# Starting H-Bond vs N-N length analysis for these values: # bond file = "UNIQUE_HBONDS.txt" # PREFIX = "LENGTH_DETAILS" # number_sims = 32 # logfile = "LENGTH_DETAILS_logfile.txt" (this file) # # number H-Bonds to consider = 469 # # HBond types are as follows: # 0 Glycan to its nearest amino acid # 1 Glycan to another Glycan # 2 Glycan to some other amino acid # 3 Amino acid to another amino acid # 4 Glycan to itself # 5 Amino acid to itself # # #======================= Per HBond statistics ===================== # # Total number of trajectory frames scanned: 317739 #Index Type Acceptor Hydrogen Donor Frames Fraction Avg N-N 1 4 0VA_12@N2 0VA_12@H3O 0VA_12@O3 31172 0.098 12.420 2 0 0VA_12@N2 OLT_5@H OLT_5@N 1 0.000 12.069 3 4 0VA_12@O2N 0VA_12@H3O 0VA_12@O3 9304 0.029 12.523 4 1 0VA_12@O2N 0VA_13@H2N 0VA_13@N2 65 0.000 12.170 5 1 0VA_12@O2N 0VA_13@H3O 0VA_13@O3 198 0.001 11.848 6 1 0VA_12@O2N 0VA_13@H6O 0VA_13@O6 82 0.000 11.781 7 1 0VA_12@O2N 0VA_14@H2N 0VA_14@N2 2330 0.007 12.280 8 1 0VA_12@O2N 0VA_14@H3O 0VA_14@O3 5488 0.017 11.715 9 1 0VA_12@O2N 0VA_14@H4O 0VA_14@O4 20 0.000 13.600 10 1 0VA_12@O2N 0VA_14@H6O 0VA_14@O6 8075 0.025 13.334 11 1 0VA_12@O2N 0VA_15@H2N 0VA_15@N2 3059 0.010 11.683 12 1 0VA_12@O2N 0VA_15@H3O 0VA_15@O3 314 0.001 10.659 13 1 0VA_12@O2N 0VA_15@H4O 0VA_15@O4 14 0.000 11.009 14 1 0VA_12@O2N 0VA_15@H6O 0VA_15@O6 231 0.001 11.199 15 2 0VA_12@O2N LYS_8@HZ2 LYS_8@NZ 1 0.000 10.011 16 2 0VA_12@O2N LYS_9@HZ1 LYS_9@NZ 3 0.000 13.509 17 2 0VA_12@O2N LYS_9@HZ2 LYS_9@NZ 5 0.000 13.765 18 2 0VA_12@O2N LYS_9@HZ3 LYS_9@NZ 3 0.000 13.318 19 2 0VA_12@O2N NHE_11@HN2 NHE_11@N 1 0.000 12.927 20 0 0VA_12@O2N OLT_4@H OLT_4@N 146 0.000 12.335 21 0 0VA_12@O2N OLT_5@H OLT_5@N 20 0.000 12.320 22 2 0VA_12@O2N OLT_6@H OLT_6@N 3112 0.010 12.390 23 2 0VA_12@O2N OLT_7@H OLT_7@N 1114 0.004 11.574 24 4 0VA_12@O3 0VA_12@H2N 0VA_12@N2 3553 0.011 12.235 25 4 0VA_12@O3 0VA_12@H4O 0VA_12@O4 93433 0.294 12.399 26 1 0VA_12@O3 0VA_13@H6O 0VA_13@O6 17 0.000 12.013 27 1 0VA_12@O3 0VA_14@H3O 0VA_14@O3 3 0.000 12.336 28 1 0VA_12@O3 0VA_14@H6O 0VA_14@O6 260 0.001 13.470 29 1 0VA_12@O3 0VA_15@H3O 0VA_15@O3 432 0.001 11.930 30 1 0VA_12@O3 0VA_15@H6O 0VA_15@O6 87 0.000 11.664 31 4 0VA_12@O4 0VA_12@H3O 0VA_12@O3 22093 0.070 12.331 32 4 0VA_12@O4 0VA_12@H6O 0VA_12@O6 15150 0.048 12.340 33 1 0VA_12@O4 0VA_13@H3O 0VA_13@O3 20 0.000 12.453 34 1 0VA_12@O4 0VA_13@H6O 0VA_13@O6 51 0.000 11.889 35 1 0VA_12@O4 0VA_14@H2N 0VA_14@N2 1 0.000 12.015 36 1 0VA_12@O4 0VA_14@H3O 0VA_14@O3 3166 0.010 12.147 37 1 0VA_12@O4 0VA_14@H4O 0VA_14@O4 26 0.000 13.898 38 1 0VA_12@O4 0VA_14@H6O 0VA_14@O6 614 0.002 13.268 39 1 0VA_12@O4 0VA_15@H2N 0VA_15@N2 13 0.000 12.049 40 1 0VA_12@O4 0VA_15@H3O 0VA_15@O3 573 0.002 12.379 41 1 0VA_12@O4 0VA_15@H4O 0VA_15@O4 1 0.000 10.967 42 1 0VA_12@O4 0VA_15@H6O 0VA_15@O6 2357 0.007 11.529 43 2 0VA_12@O4 LYS_9@HZ2 LYS_9@NZ 5 0.000 13.101 44 2 0VA_12@O4 LYS_9@HZ3 LYS_9@NZ 4 0.000 12.930 45 2 0VA_12@O4 NHE_11@HN1 NHE_11@N 4 0.000 13.707 46 2 0VA_12@O4 NHE_11@HN2 NHE_11@N 3 0.000 13.893 47 4 0VA_12@O5 0VA_12@H4O 0VA_12@O4 5076 0.016 12.355 48 4 0VA_12@O5 0VA_12@H6O 0VA_12@O6 