NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622856 | 5y22 | 36109 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 HT1 LEU 1 -10.990 6.794 -0.301 2 H2 LEU 1 HT2 LEU 1 -10.285 6.850 1.232 3 H3 LEU 1 HT3 LEU 1 -10.440 8.264 0.327 4 HA LEU 1 HA LEU 1 -12.083 8.212 2.053 5 HB2 LEU 1 HB2 LEU 1 -12.645 9.263 -0.091 6 HB3 LEU 1 HB1 LEU 1 -13.257 7.730 -0.684 7 HG LEU 1 HG LEU 1 -15.008 7.775 1.064 8 HD11 LEU 1 HD11 LEU 1 -13.912 10.523 1.642 9 HD12 LEU 1 HD12 LEU 1 -13.878 9.133 2.726 10 HD13 LEU 1 HD13 LEU 1 -15.418 9.866 2.280 11 HD21 LEU 1 HD21 LEU 1 -15.510 8.589 -1.153 12 HD22 LEU 1 HD22 LEU 1 -14.881 10.183 -0.738 13 HD23 LEU 1 HD23 LEU 1 -16.337 9.578 0.051 14 H ARG 2 HN ARG 2 -12.951 5.664 -0.307 15 HA ARG 2 HA ARG 2 -14.450 4.277 1.747 16 HB2 ARG 2 HB2 ARG 2 -15.167 4.463 -0.683 17 HB3 ARG 2 HB1 ARG 2 -13.870 3.326 -1.038 18 HG2 ARG 2 HG2 ARG 2 -14.911 1.576 0.049 19 HG3 ARG 2 HG1 ARG 2 -15.938 2.647 1.002 20 HD2 ARG 2 HD2 ARG 2 -17.174 1.456 -0.777 21 HD3 ARG 2 HD1 ARG 2 -17.246 3.208 -0.931 22 HE ARG 2 HE ARG 2 -15.283 1.704 -2.509 23 HH11 ARG 2 HH11 ARG 2 -18.182 3.657 -2.358 24 HH12 ARG 2 HH12 ARG 2 -18.190 4.002 -4.057 25 HH21 ARG 2 HH21 ARG 2 -15.297 2.154 -4.757 26 HH22 ARG 2 HH22 ARG 2 -16.554 3.152 -5.418 27 H LEU 3 HN LEU 3 -14.082 2.154 2.377 28 HA LEU 3 HA LEU 3 -11.536 1.800 3.316 29 HB2 LEU 3 HB2 LEU 3 -12.351 -0.608 3.787 30 HB3 LEU 3 HB1 LEU 3 -13.070 0.752 4.630 31 HG LEU 3 HG LEU 3 -14.910 0.664 2.846 32 HD11 LEU 3 HD11 LEU 3 -15.263 -1.469 1.761 33 HD12 LEU 3 HD12 LEU 3 -13.757 -2.086 2.437 34 HD13 LEU 3 HD13 LEU 3 -13.721 -0.776 1.260 35 HD21 LEU 3 HD21 LEU 3 -14.568 -1.615 4.774 36 HD22 LEU 3 HD22 LEU 3 -16.089 -1.098 4.045 37 HD23 LEU 3 HD23 LEU 3 -15.228 -0.023 5.145 38 H ILE 4 HN ILE 4 -12.877 0.527 0.385 39 HA ILE 4 HA ILE 4 -10.995 -1.477 -0.078 40 HB ILE 4 HB ILE 4 -12.481 0.248 -2.064 41 HG12 ILE 4 HG12 ILE 4 -13.927 -1.147 -0.683 42 HG13 ILE 4 HG11 ILE 4 -13.894 -1.758 -2.330 43 HG21 ILE 4 HG21 ILE 4 -10.914 -2.273 -2.584 44 HG22 ILE 4 HG22 ILE 4 -10.467 -0.650 -3.104 45 HG23 ILE 4 HG23 ILE 4 -11.914 -1.416 -3.757 46 HD11 ILE 4 HD11 ILE 4 -13.816 -3.591 -0.786 47 HD12 ILE 4 HD12 ILE 4 -12.421 -2.893 0.032 48 HD13 ILE 4 HD13 ILE 4 -12.271 -3.474 -1.627 49 H HIS 5 HN HIS 5 -10.898 1.989 -0.778 50 HA HIS 5 HA HIS 5 -8.323 1.828 -2.059 51 HB2 HIS 5 HB2 HIS 5 -10.028 4.143 -1.155 52 HB3 HIS 5 HB1 HIS 5 -8.420 4.367 -1.826 53 HD1 HIS 5 HD1 HIS 5 -8.569 5.045 -4.183 54 HD2 HIS 5 HD2 HIS 5 -11.573 2.359 -3.162 55 HE1 HIS 5 HE1 HIS 5 -9.918 4.706 -6.275 56 HE2 HIS 5 HE2 HIS 5 -11.829 3.228 -5.582 57 H ALA 6 HN ALA 6 -9.531 2.209 1.146 58 HA ALA 6 HA ALA 6 -7.180 3.332 2.296 59 HB1 ALA 6 HB1 ALA 6 -9.398 3.477 3.362 60 HB2 ALA 6 HB2 ALA 6 -8.183 2.776 4.431 61 HB3 ALA 6 HB3 ALA 6 -9.362 1.735 3.635 62 H VAL 7 HN VAL 7 -8.491 0.027 2.094 63 HA VAL 7 HA VAL 7 -6.227 -1.112 3.399 64 HB VAL 7 HB VAL 7 -8.381 -2.230 3.530 65 HG11 VAL 7 HG11 VAL 7 -9.311 -1.680 1.378 66 HG12 VAL 7 HG12 VAL 7 -9.301 -3.433 1.590 67 HG13 VAL 7 HG13 VAL 7 -8.090 -2.663 0.565 68 HG21 VAL 7 HG21 VAL 7 -7.655 -4.514 3.017 69 HG22 VAL 7 HG22 VAL 7 -6.380 -3.578 3.798 70 HG23 VAL 7 HG23 VAL 7 -6.323 -3.868 2.059 71 H ARG 8 HN ARG 8 -7.183 -0.743 -0.012 72 HA ARG 8 HA ARG 8 -5.061 -2.173 -1.140 73 HB2 ARG 8 HB2 ARG 8 -6.942 -0.105 -2.062 74 HB3 ARG 8 HB1 ARG 8 -5.417 -0.150 -2.933 75 HG2 ARG 8 HG2 ARG 8 -7.043 -1.504 -4.072 76 HG3 ARG 8 HG1 ARG 8 -5.779 -2.531 -3.401 77 HD2 ARG 8 HD2 ARG 8 -7.192 -3.209 -1.596 78 HD3 ARG 8 HD1 ARG 8 -8.424 -2.037 -2.058 79 HE ARG 8 HE ARG 8 -7.974 -3.734 -4.234 80 HH11 ARG 8 HH11 ARG 8 -9.231 -3.930 -0.976 81 HH12 ARG 8 HH12 ARG 8 -10.379 -5.172 -1.353 82 HH21 ARG 8 HH21 ARG 8 -9.509 -5.351 -4.744 83 HH22 ARG 8 HH22 ARG 8 -10.534 -5.978 -3.494 84 H GLY 9 HN GLY 9 -5.311 1.327 -0.580 85 HA2 GLY 9 HA2 GLY 9 -2.715 2.025 -1.264 86 HA3 GLY 9 HA1 GLY 9 -3.714 2.905 -0.116 87 H TYR 10 HN TYR 10 -3.960 0.698 1.730 88 HA TYR 10 HA TYR 10 -1.795 1.107 3.407 89 HB2 TYR 10 HB2 TYR 10 -3.689 0.258 4.459 90 HB3 TYR 10 HB1 TYR 10 -3.920 -0.997 3.248 91 HD1 TYR 10 HD1 TYR 10 -3.533 -3.148 3.936 92 HD2 TYR 10 HD2 TYR 10 -1.310 -0.011 5.754 93 HE1 TYR 10 HE1 TYR 10 -2.420 -4.788 5.389 94 HE2 TYR 10 HE2 TYR 10 -0.194 -1.644 7.214 95 HH TYR 10 HH TYR 10 -0.624 -3.911 8.111 96 H TRP 11 HN TRP 11 -2.408 -1.884 1.488 97 HA TRP 11 HA TRP 11 0.210 -2.808 2.201 98 HB2 TRP 11 HB2 TRP 11 -0.275 -4.799 0.899 99 HB3 TRP 11 HB1 TRP 11 -1.612 -4.402 1.956 100 HD1 TRP 11 HD1 TRP 11 -3.901 -3.616 0.814 101 HE1 TRP 11 HE1 TRP 11 -4.836 -4.040 -1.545 102 HE3 TRP 11 HE3 TRP 11 0.418 -4.996 -1.525 103 HZ2 TRP 11 HZ2 TRP 11 -3.862 -4.858 -4.072 104 HZ3 TRP 11 HZ3 TRP 11 0.336 -5.596 -3.911 105 HH2 TRP 11 HH2 TRP 11 -1.762 -5.525 -5.156 106 H LEU 12 HN LEU 12 -1.196 -1.268 -0.596 107 HA LEU 12 HA LEU 12 0.848 -1.720 -2.442 108 HB2 LEU 12 HB2 LEU 12 -1.038 0.603 -2.114 109 HB3 LEU 12 HB1 LEU 12 0.037 0.421 -3.485 110 HG LEU 12 HG LEU 12 -2.064 -1.606 -2.720 111 HD11 LEU 12 HD11 LEU 12 -3.120 0.503 -3.349 112 HD12 LEU 12 HD12 LEU 12 -3.349 -0.706 -4.614 113 HD13 LEU 12 HD13 LEU 12 -2.147 0.570 -4.819 114 HD21 LEU 12 HD21 LEU 12 -0.376 -1.253 -5.200 115 HD22 LEU 12 HD22 LEU 12 -1.671 -2.434 -5.005 116 HD23 LEU 12 HD23 LEU 12 -0.224 -2.535 -4.001 117 H THR 13 HN THR 13 0.668 0.561 0.218 118 HA THR 13 HA THR 13 3.098 1.909 -0.659 119 HB THR 13 HB THR 13 2.804 3.244 1.458 120 HG1 THR 13 HG1 THR 13 0.219 2.061 1.558 121 HG21 THR 13 HG21 THR 13 0.875 4.515 0.614 122 HG22 THR 13 HG22 THR 13 0.487 3.181 -0.474 123 HG23 THR 13 HG23 THR 13 1.991 4.078 -0.680 124 H ASN 14 HN ASN 14 2.354 -0.851 1.032 125 HA ASN 14 HA ASN 14 4.600 -0.599 2.899 126 HB2 ASN 14 HB2 ASN 14 2.195 -2.358 2.770 127 HB3 ASN 14 HB1 ASN 14 3.587 -2.864 3.718 128 HD21 ASN 14 HD21 ASN 14 2.635 0.477 3.328 129 HD22 ASN 14 HD22 ASN 14 2.117 0.722 4.959 130 H LYS 15 HN LYS 15 3.498 -2.500 0.149 131 HA LYS 15 HA LYS 15 5.506 -4.507 0.256 132 HB2 LYS 15 HB2 LYS 15 4.150 -3.405 -2.212 133 HB3 LYS 15 HB1 LYS 15 4.938 -4.967 -2.057 134 HG2 LYS 15 HG2 LYS 15 2.481 -4.093 -0.572 135 HG3 LYS 15 HG1 LYS 15 2.502 -5.136 -1.998 136 HD2 LYS 15 HD2 LYS 15 3.877 -6.765 -0.751 137 HD3 LYS 15 HD1 LYS 15 3.769 -5.733 0.676 138 HE2 LYS 15 HE2 LYS 15 1.346 -5.997 0.690 139 HE3 LYS 15 HE1 LYS 15 1.439 -7.009 -0.751 140 HZ1 LYS 15 HZ1 LYS 15 1.253 -8.371 1.205 141 HZ2 LYS 15 HZ2 LYS 15 2.598 -7.627 1.911 142 HZ3 LYS 15 HZ3 LYS 15 2.789 -8.583 0.532 143 H VAL 16 HN VAL 16 5.438 -1.262 -0.733 144 HA VAL 16 HA VAL 16 7.956 -1.391 -2.178 145 HB VAL 16 HB VAL 16 6.412 -0.014 -3.282 146 HG11 VAL 16 HG11 VAL 16 5.040 1.680 -2.188 147 HG12 VAL 16 HG12 VAL 16 5.769 1.276 -0.633 148 HG13 VAL 16 HG13 VAL 16 4.765 0.087 -1.470 149 HG21 VAL 16 HG21 VAL 16 8.023 1.889 -1.581 150 HG22 VAL 16 HG22 VAL 16 7.297 2.248 -3.148 151 HG23 VAL 16 HG23 VAL 16 8.606 1.073 -3.030 152 HA PRO 17 HA PRO 17 10.163 -0.237 1.561 153 HB2 PRO 17 HB2 PRO 17 12.332 0.429 -0.274 154 HB3 PRO 17 HB1 PRO 17 12.306 -0.753 1.032 155 HG2 PRO 17 HG2 PRO 17 12.326 -1.480 -1.573 156 HG3 PRO 17 HG1 PRO 17 11.518 -2.435 -0.318 157 HD2 PRO 17 HD2 PRO 17 10.346 -0.601 -2.358 158 HD3 PRO 17 HD1 PRO 17 9.707 -2.121 -1.699 159 H ILE 18 HN ILE 18 9.845 1.665 2.448 160 HA ILE 18 HA ILE 18 9.613 4.035 0.794 161 HB ILE 18 HB ILE 18 9.102 3.765 3.764 162 HG12 ILE 18 HG12 ILE 18 7.126 3.651 1.471 163 HG13 ILE 18 HG11 ILE 18 7.657 2.264 2.413 164 HG21 ILE 18 HG21 ILE 18 7.808 5.826 3.485 165 HG22 ILE 18 HG22 ILE 18 8.245 5.871 1.777 166 HG23 ILE 18 HG23 ILE 18 9.492 6.058 3.010 167 HD11 ILE 18 HD11 ILE 18 5.477 3.036 3.138 168 HD12 ILE 18 HD12 ILE 18 6.139 4.637 3.467 169 HD13 ILE 18 HD13 ILE 18 6.672 3.250 4.417 170 H LYS 19 HN LYS 19 11.823 4.204 0.294 171 HA LYS 19 HA LYS 19 13.774 4.578 2.371 172 HB2 LYS 19 HB2 LYS 19 13.960 5.047 -0.610 173 HB3 LYS 19 HB1 LYS 19 15.317 5.094 0.508 174 HG2 LYS 19 HG2 LYS 19 14.885 2.731 1.077 175 HG3 LYS 19 HG1 LYS 19 13.600 2.704 -0.132 176 HD2 LYS 19 HD2 LYS 19 15.238 3.265 -1.871 177 HD3 LYS 19 HD1 LYS 19 16.519 3.269 -0.657 178 HE2 LYS 19 HE2 LYS 19 14.801 0.914 -1.434 179 HE3 LYS 19 HE1 LYS 19 16.489 1.161 -1.878 180 HZ1 LYS 19 HZ1 LYS 19 17.089 1.041 0.459 181 HZ2 LYS 19 HZ2 LYS 19 16.264 -0.359 -0.009 182 HZ3 LYS 19 HZ3 LYS 19 15.468 0.826 0.893 183 H ARG 20 HN ARG 20 11.542 6.570 0.727 184 HA ARG 20 HA ARG 20 12.976 9.026 1.120 185 HB2 ARG 20 HB2 ARG 20 10.941 10.133 0.371 186 HB3 ARG 20 HB1 ARG 20 11.346 8.805 -0.705 187 HG2 ARG 20 HG2 ARG 20 9.648 7.418 0.300 188 HG3 ARG 20 HG1 ARG 20 9.297 8.677 1.488 189 HD2 ARG 20 HD2 ARG 20 9.024 9.081 -1.482 190 HD3 ARG 20 HD1 ARG 20 7.701 8.524 -0.460 191 HE ARG 20 HE ARG 20 8.809 10.902 0.602 192 HH11 ARG 20 HH11 ARG 20 6.825 9.787 -2.066 193 HH12 ARG 20 HH12 ARG 20 5.950 11.279 -2.197 194 HH21 ARG 20 HH21 ARG 20 7.657 12.836 0.451 195 HH22 ARG 20 HH22 ARG 20 6.420 13.020 -0.764 196 HA PRO 21 HA PRO 21 11.599 9.552 5.374 197 HB2 PRO 21 HB2 PRO 21 12.574 12.273 5.244 198 HB3 PRO 21 HB1 PRO 21 13.241 10.908 6.138 199 HG2 PRO 21 HG2 PRO 21 14.464 12.070 3.981 200 HG3 PRO 21 HG1 PRO 21 14.727 10.394 4.488 201 HD2 PRO 21 HD2 PRO 21 13.041 11.460 2.264 202 HD3 PRO 21 HD1 PRO 21 14.023 9.984 2.346 203 H SER 22 HN SER 22 9.475 9.580 3.981 204 HA SER 22 HA SER 22 7.503 10.484 3.348 205 HB2 SER 22 HB2 SER 22 6.452 11.993 5.060 206 HB3 SER 22 HB1 SER 22 7.103 10.494 5.714 207 HG SER 22 HG SER 22 8.981 12.440 5.732 Start of MODEL 2 1 H1 LEU 1 HT1 LEU 1 -9.968 8.928 0.576 2 H2 LEU 1 HT2 LEU 1 -11.326 8.530 -0.341 3 H3 LEU 1 HT3 LEU 1 -10.320 7.310 0.248 4 HA LEU 1 HA LEU 1 -10.888 7.943 2.521 5 HB2 LEU 1 HB2 LEU 1 -12.715 9.826 1.041 6 HB3 LEU 1 HB1 LEU 1 -13.063 9.302 2.673 7 HG LEU 1 HG LEU 1 -12.068 11.433 2.852 8 HD11 LEU 1 HD11 LEU 1 -11.269 9.796 4.481 9 HD12 LEU 1 HD12 LEU 1 -10.056 11.026 4.133 10 HD13 LEU 1 HD13 LEU 1 -9.905 9.419 3.428 11 HD21 LEU 1 HD21 LEU 1 -9.797 10.470 1.123 12 HD22 LEU 1 HD22 LEU 1 -9.955 12.064 1.855 13 HD23 LEU 1 HD23 LEU 1 -11.090 11.551 0.607 14 H ARG 2 HN ARG 2 -11.137 5.712 1.164 15 HA ARG 2 HA ARG 2 -13.849 4.848 1.797 16 HB2 ARG 2 HB2 ARG 2 -13.593 5.440 -0.722 17 HB3 ARG 2 HB1 ARG 2 -12.630 3.972 -0.795 18 HG2 ARG 2 HG2 ARG 2 -14.855 3.446 -1.467 19 HG3 ARG 2 HG1 ARG 2 -14.566 2.716 0.112 20 HD2 ARG 2 HD2 ARG 2 -15.744 4.567 1.185 21 HD3 ARG 2 HD1 ARG 2 -16.014 5.315 -0.387 22 HE ARG 2 HE ARG 2 -17.132 2.885 -0.698 23 HH11 ARG 2 HH11 ARG 2 -17.469 5.339 1.776 24 HH12 ARG 2 HH12 ARG 2 -19.112 4.919 2.145 25 HH21 ARG 2 HH21 ARG 2 -19.288 2.328 -0.209 26 HH22 ARG 2 HH22 ARG 2 -20.141 3.185 1.035 27 H LEU 3 HN LEU 3 -13.949 2.638 2.341 28 HA LEU 3 HA LEU 3 -11.772 1.633 3.657 29 HB2 LEU 3 HB2 LEU 3 -14.374 0.912 3.386 30 HB3 LEU 3 HB1 LEU 3 -13.521 -0.389 2.593 31 HG LEU 3 HG LEU 3 -13.084 0.470 5.445 32 HD11 LEU 3 HD11 LEU 3 -15.241 -0.581 5.168 33 HD12 LEU 3 HD12 LEU 3 -14.139 -1.690 5.986 34 HD13 LEU 3 HD13 LEU 3 -14.507 -1.912 4.275 35 HD21 LEU 3 HD21 LEU 3 -11.731 -1.557 5.621 36 HD22 LEU 3 HD22 LEU 3 -11.062 -0.445 4.427 37 HD23 LEU 3 HD23 LEU 3 -11.963 -1.865 3.900 38 H ILE 4 HN ILE 4 -13.004 0.478 0.568 39 HA ILE 4 HA ILE 4 -11.098 -1.487 0.122 40 HB ILE 4 HB ILE 4 -12.577 0.134 -1.942 41 HG12 ILE 4 HG12 ILE 4 -14.109 -0.930 -0.400 42 HG13 ILE 4 HG11 ILE 4 -14.128 -1.803 -1.924 43 HG21 ILE 4 HG21 ILE 4 -11.236 -2.556 -2.182 44 HG22 ILE 4 HG22 ILE 4 -10.687 -1.052 -2.920 45 HG23 ILE 4 HG23 ILE 4 -12.214 -1.777 -3.427 46 HD11 ILE 4 HD11 ILE 4 -12.710 -2.643 0.587 47 HD12 ILE 4 HD12 ILE 4 -12.648 -3.502 -0.952 48 HD13 ILE 4 HD13 ILE 4 -14.177 -3.351 -0.088 49 H HIS 5 HN HIS 5 -10.976 1.959 -0.638 50 HA HIS 5 HA HIS 5 -8.470 1.681 -2.047 51 HB2 HIS 5 HB2 HIS 5 -10.107 4.070 -1.229 52 HB3 HIS 5 HB1 HIS 5 -8.511 4.234 -1.947 53 HD1 HIS 5 HD1 HIS 5 -8.532 4.490 -4.394 54 HD2 HIS 5 HD2 HIS 5 -11.878 2.446 -3.025 55 HE1 HIS 5 HE1 HIS 5 -9.958 4.092 -6.418 56 HE2 HIS 5 HE2 HIS 5 -11.877 2.687 -5.597 57 H ALA 6 HN ALA 6 -9.503 2.100 1.196 58 HA ALA 6 HA ALA 6 -7.080 3.317 2.150 59 HB1 ALA 6 HB1 ALA 6 -7.955 2.870 4.371 60 HB2 ALA 6 HB2 ALA 6 -9.209 1.835 3.691 61 HB3 ALA 6 HB3 ALA 6 -9.212 3.565 3.347 62 H VAL 7 HN VAL 7 -8.418 0.038 2.044 63 HA VAL 7 HA VAL 7 -6.136 -1.129 3.295 64 HB VAL 7 HB VAL 7 -8.217 -2.295 3.499 65 HG11 VAL 7 HG11 VAL 7 -8.224 -2.497 0.495 66 HG12 VAL 7 HG12 VAL 7 -9.337 -1.561 1.495 67 HG13 VAL 7 HG13 VAL 7 -9.349 -3.323 1.572 68 HG21 VAL 7 HG21 VAL 7 -6.214 -3.686 3.446 69 HG22 VAL 7 HG22 VAL 7 -6.364 -3.849 1.696 70 HG23 VAL 7 HG23 VAL 7 -7.594 -4.539 2.754 71 H ARG 8 HN ARG 8 -7.145 -0.679 -0.084 72 HA ARG 8 HA ARG 8 -5.058 -2.080 -1.295 73 HB2 ARG 8 HB2 ARG 8 -6.970 -0.032 -2.121 74 HB3 ARG 8 HB1 ARG 8 -5.433 0.082 -2.966 75 HG2 ARG 8 HG2 ARG 8 -6.822 -1.293 -4.282 76 HG3 ARG 8 HG1 ARG 8 -5.662 -2.357 -3.491 77 HD2 ARG 8 HD2 ARG 8 -7.378 -2.838 -1.758 78 HD3 ARG 8 HD1 ARG 8 -8.531 -1.901 -2.708 79 HE ARG 8 HE ARG 8 -7.446 -4.528 -3.350 80 HH11 ARG 8 HH11 ARG 8 -9.329 -1.770 -4.403 81 HH12 ARG 8 HH12 ARG 8 -10.178 -2.661 -5.625 82 HH21 ARG 8 HH21 ARG 8 -8.557 -5.691 -4.973 83 HH22 ARG 8 HH22 ARG 8 -9.742 -4.883 -5.948 84 H GLY 9 HN GLY 9 -5.231 1.420 -0.679 85 HA2 GLY 9 HA2 GLY 9 -2.609 2.049 -1.338 86 HA3 GLY 9 HA1 GLY 9 -3.589 2.947 -0.189 87 H TYR 10 HN TYR 10 -3.903 0.688 1.603 88 HA TYR 10 HA TYR 10 -1.699 0.992 3.279 89 HB2 TYR 10 HB2 TYR 10 -3.683 0.263 4.297 90 HB3 TYR 10 HB1 TYR 10 -3.917 -1.030 3.129 91 HD1 TYR 10 HD1 TYR 10 -1.348 -0.006 5.669 92 HD2 TYR 10 HD2 TYR 10 -3.589 -3.157 3.889 93 HE1 TYR 10 HE1 TYR 10 -0.324 -1.610 7.228 94 HE2 TYR 10 HE2 TYR 10 -2.570 -4.767 5.439 95 HH TYR 10 HH TYR 10 -0.768 -3.801 8.182 96 H TRP 11 HN TRP 11 -2.533 -1.989 1.414 97 HA TRP 11 HA TRP 11 -0.014 -3.111 2.113 98 HB2 TRP 11 HB2 TRP 11 -0.607 -5.015 0.750 99 HB3 TRP 11 HB1 TRP 11 -1.973 -4.523 1.727 100 HD1 TRP 11 HD1 TRP 11 -4.164 -3.778 0.496 101 HE1 TRP 11 HE1 TRP 11 -4.952 -3.979 -1.941 102 HE3 TRP 11 HE3 TRP 11 0.314 -4.859 -1.709 103 HZ2 TRP 11 HZ2 TRP 11 -3.821 -4.515 -4.472 104 HZ3 TRP 11 HZ3 TRP 11 0.376 -5.209 -4.144 105 HH2 TRP 11 HH2 TRP 11 -1.651 -5.038 -5.495 106 H LEU 12 HN LEU 12 -1.071 -1.141 -0.482 107 HA LEU 12 HA LEU 12 1.002 -1.732 -2.313 108 HB2 LEU 12 HB2 LEU 12 -0.748 0.687 -1.939 109 HB3 LEU 12 HB1 LEU 12 0.404 0.532 -3.251 110 HG LEU 12 HG LEU 12 -1.831 -1.443 -2.776 111 HD11 LEU 12 HD11 LEU 12 -3.001 -0.306 -4.615 112 HD12 LEU 12 HD12 LEU 12 -1.749 0.935 -4.648 113 HD13 LEU 12 HD13 LEU 12 -2.784 0.762 -3.230 114 HD21 LEU 12 HD21 LEU 12 -0.046 -0.895 -5.154 115 HD22 LEU 12 HD22 LEU 12 -1.362 -2.068 -5.102 116 HD23 LEU 12 HD23 LEU 12 0.054 -2.285 -4.075 117 H THR 13 HN THR 13 0.627 0.916 0.056 118 HA THR 13 HA THR 13 3.149 2.082 -0.530 119 HB THR 13 HB THR 13 2.790 3.353 1.606 120 HG1 THR 13 HG1 THR 13 0.218 2.155 1.677 121 HG21 THR 13 HG21 THR 13 0.477 3.277 -0.328 122 HG22 THR 13 HG22 THR 13 1.959 4.218 -0.513 123 HG23 THR 13 HG23 THR 13 0.833 4.590 0.794 124 H ASN 14 HN ASN 14 2.360 -0.696 1.126 125 HA ASN 14 HA ASN 14 4.593 -0.541 2.999 126 HB2 ASN 14 HB2 ASN 14 2.149 -2.177 2.720 127 HB3 ASN 14 HB1 ASN 14 3.514 -2.905 3.563 128 HD21 ASN 14 HD21 ASN 14 1.160 -0.335 3.592 129 HD22 ASN 14 HD22 ASN 14 1.381 0.123 5.245 130 H LYS 15 HN LYS 15 3.968 -1.632 -0.103 131 HA LYS 15 HA LYS 15 5.987 -3.736 -0.073 132 HB2 LYS 15 HB2 LYS 15 4.499 -2.439 -2.369 133 HB3 LYS 15 HB1 LYS 15 5.557 -3.831 -2.498 134 HG2 LYS 15 HG2 LYS 15 3.007 -3.730 -0.914 135 HG3 LYS 15 HG1 LYS 15 3.182 -4.435 -2.521 136 HD2 LYS 15 HD2 LYS 15 4.771 -6.065 -1.650 137 HD3 LYS 15 HD1 LYS 15 4.654 -5.339 -0.046 138 HE2 LYS 15 HE2 LYS 15 2.352 -6.575 -1.550 139 HE3 LYS 15 HE1 LYS 15 3.288 -7.389 -0.297 140 HZ1 LYS 15 HZ1 LYS 15 1.203 -6.427 0.524 141 HZ2 LYS 15 HZ2 LYS 15 1.753 -4.882 0.109 142 HZ3 LYS 15 HZ3 LYS 15 2.560 -5.777 1.298 143 H VAL 16 HN VAL 16 5.901 -0.513 0.004 144 HA VAL 16 HA VAL 16 8.058 0.038 -1.870 145 HB VAL 16 HB VAL 16 6.714 2.124 -0.201 146 HG11 VAL 16 HG11 VAL 16 7.075 3.499 -2.193 147 HG12 VAL 16 HG12 VAL 16 7.762 2.105 -3.025 148 HG13 VAL 16 HG13 VAL 16 8.576 2.778 -1.613 149 HG21 VAL 16 HG21 VAL 16 4.871 0.758 -1.014 150 HG22 VAL 16 HG22 VAL 16 5.502 0.872 -2.663 151 HG23 VAL 16 HG23 VAL 16 4.907 2.318 -1.847 152 HA PRO 17 HA PRO 17 10.837 0.063 1.659 153 HB2 PRO 17 HB2 PRO 17 13.052 0.825 0.265 154 HB3 PRO 17 HB1 PRO 17 12.456 -0.836 0.297 155 HG2 PRO 17 HG2 PRO 17 12.125 1.258 -1.802 156 HG3 PRO 17 HG1 PRO 17 12.410 -0.481 -1.988 157 HD2 PRO 17 HD2 PRO 17 9.962 0.679 -2.289 158 HD3 PRO 17 HD1 PRO 17 10.182 -0.995 -1.744 159 H ILE 18 HN ILE 18 10.661 1.704 3.025 160 HA ILE 18 HA ILE 18 11.321 4.411 2.093 161 HB ILE 18 HB ILE 18 9.096 3.749 4.034 162 HG12 ILE 18 HG12 ILE 18 8.973 4.691 1.162 163 HG13 ILE 18 HG11 ILE 18 8.482 3.111 1.755 164 HG21 ILE 18 HG21 ILE 18 8.557 6.144 3.858 165 HG22 ILE 18 HG22 ILE 18 9.984 6.378 2.850 166 HG23 ILE 18 HG23 ILE 18 10.165 5.869 4.528 167 HD11 ILE 18 HD11 ILE 18 6.557 4.512 1.343 168 HD12 ILE 18 HD12 ILE 18 7.191 5.742 2.436 169 HD13 ILE 18 HD13 ILE 18 6.707 4.167 3.066 170 H LYS 19 HN LYS 19 13.340 4.425 2.989 171 HA LYS 19 HA LYS 19 13.697 3.560 5.743 172 HB2 LYS 19 HB2 LYS 19 15.680 4.591 3.711 173 HB3 LYS 19 HB1 LYS 19 16.103 4.045 5.327 174 HG2 LYS 19 HG2 LYS 19 14.892 2.375 3.133 175 HG3 LYS 19 HG1 LYS 19 16.556 2.305 3.718 176 HD2 LYS 19 HD2 LYS 19 15.674 1.665 5.957 177 HD3 LYS 19 HD1 LYS 19 14.058 1.604 5.257 178 HE2 LYS 19 HE2 LYS 19 16.412 -0.066 4.388 179 HE3 LYS 19 HE1 LYS 19 15.088 -0.620 5.408 180 HZ1 LYS 19 HZ1 LYS 19 13.563 -0.183 3.570 181 HZ2 LYS 19 HZ2 LYS 19 14.751 -1.301 3.136 182 HZ3 LYS 19 HZ3 LYS 19 14.859 0.297 2.594 183 H ARG 20 HN ARG 20 12.685 6.303 4.291 184 HA ARG 20 HA ARG 20 14.041 8.186 6.038 185 HB2 ARG 20 HB2 ARG 20 11.840 8.617 4.005 186 HB3 ARG 20 HB1 ARG 20 12.728 9.888 4.836 187 HG2 ARG 20 HG2 ARG 20 14.779 9.208 3.751 188 HG3 ARG 20 HG1 ARG 20 13.947 7.861 2.971 189 HD2 ARG 20 HD2 ARG 20 12.481 9.486 1.822 190 HD3 ARG 20 HD1 ARG 20 13.410 10.798 2.547 191 HE ARG 20 HE ARG 20 15.135 9.035 1.169 192 HH11 ARG 20 HH11 ARG 20 12.749 11.534 0.598 193 HH12 ARG 20 HH12 ARG 20 13.414 11.990 -0.939 194 HH21 ARG 20 HH21 ARG 20 16.023 9.643 -0.839 195 HH22 ARG 20 HH22 ARG 20 15.276 10.911 -1.760 196 HA PRO 21 HA PRO 21 10.840 8.103 9.099 197 HB2 PRO 21 HB2 PRO 21 11.271 10.841 9.881 198 HB3 PRO 21 HB1 PRO 21 11.854 9.374 10.668 199 HG2 PRO 21 HG2 PRO 21 13.472 11.202 9.407 200 HG3 PRO 21 HG1 PRO 21 13.892 9.499 9.657 201 HD2 PRO 21 HD2 PRO 21 12.845 10.857 7.206 202 HD3 PRO 21 HD1 PRO 21 14.071 9.582 7.356 203 H SER 22 HN SER 22 10.104 9.089 6.366 204 HA SER 22 HA SER 22 7.504 10.034 6.946 205 HB2 SER 22 HB2 SER 22 8.746 12.162 7.253 206 HB3 SER 22 HB1 SER 22 9.387 12.008 5.619 207 HG SER 22 HG SER 22 6.718 12.459 6.437 Start of MODEL 3 1 H1 LEU 1 HT1 LEU 1 -11.343 9.209 0.909 2 H2 LEU 1 HT2 LEU 1 -12.012 8.308 -0.354 3 H3 LEU 1 HT3 LEU 1 -11.073 7.543 0.823 4 HA LEU 1 HA LEU 1 -12.687 7.987 2.504 5 HB2 LEU 1 HB2 LEU 1 -14.197 9.334 0.269 6 HB3 LEU 1 HB1 LEU 1 -14.878 8.965 1.840 7 HG LEU 1 HG LEU 1 -12.577 10.852 1.325 8 HD11 LEU 1 HD11 LEU 1 -14.162 12.586 1.989 9 HD12 LEU 1 HD12 LEU 1 -15.435 11.372 2.112 10 HD13 LEU 1 HD13 LEU 1 -14.707 11.728 0.546 11 HD21 LEU 1 HD21 LEU 1 -14.033 10.164 3.876 12 HD22 LEU 1 HD22 LEU 1 -12.830 11.441 3.694 13 HD23 LEU 1 HD23 LEU 1 -12.363 9.752 3.487 14 H ARG 2 HN ARG 2 -11.963 5.742 1.372 15 HA ARG 2 HA ARG 2 -14.394 4.241 1.322 16 HB2 ARG 2 HB2 ARG 2 -14.019 5.069 -1.098 17 HB3 ARG 2 HB1 ARG 2 -12.668 3.942 -1.116 18 HG2 ARG 2 HG2 ARG 2 -14.430 2.751 -2.069 19 HG3 ARG 2 HG1 ARG 2 -14.351 2.169 -0.404 20 HD2 ARG 2 HD2 ARG 2 -16.271 4.235 -1.481 21 HD3 ARG 2 HD1 ARG 2 -16.662 2.564 -1.103 22 HE ARG 2 HE ARG 2 -16.015 4.665 0.856 23 HH11 ARG 2 HH11 ARG 2 -17.316 1.501 0.102 24 HH12 ARG 2 HH12 ARG 2 -18.082 1.309 1.649 25 HH21 ARG 2 HH21 ARG 2 -17.019 4.396 2.905 26 HH22 ARG 2 HH22 ARG 2 -17.904 2.943 3.237 27 H LEU 3 HN LEU 3 -14.026 2.295 2.135 28 HA LEU 3 HA LEU 3 -11.578 1.726 3.306 29 HB2 LEU 3 HB2 LEU 3 -12.685 -0.676 3.421 30 HB3 LEU 3 HB1 LEU 3 -13.159 0.641 4.475 31 HG LEU 3 HG LEU 3 -15.038 1.129 2.860 32 HD11 LEU 3 HD11 LEU 3 -14.234 0.034 0.880 33 HD12 LEU 3 HD12 LEU 3 -15.732 -0.740 1.397 34 HD13 LEU 3 HD13 LEU 3 -14.180 -1.518 1.711 35 HD21 LEU 3 HD21 LEU 3 -15.401 -0.039 4.949 36 HD22 LEU 3 HD22 LEU 3 -14.983 -1.570 4.182 37 HD23 LEU 3 HD23 LEU 3 -16.431 -0.699 3.678 38 H ILE 4 HN ILE 4 -12.843 0.702 0.226 39 HA ILE 4 HA ILE 4 -11.002 -1.328 -0.306 40 HB ILE 4 HB ILE 4 -12.237 0.609 -2.270 41 HG12 ILE 4 HG12 ILE 4 -13.927 -0.634 -1.047 42 HG13 ILE 4 HG11 ILE 4 -13.830 -1.238 -2.693 43 HG21 ILE 4 HG21 ILE 4 -11.756 -1.106 -3.968 44 HG22 ILE 4 HG22 ILE 4 -10.887 -2.045 -2.754 45 HG23 ILE 4 HG23 ILE 4 -10.287 -0.459 -3.237 46 HD11 ILE 4 HD11 ILE 4 -12.480 -3.128 -1.896 47 HD12 ILE 4 HD12 ILE 4 -14.079 -3.067 -1.155 48 HD13 ILE 4 HD13 ILE 4 -12.667 -2.535 -0.246 49 H HIS 5 HN HIS 5 -10.814 2.160 -0.851 50 HA HIS 5 HA HIS 5 -8.189 2.109 -1.951 51 HB2 HIS 5 HB2 HIS 5 -9.853 4.323 -0.757 52 HB3 HIS 5 HB1 HIS 5 -8.225 4.591 -1.358 53 HD1 HIS 5 HD1 HIS 5 -8.093 5.291 -3.711 54 HD2 HIS 5 HD2 HIS 5 -11.604 3.221 -2.911 55 HE1 HIS 5 HE1 HIS 5 -9.453 5.429 -5.812 56 HE2 HIS 5 HE2 HIS 5 -11.637 4.302 -5.261 57 H ALA 6 HN ALA 6 -9.511 2.231 1.270 58 HA ALA 6 HA ALA 6 -7.178 3.198 2.577 59 HB1 ALA 6 HB1 ALA 6 -8.293 2.549 4.637 60 HB2 ALA 6 HB2 ALA 6 -9.481 1.624 3.718 61 HB3 ALA 6 HB3 ALA 6 -9.416 3.379 3.559 62 H VAL 7 HN VAL 7 -8.490 -0.057 2.010 63 HA VAL 7 HA VAL 7 -6.308 -1.276 3.436 64 HB VAL 7 HB VAL 7 -8.488 -2.349 3.504 65 HG11 VAL 7 HG11 VAL 7 -8.145 -2.726 0.540 66 HG12 VAL 7 HG12 VAL 7 -9.361 -1.733 1.347 67 HG13 VAL 7 HG13 VAL 7 -9.395 -3.490 1.520 68 HG21 VAL 7 HG21 VAL 7 -7.806 -4.642 2.925 69 HG22 VAL 7 HG22 VAL 7 -6.549 -3.761 3.792 70 HG23 VAL 7 HG23 VAL 7 -6.420 -3.990 2.048 71 H ARG 8 HN ARG 8 -7.184 -0.796 0.024 72 HA ARG 8 HA ARG 8 -5.070 -2.320 -1.049 73 HB2 ARG 8 HB2 ARG 8 -6.940 -0.277 -2.080 74 HB3 ARG 8 HB1 ARG 8 -5.427 -0.440 -2.959 75 HG2 ARG 8 HG2 ARG 8 -7.098 -1.821 -3.985 76 HG3 ARG 8 HG1 ARG 8 -5.874 -2.842 -3.233 77 HD2 ARG 8 HD2 ARG 8 -7.348 -3.181 -1.307 78 HD3 ARG 8 HD1 ARG 8 -8.576 -2.176 -2.076 79 HE ARG 8 HE ARG 8 -7.847 -4.260 -3.823 80 HH11 ARG 8 HH11 ARG 8 -9.565 -3.756 -0.818 81 HH12 ARG 8 HH12 ARG 8 -10.610 -5.121 -1.034 82 HH21 ARG 8 HH21 ARG 8 -9.219 -6.061 -4.115 83 HH22 ARG 8 HH22 ARG 8 -10.411 -6.437 -2.910 84 H GLY 9 HN GLY 9 -5.348 1.205 -0.644 85 HA2 GLY 9 HA2 GLY 9 -2.741 1.859 -1.362 86 HA3 GLY 9 HA1 GLY 9 -3.755 2.815 -0.290 87 H TYR 10 HN TYR 10 -3.993 0.604 1.630 88 HA TYR 10 HA TYR 10 -1.856 1.125 3.330 89 HB2 TYR 10 HB2 TYR 10 -3.749 0.269 4.381 90 HB3 TYR 10 HB1 TYR 10 -3.939 -1.027 3.209 91 HD1 TYR 10 HD1 TYR 10 -1.355 0.088 5.695 92 HD2 TYR 10 HD2 TYR 10 -3.552 -3.135 3.988 93 HE1 TYR 10 HE1 TYR 10 -0.235 -1.478 7.226 94 HE2 TYR 10 HE2 TYR 10 -2.435 -4.706 5.512 95 HH TYR 10 HH TYR 10 -0.312 -4.823 6.794 96 H TRP 11 HN TRP 11 -2.403 -1.955 1.531 97 HA TRP 11 HA TRP 11 0.223 -2.804 2.291 98 HB2 TRP 11 HB2 TRP 11 -0.224 -4.851 1.064 99 HB3 TRP 11 HB1 TRP 11 -1.584 -4.428 2.087 100 HD1 TRP 11 HD1 TRP 11 -3.877 -3.790 0.893 101 HE1 TRP 11 HE1 TRP 11 -4.754 -4.259 -1.479 102 HE3 TRP 11 HE3 TRP 11 0.538 -4.994 -1.367 103 HZ2 TRP 11 HZ2 TRP 11 -3.703 -5.046 -3.983 104 HZ3 TRP 11 HZ3 TRP 11 0.519 -5.607 -3.752 