NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617339 | 5nce | 34113 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 15.211 -4.996 4.398 2 H2 ARG 1 HT2 ARG 1 15.419 -6.405 3.508 3 H3 ARG 1 HT3 ARG 1 15.811 -6.301 5.169 4 HA ARG 1 HA ARG 1 13.556 -7.378 4.678 5 HB2 ARG 1 HB2 ARG 1 13.914 -5.020 6.512 6 HB3 ARG 1 HB1 ARG 1 12.437 -5.965 6.491 7 HG2 ARG 1 HG2 ARG 1 13.602 -7.916 7.238 8 HG3 ARG 1 HG1 ARG 1 15.162 -7.111 7.046 9 HD2 ARG 1 HD2 ARG 1 14.643 -5.552 8.780 10 HD3 ARG 1 HD1 ARG 1 12.999 -6.146 8.903 11 HE ARG 1 HE ARG 1 13.801 -8.173 9.843 12 HH11 ARG 1 HH11 ARG 1 16.387 -5.764 9.496 13 HH12 ARG 1 HH12 ARG 1 17.321 -6.318 10.777 14 HH21 ARG 1 HH21 ARG 1 15.115 -9.001 11.656 15 HH22 ARG 1 HH22 ARG 1 16.582 -8.225 12.043 16 H MET 2 HN MET 2 11.409 -7.090 4.170 17 HA MET 2 HA MET 2 10.800 -4.700 2.572 18 HB2 MET 2 HB2 MET 2 9.572 -7.454 2.661 19 HB3 MET 2 HB1 MET 2 8.851 -6.096 1.811 20 HG2 MET 2 HG2 MET 2 10.799 -5.926 0.396 21 HG3 MET 2 HG1 MET 2 11.558 -7.256 1.267 22 HE1 MET 2 HE1 MET 2 8.978 -9.226 1.648 23 HE2 MET 2 HE2 MET 2 10.580 -9.787 1.173 24 HE3 MET 2 HE3 MET 2 9.167 -10.252 0.226 25 H CYS 3 HN CYS 3 10.071 -3.273 3.745 26 HA CYS 3 HA CYS 3 8.447 -3.855 6.058 27 HB2 CYS 3 HB2 CYS 3 9.736 -1.481 4.884 28 HB3 CYS 3 HB1 CYS 3 8.369 -1.190 5.973 29 H LYS 4 HN LYS 4 6.407 -4.284 5.782 30 HA LYS 4 HA LYS 4 4.978 -3.120 3.540 31 HB2 LYS 4 HB2 LYS 4 4.822 -5.593 4.137 32 HB3 LYS 4 HB1 LYS 4 3.987 -5.105 5.606 33 HG2 LYS 4 HG2 LYS 4 2.182 -4.139 4.284 34 HG3 LYS 4 HG1 LYS 4 3.069 -4.505 2.815 35 HD2 LYS 4 HD2 LYS 4 1.363 -6.142 3.084 36 HD3 LYS 4 HD1 LYS 4 2.924 -6.892 3.341 37 HE2 LYS 4 HE2 LYS 4 2.606 -6.794 5.772 38 HE3 LYS 4 HE1 LYS 4 1.040 -6.017 5.539 39 HZ1 LYS 4 HZ1 LYS 4 1.716 -8.757 4.565 40 HZ2 LYS 4 HZ2 LYS 4 0.216 -8.012 4.461 41 HZ3 LYS 4 HZ3 LYS 4 0.810 -8.418 5.947 42 H THR 5 HN THR 5 4.207 -1.209 3.911 43 HA THR 5 HA THR 5 3.426 -0.347 6.599 44 HB THR 5 HB THR 5 4.396 1.085 4.138 45 HG1 THR 5 HG1 THR 5 5.579 -0.135 6.072 46 HG21 THR 5 HG21 THR 5 3.670 2.269 6.841 47 HG22 THR 5 HG22 THR 5 2.838 2.523 5.288 48 HG23 THR 5 HG23 THR 5 4.474 3.117 5.506 49 HA PRO 6 HA PRO 6 -0.737 -0.238 4.844 50 HB2 PRO 6 HB2 PRO 6 -1.891 1.333 6.777 51 HB3 PRO 6 HB1 PRO 6 -1.644 -0.417 6.935 52 HG2 PRO 6 HG2 PRO 6 -0.082 1.805 8.113 53 HG3 PRO 6 HG1 PRO 6 -0.443 0.200 8.776 54 HD2 PRO 6 HD2 PRO 6 1.969 0.868 7.687 55 HD3 PRO 6 HD1 PRO 6 1.327 -0.786 7.722 56 H SER 7 HN SER 7 -1.317 0.973 3.229 57 HA SER 7 HA SER 7 -0.305 3.474 2.551 58 HB2 SER 7 HB2 SER 7 -2.244 3.494 0.931 59 HB3 SER 7 HB1 SER 7 -1.199 2.070 0.858 60 HG SER 7 HG SER 7 -2.670 0.873 1.619 61 H GLY 8 HN GLY 8 -0.976 5.541 2.825 62 HA2 GLY 8 HA2 GLY 8 -2.978 5.942 4.885 63 HA3 GLY 8 HA1 GLY 8 -1.782 7.102 4.333 64 H LYS 9 HN LYS 9 -2.483 6.782 1.386 65 HA LYS 9 HA LYS 9 -4.909 8.383 1.727 66 HB2 LYS 9 HB2 LYS 9 -4.409 9.572 -0.127 67 HB3 LYS 9 HB1 LYS 9 -3.094 9.687 1.031 68 HG2 LYS 9 HG2 LYS 9 -1.780 8.279 -0.265 69 HG3 LYS 9 HG1 LYS 9 -3.102 7.957 -1.391 70 HD2 LYS 9 HD2 LYS 9 -3.325 10.407 -1.456 71 HD3 LYS 9 HD1 LYS 9 -1.677 10.456 -0.812 72 HE2 LYS 9 HE2 LYS 9 -2.604 8.918 -3.115 73 HE3 LYS 9 HE1 LYS 9 -1.730 10.465 -3.332 74 HZ1 LYS 9 HZ1 LYS 9 -0.720 7.899 -2.162 75 HZ2 LYS 9 HZ2 LYS 9 0.151 9.327 -2.091 76 HZ3 LYS 9 HZ3 LYS 9 -0.172 8.601 -3.582 77 H PHE 10 HN PHE 10 -3.970 5.500 0.809 78 HA PHE 10 HA PHE 10 -5.620 5.164 -1.498 79 HB2 PHE 10 HB2 PHE 10 -3.683 3.648 -0.640 80 HB3 PHE 10 HB1 PHE 10 -4.961 3.010 0.405 81 HD1 PHE 10 HD1 PHE 10 -6.788 1.683 -0.494 82 HD2 PHE 10 HD2 PHE 10 -3.765 3.354 -2.869 83 HE1 PHE 10 HE1 PHE 10 -7.511 0.228 -2.342 84 HE2 PHE 10 HE2 PHE 10 -4.445 1.895 -4.803 85 HZ PHE 10 HZ PHE 10 -6.345 0.330 -4.505 86 H LYS 11 HN LYS 11 -7.531 5.105 -1.663 87 HA LYS 11 HA LYS 11 -9.245 4.205 0.528 88 HB2 LYS 11 HB2 LYS 11 -9.883 6.591 -1.250 89 HB3 LYS 11 HB1 LYS 11 -10.807 6.009 0.120 90 HG2 LYS 11 HG2 LYS 11 -8.139 7.389 0.194 91 HG3 LYS 11 HG1 LYS 11 -9.694 8.025 0.728 92 HD2 LYS 11 HD2 LYS 11 -9.708 5.990 2.320 93 HD3 LYS 11 HD1 LYS 11 -8.035 5.850 1.904 94 HE2 LYS 11 HE2 LYS 11 -9.175 8.397 2.955 95 HE3 LYS 11 HE1 LYS 11 -8.406 7.187 3.987 96 HZ1 LYS 11 HZ1 LYS 11 -7.067 8.485 1.671 97 HZ2 LYS 11 HZ2 LYS 11 -6.333 7.527 2.876 98 HZ3 LYS 11 HZ3 LYS 11 -6.925 9.038 3.259 99 H GLY 12 HN GLY 12 -9.882 2.285 -0.446 100 HA2 GLY 12 HA2 GLY 12 -11.834 1.987 -2.147 101 HA3 GLY 12 HA1 GLY 12 -10.529 2.351 -3.269 102 H TYR 13 HN TYR 13 -10.979 0.244 -4.108 103 HA TYR 13 HA TYR 13 -10.232 -1.979 -2.411 104 HB2 TYR 13 HB2 TYR 13 -11.938 -1.673 -4.756 105 HB3 TYR 13 HB1 TYR 13 -10.939 -3.122 -4.768 106 HD1 TYR 13 HD1 TYR 13 -11.109 -4.733 -2.999 107 HD2 TYR 13 HD2 TYR 13 -13.780 -1.450 -3.204 108 HE1 TYR 13 HE1 TYR 13 -12.569 -5.878 -1.466 109 HE2 TYR 13 HE2 TYR 13 -15.310 -2.596 -1.642 110 HH TYR 13 HH TYR 13 -15.792 -4.868 -0.858 111 H CYS 14 HN CYS 14 -8.273 -2.656 -2.385 112 HA CYS 14 HA CYS 14 -6.483 -2.139 -4.604 113 HB2 CYS 14 HB2 CYS 14 -5.853 -2.033 -2.099 114 HB3 CYS 14 HB1 CYS 14 -5.861 -3.787 -2.145 115 H VAL 15 HN VAL 15 -8.022 -3.494 -5.926 116 HA VAL 15 HA VAL 15 -7.718 -6.308 -5.632 117 HB VAL 15 HB VAL 15 -8.793 -6.502 -7.907 118 HG11 VAL 15 HG11 VAL 15 -10.995 -5.690 -7.167 119 HG12 VAL 15 HG12 VAL 15 -10.206 -4.775 -5.881 120 HG13 VAL 15 HG13 VAL 15 -10.132 -6.534 -5.881 121 HG21 VAL 15 HG21 VAL 15 -9.778 -4.483 -8.917 122 HG22 VAL 15 HG22 VAL 15 -8.017 -4.382 -8.883 123 HG23 VAL 15 HG23 VAL 15 -8.974 -3.485 -7.704 124 H ASN 16 HN ASN 16 -6.217 -3.902 -7.717 125 HA ASN 16 HA ASN 16 -4.328 -5.923 -8.700 126 HB2 ASN 16 HB2 ASN 16 -5.612 -4.507 -10.367 127 HB3 ASN 16 HB1 ASN 16 -4.849 -3.088 -9.678 128 HD21 ASN 16 HD21 ASN 16 -4.768 -3.947 -12.387 129 HD22 ASN 16 HD22 ASN 16 -3.125 -4.255 -12.802 130 H ASN 17 HN ASN 17 -2.130 -5.532 -8.362 131 HA ASN 17 HA ASN 17 -1.520 -4.033 -6.002 132 HB2 ASN 17 HB2 ASN 17 0.323 -5.470 -7.910 133 HB3 ASN 17 HB1 ASN 17 0.839 -4.718 -6.409 134 HD21 ASN 17 HD21 ASN 17 -0.592 -7.480 -7.877 135 HD22 ASN 17 HD22 ASN 17 -0.825 -8.371 -6.416 136 H THR 18 HN THR 18 -1.324 -3.469 -9.352 137 HA THR 18 HA THR 18 0.637 -1.486 -9.541 138 HB THR 18 HB THR 18 -1.874 -1.769 -11.212 139 HG1 THR 18 HG1 THR 18 -0.961 -3.712 -11.378 140 HG21 THR 18 HG21 THR 18 0.879 -0.693 -11.897 141 HG22 THR 18 HG22 THR 18 -0.572 0.285 -11.664 142 HG23 THR 18 HG23 THR 18 -0.483 -0.852 -13.010 143 H ASN 19 HN ASN 19 -2.909 -1.099 -8.721 144 HA ASN 19 HA ASN 19 -2.797 1.727 -8.793 145 HB2 ASN 19 HB2 ASN 19 -4.877 1.463 -7.247 146 HB3 ASN 19 HB1 ASN 19 -5.060 1.006 -8.950 147 HD21 ASN 19 HD21 ASN 19 -4.939 0.007 -5.653 148 HD22 ASN 19 HD22 ASN 19 -5.431 -1.626 -5.961 149 H CYS 20 HN CYS 20 -2.473 -0.685 -6.305 150 HA CYS 20 HA CYS 20 -2.252 0.901 -4.000 151 HB2 CYS 20 HB2 CYS 20 -2.169 -1.701 -4.358 152 HB3 CYS 20 HB1 CYS 20 -0.510 -1.421 -4.618 153 H LYS 21 HN LYS 21 -0.039 -0.336 -6.326 154 HA LYS 21 HA LYS 21 2.264 0.276 -5.342 155 HB2 LYS 21 HB2 LYS 21 1.359 -0.795 -7.638 156 HB3 LYS 21 HB1 LYS 21 1.967 0.757 -8.202 157 HG2 LYS 21 HG2 LYS 21 4.151 0.258 -7.599 158 HG3 LYS 21 HG1 LYS 21 3.638 -1.203 -6.729 159 HD2 LYS 21 HD2 LYS 21 2.842 -2.219 -8.735 160 HD3 LYS 21 HD1 LYS 21 3.114 -0.741 -9.653 161 HE2 LYS 21 HE2 LYS 21 4.807 -2.328 -10.124 162 HE3 LYS 21 HE1 LYS 21 5.440 -0.923 -9.243 163 HZ1 LYS 21 HZ1 LYS 21 4.823 -3.579 -8.024 164 HZ2 LYS 21 HZ2 LYS 21 5.507 -2.275 -7.199 165 HZ3 LYS 21 HZ3 LYS 21 6.374 -3.055 -8.414 166 H ASN 22 HN ASN 22 0.285 2.090 -7.669 167 HA ASN 22 HA ASN 22 1.961 4.329 -7.989 168 HB2 ASN 22 HB2 ASN 22 -0.989 4.038 -8.536 169 HB3 ASN 22 HB1 ASN 22 -0.040 5.444 -8.996 170 HD21 ASN 22 HD21 ASN 22 -1.457 3.612 -10.725 171 HD22 ASN 22 HD22 ASN 22 -0.278 2.933 -11.788 172 H VAL 23 HN VAL 23 -0.760 3.750 -5.842 173 HA VAL 23 HA VAL 23 -0.794 6.416 -4.821 174 HB VAL 23 HB VAL 23 -1.808 3.868 -3.521 175 HG11 VAL 23 HG11 VAL 23 -3.256 5.372 -2.204 176 HG12 VAL 23 HG12 VAL 23 -2.483 6.754 -2.973 177 HG13 VAL 23 HG13 VAL 23 -1.547 5.703 -1.921 178 HG21 VAL 23 HG21 VAL 23 -3.180 5.862 -5.309 179 HG22 VAL 23 HG22 VAL 23 -4.017 4.664 -4.340 180 HG23 VAL 23 HG23 VAL 23 -2.919 4.132 -5.629 181 H CYS 24 HN CYS 24 0.785 3.464 -3.738 182 HA CYS 24 HA CYS 24 2.008 4.650 -1.511 183 HB2 CYS 24 HB2 CYS 24 2.705 2.233 -3.166 184 HB3 CYS 24 HB1 CYS 24 3.562 2.633 -1.686 185 H ARG 25 HN ARG 25 3.004 4.312 -4.859 186 HA ARG 25 HA ARG 25 5.588 5.345 -4.566 187 HB2 ARG 25 HB2 ARG 25 3.779 5.300 -6.978 188 HB3 ARG 25 HB1 ARG 25 5.476 5.774 -7.039 189 HG2 ARG 25 HG2 ARG 25 6.219 3.620 -6.440 190 HG3 ARG 25 HG1 ARG 25 4.613 3.134 -5.904 191 HD2 ARG 25 HD2 ARG 25 4.947 2.062 -7.960 192 HD3 ARG 25 HD1 ARG 25 3.876 3.438 -8.269 193 HE ARG 25 HE ARG 25 6.688 3.776 -8.632 194 HH11 ARG 25 HH11 ARG 25 3.506 3.387 -10.247 195 HH12 ARG 25 HH12 ARG 25 4.061 3.783 -11.778 196 HH21 ARG 25 HH21 ARG 25 7.454 4.343 -10.828 197 HH22 ARG 25 HH22 ARG 25 6.373 4.343 -12.141 198 H THR 26 HN THR 26 2.495 6.893 -4.924 199 HA THR 26 HA THR 26 3.658 9.510 -5.161 200 HB THR 26 HB THR 26 1.139 10.127 -4.598 201 HG1 THR 26 HG1 THR 26 0.805 7.588 -5.699 202 HG21 THR 26 HG21 THR 26 2.258 10.598 -6.726 203 HG22 THR 26 HG22 THR 26 0.625 9.971 -6.998 204 HG23 THR 26 HG23 THR 26 2.028 8.916 -7.204 205 H GLU 27 HN GLU 27 2.312 7.609 -2.585 206 HA GLU 27 HA GLU 27 2.467 9.616 -0.573 207 HB2 GLU 27 HB2 GLU 27 2.454 6.601 -0.328 208 HB3 GLU 27 HB1 GLU 27 2.584 7.643 1.086 209 HG2 GLU 27 HG2 GLU 27 0.460 8.690 0.519 210 HG3 GLU 27 HG1 GLU 27 0.405 7.698 -0.935 211 H GLY 28 HN GLY 28 4.865 7.405 -1.781 212 HA2 GLY 28 HA2 GLY 28 7.131 8.596 -1.750 213 HA3 GLY 28 HA1 GLY 28 6.850 8.708 -0.016 214 H PHE 29 HN PHE 29 6.085 5.997 -2.103 215 HA PHE 29 HA PHE 29 8.090 4.412 -0.685 216 HB2 PHE 29 HB2 PHE 29 5.296 3.620 -1.483 217 HB3 PHE 29 HB1 PHE 29 6.493 2.519 -0.815 218 HD1 PHE 29 HD1 PHE 29 4.203 5.267 -0.126 219 HD2 PHE 29 HD2 PHE 29 7.042 2.574 1.501 220 HE1 PHE 29 HE1 PHE 29 3.407 5.841 2.094 221 HE2 PHE 29 HE2 PHE 29 6.306 3.102 3.747 222 HZ PHE 29 HZ PHE 29 4.455 4.765 4.090 223 HA PRO 30 HA PRO 30 9.460 3.287 -4.741 224 HB2 PRO 30 HB2 PRO 30 10.186 0.663 -4.170 225 HB3 PRO 30 HB1 PRO 30 11.233 2.066 -3.917 226 HG2 PRO 30 HG2 PRO 30 9.638 0.545 -1.947 227 HG3 PRO 30 HG1 PRO 30 11.176 1.403 -1.743 228 HD2 PRO 30 HD2 PRO 30 8.829 2.353 -0.828 229 HD3 PRO 30 HD1 PRO 30 10.156 3.405 -1.340 230 H THR 31 HN THR 31 7.203 1.153 -2.985 231 HA THR 31 HA THR 31 5.774 0.672 -5.382 232 HB THR 31 HB THR 31 7.529 -0.942 -5.755 233 HG1 THR 31 HG1 THR 31 5.699 -2.747 -4.789 234 HG21 THR 31 HG21 THR 31 7.966 -2.797 -4.098 235 HG22 THR 31 HG22 THR 31 6.985 -1.878 -2.936 236 HG23 THR 31 HG23 THR 31 8.463 -1.189 -3.577 237 H GLY 32 HN GLY 32 3.971 -0.998 -4.853 238 HA2 GLY 32 HA2 GLY 32 3.192 -1.047 -2.121 239 HA3 GLY 32 HA1 GLY 32 2.150 -0.119 -3.216 240 H SER 33 HN SER 33 1.430 -2.477 -1.903 241 HA SER 33 HA SER 33 0.633 -4.095 -4.105 242 HB2 SER 33 HB2 SER 33 2.672 -4.947 -2.120 243 HB3 SER 33 HB1 SER 33 1.712 -6.199 -2.932 244 HG SER 33 HG SER 33 2.767 -4.247 -4.512 245 H CYS 34 HN CYS 34 -0.849 -5.852 -3.321 246 HA CYS 34 HA CYS 34 -2.556 -4.583 -1.367 247 HB2 CYS 34 HB2 CYS 34 -3.157 -6.823 -3.284 248 HB3 CYS 34 HB1 CYS 34 -4.322 -5.939 -2.306 249 H ASP 35 HN ASP 35 -3.538 -5.724 0.289 250 HA ASP 35 HA ASP 35 -2.487 -8.337 1.049 251 HB2 ASP 35 HB2 ASP 35 -1.117 -6.632 2.018 252 HB3 ASP 35 HB1 ASP 35 -2.526 -5.762 2.575 253 H PHE 36 HN PHE 36 -3.919 -9.260 2.766 254 HA PHE 36 HA PHE 36 -6.592 -8.122 2.708 255 HB2 PHE 36 HB2 PHE 36 -6.367 -10.173 1.220 256 HB3 PHE 36 HB1 PHE 36 -5.925 -11.085 2.652 257 HD1 PHE 36 HD1 PHE 36 -8.328 -11.225 0.564 258 HD2 PHE 36 HD2 PHE 36 -7.967 -9.911 4.588 259 HE1 PHE 36 HE1 PHE 36 -10.718 -11.726 0.944 260 HE2 PHE 36 HE2 PHE 36 -10.322 -10.397 4.991 261 HZ PHE 36 HZ PHE 36 -11.722 -11.323 3.159 262 H HIS 37 HN HIS 37 -6.654 -7.361 4.655 263 HA HIS 37 HA HIS 37 -6.290 -9.258 6.871 264 HB2 HIS 37 HB2 HIS 37 -4.846 -7.812 8.123 265 HB3 HIS 37 HB1 HIS 37 -4.355 -7.578 6.439 266 HD1 HIS 37 HD1 HIS 37 -5.820 -5.763 9.281 267 HD2 HIS 37 HD2 HIS 37 -4.963 -5.125 5.284 268 HE1 HIS 37 HE1 HIS 37 -5.946 -3.264 8.931 269 HE2 HIS 37 HE2 HIS 37 -4.792 -3.068 6.745 270 H VAL 38 HN VAL 38 -8.347 -7.650 5.191 271 HA VAL 38 HA VAL 38 -10.152 -6.965 7.290 272 HB VAL 38 HB VAL 38 -10.710 -4.737 6.079 273 HG11 VAL 38 HG11 VAL 38 -9.656 -4.678 8.268 274 HG12 VAL 38 HG12 VAL 38 -8.970 -3.416 7.224 275 HG13 VAL 38 HG13 VAL 38 -8.071 -4.894 7.521 276 HG21 VAL 38 HG21 VAL 38 -7.933 -5.157 4.984 277 HG22 VAL 38 HG22 VAL 38 -8.823 -3.655 4.872 278 HG23 VAL 38 HG23 VAL 38 -9.411 -5.097 4.021 279 H ALA 39 HN ALA 39 -12.315 -6.600 6.333 280 HA ALA 39 HA ALA 39 -12.763 -8.494 4.297 281 HB1 ALA 39 HB1 ALA 39 -14.404 -8.123 6.093 282 HB2 ALA 39 HB2 ALA 39 -15.131 -7.882 4.504 283 HB3 ALA 39 HB3 ALA 39 -14.689 -6.489 5.491 284 H GLY 40 HN GLY 40 -11.535 -7.745 2.698 285 HA2 GLY 40 HA2 GLY 40 -12.503 -6.731 0.488 286 HA3 GLY 40 HA1 GLY 40 -12.115 -5.253 1.379 287 H ARG 41 HN ARG 41 -10.399 -4.626 0.100 288 HA ARG 41 HA ARG 41 -8.023 -6.357 0.224 289 HB2 ARG 41 HB2 ARG 41 -8.913 -4.430 -1.867 290 HB3 ARG 41 HB1 ARG 41 -7.442 -5.444 -1.861 291 HG2 ARG 41 HG2 ARG 41 -10.208 -6.524 -1.744 292 HG3 ARG 41 HG1 ARG 41 -9.508 -6.083 -3.263 293 HD2 ARG 41 HD2 ARG 41 -8.224 -8.037 -1.330 294 HD3 ARG 41 HD1 ARG 41 -9.269 -8.543 -2.657 295 HE ARG 41 HE ARG 41 -7.121 -6.868 -3.518 296 HH11 ARG 41 HH11 ARG 41 -7.862 -10.200 -2.615 297 HH12 ARG 41 HH12 ARG 41 -6.739 -10.917 -3.675 298 HH21 ARG 41 HH21 ARG 41 -5.595 -7.819 -5.043 299 HH22 ARG 41 HH22 ARG 41 -5.393 -9.497 -5.107 300 H LYS 42 HN LYS 42 -6.341 -5.283 1.303 301 HA LYS 42 HA LYS 42 -6.633 -2.400 1.482 302 HB2 LYS 42 HB2 LYS 42 -6.914 -3.409 3.668 303 HB3 LYS 42 HB1 LYS 42 -5.454 -4.342 3.494 304 HG2 LYS 42 HG2 LYS 42 -5.240 -2.388 5.009 305 HG3 LYS 42 HG1 LYS 42 -4.084 -2.396 3.687 306 HD2 LYS 42 HD2 LYS 42 -5.363 -0.698 2.514 307 HD3 LYS 42 HD1 LYS 42 -6.631 -0.762 3.753 308 HE2 LYS 42 HE2 LYS 42 -5.263 0.107 5.365 309 HE3 LYS 42 HE1 LYS 42 -3.786 -0.167 4.451 310 HZ1 LYS 42 HZ1 LYS 42 -4.400 2.244 4.430 311 HZ2 LYS 42 HZ2 LYS 42 -5.875 1.901 3.704 312 HZ3 LYS 42 HZ3 LYS 42 -4.420 1.611 2.902 313 H CYS 43 HN CYS 43 -5.150 -1.241 0.667 314 HA CYS 43 HA CYS 43 -2.920 -2.344 -0.726 315 HB2 CYS 43 HB2 CYS 43 -4.123 -0.496 -1.658 316 HB3 CYS 43 HB1 CYS 43 -3.918 0.448 -0.196 317 H TYR 44 HN TYR 44 -0.811 -2.431 -0.047 318 HA TYR 44 HA TYR 44 -0.044 -0.883 2.280 319 HB2 TYR 44 HB2 TYR 44 0.450 -3.765 1.700 320 HB3 TYR 44 HB1 TYR 44 1.573 -2.821 2.665 321 HD1 TYR 44 HD1 TYR 44 -1.927 -3.902 2.463 322 HD2 TYR 44 HD2 TYR 44 1.190 -2.473 4.926 323 HE1 TYR 44 HE1 TYR 44 -3.271 -4.415 4.408 324 HE2 TYR 44 HE2 TYR 44 -0.121 -2.970 6.921 325 HH TYR 44 HH TYR 44 -2.598 -4.969 6.892 326 H CYS 45 HN CYS 45 1.986 -0.207 2.242 327 HA CYS 45 HA CYS 45 3.128 -0.082 -0.405 328 HB2 CYS 45 HB2 CYS 45 3.640 1.649 2.018 329 HB3 CYS 45 HB1 CYS 45 4.148 1.972 0.399 330 H TYR 46 HN TYR 46 5.212 -0.667 -0.744 331 HA TYR 46 HA TYR 46 6.487 -2.022 1.498 332 HB2 TYR 46 HB2 TYR 46 6.407 -2.732 -1.397 333 HB3 TYR 46 HB1 TYR 46 7.670 -3.359 -0.347 334 HD1 TYR 46 HD1 TYR 46 3.921 -3.198 -0.713 335 HD2 TYR 46 HD2 TYR 46 7.296 -5.300 0.823 336 HE1 TYR 46 HE1 TYR 46 2.480 -4.979 -0.068 337 HE2 TYR 46 HE2 TYR 46 5.868 -7.148 1.460 338 HH TYR 46 HH TYR 46 2.676 -7.462 0.332 339 H LYS 47 HN LYS 47 8.457 -1.622 1.979 340 HA LYS 47 HA LYS 47 10.099 -0.065 0.200 341 HB2 LYS 47 HB2 LYS 47 10.638 1.631 1.938 342 HB3 LYS 47 HB1 LYS 47 8.987 1.722 1.353 343 HG2 LYS 47 HG2 LYS 47 8.202 0.620 3.390 344 HG3 LYS 47 HG1 LYS 47 9.855 0.458 3.966 345 HD2 LYS 47 HD2 LYS 47 10.071 2.914 3.944 346 HD3 LYS 47 HD1 LYS 47 8.379 3.037 3.464 347 HE2 LYS 47 HE2 LYS 47 8.533 3.361 5.847 348 HE3 LYS 47 HE1 LYS 47 7.762 1.806 5.534 349 HZ1 LYS 47 HZ1 LYS 47 9.909 0.712 5.971 350 HZ2 LYS 47 HZ2 LYS 47 9.410 1.621 7.295 351 HZ3 LYS 47 HZ3 LYS 47 10.613 2.212 6.273 352 HA PRO 48 HA PRO 48 13.110 -2.708 2.018 353 HB2 PRO 48 HB2 PRO 48 15.353 -1.451 1.194 354 HB3 PRO 48 HB1 PRO 48 14.311 -2.328 0.054 355 HG2 PRO 48 HG2 PRO 48 14.498 0.591 0.542 356 HG3 PRO 48 HG1 PRO 48 14.304 -0.290 -0.988 357 HD2 PRO 48 HD2 PRO 48 12.219 0.908 0.300 358 HD3 PRO 48 HD1 PRO 48 12.055 -0.519 -0.742 359 H CYS 49 HN CYS 49 13.310 -2.731 4.014 360 HA CYS 49 HA CYS 49 14.701 -0.587 5.477 361 HB2 CYS 49 HB2 CYS 49 12.869 -2.834 6.368 362 HB3 CYS 49 HB1 CYS 49 13.715 -1.754 7.496 363 HA PRO 50 HA PRO 50 18.090 -3.489 5.753 364 HB2 PRO 50 HB2 PRO 50 18.203 -3.179 8.701 365 HB3 PRO 50 HB1 PRO 50 19.445 -2.779 7.498 366 HG2 PRO 50 HG2 PRO 50 18.147 -0.858 8.764 367 HG3 PRO 50 HG1 PRO 50 18.572 -0.708 7.047 368 HD2 PRO 50 HD2 PRO 50 15.930 -1.374 8.266 369 HD3 PRO 50 HD1 PRO 50 16.309 -0.312 6.893 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 15.199 -6.843 3.001 2 H2 ARG 1 HT2 ARG 1 15.665 -6.853 4.678 3 H3 ARG 1 HT3 ARG 1 15.078 -5.522 4.001 4 HA ARG 1 HA ARG 1 13.332 -7.843 4.114 5 HB2 ARG 1 HB2 ARG 1 13.803 -5.665 6.135 6 HB3 ARG 1 HB1 ARG 1 12.281 -6.533 6.045 7 HG2 ARG 1 HG2 ARG 1 13.345 -8.591 6.619 8 HG3 ARG 1 HG1 ARG 1 14.945 -7.860 6.473 9 HD2 ARG 1 HD2 ARG 1 14.529 -6.425 8.336 10 HD3 ARG 1 HD1 ARG 1 12.855 -6.935 8.430 11 HE ARG 1 HE ARG 1 13.539 -9.073 9.195 12 HH11 ARG 1 HH11 ARG 1 16.272 -6.811 9.001 13 HH12 ARG 1 HH12 ARG 1 17.201 -7.556 10.183 14 HH21 ARG 1 HH21 ARG 1 14.842 -10.164 10.868 15 HH22 ARG 1 HH22 ARG 1 16.368 -9.526 11.279 16 H MET 2 HN MET 2 11.157 -7.353 3.791 17 HA MET 2 HA MET 2 10.668 -4.867 2.302 18 HB2 MET 2 HB2 MET 2 9.330 -7.574 2.244 19 HB3 MET 2 HB1 MET 2 8.670 -6.142 1.470 20 HG2 MET 2 HG2 MET 2 10.584 -5.992 0.027 21 HG3 MET 2 HG1 MET 2 11.347 -7.340 0.863 22 HE1 MET 2 HE1 MET 2 10.448 -8.829 -2.683 23 HE2 MET 2 HE2 MET 2 11.740 -8.535 -1.517 24 HE3 MET 2 HE3 MET 2 10.963 -7.179 -2.335 25 H CYS 3 HN CYS 3 9.942 -3.463 3.523 26 HA CYS 3 HA CYS 3 8.345 -4.121 5.840 27 HB2 CYS 3 HB2 CYS 3 9.739 -1.755 4.791 28 HB3 CYS 3 HB1 CYS 3 8.383 -1.443 5.884 29 H LYS 4 HN LYS 4 6.261 -4.244 5.753 30 HA LYS 4 HA LYS 4 4.851 -3.090 3.487 31 HB2 LYS 4 HB2 LYS 4 4.638 -5.545 4.078 32 HB3 LYS 4 HB1 LYS 4 3.866 -5.052 5.578 33 HG2 LYS 4 HG2 LYS 4 2.028 -4.071 4.353 34 HG3 LYS 4 HG1 LYS 4 2.864 -4.374 2.839 35 HD2 LYS 4 HD2 LYS 4 1.165 -6.019 3.094 36 HD3 LYS 4 HD1 LYS 4 2.736 -6.775 3.264 37 HE2 LYS 4 HE2 LYS 4 2.494 -6.794 5.709 38 HE3 LYS 4 HE1 LYS 4 0.923 -6.008 5.562 39 HZ1 LYS 4 HZ1 LYS 4 1.560 -8.701 4.439 40 HZ2 LYS 4 HZ2 LYS 4 0.052 -7.961 4.433 41 HZ3 LYS 4 HZ3 LYS 4 0.713 -8.430 5.871 42 H THR 5 HN THR 5 4.138 -1.123 3.861 43 HA THR 5 HA THR 5 3.364 -0.265 6.556 44 HB THR 5 HB THR 5 4.497 1.169 4.163 45 HG1 THR 5 HG1 THR 5 5.523 -0.137 6.174 46 HG21 THR 5 HG21 THR 5 4.662 3.145 5.623 47 HG22 THR 5 HG22 THR 5 3.702 2.306 6.862 48 HG23 THR 5 HG23 THR 5 3.009 2.675 5.266 49 HA PRO 6 HA PRO 6 -0.788 0.061 4.789 50 HB2 PRO 6 HB2 PRO 6 -1.904 1.673 6.696 51 HB3 PRO 6 HB1 PRO 6 -1.641 -0.068 6.924 52 HG2 PRO 6 HG2 PRO 6 -0.007 2.208 7.909 53 HG3 PRO 6 HG1 PRO 6 -0.446 0.692 8.724 54 HD2 PRO 6 HD2 PRO 6 1.986 1.071 7.626 55 HD3 PRO 6 HD1 PRO 6 1.198 -0.519 7.673 56 H SER 7 HN SER 7 -1.539 1.290 3.222 57 HA SER 7 HA SER 7 -0.524 3.842 2.529 58 HB2 SER 7 HB2 SER 7 -2.418 3.720 0.862 59 HB3 SER 7 HB1 SER 7 -1.287 2.370 0.802 60 HG SER 7 HG SER 7 -2.711 1.073 1.479 61 H GLY 8 HN GLY 8 -1.532 5.943 2.641 62 HA2 GLY 8 HA2 GLY 8 -3.659 6.121 4.599 63 HA3 GLY 8 HA1 GLY 8 -2.580 7.405 4.078 64 H LYS 9 HN LYS 9 -2.900 7.199 1.216 65 HA LYS 9 HA LYS 9 -5.487 8.430 1.247 66 HB2 LYS 9 HB2 LYS 9 -4.973 9.456 -0.894 67 HB3 LYS 9 HB1 LYS 9 -3.866 9.813 0.429 68 HG2 LYS 9 HG2 LYS 9 -2.841 7.636 -0.873 69 HG3 LYS 9 HG1 LYS 9 -3.247 8.775 -2.145 70 HD2 LYS 9 HD2 LYS 9 -2.302 10.495 -0.432 71 HD3 LYS 9 HD1 LYS 9 -1.576 8.988 0.192 72 HE2 LYS 9 HE2 LYS 9 -0.756 8.457 -1.852 73 HE3 LYS 9 HE1 LYS 9 -1.403 9.936 -2.563 74 HZ1 LYS 9 HZ1 LYS 9 1.055 10.315 -1.797 75 HZ2 LYS 9 HZ2 LYS 9 0.475 9.941 -0.251 76 HZ3 LYS 9 HZ3 LYS 9 -0.077 11.306 -1.007 77 H PHE 10 HN PHE 10 -4.462 5.594 0.708 78 HA PHE 10 HA PHE 10 -5.845 4.970 -1.713 79 HB2 PHE 10 HB2 PHE 10 -3.906 3.667 -0.611 80 HB3 PHE 10 HB1 PHE 10 -5.208 2.967 0.364 81 HD1 PHE 10 HD1 PHE 10 -6.804 1.441 -0.583 82 HD2 PHE 10 HD2 PHE 10 -3.881 3.431 -2.834 83 HE1 PHE 10 HE1 PHE 10 -7.329 -0.058 -2.461 84 HE2 PHE 10 HE2 PHE 10 -4.358 1.910 -4.814 85 HZ PHE 10 HZ PHE 10 -6.112 0.173 -4.579 86 H LYS 11 HN LYS 11 -7.862 4.842 -1.839 87 HA LYS 11 HA LYS 11 -9.458 3.884 0.447 88 HB2 LYS 11 HB2 LYS 11 -10.901 5.817 -1.278 89 HB3 LYS 11 HB1 LYS 11 -10.987 5.607 0.447 90 HG2 LYS 11 HG2 LYS 11 -8.962 7.251 -1.088 91 HG3 LYS 11 HG1 LYS 11 -10.300 7.860 -0.137 92 HD2 LYS 11 HD2 LYS 11 -7.864 6.407 0.911 93 HD3 LYS 11 HD1 LYS 11 -8.148 8.135 0.996 94 HE2 LYS 11 HE2 LYS 11 -10.082 7.709 2.455 95 HE3 LYS 11 HE1 LYS 11 -9.732 5.978 2.381 96 HZ1 LYS 11 HZ1 LYS 11 -8.738 6.919 4.376 97 HZ2 LYS 11 HZ2 LYS 11 -7.930 8.083 3.448 98 HZ3 LYS 11 HZ3 LYS 11 -7.497 6.487 3.298 99 H GLY 12 HN GLY 12 -9.874 1.856 -0.447 100 HA2 GLY 12 HA2 GLY 12 -11.937 1.340 -1.994 101 HA3 GLY 12 HA1 GLY 12 -10.732 1.752 -3.206 102 H TYR 13 HN TYR 13 -11.205 -0.440 -3.868 103 HA TYR 13 HA TYR 13 -10.208 -2.598 -2.221 104 HB2 TYR 13 HB2 TYR 13 -11.913 -2.350 -4.584 105 HB3 TYR 13 HB1 TYR 13 -10.811 -3.719 -4.630 106 HD1 TYR 13 HD1 TYR 13 -13.645 -2.199 -2.807 107 HD2 TYR 13 HD2 TYR 13 -11.083 -5.556 -3.203 108 HE1 TYR 13 HE1 TYR 13 -15.158 -3.523 -1.375 109 HE2 TYR 13 HE2 TYR 13 -12.536 -6.879 -1.800 110 HH TYR 13 HH TYR 13 -15.694 -5.875 -0.929 111 H CYS 14 HN CYS 14 -8.138 -3.119 -2.245 112 HA CYS 14 HA CYS 14 -6.483 -2.405 -4.529 113 HB2 CYS 14 HB2 CYS 14 -5.791 -2.261 -2.025 114 HB3 CYS 14 HB1 CYS 14 -5.625 -4.011 -2.143 115 H VAL 15 HN VAL 15 -7.945 -3.870 -5.716 116 HA VAL 15 HA VAL 15 -7.519 -6.644 -5.643 117 HB VAL 15 HB VAL 15 -8.426 -6.713 -7.989 118 HG11 VAL 15 HG11 VAL 15 -10.680 -5.942 -7.374 119 HG12 VAL 15 HG12 VAL 15 -9.996 -5.104 -5.980 120 HG13 VAL 15 HG13 VAL 15 -9.916 -6.863 -6.080 121 HG21 VAL 15 HG21 VAL 15 -9.349 -4.646 -8.956 122 HG22 VAL 15 HG22 VAL 15 -7.596 -4.546 -8.791 123 HG23 VAL 15 HG23 VAL 15 -8.638 -3.714 -7.638 124 H ASN 16 HN ASN 16 -5.831 -4.140 -7.520 125 HA ASN 16 HA ASN 16 -3.900 -6.206 -8.313 126 HB2 ASN 16 HB2 ASN 16 -5.130 -5.328 -10.255 127 HB3 ASN 16 HB1 ASN 16 -4.741 -3.684 -9.781 128 HD21 ASN 16 HD21 ASN 16 -3.771 -3.291 -11.769 129 HD22 ASN 16 HD22 ASN 16 -2.213 -3.947 -12.164 130 H ASN 17 HN ASN 17 -1.737 -5.563 -8.375 131 HA ASN 17 HA ASN 17 -1.063 -4.001 -6.084 132 HB2 ASN 17 HB2 ASN 17 0.657 -5.441 -8.096 133 HB3 ASN 17 HB1 ASN 17 1.318 -4.543 -6.735 134 HD21 ASN 17 HD21 ASN 17 1.372 -7.444 -7.415 135 HD22 ASN 17 HD22 ASN 17 0.708 -8.213 -6.017 136 H THR 18 HN THR 18 -1.024 -3.413 -9.532 137 HA THR 18 HA THR 18 0.779 -1.303 -9.669 138 HB THR 18 HB THR 18 -1.731 -1.610 -11.339 139 HG1 THR 18 HG1 THR 18 0.422 -2.724 -12.461 140 HG21 THR 18 HG21 THR 18 -0.324 -0.633 -13.110 141 HG22 THR 18 HG22 THR 18 1.020 -0.504 -11.976 142 HG23 THR 18 HG23 THR 18 -0.435 0.461 -11.730 143 H ASN 19 HN ASN 19 -2.769 -1.163 -8.747 144 HA ASN 19 HA ASN 19 -2.883 1.662 -8.830 145 HB2 ASN 19 HB2 ASN 19 -4.930 1.250 -7.273 146 HB3 ASN 19 HB1 ASN 19 -5.081 0.708 -8.942 147 HD21 ASN 19 HD21 ASN 19 -4.746 -0.201 -5.619 148 HD22 ASN 19 HD22 ASN 19 -5.109 -1.875 -5.876 149 H CYS 20 HN CYS 20 -2.330 -0.725 -6.355 150 HA CYS 20 HA CYS 20 -2.194 0.910 -4.072 151 HB2 CYS 20 HB2 CYS 20 -2.058 -1.673 -4.363 152 HB3 CYS 20 HB1 CYS 20 -0.398 -1.382 -4.655 153 H LYS 21 HN LYS 21 0.043 -0.237 -6.420 154 HA LYS 21 HA LYS 21 2.316 0.435 -5.412 155 HB2 LYS 21 HB2 LYS 21 1.473 -0.651 -7.724 156 HB3 LYS 21 HB1 LYS 21 2.035 0.924 -8.273 157 HG2 LYS 21 HG2 LYS 21 4.226 0.497 -7.648 158 HG3 LYS 21 HG1 LYS 21 3.752 -0.989 -6.798 159 HD2 LYS 21 HD2 LYS 21 3.037 -2.026 -8.810 160 HD3 LYS 21 HD1 LYS 21 3.223 -0.529 -9.719 161 HE2 LYS 21 HE2 LYS 21 4.993 -2.003 -10.214 162 HE3 LYS 21 HE1 LYS 21 5.558 -0.584 -9.308 163 HZ1 LYS 21 HZ1 LYS 21 6.617 -2.655 -8.507 164 HZ2 LYS 21 HZ2 LYS 21 5.108 -3.311 -8.166 165 HZ3 LYS 21 HZ3 LYS 21 5.665 -1.996 -7.282 166 H ASN 22 HN ASN 22 0.302 2.179 -7.768 167 HA ASN 22 HA ASN 22 1.847 4.497 -8.075 168 HB2 ASN 22 HB2 ASN 22 -1.105 4.083 -8.546 169 HB3 ASN 22 HB1 ASN 22 -0.237 5.545 -8.991 170 HD21 ASN 22 HD21 ASN 22 -1.625 3.702 -10.723 171 HD22 ASN 22 HD22 ASN 22 -0.451 3.113 -11.846 172 H VAL 23 HN VAL 23 -0.899 3.823 -5.962 173 HA VAL 23 HA VAL 23 -1.030 6.420 -4.917 174 HB VAL 23 HB VAL 23 -1.881 3.818 -3.617 175 HG11 VAL 23 HG11 VAL 23 -2.621 6.666 -2.951 176 HG12 VAL 23 HG12 VAL 23 -1.642 5.593 -1.955 177 HG13 VAL 23 HG13 VAL 23 -3.350 5.246 -2.211 178 HG21 VAL 23 HG21 VAL 23 -4.160 4.575 -4.369 179 HG22 VAL 23 HG22 VAL 23 -3.071 4.080 -5.659 180 HG23 VAL 23 HG23 VAL 23 -3.354 5.806 -5.344 181 H CYS 24 HN CYS 24 0.698 3.551 -3.776 182 HA CYS 24 HA CYS 24 1.867 4.795 -1.546 183 HB2 CYS 24 HB2 CYS 24 2.595 2.351 -3.119 184 HB3 CYS 24 HB1 CYS 24 3.491 2.804 -1.683 185 H ARG 25 HN ARG 25 2.875 4.548 -4.879 186 HA ARG 25 HA ARG 25 5.436 5.619 -4.455 187 HB2 ARG 25 HB2 ARG 25 3.723 5.515 -6.936 188 HB3 ARG 25 HB1 ARG 25 5.399 6.064 -6.939 189 HG2 ARG 25 HG2 ARG 25 6.223 3.948 -6.355 190 HG3 ARG 25 HG1 ARG 25 4.641 3.389 -5.820 191 HD2 ARG 25 HD2 ARG 25 5.058 2.329 -7.877 192 HD3 ARG 25 HD1 ARG 25 3.881 3.618 -8.167 193 HE ARG 25 HE ARG 25 6.691 4.052 -8.612 194 HH11 ARG 25 HH11 ARG 25 3.400 3.860 -10.020 195 HH12 ARG 25 HH12 ARG 25 3.837 4.439 -11.524 196 HH21 ARG 25 HH21 ARG 25 7.303 4.868 -10.779 197 HH22 ARG 25 HH22 ARG 25 6.126 5.023 -11.996 198 H THR 26 HN THR 26 2.288 6.978 -4.838 199 HA THR 26 HA THR 26 3.186 9.705 -5.067 200 HB THR 26 HB THR 26 0.407 8.679 -4.369 201 HG1 THR 26 HG1 THR 26 1.227 7.847 -6.411 202 HG21 THR 26 HG21 THR 26 -0.358 10.813 -5.322 203 HG22 THR 26 HG22 THR 26 1.314 11.283 -5.623 204 HG23 THR 26 HG23 THR 26 0.739 11.087 -3.968 205 H GLU 27 HN GLU 27 2.194 7.508 -2.473 206 HA GLU 27 HA GLU 27 2.195 9.369 -0.341 207 HB2 GLU 27 HB2 GLU 27 2.736 6.395 -0.399 208 HB3 GLU 27 HB1 GLU 27 2.703 7.316 1.102 209 HG2 GLU 27 HG2 GLU 27 0.406 7.294 -0.803 210 HG3 GLU 27 HG1 GLU 27 0.492 6.054 0.396 211 H GLY 28 HN GLY 28 4.742 7.325 -1.633 212 HA2 GLY 28 HA2 GLY 28 6.918 8.698 -1.801 213 HA3 GLY 28 HA1 GLY 28 6.718 8.839 -0.054 214 H PHE 29 HN PHE 29 6.039 6.074 -2.109 215 HA PHE 29 HA PHE 29 8.111 4.567 -0.703 216 HB2 PHE 29 HB2 PHE 29 5.301 3.741 -1.394 217 HB3 PHE 29 HB1 PHE 29 6.510 2.606 -0.833 218 HD1 PHE 29 HD1 PHE 29 4.326 5.351 0.033 219 HD2 PHE 29 HD2 PHE 29 7.168 2.580 1.487 220 HE1 PHE 29 HE1 PHE 29 3.611 5.878 2.295 221 HE2 PHE 29 HE2 PHE 29 6.512 3.069 3.785 222 HZ PHE 29 HZ PHE 29 4.709 4.742 4.222 223 HA PRO 30 HA PRO 30 9.467 3.435 -4.758 224 HB2 PRO 30 HB2 PRO 30 10.192 0.804 -4.201 225 HB3 PRO 30 HB1 PRO 30 11.241 2.206 -3.947 226 HG2 PRO 30 HG2 PRO 30 9.646 0.686 -1.977 227 HG3 PRO 30 HG1 PRO 30 11.193 1.526 -1.776 228 HD2 PRO 30 HD2 PRO 30 8.877 2.503 -0.839 229 HD3 PRO 30 HD1 PRO 30 10.201 3.546 -1.388 230 H THR 31 HN THR 31 7.222 1.267 -3.002 231 HA THR 31 HA THR 31 5.804 0.814 -5.406 232 HB THR 31 HB THR 31 7.568 -0.784 -5.791 233 HG1 THR 31 HG1 THR 31 5.728 -2.599 -4.853 234 HG21 THR 31 HG21 THR 31 6.996 -1.819 -3.011 235 HG22 THR 31 HG22 THR 31 8.475 -1.050 -3.577 236 HG23 THR 31 HG23 THR 31 8.027 -2.650 -4.178 237 H GLY 32 HN GLY 32 4.008 -0.850 -4.902 238 HA2 GLY 32 HA2 GLY 32 3.226 -0.907 -2.163 239 HA3 GLY 32 HA1 GLY 32 2.171 -0.022 -3.284 240 H SER 33 HN SER 33 1.535 -2.382 -1.928 241 HA SER 33 HA SER 33 0.725 -4.018 -4.106 242 HB2 SER 33 HB2 SER 33 2.815 -4.842 -2.176 243 HB3 SER 33 HB1 SER 33 1.819 -6.103 -2.935 244 HG SER 33 HG SER 33 2.851 -4.156 -4.561 245 H CYS 34 HN CYS 34 -0.721 -5.795 -3.283 246 HA CYS 34 HA CYS 34 -2.418 -4.501 -1.358 247 HB2 CYS 34 HB2 CYS 34 -2.981 -6.798 -3.202 248 HB3 CYS 34 HB1 CYS 34 -4.161 -5.873 -2.279 249 H ASP 35 HN ASP 35 -3.558 -5.705 0.214 250 HA ASP 35 HA ASP 35 -2.464 -8.238 1.124 251 HB2 ASP 35 HB2 ASP 35 -1.099 -6.528 2.066 252 HB3 ASP 35 HB1 ASP 35 -2.512 -5.623 2.563 253 H PHE 36 HN PHE 36 -3.951 -9.239 2.625 254 HA PHE 36 HA PHE 36 -6.581 -7.992 2.670 255 HB2 PHE 36 HB2 PHE 36 -6.418 -10.063 1.191 256 HB3 PHE 36 HB1 PHE 36 -6.009 -10.975 2.634 257 HD1 PHE 36 HD1 PHE 36 -7.983 -9.808 4.591 258 HD2 PHE 36 HD2 PHE 36 -8.439 -10.947 0.522 259 HE1 PHE 36 HE1 PHE 36 -10.349 -10.232 5.007 260 HE2 PHE 36 HE2 PHE 36 -10.840 -11.372 0.914 261 HZ PHE 36 HZ PHE 36 -11.802 -11.027 3.158 262 H HIS 37 HN HIS 37 -6.679 -7.259 4.621 263 HA HIS 37 HA HIS 37 -6.268 -9.148 6.830 264 HB2 HIS 37 HB2 HIS 37 -4.785 -7.711 8.047 265 HB3 HIS 37 HB1 HIS 37 -4.340 -7.471 6.349 266 HD1 HIS 37 HD1 HIS 37 -5.716 -5.663 9.238 267 HD2 HIS 37 HD2 HIS 37 -4.968 -5.013 5.218 268 HE1 HIS 37 HE1 HIS 37 -5.831 -3.163 8.907 269 HE2 HIS 37 HE2 HIS 37 -4.721 -2.978 6.698 270 H VAL 38 HN VAL 38 -8.367 -7.548 5.187 271 HA VAL 38 HA VAL 38 -10.098 -6.823 7.332 272 HB VAL 38 HB VAL 38 -10.646 -4.588 6.118 273 HG11 VAL 38 HG11 VAL 38 -9.581 -4.547 8.304 274 HG12 VAL 38 HG12 VAL 38 -8.878 -3.299 7.258 275 HG13 VAL 38 HG13 VAL 38 -8.004 -4.794 7.553 276 HG21 VAL 38 HG21 VAL 38 -8.817 -3.544 4.847 277 HG22 VAL 38 HG22 VAL 38 -9.318 -5.057 4.064 278 HG23 VAL 38 HG23 VAL 38 -7.861 -5.003 5.041 279 H ALA 39 HN ALA 39 -12.278 -6.436 6.474 280 HA ALA 39 HA ALA 39 -12.870 -8.219 4.370 281 HB1 ALA 39 HB1 ALA 39 -15.207 -7.523 4.705 282 HB2 ALA 39 HB2 ALA 39 -14.667 -6.204 5.742 283 HB3 ALA 39 HB3 ALA 39 -14.428 -7.877 6.247 284 H GLY 40 HN GLY 40 -11.681 -7.438 2.766 285 HA2 GLY 40 HA2 GLY 40 -12.692 -6.198 0.670 286 HA3 GLY 40 HA1 GLY 40 -12.096 -4.843 1.642 287 H ARG 41 HN ARG 41 -10.364 -4.317 0.338 288 HA ARG 41 HA ARG 41 -8.142 -6.172 0.540 289 HB2 ARG 41 HB2 ARG 41 -9.106 -4.977 -2.062 290 HB3 ARG 41 HB1 ARG 41 -7.468 -5.625 -1.789 291 HG2 ARG 41 HG2 ARG 41 -8.203 -7.631 -1.395 292 HG3 ARG 41 HG1 ARG 41 -9.954 -7.282 -1.307 293 HD2 ARG 41 HD2 ARG 41 -9.650 -8.355 -3.376 294 HD3 ARG 41 HD1 ARG 41 -9.466 -6.668 -3.838 295 HE ARG 41 HE ARG 41 -7.090 -6.963 -3.782 296 HH11 ARG 41 HH11 ARG 41 -8.944 -9.988 -3.715 297 HH12 ARG 41 HH12 ARG 41 -7.786 -10.909 -4.546 298 HH21 ARG 41 HH21 ARG 41 -5.491 -8.226 -4.992 299 HH22 ARG 41 HH22 ARG 41 -5.739 -9.868 -5.298 300 H LYS 42 HN LYS 42 -6.435 -5.154 1.364 301 HA LYS 42 HA LYS 42 -6.632 -2.267 1.407 302 HB2 LYS 42 HB2 LYS 42 -6.851 -3.305 3.594 303 HB3 LYS 42 HB1 LYS 42 -5.393 -4.226 3.371 304 HG2 LYS 42 HG2 LYS 42 -5.135 -2.305 4.892 305 HG3 LYS 42 HG1 LYS 42 -4.044 -2.254 3.516 306 HD2 LYS 42 HD2 LYS 42 -5.412 -0.568 2.448 307 HD3 LYS 42 HD1 LYS 42 -6.623 -0.699 3.739 308 HE2 LYS 42 HE2 LYS 42 -5.208 0.174 5.312 309 HE3 LYS 42 HE1 LYS 42 -3.767 -0.033 4.320 310 HZ1 LYS 42 HZ1 LYS 42 -5.968 1.943 3.742 311 HZ2 LYS 42 HZ2 LYS 42 -4.536 1.742 2.842 312 HZ3 LYS 42 HZ3 LYS 42 -4.450 2.345 4.364 313 H CYS 43 HN CYS 43 -5.041 -1.090 0.706 314 HA CYS 43 HA CYS 43 -2.863 -2.289 -0.754 315 HB2 CYS 43 HB2 CYS 43 -4.016 -0.509 -1.810 316 HB3 CYS 43 HB1 CYS 43 -3.927 0.493 -0.376 317 H TYR 44 HN TYR 44 -0.763 -2.329 -0.084 318 HA TYR 44 HA TYR 44 -0.035 -0.712 2.207 319 HB2 TYR 44 HB2 TYR 44 0.490 -3.596 1.696 320 HB3 TYR 44 HB1 TYR 44 1.590 -2.618 2.657 321 HD1 TYR 44 HD1 TYR 44 1.161 -2.194 4.888 322 HD2 TYR 44 HD2 TYR 44 -1.883 -3.767 2.426 323 HE1 TYR 44 HE1 TYR 44 -0.179 -2.641 6.877 324 HE2 TYR 44 HE2 TYR 44 -3.257 -4.223 4.360 325 HH TYR 44 HH TYR 44 -2.592 -4.700 6.859 326 H CYS 45 HN CYS 45 1.970 -0.010 2.179 327 HA CYS 45 HA CYS 45 3.143 0.125 -0.443 328 HB2 CYS 45 HB2 CYS 45 3.710 1.764 2.029 329 HB3 CYS 45 HB1 CYS 45 4.192 2.128 0.408 330 H TYR 46 HN TYR 46 5.192 -0.539 -0.797 331 HA TYR 46 HA TYR 46 6.426 -1.988 1.407 332 HB2 TYR 46 HB2 TYR 46 6.269 -2.627 -1.493 333 HB3 TYR 46 HB1 TYR 46 7.535 -3.328 -0.489 334 HD1 TYR 46 HD1 TYR 46 7.112 -5.321 0.575 335 HD2 TYR 46 HD2 TYR 46 3.785 -2.976 -0.660 336 HE1 TYR 46 HE1 TYR 46 5.624 -7.111 1.239 337 HE2 TYR 46 HE2 TYR 46 2.278 -4.712 0.005 338 HH TYR 46 HH TYR 46 2.355 -7.209 0.296 339 H LYS 47 HN LYS 47 8.418 -1.693 1.874 340 HA LYS 47 HA LYS 47 10.111 -0.131 0.142 341 HB2 LYS 47 HB2 LYS 47 10.723 1.470 1.948 342 HB3 LYS 47 HB1 LYS 47 9.071 1.647 1.388 343 HG2 LYS 47 HG2 LYS 47 8.258 0.492 3.376 344 HG3 LYS 47 HG1 LYS 47 9.905 0.220 3.924 345 HD2 LYS 47 HD2 LYS 47 10.239 2.660 4.031 346 HD3 LYS 47 HD1 LYS 47 8.550 2.892 3.580 347 HE2 LYS 47 HE2 LYS 47 8.743 3.075 5.977 348 HE3 LYS 47 HE1 LYS 47 7.898 1.576 5.587 349 HZ1 LYS 47 HZ1 LYS 47 9.996 0.362 5.939 350 HZ2 LYS 47 HZ2 LYS 47 9.553 1.219 7.317 351 HZ3 LYS 47 HZ3 LYS 47 10.773 1.808 6.315 352 HA PRO 48 HA PRO 48 13.021 -2.967 1.839 353 HB2 PRO 48 HB2 PRO 48 15.323 -1.743 1.140 354 HB3 PRO 48 HB1 PRO 48 14.276 -2.516 -0.069 355 HG2 PRO 48 HG2 PRO 48 14.556 0.361 0.591 356 HG3 PRO 48 HG1 PRO 48 14.355 -0.423 -0.989 357 HD2 PRO 48 HD2 PRO 48 12.300 0.780 0.336 358 HD3 PRO 48 HD1 PRO 48 12.094 -0.574 -0.790 359 H CYS 49 HN CYS 49 13.242 -3.159 3.822 360 HA CYS 49 HA CYS 49 14.718 -1.183 5.437 361 HB2 CYS 49 HB2 CYS 49 12.767 -3.381 6.177 362 HB3 CYS 49 HB1 CYS 49 13.678 -2.435 7.372 363 HA PRO 50 HA PRO 50 17.990 -4.197 5.511 364 HB2 PRO 50 HB2 PRO 50 18.097 -4.134 8.475 365 HB3 PRO 50 HB1 PRO 50 19.356 -3.674 7.309 366 HG2 PRO 50 HG2 PRO 50 18.107 -1.824 8.723 367 HG3 PRO 50 HG1 PRO 50 18.543 -1.551 7.023 368 HD2 PRO 50 HD2 PRO 50 15.880 -2.240 8.183 369 HD3 PRO 50 HD1 PRO 50 16.289 -1.077 6.905 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 15.147 -6.692 3.659 2 H2 ARG 1 HT2 ARG 1 15.546 -6.610 5.353 3 H3 ARG 1 HT3 ARG 1 14.990 -5.318 4.583 4 HA ARG 1 HA ARG 1 13.229 -7.627 4.765 5 HB2 ARG 1 HB2 ARG 1 13.628 -5.323 6.655 6 HB3 ARG 1 HB1 ARG 1 12.106 -6.189 6.553 7 HG2 ARG 1 HG2 ARG 1 13.136 -8.209 7.307 8 HG3 ARG 1 HG1 ARG 1 14.742 -7.479 7.203 9 HD2 ARG 1 HD2 ARG 1 14.212 -5.918 8.933 10 HD3 ARG 1 HD1 ARG 1 12.543 -6.444 8.975 11 HE ARG 1 HE ARG 1 13.208 -8.510 9.924 12 HH11 ARG 1 HH11 ARG 1 15.924 -6.234 9.699 13 HH12 ARG 1 HH12 ARG 1 16.797 -6.872 10.986 14 HH21 ARG 1 HH21 ARG 1 14.430 -9.454 11.741 15 HH22 ARG 1 HH22 ARG 1 15.926 -8.770 12.184 16 H MET 2 HN MET 2 11.087 -7.173 4.326 17 HA MET 2 HA MET 2 10.652 -4.773 2.697 18 HB2 MET 2 HB2 MET 2 9.268 -7.452 2.765 19 HB3 MET 2 HB1 MET 2 8.656 -6.058 1.891 20 HG2 MET 2 HG2 MET 2 10.635 -6.015 0.522 21 HG3 MET 2 HG1 MET 2 11.303 -7.371 1.424 22 HE1 MET 2 HE1 MET 2 8.776 -10.247 0.357 23 HE2 MET 2 HE2 MET 2 8.594 -9.195 1.754 24 HE3 MET 2 HE3 MET 2 10.181 -9.850 1.345 25 H CYS 3 HN CYS 3 9.943 -3.312 3.857 26 HA CYS 3 HA CYS 3 8.292 -3.829 6.162 27 HB2 CYS 3 HB2 CYS 3 9.656 -1.508 4.980 28 HB3 CYS 3 HB1 CYS 3 8.261 -1.150 6.005 29 H LYS 4 HN LYS 4 6.248 -4.121 5.972 30 HA LYS 4 HA LYS 4 4.845 -3.098 3.645 31 HB2 LYS 4 HB2 LYS 4 4.755 -5.544 4.435 32 HB3 LYS 4 HB1 LYS 4 3.824 -4.955 5.803 33 HG2 LYS 4 HG2 LYS 4 2.077 -4.178 4.333 34 HG3 LYS 4 HG1 LYS 4 3.057 -4.586 2.931 35 HD2 LYS 4 HD2 LYS 4 1.450 -6.290 3.172 36 HD3 LYS 4 HD1 LYS 4 3.007 -6.941 3.639 37 HE2 LYS 4 HE2 LYS 4 2.440 -6.680 6.020 38 HE3 LYS 4 HE1 LYS 4 0.875 -5.999 5.575 39 HZ1 LYS 4 HZ1 LYS 4 0.309 -8.125 4.512 40 HZ2 LYS 4 HZ2 LYS 4 0.588 -8.329 6.118 41 HZ3 LYS 4 HZ3 LYS 4 1.770 -8.789 4.980 42 H THR 5 HN THR 5 4.077 -1.140 3.944 43 HA THR 5 HA THR 5 3.241 -0.225 6.602 44 HB THR 5 HB THR 5 4.346 1.163 4.184 45 HG1 THR 5 HG1 THR 5 5.403 -0.022 6.272 46 HG21 THR 5 HG21 THR 5 2.771 2.633 5.251 47 HG22 THR 5 HG22 THR 5 4.410 3.204 5.533 48 HG23 THR 5 HG23 THR 5 3.524 2.380 6.837 49 HA PRO 6 HA PRO 6 -0.836 -0.028 4.614 50 HB2 PRO 6 HB2 PRO 6 -2.102 1.320 6.619 51 HB3 PRO 6 HB1 PRO 6 -1.839 -0.436 6.557 52 HG2 PRO 6 HG2 PRO 6 -0.484 1.590 8.215 53 HG3 PRO 6 HG1 PRO 6 -0.724 -0.139 8.518 54 HD2 PRO 6 HD2 PRO 6 1.660 1.044 7.645 55 HD3 PRO 6 HD1 PRO 6 1.269 -0.683 7.592 56 H SER 7 HN SER 7 -0.982 1.248 2.999 57 HA SER 7 HA SER 7 -0.258 3.846 2.569 58 HB2 SER 7 HB2 SER 7 -2.738 2.600 1.493 59 HB3 SER 7 HB1 SER 7 -1.573 3.584 0.616 60 HG SER 7 HG SER 7 -0.233 1.927 0.494 61 H GLY 8 HN GLY 8 -1.258 5.815 2.849 62 HA2 GLY 8 HA2 GLY 8 -3.557 5.803 4.679 63 HA3 GLY 8 HA1 GLY 8 -2.363 7.081 4.551 64 H LYS 9 HN LYS 9 -2.753 6.749 1.403 65 HA LYS 9 HA LYS 9 -5.190 8.460 1.387 66 HB2 LYS 9 HB2 LYS 9 -4.280 9.727 -0.258 67 HB3 LYS 9 HB1 LYS 9 -3.123 9.647 1.076 68 HG2 LYS 9 HG2 LYS 9 -1.814 8.112 -0.090 69 HG3 LYS 9 HG1 LYS 9 -3.029 7.983 -1.368 70 HD2 LYS 9 HD2 LYS 9 -2.904 10.354 -1.513 71 HD3 LYS 9 HD1 LYS 9 -1.382 10.282 -0.591 72 HE2 LYS 9 HE2 LYS 9 -0.660 8.461 -2.163 73 HE3 LYS 9 HE1 LYS 9 -2.059 8.885 -3.136 74 HZ1 LYS 9 HZ1 LYS 9 -1.105 11.092 -3.476 75 HZ2 LYS 9 HZ2 LYS 9 -0.139 9.805 -4.023 76 HZ3 LYS 9 HZ3 LYS 9 0.289 10.607 -2.593 77 H PHE 10 HN PHE 10 -4.507 5.589 0.842 78 HA PHE 10 HA PHE 10 -4.907 5.074 -1.869 79 HB2 PHE 10 HB2 PHE 10 -3.957 3.467 -0.277 80 HB3 PHE 10 HB1 PHE 10 -5.555 3.261 0.429 81 HD1 PHE 10 HD1 PHE 10 -6.888 1.533 -0.389 82 HD2 PHE 10 HD2 PHE 10 -3.867 3.253 -2.755 83 HE1 PHE 10 HE1 PHE 10 -7.381 -0.113 -2.149 84 HE2 PHE 10 HE2 PHE 10 -4.322 1.599 -4.576 85 HZ PHE 10 HZ PHE 10 -6.095 -0.086 -4.248 86 H LYS 11 HN LYS 11 -6.475 4.698 -3.064 87 HA LYS 11 HA LYS 11 -9.166 5.056 -2.058 88 HB2 LYS 11 HB2 LYS 11 -9.460 6.229 -4.479 89 HB3 LYS 11 HB1 LYS 11 -9.145 7.102 -2.998 90 HG2 LYS 11 HG2 LYS 11 -7.746 7.958 -4.792 91 HG3 LYS 11 HG1 LYS 11 -6.751 7.211 -3.556 92 HD2 LYS 11 HD2 LYS 11 -5.880 6.654 -5.743 93 HD3 LYS 11 HD1 LYS 11 -6.544 5.201 -5.010 94 HE2 LYS 11 HE2 LYS 11 -8.546 5.400 -6.366 95 HE3 LYS 11 HE1 LYS 11 -7.965 6.924 -7.039 96 HZ1 LYS 11 HZ1 LYS 11 -6.143 5.768 -8.064 97 HZ2 LYS 11 HZ2 LYS 11 -7.574 4.992 -8.524 98 HZ3 LYS 11 HZ3 LYS 11 -6.571 4.308 -7.358 99 H GLY 12 HN GLY 12 -10.444 3.473 -2.494 100 HA2 GLY 12 HA2 GLY 12 -11.700 2.216 -4.083 101 HA3 GLY 12 HA1 GLY 12 -10.265 2.135 -5.095 102 H TYR 13 HN TYR 13 -11.219 -0.182 -4.922 103 HA TYR 13 HA TYR 13 -10.313 -1.626 -2.604 104 HB2 TYR 13 HB2 TYR 13 -12.058 -2.116 -4.833 105 HB3 TYR 13 HB1 TYR 13 -10.871 -3.408 -4.699 106 HD1 TYR 13 HD1 TYR 13 -13.652 -1.701 -3.046 107 HD2 TYR 13 HD2 TYR 13 -10.855 -4.888 -2.819 108 HE1 TYR 13 HE1 TYR 13 -14.952 -2.686 -1.232 109 HE2 TYR 13 HE2 TYR 13 -12.126 -5.904 -1.007 110 HH TYR 13 HH TYR 13 -13.835 -5.119 0.809 111 H CYS 14 HN CYS 14 -8.488 -2.861 -2.491 112 HA CYS 14 HA CYS 14 -6.576 -2.324 -4.580 113 HB2 CYS 14 HB2 CYS 14 -6.146 -2.215 -1.982 114 HB3 CYS 14 HB1 CYS 14 -5.902 -3.946 -2.135 115 H VAL 15 HN VAL 15 -8.138 -3.665 -5.860 116 HA VAL 15 HA VAL 15 -7.513 -6.485 -5.747 117 HB VAL 15 HB VAL 15 -8.962 -6.694 -7.805 118 HG11 VAL 15 HG11 VAL 15 -11.086 -6.198 -6.666 119 HG12 VAL 15 HG12 VAL 15 -10.200 -5.270 -5.454 120 HG13 VAL 15 HG13 VAL 15 -9.931 -7.005 -5.605 121 HG21 VAL 15 HG21 VAL 15 -10.322 -4.765 -8.507 122 HG22 VAL 15 HG22 VAL 15 -8.603 -4.442 -8.735 123 HG23 VAL 15 HG23 VAL 15 -9.456 -3.742 -7.362 124 H ASN 16 HN ASN 16 -6.602 -3.642 -7.418 125 HA ASN 16 HA ASN 16 -4.746 -5.142 -9.113 126 HB2 ASN 16 HB2 ASN 16 -6.182 -3.743 -10.460 127 HB3 ASN 16 HB1 ASN 16 -5.893 -2.354 -9.424 128 HD21 ASN 16 HD21 ASN 16 -5.237 -1.156 -11.239 129 HD22 ASN 16 HD22 ASN 16 -3.702 -1.390 -11.988 130 H ASN 17 HN ASN 17 -2.833 -5.248 -8.348 131 HA ASN 17 HA ASN 17 -1.899 -3.830 -6.111 132 HB2 ASN 17 HB2 ASN 17 -0.328 -5.434 -8.132 133 HB3 ASN 17 HB1 ASN 17 0.356 -4.778 -6.654 134 HD21 ASN 17 HD21 ASN 17 -1.540 -7.284 -8.062 135 HD22 ASN 17 HD22 ASN 17 -1.774 -8.190 -6.615 136 H THR 18 HN THR 18 -1.628 -3.153 -9.501 137 HA THR 18 HA THR 18 0.481 -1.303 -9.397 138 HB THR 18 HB THR 18 -1.834 -1.377 -11.349 139 HG1 THR 18 HG1 THR 18 -1.046 -3.253 -11.968 140 HG21 THR 18 HG21 THR 18 1.080 -0.590 -11.662 141 HG22 THR 18 HG22 THR 18 -0.273 0.539 -11.588 142 HG23 THR 18 HG23 THR 18 -0.133 -0.583 -12.942 143 H ASN 19 HN ASN 19 -2.961 -1.036 -8.540 144 HA ASN 19 HA ASN 19 -3.189 1.816 -8.743 145 HB2 ASN 19 HB2 ASN 19 -5.205 0.309 -8.743 146 HB3 ASN 19 HB1 ASN 19 -4.803 -0.183 -7.104 147 HD21 ASN 19 HD21 ASN 19 -6.812 0.470 -6.339 148 HD22 ASN 19 HD22 ASN 19 -7.231 2.109 -6.073 149 H CYS 20 HN CYS 20 -2.707 -0.559 -6.203 150 HA CYS 20 HA CYS 20 -2.331 0.996 -3.911 151 HB2 CYS 20 HB2 CYS 20 -2.243 -1.658 -4.281 152 HB3 CYS 20 HB1 CYS 20 -0.601 -1.323 -4.584 153 H LYS 21 HN LYS 21 -0.212 -0.237 -6.334 154 HA LYS 21 HA LYS 21 2.136 0.336 -5.368 155 HB2 LYS 21 HB2 LYS 21 1.184 -0.727 -7.643 156 HB3 LYS 21 HB1 LYS 21 1.846 0.805 -8.218 157 HG2 LYS 21 HG2 LYS 21 4.005 0.241 -7.586 158 HG3 LYS 21 HG1 LYS 21 3.439 -1.200 -6.717 159 HD2 LYS 21 HD2 LYS 21 2.626 -2.186 -8.737 160 HD3 LYS 21 HD1 LYS 21 2.990 -0.726 -9.650 161 HE2 LYS 21 HE2 LYS 21 4.610 -2.401 -10.068 162 HE3 LYS 21 HE1 LYS 21 5.295 -1.014 -9.189 163 HZ1 LYS 21 HZ1 LYS 21 6.095 -3.196 -8.337 164 HZ2 LYS 21 HZ2 LYS 21 4.513 -3.609 -7.926 165 HZ3 LYS 21 HZ3 LYS 21 5.283 -2.330 -7.142 166 H ASN 22 HN ASN 22 0.184 2.188 -7.708 167 HA ASN 22 HA ASN 22 1.941 4.367 -8.017 168 HB2 ASN 22 HB2 ASN 22 -1.008 4.171 -8.593 169 HB3 ASN 22 HB1 ASN 22 -0.010 5.547 -9.044 170 HD21 ASN 22 HD21 ASN 22 -1.461 3.758 -10.777 171 HD22 ASN 22 HD22 ASN 22 -0.304 3.033 -11.832 172 H VAL 23 HN VAL 23 -0.792 3.844 -5.889 173 HA VAL 23 HA VAL 23 -0.781 6.499 -4.848 174 HB VAL 23 HB VAL 23 -1.743 3.942 -3.526 175 HG11 VAL 23 HG11 VAL 23 -3.080 5.428 -2.121 176 HG12 VAL 23 HG12 VAL 23 -2.426 6.818 -2.992 177 HG13 VAL 23 HG13 VAL 23 -1.368 5.836 -1.998 178 HG21 VAL 23 HG21 VAL 23 -2.864 4.290 -5.655 179 HG22 VAL 23 HG22 VAL 23 -3.234 5.958 -5.205 180 HG23 VAL 23 HG23 VAL 23 -3.976 4.622 -4.321 181 H CYS 24 HN CYS 24 0.726 3.507 -3.717 182 HA CYS 24 HA CYS 24 2.028 4.672 -1.538 183 HB2 CYS 24 HB2 CYS 24 2.635 2.237 -3.194 184 HB3 CYS 24 HB1 CYS 24 3.564 2.633 -1.758 185 H ARG 25 HN ARG 25 2.999 4.307 -4.888 186 HA ARG 25 HA ARG 25 5.599 5.298 -4.601 187 HB2 ARG 25 HB2 ARG 25 3.781 5.279 -7.005 188 HB3 ARG 25 HB1 ARG 25 5.488 5.709 -7.072 189 HG2 ARG 25 HG2 ARG 25 6.176 3.542 -6.456 190 HG3 ARG 25 HG1 ARG 25 4.553 3.093 -5.936 191 HD2 ARG 25 HD2 ARG 25 4.876 2.019 -7.988 192 HD3 ARG 25 HD1 ARG 25 3.850 3.430 -8.305 193 HE ARG 25 HE ARG 25 6.682 3.650 -8.636 194 HH11 ARG 25 HH11 ARG 25 3.487 3.469 -10.265 195 HH12 ARG 25 HH12 ARG 25 4.067 3.891 -11.780 196 HH21 ARG 25 HH21 ARG 25 7.478 4.257 -10.808 197 HH22 ARG 25 HH22 ARG 25 6.401 4.355 -12.121 198 H THR 26 HN THR 26 2.511 6.870 -4.950 199 HA THR 26 HA THR 26 3.734 9.458 -5.181 200 HB THR 26 HB THR 26 1.276 10.185 -4.776 201 HG1 THR 26 HG1 THR 26 0.787 7.596 -5.645 202 HG21 THR 26 HG21 THR 26 2.144 8.822 -7.306 203 HG22 THR 26 HG22 THR 26 2.446 10.511 -6.880 204 HG23 THR 26 HG23 THR 26 0.794 9.954 -7.184 205 H GLU 27 HN GLU 27 2.311 7.601 -2.676 206 HA GLU 27 HA GLU 27 2.407 9.602 -0.646 207 HB2 GLU 27 HB2 GLU 27 2.522 6.573 -0.324 208 HB3 GLU 27 HB1 GLU 27 2.530 7.665 1.054 209 HG2 GLU 27 HG2 GLU 27 0.361 8.586 0.239 210 HG3 GLU 27 HG1 GLU 27 0.410 7.340 -1.014 211 H GLY 28 HN GLY 28 4.830 7.321 -1.722 212 HA2 GLY 28 HA2 GLY 28 7.084 8.580 -1.773 213 HA3 GLY 28 HA1 GLY 28 6.812 8.719 -0.038 214 H PHE 29 HN PHE 29 6.152 5.994 -2.172 215 HA PHE 29 HA PHE 29 8.127 4.419 -0.696 216 HB2 PHE 29 HB2 PHE 29 5.329 3.623 -1.476 217 HB3 PHE 29 HB1 PHE 29 6.527 2.522 -0.810 218 HD1 PHE 29 HD1 PHE 29 4.265 5.301 -0.125 219 HD2 PHE 29 HD2 PHE 29 7.064 2.568 1.506 220 HE1 PHE 29 HE1 PHE 29 3.469 5.881 2.101 221 HE2 PHE 29 HE2 PHE 29 6.321 3.103 3.755 222 HZ PHE 29 HZ PHE 29 4.495 4.788 4.092 223 HA PRO 30 HA PRO 30 9.486 3.196 -4.737 224 HB2 PRO 30 HB2 PRO 30 10.133 0.551 -4.130 225 HB3 PRO 30 HB1 PRO 30 11.224 1.924 -3.911 226 HG2 PRO 30 HG2 PRO 30 9.611 0.483 -1.903 227 HG3 PRO 30 HG1 PRO 30 11.165 1.314 -1.723 228 HD2 PRO 30 HD2 PRO 30 8.842 2.327 -0.810 229 HD3 PRO 30 HD1 PRO 30 10.188 3.341 -1.343 230 H THR 31 HN THR 31 7.222 1.077 -2.963 231 HA THR 31 HA THR 31 5.759 0.637 -5.362 232 HB THR 31 HB THR 31 7.479 -1.015 -5.722 233 HG1 THR 31 HG1 THR 31 5.644 -2.798 -4.766 234 HG21 THR 31 HG21 THR 31 6.878 -1.969 -2.924 235 HG22 THR 31 HG22 THR 31 8.379 -1.259 -3.503 236 HG23 THR 31 HG23 THR 31 7.886 -2.861 -4.066 237 H GLY 32 HN GLY 32 3.929 -0.994 -4.834 238 HA2 GLY 32 HA2 GLY 32 3.117 -1.024 -2.108 239 HA3 GLY 32 HA1 GLY 32 2.101 -0.084 -3.219 240 H SER 33 HN SER 33 1.351 -2.445 -1.900 241 HA SER 33 HA SER 33 0.563 -4.050 -4.128 242 HB2 SER 33 HB2 SER 33 2.555 -4.922 -2.113 243 HB3 SER 33 HB1 SER 33 1.584 -6.160 -2.930 244 HG SER 33 HG SER 33 2.696 -4.220 -4.499 245 H CYS 34 HN CYS 34 -0.968 -5.741 -3.461 246 HA CYS 34 HA CYS 34 -2.679 -4.555 -1.438 247 HB2 CYS 34 HB2 CYS 34 -3.280 -6.578 -3.574 248 HB3 CYS 34 HB1 CYS 34 -4.455 -5.756 -2.552 249 H ASP 35 HN ASP 35 -3.104 -5.512 0.404 250 HA ASP 35 HA ASP 35 -2.250 -8.292 0.869 251 HB2 ASP 35 HB2 ASP 35 -0.708 -6.634 1.783 252 HB3 ASP 35 HB1 ASP 35 -2.049 -5.842 2.585 253 H PHE 36 HN PHE 36 -3.363 -9.158 2.901 254 HA PHE 36 HA PHE 36 -6.080 -8.156 3.061 255 HB2 PHE 36 HB2 PHE 36 -6.400 -10.102 1.811 256 HB3 PHE 36 HB1 PHE 36 -5.123 -10.968 2.647 257 HD1 PHE 36 HD1 PHE 36 -8.282 -9.236 3.863 258 HD2 PHE 36 HD2 PHE 36 -5.961 -12.813 3.664 259 HE1 PHE 36 HE1 PHE 36 -9.922 -10.364 5.252 260 HE2 PHE 36 HE2 PHE 36 -7.625 -13.957 5.081 261 HZ PHE 36 HZ PHE 36 -9.608 -12.734 5.878 262 H HIS 37 HN HIS 37 -6.404 -7.402 4.955 263 HA HIS 37 HA HIS 37 -5.844 -9.078 7.270 264 HB2 HIS 37 HB2 HIS 37 -4.547 -7.510 8.481 265 HB3 HIS 37 HB1 HIS 37 -3.986 -7.274 6.825 266 HD1 HIS 37 HD1 HIS 37 -5.617 -5.531 9.617 267 HD2 HIS 37 HD2 HIS 37 -4.869 -4.841 5.600 268 HE1 HIS 37 HE1 HIS 37 -5.988 -3.068 9.256 269 HE2 HIS 37 HE2 HIS 37 -4.972 -2.721 7.021 270 H VAL 38 HN VAL 38 -8.020 -7.681 5.484 271 HA VAL 38 HA VAL 38 -9.845 -7.007 7.562 272 HB VAL 38 HB VAL 38 -10.547 -4.861 6.272 273 HG11 VAL 38 HG11 VAL 38 -9.537 -4.682 8.481 274 HG12 VAL 38 HG12 VAL 38 -8.921 -3.403 7.419 275 HG13 VAL 38 HG13 VAL 38 -7.931 -4.810 7.763 276 HG21 VAL 38 HG21 VAL 38 -9.156 -5.215 4.252 277 HG22 VAL 38 HG22 VAL 38 -7.712 -5.061 5.266 278 HG23 VAL 38 HG23 VAL 38 -8.770 -3.685 5.054 279 H ALA 39 HN ALA 39 -12.038 -6.601 6.510 280 HA ALA 39 HA ALA 39 -12.496 -8.690 4.662 281 HB1 ALA 39 HB1 ALA 39 -14.846 -8.023 4.762 282 HB2 ALA 39 HB2 ALA 39 -14.402 -6.532 5.592 283 HB3 ALA 39 HB3 ALA 39 -14.155 -8.089 6.383 284 H GLY 40 HN GLY 40 -11.163 -8.089 3.040 285 HA2 GLY 40 HA2 GLY 40 -12.017 -7.404 0.699 286 HA3 GLY 40 HA1 GLY 40 -11.875 -5.798 1.421 287 H ARG 41 HN ARG 41 -10.152 -5.006 0.324 288 HA ARG 41 HA ARG 41 -7.634 -6.509 0.518 289 HB2 ARG 41 HB2 ARG 41 -8.536 -4.593 -1.593 290 HB3 ARG 41 HB1 ARG 41 -7.089 -5.595 -1.570 291 HG2 ARG 41 HG2 ARG 41 -9.834 -6.701 -1.512 292 HG3 ARG 41 HG1 ARG 41 -9.058 -6.341 -3.020 293 HD2 ARG 41 HD2 ARG 41 -8.075 -8.248 -0.865 294 HD3 ARG 41 HD1 ARG 41 -8.754 -8.718 -2.424 295 HE ARG 41 HE ARG 41 -6.728 -7.256 -3.224 296 HH11 ARG 41 HH11 ARG 41 -6.749 -9.644 -0.600 297 HH12 ARG 41 HH12 ARG 41 -5.163 -10.200 -0.860 298 HH21 ARG 41 HH21 ARG 41 -4.543 -8.070 -3.641 299 HH22 ARG 41 HH22 ARG 41 -3.846 -9.246 -2.634 300 H LYS 42 HN LYS 42 -6.034 -5.330 1.538 301 HA LYS 42 HA LYS 42 -6.506 -2.457 1.760 302 HB2 LYS 42 HB2 LYS 42 -6.465 -3.573 3.956 303 HB3 LYS 42 HB1 LYS 42 -4.899 -4.260 3.594 304 HG2 LYS 42 HG2 LYS 42 -4.632 -2.355 5.071 305 HG3 LYS 42 HG1 LYS 42 -3.932 -1.978 3.499 306 HD2 LYS 42 HD2 LYS 42 -5.856 -0.680 2.902 307 HD3 LYS 42 HD1 LYS 42 -6.685 -1.108 4.415 308 HE2 LYS 42 HE2 LYS 42 -5.854 1.030 4.799 309 HE3 LYS 42 HE1 LYS 42 -4.666 -0.053 5.526 310 HZ1 LYS 42 HZ1 LYS 42 -4.396 1.260 2.855 311 HZ2 LYS 42 HZ2 LYS 42 -3.245 0.240 3.475 312 HZ3 LYS 42 HZ3 LYS 42 -3.561 1.743 4.210 313 H CYS 43 HN CYS 43 -5.129 -1.219 0.788 314 HA CYS 43 HA CYS 43 -2.890 -2.238 -0.637 315 HB2 CYS 43 HB2 CYS 43 -4.191 -0.355 -1.444 316 HB3 CYS 43 HB1 CYS 43 -3.823 0.556 0.004 317 H TYR 44 HN TYR 44 -0.821 -2.339 0.007 318 HA TYR 44 HA TYR 44 0.006 -0.856 2.354 319 HB2 TYR 44 HB2 TYR 44 0.409 -3.739 1.735 320 HB3 TYR 44 HB1 TYR 44 1.604 -2.841 2.651 321 HD1 TYR 44 HD1 TYR 44 -1.860 -3.989 2.625 322 HD2 TYR 44 HD2 TYR 44 1.269 -2.338 4.920 323 HE1 TYR 44 HE1 TYR 44 -3.087 -4.530 4.673 324 HE2 TYR 44 HE2 TYR 44 0.066 -2.846 6.983 325 HH TYR 44 HH TYR 44 -2.290 -4.981 7.113 326 H CYS 45 HN CYS 45 1.932 -0.076 2.213 327 HA CYS 45 HA CYS 45 3.122 -0.043 -0.403 328 HB2 CYS 45 HB2 CYS 45 3.667 1.667 2.027 329 HB3 CYS 45 HB1 CYS 45 4.212 1.979 0.420 330 H TYR 46 HN TYR 46 5.191 -0.676 -0.723 331 HA TYR 46 HA TYR 46 6.417 -2.043 1.533 332 HB2 TYR 46 HB2 TYR 46 6.339 -2.784 -1.356 333 HB3 TYR 46 HB1 TYR 46 7.578 -3.428 -0.287 334 HD1 TYR 46 HD1 TYR 46 3.839 -3.196 -0.711 335 HD2 TYR 46 HD2 TYR 46 7.141 -5.322 0.942 336 HE1 TYR 46 HE1 TYR 46 2.354 -4.933 -0.045 337 HE2 TYR 46 HE2 TYR 46 5.666 -7.120 1.599 338 HH TYR 46 HH TYR 46 2.490 -7.409 0.431 339 H LYS 47 HN LYS 47 8.369 -1.673 2.035 340 HA LYS 47 HA LYS 47 10.086 -0.180 0.269 341 HB2 LYS 47 HB2 LYS 47 10.622 1.536 1.984 342 HB3 LYS 47 HB1 LYS 47 8.978 1.645 1.387 343 HG2 LYS 47 HG2 LYS 47 8.161 0.585 3.430 344 HG3 LYS 47 HG1 LYS 47 9.809 0.400 4.017 345 HD2 LYS 47 HD2 LYS 47 10.068 2.848 3.974 346 HD3 LYS 47 HD1 LYS 47 8.386 3.002 3.470 347 HE2 LYS 47 HE2 LYS 47 8.505 3.348 5.848 348 HE3 LYS 47 HE1 LYS 47 7.723 1.796 5.544 349 HZ1 LYS 47 HZ1 LYS 47 9.853 0.687 6.028 350 HZ2 LYS 47 HZ2 LYS 47 9.350 1.623 7.332 351 HZ3 LYS 47 HZ3 LYS 47 10.570 2.184 6.313 352 HA PRO 48 HA PRO 48 12.990 -2.873 2.208 353 HB2 PRO 48 HB2 PRO 48 15.290 -1.659 1.492 354 HB3 PRO 48 HB1 PRO 48 14.276 -2.499 0.299 355 HG2 PRO 48 HG2 PRO 48 14.495 0.413 0.834 356 HG3 PRO 48 HG1 PRO 48 14.367 -0.445 -0.716 357 HD2 PRO 48 HD2 PRO 48 12.235 0.770 0.467 358 HD3 PRO 48 HD1 PRO 48 12.103 -0.657 -0.579 359 H CYS 49 HN CYS 49 13.196 -2.960 4.206 360 HA CYS 49 HA CYS 49 14.621 -0.877 5.738 361 HB2 CYS 49 HB2 CYS 49 12.635 -3.007 6.573 362 HB3 CYS 49 HB1 CYS 49 13.506 -1.976 7.720 363 HA PRO 50 HA PRO 50 17.869 -3.902 6.120 364 HB2 PRO 50 HB2 PRO 50 18.318 -3.937 8.869 365 HB3 PRO 50 HB1 PRO 50 19.014 -2.732 7.768 366 HG2 PRO 50 HG2 PRO 50 16.635 -2.505 9.525 367 HG3 PRO 50 HG1 PRO 50 17.874 -1.294 9.135 368 HD2 PRO 50 HD2 PRO 50 15.462 -1.198 8.008 369 HD3 PRO 50 HD1 PRO 50 16.922 -0.768 7.102 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 15.600 -6.345 3.118 2 H2 ARG 1 HT2 ARG 1 16.093 -6.342 4.790 3 H3 ARG 1 HT3 ARG 1 15.380 -5.042 4.151 4 HA ARG 1 HA ARG 1 13.894 -7.565 4.372 5 HB2 ARG 1 HB2 ARG 1 14.734 -6.437 6.530 6 HB3 ARG 1 HB1 ARG 1 13.702 -5.097 6.064 7 HG2 ARG 1 HG2 ARG 1 11.751 -6.603 6.182 8 HG3 ARG 1 HG1 ARG 1 12.820 -7.895 6.743 9 HD2 ARG 1 HD2 ARG 1 12.186 -5.285 8.116 10 HD3 ARG 1 HD1 ARG 1 11.862 -6.921 8.699 11 HE ARG 1 HE ARG 1 14.653 -6.026 8.306 12 HH11 ARG 1 HH11 ARG 1 12.180 -7.106 10.598 13 HH12 ARG 1 HH12 ARG 1 13.295 -7.250 11.880 14 HH21 ARG 1 HH21 ARG 1 16.033 -6.173 9.863 15 HH22 ARG 1 HH22 ARG 1 15.677 -6.696 11.462 16 H MET 2 HN MET 2 11.684 -7.254 3.942 17 HA MET 2 HA MET 2 11.044 -4.825 2.416 18 HB2 MET 2 HB2 MET 2 9.890 -7.616 2.323 19 HB3 MET 2 HB1 MET 2 9.137 -6.230 1.549 20 HG2 MET 2 HG2 MET 2 11.085 -5.919 0.153 21 HG3 MET 2 HG1 MET 2 11.897 -7.249 0.971 22 HE1 MET 2 HE1 MET 2 12.403 -8.344 -1.434 23 HE2 MET 2 HE2 MET 2 11.571 -7.001 -2.217 24 HE3 MET 2 HE3 MET 2 11.152 -8.661 -2.638 25 H CYS 3 HN CYS 3 10.080 -3.458 3.494 26 HA CYS 3 HA CYS 3 8.473 -4.212 5.789 27 HB2 CYS 3 HB2 CYS 3 9.748 -1.751 4.797 28 HB3 CYS 3 HB1 CYS 3 8.341 -1.545 5.854 29 H LYS 4 HN LYS 4 6.400 -4.441 5.625 30 HA LYS 4 HA LYS 4 4.995 -3.340 3.315 31 HB2 LYS 4 HB2 LYS 4 4.948 -5.822 3.879 32 HB3 LYS 4 HB1 LYS 4 4.103 -5.401 5.355 33 HG2 LYS 4 HG2 LYS 4 2.189 -4.640 4.103 34 HG3 LYS 4 HG1 LYS 4 3.088 -4.781 2.602 35 HD2 LYS 4 HD2 LYS 4 1.638 -6.664 2.747 36 HD3 LYS 4 HD1 LYS 4 3.288 -7.203 2.955 37 HE2 LYS 4 HE2 LYS 4 2.044 -8.411 4.564 38 HE3 LYS 4 HE1 LYS 4 2.868 -7.149 5.470 39 HZ1 LYS 4 HZ1 LYS 4 0.727 -5.855 5.340 40 HZ2 LYS 4 HZ2 LYS 4 0.592 -7.329 6.180 41 HZ3 LYS 4 HZ3 LYS 4 0.028 -7.226 4.633 42 H THR 5 HN THR 5 4.185 -1.402 3.749 43 HA THR 5 HA THR 5 3.300 -0.679 6.459 44 HB THR 5 HB THR 5 4.538 0.841 4.195 45 HG1 THR 5 HG1 THR 5 5.453 -0.443 6.311 46 HG21 THR 5 HG21 THR 5 2.941 2.299 5.229 47 HG22 THR 5 HG22 THR 5 4.569 2.812 5.652 48 HG23 THR 5 HG23 THR 5 3.573 1.949 6.851 49 HA PRO 6 HA PRO 6 -0.755 -0.286 4.414 50 HB2 PRO 6 HB2 PRO 6 -2.043 0.992 6.444 51 HB3 PRO 6 HB1 PRO 6 -1.737 -0.759 6.410 52 HG2 PRO 6 HG2 PRO 6 -0.314 1.354 7.930 53 HG3 PRO 6 HG1 PRO 6 -0.693 -0.313 8.399 54 HD2 PRO 6 HD2 PRO 6 1.782 0.488 7.533 55 HD3 PRO 6 HD1 PRO 6 1.165 -1.168 7.373 56 H SER 7 HN SER 7 -1.201 1.111 2.927 57 HA SER 7 HA SER 7 -0.185 3.735 2.788 58 HB2 SER 7 HB2 SER 7 -2.509 2.714 1.225 59 HB3 SER 7 HB1 SER 7 -1.146 3.707 0.682 60 HG SER 7 HG SER 7 0.053 1.950 0.448 61 H GLY 8 HN GLY 8 -1.245 5.753 3.073 62 HA2 GLY 8 HA2 GLY 8 -3.465 5.659 4.895 63 HA3 GLY 8 HA1 GLY 8 -2.475 7.048 4.471 64 H LYS 9 HN LYS 9 -2.789 6.857 1.577 65 HA LYS 9 HA LYS 9 -5.399 8.015 1.700 66 HB2 LYS 9 HB2 LYS 9 -5.006 9.003 -0.495 67 HB3 LYS 9 HB1 LYS 9 -3.909 9.456 0.805 68 HG2 LYS 9 HG2 LYS 9 -2.770 7.312 -0.463 69 HG3 LYS 9 HG1 LYS 9 -3.272 8.382 -1.758 70 HD2 LYS 9 HD2 LYS 9 -2.386 10.199 -0.069 71 HD3 LYS 9 HD1 LYS 9 -1.537 8.743 0.514 72 HE2 LYS 9 HE2 LYS 9 -0.789 8.280 -1.605 73 HE3 LYS 9 HE1 LYS 9 -1.539 9.753 -2.227 74 HZ1 LYS 9 HZ1 LYS 9 -0.153 11.141 -0.747 75 HZ2 LYS 9 HZ2 LYS 9 0.972 10.151 -1.547 76 HZ3 LYS 9 HZ3 LYS 9 0.428 9.773 -0.001 77 H PHE 10 HN PHE 10 -4.393 5.194 1.156 78 HA PHE 10 HA PHE 10 -5.874 4.564 -1.227 79 HB2 PHE 10 HB2 PHE 10 -3.742 3.383 -0.383 80 HB3 PHE 10 HB1 PHE 10 -4.911 2.514 0.633 81 HD1 PHE 10 HD1 PHE 10 -6.527 0.983 -0.308 82 HD2 PHE 10 HD2 PHE 10 -3.854 3.239 -2.606 83 HE1 PHE 10 HE1 PHE 10 -7.102 -0.427 -2.240 84 HE2 PHE 10 HE2 PHE 10 -4.381 1.817 -4.638 85 HZ PHE 10 HZ PHE 10 -6.023 -0.011 -4.417 86 H LYS 11 HN LYS 11 -7.840 4.305 -1.218 87 HA LYS 11 HA LYS 11 -9.222 2.820 0.897 88 HB2 LYS 11 HB2 LYS 11 -10.372 5.163 -0.645 89 HB3 LYS 11 HB1 LYS 11 -11.250 4.152 0.473 90 HG2 LYS 11 HG2 LYS 11 -10.840 6.049 1.669 91 HG3 LYS 11 HG1 LYS 11 -9.565 4.937 2.218 92 HD2 LYS 11 HD2 LYS 11 -8.653 7.158 1.926 93 HD3 LYS 11 HD1 LYS 11 -8.013 6.096 0.675 94 HE2 LYS 11 HE2 LYS 11 -9.659 7.002 -0.922 95 HE3 LYS 11 HE1 LYS 11 -10.283 8.064 0.342 96 HZ1 LYS 11 HZ1 LYS 11 -7.524 8.049 -0.698 97 HZ2 LYS 11 HZ2 LYS 11 -8.133 9.132 0.452 98 HZ3 LYS 11 HZ3 LYS 11 -8.708 9.175 -1.150 99 H GLY 12 HN GLY 