60514 0.190 12.385 49 1 0VA_12@O5 0VA_13@H2N 0VA_13@N2 3 0.000 12.527 50 1 0VA_12@O5 0VA_13@H3O 0VA_13@O3 14 0.000 12.516 51 1 0VA_12@O5 0VA_13@H6O 0VA_13@O6 1 0.000 11.992 52 1 0VA_12@O5 0VA_14@H2N 0VA_14@N2 15 0.000 11.208 53 1 0VA_12@O5 0VA_14@H3O 0VA_14@O3 1029 0.003 11.551 54 1 0VA_12@O5 0VA_14@H4O 0VA_14@O4 6 0.000 13.716 55 1 0VA_12@O5 0VA_14@H6O 0VA_14@O6 57 0.000 12.553 56 1 0VA_12@O5 0VA_15@H3O 0VA_15@O3 37 0.000 13.032 57 1 0VA_12@O5 0VA_15@H6O 0VA_15@O6 78 0.000 11.811 58 0 0VA_12@O5 OLT_4@H OLT_4@N 3 0.000 12.401 59 4 0VA_12@O6 0VA_12@H4O 0VA_12@O4 16930 0.053 12.336 60 1 0VA_12@O6 0VA_13@H2N 0VA_13@N2 4 0.000 12.627 61 1 0VA_12@O6 0VA_13@H3O 0VA_13@O3 160 0.001 12.635 62 1 0VA_12@O6 0VA_13@H6O 0VA_13@O6 9 0.000 12.645 63 1 0VA_12@O6 0VA_14@H3O 0VA_14@O3 438 0.001 11.575 64 1 0VA_12@O6 0VA_14@H4O 0VA_14@O4 22 0.000 11.799 65 1 0VA_12@O6 0VA_14@H6O 0VA_14@O6 86 0.000 12.297 66 1 0VA_12@O6 0VA_15@H2N 0VA_15@N2 26 0.000 12.526 67 1 0VA_12@O6 0VA_15@H3O 0VA_15@O3 61 0.000 12.863 68 1 0VA_12@O6 0VA_15@H4O 0VA_15@O4 7 0.000 13.371 69 1 0VA_12@O6 0VA_15@H6O 0VA_15@O6 206 0.001 12.099 70 2 0VA_12@O6 LYS_9@HZ1 LYS_9@NZ 1 0.000 10.697 71 2 0VA_12@O6 OLT_7@H OLT_7@N 58 0.000 12.372 72 4 0VA_13@N2 0VA_13@H3O 0VA_13@O3 34999 0.110 12.378 73 1 0VA_13@O2N 0VA_12@H6O 0VA_12@O6 1069 0.003 12.266 74 4 0VA_13@O2N 0VA_13@H3O 0VA_13@O3 10782 0.034 12.316 75 1 0VA_13@O2N 0VA_14@H3O 0VA_14@O3 3 0.000 11.520 76 1 0VA_13@O2N 0VA_14@H6O 0VA_14@O6 28 0.000 9.974 77 1 0VA_13@O2N 0VA_15@H2N 0VA_15@N2 2806 0.009 12.928 78 1 0VA_13@O2N 0VA_15@H3O 0VA_15@O3 1578 0.005 12.521 79 1 0VA_13@O2N 0VA_15@H6O 0VA_15@O6 9859 0.031 12.993 80 2 0VA_13@O2N LYS_8@H LYS_8@N 1532 0.005 10.742 81 2 0VA_13@O2N LYS_8@HZ1 LYS_8@NZ 1098 0.003 11.713 82 2 0VA_13@O2N LYS_8@HZ2 LYS_8@NZ 1139 0.004 11.809 83 2 0VA_13@O2N LYS_8@HZ3 LYS_8@NZ 1145 0.004 11.684 84 2 0VA_13@O2N LYS_9@H LYS_9@N 82 0.000 11.335 85 2 0VA_13@O2N LYS_9@HZ1 LYS_9@NZ 8 0.000 11.768 86 2 0VA_13@O2N LYS_9@HZ2 LYS_9@NZ 9 0.000 11.685 87 2 0VA_13@O2N LYS_9@HZ3 LYS_9@NZ 8 0.000 11.471 88 2 0VA_13@O2N NHE_11@HN1 NHE_11@N 2 0.000 10.284 89 2 0VA_13@O2N NHE_11@HN2 NHE_11@N 1 0.000 11.498 90 0 0VA_13@O2N OLT_5@H OLT_5@N 211 0.001 12.834 91 2 0VA_13@O2N OLT_7@H OLT_7@N 2485 0.008 12.959 92 1 0VA_13@O3 0VA_12@H4O 0VA_12@O4 1 0.000 13.191 93 1 0VA_13@O3 0VA_12@H6O 0VA_12@O6 80 0.000 12.621 94 4 0VA_13@O3 0VA_13@H2N 0VA_13@N2 2403 0.008 12.560 95 4 0VA_13@O3 0VA_13@H4O 0VA_13@O4 98003 0.308 12.401 96 1 0VA_13@O3 0VA_14@H6O 0VA_14@O6 67 0.000 8.066 97 1 0VA_13@O3 0VA_15@H3O 0VA_15@O3 9 0.000 13.392 98 1 0VA_13@O3 0VA_15@H6O 0VA_15@O6 113 0.000 13.486 99 2 0VA_13@O3 LYS_8@HZ1 LYS_8@NZ 736 0.002 11.662 100 2 0VA_13@O3 LYS_8@HZ2 LYS_8@NZ 760 0.002 11.630 101 2 0VA_13@O3 LYS_8@HZ3 LYS_8@NZ 728 0.002 11.647 102 2 0VA_13@O3 LYS_9@HZ1 LYS_9@NZ 42 0.000 11.403 103 2 0VA_13@O3 LYS_9@HZ2 LYS_9@NZ 51 0.000 11.516 104 2 0VA_13@O3 LYS_9@HZ3 LYS_9@NZ 42 0.000 11.619 105 4 0VA_13@O4 0VA_13@H3O 0VA_13@O3 19487 0.061 12.356 106 4 0VA_13@O4 0VA_13@H6O 0VA_13@O6 15636 0.049 12.336 107 1 0VA_13@O4 0VA_14@H3O 0VA_14@O3 138 0.000 11.480 108 1 0VA_13@O4 0VA_14@H6O 