105 HH2 TRP 11 HH2 TRP 11 -1.559 -5.629 -5.033 106 H LEU 12 HN LEU 12 -1.142 -1.277 -0.503 107 HA LEU 12 HA LEU 12 0.911 -1.845 -2.340 108 HB2 LEU 12 HB2 LEU 12 -1.017 0.457 -2.140 109 HB3 LEU 12 HB1 LEU 12 0.072 0.230 -3.491 110 HG LEU 12 HG LEU 12 -1.980 -1.816 -2.668 111 HD11 LEU 12 HD11 LEU 12 -3.354 -0.952 -4.482 112 HD12 LEU 12 HD12 LEU 12 -2.158 0.300 -4.817 113 HD13 LEU 12 HD13 LEU 12 -3.045 0.317 -3.294 114 HD21 LEU 12 HD21 LEU 12 -0.128 -2.691 -3.977 115 HD22 LEU 12 HD22 LEU 12 -0.348 -1.418 -5.177 116 HD23 LEU 12 HD23 LEU 12 -1.596 -2.643 -4.953 117 H THR 13 HN THR 13 0.667 0.548 0.199 118 HA THR 13 HA THR 13 3.018 1.916 -0.818 119 HB THR 13 HB THR 13 2.678 3.437 1.144 120 HG1 THR 13 HG1 THR 13 0.146 2.239 1.501 121 HG21 THR 13 HG21 THR 13 0.339 2.963 -0.709 122 HG22 THR 13 HG22 THR 13 1.725 4.019 -0.999 123 HG23 THR 13 HG23 THR 13 0.565 4.414 0.269 124 H ASN 14 HN ASN 14 2.374 -0.712 1.044 125 HA ASN 14 HA ASN 14 4.689 -0.370 2.806 126 HB2 ASN 14 HB2 ASN 14 2.209 -2.001 2.875 127 HB3 ASN 14 HB1 ASN 14 3.635 -2.630 3.700 128 HD21 ASN 14 HD21 ASN 14 1.310 -0.025 3.604 129 HD22 ASN 14 HD22 ASN 14 1.664 0.607 5.175 130 H LYS 15 HN LYS 15 3.217 -2.953 0.836 131 HA LYS 15 HA LYS 15 5.543 -4.592 0.920 132 HB2 LYS 15 HB2 LYS 15 3.280 -4.730 -1.076 133 HB3 LYS 15 HB1 LYS 15 4.380 -6.027 -0.632 134 HG2 LYS 15 HG2 LYS 15 2.341 -4.751 1.172 135 HG3 LYS 15 HG1 LYS 15 2.187 -6.322 0.383 136 HD2 LYS 15 HD2 LYS 15 4.121 -7.151 1.621 137 HD3 LYS 15 HD1 LYS 15 4.322 -5.573 2.383 138 HE2 LYS 15 HE2 LYS 15 2.139 -5.795 3.438 139 HE3 LYS 15 HE1 LYS 15 1.910 -7.359 2.657 140 HZ1 LYS 15 HZ1 LYS 15 3.798 -8.217 3.881 141 HZ2 LYS 15 HZ2 LYS 15 2.646 -7.593 4.946 142 HZ3 LYS 15 HZ3 LYS 15 4.048 -6.713 4.613 143 H VAL 16 HN VAL 16 4.385 -2.101 -1.118 144 HA VAL 16 HA VAL 16 6.380 -2.658 -3.184 145 HB VAL 16 HB VAL 16 4.371 -0.472 -3.391 146 HG11 VAL 16 HG11 VAL 16 5.456 -2.452 -5.387 147 HG12 VAL 16 HG12 VAL 16 5.989 -0.783 -5.179 148 HG13 VAL 16 HG13 VAL 16 4.355 -1.123 -5.748 149 HG21 VAL 16 HG21 VAL 16 3.686 -3.393 -3.687 150 HG22 VAL 16 HG22 VAL 16 2.659 -2.052 -4.197 151 HG23 VAL 16 HG23 VAL 16 3.044 -2.266 -2.481 152 HA PRO 17 HA PRO 17 8.759 0.667 -1.328 153 HB2 PRO 17 HB2 PRO 17 10.420 0.626 -3.707 154 HB3 PRO 17 HB1 PRO 17 10.841 0.178 -2.055 155 HG2 PRO 17 HG2 PRO 17 10.614 -1.630 -4.085 156 HG3 PRO 17 HG1 PRO 17 10.334 -2.028 -2.382 157 HD2 PRO 17 HD2 PRO 17 8.360 -1.534 -4.566 158 HD3 PRO 17 HD1 PRO 17 8.284 -2.670 -3.203 159 H ILE 18 HN ILE 18 8.037 2.668 -1.401 160 HA ILE 18 HA ILE 18 7.709 3.996 -4.000 161 HB ILE 18 HB ILE 18 5.830 4.337 -1.654 162 HG12 ILE 18 HG12 ILE 18 5.441 2.897 -4.288 163 HG13 ILE 18 HG11 ILE 18 5.484 2.160 -2.692 164 HG21 ILE 18 HG21 ILE 18 5.724 5.453 -4.454 165 HG22 ILE 18 HG22 ILE 18 6.113 6.359 -2.993 166 HG23 ILE 18 HG23 ILE 18 4.499 5.680 -3.206 167 HD11 ILE 18 HD11 ILE 18 3.386 4.033 -3.752 168 HD12 ILE 18 HD12 ILE 18 3.445 3.413 -2.104 169 HD13 ILE 18 HD13 ILE 18 3.216 2.303 -3.454 170 H LYS 19 HN LYS 19 9.500 5.223 -3.894 171 HA LYS 19 HA LYS 19 10.252 6.578 -1.452 172 HB2 LYS 19 HB2 LYS 19 11.474 6.645 -4.217 173 HB3 LYS 19 HB1 LYS 19 12.144 7.457 -2.811 174 HG2 LYS 19 HG2 LYS 19 13.384 5.514 -2.913 175 HG3 LYS 19 HG1 LYS 19 12.136 5.120 -1.737 176 HD2 LYS 19 HD2 LYS 19 12.382 3.254 -3.210 177 HD3 LYS 19 HD1 LYS 19 10.844 4.035 -3.568 178 HE2 LYS 19 HE2 LYS 19 12.006 3.420 -5.619 179 HE3 LYS 19 HE1 LYS 19 11.862 5.169 -5.480 180 HZ1 LYS 19 HZ1 LYS 19 14.290 3.611 -4.782 181 HZ2 LYS 19 HZ2 LYS 19 14.142 5.293 -4.760 182 HZ3 LYS 19 HZ3 LYS 19 14.068 4.458 -6.226 183 H ARG 20 HN ARG 20 8.750 7.317 -4.498 184 HA ARG 20 HA ARG 20 8.904 10.137 -4.294 185 HB2 ARG 20 HB2 ARG 20 7.224 10.194 -6.056 186 HB3 ARG 20 HB1 ARG 20 8.464 9.007 -6.426 187 HG2 ARG 20 HG2 ARG 20 6.988 7.207 -5.764 188 HG3 ARG 20 HG1 ARG 20 5.757 8.372 -5.270 189 HD2 ARG 20 HD2 ARG 20 6.818 7.986 -8.068 190 HD3 ARG 20 HD1 ARG 20 5.252 7.441 -7.469 191 HE ARG 20 HE ARG 20 5.351 10.160 -6.997 192 HH11 ARG 20 HH11 ARG 20 5.492 8.060 -9.787 193 HH12 ARG 20 HH12 ARG 20 4.801 9.235 -10.861 194 HH21 ARG 20 HH21 ARG 20 4.433 11.698 -8.397 195 HH22 ARG 20 HH22 ARG 20 4.182 11.299 -10.069 196 HA PRO 21 HA PRO 21 5.966 10.863 -1.021 197 HB2 PRO 21 HB2 PRO 21 5.622 13.471 -2.388 198 HB3 PRO 21 HB1 PRO 21 6.067 13.130 -0.714 199 HG2 PRO 21 HG2 PRO 21 7.875 14.014 -2.470 200 HG3 PRO 21 HG1 PRO 21 8.300 12.823 -1.226 201 HD2 PRO 21 HD2 PRO 21 7.796 12.420 -4.143 202 HD3 PRO 21 HD1 PRO 21 8.975 11.631 -3.074 203 H SER 22 HN SER 22 4.044 9.875 -1.199 204 HA SER 22 HA SER 22 2.298 10.635 -3.441 205 HB2 SER 22 HB2 SER 22 2.276 8.038 -1.889 206 HB3 SER 22 HB1 SER 22 1.354 8.409 -3.348 207 HG SER 22 HG SER 22 4.196 8.390 -3.198 Start of MODEL 4 1 H1 LEU 1 HT1 LEU 1 -13.225 7.226 3.450 2 H2 LEU 1 HT2 LEU 1 -12.567 8.692 2.930 3 H3 LEU 1 HT3 LEU 1 -11.944 7.235 2.349 4 HA LEU 1 HA LEU 1 -14.644 8.315 1.833 5 HB2 LEU 1 HB2 LEU 1 -12.293 7.890 -0.009 6 HB3 LEU 1 HB1 LEU 1 -13.881 8.432 -0.504 7 HG LEU 1 HG LEU 1 -11.964 9.938 1.271 8 HD11 LEU 1 HD11 LEU 1 -11.294 9.915 -1.061 9 HD12 LEU 1 HD12 LEU 1 -11.883 11.513 -0.604 10 HD13 LEU 1 HD13 LEU 1 -12.909 10.432 -1.546 11 HD21 LEU 1 HD21 LEU 1 -14.712 10.678 0.280 12 HD22 LEU 1 HD22 LEU 1 -13.600 11.767 1.107 13 HD23 LEU 1 HD23 LEU 1 -14.249 10.363 1.951 14 H ARG 2 HN ARG 2 -12.409 5.612 1.604 15 HA ARG 2 HA ARG 2 -14.571 3.753 1.277 16 HB2 ARG 2 HB2 ARG 2 -14.135 4.631 -1.069 17 HB3 ARG 2 HB1 ARG 2 -12.541 3.898 -0.949 18 HG2 ARG 2 HG2 ARG 2 -13.541 2.150 -1.921 19 HG3 ARG 2 HG1 ARG 2 -14.091 1.797 -0.283 20 HD2 ARG 2 HD2 ARG 2 -15.614 3.314 -2.398 21 HD3 ARG 2 HD1 ARG 2 -15.936 1.669 -1.863 22 HE ARG 2 HE ARG 2 -16.095 3.280 0.388 23 HH11 ARG 2 HH11 ARG 2 -17.724 2.968 -2.687 24 HH12 ARG 2 HH12 ARG 2 -19.252 3.529 -2.087 25 HH21 ARG 2 HH21 ARG 2 -18.094 4.035 1.196 26 HH22 ARG 2 HH22 ARG 2 -19.460 4.142 0.133 27 H LEU 3 HN LEU 3 -13.969 2.024 2.451 28 HA LEU 3 HA LEU 3 -11.375 1.773 3.477 29 HB2 LEU 3 HB2 LEU 3 -12.122 -0.584 4.084 30 HB3 LEU 3 HB1 LEU 3 -12.956 0.768 4.830 31 HG LEU 3 HG LEU 3 -14.694 0.405 2.919 32 HD11 LEU 3 HD11 LEU 3 -14.876 -1.886 2.155 33 HD12 LEU 3 HD12 LEU 3 -13.399 -2.314 3.015 34 HD13 LEU 3 HD13 LEU 3 -13.332 -1.201 1.650 35 HD21 LEU 3 HD21 LEU 3 -14.347 -1.482 5.232 36 HD22 LEU 3 HD22 LEU 3 -15.838 -1.278 4.315 37 HD23 LEU 3 HD23 LEU 3 -15.184 0.069 5.245 38 H ILE 4 HN ILE 4 -12.835 0.476 0.619 39 HA ILE 4 HA ILE 4 -10.970 -1.518 0.085 40 HB ILE 4 HB ILE 4 -12.506 0.217 -1.855 41 HG12 ILE 4 HG12 ILE 4 -13.904 -1.174 -0.408 42 HG13 ILE 4 HG11 ILE 4 -13.951 -1.757 -2.067 43 HG21 ILE 4 HG21 ILE 4 -10.969 -2.317 -2.413 44 HG22 ILE 4 HG22 ILE 4 -10.529 -0.698 -2.952 45 HG23 ILE 4 HG23 ILE 4 -11.999 -1.459 -3.559 46 HD11 ILE 4 HD11 ILE 4 -12.340 -3.512 -1.478 47 HD12 ILE 4 HD12 ILE 4 -13.825 -3.608 -0.534 48 HD13 ILE 4 HD13 ILE 4 -12.362 -2.948 0.192 49 H HIS 5 HN HIS 5 -10.972 1.905 -0.940 50 HA HIS 5 HA HIS 5 -8.388 1.805 -2.095 51 HB2 HIS 5 HB2 HIS 5 -10.215 4.003 -1.246 52 HB3 HIS 5 HB1 HIS 5 -8.529 4.393 -1.544 53 HD1 HIS 5 HD1 HIS 5 -8.039 5.055 -3.863 54 HD2 HIS 5 HD2 HIS 5 -11.388 2.602 -3.625 55 HE1 HIS 5 HE1 HIS 5 -8.953 4.928 -6.192 56 HE2 HIS 5 HE2 HIS 5 -11.038 3.530 -6.017 57 H ALA 6 HN ALA 6 -9.547 2.259 1.157 58 HA ALA 6 HA ALA 6 -7.185 3.319 2.281 59 HB1 ALA 6 HB1 ALA 6 -9.286 1.639 3.638 60 HB2 ALA 6 HB2 ALA 6 -9.384 3.383 3.392 61 HB3 ALA 6 HB3 ALA 6 -8.122 2.706 4.423 62 H VAL 7 HN VAL 7 -8.420 -0.032 2.166 63 HA VAL 7 HA VAL 7 -6.056 -1.100 3.331 64 HB VAL 7 HB VAL 7 -8.117 -2.330 3.570 65 HG11 VAL 7 HG11 VAL 7 -8.059 -2.676 0.580 66 HG12 VAL 7 HG12 VAL 7 -9.220 -1.718 1.502 67 HG13 VAL 7 HG13 VAL 7 -9.180 -3.473 1.684 68 HG21 VAL 7 HG21 VAL 7 -6.167 -3.851 1.845 69 HG22 VAL 7 HG22 VAL 7 -7.365 -4.560 2.930 70 HG23 VAL 7 HG23 VAL 7 -6.036 -3.604 3.587 71 H ARG 8 HN ARG 8 -7.150 -0.696 -0.021 72 HA ARG 8 HA ARG 8 -5.085 -2.129 -1.260 73 HB2 ARG 8 HB2 ARG 8 -6.972 -0.014 -2.097 74 HB3 ARG 8 HB1 ARG 8 -5.520 -0.174 -3.073 75 HG2 ARG 8 HG2 ARG 8 -7.335 -1.464 -4.018 76 HG3 ARG 8 HG1 ARG 8 -6.049 -2.531 -3.458 77 HD2 ARG 8 HD2 ARG 8 -7.286 -3.136 -1.520 78 HD3 ARG 8 HD1 ARG 8 -8.493 -1.890 -1.830 79 HE ARG 8 HE ARG 8 -8.557 -3.483 -4.050 80 HH11 ARG 8 HH11 ARG 8 -8.955 -4.038 -0.616 81 HH12 ARG 8 HH12 ARG 8 -10.088 -5.333 -0.827 82 HH21 ARG 8 HH21 ARG 8 -10.040 -5.196 -4.328 83 HH22 ARG 8 HH22 ARG 8 -10.710 -5.985 -2.935 84 H GLY 9 HN GLY 9 -5.301 1.378 -0.699 85 HA2 GLY 9 HA2 GLY 9 -2.688 2.000 -1.472 86 HA3 GLY 9 HA1 GLY 9 -3.672 2.958 -0.378 87 H TYR 10 HN TYR 10 -3.936 0.704 1.492 88 HA TYR 10 HA TYR 10 -1.776 1.200 3.191 89 HB2 TYR 10 HB2 TYR 10 -3.742 0.439 4.219 90 HB3 TYR 10 HB1 TYR 10 -3.908 -0.915 3.110 91 HD1 TYR 10 HD1 TYR 10 -1.670 0.369 5.809 92 HD2 TYR 10 HD2 TYR 10 -3.252 -3.022 3.781 93 HE1 TYR 10 HE1 TYR 10 -0.586 -1.109 7.448 94 HE2 TYR 10 HE2 TYR 10 -2.168 -4.508 5.414 95 HH TYR 10 HH TYR 10 -0.280 -4.461 6.976 96 H TRP 11 HN TRP 11 -2.446 -1.749 1.239 97 HA TRP 11 HA TRP 11 0.135 -2.767 2.000 98 HB2 TRP 11 HB2 TRP 11 -0.396 -4.741 0.721 99 HB3 TRP 11 HB1 TRP 11 -1.749 -4.299 1.740 100 HD1 TRP 11 HD1 TRP 11 -4.014 -3.628 0.555 101 HE1 TRP 11 HE1 TRP 11 -4.877 -3.981 -1.841 102 HE3 TRP 11 HE3 TRP 11 0.406 -4.748 -1.742 103 HZ2 TRP 11 HZ2 TRP 11 -3.828 -4.647 -4.365 104 HZ3 TRP 11 HZ3 TRP 11 0.389 -5.243 -4.151 105 HH2 TRP 11 HH2 TRP 11 -1.687 -5.193 -5.435 106 H LEU 12 HN LEU 12 -1.188 -1.074 -0.722 107 HA LEU 12 HA LEU 12 0.869 -1.606 -2.571 108 HB2 LEU 12 HB2 LEU 12 -1.008 0.729 -2.277 109 HB3 LEU 12 HB1 LEU 12 0.097 0.548 -3.623 110 HG LEU 12 HG LEU 12 -2.005 -1.496 -2.928 111 HD11 LEU 12 HD11 LEU 12 -3.069 0.642 -3.483 112 HD12 LEU 12 HD12 LEU 12 -3.315 -0.544 -4.764 113 HD13 LEU 12 HD13 LEU 12 -2.118 0.735 -4.965 114 HD21 LEU 12 HD21 LEU 12 -0.337 -1.023 -5.402 115 HD22 LEU 12 HD22 LEU 12 -1.600 -2.241 -5.234 116 HD23 LEU 12 HD23 LEU 12 -0.143 -2.342 -4.247 117 H THR 13 HN THR 13 0.725 0.481 0.185 118 HA THR 13 HA THR 13 3.235 1.751 -0.572 119 HB THR 13 HB THR 13 2.971 2.909 1.681 120 HG1 THR 13 HG1 THR 13 0.256 2.119 1.492 121 HG21 THR 13 HG21 THR 13 2.435 3.967 -0.468 122 HG22 THR 13 HG22 THR 13 1.329 4.487 0.803 123 HG23 THR 13 HG23 THR 13 0.806 3.295 -0.388 124 H ASN 14 HN ASN 14 2.017 -0.686 1.631 125 HA ASN 14 HA ASN 14 4.390 -0.606 3.286 126 HB2 ASN 14 HB2 ASN 14 1.740 -1.929 3.426 127 HB3 ASN 14 HB1 ASN 14 3.056 -2.589 4.394 128 HD21 ASN 14 HD21 ASN 14 1.032 0.208 3.836 129 HD22 ASN 14 HD22 ASN 14 1.349 0.975 5.355 130 H LYS 15 HN LYS 15 2.950 -2.913 0.976 131 HA LYS 15 HA LYS 15 4.762 -5.035 1.565 132 HB2 LYS 15 HB2 LYS 15 3.175 -4.494 -0.931 133 HB3 LYS 15 HB1 LYS 15 4.057 -5.974 -0.599 134 HG2 LYS 15 HG2 LYS 15 2.627 -6.111 1.521 135 HG3 LYS 15 HG1 LYS 15 1.621 -4.901 0.717 136 HD2 LYS 15 HD2 LYS 15 1.378 -6.396 -1.210 137 HD3 LYS 15 HD1 LYS 15 2.388 -7.590 -0.404 138 HE2 LYS 15 HE2 LYS 15 -0.266 -6.596 0.624 139 HE3 LYS 15 HE1 LYS 15 -0.026 -8.097 -0.262 140 HZ1 LYS 15 HZ1 LYS 15 1.227 -7.435 2.346 141 HZ2 LYS 15 HZ2 LYS 15 1.390 -8.891 1.504 142 HZ3 LYS 15 HZ3 LYS 15 -0.113 -8.445 2.134 143 H VAL 16 HN VAL 16 5.261 -2.118 0.278 144 HA VAL 16 HA VAL 16 7.208 -2.878 -1.745 145 HB VAL 16 HB VAL 16 6.511 -0.078 -0.936 146 HG11 VAL 16 HG11 VAL 16 7.286 -1.311 -3.572 147 HG12 VAL 16 HG12 VAL 16 8.343 -0.378 -2.513 148 HG13 VAL 16 HG13 VAL 16 6.962 0.398 -3.290 149 HG21 VAL 16 HG21 VAL 16 4.401 -1.309 -1.183 150 HG22 VAL 16 HG22 VAL 16 4.910 -1.827 -2.796 151 HG23 VAL 16 HG23 VAL 16 4.626 -0.117 -2.471 152 HA PRO 17 HA PRO 17 10.271 -2.444 1.550 153 HB2 PRO 17 HB2 PRO 17 12.387 -3.214 0.005 154 HB3 PRO 17 HB1 PRO 17 11.308 -4.351 0.821 155 HG2 PRO 17 HG2 PRO 17 11.330 -3.470 -2.033 156 HG3 PRO 17 HG1 PRO 17 11.026 -5.082 -1.358 157 HD2 PRO 17 HD2 PRO 17 9.041 -3.450 -2.217 158 HD3 PRO 17 HD1 PRO 17 8.824 -4.604 -0.886 159 H ILE 18 HN ILE 18 11.143 -0.540 2.059 160 HA ILE 18 HA ILE 18 11.743 1.372 -0.033 161 HB ILE 18 HB ILE 18 12.081 1.719 2.954 162 HG12 ILE 18 HG12 ILE 18 9.738 2.484 1.195 163 HG13 ILE 18 HG11 ILE 18 9.745 1.159 2.352 164 HG21 ILE 18 HG21 ILE 18 11.969 4.121 2.419 165 HG22 ILE 18 HG22 ILE 18 11.899 3.720 0.702 166 HG23 ILE 18 HG23 ILE 18 13.339 3.328 1.641 167 HD11 ILE 18 HD11 ILE 18 10.051 2.755 4.173 168 HD12 ILE 18 HD12 ILE 18 8.596 3.104 3.238 169 HD13 ILE 18 HD13 ILE 18 10.047 4.080 3.009 170 H LYS 19 HN LYS 19 13.406 -0.136 -0.847 171 HA LYS 19 HA LYS 19 15.812 -0.550 0.603 172 HB2 LYS 19 HB2 LYS 19 14.908 -1.921 -1.347 173 HB3 LYS 19 HB1 LYS 19 15.471 -0.624 -2.392 174 HG2 LYS 19 HG2 LYS 19 17.744 -0.957 -1.592 175 HG3 LYS 19 HG1 LYS 19 17.173 -2.247 -0.536 176 HD2 LYS 19 HD2 LYS 19 16.404 -3.496 -2.518 177 HD3 LYS 19 HD1 LYS 19 17.049 -2.216 -3.549 178 HE2 LYS 19 HE2 LYS 19 18.611 -4.070 -3.424 179 HE3 LYS 19 HE1 LYS 19 19.291 -2.637 -2.657 180 HZ1 LYS 19 HZ1 LYS 19 18.035 -4.927 -1.244 181 HZ2 LYS 19 HZ2 LYS 19 18.675 -3.551 -0.503 182 HZ3 LYS 19 HZ3 LYS 19 19.693 -4.610 -1.335 183 H ARG 20 HN ARG 20 14.790 1.666 -1.935 184 HA ARG 20 HA ARG 20 17.215 3.258 -1.547 185 HB2 ARG 20 HB2 ARG 20 15.038 3.364 -3.645 186 HB3 ARG 20 HB1 ARG 20 16.356 4.527 -3.546 187 HG2 ARG 20 HG2 ARG 20 17.975 2.786 -3.926 188 HG3 ARG 20 HG1 ARG 20 16.711 1.562 -3.898 189 HD2 ARG 20 HD2 ARG 20 17.363 2.072 -6.183 190 HD3 ARG 20 HD1 ARG 20 15.698 2.566 -5.887 191 HE ARG 20 HE ARG 20 17.386 4.758 -5.413 192 HH11 ARG 20 HH11 ARG 20 16.339 2.752 -8.080 193 HH12 ARG 20 HH12 ARG 20 16.417 4.035 -9.245 194 HH21 ARG 20 HH21 ARG 20 17.514 6.448 -6.951 195 HH22 ARG 20 HH22 ARG 20 17.097 6.135 -8.606 196 HA PRO 21 HA PRO 21 15.447 6.036 1.364 197 HB2 PRO 21 HB2 PRO 21 16.710 8.064 -0.434 198 HB3 PRO 21 HB1 PRO 21 16.798 7.913 1.324 199 HG2 PRO 21 HG2 PRO 21 18.811 7.118 -0.254 200 HG3 PRO 21 HG1 PRO 21 18.398 6.254 1.236 201 HD2 PRO 21 HD2 PRO 21 17.989 5.449 -1.577 202 HD3 PRO 21 HD1 PRO 21 18.119 4.449 -0.119 203 H SER 22 HN SER 22 13.262 6.121 1.119 204 HA SER 22 HA SER 22 12.224 8.049 -0.837 205 HB2 SER 22 HB2 SER 22 10.887 5.410 -0.184 206 HB3 SER 22 HB1 SER 22 10.370 6.595 -1.383 207 HG SER 22 HG SER 22 12.814 5.130 -1.434 Start of MODEL 5 1 H1 LEU 1 HT1 LEU 1 -13.473 7.646 2.522 2 H2 LEU 1 HT2 LEU 1 -12.310 8.862 2.667 3 H3 LEU 1 HT3 LEU 1 -11.876 7.245 2.904 4 HA LEU 1 HA LEU 1 -12.869 8.374 0.373 5 HB2 LEU 1 HB2 LEU 1 -10.478 7.968 -0.379 6 HB3 LEU 1 HB1 LEU 1 -10.795 9.368 0.625 7 HG LEU 1 HG LEU 1 -10.067 7.761 2.573 8 HD11 LEU 1 HD11 LEU 1 -9.881 5.752 1.187 9 HD12 LEU 1 HD12 LEU 1 -8.338 6.190 1.918 10 HD13 LEU 1 HD13 LEU 1 -8.638 6.542 0.215 11 HD21 LEU 1 HD21 LEU 1 -8.986 9.835 1.924 12 HD22 LEU 1 HD22 LEU 1 -8.125 8.992 0.637 13 HD23 LEU 1 HD23 LEU 1 -7.799 8.593 2.324 14 H ARG 2 HN ARG 2 -13.911 6.074 1.627 15 HA ARG 2 HA ARG 2 -14.587 3.979 1.058 16 HB2 ARG 2 HB2 ARG 2 -14.229 4.793 -1.314 17 HB3 ARG 2 HB1 ARG 2 -12.639 4.053 -1.228 18 HG2 ARG 2 HG2 ARG 2 -13.983 2.495 -2.331 19 HG3 ARG 2 HG1 ARG 2 -13.829 1.887 -0.683 20 HD2 ARG 2 HD2 ARG 2 -16.159 3.564 -1.575 21 HD3 ARG 2 HD1 ARG 2 -16.143 1.814 -1.749 22 HE ARG 2 HE ARG 2 -16.156 3.302 0.792 23 HH11 ARG 2 HH11 ARG 2 -16.498 0.305 -0.989 24 HH12 ARG 2 HH12 ARG 2 -17.225 -0.548 0.333 25 HH21 ARG 2 HH21 ARG 2 -17.122 2.174 2.549 26 HH22 ARG 2 HH22 ARG 2 -17.587 0.515 2.340 27 H LEU 3 HN LEU 3 -14.021 2.321 2.256 28 HA LEU 3 HA LEU 3 -11.458 2.051 3.319 29 HB2 LEU 3 HB2 LEU 3 -12.316 -0.263 4.026 30 HB3 LEU 3 HB1 LEU 3 -13.081 1.167 4.696 31 HG LEU 3 HG LEU 3 -14.806 0.818 2.766 32 HD11 LEU 3 HD11 LEU 3 -13.536 -0.930 1.605 33 HD12 LEU 3 HD12 LEU 3 -15.121 -1.500 2.126 34 HD13 LEU 3 HD13 LEU 3 -13.678 -1.966 3.025 35 HD21 LEU 3 HD21 LEU 3 -15.363 0.643 5.090 36 HD22 LEU 3 HD22 LEU 3 -14.620 -0.951 5.185 37 HD23 LEU 3 HD23 LEU 3 -16.080 -0.715 4.224 38 H ILE 4 HN ILE 4 -12.889 0.626 0.508 39 HA ILE 4 HA ILE 4 -11.057 -1.435 0.125 40 HB ILE 4 HB ILE 4 -12.483 0.218 -1.968 41 HG12 ILE 4 HG12 ILE 4 -14.008 -0.966 -0.477 42 HG13 ILE 4 HG11 ILE 4 -14.017 -1.713 -2.068 43 HG21 ILE 4 HG21 ILE 4 -12.030 -1.641 -3.508 44 HG22 ILE 4 HG22 ILE 4 -11.045 -2.416 -2.268 45 HG23 ILE 4 HG23 ILE 4 -10.547 -0.870 -2.949 46 HD11 ILE 4 HD11 ILE 4 -14.051 -3.401 -0.356 47 HD12 ILE 4 HD12 ILE 4 -12.592 -2.735 0.374 48 HD13 ILE 4 HD13 ILE 4 -12.520 -3.469 -1.227 49 H HIS 5 HN HIS 5 -10.932 1.982 -0.791 50 HA HIS 5 HA HIS 5 -8.386 1.824 -2.058 51 HB2 HIS 5 HB2 HIS 5 -9.991 4.129 -0.971 52 HB3 HIS 5 HB1 HIS 5 -8.384 4.356 -1.644 53 HD1 HIS 5 HD1 HIS 5 -8.377 4.939 -4.032 54 HD2 HIS 5 HD2 HIS 5 -11.765 2.776 -2.984 55 HE1 HIS 5 HE1 HIS 5 -9.788 4.847 -6.101 56 HE2 HIS 5 HE2 HIS 5 -11.903 3.679 -5.401 57 H ALA 6 HN ALA 6 -9.484 2.328 1.220 58 HA ALA 6 HA ALA 6 -7.058 3.251 2.316 59 HB1 ALA 6 HB1 ALA 6 -9.233 1.668 3.680 60 HB2 ALA 6 HB2 ALA 6 -9.213 3.420 3.479 61 HB3 ALA 6 HB3 ALA 6 -7.988 2.633 4.473 62 H VAL 7 HN VAL 7 -8.450 -0.034 2.173 63 HA VAL 7 HA VAL 7 -6.160 -1.248 3.334 64 HB VAL 7 HB VAL 7 -8.253 -2.391 3.548 65 HG11 VAL 7 HG11 VAL 7 -9.400 -3.395 1.607 66 HG12 VAL 7 HG12 VAL 7 -8.288 -2.531 0.544 67 HG13 VAL 7 HG13 VAL 7 -9.397 -1.629 1.582 68 HG21 VAL 7 HG21 VAL 7 -6.443 -3.945 1.702 69 HG22 VAL 7 HG22 VAL 7 -7.669 -4.633 2.770 70 HG23 VAL 7 HG23 VAL 7 -6.269 -3.805 3.451 71 H ARG 8 HN ARG 8 -7.196 -0.786 -0.045 72 HA ARG 8 HA ARG 8 -5.116 -2.261 -1.223 73 HB2 ARG 8 HB2 ARG 8 -6.979 -0.152 -2.141 74 HB3 ARG 8 HB1 ARG 8 -5.504 -0.342 -3.078 75 HG2 ARG 8 HG2 ARG 8 -7.296 -1.649 -4.041 76 HG3 ARG 8 HG1 ARG 8 -6.029 -2.704 -3.420 77 HD2 ARG 8 HD2 ARG 8 -7.344 -3.133 -1.421 78 HD3 ARG 8 HD1 ARG 8 -8.602 -2.043 -2.001 79 HE ARG 8 HE ARG 8 -8.403 -3.853 -3.998 80 HH11 ARG 8 HH11 ARG 8 -8.827 -4.127 -0.544 81 HH12 ARG 8 HH12 ARG 8 -9.689 -5.626 -0.628 82 HH21 ARG 8 HH21 ARG 8 -9.562 -5.819 -4.135 83 HH22 ARG 8 HH22 ARG 8 -10.116 -6.589 -2.682 84 H GLY 9 HN GLY 9 -5.339 1.252 -0.703 85 HA2 GLY 9 HA2 GLY 9 -2.732 1.905 -1.424 86 HA3 GLY 9 HA1 GLY 9 -3.717 2.822 -0.295 87 H TYR 10 HN TYR 10 -3.981 0.562 1.541 88 HA TYR 10 HA TYR 10 -1.841 1.007 3.251 89 HB2 TYR 10 HB2 TYR 10 -3.705 0.128 4.312 90 HB3 TYR 10 HB1 TYR 10 -3.961 -1.100 3.078 91 HD1 TYR 10 HD1 TYR 10 -3.440 -3.281 3.583 92 HD2 TYR 10 HD2 TYR 10 -1.462 -0.168 5.710 93 HE1 TYR 10 HE1 TYR 10 -2.318 -4.959 4.989 94 HE2 TYR 10 HE2 TYR 10 -0.340 -1.841 7.121 95 HH TYR 10 HH TYR 10 -0.620 -4.126 7.841 96 H TRP 11 HN TRP 11 -2.404 -2.028 1.380 97 HA TRP 11 HA TRP 11 0.211 -2.915 2.066 98 HB2 TRP 11 HB2 TRP 11 -0.181 -4.820 0.591 99 HB3 TRP 11 HB1 TRP 11 -1.536 -4.544 1.664 100 HD1 TRP 11 HD1 TRP 11 -3.854 -3.811 0.572 101 HE1 TRP 11 HE1 TRP 11 -4.756 -4.066 -1.825 102 HE3 TRP 11 HE3 TRP 11 0.550 -4.731 -1.863 103 HZ2 TRP 11 HZ2 TRP 11 -3.738 -4.574 -4.404 104 HZ3 TRP 11 HZ3 TRP 11 0.495 -5.094 -4.296 105 HH2 TRP 11 HH2 TRP 11 -1.606 -5.019 -5.538 106 H LEU 12 HN LEU 12 -1.139 -1.224 -0.665 107 HA LEU 12 HA LEU 12 0.937 -1.570 -2.491 108 HB2 LEU 12 HB2 LEU 12 -0.975 0.711 -2.062 109 HB3 LEU 12 HB1 LEU 12 0.145 0.646 -3.406 110 HG LEU 12 HG LEU 12 -1.897 -1.507 -2.872 111 HD11 LEU 12 HD11 LEU 12 -2.084 0.872 -4.730 112 HD12 LEU 12 HD12 LEU 12 -3.052 0.608 -3.280 113 HD13 LEU 12 HD13 LEU 12 -3.222 -0.472 -4.662 114 HD21 LEU 12 HD21 LEU 12 -0.232 -0.797 -5.290 115 HD22 LEU 12 HD22 LEU 12 -1.457 -2.064 -5.227 116 HD23 LEU 12 HD23 LEU 12 -0.004 -2.192 -4.236 117 H THR 13 HN THR 13 0.655 0.655 0.229 118 HA THR 13 HA THR 13 3.132 1.993 -0.515 119 HB THR 13 HB THR 13 2.718 3.322 1.587 120 HG1 THR 13 HG1 THR 13 0.096 2.258 1.551 121 HG21 THR 13 HG21 THR 13 0.859 4.597 0.635 122 HG22 THR 13 HG22 THR 13 0.501 3.259 -0.457 123 HG23 THR 13 HG23 THR 13 2.023 4.137 -0.607 124 H ASN 14 HN ASN 14 2.302 -0.765 1.163 125 HA ASN 14 HA ASN 14 4.436 -0.468 3.150 126 HB2 ASN 14 HB2 ASN 14 1.958 -2.060 2.985 127 HB3 ASN 14 HB1 ASN 14 3.304 -2.777 3.870 128 HD21 ASN 14 HD21 ASN 14 1.071 -0.097 3.722 129 HD22 ASN 14 HD22 ASN 14 1.322 0.459 5.341 130 H LYS 15 HN LYS 15 3.475 -2.508 0.433 131 HA LYS 15 HA LYS 15 5.467 -4.482 0.676 132 HB2 LYS 15 HB2 LYS 15 4.457 -3.316 -1.927 133 HB3 LYS 15 HB1 LYS 15 5.145 -4.911 -1.679 134 HG2 LYS 15 HG2 LYS 15 2.568 -3.976 -0.454 135 HG3 LYS 15 HG1 LYS 15 2.682 -4.872 -1.969 136 HD2 LYS 15 HD2 LYS 15 3.781 -5.882 0.646 137 HD3 LYS 15 HD1 LYS 15 2.157 -6.254 0.067 138 HE2 LYS 15 HE2 LYS 15 3.275 -7.117 -2.044 139 HE3 LYS 15 HE1 LYS 15 4.795 -7.018 -1.158 140 HZ1 LYS 15 HZ1 LYS 15 3.878 -8.526 0.498 141 HZ2 LYS 15 HZ2 LYS 15 3.856 -9.231 -1.039 142 HZ3 LYS 15 HZ3 LYS 15 2.427 -8.622 -0.367 143 H VAL 16 HN VAL 16 5.540 -1.213 -0.233 144 HA VAL 16 HA VAL 16 7.827 -1.049 -1.831 145 HB VAL 16 HB VAL 16 6.979 1.104 0.081 146 HG11 VAL 16 HG11 VAL 16 7.593 2.580 -1.784 147 HG12 VAL 16 HG12 VAL 16 8.061 1.166 -2.729 148 HG13 VAL 16 HG13 VAL 16 8.937 1.568 -1.253 149 HG21 VAL 16 HG21 VAL 16 4.913 0.264 -0.823 150 HG22 VAL 16 HG22 VAL 16 5.575 0.304 -2.461 151 HG23 VAL 16 HG23 VAL 16 5.296 1.811 -1.589 152 HA PRO 17 HA PRO 17 10.955 -1.694 1.364 153 HB2 PRO 17 HB2 PRO 17 12.791 -0.852 -0.743 154 HB3 PRO 17 HB1 PRO 17 12.731 -2.383 0.129 155 HG2 PRO 17 HG2 PRO 17 12.040 -2.173 -2.480 156 HG3 PRO 17 HG1 PRO 17 11.288 -3.344 -1.380 157 HD2 PRO 17 HD2 PRO 17 10.233 -0.737 -2.388 158 HD3 PRO 17 HD1 PRO 17 9.376 -2.261 -2.079 159 H ILE 18 HN ILE 18 11.440 -0.130 2.777 160 HA ILE 18 HA ILE 18 11.230 2.623 1.923 161 HB ILE 18 HB ILE 18 11.765 1.559 4.704 162 HG12 ILE 18 HG12 ILE 18 9.150 2.427 3.446 163 HG13 ILE 18 HG11 ILE 18 9.612 0.760 3.769 164 HG21 ILE 18 HG21 ILE 18 12.433 3.880 4.434 165 HG22 ILE 18 HG22 ILE 18 10.985 3.776 5.435 166 HG23 ILE 18 HG23 ILE 18 10.856 4.275 3.749 167 HD11 ILE 18 HD11 ILE 18 8.084 1.611 5.456 168 HD12 ILE 18 HD12 ILE 18 9.217 2.909 5.836 169 HD13 ILE 18 HD13 ILE 18 9.660 1.231 6.156 170 H LYS 19 HN LYS 19 13.096 2.581 0.585 171 HA LYS 19 HA LYS 19 15.714 2.292 1.648 172 HB2 LYS 19 HB2 LYS 19 14.940 2.159 -0.804 173 HB3 LYS 19 HB1 LYS 19 14.938 3.915 -0.777 174 HG2 LYS 19 HG2 LYS 19 17.350 2.285 -0.084 175 HG3 LYS 19 HG1 LYS 19 16.987 2.795 -1.729 176 HD2 LYS 19 HD2 LYS 19 17.032 5.135 -1.012 177 HD3 LYS 19 HD1 LYS 19 17.392 4.624 0.638 178 HE2 LYS 19 HE2 LYS 19 19.118 4.099 -1.776 179 HE3 LYS 19 HE1 LYS 19 19.398 5.360 -0.578 180 HZ1 LYS 19 HZ1 LYS 19 19.620 3.618 1.109 181 HZ2 LYS 19 HZ2 LYS 19 20.769 3.455 -0.120 182 HZ3 LYS 19 HZ3 LYS 19 19.423 2.434 -0.081 183 H ARG 20 HN ARG 20 13.866 5.141 0.601 184 HA ARG 20 HA ARG 20 15.476 6.806 2.401 185 HB2 ARG 20 HB2 ARG 20 14.491 8.717 1.177 186 HB3 ARG 20 HB1 ARG 20 15.359 7.621 0.113 187 HG2 ARG 20 HG2 ARG 20 13.397 6.794 -0.834 188 HG3 ARG 20 HG1 ARG 20 12.396 7.403 0.485 189 HD2 ARG 20 HD2 ARG 20 13.855 9.089 -1.544 190 HD3 ARG 20 HD1 ARG 20 12.130 8.732 -1.552 191 HE ARG 20 HE ARG 20 13.371 10.139 0.715 192 HH11 ARG 20 HH11 ARG 20 11.007 10.033 -1.868 193 HH12 ARG 20 HH12 ARG 20 10.164 11.447 -1.322 194 HH21 ARG 20 HH21 ARG 20 12.269 11.999 1.431 195 HH22 ARG 20 HH22 ARG 20 10.885 12.570 0.551 196 HA PRO 21 HA PRO 21 12.102 7.098 5.324 197 HB2 PRO 21 HB2 PRO 21 13.067 9.859 5.787 198 HB3 PRO 21 HB1 PRO 21 12.882 8.526 6.931 199 HG2 PRO 21 HG2 PRO 21 15.298 9.318 6.108 200 HG3 PRO 21 HG1 PRO 21 14.934 7.607 6.396 201 HD2 PRO 21 HD2 PRO 21 15.131 9.094 3.809 202 HD3 PRO 21 HD1 PRO 21 15.687 7.457 4.218 203 H SER 22 HN SER 22 10.457 7.146 3.735 204 HA SER 22 HA SER 22 9.735 9.707 2.565 205 HB2 SER 22 HB2 SER 22 8.416 7.010 2.195 206 HB3 SER 22 