12 -11.145 1.697 0.014 100 HA2 GLY 12 HA2 GLY 12 -12.478 1.082 -1.837 101 HA3 GLY 12 HA1 GLY 12 -11.149 1.522 -2.898 102 H TYR 13 HN TYR 13 -10.738 -0.302 -3.937 103 HA TYR 13 HA TYR 13 -10.186 -2.649 -2.317 104 HB2 TYR 13 HB2 TYR 13 -11.838 -2.346 -4.732 105 HB3 TYR 13 HB1 TYR 13 -10.836 -3.788 -4.617 106 HD1 TYR 13 HD1 TYR 13 -13.724 -2.014 -3.259 107 HD2 TYR 13 HD2 TYR 13 -11.160 -5.364 -2.853 108 HE1 TYR 13 HE1 TYR 13 -15.343 -3.055 -1.738 109 HE2 TYR 13 HE2 TYR 13 -12.708 -6.427 -1.359 110 HH TYR 13 HH TYR 13 -15.931 -5.339 -0.937 111 H CYS 14 HN CYS 14 -8.127 -3.008 -2.303 112 HA CYS 14 HA CYS 14 -6.517 -2.407 -4.608 113 HB2 CYS 14 HB2 CYS 14 -5.801 -2.200 -2.111 114 HB3 CYS 14 HB1 CYS 14 -5.580 -3.941 -2.189 115 H VAL 15 HN VAL 15 -8.112 -3.897 -5.662 116 HA VAL 15 HA VAL 15 -7.556 -6.669 -5.620 117 HB VAL 15 HB VAL 15 -8.721 -6.773 -7.862 118 HG11 VAL 15 HG11 VAL 15 -10.939 -6.114 -6.999 119 HG12 VAL 15 HG12 VAL 15 -10.139 -5.310 -5.643 120 HG13 VAL 15 HG13 VAL 15 -10.000 -7.053 -5.842 121 HG21 VAL 15 HG21 VAL 15 -9.060 -3.796 -7.443 122 HG22 VAL 15 HG22 VAL 15 -9.862 -4.754 -8.688 123 HG23 VAL 15 HG23 VAL 15 -8.108 -4.558 -8.716 124 H ASN 16 HN ASN 16 -6.165 -3.974 -7.264 125 HA ASN 16 HA ASN 16 -4.263 -5.743 -8.634 126 HB2 ASN 16 HB2 ASN 16 -5.640 -4.773 -10.343 127 HB3 ASN 16 HB1 ASN 16 -5.558 -3.187 -9.602 128 HD21 ASN 16 HD21 ASN 16 -4.928 -2.351 -11.608 129 HD22 ASN 16 HD22 ASN 16 -3.338 -2.538 -12.237 130 H ASN 17 HN ASN 17 -2.356 -5.595 -8.012 131 HA ASN 17 HA ASN 17 -1.345 -3.996 -5.979 132 HB2 ASN 17 HB2 ASN 17 0.113 -5.534 -8.128 133 HB3 ASN 17 HB1 ASN 17 0.910 -4.787 -6.752 134 HD21 ASN 17 HD21 ASN 17 0.640 -7.618 -7.611 135 HD22 ASN 17 HD22 ASN 17 -0.037 -8.416 -6.237 136 H THR 18 HN THR 18 -1.494 -3.398 -9.379 137 HA THR 18 HA THR 18 0.525 -1.449 -9.482 138 HB THR 18 HB THR 18 -1.856 -1.787 -11.318 139 HG1 THR 18 HG1 THR 18 -0.830 -3.642 -11.598 140 HG21 THR 18 HG21 THR 18 0.863 -0.524 -11.797 141 HG22 THR 18 HG22 THR 18 -0.652 0.361 -11.632 142 HG23 THR 18 HG23 THR 18 -0.408 -0.722 -13.003 143 H ASN 19 HN ASN 19 -2.867 -1.235 -8.439 144 HA ASN 19 HA ASN 19 -3.028 1.615 -8.718 145 HB2 ASN 19 HB2 ASN 19 -5.047 0.025 -8.674 146 HB3 ASN 19 HB1 ASN 19 -4.686 -0.201 -6.959 147 HD21 ASN 19 HD21 ASN 19 -6.708 0.645 -6.351 148 HD22 ASN 19 HD22 ASN 19 -6.996 2.345 -6.451 149 H CYS 20 HN CYS 20 -2.409 -0.802 -6.290 150 HA CYS 20 HA CYS 20 -2.092 0.718 -3.966 151 HB2 CYS 20 HB2 CYS 20 -1.925 -1.875 -4.349 152 HB3 CYS 20 HB1 CYS 20 -0.291 -1.517 -4.740 153 H LYS 21 HN LYS 21 0.113 -0.396 -6.429 154 HA LYS 21 HA LYS 21 2.338 0.410 -5.418 155 HB2 LYS 21 HB2 LYS 21 1.664 -0.867 -7.672 156 HB3 LYS 21 HB1 LYS 21 2.080 0.716 -8.335 157 HG2 LYS 21 HG2 LYS 21 4.304 0.563 -7.643 158 HG3 LYS 21 HG1 LYS 21 3.923 -0.826 -6.615 159 HD2 LYS 21 HD2 LYS 21 5.068 -1.503 -8.703 160 HD3 LYS 21 HD1 LYS 21 3.459 -2.203 -8.545 161 HE2 LYS 21 HE2 LYS 21 2.594 -0.404 -10.031 162 HE3 LYS 21 HE1 LYS 21 4.252 0.164 -10.240 163 HZ1 LYS 21 HZ1 LYS 21 3.221 -2.521 -10.984 164 HZ2 LYS 21 HZ2 LYS 21 4.811 -1.995 -11.206 165 HZ3 LYS 21 HZ3 LYS 21 3.548 -1.270 -12.067 166 H ASN 22 HN ASN 22 0.183 2.079 -7.713 167 HA ASN 22 HA ASN 22 1.660 4.428 -8.086 168 HB2 ASN 22 HB2 ASN 22 -1.323 4.002 -8.321 169 HB3 ASN 22 HB1 ASN 22 -0.494 5.463 -8.828 170 HD21 ASN 22 HD21 ASN 22 -2.039 3.672 -10.431 171 HD22 ASN 22 HD22 ASN 22 -0.996 3.079 -11.674 172 H VAL 23 HN VAL 23 -1.012 3.730 -5.850 173 HA VAL 23 HA VAL 23 -1.070 6.269 -4.699 174 HB VAL 23 HB VAL 23 -1.886 3.617 -3.468 175 HG11 VAL 23 HG11 VAL 23 -3.249 4.985 -1.900 176 HG12 VAL 23 HG12 VAL 23 -2.512 6.429 -2.581 177 HG13 VAL 23 HG13 VAL 23 -1.516 5.261 -1.720 178 HG21 VAL 23 HG21 VAL 23 -3.440 5.723 -4.982 179 HG22 VAL 23 HG22 VAL 23 -4.208 4.496 -4.011 180 HG23 VAL 23 HG23 VAL 23 -3.227 4.011 -5.410 181 H CYS 24 HN CYS 24 0.745 3.385 -3.758 182 HA CYS 24 HA CYS 24 2.004 4.502 -1.515 183 HB2 CYS 24 HB2 CYS 24 2.715 2.214 -3.312 184 HB3 CYS 24 HB1 CYS 24 3.711 2.609 -1.926 185 H ARG 25 HN ARG 25 2.924 4.468 -4.891 186 HA ARG 25 HA ARG 25 5.441 5.652 -4.449 187 HB2 ARG 25 HB2 ARG 25 3.716 5.505 -6.920 188 HB3 ARG 25 HB1 ARG 25 5.371 6.114 -6.920 189 HG2 ARG 25 HG2 ARG 25 6.286 4.038 -6.451 190 HG3 ARG 25 HG1 ARG 25 4.781 3.419 -5.774 191 HD2 ARG 25 HD2 ARG 25 5.051 2.336 -7.836 192 HD3 ARG 25 HD1 ARG 25 3.816 3.563 -8.054 193 HE ARG 25 HE ARG 25 6.573 4.022 -8.809 194 HH11 ARG 25 HH11 ARG 25 3.118 3.977 -9.729 195 HH12 ARG 25 HH12 ARG 25 3.329 4.679 -11.234 196 HH21 ARG 25 HH21 ARG 25 6.884 5.003 -10.978 197 HH22 ARG 25 HH22 ARG 25 5.548 5.280 -11.992 198 H THR 26 HN THR 26 2.227 6.854 -4.723 199 HA THR 26 HA THR 26 2.991 9.623 -4.940 200 HB THR 26 HB THR 26 0.280 8.462 -4.180 201 HG1 THR 26 HG1 THR 26 1.080 7.696 -6.253 202 HG21 THR 26 HG21 THR 26 0.509 10.878 -3.751 203 HG22 THR 26 HG22 THR 26 -0.612 10.566 -5.077 204 HG23 THR 26 HG23 THR 26 1.026 11.125 -5.421 205 H GLU 27 HN GLU 27 2.185 7.349 -2.358 206 HA GLU 27 HA GLU 27 2.175 9.184 -0.201 207 HB2 GLU 27 HB2 GLU 27 2.757 6.225 -0.345 208 HB3 GLU 27 HB1 GLU 27 2.790 7.109 1.179 209 HG2 GLU 27 HG2 GLU 27 0.397 7.103 -0.611 210 HG3 GLU 27 HG1 GLU 27 0.569 5.843 0.562 211 H GLY 28 HN GLY 28 4.731 7.335 -1.710 212 HA2 GLY 28 HA2 GLY 28 6.876 8.693 -1.864 213 HA3 GLY 28 HA1 GLY 28 6.710 8.845 -0.116 214 H PHE 29 HN PHE 29 5.974 6.011 -2.020 215 HA PHE 29 HA PHE 29 8.157 4.593 -0.679 216 HB2 PHE 29 HB2 PHE 29 5.381 3.661 -1.370 217 HB3 PHE 29 HB1 PHE 29 6.645 2.575 -0.832 218 HD1 PHE 29 HD1 PHE 29 7.220 2.441 1.478 219 HD2 PHE 29 HD2 PHE 29 4.417 5.294 0.105 220 HE1 PHE 29 HE1 PHE 29 6.505 2.825 3.792 221 HE2 PHE 29 HE2 PHE 29 3.668 5.710 2.391 222 HZ PHE 29 HZ PHE 29 4.716 4.470 4.266 223 HA PRO 30 HA PRO 30 9.579 3.480 -4.717 224 HB2 PRO 30 HB2 PRO 30 10.260 0.822 -4.157 225 HB3 PRO 30 HB1 PRO 30 11.336 2.208 -3.948 226 HG2 PRO 30 HG2 PRO 30 9.800 0.717 -1.925 227 HG3 PRO 30 HG1 PRO 30 11.319 1.615 -1.762 228 HD2 PRO 30 HD2 PRO 30 8.954 2.510 -0.823 229 HD3 PRO 30 HD1 PRO 30 10.257 3.590 -1.339 230 H THR 31 HN THR 31 7.455 1.126 -3.043 231 HA THR 31 HA THR 31 5.981 0.771 -5.457 232 HB THR 31 HB THR 31 7.796 -0.784 -5.867 233 HG1 THR 31 HG1 THR 31 6.417 -2.862 -5.519 234 HG21 THR 31 HG21 THR 31 7.154 -1.915 -3.143 235 HG22 THR 31 HG22 THR 31 8.644 -1.120 -3.637 236 HG23 THR 31 HG23 THR 31 8.226 -2.701 -4.304 237 H GLY 32 HN GLY 32 4.302 -1.073 -4.958 238 HA2 GLY 32 HA2 GLY 32 3.452 -1.148 -2.231 239 HA3 GLY 32 HA1 GLY 32 2.403 -0.222 -3.313 240 H SER 33 HN SER 33 1.761 -2.596 -1.966 241 HA SER 33 HA SER 33 0.868 -4.195 -4.158 242 HB2 SER 33 HB2 SER 33 2.940 -5.021 -2.240 243 HB3 SER 33 HB1 SER 33 1.907 -6.305 -2.901 244 HG SER 33 HG SER 33 3.065 -4.399 -4.578 245 H CYS 34 HN CYS 34 -0.759 -5.829 -3.406 246 HA CYS 34 HA CYS 34 -2.352 -4.468 -1.435 247 HB2 CYS 34 HB2 CYS 34 -3.115 -6.711 -3.290 248 HB3 CYS 34 HB1 CYS 34 -4.187 -5.680 -2.341 249 H ASP 35 HN ASP 35 -3.608 -5.629 0.085 250 HA ASP 35 HA ASP 35 -2.537 -8.150 1.084 251 HB2 ASP 35 HB2 ASP 35 -1.191 -6.378 1.957 252 HB3 ASP 35 HB1 ASP 35 -2.619 -5.490 2.433 253 H PHE 36 HN PHE 36 -3.996 -8.989 2.764 254 HA PHE 36 HA PHE 36 -6.682 -7.881 2.632 255 HB2 PHE 36 HB2 PHE 36 -6.407 -9.996 1.256 256 HB3 PHE 36 HB1 PHE 36 -5.926 -10.827 2.721 257 HD1 PHE 36 HD1 PHE 36 -8.294 -11.218 0.663 258 HD2 PHE 36 HD2 PHE 36 -8.046 -9.606 4.585 259 HE1 PHE 36 HE1 PHE 36 -10.658 -11.816 1.059 260 HE2 PHE 36 HE2 PHE 36 -10.384 -10.180 5.000 261 HZ PHE 36 HZ PHE 36 -11.708 -11.309 3.229 262 H HIS 37 HN HIS 37 -6.840 -7.057 4.571 263 HA HIS 37 HA HIS 37 -6.365 -8.826 6.866 264 HB2 HIS 37 HB2 HIS 37 -4.965 -7.294 8.049 265 HB3 HIS 37 HB1 HIS 37 -4.479 -7.094 6.360 266 HD1 HIS 37 HD1 HIS 37 -5.981 -5.269 9.167 267 HD2 HIS 37 HD2 HIS 37 -5.204 -4.668 5.143 268 HE1 HIS 37 HE1 HIS 37 -6.190 -2.789 8.792 269 HE2 HIS 37 HE2 HIS 37 -5.136 -2.550 6.550 270 H VAL 38 HN VAL 38 -8.506 -7.367 5.153 271 HA VAL 38 HA VAL 38 -10.325 -6.706 7.232 272 HB VAL 38 HB VAL 38 -10.958 -4.514 5.977 273 HG11 VAL 38 HG11 VAL 38 -9.956 -4.378 8.172 274 HG12 VAL 38 HG12 VAL 38 -9.276 -3.111 7.123 275 HG13 VAL 38 HG13 VAL 38 -8.347 -4.561 7.469 276 HG21 VAL 38 HG21 VAL 38 -9.634 -4.805 3.943 277 HG22 VAL 38 HG22 VAL 38 -8.167 -4.881 4.914 278 HG23 VAL 38 HG23 VAL 38 -9.053 -3.369 4.811 279 H ALA 39 HN ALA 39 -12.491 -6.349 6.163 280 HA ALA 39 HA ALA 39 -13.025 -8.408 4.399 281 HB1 ALA 39 HB1 ALA 39 -14.730 -7.390 5.835 282 HB2 ALA 39 HB2 ALA 39 -15.264 -7.439 4.154 283 HB3 ALA 39 HB3 ALA 39 -14.685 -5.925 4.851 284 H GLY 40 HN GLY 40 -12.145 -5.131 3.792 285 HA2 GLY 40 HA2 GLY 40 -12.592 -5.374 0.931 286 HA3 GLY 40 HA1 GLY 40 -12.033 -3.934 1.779 287 H ARG 41 HN ARG 41 -10.484 -4.004 -0.040 288 HA ARG 41 HA ARG 41 -8.281 -5.820 0.586 289 HB2 ARG 41 HB2 ARG 41 -9.194 -4.811 -2.099 290 HB3 ARG 41 HB1 ARG 41 -7.575 -5.499 -1.812 291 HG2 ARG 41 HG2 ARG 41 -8.404 -7.469 -1.232 292 HG3 ARG 41 HG1 ARG 41 -10.129 -6.997 -1.156 293 HD2 ARG 41 HD2 ARG 41 -9.806 -8.303 -3.110 294 HD3 ARG 41 HD1 ARG 41 -9.745 -6.644 -3.698 295 HE ARG 41 HE ARG 41 -7.264 -6.876 -3.536 296 HH11 ARG 41 HH11 ARG 41 -9.265 -9.763 -4.051 297 HH12 ARG 41 HH12 ARG 41 -8.092 -10.593 -4.956 298 HH21 ARG 41 HH21 ARG 41 -5.659 -8.002 -4.786 299 HH22 ARG 41 HH22 ARG 41 -5.956 -9.549 -5.402 300 H LYS 42 HN LYS 42 -6.508 -4.913 1.299 301 HA LYS 42 HA LYS 42 -6.515 -2.010 1.233 302 HB2 LYS 42 HB2 LYS 42 -6.768 -3.115 3.444 303 HB3 LYS 42 HB1 LYS 42 -5.240 -3.914 3.226 304 HG2 LYS 42 HG2 LYS 42 -5.090 -1.982 4.729 305 HG3 LYS 42 HG1 LYS 42 -4.070 -1.788 3.308 306 HD2 LYS 42 HD2 LYS 42 -5.547 -0.221 2.343 307 HD3 LYS 42 HD1 LYS 42 -6.835 -0.572 3.515 308 HE2 LYS 42 HE2 LYS 42 -5.547 0.324 5.249 309 HE3 LYS 42 HE1 LYS 42 -4.135 0.576 4.216 310 HZ1 LYS 42 HZ1 LYS 42 -5.168 2.696 4.406 311 HZ2 LYS 42 HZ2 LYS 42 -6.727 2.102 4.205 312 HZ3 LYS 42 HZ3 LYS 42 -5.685 2.183 2.897 313 H CYS 43 HN CYS 43 -4.619 -0.952 0.877 314 HA CYS 43 HA CYS 43 -2.648 -2.329 -0.743 315 HB2 CYS 43 HB2 CYS 43 -3.712 -0.437 -1.734 316 HB3 CYS 43 HB1 CYS 43 -3.443 0.531 -0.302 317 H TYR 44 HN TYR 44 -0.557 -2.421 -0.125 318 HA TYR 44 HA TYR 44 0.264 -0.959 2.227 319 HB2 TYR 44 HB2 TYR 44 0.589 -3.885 1.697 320 HB3 TYR 44 HB1 TYR 44 1.732 -2.999 2.692 321 HD1 TYR 44 HD1 TYR 44 -1.930 -3.533 2.387 322 HD2 TYR 44 HD2 TYR 44 1.380 -2.970 4.958 323 HE1 TYR 44 HE1 TYR 44 -3.370 -3.957 4.289 324 HE2 TYR 44 HE2 TYR 44 -0.044 -3.385 6.902 325 HH TYR 44 HH TYR 44 -2.868 -4.863 6.653 326 H CYS 45 HN CYS 45 2.123 -0.165 2.077 327 HA CYS 45 HA CYS 45 3.375 -0.145 -0.498 328 HB2 CYS 45 HB2 CYS 45 3.871 1.484 1.990 329 HB3 CYS 45 HB1 CYS 45 4.496 1.843 0.423 330 H TYR 46 HN TYR 46 5.449 -0.732 -0.850 331 HA TYR 46 HA TYR 46 6.719 -2.178 1.333 332 HB2 TYR 46 HB2 TYR 46 6.639 -2.751 -1.581 333 HB3 TYR 46 HB1 TYR 46 7.930 -3.398 -0.574 334 HD1 TYR 46 HD1 TYR 46 7.623 -5.436 0.409 335 HD2 TYR 46 HD2 TYR 46 4.154 -3.253 -0.768 336 HE1 TYR 46 HE1 TYR 46 6.231 -7.336 0.987 337 HE2 TYR 46 HE2 TYR 46 2.770 -5.067 -0.191 338 HH TYR 46 HH TYR 46 3.026 -7.606 -0.020 339 H LYS 47 HN LYS 47 8.659 -1.781 1.859 340 HA LYS 47 HA LYS 47 10.327 -0.121 0.190 341 HB2 LYS 47 HB2 LYS 47 10.807 1.504 2.008 342 HB3 LYS 47 HB1 LYS 47 9.156 1.588 1.421 343 HG2 LYS 47 HG2 LYS 47 8.394 0.351 3.396 344 HG3 LYS 47 HG1 LYS 47 10.055 0.224 3.967 345 HD2 LYS 47 HD2 LYS 47 10.200 2.652 4.120 346 HD3 LYS 47 HD1 LYS 47 8.541 2.800 3.542 347 HE2 LYS 47 HE2 LYS 47 8.542 3.009 5.944 348 HE3 LYS 47 HE1 LYS 47 7.804 1.468 5.512 349 HZ1 LYS 47 HZ1 LYS 47 9.923 0.364 6.035 350 HZ2 LYS 47 HZ2 LYS 47 9.338 1.216 7.364 351 HZ3 LYS 47 HZ3 LYS 47 10.602 1.851 6.445 352 HA PRO 48 HA PRO 48 13.353 -2.767 2.011 353 HB2 PRO 48 HB2 PRO 48 15.601 -1.405 1.384 354 HB3 PRO 48 HB1 PRO 48 14.649 -2.252 0.147 355 HG2 PRO 48 HG2 PRO 48 14.738 0.643 0.774 356 HG3 PRO 48 HG1 PRO 48 14.618 -0.172 -0.798 357 HD2 PRO 48 HD2 PRO 48 12.474 0.933 0.487 358 HD3 PRO 48 HD1 PRO 48 12.366 -0.417 -0.659 359 H CYS 49 HN CYS 49 13.405 -2.887 4.033 360 HA CYS 49 HA CYS 49 14.684 -0.796 5.669 361 HB2 CYS 49 HB2 CYS 49 12.848 -3.117 6.343 362 HB3 CYS 49 HB1 CYS 49 13.588 -2.091 7.587 363 HA PRO 50 HA PRO 50 18.153 -3.673 6.216 364 HB2 PRO 50 HB2 PRO 50 18.244 -4.089 8.975 365 HB3 PRO 50 HB1 PRO 50 18.998 -2.712 8.144 366 HG2 PRO 50 HG2 PRO 50 16.401 -2.837 9.573 367 HG3 PRO 50 HG1 PRO 50 17.604 -1.532 9.522 368 HD2 PRO 50 HD2 PRO 50 15.373 -1.352 8.100 369 HD3 PRO 50 HD1 PRO 50 16.919 -0.787 7.446 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 15.055 -5.417 4.300 2 H2 ARG 1 HT2 ARG 1 15.215 -6.826 3.398 3 H3 ARG 1 HT3 ARG 1 15.570 -6.757 5.073 4 HA ARG 1 HA ARG 1 13.270 -7.698 4.513 5 HB2 ARG 1 HB2 ARG 1 13.724 -5.373 6.364 6 HB3 ARG 1 HB1 ARG 1 12.189 -6.216 6.291 7 HG2 ARG 1 HG2 ARG 1 13.185 -8.232 7.085 8 HG3 ARG 1 HG1 ARG 1 14.807 -7.546 6.935 9 HD2 ARG 1 HD2 ARG 1 14.362 -5.940 8.637 10 HD3 ARG 1 HD1 ARG 1 12.669 -6.385 8.705 11 HE ARG 1 HE ARG 1 13.248 -8.461 9.690 12 HH11 ARG 1 HH11 ARG 1 16.048 -6.297 9.426 13 HH12 ARG 1 HH12 ARG 1 16.888 -6.924 10.737 14 HH21 ARG 1 HH21 ARG 1 14.420 -9.395 11.551 15 HH22 ARG 1 HH22 ARG 1 15.937 -8.751 11.985 16 H MET 2 HN MET 2 11.114 -7.187 4.134 17 HA MET 2 HA MET 2 10.662 -4.790 2.495 18 HB2 MET 2 HB2 MET 2 9.407 -7.539 2.440 19 HB3 MET 2 HB1 MET 2 8.721 -6.144 1.624 20 HG2 MET 2 HG2 MET 2 10.645 -5.944 0.233 21 HG3 MET 2 HG1 MET 2 11.463 -7.236 1.111 22 HE1 MET 2 HE1 MET 2 11.167 -7.157 -2.085 23 HE2 MET 2 HE2 MET 2 10.737 -8.834 -2.419 24 HE3 MET 2 HE3 MET 2 11.974 -8.464 -1.218 25 H CYS 3 HN CYS 3 10.046 -3.414 3.830 26 HA CYS 3 HA CYS 3 8.367 -4.043 6.057 27 HB2 CYS 3 HB2 CYS 3 9.684 -1.622 4.976 28 HB3 CYS 3 HB1 CYS 3 8.398 -1.408 6.139 29 H LYS 4 HN LYS 4 6.311 -4.348 5.827 30 HA LYS 4 HA LYS 4 4.874 -3.145 3.615 31 HB2 LYS 4 HB2 LYS 4 4.681 -5.605 4.200 32 HB3 LYS 4 HB1 LYS 4 3.889 -5.120 5.691 33 HG2 LYS 4 HG2 LYS 4 2.071 -4.092 4.391 34 HG3 LYS 4 HG1 LYS 4 2.929 -4.507 2.923 35 HD2 LYS 4 HD2 LYS 4 1.164 -6.077 3.262 36 HD3 LYS 4 HD1 LYS 4 2.722 -6.856 3.425 37 HE2 LYS 4 HE2 LYS 4 2.552 -6.893 5.843 38 HE3 LYS 4 HE1 LYS 4 1.068 -5.941 5.790 39 HZ1 LYS 4 HZ1 LYS 4 0.739 -8.428 6.120 40 HZ2 LYS 4 HZ2 LYS 4 1.177 -8.620 4.475 41 HZ3 LYS 4 HZ3 LYS 4 -0.119 -7.718 4.891 42 H THR 5 HN THR 5 4.092 -1.219 3.970 43 HA THR 5 HA THR 5 3.302 -0.357 6.658 44 HB THR 5 HB THR 5 4.344 1.074 4.236 45 HG1 THR 5 HG1 THR 5 5.468 -0.229 6.111 46 HG21 THR 5 HG21 THR 5 3.611 2.238 6.942 47 HG22 THR 5 HG22 THR 5 2.818 2.541 5.377 48 HG23 THR 5 HG23 THR 5 4.466 3.086 5.639 49 HA PRO 6 HA PRO 6 -0.826 -0.091 4.682 50 HB2 PRO 6 HB2 PRO 6 -1.846 1.406 6.889 51 HB3 PRO 6 HB1 PRO 6 -2.042 -0.324 6.519 52 HG2 PRO 6 HG2 PRO 6 -0.637 0.692 8.685 53 HG3 PRO 6 HG1 PRO 6 -0.547 -0.958 8.052 54 HD2 PRO 6 HD2 PRO 6 1.364 1.281 7.697 55 HD3 PRO 6 HD1 PRO 6 1.634 -0.472 7.693 56 H SER 7 HN SER 7 -0.909 1.230 3.018 57 HA SER 7 HA SER 7 -0.132 3.832 2.730 58 HB2 SER 7 HB2 SER 7 -2.558 2.780 1.376 59 HB3 SER 7 HB1 SER 7 -1.144 3.597 0.689 60 HG SER 7 HG SER 7 -0.145 1.802 0.533 61 H GLY 8 HN GLY 8 -1.210 5.783 2.879 62 HA2 GLY 8 HA2 GLY 8 -3.521 5.737 4.700 63 HA3 GLY 8 HA1 GLY 8 -2.360 7.039 4.580 64 H LYS 9 HN LYS 9 -2.762 6.756 1.376 65 HA LYS 9 HA LYS 9 -5.155 8.416 1.642 66 HB2 LYS 9 HB2 LYS 9 -4.256 9.560 -0.462 67 HB3 LYS 9 HB1 LYS 9 -3.559 10.020 1.109 68 HG2 LYS 9 HG2 LYS 9 -1.704 9.755 -0.186 69 HG3 LYS 9 HG1 LYS 9 -1.893 8.145 0.431 70 HD2 LYS 9 HD2 LYS 9 -1.873 7.469 -1.569 71 HD3 LYS 9 HD1 LYS 9 -3.514 8.137 -1.723 72 HE2 LYS 9 HE2 LYS 9 -2.124 8.872 -3.534 73 HE3 LYS 9 HE1 LYS 9 -2.522 10.240 -2.467 74 HZ1 LYS 9 HZ1 LYS 9 0.029 8.698 -2.453 75 HZ2 LYS 9 HZ2 LYS 9 -0.329 9.946 -1.398 76 HZ3 LYS 9 HZ3 LYS 9 -0.124 10.281 -3.032 77 H PHE 10 HN PHE 10 -3.990 5.806 0.508 78 HA PHE 10 HA PHE 10 -5.646 5.252 -1.763 79 HB2 PHE 10 HB2 PHE 10 -3.704 3.800 -0.742 80 HB3 PHE 10 HB1 PHE 10 -4.953 3.215 0.333 81 HD1 PHE 10 HD1 PHE 10 -6.770 1.774 -0.499 82 HD2 PHE 10 HD2 PHE 10 -3.729 3.302 -2.954 83 HE1 PHE 10 HE1 PHE 10 -7.411 0.139 -2.229 84 HE2 PHE 10 HE2 PHE 10 -4.327 1.665 -4.759 85 HZ PHE 10 HZ PHE 10 -6.189 0.084 -4.370 86 H LYS 11 HN LYS 11 -7.582 4.563 -2.021 87 HA LYS 11 HA LYS 11 -9.156 3.715 0.160 88 HB2 LYS 11 HB2 LYS 11 -10.898 5.436 -0.918 89 HB3 LYS 11 HB1 LYS 11 -9.816 5.846 0.419 90 HG2 LYS 11 HG2 LYS 11 -8.136 6.535 -1.339 91 HG3 LYS 11 HG1 LYS 11 -9.459 6.451 -2.495 92 HD2 LYS 11 HD2 LYS 11 -8.959 8.621 -1.640 93 HD3 LYS 11 HD1 LYS 11 -10.619 7.983 -1.400 94 HE2 LYS 11 HE2 LYS 11 -9.602 9.305 0.612 95 HE3 LYS 11 HE1 LYS 11 -10.265 7.722 0.974 96 HZ1 LYS 11 HZ1 LYS 11 -8.052 6.803 1.009 97 HZ2 LYS 11 HZ2 LYS 11 -8.002 8.176 1.984 98 HZ3 LYS 11 HZ3 LYS 11 -7.393 8.210 0.403 99 H GLY 12 HN GLY 12 -10.500 2.075 -0.685 100 HA2 GLY 12 HA2 GLY 12 -12.076 1.565 -2.518 101 HA3 GLY 12 HA1 GLY 12 -10.757 1.975 -3.608 102 H TYR 13 HN TYR 13 -11.352 -0.254 -4.328 103 HA TYR 13 HA TYR 13 -10.397 -2.353 -2.607 104 HB2 TYR 13 HB2 TYR 13 -12.165 -2.223 -4.906 105 HB3 TYR 13 HB1 TYR 13 -11.038 -3.574 -4.977 106 HD1 TYR 13 HD1 TYR 13 -13.966 -2.202 -3.299 107 HD2 TYR 13 HD2 TYR 13 -10.974 -5.208 -3.193 108 HE1 TYR 13 HE1 TYR 13 -15.312 -3.484 -1.677 109 HE2 TYR 13 HE2 TYR 13 -12.264 -6.487 -1.601 110 HH TYR 13 HH TYR 13 -15.541 -5.786 -0.873 111 H CYS 14 HN CYS 14 -8.388 -2.818 -2.520 112 HA CYS 14 HA CYS 14 -6.624 -2.271 -4.719 113 HB2 CYS 14 HB2 CYS 14 -6.113 -2.103 -2.149 114 HB3 CYS 14 HB1 CYS 14 -5.827 -3.833 -2.272 115 H VAL 15 HN VAL 15 -8.018 -3.734 -6.021 116 HA VAL 15 HA VAL 15 -7.336 -6.526 -5.787 117 HB VAL 15 HB VAL 15 -8.629 -6.854 -7.905 118 HG11 VAL 15 HG11 VAL 15 -10.041 -5.303 -5.741 119 HG12 VAL 15 HG12 VAL 15 -9.751 -7.041 -5.765 120 HG13 VAL 15 HG13 VAL 15 -10.833 -6.311 -6.951 121 HG21 VAL 15 HG21 VAL 15 -9.158 -3.881 -7.688 122 HG22 VAL 15 HG22 VAL 15 -9.953 -4.983 -8.811 123 HG23 VAL 15 HG23 VAL 15 -8.223 -4.673 -8.955 124 H ASN 16 HN ASN 16 -6.267 -3.778 -7.614 125 HA ASN 16 HA ASN 16 -4.342 -5.505 -9.018 126 HB2 ASN 16 HB2 ASN 16 -5.810 -4.000 -10.454 127 HB3 ASN 16 HB1 ASN 16 -5.022 -2.622 -9.694 128 HD21 ASN 16 HD21 ASN 16 -5.010 -3.206 -12.483 129 HD22 ASN 16 HD22 ASN 16 -3.387 -3.517 -12.957 130 H ASN 17 HN ASN 17 -2.410 -5.492 -8.223 131 HA ASN 17 HA ASN 17 -1.589 -3.951 -6.025 132 HB2 ASN 17 HB2 ASN 17 0.107 -5.547 -7.946 133 HB3 ASN 17 HB1 ASN 17 0.688 -4.864 -6.436 134 HD21 ASN 17 HD21 ASN 17 -1.048 -7.442 -7.932 135 HD22 ASN 17 HD22 ASN 17 -1.355 -8.328 -6.487 136 H THR 18 HN THR 18 -1.274 -3.411 -9.407 137 HA THR 18 HA THR 18 0.787 -1.501 -9.460 138 HB THR 18 HB THR 18 -1.624 -1.787 -11.269 139 HG1 THR 18 HG1 THR 18 -0.775 -3.676 -11.580 140 HG21 THR 18 HG21 THR 18 -0.150 -0.910 -13.002 141 HG22 THR 18 HG22 THR 18 1.163 -0.729 -11.831 142 HG23 THR 18 HG23 THR 18 -0.302 0.253 -11.686 143 H ASN 19 HN ASN 19 -2.674 -1.248 -8.553 144 HA ASN 19 HA ASN 19 -2.849 1.596 -8.895 145 HB2 ASN 19 HB2 ASN 19 -4.876 0.079 -8.924 146 HB3 ASN 19 HB1 ASN 19 -4.585 -0.237 -7.213 147 HD21 ASN 19 HD21 ASN 19 -6.597 0.621 -6.599 148 HD22 ASN 19 HD22 ASN 19 -6.879 2.326 -6.656 149 H CYS 20 HN CYS 20 -2.487 -0.698 -6.276 150 HA CYS 20 HA CYS 20 -2.220 0.939 -4.022 151 HB2 CYS 20 HB2 CYS 20 -2.096 -1.695 -4.290 152 HB3 CYS 20 HB1 CYS 20 -0.443 -1.366 -4.586 153 H LYS 21 HN LYS 21 -0.018 -0.288 -6.374 154 HA LYS 21 HA LYS 21 2.286 0.342 -5.355 155 HB2 LYS 21 HB2 LYS 21 1.424 -0.768 -7.647 156 HB3 LYS 21 HB1 LYS 21 2.037 0.781 -8.222 157 HG2 LYS 21 HG2 LYS 21 4.207 0.308 -7.529 158 HG3 LYS 21 HG1 LYS 21 3.670 -1.164 -6.694 159 HD2 LYS 21 HD2 LYS 21 2.954 -2.157 -8.741 160 HD3 LYS 21 HD1 LYS 21 3.270 -0.669 -9.631 161 HE2 LYS 21 HE2 LYS 21 4.988 -2.234 -10.047 162 HE3 LYS 21 HE1 LYS 21 5.569 -0.855 -9.086 163 HZ1 LYS 21 HZ1 LYS 21 6.448 -3.029 -8.285 164 HZ2 LYS 21 HZ2 LYS 21 4.872 -3.535 -7.964 165 HZ3 LYS 21 HZ3 LYS 21 5.540 -2.254 -7.094 166 H ASN 22 HN ASN 22 0.316 2.109 -7.740 167 HA ASN 22 HA ASN 22 1.976 4.362 -8.076 168 HB2 ASN 22 HB2 ASN 22 -0.981 4.041 -8.611 169 HB3 ASN 22 HB1 ASN 22 -0.042 5.452 -9.082 170 HD21 ASN 22 HD21 ASN 22 -1.482 3.601 -10.753 171 HD22 ASN 22 HD22 ASN 22 -0.330 2.912 -11.840 172 H VAL 23 HN VAL 23 -0.812 3.779 -6.043 173 HA VAL 23 HA VAL 23 -1.006 6.350 -4.988 174 HB VAL 23 HB VAL 23 -1.802 3.682 -3.798 175 HG11 VAL 23 HG11 VAL 23 -3.212 4.992 -2.239 176 HG12 VAL 23 HG12 VAL 23 -2.632 6.453 -2.968 177 HG13 VAL 23 HG13 VAL 23 -1.514 5.440 -2.059 178 HG21 VAL 23 HG21 VAL 23 -2.980 4.160 -5.823 179 HG22 VAL 23 HG22 VAL 23 -3.285 5.823 -5.271 180 HG23 VAL 23 HG23 VAL 23 -4.063 4.478 -4.452 181 H CYS 24 HN CYS 24 0.689 3.504 -3.736 182 HA CYS 24 HA CYS 24 1.883 4.720 -1.525 183 HB2 CYS 24 HB2 CYS 24 2.583 2.299 -3.157 184 HB3 CYS 24 HB1 CYS 24 3.525 2.725 -1.744 185 H ARG 25 HN ARG 25 2.983 4.391 -4.845 186 HA ARG 25 HA ARG 25 5.529 5.473 -4.431 187 HB2 ARG 25 HB2 ARG 25 3.817 5.392 -6.918 188 HB3 ARG 25 HB1 ARG 25 5.509 5.892 -6.916 189 HG2 ARG 25 HG2 ARG 25 6.272 3.757 -6.314 190 HG3 ARG 25 HG1 ARG 25 4.675 3.250 -5.771 191 HD2 ARG 25 HD2 ARG 25 5.035 2.141 -7.808 192 HD3 ARG 25 HD1 ARG 25 3.938 3.488 -8.143 193 HE ARG 25 HE ARG 25 6.754 3.829 -8.527 194 HH11 ARG 25 HH11 ARG 25 3.537 3.484 -10.084 195 HH12 ARG 25 HH12 ARG 25 4.058 3.907 -11.615 196 HH21 ARG 25 HH21 ARG 25 7.480 4.422 -10.731 197 HH22 ARG 25 HH22 ARG 25 6.370 4.451 -12.019 198 H THR 26 HN THR 26 2.412 6.902 -4.917 199 HA THR 26 HA THR 26 3.429 9.602 -5.079 200 HB THR 26 HB THR 26 0.544 8.731 -4.679 201 HG1 THR 26 HG1 THR 26 1.505 7.734 -6.581 202 HG21 THR 26 HG21 THR 26 0.014 10.836 -5.834 203 HG22 THR 26 HG22 THR 26 1.734 11.195 -5.982 204 HG23 THR 26 HG23 THR 26 0.979 11.146 -4.390 205 H GLU 27 HN GLU 27 2.687 7.391 -2.509 206 HA GLU 27 HA GLU 27 2.345 9.502 -0.558 207 HB2 GLU 27 HB2 GLU 27 2.524 6.484 -0.202 208 HB3 GLU 27 HB1 GLU 27 2.358 7.607 1.144 209 HG2 GLU 27 HG2 GLU 27 0.271 8.423 0.113 210 HG3 GLU 27 HG1 GLU 27 0.442 7.162 -1.105 211 H GLY 28 HN GLY 28 4.842 7.551 -1.846 212 HA2 GLY 28 HA2 GLY 28 7.067 8.717 -1.694 213 HA3 GLY 28 HA1 GLY 28 6.754 8.801 0.035 214 H PHE 29 HN PHE 29 6.004 6.066 -2.019 215 HA PHE 29 HA PHE 29 8.055 4.516 -0.613 216 HB2 PHE 29 HB2 PHE 29 5.270 3.698 -1.409 217 HB3 PHE 29 HB1 PHE 29 6.477 2.600 -0.756 218 HD1 PHE 29 HD1 PHE 29 4.232 5.378 -0.045 219 HD2 PHE 29 HD2 PHE 29 6.985 2.591 1.566 220 HE1 PHE 29 HE1 PHE 29 3.414 5.924 2.183 221 HE2 PHE 29 HE2 PHE 29 6.212 3.097 3.818 222 HZ PHE 29 HZ PHE 29 4.408 4.783 4.164 223 HA PRO 30 HA PRO 30 9.446 3.347 -4.653 224 HB2 PRO 30 HB2 PRO 30 10.183 0.733 -4.079 225 HB3 PRO 30 HB1 PRO 30 11.217 2.139 -3.800 226 HG2 PRO 30 HG2 PRO 30 9.601 0.596 -1.873 227 HG3 PRO 30 HG1 PRO 30 11.136 1.450 -1.640 228 HD2 PRO 30 HD2 PRO 30 8.780 2.405 -0.742 229 HD3 PRO 30 HD1 PRO 30 10.120 3.453 -1.234 230 H THR 31 HN THR 31 7.243 1.142 -2.890 231 HA THR 31 HA THR 31 5.816 0.683 -5.301 232 HB THR 31 HB THR 31 7.573 -0.929 -5.645 233 HG1 THR 31 HG1 THR 31 5.742 -2.732 -4.680 234 HG21 THR 31 HG21 THR 31 8.479 -1.148 -3.442 235 HG22 THR 31 HG22 THR 31 8.005 -2.772 -3.965 236 HG23 THR 31 HG23 THR 31 6.996 -1.861 -2.836 237 H GLY 32 HN GLY 32 4.013 -0.981 -4.782 238 HA2 GLY 32 HA2 GLY 32 3.189 -0.997 -2.065 239 HA3 GLY 32 HA1 GLY 32 2.164 -0.087 -3.195 240 H SER 33 HN SER 33 1.430 -2.423 -1.875 241 HA SER 33 HA SER 33 0.704 -4.063 -4.098 242 HB2 SER 33 HB2 SER 33 2.645 -4.892 -2.020 243 HB3 SER 33 HB1 SER 33 1.700 -6.159 -2.832 244 HG SER 33 HG SER 33 2.845 -4.239 -4.409 245 H CYS 34 HN CYS 34 -0.922 -5.645 -3.502 246 HA CYS 34 HA CYS 34 -2.632 -4.451 -1.476 247 HB2 CYS 34 HB2 CYS 34 -3.258 -6.474 -3.605 248 HB3 CYS 34 HB1 CYS 34 -4.418 -5.592 -2.622 249 H ASP 35 HN ASP 35 -3.149 -5.435 0.348 250 HA ASP 35 HA ASP 35 -2.397 -8.250 0.757 251 HB2 ASP 35 HB2 ASP 35 -0.722 -6.688 1.688 252 HB3 ASP 35 HB1 ASP 35 -2.007 -5.885 2.558 253 H PHE 36 HN PHE 36 -3.477 -9.030 2.891 254 HA PHE 36 HA PHE 36 -6.191 -7.982 3.008 255 HB2 PHE 36 HB2 PHE 36 -6.507 -9.964 1.823 256 HB3 PHE 36 HB1 PHE 36 -5.244 -10.808 2.697 257 HD1 PHE 36 HD1 PHE 36 -8.419 -9.038 3.823 258 HD2 PHE 36 HD2 PHE 36 -6.099 -12.622 3.750 259 HE1 PHE 36 HE1 PHE 36 -10.084 -10.137 5.208 260 HE2 PHE 36 HE2 PHE 36 -7.784 -13.728 5.164 261 HZ PHE 36 HZ PHE 36 -9.780 -12.488 5.896 262 H HIS 37 HN HIS 37 -6.591 -7.198 4.875 263 HA HIS 37 HA HIS 37 -6.029 -8.767 7.264 264 HB2 HIS 37 HB2 HIS 37 -4.789 -7.122 8.438 265 HB3 HIS 37 HB1 HIS 37 -4.179 -6.955 6.791 266 HD1 HIS 37 HD1 HIS 37 -5.600 -5.029 9.499 267 HD2 HIS 37 HD2 HIS 37 -5.389 -4.686 5.375 268 HE1 HIS 37 HE1 HIS 37 -6.195 -2.636 8.973 269 HE2 HIS 37 HE2 HIS 37 -6.374 -2.595 6.512 270 H VAL 38 HN VAL 38 -8.212 -7.443 5.387 271 HA VAL 38 HA VAL 38 -10.064 -6.722 7.428 272 HB VAL 38 HB VAL 38 -10.781 -4.631 6.069 273 HG11 VAL 38 HG11 VAL 38 -8.184 -4.494 7.584 274 HG12 VAL 38 HG12 VAL 38 -9.805 -4.361 8.276 275 HG13 VAL 38 HG13 VAL 38 -9.195 -3.115 7.180 276 HG21 VAL 38 HG21 VAL 38 -9.381 -4.987 4.051 277 HG22 VAL 38 HG22 VAL 38 -7.940 -4.839 5.069 278 HG23 VAL 38 HG23 VAL 38 -8.976 -3.457 4.843 279 H ALA 39 HN ALA 39 -12.255 -6.397 6.377 280 HA ALA 39 HA ALA 39 -12.654 -8.472 4.481 281 HB1 ALA 39 HB1 ALA 39 -14.338 -7.988 6.211 282 HB2 ALA 39 HB2 ALA 39 -15.030 -7.831 4.597 283 HB3 ALA 39 HB3 ALA 39 -14.596 -6.389 5.513 284 H GLY 40 HN GLY 40 -11.330 -7.773 2.887 285 HA2 GLY 40 HA2 GLY 40 -12.174 -6.925 0.568 286 HA3 GLY 40 HA1 GLY 40 -11.974 -5.379 1.399 287 H ARG 41 HN ARG 41 -10.289 -4.773 0.054 288 HA ARG 41 HA ARG 41 -7.817 -6.305 0.378 289 HB2 ARG 41 HB2 ARG 41 -8.821 -4.572 -1.822 290 HB3 ARG 41 HB1 ARG 41 -7.250 -5.406 -1.765 291 HG2 ARG 41 HG2 ARG 41 -9.924 -6.687 -1.658 292 HG3 ARG 41 HG1 ARG 41 -9.083 -6.427 -3.141 293 HD2 ARG 41 HD2 ARG 41 -8.110 -8.088 -0.784 294 HD3 ARG 41 HD1 ARG 41 -8.688 -8.734 -2.317 295 HE ARG 41 HE ARG 41 -6.713 -7.249 -3.180 296 HH11 ARG 41 HH11 ARG 41 -6.695 -9.302 -0.286 297 HH12 ARG 41 HH12 ARG 41 -5.078 -9.798 -0.440 298 HH21 ARG 41 HH21 ARG 41 -4.488 -8.003 -3.454 299 HH22 ARG 41 HH22 ARG 41 -3.755 -8.990 -2.284 300 H LYS 42 HN LYS 42 -6.208 -5.178 1.358 301 HA LYS 42 HA LYS 42 -6.559 -2.282 1.540 302 HB2 LYS 42 HB2 LYS 42 -6.588 -3.389 3.735 303 HB3 LYS 42 HB1 LYS 42 -5.044 -4.134 3.394 304 HG2 LYS 42 HG2 LYS 42 -4.727 -2.249 4.883 305 HG3 LYS 42 HG1 LYS 42 -3.987 -1.892 3.325 306 HD2 LYS 42 HD2 LYS 42 -5.812 -0.504 2.703 307 HD3 LYS 42 HD1 LYS 42 -6.731 -0.926 4.170 308 HE2 LYS 42 HE2 LYS 42 -5.840 1.176 4.604 309 HE3 LYS 42 HE1 LYS 42 -4.734 0.053 5.391 310 HZ1 LYS 42 HZ1 LYS 42 -3.200 0.285 3.429 311 HZ2 LYS 42 HZ2 LYS 42 -3.511 1.809 4.123 312 HZ3 LYS 42 HZ3 LYS 42 -4.280 1.368 2.745 313 H CYS 43 HN CYS 43 -5.110 -1.087 0.635 314 HA CYS 43 HA CYS 43 -2.873 -2.169 -0.755 315 HB2 CYS 43 HB2 CYS 43 -4.103 -0.244 -1.586 316 HB3 CYS 43 HB1 CYS 43 -3.758 0.645 -0.119 317 H TYR 44 HN TYR 44 -0.815 -2.343 -0.011 318 HA TYR 44 HA TYR 44 -0.056 -0.843 2.340 319 HB2 TYR 44 HB2 TYR 44 0.373 -3.729 1.718 320 HB3 TYR 44 HB1 TYR 44 1.511 -2.827 2.705 321 HD1 TYR 44 HD1 TYR 44 -1.926 -4.047 2.500 322 HD2 TYR 44 HD2 TYR 44 1.038 -2.319 4.955 323 HE1 TYR 44 HE1 TYR 44 -3.245 -4.629 4.502 324 HE2 TYR 44 HE2 TYR 44 -0.261 -2.861 6.953 325 HH TYR 44 HH TYR 44 -2.571 -5.071 6.951 326 H CYS 45 HN CYS 45 1.899 -0.078 2.247 