0VA_14@O6 1 0.000 9.555 109 1 0VA_13@O4 0VA_15@H3O 0VA_15@O3 761 0.002 12.935 110 1 0VA_13@O4 0VA_15@H4O 0VA_15@O4 27 0.000 12.254 111 1 0VA_13@O4 0VA_15@H6O 0VA_15@O6 502 0.002 13.314 112 2 0VA_13@O4 LYS_8@H LYS_8@N 45 0.000 10.787 113 2 0VA_13@O4 LYS_8@HZ1 LYS_8@NZ 496 0.002 11.814 114 2 0VA_13@O4 LYS_8@HZ2 LYS_8@NZ 470 0.001 11.813 115 2 0VA_13@O4 LYS_8@HZ3 LYS_8@NZ 475 0.001 11.787 116 2 0VA_13@O4 LYS_9@HZ1 LYS_9@NZ 208 0.001 12.441 117 2 0VA_13@O4 LYS_9@HZ2 LYS_9@NZ 193 0.001 12.493 118 2 0VA_13@O4 LYS_9@HZ3 LYS_9@NZ 172 0.001 12.450 119 4 0VA_13@O5 0VA_13@H4O 0VA_13@O4 3987 0.013 12.371 120 4 0VA_13@O5 0VA_13@H6O 0VA_13@O6 58204 0.183 12.409 121 1 0VA_13@O5 0VA_14@H2N 0VA_14@N2 102 0.000 10.800 122 1 0VA_13@O5 0VA_14@H3O 0VA_14@O3 157 0.000 11.555 123 1 0VA_13@O5 0VA_15@H2N 0VA_15@N2 36 0.000 12.276 124 1 0VA_13@O5 0VA_15@H3O 0VA_15@O3 694 0.002 11.959 125 1 0VA_13@O5 0VA_15@H6O 0VA_15@O6 17 0.000 12.939 126 2 0VA_13@O5 LYS_8@HZ1 LYS_8@NZ 54 0.000 12.121 127 2 0VA_13@O5 LYS_8@HZ2 LYS_8@NZ 61 0.000 12.047 128 2 0VA_13@O5 LYS_8@HZ3 LYS_8@NZ 57 0.000 11.993 129 2 0VA_13@O5 LYS_9@HZ1 LYS_9@NZ 60 0.000 12.512 130 2 0VA_13@O5 LYS_9@HZ2 LYS_9@NZ 70 0.000 12.521 131 2 0VA_13@O5 LYS_9@HZ3 LYS_9@NZ 68 0.000 12.439 132 2 0VA_13@O5 NHE_11@HN1 NHE_11@N 7 0.000 12.777 133 2 0VA_13@O5 NHE_11@HN2 NHE_11@N 6 0.000 12.862 134 1 0VA_13@O6 0VA_12@H3O 0VA_12@O3 107 0.000 11.577 135 1 0VA_13@O6 0VA_12@H4O 0VA_12@O4 4 0.000 12.028 136 1 0VA_13@O6 0VA_12@H6O 0VA_12@O6 43 0.000 12.012 137 4 0VA_13@O6 0VA_13@H4O 0VA_13@O4 16776 0.053 12.316 138 1 0VA_13@O6 0VA_14@H2N 0VA_14@N2 75 0.000 12.538 139 1 0VA_13@O6 0VA_14@H3O 0VA_14@O3 2103 0.007 11.383 140 1 0VA_13@O6 0VA_14@H4O 0VA_14@O4 1 0.000 11.008 141 1 0VA_13@O6 0VA_14@H6O 0VA_14@O6 4 0.000 11.476 142 1 0VA_13@O6 0VA_15@H3O 0VA_15@O3 227 0.001 11.998 143 1 0VA_13@O6 0VA_15@H4O 0VA_15@O4 5 0.000 11.852 144 1 0VA_13@O6 0VA_15@H6O 0VA_15@O6 35 0.000 12.644 145 2 0VA_13@O6 LYS_8@H LYS_8@N 54 0.000 11.332 146 2 0VA_13@O6 LYS_8@HZ1 LYS_8@NZ 398 0.001 12.215 147 2 0VA_13@O6 LYS_8@HZ2 LYS_8@NZ 471 0.001 12.183 148 2 0VA_13@O6 LYS_8@HZ3 LYS_8@NZ 409 0.001 12.146 149 2 0VA_13@O6 LYS_9@H LYS_9@N 8 0.000 11.398 150 2 0VA_13@O6 LYS_9@HZ1 LYS_9@NZ 471 0.001 12.421 151 2 0VA_13@O6 LYS_9@HZ2 LYS_9@NZ 489 0.002 12.458 152 2 0VA_13@O6 LYS_9@HZ3 LYS_9@NZ 484 0.002 12.308 153 2 0VA_13@O6 NHE_11@HN1 NHE_11@N 35 0.000 12.135 154 2 0VA_13@O6 NHE_11@HN2 NHE_11@N 9 0.000 11.961 155 1 0VA_14@N2 0VA_13@H6O 0VA_13@O6 3 0.000 12.072 156 4 0VA_14@N2 0VA_14@H3O 0VA_14@O3 33128 0.104 12.339 157 1 0VA_14@O2N 0VA_12@H6O 0VA_12@O6 302 0.001 13.591 158 1 0VA_14@O2N 0VA_13@H6O 0VA_13@O6 3148 0.010 12.280 159 4 0VA_14@O2N 0VA_14@H3O 0VA_14@O3 9628 0.030 12.253 160 1 0VA_14@O2N 0VA_15@H6O 0VA_15@O6 11 0.000 12.407 161 2 0VA_14@O2N LYS_8@H LYS_8@N 247 0.001 12.907 162 2 0VA_14@O2N LYS_8@HZ1 LYS_8@NZ 2700 0.008 12.463 163 2 0VA_14@O2N LYS_8@HZ2 LYS_8@NZ 2852 0.009 12.462 164 2 0VA_14@O2N LYS_8@HZ3 LYS_8@NZ 2904 0.009 12.443 165 2 0VA_14@O2N LYS_9@H LYS_9@N 9740 0.031 12.561 166 2 0VA_14@O2N LYS_9@HZ1 LYS_9@NZ 3062 0.010 12.372 167 2 0VA_14@O2N LYS_9@HZ2 LYS_9@NZ 2909 0.009 