HB1 SER 22 8.222 8.436 1.176 207 HG SER 22 HG SER 22 10.750 7.227 1.595 Start of MODEL 6 1 H1 LEU 1 HT1 LEU 1 -15.347 8.342 -0.246 2 H2 LEU 1 HT2 LEU 1 -14.482 9.538 0.576 3 H3 LEU 1 HT3 LEU 1 -15.575 8.557 1.415 4 HA LEU 1 HA LEU 1 -13.137 7.579 0.069 5 HB2 LEU 1 HB2 LEU 1 -13.669 8.446 2.876 6 HB3 LEU 1 HB1 LEU 1 -12.570 7.115 2.601 7 HG LEU 1 HG LEU 1 -11.194 8.610 1.158 8 HD11 LEU 1 HD11 LEU 1 -13.073 10.735 2.163 9 HD12 LEU 1 HD12 LEU 1 -12.866 10.217 0.491 10 HD13 LEU 1 HD13 LEU 1 -11.549 11.035 1.331 11 HD21 LEU 1 HD21 LEU 1 -11.654 9.553 3.984 12 HD22 LEU 1 HD22 LEU 1 -10.220 9.880 3.007 13 HD23 LEU 1 HD23 LEU 1 -10.605 8.225 3.484 14 H ARG 2 HN ARG 2 -12.721 5.362 0.401 15 HA ARG 2 HA ARG 2 -14.842 3.792 1.668 16 HB2 ARG 2 HB2 ARG 2 -15.260 3.997 -0.835 17 HB3 ARG 2 HB1 ARG 2 -13.762 3.103 -1.053 18 HG2 ARG 2 HG2 ARG 2 -15.716 1.651 -1.237 19 HG3 ARG 2 HG1 ARG 2 -14.683 1.195 0.117 20 HD2 ARG 2 HD2 ARG 2 -16.186 2.336 1.660 21 HD3 ARG 2 HD1 ARG 2 -17.204 2.841 0.314 22 HE ARG 2 HE ARG 2 -17.371 0.269 -0.033 23 HH11 ARG 2 HH11 ARG 2 -17.296 1.954 3.035 24 HH12 ARG 2 HH12 ARG 2 -18.259 0.770 3.855 25 HH21 ARG 2 HH21 ARG 2 -18.660 -1.286 1.040 26 HH22 ARG 2 HH22 ARG 2 -19.038 -1.076 2.721 27 H LEU 3 HN LEU 3 -14.145 1.922 2.559 28 HA LEU 3 HA LEU 3 -11.517 1.797 3.386 29 HB2 LEU 3 HB2 LEU 3 -12.160 -0.622 4.023 30 HB3 LEU 3 HB1 LEU 3 -12.922 0.733 4.841 31 HG LEU 3 HG LEU 3 -14.835 0.432 3.144 32 HD11 LEU 3 HD11 LEU 3 -13.510 -2.258 2.847 33 HD12 LEU 3 HD12 LEU 3 -13.632 -1.028 1.588 34 HD13 LEU 3 HD13 LEU 3 -15.092 -1.796 2.215 35 HD21 LEU 3 HD21 LEU 3 -15.835 -1.350 4.494 36 HD22 LEU 3 HD22 LEU 3 -15.046 -0.120 5.480 37 HD23 LEU 3 HD23 LEU 3 -14.256 -1.673 5.208 38 H ILE 4 HN ILE 4 -12.947 0.369 0.583 39 HA ILE 4 HA ILE 4 -11.015 -1.556 0.046 40 HB ILE 4 HB ILE 4 -12.639 0.129 -1.863 41 HG12 ILE 4 HG12 ILE 4 -13.938 -1.394 -0.458 42 HG13 ILE 4 HG11 ILE 4 -13.952 -1.934 -2.131 43 HG21 ILE 4 HG21 ILE 4 -12.044 -1.482 -3.616 44 HG22 ILE 4 HG22 ILE 4 -10.918 -2.263 -2.504 45 HG23 ILE 4 HG23 ILE 4 -10.636 -0.601 -3.022 46 HD11 ILE 4 HD11 ILE 4 -13.701 -3.827 -0.699 47 HD12 ILE 4 HD12 ILE 4 -12.333 -3.083 0.124 48 HD13 ILE 4 HD13 ILE 4 -12.186 -3.573 -1.564 49 H HIS 5 HN HIS 5 -11.097 1.884 -0.823 50 HA HIS 5 HA HIS 5 -8.563 1.894 -2.106 51 HB2 HIS 5 HB2 HIS 5 -10.260 4.093 -0.931 52 HB3 HIS 5 HB1 HIS 5 -8.692 4.411 -1.656 53 HD1 HIS 5 HD1 HIS 5 -8.992 5.299 -3.931 54 HD2 HIS 5 HD2 HIS 5 -11.847 2.420 -3.014 55 HE1 HIS 5 HE1 HIS 5 -10.432 5.095 -5.977 56 HE2 HIS 5 HE2 HIS 5 -12.104 3.296 -5.436 57 H ALA 6 HN ALA 6 -9.644 2.311 1.192 58 HA ALA 6 HA ALA 6 -7.276 3.330 2.298 59 HB1 ALA 6 HB1 ALA 6 -8.161 2.621 4.442 60 HB2 ALA 6 HB2 ALA 6 -9.344 1.593 3.634 61 HB3 ALA 6 HB3 ALA 6 -9.436 3.345 3.462 62 H VAL 7 HN VAL 7 -8.459 -0.038 2.127 63 HA VAL 7 HA VAL 7 -6.106 -1.099 3.305 64 HB VAL 7 HB VAL 7 -8.117 -2.380 3.491 65 HG11 VAL 7 HG11 VAL 7 -8.109 -2.550 0.486 66 HG12 VAL 7 HG12 VAL 7 -9.282 -1.701 1.498 67 HG13 VAL 7 HG13 VAL 7 -9.179 -3.462 1.551 68 HG21 VAL 7 HG21 VAL 7 -6.060 -3.661 3.450 69 HG22 VAL 7 HG22 VAL 7 -6.154 -3.792 1.693 70 HG23 VAL 7 HG23 VAL 7 -7.367 -4.577 2.704 71 H ARG 8 HN ARG 8 -7.122 -0.650 -0.063 72 HA ARG 8 HA ARG 8 -5.032 -2.071 -1.264 73 HB2 ARG 8 HB2 ARG 8 -6.914 0.035 -2.131 74 HB3 ARG 8 HB1 ARG 8 -5.443 -0.123 -3.082 75 HG2 ARG 8 HG2 ARG 8 -7.242 -1.430 -4.044 76 HG3 ARG 8 HG1 ARG 8 -5.947 -2.478 -3.474 77 HD2 ARG 8 HD2 ARG 8 -7.203 -3.054 -1.514 78 HD3 ARG 8 HD1 ARG 8 -8.450 -1.878 -1.915 79 HE ARG 8 HE ARG 8 -8.337 -3.576 -4.068 80 HH11 ARG 8 HH11 ARG 8 -8.894 -3.953 -0.636 81 HH12 ARG 8 HH12 ARG 8 -9.981 -5.289 -0.827 82 HH21 ARG 8 HH21 ARG 8 -9.787 -5.322 -4.326 83 HH22 ARG 8 HH22 ARG 8 -10.494 -6.063 -2.926 84 H GLY 9 HN GLY 9 -5.259 1.444 -0.734 85 HA2 GLY 9 HA2 GLY 9 -2.642 2.069 -1.477 86 HA3 GLY 9 HA1 GLY 9 -3.628 3.022 -0.376 87 H TYR 10 HN TYR 10 -3.934 0.909 1.563 88 HA TYR 10 HA TYR 10 -1.743 1.295 3.221 89 HB2 TYR 10 HB2 TYR 10 -3.676 0.578 4.305 90 HB3 TYR 10 HB1 TYR 10 -3.964 -0.718 3.153 91 HD1 TYR 10 HD1 TYR 10 -3.487 -2.877 3.767 92 HD2 TYR 10 HD2 TYR 10 -1.490 0.296 5.778 93 HE1 TYR 10 HE1 TYR 10 -2.447 -4.501 5.284 94 HE2 TYR 10 HE2 TYR 10 -0.447 -1.325 7.304 95 HH TYR 10 HH TYR 10 -0.796 -3.571 8.131 96 H TRP 11 HN TRP 11 -2.503 -1.732 1.403 97 HA TRP 11 HA TRP 11 0.032 -2.790 2.197 98 HB2 TRP 11 HB2 TRP 11 -0.522 -4.776 0.972 99 HB3 TRP 11 HB1 TRP 11 -1.927 -4.242 1.870 100 HD1 TRP 11 HD1 TRP 11 -4.079 -3.556 0.494 101 HE1 TRP 11 HE1 TRP 11 -4.765 -3.958 -1.953 102 HE3 TRP 11 HE3 TRP 11 0.468 -4.861 -1.417 103 HZ2 TRP 11 HZ2 TRP 11 -3.535 -4.726 -4.378 104 HZ3 TRP 11 HZ3 TRP 11 0.634 -5.421 -3.805 105 HH2 TRP 11 HH2 TRP 11 -1.328 -5.352 -5.255 106 H LEU 12 HN LEU 12 -1.137 -1.121 -0.611 107 HA LEU 12 HA LEU 12 0.926 -1.753 -2.398 108 HB2 LEU 12 HB2 LEU 12 -0.830 0.673 -2.130 109 HB3 LEU 12 HB1 LEU 12 0.302 0.461 -3.450 110 HG LEU 12 HG LEU 12 -1.910 -1.494 -2.831 111 HD11 LEU 12 HD11 LEU 12 -1.851 0.750 -4.859 112 HD12 LEU 12 HD12 LEU 12 -2.862 0.684 -3.416 113 HD13 LEU 12 HD13 LEU 12 -3.107 -0.479 -4.718 114 HD21 LEU 12 HD21 LEU 12 -1.466 -2.255 -5.127 115 HD22 LEU 12 HD22 LEU 12 -0.050 -2.426 -4.089 116 HD23 LEU 12 HD23 LEU 12 -0.139 -1.098 -5.246 117 H THR 13 HN THR 13 0.789 0.554 0.239 118 HA THR 13 HA THR 13 3.310 1.775 -0.550 119 HB THR 13 HB THR 13 2.981 3.101 1.586 120 HG1 THR 13 HG1 THR 13 0.304 2.194 1.522 121 HG21 THR 13 HG21 THR 13 1.197 4.491 0.640 122 HG22 THR 13 HG22 THR 13 0.791 3.195 -0.485 123 HG23 THR 13 HG23 THR 13 2.358 3.997 -0.593 124 H ASN 14 HN ASN 14 2.341 -0.902 1.200 125 HA ASN 14 HA ASN 14 4.584 -0.760 3.078 126 HB2 ASN 14 HB2 ASN 14 2.006 -2.218 3.009 127 HB3 ASN 14 HB1 ASN 14 3.340 -2.965 3.880 128 HD21 ASN 14 HD21 ASN 14 1.175 -0.233 3.735 129 HD22 ASN 14 HD22 ASN 14 1.483 0.340 5.339 130 H LYS 15 HN LYS 15 3.582 -2.387 0.207 131 HA LYS 15 HA LYS 15 5.378 -4.615 0.420 132 HB2 LYS 15 HB2 LYS 15 4.062 -3.339 -1.982 133 HB3 LYS 15 HB1 LYS 15 4.972 -4.840 -2.028 134 HG2 LYS 15 HG2 LYS 15 2.509 -4.380 -0.382 135 HG3 LYS 15 HG1 LYS 15 2.522 -5.150 -1.973 136 HD2 LYS 15 HD2 LYS 15 4.123 -6.844 -1.040 137 HD3 LYS 15 HD1 LYS 15 3.848 -6.140 0.553 138 HE2 LYS 15 HE2 LYS 15 1.697 -7.292 -1.218 139 HE3 LYS 15 HE1 LYS 15 2.474 -8.156 0.108 140 HZ1 LYS 15 HZ1 LYS 15 1.597 -6.595 1.662 141 HZ2 LYS 15 HZ2 LYS 15 0.319 -7.143 0.699 142 HZ3 LYS 15 HZ3 LYS 15 0.984 -5.614 0.430 143 H VAL 16 HN VAL 16 5.876 -1.430 0.133 144 HA VAL 16 HA VAL 16 7.836 -1.357 -1.969 145 HB VAL 16 HB VAL 16 7.254 0.834 0.003 146 HG11 VAL 16 HG11 VAL 16 9.104 1.195 -1.547 147 HG12 VAL 16 HG12 VAL 16 7.764 2.286 -1.896 148 HG13 VAL 16 HG13 VAL 16 8.033 0.869 -2.910 149 HG21 VAL 16 HG21 VAL 16 5.386 1.542 -1.369 150 HG22 VAL 16 HG22 VAL 16 5.111 -0.109 -0.789 151 HG23 VAL 16 HG23 VAL 16 5.635 0.176 -2.454 152 HA PRO 17 HA PRO 17 11.290 -2.470 0.681 153 HB2 PRO 17 HB2 PRO 17 12.770 -1.111 -1.497 154 HB3 PRO 17 HB1 PRO 17 13.009 -2.719 -0.810 155 HG2 PRO 17 HG2 PRO 17 11.896 -2.409 -3.211 156 HG3 PRO 17 HG1 PRO 17 11.327 -3.662 -2.092 157 HD2 PRO 17 HD2 PRO 17 10.094 -1.030 -2.781 158 HD3 PRO 17 HD1 PRO 17 9.316 -2.591 -2.447 159 H ILE 18 HN ILE 18 12.418 -1.353 2.197 160 HA ILE 18 HA ILE 18 12.179 1.553 2.117 161 HB ILE 18 HB ILE 18 12.656 -0.130 4.583 162 HG12 ILE 18 HG12 ILE 18 10.045 1.033 3.574 163 HG13 ILE 18 HG11 ILE 18 10.464 -0.677 3.547 164 HG21 ILE 18 HG21 ILE 18 13.354 2.240 4.664 165 HG22 ILE 18 HG22 ILE 18 12.035 1.883 5.780 166 HG23 ILE 18 HG23 ILE 18 11.705 2.717 4.262 167 HD11 ILE 18 HD11 ILE 18 10.148 1.027 6.006 168 HD12 ILE 18 HD12 ILE 18 10.570 -0.688 5.984 169 HD13 ILE 18 HD13 ILE 18 8.991 -0.159 5.399 170 H LYS 19 HN LYS 19 13.907 2.458 1.531 171 HA LYS 19 HA LYS 19 16.383 1.337 1.105 172 HB2 LYS 19 HB2 LYS 19 15.452 3.338 -0.010 173 HB3 LYS 19 HB1 LYS 19 15.703 4.255 1.467 174 HG2 LYS 19 HG2 LYS 19 17.495 4.777 0.030 175 HG3 LYS 19 HG1 LYS 19 18.120 3.707 1.282 176 HD2 LYS 19 HD2 LYS 19 19.038 2.980 -0.797 177 HD3 LYS 19 HD1 LYS 19 17.823 1.798 -0.309 178 HE2 LYS 19 HE2 LYS 19 16.202 2.874 -1.811 179 HE3 LYS 19 HE1 LYS 19 17.440 4.020 -2.316 180 HZ1 LYS 19 HZ1 LYS 19 17.266 2.271 -3.919 181 HZ2 LYS 19 HZ2 LYS 19 17.474 1.082 -2.734 182 HZ3 LYS 19 HZ3 LYS 19 18.750 2.122 -3.123 183 H ARG 20 HN ARG 20 15.120 2.385 4.094 184 HA ARG 20 HA ARG 20 17.340 3.423 5.399 185 HB2 ARG 20 HB2 ARG 20 16.281 2.843 7.473 186 HB3 ARG 20 HB1 ARG 20 15.038 3.356 6.344 187 HG2 ARG 20 HG2 ARG 20 14.272 1.150 6.029 188 HG3 ARG 20 HG1 ARG 20 15.699 0.463 6.804 189 HD2 ARG 20 HD2 ARG 20 13.589 2.137 8.165 190 HD3 ARG 20 HD1 ARG 20 13.740 0.383 8.272 191 HE ARG 20 HE ARG 20 16.020 2.009 9.105 192 HH11 ARG 20 HH11 ARG 20 13.295 0.013 10.022 193 HH12 ARG 20 HH12 ARG 20 13.899 -0.295 11.620 194 HH21 ARG 20 HH21 ARG 20 16.820 1.609 11.194 195 HH22 ARG 20 HH22 ARG 20 15.905 0.620 12.288 196 HA PRO 21 HA PRO 21 20.221 0.022 5.531 197 HB2 PRO 21 HB2 PRO 21 21.191 1.337 7.997 198 HB3 PRO 21 HB1 PRO 21 22.071 0.928 6.523 199 HG2 PRO 21 HG2 PRO 21 21.431 3.459 7.103 200 HG3 PRO 21 HG1 PRO 21 21.410 2.856 5.435 201 HD2 PRO 21 HD2 PRO 21 19.129 3.365 7.297 202 HD3 PRO 21 HD1 PRO 21 19.247 3.642 5.548 203 H SER 22 HN SER 22 18.996 -1.724 6.115 204 HA SER 22 HA SER 22 18.190 -1.996 8.914 205 HB2 SER 22 HB2 SER 22 17.458 -3.796 6.597 206 HB3 SER 22 HB1 SER 22 16.662 -3.682 8.168 207 HG SER 22 HG SER 22 16.806 -1.312 6.751 Start of MODEL 7 1 H1 LEU 1 HT1 LEU 1 -11.640 9.587 -0.557 2 H2 LEU 1 HT2 LEU 1 -11.391 8.397 -1.728 3 H3 LEU 1 HT3 LEU 1 -10.150 9.479 -1.347 4 HA LEU 1 HA LEU 1 -9.738 7.333 -0.356 5 HB2 LEU 1 HB2 LEU 1 -10.541 9.417 1.673 6 HB3 LEU 1 HB1 LEU 1 -9.460 8.069 1.964 7 HG LEU 1 HG LEU 1 -8.936 10.395 0.113 8 HD11 LEU 1 HD11 LEU 1 -7.744 9.625 2.766 9 HD12 LEU 1 HD12 LEU 1 -8.810 10.994 2.454 10 HD13 LEU 1 HD13 LEU 1 -7.198 10.952 1.743 11 HD21 LEU 1 HD21 LEU 1 -7.919 8.363 -0.755 12 HD22 LEU 1 HD22 LEU 1 -7.200 8.030 0.820 13 HD23 LEU 1 HD23 LEU 1 -6.684 9.440 -0.104 14 H ARG 2 HN ARG 2 -10.700 5.478 0.165 15 HA ARG 2 HA ARG 2 -13.125 5.479 1.770 16 HB2 ARG 2 HB2 ARG 2 -13.699 5.676 -0.746 17 HB3 ARG 2 HB1 ARG 2 -13.146 4.011 -0.852 18 HG2 ARG 2 HG2 ARG 2 -14.917 3.194 0.348 19 HG3 ARG 2 HG1 ARG 2 -15.199 4.722 1.181 20 HD2 ARG 2 HD2 ARG 2 -16.954 4.191 -0.472 21 HD3 ARG 2 HD1 ARG 2 -16.116 5.699 -0.818 22 HE ARG 2 HE ARG 2 -15.015 3.437 -2.206 23 HH11 ARG 2 HH11 ARG 2 -17.486 5.915 -2.272 24 HH12 ARG 2 HH12 ARG 2 -17.656 5.882 -3.997 25 HH21 ARG 2 HH21 ARG 2 -15.241 3.387 -4.490 26 HH22 ARG 2 HH22 ARG 2 -16.390 4.440 -5.255 27 H LEU 3 HN LEU 3 -13.810 3.055 2.076 28 HA LEU 3 HA LEU 3 -11.824 1.874 3.547 29 HB2 LEU 3 HB2 LEU 3 -14.475 1.414 3.108 30 HB3 LEU 3 HB1 LEU 3 -13.694 -0.011 2.467 31 HG LEU 3 HG LEU 3 -13.365 1.003 5.282 32 HD11 LEU 3 HD11 LEU 3 -15.604 0.157 4.901 33 HD12 LEU 3 HD12 LEU 3 -14.686 -0.969 5.902 34 HD13 LEU 3 HD13 LEU 3 -14.948 -1.318 4.192 35 HD21 LEU 3 HD21 LEU 3 -12.254 -1.139 5.683 36 HD22 LEU 3 HD22 LEU 3 -11.394 -0.186 4.473 37 HD23 LEU 3 HD23 LEU 3 -12.405 -1.539 3.972 38 H ILE 4 HN ILE 4 -13.009 0.662 0.441 39 HA ILE 4 HA ILE 4 -11.182 -1.421 0.180 40 HB ILE 4 HB ILE 4 -12.564 0.167 -1.973 41 HG12 ILE 4 HG12 ILE 4 -14.097 -0.953 -0.455 42 HG13 ILE 4 HG11 ILE 4 -14.095 -1.764 -2.011 43 HG21 ILE 4 HG21 ILE 4 -11.165 -2.490 -2.194 44 HG22 ILE 4 HG22 ILE 4 -10.615 -0.965 -2.890 45 HG23 ILE 4 HG23 ILE 4 -12.110 -1.707 -3.460 46 HD11 ILE 4 HD11 ILE 4 -12.689 -2.688 0.476 47 HD12 ILE 4 HD12 ILE 4 -12.611 -3.485 -1.094 48 HD13 ILE 4 HD13 ILE 4 -14.146 -3.382 -0.233 49 H HIS 5 HN HIS 5 -10.886 1.964 -0.652 50 HA HIS 5 HA HIS 5 -8.381 1.616 -2.014 51 HB2 HIS 5 HB2 HIS 5 -9.962 4.027 -1.159 52 HB3 HIS 5 HB1 HIS 5 -8.330 4.183 -1.799 53 HD1 HIS 5 HD1 HIS 5 -8.325 4.688 -4.196 54 HD2 HIS 5 HD2 HIS 5 -11.601 2.368 -3.135 55 HE1 HIS 5 HE1 HIS 5 -9.624 4.354 -6.309 56 HE2 HIS 5 HE2 HIS 5 -11.705 3.126 -5.605 57 H ALA 6 HN ALA 6 -9.432 2.084 1.230 58 HA ALA 6 HA ALA 6 -6.981 3.188 2.223 59 HB1 ALA 6 HB1 ALA 6 -9.208 1.823 3.728 60 HB2 ALA 6 HB2 ALA 6 -9.126 3.545 3.358 61 HB3 ALA 6 HB3 ALA 6 -7.929 2.815 4.428 62 H VAL 7 HN VAL 7 -8.416 -0.036 2.067 63 HA VAL 7 HA VAL 7 -6.202 -1.280 3.377 64 HB VAL 7 HB VAL 7 -8.260 -2.429 3.580 65 HG11 VAL 7 HG11 VAL 7 -8.410 -2.466 0.573 66 HG12 VAL 7 HG12 VAL 7 -9.421 -1.513 1.662 67 HG13 VAL 7 HG13 VAL 7 -9.536 -3.273 1.664 68 HG21 VAL 7 HG21 VAL 7 -6.306 -3.878 3.316 69 HG22 VAL 7 HG22 VAL 7 -6.587 -3.943 1.576 70 HG23 VAL 7 HG23 VAL 7 -7.765 -4.642 2.688 71 H ARG 8 HN ARG 8 -7.168 -0.841 -0.020 72 HA ARG 8 HA ARG 8 -5.041 -2.302 -1.124 73 HB2 ARG 8 HB2 ARG 8 -7.047 -0.419 -2.101 74 HB3 ARG 8 HB1 ARG 8 -5.523 -0.323 -2.974 75 HG2 ARG 8 HG2 ARG 8 -6.903 -1.878 -4.117 76 HG3 ARG 8 HG1 ARG 8 -5.638 -2.787 -3.292 77 HD2 ARG 8 HD2 ARG 8 -7.310 -3.128 -1.413 78 HD3 ARG 8 HD1 ARG 8 -8.532 -2.523 -2.531 79 HE ARG 8 HE ARG 8 -6.911 -4.950 -2.969 80 HH11 ARG 8 HH11 ARG 8 -9.846 -3.113 -3.475 81 HH12 ARG 8 HH12 ARG 8 -10.661 -4.404 -4.292 82 HH21 ARG 8 HH21 ARG 8 -7.980 -6.644 -4.044 83 HH22 ARG 8 HH22 ARG 8 -9.600 -6.407 -4.622 84 H GLY 9 HN GLY 9 -5.349 1.203 -0.592 85 HA2 GLY 9 HA2 GLY 9 -2.767 1.914 -1.381 86 HA3 GLY 9 HA1 GLY 9 -3.754 2.819 -0.243 87 H TYR 10 HN TYR 10 -3.942 0.554 1.584 88 HA TYR 10 HA TYR 10 -1.793 1.024 3.282 89 HB2 TYR 10 HB2 TYR 10 -3.694 0.170 4.307 90 HB3 TYR 10 HB1 TYR 10 -3.908 -1.086 3.098 91 HD1 TYR 10 HD1 TYR 10 -3.652 -3.206 3.879 92 HD2 TYR 10 HD2 TYR 10 -1.254 -0.131 5.580 93 HE1 TYR 10 HE1 TYR 10 -2.623 -4.852 5.389 94 HE2 TYR 10 HE2 TYR 10 -0.221 -1.767 7.096 95 HH TYR 10 HH TYR 10 -0.789 -3.977 8.086 96 H TRP 11 HN TRP 11 -2.366 -1.969 1.351 97 HA TRP 11 HA TRP 11 0.246 -2.897 2.047 98 HB2 TRP 11 HB2 TRP 11 -0.201 -4.824 0.631 99 HB3 TRP 11 HB1 TRP 11 -1.562 -4.487 1.681 100 HD1 TRP 11 HD1 TRP 11 -3.858 -3.807 0.554 101 HE1 TRP 11 HE1 TRP 11 -4.724 -4.033 -1.855 102 HE3 TRP 11 HE3 TRP 11 0.578 -4.664 -1.834 103 HZ2 TRP 11 HZ2 TRP 11 -3.677 -4.505 -4.425 104 HZ3 TRP 11 HZ3 TRP 11 0.555 -4.996 -4.270 105 HH2 TRP 11 HH2 TRP 11 -1.528 -4.920 -5.538 106 H LEU 12 HN LEU 12 -1.068 -1.098 -0.602 107 HA LEU 12 HA LEU 12 1.019 -1.498 -2.450 108 HB2 LEU 12 HB2 LEU 12 -0.946 0.746 -2.071 109 HB3 LEU 12 HB1 LEU 12 0.194 0.694 -3.401 110 HG LEU 12 HG LEU 12 -1.800 -1.504 -2.875 111 HD11 LEU 12 HD11 LEU 12 -3.161 -0.519 -4.645 112 HD12 LEU 12 HD12 LEU 12 -2.042 0.837 -4.771 113 HD13 LEU 12 HD13 LEU 12 -2.986 0.607 -3.300 114 HD21 LEU 12 HD21 LEU 12 -1.321 -2.082 -5.201 115 HD22 LEU 12 HD22 LEU 12 0.146 -2.109 -4.225 116 HD23 LEU 12 HD23 LEU 12 -0.172 -0.749 -5.303 117 H THR 13 HN THR 13 0.682 0.687 0.280 118 HA THR 13 HA THR 13 3.128 2.097 -0.428 119 HB THR 13 HB THR 13 2.726 3.294 1.770 120 HG1 THR 13 HG1 THR 13 0.150 2.091 1.624 121 HG21 THR 13 HG21 THR 13 0.877 4.636 0.888 122 HG22 THR 13 HG22 THR 13 0.520 3.370 -0.287 123 HG23 THR 13 HG23 THR 13 2.048 4.249 -0.373 124 H ASN 14 HN ASN 14 2.321 -0.727 1.123 125 HA ASN 14 HA ASN 14 4.472 -0.625 3.086 126 HB2 ASN 14 HB2 ASN 14 2.208 -2.464 2.514 127 HB3 ASN 14 HB1 ASN 14 3.569 -3.069 3.445 128 HD21 ASN 14 HD21 ASN 14 2.441 0.248 3.569 129 HD22 ASN 14 HD22 ASN 14 1.841 0.181 5.190 130 H LYS 15 HN LYS 15 3.778 -1.972 -0.039 131 HA LYS 15 HA LYS 15 5.934 -3.839 -0.132 132 HB2 LYS 15 HB2 LYS 15 4.546 -2.394 -2.398 133 HB3 LYS 15 HB1 LYS 15 5.593 -3.791 -2.563 134 HG2 LYS 15 HG2 LYS 15 2.932 -3.701 -1.172 135 HG3 LYS 15 HG1 LYS 15 3.279 -4.447 -2.734 136 HD2 LYS 15 HD2 LYS 15 4.882 -5.967 -1.571 137 HD3 LYS 15 HD1 LYS 15 4.335 -5.291 -0.036 138 HE2 LYS 15 HE2 LYS 15 3.144 -7.325 -0.398 139 HE3 LYS 15 HE1 LYS 15 2.016 -5.993 -0.647 140 HZ1 LYS 15 HZ1 LYS 15 1.735 -7.623 -2.367 141 HZ2 LYS 15 HZ2 LYS 15 3.377 -7.577 -2.758 142 HZ3 LYS 15 HZ3 LYS 15 2.402 -6.229 -3.056 143 H VAL 16 HN VAL 16 5.839 -0.576 0.046 144 HA VAL 16 HA VAL 16 8.142 -0.008 -1.631 145 HB VAL 16 HB VAL 16 6.834 2.013 0.130 146 HG11 VAL 16 HG11 VAL 16 7.937 2.126 -2.667 147 HG12 VAL 16 HG12 VAL 16 8.751 2.672 -1.201 148 HG13 VAL 16 HG13 VAL 16 7.292 3.492 -1.757 149 HG21 VAL 16 HG21 VAL 16 4.955 0.779 -0.805 150 HG22 VAL 16 HG22 VAL 16 5.630 0.974 -2.428 151 HG23 VAL 16 HG23 VAL 16 5.076 2.389 -1.533 152 HA PRO 17 HA PRO 17 10.813 -0.541 1.948 153 HB2 PRO 17 HB2 PRO 17 12.787 0.830 0.269 154 HB3 PRO 17 HB1 PRO 17 12.860 -0.775 0.997 155 HG2 PRO 17 HG2 PRO 17 12.534 -0.430 -1.652 156 HG3 PRO 17 HG1 PRO 17 11.789 -1.779 -0.776 157 HD2 PRO 17 HD2 PRO 17 10.557 0.759 -1.759 158 HD3 PRO 17 HD1 PRO 17 9.882 -0.883 -1.710 159 H ILE 18 HN ILE 18 11.014 0.792 3.630 160 HA ILE 18 HA ILE 18 10.532 3.614 3.226 161 HB ILE 18 HB ILE 18 11.005 2.155 5.833 162 HG12 ILE 18 HG12 ILE 18 8.407 2.869 4.451 163 HG13 ILE 18 HG11 ILE 18 9.064 1.245 4.617 164 HG21 ILE 18 HG21 ILE 18 11.353 4.573 5.964 165 HG22 ILE 18 HG22 ILE 18 9.898 4.097 6.840 166 HG23 ILE 18 HG23 ILE 18 9.763 4.847 5.250 167 HD11 ILE 18 HD11 ILE 18 8.169 3.032 6.864 168 HD12 ILE 18 HD12 ILE 18 8.841 1.412 7.043 169 HD13 ILE 18 HD13 ILE 18 7.299 1.640 6.221 170 H LYS 19 HN LYS 19 12.474 3.987 2.071 171 HA LYS 19 HA LYS 19 15.010 3.727 3.405 172 HB2 LYS 19 HB2 LYS 19 15.892 4.918 1.397 173 HB3 LYS 19 HB1 LYS 19 14.980 3.466 1.019 174 HG2 LYS 19 HG2 LYS 19 13.030 4.855 0.464 175 HG3 LYS 19 HG1 LYS 19 13.989 6.299 0.796 176 HD2 LYS 19 HD2 LYS 19 15.536 5.704 -0.983 177 HD3 LYS 19 HD1 LYS 19 14.640 4.214 -1.285 178 HE2 LYS 19 HE2 LYS 19 14.001 5.834 -2.932 179 HE3 LYS 19 HE1 LYS 19 12.648 5.593 -1.831 180 HZ1 LYS 19 HZ1 LYS 19 12.937 7.919 -2.285 181 HZ2 LYS 19 HZ2 LYS 19 14.553 7.871 -1.797 182 HZ3 LYS 19 HZ3 LYS 19 13.320 7.625 -0.663 183 H ARG 20 HN ARG 20 12.523 6.076 3.205 184 HA ARG 20 HA ARG 20 14.043 8.371 3.861 185 HB2 ARG 20 HB2 ARG 20 11.914 9.387 4.497 186 HB3 ARG 20 HB1 ARG 20 11.759 8.523 2.975 187 HG2 ARG 20 HG2 ARG 20 10.746 6.629 4.195 188 HG3 ARG 20 HG1 ARG 20 10.835 7.586 5.676 189 HD2 ARG 20 HD2 ARG 20 9.357 8.426 3.189 190 HD3 ARG 20 HD1 ARG 20 8.604 7.636 4.572 191 HE ARG 20 HE ARG 20 9.632 9.680 5.818 192 HH11 ARG 20 HH11 ARG 20 8.138 9.671 2.648 193 HH12 ARG 20 HH12 ARG 20 7.602 11.315 2.757 194 HH21 ARG 20 HH21 ARG 20 8.949 11.834 5.968 195 HH22 ARG 20 HH22 ARG 20 8.060 12.553 4.657 196 HA PRO 21 HA PRO 21 15.070 7.235 8.034 197 HB2 PRO 21 HB2 PRO 21 15.687 10.040 8.532 198 HB3 PRO 21 HB1 PRO 21 16.776 8.653 8.503 199 HG2 PRO 21 HG2 PRO 21 16.778 10.567 6.583 200 HG3 PRO 21 HG1 PRO 21 17.222 8.881 6.270 201 HD2 PRO 21 HD2 PRO 21 14.679 10.319 5.645 202 HD3 PRO 21 HD1 PRO 21 15.546 9.081 4.716 203 H SER 22 HN SER 22 12.677 9.326 7.141 204 HA SER 22 HA SER 22 11.159 8.915 9.501 205 HB2 SER 22 HB2 SER 22 12.734 10.761 10.224 206 HB3 SER 22 HB1 SER 22 11.990 11.783 8.997 207 HG SER 22 HG SER 22 10.107 11.772 10.099 Start of MODEL 8 1 H1 LEU 1 HT1 LEU 1 -12.714 9.435 0.403 2 H2 LEU 1 HT2 LEU 1 -13.658 8.524 -0.661 3 H3 LEU 1 HT3 LEU 1 -12.182 7.916 -0.110 4 HA LEU 1 HA LEU 1 -13.006 7.784 2.127 5 HB2 LEU 1 HB2 LEU 1 -15.559 8.805 0.887 6 HB3 LEU 1 HB1 LEU 1 -15.445 8.136 2.504 7 HG LEU 1 HG LEU 1 -14.053 10.635 1.534 8 HD11 LEU 1 HD11 LEU 1 -16.387 10.260 3.403 9 HD12 LEU 1 HD12 LEU 1 -16.465 10.909 1.765 10 HD13 LEU 1 HD13 LEU 1 -15.601 11.792 3.023 11 HD21 LEU 1 HD21 LEU 1 -12.735 9.493 3.226 12 HD22 LEU 1 HD22 LEU 1 -14.152 9.362 4.269 13 HD23 LEU 1 HD23 LEU 1 -13.470 10.946 3.900 14 H ARG 2 HN ARG 2 -12.269 5.787 1.065 15 HA ARG 2 HA ARG 2 -14.482 3.901 0.799 16 HB2 ARG 2 HB2 ARG 2 -13.924 4.672 -1.504 17 HB3 ARG 2 HB1 ARG 2 -12.274 4.123 -1.243 18 HG2 ARG 2 HG2 ARG 2 -12.846 2.132 -1.999 19 HG3 ARG 2 HG1 ARG 2 -13.933 1.947 -0.624 20 HD2 ARG 2 HD2 ARG 2 -14.675 3.318 -3.195 21 HD3 ARG 2 HD1 ARG 2 -15.006 1.622 -2.858 22 HE ARG 2 HE ARG 2 -16.125 2.922 -0.758 23 HH11 ARG 2 HH11 ARG 2 -16.417 3.268 -4.232 24 HH12 ARG 2 HH12 ARG 2 -18.066 3.803 -4.164 25 HH21 ARG 2 HH21 ARG 2 -18.281 3.628 -0.666 26 HH22 ARG 2 HH22 ARG 2 -19.128 4.007 -2.134 27 H LEU 3 HN LEU 3 -14.008 2.286 2.159 28 HA LEU 3 HA LEU 3 -11.463 1.995 3.305 29 HB2 LEU 3 HB2 LEU 3 -12.365 -0.267 4.067 30 HB3 LEU 3 HB1 LEU 3 -13.135 1.186 4.677 31 HG LEU 3 HG LEU 3 -14.828 0.775 2.728 32 HD11 LEU 3 HD11 LEU 3 -13.694 -1.989 3.099 33 HD12 LEU 3 HD12 LEU 3 -13.556 -1.007 1.642 34 HD13 LEU 3 HD13 LEU 3 -15.138 -1.571 2.179 35 HD21 LEU 3 HD21 LEU 3 -14.694 -0.915 5.207 36 HD22 LEU 3 HD22 LEU 3 -16.134 -0.708 4.210 37 HD23 LEU 3 HD23 LEU 3 -15.433 0.678 5.047 38 H ILE 4 HN ILE 4 -12.925 0.495 0.533 39 HA ILE 4 HA ILE 4 -11.078 -1.574 0.218 40 HB ILE 4 HB ILE 4 -12.608 -0.023 -1.878 41 HG12 ILE 4 HG12 ILE 4 -13.985 -1.333 -0.327 42 HG13 ILE 4 HG11 ILE 4 -14.033 -2.012 -1.946 43 HG21 ILE 4 HG21 ILE 4 -11.012 -2.556 -2.239 44 HG22 ILE 4 HG22 ILE 4 -10.624 -0.973 -2.911 45 HG23 ILE 4 HG23 ILE 4 -12.071 -1.827 -3.445 46 HD11 ILE 4 HD11 ILE 4 -13.894 -3.772 -0.309 47 HD12 ILE 4 HD12 ILE 4 -12.435 -3.057 0.375 48 HD13 ILE 4 HD13 ILE 4 -12.408 -3.719 -1.259 49 H HIS 5 HN HIS 5 -11.025 1.782 -0.921 50 HA HIS 5 HA HIS 5 -8.474 1.583 -2.163 51 HB2 HIS 5 HB2 HIS 5 -10.210 3.883 -1.329 52 HB3 HIS 5 HB1 HIS 5 -8.557 4.168 -1.851 53 HD1 HIS 5 HD1 HIS 5 -8.464 4.813 -4.212 54 HD2 HIS 5 HD2 HIS 5 -11.568 2.153 -3.481 55 HE1 HIS 5 HE1 HIS 5 -9.604 4.477 -6.421 56 HE2 HIS 5 HE2 HIS 5 -11.570 2.988 -5.925 57 H ALA 6 HN ALA 6 -9.582 2.275 1.077 58 HA ALA 6 HA ALA 6 -7.182 3.354 2.095 59 HB1 ALA 6 HB1 ALA 6 -8.097 2.861 4.294 60 HB2 ALA 6 HB2 ALA 6 -9.317 1.815 3.569 61 HB3 ALA 6 HB3 ALA 6 -9.339 3.549 3.247 62 H VAL 7 HN VAL 7 -8.469 0.019 2.166 63 HA VAL 7 HA VAL 7 -6.138 -1.030 3.407 64 HB VAL 7 HB VAL 7 -8.204 -2.240 3.658 65 HG11 VAL 7 HG11 VAL 7 -9.306 -1.677 1.591 66 HG12 VAL 7 HG12 VAL 7 -9.249 -3.433 1.775 67 HG13 VAL 7 HG13 VAL 7 -8.132 -2.625 0.674 68 HG21 VAL 7 HG21 VAL 7 -6.237 -3.812 2.001 69 HG22 VAL 7 HG22 VAL 7 -7.483 -4.503 3.039 70 HG23 VAL 7 HG23 VAL 7 -6.171 -3.561 3.745 71 H ARG 8 HN ARG 8 -7.158 -0.690 0.034 72 HA ARG 8 HA ARG 8 -5.058 -2.106 -1.150 73 HB2 ARG 8 HB2 ARG 8 -6.972 -0.048 -2.004 74 HB3 ARG 8 HB1 ARG 8 -5.470 -0.076 -2.917 75 HG2 ARG 8 HG2 ARG 8 -7.147 -1.435 -4.002 76 HG3 ARG 8 HG1 ARG 8 -5.824 -2.438 -3.415 77 HD2 ARG 8 HD2 ARG 8 -7.120 -3.198 -1.566 78 HD3 ARG 8 HD1 ARG 8 -8.394 -2.031 -1.907 79 HE ARG 8 HE ARG 8 -8.201 -3.545 -4.177 80 HH11 ARG 8 HH11 ARG 8 -8.755 -4.259 -0.801 81 HH12 ARG 8 HH12 ARG 8 -9.794 -5.607 -1.123 82 HH21 ARG 8 HH21 ARG 8 -9.588 -5.306 -4.609 83 HH22 ARG 8 HH22 ARG 8 -10.278 -6.194 -3.288 84 H GLY 9 HN GLY 9 -5.303 1.397 -0.574 85 HA2 GLY 9 HA2 GLY 9 -2.703 2.086 -1.282 86 HA3 GLY 9 HA1 GLY 9 -3.691 2.973 -0.134 87 H TYR 10 HN TYR 10 -3.912 0.655 1.644 88 HA TYR 10 HA TYR 10 -1.718 1.057 3.319 89 HB2 TYR 10 HB2 TYR 10 -3.670 0.227 4.331 90 HB3 TYR 10 HB1 TYR 10 -3.831 -1.078 3.163 91 HD1 TYR 10 HD1 TYR 10 -1.343 0.103 5.704 92 HD2 TYR 10 HD2 TYR 10 -3.358 -3.195 3.915 93 HE1 TYR 10 HE1 TYR 10 -0.204 -1.426 7.254 94 HE2 TYR 10 HE2 TYR 10 -2.217 -4.732 5.462 95 HH TYR 10 HH TYR 10 -0.519 -3.653 8.208 96 H TRP 11 HN TRP 11 -2.419 -1.874 1.337 97 HA TRP 11 HA TRP 11 0.172 -2.892 1.999 98 HB2 TRP 11 HB2 TRP 11 -0.354 -4.797 0.575 99 HB3 TRP 11 HB1 TRP 11 -1.658 -4.441 1.686 100 HD1 TRP 11 HD1 TRP 11 -3.982 -3.700 0.669 101 HE1 TRP 11 HE1 TRP 11 -4.970 -3.911 -1.693 102 HE3 TRP 11 HE3 TRP 11 0.313 -4.664 -1.922 103 HZ2 TRP 11 HZ2 TRP 11 -4.055 -4.420 -4.309 104 HZ3 TRP 11 HZ3 TRP 11 0.169 -5.010 -4.354 105 HH2 TRP 