327 HA CYS 45 HA CYS 45 3.114 -0.015 -0.361 328 HB2 CYS 45 HB2 CYS 45 3.635 1.649 2.101 329 HB3 CYS 45 HB1 CYS 45 4.235 1.976 0.516 330 H TYR 46 HN TYR 46 5.186 -0.644 -0.675 331 HA TYR 46 HA TYR 46 6.399 -2.036 1.574 332 HB2 TYR 46 HB2 TYR 46 6.325 -2.737 -1.318 333 HB3 TYR 46 HB1 TYR 46 7.564 -3.401 -0.263 334 HD1 TYR 46 HD1 TYR 46 3.800 -3.125 -0.542 335 HD2 TYR 46 HD2 TYR 46 7.150 -5.370 0.824 336 HE1 TYR 46 HE1 TYR 46 2.319 -4.875 0.124 337 HE2 TYR 46 HE2 TYR 46 5.683 -7.181 1.481 338 HH TYR 46 HH TYR 46 2.459 -7.389 0.474 339 H LYS 47 HN LYS 47 8.348 -1.651 2.102 340 HA LYS 47 HA LYS 47 10.033 -0.132 0.336 341 HB2 LYS 47 HB2 LYS 47 10.626 1.510 2.154 342 HB3 LYS 47 HB1 LYS 47 9.028 1.702 1.460 343 HG2 LYS 47 HG2 LYS 47 8.045 0.625 3.428 344 HG3 LYS 47 HG1 LYS 47 9.655 0.394 4.112 345 HD2 LYS 47 HD2 LYS 47 9.998 2.791 4.209 346 HD3 LYS 47 HD1 LYS 47 8.448 3.074 3.420 347 HE2 LYS 47 HE2 LYS 47 8.249 3.441 5.814 348 HE3 LYS 47 HE1 LYS 47 7.303 2.035 5.337 349 HZ1 LYS 47 HZ1 LYS 47 9.110 0.623 6.112 350 HZ2 LYS 47 HZ2 LYS 47 8.492 1.597 7.343 351 HZ3 LYS 47 HZ3 LYS 47 9.974 1.991 6.622 352 HA PRO 48 HA PRO 48 12.965 -2.934 1.999 353 HB2 PRO 48 HB2 PRO 48 15.219 -1.736 1.096 354 HB3 PRO 48 HB1 PRO 48 14.106 -2.583 -0.002 355 HG2 PRO 48 HG2 PRO 48 14.378 0.333 0.492 356 HG3 PRO 48 HG1 PRO 48 14.123 -0.537 -1.035 357 HD2 PRO 48 HD2 PRO 48 12.086 0.690 0.285 358 HD3 PRO 48 HD1 PRO 48 11.879 -0.767 -0.705 359 H CYS 49 HN CYS 49 13.263 -2.999 3.995 360 HA CYS 49 HA CYS 49 14.883 -0.969 5.351 361 HB2 CYS 49 HB2 CYS 49 13.784 -2.154 7.413 362 HB3 CYS 49 HB1 CYS 49 12.842 -0.966 6.520 363 HA PRO 50 HA PRO 50 17.971 -4.108 5.727 364 HB2 PRO 50 HB2 PRO 50 18.078 -3.806 8.678 365 HB3 PRO 50 HB1 PRO 50 19.363 -3.525 7.485 366 HG2 PRO 50 HG2 PRO 50 18.231 -1.486 8.715 367 HG3 PRO 50 HG1 PRO 50 18.664 -1.394 6.995 368 HD2 PRO 50 HD2 PRO 50 15.977 -1.827 8.223 369 HD3 PRO 50 HD1 PRO 50 16.439 -0.810 6.844 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 15.317 -5.339 4.137 2 H2 ARG 1 HT2 ARG 1 15.634 -6.563 3.036 3 H3 ARG 1 HT3 ARG 1 15.890 -6.747 4.723 4 HA ARG 1 HA ARG 1 13.690 -7.745 3.886 5 HB2 ARG 1 HB2 ARG 1 13.835 -5.665 6.046 6 HB3 ARG 1 HB1 ARG 1 12.421 -6.665 5.782 7 HG2 ARG 1 HG2 ARG 1 13.406 -8.522 6.636 8 HG3 ARG 1 HG1 ARG 1 15.027 -8.023 6.136 9 HD2 ARG 1 HD2 ARG 1 14.803 -7.884 8.580 10 HD3 ARG 1 HD1 ARG 1 15.048 -6.319 7.792 11 HE ARG 1 HE ARG 1 12.323 -7.044 8.420 12 HH11 ARG 1 HH11 ARG 1 15.245 -5.157 9.119 13 HH12 ARG 1 HH12 ARG 1 14.534 -4.098 10.222 14 HH21 ARG 1 HH21 ARG 1 11.241 -5.535 9.941 15 HH22 ARG 1 HH22 ARG 1 12.156 -4.318 10.701 16 H MET 2 HN MET 2 11.484 -7.270 3.571 17 HA MET 2 HA MET 2 10.931 -4.728 2.183 18 HB2 MET 2 HB2 MET 2 9.695 -7.476 1.971 19 HB3 MET 2 HB1 MET 2 8.995 -6.025 1.272 20 HG2 MET 2 HG2 MET 2 10.914 -5.729 -0.127 21 HG3 MET 2 HG1 MET 2 11.696 -7.132 0.604 22 HE1 MET 2 HE1 MET 2 9.291 -10.022 -0.697 23 HE2 MET 2 HE2 MET 2 9.080 -9.124 0.801 24 HE3 MET 2 HE3 MET 2 10.692 -9.645 0.307 25 H CYS 3 HN CYS 3 10.239 -3.462 3.533 26 HA CYS 3 HA CYS 3 8.635 -4.339 5.746 27 HB2 CYS 3 HB2 CYS 3 10.064 -1.892 4.964 28 HB3 CYS 3 HB1 CYS 3 8.692 -1.672 6.022 29 H LYS 4 HN LYS 4 6.591 -4.558 5.579 30 HA LYS 4 HA LYS 4 5.138 -3.286 3.423 31 HB2 LYS 4 HB2 LYS 4 4.980 -5.766 3.919 32 HB3 LYS 4 HB1 LYS 4 4.194 -5.347 5.433 33 HG2 LYS 4 HG2 LYS 4 2.356 -4.325 4.231 34 HG3 LYS 4 HG1 LYS 4 3.185 -4.611 2.707 35 HD2 LYS 4 HD2 LYS 4 1.494 -6.265 2.944 36 HD3 LYS 4 HD1 LYS 4 3.060 -7.027 3.132 37 HE2 LYS 4 HE2 LYS 4 2.802 -7.047 5.567 38 HE3 LYS 4 HE1 LYS 4 1.247 -6.230 5.418 39 HZ1 LYS 4 HZ1 LYS 4 1.825 -8.934 4.289 40 HZ2 LYS 4 HZ2 LYS 4 0.333 -8.159 4.307 41 HZ3 LYS 4 HZ3 LYS 4 1.001 -8.649 5.733 42 H THR 5 HN THR 5 4.333 -1.389 3.847 43 HA THR 5 HA THR 5 3.520 -0.642 6.565 44 HB THR 5 HB THR 5 4.723 0.850 4.259 45 HG1 THR 5 HG1 THR 5 5.644 -0.446 6.269 46 HG21 THR 5 HG21 THR 5 3.096 2.319 5.271 47 HG22 THR 5 HG22 THR 5 4.715 2.868 5.669 48 HG23 THR 5 HG23 THR 5 3.743 2.017 6.893 49 HA PRO 6 HA PRO 6 -0.565 -0.402 4.680 50 HB2 PRO 6 HB2 PRO 6 -1.799 1.072 6.633 51 HB3 PRO 6 HB1 PRO 6 -1.495 -0.673 6.764 52 HG2 PRO 6 HG2 PRO 6 0.015 1.582 7.966 53 HG3 PRO 6 HG1 PRO 6 -0.375 -0.011 8.648 54 HD2 PRO 6 HD2 PRO 6 2.071 0.581 7.641 55 HD3 PRO 6 HD1 PRO 6 1.376 -1.052 7.592 56 H SER 7 HN SER 7 -1.274 0.882 3.141 57 HA SER 7 HA SER 7 -0.337 3.422 2.487 58 HB2 SER 7 HB2 SER 7 -2.453 3.486 1.091 59 HB3 SER 7 HB1 SER 7 -1.382 2.137 0.754 60 HG SER 7 HG SER 7 -2.669 0.796 1.658 61 H GLY 8 HN GLY 8 -1.099 5.498 2.815 62 HA2 GLY 8 HA2 GLY 8 -3.038 5.784 4.966 63 HA3 GLY 8 HA1 GLY 8 -1.897 6.995 4.406 64 H LYS 9 HN LYS 9 -2.685 6.577 1.494 65 HA LYS 9 HA LYS 9 -5.284 8.039 1.674 66 HB2 LYS 9 HB2 LYS 9 -4.646 9.405 0.030 67 HB3 LYS 9 HB1 LYS 9 -3.404 9.475 1.287 68 HG2 LYS 9 HG2 LYS 9 -1.901 8.332 -0.008 69 HG3 LYS 9 HG1 LYS 9 -3.142 7.777 -1.136 70 HD2 LYS 9 HD2 LYS 9 -3.641 10.195 -1.332 71 HD3 LYS 9 HD1 LYS 9 -1.977 10.440 -0.752 72 HE2 LYS 9 HE2 LYS 9 -2.839 8.692 -2.970 73 HE3 LYS 9 HE1 LYS 9 -2.063 10.272 -3.265 74 HZ1 LYS 9 HZ1 LYS 9 -0.403 8.514 -3.459 75 HZ2 LYS 9 HZ2 LYS 9 -0.913 7.815 -2.034 76 HZ3 LYS 9 HZ3 LYS 9 -0.111 9.293 -1.984 77 H PHE 10 HN PHE 10 -4.437 5.263 1.044 78 HA PHE 10 HA PHE 10 -5.025 4.828 -1.655 79 HB2 PHE 10 HB2 PHE 10 -3.861 3.214 -0.271 80 HB3 PHE 10 HB1 PHE 10 -5.343 2.852 0.597 81 HD1 PHE 10 HD1 PHE 10 -6.760 1.177 -0.254 82 HD2 PHE 10 HD2 PHE 10 -3.876 3.070 -2.653 83 HE1 PHE 10 HE1 PHE 10 -7.278 -0.417 -2.054 84 HE2 PHE 10 HE2 PHE 10 -4.353 1.466 -4.524 85 HZ PHE 10 HZ PHE 10 -6.068 -0.274 -4.195 86 H LYS 11 HN LYS 11 -6.640 4.407 -2.730 87 HA LYS 11 HA LYS 11 -9.268 4.718 -1.537 88 HB2 LYS 11 HB2 LYS 11 -9.703 5.797 -3.989 89 HB3 LYS 11 HB1 LYS 11 -9.353 6.722 -2.547 90 HG2 LYS 11 HG2 LYS 11 -8.045 7.556 -4.419 91 HG3 LYS 11 HG1 LYS 11 -6.987 6.869 -3.203 92 HD2 LYS 11 HD2 LYS 11 -6.180 6.270 -5.407 93 HD3 LYS 11 HD1 LYS 11 -6.780 4.822 -4.609 94 HE2 LYS 11 HE2 LYS 11 -8.832 4.928 -5.902 95 HE3 LYS 11 HE1 LYS 11 -8.322 6.450 -6.635 96 HZ1 LYS 11 HZ1 LYS 11 -7.928 4.501 -8.086 97 HZ2 LYS 11 HZ2 LYS 11 -6.836 3.872 -6.957 98 HZ3 LYS 11 HZ3 LYS 11 -6.513 5.325 -7.712 99 H GLY 12 HN GLY 12 -10.426 3.003 -1.755 100 HA2 GLY 12 HA2 GLY 12 -11.861 1.743 -3.152 101 HA3 GLY 12 HA1 GLY 12 -10.630 1.789 -4.404 102 H TYR 13 HN TYR 13 -11.024 -0.443 -4.553 103 HA TYR 13 HA TYR 13 -10.147 -2.171 -2.405 104 HB2 TYR 13 HB2 TYR 13 -11.642 -2.458 -4.912 105 HB3 TYR 13 HB1 TYR 13 -10.539 -3.778 -4.552 106 HD1 TYR 13 HD1 TYR 13 -11.053 -5.369 -2.977 107 HD2 TYR 13 HD2 TYR 13 -13.439 -1.869 -3.211 108 HE1 TYR 13 HE1 TYR 13 -12.637 -6.399 -1.480 109 HE2 TYR 13 HE2 TYR 13 -15.086 -2.892 -1.681 110 HH TYR 13 HH TYR 13 -15.774 -5.127 -0.926 111 H CYS 14 HN CYS 14 -8.211 -3.221 -2.364 112 HA CYS 14 HA CYS 14 -6.389 -2.533 -4.507 113 HB2 CYS 14 HB2 CYS 14 -5.815 -2.397 -1.968 114 HB3 CYS 14 HB1 CYS 14 -5.621 -4.141 -2.079 115 H VAL 15 HN VAL 15 -8.028 -3.938 -5.626 116 HA VAL 15 HA VAL 15 -7.509 -6.726 -5.719 117 HB VAL 15 HB VAL 15 -8.647 -6.701 -7.970 118 HG11 VAL 15 HG11 VAL 15 -10.866 -6.061 -7.116 119 HG12 VAL 15 HG12 VAL 15 -10.087 -5.309 -5.722 120 HG13 VAL 15 HG13 VAL 15 -9.956 -7.046 -5.975 121 HG21 VAL 15 HG21 VAL 15 -8.947 -3.741 -7.424 122 HG22 VAL 15 HG22 VAL 15 -9.743 -4.629 -8.722 123 HG23 VAL 15 HG23 VAL 15 -7.987 -4.462 -8.715 124 H ASN 16 HN ASN 16 -6.068 -3.978 -7.279 125 HA ASN 16 HA ASN 16 -4.157 -5.766 -8.655 126 HB2 ASN 16 HB2 ASN 16 -5.689 -4.477 -10.212 127 HB3 ASN 16 HB1 ASN 16 -5.050 -2.993 -9.531 128 HD21 ASN 16 HD21 ASN 16 -4.991 -3.771 -12.269 129 HD22 ASN 16 HD22 ASN 16 -3.353 -3.924 -12.757 130 H ASN 17 HN ASN 17 -2.231 -5.596 -7.965 131 HA ASN 17 HA ASN 17 -1.319 -4.029 -5.863 132 HB2 ASN 17 HB2 ASN 17 0.249 -5.414 -8.044 133 HB3 ASN 17 HB1 ASN 17 0.977 -4.709 -6.608 134 HD21 ASN 17 HD21 ASN 17 0.832 -7.511 -7.616 135 HD22 ASN 17 HD22 ASN 17 0.136 -8.391 -6.303 136 H THR 18 HN THR 18 -1.427 -3.337 -9.249 137 HA THR 18 HA THR 18 0.475 -1.270 -9.251 138 HB THR 18 HB THR 18 -1.729 -1.975 -11.180 139 HG1 THR 18 HG1 THR 18 -0.344 -3.469 -11.522 140 HG21 THR 18 HG21 THR 18 -1.101 0.405 -11.473 141 HG22 THR 18 HG22 THR 18 -0.586 -0.587 -12.832 142 HG23 THR 18 HG23 THR 18 0.598 -0.067 -11.623 143 H ASN 19 HN ASN 19 -2.942 -1.260 -8.370 144 HA ASN 19 HA ASN 19 -3.313 1.569 -8.596 145 HB2 ASN 19 HB2 ASN 19 -5.241 -0.063 -8.544 146 HB3 ASN 19 HB1 ASN 19 -4.778 -0.502 -6.908 147 HD21 ASN 19 HD21 ASN 19 -6.893 -0.002 -6.235 148 HD22 ASN 19 HD22 ASN 19 -7.404 1.601 -5.936 149 H CYS 20 HN CYS 20 -2.579 -0.757 -6.086 150 HA CYS 20 HA CYS 20 -2.220 0.834 -3.817 151 HB2 CYS 20 HB2 CYS 20 -2.023 -1.782 -4.098 152 HB3 CYS 20 HB1 CYS 20 -0.428 -1.411 -4.587 153 H LYS 21 HN LYS 21 -0.025 -0.357 -6.241 154 HA LYS 21 HA LYS 21 2.248 0.408 -5.312 155 HB2 LYS 21 HB2 LYS 21 1.422 -0.798 -7.563 156 HB3 LYS 21 HB1 LYS 21 1.948 0.764 -8.202 157 HG2 LYS 21 HG2 LYS 21 4.169 0.397 -7.610 158 HG3 LYS 21 HG1 LYS 21 3.725 -0.970 -6.573 159 HD2 LYS 21 HD2 LYS 21 4.674 -1.744 -8.713 160 HD3 LYS 21 HD1 LYS 21 3.003 -2.257 -8.506 161 HE2 LYS 21 HE2 LYS 21 2.338 -0.250 -9.902 162 HE3 LYS 21 HE1 LYS 21 4.051 -0.027 -10.242 163 HZ1 LYS 21 HZ1 LYS 21 4.058 -2.310 -11.186 164 HZ2 LYS 21 HZ2 LYS 21 3.021 -1.260 -12.009 165 HZ3 LYS 21 HZ3 LYS 21 2.379 -2.387 -10.951 166 H ASN 22 HN ASN 22 0.158 2.119 -7.631 167 HA ASN 22 HA ASN 22 1.773 4.399 -7.982 168 HB2 ASN 22 HB2 ASN 22 -1.182 4.046 -8.461 169 HB3 ASN 22 HB1 ASN 22 -0.271 5.473 -8.935 170 HD21 ASN 22 HD21 ASN 22 -1.704 3.638 -10.622 171 HD22 ASN 22 HD22 ASN 22 -0.571 2.979 -11.737 172 H VAL 23 HN VAL 23 -0.910 3.729 -5.786 173 HA VAL 23 HA VAL 23 -0.976 6.366 -4.712 174 HB VAL 23 HB VAL 23 -1.844 3.769 -3.402 175 HG11 VAL 23 HG11 VAL 23 -1.533 5.681 -1.848 176 HG12 VAL 23 HG12 VAL 23 -3.192 5.145 -1.943 177 HG13 VAL 23 HG13 VAL 23 -2.692 6.605 -2.795 178 HG21 VAL 23 HG21 VAL 23 -3.395 5.747 -5.073 179 HG22 VAL 23 HG22 VAL 23 -4.104 4.409 -4.175 180 HG23 VAL 23 HG23 VAL 23 -2.994 4.080 -5.506 181 H CYS 24 HN CYS 24 0.725 3.456 -3.697 182 HA CYS 24 HA CYS 24 1.978 4.596 -1.471 183 HB2 CYS 24 HB2 CYS 24 2.716 2.283 -3.255 184 HB3 CYS 24 HB1 CYS 24 3.599 2.629 -1.779 185 H ARG 25 HN ARG 25 2.954 4.382 -4.839 186 HA ARG 25 HA ARG 25 5.489 5.531 -4.514 187 HB2 ARG 25 HB2 ARG 25 3.706 5.401 -6.937 188 HB3 ARG 25 HB1 ARG 25 5.389 5.926 -6.980 189 HG2 ARG 25 HG2 ARG 25 6.195 3.806 -6.382 190 HG3 ARG 25 HG1 ARG 25 4.612 3.273 -5.819 191 HD2 ARG 25 HD2 ARG 25 4.966 2.190 -7.867 192 HD3 ARG 25 HD1 ARG 25 3.827 3.509 -8.162 193 HE ARG 25 HE ARG 25 6.658 3.778 -8.663 194 HH11 ARG 25 HH11 ARG 25 3.310 3.918 -9.949 195 HH12 ARG 25 HH12 ARG 25 3.736 4.616 -11.415 196 HH21 ARG 25 HH21 ARG 25 7.242 4.746 -10.767 197 HH22 ARG 25 HH22 ARG 25 6.044 5.099 -11.920 198 H THR 26 HN THR 26 2.322 6.940 -4.876 199 HA THR 26 HA THR 26 3.376 9.599 -5.136 200 HB THR 26 HB THR 26 0.852 10.124 -4.514 201 HG1 THR 26 HG1 THR 26 0.587 7.571 -5.607 202 HG21 THR 26 HG21 THR 26 0.290 9.968 -6.904 203 HG22 THR 26 HG22 THR 26 1.723 8.961 -7.147 204 HG23 THR 26 HG23 THR 26 1.902 10.648 -6.658 205 H GLU 27 HN GLU 27 2.203 7.649 -2.546 206 HA GLU 27 HA GLU 27 2.286 9.682 -0.540 207 HB2 GLU 27 HB2 GLU 27 2.335 6.670 -0.295 208 HB3 GLU 27 HB1 GLU 27 2.486 7.707 1.120 209 HG2 GLU 27 HG2 GLU 27 0.328 8.713 0.634 210 HG3 GLU 27 HG1 GLU 27 0.241 7.765 -0.841 211 H GLY 28 HN GLY 28 4.725 7.530 -1.761 212 HA2 GLY 28 HA2 GLY 28 6.964 8.770 -1.745 213 HA3 GLY 28 HA1 GLY 28 6.688 8.887 -0.013 214 H PHE 29 HN PHE 29 5.964 6.138 -2.056 215 HA PHE 29 HA PHE 29 8.012 4.600 -0.633 216 HB2 PHE 29 HB2 PHE 29 5.257 3.757 -1.505 217 HB3 PHE 29 HB1 PHE 29 6.468 2.666 -0.848 218 HD1 PHE 29 HD1 PHE 29 6.940 2.629 1.479 219 HD2 PHE 29 HD2 PHE 29 4.134 5.380 -0.120 220 HE1 PHE 29 HE1 PHE 29 6.118 3.059 3.717 221 HE2 PHE 29 HE2 PHE 29 3.275 5.856 2.110 222 HZ PHE 29 HZ PHE 29 4.267 4.695 4.078 223 HA PRO 30 HA PRO 30 9.473 3.542 -4.676 224 HB2 PRO 30 HB2 PRO 30 10.241 0.923 -4.155 225 HB3 PRO 30 HB1 PRO 30 11.255 2.337 -3.841 226 HG2 PRO 30 HG2 PRO 30 9.659 0.727 -1.960 227 HG3 PRO 30 HG1 PRO 30 11.174 1.611 -1.696 228 HD2 PRO 30 HD2 PRO 30 8.780 2.495 -0.799 229 HD3 PRO 30 HD1 PRO 30 10.108 3.580 -1.247 230 H THR 31 HN THR 31 7.286 1.245 -2.985 231 HA THR 31 HA THR 31 5.889 0.805 -5.415 232 HB THR 31 HB THR 31 7.729 -0.727 -5.779 233 HG1 THR 31 HG1 THR 31 6.462 -2.816 -5.529 234 HG21 THR 31 HG21 THR 31 8.177 -2.615 -4.173 235 HG22 THR 31 HG22 THR 31 7.109 -1.787 -3.018 236 HG23 THR 31 HG23 THR 31 8.581 -1.009 -3.567 237 H GLY 32 HN GLY 32 4.250 -1.094 -4.883 238 HA2 GLY 32 HA2 GLY 32 3.374 -1.141 -2.180 239 HA3 GLY 32 HA1 GLY 32 2.329 -0.203 -3.257 240 H SER 33 HN SER 33 1.650 -2.575 -1.942 241 HA SER 33 HA SER 33 0.781 -4.156 -4.153 242 HB2 SER 33 HB2 SER 33 2.852 -5.054 -2.239 243 HB3 SER 33 HB1 SER 33 1.825 -6.294 -2.970 244 HG SER 33 HG SER 33 2.998 -4.340 -4.573 245 H CYS 34 HN CYS 34 -0.692 -5.964 -3.352 246 HA CYS 34 HA CYS 34 -2.386 -4.675 -1.405 247 HB2 CYS 34 HB2 CYS 34 -2.975 -6.882 -3.356 248 HB3 CYS 34 HB1 CYS 34 -4.145 -6.004 -2.369 249 H ASP 35 HN ASP 35 -3.501 -5.850 0.178 250 HA ASP 35 HA ASP 35 -2.481 -8.444 1.002 251 HB2 ASP 35 HB2 ASP 35 -1.020 -6.796 1.955 252 HB3 ASP 35 HB1 ASP 35 -2.386 -5.860 2.513 253 H PHE 36 HN PHE 36 -3.898 -9.340 2.672 254 HA PHE 36 HA PHE 36 -6.512 -8.108 2.769 255 HB2 PHE 36 HB2 PHE 36 -6.900 -9.924 1.315 256 HB3 PHE 36 HB1 PHE 36 -5.797 -10.973 2.188 257 HD1 PHE 36 HD1 PHE 36 -7.048 -12.796 2.748 258 HD2 PHE 36 HD2 PHE 36 -8.691 -8.944 3.547 259 HE1 PHE 36 HE1 PHE 36 -8.922 -13.837 3.981 260 HE2 PHE 36 HE2 PHE 36 -10.534 -9.958 4.754 261 HZ PHE 36 HZ PHE 36 -10.670 -12.419 4.982 262 H HIS 37 HN HIS 37 -6.739 -7.441 4.660 263 HA HIS 37 HA HIS 37 -6.329 -9.267 6.903 264 HB2 HIS 37 HB2 HIS 37 -4.805 -7.858 8.088 265 HB3 HIS 37 HB1 HIS 37 -4.365 -7.631 6.389 266 HD1 HIS 37 HD1 HIS 37 -5.683 -5.789 9.281 267 HD2 HIS 37 HD2 HIS 37 -4.950 -5.145 5.255 268 HE1 HIS 37 HE1 HIS 37 -5.745 -3.289 8.951 269 HE2 HIS 37 HE2 HIS 37 -4.666 -3.112 6.724 270 H VAL 38 HN VAL 38 -8.423 -7.638 5.218 271 HA VAL 38 HA VAL 38 -10.104 -6.833 7.375 272 HB VAL 38 HB VAL 38 -10.611 -4.586 6.174 273 HG11 VAL 38 HG11 VAL 38 -9.523 -4.590 8.356 274 HG12 VAL 38 HG12 VAL 38 -8.814 -3.346 7.315 275 HG13 VAL 38 HG13 VAL 38 -7.960 -4.856 7.584 276 HG21 VAL 38 HG21 VAL 38 -9.325 -5.039 4.102 277 HG22 VAL 38 HG22 VAL 38 -7.844 -5.056 5.063 278 HG23 VAL 38 HG23 VAL 38 -8.760 -3.574 4.915 279 H ALA 39 HN ALA 39 -12.274 -6.220 6.511 280 HA ALA 39 HA ALA 39 -13.018 -8.024 4.444 281 HB1 ALA 39 HB1 ALA 39 -15.298 -7.157 4.808 282 HB2 ALA 39 HB2 ALA 39 -14.649 -5.886 5.843 283 HB3 ALA 39 HB3 ALA 39 -14.530 -7.573 6.339 284 H GLY 40 HN GLY 40 -11.761 -7.306 2.831 285 HA2 GLY 40 HA2 GLY 40 -12.703 -6.000 0.750 286 HA3 GLY 40 HA1 GLY 40 -12.045 -4.680 1.729 287 H ARG 41 HN ARG 41 -10.319 -4.253 0.348 288 HA ARG 41 HA ARG 41 -8.174 -6.201 0.582 289 HB2 ARG 41 HB2 ARG 41 -9.043 -4.948 -2.036 290 HB3 ARG 41 HB1 ARG 41 -7.473 -5.734 -1.747 291 HG2 ARG 41 HG2 ARG 41 -8.409 -7.695 -1.334 292 HG3 ARG 41 HG1 ARG 41 -10.108 -7.161 -1.306 293 HD2 ARG 41 HD2 ARG 41 -9.793 -8.338 -3.342 294 HD3 ARG 41 HD1 ARG 41 -9.606 -6.652 -3.811 295 HE ARG 41 HE ARG 41 -7.151 -7.069 -3.568 296 HH11 ARG 41 HH11 ARG 41 -9.340 -9.729 -4.444 297 HH12 ARG 41 HH12 ARG 41 -8.192 -10.561 -5.375 298 HH21 ARG 41 HH21 ARG 41 -5.583 -8.199 -4.861 299 HH22 ARG 41 HH22 ARG 41 -5.968 -9.653 -5.636 300 H LYS 42 HN LYS 42 -6.404 -5.258 1.388 301 HA LYS 42 HA LYS 42 -6.503 -2.360 1.448 302 HB2 LYS 42 HB2 LYS 42 -6.772 -3.388 3.637 303 HB3 LYS 42 HB1 LYS 42 -5.333 -4.344 3.430 304 HG2 LYS 42 HG2 LYS 42 -5.018 -2.433 4.944 305 HG3 LYS 42 HG1 LYS 42 -3.940 -2.385 3.558 306 HD2 LYS 42 HD2 LYS 42 -5.282 -0.661 2.519 307 HD3 LYS 42 HD1 LYS 42 -6.505 -0.798 3.795 308 HE2 LYS 42 HE2 LYS 42 -5.064 0.025 5.409 309 HE3 LYS 42 HE1 LYS 42 -3.643 -0.131 4.384 310 HZ1 LYS 42 HZ1 LYS 42 -4.501 1.669 2.962 311 HZ2 LYS 42 HZ2 LYS 42 -4.303 2.233 4.487 312 HZ3 LYS 42 HZ3 LYS 42 -5.866 1.874 3.937 313 H CYS 43 HN CYS 43 -4.917 -1.249 0.714 314 HA CYS 43 HA CYS 43 -2.739 -2.468 -0.700 315 HB2 CYS 43 HB2 CYS 43 -3.772 -0.652 -1.753 316 HB3 CYS 43 HB1 CYS 43 -3.786 0.301 -0.284 317 H TYR 44 HN TYR 44 -0.659 -2.551 -0.044 318 HA TYR 44 HA TYR 44 0.131 -1.026 2.286 319 HB2 TYR 44 HB2 TYR 44 0.601 -3.906 1.682 320 HB3 TYR 44 HB1 TYR 44 1.719 -2.976 2.667 321 HD1 TYR 44 HD1 TYR 44 -1.819 -3.976 2.423 322 HD2 TYR 44 HD2 TYR 44 1.344 -2.720 4.929 323 HE1 TYR 44 HE1 TYR 44 -3.177 -4.507 4.358 324 HE2 TYR 44 HE2 TYR 44 0.017 -3.239 6.907 325 HH TYR 44 HH TYR 44 -2.519 -5.163 6.803 326 H CYS 45 HN CYS 45 2.026 -0.194 2.151 327 HA CYS 45 HA CYS 45 3.192 -0.101 -0.467 328 HB2 CYS 45 HB2 CYS 45 3.621 1.590 1.982 329 HB3 CYS 45 HB1 CYS 45 4.191 1.961 0.391 330 H TYR 46 HN TYR 46 5.242 -0.713 -0.823 331 HA TYR 46 HA TYR 46 6.529 -2.052 1.410 332 HB2 TYR 46 HB2 TYR 46 6.508 -2.687 -1.501 333 HB3 TYR 46 HB1 TYR 46 7.757 -3.330 -0.446 334 HD1 TYR 46 HD1 TYR 46 7.398 -5.329 0.586 335 HD2 TYR 46 HD2 TYR 46 3.981 -3.192 -0.787 336 HE1 TYR 46 HE1 TYR 46 5.990 -7.208 1.189 337 HE2 TYR 46 HE2 TYR 46 2.567 -4.999 -0.180 338 HH TYR 46 HH TYR 46 2.785 -7.497 0.110 339 H LYS 47 HN LYS 47 8.485 -1.643 1.958 340 HA LYS 47 HA LYS 47 10.126 -0.025 0.259 341 HB2 LYS 47 HB2 LYS 47 10.628 1.598 2.131 342 HB3 LYS 47 HB1 LYS 47 9.052 1.769 1.382 343 HG2 LYS 47 HG2 LYS 47 8.008 0.674 3.288 344 HG3 LYS 47 HG1 LYS 47 9.588 0.395 4.018 345 HD2 LYS 47 HD2 LYS 47 9.972 2.762 4.244 346 HD3 LYS 47 HD1 LYS 47 8.498 3.130 3.352 347 HE2 LYS 47 HE2 LYS 47 8.198 3.420 5.774 348 HE3 LYS 47 HE1 LYS 47 7.156 2.154 5.135 349 HZ1 LYS 47 HZ1 LYS 47 9.708 1.720 6.579 350 HZ2 LYS 47 HZ2 LYS 47 8.695 0.519 5.922 351 HZ3 LYS 47 HZ3 LYS 47 8.133 1.487 7.180 352 HA PRO 48 HA PRO 48 13.115 -2.737 1.958 353 HB2 PRO 48 HB2 PRO 48 15.359 -1.352 1.345 354 HB3 PRO 48 HB1 PRO 48 14.400 -2.179 0.099 355 HG2 PRO 48 HG2 PRO 48 14.433 0.704 0.818 356 HG3 PRO 48 HG1 PRO 48 14.381 -0.060 -0.786 357 HD2 PRO 48 HD2 PRO 48 12.152 0.935 0.388 358 HD3 PRO 48 HD1 PRO 48 12.136 -0.484 -0.678 359 H CYS 49 HN CYS 49 13.632 -3.029 3.880 360 HA CYS 49 HA CYS 49 14.977 -0.983 5.478 361 HB2 CYS 49 HB2 CYS 49 13.856 -2.155 7.450 362 HB3 CYS 49 HB1 CYS 49 12.795 -1.147 6.475 363 HA PRO 50 HA PRO 50 18.158 -3.988 5.682 364 HB2 PRO 50 HB2 PRO 50 18.222 -3.733 8.647 365 HB3 PRO 50 HB1 PRO 50 19.526 -3.438 7.477 366 HG2 PRO 50 HG2 PRO 50 18.367 -1.410 8.693 367 HG3 PRO 50 HG1 PRO 50 18.816 -1.314 6.977 368 HD2 PRO 50 HD2 PRO 50 16.120 -1.739 8.183 369 HD3 PRO 50 HD1 PRO 50 16.595 -0.748 6.788 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 15.812 -6.637 4.549 2 H2 ARG 1 HT2 ARG 1 15.234 -5.177 4.080 3 H3 ARG 1 HT3 ARG 1 15.212 -6.452 2.964 4 HA ARG 1 HA ARG 1 13.525 -7.543 4.235 5 HB2 ARG 1 HB2 ARG 1 14.236 -7.141 6.421 6 HB3 ARG 1 HB1 ARG 1 14.204 -5.396 6.191 7 HG2 ARG 1 HG2 ARG 1 11.797 -5.412 6.343 8 HG3 ARG 1 HG1 ARG 1 11.789 -7.179 6.423 9 HD2 ARG 1 HD2 ARG 1 13.357 -5.556 8.396 10 HD3 ARG 1 HD1 ARG 1 11.632 -5.829 8.637 11 HE ARG 1 HE ARG 1 12.040 -8.154 8.780 12 HH11 ARG 1 HH11 ARG 1 15.189 -6.378 8.708 13 HH12 ARG 1 HH12 ARG 1 15.980 -7.488 9.649 14 HH21 ARG 1 HH21 ARG 1 13.243 -9.728 10.111 15 HH22 ARG 1 HH22 ARG 1 14.881 -9.434 10.464 16 H MET 2 HN MET 2 11.419 -7.219 3.950 17 HA MET 2 HA MET 2 10.660 -4.841 2.378 18 HB2 MET 2 HB2 MET 2 9.428 -7.593 2.642 19 HB3 MET 2 HB1 MET 2 8.712 -6.268 1.736 20 HG2 MET 2 HG2 MET 2 10.472 -6.245 0.186 21 HG3 MET 2 HG1 MET 2 11.456 -7.329 1.168 22 HE1 MET 2 HE1 MET 2 7.669 -8.596 -1.180 23 HE2 MET 2 HE2 MET 2 8.345 -6.967 -1.206 24 HE3 MET 2 HE3 MET 2 7.592 -7.588 0.263 25 H CYS 3 HN CYS 3 10.038 -3.357 3.640 26 HA CYS 3 HA CYS 3 8.474 -3.922 5.997 27 HB2 CYS 3 HB2 CYS 3 9.777 -1.570 4.787 28 HB3 CYS 3 HB1 CYS 3 8.436 -1.248 5.897 29 H LYS 4 HN LYS 4 6.393 -4.205 5.864 30 HA LYS 4 HA LYS 4 4.948 -3.113 3.591 31 HB2 LYS 4 HB2 LYS 4 4.792 -5.569 4.282 32 HB3 LYS 4 HB1 LYS 4 3.951 -5.014 5.724 33 HG2 LYS 4 HG2 LYS 4 2.166 -4.085 4.354 34 HG3 LYS 4 HG1 LYS 4 3.061 -4.516 2.906 35 HD2 LYS 4 HD2 LYS 4 1.375 -6.139 3.189 36 HD3 LYS 4 HD1 LYS 4 2.919 -6.877 3.565 37 HE2 LYS 4 HE2 LYS 4 2.483 -6.630 5.975 38 HE3 LYS 4 HE1 LYS 4 0.931 -5.875 5.619 39 HZ1 LYS 4 HZ1 LYS 4 1.666 -8.687 4.919 40 HZ2 LYS 4 HZ2 LYS 4 0.209 -7.961 4.567 41 HZ3 LYS 4 HZ3 LYS 4 0.610 -8.221 6.151 42 H THR 5 HN THR 5 4.200 -1.170 3.936 43 HA THR 5 HA THR 5 3.450 -0.286 6.623 44 HB THR 5 HB THR 5 4.450 1.137 4.170 45 HG1 THR 5 HG1 THR 5 5.599 -0.096 6.147 46 HG21 THR 5 HG21 THR 5 3.727 2.304 6.878 47 HG22 THR 5 HG22 THR 5 2.925 2.599 5.315 48 HG23 THR 5 HG23 THR 5 4.571 3.152 5.570 49 HA PRO 6 HA PRO 6 -0.716 -0.105 4.875 50 HB2 PRO 6 HB2 PRO 6 -1.849 1.457 6.822 51 HB3 PRO 6 HB1 PRO 6 -1.602 -0.295 6.975 52 HG2 PRO 6 HG2 PRO 6 -0.018 1.925 8.135 53 HG3 PRO 6 HG1 PRO 6 -0.394 0.330 8.813 54 HD2 PRO 6 HD2 PRO 6 2.021 0.952 7.715 55 HD3 PRO 6 HD1 PRO 6 1.349 -0.690 7.747 56 H SER 7 HN SER 7 -1.310 1.127 3.280 57 HA SER 7 HA SER 7 -0.288 3.656 2.669 58 HB2 SER 7 HB2 SER 7 -2.177 3.636 0.974 59 HB3 SER 7 HB1 SER 7 -1.057 2.270 0.912 60 HG SER 7 HG SER 7 -2.505 0.979 1.542 61 H GLY 8 HN GLY 8 -1.110 5.682 2.826 62 HA2 GLY 8 HA2 GLY 8 -3.170 6.012 4.878 63 HA3 GLY 8 HA1 GLY 8 -1.974 7.206 4.415 64 H LYS 9 HN LYS 9 -2.644 6.826 1.408 65 HA LYS 9 HA LYS 9 -5.101 8.391 1.672 66 HB2 LYS 9 HB2 LYS 9 -4.240 9.585 -0.406 67 HB3 LYS 9 HB1 LYS 9 -3.534 10.044 1.158 68 HG2 LYS 9 HG2 LYS 9 -1.666 9.825 -0.135 69 HG3 LYS 9 HG1 LYS 9 -1.842 8.205 0.450 70 HD2 LYS 9 HD2 LYS 9 -1.823 7.550 -1.563 71 HD3 LYS 9 HD1 LYS 9 -3.465 8.213 -1.702 72 HE2 LYS 9 HE2 LYS 9 -2.082 8.971 -3.499 73 HE3 LYS 9 HE1 LYS 9 -2.492 10.325 -2.416 74 HZ1 LYS 9 HZ1 LYS 9 -0.301 10.072 -1.365 75 HZ2 LYS 9 HZ2 LYS 9 -0.083 10.364 -3.002 76 HZ3 LYS 9 HZ3 LYS 9 0.062 8.793 -2.384 77 H PHE 10 HN PHE 10 -3.813 5.809 0.630 78 HA PHE 10 HA PHE 10 -5.519 5.209 -1.573 79 HB2 PHE 10 HB2 PHE 10 -3.490 3.826 -0.739 80 HB3 PHE 10 HB1 PHE 10 -4.645 3.170 0.415 81 HD1 PHE 10 HD1 PHE 10 -6.518 1.742 -0.327 82 HD2 PHE 10 HD2 PHE 10 -3.680 3.392 -2.906 83 HE1 PHE 10 HE1 PHE 10 -7.280 0.173 -2.069 84 HE2 PHE 10 HE2 PHE 10 -4.383 1.816 -4.747 85 HZ PHE 10 HZ PHE 10 -6.214 0.206 -4.290 86 H LYS 11 HN LYS 11 -7.538 4.839 -1.530 87 HA LYS 11 HA LYS 11 -8.761 3.358 0.513 88 HB2 LYS 11 HB2 LYS 11 -10.764 5.081 0.687 89 HB3 LYS 11 HB1 LYS 11 -9.391 5.187 1.759 90 HG2 LYS 11 HG2 LYS 11 -9.273 6.765 -0.740 91 HG3 LYS 11 HG1 LYS 11 -10.426 7.325 0.493 92 HD2 LYS 11 HD2 LYS 11 -7.442 6.894 0.803 93 HD3 LYS 11 HD1 LYS 11 -8.244 8.450 0.638 94 HE2 LYS 11 HE2 LYS 11 -9.426 8.043 2.768 95 HE3 LYS 11 HE1 LYS 11 -8.590 6.504 2.938 96 HZ1 LYS 11 HZ1 LYS 11 -7.254 9.154 2.824 97 HZ2 LYS 11 HZ2 LYS 11 -6.478 7.676 3.090 98 HZ3 LYS 11 HZ3 LYS 11 -7.546 8.273 4.229 99 H GLY 12 HN GLY 12 -9.501 1.820 -0.655 100 HA2 GLY 12 HA2 GLY 12 -11.713 1.838 -2.159 101 HA3 GLY 12 HA1 GLY 12 -10.425 2.205 -3.312 102 H TYR 13 HN TYR 13 -11.343 -0.012 -4.046 103 HA TYR 13 HA TYR 13 -10.420 -2.232 -2.511 104 HB2 TYR 13 HB2 TYR 13 -12.218 -1.822 -4.700 105 HB3 TYR 13 HB1 TYR 13 -11.069 -3.096 -5.101 106 HD1 TYR 13 HD1 TYR 13 -10.854 -5.058 -3.651 107 HD2 TYR 13 HD2 TYR 13 -13.908 -2.168 -3.059 108 HE1 TYR 13 HE1 TYR 13 -12.043 -6.640 -2.267 109 HE2 TYR 13 HE2 TYR 13 -15.146 -3.749 -1.660 110 HH TYR 13 HH TYR 13 -15.298 -6.174 -1.282 111 H CYS 14 HN CYS 14 -8.365 -2.662 -2.421 112 HA CYS 14 HA CYS 14 -6.586 -2.070 -4.618 113 HB2 CYS 14 HB2 CYS 14 -6.012 -1.971 -2.092 114 HB3 CYS 14 HB1 CYS 14 -5.891 -3.719 -2.175 115 H VAL 15 HN VAL 15 -8.035 -3.475 -5.952 116 HA VAL 15 HA VAL 15 -7.849 -6.284 -5.848 117 HB VAL 15 HB VAL 15 -8.167 -4.510 -8.290 118 HG11 VAL 15 HG11 VAL 15 -9.183 -6.477 -9.366 119 HG12 VAL 15 HG12 VAL 15 -8.749 -7.456 -7.960 120 HG13 VAL 15 HG13 VAL 15 -7.487 -6.724 -8.958 121 HG21 VAL 15 HG21 VAL 15 -10.574 -4.967 -8.048 122 HG22 VAL 15 HG22 VAL 15 -9.911 -4.114 -6.655 123 HG23 VAL 15 HG23 VAL 15 -10.244 -5.843 -6.550 124 H ASN 16 HN ASN 16 -6.070 -3.992 -7.848 125 HA ASN 16 HA ASN 16 -4.052 -6.018 -8.443 126 HB2 ASN 16 HB2 ASN 16 -5.103 -5.193 -10.409 127 HB3 ASN 16 HB1 ASN 16 -5.045 -3.541 -9.840 128 HD21 ASN 16 HD21 ASN 16 -4.222 -3.003 -11.815 129 HD22 ASN 16 HD22 ASN 16 -2.575 -3.254 -12.276 130 H ASN 17 HN ASN 17 -1.972 -5.678 -8.085 131 HA ASN 17 HA ASN 17 -1.246 -4.075 -5.881 132 HB2 ASN 17 HB2 ASN 17 0.461 -5.573 -7.869 133 HB3 ASN 17 HB1 ASN 17 1.096 -4.784 -6.432 134 HD21 ASN 17 HD21 ASN 17 1.039 -7.640 -7.243 135 HD22 ASN 17 HD22 ASN 17 0.245 -8.438 -5.932 136 H THR 18 HN THR 18 -1.155 -3.543 -9.269 137 HA THR 18 HA THR 18 0.801 -1.530 -9.423 138 HB THR 18 HB THR 18 -1.612 -1.869 -11.220 139 HG1 THR 18 HG1 THR 18 -0.643 -3.867 -11.231 140 HG21 THR 18 HG21 THR 18 -0.087 -0.995 -12.951 141 HG22 THR 18 HG22 THR 18 1.187 -0.821 -11.743 142 HG23 THR 18 HG23 THR 18 -0.270 0.167 -11.634 143 H ASN 19 HN ASN 19 -2.770 -1.235 -8.614 144 HA ASN 19 HA ASN 19 -2.690 1.597 -8.835 145 HB2 ASN 19 HB2 ASN 19 -4.831 1.389 -7.372 146 HB3 ASN 19 HB1 ASN 19 -4.956 0.875 -9.060 147 HD21 ASN 19 HD21 ASN 19 -5.002 0.015 -5.729 148 HD22 ASN 19 HD22 ASN 19 -5.522 -1.616 -5.989 149 H CYS 20 HN CYS 20 -2.405 -0.738 -6.304 150 HA CYS 20 HA CYS 20 -2.241 0.896 -4.023 151 HB2 CYS 20 HB2 CYS 20 -2.167 -1.660 -4.323 152 HB3 CYS 20 HB1 CYS 20 -0.498 -1.442 -4.619 153 H LYS 21 HN LYS 21 0.022 -0.335 -6.315 154 HA LYS 21 HA LYS 21 2.292 0.306 -5.297 155 HB2 LYS 21 HB2 LYS 21 1.454 -0.782 -7.602 156 HB3 LYS 21 HB1 LYS 21 2.034 0.780 -8.167 157 HG2 LYS 21 HG2 LYS 21 4.226 0.326 -7.501 158 HG3 LYS 21 HG1 LYS 21 3.714 -1.169 -6.692 159 HD2 LYS 21 HD2 LYS 21 2.992 -2.140 -8.743 160 HD3 LYS 21 HD1 LYS 21 3.247 -0.630 -9.613 161 HE2 LYS 21 HE2 LYS 21 4.988 -2.152 -10.105 162 HE3 LYS 21 HE1 LYS 21 5.576 -0.778 -9.147 163 HZ1 LYS 21 HZ1 LYS 21 6.532 -2.917 -8.391 164 HZ2 LYS 21 HZ2 LYS 21 4.984 -3.499 -8.075 165 HZ3 LYS 21 HZ3 LYS 21 5.600 -2.222 -7.168 166 H ASN 22 HN ASN 22 0.327 2.077 -7.669 167 HA ASN 22 HA ASN 22 1.982 4.336 -8.009 168 HB2 ASN 22 HB2 ASN 22 -0.962 4.006 -8.563 169 HB3 ASN 22 HB1 ASN 22 -0.022 5.413 -9.036 170 HD21 ASN 22 HD21 ASN 22 -1.412 3.559 -10.760 171 HD22 ASN 22 HD22 ASN 22 -0.218 2.878 -11.807 172 H VAL 23 HN VAL 23 -0.824 3.763 -5.982 173 HA VAL 23 HA VAL 23 -1.000 6.362 -4.983 174 HB VAL 23 HB VAL 23 -1.837 3.736 -3.738 175 HG11 VAL 23 HG11 VAL 23 -3.257 5.125 -2.235 176 HG12 VAL 23 HG12 VAL 23 -2.603 6.546 -2.988 177 HG13 VAL 23 HG13 VAL 23 -1.545 5.508 -2.039 178 HG21 VAL 23 HG21 VAL 23 -3.299 5.838 -5.305 179 HG22 VAL 23 HG22 VAL 23 -4.087 4.584 -4.379 180 HG23 VAL 23 HG23 VAL 23 -3.041 4.131 -5.758 181 H CYS 24 HN CYS 24 0.653 3.513 -3.687 182 HA CYS 24 HA CYS 24 1.838 4.739 -1.480 183 HB2 CYS 24 HB2 CYS 24 2.543 2.303 -3.093 184 HB3 CYS 24 HB1 CYS 24 3.440 2.706 -1.645 185 H ARG 25 HN ARG 25 2.941 4.392 -4.798 186 HA ARG 25 HA ARG 25 5.498 5.457 -4.398 187 HB2 ARG 25 HB2 ARG 25 3.776 5.397 -6.878 188 HB3 ARG 25 HB1 ARG 25 5.468 5.895 -6.879 189 HG2 ARG 25 HG2 ARG 25 6.226 3.755 -6.281 190 HG3 ARG 25 HG1 ARG 25 4.623 3.242 -5.764 191 HD2 ARG 25 HD2 ARG 25 4.994 2.163 -7.804 192 HD3 