12.332 168 2 0VA_14@O2N LYS_9@HZ3 LYS_9@NZ 3024 0.010 12.295 169 2 0VA_14@O2N NHE_11@HN1 NHE_11@N 26 0.000 12.101 170 2 0VA_14@O2N NHE_11@HN2 NHE_11@N 117 0.000 11.964 171 2 0VA_14@O2N OLT_5@H OLT_5@N 3 0.000 13.832 172 0 0VA_14@O2N OLT_6@H OLT_6@N 514 0.002 11.734 173 1 0VA_14@O3 0VA_12@H3O 0VA_12@O3 2 0.000 13.169 174 1 0VA_14@O3 0VA_12@H4O 0VA_12@O4 54 0.000 12.146 175 1 0VA_14@O3 0VA_12@H6O 0VA_12@O6 1234 0.004 11.462 176 1 0VA_14@O3 0VA_13@H6O 0VA_13@O6 1370 0.004 11.272 177 4 0VA_14@O3 0VA_14@H2N 0VA_14@N2 2544 0.008 12.318 178 4 0VA_14@O3 0VA_14@H4O 0VA_14@O4 95929 0.302 12.380 179 2 0VA_14@O3 LYS_8@HZ1 LYS_8@NZ 14 0.000 12.804 180 2 0VA_14@O3 LYS_8@HZ2 LYS_8@NZ 27 0.000 12.568 181 2 0VA_14@O3 LYS_8@HZ3 LYS_8@NZ 31 0.000 12.420 182 2 0VA_14@O3 LYS_9@HZ1 LYS_9@NZ 1316 0.004 12.245 183 2 0VA_14@O3 LYS_9@HZ2 LYS_9@NZ 1428 0.004 12.184 184 2 0VA_14@O3 LYS_9@HZ3 LYS_9@NZ 1443 0.005 12.311 185 2 0VA_14@O3 NHE_11@HN1 NHE_11@N 3 0.000 13.265 186 2 0VA_14@O3 NHE_11@HN2 NHE_11@N 27 0.000 13.039 187 1 0VA_14@O4 0VA_12@H4O 0VA_12@O4 32 0.000 13.719 188 1 0VA_14@O4 0VA_12@H6O 0VA_12@O6 3 0.000 12.346 189 1 0VA_14@O4 0VA_13@H6O 0VA_13@O6 1 0.000 11.097 190 4 0VA_14@O4 0VA_14@H3O 0VA_14@O3 18661 0.059 12.374 191 4 0VA_14@O4 0VA_14@H6O 0VA_14@O6 18932 0.060 12.404 192 1 0VA_14@O4 0VA_15@H3O 0VA_15@O3 59 0.000 11.507 193 2 0VA_14@O4 LYS_8@HZ1 LYS_8@NZ 257 0.001 12.610 194 2 0VA_14@O4 LYS_8@HZ2 LYS_8@NZ 274 0.001 12.625 195 2 0VA_14@O4 LYS_8@HZ3 LYS_8@NZ 274 0.001 12.594 196 2 0VA_14@O4 LYS_9@H LYS_9@N 2 0.000 11.293 197 2 0VA_14@O4 LYS_9@HZ1 LYS_9@NZ 1788 0.006 12.451 198 2 0VA_14@O4 LYS_9@HZ2 LYS_9@NZ 1810 0.006 12.454 199 2 0VA_14@O4 LYS_9@HZ3 LYS_9@NZ 1805 0.006 12.460 200 2 0VA_14@O4 NHE_11@HN1 NHE_11@N 420 0.001 12.354 201 2 0VA_14@O4 NHE_11@HN2 NHE_11@N 126 0.000 12.578 202 1 0VA_14@O5 0VA_13@H6O 0VA_13@O6 3 0.000 11.564 203 4 0VA_14@O5 0VA_14@H4O 0VA_14@O4 3912 0.012 12.387 204 4 0VA_14@O5 0VA_14@H6O 0VA_14@O6 53712 0.169 12.381 205 1 0VA_14@O5 0VA_15@H2N 0VA_15@N2 19 0.000 11.789 206 1 0VA_14@O5 0VA_15@H3O 0VA_15@O3 70 0.000 11.986 207 2 0VA_14@O5 LYS_8@HZ1 LYS_8@NZ 9 0.000 12.968 208 2 0VA_14@O5 LYS_8@HZ2 LYS_8@NZ 14 0.000 12.441 209 2 0VA_14@O5 LYS_8@HZ3 LYS_8@NZ 9 0.000 12.702 210 2 0VA_14@O5 LYS_9@HZ1 LYS_9@NZ 433 0.001 12.225 211 2 0VA_14@O5 LYS_9@HZ2 LYS_9@NZ 414 0.001 12.128 212 2 0VA_14@O5 LYS_9@HZ3 LYS_9@NZ 465 0.001 12.297 213 2 0VA_14@O5 NHE_11@HN1 NHE_11@N 922 0.003 12.344 214 2 0VA_14@O5 NHE_11@HN2 NHE_11@N 301 0.001 11.663 215 0 0VA_14@O5 OLT_6@H OLT_6@N 6 0.000 11.907 216 1 0VA_14@O6 0VA_12@H2N 0VA_12@N2 2 0.000 13.242 217 1 0VA_14@O6 0VA_12@H3O 0VA_12@O3 358 0.001 13.477 218 1 0VA_14@O6 0VA_12@H4O 0VA_12@O4 1034 0.003 13.349 219 1 0VA_14@O6 0VA_12@H6O 0VA_12@O6 600 0.002 12.101 220 1 0VA_14@O6 0VA_13@H3O 0VA_13@O3 60 0.000 8.626 221 1 0VA_14@O6 0VA_13@H6O 0VA_13@O6 6 0.000 11.378 222 4 0VA_14@O6 0VA_14@H4O 0VA_14@O4 20484 0.064 12.400 223 1 0VA_14@O6 0VA_15@H2N 0VA_15@N2 64 0.000 11.854 224 1 0VA_14@O6 0VA_15@H3O 0VA_15@O3 562 0.002 11.971 225 2 0VA_14@O6 LYS_8@HZ1 LYS_8@NZ 29 0.000 12.786 226 2 0VA_14@O6 LYS_8@HZ2 LYS_8@NZ 36 0.000 12.277 227 