11 HH2 TRP 11 -1.972 -4.889 -5.522 106 H LEU 12 HN LEU 12 -1.101 -1.004 -0.589 107 HA LEU 12 HA LEU 12 0.924 -1.485 -2.496 108 HB2 LEU 12 HB2 LEU 12 -0.817 0.933 -2.038 109 HB3 LEU 12 HB1 LEU 12 0.206 0.705 -3.440 110 HG LEU 12 HG LEU 12 -2.017 -1.189 -2.695 111 HD11 LEU 12 HD11 LEU 12 -2.044 1.098 -4.671 112 HD12 LEU 12 HD12 LEU 12 -2.888 1.071 -3.124 113 HD13 LEU 12 HD13 LEU 12 -3.346 -0.061 -4.397 114 HD21 LEU 12 HD21 LEU 12 -0.457 -0.766 -5.249 115 HD22 LEU 12 HD22 LEU 12 -1.785 -1.905 -5.029 116 HD23 LEU 12 HD23 LEU 12 -0.280 -2.124 -4.137 117 H THR 13 HN THR 13 0.738 0.640 0.281 118 HA THR 13 HA THR 13 3.248 1.911 -0.464 119 HB THR 13 HB THR 13 2.892 3.258 1.614 120 HG1 THR 13 HG1 THR 13 0.266 2.198 1.698 121 HG21 THR 13 HG21 THR 13 0.981 4.531 0.716 122 HG22 THR 13 HG22 THR 13 0.600 3.184 -0.360 123 HG23 THR 13 HG23 THR 13 2.114 4.070 -0.555 124 H ASN 14 HN ASN 14 2.284 -0.842 1.107 125 HA ASN 14 HA ASN 14 4.483 -0.829 3.047 126 HB2 ASN 14 HB2 ASN 14 1.972 -2.416 2.755 127 HB3 ASN 14 HB1 ASN 14 3.302 -3.051 3.724 128 HD21 ASN 14 HD21 ASN 14 2.399 0.340 3.426 129 HD22 ASN 14 HD22 ASN 14 1.933 0.545 5.076 130 H LYS 15 HN LYS 15 3.013 -3.104 0.725 131 HA LYS 15 HA LYS 15 5.107 -5.004 0.940 132 HB2 LYS 15 HB2 LYS 15 3.164 -4.673 -1.353 133 HB3 LYS 15 HB1 LYS 15 4.051 -6.127 -0.930 134 HG2 LYS 15 HG2 LYS 15 1.912 -4.829 0.738 135 HG3 LYS 15 HG1 LYS 15 1.703 -6.254 -0.280 136 HD2 LYS 15 HD2 LYS 15 3.430 -7.413 1.077 137 HD3 LYS 15 HD1 LYS 15 3.485 -6.007 2.142 138 HE2 LYS 15 HE2 LYS 15 2.062 -7.709 3.104 139 HE3 LYS 15 HE1 LYS 15 1.096 -6.313 2.634 140 HZ1 LYS 15 HZ1 LYS 15 1.353 -8.843 1.102 141 HZ2 LYS 15 HZ2 LYS 15 0.454 -7.499 0.615 142 HZ3 LYS 15 HZ3 LYS 15 0.005 -8.356 2.000 143 H VAL 16 HN VAL 16 4.728 -2.124 -0.805 144 HA VAL 16 HA VAL 16 6.692 -2.852 -2.844 145 HB VAL 16 HB VAL 16 5.124 -0.295 -2.735 146 HG11 VAL 16 HG11 VAL 16 6.915 -0.385 -4.358 147 HG12 VAL 16 HG12 VAL 16 5.354 -0.416 -5.181 148 HG13 VAL 16 HG13 VAL 16 6.287 -1.901 -5.004 149 HG21 VAL 16 HG21 VAL 16 3.507 -2.091 -2.447 150 HG22 VAL 16 HG22 VAL 16 4.169 -2.929 -3.858 151 HG23 VAL 16 HG23 VAL 16 3.361 -1.374 -4.059 152 HA PRO 17 HA PRO 17 9.699 -0.515 -0.449 153 HB2 PRO 17 HB2 PRO 17 11.373 -0.777 -2.834 154 HB3 PRO 17 HB1 PRO 17 11.657 -1.376 -1.200 155 HG2 PRO 17 HG2 PRO 17 11.075 -3.028 -3.252 156 HG3 PRO 17 HG1 PRO 17 10.568 -3.361 -1.587 157 HD2 PRO 17 HD2 PRO 17 8.973 -2.292 -3.878 158 HD3 PRO 17 HD1 PRO 17 8.499 -3.437 -2.605 159 H ILE 18 HN ILE 18 9.754 1.625 -0.310 160 HA ILE 18 HA ILE 18 9.033 3.185 -2.671 161 HB ILE 18 HB ILE 18 8.981 4.013 0.237 162 HG12 ILE 18 HG12 ILE 18 6.704 3.227 -1.602 163 HG13 ILE 18 HG11 ILE 18 7.349 2.225 -0.305 164 HG21 ILE 18 HG21 ILE 18 7.867 5.372 -2.215 165 HG22 ILE 18 HG22 ILE 18 9.274 5.895 -1.289 166 HG23 ILE 18 HG23 ILE 18 7.672 5.923 -0.552 167 HD11 ILE 18 HD11 ILE 18 6.026 4.904 0.043 168 HD12 ILE 18 HD12 ILE 18 6.644 3.873 1.334 169 HD13 ILE 18 HD13 ILE 18 5.284 3.334 0.348 170 H LYS 19 HN LYS 19 11.070 3.225 -3.604 171 HA LYS 19 HA LYS 19 13.184 4.693 -2.232 172 HB2 LYS 19 HB2 LYS 19 13.067 3.485 -5.004 173 HB3 LYS 19 HB1 LYS 19 14.469 4.306 -4.330 174 HG2 LYS 19 HG2 LYS 19 14.615 2.613 -2.575 175 HG3 LYS 19 HG1 LYS 19 13.210 1.790 -3.255 176 HD2 LYS 19 HD2 LYS 19 14.414 1.389 -5.324 177 HD3 LYS 19 HD1 LYS 19 15.809 2.276 -4.709 178 HE2 LYS 19 HE2 LYS 19 16.136 -0.136 -4.531 179 HE3 LYS 19 HE1 LYS 19 16.095 0.627 -2.942 180 HZ1 LYS 19 HZ1 LYS 19 14.814 -1.447 -3.059 181 HZ2 LYS 19 HZ2 LYS 19 13.792 -0.748 -4.208 182 HZ3 LYS 19 HZ3 LYS 19 13.855 -0.121 -2.638 183 H ARG 20 HN ARG 20 10.591 5.165 -4.386 184 HA ARG 20 HA ARG 20 11.428 7.423 -5.818 185 HB2 ARG 20 HB2 ARG 20 9.015 7.823 -6.169 186 HB3 ARG 20 HB1 ARG 20 9.463 6.148 -6.461 187 HG2 ARG 20 HG2 ARG 20 8.608 5.535 -4.252 188 HG3 ARG 20 HG1 ARG 20 8.148 7.215 -3.970 189 HD2 ARG 20 HD2 ARG 20 6.226 5.909 -4.679 190 HD3 ARG 20 HD1 ARG 20 6.638 7.117 -5.892 191 HE ARG 20 HE ARG 20 7.351 4.263 -6.122 192 HH11 ARG 20 HH11 ARG 20 6.309 7.291 -7.552 193 HH12 ARG 20 HH12 ARG 20 6.192 6.631 -9.150 194 HH21 ARG 20 HH21 ARG 20 7.190 3.408 -8.224 195 HH22 ARG 20 HH22 ARG 20 6.680 4.431 -9.530 196 HA PRO 21 HA PRO 21 11.313 10.711 -2.789 197 HB2 PRO 21 HB2 PRO 21 10.341 12.425 -4.985 198 HB3 PRO 21 HB1 PRO 21 11.799 12.581 -4.001 199 HG2 PRO 21 HG2 PRO 21 11.916 11.817 -6.568 200 HG3 PRO 21 HG1 PRO 21 13.020 11.158 -5.347 201 HD2 PRO 21 HD2 PRO 21 10.588 9.920 -6.568 202 HD3 PRO 21 HD1 PRO 21 12.148 9.180 -6.154 203 H SER 22 HN SER 22 9.453 9.732 -1.748 204 HA SER 22 HA SER 22 7.000 11.271 -2.248 205 HB2 SER 22 HB2 SER 22 7.147 8.326 -1.548 206 HB3 SER 22 HB1 SER 22 5.666 9.271 -1.698 207 HG SER 22 HG SER 22 6.182 9.609 -3.893 Start of MODEL 9 1 H1 LEU 1 HT1 LEU 1 -9.135 6.567 0.609 2 H2 LEU 1 HT2 LEU 1 -8.475 5.930 2.025 3 H3 LEU 1 HT3 LEU 1 -8.079 7.497 1.546 4 HA LEU 1 HA LEU 1 -9.638 7.566 3.348 5 HB2 LEU 1 HB2 LEU 1 -10.922 8.318 0.716 6 HB3 LEU 1 HB1 LEU 1 -11.428 8.896 2.288 7 HG LEU 1 HG LEU 1 -8.974 9.798 2.440 8 HD11 LEU 1 HD11 LEU 1 -8.161 8.734 0.402 9 HD12 LEU 1 HD12 LEU 1 -8.068 10.490 0.288 10 HD13 LEU 1 HD13 LEU 1 -9.357 9.620 -0.544 11 HD21 LEU 1 HD21 LEU 1 -10.967 11.179 2.453 12 HD22 LEU 1 HD22 LEU 1 -11.072 11.069 0.697 13 HD23 LEU 1 HD23 LEU 1 -9.712 11.904 1.448 14 H ARG 2 HN ARG 2 -11.475 6.369 0.524 15 HA ARG 2 HA ARG 2 -13.491 5.115 2.062 16 HB2 ARG 2 HB2 ARG 2 -13.398 5.752 -0.484 17 HB3 ARG 2 HB1 ARG 2 -12.717 4.142 -0.659 18 HG2 ARG 2 HG2 ARG 2 -15.028 3.954 -1.084 19 HG3 ARG 2 HG1 ARG 2 -14.739 3.259 0.511 20 HD2 ARG 2 HD2 ARG 2 -15.502 5.332 1.555 21 HD3 ARG 2 HD1 ARG 2 -15.785 6.033 -0.039 22 HE ARG 2 HE ARG 2 -17.290 3.829 -0.153 23 HH11 ARG 2 HH11 ARG 2 -17.012 6.274 2.339 24 HH12 ARG 2 HH12 ARG 2 -18.653 6.088 2.873 25 HH21 ARG 2 HH21 ARG 2 -19.446 3.592 0.550 26 HH22 ARG 2 HH22 ARG 2 -20.034 4.573 1.857 27 H LEU 3 HN LEU 3 -13.838 2.764 2.299 28 HA LEU 3 HA LEU 3 -11.712 1.672 3.662 29 HB2 LEU 3 HB2 LEU 3 -14.347 1.060 3.379 30 HB3 LEU 3 HB1 LEU 3 -13.531 -0.298 2.645 31 HG LEU 3 HG LEU 3 -13.060 0.665 5.458 32 HD11 LEU 3 HD11 LEU 3 -15.270 -0.328 5.176 33 HD12 LEU 3 HD12 LEU 3 -14.216 -1.361 6.141 34 HD13 LEU 3 HD13 LEU 3 -14.537 -1.760 4.454 35 HD21 LEU 3 HD21 LEU 3 -11.083 -0.370 4.464 36 HD22 LEU 3 HD22 LEU 3 -12.041 -1.782 4.020 37 HD23 LEU 3 HD23 LEU 3 -11.779 -1.393 5.720 38 H ILE 4 HN ILE 4 -13.008 0.380 0.627 39 HA ILE 4 HA ILE 4 -11.035 -1.553 0.270 40 HB ILE 4 HB ILE 4 -12.665 -0.128 -1.828 41 HG12 ILE 4 HG12 ILE 4 -14.012 -1.345 -0.195 42 HG13 ILE 4 HG11 ILE 4 -14.040 -2.171 -1.743 43 HG21 ILE 4 HG21 ILE 4 -10.682 -1.131 -2.839 44 HG22 ILE 4 HG22 ILE 4 -12.142 -2.001 -3.307 45 HG23 ILE 4 HG23 ILE 4 -11.068 -2.676 -2.081 46 HD11 ILE 4 HD11 ILE 4 -13.855 -3.778 0.024 47 HD12 ILE 4 HD12 ILE 4 -12.437 -2.954 0.673 48 HD13 ILE 4 HD13 ILE 4 -12.351 -3.751 -0.897 49 H HIS 5 HN HIS 5 -11.112 1.823 -0.688 50 HA HIS 5 HA HIS 5 -8.674 1.695 -2.186 51 HB2 HIS 5 HB2 HIS 5 -10.263 4.030 -1.120 52 HB3 HIS 5 HB1 HIS 5 -8.808 4.210 -2.090 53 HD1 HIS 5 HD1 HIS 5 -9.246 4.507 -4.486 54 HD2 HIS 5 HD2 HIS 5 -12.295 2.390 -2.622 55 HE1 HIS 5 HE1 HIS 5 -10.988 4.134 -6.253 56 HE2 HIS 5 HE2 HIS 5 -12.879 2.959 -5.078 57 H ALA 6 HN ALA 6 -9.511 2.053 1.138 58 HA ALA 6 HA ALA 6 -7.056 3.346 1.915 59 HB1 ALA 6 HB1 ALA 6 -7.825 3.012 4.199 60 HB2 ALA 6 HB2 ALA 6 -9.118 1.960 3.625 61 HB3 ALA 6 HB3 ALA 6 -9.121 3.671 3.199 62 H VAL 7 HN VAL 7 -8.408 0.080 2.133 63 HA VAL 7 HA VAL 7 -6.087 -1.029 3.326 64 HB VAL 7 HB VAL 7 -8.187 -2.166 3.617 65 HG11 VAL 7 HG11 VAL 7 -8.187 -2.594 0.636 66 HG12 VAL 7 HG12 VAL 7 -9.290 -1.562 1.551 67 HG13 VAL 7 HG13 VAL 7 -9.326 -3.313 1.776 68 HG21 VAL 7 HG21 VAL 7 -7.549 -4.453 3.012 69 HG22 VAL 7 HG22 VAL 7 -6.185 -3.546 3.667 70 HG23 VAL 7 HG23 VAL 7 -6.310 -3.817 1.927 71 H ARG 8 HN ARG 8 -7.164 -0.660 -0.030 72 HA ARG 8 HA ARG 8 -5.099 -2.096 -1.249 73 HB2 ARG 8 HB2 ARG 8 -6.998 -0.007 -2.076 74 HB3 ARG 8 HB1 ARG 8 -5.507 -0.056 -3.006 75 HG2 ARG 8 HG2 ARG 8 -7.232 -1.398 -4.059 76 HG3 ARG 8 HG1 ARG 8 -5.890 -2.402 -3.516 77 HD2 ARG 8 HD2 ARG 8 -7.148 -3.086 -1.565 78 HD3 ARG 8 HD1 ARG 8 -8.478 -2.024 -2.023 79 HE ARG 8 HE ARG 8 -7.993 -3.758 -4.154 80 HH11 ARG 8 HH11 ARG 8 -9.115 -3.922 -0.846 81 HH12 ARG 8 HH12 ARG 8 -10.151 -5.284 -1.124 82 HH21 ARG 8 HH21 ARG 8 -9.354 -5.551 -4.533 83 HH22 ARG 8 HH22 ARG 8 -10.279 -6.214 -3.224 84 H GLY 9 HN GLY 9 -5.290 1.400 -0.600 85 HA2 GLY 9 HA2 GLY 9 -2.679 2.053 -1.320 86 HA3 GLY 9 HA1 GLY 9 -3.647 2.939 -0.151 87 H TYR 10 HN TYR 10 -3.928 0.663 1.631 88 HA TYR 10 HA TYR 10 -1.770 0.990 3.331 89 HB2 TYR 10 HB2 TYR 10 -3.707 0.112 4.301 90 HB3 TYR 10 HB1 TYR 10 -3.871 -1.138 3.077 91 HD1 TYR 10 HD1 TYR 10 -1.439 -0.104 5.738 92 HD2 TYR 10 HD2 TYR 10 -3.381 -3.290 3.692 93 HE1 TYR 10 HE1 TYR 10 -0.350 -1.721 7.237 94 HE2 TYR 10 HE2 TYR 10 -2.294 -4.914 5.183 95 HH TYR 10 HH TYR 10 -0.272 -5.044 6.605 96 H TRP 11 HN TRP 11 -2.375 -2.005 1.405 97 HA TRP 11 HA TRP 11 0.234 -2.932 2.067 98 HB2 TRP 11 HB2 TRP 11 -0.205 -4.817 0.565 99 HB3 TRP 11 HB1 TRP 11 -1.529 -4.537 1.678 100 HD1 TRP 11 HD1 TRP 11 -3.837 -3.625 0.645 101 HE1 TRP 11 HE1 TRP 11 -4.810 -3.844 -1.721 102 HE3 TRP 11 HE3 TRP 11 0.435 -4.847 -1.868 103 HZ2 TRP 11 HZ2 TRP 11 -3.885 -4.457 -4.322 104 HZ3 TRP 11 HZ3 TRP 11 0.307 -5.247 -4.294 105 HH2 TRP 11 HH2 TRP 11 -1.810 -5.054 -5.493 106 H LEU 12 HN LEU 12 -1.089 -1.187 -0.643 107 HA LEU 12 HA LEU 12 1.025 -1.529 -2.447 108 HB2 LEU 12 HB2 LEU 12 -0.916 0.738 -2.066 109 HB3 LEU 12 HB1 LEU 12 0.216 0.651 -3.402 110 HG LEU 12 HG LEU 12 -1.865 -1.460 -2.833 111 HD11 LEU 12 HD11 LEU 12 -1.929 0.821 -4.818 112 HD12 LEU 12 HD12 LEU 12 -2.944 0.666 -3.385 113 HD13 LEU 12 HD13 LEU 12 -3.108 -0.484 -4.709 114 HD21 LEU 12 HD21 LEU 12 -1.367 -2.152 -5.136 115 HD22 LEU 12 HD22 LEU 12 0.054 -2.260 -4.097 116 HD23 LEU 12 HD23 LEU 12 -0.109 -0.918 -5.230 117 H THR 13 HN THR 13 0.717 0.567 0.341 118 HA THR 13 HA THR 13 3.152 2.011 -0.352 119 HB THR 13 HB THR 13 2.769 3.169 1.858 120 HG1 THR 13 HG1 THR 13 0.220 1.886 1.745 121 HG21 THR 13 HG21 THR 13 0.881 4.498 1.047 122 HG22 THR 13 HG22 THR 13 0.514 3.248 -0.141 123 HG23 THR 13 HG23 THR 13 2.027 4.150 -0.249 124 H ASN 14 HN ASN 14 2.387 -0.865 1.105 125 HA ASN 14 HA ASN 14 4.566 -0.768 3.062 126 HB2 ASN 14 HB2 ASN 14 2.089 -2.346 2.744 127 HB3 ASN 14 HB1 ASN 14 3.443 -3.143 3.540 128 HD21 ASN 14 HD21 ASN 14 1.178 -0.495 3.696 129 HD22 ASN 14 HD22 ASN 14 1.426 -0.124 5.369 130 H LYS 15 HN LYS 15 3.688 -2.197 0.035 131 HA LYS 15 HA LYS 15 5.677 -4.256 0.033 132 HB2 LYS 15 HB2 LYS 15 4.337 -2.854 -2.286 133 HB3 LYS 15 HB1 LYS 15 5.267 -4.338 -2.385 134 HG2 LYS 15 HG2 LYS 15 2.692 -3.958 -0.888 135 HG3 LYS 15 HG1 LYS 15 2.890 -4.801 -2.427 136 HD2 LYS 15 HD2 LYS 15 4.345 -6.444 -1.343 137 HD3 LYS 15 HD1 LYS 15 4.157 -5.601 0.194 138 HE2 LYS 15 HE2 LYS 15 1.754 -6.052 0.141 139 HE3 LYS 15 HE1 LYS 15 1.949 -6.903 -1.390 140 HZ1 LYS 15 HZ1 LYS 15 1.851 -8.427 0.494 141 HZ2 LYS 15 HZ2 LYS 15 3.208 -7.692 1.183 142 HZ3 LYS 15 HZ3 LYS 15 3.348 -8.518 -0.286 143 H VAL 16 HN VAL 16 5.834 -1.004 0.013 144 HA VAL 16 HA VAL 16 8.058 -0.646 -1.798 145 HB VAL 16 HB VAL 16 7.034 1.453 0.076 146 HG11 VAL 16 HG11 VAL 16 8.942 2.004 -1.306 147 HG12 VAL 16 HG12 VAL 16 7.533 2.933 -1.821 148 HG13 VAL 16 HG13 VAL 16 8.057 1.535 -2.758 149 HG21 VAL 16 HG21 VAL 16 5.647 0.592 -2.462 150 HG22 VAL 16 HG22 VAL 16 5.245 2.013 -1.497 151 HG23 VAL 16 HG23 VAL 16 5.025 0.393 -0.817 152 HA PRO 17 HA PRO 17 10.852 -1.483 1.645 153 HB2 PRO 17 HB2 PRO 17 13.130 -0.980 0.212 154 HB3 PRO 17 HB1 PRO 17 12.293 -2.536 0.218 155 HG2 PRO 17 HG2 PRO 17 12.227 -0.351 -1.808 156 HG3 PRO 17 HG1 PRO 17 12.202 -2.106 -2.047 157 HD2 PRO 17 HD2 PRO 17 9.984 -0.554 -2.236 158 HD3 PRO 17 HD1 PRO 17 9.931 -2.245 -1.700 159 H ILE 18 HN ILE 18 12.025 -0.181 3.031 160 HA ILE 18 HA ILE 18 11.561 2.645 2.661 161 HB ILE 18 HB ILE 18 12.923 1.301 5.000 162 HG12 ILE 18 HG12 ILE 18 9.997 2.000 4.633 163 HG13 ILE 18 HG11 ILE 18 10.661 0.371 4.586 164 HG21 ILE 18 HG21 ILE 18 11.538 3.973 4.741 165 HG22 ILE 18 HG22 ILE 18 13.280 3.721 4.840 166 HG23 ILE 18 HG23 ILE 18 12.251 3.323 6.216 167 HD11 ILE 18 HD11 ILE 18 10.663 2.222 6.952 168 HD12 ILE 18 HD12 ILE 18 11.363 0.604 6.915 169 HD13 ILE 18 HD13 ILE 18 9.623 0.817 6.718 170 H LYS 19 HN LYS 19 12.983 2.770 0.817 171 HA LYS 19 HA LYS 19 15.835 2.689 1.326 172 HB2 LYS 19 HB2 LYS 19 15.051 1.866 -0.805 173 HB3 LYS 19 HB1 LYS 19 14.180 3.358 -1.114 174 HG2 LYS 19 HG2 LYS 19 16.283 4.564 -1.263 175 HG3 LYS 19 HG1 LYS 19 17.171 3.072 -0.945 176 HD2 LYS 19 HD2 LYS 19 15.332 3.548 -3.295 177 HD3 LYS 19 HD1 LYS 19 17.093 3.621 -3.349 178 HE2 LYS 19 HE2 LYS 19 17.222 1.275 -2.700 179 HE3 LYS 19 HE1 LYS 19 15.467 1.194 -2.594 180 HZ1 LYS 19 HZ1 LYS 19 15.344 1.675 -4.960 181 HZ2 LYS 19 HZ2 LYS 19 16.252 0.281 -4.671 182 HZ3 LYS 19 HZ3 LYS 19 17.031 1.732 -5.057 183 H ARG 20 HN ARG 20 13.245 4.988 0.821 184 HA ARG 20 HA ARG 20 15.069 7.236 1.283 185 HB2 ARG 20 HB2 ARG 20 12.124 7.347 0.623 186 HB3 ARG 20 HB1 ARG 20 13.285 8.661 0.536 187 HG2 ARG 20 HG2 ARG 20 14.360 7.675 -1.355 188 HG3 ARG 20 HG1 ARG 20 13.388 6.210 -1.203 189 HD2 ARG 20 HD2 ARG 20 12.390 8.976 -1.873 190 HD3 ARG 20 HD1 ARG 20 12.493 7.599 -2.970 191 HE ARG 20 HE ARG 20 10.922 6.732 -0.897 192 HH11 ARG 20 HH11 ARG 20 10.769 9.381 -3.182 193 HH12 ARG 20 HH12 ARG 20 9.038 9.441 -3.184 194 HH21 ARG 20 HH21 ARG 20 8.641 6.826 -0.886 195 HH22 ARG 20 HH22 ARG 20 7.829 8.009 -1.860 196 HA PRO 21 HA PRO 21 13.422 7.598 5.452 197 HB2 PRO 21 HB2 PRO 21 14.092 10.428 5.445 198 HB3 PRO 21 HB1 PRO 21 14.842 9.116 6.356 199 HG2 PRO 21 HG2 PRO 21 16.096 10.428 4.331 200 HG3 PRO 21 HG1 PRO 21 16.437 8.741 4.755 201 HD2 PRO 21 HD2 PRO 21 14.749 9.838 2.541 202 HD3 PRO 21 HD1 PRO 21 15.873 8.463 2.528 203 H SER 22 HN SER 22 11.265 7.354 4.453 204 HA SER 22 HA SER 22 9.809 9.884 4.150 205 HB2 SER 22 HB2 SER 22 8.917 7.088 3.395 206 HB3 SER 22 HB1 SER 22 8.117 8.603 2.970 207 HG SER 22 HG SER 22 10.345 9.064 1.991 Start of MODEL 10 1 H1 LEU 1 HT1 LEU 1 -12.741 7.547 4.961 2 H2 LEU 1 HT2 LEU 1 -11.634 8.629 4.281 3 H3 LEU 1 HT3 LEU 1 -11.219 7.006 4.474 4 HA LEU 1 HA LEU 1 -13.355 8.018 2.706 5 HB2 LEU 1 HB2 LEU 1 -10.594 6.972 2.095 6 HB3 LEU 1 HB1 LEU 1 -11.837 7.228 0.888 7 HG LEU 1 HG LEU 1 -10.627 9.393 2.610 8 HD11 LEU 1 HD11 LEU 1 -10.182 8.699 -0.286 9 HD12 LEU 1 HD12 LEU 1 -9.018 8.505 1.023 10 HD13 LEU 1 HD13 LEU 1 -9.542 10.118 0.540 11 HD21 LEU 1 HD21 LEU 1 -12.917 9.896 1.965 12 HD22 LEU 1 HD22 LEU 1 -12.541 9.529 0.284 13 HD23 LEU 1 HD23 LEU 1 -11.787 10.914 1.072 14 H ARG 2 HN ARG 2 -13.234 6.012 0.861 15 HA ARG 2 HA ARG 2 -14.600 3.884 2.116 16 HB2 ARG 2 HB2 ARG 2 -14.791 4.611 -0.303 17 HB3 ARG 2 HB1 ARG 2 -13.274 3.759 -0.573 18 HG2 ARG 2 HG2 ARG 2 -14.220 1.678 -0.032 19 HG3 ARG 2 HG1 ARG 2 -15.673 2.428 0.628 20 HD2 ARG 2 HD2 ARG 2 -16.200 3.290 -1.621 21 HD3 ARG 2 HD1 ARG 2 -14.811 2.408 -2.256 22 HE ARG 2 HE ARG 2 -16.484 0.649 -0.831 23 HH11 ARG 2 HH11 ARG 2 -16.381 2.446 -3.823 24 HH12 ARG 2 HH12 ARG 2 -17.414 1.340 -4.672 25 HH21 ARG 2 HH21 ARG 2 -17.837 -0.821 -1.942 26 HH22 ARG 2 HH22 ARG 2 -18.240 -0.524 -3.601 27 H LEU 3 HN LEU 3 -13.918 1.984 2.888 28 HA LEU 3 HA LEU 3 -11.232 1.705 3.598 29 HB2 LEU 3 HB2 LEU 3 -11.954 -0.669 4.215 30 HB3 LEU 3 HB1 LEU 3 -12.664 0.680 5.085 31 HG LEU 3 HG LEU 3 -14.586 0.424 3.321 32 HD11 LEU 3 HD11 LEU 3 -14.927 -1.869 2.596 33 HD12 LEU 3 HD12 LEU 3 -13.377 -2.336 3.293 34 HD13 LEU 3 HD13 LEU 3 -13.430 -1.221 1.928 35 HD21 LEU 3 HD21 LEU 3 -14.862 0.109 5.688 36 HD22 LEU 3 HD22 LEU 3 -14.117 -1.486 5.591 37 HD23 LEU 3 HD23 LEU 3 -15.678 -1.192 4.820 38 H ILE 4 HN ILE 4 -12.972 0.499 0.855 39 HA ILE 4 HA ILE 4 -11.165 -1.493 0.116 40 HB ILE 4 HB ILE 4 -12.876 0.248 -1.670 41 HG12 ILE 4 HG12 ILE 4 -14.156 -1.101 -0.075 42 HG13 ILE 4 HG11 ILE 4 -14.373 -1.699 -1.714 43 HG21 ILE 4 HG21 ILE 4 -12.573 -1.518 -3.366 44 HG22 ILE 4 HG22 ILE 4 -11.390 -2.296 -2.317 45 HG23 ILE 4 HG23 ILE 4 -11.067 -0.691 -2.972 46 HD11 ILE 4 HD11 ILE 4 -12.584 -2.899 0.386 47 HD12 ILE 4 HD12 ILE 4 -12.765 -3.489 -1.266 48 HD13 ILE 4 HD13 ILE 4 -14.137 -3.535 -0.158 49 H HIS 5 HN HIS 5 -11.204 1.978 -0.604 50 HA HIS 5 HA HIS 5 -8.782 1.906 -2.123 51 HB2 HIS 5 HB2 HIS 5 -10.421 4.117 -0.917 52 HB3 HIS 5 HB1 HIS 5 -8.830 4.450 -1.585 53 HD1 HIS 5 HD1 HIS 5 -8.804 5.009 -3.983 54 HD2 HIS 5 HD2 HIS 5 -12.189 2.845 -2.932 55 HE1 HIS 5 HE1 HIS 5 -10.210 4.908 -6.050 56 HE2 HIS 5 HE2 HIS 5 -12.344 3.790 -5.330 57 H ALA 6 HN ALA 6 -9.625 2.260 1.233 58 HA ALA 6 HA ALA 6 -7.171 3.298 2.165 59 HB1 ALA 6 HB1 ALA 6 -9.304 3.330 3.434 60 HB2 ALA 6 HB2 ALA 6 -7.941 2.706 4.363 61 HB3 ALA 6 HB3 ALA 6 -9.134 1.594 3.691 62 H VAL 7 HN VAL 7 -8.425 -0.039 2.003 63 HA VAL 7 HA VAL 7 -6.080 -1.170 3.121 64 HB VAL 7 HB VAL 7 -8.143 -2.399 3.269 65 HG11 VAL 7 HG11 VAL 7 -9.233 -1.676 1.240 66 HG12 VAL 7 HG12 VAL 7 -9.187 -3.440 1.308 67 HG13 VAL 7 HG13 VAL 7 -8.062 -2.568 0.265 68 HG21 VAL 7 HG21 VAL 7 -6.114 -3.710 3.274 69 HG22 VAL 7 HG22 VAL 7 -6.141 -3.807 1.515 70 HG23 VAL 7 HG23 VAL 7 -7.400 -4.600 2.461 71 H ARG 8 HN ARG 8 -7.133 -0.622 -0.221 72 HA ARG 8 HA ARG 8 -5.094 -1.994 -1.528 73 HB2 ARG 8 HB2 ARG 8 -6.946 0.184 -2.217 74 HB3 ARG 8 HB1 ARG 8 -5.466 0.154 -3.160 75 HG2 ARG 8 HG2 ARG 8 -7.217 -1.068 -4.290 76 HG3 ARG 8 HG1 ARG 8 -5.925 -2.158 -3.797 77 HD2 ARG 8 HD2 ARG 8 -7.216 -2.977 -1.967 78 HD3 ARG 8 HD1 ARG 8 -8.451 -1.746 -2.219 79 HE ARG 8 HE ARG 8 -8.439 -3.058 -4.571 80 HH11 ARG 8 HH11 ARG 8 -8.621 -4.194 -1.265 81 HH12 ARG 8 HH12 ARG 8 -9.635 -5.545 -1.652 82 HH21 ARG 8 HH21 ARG 8 -9.780 -4.832 -5.075 83 HH22 ARG 8 HH22 ARG 8 -10.285 -5.910 -3.817 84 H GLY 9 HN GLY 9 -5.202 1.499 -0.848 85 HA2 GLY 9 HA2 GLY 9 -2.562 2.056 -1.547 86 HA3 GLY 9 HA1 GLY 9 -3.524 3.004 -0.423 87 H TYR 10 HN TYR 10 -3.913 0.840 1.436 88 HA TYR 10 HA TYR 10 -1.782 1.157 3.165 89 HB2 TYR 10 HB2 TYR 10 -3.802 0.401 4.096 90 HB3 TYR 10 HB1 TYR 10 -3.936 -0.928 2.953 91 HD1 TYR 10 HD1 TYR 10 -3.420 -3.052 3.672 92 HD2 TYR 10 HD2 TYR 10 -1.696 0.269 5.697 93 HE1 TYR 10 HE1 TYR 10 -2.400 -4.583 5.301 94 HE2 TYR 10 HE2 TYR 10 -0.673 -1.255 7.336 95 HH TYR 10 HH TYR 10 -1.033 -3.523 8.221 96 H TRP 11 HN TRP 11 -2.469 -1.897 1.367 97 HA TRP 11 HA TRP 11 0.061 -2.922 2.170 98 HB2 TRP 11 HB2 TRP 11 -0.419 -4.873 0.825 99 HB3 TRP 11 HB1 TRP 11 -1.842 -4.409 1.735 100 HD1 TRP 11 HD1 TRP 11 -3.957 -3.534 0.356 101 HE1 TRP 11 HE1 TRP 11 -4.639 -3.870 -2.100 102 HE3 TRP 11 HE3 TRP 11 0.540 -5.036 -1.530 103 HZ2 TRP 11 HZ2 TRP 11 -3.429 -4.672 -4.523 104 HZ3 TRP 11 HZ3 TRP 11 0.697 -5.576 -3.925 105 HH2 TRP 11 HH2 TRP 11 -1.249 -5.396 -5.392 106 H LEU 12 HN LEU 12 -1.080 -1.304 -0.700 107 HA LEU 12 HA LEU 12 1.049 -1.810 -2.416 108 HB2 LEU 12 HB2 LEU 12 -0.758 0.583 -2.142 109 HB3 LEU 12 HB1 LEU 12 0.403 0.410 -3.441 110 HG LEU 12 HG LEU 12 -1.799 -1.582 -2.906 111 HD11 LEU 12 HD11 LEU 12 -2.788 0.569 -3.476 112 HD12 LEU 12 HD12 LEU 12 -2.945 -0.554 -4.827 113 HD13 LEU 12 HD13 LEU 12 -1.718 0.714 -4.872 114 HD21 LEU 12 HD21 LEU 12 0.024 -1.136 -5.271 115 HD22 LEU 12 HD22 LEU 12 -1.297 -2.301 -5.203 116 HD23 LEU 12 HD23 LEU 12 0.095 -2.484 -4.136 117 H THR 13 HN THR 13 0.788 0.554 0.194 118 HA THR 13 HA THR 13 3.352 1.728 -0.541 119 HB THR 13 HB THR 13 2.940 3.203 1.457 120 HG1 THR 13 HG1 THR 13 0.276 2.233 1.419 121 HG21 THR 13 HG21 THR 13 2.343 3.918 -0.799 122 HG22 THR 13 HG22 THR 13 1.162 4.499 0.374 123 HG23 THR 13 HG23 THR 13 0.780 3.115 -0.650 124 H ASN 14 HN ASN 14 2.240 -0.797 1.403 125 HA ASN 14 HA ASN 14 4.326 -0.471 3.418 126 HB2 ASN 14 HB2 ASN 14 1.799 -1.978 3.216 127 HB3 ASN 14 HB1 ASN 14 3.057 -2.673 4.236 128 HD21 ASN 14 HD21 ASN 14 0.942 0.062 3.749 129 HD22 ASN 14 HD22 ASN 14 1.094 0.714 5.348 130 H LYS 15 HN LYS 15 3.604 -2.421 0.642 131 HA LYS 15 HA LYS 15 5.480 -4.505 1.212 132 HB2 LYS 15 HB2 LYS 15 4.412 -3.536 -1.447 133 HB3 LYS 15 HB1 LYS 15 5.276 -5.040 -1.179 134 HG2 LYS 15 HG2 LYS 15 2.606 -4.303 -0.019 135 HG3 LYS 15 HG1 LYS 15 2.884 -5.414 -1.361 136 HD2 LYS 15 HD2 LYS 15 4.188 -6.868 0.142 137 HD3 LYS 15 HD1 LYS 15 3.841 -5.770 1.478 138 HE2 LYS 15 HE2 LYS 15 1.446 -6.185 1.190 139 HE3 LYS 15 HE1 LYS 15 1.800 -7.287 -0.138 140 HZ1 LYS 15 HZ1 LYS 15 3.013 -8.697 1.414 141 HZ2 LYS 15 HZ2 LYS 15 1.409 -8.494 1.905 142 HZ3 LYS 15 HZ3 LYS 15 2.644 -7.645 2.686 143 H VAL 16 HN VAL 16 5.780 -1.313 0.542 144 HA VAL 16 HA VAL 16 8.225 -1.426 -1.020 145 HB VAL 16 HB VAL 16 7.125 1.091 0.145 146 HG11 VAL 16 HG11 VAL 16 7.831 2.022 -2.003 147 HG12 VAL 16 HG12 VAL 16 8.317 0.413 -2.538 148 HG13 VAL 16 HG13 VAL 16 9.153 1.183 -1.190 149 HG21 VAL 16 HG21 VAL 16 5.876 -0.360 -2.186 150 HG22 VAL 16 HG22 VAL 16 5.475 1.271 -1.654 151 HG23 VAL 16 HG23 VAL 16 5.132 -0.108 -0.601 152 HA PRO 17 HA PRO 17 10.551 -1.103 2.825 153 HB2 PRO 17 HB2 PRO 17 12.993 -1.462 1.778 154 HB3 PRO 17 HB1 PRO 17 11.857 -2.805 1.966 155 HG2 PRO 17 HG2 PRO 17 12.564 -1.248 -0.483 156 HG3 PRO 17 HG1 PRO 17 12.250 -2.982 -0.308 157 HD2 PRO 17 HD2 PRO 17 10.420 -1.137 -1.247 158 HD3 PRO 17 HD1 PRO 17 9.999 -2.711 -0.546 159 H ILE 18 HN ILE 18 12.000 0.381 3.738 160 HA ILE 18 HA ILE 18 12.701 2.466 4.214 161 HB ILE 18 HB ILE 18 13.682 2.244 1.387 162 HG12 ILE 18 HG12 ILE 18 15.022 1.694 4.036 163 HG13 ILE 18 HG11 ILE 18 14.490 0.481 2.877 164 HG21 ILE 18 HG21 ILE 18 13.667 4.584 2.093 165 HG22 ILE 18 HG22 ILE 18 15.319 3.977 1.987 166 HG23 ILE 18 HG23 ILE 18 14.543 4.153 3.561 167 HD11 ILE 18 HD11 ILE 18 16.892 0.832 2.772 168 HD12 ILE 18 HD12 ILE 18 16.635 2.538 2.410 169 HD13 ILE 18 HD13 ILE 18 16.113 1.305 1.263 170 H LYS 19 HN LYS 19 10.777 3.548 4.545 171 HA LYS 19 HA LYS 19 9.530 4.872 2.261 172 HB2 LYS 19 HB2 LYS 19 8.654 4.896 5.152 173 HB3 LYS 19 HB1 LYS 19 7.723 5.449 3.770 174 HG2 LYS 19 HG2 LYS 19 8.538 2.614 4.362 175 HG3 LYS 19 HG1 LYS 19 6.926 3.301 4.526 176 HD2 LYS 19 HD2 LYS 19 8.422 3.149 1.914 177 HD3 LYS 19 HD1 LYS 19 7.303 1.910 2.470 178 HE2 LYS 19 HE2 LYS 19 5.924 3.167 1.139 179 HE3 LYS 19 HE1 LYS 19 5.652 3.927 2.703 180 HZ1 LYS 19 HZ1 LYS 19 7.131 5.698 2.105 181 HZ2 LYS 19 HZ2 LYS 19 5.990 5.516 0.873 182 HZ3 LYS 19 HZ3 LYS 19 7.559 4.930 0.660 183 H ARG 20 HN ARG 20 11.779 5.485 4.720 184 HA ARG 20 HA ARG 20 11.315 8.312 4.892 185 HB2 ARG 20 HB2 ARG 20 13.402 8.383 6.185 186 HB3 ARG 20 HB1 ARG 20 12.291 7.168 6.795 187 HG2 ARG 20 HG2 ARG 20 13.598 5.438 5.603 188 HG3 ARG 20 HG1 ARG 20 14.740 6.689 5.114 189 HD2 ARG 20 HD2 ARG 20 15.482 5.432 7.112 190 HD3 ARG 20 HD1 ARG 20 15.289 7.158 7.412 191 HE ARG 20 HE ARG 20 12.906 5.773 8.066 192 HH11 ARG 20 HH11 ARG 20 16.163 6.298 9.234 193 HH12 ARG 20 HH12 ARG 20 15.736 6.076 10.900 194 HH21 ARG 20 HH21 ARG 20 12.340 5.487 10.256 195 HH22 ARG 20 HH22 ARG 20 13.563 5.614 11.482 196 HA PRO 21 HA PRO 21 13.302 9.407 1.103 197 HB2 PRO 21 HB2 PRO 21 13.907 11.987 2.387 198 HB3 PRO 21 HB1 PRO 21 12.948 11.644 0.947 199 HG2 PRO 21 HG2 PRO 21 11.811 12.398 3.253 200 HG3 PRO 21 HG1 PRO 21 11.030 11.252 2.152 201 HD2 PRO 21 HD2 PRO 21 12.478 10.736 4.711 202 HD3 PRO 21 HD1 PRO 21 11.024 9.962 4.051 203 H SER 22 HN SER 22 15.290 9.077 0.358 204 HA SER 22 HA SER 22 17.561 9.449 2.186 205 HB2 SER 22 HB2 SER 22 17.447 7.845 -0.383 206 HB3 SER 22 HB1 SER 22 18.762 7.859 0.791 207 HG SER 22 HG SER 22 17.480 6.796 2.244 