ARG 25 HD1 ARG 25 3.919 3.528 -8.145 193 HE ARG 25 HE ARG 25 6.744 3.848 -8.471 194 HH11 ARG 25 HH11 ARG 25 3.560 3.530 -10.104 195 HH12 ARG 25 HH12 ARG 25 4.120 3.977 -11.617 196 HH21 ARG 25 HH21 ARG 25 7.520 4.474 -10.647 197 HH22 ARG 25 HH22 ARG 25 6.440 4.525 -11.959 198 H THR 26 HN THR 26 2.394 6.910 -4.873 199 HA THR 26 HA THR 26 3.442 9.597 -5.049 200 HB THR 26 HB THR 26 0.551 8.770 -4.629 201 HG1 THR 26 HG1 THR 26 1.509 7.734 -6.529 202 HG21 THR 26 HG21 THR 26 0.048 10.869 -5.809 203 HG22 THR 26 HG22 THR 26 1.772 11.194 -5.973 204 HG23 THR 26 HG23 THR 26 1.028 11.181 -4.375 205 H GLU 27 HN GLU 27 2.698 7.404 -2.475 206 HA GLU 27 HA GLU 27 2.376 9.516 -0.519 207 HB2 GLU 27 HB2 GLU 27 2.571 6.500 -0.155 208 HB3 GLU 27 HB1 GLU 27 2.370 7.634 1.178 209 HG2 GLU 27 HG2 GLU 27 0.291 8.412 0.104 210 HG3 GLU 27 HG1 GLU 27 0.497 7.132 -1.093 211 H GLY 28 HN GLY 28 4.850 7.516 -1.799 212 HA2 GLY 28 HA2 GLY 28 7.089 8.685 -1.655 213 HA3 GLY 28 HA1 GLY 28 6.786 8.737 0.078 214 H PHE 29 HN PHE 29 5.983 6.043 -2.010 215 HA PHE 29 HA PHE 29 8.043 4.456 -0.662 216 HB2 PHE 29 HB2 PHE 29 5.239 3.671 -1.427 217 HB3 PHE 29 HB1 PHE 29 6.441 2.554 -0.800 218 HD1 PHE 29 HD1 PHE 29 7.047 2.587 1.515 219 HD2 PHE 29 HD2 PHE 29 4.190 5.294 -0.040 220 HE1 PHE 29 HE1 PHE 29 6.356 3.101 3.778 221 HE2 PHE 29 HE2 PHE 29 3.438 5.861 2.201 222 HZ PHE 29 HZ PHE 29 4.521 4.767 4.169 223 HA PRO 30 HA PRO 30 9.368 3.376 -4.749 224 HB2 PRO 30 HB2 PRO 30 10.159 0.770 -4.229 225 HB3 PRO 30 HB1 PRO 30 11.172 2.189 -3.932 226 HG2 PRO 30 HG2 PRO 30 9.582 0.593 -2.018 227 HG3 PRO 30 HG1 PRO 30 11.124 1.438 -1.786 228 HD2 PRO 30 HD2 PRO 30 8.795 2.385 -0.837 229 HD3 PRO 30 HD1 PRO 30 10.117 3.443 -1.352 230 H THR 31 HN THR 31 7.160 1.191 -2.970 231 HA THR 31 HA THR 31 5.735 0.696 -5.365 232 HB THR 31 HB THR 31 7.514 -0.885 -5.736 233 HG1 THR 31 HG1 THR 31 5.687 -2.691 -4.744 234 HG21 THR 31 HG21 THR 31 6.983 -1.883 -2.935 235 HG22 THR 31 HG22 THR 31 8.443 -1.100 -3.528 236 HG23 THR 31 HG23 THR 31 8.019 -2.715 -4.099 237 H GLY 32 HN GLY 32 3.963 -1.009 -4.819 238 HA2 GLY 32 HA2 GLY 32 3.205 -1.073 -2.083 239 HA3 GLY 32 HA1 GLY 32 2.145 -0.152 -3.167 240 H SER 33 HN SER 33 1.423 -2.481 -1.881 241 HA SER 33 HA SER 33 0.596 -4.086 -4.084 242 HB2 SER 33 HB2 SER 33 2.637 -4.979 -2.124 243 HB3 SER 33 HB1 SER 33 1.632 -6.220 -2.899 244 HG SER 33 HG SER 33 2.760 -4.277 -4.480 245 H CYS 34 HN CYS 34 -0.965 -5.789 -3.337 246 HA CYS 34 HA CYS 34 -2.582 -4.503 -1.312 247 HB2 CYS 34 HB2 CYS 34 -3.340 -6.613 -3.312 248 HB3 CYS 34 HB1 CYS 34 -4.429 -5.639 -2.333 249 H ASP 35 HN ASP 35 -3.349 -5.534 0.435 250 HA ASP 35 HA ASP 35 -2.421 -8.254 1.021 251 HB2 ASP 35 HB2 ASP 35 -0.953 -6.602 1.972 252 HB3 ASP 35 HB1 ASP 35 -2.321 -5.742 2.647 253 H PHE 36 HN PHE 36 -3.706 -9.154 2.884 254 HA PHE 36 HA PHE 36 -6.395 -8.076 2.919 255 HB2 PHE 36 HB2 PHE 36 -6.674 -9.995 1.599 256 HB3 PHE 36 HB1 PHE 36 -5.508 -10.920 2.529 257 HD1 PHE 36 HD1 PHE 36 -8.599 -9.013 3.617 258 HD2 PHE 36 HD2 PHE 36 -6.564 -12.749 3.356 259 HE1 PHE 36 HE1 PHE 36 -10.389 -10.053 4.881 260 HE2 PHE 36 HE2 PHE 36 -8.382 -13.817 4.644 261 HZ PHE 36 HZ PHE 36 -10.298 -12.471 5.409 262 H HIS 37 HN HIS 37 -6.716 -7.300 4.764 263 HA HIS 37 HA HIS 37 -6.358 -8.996 7.105 264 HB2 HIS 37 HB2 HIS 37 -4.971 -7.494 8.331 265 HB3 HIS 37 HB1 HIS 37 -4.408 -7.319 6.664 266 HD1 HIS 37 HD1 HIS 37 -6.038 -5.413 9.368 267 HD2 HIS 37 HD2 HIS 37 -4.962 -4.919 5.406 268 HE1 HIS 37 HE1 HIS 37 -6.163 -2.931 8.921 269 HE2 HIS 37 HE2 HIS 37 -4.901 -2.790 6.789 270 H VAL 38 HN VAL 38 -8.369 -7.480 5.227 271 HA VAL 38 HA VAL 38 -10.233 -6.703 7.232 272 HB VAL 38 HB VAL 38 -10.786 -4.531 5.931 273 HG11 VAL 38 HG11 VAL 38 -9.799 -4.379 8.142 274 HG12 VAL 38 HG12 VAL 38 -9.095 -3.147 7.078 275 HG13 VAL 38 HG13 VAL 38 -8.190 -4.602 7.454 276 HG21 VAL 38 HG21 VAL 38 -9.408 -4.946 3.921 277 HG22 VAL 38 HG22 VAL 38 -7.960 -4.901 4.941 278 HG23 VAL 38 HG23 VAL 38 -8.911 -3.454 4.736 279 H ALA 39 HN ALA 39 -12.366 -6.230 6.141 280 HA ALA 39 HA ALA 39 -12.844 -8.294 4.270 281 HB1 ALA 39 HB1 ALA 39 -14.523 -7.689 5.963 282 HB2 ALA 39 HB2 ALA 39 -15.182 -7.546 4.334 283 HB3 ALA 39 HB3 ALA 39 -14.698 -6.100 5.217 284 H GLY 40 HN GLY 40 -11.492 -7.722 2.666 285 HA2 GLY 40 HA2 GLY 40 -12.296 -6.907 0.331 286 HA3 GLY 40 HA1 GLY 40 -12.019 -5.345 1.109 287 H ARG 41 HN ARG 41 -10.256 -4.735 -0.052 288 HA ARG 41 HA ARG 41 -7.840 -6.382 0.262 289 HB2 ARG 41 HB2 ARG 41 -8.697 -4.566 -1.948 290 HB3 ARG 41 HB1 ARG 41 -7.175 -5.481 -1.831 291 HG2 ARG 41 HG2 ARG 41 -9.842 -6.764 -1.783 292 HG3 ARG 41 HG1 ARG 41 -9.138 -6.280 -3.292 293 HD2 ARG 41 HD2 ARG 41 -7.766 -8.111 -1.296 294 HD3 ARG 41 HD1 ARG 41 -8.691 -8.683 -2.690 295 HE ARG 41 HE ARG 41 -6.838 -6.883 -3.656 296 HH11 ARG 41 HH11 ARG 41 -6.590 -9.926 -1.894 297 HH12 ARG 41 HH12 ARG 41 -5.231 -10.499 -2.749 298 HH21 ARG 41 HH21 ARG 41 -5.018 -7.661 -4.907 299 HH22 ARG 41 HH22 ARG 41 -4.294 -9.145 -4.525 300 H LYS 42 HN LYS 42 -6.246 -5.250 1.365 301 HA LYS 42 HA LYS 42 -6.582 -2.366 1.445 302 HB2 LYS 42 HB2 LYS 42 -6.927 -3.268 3.658 303 HB3 LYS 42 HB1 LYS 42 -5.474 -4.226 3.572 304 HG2 LYS 42 HG2 LYS 42 -5.295 -2.210 5.016 305 HG3 LYS 42 HG1 LYS 42 -4.085 -2.292 3.745 306 HD2 LYS 42 HD2 LYS 42 -5.283 -0.627 2.448 307 HD3 LYS 42 HD1 LYS 42 -6.606 -0.618 3.632 308 HE2 LYS 42 HE2 LYS 42 -5.288 0.304 5.266 309 HE3 LYS 42 HE1 LYS 42 -3.780 -0.024 4.420 310 HZ1 LYS 42 HZ1 LYS 42 -4.365 2.382 4.285 311 HZ2 LYS 42 HZ2 LYS 42 -5.813 2.034 3.504 312 HZ3 LYS 42 HZ3 LYS 42 -4.325 1.692 2.784 313 H CYS 43 HN CYS 43 -5.141 -1.252 0.557 314 HA CYS 43 HA CYS 43 -2.854 -2.317 -0.722 315 HB2 CYS 43 HB2 CYS 43 -4.051 -0.477 -1.661 316 HB3 CYS 43 HB1 CYS 43 -3.863 0.465 -0.197 317 H TYR 44 HN TYR 44 -0.785 -2.408 -0.015 318 HA TYR 44 HA TYR 44 -0.037 -0.847 2.305 319 HB2 TYR 44 HB2 TYR 44 0.445 -3.740 1.771 320 HB3 TYR 44 HB1 TYR 44 1.577 -2.792 2.722 321 HD1 TYR 44 HD1 TYR 44 -1.926 -3.864 2.541 322 HD2 TYR 44 HD2 TYR 44 1.190 -2.392 4.979 323 HE1 TYR 44 HE1 TYR 44 -3.267 -4.351 4.504 324 HE2 TYR 44 HE2 TYR 44 -0.123 -2.859 6.985 325 HH TYR 44 HH TYR 44 -2.589 -4.867 6.990 326 H CYS 45 HN CYS 45 1.930 -0.097 2.237 327 HA CYS 45 HA CYS 45 3.085 0.007 -0.393 328 HB2 CYS 45 HB2 CYS 45 3.634 1.695 2.051 329 HB3 CYS 45 HB1 CYS 45 4.107 2.044 0.424 330 H TYR 46 HN TYR 46 5.144 -0.627 -0.745 331 HA TYR 46 HA TYR 46 6.418 -2.006 1.483 332 HB2 TYR 46 HB2 TYR 46 6.273 -2.708 -1.411 333 HB3 TYR 46 HB1 TYR 46 7.524 -3.383 -0.374 334 HD1 TYR 46 HD1 TYR 46 7.083 -5.300 0.864 335 HD2 TYR 46 HD2 TYR 46 3.778 -3.123 -0.737 336 HE1 TYR 46 HE1 TYR 46 5.586 -7.080 1.536 337 HE2 TYR 46 HE2 TYR 46 2.282 -4.856 -0.048 338 HH TYR 46 HH TYR 46 2.378 -7.307 0.413 339 H LYS 47 HN LYS 47 8.423 -1.657 1.914 340 HA LYS 47 HA LYS 47 10.044 -0.102 0.116 341 HB2 LYS 47 HB2 LYS 47 10.626 1.585 1.851 342 HB3 LYS 47 HB1 LYS 47 8.963 1.690 1.306 343 HG2 LYS 47 HG2 LYS 47 8.213 0.589 3.346 344 HG3 LYS 47 HG1 LYS 47 9.874 0.402 3.889 345 HD2 LYS 47 HD2 LYS 47 10.121 2.857 3.868 346 HD3 LYS 47 HD1 LYS 47 8.418 3.001 3.435 347 HE2 LYS 47 HE2 LYS 47 8.642 3.311 5.815 348 HE3 LYS 47 HE1 LYS 47 7.846 1.766 5.513 349 HZ1 LYS 47 HZ1 LYS 47 9.537 1.549 7.225 350 HZ2 LYS 47 HZ2 LYS 47 10.721 2.137 6.177 351 HZ3 LYS 47 HZ3 LYS 47 10.007 0.652 5.872 352 HA PRO 48 HA PRO 48 13.069 -2.755 1.863 353 HB2 PRO 48 HB2 PRO 48 15.319 -1.487 1.075 354 HB3 PRO 48 HB1 PRO 48 14.271 -2.335 -0.083 355 HG2 PRO 48 HG2 PRO 48 14.477 0.571 0.463 356 HG3 PRO 48 HG1 PRO 48 14.260 -0.279 -1.080 357 HD2 PRO 48 HD2 PRO 48 12.204 0.912 0.267 358 HD3 PRO 48 HD1 PRO 48 12.013 -0.475 -0.822 359 H CYS 49 HN CYS 49 13.347 -2.866 3.869 360 HA CYS 49 HA CYS 49 14.785 -0.766 5.340 361 HB2 CYS 49 HB2 CYS 49 12.895 -2.959 6.251 362 HB3 CYS 49 HB1 CYS 49 13.765 -1.886 7.363 363 HA PRO 50 HA PRO 50 18.067 -3.862 5.763 364 HB2 PRO 50 HB2 PRO 50 17.726 -3.836 8.729 365 HB3 PRO 50 HB1 PRO 50 19.195 -3.533 7.776 366 HG2 PRO 50 HG2 PRO 50 17.982 -1.527 8.949 367 HG3 PRO 50 HG1 PRO 50 18.632 -1.351 7.307 368 HD2 PRO 50 HD2 PRO 50 15.801 -1.725 8.167 369 HD3 PRO 50 HD1 PRO 50 16.466 -0.679 6.895 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 15.897 -6.463 5.262 2 H2 ARG 1 HT2 ARG 1 15.348 -5.048 4.655 3 H3 ARG 1 HT3 ARG 1 15.501 -6.354 3.606 4 HA ARG 1 HA ARG 1 13.648 -7.428 4.687 5 HB2 ARG 1 HB2 ARG 1 13.883 -5.108 6.586 6 HB3 ARG 1 HB1 ARG 1 12.418 -6.058 6.451 7 HG2 ARG 1 HG2 ARG 1 13.523 -8.009 7.253 8 HG3 ARG 1 HG1 ARG 1 15.100 -7.214 7.159 9 HD2 ARG 1 HD2 ARG 1 14.506 -5.673 8.869 10 HD3 ARG 1 HD1 ARG 1 12.841 -6.215 8.875 11 HE ARG 1 HE ARG 1 13.512 -8.274 9.850 12 HH11 ARG 1 HH11 ARG 1 16.180 -5.943 9.715 13 HH12 ARG 1 HH12 ARG 1 17.005 -6.526 11.057 14 HH21 ARG 1 HH21 ARG 1 14.664 -9.150 11.753 15 HH22 ARG 1 HH22 ARG 1 16.120 -8.416 12.253 16 H MET 2 HN MET 2 11.484 -7.060 4.219 17 HA MET 2 HA MET 2 10.924 -4.688 2.562 18 HB2 MET 2 HB2 MET 2 9.773 -7.483 2.573 19 HB3 MET 2 HB1 MET 2 9.071 -6.137 1.692 20 HG2 MET 2 HG2 MET 2 11.017 -5.942 0.331 21 HG3 MET 2 HG1 MET 2 11.850 -7.168 1.287 22 HE1 MET 2 HE1 MET 2 11.618 -7.254 -1.923 23 HE2 MET 2 HE2 MET 2 11.240 -8.958 -2.177 24 HE3 MET 2 HE3 MET 2 12.443 -8.493 -0.976 25 H CYS 3 HN CYS 3 10.273 -3.336 3.922 26 HA CYS 3 HA CYS 3 8.535 -4.039 6.085 27 HB2 CYS 3 HB2 CYS 3 9.805 -1.554 5.086 28 HB3 CYS 3 HB1 CYS 3 8.464 -1.404 6.196 29 H LYS 4 HN LYS 4 6.490 -4.411 5.771 30 HA LYS 4 HA LYS 4 5.126 -3.209 3.511 31 HB2 LYS 4 HB2 LYS 4 4.940 -5.693 4.072 32 HB3 LYS 4 HB1 LYS 4 4.071 -5.226 5.527 33 HG2 LYS 4 HG2 LYS 4 2.303 -4.249 4.209 34 HG3 LYS 4 HG1 LYS 4 3.217 -4.539 2.738 35 HD2 LYS 4 HD2 LYS 4 1.516 -6.193 2.867 36 HD3 LYS 4 HD1 LYS 4 3.058 -6.966 3.179 37 HE2 LYS 4 HE2 LYS 4 2.595 -6.989 5.580 38 HE3 LYS 4 HE1 LYS 4 1.079 -6.130 5.313 39 HZ1 LYS 4 HZ1 LYS 4 0.781 -8.565 5.602 40 HZ2 LYS 4 HZ2 LYS 4 1.637 -8.837 4.167 41 HZ3 LYS 4 HZ3 LYS 4 0.185 -8.038 4.144 42 H THR 5 HN THR 5 4.298 -1.292 3.854 43 HA THR 5 HA THR 5 3.594 -0.391 6.550 44 HB THR 5 HB THR 5 4.326 1.054 4.019 45 HG1 THR 5 HG1 THR 5 5.854 -0.321 5.100 46 HG21 THR 5 HG21 THR 5 2.999 2.419 5.545 47 HG22 THR 5 HG22 THR 5 4.653 2.996 5.413 48 HG23 THR 5 HG23 THR 5 4.145 2.098 6.862 49 HA PRO 6 HA PRO 6 -0.588 -0.287 4.745 50 HB2 PRO 6 HB2 PRO 6 -1.550 1.261 6.983 51 HB3 PRO 6 HB1 PRO 6 -1.805 -0.462 6.629 52 HG2 PRO 6 HG2 PRO 6 -0.315 0.480 8.737 53 HG3 PRO 6 HG1 PRO 6 -0.195 -1.142 8.035 54 HD2 PRO 6 HD2 PRO 6 1.606 1.193 7.665 55 HD3 PRO 6 HD1 PRO 6 1.965 -0.546 7.664 56 H SER 7 HN SER 7 -0.887 1.045 3.074 57 HA SER 7 HA SER 7 -0.006 3.619 2.747 58 HB2 SER 7 HB2 SER 7 -2.469 2.525 1.463 59 HB3 SER 7 HB1 SER 7 -1.167 3.487 0.743 60 HG SER 7 HG SER 7 0.011 1.770 0.504 61 H GLY 8 HN GLY 8 -0.902 5.605 3.031 62 HA2 GLY 8 HA2 GLY 8 -3.071 5.731 4.958 63 HA3 GLY 8 HA1 GLY 8 -1.945 7.014 4.554 64 H LYS 9 HN LYS 9 -2.503 6.621 1.527 65 HA LYS 9 HA LYS 9 -5.029 8.102 1.732 66 HB2 LYS 9 HB2 LYS 9 -4.515 9.306 -0.071 67 HB3 LYS 9 HB1 LYS 9 -3.191 9.439 1.079 68 HG2 LYS 9 HG2 LYS 9 -1.848 8.090 -0.241 69 HG3 LYS 9 HG1 LYS 9 -3.183 7.702 -1.335 70 HD2 LYS 9 HD2 LYS 9 -3.501 10.137 -1.444 71 HD3 LYS 9 HD1 LYS 9 -1.845 10.273 -0.833 72 HE2 LYS 9 HE2 LYS 9 -2.757 8.670 -3.105 73 HE3 LYS 9 HE1 LYS 9 -1.930 10.235 -3.340 74 HZ1 LYS 9 HZ1 LYS 9 -0.329 8.408 -3.601 75 HZ2 LYS 9 HZ2 LYS 9 -0.824 7.713 -2.168 76 HZ3 LYS 9 HZ3 LYS 9 0.006 9.174 -2.133 77 H PHE 10 HN PHE 10 -4.127 5.235 1.152 78 HA PHE 10 HA PHE 10 -5.585 4.790 -1.269 79 HB2 PHE 10 HB2 PHE 10 -3.682 3.317 -0.296 80 HB3 PHE 10 HB1 PHE 10 -5.020 2.703 0.705 81 HD1 PHE 10 HD1 PHE 10 -6.697 1.239 -0.174 82 HD2 PHE 10 HD2 PHE 10 -3.849 3.130 -2.587 83 HE1 PHE 10 HE1 PHE 10 -7.412 -0.192 -2.051 84 HE2 PHE 10 HE2 PHE 10 -4.500 1.710 -4.538 85 HZ PHE 10 HZ PHE 10 -6.314 0.040 -4.251 86 H LYS 11 HN LYS 11 -7.589 4.935 -1.279 87 HA LYS 11 HA LYS 11 -9.212 3.622 0.740 88 HB2 LYS 11 HB2 LYS 11 -9.718 6.180 -0.777 89 HB3 LYS 11 HB1 LYS 11 -11.015 5.258 -0.035 90 HG2 LYS 11 HG2 LYS 11 -10.512 6.949 1.444 91 HG3 LYS 11 HG1 LYS 11 -9.735 5.476 2.085 92 HD2 LYS 11 HD2 LYS 11 -7.590 6.279 1.323 93 HD3 LYS 11 HD1 LYS 11 -8.347 7.708 0.611 94 HE2 LYS 11 HE2 LYS 11 -9.117 8.417 2.791 95 HE3 LYS 11 HE1 LYS 11 -8.435 6.971 3.528 96 HZ1 LYS 11 HZ1 LYS 11 -6.826 9.042 2.126 97 HZ2 LYS 11 HZ2 LYS 11 -6.229 7.744 3.058 98 HZ3 LYS 11 HZ3 LYS 11 -7.059 8.989 3.794 99 H GLY 12 HN GLY 12 -10.558 2.098 -0.088 100 HA2 GLY 12 HA2 GLY 12 -12.121 1.601 -1.922 101 HA3 GLY 12 HA1 GLY 12 -10.802 2.015 -3.011 102 H TYR 13 HN TYR 13 -11.150 -0.085 -3.889 103 HA TYR 13 HA TYR 13 -10.290 -2.318 -2.229 104 HB2 TYR 13 HB2 TYR 13 -11.960 -2.060 -4.636 105 HB3 TYR 13 HB1 TYR 13 -10.907 -3.466 -4.581 106 HD1 TYR 13 HD1 TYR 13 -13.871 -1.875 -3.173 107 HD2 TYR 13 HD2 TYR 13 -11.151 -5.116 -2.837 108 HE1 TYR 13 HE1 TYR 13 -15.472 -3.066 -1.727 109 HE2 TYR 13 HE2 TYR 13 -12.685 -6.312 -1.416 110 HH TYR 13 HH TYR 13 -14.661 -5.743 0.136 111 H CYS 14 HN CYS 14 -8.294 -3.012 -2.326 112 HA CYS 14 HA CYS 14 -6.627 -2.216 -4.551 113 HB2 CYS 14 HB2 CYS 14 -5.969 -2.152 -2.029 114 HB3 CYS 14 HB1 CYS 14 -5.731 -3.884 -2.205 115 H VAL 15 HN VAL 15 -8.392 -3.719 -5.559 116 HA VAL 15 HA VAL 15 -7.806 -6.485 -5.711 117 HB VAL 15 HB VAL 15 -9.076 -6.468 -7.896 118 HG11 VAL 15 HG11 VAL 15 -11.255 -5.840 -6.916 119 HG12 VAL 15 HG12 VAL 15 -10.397 -5.132 -5.544 120 HG13 VAL 15 HG13 VAL 15 -10.283 -6.861 -5.864 121 HG21 VAL 15 HG21 VAL 15 -10.248 -4.412 -8.570 122 HG22 VAL 15 HG22 VAL 15 -8.497 -4.215 -8.662 123 HG23 VAL 15 HG23 VAL 15 -9.391 -3.518 -7.314 124 H ASN 16 HN ASN 16 -6.535 -3.714 -7.270 125 HA ASN 16 HA ASN 16 -4.787 -5.357 -8.960 126 HB2 ASN 16 HB2 ASN 16 -6.207 -3.963 -10.307 127 HB3 ASN 16 HB1 ASN 16 -5.892 -2.567 -9.294 128 HD21 ASN 16 HD21 ASN 16 -5.246 -1.338 -10.967 129 HD22 ASN 16 HD22 ASN 16 -3.798 -1.561 -11.872 130 H ASN 17 HN ASN 17 -2.848 -5.464 -8.356 131 HA ASN 17 HA ASN 17 -1.695 -4.120 -6.176 132 HB2 ASN 17 HB2 ASN 17 -0.394 -5.657 -8.426 133 HB3 ASN 17 HB1 ASN 17 0.464 -5.089 -7.001 134 HD21 ASN 17 HD21 ASN 17 -0.115 -7.829 -8.043 135 HD22 ASN 17 HD22 ASN 17 -0.894 -8.626 -6.721 136 H THR 18 HN THR 18 -1.838 -3.329 -9.525 137 HA THR 18 HA THR 18 0.242 -1.449 -9.488 138 HB THR 18 HB THR 18 -2.102 -1.733 -11.379 139 HG1 THR 18 HG1 THR 18 -0.911 -3.296 -12.090 140 HG21 THR 18 HG21 THR 18 -0.785 -0.362 -12.952 141 HG22 THR 18 HG22 THR 18 0.452 -0.129 -11.716 142 HG23 THR 18 HG23 THR 18 -1.154 0.562 -11.492 143 H ASN 19 HN ASN 19 -3.171 -1.228 -8.535 144 HA ASN 19 HA ASN 19 -3.474 1.557 -8.391 145 HB2 ASN 19 HB2 ASN 19 -4.541 -0.682 -6.677 146 HB3 ASN 19 HB1 ASN 19 -4.881 0.994 -6.333 147 HD21 ASN 19 HD21 ASN 19 -6.927 0.758 -6.495 148 HD22 ASN 19 HD22 ASN 19 -7.801 0.491 -7.968 149 H CYS 20 HN CYS 20 -2.501 -0.859 -6.067 150 HA CYS 20 HA CYS 20 -1.933 0.693 -3.855 151 HB2 CYS 20 HB2 CYS 20 -1.889 -1.922 -4.272 152 HB3 CYS 20 HB1 CYS 20 -0.227 -1.587 -4.584 153 H LYS 21 HN LYS 21 0.116 -0.572 -6.409 154 HA LYS 21 HA LYS 21 2.378 0.259 -5.457 155 HB2 LYS 21 HB2 LYS 21 1.713 -1.100 -7.698 156 HB3 LYS 21 HB1 LYS 21 2.162 0.465 -8.392 157 HG2 LYS 21 HG2 LYS 21 4.349 0.341 -7.630 158 HG3 LYS 21 HG1 LYS 21 3.932 -0.984 -6.546 159 HD2 LYS 21 HD2 LYS 21 5.229 -1.809 -8.467 160 HD3 LYS 21 HD1 LYS 21 3.611 -2.486 -8.437 161 HE2 LYS 21 HE2 LYS 21 4.326 -0.104 -10.146 162 HE3 LYS 21 HE1 LYS 21 4.567 -1.755 -10.703 163 HZ1 LYS 21 HZ1 LYS 21 2.170 -2.132 -10.400 164 HZ2 LYS 21 HZ2 LYS 21 2.481 -0.916 -11.508 165 HZ3 LYS 21 HZ3 LYS 21 1.965 -0.514 -9.947 166 H ASN 22 HN ASN 22 0.103 1.956 -7.596 167 HA ASN 22 HA ASN 22 1.755 4.207 -8.101 168 HB2 ASN 22 HB2 ASN 22 -1.239 3.917 -8.402 169 HB3 ASN 22 HB1 ASN 22 -0.314 5.303 -8.954 170 HD21 ASN 22 HD21 ASN 22 -1.923 3.561 -10.530 171 HD22 ASN 22 HD22 ASN 22 -0.903 2.839 -11.716 172 H VAL 23 HN VAL 23 -0.885 3.574 -5.834 173 HA VAL 23 HA VAL 23 -0.946 6.195 -4.761 174 HB VAL 23 HB VAL 23 -1.827 3.590 -3.444 175 HG11 VAL 23 HG11 VAL 23 -2.488 6.447 -2.771 176 HG12 VAL 23 HG12 VAL 23 -1.493 5.361 -1.815 177 HG13 VAL 23 HG13 VAL 23 -3.222 5.044 -1.998 178 HG21 VAL 23 HG21 VAL 23 -4.140 4.325 -4.114 179 HG22 VAL 23 HG22 VAL 23 -3.138 3.896 -5.477 180 HG23 VAL 23 HG23 VAL 23 -3.409 5.604 -5.071 181 H CYS 24 HN CYS 24 0.824 3.303 -3.803 182 HA CYS 24 HA CYS 24 2.072 4.458 -1.579 183 HB2 CYS 24 HB2 CYS 24 2.753 2.132 -3.347 184 HB3 CYS 24 HB1 CYS 24 3.737 2.507 -1.947 185 H ARG 25 HN ARG 25 3.022 4.287 -4.952 186 HA ARG 25 HA ARG 25 5.559 5.456 -4.577 187 HB2 ARG 25 HB2 ARG 25 3.818 5.275 -7.029 188 HB3 ARG 25 HB1 ARG 25 5.470 5.891 -7.056 189 HG2 ARG 25 HG2 ARG 25 6.394 3.823 -6.555 190 HG3 ARG 25 HG1 ARG 25 4.888 3.211 -5.872 191 HD2 ARG 25 HD2 ARG 25 5.165 2.120 -7.934 192 HD3 ARG 25 HD1 ARG 25 3.913 3.331 -8.146 193 HE ARG 25 HE ARG 25 6.663 3.776 -8.930 194 HH11 ARG 25 HH11 ARG 25 3.192 3.800 -9.795 195 HH12 ARG 25 HH12 ARG 25 3.397 4.531 -11.293 196 HH21 ARG 25 HH21 ARG 25 6.952 4.802 -11.072 197 HH22 ARG 25 HH22 ARG 25 5.610 5.122 -12.064 198 H THR 26 HN THR 26 2.386 6.803 -4.965 199 HA THR 26 HA THR 26 3.391 9.478 -5.239 200 HB THR 26 HB THR 26 0.856 9.959 -4.645 201 HG1 THR 26 HG1 THR 26 0.655 7.387 -5.715 202 HG21 THR 26 HG21 THR 26 1.766 8.777 -7.257 203 HG22 THR 26 HG22 THR 26 1.919 10.475 -6.789 204 HG23 THR 26 HG23 THR 26 0.319 9.764 -7.039 205 H GLU 27 HN GLU 27 2.209 7.528 -2.629 206 HA GLU 27 HA GLU 27 2.302 9.590 -0.657 207 HB2 GLU 27 HB2 GLU 27 2.392 6.582 -0.329 208 HB3 GLU 27 HB1 GLU 27 2.517 7.666 1.052 209 HG2 GLU 27 HG2 GLU 27 0.353 8.646 0.467 210 HG3 GLU 27 HG1 GLU 27 0.290 7.556 -0.916 211 H GLY 28 HN GLY 28 4.759 7.496 -1.915 212 HA2 GLY 28 HA2 GLY 28 6.971 8.740 -1.948 213 HA3 GLY 28 HA1 GLY 28 6.714 8.934 -0.217 214 H PHE 29 HN PHE 29 6.010 6.075 -2.109 215 HA PHE 29 HA PHE 29 8.108 4.658 -0.639 216 HB2 PHE 29 HB2 PHE 29 5.370 3.707 -1.459 217 HB3 PHE 29 HB1 PHE 29 6.616 2.674 -0.777 218 HD1 PHE 29 HD1 PHE 29 4.280 5.417 -0.112 219 HD2 PHE 29 HD2 PHE 29 7.050 2.656 1.536 220 HE1 PHE 29 HE1 PHE 29 3.412 5.930 2.103 221 HE2 PHE 29 HE2 PHE 29 6.222 3.129 3.775 222 HZ PHE 29 HZ PHE 29 4.385 4.788 4.096 223 HA PRO 30 HA PRO 30 9.660 3.446 -4.601 224 HB2 PRO 30 HB2 PRO 30 10.313 0.804 -3.943 225 HB3 PRO 30 HB1 PRO 30 11.392 2.188 -3.756 226 HG2 PRO 30 HG2 PRO 30 9.827 0.757 -1.728 227 HG3 PRO 30 HG1 PRO 30 11.325 1.687 -1.555 228 HD2 PRO 30 HD2 PRO 30 8.905 2.563 -0.710 229 HD3 PRO 30 HD1 PRO 30 10.220 3.646 -1.190 230 H THR 31 HN THR 31 7.456 1.170 -2.909 231 HA THR 31 HA THR 31 6.057 0.729 -5.351 232 HB THR 31 HB THR 31 7.941 -0.791 -5.655 233 HG1 THR 31 HG1 THR 31 6.686 -2.835 -5.633 234 HG21 THR 31 HG21 THR 31 8.661 -1.113 -3.389 235 HG22 THR 31 HG22 THR 31 8.266 -2.715 -4.036 236 HG23 THR 31 HG23 THR 31 7.142 -1.875 -2.959 237 H GLY 32 HN GLY 32 4.390 -1.080 -4.872 238 HA2 GLY 32 HA2 GLY 32 3.535 -1.270 -2.132 239 HA3 GLY 32 HA1 GLY 32 2.484 -0.304 -3.173 240 H SER 33 HN SER 33 1.808 -2.722 -1.899 241 HA SER 33 HA SER 33 0.908 -4.238 -4.186 242 HB2 SER 33 HB2 SER 33 3.136 -5.277 -3.544 243 HB3 SER 33 HB1 SER 33 2.449 -5.633 -1.978 244 HG SER 33 HG SER 33 1.085 -7.093 -2.836 245 H CYS 34 HN CYS 34 -0.831 -5.750 -3.527 246 HA CYS 34 HA CYS 34 -2.367 -4.447 -1.469 247 HB2 CYS 34 HB2 CYS 34 -3.175 -6.555 -3.461 248 HB3 CYS 34 HB1 CYS 34 -4.251 -5.611 -2.436 249 H ASP 35 HN ASP 35 -3.574 -5.677 0.044 250 HA ASP 35 HA ASP 35 -2.495 -8.277 0.804 251 HB2 ASP 35 HB2 ASP 35 -1.117 -6.599 1.797 252 HB3 ASP 35 HB1 ASP 35 -2.532 -5.747 2.382 253 H PHE 36 HN PHE 36 -3.892 -9.321 2.337 254 HA PHE 36 HA PHE 36 -6.560 -8.186 2.453 255 HB2 PHE 36 HB2 PHE 36 -6.562 -10.038 0.844 256 HB3 PHE 36 HB1 PHE 36 -5.771 -11.085 2.006 257 HD1 PHE 36 HD1 PHE 36 -7.711 -12.567 1.228 258 HD2 PHE 36 HD2 PHE 36 -8.275 -9.093 3.598 259 HE1 PHE 36 HE1 PHE 36 -9.911 -13.424 1.960 260 HE2 PHE 36 HE2 PHE 36 -10.444 -9.906 4.341 261 HZ PHE 36 HZ PHE 36 -11.289 -12.099 3.518 262 H HIS 37 HN HIS 37 -6.671 -7.530 4.408 263 HA HIS 37 HA HIS 37 -6.251 -9.467 6.565 264 HB2 HIS 37 HB2 HIS 37 -4.675 -8.141 7.763 265 HB3 HIS 37 HB1 HIS 37 -4.298 -7.805 6.066 266 HD1 HIS 37 HD1 HIS 37 -5.533 -6.161 9.112 267 HD2 HIS 37 HD2 HIS 37 -4.897 -5.251 5.119 268 HE1 HIS 37 HE1 HIS 37 -5.594 -3.648 8.961 269 HE2 HIS 37 HE2 HIS 37 -4.551 -3.332 6.727 270 H VAL 38 HN VAL 38 -8.359 -7.689 5.022 271 HA VAL 38 HA VAL 38 -9.994 -7.037 7.272 272 HB VAL 38 HB VAL 38 -10.521 -4.714 6.235 273 HG11 VAL 38 HG11 VAL 38 -9.374 -4.841 8.374 274 HG12 VAL 38 HG12 VAL 38 -8.664 -3.553 7.381 275 HG13 VAL 38 HG13 VAL 38 -7.836 -5.090 7.547 276 HG21 VAL 38 HG21 VAL 38 -9.308 -5.026 4.104 277 HG22 VAL 38 HG22 VAL 38 -7.794 -5.118 5.010 278 HG23 VAL 38 HG23 VAL 38 -8.703 -3.622 4.995 279 H ALA 39 HN ALA 39 -12.187 -6.382 6.490 280 HA ALA 39 HA ALA 39 -12.960 -8.106 4.372 281 HB1 ALA 39 HB1 ALA 39 -14.436 -7.728 6.308 282 HB2 ALA 39 HB2 ALA 39 -15.241 -7.286 4.802 283 HB3 ALA 39 HB3 ALA 39 -14.592 -6.031 5.857 284 H GLY 40 HN GLY 40 -11.702 -7.300 2.769 285 HA2 GLY 40 HA2 GLY 40 -12.720 -5.954 0.738 286 HA3 GLY 40 HA1 GLY 40 -12.055 -4.658 1.743 287 H ARG 41 HN ARG 41 -10.342 -4.161 0.375 288 HA ARG 41 HA ARG 41 -8.186 -6.089 0.518 289 HB2 ARG 41 HB2 ARG 41 -9.120 -4.813 -2.061 290 HB3 ARG 41 HB1 ARG 41 -7.519 -5.553 -1.805 291 HG2 ARG 41 HG2 ARG 41 -8.425 -7.551 -1.365 292 HG3 ARG 41 HG1 ARG 41 -10.130 -7.043 -1.416 293 HD2 ARG 41 HD2 ARG 41 -9.654 -8.253 -3.422 294 HD3 ARG 41 HD1 ARG 41 -9.588 -6.553 -3.881 295 HE ARG 41 HE ARG 41 -7.134 -6.745 -3.632 296 HH11 ARG 41 HH11 ARG 41 -8.975 -9.697 -4.354 297 HH12 ARG 41 HH12 ARG 41 -7.720 -10.427 -5.235 298 HH21 ARG 41 HH21 ARG 41 -5.435 -7.732 -4.846 299 HH22 ARG 41 HH22 ARG 41 -5.631 -9.265 -5.541 300 H LYS 42 HN LYS 42 -6.429 -5.146 1.330 301 HA LYS 42 HA LYS 42 -6.536 -2.256 1.475 302 HB2 LYS 42 HB2 LYS 42 -6.681 -3.434 3.618 303 HB3 LYS 42 HB1 LYS 42 -5.239 -4.341 3.280 304 HG2 LYS 42 HG2 LYS 42 -4.860 -2.547 4.888 305 HG3 LYS 42 HG1 LYS 42 -3.890 -2.344 3.438 306 HD2 LYS 42 HD2 LYS 42 -5.373 -0.603 2.642 307 HD3 LYS 42 HD1 LYS 42 -6.472 -0.869 4.008 308 HE2 LYS 42 HE2 LYS 42 -4.865 -0.188 5.538 309 HE3 LYS 42 HE1 LYS 42 -3.578 -0.127 4.336 310 HZ1 LYS 42 HZ1 LYS 42 -4.871 1.726 3.233 311 HZ2 LYS 42 HZ2 LYS 42 -4.266 2.141 4.702 312 HZ3 LYS 42 HZ3 LYS 42 -5.914 1.761 4.562 313 H CYS 43 HN CYS 43 -4.719 -1.093 1.017 314 HA CYS 43 HA CYS 43 -2.717 -2.375 -0.651 315 HB2 CYS 43 HB2 CYS 43 -3.861 -0.475 -1.589 316 HB3 CYS 43 HB1 CYS 43 -3.541 0.479 -0.157 317 H TYR 44 HN TYR 44 -0.591 -2.364 -0.096 318 HA TYR 44 HA TYR 44 0.226 -0.948 2.283 319 HB2 TYR 44 HB2 TYR 44 0.630 -3.831 1.644 320 HB3 TYR 44 HB1 TYR 44 1.764 -2.934 2.644 321 HD1 TYR 44 HD1 TYR 44 -1.735 -3.973 2.371 322 HD2 TYR 44 HD2 TYR 44 1.331 -2.552 4.896 323 HE1 TYR 44 HE1 TYR 44 -3.132 -4.461 4.285 324 HE2 TYR 44 HE2 TYR 44 -0.034 -3.021 6.861 325 HH TYR 44 HH TYR 44 -2.507 -5.006 6.782 326 H CYS 45 HN CYS 45 2.103 -0.131 2.152 327 HA CYS 45 HA CYS 45 3.367 -0.059 -0.444 328 HB2 CYS 45 HB2 CYS 45 3.730 1.639 2.014 329 HB3 CYS 45 HB1 CYS 45 4.405 1.974 0.459 330 H TYR 46 HN TYR 46 5.417 -0.736 -0.747 331 HA TYR 46 HA TYR 46 6.654 -2.008 1.556 332 HB2 TYR 46 HB2 TYR 46 6.792 -2.721 -1.344 333 HB3 TYR 46 HB1 TYR 46 7.950 -3.339 -0.180 334 HD1 TYR 46 HD1 TYR 46 7.518 -5.349 0.809 335 HD2 TYR 46 HD2 TYR 46 4.237 -3.122 -0.717 336 HE1 TYR 46 HE1 TYR 46 6.044 -7.197 1.339 337 HE2 TYR 46 HE2 TYR 46 2.734 -4.922 -0.183 338 HH TYR 46 HH TYR 46 2.914 -7.437 0.091 339 H LYS 47 HN LYS 47 8.581 -1.558 2.158 340 HA LYS 47 HA LYS 47 10.235 0.036 0.448 341 HB2 LYS 47 HB2 LYS 47 10.705 1.710 2.268 342 HB3 LYS 47 HB1 LYS 47 9.113 1.825 1.547 343 HG2 LYS 47 HG2 LYS 47 8.135 0.739 3.498 344 HG3 LYS 47 HG1 LYS 47 9.737 0.532 4.207 345 HD2 LYS 47 HD2 LYS 47 10.035 2.944 4.308 346 HD3 LYS 47 HD1 LYS 47 8.476 3.190 3.522 347 HE2 LYS 47 HE2 LYS 47 8.299 3.535 5.931 348 HE3 LYS 47 HE1 LYS 47 7.353 2.137 5.429 349 HZ1 LYS 47 HZ1 LYS 47 9.152 0.709 6.177 350 HZ2 LYS 47 HZ2 LYS 47 8.561 1.670 7.431 351 HZ3 LYS 47 HZ3 LYS 47 10.036 2.060 6.693 352 HA PRO 48 HA PRO 48 13.224 -2.641 2.229 353 HB2 PRO 48 HB2 PRO 48 15.461 -1.326 1.452 354 HB3 PRO 48 HB1 PRO 48 14.452 -2.223 0.296 355 HG2 PRO 48 HG2 PRO 48 14.550 0.702 0.807 356 HG3 PRO 48 HG1 PRO 48 14.417 -0.175 -0.732 357 HD2 PRO 48 HD2 PRO 48 12.260 0.945 0.477 358 HD3 PRO 48 HD1 PRO 48 12.173 -0.523 -0.515 359 H CYS 49 HN CYS 49 13.478 -2.731 4.224 360 HA CYS 49 HA CYS 49 14.922 -0.633 5.674 361 HB2 CYS 49 HB2 CYS 49 13.808 -1.894 7.675 362 HB3 CYS 49 HB1 CYS 49 12.834 -0.755 6.756 363 HA PRO 50 HA PRO 50 18.146 -3.619 6.121 364 HB2 PRO 50 HB2 PRO 50 18.104 -3.383 9.082 365 HB3 PRO 50 HB1 PRO 50 19.430 -3.018 7.956 366 HG2 PRO 50 HG2 PRO 50 18.149 -1.060 9.174 367 HG3 PRO 50 HG1 PRO 50 18.655 -0.911 7.477 368 HD2 PRO 50 HD2 PRO 50 15.939 -1.488 8.573 369 HD3 PRO 50 HD1 PRO 50 16.416 -0.425 7.234 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 15.343 -5.022 4.484 2 H2 ARG 1 HT2 ARG 1 15.584 -6.396 3.543 3 H3 ARG 1 HT3 ARG 1 15.903 -6.366 5.221 4 HA ARG 1 HA ARG 1 13.690 -7.417 4.573 5 HB2 ARG 1 HB2 ARG 1 13.978 -5.184 6.564 6 HB3 ARG 1 HB1 ARG 1 12.478 -6.082 6.408 7 HG2 ARG 1 HG2 ARG 1 13.559 -8.116 7.066 8 HG3 ARG 1 HG1 ARG 1 15.144 -7.338 7.014 9 HD2 ARG 1 HD2 ARG 1 14.566 -5.902 8.834 10 HD3 ARG 1 HD1 ARG 1 12.906 -6.464 8.828 11 HE ARG 1 HE ARG 1 13.601 -8.559 9.667 12 HH11 ARG 1 HH11 ARG 1 16.294 -6.241 9.565 13 HH12 ARG 1 HH12 ARG 1 17.185 -6.951 10.797 14 HH21 ARG 1 HH21 ARG 1 14.854 -9.603 11.412 15 HH22 ARG 1 HH22 ARG 1 16.346 -8.928 11.882 16 H MET 2 HN MET 2 11.628 -7.175 3.929 17 HA MET 2 HA MET 2 10.991 -4.751 2.392 18 HB2 MET 2 HB2 MET 2 9.872 -7.566 2.395 19 HB3 MET 2 HB1 MET 2 9.174 -6.228 1.490 20 HG2 MET 2 HG2 MET 2 11.065 -6.035 0.126 21 HG3 MET 2 HG1 MET 2 12.011 -7.130 1.137 22 HE1 MET 2 HE1 MET 2 8.517 -8.417 -1.614 23 HE2 MET 2 HE2 MET 2 9.107 -6.760 -1.477 24 HE3 MET 2 HE3 MET 2 8.264 -7.512 -0.124 25 H CYS 3 HN CYS 3 10.268 -3.375 3.729 26 HA CYS 3 HA CYS 3 8.553 -4.122 5.905 27 HB2 CYS 3 HB2 CYS 3 9.869 -1.674 4.940 28 HB3 CYS 3 HB1 CYS 3 8.451 -1.451 5.975 29 H LYS 4 HN LYS 4 6.520 -4.495 5.595 30 HA LYS 4 HA LYS 4 5.148 -3.262 3.362 31 HB2 LYS 4 HB2 LYS 4 4.956 -5.743 3.882 32 HB3 LYS 4 HB1 LYS 4 4.133 -5.301 5.370 33 HG2 LYS 4 HG2 LYS 4 2.323 -4.312 4.131 34 HG3 LYS 4 HG1 LYS 4 3.201 -4.552 2.628 35 HD2 LYS 4 HD2 LYS 4 1.509 -6.223 2.780 36 HD3 LYS 4 HD1 LYS 4 3.079 -6.973 2.973 37 HE2 LYS 4 HE2 LYS 4 2.771 -7.095 5.396 38 HE3 LYS 4 HE1 LYS 4 1.218 -6.273 5.252 39 HZ1 LYS 4 HZ1 LYS 4 1.040 -8.737 5.465 40 HZ2 LYS 4 HZ2 LYS 4 1.757 -8.899 3.934 41 HZ3 LYS 4 HZ3 LYS 4 0.292 -8.136 4.112 42 H THR 5 HN THR 5 4.375 -1.332 3.759 43 HA THR 5 HA THR 5 3.734 -0.468 6.479 44 HB THR 5 HB THR 5 4.393 1.017 3.947 45 HG1 THR 5 HG1 THR 5 5.963 -0.384 4.954 46 HG21 THR 5 HG21 THR 5 4.815 2.920 5.409 47 HG22 THR 5 HG22 THR 5 4.262 1.988 6.818 48 HG23 THR 5 HG23 THR 5 3.142 2.387 5.496 49 HA PRO 6 HA PRO 6 -0.497 -0.304 4.821 50 HB2 PRO 6 HB2 PRO 6 -1.333 1.283 7.091 51 HB3 PRO 6 HB1 PRO 6 -1.677 -0.423 6.729 52 HG2 PRO 6 HG2 PRO 6 -0.091 0.405 8.801 53 HG3 PRO 6 HG1 PRO 6 -0.022 -1.195 8.045 54 HD2 PRO 6 HD2 PRO 6 1.798 1.129 7.676 55 HD3 PRO 6 HD1 PRO 6 2.139 -0.614 7.643 56 H SER 7 HN SER 