2 0VA_14@O6 LYS_8@HZ3 LYS_8@NZ 41 0.000 12.351 228 2 0VA_14@O6 LYS_9@H LYS_9@N 38 0.000 12.207 229 2 0VA_14@O6 LYS_9@HZ1 LYS_9@NZ 2310 0.007 12.382 230 2 0VA_14@O6 LYS_9@HZ2 LYS_9@NZ 2197 0.007 12.378 231 2 0VA_14@O6 LYS_9@HZ3 LYS_9@NZ 2265 0.007 12.428 232 2 0VA_14@O6 NHE_11@HN1 NHE_11@N 395 0.001 12.435 233 2 0VA_14@O6 NHE_11@HN2 NHE_11@N 43 0.000 12.475 234 1 0VA_15@N2 0VA_12@H3O 0VA_12@O3 1 0.000 11.895 235 1 0VA_15@N2 0VA_12@H4O 0VA_12@O4 2 0.000 12.153 236 1 0VA_15@N2 0VA_14@H6O 0VA_14@O6 1 0.000 11.601 237 4 0VA_15@N2 0VA_15@H3O 0VA_15@O3 34160 0.108 12.373 238 1 0VA_15@O2N 0VA_12@H6O 0VA_12@O6 16 0.000 11.868 239 1 0VA_15@O2N 0VA_13@H4O 0VA_13@O4 146 0.000 12.407 240 1 0VA_15@O2N 0VA_13@H6O 0VA_13@O6 98 0.000 12.392 241 1 0VA_15@O2N 0VA_14@H6O 0VA_14@O6 2442 0.008 12.232 242 4 0VA_15@O2N 0VA_15@H3O 0VA_15@O3 9416 0.030 12.361 243 0 0VA_15@O2N LYS_8@H LYS_8@N 6 0.000 11.934 244 2 0VA_15@O2N LYS_8@HZ1 LYS_8@NZ 150 0.000 12.626 245 2 0VA_15@O2N LYS_8@HZ2 LYS_8@NZ 143 0.000 12.624 246 2 0VA_15@O2N LYS_8@HZ3 LYS_8@NZ 139 0.000 12.715 247 2 0VA_15@O2N LYS_9@H LYS_9@N 159 0.001 12.377 248 2 0VA_15@O2N LYS_9@HZ1 LYS_9@NZ 4140 0.013 12.393 249 2 0VA_15@O2N LYS_9@HZ2 LYS_9@NZ 4181 0.013 12.363 250 2 0VA_15@O2N LYS_9@HZ3 LYS_9@NZ 4230 0.013 12.322 251 2 0VA_15@O2N NHE_11@HN1 NHE_11@N 359 0.001 12.554 252 2 0VA_15@O2N NHE_11@HN2 NHE_11@N 41 0.000 12.366 253 2 0VA_15@O2N OLT_6@H OLT_6@N 1 0.000 13.130 254 0 0VA_15@O2N OLT_7@H OLT_7@N 110 0.000 12.184 255 1 0VA_15@O3 0VA_12@H3O 0VA_12@O3 282 0.001 11.912 256 1 0VA_15@O3 0VA_12@H4O 0VA_12@O4 59 0.000 12.305 257 1 0VA_15@O3 0VA_12@H6O 0VA_12@O6 98 0.000 13.168 258 1 0VA_15@O3 0VA_13@H3O 0VA_13@O3 4 0.000 13.485 259 1 0VA_15@O3 0VA_13@H4O 0VA_13@O4 8 0.000 12.869 260 1 0VA_15@O3 0VA_13@H6O 0VA_13@O6 842 0.003 12.036 261 1 0VA_15@O3 0VA_14@H4O 0VA_14@O4 3 0.000 12.264 262 1 0VA_15@O3 0VA_14@H6O 0VA_14@O6 388 0.001 11.877 263 4 0VA_15@O3 0VA_15@H2N 0VA_15@N2 1032 0.003 12.232 264 4 0VA_15@O3 0VA_15@H4O 0VA_15@O4 99584 0.313 12.378 265 2 0VA_15@O3 LYS_8@HZ1 LYS_8@NZ 19 0.000 12.301 266 2 0VA_15@O3 LYS_8@HZ2 LYS_8@NZ 21 0.000 12.185 267 2 0VA_15@O3 LYS_8@HZ3 LYS_8@NZ 19 0.000 12.295 268 2 0VA_15@O3 LYS_9@HZ1 LYS_9@NZ 115 0.000 12.153 269 2 0VA_15@O3 LYS_9@HZ2 LYS_9@NZ 117 0.000 12.031 270 2 0VA_15@O3 LYS_9@HZ3 LYS_9@NZ 127 0.000 12.186 271 1 0VA_15@O4 0VA_12@H6O 0VA_12@O6 3 0.000 13.243 272 1 0VA_15@O4 0VA_13@H4O 0VA_13@O4 57 0.000 12.745 273 4 0VA_15@O4 0VA_15@H3O 0VA_15@O3 19550 0.062 12.359 274 4 0VA_15@O4 0VA_15@H6O 0VA_15@O6 18771 0.059 12.438 275 2 0VA_15@O4 LYS_8@HZ1 LYS_8@NZ 270 0.001 12.585 276 2 0VA_15@O4 LYS_8@HZ2 LYS_8@NZ 269 0.001 12.612 277 2 0VA_15@O4 LYS_8@HZ3 LYS_8@NZ 248 0.001 12.511 278 2 0VA_15@O4 LYS_9@HZ1 LYS_9@NZ 403 0.001 12.189 279 2 0VA_15@O4 LYS_9@HZ2 LYS_9@NZ 367 0.001 12.199 280 2 0VA_15@O4 LYS_9@HZ3 LYS_9@NZ 384 0.001 12.141 281 2 0VA_15@O4 NHE_11@HN1 NHE_11@N 671 0.002 12.312 282 2 0VA_15@O4 NHE_11@HN2 NHE_11@N 70 0.000 12.569 283 1 0VA_15@O5 0VA_12@H4O 0VA_12@O4 1 0.000 11.814 284 1 0VA_15@O5 0VA_13@H4O 0VA_13@O4 51 0.000 12.274 285 1 0VA_15@O5 0VA_13@H6O 0VA_13@O6 2 0.000 12.121 286 4 0VA_15@O5 