Start of MODEL 11 1 H1 LEU 1 HT1 LEU 1 -11.898 8.653 2.589 2 H2 LEU 1 HT2 LEU 1 -10.350 9.048 2.047 3 H3 LEU 1 HT3 LEU 1 -10.682 7.484 2.592 4 HA LEU 1 HA LEU 1 -11.830 8.775 0.192 5 HB2 LEU 1 HB2 LEU 1 -9.915 6.444 0.431 6 HB3 LEU 1 HB1 LEU 1 -10.620 7.028 -1.058 7 HG LEU 1 HG LEU 1 -8.460 7.871 -1.109 8 HD11 LEU 1 HD11 LEU 1 -8.635 10.285 -0.826 9 HD12 LEU 1 HD12 LEU 1 -10.117 10.069 0.104 10 HD13 LEU 1 HD13 LEU 1 -10.069 9.610 -1.596 11 HD21 LEU 1 HD21 LEU 1 -8.732 8.651 1.788 12 HD22 LEU 1 HD22 LEU 1 -7.327 8.949 0.766 13 HD23 LEU 1 HD23 LEU 1 -7.802 7.295 1.152 14 H ARG 2 HN ARG 2 -11.258 5.463 1.353 15 HA ARG 2 HA ARG 2 -13.908 4.777 1.924 16 HB2 ARG 2 HB2 ARG 2 -13.936 5.185 -0.659 17 HB3 ARG 2 HB1 ARG 2 -13.100 3.645 -0.737 18 HG2 ARG 2 HG2 ARG 2 -15.438 3.286 -1.089 19 HG3 ARG 2 HG1 ARG 2 -14.984 2.604 0.474 20 HD2 ARG 2 HD2 ARG 2 -15.857 4.602 1.590 21 HD3 ARG 2 HD1 ARG 2 -16.311 5.276 0.025 22 HE ARG 2 HE ARG 2 -17.508 2.770 0.245 23 HH11 ARG 2 HH11 ARG 2 -17.722 5.940 1.723 24 HH12 ARG 2 HH12 ARG 2 -19.365 5.723 2.232 25 HH21 ARG 2 HH21 ARG 2 -19.664 2.499 0.883 26 HH22 ARG 2 HH22 ARG 2 -20.471 3.764 1.755 27 H LEU 3 HN LEU 3 -14.111 2.351 2.148 28 HA LEU 3 HA LEU 3 -12.028 1.284 3.569 29 HB2 LEU 3 HB2 LEU 3 -14.474 0.567 3.378 30 HB3 LEU 3 HB1 LEU 3 -13.904 -0.373 2.032 31 HG LEU 3 HG LEU 3 -12.758 -0.729 4.778 32 HD11 LEU 3 HD11 LEU 3 -14.295 -2.626 5.029 33 HD12 LEU 3 HD12 LEU 3 -15.092 -2.166 3.525 34 HD13 LEU 3 HD13 LEU 3 -15.159 -1.092 4.921 35 HD21 LEU 3 HD21 LEU 3 -11.456 -1.642 2.922 36 HD22 LEU 3 HD22 LEU 3 -12.873 -2.523 2.352 37 HD23 LEU 3 HD23 LEU 3 -12.147 -2.932 3.907 38 H ILE 4 HN ILE 4 -12.961 0.351 0.297 39 HA ILE 4 HA ILE 4 -10.898 -1.466 -0.135 40 HB ILE 4 HB ILE 4 -12.324 0.193 -2.215 41 HG12 ILE 4 HG12 ILE 4 -13.918 -1.001 -0.836 42 HG13 ILE 4 HG11 ILE 4 -13.804 -1.795 -2.398 43 HG21 ILE 4 HG21 ILE 4 -11.761 -1.606 -3.760 44 HG22 ILE 4 HG22 ILE 4 -10.888 -2.446 -2.480 45 HG23 ILE 4 HG23 ILE 4 -10.303 -0.893 -3.073 46 HD11 ILE 4 HD11 ILE 4 -13.918 -3.417 -0.605 47 HD12 ILE 4 HD12 ILE 4 -12.488 -2.711 0.146 48 HD13 ILE 4 HD13 ILE 4 -12.359 -3.506 -1.423 49 H HIS 5 HN HIS 5 -11.053 1.991 -0.825 50 HA HIS 5 HA HIS 5 -8.460 2.104 -2.014 51 HB2 HIS 5 HB2 HIS 5 -10.311 4.230 -0.944 52 HB3 HIS 5 HB1 HIS 5 -8.722 4.610 -1.591 53 HD1 HIS 5 HD1 HIS 5 -8.727 5.185 -3.993 54 HD2 HIS 5 HD2 HIS 5 -11.917 2.723 -2.983 55 HE1 HIS 5 HE1 HIS 5 -10.094 4.957 -6.080 56 HE2 HIS 5 HE2 HIS 5 -11.894 3.295 -5.504 57 H ALA 6 HN ALA 6 -9.644 2.047 1.218 58 HA ALA 6 HA ALA 6 -7.365 3.334 2.411 59 HB1 ALA 6 HB1 ALA 6 -9.455 1.567 3.676 60 HB2 ALA 6 HB2 ALA 6 -9.554 3.318 3.515 61 HB3 ALA 6 HB3 ALA 6 -8.307 2.597 4.528 62 H VAL 7 HN VAL 7 -8.513 -0.025 2.201 63 HA VAL 7 HA VAL 7 -6.200 -1.067 3.472 64 HB VAL 7 HB VAL 7 -8.254 -2.319 3.588 65 HG11 VAL 7 HG11 VAL 7 -9.276 -1.698 1.497 66 HG12 VAL 7 HG12 VAL 7 -9.186 -3.458 1.617 67 HG13 VAL 7 HG13 VAL 7 -8.041 -2.585 0.599 68 HG21 VAL 7 HG21 VAL 7 -7.453 -4.542 2.886 69 HG22 VAL 7 HG22 VAL 7 -6.219 -3.611 3.735 70 HG23 VAL 7 HG23 VAL 7 -6.154 -3.767 1.978 71 H ARG 8 HN ARG 8 -7.122 -0.689 0.058 72 HA ARG 8 HA ARG 8 -5.013 -2.136 -1.058 73 HB2 ARG 8 HB2 ARG 8 -6.895 -0.088 -2.011 74 HB3 ARG 8 HB1 ARG 8 -5.380 -0.173 -2.903 75 HG2 ARG 8 HG2 ARG 8 -7.049 -1.564 -3.952 76 HG3 ARG 8 HG1 ARG 8 -5.755 -2.558 -3.290 77 HD2 ARG 8 HD2 ARG 8 -7.143 -3.052 -1.335 78 HD3 ARG 8 HD1 ARG 8 -8.440 -2.072 -2.014 79 HE ARG 8 HE ARG 8 -7.723 -4.005 -3.901 80 HH11 ARG 8 HH11 ARG 8 -9.196 -3.836 -0.737 81 HH12 ARG 8 HH12 ARG 8 -10.168 -5.251 -0.969 82 HH21 ARG 8 HH21 ARG 8 -8.997 -5.866 -4.220 83 HH22 ARG 8 HH22 ARG 8 -10.064 -6.398 -2.958 84 H GLY 9 HN GLY 9 -5.212 1.393 -0.644 85 HA2 GLY 9 HA2 GLY 9 -2.606 1.996 -1.387 86 HA3 GLY 9 HA1 GLY 9 -3.579 2.964 -0.290 87 H TYR 10 HN TYR 10 -3.851 0.827 1.654 88 HA TYR 10 HA TYR 10 -1.666 1.309 3.296 89 HB2 TYR 10 HB2 TYR 10 -3.612 0.582 4.375 90 HB3 TYR 10 HB1 TYR 10 -3.813 -0.789 3.292 91 HD1 TYR 10 HD1 TYR 10 -1.237 0.465 5.721 92 HD2 TYR 10 HD2 TYR 10 -3.440 -2.848 4.203 93 HE1 TYR 10 HE1 TYR 10 -0.146 -1.005 7.364 94 HE2 TYR 10 HE2 TYR 10 -2.350 -4.325 5.844 95 HH TYR 10 HH TYR 10 -0.220 -4.361 7.157 96 H TRP 11 HN TRP 11 -2.368 -1.760 1.533 97 HA TRP 11 HA TRP 11 0.227 -2.717 2.287 98 HB2 TRP 11 HB2 TRP 11 -0.305 -4.752 1.062 99 HB3 TRP 11 HB1 TRP 11 -1.610 -4.291 2.135 100 HD1 TRP 11 HD1 TRP 11 -3.917 -3.536 1.013 101 HE1 TRP 11 HE1 TRP 11 -4.911 -4.038 -1.303 102 HE3 TRP 11 HE3 TRP 11 0.338 -5.021 -1.375 103 HZ2 TRP 11 HZ2 TRP 11 -4.001 -4.942 -3.822 104 HZ3 TRP 11 HZ3 TRP 11 0.195 -5.700 -3.735 105 HH2 TRP 11 HH2 TRP 11 -1.931 -5.658 -4.932 106 H LEU 12 HN LEU 12 -1.135 -1.226 -0.545 107 HA LEU 12 HA LEU 12 0.887 -1.864 -2.377 108 HB2 LEU 12 HB2 LEU 12 -0.962 0.502 -2.181 109 HB3 LEU 12 HB1 LEU 12 0.107 0.230 -3.541 110 HG LEU 12 HG LEU 12 -1.981 -1.759 -2.661 111 HD11 LEU 12 HD11 LEU 12 -2.148 0.324 -4.840 112 HD12 LEU 12 HD12 LEU 12 -3.068 0.324 -3.336 113 HD13 LEU 12 HD13 LEU 12 -3.330 -0.945 -4.532 114 HD21 LEU 12 HD21 LEU 12 -1.629 -2.684 -4.898 115 HD22 LEU 12 HD22 LEU 12 -0.136 -2.684 -3.959 116 HD23 LEU 12 HD23 LEU 12 -0.391 -1.467 -5.211 117 H THR 13 HN THR 13 0.782 0.535 0.168 118 HA THR 13 HA THR 13 3.257 1.764 -0.760 119 HB THR 13 HB THR 13 3.027 3.142 1.345 120 HG1 THR 13 HG1 THR 13 0.376 2.141 1.466 121 HG21 THR 13 HG21 THR 13 2.243 3.964 -0.817 122 HG22 THR 13 HG22 THR 13 1.178 4.491 0.483 123 HG23 THR 13 HG23 THR 13 0.696 3.160 -0.566 124 H ASN 14 HN ASN 14 2.396 -0.908 1.014 125 HA ASN 14 HA ASN 14 4.686 -0.736 2.837 126 HB2 ASN 14 HB2 ASN 14 2.087 -2.118 2.870 127 HB3 ASN 14 HB1 ASN 14 3.420 -2.972 3.629 128 HD21 ASN 14 HD21 ASN 14 1.373 -0.179 3.751 129 HD22 ASN 14 HD22 ASN 14 1.823 0.316 5.345 130 H LYS 15 HN LYS 15 3.586 -2.392 0.018 131 HA LYS 15 HA LYS 15 5.364 -4.628 0.179 132 HB2 LYS 15 HB2 LYS 15 4.139 -3.341 -2.266 133 HB3 LYS 15 HB1 LYS 15 4.873 -4.930 -2.192 134 HG2 LYS 15 HG2 LYS 15 2.379 -4.050 -0.767 135 HG3 LYS 15 HG1 LYS 15 2.458 -5.095 -2.186 136 HD2 LYS 15 HD2 LYS 15 3.684 -5.745 0.493 137 HD3 LYS 15 HD1 LYS 15 2.112 -6.326 -0.054 138 HE2 LYS 15 HE2 LYS 15 3.178 -7.475 -1.927 139 HE3 LYS 15 HE1 LYS 15 4.751 -6.861 -1.417 140 HZ1 LYS 15 HZ1 LYS 15 4.452 -9.111 -0.669 141 HZ2 LYS 15 HZ2 LYS 15 3.013 -8.707 0.122 142 HZ3 LYS 15 HZ3 LYS 15 4.482 -8.077 0.668 143 H VAL 16 HN VAL 16 5.913 -1.459 -0.082 144 HA VAL 16 HA VAL 16 8.120 -1.523 -1.972 145 HB VAL 16 HB VAL 16 7.427 0.883 -0.351 146 HG11 VAL 16 HG11 VAL 16 9.254 0.987 -1.948 147 HG12 VAL 16 HG12 VAL 16 7.932 2.044 -2.441 148 HG13 VAL 16 HG13 VAL 16 8.167 0.492 -3.246 149 HG21 VAL 16 HG21 VAL 16 5.721 -0.122 -2.630 150 HG22 VAL 16 HG22 VAL 16 5.574 1.455 -1.856 151 HG23 VAL 16 HG23 VAL 16 5.233 -0.016 -0.934 152 HA PRO 17 HA PRO 17 10.708 -2.332 1.649 153 HB2 PRO 17 HB2 PRO 17 13.026 -2.656 0.282 154 HB3 PRO 17 HB1 PRO 17 11.810 -3.932 0.431 155 HG2 PRO 17 HG2 PRO 17 12.320 -2.060 -1.847 156 HG3 PRO 17 HG1 PRO 17 11.932 -3.790 -1.884 157 HD2 PRO 17 HD2 PRO 17 10.091 -1.859 -2.369 158 HD3 PRO 17 HD1 PRO 17 9.673 -3.415 -1.624 159 H ILE 18 HN ILE 18 12.398 -1.250 2.703 160 HA ILE 18 HA ILE 18 13.222 0.654 3.580 161 HB ILE 18 HB ILE 18 14.214 0.941 0.759 162 HG12 ILE 18 HG12 ILE 18 15.453 -0.405 3.164 163 HG13 ILE 18 HG11 ILE 18 14.761 -1.227 1.770 164 HG21 ILE 18 HG21 ILE 18 14.483 3.013 2.052 165 HG22 ILE 18 HG22 ILE 18 16.043 2.259 1.722 166 HG23 ILE 18 HG23 ILE 18 15.311 2.108 3.319 167 HD11 ILE 18 HD11 ILE 18 17.190 -1.182 1.671 168 HD12 ILE 18 HD12 ILE 18 17.166 0.581 1.730 169 HD13 ILE 18 HD13 ILE 18 16.482 -0.264 0.342 170 H LYS 19 HN LYS 19 11.133 1.558 3.938 171 HA LYS 19 HA LYS 19 9.741 3.062 1.999 172 HB2 LYS 19 HB2 LYS 19 8.313 3.776 3.864 173 HB3 LYS 19 HB1 LYS 19 8.593 2.043 3.879 174 HG2 LYS 19 HG2 LYS 19 10.383 2.446 5.592 175 HG3 LYS 19 HG1 LYS 19 9.820 4.116 5.675 176 HD2 LYS 19 HD2 LYS 19 8.162 1.655 6.235 177 HD3 LYS 19 HD1 LYS 19 8.837 2.741 7.448 178 HE2 LYS 19 HE2 LYS 19 6.808 3.482 5.344 179 HE3 LYS 19 HE1 LYS 19 6.467 3.192 7.047 180 HZ1 LYS 19 HZ1 LYS 19 6.618 5.533 6.633 181 HZ2 LYS 19 HZ2 LYS 19 8.145 5.370 5.933 182 HZ3 LYS 19 HZ3 LYS 19 7.937 5.067 7.581 183 H ARG 20 HN ARG 20 12.242 3.897 4.262 184 HA ARG 20 HA ARG 20 11.784 6.738 4.012 185 HB2 ARG 20 HB2 ARG 20 14.092 5.247 5.266 186 HB3 ARG 20 HB1 ARG 20 13.814 6.976 5.378 187 HG2 ARG 20 HG2 ARG 20 11.777 6.610 6.616 188 HG3 ARG 20 HG1 ARG 20 11.954 4.864 6.443 189 HD2 ARG 20 HD2 ARG 20 14.048 4.958 7.705 190 HD3 ARG 20 HD1 ARG 20 13.864 6.703 7.878 191 HE ARG 20 HE ARG 20 11.551 5.607 8.893 192 HH11 ARG 20 HH11 ARG 20 14.970 5.331 9.585 193 HH12 ARG 20 HH12 ARG 20 14.738 5.052 11.280 194 HH21 ARG 20 HH21 ARG 20 11.232 5.225 11.123 195 HH22 ARG 20 HH22 ARG 20 12.604 4.981 12.156 196 HA PRO 21 HA PRO 21 14.530 7.091 0.459 197 HB2 PRO 21 HB2 PRO 21 14.491 9.955 0.786 198 HB3 PRO 21 HB1 PRO 21 13.691 8.983 -0.450 199 HG2 PRO 21 HG2 PRO 21 12.382 10.382 1.525 200 HG3 PRO 21 HG1 PRO 21 11.710 8.990 0.659 201 HD2 PRO 21 HD2 PRO 21 12.906 9.129 3.392 202 HD3 PRO 21 HD1 PRO 21 11.559 8.145 2.784 203 H SER 22 HN SER 22 15.713 6.492 2.915 204 HA SER 22 HA SER 22 18.271 7.673 2.705 205 HB2 SER 22 HB2 SER 22 17.036 9.543 3.832 206 HB3 SER 22 HB1 SER 22 16.686 8.454 5.171 207 HG SER 22 HG SER 22 19.228 9.361 4.289 Start of MODEL 12 1 H1 LEU 1 HT1 LEU 1 -13.227 8.954 2.662 2 H2 LEU 1 HT2 LEU 1 -13.798 8.850 1.073 3 H3 LEU 1 HT3 LEU 1 -12.496 9.866 1.440 4 HA LEU 1 HA LEU 1 -11.755 7.859 0.346 5 HB2 LEU 1 HB2 LEU 1 -10.420 9.083 2.119 6 HB3 LEU 1 HB1 LEU 1 -10.969 7.880 3.264 7 HG LEU 1 HG LEU 1 -8.625 7.608 2.297 8 HD11 LEU 1 HD11 LEU 1 -10.556 5.310 2.060 9 HD12 LEU 1 HD12 LEU 1 -9.735 5.836 3.529 10 HD13 LEU 1 HD13 LEU 1 -8.803 5.177 2.185 11 HD21 LEU 1 HD21 LEU 1 -10.194 6.646 -0.087 12 HD22 LEU 1 HD22 LEU 1 -8.452 6.504 0.140 13 HD23 LEU 1 HD23 LEU 1 -9.193 8.096 -0.027 14 H ARG 2 HN ARG 2 -12.429 5.894 -0.150 15 HA ARG 2 HA ARG 2 -14.226 4.467 1.623 16 HB2 ARG 2 HB2 ARG 2 -14.466 4.722 -0.930 17 HB3 ARG 2 HB1 ARG 2 -13.204 3.504 -1.032 18 HG2 ARG 2 HG2 ARG 2 -15.364 2.471 -1.282 19 HG3 ARG 2 HG1 ARG 2 -14.621 1.948 0.231 20 HD2 ARG 2 HD2 ARG 2 -15.966 3.602 1.447 21 HD3 ARG 2 HD1 ARG 2 -16.721 4.095 -0.065 22 HE ARG 2 HE ARG 2 -17.319 1.516 -0.050 23 HH11 ARG 2 HH11 ARG 2 -17.443 3.852 2.558 24 HH12 ARG 2 HH12 ARG 2 -18.779 3.083 3.354 25 HH21 ARG 2 HH21 ARG 2 -19.077 0.501 0.997 26 HH22 ARG 2 HH22 ARG 2 -19.703 1.167 2.469 27 H LEU 3 HN LEU 3 -13.877 2.439 2.453 28 HA LEU 3 HA LEU 3 -11.358 1.864 3.412 29 HB2 LEU 3 HB2 LEU 3 -12.393 -0.491 3.791 30 HB3 LEU 3 HB1 LEU 3 -12.971 0.895 4.700 31 HG LEU 3 HG LEU 3 -14.813 1.055 2.904 32 HD11 LEU 3 HD11 LEU 3 -13.761 -0.469 1.294 33 HD12 LEU 3 HD12 LEU 3 -15.374 -0.999 1.767 34 HD13 LEU 3 HD13 LEU 3 -13.952 -1.791 2.444 35 HD21 LEU 3 HD21 LEU 3 -14.696 -1.268 4.806 36 HD22 LEU 3 HD22 LEU 3 -16.163 -0.637 4.058 37 HD23 LEU 3 HD23 LEU 3 -15.241 0.368 5.175 38 H ILE 4 HN ILE 4 -12.832 0.799 0.452 39 HA ILE 4 HA ILE 4 -11.119 -1.309 -0.146 40 HB ILE 4 HB ILE 4 -12.390 0.676 -2.038 41 HG12 ILE 4 HG12 ILE 4 -13.996 -0.633 -0.720 42 HG13 ILE 4 HG11 ILE 4 -14.047 -1.081 -2.417 43 HG21 ILE 4 HG21 ILE 4 -11.087 -1.970 -2.662 44 HG22 ILE 4 HG22 ILE 4 -10.493 -0.374 -3.124 45 HG23 ILE 4 HG23 ILE 4 -12.001 -0.983 -3.804 46 HD11 ILE 4 HD11 ILE 4 -14.210 -3.040 -1.027 47 HD12 ILE 4 HD12 ILE 4 -12.704 -2.621 -0.213 48 HD13 ILE 4 HD13 ILE 4 -12.689 -3.062 -1.920 49 H HIS 5 HN HIS 5 -10.782 2.157 -0.741 50 HA HIS 5 HA HIS 5 -8.213 1.919 -1.976 51 HB2 HIS 5 HB2 HIS 5 -9.691 4.309 -0.853 52 HB3 HIS 5 HB1 HIS 5 -8.135 4.418 -1.664 53 HD1 HIS 5 HD1 HIS 5 -8.485 5.296 -3.941 54 HD2 HIS 5 HD2 HIS 5 -11.530 2.705 -2.799 55 HE1 HIS 5 HE1 HIS 5 -10.018 5.125 -5.928 56 HE2 HIS 5 HE2 HIS 5 -11.820 3.504 -5.239 57 H ALA 6 HN ALA 6 -9.425 2.233 1.245 58 HA ALA 6 HA ALA 6 -7.048 3.147 2.489 59 HB1 ALA 6 HB1 ALA 6 -9.315 1.587 3.714 60 HB2 ALA 6 HB2 ALA 6 -9.282 3.338 3.511 61 HB3 ALA 6 HB3 ALA 6 -8.114 2.552 4.572 62 H VAL 7 HN VAL 7 -8.440 -0.116 2.049 63 HA VAL 7 HA VAL 7 -6.195 -1.328 3.371 64 HB VAL 7 HB VAL 7 -8.312 -2.462 3.541 65 HG11 VAL 7 HG11 VAL 7 -9.365 -3.522 1.577 66 HG12 VAL 7 HG12 VAL 7 -8.212 -2.681 0.542 67 HG13 VAL 7 HG13 VAL 7 -9.373 -1.760 1.501 68 HG21 VAL 7 HG21 VAL 7 -6.402 -4.038 1.815 69 HG22 VAL 7 HG22 VAL 7 -7.673 -4.718 2.834 70 HG23 VAL 7 HG23 VAL 7 -6.318 -3.861 3.570 71 H ARG 8 HN ARG 8 -7.191 -0.864 -0.001 72 HA ARG 8 HA ARG 8 -5.104 -2.361 -1.159 73 HB2 ARG 8 HB2 ARG 8 -6.971 -0.259 -2.118 74 HB3 ARG 8 HB1 ARG 8 -5.516 -0.523 -3.066 75 HG2 ARG 8 HG2 ARG 8 -7.368 -1.816 -3.945 76 HG3 ARG 8 HG1 ARG 8 -6.104 -2.877 -3.326 77 HD2 ARG 8 HD2 ARG 8 -7.374 -3.279 -1.312 78 HD3 ARG 8 HD1 ARG 8 -8.602 -2.120 -1.818 79 HE ARG 8 HE ARG 8 -8.268 -4.173 -3.753 80 HH11 ARG 8 HH11 ARG 8 -9.702 -3.528 -0.630 81 HH12 ARG 8 HH12 ARG 8 -10.940 -4.728 -0.804 82 HH21 ARG 8 HH21 ARG 8 -9.891 -5.775 -3.980 83 HH22 ARG 8 HH22 ARG 8 -11.041 -6.014 -2.701 84 H GLY 9 HN GLY 9 -5.384 1.147 -0.654 85 HA2 GLY 9 HA2 GLY 9 -2.811 1.850 -1.441 86 HA3 GLY 9 HA1 GLY 9 -3.788 2.753 -0.293 87 H TYR 10 HN TYR 10 -3.969 0.575 1.599 88 HA TYR 10 HA TYR 10 -1.794 1.030 3.237 89 HB2 TYR 10 HB2 TYR 10 -3.617 0.127 4.345 90 HB3 TYR 10 HB1 TYR 10 -3.894 -1.097 3.112 91 HD1 TYR 10 HD1 TYR 10 -3.322 -3.277 3.568 92 HD2 TYR 10 HD2 TYR 10 -1.358 -0.161 5.706 93 HE1 TYR 10 HE1 TYR 10 -2.134 -4.956 4.919 94 HE2 TYR 10 HE2 TYR 10 -0.170 -1.833 7.063 95 HH TYR 10 HH TYR 10 -0.070 -5.129 6.243 96 H TRP 11 HN TRP 11 -2.355 -1.981 1.337 97 HA TRP 11 HA TRP 11 0.289 -2.850 2.009 98 HB2 TRP 11 HB2 TRP 11 -0.165 -4.834 0.687 99 HB3 TRP 11 HB1 TRP 11 -1.512 -4.476 1.748 100 HD1 TRP 11 HD1 TRP 11 -3.836 -3.856 0.638 101 HE1 TRP 11 HE1 TRP 11 -4.744 -4.182 -1.747 102 HE3 TRP 11 HE3 TRP 11 0.569 -4.768 -1.784 103 HZ2 TRP 11 HZ2 TRP 11 -3.720 -4.747 -4.319 104 HZ3 TRP 11 HZ3 TRP 11 0.518 -5.196 -4.204 105 HH2 TRP 11 HH2 TRP 11 -1.581 -5.187 -5.442 106 H LEU 12 HN LEU 12 -1.156 -1.200 -0.674 107 HA LEU 12 HA LEU 12 0.845 -1.641 -2.590 108 HB2 LEU 12 HB2 LEU 12 -1.098 0.618 -2.181 109 HB3 LEU 12 HB1 LEU 12 -0.011 0.540 -3.553 110 HG LEU 12 HG LEU 12 -1.982 -1.643 -2.905 111 HD11 LEU 12 HD11 LEU 12 -2.290 0.694 -4.800 112 HD12 LEU 12 HD12 LEU 12 -3.212 0.421 -3.321 113 HD13 LEU 12 HD13 LEU 12 -3.385 -0.683 -4.684 114 HD21 LEU 12 HD21 LEU 12 -0.115 -2.310 -4.313 115 HD22 LEU 12 HD22 LEU 12 -0.416 -0.949 -5.393 116 HD23 LEU 12 HD23 LEU 12 -1.602 -2.247 -5.257 117 H THR 13 HN THR 13 0.656 0.619 0.084 118 HA THR 13 HA THR 13 3.154 1.878 -0.740 119 HB THR 13 HB THR 13 2.818 3.236 1.382 120 HG1 THR 13 HG1 THR 13 0.160 2.224 1.256 121 HG21 THR 13 HG21 THR 13 0.669 3.333 -0.737 122 HG22 THR 13 HG22 THR 13 2.252 4.104 -0.829 123 HG23 THR 13 HG23 THR 13 1.076 4.642 0.371 124 H ASN 14 HN ASN 14 2.046 -0.556 1.469 125 HA ASN 14 HA ASN 14 4.276 -0.202 3.294 126 HB2 ASN 14 HB2 ASN 14 1.732 -1.685 3.304 127 HB3 ASN 14 HB1 ASN 14 3.035 -2.354 4.282 128 HD21 ASN 14 HD21 ASN 14 0.898 0.358 3.822 129 HD22 ASN 14 HD22 ASN 14 1.159 1.077 5.377 130 H LYS 15 HN LYS 15 3.244 -2.586 0.896 131 HA LYS 15 HA LYS 15 5.117 -4.594 1.660 132 HB2 LYS 15 HB2 LYS 15 3.800 -4.124 -1.019 133 HB3 LYS 15 HB1 LYS 15 4.647 -5.581 -0.538 134 HG2 LYS 15 HG2 LYS 15 2.184 -4.511 0.800 135 HG3 LYS 15 HG1 LYS 15 2.190 -5.779 -0.425 136 HD2 LYS 15 HD2 LYS 15 3.808 -6.047 2.088 137 HD3 LYS 15 HD1 LYS 15 2.094 -6.451 2.067 138 HE2 LYS 15 HE2 LYS 15 3.276 -8.467 1.691 139 HE3 LYS 15 HE1 LYS 15 2.583 -7.994 0.148 140 HZ1 LYS 15 HZ1 LYS 15 5.394 -7.466 0.935 141 HZ2 LYS 15 HZ2 LYS 15 4.702 -7.228 -0.589 142 HZ3 LYS 15 HZ3 LYS 15 4.897 -8.790 0.014 143 H VAL 16 HN VAL 16 5.501 -1.632 0.316 144 HA VAL 16 HA VAL 16 7.641 -2.242 -1.527 145 HB VAL 16 HB VAL 16 6.808 0.505 -0.670 146 HG11 VAL 16 HG11 VAL 16 7.354 1.071 -2.979 147 HG12 VAL 16 HG12 VAL 16 7.736 -0.618 -3.306 148 HG13 VAL 16 HG13 VAL 16 8.716 0.302 -2.166 149 HG21 VAL 16 HG21 VAL 16 5.336 -1.241 -2.637 150 HG22 VAL 16 HG22 VAL 16 5.006 0.461 -2.313 151 HG23 VAL 16 HG23 VAL 16 4.742 -0.747 -1.046 152 HA PRO 17 HA PRO 17 10.539 -1.797 1.864 153 HB2 PRO 17 HB2 PRO 17 12.750 -2.495 0.499 154 HB3 PRO 17 HB1 PRO 17 11.542 -3.687 0.991 155 HG2 PRO 17 HG2 PRO 17 11.931 -2.374 -1.674 156 HG3 PRO 17 HG1 PRO 17 11.594 -4.076 -1.306 157 HD2 PRO 17 HD2 PRO 17 9.678 -2.312 -2.106 158 HD3 PRO 17 HD1 PRO 17 9.340 -3.702 -1.056 159 H ILE 18 HN ILE 18 11.758 -0.122 2.563 160 HA ILE 18 HA ILE 18 12.452 1.948 0.602 161 HB ILE 18 HB ILE 18 12.325 2.273 3.603 162 HG12 ILE 18 HG12 ILE 18 10.234 2.971 1.523 163 HG13 ILE 18 HG11 ILE 18 10.105 1.668 2.699 164 HG21 ILE 18 HG21 ILE 18 12.391 4.278 1.347 165 HG22 ILE 18 HG22 ILE 18 13.719 3.904 2.445 166 HG23 ILE 18 HG23 ILE 18 12.255 4.668 3.062 167 HD11 ILE 18 HD11 ILE 18 10.121 3.296 4.511 168 HD12 ILE 18 HD12 ILE 18 8.810 3.610 3.373 169 HD13 ILE 18 HD13 ILE 18 10.267 4.605 3.339 170 H LYS 19 HN LYS 19 14.253 0.468 0.054 171 HA LYS 19 HA LYS 19 16.446 0.463 1.979 172 HB2 LYS 19 HB2 LYS 19 16.191 -0.779 -0.765 173 HB3 LYS 19 HB1 LYS 19 17.632 -0.883 0.236 174 HG2 LYS 19 HG2 LYS 19 14.911 -1.983 0.917 175 HG3 LYS 19 HG1 LYS 19 16.321 -2.912 0.404 176 HD2 LYS 19 HD2 LYS 19 17.532 -2.120 2.405 177 HD3 LYS 19 HD1 LYS 19 16.075 -1.278 2.929 178 HE2 LYS 19 HE2 LYS 19 16.236 -3.374 4.096 179 HE3 LYS 19 HE1 LYS 19 14.885 -3.446 2.966 180 HZ1 LYS 19 HZ1 LYS 19 16.235 -5.470 2.948 181 HZ2 LYS 19 HZ2 LYS 19 17.586 -4.576 2.466 182 HZ3 LYS 19 HZ3 LYS 19 16.247 -4.700 1.442 183 H ARG 20 HN ARG 20 15.414 1.974 -0.966 184 HA ARG 20 HA ARG 20 17.897 3.365 -1.403 185 HB2 ARG 20 HB2 ARG 20 15.135 3.877 -2.523 186 HB3 ARG 20 HB1 ARG 20 16.608 4.654 -3.074 187 HG2 ARG 20 HG2 ARG 20 17.477 2.520 -3.832 188 HG3 ARG 20 HG1 ARG 20 16.035 1.703 -3.229 189 HD2 ARG 20 HD2 ARG 20 14.655 3.013 -4.770 190 HD3 ARG 20 HD1 ARG 20 16.100 3.817 -5.377 191 HE ARG 20 HE ARG 20 16.526 1.101 -5.687 192 HH11 ARG 20 HH11 ARG 20 14.271 3.504 -6.854 193 HH12 ARG 20 HH12 ARG 20 13.980 2.691 -8.357 194 HH21 ARG 20 HH21 ARG 20 16.143 0.019 -7.671 195 HH22 ARG 20 HH22 ARG 20 15.046 0.708 -8.824 196 HA PRO 21 HA PRO 21 17.366 6.349 1.883 197 HB2 PRO 21 HB2 PRO 21 18.954 7.949 -0.081 198 HB3 PRO 21 HB1 PRO 21 19.211 7.723 1.653 199 HG2 PRO 21 HG2 PRO 21 20.705 6.421 -0.121 200 HG3 PRO 21 HG1 PRO 21 20.171 5.636 1.376 201 HD2 PRO 21 HD2 PRO 21 19.209 5.248 -1.412 202 HD3 PRO 21 HD1 PRO 21 19.295 4.090 -0.071 203 H SER 22 HN SER 22 15.267 6.991 1.825 204 HA SER 22 HA SER 22 14.199 8.465 -0.412 205 HB2 SER 22 HB2 SER 22 12.118 8.481 1.078 206 HB3 SER 22 HB1 SER 22 12.700 6.900 0.557 207 HG SER 22 HG SER 22 13.377 8.111 3.033 Start of MODEL 13 1 H1 LEU 1 HT1 LEU 1 -13.544 8.286 4.135 2 H2 LEU 1 HT2 LEU 1 -12.733 6.987 3.426 3 H3 LEU 1 HT3 LEU 1 -14.184 6.726 4.248 4 HA LEU 1 HA LEU 1 -15.396 7.986 2.627 5 HB2 LEU 1 HB2 LEU 1 -13.453 9.487 2.100 6 HB3 LEU 1 HB1 LEU 1 -12.756 8.183 1.167 7 HG LEU 1 HG LEU 1 -13.971 10.042 -0.104 8 HD11 LEU 1 HD11 LEU 1 -14.898 8.491 -1.756 9 HD12 LEU 1 HD12 LEU 1 -14.776 7.179 -0.586 10 HD13 LEU 1 HD13 LEU 1 -13.316 7.968 -1.178 11 HD21 LEU 1 HD21 LEU 1 -15.931 10.185 1.332 12 HD22 LEU 1 HD22 LEU 1 -16.375 8.533 0.906 13 HD23 LEU 1 HD23 LEU 1 -16.385 9.793 -0.325 14 H ARG 2 HN ARG 2 -12.629 5.915 1.723 15 HA ARG 2 HA ARG 2 -14.546 3.937 0.728 16 HB2 ARG 2 HB2 ARG 2 -13.656 5.354 -1.168 17 HB3 ARG 2 HB1 ARG 2 -12.061 4.716 -0.785 18 HG2 ARG 2 HG2 ARG 2 -12.980 3.481 -2.619 19 HG3 ARG 2 HG1 ARG 2 -12.902 2.440 -1.196 20 HD2 ARG 2 HD2 ARG 2 -15.008 2.136 -2.373 21 HD3 ARG 2 HD1 ARG 2 -15.278 2.835 -0.779 22 HE ARG 2 HE ARG 2 -15.066 4.782 -2.891 23 HH11 ARG 2 HH11 ARG 2 -17.235 2.653 -1.149 24 HH12 ARG 2 HH12 ARG 2 -18.650 3.581 -1.532 25 HH21 ARG 2 HH21 ARG 2 -16.928 5.996 -3.396 26 HH22 ARG 2 HH22 ARG 2 -18.476 5.479 -2.811 27 H LEU 3 HN LEU 3 -14.147 2.223 1.972 28 HA LEU 3 HA LEU 3 -11.731 1.706 3.259 29 HB2 LEU 3 HB2 LEU 3 -12.667 -0.698 3.370 30 HB3 LEU 3 HB1 LEU 3 -13.471 0.587 4.251 31 HG LEU 3 HG LEU 3 -15.022 0.716 2.170 32 HD11 LEU 3 HD11 LEU 3 -13.931 -2.071 1.843 33 HD12 LEU 3 HD12 LEU 3 -13.674 -0.731 0.729 34 HD13 LEU 3 HD13 LEU 3 -15.296 -1.373 0.974 35 HD21 LEU 3 HD21 LEU 3 -15.754 -0.007 4.348 36 HD22 LEU 3 HD22 LEU 3 -15.069 -1.607 4.074 37 HD23 LEU 3 HD23 LEU 3 -16.438 -1.056 3.108 38 H ILE 4 HN ILE 4 -12.820 0.829 0.085 39 HA ILE 4 HA ILE 4 -11.027 -1.209 -0.464 40 HB ILE 4 HB ILE 4 -12.048 0.897 -2.377 41 HG12 ILE 4 HG12 ILE 4 -13.852 -0.363 -1.317 42 HG13 ILE 4 HG11 ILE 4 -13.704 -0.806 -3.011 43 HG21 ILE 4 HG21 ILE 4 -10.811 -1.786 -2.974 44 HG22 ILE 4 HG22 ILE 4 -10.073 -0.213 -3.272 45 HG23 ILE 4 HG23 ILE 4 -11.521 -0.690 -4.160 46 HD11 ILE 4 HD11 ILE 4 -14.112 -2.755 -1.643 47 HD12 ILE 4 HD12 ILE 4 -12.685 -2.397 -0.674 48 HD13 ILE 4 HD13 ILE 4 -12.510 -2.838 -2.373 49 H HIS 5 HN HIS 5 -10.635 2.283 -0.998 50 HA HIS 5 HA HIS 5 -7.924 2.009 -1.855 51 HB2 HIS 5 HB2 HIS 5 -9.578 4.403 -1.074 52 HB3 HIS 5 HB1 HIS 5 -7.885 4.538 -1.530 53 HD1 HIS 5 HD1 HIS 5 -7.603 5.146 -3.899 54 HD2 HIS 5 HD2 HIS 5 -11.062 2.931 -3.285 55 HE1 HIS 5 HE1 HIS 5 -8.706 4.980 -6.144 56 HE2 HIS 5 HE2 HIS 5 -10.884 3.791 -5.714 57 H ALA 6 HN ALA 6 -9.475 2.167 1.190 58 HA ALA 6 HA ALA 6 -7.261 3.181 2.677 59 HB1 ALA 6 HB1 ALA 6 -9.566 3.300 3.511 60 HB2 ALA 6 HB2 ALA 6 -8.496 2.470 4.641 61 HB3 ALA 6 HB3 ALA 6 -9.603 1.540 3.631 62 H VAL 7 HN VAL 7 -8.552 -0.099 2.071 63 HA VAL 7 HA VAL 7 -6.348 -1.271 3.511 64 HB VAL 7 HB VAL 7 -8.478 -2.406 3.616 65 HG11 VAL 7 HG11 VAL 7 -8.217 -2.768 0.640 66 HG12 VAL 7 HG12 VAL 7 -9.421 -1.791 1.482 67 HG13 VAL 7 HG13 VAL 7 -9.428 -3.547 1.657 68 HG21 VAL 7 HG21 VAL 7 -6.516 -3.785 3.853 69 HG22 VAL 7 HG22 VAL 7 -6.395 -3.980 2.105 70 HG23 VAL 7 HG23 VAL 7 -7.757 -4.684 2.978 71 H ARG 8 HN ARG 8 -7.247 -0.892 0.091 72 HA ARG 8 HA ARG 8 -5.107 -2.358 -0.988 73 HB2 ARG 8 HB2 ARG 8 -6.904 -0.228 -2.009 74 HB3 ARG 8 HB1 ARG 8 -5.406 -0.486 -2.887 75 HG2 ARG 8 HG2 ARG 8 -7.181 -1.752 -3.905 76 HG3 ARG 8 HG1 ARG 8 -6.009 -2.852 -3.180 77 HD2 ARG 8 HD2 ARG 8 -7.446 -3.274 -1.327 78 HD3 ARG 8 HD1 ARG 8 -8.550 -1.991 -1.815 79 HE ARG 8 HE ARG 8 -8.347 -3.886 -3.891 80 HH11 ARG 8 HH11 ARG 8 -9.610 -3.596 -0.655 81 HH12 ARG 8 HH12 ARG 8 -10.944 -4.665 -0.926 82 HH21 ARG 8 HH21 ARG 8 -10.098 -5.320 -4.268 83 HH22 ARG 8 HH22 ARG 8 -11.227 -5.646 -2.992 84 H GLY 9 HN GLY 9 -5.384 1.153 -0.525 85 HA2 GLY 9 HA2 GLY 9 -2.793 1.848 -1.221 86 HA3 GLY 9 HA1 GLY 9 -3.811 2.765 -0.119 87 H TYR 10 HN TYR 10 -3.994 0.488 1.751 88 HA TYR 10 HA TYR 10 -1.830 1.033 3.425 89 HB2 TYR 10 HB2 TYR 10 -3.657 0.165 4.550 90 HB3 TYR 10 HB1 TYR 10 -3.947 -1.078 3.341 91 HD1 TYR 10 HD1 TYR 10 -3.687 -3.205 4.121 92 HD2 TYR 10 HD2 TYR 10 -1.121 -0.170 5.646 93 HE1 TYR 10 HE1 TYR 10 -2.557 -4.872 5.526 94 HE2 TYR 10 HE2 TYR 10 0.014 -1.835 7.058 95 HH TYR 10 HH TYR 10 -0.487 -5.218 6.659 96 H TRP 11 HN TRP 11 -2.418 -2.023 1.603 97 HA TRP 11 HA TRP 11 0.234 -2.871 2.278 98 HB2 TRP 11 HB2 TRP 11 -0.249 -4.907 1.004 99 HB3 TRP 11 HB1 TRP 11 -1.518 -4.527 2.149 100 HD1 TRP 11 HD1 TRP 11 -3.904 -3.843 1.177 101 HE1 TRP 11 HE1 TRP 11 -5.008 -4.317 -1.094 102 HE3 TRP 11 HE3 TRP 11 0.268 -5.078 -1.494 103 HZ2 TRP 11 HZ2 TRP 11 -4.211 -5.110 -3.683 104 HZ3 TRP 11 HZ3 TRP 11 0.010 -5.691 -3.864 105 HH2 TRP 11 HH2 TRP 11 -2.183 -5.706 -4.935 106 H LEU 12 HN LEU 12 -1.216 -1.327 -0.458 107 HA LEU 12 HA LEU 12 0.749 -1.883 -2.380 108 HB2 LEU 12 HB2 LEU 12 -1.110 0.466 -2.070 109 HB3 LEU 12 HB1 LEU 12 -0.107 0.200 -3.479 110 HG LEU 12 HG LEU 12 -2.199 -1.753 -2.516 111 HD11 LEU 12 HD11 LEU 12 -2.350 0.307 -4.723 112 HD12 LEU 12 HD12 LEU 12 -3.243 0.350 -3.203 113 HD13 LEU 12 HD13 LEU 12 -3.563 -0.925 -4.379 114 HD21 LEU 12 HD21 LEU 12 -1.931 -2.695 -4.771 115 HD22 LEU 12 HD22 LEU 12 -0.438 -2.772 -3.837 116 HD23 LEU 12 HD23 LEU 12 -0.632 -1.545 -5.088 117 H THR 13 HN THR 13 0.637 0.581 0.147 118 HA THR 13 HA THR 13 2.934 1.966 -0.968 119 HB THR 13 HB THR 13 2.713 3.420 1.069 120 HG1 THR 13 HG1 THR 13 0.188 2.232 1.507 121 HG21 THR 13 HG21 THR 13 0.237 3.072 -0.620 122 HG22 THR 13 HG22 THR 13 1.654 4.035 -1.042 123 HG23 THR 13 HG23 THR 13 0.645 4.504 0.325 124 H ASN 14 HN ASN 14 2.469 -0.676 1.011 125 HA ASN 14 HA ASN 14 4.788 -0.146 2.705 126 HB2 ASN 14 HB2 ASN 14 2.452 -1.948 2.809 127 HB3 ASN 14 HB1 ASN 14 3.922 -2.507 3.604 128 HD21 ASN 14 HD21 ASN 14 1.430 -0.059 3.565 129 HD22 ASN 14 HD22 ASN 14 1.759 0.577 5.141 130 H LYS 15 HN LYS 15 3.875 -1.997 -0.050 131 HA LYS 15 HA LYS 15 6.021 -3.899 0.077 132 HB2 LYS 15 HB2 LYS 15 4.439 -2.942 -2.315 133 HB3 LYS 15 HB1 LYS 15 5.443 -4.380 -2.246 134 HG2 LYS 15 HG2 LYS 15 2.953 -3.890 -0.638 135 HG3 LYS 15 HG1 LYS 15 3.078 -4.919 -2.065 136 HD2 LYS 15 HD2 LYS 15 4.699 -6.340 -0.882 137 HD3 LYS 15 HD1 LYS 15 4.531 -5.320 0.549 138 HE2 LYS 15 HE2 LYS 15 3.169 -7.336 0.733 139 HE3 LYS 15 HE1 LYS 15 2.165 -5.888 0.688 140 HZ1 LYS 15 HZ1 LYS 15 2.684 -7.736 -1.577 141 HZ2 LYS 15 HZ2 LYS 15 1.783 -6.315 -1.683 142 HZ3 LYS 15 HZ3 LYS 15 1.237 -7.590 -0.717 143 H VAL 16 HN VAL 16 5.840 -0.670 -0.439 144 HA VAL 16 HA VAL 16 7.890 -0.397 -2.457 145 HB VAL 16 HB VAL 16 6.831 1.871 -0.821 146 HG11 VAL 16 HG11 VAL 16 7.576 1.592 -3.729 147 HG12 VAL 16 HG12 VAL 16 8.558 2.329 -2.464 148 HG13 VAL 16 HG13 VAL 16 7.035 3.075 -2.944 149 HG21 VAL 16 HG21 VAL 16 5.319 0.506 -3.047 150 HG22 VAL 16 HG22 VAL 16 4.873 2.034 -2.291 151 HG23 VAL 16 HG23 VAL 16 4.856 0.541 -1.340 152 HA PRO 17 HA PRO 17 10.980 -0.298 0.840 153 HB2 PRO 17 HB2 PRO 17 12.944 -0.182 -1.292 154 HB3 PRO 17 HB1 PRO 17 12.646 -1.481 -0.136 155 HG2 PRO 17 HG2 PRO 17 12.099 -1.690 -2.797 156 HG3 PRO 17 HG1 PRO 17 11.222 -2.585 -1.544 157 HD2 PRO 17 HD2 PRO 17 10.421 -0.110 -3.023 158 HD3 PRO 17 HD1 PRO 17 9.435 -1.505 -2.539 159 H ILE 18 HN ILE 18 12.718 1.171 1.390 160 HA ILE 18 HA ILE 18 13.576 3.212 1.760 161 HB ILE 18 HB ILE 18 13.098 3.488 -1.189 162 HG12 ILE 18 HG12 ILE 18 15.607 2.729 0.314 163 HG13 ILE 18 HG11 ILE 18 14.542 1.590 -0.503 164 HG21 ILE 18 HG21 ILE 18 13.407 5.686 -0.187 165 HG22 ILE 18 HG22 ILE 18 14.830 5.245 -1.131 166 HG23 ILE 18 HG23 ILE 18 14.868 5.127 0.628 167 HD11 ILE 18 HD11 ILE 18 15.037 2.652 -2.638 168 HD12 ILE 18 HD12 ILE 18 16.508 2.093 -1.840 169 HD13 ILE 18 HD13 ILE 18 16.090 3.806 -1.822 170 H LYS 19 HN LYS 19 11.784 3.773 3.084 171 HA LYS 19 HA LYS 19 9.550 5.226 2.138 172 HB2 LYS 19 HB2 LYS 19 9.714 4.021 4.331 173 HB3 LYS 19 HB1 LYS 19 10.801 5.285 4.888 174 HG2 LYS 19 HG2 LYS 19 9.079 6.932 4.696 175 HG3 LYS 19 HG1 LYS 19 8.007 5.761 3.936 176 HD2 LYS 19 HD2 LYS 19 9.080 5.535 6.745 177 HD3 LYS 19 HD1 LYS 19 7.485 6.162 6.330 178 HE2 LYS 19 HE2 LYS 19 6.907 4.013 5.314 179 HE3 LYS 19 HE1 LYS 19 8.500 3.387 5.725 180 HZ1 LYS 19 HZ1 LYS 19 6.826 2.687 7.314 181 HZ2 LYS 19 HZ2 LYS 19 6.459 4.297 7.678 182 HZ3 LYS 19 HZ3 LYS 19 7.982 3.671 8.060 183 H ARG 20 HN ARG 20 12.794 6.008 2.984 184 HA ARG 20 HA ARG 20 12.676 8.758 3.390 185 HB2 ARG 20 HB2 ARG 20 14.852 7.181 2.004 186 HB3 ARG 20 HB1 ARG 20 15.028 8.789 2.685 187 HG2 ARG 20 HG2 ARG 20 14.400 6.300 4.246 188 HG3 ARG 20 HG1 ARG 20 15.983 7.059 4.113 189 HD2 ARG 20 HD2 ARG 20 15.103 9.083 5.164 190 HD3 ARG 20 HD1 ARG 20 13.517 8.325 5.293 191 HE ARG 20 HE ARG 20 15.039 6.568 6.597 192 HH11 ARG 20 HH11 ARG 20 14.909 10.061 6.817 193 HH12 ARG 20 HH12 ARG 20 15.356 10.098 8.491 194 HH21 ARG 20 HH21 ARG 20 15.618 6.618 8.804 195 HH22 ARG 20 HH22 ARG 20 15.761 8.141 9.621 196 HA PRO 21 HA PRO 21 11.798 10.296 -0.687 197 HB2 PRO 21 HB2 PRO 21 12.928 12.837 -0.296 198 HB3 PRO 21 HB1 PRO 21 11.264 12.366 0.037 199 HG2 PRO 21 HG2 PRO 21 13.280 13.065 1.911 200 HG3 PRO 21 HG1 PRO 21 11.640 12.499 2.248 201 HD2 PRO 21 HD2 PRO 21 14.186 11.038 2.384 202 HD3 PRO 21 HD1 PRO 21 12.621 10.665 3.129 203 H SER 22 HN SER 22 13.850 8.682 -0.966 204 HA SER 22 HA SER 22 15.701 8.171 -2.153 205 HB2 SER 22 HB2 SER 22 14.461 9.385 -3.945 206 HB3 SER 22 HB1 SER 22 15.293 10.865 -3.476 207 HG SER 22 HG SER 22 16.235 8.639 -4.848 Start of MODEL 14 1 H1 LEU 1 HT1 LEU 1 -16.828 7.579 2.183 2 H2 LEU 1 HT2 LEU 1 -16.057 7.950 0.727 3 H3 LEU 1 HT3 LEU 1 -15.855 8.958 2.066 4 HA LEU 1 HA LEU 1 -13.910 7.597 1.718 5 HB2 LEU 1 HB2 LEU 1 -15.552 6.882 4.146 6 HB3 LEU 1 HB1 LEU 1 -13.847 6.521 3.973 7 HG LEU 1 HG LEU 1 -15.049 9.289 4.028 8 HD11 LEU 1 HD11 LEU 1 -15.137 8.170 6.189 9 HD12 LEU 1 HD12 LEU 1 -13.949 9.473 6.197 10 HD13 LEU 1 HD13 LEU 1 -13.419 7.796 6.073 11 HD21 LEU 1 HD21 LEU 1 -12.174 8.380 3.922 12 HD22 LEU 1 HD22 LEU 1 -12.715 10.042 4.141 13 HD23 LEU 1 HD23 LEU 1 -13.055 9.199 2.632 14 H ARG 2 HN ARG 2 -13.138 5.792 0.858 15 HA ARG 2 HA ARG 2 -14.912 3.441 0.737 16 HB2 ARG 2 HB2 ARG 2 -14.335 4.647 -1.441 17 HB3 ARG 2 HB1 ARG 2 -12.689 4.080 -1.194 18 HG2 ARG 2 HG2 ARG 2 -13.603 2.496 -2.617 19 HG3 ARG 2 HG1 ARG 2 -13.722 1.747 -1.018 20 HD2 ARG 2 HD2 ARG 2 -15.795 1.432 -2.242 21 HD3 ARG 2 HD1 ARG 2 -16.061 2.504 -0.868 22 HE ARG 2 HE ARG 2 -15.525 3.759 -3.442 23 HH11 ARG 2 HH11 ARG 2 -17.891 2.794 -1.046 24 HH12 ARG 2 HH12 ARG 2 -19.117 3.871 -1.634 25 HH21 ARG 2 HH21 ARG 2 -17.142 5.167 -4.228 26 HH22 ARG 2 HH22 ARG 2 -18.693 5.217 -3.453 27 H LEU 3 HN LEU 3 -14.203 1.954 2.158 28 HA LEU 3 HA LEU 3 -11.606 1.949 3.212 29 HB2 LEU 3 HB2 LEU 3 -12.240 -0.431 3.956 30 HB3 LEU 3 HB1 LEU 3 -13.098 0.939 4.641 31 HG LEU 3 HG LEU 3 -14.858 0.450 2.801 32 HD11 LEU 3 HD11 LEU 3 -13.504 -2.236 2.933 33 HD12 LEU 3 HD12 LEU 3 -13.454 -1.145 1.551 34 HD13 LEU 3 HD13 LEU 3 -14.988 -1.841 2.068 35 HD21 LEU 3 HD21 LEU 3 -15.265 0.156 5.153 36 HD22 LEU 3 HD22 LEU 3 -14.421 -1.392 5.131 37 HD23 LEU 3 HD23 LEU 3 -15.939 -1.203 4.254 38 H ILE 4 HN ILE 4 -12.952 0.375 0.440 39 HA ILE 4 HA ILE 4 -10.988 -1.548 0.047 40 HB ILE 4 HB ILE 4 -12.500 0.010 -2.059 41 HG12 ILE 4 HG12 ILE 4 -13.949 -1.240 -0.521 42 HG13 ILE 4 HG11 ILE 4 -13.971 -1.946 -2.128 43 HG21 ILE 4 HG21 ILE 4 -11.952 -1.814 -3.584 44 HG22 ILE 4 HG22 ILE 4 -10.980 -2.581 -2.328 45 HG23 ILE 4 HG23 ILE 4 -10.493 -1.021 -2.992 46 HD11 ILE 4 HD11 ILE 4 -12.425 -3.685 -1.378 47 HD12 ILE 4 HD12 ILE 4 -13.918 -3.669 -0.439 48 HD13 ILE 4 HD13 ILE 4 -12.441 -2.987 0.241 49 H HIS 5 HN HIS 5 -11.046 1.875 -0.855 50 HA HIS 5 HA HIS 5 -8.517 1.815 -2.182 51 HB2 HIS 5 HB2 HIS 5 -10.256 4.048 -1.158 52 HB3 HIS 5 HB1 HIS 5 -8.649 4.366 -1.794 53 HD1 HIS 5 HD1 HIS 5 -8.814 5.177 -4.112 54 HD2 HIS 5 HD2 HIS 5 -11.693 2.298 -3.280 55 HE1 HIS 5 HE1 HIS 5 -10.112 4.882 -6.241 56 HE2 HIS 5 HE2 HIS 5 -11.743 3.024 -5.758 57 H ALA 6 HN ALA 6 -9.587 2.291 1.097 58 HA ALA 6 HA ALA 6 -7.169 3.376 2.114 59 HB1 ALA 6 HB1 ALA 6 -9.349 1.882 3.567 60 HB2 ALA 6 HB2 ALA 6 -9.305 3.622 3.279 61 HB3 ALA 6 HB3 ALA 6 -8.092 2.867 4.313 62 H VAL 7 HN VAL 7 -8.529 0.068 2.181 63 HA VAL 7 HA VAL 7 -6.244 -1.046 3.437 64 HB VAL 7 HB VAL 7 -8.376 -2.185 3.592 65 HG11 VAL 7 HG11 VAL 7 -9.325 -1.616 1.447 66 HG12 VAL 7 HG12 VAL 7 -9.343 -3.368 1.671 67 HG13 VAL 7 HG13 VAL 7 -8.133 -2.625 0.626 68 HG21 VAL 7 HG21 VAL 7 -6.344 -3.822 2.076 69 HG22 VAL 7 HG22 VAL 7 -7.665 -4.470 3.051 70 HG23 VAL 7 HG23 VAL 7 -6.376 -3.544 3.819 71 H ARG 8 HN ARG 8 -7.165 -0.649 0.039 72 HA ARG 8 HA ARG 8 -5.052 -2.106 -1.076 73 HB2 ARG 8 HB2 ARG 8 -6.944 -0.062 -2.013 74 HB3 ARG 8 HB1 ARG 8 -5.418 -0.099 -2.887 75 HG2 ARG 8 HG2 ARG 8 -7.065 -1.493 -3.984 76 HG3 ARG 8 HG1 ARG 8 -5.741 -2.467 -3.351 77 HD2 ARG 8 HD2 ARG 8 -7.112 -3.058 -1.408 78 HD3 ARG 8 HD1 ARG 8 -8.442 -2.108 -2.068 79 HE ARG 8 HE ARG 8 -7.757 -3.905 -4.039 80 HH11 ARG 8 HH11 ARG 8 -8.884 -4.082 -0.729 81 HH12 ARG 8 HH12 ARG 8 -9.677 -5.609 -0.942 82 HH21 ARG 8 HH21 ARG 8 -8.809 -5.915 -4.323 83 HH22 ARG 8 HH22 ARG 8 -9.641 -6.644 -2.985 84 H GLY 9 HN GLY 9 -5.291 1.385 -0.445 85 HA2 GLY 9 HA2 GLY 9 -2.688 2.085 -1.139 86 HA3 GLY 9 HA1 GLY 9 -3.674 2.947 0.032 87 H TYR 10 HN TYR 10 -3.929 0.642 1.783 88 HA TYR 10 HA TYR 10 -1.774 0.995 3.495 89 HB2 TYR 10 HB2 TYR 10 -3.710 0.114 4.468 90 HB3 TYR 10 HB1 TYR 10 -3.876 -1.133 3.240 91 HD1 TYR 10 HD1 TYR 10 -1.390 -0.103 5.847 92 HD2 TYR 10 HD2 TYR 10 -3.435 -3.281 3.895 93 HE1 TYR 10 HE1 TYR 10 -0.283 -1.714 7.329 94 HE2 TYR 10 HE2 TYR 10 -2.325 -4.905 5.373 95 HH TYR 10 HH TYR 10 -0.697 -4.018 8.184 96 H TRP 11 HN TRP 11 -2.381 -1.882 1.414 97 HA TRP 11 HA TRP 11 0.235 -2.862 2.088 98 HB2 TRP 11 HB2 TRP 11 -0.260 -4.767 0.641 99 HB3 TRP 11 HB1 TRP 11 -1.557 -4.460 1.777 100 HD1 TRP 11 HD1 TRP 11 -3.886 -3.602 0.786 101 HE1 TRP 11 HE1 TRP 11 -4.917 -3.855 -1.553 102 HE3 TRP 11 HE3 TRP 11 0.333 -4.791 -1.836 103 HZ2 TRP 11 HZ2 TRP 11 -4.058 -4.474 -4.171 104 HZ3 TRP 11 HZ3 TRP 11 0.143 -5.209 -4.252 105 HH2 TRP 11 HH2 TRP 11 -2.009 -5.053 -5.395 106 H LEU 12 HN LEU 12 -1.181 -1.159 -0.605 107 HA LEU 12 HA LEU 12 0.811 -1.624 -2.512 108 HB2 LEU 12 HB2 LEU 12 -1.047 0.701 -2.083 109 HB3 LEU 12 HB1 LEU 12 0.023 0.582 -3.465 110 HG LEU 12 HG LEU 12 -2.027 -1.518 -2.791 111 HD11 LEU 12 HD11 LEU 12 -3.131 0.635 -3.231 112 HD12 LEU 12 HD12 LEU 12 -3.423 -0.526 -4.523 113 HD13 LEU 12 HD13 LEU 12 -2.250 0.770 -4.752 114 HD21 LEU 12 HD21 LEU 12 -0.208 -2.292 -4.194 115 HD22 LEU 12 HD22 LEU 12 -0.422 -0.919 -5.278 116 HD23 LEU 12 HD23 LEU 12 -1.683 -2.147 -5.151 117 H THR 13 HN THR 13 0.765 0.524 0.233 118 HA THR 13 HA THR 13 3.174 1.888 -0.667 119 HB THR 13 HB THR 13 2.957 3.101 1.546 120 HG1 THR 13 HG1 THR 13 0.309 2.118 1.636 121 HG21 THR 13 HG21 THR 13 1.055 4.464 0.787 122 HG22 THR 13 HG22 THR 13 0.628 3.204 -0.371 123 HG23 THR 13 HG23 THR 13 2.152 4.074 -0.536 124 H ASN 14 HN ASN 14 2.373 -0.863 1.165 125 HA ASN 14 HA ASN 14 4.770 -0.651 2.840 126 HB2 ASN 14 HB2 ASN 14 2.197 -2.091 3.074 127 HB3 ASN 14 HB1 ASN 14 3.605 -2.817 3.844 128 HD21 ASN 14 HD21 ASN 14 1.343 -0.204 3.894 129 HD22 ASN 14 HD22 ASN 14 1.853 0.478 5.403 130 H LYS 15 HN LYS 15 3.405 -2.621 0.286 131 HA LYS 15 HA LYS 15 5.222 -4.801 0.526 132 HB2 LYS 15 HB2 LYS 15 3.787 -3.788 -1.934 133 HB3 LYS 15 HB1 LYS 15 4.563 -5.352 -1.771 134 HG2 LYS 15 HG2 LYS 15 2.192 -4.372 -0.216 135 HG3 LYS 15 HG1 LYS 15 2.162 -5.539 -1.540 136 HD2 LYS 15 HD2 LYS 15 3.638 -7.021 -0.187 137 HD3 LYS 15 HD1 LYS 15 3.477 -5.886 1.152 138 HE2 LYS 15 HE2 LYS 15 1.924 -7.698 1.458 139 HE3 LYS 15 HE1 LYS 15 1.033 -6.223 1.095 140 HZ1 LYS 15 HZ1 LYS 15 1.659 -8.390 -0.835 141 HZ2 LYS 15 HZ2 LYS 15 0.805 -6.976 -1.195 142 HZ3 LYS 15 HZ3 LYS 15 0.152 -8.106 -0.121 143 H VAL 16 HN VAL 16 5.646 -1.660 -0.275 144 HA VAL 16 HA VAL 16 7.617 -1.874 -2.348 145 HB VAL 16 HB VAL 16 7.141 0.541 -0.629 146 HG11 VAL 16 HG11 VAL 16 7.799 0.214 -3.550 147 HG12 VAL 16 HG12 VAL 16 8.924 0.672 -2.274 148 HG13 VAL 16 HG13 VAL 16 7.596 1.748 -2.706 149 HG21 VAL 16 HG21 VAL 16 5.248 1.158 -2.035 150 HG22 VAL 16 HG22 VAL 16 4.933 -0.362 -1.187 151 HG23 VAL 16 HG23 VAL 16 5.378 -0.373 -2.898 152 HA PRO 17 HA PRO 17 10.794 -2.420 0.821 153 HB2 PRO 17 HB2 PRO 17 12.702 -3.389 -0.818 154 HB3 PRO 17 HB1 PRO 17 11.365 -4.392 -0.241 155 HG2 PRO 17 HG2 PRO 17 11.761 -3.099 -2.897 156 HG3 PRO 17 HG1 PRO 17 11.028 -4.665 -2.507 157 HD2 PRO 17 HD2 PRO 17 9.629 -2.332 -3.077 158 HD3 PRO 17 HD1 PRO 17 8.966 -3.742 -2.230 159 H ILE 18 HN ILE 18 11.750 -0.606 1.471 160 HA ILE 18 HA ILE 18 13.194 1.024 -0.506 161 HB ILE 18 HB ILE 18 11.574 2.135 1.798 162 HG12 ILE 18 HG12 ILE 18 10.962 2.136 -1.169 163 HG13 ILE 18 HG11 ILE 18 10.122 1.182 0.048 164 HG21 ILE 18 HG21 ILE 18 12.989 3.505 -0.490 165 HG22 ILE 18 HG22 ILE 18 13.504 3.498 1.195 166 HG23 ILE 18 HG23 ILE 18 12.003 4.302 0.734 167 HD11 ILE 18 HD11 ILE 18 10.169 4.187 -0.113 168 HD12 ILE 18 HD12 ILE 18 9.326 3.231 1.106 169 HD13 ILE 18 HD13 ILE 18 8.834 3.137 -0.585 170 H LYS 19 HN LYS 19 15.049 -0.159 0.232 171 HA LYS 19 HA LYS 19 15.943 0.430 2.947 172 HB2 LYS 19 HB2 LYS 19 17.264 -1.228 0.790 173 HB3 LYS 19 HB1 LYS 19 17.806 -1.090 2.457 174 HG2 LYS 19 HG2 LYS 19 15.209 -2.295 1.522 175 HG3 LYS 19 HG1 LYS 19 16.623 -3.173 2.108 176 HD2 LYS 19 HD2 LYS 19 16.377 -2.103 4.297 177 HD3 LYS 19 HD1 LYS 19 14.964 -1.224 3.710 178 HE2 LYS 19 HE2 LYS 19 13.803 -3.335 3.323 179 HE3 LYS 19 HE1 LYS 19 15.217 -4.223 3.880 180 HZ1 LYS 19 HZ1 LYS 19 13.616 -2.343 5.527 181 HZ2 LYS 19 HZ2 LYS 19 14.955 -3.229 6.058 182 HZ3 LYS 19 HZ3 LYS 19 13.535 -4.030 5.607 183 H ARG 20 HN ARG 20 16.287 1.526 -0.248 184 HA ARG 20 HA ARG 20 18.727 2.998 0.242 185 HB2 ARG 20 HB2 ARG 20 18.597 3.733 -2.000 186 HB3 ARG 20 HB1 ARG 20 18.008 2.080 -2.041 187 HG2 ARG 20 HG2 ARG 20 16.186 4.470 -1.917 188 HG3 ARG 20 HG1 ARG 20 16.740 3.750 -3.429 189 HD2 ARG 20 HD2 ARG 20 15.683 1.662 -2.878 190 HD3 ARG 20 HD1 ARG 20 15.262 2.252 -1.273 191 HE ARG 20 HE ARG 20 13.993 4.031 -2.744 192 HH11 ARG 20 HH11 ARG 20 14.223 0.564 -3.205 193 HH12 ARG 20 HH12 ARG 20 12.640 0.427 -3.904 194 HH21 ARG 20 HH21 ARG 20 11.902 3.837 -3.660 195 HH22 ARG 20 HH22 ARG 20 11.335 2.279 -4.167 196 HA PRO 21 HA PRO 21 16.837 6.653 1.886 197 HB2 PRO 21 HB2 PRO 21 18.580 8.322 0.199 198 HB3 PRO 21 HB1 PRO 21 18.524 8.183 1.957 199 HG2 PRO 21 HG2 PRO 21 20.565 7.183 0.529 200 HG3 PRO 21 HG1 PRO 21 19.970 6.387 1.997 201 HD2 PRO 21 HD2 PRO 21 19.456 5.700 -0.871 202 HD3 PRO 21 HD1 PRO 21 19.784 4.626 0.503 203 H SER 22 HN SER 22 14.775 6.746 1.046 204 HA SER 22 HA SER 22 14.473 8.323 -1.418 205 HB2 SER 22 HB2 SER 22 12.734 6.004 -0.539 206 HB3 SER 22 HB1 SER 22 12.479 6.998 -1.974 207 HG SER 22 HG SER 22 14.982 6.139 -2.025 Start of MODEL 15 1 H1 LEU 1 HT1 LEU 1 -13.546 9.402 2.352 2 H2 LEU 1 HT2 LEU 1 -14.434 8.810 1.044 3 H3 LEU 1 HT3 LEU 1 -12.888 8.211 1.352 4 HA LEU 1 HA LEU 1 -13.618 7.253 3.422 5 HB2 LEU 1 HB2 LEU 1 -16.060 8.769 2.721 6 HB3 LEU 1 HB1 LEU 1 -16.319 7.179 3.409 7 HG LEU 1 HG LEU 1 -14.974 7.838 5.381 8 HD11 LEU 1 HD11 LEU 1 -13.576 9.540 4.337 9 HD12 LEU 1 HD12 LEU 1 -14.426 10.182 5.742 10 HD13 LEU 1 HD13 LEU 1 -14.990 10.573 4.118 11 HD21 LEU 1 HD21 LEU 1 -17.289 9.660 4.748 12 HD22 LEU 1 HD22 LEU 1 -16.653 9.316 6.356 13 HD23 LEU 1 HD23 LEU 1 -17.401 8.030 5.410 14 H ARG 2 HN ARG 2 -12.749 5.655 1.997 15 HA ARG 2 HA ARG 2 -14.800 3.775 1.170 16 HB2 ARG 2 HB2 ARG 2 -14.218 5.155 -0.866 17 HB3 ARG 2 HB1 ARG 2 -12.582 4.523 -0.725 18 HG2 ARG 2 HG2 ARG 2 -13.797 3.272 -2.385 19 HG3 ARG 2 HG1 ARG 2 -13.448 2.244 -0.993 20 HD2 ARG 2 HD2 ARG 2 -15.736 1.924 -1.829 21 HD3 ARG 2 HD1 ARG 2 -15.711 2.532 -0.175 22 HE ARG 2 HE ARG 2 -15.932 4.595 -2.172 23 HH11 ARG 2 HH11 ARG 2 -17.715 2.305 -0.205 24 HH12 ARG 2 HH12 ARG 2 -19.188 3.223 -0.250 25 HH21 ARG 2 HH21 ARG 2 -17.861 5.806 -2.223 26 HH22 ARG 2 HH22 ARG 2 -19.270 5.216 -1.402 27 H LEU 3 HN LEU 3 -14.241 1.882 2.008 28 HA LEU 3 HA LEU 3 -11.802 1.557 3.332 29 HB2 LEU 3 HB2 LEU 3 -12.513 -0.895 3.445 30 HB3 LEU 3 HB1 LEU 3 -13.501 0.302 4.263 31 HG LEU 3 HG LEU 3 -14.900 0.224 2.044 32 HD11 LEU 3 HD11 LEU 3 -14.916 -1.961 0.993 33 HD12 LEU 3 HD12 LEU 3 -13.569 -2.476 2.008 34 HD13 LEU 3 HD13 LEU 3 -13.335 -1.199 0.815 35 HD21 LEU 3 HD21 LEU 3 -15.756 -0.396 4.199 36 HD22 LEU 3 HD22 LEU 3 -14.900 -1.936 4.131 37 HD23 LEU 3 HD23 LEU 3 -16.226 -1.613 3.013 38 H ILE 4 HN ILE 4 -12.778 0.670 0.125 39 HA ILE 4 HA ILE 4 -10.796 -1.202 -0.413 40 HB ILE 4 HB ILE 4 -12.107 0.773 -2.284 41 HG12 ILE 4 HG12 ILE 4 -13.635 -0.836 -1.240 42 HG13 ILE 4 HG11 ILE 4 -13.459 -1.158 -2.959 43 HG21 ILE 4 HG21 ILE 4 -11.327 -0.663 -4.120 44 HG22 ILE 4 HG22 ILE 4 -10.399 -1.619 -2.965 45 HG23 ILE 4 HG23 ILE 4 -9.988 0.074 -3.241 46 HD11 ILE 4 HD11 ILE 4 -11.905 -2.977 -2.459 47 HD12 ILE 4 HD12 ILE 4 -13.477 -3.218 -1.698 48 HD13 ILE 4 HD13 ILE 4 -12.109 -2.665 -0.733 49 H HIS 5 HN HIS 5 -10.749 2.330 -0.714 50 HA HIS 5 HA HIS 5 -8.095 2.493 -1.710 51 HB2 HIS 5 HB2 HIS 5 -9.860 4.519 -0.333 52 HB3 HIS 5 HB1 HIS 5 -8.237 4.898 -0.889 53 HD1 HIS 5 HD1 HIS 5 -8.354 6.152 -2.997 54 HD2 HIS 5 HD2 HIS 5 -11.332 3.264 -2.769 55 HE1 HIS 5 HE1 HIS 5 -9.654 6.349 -5.133 56 HE2 HIS 5 HE2 HIS 5 -11.328 4.474 -5.051 57 H ALA 6 HN ALA 6 -9.492 2.260 1.465 58 HA ALA 6 HA ALA 6 -7.222 3.188 2.908 59 HB1 ALA 6 HB1 ALA 6 -9.509 1.479 3.877 60 HB2 ALA 6 HB2 ALA 6 -9.499 3.241 3.829 61 HB3 ALA 6 HB3 ALA 6 -8.377 2.382 4.882 62 H VAL 7 HN VAL 7 -8.405 -0.046 2.015 63 HA VAL 7 HA VAL 7 -6.188 -1.256 3.440 64 HB VAL 7 HB VAL 7 -8.340 -2.359 3.611 65 HG11 VAL 7 HG11 VAL 7 -9.330 -3.502 1.669 66 HG12 VAL 7 HG12 VAL 7 -8.142 -2.714 0.632 67 HG13 VAL 7 HG13 VAL 7 -9.329 -1.747 1.508 68 HG21 VAL 7 HG21 VAL 7 -6.376 -4.005 2.016 69 HG22 VAL 7 HG22 VAL 7 -7.664 -4.636 3.044 70 HG23 VAL 7 HG23 VAL 7 -6.328 -3.733 3.758 71 H ARG 8 HN ARG 8 -7.194 -0.812 0.051 72 HA ARG 8 HA ARG 8 -5.168 -2.424 -1.072 73 HB2 ARG 8 HB2 ARG 8 -6.976 -0.306 -2.098 74 HB3 ARG 8 HB1 ARG 8 -5.551 -0.675 -3.056 75 HG2 ARG 8 HG2 ARG 8 -7.479 -1.919 -3.832 76 HG3 ARG 8 HG1 ARG 8 -6.244 -3.006 -3.200 77 HD2 ARG 8 HD2 ARG 8 -7.465 -3.321 -1.175 78 HD3 ARG 8 HD1 ARG 8 -8.618 -2.061 -1.607 79 HE ARG 8 HE ARG 8 -8.994 -3.730 -3.617 80 HH11 ARG 8 HH11 ARG 8 -8.584 -4.475 -0.217 81 HH12 ARG 8 HH12 ARG 8 -9.616 -5.867 -0.268 82 HH21 ARG 8 HH21 ARG 8 -10.353 -5.569 -3.676 83 HH22 ARG 8 HH22 ARG 8 -10.613 -6.490 -2.227 84 H GLY 9 HN GLY 9 -5.339 1.122 -0.898 85 HA2 GLY 9 HA2 GLY 9 -2.739 1.676 -1.681 86 HA3 GLY 9 HA1 GLY 9 -3.701 2.705 -0.630 87 H TYR 10 HN TYR 10 -3.962 0.628 1.396 88 HA TYR 10 HA TYR 10 -1.813 1.188 3.057 89 HB2 TYR 10 HB2 TYR 10 -3.810 0.432 4.063 90 HB3 TYR 10 HB1 TYR 10 -3.882 -1.001 3.047 91 HD1 TYR 10 HD1 TYR 10 -3.376 -3.002 4.025 92 HD2 TYR 10 HD2 TYR 10 -1.592 0.534 5.584 93 HE1 TYR 10 HE1 TYR 10 -2.287 -4.332 5.790 94 HE2 TYR 10 HE2 TYR 10 -0.508 -0.783 7.352 95 HH TYR 10 HH TYR 10 -0.756 -2.898 8.499 96 H TRP 11 HN TRP 11 -2.436 -2.025 1.544 97 HA TRP 11 HA TRP 11 0.153 -2.898 2.319 98 HB2 TRP 11 HB2 TRP 11 -0.319 -4.959 1.119 99 HB3 TRP 11 HB1 TRP 11 -1.689 -4.479 2.098 100 HD1 TRP 11 HD1 TRP 11 -3.940 -3.819 0.842 101 HE1 TRP 11 HE1 TRP 11 -4.780 -4.321 -1.535 102 HE3 TRP 11 HE3 TRP 11 0.486 -5.177 -1.311 103 HZ2 TRP 11 HZ2 TRP 11 -3.710 -5.181 -4.001 104 HZ3 TRP 11 HZ3 TRP 11 0.492 -5.837 -3.680 105 HH2 TRP 11 HH2 TRP 11 -1.563 -5.838 -4.999 106 H LEU 12 HN LEU 12 -1.095 -1.409 -0.548 107 HA LEU 12 HA LEU 12 0.988 -2.021 -2.319 108 HB2 LEU 12 HB2 LEU 12 -0.836 0.368 -2.137 109 HB3 LEU 12 HB1 LEU 12 0.262 0.090 -3.472 110 HG LEU 12 HG LEU 12 -1.927 -1.829 -2.671 111 HD11 LEU 12 HD11 LEU 12 -2.903 0.275 -3.428 112 HD12 LEU 12 HD12 LEU 12 -3.127 -0.982 -4.645 113 HD13 LEU 12 HD13 LEU 12 -1.884 0.249 -4.867 114 HD21 LEU 12 HD21 LEU 12 -1.498 -2.775 -4.901 115 HD22 LEU 12 HD22 LEU 12 -0.084 -2.875 -3.853 116 HD23 LEU 12 HD23 LEU 12 -0.162 -1.645 -5.114 117 H THR 13 HN THR 13 0.577 0.760 -0.127 118 HA THR 13 HA THR 13 3.100 1.904 -0.898 119 HB THR 13 HB THR 13 2.666 3.515 0.968 120 HG1 THR 13 HG1 THR 13 0.152 2.181 1.186 121 HG21 THR 13 HG21 THR 13 1.878 3.968 -1.306 122 HG22 THR 13 HG22 THR 13 0.754 4.600 -0.104 123 HG23 THR 13 HG23 THR 13 0.380 3.106 -0.961 124 H ASN 14 HN ASN 14 2.250 -0.602 1.119 125 HA ASN 14 HA ASN 14 4.282 -0.115 3.138 126 HB2 ASN 14 HB2 ASN 14 2.116 -2.104 2.733 127 HB3 ASN 14 HB1 ASN 14 3.432 -2.503 3.834 128 HD21 ASN 14 HD21 ASN 14 2.266 0.748 3.345 129 HD22 ASN 14 HD22 ASN 14 1.547 0.938 4.903 130 H LYS 15 HN LYS 15 3.760 -2.196 0.346 131 HA LYS 15 HA LYS 15 5.944 -3.933 0.714 132 HB2 LYS 15 HB2 LYS 15 4.880 -2.882 -1.917 133 HB3 LYS 15 HB1 LYS 15 5.827 -4.345 -1.683 134 HG2 LYS 15 HG2 LYS 15 3.049 -3.838 -0.657 135 HG3 LYS 15 HG1 LYS 15 3.492 -4.874 -2.016 136 HD2 LYS 15 HD2 LYS 15 4.812 -6.279 -0.465 137 HD3 LYS 15 HD1 LYS 15 4.259 -5.274 0.876 138 HE2 LYS 15 HE2 LYS 15 2.928 -7.301 0.721 139 HE3 LYS 15 HE1 LYS 15 1.941 -5.883 0.368 140 HZ1 LYS 15 HZ1 LYS 15 2.200 -6.354 -1.997 141 HZ2 LYS 15 HZ2 LYS 15 1.492 -7.658 -1.189 142 HZ3 LYS 15 HZ3 LYS 15 3.118 -7.728 -1.639 143 H VAL 16 HN VAL 16 5.639 -0.718 -0.427 144 HA VAL 16 HA VAL 16 8.150 -0.255 -1.574 145 HB VAL 16 HB VAL 16 6.712 1.834 0.023 146 HG11 VAL 16 HG11 VAL 16 8.085 1.884 -2.657 147 HG12 VAL 16 HG12 VAL 16 8.740 2.481 -1.133 148 HG13 VAL 16 HG13 VAL 16 7.341 3.270 -1.860 149 HG21 VAL 16 HG21 VAL 16 5.743 0.674 -2.586 150 HG22 VAL 16 HG22 VAL 16 5.150 2.173 -1.869 151 HG23 VAL 16 HG23 VAL 16 4.904 0.634 -1.028 152 HA PRO 17 HA PRO 17 10.701 -0.684 2.059 153 HB2 PRO 17 HB2 PRO 17 12.571 1.111 0.693 154 HB3 PRO 17 HB1 PRO 17 12.818 -0.540 1.255 155 HG2 PRO 17 HG2 PRO 17 12.591 0.053 -1.363 156 HG3 PRO 17 HG1 PRO 17 12.003 -1.472 -0.680 157 HD2 PRO 17 HD2 PRO 17 10.477 0.944 -1.522 158 HD3 PRO 17 HD1 PRO 17 10.028 -0.770 -1.618 159 H ILE 18 HN ILE 18 10.281 0.390 3.822 160 HA ILE 18 HA ILE 18 10.238 3.326 3.758 161 HB ILE 18 HB ILE 18 8.809 1.510 5.715 162 HG12 ILE 18 HG12 ILE 18 7.728 3.173 3.425 163 HG13 ILE 18 HG11 ILE 18 7.827 1.417 3.457 164 HG21 ILE 18 HG21 ILE 18 8.711 4.504 5.357 165 HG22 ILE 18 HG22 ILE 18 9.445 3.641 6.706 166 HG23 ILE 18 HG23 ILE 18 7.701 3.571 6.461 167 HD11 ILE 18 HD11 ILE 18 5.566 2.239 3.894 168 HD12 ILE 18 HD12 ILE 18 6.161 3.097 5.316 169 HD13 ILE 18 HD13 ILE 18 6.216 1.336 5.261 170 H LYS 19 HN LYS 19 12.393 3.576 4.104 171 HA LYS 19 HA LYS 19 13.699 2.287 6.355 172 HB2 LYS 19 HB2 LYS 19 14.790 4.307 4.383 173 HB3 LYS 19 HB1 LYS 19 15.731 3.316 5.492 174 HG2 LYS 19 HG2 LYS 19 15.092 1.314 4.320 175 HG3 LYS 19 HG1 LYS 19 14.012 2.232 3.269 176 HD2 LYS 19 HD2 LYS 19 15.991 3.496 2.448 177 HD3 LYS 19 HD1 LYS 19 17.020 2.433 3.411 178 HE2 LYS 19 HE2 LYS 19 15.149 1.538 1.219 179 HE3 LYS 19 HE1 LYS 19 16.893 1.732 1.055 180 HZ1 LYS 19 HZ1 LYS 19 16.254 -0.576 1.452 181 HZ2 LYS 19 HZ2 LYS 19 15.555 -0.141 2.926 182 HZ3 LYS 19 HZ3 LYS 19 17.221 0.021 2.704 183 H ARG 20 HN ARG 20 12.201 5.257 5.537 184 HA ARG 20 HA ARG 20 13.384 6.728 7.743 185 HB2 ARG 20 HB2 ARG 20 11.139 7.515 5.878 186 HB3 ARG 20 HB1 ARG 20 12.019 8.587 6.952 187 HG2 ARG 20 HG2 ARG 20 14.046 8.275 5.689 188 HG3 ARG 20 HG1 ARG 20 13.256 7.082 4.658 189 HD2 ARG 20 HD2 ARG 20 11.678 8.831 3.913 190 HD3 ARG 20 HD1 ARG 20 12.568 10.008 4.876 191 HE ARG 20 HE ARG 20 14.444 8.834 3.246 192 HH11 ARG 20 HH11 ARG 20 11.468 10.605 2.770 193 HH12 ARG 20 HH12 ARG 20 11.961 11.274 1.249 194 HH21 ARG 20 HH21 ARG 20 15.093 9.712 1.238 195 HH22 ARG 20 HH22 ARG 20 14.018 10.771 0.379 196 HA PRO 21 HA PRO 21 10.321 5.590 10.652 197 HB2 PRO 21 HB2 PRO 21 10.248 7.759 12.275 198 HB3 PRO 21 HB1 PRO 21 11.606 6.633 12.233 199 HG2 PRO 21 HG2 PRO 21 11.345 9.333 11.004 200 HG3 PRO 21 HG1 PRO 21 12.762 8.563 11.736 201 HD2 PRO 21 HD2 PRO 21 12.308 8.755 9.025 202 HD3 PRO 21 HD1 PRO 21 13.352 7.542 9.781 203 H SER 22 HN SER 22 8.274 5.381 9.979 204 HA SER 22 HA SER 22 6.540 7.710 10.088 205 HB2 SER 22 HB2 SER 22 6.679 5.947 7.627 206 HB3 SER 22 HB1 SER 22 5.531 7.258 7.895 207 HG SER 22 HG SER 22 8.030 8.157 8.285 Start of MODEL 16 1 H1 LEU 1 HT1 LEU 1 -10.484 