7 -0.788 1.022 3.138 57 HA SER 7 HA SER 7 0.092 3.590 2.780 58 HB2 SER 7 HB2 SER 7 -2.395 2.497 1.541 59 HB3 SER 7 HB1 SER 7 -1.092 3.435 0.795 60 HG SER 7 HG SER 7 0.026 1.711 0.524 61 H GLY 8 HN GLY 8 -0.825 5.576 3.014 62 HA2 GLY 8 HA2 GLY 8 -2.979 5.736 4.968 63 HA3 GLY 8 HA1 GLY 8 -1.850 7.012 4.552 64 H LYS 9 HN LYS 9 -2.388 6.653 1.546 65 HA LYS 9 HA LYS 9 -4.845 8.167 1.802 66 HB2 LYS 9 HB2 LYS 9 -4.327 9.338 -0.138 67 HB3 LYS 9 HB1 LYS 9 -3.128 9.517 1.128 68 HG2 LYS 9 HG2 LYS 9 -1.789 7.865 -0.051 69 HG3 LYS 9 HG1 LYS 9 -2.906 7.984 -1.413 70 HD2 LYS 9 HD2 LYS 9 -2.751 10.380 -1.152 71 HD3 LYS 9 HD1 LYS 9 -1.399 10.061 -0.053 72 HE2 LYS 9 HE2 LYS 9 -0.469 8.603 -1.773 73 HE3 LYS 9 HE1 LYS 9 -1.656 9.248 -2.883 74 HZ1 LYS 9 HZ1 LYS 9 -0.731 11.478 -2.687 75 HZ2 LYS 9 HZ2 LYS 9 0.637 10.473 -2.928 76 HZ3 LYS 9 HZ3 LYS 9 0.248 10.992 -1.412 77 H PHE 10 HN PHE 10 -4.007 5.312 1.123 78 HA PHE 10 HA PHE 10 -5.574 4.888 -1.232 79 HB2 PHE 10 HB2 PHE 10 -3.536 3.518 -0.440 80 HB3 PHE 10 HB1 PHE 10 -4.701 2.780 0.666 81 HD1 PHE 10 HD1 PHE 10 -6.490 1.340 -0.155 82 HD2 PHE 10 HD2 PHE 10 -3.731 3.265 -2.663 83 HE1 PHE 10 HE1 PHE 10 -7.223 -0.129 -1.990 84 HE2 PHE 10 HE2 PHE 10 -4.428 1.782 -4.586 85 HZ PHE 10 HZ PHE 10 -6.187 0.091 -4.216 86 H LYS 11 HN LYS 11 -7.582 4.577 -1.189 87 HA LYS 11 HA LYS 11 -8.886 3.141 0.877 88 HB2 LYS 11 HB2 LYS 11 -10.798 4.930 1.008 89 HB3 LYS 11 HB1 LYS 11 -9.403 5.072 2.049 90 HG2 LYS 11 HG2 LYS 11 -9.370 6.509 -0.553 91 HG3 LYS 11 HG1 LYS 11 -10.402 7.166 0.734 92 HD2 LYS 11 HD2 LYS 11 -7.423 6.630 0.870 93 HD3 LYS 11 HD1 LYS 11 -8.167 8.209 0.641 94 HE2 LYS 11 HE2 LYS 11 -9.231 8.016 2.853 95 HE3 LYS 11 HE1 LYS 11 -8.477 6.442 3.085 96 HZ1 LYS 11 HZ1 LYS 11 -7.286 8.253 4.190 97 HZ2 LYS 11 HZ2 LYS 11 -6.964 8.973 2.694 98 HZ3 LYS 11 HZ3 LYS 11 -6.311 7.470 3.075 99 H GLY 12 HN GLY 12 -9.669 1.619 -0.240 100 HA2 GLY 12 HA2 GLY 12 -11.853 1.592 -1.723 101 HA3 GLY 12 HA1 GLY 12 -10.610 2.010 -2.908 102 H TYR 13 HN TYR 13 -11.299 -0.141 -3.758 103 HA TYR 13 HA TYR 13 -10.347 -2.410 -2.254 104 HB2 TYR 13 HB2 TYR 13 -11.984 -2.040 -4.664 105 HB3 TYR 13 HB1 TYR 13 -10.947 -3.459 -4.668 106 HD1 TYR 13 HD1 TYR 13 -11.145 -5.114 -2.870 107 HD2 TYR 13 HD2 TYR 13 -13.959 -1.968 -3.318 108 HE1 TYR 13 HE1 TYR 13 -12.687 -6.353 -1.489 109 HE2 TYR 13 HE2 TYR 13 -15.564 -3.201 -1.913 110 HH TYR 13 HH TYR 13 -14.725 -5.846 -0.014 111 H CYS 14 HN CYS 14 -8.328 -3.053 -2.264 112 HA CYS 14 HA CYS 14 -6.605 -2.235 -4.438 113 HB2 CYS 14 HB2 CYS 14 -6.006 -2.242 -1.892 114 HB3 CYS 14 HB1 CYS 14 -5.759 -3.966 -2.119 115 H VAL 15 HN VAL 15 -8.322 -3.714 -5.533 116 HA VAL 15 HA VAL 15 -7.761 -6.469 -5.714 117 HB VAL 15 HB VAL 15 -8.940 -6.411 -7.951 118 HG11 VAL 15 HG11 VAL 15 -10.205 -6.829 -5.948 119 HG12 VAL 15 HG12 VAL 15 -11.147 -5.789 -7.018 120 HG13 VAL 15 HG13 VAL 15 -10.319 -5.104 -5.619 121 HG21 VAL 15 HG21 VAL 15 -9.258 -3.470 -7.319 122 HG22 VAL 15 HG22 VAL 15 -10.077 -4.332 -8.621 123 HG23 VAL 15 HG23 VAL 15 -8.323 -4.145 -8.652 124 H ASN 16 HN ASN 16 -6.418 -3.724 -7.413 125 HA ASN 16 HA ASN 16 -4.578 -5.546 -8.819 126 HB2 ASN 16 HB2 ASN 16 -6.035 -4.060 -10.270 127 HB3 ASN 16 HB1 ASN 16 -5.260 -2.670 -9.530 128 HD21 ASN 16 HD21 ASN 16 -5.306 -3.337 -12.311 129 HD22 ASN 16 HD22 ASN 16 -3.688 -3.596 -12.826 130 H ASN 17 HN ASN 17 -2.658 -5.590 -8.069 131 HA ASN 17 HA ASN 17 -1.631 -4.143 -5.924 132 HB2 ASN 17 HB2 ASN 17 -0.147 -5.629 -8.099 133 HB3 ASN 17 HB1 ASN 17 0.583 -5.073 -6.601 134 HD21 ASN 17 HD21 ASN 17 0.229 -7.800 -7.710 135 HD22 ASN 17 HD22 ASN 17 -0.638 -8.656 -6.480 136 H THR 18 HN THR 18 -1.600 -3.440 -9.297 137 HA THR 18 HA THR 18 0.454 -1.520 -9.229 138 HB THR 18 HB THR 18 -1.701 -2.112 -11.249 139 HG1 THR 18 HG1 THR 18 -0.345 -3.629 -11.589 140 HG21 THR 18 HG21 THR 18 -1.019 0.254 -11.509 141 HG22 THR 18 HG22 THR 18 -0.464 -0.735 -12.854 142 HG23 THR 18 HG23 THR 18 0.676 -0.244 -11.594 143 H ASN 19 HN ASN 19 -2.951 -1.300 -8.348 144 HA ASN 19 HA ASN 19 -3.120 1.545 -8.662 145 HB2 ASN 19 HB2 ASN 19 -5.148 -0.011 -8.600 146 HB3 ASN 19 HB1 ASN 19 -4.780 -0.268 -6.892 147 HD21 ASN 19 HD21 ASN 19 -6.807 0.579 -6.275 148 HD22 ASN 19 HD22 ASN 19 -7.087 2.286 -6.341 149 H CYS 20 HN CYS 20 -2.534 -0.814 -6.156 150 HA CYS 20 HA CYS 20 -2.185 0.767 -3.878 151 HB2 CYS 20 HB2 CYS 20 -2.036 -1.845 -4.194 152 HB3 CYS 20 HB1 CYS 20 -0.411 -1.489 -4.617 153 H LYS 21 HN LYS 21 -0.006 -0.472 -6.288 154 HA LYS 21 HA LYS 21 2.271 0.295 -5.360 155 HB2 LYS 21 HB2 LYS 21 1.450 -0.954 -7.585 156 HB3 LYS 21 HB1 LYS 21 1.941 0.610 -8.249 157 HG2 LYS 21 HG2 LYS 21 4.171 0.298 -7.667 158 HG3 LYS 21 HG1 LYS 21 3.757 -1.071 -6.620 159 HD2 LYS 21 HD2 LYS 21 4.707 -1.833 -8.775 160 HD3 LYS 21 HD1 LYS 21 3.053 -2.388 -8.532 161 HE2 LYS 21 HE2 LYS 21 2.313 -0.407 -9.926 162 HE3 LYS 21 HE1 LYS 21 4.014 -0.145 -10.302 163 HZ1 LYS 21 HZ1 LYS 21 4.054 -2.431 -11.233 164 HZ2 LYS 21 HZ2 LYS 21 2.959 -1.419 -12.036 165 HZ3 LYS 21 HZ3 LYS 21 2.385 -2.553 -10.947 166 H ASN 22 HN ASN 22 0.137 1.965 -7.670 167 HA ASN 22 HA ASN 22 1.678 4.263 -8.136 168 HB2 ASN 22 HB2 ASN 22 -1.307 3.882 -8.383 169 HB3 ASN 22 HB1 ASN 22 -0.452 5.321 -8.916 170 HD21 ASN 22 HD21 ASN 22 -2.005 3.509 -10.488 171 HD22 ASN 22 HD22 ASN 22 -0.962 2.867 -11.703 172 H VAL 23 HN VAL 23 -0.988 3.709 -5.870 173 HA VAL 23 HA VAL 23 -0.999 6.301 -4.836 174 HB VAL 23 HB VAL 23 -1.819 3.720 -3.471 175 HG11 VAL 23 HG11 VAL 23 -3.178 5.167 -1.999 176 HG12 VAL 23 HG12 VAL 23 -2.479 6.578 -2.793 177 HG13 VAL 23 HG13 VAL 23 -1.452 5.506 -1.843 178 HG21 VAL 23 HG21 VAL 23 -3.362 5.735 -5.101 179 HG22 VAL 23 HG22 VAL 23 -4.120 4.551 -4.063 180 HG23 VAL 23 HG23 VAL 23 -3.141 4.002 -5.441 181 H CYS 24 HN CYS 24 0.683 3.406 -3.693 182 HA CYS 24 HA CYS 24 2.027 4.548 -1.538 183 HB2 CYS 24 HB2 CYS 24 2.640 2.200 -3.304 184 HB3 CYS 24 HB1 CYS 24 3.664 2.570 -1.932 185 H ARG 25 HN ARG 25 2.995 4.296 -4.911 186 HA ARG 25 HA ARG 25 5.544 5.416 -4.585 187 HB2 ARG 25 HB2 ARG 25 3.734 5.305 -6.992 188 HB3 ARG 25 HB1 ARG 25 5.408 5.849 -7.056 189 HG2 ARG 25 HG2 ARG 25 6.253 3.736 -6.547 190 HG3 ARG 25 HG1 ARG 25 4.714 3.178 -5.895 191 HD2 ARG 25 HD2 ARG 25 4.998 2.117 -7.991 192 HD3 ARG 25 HD1 ARG 25 3.774 3.375 -8.170 193 HE ARG 25 HE ARG 25 6.540 3.775 -8.899 194 HH11 ARG 25 HH11 ARG 25 3.094 3.820 -9.867 195 HH12 ARG 25 HH12 ARG 25 3.344 4.574 -11.343 196 HH21 ARG 25 HH21 ARG 25 6.896 4.828 -11.025 197 HH22 ARG 25 HH22 ARG 25 5.578 5.163 -12.045 198 H THR 26 HN THR 26 2.375 6.784 -4.953 199 HA THR 26 HA THR 26 3.365 9.474 -5.259 200 HB THR 26 HB THR 26 0.485 8.627 -4.759 201 HG1 THR 26 HG1 THR 26 1.359 7.536 -6.612 202 HG21 THR 26 HG21 THR 26 -0.056 10.682 -5.979 203 HG22 THR 26 HG22 THR 26 1.658 11.014 -6.209 204 HG23 THR 26 HG23 THR 26 0.965 11.062 -4.591 205 H GLU 27 HN GLU 27 2.513 7.378 -2.574 206 HA GLU 27 HA GLU 27 2.302 9.524 -0.683 207 HB2 GLU 27 HB2 GLU 27 2.617 6.530 -0.286 208 HB3 GLU 27 HB1 GLU 27 2.599 7.655 1.071 209 HG2 GLU 27 HG2 GLU 27 0.381 8.433 0.313 210 HG3 GLU 27 HG1 GLU 27 0.444 7.197 -0.941 211 H GLY 28 HN GLY 28 4.823 7.428 -1.797 212 HA2 GLY 28 HA2 GLY 28 7.009 8.781 -1.867 213 HA3 GLY 28 HA1 GLY 28 6.755 8.911 -0.129 214 H PHE 29 HN PHE 29 6.035 6.105 -2.094 215 HA PHE 29 HA PHE 29 8.132 4.650 -0.669 216 HB2 PHE 29 HB2 PHE 29 5.364 3.767 -1.456 217 HB3 PHE 29 HB1 PHE 29 6.595 2.673 -0.851 218 HD1 PHE 29 HD1 PHE 29 4.327 5.411 -0.035 219 HD2 PHE 29 HD2 PHE 29 7.142 2.615 1.463 220 HE1 PHE 29 HE1 PHE 29 3.537 5.881 2.219 221 HE2 PHE 29 HE2 PHE 29 6.403 3.042 3.737 222 HZ PHE 29 HZ PHE 29 4.576 4.699 4.154 223 HA PRO 30 HA PRO 30 9.667 3.501 -4.658 224 HB2 PRO 30 HB2 PRO 30 10.299 0.841 -4.018 225 HB3 PRO 30 HB1 PRO 30 11.394 2.217 -3.847 226 HG2 PRO 30 HG2 PRO 30 9.845 0.803 -1.788 227 HG3 PRO 30 HG1 PRO 30 11.350 1.723 -1.638 228 HD2 PRO 30 HD2 PRO 30 8.956 2.615 -0.760 229 HD3 PRO 30 HD1 PRO 30 10.264 3.691 -1.277 230 H THR 31 HN THR 31 7.457 1.224 -2.988 231 HA THR 31 HA THR 31 6.024 0.829 -5.417 232 HB THR 31 HB THR 31 7.903 -0.686 -5.782 233 HG1 THR 31 HG1 THR 31 6.689 -2.696 -5.892 234 HG21 THR 31 HG21 THR 31 8.253 -2.648 -4.236 235 HG22 THR 31 HG22 THR 31 7.146 -1.848 -3.100 236 HG23 THR 31 HG23 THR 31 8.654 -1.075 -3.543 237 H GLY 32 HN GLY 32 4.390 -1.076 -4.918 238 HA2 GLY 32 HA2 GLY 32 3.549 -1.242 -2.179 239 HA3 GLY 32 HA1 GLY 32 2.486 -0.286 -3.219 240 H SER 33 HN SER 33 1.706 -2.648 -1.977 241 HA SER 33 HA SER 33 0.821 -4.146 -4.251 242 HB2 SER 33 HB2 SER 33 3.107 -5.151 -3.662 243 HB3 SER 33 HB1 SER 33 2.397 -5.643 -2.139 244 HG SER 33 HG SER 33 2.286 -7.322 -3.661 245 H CYS 34 HN CYS 34 -0.739 -5.923 -3.427 246 HA CYS 34 HA CYS 34 -2.311 -4.545 -1.412 247 HB2 CYS 34 HB2 CYS 34 -3.161 -6.586 -3.453 248 HB3 CYS 34 HB1 CYS 34 -4.221 -5.683 -2.378 249 H ASP 35 HN ASP 35 -3.556 -5.768 0.063 250 HA ASP 35 HA ASP 35 -2.569 -8.409 0.825 251 HB2 ASP 35 HB2 ASP 35 -1.143 -6.768 1.861 252 HB3 ASP 35 HB1 ASP 35 -2.533 -5.865 2.412 253 H PHE 36 HN PHE 36 -4.093 -9.364 2.415 254 HA PHE 36 HA PHE 36 -6.684 -8.048 2.465 255 HB2 PHE 36 HB2 PHE 36 -6.601 -10.009 0.828 256 HB3 PHE 36 HB1 PHE 36 -6.242 -11.042 2.202 257 HD1 PHE 36 HD1 PHE 36 -8.183 -9.808 4.209 258 HD2 PHE 36 HD2 PHE 36 -8.644 -10.875 0.122 259 HE1 PHE 36 HE1 PHE 36 -10.562 -10.133 4.601 260 HE2 PHE 36 HE2 PHE 36 -11.066 -11.211 0.486 261 HZ PHE 36 HZ PHE 36 -12.034 -10.852 2.725 262 H HIS 37 HN HIS 37 -6.732 -7.451 4.458 263 HA HIS 37 HA HIS 37 -6.413 -9.506 6.523 264 HB2 HIS 37 HB2 HIS 37 -4.816 -8.264 7.803 265 HB3 HIS 37 HB1 HIS 37 -4.387 -7.939 6.114 266 HD1 HIS 37 HD1 HIS 37 -5.624 -6.244 9.136 267 HD2 HIS 37 HD2 HIS 37 -4.811 -5.368 5.172 268 HE1 HIS 37 HE1 HIS 37 -5.547 -3.732 8.992 269 HE2 HIS 37 HE2 HIS 37 -4.402 -3.479 6.795 270 H VAL 38 HN VAL 38 -8.429 -7.659 5.035 271 HA VAL 38 HA VAL 38 -10.073 -6.996 7.264 272 HB VAL 38 HB VAL 38 -10.516 -4.641 6.253 273 HG11 VAL 38 HG11 VAL 38 -8.660 -3.546 7.435 274 HG12 VAL 38 HG12 VAL 38 -7.839 -5.096 7.563 275 HG13 VAL 38 HG13 VAL 38 -9.380 -4.844 8.395 276 HG21 VAL 38 HG21 VAL 38 -8.680 -3.597 5.010 277 HG22 VAL 38 HG22 VAL 38 -9.279 -5.011 4.124 278 HG23 VAL 38 HG23 VAL 38 -7.790 -5.107 5.056 279 H ALA 39 HN ALA 39 -12.238 -6.406 6.497 280 HA ALA 39 HA ALA 39 -13.003 -8.048 4.346 281 HB1 ALA 39 HB1 ALA 39 -14.637 -5.966 5.814 282 HB2 ALA 39 HB2 ALA 39 -14.482 -7.662 6.276 283 HB3 ALA 39 HB3 ALA 39 -15.279 -7.228 4.762 284 H GLY 40 HN GLY 40 -11.790 -7.283 2.739 285 HA2 GLY 40 HA2 GLY 40 -12.780 -5.946 0.692 286 HA3 GLY 40 HA1 GLY 40 -12.096 -4.644 1.679 287 H ARG 41 HN ARG 41 -10.330 -4.165 0.420 288 HA ARG 41 HA ARG 41 -8.214 -6.133 0.557 289 HB2 ARG 41 HB2 ARG 41 -9.110 -4.832 -2.027 290 HB3 ARG 41 HB1 ARG 41 -7.508 -5.575 -1.774 291 HG2 ARG 41 HG2 ARG 41 -8.436 -7.579 -1.347 292 HG3 ARG 41 HG1 ARG 41 -10.134 -7.054 -1.427 293 HD2 ARG 41 HD2 ARG 41 -9.641 -8.246 -3.437 294 HD3 ARG 41 HD1 ARG 41 -9.540 -6.543 -3.879 295 HE ARG 41 HE ARG 41 -7.108 -6.755 -3.632 296 HH11 ARG 41 HH11 ARG 41 -8.925 -9.750 -4.230 297 HH12 ARG 41 HH12 ARG 41 -7.656 -10.514 -5.060 298 HH21 ARG 41 HH21 ARG 41 -5.390 -7.787 -4.777 299 HH22 ARG 41 HH22 ARG 41 -5.564 -9.354 -5.395 300 H LYS 42 HN LYS 42 -6.405 -5.211 1.349 301 HA LYS 42 HA LYS 42 -6.511 -2.320 1.549 302 HB2 LYS 42 HB2 LYS 42 -6.669 -3.483 3.685 303 HB3 LYS 42 HB1 LYS 42 -5.262 -4.441 3.348 304 HG2 LYS 42 HG2 LYS 42 -4.825 -2.663 4.963 305 HG3 LYS 42 HG1 LYS 42 -3.840 -2.498 3.519 306 HD2 LYS 42 HD2 LYS 42 -5.261 -0.699 2.716 307 HD3 LYS 42 HD1 LYS 42 -6.359 -0.918 4.088 308 HE2 LYS 42 HE2 LYS 42 -4.730 -0.279 5.612 309 HE3 LYS 42 HE1 LYS 42 -3.432 -0.315 4.422 310 HZ1 LYS 42 HZ1 LYS 42 -5.684 1.686 4.519 311 HZ2 LYS 42 HZ2 LYS 42 -4.527 1.595 3.292 312 HZ3 LYS 42 HZ3 LYS 42 -4.050 2.013 4.808 313 H CYS 43 HN CYS 43 -4.766 -1.145 1.011 314 HA CYS 43 HA CYS 43 -2.730 -2.383 -0.641 315 HB2 CYS 43 HB2 CYS 43 -3.881 -0.488 -1.549 316 HB3 CYS 43 HB1 CYS 43 -3.603 0.443 -0.093 317 H TYR 44 HN TYR 44 -0.597 -2.339 -0.120 318 HA TYR 44 HA TYR 44 0.243 -0.964 2.276 319 HB2 TYR 44 HB2 TYR 44 0.658 -3.831 1.577 320 HB3 TYR 44 HB1 TYR 44 1.792 -2.945 2.586 321 HD1 TYR 44 HD1 TYR 44 1.334 -2.525 4.841 322 HD2 TYR 44 HD2 TYR 44 -1.660 -4.114 2.328 323 HE1 TYR 44 HE1 TYR 44 -0.009 -3.040 6.811 324 HE2 TYR 44 HE2 TYR 44 -3.042 -4.639 4.250 325 HH TYR 44 HH TYR 44 -2.391 -5.148 6.745 326 H CYS 45 HN CYS 45 2.145 -0.151 2.132 327 HA CYS 45 HA CYS 45 3.354 -0.036 -0.491 328 HB2 CYS 45 HB2 CYS 45 3.815 1.618 1.990 329 HB3 CYS 45 HB1 CYS 45 4.429 1.973 0.415 330 H TYR 46 HN TYR 46 5.433 -0.678 -0.841 331 HA TYR 46 HA TYR 46 6.694 -2.030 1.409 332 HB2 TYR 46 HB2 TYR 46 6.748 -2.681 -1.504 333 HB3 TYR 46 HB1 TYR 46 7.957 -3.314 -0.396 334 HD1 TYR 46 HD1 TYR 46 7.565 -5.349 0.574 335 HD2 TYR 46 HD2 TYR 46 4.235 -3.088 -0.794 336 HE1 TYR 46 HE1 TYR 46 6.103 -7.207 1.115 337 HE2 TYR 46 HE2 TYR 46 2.744 -4.905 -0.251 338 HH TYR 46 HH TYR 46 2.871 -7.372 0.007 339 H LYS 47 HN LYS 47 8.650 -1.628 1.966 340 HA LYS 47 HA LYS 47 10.301 0.037 0.304 341 HB2 LYS 47 HB2 LYS 47 10.731 1.688 2.117 342 HB3 LYS 47 HB1 LYS 47 9.088 1.743 1.504 343 HG2 LYS 47 HG2 LYS 47 8.283 0.575 3.468 344 HG3 LYS 47 HG1 LYS 47 9.922 0.367 4.068 345 HD2 LYS 47 HD2 LYS 47 10.151 2.825 4.182 346 HD3 LYS 47 HD1 LYS 47 8.466 2.979 3.687 347 HE2 LYS 47 HE2 LYS 47 8.609 3.168 6.093 348 HE3 LYS 47 HE1 LYS 47 7.809 1.652 5.674 349 HZ1 LYS 47 HZ1 LYS 47 9.924 0.490 6.067 350 HZ2 LYS 47 HZ2 LYS 47 9.433 1.321 7.440 351 HZ3 LYS 47 HZ3 LYS 47 10.662 1.946 6.471 352 HA PRO 48 HA PRO 48 13.299 -2.595 2.197 353 HB2 PRO 48 HB2 PRO 48 15.557 -1.237 1.626 354 HB3 PRO 48 HB1 PRO 48 14.623 -2.056 0.355 355 HG2 PRO 48 HG2 PRO 48 14.693 0.827 1.052 356 HG3 PRO 48 HG1 PRO 48 14.642 0.049 -0.543 357 HD2 PRO 48 HD2 PRO 48 12.435 1.108 0.656 358 HD3 PRO 48 HD1 PRO 48 12.387 -0.246 -0.489 359 H CYS 49 HN CYS 49 13.522 -2.802 4.172 360 HA CYS 49 HA CYS 49 14.752 -0.722 5.862 361 HB2 CYS 49 HB2 CYS 49 12.929 -3.056 6.522 362 HB3 CYS 49 HB1 CYS 49 13.699 -2.030 7.748 363 HA PRO 50 HA PRO 50 18.140 -3.632 6.123 364 HB2 PRO 50 HB2 PRO 50 18.125 -3.567 9.084 365 HB3 PRO 50 HB1 PRO 50 19.398 -3.021 7.972 366 HG2 PRO 50 HG2 PRO 50 17.979 -1.270 9.362 367 HG3 PRO 50 HG1 PRO 50 18.487 -0.938 7.693 368 HD2 PRO 50 HD2 PRO 50 15.811 -1.801 8.698 369 HD3 PRO 50 HD1 PRO 50 16.218 -0.588 7.466 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 15.620 -6.620 5.368 2 H2 ARG 1 HT2 ARG 1 15.098 -5.198 4.763 3 H3 ARG 1 HT3 ARG 1 15.155 -6.525 3.732 4 HA ARG 1 HA ARG 1 13.313 -7.516 4.919 5 HB2 ARG 1 HB2 ARG 1 13.707 -5.163 6.753 6 HB3 ARG 1 HB1 ARG 1 12.204 -6.066 6.708 7 HG2 ARG 1 HG2 ARG 1 13.300 -8.048 7.479 8 HG3 ARG 1 HG1 ARG 1 14.886 -7.286 7.316 9 HD2 ARG 1 HD2 ARG 1 14.375 -5.710 9.036 10 HD3 ARG 1 HD1 ARG 1 12.714 -6.263 9.129 11 HE ARG 1 HE ARG 1 13.440 -8.304 10.093 12 HH11 ARG 1 HH11 ARG 1 16.109 -5.987 9.768 13 HH12 ARG 1 HH12 ARG 1 17.018 -6.579 11.049 14 HH21 ARG 1 HH21 ARG 1 14.713 -9.186 11.908 15 HH22 ARG 1 HH22 ARG 1 16.205 -8.463 12.304 16 H MET 2 HN MET 2 11.163 -7.128 4.433 17 HA MET 2 HA MET 2 10.673 -4.747 2.783 18 HB2 MET 2 HB2 MET 2 9.334 -7.448 2.892 19 HB3 MET 2 HB1 MET 2 8.683 -6.074 2.012 20 HG2 MET 2 HG2 MET 2 10.665 -6.006 0.629 21 HG3 MET 2 HG1 MET 2 11.345 -7.358 1.527 22 HE1 MET 2 HE1 MET 2 8.663 -9.196 1.889 23 HE2 MET 2 HE2 MET 2 10.245 -9.842 1.454 24 HE3 MET 2 HE3 MET 2 8.830 -10.251 0.485 25 H CYS 3 HN CYS 3 9.940 -3.277 3.888 26 HA CYS 3 HA CYS 3 8.293 -3.766 6.208 27 HB2 CYS 3 HB2 CYS 3 9.682 -1.469 5.009 28 HB3 CYS 3 HB1 CYS 3 8.296 -1.090 6.040 29 H LYS 4 HN LYS 4 6.237 -4.059 5.999 30 HA LYS 4 HA LYS 4 4.855 -3.009 3.672 31 HB2 LYS 4 HB2 LYS 4 4.690 -5.453 4.425 32 HB3 LYS 4 HB1 LYS 4 3.806 -4.870 5.828 33 HG2 LYS 4 HG2 LYS 4 2.040 -4.036 4.429 34 HG3 LYS 4 HG1 LYS 4 2.985 -4.383 2.994 35 HD2 LYS 4 HD2 LYS 4 1.336 -6.079 3.176 36 HD3 LYS 4 HD1 LYS 4 2.888 -6.789 3.555 37 HE2 LYS 4 HE2 LYS 4 2.384 -6.678 5.952 38 HE3 LYS 4 HE1 LYS 4 0.822 -5.939 5.590 39 HZ1 LYS 4 HZ1 LYS 4 0.628 -8.360 5.986 40 HZ2 LYS 4 HZ2 LYS 4 1.620 -8.659 4.645 41 HZ3 LYS 4 HZ3 LYS 4 0.137 -7.959 4.444 42 H THR 5 HN THR 5 4.089 -1.037 3.935 43 HA THR 5 HA THR 5 3.376 -0.009 6.590 44 HB THR 5 HB THR 5 4.251 1.303 4.030 45 HG1 THR 5 HG1 THR 5 5.583 -0.036 5.620 46 HG21 THR 5 HG21 THR 5 2.862 2.797 5.334 47 HG22 THR 5 HG22 THR 5 4.541 3.322 5.351 48 HG23 THR 5 HG23 THR 5 3.854 2.517 6.780 49 HA PRO 6 HA PRO 6 -0.814 0.151 4.797 50 HB2 PRO 6 HB2 PRO 6 -1.747 1.843 6.925 51 HB3 PRO 6 HB1 PRO 6 -2.002 0.106 6.713 52 HG2 PRO 6 HG2 PRO 6 -0.475 1.229 8.714 53 HG3 PRO 6 HG1 PRO 6 -0.417 -0.460 8.183 54 HD2 PRO 6 HD2 PRO 6 1.474 1.748 7.599 55 HD3 PRO 6 HD1 PRO 6 1.751 -0.001 7.716 56 H SER 7 HN SER 7 -1.182 1.391 3.070 57 HA SER 7 HA SER 7 -0.324 3.978 2.613 58 HB2 SER 7 HB2 SER 7 -2.722 2.648 1.420 59 HB3 SER 7 HB1 SER 7 -1.577 3.735 0.630 60 HG SER 7 HG SER 7 -0.118 2.196 0.543 61 H GLY 8 HN GLY 8 -1.456 5.963 2.611 62 HA2 GLY 8 HA2 GLY 8 -3.756 5.984 4.445 63 HA3 GLY 8 HA1 GLY 8 -2.553 7.256 4.337 64 H LYS 9 HN LYS 9 -2.651 7.057 1.281 65 HA LYS 9 HA LYS 9 -5.088 8.715 1.063 66 HB2 LYS 9 HB2 LYS 9 -4.065 9.873 -0.615 67 HB3 LYS 9 HB1 LYS 9 -3.055 9.877 0.827 68 HG2 LYS 9 HG2 LYS 9 -1.658 8.220 -0.159 69 HG3 LYS 9 HG1 LYS 9 -2.621 8.219 -1.634 70 HD2 LYS 9 HD2 LYS 9 -2.428 10.679 -1.368 71 HD3 LYS 9 HD1 LYS 9 -0.969 10.279 -0.438 72 HE2 LYS 9 HE2 LYS 9 -0.398 8.693 -2.301 73 HE3 LYS 9 HE1 LYS 9 -1.655 9.487 -3.214 74 HZ1 LYS 9 HZ1 LYS 9 0.764 10.851 -2.131 75 HZ2 LYS 9 HZ2 LYS 9 -0.478 11.630 -2.969 76 HZ3 LYS 9 HZ3 LYS 9 0.508 10.502 -3.753 77 H PHE 10 HN PHE 10 -4.540 5.841 0.685 78 HA PHE 10 HA PHE 10 -4.897 5.251 -2.053 79 HB2 PHE 10 HB2 PHE 10 -3.915 3.703 -0.380 80 HB3 PHE 10 HB1 PHE 10 -5.526 3.479 0.297 81 HD1 PHE 10 HD1 PHE 10 -6.849 1.764 -0.552 82 HD2 PHE 10 HD2 PHE 10 -3.739 3.461 -2.822 83 HE1 PHE 10 HE1 PHE 10 -7.301 0.118 -2.319 84 HE2 PHE 10 HE2 PHE 10 -4.155 1.792 -4.653 85 HZ PHE 10 HZ PHE 10 -5.947 0.131 -4.375 86 H LYS 11 HN LYS 11 -6.547 4.732 -3.193 87 HA LYS 11 HA LYS 11 -9.187 5.102 -2.089 88 HB2 LYS 11 HB2 LYS 11 -9.667 6.322 -4.389 89 HB3 LYS 11 HB1 LYS 11 -9.029 7.214 -3.016 90 HG2 LYS 11 HG2 LYS 11 -7.921 7.908 -5.029 91 HG3 LYS 11 HG1 LYS 11 -6.774 7.033 -4.025 92 HD2 LYS 11 HD2 LYS 11 -7.082 5.046 -5.419 93 HD3 LYS 11 HD1 LYS 11 -8.250 5.915 -6.409 94 HE2 LYS 11 HE2 LYS 11 -6.538 7.522 -7.012 95 HE3 LYS 11 HE1 LYS 11 -5.365 6.657 -6.017 96 HZ1 LYS 11 HZ1 LYS 11 -6.745 5.557 -8.420 97 HZ2 LYS 11 HZ2 LYS 11 -5.642 4.703 -7.477 98 HZ3 LYS 11 HZ3 LYS 11 -5.131 6.045 -8.355 99 H GLY 12 HN GLY 12 -10.652 3.712 -2.736 100 HA2 GLY 12 HA2 GLY 12 -11.784 2.339 -4.276 101 HA3 GLY 12 HA1 GLY 12 -10.323 2.267 -5.248 102 H TYR 13 HN TYR 13 -11.506 -0.048 -4.932 103 HA TYR 13 HA TYR 13 -10.581 -1.479 -2.654 104 HB2 TYR 13 HB2 TYR 13 -12.389 -1.907 -4.793 105 HB3 TYR 13 HB1 TYR 13 -11.186 -3.194 -4.853 106 HD1 TYR 13 HD1 TYR 13 -11.115 -4.887 -3.196 107 HD2 TYR 13 HD2 TYR 13 -13.728 -1.571 -2.761 108 HE1 TYR 13 HE1 TYR 13 -12.225 -6.022 -1.347 109 HE2 TYR 13 HE2 TYR 13 -14.858 -2.675 -0.921 110 HH TYR 13 HH TYR 13 -15.187 -4.972 -0.022 111 H CYS 14 HN CYS 14 -8.680 -2.494 -2.428 112 HA CYS 14 HA CYS 14 -6.745 -2.122 -4.526 113 HB2 CYS 14 HB2 CYS 14 -6.391 -1.888 -1.916 114 HB3 CYS 14 HB1 CYS 14 -6.108 -3.618 -1.996 115 H VAL 15 HN VAL 15 -8.219 -3.579 -5.792 116 HA VAL 15 HA VAL 15 -7.547 -6.385 -5.485 117 HB VAL 15 HB VAL 15 -8.907 -6.762 -7.549 118 HG11 VAL 15 HG11 VAL 15 -11.085 -6.182 -6.560 119 HG12 VAL 15 HG12 VAL 15 -10.262 -5.136 -5.401 120 HG13 VAL 15 HG13 VAL 15 -9.977 -6.875 -5.375 121 HG21 VAL 15 HG21 VAL 15 -8.513 -4.616 -8.672 122 HG22 VAL 15 HG22 VAL 15 -9.416 -3.780 -7.408 123 HG23 VAL 15 HG23 VAL 15 -10.241 -4.911 -8.480 124 H ASN 16 HN ASN 16 -6.458 -3.649 -7.194 125 HA ASN 16 HA ASN 16 -4.610 -5.317 -8.748 126 HB2 ASN 16 HB2 ASN 16 -6.025 -4.104 -10.288 127 HB3 ASN 16 HB1 ASN 16 -5.782 -2.603 -9.411 128 HD21 ASN 16 HD21 ASN 16 -5.127 -1.624 -11.355 129 HD22 ASN 16 HD22 ASN 16 -3.569 -1.894 -12.039 130 H ASN 17 HN ASN 17 -2.744 -5.360 -8.021 131 HA ASN 17 HA ASN 17 -1.688 -3.881 -5.912 132 HB2 ASN 17 HB2 ASN 17 -0.273 -5.513 -8.024 133 HB3 ASN 17 HB1 ASN 17 0.524 -4.851 -6.605 134 HD21 ASN 17 HD21 ASN 17 0.025 -7.645 -7.522 135 HD22 ASN 17 HD22 ASN 17 -0.775 -8.393 -6.188 136 H THR 18 HN THR 18 -1.553 -3.274 -9.352 137 HA THR 18 HA THR 18 0.565 -1.425 -9.365 138 HB THR 18 HB THR 18 -1.801 -1.536 -11.252 139 HG1 THR 18 HG1 THR 18 -1.114 -3.521 -11.613 140 HG21 THR 18 HG21 THR 18 -0.219 0.343 -11.584 141 HG22 THR 18 HG22 THR 18 -0.130 -0.814 -12.911 142 HG23 THR 18 HG23 THR 18 1.116 -0.805 -11.663 143 H ASN 19 HN ASN 19 -2.883 -1.097 -8.468 144 HA ASN 19 HA ASN 19 -3.025 1.763 -8.774 145 HB2 ASN 19 HB2 ASN 19 -5.100 0.314 -8.760 146 HB3 ASN 19 HB1 ASN 19 -4.734 -0.094 -7.086 147 HD21 ASN 19 HD21 ASN 19 -6.742 0.675 -6.438 148 HD22 ASN 19 HD22 ASN 19 -7.092 2.338 -6.244 149 H CYS 20 HN CYS 20 -2.619 -0.558 -6.191 150 HA CYS 20 HA CYS 20 -2.266 1.052 -3.929 151 HB2 CYS 20 HB2 CYS 20 -2.227 -1.599 -4.296 152 HB3 CYS 20 HB1 CYS 20 -0.560 -1.294 -4.518 153 H LYS 21 HN LYS 21 -0.121 -0.273 -6.300 154 HA LYS 21 HA LYS 21 2.220 0.293 -5.328 155 HB2 LYS 21 HB2 LYS 21 1.283 -0.805 -7.593 156 HB3 LYS 21 HB1 LYS 21 1.934 0.722 -8.191 157 HG2 LYS 21 HG2 LYS 21 4.100 0.182 -7.549 158 HG3 LYS 21 HG1 LYS 21 3.535 -1.261 -6.683 159 HD2 LYS 21 HD2 LYS 21 2.749 -2.269 -8.689 160 HD3 LYS 21 HD1 LYS 21 3.052 -0.800 -9.613 161 HE2 LYS 21 HE2 LYS 21 4.712 -2.417 -10.069 162 HE3 LYS 21 HE1 LYS 21 5.376 -1.024 -9.187 163 HZ1 LYS 21 HZ1 LYS 21 4.687 -3.660 -7.963 164 HZ2 LYS 21 HZ2 LYS 21 5.418 -2.373 -7.148 165 HZ3 LYS 21 HZ3 LYS 21 6.252 -3.187 -8.362 166 H ASN 22 HN ASN 22 0.332 2.082 -7.753 167 HA ASN 22 HA ASN 22 2.045 4.272 -8.094 168 HB2 ASN 22 HB2 ASN 22 -0.903 4.038 -8.649 169 HB3 ASN 22 HB1 ASN 22 0.072 5.421 -9.116 170 HD21 ASN 22 HD21 ASN 22 -1.344 3.599 -10.860 171 HD22 ASN 22 HD22 ASN 22 -0.157 2.892 -11.895 172 H VAL 23 HN VAL 23 -0.717 3.816 -5.967 173 HA VAL 23 HA VAL 23 -0.771 6.465 -5.047 174 HB VAL 23 HB VAL 23 -1.669 3.931 -3.625 175 HG11 VAL 23 HG11 VAL 23 -2.960 5.387 -2.178 176 HG12 VAL 23 HG12 VAL 23 -2.378 6.799 -3.053 177 HG13 VAL 23 HG13 VAL 23 -1.257 5.841 -2.088 178 HG21 VAL 23 HG21 VAL 23 -3.899 4.633 -4.394 179 HG22 VAL 23 HG22 VAL 23 -2.798 4.318 -5.743 180 HG23 VAL 23 HG23 VAL 23 -3.155 5.982 -5.256 181 H CYS 24 HN CYS 24 0.742 3.577 -3.669 182 HA CYS 24 HA CYS 24 2.086 4.771 -1.564 183 HB2 CYS 24 HB2 CYS 24 2.666 2.332 -3.223 184 HB3 CYS 24 HB1 CYS 24 3.626 2.705 -1.807 185 H ARG 25 HN ARG 25 3.079 4.344 -4.913 186 HA ARG 25 HA ARG 25 5.686 5.325 -4.618 187 HB2 ARG 25 HB2 ARG 25 3.896 5.280 -7.042 188 HB3 ARG 25 HB1 ARG 25 5.607 5.691 -7.095 189 HG2 ARG 25 HG2 ARG 25 6.268 3.529 -6.441 190 HG3 ARG 25 HG1 ARG 25 4.637 3.107 -5.921 191 HD2 ARG 25 HD2 ARG 25 4.959 1.990 -7.952 192 HD3 ARG 25 HD1 ARG 25 3.950 3.405 -8.304 193 HE ARG 25 HE ARG 25 6.788 3.559 -8.627 194 HH11 ARG 25 HH11 ARG 25 3.590 3.454 -10.251 195 HH12 ARG 25 HH12 ARG 25 4.171 3.891 -11.760 196 HH21 ARG 25 HH21 ARG 25 7.594 4.173 -10.798 197 HH22 ARG 25 HH22 ARG 25 6.515 4.307 -12.104 198 H THR 26 HN THR 26 2.619 6.903 -5.101 199 HA THR 26 HA THR 26 3.835 9.504 -5.410 200 HB THR 26 HB THR 26 0.871 8.953 -5.017 201 HG1 THR 26 HG1 THR 26 1.793 7.687 -6.795 202 HG21 THR 26 HG21 THR 26 2.348 11.120 -6.531 203 HG22 THR 26 HG22 THR 26 1.617 11.321 -4.943 204 HG23 THR 26 HG23 THR 26 0.598 10.988 -6.346 205 H GLU 27 HN GLU 27 2.806 7.528 -2.729 206 HA GLU 27 HA GLU 27 2.631 9.735 -0.885 207 HB2 GLU 27 HB2 GLU 27 2.855 6.743 -0.360 208 HB3 GLU 27 HB1 GLU 27 2.616 7.951 0.900 209 HG2 GLU 27 HG2 GLU 27 0.523 8.600 -0.122 210 HG3 GLU 27 HG1 GLU 27 0.774 7.403 -1.392 211 H GLY 28 HN GLY 28 5.017 7.374 -1.822 212 HA2 GLY 28 HA2 GLY 28 7.294 8.612 -1.904 213 HA3 GLY 28 HA1 GLY 28 7.027 8.751 -0.171 214 H PHE 29 HN PHE 29 6.244 6.017 -2.261 215 HA PHE 29 HA PHE 29 8.217 4.423 -0.796 216 HB2 PHE 29 HB2 PHE 29 5.409 3.653 -1.565 217 HB3 PHE 29 HB1 PHE 29 6.592 2.550 -0.881 218 HD1 PHE 29 HD1 PHE 29 4.387 5.374 -0.245 219 HD2 PHE 29 HD2 PHE 29 7.117 2.608 1.439 220 HE1 PHE 29 HE1 PHE 29 3.590 6.003 1.965 221 HE2 PHE 29 HE2 PHE 29 6.373 3.188 3.676 222 HZ PHE 29 HZ PHE 29 4.582 4.916 3.978 223 HA PRO 30 HA PRO 30 9.557 3.102 -4.811 224 HB2 PRO 30 HB2 PRO 30 10.155 0.460 -4.145 225 HB3 PRO 30 HB1 PRO 30 11.271 1.818 -3.956 226 HG2 PRO 30 HG2 PRO 30 9.640 0.447 -1.914 227 HG3 PRO 30 HG1 PRO 30 11.203 1.266 -1.755 228 HD2 PRO 30 HD2 PRO 30 8.884 2.315 -0.873 229 HD3 PRO 30 HD1 PRO 30 10.249 3.306 -1.412 230 H THR 31 HN THR 31 7.276 1.034 -2.995 231 HA THR 31 HA THR 31 5.786 0.581 -5.378 232 HB THR 31 HB THR 31 7.498 -1.094 -5.722 233 HG1 THR 31 HG1 THR 31 5.603 -2.817 -4.735 234 HG21 THR 31 HG21 THR 31 8.398 -1.333 -3.518 235 HG22 THR 31 HG22 THR 31 7.845 -2.943 -4.018 236 HG23 THR 31 HG23 THR 31 6.880 -1.961 -2.907 237 H GLY 32 HN GLY 32 3.929 -1.012 -4.819 238 HA2 GLY 32 HA2 GLY 32 3.155 -1.008 -2.079 239 HA3 GLY 32 HA1 GLY 32 2.132 -0.073 -3.190 240 H SER 33 HN SER 33 1.330 -2.369 -1.854 241 HA SER 33 HA SER 33 0.513 -4.017 -4.040 242 HB2 SER 33 HB2 SER 33 2.509 -4.875 -2.033 243 HB3 SER 33 HB1 SER 33 1.497 -6.131 -2.766 244 HG SER 33 HG SER 33 2.664 -4.242 -4.395 245 H CYS 34 HN CYS 34 -1.158 -5.586 -3.380 246 HA CYS 34 HA CYS 34 -2.744 -4.350 -1.294 247 HB2 CYS 34 HB2 CYS 34 -3.527 -6.258 -3.481 248 HB3 CYS 34 HB1 CYS 34 -4.616 -5.395 -2.405 249 H ASP 35 HN ASP 35 -3.394 -5.396 0.434 250 HA ASP 35 HA ASP 35 -2.448 -8.143 0.890 251 HB2 ASP 35 HB2 ASP 35 -1.152 -6.424 1.940 252 HB3 ASP 35 HB1 ASP 35 -2.620 -5.717 2.597 253 H PHE 36 HN PHE 36 -3.748 -9.320 2.446 254 HA PHE 36 HA PHE 36 -6.487 -8.358 2.612 255 HB2 PHE 36 HB2 PHE 36 -6.134 -10.328 1.039 256 HB3 PHE 36 HB1 PHE 36 -5.570 -11.247 2.421 257 HD1 PHE 36 HD1 PHE 36 -7.622 -10.420 4.473 258 HD2 PHE 36 HD2 PHE 36 -8.027 -11.451 0.372 259 HE1 PHE 36 HE1 PHE 36 -9.904 -11.181 4.915 260 HE2 PHE 36 HE2 PHE 36 -10.337 -12.214 0.790 261 HZ PHE 36 HZ PHE 36 -11.278 -12.094 3.064 262 H HIS 37 HN HIS 37 -6.592 -7.747 4.667 263 HA HIS 37 HA HIS 37 -5.840 -9.706 6.710 264 HB2 HIS 37 HB2 HIS 37 -4.470 -8.173 7.989 265 HB3 HIS 37 HB1 HIS 37 -4.076 -7.895 6.288 266 HD1 HIS 37 HD1 HIS 37 -5.676 -6.185 9.155 267 HD2 HIS 37 HD2 HIS 37 -4.636 -5.527 5.218 268 HE1 HIS 37 HE1 HIS 37 -5.712 -3.652 8.835 269 HE2 HIS 37 HE2 HIS 37 -4.441 -3.501 6.731 270 H VAL 38 HN VAL 38 -8.206 -8.335 5.343 271 HA VAL 38 HA VAL 38 -9.934 -8.038 7.577 272 HB VAL 38 HB VAL 38 -10.797 -5.778 6.707 273 HG11 VAL 38 HG11 VAL 38 -9.564 -5.853 8.799 274 HG12 VAL 38 HG12 VAL 38 -9.175 -4.384 7.899 275 HG13 VAL 38 HG13 VAL 38 -8.039 -5.737 7.920 276 HG21 VAL 38 HG21 VAL 38 -9.689 -5.768 4.535 277 HG22 VAL 38 HG22 VAL 38 -8.121 -5.762 5.309 278 HG23 VAL 38 HG23 VAL 38 -9.172 -4.350 5.458 279 H ALA 39 HN ALA 39 -12.177 -7.688 6.661 280 HA ALA 39 HA ALA 39 -12.506 -9.268 4.333 281 HB1 ALA 39 HB1 ALA 39 -14.917 -8.818 4.608 282 HB2 ALA 39 HB2 ALA 39 -14.546 -7.601 5.830 283 HB3 ALA 39 HB3 ALA 39 -14.182 -9.299 6.139 284 H GLY 40 HN GLY 40 -11.235 -8.119 2.944 285 HA2 GLY 40 HA2 GLY 40 -12.201 -6.772 0.897 286 HA3 GLY 40 HA1 