0VA_15@H4O 0VA_15@O4 3559 0.011 12.394 287 4 0VA_15@O5 0VA_15@H6O 0VA_15@O6 62757 0.198 12.348 288 2 0VA_15@O5 LYS_8@HZ1 LYS_8@NZ 276 0.001 12.672 289 2 0VA_15@O5 LYS_8@HZ2 LYS_8@NZ 271 0.001 12.491 290 2 0VA_15@O5 LYS_8@HZ3 LYS_8@NZ 263 0.001 12.558 291 2 0VA_15@O5 LYS_9@H LYS_9@N 9 0.000 11.885 292 2 0VA_15@O5 LYS_9@HZ1 LYS_9@NZ 17 0.000 12.811 293 2 0VA_15@O5 LYS_9@HZ2 LYS_9@NZ 28 0.000 12.168 294 2 0VA_15@O5 LYS_9@HZ3 LYS_9@NZ 24 0.000 12.487 295 2 0VA_15@O5 NHE_11@HN1 NHE_11@N 64 0.000 12.267 296 2 0VA_15@O5 NHE_11@HN2 NHE_11@N 2 0.000 12.665 297 1 0VA_15@O6 0VA_12@H2N 0VA_12@N2 1 0.000 11.144 298 1 0VA_15@O6 0VA_12@H3O 0VA_12@O3 160 0.001 11.520 299 1 0VA_15@O6 0VA_12@H4O 0VA_12@O4 930 0.003 11.809 300 1 0VA_15@O6 0VA_12@H6O 0VA_12@O6 464 0.001 11.990 301 1 0VA_15@O6 0VA_13@H3O 0VA_13@O3 227 0.001 13.396 302 1 0VA_15@O6 0VA_13@H4O 0VA_13@O4 710 0.002 13.368 303 1 0VA_15@O6 0VA_13@H6O 0VA_13@O6 110 0.000 12.513 304 1 0VA_15@O6 0VA_14@H3O 0VA_14@O3 2 0.000 11.772 305 4 0VA_15@O6 0VA_15@H4O 0VA_15@O4 16794 0.053 12.420 306 2 0VA_15@O6 LYS_8@HZ1 LYS_8@NZ 426 0.001 12.569 307 2 0VA_15@O6 LYS_8@HZ2 LYS_8@NZ 467 0.001 12.541 308 2 0VA_15@O6 LYS_8@HZ3 LYS_8@NZ 426 0.001 12.454 309 2 0VA_15@O6 LYS_9@HZ1 LYS_9@NZ 131 0.000 12.503 310 2 0VA_15@O6 LYS_9@HZ2 LYS_9@NZ 112 0.000 12.454 311 2 0VA_15@O6 LYS_9@HZ3 LYS_9@NZ 113 0.000 12.513 312 2 0VA_15@O6 NHE_11@HN1 NHE_11@N 472 0.001 12.609 313 2 0VA_15@O6 NHE_11@HN2 NHE_11@N 8 0.000 12.625 314 2 ACE_1@O 0VA_12@H2N 0VA_12@N2 15105 0.048 12.128 315 2 ACE_1@O 0VA_12@H3O 0VA_12@O3 155 0.000 12.236 316 2 ACE_1@O 0VA_12@H6O 0VA_12@O6 244 0.001 12.244 317 2 ACE_1@O 0VA_13@H3O 0VA_13@O3 323 0.001 12.061 318 2 ACE_1@O 0VA_13@H6O 0VA_13@O6 303 0.001 11.492 319 2 ACE_1@O 0VA_14@H3O 0VA_14@O3 5 0.000 12.821 320 3 ACE_1@O OLT_4@H OLT_4@N 17614 0.055 11.969 321 3 ACE_1@O OLT_5@H OLT_5@N 1382 0.004 11.640 322 2 LYS_8@N 0VA_13@H6O 0VA_13@O6 1 0.000 10.685 323 3 LYS_8@N LYS_9@H LYS_9@N 37480 0.118 12.382 324 3 LYS_8@N OLT_7@H OLT_7@N 3 0.000 12.255 325 2 LYS_8@NZ 0VA_13@H4O 0VA_13@O4 7 0.000 11.437 326 2 LYS_8@O 0VA_14@H4O 0VA_14@O4 2 0.000 11.991 327 2 LYS_8@O 0VA_14@H6O 0VA_14@O6 54 0.000 12.359 328 2 LYS_8@O 0VA_15@H2N 0VA_15@N2 219 0.001 12.320 329 2 LYS_8@O 0VA_15@H3O 0VA_15@O3 20 0.000 12.246 330 2 LYS_8@O 0VA_15@H6O 0VA_15@O6 11960 0.038 12.324 331 5 LYS_8@O LYS_8@H LYS_8@N 1202 0.004 12.063 332 5 LYS_8@O LYS_8@HZ1 LYS_8@NZ 31 0.000 12.436 333 5 LYS_8@O LYS_8@HZ2 LYS_8@NZ 33 0.000 12.030 334 5 LYS_8@O LYS_8@HZ3 LYS_8@NZ 28 0.000 12.027 335 3 LYS_8@O LYS_9@HZ1 LYS_9@NZ 15 0.000 11.796 336 3 LYS_8@O LYS_9@HZ2 LYS_9@NZ 10 0.000 12.086 337 3 LYS_8@O LYS_9@HZ3 LYS_9@NZ 11 0.000 11.859 338 3 LYS_9@N LYS_8@H LYS_8@N 145 0.000 12.279 339 2 LYS_9@NZ 0VA_13@H4O 0VA_13@O4 1 0.000 12.854 340 2 LYS_9@NZ 0VA_13@H6O 0VA_13@O6 1 0.000 11.194 341 2 LYS_9@NZ 0VA_14@H4O 0VA_14@O4 4 0.000 12.699 342 2 LYS_9@NZ 0VA_14@H6O 0VA_14@O6 7 0.000 12.386 343 2 LYS_9@NZ 0VA_15@H4O 0VA_15@O4 1 0.000 13.517 344 2 LYS_9@O 0VA_13@H4O 0VA_13@O4 1 0.000 10.339 345 2 LYS_9@O 0VA_13@H6O 0VA_13@O6 65 0.000 11.920 346 2 LYS_9@O 0VA_14@H3O 0VA_14@O3 51 0.000 13.025 