10.004 1.200 2 H2 LEU 1 HT2 LEU 1 -11.540 9.504 2.423 3 H3 LEU 1 HT3 LEU 1 -12.026 9.434 0.807 4 HA LEU 1 HA LEU 1 -10.409 7.755 0.326 5 HB2 LEU 1 HB2 LEU 1 -8.735 8.540 1.957 6 HB3 LEU 1 HB1 LEU 1 -9.744 7.950 3.262 7 HG LEU 1 HG LEU 1 -9.468 5.646 2.410 8 HD11 LEU 1 HD11 LEU 1 -9.081 6.152 0.064 9 HD12 LEU 1 HD12 LEU 1 -7.755 5.198 0.722 10 HD13 LEU 1 HD13 LEU 1 -7.553 6.931 0.468 11 HD21 LEU 1 HD21 LEU 1 -6.907 7.140 2.937 12 HD22 LEU 1 HD22 LEU 1 -7.126 5.396 3.080 13 HD23 LEU 1 HD23 LEU 1 -8.001 6.487 4.154 14 H ARG 2 HN ARG 2 -11.368 5.816 0.144 15 HA ARG 2 HA ARG 2 -13.535 5.186 2.035 16 HB2 ARG 2 HB2 ARG 2 -13.932 5.519 -0.512 17 HB3 ARG 2 HB1 ARG 2 -13.192 3.934 -0.669 18 HG2 ARG 2 HG2 ARG 2 -15.565 3.680 -0.676 19 HG3 ARG 2 HG1 ARG 2 -14.932 3.019 0.828 20 HD2 ARG 2 HD2 ARG 2 -15.611 4.999 2.031 21 HD3 ARG 2 HD1 ARG 2 -16.126 5.770 0.532 22 HE ARG 2 HE ARG 2 -17.488 3.322 0.849 23 HH11 ARG 2 HH11 ARG 2 -17.365 6.537 2.236 24 HH12 ARG 2 HH12 ARG 2 -19.038 6.547 2.688 25 HH21 ARG 2 HH21 ARG 2 -19.702 3.335 1.435 26 HH22 ARG 2 HH22 ARG 2 -20.365 4.718 2.248 27 H LEU 3 HN LEU 3 -13.916 2.769 2.256 28 HA LEU 3 HA LEU 3 -11.873 1.638 3.650 29 HB2 LEU 3 HB2 LEU 3 -14.384 1.084 3.489 30 HB3 LEU 3 HB1 LEU 3 -13.844 -0.015 2.251 31 HG LEU 3 HG LEU 3 -12.776 -0.136 5.051 32 HD11 LEU 3 HD11 LEU 3 -15.200 -0.432 5.104 33 HD12 LEU 3 HD12 LEU 3 -14.359 -1.942 5.452 34 HD13 LEU 3 HD13 LEU 3 -15.075 -1.678 3.862 35 HD21 LEU 3 HD21 LEU 3 -12.843 -2.149 2.805 36 HD22 LEU 3 HD22 LEU 3 -12.176 -2.417 4.417 37 HD23 LEU 3 HD23 LEU 3 -11.429 -1.240 3.336 38 H ILE 4 HN ILE 4 -12.959 0.483 0.488 39 HA ILE 4 HA ILE 4 -10.955 -1.425 0.171 40 HB ILE 4 HB ILE 4 -12.591 0.027 -1.903 41 HG12 ILE 4 HG12 ILE 4 -13.854 -1.388 -0.353 42 HG13 ILE 4 HG11 ILE 4 -13.856 -2.080 -1.968 43 HG21 ILE 4 HG21 ILE 4 -10.801 -2.366 -2.298 44 HG22 ILE 4 HG22 ILE 4 -10.555 -0.756 -2.972 45 HG23 ILE 4 HG23 ILE 4 -11.933 -1.726 -3.487 46 HD11 ILE 4 HD11 ILE 4 -13.566 -3.813 -0.330 47 HD12 ILE 4 HD12 ILE 4 -12.179 -2.975 0.360 48 HD13 ILE 4 HD13 ILE 4 -12.086 -3.640 -1.271 49 H HIS 5 HN HIS 5 -10.997 1.985 -0.679 50 HA HIS 5 HA HIS 5 -8.500 1.900 -2.071 51 HB2 HIS 5 HB2 HIS 5 -10.180 4.150 -0.984 52 HB3 HIS 5 HB1 HIS 5 -8.593 4.441 -1.686 53 HD1 HIS 5 HD1 HIS 5 -8.793 5.182 -4.017 54 HD2 HIS 5 HD2 HIS 5 -11.762 2.455 -3.019 55 HE1 HIS 5 HE1 HIS 5 -10.181 4.907 -6.089 56 HE2 HIS 5 HE2 HIS 5 -12.022 3.320 -5.440 57 H ALA 6 HN ALA 6 -9.456 2.089 1.243 58 HA ALA 6 HA ALA 6 -6.980 3.248 2.165 59 HB1 ALA 6 HB1 ALA 6 -9.148 1.832 3.713 60 HB2 ALA 6 HB2 ALA 6 -9.051 3.568 3.421 61 HB3 ALA 6 HB3 ALA 6 -7.824 2.770 4.405 62 H VAL 7 HN VAL 7 -8.422 0.002 2.165 63 HA VAL 7 HA VAL 7 -6.160 -1.223 3.369 64 HB VAL 7 HB VAL 7 -8.270 -2.331 3.586 65 HG11 VAL 7 HG11 VAL 7 -8.289 -2.541 0.585 66 HG12 VAL 7 HG12 VAL 7 -9.377 -1.577 1.587 67 HG13 VAL 7 HG13 VAL 7 -9.431 -3.340 1.665 68 HG21 VAL 7 HG21 VAL 7 -6.446 -3.933 1.793 69 HG22 VAL 7 HG22 VAL 7 -7.712 -4.598 2.826 70 HG23 VAL 7 HG23 VAL 7 -6.324 -3.783 3.547 71 H ARG 8 HN ARG 8 -7.162 -0.747 -0.001 72 HA ARG 8 HA ARG 8 -5.090 -2.251 -1.164 73 HB2 ARG 8 HB2 ARG 8 -6.962 -0.161 -2.094 74 HB3 ARG 8 HB1 ARG 8 -5.490 -0.350 -3.036 75 HG2 ARG 8 HG2 ARG 8 -7.300 -1.671 -3.968 76 HG3 ARG 8 HG1 ARG 8 -6.000 -2.704 -3.377 77 HD2 ARG 8 HD2 ARG 8 -7.250 -3.235 -1.394 78 HD3 ARG 8 HD1 ARG 8 -8.508 -2.081 -1.831 79 HE ARG 8 HE ARG 8 -8.395 -3.810 -3.945 80 HH11 ARG 8 HH11 ARG 8 -8.861 -4.196 -0.500 81 HH12 ARG 8 HH12 ARG 8 -9.914 -5.562 -0.659 82 HH21 ARG 8 HH21 ARG 8 -9.787 -5.605 -4.163 83 HH22 ARG 8 HH22 ARG 8 -10.449 -6.356 -2.746 84 H GLY 9 HN GLY 9 -5.316 1.258 -0.618 85 HA2 GLY 9 HA2 GLY 9 -2.721 1.925 -1.381 86 HA3 GLY 9 HA1 GLY 9 -3.691 2.831 -0.231 87 H TYR 10 HN TYR 10 -3.939 0.632 1.620 88 HA TYR 10 HA TYR 10 -1.796 1.002 3.318 89 HB2 TYR 10 HB2 TYR 10 -3.733 0.125 4.279 90 HB3 TYR 10 HB1 TYR 10 -3.886 -1.132 3.064 91 HD1 TYR 10 HD1 TYR 10 -1.409 -0.102 5.692 92 HD2 TYR 10 HD2 TYR 10 -3.511 -3.264 3.769 93 HE1 TYR 10 HE1 TYR 10 -0.374 -1.720 7.231 94 HE2 TYR 10 HE2 TYR 10 -2.477 -4.887 5.298 95 HH TYR 10 HH TYR 10 -0.582 -5.123 6.729 96 H TRP 11 HN TRP 11 -2.346 -1.936 1.298 97 HA TRP 11 HA TRP 11 0.271 -2.865 2.015 98 HB2 TRP 11 HB2 TRP 11 -0.185 -4.810 0.618 99 HB3 TRP 11 HB1 TRP 11 -1.523 -4.475 1.696 100 HD1 TRP 11 HD1 TRP 11 -3.833 -3.761 0.626 101 HE1 TRP 11 HE1 TRP 11 -4.782 -4.039 -1.745 102 HE3 TRP 11 HE3 TRP 11 0.515 -4.754 -1.863 103 HZ2 TRP 11 HZ2 TRP 11 -3.809 -4.605 -4.341 104 HZ3 TRP 11 HZ3 TRP 11 0.421 -5.161 -4.287 105 HH2 TRP 11 HH2 TRP 11 -1.696 -5.088 -5.500 106 H LEU 12 HN LEU 12 -1.102 -1.153 -0.676 107 HA LEU 12 HA LEU 12 0.940 -1.578 -2.549 108 HB2 LEU 12 HB2 LEU 12 -0.950 0.729 -2.145 109 HB3 LEU 12 HB1 LEU 12 0.136 0.604 -3.513 110 HG LEU 12 HG LEU 12 -1.937 -1.485 -2.857 111 HD11 LEU 12 HD11 LEU 12 -2.099 0.805 -4.825 112 HD12 LEU 12 HD12 LEU 12 -3.029 0.658 -3.334 113 HD13 LEU 12 HD13 LEU 12 -3.279 -0.492 -4.648 114 HD21 LEU 12 HD21 LEU 12 -1.545 -2.196 -5.155 115 HD22 LEU 12 HD22 LEU 12 -0.047 -2.233 -4.227 116 HD23 LEU 12 HD23 LEU 12 -0.348 -0.917 -5.361 117 H THR 13 HN THR 13 0.755 0.582 0.196 118 HA THR 13 HA THR 13 3.219 1.921 -0.600 119 HB THR 13 HB THR 13 2.871 3.186 1.575 120 HG1 THR 13 HG1 THR 13 0.232 2.133 1.452 121 HG21 THR 13 HG21 THR 13 0.682 3.289 -0.502 122 HG22 THR 13 HG22 THR 13 2.240 4.109 -0.599 123 HG23 THR 13 HG23 THR 13 1.076 4.574 0.642 124 H ASN 14 HN ASN 14 2.274 -0.765 1.254 125 HA ASN 14 HA ASN 14 4.506 -0.492 3.130 126 HB2 ASN 14 HB2 ASN 14 1.896 -1.855 3.187 127 HB3 ASN 14 HB1 ASN 14 3.205 -2.624 4.077 128 HD21 ASN 14 HD21 ASN 14 1.117 0.136 3.862 129 HD22 ASN 14 HD22 ASN 14 1.498 0.795 5.419 130 H LYS 15 HN LYS 15 3.294 -2.704 0.650 131 HA LYS 15 HA LYS 15 5.094 -4.830 1.323 132 HB2 LYS 15 HB2 LYS 15 3.595 -4.290 -1.244 133 HB3 LYS 15 HB1 LYS 15 4.416 -5.789 -0.839 134 HG2 LYS 15 HG2 LYS 15 2.052 -4.590 0.566 135 HG3 LYS 15 HG1 LYS 15 2.051 -6.029 -0.461 136 HD2 LYS 15 HD2 LYS 15 3.604 -7.115 1.141 137 HD3 LYS 15 HD1 LYS 15 3.466 -5.700 2.185 138 HE2 LYS 15 HE2 LYS 15 1.035 -6.098 2.341 139 HE3 LYS 15 HE1 LYS 15 1.234 -7.555 1.372 140 HZ1 LYS 15 HZ1 LYS 15 2.731 -8.413 3.099 141 HZ2 LYS 15 HZ2 LYS 15 1.172 -8.125 3.687 142 HZ3 LYS 15 HZ3 LYS 15 2.423 -7.042 4.043 143 H VAL 16 HN VAL 16 5.627 -1.907 0.135 144 HA VAL 16 HA VAL 16 7.675 -2.549 -1.817 145 HB VAL 16 HB VAL 16 7.089 0.204 -0.803 146 HG11 VAL 16 HG11 VAL 16 7.771 -0.871 -3.536 147 HG12 VAL 16 HG12 VAL 16 8.887 -0.092 -2.417 148 HG13 VAL 16 HG13 VAL 16 7.557 0.829 -3.119 149 HG21 VAL 16 HG21 VAL 16 4.898 -0.872 -1.117 150 HG22 VAL 16 HG22 VAL 16 5.356 -1.278 -2.777 151 HG23 VAL 16 HG23 VAL 16 5.190 0.411 -2.300 152 HA PRO 17 HA PRO 17 10.629 -2.379 1.612 153 HB2 PRO 17 HB2 PRO 17 12.636 -2.918 -0.424 154 HB3 PRO 17 HB1 PRO 17 12.164 -3.909 0.954 155 HG2 PRO 17 HG2 PRO 17 11.606 -4.597 -1.613 156 HG3 PRO 17 HG1 PRO 17 10.586 -5.062 -0.241 157 HD2 PRO 17 HD2 PRO 17 10.183 -2.893 -2.258 158 HD3 PRO 17 HD1 PRO 17 8.991 -3.973 -1.502 159 H ILE 18 HN ILE 18 11.307 -0.465 2.282 160 HA ILE 18 HA ILE 18 12.423 1.416 0.320 161 HB ILE 18 HB ILE 18 10.796 2.158 2.761 162 HG12 ILE 18 HG12 ILE 18 10.024 2.244 -0.167 163 HG13 ILE 18 HG11 ILE 18 9.419 1.079 1.006 164 HG21 ILE 18 HG21 ILE 18 10.827 4.415 1.794 165 HG22 ILE 18 HG22 ILE 18 11.870 3.836 0.497 166 HG23 ILE 18 HG23 ILE 18 12.452 3.836 2.161 167 HD11 ILE 18 HD11 ILE 18 7.797 2.830 0.599 168 HD12 ILE 18 HD12 ILE 18 8.973 4.055 1.074 169 HD13 ILE 18 HD13 ILE 18 8.376 2.897 2.262 170 H LYS 19 HN LYS 19 14.542 0.964 0.739 171 HA LYS 19 HA LYS 19 15.553 0.925 3.444 172 HB2 LYS 19 HB2 LYS 19 17.755 0.590 2.369 173 HB3 LYS 19 HB1 LYS 19 16.553 -0.574 1.832 174 HG2 LYS 19 HG2 LYS 19 16.232 0.707 -0.228 175 HG3 LYS 19 HG1 LYS 19 17.446 1.869 0.314 176 HD2 LYS 19 HD2 LYS 19 19.135 0.111 0.336 177 HD3 LYS 19 HD1 LYS 19 17.925 -1.071 -0.166 178 HE2 LYS 19 HE2 LYS 19 17.578 0.185 -2.246 179 HE3 LYS 19 HE1 LYS 19 18.814 1.337 -1.744 180 HZ1 LYS 19 HZ1 LYS 19 20.447 -0.415 -1.788 181 HZ2 LYS 19 HZ2 LYS 19 19.670 -0.332 -3.285 182 HZ3 LYS 19 HZ3 LYS 19 19.270 -1.559 -2.195 183 H ARG 20 HN ARG 20 15.047 3.228 0.975 184 HA ARG 20 HA ARG 20 16.940 5.162 1.987 185 HB2 ARG 20 HB2 ARG 20 14.657 5.450 0.029 186 HB3 ARG 20 HB1 ARG 20 15.825 6.706 0.391 187 HG2 ARG 20 HG2 ARG 20 17.615 5.288 -0.482 188 HG3 ARG 20 HG1 ARG 20 16.426 4.041 -0.868 189 HD2 ARG 20 HD2 ARG 20 15.290 5.583 -2.379 190 HD3 ARG 20 HD1 ARG 20 16.454 6.843 -1.978 191 HE ARG 20 HE ARG 20 17.887 4.644 -2.904 192 HH11 ARG 20 HH11 ARG 20 15.556 6.948 -4.125 193 HH12 ARG 20 HH12 ARG 20 16.140 6.871 -5.756 194 HH21 ARG 20 HH21 ARG 20 18.653 4.537 -5.061 195 HH22 ARG 20 HH22 ARG 20 17.909 5.516 -6.285 196 HA PRO 21 HA PRO 21 14.199 6.923 4.974 197 HB2 PRO 21 HB2 PRO 21 15.181 9.430 5.166 198 HB3 PRO 21 HB1 PRO 21 16.054 8.022 5.775 199 HG2 PRO 21 HG2 PRO 21 16.498 9.604 3.295 200 HG3 PRO 21 HG1 PRO 21 17.674 8.796 4.341 201 HD2 PRO 21 HD2 PRO 21 16.715 7.822 1.919 202 HD3 PRO 21 HD1 PRO 21 17.524 6.858 3.164 203 H SER 22 HN SER 22 12.287 6.814 3.698 204 HA SER 22 HA SER 22 11.592 9.158 2.116 205 HB2 SER 22 HB2 SER 22 11.114 6.780 1.346 206 HB3 SER 22 HB1 SER 22 9.897 6.701 2.618 207 HG SER 22 HG SER 22 8.768 8.355 1.613 Start of MODEL 17 1 H1 LEU 1 HT1 LEU 1 -13.459 8.026 2.727 2 H2 LEU 1 HT2 LEU 1 -12.305 6.968 2.093 3 H3 LEU 1 HT3 LEU 1 -13.519 6.380 3.111 4 HA LEU 1 HA LEU 1 -15.199 6.976 1.483 5 HB2 LEU 1 HB2 LEU 1 -12.793 7.643 -0.215 6 HB3 LEU 1 HB1 LEU 1 -14.442 7.542 -0.802 7 HG LEU 1 HG LEU 1 -13.387 9.551 1.190 8 HD11 LEU 1 HD11 LEU 1 -13.813 11.169 -0.582 9 HD12 LEU 1 HD12 LEU 1 -14.313 9.865 -1.660 10 HD13 LEU 1 HD13 LEU 1 -12.644 9.952 -1.096 11 HD21 LEU 1 HD21 LEU 1 -16.146 9.194 0.026 12 HD22 LEU 1 HD22 LEU 1 -15.612 10.590 0.960 13 HD23 LEU 1 HD23 LEU 1 -15.679 8.999 1.716 14 H ARG 2 HN ARG 2 -15.386 4.788 2.032 15 HA ARG 2 HA ARG 2 -15.528 2.571 1.567 16 HB2 ARG 2 HB2 ARG 2 -15.677 3.397 -0.835 17 HB3 ARG 2 HB1 ARG 2 -13.958 3.051 -0.947 18 HG2 ARG 2 HG2 ARG 2 -15.223 1.219 -1.867 19 HG3 ARG 2 HG1 ARG 2 -14.401 0.709 -0.388 20 HD2 ARG 2 HD2 ARG 2 -16.751 -0.098 -0.581 21 HD3 ARG 2 HD1 ARG 2 -16.429 0.848 0.870 22 HE ARG 2 HE ARG 2 -17.460 2.398 -1.327 23 HH11 ARG 2 HH11 ARG 2 -18.308 0.405 1.422 24 HH12 ARG 2 HH12 ARG 2 -19.872 1.124 1.626 25 HH21 ARG 2 HH21 ARG 2 -19.513 3.366 -1.050 26 HH22 ARG 2 HH22 ARG 2 -20.554 2.810 0.223 27 H LEU 3 HN LEU 3 -14.396 1.106 2.608 28 HA LEU 3 HA LEU 3 -11.782 1.569 3.430 29 HB2 LEU 3 HB2 LEU 3 -11.804 -0.850 4.137 30 HB3 LEU 3 HB1 LEU 3 -13.049 0.179 4.833 31 HG LEU 3 HG LEU 3 -14.484 -0.793 2.839 32 HD11 LEU 3 HD11 LEU 3 -12.418 -2.951 3.257 33 HD12 LEU 3 HD12 LEU 3 -12.613 -1.985 1.795 34 HD13 LEU 3 HD13 LEU 3 -13.892 -3.084 2.299 35 HD21 LEU 3 HD21 LEU 3 -13.759 -2.308 5.332 36 HD22 LEU 3 HD22 LEU 3 -15.174 -2.633 4.328 37 HD23 LEU 3 HD23 LEU 3 -15.020 -1.088 5.164 38 H ILE 4 HN ILE 4 -12.983 -0.020 0.643 39 HA ILE 4 HA ILE 4 -10.854 -1.646 -0.002 40 HB ILE 4 HB ILE 4 -12.625 -0.082 -1.893 41 HG12 ILE 4 HG12 ILE 4 -13.856 -1.583 -0.380 42 HG13 ILE 4 HG11 ILE 4 -13.935 -2.132 -2.047 43 HG21 ILE 4 HG21 ILE 4 -12.018 -1.731 -3.589 44 HG22 ILE 4 HG22 ILE 4 -10.892 -2.482 -2.460 45 HG23 ILE 4 HG23 ILE 4 -10.607 -0.837 -3.025 46 HD11 ILE 4 HD11 ILE 4 -13.626 -3.997 -0.550 47 HD12 ILE 4 HD12 ILE 4 -12.167 -3.257 0.108 48 HD13 ILE 4 HD13 ILE 4 -12.203 -3.794 -1.572 49 H HIS 5 HN HIS 5 -11.328 1.800 -0.586 50 HA HIS 5 HA HIS 5 -8.978 2.168 -2.150 51 HB2 HIS 5 HB2 HIS 5 -10.722 4.106 -0.625 52 HB3 HIS 5 HB1 HIS 5 -9.329 4.614 -1.568 53 HD1 HIS 5 HD1 HIS 5 -10.104 5.579 -3.688 54 HD2 HIS 5 HD2 HIS 5 -12.424 2.324 -2.551 55 HE1 HIS 5 HE1 HIS 5 -11.800 5.289 -5.514 56 HE2 HIS 5 HE2 HIS 5 -13.094 3.223 -4.881 57 H ALA 6 HN ALA 6 -9.739 2.320 1.250 58 HA ALA 6 HA ALA 6 -7.324 3.537 2.105 59 HB1 ALA 6 HB1 ALA 6 -9.255 1.821 3.663 60 HB2 ALA 6 HB2 ALA 6 -9.380 3.566 3.443 61 HB3 ALA 6 HB3 ALA 6 -8.025 2.886 4.343 62 H VAL 7 HN VAL 7 -8.458 0.152 2.115 63 HA VAL 7 HA VAL 7 -6.084 -0.835 3.299 64 HB VAL 7 HB VAL 7 -8.167 -2.059 3.503 65 HG11 VAL 7 HG11 VAL 7 -9.071 -3.342 1.604 66 HG12 VAL 7 HG12 VAL 7 -7.936 -2.515 0.537 67 HG13 VAL 7 HG13 VAL 7 -9.186 -1.596 1.379 68 HG21 VAL 7 HG21 VAL 7 -6.101 -3.307 3.736 69 HG22 VAL 7 HG22 VAL 7 -6.071 -3.621 2.001 70 HG23 VAL 7 HG23 VAL 7 -7.348 -4.311 3.001 71 H ARG 8 HN ARG 8 -7.099 -0.460 -0.067 72 HA ARG 8 HA ARG 8 -5.068 -1.903 -1.295 73 HB2 ARG 8 HB2 ARG 8 -6.925 0.220 -2.076 74 HB3 ARG 8 HB1 ARG 8 -5.418 0.230 -2.981 75 HG2 ARG 8 HG2 ARG 8 -7.102 -1.083 -4.125 76 HG3 ARG 8 HG1 ARG 8 -5.761 -2.094 -3.595 77 HD2 ARG 8 HD2 ARG 8 -7.052 -2.881 -1.706 78 HD3 ARG 8 HD1 ARG 8 -8.387 -1.815 -2.148 79 HE ARG 8 HE ARG 8 -7.839 -3.427 -4.350 80 HH11 ARG 8 HH11 ARG 8 -8.983 -3.820 -1.064 81 HH12 ARG 8 HH12 ARG 8 -9.966 -5.198 -1.436 82 HH21 ARG 8 HH21 ARG 8 -9.117 -5.250 -4.834 83 HH22 ARG 8 HH22 ARG 8 -10.026 -6.028 -3.573 84 H GLY 9 HN GLY 9 -5.127 1.611 -0.738 85 HA2 GLY 9 HA2 GLY 9 -2.473 2.105 -1.441 86 HA3 GLY 9 HA1 GLY 9 -3.431 3.116 -0.370 87 H TYR 10 HN TYR 10 -3.818 0.826 1.475 88 HA TYR 10 HA TYR 10 -1.696 1.288 3.241 89 HB2 TYR 10 HB2 TYR 10 -3.747 0.614 4.185 90 HB3 TYR 10 HB1 TYR 10 -3.875 -0.784 3.126 91 HD1 TYR 10 HD1 TYR 10 -3.258 -2.871 3.904 92 HD2 TYR 10 HD2 TYR 10 -1.771 0.589 5.884 93 HE1 TYR 10 HE1 TYR 10 -2.264 -4.298 5.641 94 HE2 TYR 10 HE2 TYR 10 -0.773 -0.827 7.628 95 HH TYR 10 HH TYR 10 -0.455 -4.194 7.298 96 H TRP 11 HN TRP 11 -2.419 -1.715 1.377 97 HA TRP 11 HA TRP 11 0.115 -2.790 2.205 98 HB2 TRP 11 HB2 TRP 11 -0.454 -4.785 0.947 99 HB3 TRP 11 HB1 TRP 11 -1.805 -4.277 1.940 100 HD1 TRP 11 HD1 TRP 11 -4.014 -3.490 0.712 101 HE1 TRP 11 HE1 TRP 11 -4.878 -3.873 -1.679 102 HE3 TRP 11 HE3 TRP 11 0.353 -4.948 -1.494 103 HZ2 TRP 11 HZ2 TRP 11 -3.842 -4.695 -4.176 104 HZ3 TRP 11 HZ3 TRP 11 0.334 -5.524 -3.886 105 HH2 TRP 11 HH2 TRP 11 -1.722 -5.399 -5.200 106 H LEU 12 HN LEU 12 -1.112 -1.183 -0.618 107 HA LEU 12 HA LEU 12 0.883 -1.864 -2.453 108 HB2 LEU 12 HB2 LEU 12 -0.796 0.621 -2.177 109 HB3 LEU 12 HB1 LEU 12 0.261 0.322 -3.540 110 HG LEU 12 HG LEU 12 -1.996 -1.518 -2.755 111 HD11 LEU 12 HD11 LEU 12 -1.937 0.627 -4.884 112 HD12 LEU 12 HD12 LEU 12 -2.858 0.695 -3.382 113 HD13 LEU 12 HD13 LEU 12 -3.244 -0.521 -4.599 114 HD21 LEU 12 HD21 LEU 12 -1.680 -2.418 -4.995 115 HD22 LEU 12 HD22 LEU 12 -0.188 -2.536 -4.064 116 HD23 LEU 12 HD23 LEU 12 -0.368 -1.279 -5.287 117 H THR 13 HN THR 13 0.919 0.404 0.198 118 HA THR 13 HA THR 13 3.456 1.531 -0.688 119 HB THR 13 HB THR 13 3.246 2.890 1.448 120 HG1 THR 13 HG1 THR 13 0.516 2.168 1.433 121 HG21 THR 13 HG21 THR 13 1.535 4.368 0.500 122 HG22 THR 13 HG22 THR 13 1.033 3.080 -0.596 123 HG23 THR 13 HG23 THR 13 2.642 3.785 -0.743 124 H ASN 14 HN ASN 14 2.347 -0.986 1.340 125 HA ASN 14 HA ASN 14 4.618 -0.769 3.167 126 HB2 ASN 14 HB2 ASN 14 1.952 -2.016 3.264 127 HB3 ASN 14 HB1 ASN 14 3.227 -2.837 4.160 128 HD21 ASN 14 HD21 ASN 14 1.333 0.078 3.879 129 HD22 ASN 14 HD22 ASN 14 1.746 0.725 5.431 130 H LYS 15 HN LYS 15 3.357 -2.941 0.704 131 HA LYS 15 HA LYS 15 5.091 -5.120 1.385 132 HB2 LYS 15 HB2 LYS 15 3.657 -4.562 -1.217 133 HB3 LYS 15 HB1 LYS 15 4.349 -6.100 -0.724 134 HG2 LYS 15 HG2 LYS 15 2.065 -4.660 0.587 135 HG3 LYS 15 HG1 LYS 15 1.951 -6.110 -0.418 136 HD2 LYS 15 HD2 LYS 15 3.305 -7.345 1.217 137 HD3 LYS 15 HD1 LYS 15 3.405 -5.902 2.225 138 HE2 LYS 15 HE2 LYS 15 1.719 -7.358 3.115 139 HE3 LYS 15 HE1 LYS 15 0.936 -5.935 2.431 140 HZ1 LYS 15 HZ1 LYS 15 1.197 -8.539 1.036 141 HZ2 LYS 15 HZ2 LYS 15 0.328 -7.195 0.501 142 HZ3 LYS 15 HZ3 LYS 15 -0.180 -8.040 1.872 143 H VAL 16 HN VAL 16 5.532 -2.203 -0.059 144 HA VAL 16 HA VAL 16 7.482 -2.722 -2.034 145 HB VAL 16 HB VAL 16 7.260 -0.181 -0.439 146 HG11 VAL 16 HG11 VAL 16 7.795 0.868 -2.591 147 HG12 VAL 16 HG12 VAL 16 7.886 -0.727 -3.337 148 HG13 VAL 16 HG13 VAL 16 9.043 -0.271 -2.085 149 HG21 VAL 16 HG21 VAL 16 5.424 0.514 -1.885 150 HG22 VAL 16 HG22 VAL 16 4.984 -0.925 -0.954 151 HG23 VAL 16 HG23 VAL 16 5.425 -1.070 -2.659 152 HA PRO 17 HA PRO 17 10.943 -4.004 0.429 153 HB2 PRO 17 HB2 PRO 17 12.411 -2.435 -1.632 154 HB3 PRO 17 HB1 PRO 17 12.723 -4.066 -1.031 155 HG2 PRO 17 HG2 PRO 17 11.547 -3.708 -3.384 156 HG3 PRO 17 HG1 PRO 17 11.011 -5.000 -2.293 157 HD2 PRO 17 HD2 PRO 17 9.716 -2.396 -2.928 158 HD3 PRO 17 HD1 PRO 17 8.978 -3.959 -2.529 159 H ILE 18 HN ILE 18 12.350 -3.200 1.933 160 HA ILE 18 HA ILE 18 12.564 -0.321 2.273 161 HB ILE 18 HB ILE 18 11.756 -2.161 4.538 162 HG12 ILE 18 HG12 ILE 18 10.011 -0.248 2.973 163 HG13 ILE 18 HG11 ILE 18 9.918 -2.002 2.903 164 HG21 ILE 18 HG21 ILE 18 11.290 -0.046 5.712 165 HG22 ILE 18 HG22 ILE 18 11.892 0.844 4.315 166 HG23 ILE 18 HG23 ILE 18 12.980 -0.193 5.235 167 HD11 ILE 18 HD11 ILE 18 9.266 -2.061 5.252 168 HD12 ILE 18 HD12 ILE 18 8.159 -1.082 4.293 169 HD13 ILE 18 HD13 ILE 18 9.359 -0.303 5.322 170 H LYS 19 HN LYS 19 14.555 0.165 2.746 171 HA LYS 19 HA LYS 19 16.682 -1.595 2.896 172 HB2 LYS 19 HB2 LYS 19 18.027 0.320 3.664 173 HB3 LYS 19 HB1 LYS 19 16.984 0.740 2.314 174 HG2 LYS 19 HG2 LYS 19 15.387 1.746 3.910 175 HG3 LYS 19 HG1 LYS 19 16.529 1.405 5.213 176 HD2 LYS 19 HD2 LYS 19 18.199 2.813 4.131 177 HD3 LYS 19 HD1 LYS 19 17.086 3.127 2.799 178 HE2 LYS 19 HE2 LYS 19 15.510 4.138 4.428 179 HE3 LYS 19 HE1 LYS 19 16.728 3.926 5.684 180 HZ1 LYS 19 HZ1 LYS 19 17.088 5.535 3.216 181 HZ2 LYS 19 HZ2 LYS 19 18.207 5.376 4.476 182 HZ3 LYS 19 HZ3 LYS 19 16.735 6.166 4.745 183 H ARG 20 HN ARG 20 14.582 -0.539 5.439 184 HA ARG 20 HA ARG 20 16.228 -1.872 7.449 185 HB2 ARG 20 HB2 ARG 20 13.582 -0.430 7.702 186 HB3 ARG 20 HB1 ARG 20 14.480 -1.127 9.039 187 HG2 ARG 20 HG2 ARG 20 16.358 0.415 8.478 188 HG3 ARG 20 HG1 ARG 20 15.290 1.190 7.306 189 HD2 ARG 20 HD2 ARG 20 15.288 2.402 9.426 190 HD3 ARG 20 HD1 ARG 20 13.703 1.711 9.087 191 HE ARG 20 HE ARG 20 15.619 0.410 10.911 192 HH11 ARG 20 HH11 ARG 20 12.406 1.639 10.218 193 HH12 ARG 20 HH12 ARG 20 11.719 1.022 11.685 194 HH21 ARG 20 HH21 ARG 20 14.709 -0.403 12.838 195 HH22 ARG 20 HH22 ARG 20 13.025 -0.144 13.170 196 HA PRO 21 HA PRO 21 14.103 -5.760 6.802 197 HB2 PRO 21 HB2 PRO 21 14.726 -6.117 9.690 198 HB3 PRO 21 HB1 PRO 21 15.079 -7.181 8.324 199 HG2 PRO 21 HG2 PRO 21 17.008 -5.743 9.458 200 HG3 PRO 21 HG1 PRO 21 16.958 -5.969 7.700 201 HD2 PRO 21 HD2 PRO 21 16.190 -3.583 9.327 202 HD3 PRO 21 HD1 PRO 21 17.000 -3.660 7.750 203 H SER 22 HN SER 22 11.954 -5.408 6.617 204 HA SER 22 HA SER 22 10.412 -5.051 9.087 205 HB2 SER 22 HB2 SER 22 10.665 -2.887 7.772 206 HB3 SER 22 HB1 SER 22 9.739 -3.657 6.486 207 HG SER 22 HG SER 22 8.013 -3.899 7.964 Start of MODEL 18 1 H1 LEU 1 HT1 LEU 1 -12.880 8.400 2.230 2 H2 LEU 1 HT2 LEU 1 -12.365 6.927 1.591 3 H3 LEU 1 HT3 LEU 1 -13.033 6.984 3.139 4 HA LEU 1 HA LEU 1 -15.141 7.722 2.196 5 HB2 LEU 1 HB2 LEU 1 -13.756 7.087 -0.417 6 HB3 LEU 1 HB1 LEU 1 -15.477 7.333 -0.242 7 HG LEU 1 HG LEU 1 -14.685 9.345 -1.112 8 HD11 LEU 1 HD11 LEU 1 -16.177 9.679 0.784 9 HD12 LEU 1 HD12 LEU 1 -15.022 11.000 0.622 10 HD13 LEU 1 HD13 LEU 1 -14.785 9.772 1.863 11 HD21 LEU 1 HD21 LEU 1 -12.302 8.951 -0.813 12 HD22 LEU 1 HD22 LEU 1 -12.450 9.298 0.909 13 HD23 LEU 1 HD23 LEU 1 -12.752 10.568 -0.274 14 H ARG 2 HN ARG 2 -13.472 5.200 0.277 15 HA ARG 2 HA ARG 2 -15.144 3.222 1.690 16 HB2 ARG 2 HB2 ARG 2 -15.470 3.487 -0.813 17 HB3 ARG 2 HB1 ARG 2 -13.857 2.800 -0.977 18 HG2 ARG 2 HG2 ARG 2 -14.535 0.767 0.061 19 HG3 ARG 2 HG1 ARG 2 -16.108 1.443 0.478 20 HD2 ARG 2 HD2 ARG 2 -16.666 1.634 -1.858 21 HD3 ARG 2 HD1 ARG 2 -15.082 1.009 -2.320 22 HE ARG 2 HE ARG 2 -16.730 -0.686 -0.613 23 HH11 ARG 2 HH11 ARG 2 -15.552 -0.001 -3.844 24 HH12 ARG 2 HH12 ARG 2 -15.941 -1.577 -4.450 25 HH21 ARG 2 HH21 ARG 2 -17.232 -2.750 -1.405 26 HH22 ARG 2 HH22 ARG 2 -16.892 -3.146 -3.061 27 H LEU 3 HN LEU 3 -14.178 1.610 2.709 28 HA LEU 3 HA LEU 3 -11.524 1.774 3.453 29 HB2 LEU 3 HB2 LEU 3 -11.919 -0.691 4.159 30 HB3 LEU 3 HB1 LEU 3 -12.768 0.609 4.979 31 HG LEU 3 HG LEU 3 -14.692 0.110 3.330 32 HD11 LEU 3 HD11 LEU 3 -13.433 -1.305 1.796 33 HD12 LEU 3 HD12 LEU 3 -14.793 -2.173 2.505 34 HD13 LEU 3 HD13 LEU 3 -13.157 -2.469 3.091 35 HD21 LEU 3 HD21 LEU 3 -15.522 -1.687 4.772 36 HD22 LEU 3 HD22 LEU 3 -14.814 -0.357 5.688 37 HD23 LEU 3 HD23 LEU 3 -13.909 -1.853 5.463 38 H ILE 4 HN ILE 4 -12.906 0.139 0.750 39 HA ILE 4 HA ILE 4 -10.867 -1.647 0.180 40 HB ILE 4 HB ILE 4 -12.645 -0.132 -1.738 41 HG12 ILE 4 HG12 ILE 4 -13.841 -1.610 -0.197 42 HG13 ILE 4 HG11 ILE 4 -13.899 -2.242 -1.836 43 HG21 ILE 4 HG21 ILE 4 -10.883 -2.515 -2.295 44 HG22 ILE 4 HG22 ILE 4 -10.644 -0.879 -2.906 45 HG23 ILE 4 HG23 ILE 4 -12.051 -1.813 -3.415 46 HD11 ILE 4 HD11 ILE 4 -12.140 -3.213 0.399 47 HD12 ILE 4 HD12 ILE 4 -12.086 -3.808 -1.260 48 HD13 ILE 4 HD13 ILE 4 -13.539 -4.037 -0.287 49 H HIS 5 HN HIS 5 -11.188 1.771 -0.762 50 HA HIS 5 HA HIS 5 -8.727 1.854 -2.191 51 HB2 HIS 5 HB2 HIS 5 -10.540 3.984 -1.083 52 HB3 HIS 5 HB1 HIS 5 -8.991 4.395 -1.804 53 HD1 HIS 5 HD1 HIS 5 -9.270 5.119 -4.134 54 HD2 HIS 5 HD2 HIS 5 -12.026 2.182 -3.104 55 HE1 HIS 5 HE1 HIS 5 -10.661 4.748 -6.186 56 HE2 HIS 5 HE2 HIS 5 -12.220 2.863 -5.594 57 H ALA 6 HN ALA 6 -9.635 2.211 1.131 58 HA ALA 6 HA ALA 6 -7.246 3.450 2.028 59 HB1 ALA 6 HB1 ALA 6 -9.228 1.791 3.578 60 HB2 ALA 6 HB2 ALA 6 -9.321 3.533 3.318 61 HB3 ALA 6 HB3 ALA 6 -7.997 2.852 4.265 62 H VAL 7 HN VAL 7 -8.395 0.070 2.193 63 HA VAL 7 HA VAL 7 -5.999 -0.923 3.303 64 HB VAL 7 HB VAL 7 -8.030 -2.192 3.570 65 HG11 VAL 7 HG11 VAL 7 -9.158 -1.624 1.507 66 HG12 VAL 7 HG12 VAL 7 -9.081 -3.378 1.699 67 HG13 VAL 7 HG13 VAL 7 -7.983 -2.564 0.584 68 HG21 VAL 7 HG21 VAL 7 -6.055 -3.699 1.859 69 HG22 VAL 7 HG22 VAL 7 -7.255 -4.425 2.929 70 HG23 VAL 7 HG23 VAL 7 -5.947 -3.452 3.603 71 H ARG 8 HN ARG 8 -7.076 -0.571 -0.056 72 HA ARG 8 HA ARG 8 -5.007 -2.002 -1.273 73 HB2 ARG 8 HB2 ARG 8 -6.905 0.091 -2.123 74 HB3 ARG 8 HB1 ARG 8 -5.434 -0.034 -3.081 75 HG2 ARG 8 HG2 ARG 8 -7.247 -1.374 -4.019 76 HG3 ARG 8 HG1 ARG 8 -5.882 -2.370 -3.517 77 HD2 ARG 8 HD2 ARG 8 -7.051 -2.967 -1.467 78 HD3 ARG 8 HD1 ARG 8 -8.407 -1.940 -1.930 79 HE ARG 8 HE ARG 8 -8.042 -3.724 -4.005 80 HH11 ARG 8 HH11 ARG 8 -8.800 -3.904 -0.598 81 HH12 ARG 8 HH12 ARG 8 -9.734 -5.356 -0.745 82 HH21 ARG 8 HH21 ARG 8 -9.271 -5.629 -4.219 83 HH22 ARG 8 HH22 ARG 8 -10.015 -6.334 -2.820 84 H GLY 9 HN GLY 9 -5.204 1.526 -0.832 85 HA2 GLY 9 HA2 GLY 9 -2.580 2.144 -1.488 86 HA3 GLY 9 HA1 GLY 9 -3.570 3.077 -0.374 87 H TYR 10 HN TYR 10 -3.903 0.939 1.515 88 HA TYR 10 HA TYR 10 -1.724 1.271 3.197 89 HB2 TYR 10 HB2 TYR 10 -3.775 0.574 4.149 90 HB3 TYR 10 HB1 TYR 10 -3.899 -0.807 3.070 91 HD1 TYR 10 HD1 TYR 10 -3.126 -2.903 3.731 92 HD2 TYR 10 HD2 TYR 10 -1.918 0.541 5.917 93 HE1 TYR 10 HE1 TYR 10 -2.135 -4.351 5.447 94 HE2 TYR 10 HE2 TYR 10 -0.924 -0.898 7.642 95 HH TYR 10 HH TYR 10 -0.359 -4.189 7.196 96 H TRP 11 HN TRP 11 -2.514 -1.756 1.383 97 HA TRP 11 HA TRP 11 0.014 -2.836 2.148 98 HB2 TRP 11 HB2 TRP 11 -0.545 -4.801 0.861 99 HB3 TRP 11 HB1 TRP 11 -1.921 -4.292 1.817 100 HD1 TRP 11 HD1 TRP 11 -4.112 -3.609 0.558 101 HE1 TRP 11 HE1 TRP 11 -4.889 -3.900 -1.880 102 HE3 TRP 11 HE3 TRP 11 0.378 -4.752 -1.594 103 HZ2 TRP 11 HZ2 TRP 11 -3.747 -4.528 -4.383 104 HZ3 TRP 11 HZ3 TRP 11 0.451 -5.194 -4.014 105 HH2 TRP 11 HH2 TRP 11 -1.571 -5.083 -5.379 106 H LEU 12 HN LEU 12 -1.093 -1.030 -0.573 107 HA LEU 12 