GLY 40 -11.950 -5.471 2.072 287 H ARG 41 HN ARG 41 -10.316 -4.668 0.605 288 HA ARG 41 HA ARG 41 -7.815 -6.191 0.788 289 HB2 ARG 41 HB2 ARG 41 -8.729 -4.266 -1.315 290 HB3 ARG 41 HB1 ARG 41 -7.252 -5.233 -1.297 291 HG2 ARG 41 HG2 ARG 41 -9.994 -6.397 -1.296 292 HG3 ARG 41 HG1 ARG 41 -9.170 -6.000 -2.750 293 HD2 ARG 41 HD2 ARG 41 -8.110 -7.891 -0.620 294 HD3 ARG 41 HD1 ARG 41 -8.886 -8.405 -2.116 295 HE ARG 41 HE ARG 41 -6.925 -6.893 -3.055 296 HH11 ARG 41 HH11 ARG 41 -6.759 -9.352 -0.519 297 HH12 ARG 41 HH12 ARG 41 -5.208 -9.916 -0.928 298 HH21 ARG 41 HH21 ARG 41 -4.808 -7.714 -3.695 299 HH22 ARG 41 HH22 ARG 41 -4.044 -8.926 -2.786 300 H LYS 42 HN LYS 42 -6.155 -5.077 1.769 301 HA LYS 42 HA LYS 42 -6.494 -2.194 2.012 302 HB2 LYS 42 HB2 LYS 42 -6.461 -3.113 4.245 303 HB3 LYS 42 HB1 LYS 42 -5.121 -4.168 3.886 304 HG2 LYS 42 HG2 LYS 42 -4.366 -2.334 5.274 305 HG3 LYS 42 HG1 LYS 42 -3.623 -2.229 3.691 306 HD2 LYS 42 HD2 LYS 42 -4.158 -0.033 4.205 307 HD3 LYS 42 HD1 LYS 42 -5.508 -0.526 3.174 308 HE2 LYS 42 HE2 LYS 42 -6.828 -0.935 5.228 309 HE3 LYS 42 HE1 LYS 42 -5.421 -0.391 6.155 310 HZ1 LYS 42 HZ1 LYS 42 -5.571 1.789 5.124 311 HZ2 LYS 42 HZ2 LYS 42 -7.028 1.433 5.887 312 HZ3 LYS 42 HZ3 LYS 42 -6.911 1.319 4.212 313 H CYS 43 HN CYS 43 -4.985 -0.941 1.149 314 HA CYS 43 HA CYS 43 -2.925 -2.097 -0.474 315 HB2 CYS 43 HB2 CYS 43 -4.252 -0.161 -1.204 316 HB3 CYS 43 HB1 CYS 43 -3.698 0.751 0.183 317 H TYR 44 HN TYR 44 -0.818 -2.215 0.079 318 HA TYR 44 HA TYR 44 0.087 -0.724 2.388 319 HB2 TYR 44 HB2 TYR 44 0.502 -3.617 1.815 320 HB3 TYR 44 HB1 TYR 44 1.658 -2.682 2.746 321 HD1 TYR 44 HD1 TYR 44 -1.601 -4.149 2.681 322 HD2 TYR 44 HD2 TYR 44 1.102 -1.895 4.966 323 HE1 TYR 44 HE1 TYR 44 -2.901 -4.660 4.687 324 HE2 TYR 44 HE2 TYR 44 -0.171 -2.367 7.004 325 HH TYR 44 HH TYR 44 -2.275 -4.782 7.211 326 H CYS 45 HN CYS 45 1.955 0.057 2.201 327 HA CYS 45 HA CYS 45 3.173 0.010 -0.403 328 HB2 CYS 45 HB2 CYS 45 3.751 1.735 1.999 329 HB3 CYS 45 HB1 CYS 45 4.297 2.025 0.388 330 H TYR 46 HN TYR 46 5.235 -0.649 -0.714 331 HA TYR 46 HA TYR 46 6.449 -2.002 1.559 332 HB2 TYR 46 HB2 TYR 46 6.379 -2.765 -1.321 333 HB3 TYR 46 HB1 TYR 46 7.612 -3.404 -0.243 334 HD1 TYR 46 HD1 TYR 46 7.173 -5.290 0.984 335 HD2 TYR 46 HD2 TYR 46 3.873 -3.161 -0.675 336 HE1 TYR 46 HE1 TYR 46 5.688 -7.082 1.654 337 HE2 TYR 46 HE2 TYR 46 2.386 -4.877 -0.003 338 HH TYR 46 HH TYR 46 2.532 -7.370 0.461 339 H LYS 47 HN LYS 47 8.410 -1.637 2.061 340 HA LYS 47 HA LYS 47 10.123 -0.170 0.275 341 HB2 LYS 47 HB2 LYS 47 10.668 1.564 1.971 342 HB3 LYS 47 HB1 LYS 47 9.025 1.673 1.363 343 HG2 LYS 47 HG2 LYS 47 8.190 0.643 3.413 344 HG3 LYS 47 HG1 LYS 47 9.832 0.449 4.013 345 HD2 LYS 47 HD2 LYS 47 10.112 2.896 3.949 346 HD3 LYS 47 HD1 LYS 47 8.430 3.056 3.442 347 HE2 LYS 47 HE2 LYS 47 8.554 3.420 5.821 348 HE3 LYS 47 HE1 LYS 47 7.754 1.877 5.524 349 HZ1 LYS 47 HZ1 LYS 47 9.368 1.686 7.315 350 HZ2 LYS 47 HZ2 LYS 47 10.601 2.235 6.305 351 HZ3 LYS 47 HZ3 LYS 47 9.888 0.750 6.007 352 HA PRO 48 HA PRO 48 13.022 -2.828 2.264 353 HB2 PRO 48 HB2 PRO 48 15.324 -1.621 1.526 354 HB3 PRO 48 HB1 PRO 48 14.324 -2.510 0.359 355 HG2 PRO 48 HG2 PRO 48 14.538 0.417 0.781 356 HG3 PRO 48 HG1 PRO 48 14.389 -0.500 -0.730 357 HD2 PRO 48 HD2 PRO 48 12.277 0.769 0.439 358 HD3 PRO 48 HD1 PRO 48 12.128 -0.679 -0.573 359 H CYS 49 HN CYS 49 13.243 -2.870 4.256 360 HA CYS 49 HA CYS 49 14.640 -0.738 5.740 361 HB2 CYS 49 HB2 CYS 49 12.701 -2.897 6.616 362 HB3 CYS 49 HB1 CYS 49 13.558 -1.836 7.748 363 HA PRO 50 HA PRO 50 17.944 -3.702 6.104 364 HB2 PRO 50 HB2 PRO 50 18.465 -3.685 8.840 365 HB3 PRO 50 HB1 PRO 50 19.102 -2.481 7.702 366 HG2 PRO 50 HG2 PRO 50 16.775 -2.275 9.526 367 HG3 PRO 50 HG1 PRO 50 17.974 -1.046 9.076 368 HD2 PRO 50 HD2 PRO 50 15.520 -1.033 8.023 369 HD3 PRO 50 HD1 PRO 50 16.943 -0.565 7.075 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 15.682 -6.779 5.148 2 H2 ARG 1 HT2 ARG 1 15.191 -5.350 4.528 3 H3 ARG 1 HT3 ARG 1 15.290 -6.672 3.489 4 HA ARG 1 HA ARG 1 13.390 -7.650 4.599 5 HB2 ARG 1 HB2 ARG 1 13.736 -5.299 6.437 6 HB3 ARG 1 HB1 ARG 1 12.223 -6.174 6.324 7 HG2 ARG 1 HG2 ARG 1 13.232 -8.159 7.182 8 HG3 ARG 1 HG1 ARG 1 14.843 -7.438 7.081 9 HD2 ARG 1 HD2 ARG 1 14.313 -5.827 8.741 10 HD3 ARG 1 HD1 ARG 1 12.623 -6.279 8.743 11 HE ARG 1 HE ARG 1 13.172 -8.339 9.785 12 HH11 ARG 1 HH11 ARG 1 15.964 -6.162 9.613 13 HH12 ARG 1 HH12 ARG 1 16.740 -6.745 10.983 14 HH21 ARG 1 HH21 ARG 1 14.250 -9.215 11.733 15 HH22 ARG 1 HH22 ARG 1 15.736 -8.548 12.230 16 H MET 2 HN MET 2 11.265 -7.227 4.092 17 HA MET 2 HA MET 2 10.794 -4.841 2.437 18 HB2 MET 2 HB2 MET 2 9.572 -7.606 2.421 19 HB3 MET 2 HB1 MET 2 8.879 -6.236 1.569 20 HG2 MET 2 HG2 MET 2 10.819 -6.038 0.199 21 HG3 MET 2 HG1 MET 2 11.642 -7.304 1.111 22 HE1 MET 2 HE1 MET 2 10.979 -8.973 -2.399 23 HE2 MET 2 HE2 MET 2 12.197 -8.569 -1.189 24 HE3 MET 2 HE3 MET 2 11.386 -7.286 -2.086 25 H CYS 3 HN CYS 3 10.211 -3.467 3.804 26 HA CYS 3 HA CYS 3 8.475 -4.078 5.983 27 HB2 CYS 3 HB2 CYS 3 9.805 -1.656 4.922 28 HB3 CYS 3 HB1 CYS 3 8.473 -1.432 6.028 29 H LYS 4 HN LYS 4 6.452 -4.435 5.695 30 HA LYS 4 HA LYS 4 5.042 -3.260 3.455 31 HB2 LYS 4 HB2 LYS 4 4.899 -5.725 4.066 32 HB3 LYS 4 HB1 LYS 4 4.059 -5.232 5.530 33 HG2 LYS 4 HG2 LYS 4 2.257 -4.291 4.213 34 HG3 LYS 4 HG1 LYS 4 3.139 -4.654 2.738 35 HD2 LYS 4 HD2 LYS 4 1.472 -6.309 2.993 36 HD3 LYS 4 HD1 LYS 4 3.031 -7.041 3.310 37 HE2 LYS 4 HE2 LYS 4 2.652 -6.898 5.731 38 HE3 LYS 4 HE1 LYS 4 1.091 -6.130 5.447 39 HZ1 LYS 4 HZ1 LYS 4 1.794 -8.896 4.565 40 HZ2 LYS 4 HZ2 LYS 4 0.302 -8.159 4.386 41 HZ3 LYS 4 HZ3 LYS 4 0.842 -8.515 5.905 42 H THR 5 HN THR 5 4.231 -1.335 3.810 43 HA THR 5 HA THR 5 3.536 -0.437 6.509 44 HB THR 5 HB THR 5 4.254 1.016 3.977 45 HG1 THR 5 HG1 THR 5 5.782 -0.366 5.097 46 HG21 THR 5 HG21 THR 5 4.039 2.041 6.823 47 HG22 THR 5 HG22 THR 5 2.939 2.391 5.469 48 HG23 THR 5 HG23 THR 5 4.606 2.951 5.408 49 HA PRO 6 HA PRO 6 -0.674 -0.336 4.697 50 HB2 PRO 6 HB2 PRO 6 -1.637 1.176 6.946 51 HB3 PRO 6 HB1 PRO 6 -1.858 -0.553 6.590 52 HG2 PRO 6 HG2 PRO 6 -0.376 0.432 8.695 53 HG3 PRO 6 HG1 PRO 6 -0.269 -1.202 8.022 54 HD2 PRO 6 HD2 PRO 6 1.559 1.104 7.631 55 HD3 PRO 6 HD1 PRO 6 1.890 -0.640 7.619 56 H SER 7 HN SER 7 -0.907 0.974 3.045 57 HA SER 7 HA SER 7 -0.014 3.535 2.712 58 HB2 SER 7 HB2 SER 7 -2.463 2.437 1.414 59 HB3 SER 7 HB1 SER 7 -1.149 3.388 0.703 60 HG SER 7 HG SER 7 0.017 1.682 0.490 61 H GLY 8 HN GLY 8 -0.903 5.509 2.949 62 HA2 GLY 8 HA2 GLY 8 -3.122 5.692 4.822 63 HA3 GLY 8 HA1 GLY 8 -1.981 6.962 4.423 64 H LYS 9 HN LYS 9 -2.454 6.477 1.413 65 HA LYS 9 HA LYS 9 -4.752 8.317 1.400 66 HB2 LYS 9 HB2 LYS 9 -3.220 7.430 -0.982 67 HB3 LYS 9 HB1 LYS 9 -4.169 8.889 -0.760 68 HG2 LYS 9 HG2 LYS 9 -2.291 9.393 1.073 69 HG3 LYS 9 HG1 LYS 9 -1.508 8.163 0.138 70 HD2 LYS 9 HD2 LYS 9 -2.777 10.467 -1.092 71 HD3 LYS 9 HD1 LYS 9 -1.059 10.508 -0.610 72 HE2 LYS 9 HE2 LYS 9 -0.753 8.441 -2.060 73 HE3 LYS 9 HE1 LYS 9 -2.410 8.679 -2.606 74 HZ1 LYS 9 HZ1 LYS 9 -0.235 10.632 -2.924 75 HZ2 LYS 9 HZ2 LYS 9 -1.803 10.731 -3.604 76 HZ3 LYS 9 HZ3 LYS 9 -0.720 9.495 -4.072 77 H PHE 10 HN PHE 10 -3.801 5.245 0.776 78 HA PHE 10 HA PHE 10 -5.644 4.574 -1.273 79 HB2 PHE 10 HB2 PHE 10 -3.537 3.253 -0.548 80 HB3 PHE 10 HB1 PHE 10 -4.691 2.487 0.558 81 HD1 PHE 10 HD1 PHE 10 -6.475 1.051 -0.253 82 HD2 PHE 10 HD2 PHE 10 -3.806 3.044 -2.810 83 HE1 PHE 10 HE1 PHE 10 -7.244 -0.379 -2.105 84 HE2 PHE 10 HE2 PHE 10 -4.534 1.617 -4.730 85 HZ PHE 10 HZ PHE 10 -6.274 -0.099 -4.353 86 H LYS 11 HN LYS 11 -7.533 4.557 -1.113 87 HA LYS 11 HA LYS 11 -8.910 3.227 1.049 88 HB2 LYS 11 HB2 LYS 11 -10.704 5.191 1.033 89 HB3 LYS 11 HB1 LYS 11 -9.304 5.231 2.078 90 HG2 LYS 11 HG2 LYS 11 -9.629 7.420 1.122 91 HG3 LYS 11 HG1 LYS 11 -8.161 6.728 0.463 92 HD2 LYS 11 HD2 LYS 11 -9.179 7.769 -1.375 93 HD3 LYS 11 HD1 LYS 11 -9.619 6.078 -1.562 94 HE2 LYS 11 HE2 LYS 11 -11.394 8.228 -0.376 95 HE3 LYS 11 HE1 LYS 11 -11.496 7.630 -2.025 96 HZ1 LYS 11 HZ1 LYS 11 -13.160 6.538 -0.749 97 HZ2 LYS 11 HZ2 LYS 11 -12.058 6.160 0.474 98 HZ3 LYS 11 HZ3 LYS 11 -11.919 5.399 -1.028 99 H GLY 12 HN GLY 12 -9.145 1.607 -0.460 100 HA2 GLY 12 HA2 GLY 12 -11.647 1.443 -1.596 101 HA3 GLY 12 HA1 GLY 12 -10.505 1.871 -2.872 102 H TYR 13 HN TYR 13 -11.185 -0.309 -3.635 103 HA TYR 13 HA TYR 13 -10.153 -2.566 -2.183 104 HB2 TYR 13 HB2 TYR 13 -11.822 -2.176 -4.573 105 HB3 TYR 13 HB1 TYR 13 -10.794 -3.600 -4.579 106 HD1 TYR 13 HD1 TYR 13 -13.715 -2.006 -3.073 107 HD2 TYR 13 HD2 TYR 13 -11.084 -5.332 -2.942 108 HE1 TYR 13 HE1 TYR 13 -15.340 -3.231 -1.683 109 HE2 TYR 13 HE2 TYR 13 -12.645 -6.565 -1.571 110 HH TYR 13 HH TYR 13 -14.598 -6.028 0.026 111 H CYS 14 HN CYS 14 -8.118 -3.179 -2.260 112 HA CYS 14 HA CYS 14 -6.484 -2.401 -4.505 113 HB2 CYS 14 HB2 CYS 14 -5.721 -2.409 -2.030 114 HB3 CYS 14 HB1 CYS 14 -5.580 -4.150 -2.218 115 H VAL 15 HN VAL 15 -8.207 -3.794 -5.595 116 HA VAL 15 HA VAL 15 -7.607 -6.541 -5.892 117 HB VAL 15 HB VAL 15 -8.858 -6.419 -8.083 118 HG11 VAL 15 HG11 VAL 15 -10.215 -5.189 -5.696 119 HG12 VAL 15 HG12 VAL 15 -10.063 -6.911 -6.053 120 HG13 VAL 15 HG13 VAL 15 -11.046 -5.876 -7.089 121 HG21 VAL 15 HG21 VAL 15 -9.203 -3.504 -7.353 122 HG22 VAL 15 HG22 VAL 15 -10.038 -4.338 -8.663 123 HG23 VAL 15 HG23 VAL 15 -8.288 -4.125 -8.727 124 H ASN 16 HN ASN 16 -6.382 -3.651 -7.324 125 HA ASN 16 HA ASN 16 -4.571 -5.185 -9.046 126 HB2 ASN 16 HB2 ASN 16 -5.974 -3.730 -10.359 127 HB3 ASN 16 HB1 ASN 16 -5.634 -2.365 -9.304 128 HD21 ASN 16 HD21 ASN 16 -4.957 -1.146 -11.080 129 HD22 ASN 16 HD22 ASN 16 -3.445 -1.421 -11.863 130 H ASN 17 HN ASN 17 -2.594 -5.305 -8.378 131 HA ASN 17 HA ASN 17 -1.600 -3.925 -6.123 132 HB2 ASN 17 HB2 ASN 17 -0.097 -5.554 -8.183 133 HB3 ASN 17 HB1 ASN 17 0.641 -4.895 -6.733 134 HD21 ASN 17 HD21 ASN 17 -1.333 -7.402 -8.055 135 HD22 ASN 17 HD22 ASN 17 -1.504 -8.287 -6.581 136 H THR 18 HN THR 18 -1.383 -3.266 -9.538 137 HA THR 18 HA THR 18 0.704 -1.378 -9.426 138 HB THR 18 HB THR 18 -1.582 -1.565 -11.409 139 HG1 THR 18 HG1 THR 18 -0.528 -3.263 -12.251 140 HG21 THR 18 HG21 THR 18 0.087 -0.675 -12.990 141 HG22 THR 18 HG22 THR 18 1.284 -0.603 -11.697 142 HG23 THR 18 HG23 THR 18 -0.137 0.440 -11.641 143 H ASN 19 HN ASN 19 -2.726 -1.213 -8.565 144 HA ASN 19 HA ASN 19 -3.023 1.635 -8.809 145 HB2 ASN 19 HB2 ASN 19 -4.976 0.032 -8.863 146 HB3 ASN 19 HB1 ASN 19 -4.633 -0.356 -7.179 147 HD21 ASN 19 HD21 ASN 19 -6.668 0.359 -6.461 148 HD22 ASN 19 HD22 ASN 19 -7.041 2.045 -6.440 149 H CYS 20 HN CYS 20 -2.540 -0.754 -6.291 150 HA CYS 20 HA CYS 20 -2.240 0.750 -3.969 151 HB2 CYS 20 HB2 CYS 20 -2.031 -1.851 -4.341 152 HB3 CYS 20 HB1 CYS 20 -0.421 -1.479 -4.762 153 H LYS 21 HN LYS 21 -0.062 -0.293 -6.407 154 HA LYS 21 HA LYS 21 2.234 0.410 -5.436 155 HB2 LYS 21 HB2 LYS 21 1.344 -0.683 -7.707 156 HB3 LYS 21 HB1 LYS 21 1.917 0.874 -8.299 157 HG2 LYS 21 HG2 LYS 21 4.119 0.417 -7.639 158 HG3 LYS 21 HG1 LYS 21 3.617 -1.066 -6.804 159 HD2 LYS 21 HD2 LYS 21 2.840 -2.030 -8.865 160 HD3 LYS 21 HD1 LYS 21 3.198 -0.542 -9.738 161 HE2 LYS 21 HE2 LYS 21 4.874 -2.152 -10.163 162 HE3 LYS 21 HE1 LYS 21 5.499 -0.802 -9.188 163 HZ1 LYS 21 HZ1 LYS 21 6.292 -3.028 -8.426 164 HZ2 LYS 21 HZ2 LYS 21 4.701 -3.456 -8.069 165 HZ3 LYS 21 HZ3 LYS 21 5.453 -2.213 -7.218 166 H ASN 22 HN ASN 22 0.106 2.188 -7.689 167 HA ASN 22 HA ASN 22 1.694 4.482 -8.036 168 HB2 ASN 22 HB2 ASN 22 -1.278 4.120 -8.427 169 HB3 ASN 22 HB1 ASN 22 -0.399 5.571 -8.886 170 HD21 ASN 22 HD21 ASN 22 -1.884 3.779 -10.564 171 HD22 ASN 22 HD22 ASN 22 -0.774 3.162 -11.740 172 H VAL 23 HN VAL 23 -0.960 3.795 -5.829 173 HA VAL 23 HA VAL 23 -1.019 6.407 -4.708 174 HB VAL 23 HB VAL 23 -1.859 3.800 -3.393 175 HG11 VAL 23 HG11 VAL 23 -2.646 6.644 -2.864 176 HG12 VAL 23 HG12 VAL 23 -1.628 5.643 -1.838 177 HG13 VAL 23 HG13 VAL 23 -3.340 5.240 -2.049 178 HG21 VAL 23 HG21 VAL 23 -3.437 5.673 -5.174 179 HG22 VAL 23 HG22 VAL 23 -4.175 4.466 -4.144 180 HG23 VAL 23 HG23 VAL 23 -3.094 3.957 -5.452 181 H CYS 24 HN CYS 24 0.659 3.461 -3.712 182 HA CYS 24 HA CYS 24 1.976 4.579 -1.509 183 HB2 CYS 24 HB2 CYS 24 2.601 2.256 -3.306 184 HB3 CYS 24 HB1 CYS 24 3.622 2.620 -1.928 185 H ARG 25 HN ARG 25 2.879 4.410 -4.892 186 HA ARG 25 HA ARG 25 5.444 5.519 -4.579 187 HB2 ARG 25 HB2 ARG 25 3.641 5.383 -6.988 188 HB3 ARG 25 HB1 ARG 25 5.310 5.943 -7.053 189 HG2 ARG 25 HG2 ARG 25 6.169 3.838 -6.492 190 HG3 ARG 25 HG1 ARG 25 4.611 3.268 -5.896 191 HD2 ARG 25 HD2 ARG 25 4.959 2.208 -7.969 192 HD3 ARG 25 HD1 ARG 25 3.761 3.484 -8.213 193 HE ARG 25 HE ARG 25 6.539 3.991 -8.763 194 HH11 ARG 25 HH11 ARG 25 3.222 3.633 -10.071 195 HH12 ARG 25 HH12 ARG 25 3.597 4.164 -11.609 196 HH21 ARG 25 HH21 ARG 25 7.064 4.756 -10.972 197 HH22 ARG 25 HH22 ARG 25 5.848 4.827 -12.162 198 H THR 26 HN THR 26 2.288 6.908 -4.803 199 HA THR 26 HA THR 26 3.384 9.541 -5.086 200 HB THR 26 HB THR 26 0.860 10.175 -4.602 201 HG1 THR 26 HG1 THR 26 0.551 7.562 -5.488 202 HG21 THR 26 HG21 THR 26 1.763 8.868 -7.144 203 HG22 THR 26 HG22 THR 26 2.015 10.566 -6.714 204 HG23 THR 26 HG23 THR 26 0.376 9.951 -6.988 205 H GLU 27 HN GLU 27 1.856 7.743 -2.429 206 HA GLU 27 HA GLU 27 2.215 9.602 -0.411 207 HB2 GLU 27 HB2 GLU 27 2.559 6.591 -0.287 208 HB3 GLU 27 HB1 GLU 27 2.546 7.623 1.144 209 HG2 GLU 27 HG2 GLU 27 0.350 8.421 0.532 210 HG3 GLU 27 HG1 GLU 27 0.386 7.359 -0.878 211 H GLY 28 HN GLY 28 4.635 7.346 -1.657 212 HA2 GLY 28 HA2 GLY 28 6.849 8.659 -1.926 213 HA3 GLY 28 HA1 GLY 28 6.696 8.862 -0.185 214 H PHE 29 HN PHE 29 6.021 6.056 -2.214 215 HA PHE 29 HA PHE 29 8.092 4.573 -0.760 216 HB2 PHE 29 HB2 PHE 29 5.310 3.683 -1.489 217 HB3 PHE 29 HB1 PHE 29 6.554 2.606 -0.879 218 HD1 PHE 29 HD1 PHE 29 7.078 2.548 1.437 219 HD2 PHE 29 HD2 PHE 29 4.303 5.375 -0.081 220 HE1 PHE 29 HE1 PHE 29 6.323 3.009 3.714 221 HE2 PHE 29 HE2 PHE 29 3.526 5.874 2.177 222 HZ PHE 29 HZ PHE 29 4.536 4.691 4.109 223 HA PRO 30 HA PRO 30 9.474 3.356 -4.790 224 HB2 PRO 30 HB2 PRO 30 10.197 0.734 -4.187 225 HB3 PRO 30 HB1 PRO 30 11.248 2.136 -3.964 226 HG2 PRO 30 HG2 PRO 30 9.682 0.638 -1.966 227 HG3 PRO 30 HG1 PRO 30 11.208 1.519 -1.782 228 HD2 PRO 30 HD2 PRO 30 8.846 2.451 -0.871 229 HD3 PRO 30 HD1 PRO 30 10.167 3.511 -1.384 230 H THR 31 HN THR 31 7.335 1.088 -3.011 231 HA THR 31 HA THR 31 5.873 0.659 -5.418 232 HB THR 31 HB THR 31 7.645 -0.933 -5.783 233 HG1 THR 31 HG1 THR 31 5.843 -2.771 -4.855 234 HG21 THR 31 HG21 THR 31 8.082 -2.791 -4.136 235 HG22 THR 31 HG22 THR 31 7.067 -1.899 -2.982 236 HG23 THR 31 HG23 THR 31 8.546 -1.180 -3.588 237 H GLY 32 HN GLY 32 4.071 -0.968 -4.939 238 HA2 GLY 32 HA2 GLY 32 3.263 -1.061 -2.207 239 HA3 GLY 32 HA1 GLY 32 2.220 -0.171 -3.333 240 H SER 33 HN SER 33 1.625 -2.570 -1.988 241 HA SER 33 HA SER 33 0.820 -4.181 -4.200 242 HB2 SER 33 HB2 SER 33 2.890 -4.990 -2.243 243 HB3 SER 33 HB1 SER 33 1.940 -6.271 -3.029 244 HG SER 33 HG SER 33 2.939 -4.301 -4.634 245 H CYS 34 HN CYS 34 -0.663 -5.970 -3.407 246 HA CYS 34 HA CYS 34 -2.350 -4.659 -1.460 247 HB2 CYS 34 HB2 CYS 34 -2.993 -6.912 -3.346 248 HB3 CYS 34 HB1 CYS 34 -4.134 -5.967 -2.393 249 H ASP 35 HN ASP 35 -3.461 -5.832 0.154 250 HA ASP 35 HA ASP 35 -2.455 -8.442 0.960 251 HB2 ASP 35 HB2 ASP 35 -0.939 -6.823 1.894 252 HB3 ASP 35 HB1 ASP 35 -2.286 -5.884 2.501 253 H PHE 36 HN PHE 36 -3.819 -9.312 2.705 254 HA PHE 36 HA PHE 36 -6.440 -8.089 2.794 255 HB2 PHE 36 HB2 PHE 36 -6.824 -9.982 1.452 256 HB3 PHE 36 HB1 PHE 36 -5.691 -10.969 2.360 257 HD1 PHE 36 HD1 PHE 36 -8.625 -8.928 3.616 258 HD2 PHE 36 HD2 PHE 36 -6.890 -12.782 3.055 259 HE1 PHE 36 HE1 PHE 36 -10.449 -9.915 4.876 260 HE2 PHE 36 HE2 PHE 36 -8.745 -13.791 4.339 261 HZ PHE 36 HZ PHE 36 -10.527 -12.358 5.251 262 H HIS 37 HN HIS 37 -6.678 -7.319 4.651 263 HA HIS 37 HA HIS 37 -6.245 -9.021 6.992 264 HB2 HIS 37 HB2 HIS 37 -4.775 -7.519 8.119 265 HB3 HIS 37 HB1 HIS 37 -4.316 -7.343 6.419 266 HD1 HIS 37 HD1 HIS 37 -5.637 -5.436 9.247 267 HD2 HIS 37 HD2 HIS 37 -5.088 -4.922 5.173 268 HE1 HIS 37 HE1 HIS 37 -5.829 -2.961 8.828 269 HE2 HIS 37 HE2 HIS 37 -4.870 -2.803 6.541 270 H VAL 38 HN VAL 38 -8.355 -7.501 5.211 271 HA VAL 38 HA VAL 38 -10.072 -6.635 7.319 272 HB VAL 38 HB VAL 38 -10.616 -4.462 5.986 273 HG11 VAL 38 HG11 VAL 38 -7.994 -4.613 7.468 274 HG12 VAL 38 HG12 VAL 38 -9.581 -4.312 8.186 275 HG13 VAL 38 HG13 VAL 38 -8.858 -3.132 7.087 276 HG21 VAL 38 HG21 VAL 38 -9.271 -4.987 3.963 277 HG22 VAL 38 HG22 VAL 38 -7.815 -4.930 4.964 278 HG23 VAL 38 HG23 VAL 38 -8.750 -3.474 4.722 279 H ALA 39 HN ALA 39 -12.259 -6.138 6.424 280 HA ALA 39 HA ALA 39 -12.924 -8.088 4.464 281 HB1 ALA 39 HB1 ALA 39 -14.658 -5.944 5.718 282 HB2 ALA 39 HB2 ALA 39 -14.458 -7.588 6.329 283 HB3 ALA 39 HB3 ALA 39 -15.239 -7.314 4.770 284 H GLY 40 HN GLY 40 -11.644 -7.378 2.824 285 HA2 GLY 40 HA2 GLY 40 -12.665 -6.233 0.672 286 HA3 GLY 40 HA1 GLY 40 -12.058 -4.843 1.581 287 H ARG 41 HN ARG 41 -10.314 -4.358 0.305 288 HA ARG 41 HA ARG 41 -8.125 -6.262 0.460 289 HB2 ARG 41 HB2 ARG 41 -9.093 -4.987 -2.107 290 HB3 ARG 41 HB1 ARG 41 -7.491 -5.729 -1.873 291 HG2 ARG 41 HG2 ARG 41 -8.365 -7.711 -1.450 292 HG3 ARG 41 HG1 ARG 41 -10.072 -7.224 -1.400 293 HD2 ARG 41 HD2 ARG 41 -9.738 -8.382 -3.461 294 HD3 ARG 41 HD1 ARG 41 -9.674 -6.678 -3.896 295 HE ARG 41 HE ARG 41 -7.184 -6.958 -3.733 296 HH11 ARG 41 HH11 ARG 41 -9.248 -9.707 -4.639 297 HH12 ARG 41 HH12 ARG 41 -8.095 -10.423 -5.656 298 HH21 ARG 41 HH21 ARG 41 -5.619 -7.922 -5.139 299 HH22 ARG 41 HH22 ARG 41 -5.947 -9.365 -5.968 300 H LYS 42 HN LYS 42 -6.383 -5.259 1.256 301 HA LYS 42 HA LYS 42 -6.519 -2.354 1.239 302 HB2 LYS 42 HB2 LYS 42 -6.726 -3.338 3.478 303 HB3 LYS 42 HB1 LYS 42 -5.257 -4.244 3.264 304 HG2 LYS 42 HG2 LYS 42 -4.958 -2.287 4.721 305 HG3 LYS 42 HG1 LYS 42 -3.937 -2.214 3.292 306 HD2 LYS 42 HD2 LYS 42 -5.368 -0.574 2.279 307 HD3 LYS 42 HD1 LYS 42 -6.568 -0.726 3.583 308 HE2 LYS 42 HE2 LYS 42 -5.030 0.122 5.136 309 HE3 LYS 42 HE1 LYS 42 -3.710 0.149 3.968 310 HZ1 LYS 42 HZ1 LYS 42 -6.127 1.971 4.000 311 HZ2 LYS 42 HZ2 LYS 42 -5.112 1.845 2.680 312 HZ3 LYS 42 HZ3 LYS 42 -4.498 2.412 4.102 313 H CYS 43 HN CYS 43 -4.778 -1.221 0.737 314 HA CYS 43 HA CYS 43 -2.687 -2.492 -0.795 315 HB2 CYS 43 HB2 CYS 43 -3.794 -0.642 -1.784 316 HB3 CYS 43 HB1 CYS 43 -3.645 0.309 -0.325 317 H TYR 44 HN TYR 44 -0.584 -2.473 -0.162 318 HA TYR 44 HA TYR 44 0.130 -0.988 2.210 319 HB2 TYR 44 HB2 TYR 44 0.622 -3.866 1.614 320 HB3 TYR 44 HB1 TYR 44 1.720 -2.934 2.621 321 HD1 TYR 44 HD1 TYR 44 -1.788 -4.006 2.315 322 HD2 TYR 44 HD2 TYR 44 1.272 -2.613 4.868 323 HE1 TYR 44 HE1 TYR 44 -3.180 -4.540 4.239 324 HE2 TYR 44 HE2 TYR 44 -0.091 -3.124 6.823 325 HH TYR 44 HH TYR 44 -2.571 -5.132 6.673 326 H CYS 45 HN CYS 45 2.038 -0.170 2.128 327 HA CYS 45 HA CYS 45 3.286 -0.083 -0.464 328 HB2 CYS 45 HB2 CYS 45 3.748 1.587 2.004 329 HB3 CYS 45 HB1 CYS 45 4.368 1.925 0.428 330 H TYR 46 HN TYR 46 5.306 -0.778 -0.805 331 HA TYR 46 HA TYR 46 6.562 -2.113 1.453 332 HB2 TYR 46 HB2 TYR 46 6.549 -2.818 -1.445 333 HB3 TYR 46 HB1 TYR 46 7.755 -3.471 -0.350 334 HD1 TYR 46 HD1 TYR 46 4.009 -3.207 -0.753 335 HD2 TYR 46 HD2 TYR 46 7.317 -5.444 0.727 336 HE1 TYR 46 HE1 TYR 46 2.514 -4.963 -0.146 337 HE2 TYR 46 HE2 TYR 46 5.836 -7.261 1.325 338 HH TYR 46 HH TYR 46 2.628 -7.453 0.198 339 H LYS 47 HN LYS 47 8.494 -1.696 2.001 340 HA LYS 47 HA LYS 47 10.175 -0.162 0.248 341 HB2 LYS 47 HB2 LYS 47 10.711 1.514 2.032 342 HB3 LYS 47 HB1 LYS 47 9.095 1.650 1.367 343 HG2 LYS 47 HG2 LYS 47 8.178 0.570 3.358 344 HG3 LYS 47 HG1 LYS 47 9.806 0.367 4.009 345 HD2 LYS 47 HD2 LYS 47 10.104 2.774 4.091 346 HD3 LYS 47 HD1 LYS 47 8.524 3.022 3.351 347 HE2 LYS 47 HE2 LYS 47 8.398 3.384 5.752 348 HE3 LYS 47 HE1 LYS 47 7.468 1.956 5.305 349 HZ1 LYS 47 HZ1 LYS 47 10.194 1.958 6.474 350 HZ2 LYS 47 HZ2 LYS 47 9.319 0.580 6.026 351 HZ3 LYS 47 HZ3 LYS 47 8.757 1.564 7.281 352 HA PRO 48 HA PRO 48 13.129 -2.896 2.040 353 HB2 PRO 48 HB2 PRO 48 15.383 -1.636 1.219 354 HB3 PRO 48 HB1 PRO 48 14.344 -2.526 0.083 355 HG2 PRO 48 HG2 PRO 48 14.499 0.402 0.566 356 HG3 PRO 48 HG1 PRO 48 14.348 -0.483 -0.967 357 HD2 PRO 48 HD2 PRO 48 12.209 0.680 0.235 358 HD3 PRO 48 HD1 PRO 48 12.098 -0.804 -0.730 359 H CYS 49 HN CYS 49 13.430 -2.964 4.034 360 HA CYS 49 HA CYS 49 14.940 -0.875 5.431 361 HB2 CYS 49 HB2 CYS 49 13.770 -1.982 7.472 362 HB3 CYS 49 HB1 CYS 49 12.819 -0.879 6.483 363 HA PRO 50 HA PRO 50 18.059 -3.962 6.006 364 HB2 PRO 50 HB2 PRO 50 18.431 -3.960 8.773 365 HB3 PRO 50 HB1 PRO 50 19.198 -2.808 7.659 366 HG2 PRO 50 HG2 PRO 50 16.787 -2.448 9.348 367 HG3 PRO 50 HG1 PRO 50 18.078 -1.294 8.956 368 HD2 PRO 50 HD2 PRO 50 15.705 -1.133 7.763 369 HD3 PRO 50 HD1 PRO 50 17.206 -0.803 6.877 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 15.753 -6.319 2.909 2 H2 ARG 1 HT2 ARG 1 16.164 -6.396 4.602 3 H3 ARG 1 HT3 ARG 1 15.456 -5.099 3.988 4 HA ARG 1 HA ARG 1 13.942 -7.585 3.871 5 HB2 ARG 1 HB2 ARG 1 14.113 -5.506 6.039 6 HB3 ARG 1 HB1 ARG 1 12.739 -6.582 5.860 7 HG2 ARG 1 HG2 ARG 1 13.883 -8.394 6.618 8 HG3 ARG 1 HG1 ARG 1 15.434 -7.801 6.017 9 HD2 ARG 1 HD2 ARG 1 15.415 -7.703 8.458 10 HD3 ARG 1 HD1 ARG 1 15.446 -6.105 7.703 11 HE ARG 1 HE ARG 1 12.873 -7.111 8.555 12 HH11 ARG 1 HH11 ARG 1 15.641 -4.933 9.020 13 HH12 ARG 1 HH12 ARG 1 14.932 -3.972 10.209 14 HH21 ARG 1 HH21 ARG 1 11.797 -5.752 10.227 15 HH22 ARG 1 HH22 ARG 1 12.649 -4.449 10.913 16 H MET 2 HN MET 2 11.691 -7.207 3.608 17 HA MET 2 HA MET 2 11.052 -4.678 2.243 18 HB2 MET 2 HB2 MET 2 9.816 -7.425 2.099 19 HB3 MET 2 HB1 MET 2 9.101 -5.986 1.390 20 HG2 MET 2 HG2 MET 2 11.047 -5.713 -0.036 21 HG3 MET 2 HG1 MET 2 11.776 -7.137 0.694 22 HE1 MET 2 HE1 MET 2 9.317 -9.969 -0.588 23 HE2 MET 2 HE2 MET 2 9.167 -9.080 0.925 24 HE3 MET 2 HE3 MET 2 10.755 -9.623 0.374 25 H CYS 3 HN CYS 3 10.196 -3.365 3.432 26 HA CYS 3 HA CYS 3 8.670 -4.178 5.759 27 HB2 CYS 3 HB2 CYS 3 9.921 -1.702 4.779 28 HB3 CYS 3 HB1 CYS 3 8.556 -1.510 5.886 29 H LYS 4 HN LYS 4 6.603 -4.518 5.559 30 HA LYS 4 HA LYS 4 5.149 -3.275 3.383 31 HB2 LYS 4 HB2 LYS 4 4.966 -5.759 3.854 32 HB3 LYS 4 HB1 LYS 4 4.212 -5.352 5.389 33 HG2 LYS 4 HG2 LYS 4 2.354 -4.312 4.247 34 HG3 LYS 4 HG1 LYS 4 3.160 -4.543 2.705 35 HD2 LYS 4 HD2 LYS 4 1.430 -6.185 2.939 36 HD3 LYS 4 HD1 LYS 4 3.004 -6.961 2.996 37 HE2 LYS 4 HE2 LYS 4 2.856 -7.160 5.423 38 HE3 LYS 4 HE1 LYS 4 1.323 -6.286 5.418 39 HZ1 LYS 4 HZ1 LYS 4 0.272 -8.099 4.252 40 HZ2 LYS 4 HZ2 LYS 4 1.034 -8.744 5.562 41 HZ3 LYS 4 HZ3 LYS 4 1.728 -8.886 4.021 42 H THR 5 HN THR 5 4.375 -1.361 3.816 43 HA THR 5 HA THR 5 3.614 -0.592 6.541 44 HB THR 5 HB THR 5 4.620 0.919 4.142 45 HG1 THR 5 HG1 THR 5 5.765 -0.377 6.052 46 HG21 THR 5 HG21 THR 5 3.050 2.318 5.335 47 HG22 THR 5 HG22 THR 5 4.691 2.905 5.568 48 HG23 THR 5 HG23 THR 5 3.876 2.016 6.874 49 HA PRO 6 HA PRO 6 -0.556 -0.412 4.810 50 HB2 PRO 6 HB2 PRO 6 -1.715 1.093 6.781 51 HB3 PRO 6 HB1 PRO 6 -1.420 -0.653 6.917 52 HG2 PRO 6 HG2 PRO 6 0.129 1.600 8.068 53 HG3 PRO 6 HG1 PRO 6 -0.230 0.003 8.756 54 HD2 PRO 6 HD2 PRO 6 2.177 0.626 7.663 55 HD3 PRO 6 HD1 PRO 6 1.502 -1.016 7.662 56 H SER 7 HN SER 7 -1.244 0.835 3.250 57 HA SER 7 HA SER 7 -0.358 3.381 2.558 58 HB2 SER 7 HB2 SER 7 -2.488 3.412 1.181 59 HB3 SER 7 HB1 SER 7 -1.419 2.055 0.861 60 HG SER 7 HG SER 7 -2.705 0.734 1.792 61 H GLY 8 HN GLY 8 -1.100 5.458 2.935 62 HA2 GLY 8 HA2 GLY 8 -3.016 5.719 5.111 63 HA3 GLY 8 HA1 GLY 8 -1.896 6.944 4.541 64 H LYS 9 HN LYS 9 -2.762 6.446 1.649 65 HA LYS 9 HA LYS 9 -5.356 7.888 1.845 66 HB2 LYS 9 HB2 LYS 9 -4.703 9.193 0.086 67 HB3 LYS 9 HB1 LYS 9 -3.677 9.461 1.505 68 HG2 LYS 9 HG2 LYS 9 -1.901 8.391 0.519 69 HG3 LYS 9 HG1 LYS 9 -2.870 7.679 -0.764 70 HD2 LYS 9 HD2 LYS 9 -3.511 10.175 -0.936 71 HD3 LYS 9 HD1 LYS 9 -1.800 10.328 -0.430 72 HE2 LYS 9 HE2 LYS 9 -2.863 8.645 -2.651 73 HE3 LYS 9 HE1 LYS 9 -1.904 10.125 -2.917 74 HZ1 LYS 9 HZ1 LYS 9 -0.535 8.042 -3.050 75 HZ2 LYS 9 HZ2 LYS 9 -1.004 7.670 -1.491 76 HZ3 LYS 9 HZ3 LYS 9 -0.071 9.034 -1.767 77 H PHE 10 HN PHE 10 -4.541 5.134 1.172 78 HA PHE 10 HA PHE 10 -5.091 4.773 -1.575 79 HB2 PHE 10 HB2 PHE 10 -3.900 3.140 -0.211 80 HB3 PHE 10 HB1 PHE 10 -5.372 2.745 0.655 81 HD1 PHE 10 HD1 PHE 10 -6.825 1.115 -0.251 82 HD2 PHE 10 HD2 PHE 10 -3.877 3.005 -2.562 83 HE1 PHE 10 HE1 PHE 10 -7.332 -0.449 -2.082 84 HE2 PHE 10 HE2 PHE 10 -4.332 1.431 -4.471 85 HZ PHE 10 HZ PHE 10 -6.080 -0.293 -4.199 86 H LYS 11 HN LYS 11 -6.781 4.233 -2.630 87 HA LYS 11 HA LYS 11 -9.343 4.500 -1.323 88 HB2 LYS 11 HB2 LYS 11 -10.012 5.750 -3.553 89 HB3 LYS 11 HB1 LYS 11 -9.275 6.624 -2.222 90 HG2 LYS 11 HG2 LYS 11 -8.345 7.366 -4.310 91 HG3 LYS 11 HG1 LYS 11 -7.108 6.494 -3.416 92 HD2 LYS 11 HD2 LYS 11 -7.469 4.532 -4.816 93 HD3 LYS 11 HD1 LYS 11 -8.757 5.369 -5.680 94 HE2 LYS 11 HE2 LYS 11 -7.172 7.037 -6.431 95 HE3 LYS 11 HE1 LYS 11 -5.876 6.221 -5.553 96 HZ1 LYS 11 HZ1 LYS 11 -7.428 5.049 -7.818 97 HZ2 LYS 11 HZ2 LYS 11 -6.173 4.273 -7.006 98 HZ3 LYS 11 HZ3 LYS 11 -5.855 5.643 -7.922 99 H GLY 12 HN GLY 12 -10.770 3.041 -1.798 100 HA2 GLY 12 HA2 GLY 12 -12.045 1.668 -3.177 101 HA3 GLY 12 HA1 GLY 12 -10.788 1.766 -4.399 102 H TYR 13 HN TYR 13 -10.998 -0.453 -4.648 103 HA TYR 13 HA TYR 13 -10.179 -2.188 -2.467 104 HB2 TYR 13 HB2 TYR 13 -11.576 -2.533 -5.038 105 HB3 TYR 13 HB1 TYR 13 -10.496 -3.833 -4.551 106 HD1 TYR 13 HD1 TYR 13 -11.034 -5.286 -2.834 107 HD2 TYR 13 HD2 TYR 13 -13.529 -1.940 -3.583 108 HE1 TYR 13 HE1 TYR 13 -12.689 -6.258 -1.391 109 HE2 TYR 13 HE2 TYR 13 -15.259 -2.897 -2.109 110 HH TYR 13 HH TYR 13 -14.696 -5.443 0.017 111 H CYS 14 HN CYS 14 -8.240 -3.208 -2.391 112 HA CYS 14 HA CYS 14 -6.399 -2.536 -4.522 113 HB2 CYS 14 HB2 CYS 14 -5.846 -2.376 -1.975 114 HB3 CYS 14 HB1 CYS 14 -5.651 -4.121 -2.073 115 H VAL 15 HN VAL 15 -8.066 -3.972 -5.613 116 HA VAL 15 HA VAL 15 -7.540 -6.750 -5.645 117 HB VAL 15 HB VAL 15 -8.653 -6.779 -7.914 118 HG11 VAL 15 HG11 VAL 15 -10.133 -5.356 -5.708 119 HG12 VAL 15 HG12 VAL 15 -9.986 -7.098 -5.921 120 HG13 VAL 15 HG13 VAL 15 -10.887 -6.139 -7.093 121 HG21 VAL 15 HG21 VAL 15 -9.757 -4.729 -8.710 122 HG22 VAL 15 HG22 VAL 15 -8.002 -4.552 -8.690 123 HG23 VAL 15 HG23 VAL 15 -8.974 -3.812 -7.421 124 H ASN 16 HN ASN 16 -6.086 -4.033 -7.246 125 HA ASN 16 HA ASN 16 -4.176 -5.835 -8.602 126 HB2 ASN 16 HB2 ASN 16 -5.737 -4.609 -10.172 127 HB3 ASN 16 HB1 ASN 16 -5.114 -3.098 -9.534 128 HD21 ASN 16 HD21 ASN 16 -5.066 -3.913 -12.252 129 HD22 ASN 16 HD22 ASN 16 -3.426 -4.055 -12.742 130 H ASN 17 HN ASN 17 -2.225 -5.600 -7.999 131 HA ASN 17 HA ASN 17 -1.273 -4.006 -5.930 132 HB2 ASN 17 HB2 ASN 17 0.221 -5.380 -8.165 133 HB3 ASN 17 HB1 ASN 17 1.010 -4.627 -6.785 134 HD21 ASN 17 HD21 ASN 17 0.852 -7.459 -7.737 135 HD22 ASN 17 HD22 ASN 17 0.260 -8.322 -6.365 136 H THR 18 HN THR 18 -1.527 -3.321 -9.315 137 HA THR 18 HA THR 18 0.365 -1.263 -9.488 138 HB THR 18 HB THR 18 -2.106 -1.769 -11.151 139 HG1 THR 18 HG1 THR 18 -0.939 -3.498 -11.477 140 HG21 THR 18 HG21 THR 18 -0.926 -0.563 -12.924 141 HG22 THR 18 HG22 THR 18 0.418 -0.223 -11.828 142 HG23 THR 18 HG23 THR 18 -1.172 0.492 -11.532 143 H ASN 19 HN ASN 19 -3.033 -1.214 -8.444 144 HA ASN 19 HA ASN 19 -3.319 1.625 -8.554 145 HB2 ASN 19 HB2 ASN 19 -5.291 0.054 -8.535 146 HB3 ASN 19 HB1 ASN 19 -4.841 -0.432 -6.907 147 HD21 ASN 19 HD21 ASN 19 -6.931 0.155 -6.216 148 HD22 ASN 19 HD22 ASN 19 -7.367 1.775 -5.899 149 H CYS 20 HN CYS 20 -2.565 -0.780 -6.114 150 HA CYS 20 HA CYS 20 -2.212 0.778 -3.815 151 