347 2 LYS_9@O 0VA_14@H4O 0VA_14@O4 147 0.000 13.030 348 2 LYS_9@O 0VA_14@H6O 0VA_14@O6 57 0.000 11.572 349 2 LYS_9@O 0VA_15@H2N 0VA_15@N2 1 0.000 12.961 350 2 LYS_9@O 0VA_15@H4O 0VA_15@O4 35 0.000 13.106 351 2 LYS_9@O 0VA_15@H6O 0VA_15@O6 182 0.001 12.277 352 3 LYS_9@O LYS_8@HZ1 LYS_8@NZ 3993 0.013 12.359 353 3 LYS_9@O LYS_8@HZ2 LYS_8@NZ 4085 0.013 12.351 354 3 LYS_9@O LYS_8@HZ3 LYS_8@NZ 4094 0.013 12.354 355 5 LYS_9@O LYS_9@H LYS_9@N 12251 0.039 12.301 356 5 LYS_9@O LYS_9@HZ1 LYS_9@NZ 38 0.000 12.985 357 5 LYS_9@O LYS_9@HZ2 LYS_9@NZ 32 0.000 12.815 358 5 LYS_9@O LYS_9@HZ3 LYS_9@NZ 22 0.000 12.974 359 3 LYS_9@O NHE_11@HN1 NHE_11@N 849 0.003 12.386 360 2 NHE_11@N 0VA_13@H6O 0VA_13@O6 1 0.000 12.567 361 2 NHE_11@N 0VA_14@H3O 0VA_14@O3 1 0.000 13.715 362 2 NHE_11@N 0VA_14@H4O 0VA_14@O4 13 0.000 12.599 363 2 NHE_11@N 0VA_14@H6O 0VA_14@O6 13 0.000 12.607 364 2 NHE_11@N 0VA_15@H4O 0VA_15@O4 4 0.000 12.581 365 2 NHE_11@N 0VA_15@H6O 0VA_15@O6 15 0.000 12.665 366 3 NHE_11@N LYS_8@HZ1 LYS_8@NZ 1 0.000 13.002 367 3 NHE_11@N LYS_8@HZ3 LYS_8@NZ 2 0.000 12.596 368 3 OLT_4@N OLT_5@H OLT_5@N 88369 0.278 11.834 369 0 OLT_4@O 0VA_12@H2N 0VA_12@N2 12757 0.040 12.506 370 0 OLT_4@O 0VA_12@H6O 0VA_12@O6 78 0.000 11.722 371 2 OLT_4@O 0VA_13@H2N 0VA_13@N2 900 0.003 12.111 372 2 OLT_4@O 0VA_14@H2N 0VA_14@N2 2828 0.009 11.796 373 2 OLT_4@O 0VA_14@H3O 0VA_14@O3 388 0.001 12.841 374 2 OLT_4@O 0VA_14@H6O 0VA_14@O6 264 0.001 12.795 375 2 OLT_4@O 0VA_15@H2N 0VA_15@N2 1 0.000 9.850 376 2 OLT_4@O 0VA_15@H3O 0VA_15@O3 56 0.000 9.699 377 2 OLT_4@O 0VA_15@H6O 0VA_15@O6 33 0.000 10.360 378 0 OLT_4@OG1 0VA_12@H2N 0VA_12@N2 62071 0.195 12.418 379 5 OLT_4@OG1 OLT_4@H OLT_4@N 82654 0.260 12.415 380 3 OLT_4@OG1 OLT_5@H OLT_5@N 144 0.000 12.076 381 5 OLT_4@O OLT_4@H OLT_4@N 6321 0.020 12.560 382 3 OLT_4@O OLT_6@H OLT_6@N 14556 0.046 11.501 383 3 OLT_4@O OLT_7@H OLT_7@N 4 0.000 9.908 384 3 OLT_5@N OLT_4@H OLT_4@N 112 0.000 11.713 385 3 OLT_5@N OLT_6@H OLT_6@N 15736 0.050 11.084 386 2 OLT_5@O 0VA_12@H2N 0VA_12@N2 43 0.000 12.259 387 2 OLT_5@O 0VA_12@H6O 0VA_12@O6 4069 0.013 12.683 388 0 OLT_5@O 0VA_13@H2N 0VA_13@N2 14415 0.045 12.351 389 2 OLT_5@O 0VA_14@H2N 0VA_14@N2 912 0.003 13.174 390 2 OLT_5@O 0VA_15@H2N 0VA_15@N2 2056 0.006 11.450 391 2 OLT_5@O 0VA_15@H3O 0VA_15@O3 93 0.000 13.257 392 2 OLT_5@O 0VA_15@H6O 0VA_15@O6 24 0.000 13.344 393 0 OLT_5@OG1 0VA_13@H2N 0VA_13@N2 74663 0.235 12.326 394 5 OLT_5@OG1 OLT_5@H OLT_5@N 115752 0.364 12.215 395 3 OLT_5@OG1 OLT_6@H OLT_6@N 5 0.000 8.722 396 5 OLT_5@O OLT_5@H OLT_5@N 4512 0.014 12.770 397 3 OLT_5@O OLT_7@H OLT_7@N 5199 0.016 11.784 398 3 OLT_6@N OLT_5@H OLT_5@N 13 0.000 10.753 399 3 OLT_6@N OLT_7@H OLT_7@N 4647 0.015 11.865 400 2 OLT_6@O 0VA_13@H2N 0VA_13@N2 42 0.000 12.285 401 2 OLT_6@O 0VA_13@H6O 0VA_13@O6 6688 0.021 12.411 402 0 OLT_6@O 0VA_14@H2N 0VA_14@N2 31321 0.099 12.261 403 0 OLT_6@O 0VA_14@H6O 0VA_14@O6 19 0.000 12.700 404 2 OLT_6@O 0VA_15@H2N 0VA_15@N2 121 0.000 11.955 405 0 OLT_6@OG1 0VA_14@H2N 0VA_14@N2 84954 0.267 12.342 406 5 OLT_6@OG1 OLT_6@H OLT_6@N 98079 0.309 12.228 407 3 OLT_6@OG1 OLT_7@H OLT_7@N 1 0.000 10.581 408 3 OLT_6@O LYS_8@H