HA LEU 12 0.990 -1.679 -2.371 108 HB2 LEU 12 HB2 LEU 12 -0.758 0.757 -2.099 109 HB3 LEU 12 HB1 LEU 12 0.374 0.531 -3.413 110 HG LEU 12 HG LEU 12 -1.842 -1.424 -2.830 111 HD11 LEU 12 HD11 LEU 12 -3.096 -0.308 -4.614 112 HD12 LEU 12 HD12 LEU 12 -1.831 0.915 -4.743 113 HD13 LEU 12 HD13 LEU 12 -2.789 0.795 -3.270 114 HD21 LEU 12 HD21 LEU 12 -1.436 -2.100 -5.142 115 HD22 LEU 12 HD22 LEU 12 0.031 -2.250 -4.178 116 HD23 LEU 12 HD23 LEU 12 -0.161 -0.890 -5.286 117 H THR 13 HN THR 13 0.763 0.577 0.286 118 HA THR 13 HA THR 13 3.331 1.750 -0.417 119 HB THR 13 HB THR 13 2.947 3.182 1.595 120 HG1 THR 13 HG1 THR 13 0.314 2.126 1.645 121 HG21 THR 13 HG21 THR 13 1.074 4.451 0.611 122 HG22 THR 13 HG22 THR 13 0.701 3.070 -0.426 123 HG23 THR 13 HG23 THR 13 2.231 3.928 -0.614 124 H ASN 14 HN ASN 14 2.211 -0.902 1.187 125 HA ASN 14 HA ASN 14 4.286 -0.988 3.237 126 HB2 ASN 14 HB2 ASN 14 1.868 -2.620 2.584 127 HB3 ASN 14 HB1 ASN 14 3.114 -3.296 3.624 128 HD21 ASN 14 HD21 ASN 14 2.310 0.109 3.600 129 HD22 ASN 14 HD22 ASN 14 1.600 0.141 5.172 130 H LYS 15 HN LYS 15 3.081 -3.200 0.713 131 HA LYS 15 HA LYS 15 5.313 -4.947 0.950 132 HB2 LYS 15 HB2 LYS 15 3.326 -4.750 -1.318 133 HB3 LYS 15 HB1 LYS 15 4.345 -6.129 -0.935 134 HG2 LYS 15 HG2 LYS 15 2.118 -5.046 0.775 135 HG3 LYS 15 HG1 LYS 15 2.055 -6.503 -0.221 136 HD2 LYS 15 HD2 LYS 15 3.881 -7.471 1.120 137 HD3 LYS 15 HD1 LYS 15 3.879 -6.029 2.135 138 HE2 LYS 15 HE2 LYS 15 2.635 -7.775 3.232 139 HE3 LYS 15 HE1 LYS 15 1.531 -6.495 2.735 140 HZ1 LYS 15 HZ1 LYS 15 0.638 -8.693 2.265 141 HZ2 LYS 15 HZ2 LYS 15 1.967 -9.049 1.283 142 HZ3 LYS 15 HZ3 LYS 15 0.888 -7.830 0.835 143 H VAL 16 HN VAL 16 4.668 -2.133 -0.874 144 HA VAL 16 HA VAL 16 6.762 -2.727 -2.829 145 HB VAL 16 HB VAL 16 4.958 -0.332 -2.901 146 HG11 VAL 16 HG11 VAL 16 6.794 -0.386 -4.484 147 HG12 VAL 16 HG12 VAL 16 5.253 -0.562 -5.324 148 HG13 VAL 16 HG13 VAL 16 6.279 -1.972 -5.058 149 HG21 VAL 16 HG21 VAL 16 3.469 -2.199 -2.536 150 HG22 VAL 16 HG22 VAL 16 4.252 -3.112 -3.835 151 HG23 VAL 16 HG23 VAL 16 3.338 -1.650 -4.212 152 HA PRO 17 HA PRO 17 9.443 0.016 -0.473 153 HB2 PRO 17 HB2 PRO 17 11.128 -0.121 -2.862 154 HB3 PRO 17 HB1 PRO 17 11.504 -0.586 -1.205 155 HG2 PRO 17 HG2 PRO 17 11.145 -2.414 -3.149 156 HG3 PRO 17 HG1 PRO 17 10.681 -2.717 -1.466 157 HD2 PRO 17 HD2 PRO 17 8.968 -2.010 -3.809 158 HD3 PRO 17 HD1 PRO 17 8.639 -3.117 -2.460 159 H ILE 18 HN ILE 18 9.197 2.139 -0.408 160 HA ILE 18 HA ILE 18 8.305 3.532 -2.800 161 HB ILE 18 HB ILE 18 8.498 4.594 0.025 162 HG12 ILE 18 HG12 ILE 18 6.097 3.475 -1.445 163 HG13 ILE 18 HG11 ILE 18 6.971 2.646 -0.162 164 HG21 ILE 18 HG21 ILE 18 6.916 6.300 -0.786 165 HG22 ILE 18 HG22 ILE 18 7.038 5.620 -2.408 166 HG23 ILE 18 HG23 ILE 18 8.452 6.349 -1.651 167 HD11 ILE 18 HD11 ILE 18 5.453 5.228 0.112 168 HD12 ILE 18 HD12 ILE 18 6.338 4.414 1.402 169 HD13 ILE 18 HD13 ILE 18 4.930 3.641 0.674 170 H LYS 19 HN LYS 19 10.416 3.348 -3.795 171 HA LYS 19 HA LYS 19 12.640 4.751 -2.663 172 HB2 LYS 19 HB2 LYS 19 13.033 2.803 -4.042 173 HB3 LYS 19 HB1 LYS 19 12.164 3.529 -5.383 174 HG2 LYS 19 HG2 LYS 19 14.538 3.637 -5.770 175 HG3 LYS 19 HG1 LYS 19 13.875 5.257 -5.546 176 HD2 LYS 19 HD2 LYS 19 14.663 5.266 -3.230 177 HD3 LYS 19 HD1 LYS 19 15.310 3.637 -3.445 178 HE2 LYS 19 HE2 LYS 19 16.816 4.469 -5.182 179 HE3 LYS 19 HE1 LYS 19 16.171 6.094 -4.965 180 HZ1 LYS 19 HZ1 LYS 19 18.273 5.748 -3.788 181 HZ2 LYS 19 HZ2 LYS 19 17.559 4.528 -2.863 182 HZ3 LYS 19 HZ3 LYS 19 17.011 6.118 -2.727 183 H ARG 20 HN ARG 20 10.073 5.431 -4.923 184 HA ARG 20 HA ARG 20 11.272 7.926 -5.769 185 HB2 ARG 20 HB2 ARG 20 9.273 8.222 -7.132 186 HB3 ARG 20 HB1 ARG 20 9.949 6.620 -7.376 187 HG2 ARG 20 HG2 ARG 20 8.236 5.613 -6.062 188 HG3 ARG 20 HG1 ARG 20 7.648 7.188 -5.527 189 HD2 ARG 20 HD2 ARG 20 7.603 6.155 -8.360 190 HD3 ARG 20 HD1 ARG 20 6.219 6.234 -7.271 191 HE ARG 20 HE ARG 20 7.608 8.737 -7.806 192 HH11 ARG 20 HH11 ARG 20 4.881 6.659 -8.531 193 HH12 ARG 20 HH12 ARG 20 3.946 7.933 -9.246 194 HH21 ARG 20 HH21 ARG 20 6.381 10.410 -8.734 195 HH22 ARG 20 HH22 ARG 20 4.799 10.071 -9.366 196 HA PRO 21 HA PRO 21 9.484 10.384 -2.480 197 HB2 PRO 21 HB2 PRO 21 9.651 12.566 -4.472 198 HB3 PRO 21 HB1 PRO 21 10.357 12.465 -2.857 199 HG2 PRO 21 HG2 PRO 21 11.870 12.249 -5.055 200 HG3 PRO 21 HG1 PRO 21 12.213 11.304 -3.595 201 HD2 PRO 21 HD2 PRO 21 10.912 10.447 -6.146 202 HD3 PRO 21 HD1 PRO 21 12.052 9.569 -5.106 203 H SER 22 HN SER 22 7.382 9.872 -2.259 204 HA SER 22 HA SER 22 5.536 10.485 -4.438 205 HB2 SER 22 HB2 SER 22 5.054 8.854 -1.935 206 HB3 SER 22 HB1 SER 22 3.997 8.963 -3.344 207 HG SER 22 HG SER 22 6.677 8.111 -3.610 Start of MODEL 19 1 H1 LEU 1 HT1 LEU 1 -11.575 8.983 2.935 2 H2 LEU 1 HT2 LEU 1 -11.021 7.454 3.394 3 H3 LEU 1 HT3 LEU 1 -12.565 7.966 3.851 4 HA LEU 1 HA LEU 1 -13.290 7.994 1.576 5 HB2 LEU 1 HB2 LEU 1 -10.916 8.488 0.771 6 HB3 LEU 1 HB1 LEU 1 -10.619 6.768 0.907 7 HG LEU 1 HG LEU 1 -12.364 6.328 -0.762 8 HD11 LEU 1 HD11 LEU 1 -13.308 8.209 -2.042 9 HD12 LEU 1 HD12 LEU 1 -12.579 9.331 -0.892 10 HD13 LEU 1 HD13 LEU 1 -13.826 8.207 -0.358 11 HD21 LEU 1 HD21 LEU 1 -10.058 6.612 -1.481 12 HD22 LEU 1 HD22 LEU 1 -10.313 8.350 -1.643 13 HD23 LEU 1 HD23 LEU 1 -11.179 7.230 -2.695 14 H ARG 2 HN ARG 2 -13.640 5.846 0.260 15 HA ARG 2 HA ARG 2 -14.659 3.852 1.858 16 HB2 ARG 2 HB2 ARG 2 -14.890 4.213 -0.679 17 HB3 ARG 2 HB1 ARG 2 -13.417 3.269 -0.815 18 HG2 ARG 2 HG2 ARG 2 -15.059 1.689 -1.150 19 HG3 ARG 2 HG1 ARG 2 -14.697 1.505 0.566 20 HD2 ARG 2 HD2 ARG 2 -16.941 3.208 -0.497 21 HD3 ARG 2 HD1 ARG 2 -17.138 1.525 -0.025 22 HE ARG 2 HE ARG 2 -16.366 2.280 2.243 23 HH11 ARG 2 HH11 ARG 2 -17.892 4.524 0.021 24 HH12 ARG 2 HH12 ARG 2 -18.592 5.489 1.281 25 HH21 ARG 2 HH21 ARG 2 -17.292 3.546 3.897 26 HH22 ARG 2 HH22 ARG 2 -18.244 4.935 3.486 27 H LEU 3 HN LEU 3 -13.909 2.036 2.796 28 HA LEU 3 HA LEU 3 -11.232 1.875 3.526 29 HB2 LEU 3 HB2 LEU 3 -11.872 -0.501 4.244 30 HB3 LEU 3 HB1 LEU 3 -12.646 0.860 5.040 31 HG LEU 3 HG LEU 3 -14.544 0.452 3.291 32 HD11 LEU 3 HD11 LEU 3 -14.778 -1.872 2.621 33 HD12 LEU 3 HD12 LEU 3 -13.206 -2.247 3.325 34 HD13 LEU 3 HD13 LEU 3 -13.315 -1.167 1.935 35 HD21 LEU 3 HD21 LEU 3 -14.010 -1.396 5.598 36 HD22 LEU 3 HD22 LEU 3 -15.573 -1.175 4.815 37 HD23 LEU 3 HD23 LEU 3 -14.815 0.170 5.666 38 H ILE 4 HN ILE 4 -12.889 0.484 0.825 39 HA ILE 4 HA ILE 4 -11.087 -1.532 0.185 40 HB ILE 4 HB ILE 4 -12.757 0.189 -1.654 41 HG12 ILE 4 HG12 ILE 4 -14.045 -1.174 -0.076 42 HG13 ILE 4 HG11 ILE 4 -14.243 -1.761 -1.720 43 HG21 ILE 4 HG21 ILE 4 -11.274 -2.357 -2.296 44 HG22 ILE 4 HG22 ILE 4 -10.898 -0.746 -2.908 45 HG23 ILE 4 HG23 ILE 4 -12.410 -1.531 -3.363 46 HD11 ILE 4 HD11 ILE 4 -12.593 -3.531 -1.247 47 HD12 ILE 4 HD12 ILE 4 -14.023 -3.620 -0.221 48 HD13 ILE 4 HD13 ILE 4 -12.516 -2.971 0.423 49 H HIS 5 HN HIS 5 -11.097 1.898 -0.726 50 HA HIS 5 HA HIS 5 -8.647 1.766 -2.177 51 HB2 HIS 5 HB2 HIS 5 -10.258 4.043 -1.044 52 HB3 HIS 5 HB1 HIS 5 -8.681 4.319 -1.771 53 HD1 HIS 5 HD1 HIS 5 -8.923 5.100 -4.089 54 HD2 HIS 5 HD2 HIS 5 -11.890 2.369 -3.073 55 HE1 HIS 5 HE1 HIS 5 -10.348 4.851 -6.140 56 HE2 HIS 5 HE2 HIS 5 -12.211 3.301 -5.461 57 H ALA 6 HN ALA 6 -9.524 2.278 1.156 58 HA ALA 6 HA ALA 6 -7.050 3.313 2.046 59 HB1 ALA 6 HB1 ALA 6 -9.119 1.805 3.635 60 HB2 ALA 6 HB2 ALA 6 -9.146 3.538 3.312 61 HB3 ALA 6 HB3 ALA 6 -7.849 2.843 4.283 62 H VAL 7 HN VAL 7 -8.375 -0.004 2.018 63 HA VAL 7 HA VAL 7 -6.052 -1.140 3.202 64 HB VAL 7 HB VAL 7 -8.076 -2.388 3.417 65 HG11 VAL 7 HG11 VAL 7 -9.269 -1.632 1.465 66 HG12 VAL 7 HG12 VAL 7 -9.221 -3.396 1.486 67 HG13 VAL 7 HG13 VAL 7 -8.149 -2.497 0.413 68 HG21 VAL 7 HG21 VAL 7 -7.415 -4.583 2.593 69 HG22 VAL 7 HG22 VAL 7 -6.022 -3.708 3.233 70 HG23 VAL 7 HG23 VAL 7 -6.262 -3.831 1.488 71 H ARG 8 HN ARG 8 -7.096 -0.692 -0.153 72 HA ARG 8 HA ARG 8 -5.001 -2.102 -1.365 73 HB2 ARG 8 HB2 ARG 8 -6.892 0.019 -2.219 74 HB3 ARG 8 HB1 ARG 8 -5.451 -0.206 -3.200 75 HG2 ARG 8 HG2 ARG 8 -7.440 -1.471 -3.987 76 HG3 ARG 8 HG1 ARG 8 -6.022 -2.466 -3.661 77 HD2 ARG 8 HD2 ARG 8 -6.941 -3.199 -1.572 78 HD3 ARG 8 HD1 ARG 8 -8.289 -2.075 -1.716 79 HE ARG 8 HE ARG 8 -8.402 -3.685 -3.952 80 HH11 ARG 8 HH11 ARG 8 -8.491 -4.172 -0.490 81 HH12 ARG 8 HH12 ARG 8 -9.547 -5.542 -0.576 82 HH21 ARG 8 HH21 ARG 8 -9.802 -5.496 -4.068 83 HH22 ARG 8 HH22 ARG 8 -10.293 -6.289 -2.606 84 H GLY 9 HN GLY 9 -5.278 1.390 -0.756 85 HA2 GLY 9 HA2 GLY 9 -2.668 2.081 -1.470 86 HA3 GLY 9 HA1 GLY 9 -3.673 2.977 -0.337 87 H TYR 10 HN TYR 10 -3.969 0.800 1.518 88 HA TYR 10 HA TYR 10 -1.817 1.116 3.221 89 HB2 TYR 10 HB2 TYR 10 -3.813 0.294 4.157 90 HB3 TYR 10 HB1 TYR 10 -3.933 -1.010 2.988 91 HD1 TYR 10 HD1 TYR 10 -1.745 0.179 5.774 92 HD2 TYR 10 HD2 TYR 10 -3.314 -3.135 3.615 93 HE1 TYR 10 HE1 TYR 10 -0.686 -1.357 7.375 94 HE2 TYR 10 HE2 TYR 10 -2.256 -4.682 5.208 95 HH TYR 10 HH TYR 10 -1.042 -3.709 8.176 96 H TRP 11 HN TRP 11 -2.487 -1.911 1.371 97 HA TRP 11 HA TRP 11 0.072 -2.901 2.094 98 HB2 TRP 11 HB2 TRP 11 -0.396 -4.830 0.725 99 HB3 TRP 11 HB1 TRP 11 -1.813 -4.404 1.659 100 HD1 TRP 11 HD1 TRP 11 -3.978 -3.620 0.340 101 HE1 TRP 11 HE1 TRP 11 -4.678 -3.899 -2.120 102 HE3 TRP 11 HE3 TRP 11 0.561 -4.834 -1.658 103 HZ2 TRP 11 HZ2 TRP 11 -3.458 -4.547 -4.585 104 HZ3 TRP 11 HZ3 TRP 11 0.711 -5.278 -4.074 105 HH2 TRP 11 HH2 TRP 11 -1.260 -5.137 -5.506 106 H LEU 12 HN LEU 12 -1.118 -1.180 -0.698 107 HA LEU 12 HA LEU 12 1.024 -1.647 -2.435 108 HB2 LEU 12 HB2 LEU 12 -0.869 0.671 -2.160 109 HB3 LEU 12 HB1 LEU 12 0.322 0.572 -3.439 110 HG LEU 12 HG LEU 12 -1.784 -1.534 -2.977 111 HD11 LEU 12 HD11 LEU 12 -2.992 -0.529 -4.847 112 HD12 LEU 12 HD12 LEU 12 -1.808 0.776 -4.923 113 HD13 LEU 12 HD13 LEU 12 -2.846 0.609 -3.507 114 HD21 LEU 12 HD21 LEU 12 -1.218 -2.181 -5.275 115 HD22 LEU 12 HD22 LEU 12 0.179 -2.292 -4.206 116 HD23 LEU 12 HD23 LEU 12 0.025 -0.933 -5.318 117 H THR 13 HN THR 13 0.679 0.626 0.227 118 HA THR 13 HA THR 13 3.231 1.881 -0.414 119 HB THR 13 HB THR 13 2.791 3.232 1.659 120 HG1 THR 13 HG1 THR 13 0.173 2.123 1.567 121 HG21 THR 13 HG21 THR 13 0.592 3.224 -0.405 122 HG22 THR 13 HG22 THR 13 2.145 4.046 -0.556 123 HG23 THR 13 HG23 THR 13 0.992 4.558 0.676 124 H ASN 14 HN ASN 14 2.241 -0.858 1.166 125 HA ASN 14 HA ASN 14 4.172 -0.643 3.359 126 HB2 ASN 14 HB2 ASN 14 1.656 -2.068 2.914 127 HB3 ASN 14 HB1 ASN 14 2.863 -2.957 3.838 128 HD21 ASN 14 HD21 ASN 14 0.943 -0.034 3.707 129 HD22 ASN 14 HD22 ASN 14 1.063 0.350 5.391 130 H LYS 15 HN LYS 15 3.379 -2.699 0.595 131 HA LYS 15 HA LYS 15 5.268 -4.730 1.110 132 HB2 LYS 15 HB2 LYS 15 4.348 -3.754 -1.600 133 HB3 LYS 15 HB1 LYS 15 5.049 -5.321 -1.235 134 HG2 LYS 15 HG2 LYS 15 2.397 -4.301 -0.250 135 HG3 LYS 15 HG1 LYS 15 2.645 -5.471 -1.545 136 HD2 LYS 15 HD2 LYS 15 3.511 -5.874 1.317 137 HD3 LYS 15 HD1 LYS 15 2.008 -6.492 0.632 138 HE2 LYS 15 HE2 LYS 15 3.318 -7.771 -1.017 139 HE3 LYS 15 HE1 LYS 15 4.802 -7.185 -0.266 140 HZ1 LYS 15 HZ1 LYS 15 2.729 -8.848 1.055 141 HZ2 LYS 15 HZ2 LYS 15 4.136 -8.269 1.791 142 HZ3 LYS 15 HZ3 LYS 15 4.243 -9.383 0.528 143 H VAL 16 HN VAL 16 5.585 -1.523 0.190 144 HA VAL 16 HA VAL 16 8.144 -1.739 -1.141 145 HB VAL 16 HB VAL 16 7.052 0.856 -0.168 146 HG11 VAL 16 HG11 VAL 16 8.310 -0.008 -2.766 147 HG12 VAL 16 HG12 VAL 16 9.122 0.813 -1.434 148 HG13 VAL 16 HG13 VAL 16 7.857 1.643 -2.340 149 HG21 VAL 16 HG21 VAL 16 5.494 0.985 -2.072 150 HG22 VAL 16 HG22 VAL 16 5.033 -0.257 -0.900 151 HG23 VAL 16 HG23 VAL 16 5.810 -0.715 -2.422 152 HA PRO 17 HA PRO 17 10.141 -1.418 2.900 153 HB2 PRO 17 HB2 PRO 17 12.688 -1.649 1.964 154 HB3 PRO 17 HB1 PRO 17 11.632 -3.036 2.247 155 HG2 PRO 17 HG2 PRO 17 12.315 -1.663 -0.311 156 HG3 PRO 17 HG1 PRO 17 12.090 -3.391 0.010 157 HD2 PRO 17 HD2 PRO 17 10.200 -1.812 -1.169 158 HD3 PRO 17 HD1 PRO 17 9.812 -3.259 -0.218 159 H ILE 18 HN ILE 18 10.240 0.559 3.752 160 HA ILE 18 HA ILE 18 11.340 2.749 2.151 161 HB ILE 18 HB ILE 18 9.852 2.942 4.780 162 HG12 ILE 18 HG12 ILE 18 8.802 3.327 1.965 163 HG13 ILE 18 HG11 ILE 18 8.445 1.947 2.998 164 HG21 ILE 18 HG21 ILE 18 9.547 5.299 4.123 165 HG22 ILE 18 HG22 ILE 18 10.545 5.016 2.698 166 HG23 ILE 18 HG23 ILE 18 11.249 4.872 4.307 167 HD11 ILE 18 HD11 ILE 18 7.329 3.421 4.588 168 HD12 ILE 18 HD12 ILE 18 6.612 3.541 2.980 169 HD13 ILE 18 HD13 ILE 18 7.695 4.807 3.561 170 H LYS 19 HN LYS 19 13.514 1.940 2.464 171 HA LYS 19 HA LYS 19 14.573 2.217 5.177 172 HB2 LYS 19 HB2 LYS 19 16.076 1.391 2.691 173 HB3 LYS 19 HB1 LYS 19 16.575 1.175 4.360 174 HG2 LYS 19 HG2 LYS 19 14.705 -0.383 4.700 175 HG3 LYS 19 HG1 LYS 19 14.265 -0.199 3.002 176 HD2 LYS 19 HD2 LYS 19 15.535 -2.206 3.190 177 HD3 LYS 19 HD1 LYS 19 16.571 -1.005 2.421 178 HE2 LYS 19 HE2 LYS 19 17.678 -0.572 4.540 179 HE3 LYS 19 HE1 LYS 19 16.610 -1.713 5.353 180 HZ1 LYS 19 HZ1 LYS 19 18.762 -2.695 4.856 181 HZ2 LYS 19 HZ2 LYS 19 18.550 -2.391 3.206 182 HZ3 LYS 19 HZ3 LYS 19 17.535 -3.486 4.000 183 H ARG 20 HN ARG 20 14.389 3.852 2.168 184 HA ARG 20 HA ARG 20 16.416 5.803 2.959 185 HB2 ARG 20 HB2 ARG 20 14.765 5.639 0.436 186 HB3 ARG 20 HB1 ARG 20 16.079 6.761 0.731 187 HG2 ARG 20 HG2 ARG 20 17.642 4.894 0.864 188 HG3 ARG 20 HG1 ARG 20 16.323 3.772 0.553 189 HD2 ARG 20 HD2 ARG 20 17.595 4.232 -1.480 190 HD3 ARG 20 HD1 ARG 20 15.933 4.801 -1.615 191 HE ARG 20 HE ARG 20 17.780 6.824 -0.739 192 HH11 ARG 20 HH11 ARG 20 16.400 5.220 -3.521 193 HH12 ARG 20 HH12 ARG 20 16.688 6.552 -4.595 194 HH21 ARG 20 HH21 ARG 20 18.166 8.587 -2.152 195 HH22 ARG 20 HH22 ARG 20 17.677 8.472 -3.812 196 HA PRO 21 HA PRO 21 13.196 8.577 4.255 197 HB2 PRO 21 HB2 PRO 21 14.656 10.850 4.438 198 HB3 PRO 21 HB1 PRO 21 14.785 9.533 5.604 199 HG2 PRO 21 HG2 PRO 21 16.656 10.352 3.476 200 HG3 PRO 21 HG1 PRO 21 16.977 9.487 4.986 201 HD2 PRO 21 HD2 PRO 21 16.748 8.381 2.382 202 HD3 PRO 21 HD1 PRO 21 16.903 7.498 3.908 203 H SER 22 HN SER 22 11.642 9.329 2.999 204 HA SER 22 HA SER 22 10.494 10.394 1.368 205 HB2 SER 22 HB2 SER 22 11.794 12.362 2.223 206 HB3 SER 22 HB1 SER 22 12.998 12.052 0.976 207 HG SER 22 HG SER 22 10.247 12.612 0.517 Start of MODEL 20 1 H1 LEU 1 HT1 LEU 1 -14.627 8.526 -0.233 2 H2 LEU 1 HT2 LEU 1 -13.279 7.735 -0.865 3 H3 LEU 1 HT3 LEU 1 -13.103 9.251 -0.141 4 HA LEU 1 HA LEU 1 -12.319 7.575 1.344 5 HB2 LEU 1 HB2 LEU 1 -15.020 8.599 2.237 6 HB3 LEU 1 HB1 LEU 1 -13.749 8.011 3.287 7 HG LEU 1 HG LEU 1 -12.360 9.963 2.216 8 HD11 LEU 1 HD11 LEU 1 -13.728 11.908 1.684 9 HD12 LEU 1 HD12 LEU 1 -15.186 10.928 1.833 10 HD13 LEU 1 HD13 LEU 1 -14.023 10.589 0.552 11 HD21 LEU 1 HD21 LEU 1 -14.532 10.425 4.250 12 HD22 LEU 1 HD22 LEU 1 -13.102 11.432 4.018 13 HD23 LEU 1 HD23 LEU 1 -12.928 9.767 4.573 14 H ARG 2 HN ARG 2 -12.321 5.480 0.632 15 HA ARG 2 HA ARG 2 -14.613 3.879 1.504 16 HB2 ARG 2 HB2 ARG 2 -14.674 4.312 -1.019 17 HB3 ARG 2 HB1 ARG 2 -13.214 3.335 -1.100 18 HG2 ARG 2 HG2 ARG 2 -15.141 1.985 -1.638 19 HG3 ARG 2 HG1 ARG 2 -14.430 1.446 -0.115 20 HD2 ARG 2 HD2 ARG 2 -16.875 1.519 0.010 21 HD3 ARG 2 HD1 ARG 2 -16.138 2.663 1.127 22 HE ARG 2 HE ARG 2 -16.824 3.810 -1.417 23 HH11 ARG 2 HH11 ARG 2 -18.013 3.031 1.779 24 HH12 ARG 2 HH12 ARG 2 -19.268 4.228 1.741 25 HH21 ARG 2 HH21 ARG 2 -18.474 5.381 -1.475 26 HH22 ARG 2 HH22 ARG 2 -19.533 5.567 -0.112 27 H LEU 3 HN LEU 3 -14.022 2.052 2.494 28 HA LEU 3 HA LEU 3 -11.425 1.763 3.411 29 HB2 LEU 3 HB2 LEU 3 -12.215 -0.609 4.024 30 HB3 LEU 3 HB1 LEU 3 -12.957 0.774 4.811 31 HG LEU 3 HG LEU 3 -14.780 0.525 2.972 32 HD11 LEU 3 HD11 LEU 3 -13.594 -2.243 2.937 33 HD12 LEU 3 HD12 LEU 3 -13.553 -1.094 1.603 34 HD13 LEU 3 HD13 LEU 3 -15.095 -1.738 2.163 35 HD21 LEU 3 HD21 LEU 3 -15.966 -1.099 4.369 36 HD22 LEU 3 HD22 LEU 3 -15.157 0.142 5.326 37 HD23 LEU 3 HD23 LEU 3 -14.453 -1.470 5.195 38 H ILE 4 HN ILE 4 -12.914 0.428 0.590 39 HA ILE 4 HA ILE 4 -11.068 -1.583 0.056 40 HB ILE 4 HB ILE 4 -12.593 0.158 -1.889 41 HG12 ILE 4 HG12 ILE 4 -14.015 -1.186 -0.414 42 HG13 ILE 4 HG11 ILE 4 -14.097 -1.771 -2.069 43 HG21 ILE 4 HG21 ILE 4 -10.652 -0.807 -2.999 44 HG22 ILE 4 HG22 ILE 4 -12.141 -1.552 -3.579 45 HG23 ILE 4 HG23 ILE 4 -11.113 -2.413 -2.434 46 HD11 ILE 4 HD11 ILE 4 -12.526 -3.571 -1.483 47 HD12 ILE 4 HD12 ILE 4 -14.019 -3.627 -0.546 48 HD13 ILE 4 HD13 ILE 4 -12.540 -3.005 0.187 49 H HIS 5 HN HIS 5 -11.030 1.862 -0.785 50 HA HIS 5 HA HIS 5 -8.481 1.701 -2.089 51 HB2 HIS 5 HB2 HIS 5 -10.162 4.038 -1.181 52 HB3 HIS 5 HB1 HIS 5 -8.585 4.241 -1.934 53 HD1 HIS 5 HD1 HIS 5 -8.638 4.483 -4.388 54 HD2 HIS 5 HD2 HIS 5 -11.997 2.507 -2.959 55 HE1 HIS 5 HE1 HIS 5 -10.114 4.130 -6.384 56 HE2 HIS 5 HE2 HIS 5 -12.036 2.745 -5.532 57 H ALA 6 HN ALA 6 -9.627 2.215 1.135 58 HA ALA 6 HA ALA 6 -7.282 3.351 2.229 59 HB1 ALA 6 HB1 ALA 6 -8.203 2.740 4.390 60 HB2 ALA 6 HB2 ALA 6 -9.376 1.680 3.610 61 HB3 ALA 6 HB3 ALA 6 -9.461 3.425 3.360 62 H VAL 7 HN VAL 7 -8.463 -0.025 2.113 63 HA VAL 7 HA VAL 7 -6.097 -1.039 3.333 64 HB VAL 7 HB VAL 7 -8.141 -2.309 3.523 65 HG11 VAL 7 HG11 VAL 7 -7.996 -2.614 0.534 66 HG12 VAL 7 HG12 VAL 7 -9.222 -1.736 1.452 67 HG13 VAL 7 HG13 VAL 7 -9.101 -3.490 1.591 68 HG21 VAL 7 HG21 VAL 7 -6.043 -3.550 3.604 69 HG22 VAL 7 HG22 VAL 7 -6.109 -3.792 1.856 70 HG23 VAL 7 HG23 VAL 7 -7.330 -4.528 2.897 71 H ARG 8 HN ARG 8 -7.147 -0.657 -0.033 72 HA ARG 8 HA ARG 8 -5.038 -1.995 -1.265 73 HB2 ARG 8 HB2 ARG 8 -6.996 0.040 -2.065 74 HB3 ARG 8 HB1 ARG 8 -5.493 0.089 -2.977 75 HG2 ARG 8 HG2 ARG 8 -7.078 -1.298 -4.127 76 HG3 ARG 8 HG1 ARG 8 -5.768 -2.297 -3.503 77 HD2 ARG 8 HD2 ARG 8 -7.181 -2.928 -1.594 78 HD3 ARG 8 HD1 ARG 8 -8.499 -1.970 -2.271 79 HE ARG 8 HE ARG 8 -7.564 -3.853 -4.167 80 HH11 ARG 8 HH11 ARG 8 -9.469 -3.636 -1.235 81 HH12 ARG 8 HH12 ARG 8 -10.403 -5.050 -1.588 82 HH21 ARG 8 HH21 ARG 8 -8.779 -5.713 -4.627 83 HH22 ARG 8 HH22 ARG 8 -10.006 -6.238 -3.520 84 H GLY 9 HN GLY 9 -5.295 1.495 -0.602 85 HA2 GLY 9 HA2 GLY 9 -2.690 2.169 -1.352 86 HA3 GLY 9 HA1 GLY 9 -3.674 3.077 -0.214 87 H TYR 10 HN TYR 10 -3.898 0.757 1.589 88 HA TYR 10 HA TYR 10 -1.704 1.195 3.264 89 HB2 TYR 10 HB2 TYR 10 -3.617 0.375 4.335 90 HB3 TYR 10 HB1 TYR 10 -3.844 -0.912 3.157 91 HD1 TYR 10 HD1 TYR 10 -3.170 -3.063 3.667 92 HD2 TYR 10 HD2 TYR 10 -1.488 0.186 5.845 93 HE1 TYR 10 HE1 TYR 10 -2.018 -4.655 5.146 94 HE2 TYR 10 HE2 TYR 10 -0.335 -1.402 7.331 95 HH TYR 10 HH TYR 10 -0.649 -3.787 8.074 96 H TRP 11 HN TRP 11 -2.423 -1.818 1.416 97 HA TRP 11 HA TRP 11 0.156 -2.824 2.097 98 HB2 TRP 11 HB2 TRP 11 -0.386 -4.778 0.776 99 HB3 TRP 11 HB1 TRP 11 -1.746 -4.331 1.784 100 HD1 TRP 11 HD1 TRP 11 -3.977 -3.545 0.574 101 HE1 TRP 11 HE1 TRP 11 -4.817 -3.867 -1.834 102 HE3 TRP 11 HE3 TRP 11 0.429 -4.833 -1.653 103 HZ2 TRP 11 HZ2 TRP 11 -3.749 -4.573 -4.345 104 HZ3 TRP 11 HZ3 TRP 11 0.437 -5.325 -4.061 105 HH2 TRP 11 HH2 TRP 11 -1.612 -5.198 -5.381 106 H LEU 12 HN LEU 12 -1.157 -1.156 -0.660 107 HA LEU 12 HA LEU 12 0.837 -1.692 -2.529 108 HB2 LEU 12 HB2 LEU 12 -0.923 0.708 -2.108 109 HB3 LEU 12 HB1 LEU 12 0.166 0.566 -3.472 110 HG LEU 12 HG LEU 12 -1.999 -1.441 -2.855 111 HD11 LEU 12 HD11 LEU 12 -3.252 -0.383 -4.689 112 HD12 LEU 12 HD12 LEU 12 -2.026 0.881 -4.792 113 HD13 LEU 12 HD13 LEU 12 -3.010 0.723 -3.338 114 HD21 LEU 12 HD21 LEU 12 -1.617 -2.124 -5.187 115 HD22 LEU 12 HD22 LEU 12 -0.170 -2.314 -4.199 116 HD23 LEU 12 HD23 LEU 12 -0.306 -0.952 -5.310 117 H THR 13 HN THR 13 0.801 0.574 0.153 118 HA THR 13 HA THR 13 3.377 1.676 -0.653 119 HB THR 13 HB THR 13 3.106 3.050 1.460 120 HG1 THR 13 HG1 THR 13 0.382 2.295 1.375 121 HG21 THR 13 HG21 THR 13 0.940 3.237 -0.633 122 HG22 THR 13 HG22 THR 13 2.557 3.930 -0.754 123 HG23 THR 13 HG23 THR 13 1.430 4.530 0.461 124 H ASN 14 HN ASN 14 2.222 -0.879 1.252 125 HA ASN 14 HA ASN 14 4.406 -0.700 3.197 126 HB2 ASN 14 HB2 ASN 14 1.754 -1.989 3.129 127 HB3 ASN 14 HB1 ASN 14 3.000 -2.805 4.068 128 HD21 ASN 14 HD21 ASN 14 1.107 0.113 3.735 129 HD22 ASN 14 HD22 ASN 14 1.402 0.720 5.330 130 H LYS 15 HN LYS 15 3.309 -2.740 0.562 131 HA LYS 15 HA LYS 15 5.059 -4.929 1.161 132 HB2 LYS 15 HB2 LYS 15 3.859 -4.160 -1.504 133 HB3 LYS 15 HB1 LYS 15 4.519 -5.725 -1.067 134 HG2 LYS 15 HG2 LYS 15 2.110 -4.445 0.188 135 HG3 LYS 15 HG1 LYS 15 2.070 -5.691 -1.061 136 HD2 LYS 15 HD2 LYS 15 3.614 -6.246 1.417 137 HD3 LYS 15 HD1 LYS 15 1.856 -6.282 1.514 138 HE2 LYS 15 HE2 LYS 15 2.710 -8.498 1.064 139 HE3 LYS 15 HE1 LYS 15 1.801 -7.909 -0.323 140 HZ1 LYS 15 HZ1 LYS 15 3.854 -7.411 -1.447 141 HZ2 LYS 15 HZ2 LYS 15 3.863 -9.026 -0.952 142 HZ3 LYS 15 HZ3 LYS 15 4.761 -7.877 -0.097 143 H VAL 16 HN VAL 16 5.519 -1.871 0.043 144 HA VAL 16 HA VAL 16 7.623 -2.241 -1.838 145 HB VAL 16 HB VAL 16 7.150 0.264 -0.253 146 HG11 VAL 16 HG11 VAL 16 7.760 1.351 -2.370 147 HG12 VAL 16 HG12 VAL 16 7.992 -0.236 -3.104 148 HG13 VAL 16 HG13 VAL 16 9.031 0.281 -1.776 149 HG21 VAL 16 HG21 VAL 16 4.945 -0.557 -0.900 150 HG22 VAL 16 HG22 VAL 16 5.488 -0.699 -2.576 151 HG23 VAL 16 HG23 VAL 16 5.382 0.890 -1.818 152 HA PRO 17 HA PRO 17 10.859 -2.982 1.211 153 HB2 PRO 17 HB2 PRO 17 12.590 -2.250 -1.061 154 HB3 PRO 17 HB1 PRO 17 12.600 -3.713 -0.074 155 HG2 PRO 17 HG2 PRO 17 11.694 -3.739 -2.598 156 HG3 PRO 17 HG1 PRO 17 10.954 -4.737 -1.333 157 HD2 PRO 17 HD2 PRO 17 9.985 -2.186 -2.545 158 HD3 PRO 17 HD1 PRO 17 9.066 -3.610 -2.017 159 H ILE 18 HN ILE 18 12.015 -1.611 2.492 160 HA ILE 18 HA ILE 18 11.716 1.208 1.932 161 HB ILE 18 HB ILE 18 12.965 -0.112 4.352 162 HG12 ILE 18 HG12 ILE 18 10.165 0.972 3.964 163 HG13 ILE 18 HG11 ILE 18 10.589 -0.735 4.031 164 HG21 ILE 18 HG21 ILE 18 12.604 2.054 5.436 165 HG22 ILE 18 HG22 ILE 18 11.979 2.707 3.922 166 HG23 ILE 18 HG23 ILE 18 13.666 2.206 4.035 167 HD11 ILE 18 HD11 ILE 18 11.345 -0.454 6.334 168 HD12 ILE 18 HD12 ILE 18 9.661 0.030 6.137 169 HD13 ILE 18 HD13 ILE 18 10.921 1.258 6.263 170 H LYS 19 HN LYS 19 13.102 1.200 0.094 171 HA LYS 19 HA LYS 19 15.900 0.632 0.398 172 HB2 LYS 19 HB2 LYS 19 14.440 2.077 -1.818 173 HB3 LYS 19 HB1 LYS 19 16.106 1.525 -1.886 174 HG2 LYS 19 HG2 LYS 19 13.654 -0.206 -1.651 175 HG3 LYS 19 HG1 LYS 19 14.664 0.002 -3.083 176 HD2 LYS 19 HD2 LYS 19 15.556 -1.188 -0.454 177 HD3 LYS 19 HD1 LYS 19 15.158 -2.097 -1.909 178 HE2 LYS 19 HE2 LYS 19 17.366 -0.057 -1.683 179 HE3 LYS 19 HE1 LYS 19 17.585 -1.803 -1.604 180 HZ1 LYS 19 HZ1 LYS 19 18.043 -0.829 -3.809 181 HZ2 LYS 19 HZ2 LYS 19 16.418 -0.384 -3.933 182 HZ3 LYS 19 HZ3 LYS 19 16.843 -2.017 -3.840 183 H ARG 20 HN ARG 20 14.043 3.116 1.480 184 HA ARG 20 HA ARG 20 15.970 5.232 1.003 185 HB2 ARG 20 HB2 ARG 20 13.478 5.305 2.704 186 HB3 ARG 20 HB1 ARG 20 14.437 6.685 2.211 187 HG2 ARG 20 HG2 ARG 20 12.686 6.804 0.743 188 HG3 ARG 20 HG1 ARG 20 13.855 5.882 -0.200 189 HD2 ARG 20 HD2 ARG 20 11.682 4.862 -0.408 190 HD3 ARG 20 HD1 ARG 20 12.734 3.798 0.521 191 HE ARG 20 HE ARG 20 11.335 5.399 2.329 192 HH11 ARG 20 HH11 ARG 20 10.658 2.876 -0.017 193 HH12 ARG 20 HH12 ARG 20 9.240 2.315 0.815 194 HH21 ARG 20 HH21 ARG 20 9.485 4.645 3.426 195 HH22 ARG 20 HH22 ARG 20 8.577 3.318 2.773 196 HA PRO 21 HA PRO 21 18.262 4.105 4.687 197 HB2 PRO 21 HB2 PRO 21 19.443 6.783 4.369 198 HB3 PRO 21 HB1 PRO 21 20.231 5.205 4.362 199 HG2 PRO 21 HG2 PRO 21 19.936 6.681 2.124 200 HG3 PRO 21 HG1 PRO 21 19.918 4.910 2.108 201 HD2 PRO 21 HD2 PRO 21 17.641 6.829 1.898 202 HD3 PRO 21 HD1 PRO 21 17.882 5.255 1.114 203 H SER 22 HN SER 22 17.474 4.298 6.682 204 HA SER 22 HA SER 22 16.556 5.107 8.580 205 HB2 SER 22 HB2 SER 22 17.507 7.793 7.559 206 HB3 SER 22 HB1 SER 22 17.042 7.421 9.218 207 HG SER 22 HG SER 22 18.773 5.737 9.037
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