LYS_8@N 1038 0.003 10.854 409 3 OLT_6@O LYS_8@HZ1 LYS_8@NZ 97 0.000 11.976 410 3 OLT_6@O LYS_8@HZ2 LYS_8@NZ 123 0.000 11.872 411 3 OLT_6@O LYS_8@HZ3 LYS_8@NZ 85 0.000 11.921 412 3 OLT_6@O LYS_9@H LYS_9@N 68 0.000 10.942 413 3 OLT_6@O LYS_9@HZ1 LYS_9@NZ 82 0.000 12.673 414 3 OLT_6@O LYS_9@HZ2 LYS_9@NZ 88 0.000 12.188 415 3 OLT_6@O LYS_9@HZ3 LYS_9@NZ 105 0.000 12.569 416 5 OLT_6@O OLT_6@H OLT_6@N 5480 0.017 12.969 417 3 OLT_7@N LYS_8@H LYS_8@N 1593 0.005 11.574 418 3 OLT_7@N OLT_6@H OLT_6@N 30 0.000 12.771 419 2 OLT_7@O 0VA_14@H2N 0VA_14@N2 25 0.000 12.283 420 2 OLT_7@O 0VA_14@H6O 0VA_14@O6 11332 0.036 12.474 421 0 OLT_7@O 0VA_15@H2N 0VA_15@N2 26804 0.084 12.346 422 2 OLT_7@OG1 0VA_13@H6O 0VA_13@O6 1 0.000 13.206 423 0 OLT_7@OG1 0VA_15@H2N 0VA_15@N2 79326 0.250 12.390 424 3 OLT_7@OG1 LYS_8@H LYS_8@N 1493 0.005 12.237 425 5 OLT_7@OG1 OLT_7@H OLT_7@N 122014 0.384 12.356 426 3 OLT_7@O LYS_8@HZ2 LYS_8@NZ 1 0.000 12.669 427 3 OLT_7@O LYS_9@H LYS_9@N 20272 0.064 12.119 428 3 OLT_7@O LYS_9@HZ1 LYS_9@NZ 147 0.000 12.134 429 3 OLT_7@O LYS_9@HZ2 LYS_9@NZ 137 0.000 11.964 430 3 OLT_7@O LYS_9@HZ3 LYS_9@NZ 169 0.001 11.972 431 5 OLT_7@O OLT_7@H OLT_7@N 4884 0.015 12.925 432 3 PRO_10@N NHE_11@HN1 NHE_11@N 3048 0.010 12.379 433 2 PRO_10@O 0VA_13@H6O 0VA_13@O6 4 0.000 11.155 434 2 PRO_10@O 0VA_14@H3O 0VA_14@O3 325 0.001 13.185 435 2 PRO_10@O 0VA_14@H4O 0VA_14@O4 2006 0.006 13.186 436 2 PRO_10@O 0VA_14@H6O 0VA_14@O6 1202 0.004 11.702 437 2 PRO_10@O 0VA_15@H4O 0VA_15@O4 35 0.000 12.971 438 2 PRO_10@O 0VA_15@H6O 0VA_15@O6 50 0.000 12.431 439 3 PRO_10@O LYS_8@HZ1 LYS_8@NZ 2 0.000 12.959 440 3 PRO_10@O LYS_8@HZ2 LYS_8@NZ 2 0.000 13.006 441 3 PRO_10@O LYS_8@HZ3 LYS_8@NZ 5 0.000 12.616 442 3 PRO_10@O LYS_9@HZ1 LYS_9@NZ 4201 0.013 12.404 443 3 PRO_10@O LYS_9@HZ2 LYS_9@NZ 4224 0.013 12.410 444 3 PRO_10@O LYS_9@HZ3 LYS_9@NZ 4182 0.013 12.400 445 2 PRO_2@O 0VA_12@H2N 0VA_12@N2 7472 0.024 12.387 446 2 PRO_2@O 0VA_12@H3O 0VA_12@O3 262 0.001 12.561 447 2 PRO_2@O 0VA_12@H6O 0VA_12@O6 735 0.002 12.136 448 2 PRO_2@O 0VA_13@H2N 0VA_13@N2 13714 0.043 11.655 449 2 PRO_2@O 0VA_13@H3O 0VA_13@O3 241 0.001 12.994 450 2 PRO_2@O 0VA_13@H6O 0VA_13@O6 1301 0.004 10.975 451 2 PRO_2@O 0VA_14@H2N 0VA_14@N2 1 0.000 12.428 452 2 PRO_2@O 0VA_14@H3O 0VA_14@O3 123 0.000 12.176 453 2 PRO_2@O 0VA_14@H6O 0VA_14@O6 109 0.000 10.489 454 2 PRO_2@O 0VA_15@H3O 0VA_15@O3 12 0.000 10.415 455 3 PRO_2@O OLT_4@H OLT_4@N 31852 0.100 12.315 456 3 PRO_2@O OLT_5@H OLT_5@N 2172 0.007 11.691 457 3 PRO_2@O OLT_6@H OLT_6@N 39 0.000 8.600 458 3 PRO_3@N OLT_4@H OLT_4@N 85136 0.268 12.152 459 2 PRO_3@O 0VA_12@H2N 0VA_12@N2 188 0.001 12.917 460 2 PRO_3@O 0VA_13@H2N 0VA_13@N2 12191 0.038 12.046 461 2 PRO_3@O 0VA_13@H3O 0VA_13@O3 909 0.003 13.020 462 2 PRO_3@O 0VA_13@H6O 0VA_13@O6 789 0.002 12.484 463 2 PRO_3@O 0VA_14@H2N 0VA_14@N2 295 0.001 8.396 464 2 PRO_3@O 0VA_14@H3O 0VA_14@O3 91 0.000 9.677 465 2 PRO_3@O 0VA_14@H6O 0VA_14@O6 214 0.001 11.030 466 2 PRO_3@O 0VA_15@H2N 0VA_15@N2 5 0.000 9.752 467 2 PRO_3@O 0VA_15@H3O 0VA_15@O3 1043 0.003 9.906 468 3 PRO_3@O OLT_5@H OLT_5@N 37047 0.117 11.986 469 3 PRO_3@O OLT_6@H OLT_6@N 101 0.000 8.960