HB2 CYS 20 HB2 CYS 20 -1.991 -1.855 -4.126 152 HB3 CYS 20 HB1 CYS 20 -0.401 -1.453 -4.588 153 H LYS 21 HN LYS 21 0.007 -0.372 -6.261 154 HA LYS 21 HA LYS 21 2.259 0.390 -5.282 155 HB2 LYS 21 HB2 LYS 21 1.516 -0.825 -7.569 156 HB3 LYS 21 HB1 LYS 21 1.990 0.762 -8.184 157 HG2 LYS 21 HG2 LYS 21 4.207 0.507 -7.525 158 HG3 LYS 21 HG1 LYS 21 3.792 -0.896 -6.531 159 HD2 LYS 21 HD2 LYS 21 4.881 -1.559 -8.652 160 HD3 LYS 21 HD1 LYS 21 3.251 -2.204 -8.490 161 HE2 LYS 21 HE2 LYS 21 2.434 -0.328 -9.922 162 HE3 LYS 21 HE1 LYS 21 4.110 0.170 -10.148 163 HZ1 LYS 21 HZ1 LYS 21 2.935 -2.438 -10.946 164 HZ2 LYS 21 HZ2 LYS 21 4.555 -2.007 -11.147 165 HZ3 LYS 21 HZ3 LYS 21 3.344 -1.179 -11.994 166 H ASN 22 HN ASN 22 0.180 2.102 -7.586 167 HA ASN 22 HA ASN 22 1.777 4.390 -7.940 168 HB2 ASN 22 HB2 ASN 22 -1.183 4.021 -8.380 169 HB3 ASN 22 HB1 ASN 22 -0.296 5.467 -8.842 170 HD21 ASN 22 HD21 ASN 22 -1.717 3.635 -10.558 171 HD22 ASN 22 HD22 ASN 22 -0.572 3.019 -11.687 172 H VAL 23 HN VAL 23 -0.959 3.749 -5.784 173 HA VAL 23 HA VAL 23 -1.061 6.341 -4.712 174 HB VAL 23 HB VAL 23 -1.825 3.729 -3.358 175 HG11 VAL 23 HG11 VAL 23 -1.540 5.681 -1.794 176 HG12 VAL 23 HG12 VAL 23 -3.171 5.056 -1.855 177 HG13 VAL 23 HG13 VAL 23 -2.769 6.535 -2.716 178 HG21 VAL 23 HG21 VAL 23 -3.452 5.688 -4.970 179 HG22 VAL 23 HG22 VAL 23 -4.108 4.324 -4.071 180 HG23 VAL 23 HG23 VAL 23 -3.024 4.037 -5.439 181 H CYS 24 HN CYS 24 0.630 3.455 -3.555 182 HA CYS 24 HA CYS 24 1.924 4.583 -1.374 183 HB2 CYS 24 HB2 CYS 24 2.590 2.272 -3.180 184 HB3 CYS 24 HB1 CYS 24 3.545 2.574 -1.748 185 H ARG 25 HN ARG 25 2.895 4.443 -4.746 186 HA ARG 25 HA ARG 25 5.439 5.567 -4.367 187 HB2 ARG 25 HB2 ARG 25 3.690 5.447 -6.818 188 HB3 ARG 25 HB1 ARG 25 5.362 6.008 -6.838 189 HG2 ARG 25 HG2 ARG 25 6.210 3.904 -6.267 190 HG3 ARG 25 HG1 ARG 25 4.642 3.331 -5.704 191 HD2 ARG 25 HD2 ARG 25 5.039 2.270 -7.758 192 HD3 ARG 25 HD1 ARG 25 3.841 3.538 -8.039 193 HE ARG 25 HE ARG 25 6.663 3.859 -8.589 194 HH11 ARG 25 HH11 ARG 25 3.278 4.079 -9.753 195 HH12 ARG 25 HH12 ARG 25 3.654 4.850 -11.194 196 HH21 ARG 25 HH21 ARG 25 7.183 4.931 -10.663 197 HH22 ARG 25 HH22 ARG 25 5.949 5.344 -11.755 198 H THR 26 HN THR 26 2.273 7.007 -4.722 199 HA THR 26 HA THR 26 3.292 9.690 -4.986 200 HB THR 26 HB THR 26 0.562 9.000 -3.893 201 HG1 THR 26 HG1 THR 26 1.580 8.288 -6.290 202 HG21 THR 26 HG21 THR 26 1.547 11.257 -5.644 203 HG22 THR 26 HG22 THR 26 1.190 11.368 -3.922 204 HG23 THR 26 HG23 THR 26 -0.108 11.045 -5.071 205 H GLU 27 HN GLU 27 2.481 7.540 -2.282 206 HA GLU 27 HA GLU 27 2.627 9.591 -0.287 207 HB2 GLU 27 HB2 GLU 27 2.542 6.573 -0.102 208 HB3 GLU 27 HB1 GLU 27 2.651 7.607 1.326 209 HG2 GLU 27 HG2 GLU 27 0.513 8.642 0.758 210 HG3 GLU 27 HG1 GLU 27 0.573 7.804 -0.765 211 H GLY 28 HN GLY 28 4.898 7.602 -1.876 212 HA2 GLY 28 HA2 GLY 28 7.158 8.691 -1.880 213 HA3 GLY 28 HA1 GLY 28 6.994 8.770 -0.131 214 H PHE 29 HN PHE 29 5.820 6.006 -1.754 215 HA PHE 29 HA PHE 29 8.039 4.474 -0.641 216 HB2 PHE 29 HB2 PHE 29 5.252 3.643 -1.405 217 HB3 PHE 29 HB1 PHE 29 6.489 2.549 -0.798 218 HD1 PHE 29 HD1 PHE 29 7.098 2.549 1.504 219 HD2 PHE 29 HD2 PHE 29 4.186 5.244 0.018 220 HE1 PHE 29 HE1 PHE 29 6.400 3.003 3.788 221 HE2 PHE 29 HE2 PHE 29 3.436 5.748 2.271 222 HZ PHE 29 HZ PHE 29 4.541 4.623 4.213 223 HA PRO 30 HA PRO 30 9.444 3.518 -4.714 224 HB2 PRO 30 HB2 PRO 30 10.217 0.882 -4.197 225 HB3 PRO 30 HB1 PRO 30 11.243 2.301 -3.954 226 HG2 PRO 30 HG2 PRO 30 9.737 0.727 -1.966 227 HG3 PRO 30 HG1 PRO 30 11.240 1.644 -1.781 228 HD2 PRO 30 HD2 PRO 30 8.869 2.481 -0.828 229 HD3 PRO 30 HD1 PRO 30 10.149 3.596 -1.335 230 H THR 31 HN THR 31 7.257 1.247 -3.027 231 HA THR 31 HA THR 31 5.833 0.785 -5.429 232 HB THR 31 HB THR 31 7.708 -0.712 -5.837 233 HG1 THR 31 HG1 THR 31 6.404 -2.825 -5.528 234 HG21 THR 31 HG21 THR 31 8.171 -2.632 -4.271 235 HG22 THR 31 HG22 THR 31 7.106 -1.833 -3.096 236 HG23 THR 31 HG23 THR 31 8.572 -1.039 -3.633 237 H GLY 32 HN GLY 32 4.226 -1.099 -4.899 238 HA2 GLY 32 HA2 GLY 32 3.454 -1.274 -2.141 239 HA3 GLY 32 HA1 GLY 32 2.348 -0.349 -3.162 240 H SER 33 HN SER 33 1.662 -2.695 -1.888 241 HA SER 33 HA SER 33 0.789 -4.271 -4.128 242 HB2 SER 33 HB2 SER 33 3.068 -5.239 -3.528 243 HB3 SER 33 HB1 SER 33 2.410 -5.649 -1.957 244 HG SER 33 HG SER 33 1.003 -6.540 -4.201 245 H CYS 34 HN CYS 34 -0.730 -6.052 -3.282 246 HA CYS 34 HA CYS 34 -2.423 -4.683 -1.393 247 HB2 CYS 34 HB2 CYS 34 -3.037 -6.876 -3.352 248 HB3 CYS 34 HB1 CYS 34 -4.201 -5.979 -2.377 249 H ASP 35 HN ASP 35 -3.549 -5.827 0.200 250 HA ASP 35 HA ASP 35 -2.582 -8.448 1.034 251 HB2 ASP 35 HB2 ASP 35 -1.170 -6.769 2.026 252 HB3 ASP 35 HB1 ASP 35 -2.565 -5.852 2.542 253 H PHE 36 HN PHE 36 -4.130 -9.350 2.640 254 HA PHE 36 HA PHE 36 -6.722 -8.036 2.607 255 HB2 PHE 36 HB2 PHE 36 -6.618 -10.038 1.029 256 HB3 PHE 36 HB1 PHE 36 -6.263 -11.035 2.429 257 HD1 PHE 36 HD1 PHE 36 -8.652 -10.887 0.307 258 HD2 PHE 36 HD2 PHE 36 -8.236 -9.819 4.401 259 HE1 PHE 36 HE1 PHE 36 -11.077 -11.216 0.644 260 HE2 PHE 36 HE2 PHE 36 -10.624 -10.133 4.758 261 HZ PHE 36 HZ PHE 36 -12.071 -10.850 2.870 262 H HIS 37 HN HIS 37 -6.805 -7.389 4.589 263 HA HIS 37 HA HIS 37 -6.502 -9.395 6.706 264 HB2 HIS 37 HB2 HIS 37 -4.953 -8.096 7.992 265 HB3 HIS 37 HB1 HIS 37 -4.481 -7.826 6.307 266 HD1 HIS 37 HD1 HIS 37 -5.816 -6.040 9.238 267 HD2 HIS 37 HD2 HIS 37 -4.881 -5.273 5.275 268 HE1 HIS 37 HE1 HIS 37 -5.743 -3.528 9.012 269 HE2 HIS 37 HE2 HIS 37 -4.542 -3.334 6.843 270 H VAL 38 HN VAL 38 -8.529 -7.634 5.148 271 HA VAL 38 HA VAL 38 -10.211 -6.922 7.335 272 HB VAL 38 HB VAL 38 -10.663 -4.606 6.252 273 HG11 VAL 38 HG11 VAL 38 -9.565 -4.728 8.418 274 HG12 VAL 38 HG12 VAL 38 -8.821 -3.461 7.426 275 HG13 VAL 38 HG13 VAL 38 -8.013 -5.008 7.628 276 HG21 VAL 38 HG21 VAL 38 -7.924 -5.103 5.091 277 HG22 VAL 38 HG22 VAL 38 -8.792 -3.580 5.015 278 HG23 VAL 38 HG23 VAL 38 -9.413 -4.999 4.156 279 H ALA 39 HN ALA 39 -12.373 -6.371 6.516 280 HA ALA 39 HA ALA 39 -13.081 -8.021 4.341 281 HB1 ALA 39 HB1 ALA 39 -14.610 -7.664 6.238 282 HB2 ALA 39 HB2 ALA 39 -15.373 -7.212 4.712 283 HB3 ALA 39 HB3 ALA 39 -14.759 -5.963 5.793 284 H GLY 40 HN GLY 40 -11.823 -7.227 2.775 285 HA2 GLY 40 HA2 GLY 40 -12.781 -5.849 0.729 286 HA3 GLY 40 HA1 GLY 40 -12.078 -4.578 1.746 287 H ARG 41 HN ARG 41 -10.314 -4.151 0.411 288 HA ARG 41 HA ARG 41 -8.232 -6.153 0.630 289 HB2 ARG 41 HB2 ARG 41 -9.062 -4.894 -1.998 290 HB3 ARG 41 HB1 ARG 41 -7.501 -5.700 -1.699 291 HG2 ARG 41 HG2 ARG 41 -8.489 -7.659 -1.277 292 HG3 ARG 41 HG1 ARG 41 -10.171 -7.076 -1.300 293 HD2 ARG 41 HD2 ARG 41 -9.820 -8.284 -3.310 294 HD3 ARG 41 HD1 ARG 41 -9.601 -6.604 -3.785 295 HE ARG 41 HE ARG 41 -7.175 -7.018 -3.542 296 HH11 ARG 41 HH11 ARG 41 -9.298 -9.791 -4.191 297 HH12 ARG 41 HH12 ARG 41 -8.136 -10.659 -5.069 298 HH21 ARG 41 HH21 ARG 41 -5.587 -8.199 -4.764 299 HH22 ARG 41 HH22 ARG 41 -5.942 -9.719 -5.419 300 H LYS 42 HN LYS 42 -6.437 -5.243 1.432 301 HA LYS 42 HA LYS 42 -6.506 -2.348 1.550 302 HB2 LYS 42 HB2 LYS 42 -6.782 -3.436 3.708 303 HB3 LYS 42 HB1 LYS 42 -5.356 -4.402 3.474 304 HG2 LYS 42 HG2 LYS 42 -5.015 -2.538 5.037 305 HG3 LYS 42 HG1 LYS 42 -3.943 -2.459 3.647 306 HD2 LYS 42 HD2 LYS 42 -5.279 -0.707 2.659 307 HD3 LYS 42 HD1 LYS 42 -6.493 -0.867 3.941 308 HE2 LYS 42 HE2 LYS 42 -5.035 -0.096 5.562 309 HE3 LYS 42 HE1 LYS 42 -3.624 -0.236 4.521 310 HZ1 LYS 42 HZ1 LYS 42 -5.842 1.781 4.128 311 HZ2 LYS 42 HZ2 LYS 42 -4.453 1.606 3.160 312 HZ3 LYS 42 HZ3 LYS 42 -4.290 2.133 4.697 313 H CYS 43 HN CYS 43 -4.923 -1.252 0.761 314 HA CYS 43 HA CYS 43 -2.754 -2.502 -0.644 315 HB2 CYS 43 HB2 CYS 43 -3.779 -0.691 -1.718 316 HB3 CYS 43 HB1 CYS 43 -3.771 0.285 -0.264 317 H TYR 44 HN TYR 44 -0.653 -2.531 -0.034 318 HA TYR 44 HA TYR 44 0.148 -1.018 2.297 319 HB2 TYR 44 HB2 TYR 44 0.614 -3.903 1.705 320 HB3 TYR 44 HB1 TYR 44 1.725 -2.966 2.691 321 HD1 TYR 44 HD1 TYR 44 -1.790 -4.022 2.442 322 HD2 TYR 44 HD2 TYR 44 1.324 -2.658 4.949 323 HE1 TYR 44 HE1 TYR 44 -3.160 -4.538 4.373 324 HE2 TYR 44 HE2 TYR 44 -0.013 -3.161 6.927 325 HH TYR 44 HH TYR 44 -2.512 -5.130 6.854 326 H CYS 45 HN CYS 45 2.064 -0.213 2.168 327 HA CYS 45 HA CYS 45 3.223 -0.081 -0.461 328 HB2 CYS 45 HB2 CYS 45 3.711 1.580 2.012 329 HB3 CYS 45 HB1 CYS 45 4.212 1.961 0.400 330 H TYR 46 HN TYR 46 5.316 -0.650 -0.832 331 HA TYR 46 HA TYR 46 6.625 -2.033 1.374 332 HB2 TYR 46 HB2 TYR 46 6.548 -2.660 -1.534 333 HB3 TYR 46 HB1 TYR 46 7.839 -3.282 -0.509 334 HD1 TYR 46 HD1 TYR 46 4.099 -3.112 -0.677 335 HD2 TYR 46 HD2 TYR 46 7.535 -5.318 0.460 336 HE1 TYR 46 HE1 TYR 46 2.677 -4.952 -0.079 337 HE2 TYR 46 HE2 TYR 46 6.162 -7.210 1.063 338 HH TYR 46 HH TYR 46 2.915 -7.466 0.116 339 H LYS 47 HN LYS 47 8.603 -1.637 1.862 340 HA LYS 47 HA LYS 47 10.201 0.021 0.139 341 HB2 LYS 47 HB2 LYS 47 10.738 1.636 1.961 342 HB3 LYS 47 HB1 LYS 47 9.088 1.743 1.378 343 HG2 LYS 47 HG2 LYS 47 8.296 0.560 3.352 344 HG3 LYS 47 HG1 LYS 47 9.943 0.341 3.924 345 HD2 LYS 47 HD2 LYS 47 10.192 2.798 4.031 346 HD3 LYS 47 HD1 LYS 47 8.500 2.963 3.566 347 HE2 LYS 47 HE2 LYS 47 8.684 3.155 5.968 348 HE3 LYS 47 HE1 LYS 47 7.871 1.642 5.568 349 HZ1 LYS 47 HZ1 LYS 47 9.516 1.316 7.304 350 HZ2 LYS 47 HZ2 LYS 47 10.737 1.926 6.312 351 HZ3 LYS 47 HZ3 LYS 47 9.996 0.474 5.918 352 HA PRO 48 HA PRO 48 13.261 -2.668 1.784 353 HB2 PRO 48 HB2 PRO 48 15.489 -1.307 1.079 354 HB3 PRO 48 HB1 PRO 48 14.480 -2.135 -0.127 355 HG2 PRO 48 HG2 PRO 48 14.595 0.750 0.545 356 HG3 PRO 48 HG1 PRO 48 14.431 -0.039 -1.037 357 HD2 PRO 48 HD2 PRO 48 12.315 1.034 0.301 358 HD3 PRO 48 HD1 PRO 48 12.186 -0.331 -0.823 359 H CYS 49 HN CYS 49 13.496 -2.855 3.770 360 HA CYS 49 HA CYS 49 14.847 -0.797 5.406 361 HB2 CYS 49 HB2 CYS 49 13.064 -3.138 6.123 362 HB3 CYS 49 HB1 CYS 49 13.921 -2.152 7.323 363 HA PRO 50 HA PRO 50 18.314 -3.566 5.426 364 HB2 PRO 50 HB2 PRO 50 18.456 -3.291 8.385 365 HB3 PRO 50 HB1 PRO 50 19.688 -2.878 7.174 366 HG2 PRO 50 HG2 PRO 50 18.393 -0.969 8.454 367 HG3 PRO 50 HG1 PRO 50 18.792 -0.815 6.730 368 HD2 PRO 50 HD2 PRO 50 16.169 -1.484 7.988 369 HD3 PRO 50 HD1 PRO 50 16.529 -0.441 6.596 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 15.185 -5.660 3.779 2 H2 ARG 1 HT2 ARG 1 15.316 -6.984 2.753 3 H3 ARG 1 HT3 ARG 1 15.742 -7.053 4.414 4 HA ARG 1 HA ARG 1 13.424 -7.962 3.869 5 HB2 ARG 1 HB2 ARG 1 13.939 -5.803 5.896 6 HB3 ARG 1 HB1 ARG 1 12.409 -6.652 5.812 7 HG2 ARG 1 HG2 ARG 1 13.453 -8.722 6.381 8 HG3 ARG 1 HG1 ARG 1 15.062 -8.005 6.230 9 HD2 ARG 1 HD2 ARG 1 14.669 -6.563 8.086 10 HD3 ARG 1 HD1 ARG 1 12.986 -7.040 8.183 11 HE ARG 1 HE ARG 1 13.626 -9.180 8.960 12 HH11 ARG 1 HH11 ARG 1 16.399 -6.977 8.744 13 HH12 ARG 1 HH12 ARG 1 17.317 -7.719 9.938 14 HH21 ARG 1 HH21 ARG 1 14.909 -10.278 10.652 15 HH22 ARG 1 HH22 ARG 1 16.445 -9.664 11.058 16 H MET 2 HN MET 2 11.253 -7.441 3.634 17 HA MET 2 HA MET 2 10.730 -4.939 2.173 18 HB2 MET 2 HB2 MET 2 9.436 -7.657 2.009 19 HB3 MET 2 HB1 MET 2 8.790 -6.206 1.259 20 HG2 MET 2 HG2 MET 2 10.763 -6.000 -0.099 21 HG3 MET 2 HG1 MET 2 11.463 -7.417 0.680 22 HE1 MET 2 HE1 MET 2 8.760 -9.290 0.851 23 HE2 MET 2 HE2 MET 2 10.357 -9.891 0.412 24 HE3 MET 2 HE3 MET 2 8.971 -10.233 -0.624 25 H CYS 3 HN CYS 3 10.181 -3.677 3.620 26 HA CYS 3 HA CYS 3 8.519 -4.461 5.810 27 HB2 CYS 3 HB2 CYS 3 9.826 -1.955 4.912 28 HB3 CYS 3 HB1 CYS 3 8.555 -1.848 6.107 29 H LYS 4 HN LYS 4 6.495 -4.774 5.557 30 HA LYS 4 HA LYS 4 5.030 -3.507 3.400 31 HB2 LYS 4 HB2 LYS 4 4.987 -6.001 3.910 32 HB3 LYS 4 HB1 LYS 4 4.108 -5.597 5.375 33 HG2 LYS 4 HG2 LYS 4 2.288 -4.657 4.028 34 HG3 LYS 4 HG1 LYS 4 3.218 -4.988 2.579 35 HD2 LYS 4 HD2 LYS 4 1.613 -6.699 2.785 36 HD3 LYS 4 HD1 LYS 4 3.193 -7.373 3.129 37 HE2 LYS 4 HE2 LYS 4 2.750 -7.245 5.555 38 HE3 LYS 4 HE1 LYS 4 1.153 -6.573 5.224 39 HZ1 LYS 4 HZ1 LYS 4 1.001 -8.950 5.679 40 HZ2 LYS 4 HZ2 LYS 4 2.053 -9.295 4.384 41 HZ3 LYS 4 HZ3 LYS 4 0.565 -8.649 4.095 42 H THR 5 HN THR 5 4.182 -1.606 3.880 43 HA THR 5 HA THR 5 3.207 -1.056 6.586 44 HB THR 5 HB THR 5 4.523 0.601 4.479 45 HG1 THR 5 HG1 THR 5 5.291 -0.736 6.596 46 HG21 THR 5 HG21 THR 5 3.300 1.590 7.079 47 HG22 THR 5 HG22 THR 5 2.822 2.002 5.411 48 HG23 THR 5 HG23 THR 5 4.375 2.529 6.026 49 HA PRO 6 HA PRO 6 -0.751 -0.810 4.371 50 HB2 PRO 6 HB2 PRO 6 -2.171 0.305 6.425 51 HB3 PRO 6 HB1 PRO 6 -1.823 -1.431 6.270 52 HG2 PRO 6 HG2 PRO 6 -0.532 0.586 8.015 53 HG3 PRO 6 HG1 PRO 6 -0.860 -1.129 8.322 54 HD2 PRO 6 HD2 PRO 6 1.614 -0.167 7.638 55 HD3 PRO 6 HD1 PRO 6 1.070 -1.822 7.296 56 H SER 7 HN SER 7 -1.167 0.632 2.920 57 HA SER 7 HA SER 7 -0.229 3.228 2.819 58 HB2 SER 7 HB2 SER 7 -2.658 2.254 1.392 59 HB3 SER 7 HB1 SER 7 -1.341 3.275 0.794 60 HG SER 7 HG SER 7 -0.128 1.606 0.488 61 H GLY 8 HN GLY 8 -1.156 5.176 3.165 62 HA2 GLY 8 HA2 GLY 8 -3.331 5.195 5.085 63 HA3 GLY 8 HA1 GLY 8 -2.234 6.516 4.723 64 H LYS 9 HN LYS 9 -2.798 6.188 1.674 65 HA LYS 9 HA LYS 9 -5.266 7.638 2.050 66 HB2 LYS 9 HB2 LYS 9 -4.821 8.914 0.136 67 HB3 LYS 9 HB1 LYS 9 -3.650 9.095 1.428 68 HG2 LYS 9 HG2 LYS 9 -2.233 7.530 0.179 69 HG3 LYS 9 HG1 LYS 9 -3.309 7.734 -1.203 70 HD2 LYS 9 HD2 LYS 9 -3.207 10.113 -0.749 71 HD3 LYS 9 HD1 LYS 9 -1.890 9.722 0.368 72 HE2 LYS 9 HE2 LYS 9 -0.903 8.403 -1.439 73 HE3 LYS 9 HE1 LYS 9 -2.030 9.166 -2.531 74 HZ1 LYS 9 HZ1 LYS 9 -0.146 10.722 -0.827 75 HZ2 LYS 9 HZ2 LYS 9 -1.082 11.371 -2.083 76 HZ3 LYS 9 HZ3 LYS 9 0.237 10.364 -2.403 77 H PHE 10 HN PHE 10 -4.319 4.846 1.078 78 HA PHE 10 HA PHE 10 -5.833 4.545 -1.335 79 HB2 PHE 10 HB2 PHE 10 -3.790 3.198 -0.553 80 HB3 PHE 10 HB1 PHE 10 -4.978 2.358 0.452 81 HD1 PHE 10 HD1 PHE 10 -6.645 0.884 -0.510 82 HD2 PHE 10 HD2 PHE 10 -3.880 3.050 -2.804 83 HE1 PHE 10 HE1 PHE 10 -7.215 -0.538 -2.435 84 HE2 PHE 10 HE2 PHE 10 -4.407 1.623 -4.811 85 HZ PHE 10 HZ PHE 10 -6.092 -0.169 -4.597 86 H LYS 11 HN LYS 11 -7.873 4.111 -1.474 87 HA LYS 11 HA LYS 11 -9.291 2.666 0.641 88 HB2 LYS 11 HB2 LYS 11 -10.454 4.909 -1.040 89 HB3 LYS 11 HB1 LYS 11 -11.348 3.924 0.101 90 HG2 LYS 11 HG2 LYS 11 -11.040 5.865 1.206 91 HG3 LYS 11 HG1 LYS 11 -9.684 4.897 1.818 92 HD2 LYS 11 HD2 LYS 11 -8.239 6.011 0.166 93 HD3 LYS 11 HD1 LYS 11 -9.610 7.002 -0.336 94 HE2 LYS 11 HE2 LYS 11 -9.783 7.897 1.918 95 HE3 LYS 11 HE1 LYS 11 -8.403 6.913 2.416 96 HZ1 LYS 11 HZ1 LYS 11 -7.114 8.043 0.680 97 HZ2 LYS 11 HZ2 LYS 11 -7.600 9.078 1.935 98 HZ3 LYS 11 HZ3 LYS 11 -8.396 9.120 0.429 99 H GLY 12 HN GLY 12 -11.151 1.462 -0.282 100 HA2 GLY 12 HA2 GLY 12 -12.392 0.712 -2.140 101 HA3 GLY 12 HA1 GLY 12 -11.066 1.196 -3.185 102 H TYR 13 HN TYR 13 -11.055 -0.796 -4.163 103 HA TYR 13 HA TYR 13 -10.244 -3.051 -2.504 104 HB2 TYR 13 HB2 TYR 13 -11.932 -2.809 -4.887 105 HB3 TYR 13 HB1 TYR 13 -10.803 -4.157 -4.907 106 HD1 TYR 13 HD1 TYR 13 -11.074 -6.003 -3.527 107 HD2 TYR 13 HD2 TYR 13 -13.652 -2.666 -3.082 108 HE1 TYR 13 HE1 TYR 13 -12.493 -7.342 -2.117 109 HE2 TYR 13 HE2 TYR 13 -15.137 -4.002 -1.643 110 HH TYR 13 HH TYR 13 -15.652 -6.355 -1.186 111 H CYS 14 HN CYS 14 -8.139 -3.275 -2.441 112 HA CYS 14 HA CYS 14 -6.503 -2.585 -4.695 113 HB2 CYS 14 HB2 CYS 14 -5.861 -2.366 -2.196 114 HB3 CYS 14 HB1 CYS 14 -5.587 -4.099 -2.260 115 H VAL 15 HN VAL 15 -7.907 -4.138 -5.855 116 HA VAL 15 HA VAL 15 -7.227 -6.902 -5.880 117 HB VAL 15 HB VAL 15 -8.263 -5.168 -8.148 118 HG11 VAL 15 HG11 VAL 15 -9.018 -7.279 -9.172 119 HG12 VAL 15 HG12 VAL 15 -8.162 -8.175 -7.910 120 HG13 VAL 15 HG13 VAL 15 -7.265 -7.151 -9.041 121 HG21 VAL 15 HG21 VAL 15 -10.464 -6.101 -7.590 122 HG22 VAL 15 HG22 VAL 15 -9.767 -5.194 -6.250 123 HG23 VAL 15 HG23 VAL 15 -9.748 -6.957 -6.221 124 H ASN 16 HN ASN 16 -6.178 -4.146 -7.760 125 HA ASN 16 HA ASN 16 -4.004 -5.700 -8.910 126 HB2 ASN 16 HB2 ASN 16 -5.216 -4.762 -10.649 127 HB3 ASN 16 HB1 ASN 16 -5.515 -3.270 -9.781 128 HD21 ASN 16 HD21 ASN 16 -3.136 -5.030 -11.715 129 HD22 ASN 16 HD22 ASN 16 -2.138 -3.658 -11.990 130 H ASN 17 HN ASN 17 -2.079 -5.505 -8.311 131 HA ASN 17 HA ASN 17 -1.183 -3.971 -6.155 132 HB2 ASN 17 HB2 ASN 17 0.362 -5.475 -8.265 133 HB3 ASN 17 HB1 ASN 17 1.111 -4.734 -6.858 134 HD21 ASN 17 HD21 ASN 17 0.870 -7.574 -7.735 135 HD22 ASN 17 HD22 ASN 17 0.146 -8.363 -6.380 136 H THR 18 HN THR 18 -1.132 -3.270 -9.578 137 HA THR 18 HA THR 18 0.881 -1.315 -9.640 138 HB THR 18 HB THR 18 -1.609 -1.498 -11.354 139 HG1 THR 18 HG1 THR 18 0.464 -2.790 -12.416 140 HG21 THR 18 HG21 THR 18 -0.152 0.442 -11.781 141 HG22 THR 18 HG22 THR 18 -0.132 -0.717 -13.116 142 HG23 THR 18 HG23 THR 18 1.225 -0.653 -11.987 143 H ASN 19 HN ASN 19 -2.643 -1.156 -8.822 144 HA ASN 19 HA ASN 19 -2.907 1.666 -8.847 145 HB2 ASN 19 HB2 ASN 19 -4.832 -0.005 -8.945 146 HB3 ASN 19 HB1 ASN 19 -4.480 -0.358 -7.253 147 HD21 ASN 19 HD21 ASN 19 -6.558 0.283 -6.611 148 HD22 ASN 19 HD22 ASN 19 -6.970 1.958 -6.553 149 H CYS 20 HN CYS 20 -2.376 -0.803 -6.435 150 HA CYS 20 HA CYS 20 -2.186 0.645 -4.054 151 HB2 CYS 20 HB2 CYS 20 -1.940 -1.934 -4.544 152 HB3 CYS 20 HB1 CYS 20 -0.300 -1.534 -4.811 153 H LYS 21 HN LYS 21 0.094 -0.295 -6.455 154 HA LYS 21 HA LYS 21 2.340 0.425 -5.389 155 HB2 LYS 21 HB2 LYS 21 1.556 -0.636 -7.731 156 HB3 LYS 21 HB1 LYS 21 2.078 0.962 -8.244 157 HG2 LYS 21 HG2 LYS 21 4.274 0.583 -7.603 158 HG3 LYS 21 HG1 LYS 21 3.832 -0.921 -6.768 159 HD2 LYS 21 HD2 LYS 21 3.172 -1.965 -8.794 160 HD3 LYS 21 HD1 LYS 21 3.316 -0.455 -9.689 161 HE2 LYS 21 HE2 LYS 21 5.134 -1.858 -10.182 162 HE3 LYS 21 HE1 LYS 21 5.636 -0.427 -9.253 163 HZ1 LYS 21 HZ1 LYS 21 5.804 -1.854 -7.244 164 HZ2 LYS 21 HZ2 LYS 21 6.771 -2.478 -8.465 165 HZ3 LYS 21 HZ3 LYS 21 5.281 -3.183 -8.143 166 H ASN 22 HN ASN 22 0.266 2.158 -7.703 167 HA ASN 22 HA ASN 22 1.703 4.539 -7.975 168 HB2 ASN 22 HB2 ASN 22 -1.252 4.034 -8.346 169 HB3 ASN 22 HB1 ASN 22 -0.454 5.538 -8.778 170 HD21 ASN 22 HD21 ASN 22 -1.864 3.662 -10.465 171 HD22 ASN 22 HD22 ASN 22 -0.740 3.148 -11.669 172 H VAL 23 HN VAL 23 -1.008 3.748 -5.841 173 HA VAL 23 HA VAL 23 -1.181 6.288 -4.688 174 HB VAL 23 HB VAL 23 -1.940 3.621 -3.462 175 HG11 VAL 23 HG11 VAL 23 -3.440 4.946 -2.012 176 HG12 VAL 23 HG12 VAL 23 -2.773 6.419 -2.713 177 HG13 VAL 23 HG13 VAL 23 -1.742 5.357 -1.757 178 HG21 VAL 23 HG21 VAL 23 -3.489 5.604 -5.121 179 HG22 VAL 23 HG22 VAL 23 -4.251 4.387 -4.128 180 HG23 VAL 23 HG23 VAL 23 -3.199 3.882 -5.469 181 H CYS 24 HN CYS 24 0.575 3.410 -3.604 182 HA CYS 24 HA CYS 24 1.786 4.534 -1.356 183 HB2 CYS 24 HB2 CYS 24 2.557 2.269 -3.163 184 HB3 CYS 24 HB1 CYS 24 3.515 2.639 -1.746 185 H ARG 25 HN ARG 25 2.837 4.477 -4.703 186 HA ARG 25 HA ARG 25 5.342 5.660 -4.236 187 HB2 ARG 25 HB2 ARG 25 3.637 5.553 -6.721 188 HB3 ARG 25 HB1 ARG 25 5.287 6.171 -6.704 189 HG2 ARG 25 HG2 ARG 25 6.205 4.082 -6.213 190 HG3 ARG 25 HG1 ARG 25 4.665 3.440 -5.645 191 HD2 ARG 25 HD2 ARG 25 5.077 2.444 -7.744 192 HD3 ARG 25 HD1 ARG 25 3.823 3.667 -7.961 193 HE ARG 25 HE ARG 25 6.586 4.281 -8.505 194 HH11 ARG 25 HH11 ARG 25 3.257 3.924 -9.767 195 HH12 ARG 25 HH12 ARG 25 3.584 4.552 -11.280 196 HH21 ARG 25 HH21 ARG 25 7.055 5.169 -10.684 197 HH22 ARG 25 HH22 ARG 25 5.813 5.276 -11.841 198 H THR 26 HN THR 26 2.143 6.913 -4.629 199 HA THR 26 HA THR 26 3.014 9.656 -4.793 200 HB THR 26 HB THR 26 0.174 8.642 -4.361 201 HG1 THR 26 HG1 THR 26 1.137 7.725 -6.281 202 HG21 THR 26 HG21 THR 26 1.229 11.180 -5.639 203 HG22 THR 26 HG22 THR 26 0.520 11.076 -4.029 204 HG23 THR 26 HG23 THR 26 -0.470 10.742 -5.450 205 H GLU 27 HN GLU 27 2.165 7.387 -2.239 206 HA GLU 27 HA GLU 27 1.909 9.414 -0.235 207 HB2 GLU 27 HB2 GLU 27 2.300 6.409 0.013 208 HB3 GLU 27 HB1 GLU 27 2.190 7.470 1.416 209 HG2 GLU 27 HG2 GLU 27 -0.024 8.207 0.619 210 HG3 GLU 27 HG1 GLU 27 0.132 7.047 -0.700 211 H GLY 28 HN GLY 28 4.491 7.364 -1.359 212 HA2 GLY 28 HA2 GLY 28 6.647 8.785 -1.371 213 HA3 GLY 28 HA1 GLY 28 6.373 8.838 0.367 214 H PHE 29 HN PHE 29 5.823 6.133 -1.814 215 HA PHE 29 HA PHE 29 7.911 4.642 -0.400 216 HB2 PHE 29 HB2 PHE 29 5.173 3.719 -1.242 217 HB3 PHE 29 HB1 PHE 29 6.428 2.653 -0.637 218 HD1 PHE 29 HD1 PHE 29 6.884 2.505 1.682 219 HD2 PHE 29 HD2 PHE 29 4.089 5.336 0.204 220 HE1 PHE 29 HE1 PHE 29 6.050 2.841 3.946 221 HE2 PHE 29 HE2 PHE 29 3.229 5.720 2.450 222 HZ PHE 29 HZ PHE 29 4.211 4.468 4.371 223 HA PRO 30 HA PRO 30 9.386 3.646 -4.456 224 HB2 PRO 30 HB2 PRO 30 10.210 1.041 -3.970 225 HB3 PRO 30 HB1 PRO 30 11.188 2.472 -3.619 226 HG2 PRO 30 HG2 PRO 30 9.598 0.799 -1.778 227 HG3 PRO 30 HG1 PRO 30 11.100 1.692 -1.488 228 HD2 PRO 30 HD2 PRO 30 8.704 2.532 -0.592 229 HD3 PRO 30 HD1 PRO 30 10.013 3.644 -1.022 230 H THR 31 HN THR 31 7.247 1.271 -2.817 231 HA THR 31 HA THR 31 5.876 0.870 -5.274 232 HB THR 31 HB THR 31 7.717 -0.637 -5.664 233 HG1 THR 31 HG1 THR 31 5.960 -2.575 -4.847 234 HG21 THR 31 HG21 THR 31 8.588 -0.936 -3.457 235 HG22 THR 31 HG22 THR 31 8.189 -2.550 -4.068 236 HG23 THR 31 HG23 THR 31 7.120 -1.734 -2.922 237 H GLY 32 HN GLY 32 4.129 -0.869 -4.888 238 HA2 GLY 32 HA2 GLY 32 3.279 -1.072 -2.172 239 HA3 GLY 32 HA1 GLY 32 2.225 -0.176 -3.280 240 H SER 33 HN SER 33 1.648 -2.596 -2.028 241 HA SER 33 HA SER 33 0.865 -4.173 -4.269 242 HB2 SER 33 HB2 SER 33 2.984 -5.010 -2.384 243 HB3 SER 33 HB1 SER 33 2.014 -6.280 -3.149 244 HG SER 33 HG SER 33 3.019 -4.244 -4.718 245 H CYS 34 HN CYS 34 -0.740 -5.773 -3.669 246 HA CYS 34 HA CYS 34 -2.337 -4.679 -1.549 247 HB2 CYS 34 HB2 CYS 34 -2.991 -6.809 -3.554 248 HB3 CYS 34 HB1 CYS 34 -4.127 -5.902 -2.562 249 H ASP 35 HN ASP 35 -3.155 -5.748 0.181 250 HA ASP 35 HA ASP 35 -2.577 -8.524 0.736 251 HB2 ASP 35 HB2 ASP 35 -0.565 -7.122 1.456 252 HB3 ASP 35 HB1 ASP 35 -1.646 -6.268 2.492 253 H PHE 36 HN PHE 36 -3.507 -8.500 3.498 254 HA PHE 36 HA PHE 36 -6.173 -7.318 3.172 255 HB2 PHE 36 HB2 PHE 36 -6.038 -9.711 2.418 256 HB3 PHE 36 HB1 PHE 36 -5.551 -10.140 4.039 257 HD1 PHE 36 HD1 PHE 36 -7.447 -8.861 5.812 258 HD2 PHE 36 HD2 PHE 36 -8.071 -10.455 1.930 259 HE1 PHE 36 HE1 PHE 36 -9.795 -9.346 6.399 260 HE2 PHE 36 HE2 PHE 36 -10.435 -10.909 2.487 261 HZ PHE 36 HZ PHE 36 -11.291 -10.362 4.729 262 H HIS 37 HN HIS 37 -6.608 -6.152 4.999 263 HA HIS 37 HA HIS 37 -6.348 -7.518 7.528 264 HB2 HIS 37 HB2 HIS 37 -5.232 -5.784 8.774 265 HB3 HIS 37 HB1 HIS 37 -4.349 -5.943 7.269 266 HD1 HIS 37 HD1 HIS 37 -3.635 -3.982 6.328 267 HD2 HIS 37 HD2 HIS 37 -6.989 -3.389 8.542 268 HE1 HIS 37 HE1 HIS 37 -4.111 -1.476 6.189 269 HE2 HIS 37 HE2 HIS 37 -5.776 -1.202 8.062 270 H VAL 38 HN VAL 38 -8.263 -6.532 5.440 271 HA VAL 38 HA VAL 38 -10.201 -5.410 7.190 272 HB VAL 38 HB VAL 38 -10.782 -3.682 5.289 273 HG11 VAL 38 HG11 VAL 38 -8.355 -3.194 7.017 274 HG12 VAL 38 HG12 VAL 38 -10.028 -3.004 7.544 275 HG13 VAL 38 HG13 VAL 38 -9.369 -1.952 6.289 276 HG21 VAL 38 HG21 VAL 38 -8.879 -2.875 3.992 277 HG22 VAL 38 HG22 VAL 38 -9.068 -4.617 3.699 278 HG23 VAL 38 HG23 VAL 38 -7.836 -4.021 4.811 279 H ALA 39 HN ALA 39 -12.305 -5.567 6.213 280 HA ALA 39 HA ALA 39 -12.592 -7.846 4.543 281 HB1 ALA 39 HB1 ALA 39 -14.681 -5.861 5.478 282 HB2 ALA 39 HB2 ALA 39 -14.233 -7.348 6.315 283 HB3 ALA 39 HB3 ALA 39 -15.008 -7.426 4.731 284 H GLY 40 HN GLY 40 -11.479 -7.256 2.812 285 HA2 GLY 40 HA2 GLY 40 -12.654 -6.563 0.533 286 HA3 GLY 40 HA1 GLY 40 -12.143 -5.004 1.199 287 H ARG 41 HN ARG 41 -10.386 -4.500 0.012 288 HA ARG 41 HA ARG 41 -8.150 -6.324 0.279 289 HB2 ARG 41 HB2 ARG 41 -9.167 -5.248 -2.341 290 HB3 ARG 41 HB1 ARG 41 -7.485 -5.780 -2.109 291 HG2 ARG 41 HG2 ARG 41 -8.139 -7.780 -1.470 292 HG3 ARG 41 HG1 ARG 41 -9.895 -7.511 -1.543 293 HD2 ARG 41 HD2 ARG 41 -9.363 -8.760 -3.509 294 HD3 ARG 41 HD1 ARG 41 -9.381 -7.093 -4.073 295 HE ARG 41 HE ARG 41 -6.915 -7.147 -3.769 296 HH11 ARG 41 HH11 ARG 41 -8.648 -10.184 -4.390 297 HH12 ARG 41 HH12 ARG 41 -7.361 -10.920 -5.219 298 HH21 ARG 41 HH21 ARG 41 -5.162 -8.140 -4.929 299 HH22 ARG 41 HH22 ARG 41 -5.293 -9.710 -5.545 300 H LYS 42 HN LYS 42 -6.416 -5.366 1.004 301 HA LYS 42 HA LYS 42 -6.539 -2.447 1.074 302 HB2 LYS 42 HB2 LYS 42 -6.755 -3.524 3.266 303 HB3 LYS 42 HB1 LYS 42 -5.241 -4.355 3.068 304 HG2 LYS 42 HG2 LYS 42 -5.054 -2.457 4.560 305 HG3 LYS 42 HG1 LYS 42 -4.046 -2.242 3.134 306 HD2 LYS 42 HD2 LYS 42 -5.513 -0.626 2.226 307 HD3 LYS 42 HD1 LYS 42 -6.798 -0.998 3.393 308 HE2 LYS 42 HE2 LYS 42 -5.516 -0.095 5.157 309 HE3 LYS 42 HE1 LYS 42 -4.085 0.099 4.153 310 HZ1 LYS 42 HZ1 LYS 42 -5.470 1.734 2.771 311 HZ2 LYS 42 HZ2 LYS 42 -4.988 2.252 4.243 312 HZ3 LYS 42 HZ3 LYS 42 -6.603 1.763 4.030 313 H CYS 43 HN CYS 43 -4.773 -1.285 0.676 314 HA CYS 43 HA CYS 43 -2.695 -2.494 -0.915 315 HB2 CYS 43 HB2 CYS 43 -3.880 -0.531 -1.713 316 HB3 CYS 43 HB1 CYS 43 -3.492 0.327 -0.240 317 H TYR 44 HN TYR 44 -0.584 -2.575 -0.228 318 HA TYR 44 HA TYR 44 0.100 -1.189 2.221 319 HB2 TYR 44 HB2 TYR 44 0.797 -3.983 1.404 320 HB3 TYR 44 HB1 TYR 44 1.734 -3.066 2.569 321 HD1 TYR 44 HD1 TYR 44 1.185 -3.177 4.807 322 HD2 TYR 44 HD2 TYR 44 -1.682 -4.290 1.908 323 HE1 TYR 44 HE1 TYR 44 -0.238 -4.086 6.576 324 HE2 TYR 44 HE2 TYR 44 -3.124 -5.177 3.674 325 HH TYR 44 HH TYR 44 -2.610 -6.182 5.925 326 H CYS 45 HN CYS 45 1.968 -0.304 2.158 327 HA CYS 45 HA CYS 45 3.219 -0.077 -0.405 328 HB2 CYS 45 HB2 CYS 45 3.560 1.461 2.155 329 HB3 CYS 45 HB1 CYS 45 4.234 1.909 0.631 330 H TYR 46 HN TYR 46 5.229 -0.748 -0.739 331 HA TYR 46 HA TYR 46 6.467 -2.176 1.467 332 HB2 TYR 46 HB2 TYR 46 6.486 -2.716 -1.466 333 HB3 TYR 46 HB1 TYR 46 7.687 -3.428 -0.401 334 HD1 TYR 46 HD1 TYR 46 7.254 -5.477 0.496 335 HD2 TYR 46 HD2 TYR 46 3.924 -3.152 -0.771 336 HE1 TYR 46 HE1 TYR 46 5.784 -7.338 0.980 337 HE2 TYR 46 HE2 TYR 46 2.445 -4.958 -0.273 338 HH TYR 46 HH TYR 46 2.557 -7.462 -0.104 339 H LYS 47 HN LYS 47 8.393 -1.781 2.058 340 HA LYS 47 HA LYS 47 10.041 -0.094 0.425 341 HB2 LYS 47 HB2 LYS 47 10.605 1.351 2.457 342 HB3 LYS 47 HB1 LYS 47 9.075 1.644 1.657 343 HG2 LYS 47 HG2 LYS 47 7.905 0.434 3.428 344 HG3 LYS 47 HG1 LYS 47 9.442 0.069 4.210 345 HD2 LYS 47 HD2 LYS 47 9.852 2.396 4.642 346 HD3 LYS 47 HD1 LYS 47 8.452 2.869 3.682 347 HE2 LYS 47 HE2 LYS 47 7.977 2.999 6.090 348 HE3 LYS 47 HE1 LYS 47 6.968 1.794 5.299 349 HZ1 LYS 47 HZ1 LYS 47 9.395 1.228 6.906 350 HZ2 LYS 47 HZ2 LYS 47 8.429 0.089 6.087 351 HZ3 LYS 47 HZ3 LYS 47 7.772 0.977 7.351 352 HA PRO 48 HA PRO 48 13.023 -3.000 1.769 353 HB2 PRO 48 HB2 PRO 48 15.235 -1.701 0.911 354 HB3 PRO 48 HB1 PRO 48 14.102 -2.463 -0.225 355 HG2 PRO 48 HG2 PRO 48 14.347 0.403 0.518 356 HG3 PRO 48 HG1 PRO 48 14.074 -0.332 -1.075 357 HD2 PRO 48 HD2 PRO 48 12.037 0.737 0.373 358 HD3 PRO 48 HD1 PRO 48 11.843 -0.651 -0.715 359 H CYS 49 HN CYS 49 13.367 -3.233 3.743 360 HA CYS 49 HA CYS 49 15.012 -1.316 5.233 361 HB2 CYS 49 HB2 CYS 49 13.970 -2.681 7.211 362 HB3 CYS 49 HB1 CYS 49 12.994 -1.429 6.451 363 HA PRO 50 HA PRO 50 18.148 -4.413 5.217 364 HB2 PRO 50 HB2 PRO 50 18.824 -4.655 7.904 365 HB3 PRO 50 HB1 PRO 50 19.439 -3.376 6.837 366 HG2 PRO 50 HG2 PRO 50 17.223 -3.256 8.804 367 HG3 PRO 50 HG1 PRO 50 18.443 -2.033 8.398 368 HD2 PRO 50 HD2 PRO 50 15.944 -1.835 7.485 369 HD3 PRO 50 HD1 PRO 50 17.334 -1.346 6.500 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 15.156 -5.220 4.201 2 H2 ARG 1 HT2 ARG 1 15.270 -6.673 3.364 3 H3 ARG 1 HT3 ARG 1 15.714 -6.517 5.015 4 HA ARG 1 HA ARG 1 13.388 -7.481 4.618 5 HB2 ARG 1 HB2 ARG 1 13.933 -5.069 6.329 6 HB3 ARG 1 HB1 ARG 1 12.404 -5.924 6.385 7 HG2 ARG 1 HG2 ARG 1 13.454 -7.891 7.221 8 HG3 ARG 1 HG1 ARG 1 15.061 -7.216 6.931 9 HD2 ARG 1 HD2 ARG 1 14.729 -5.531 8.577 10 HD3 ARG 1 HD1 ARG 1 13.044 -5.964 8.776 11 HE ARG 1 HE ARG 1 13.680 -7.993 9.824 12 HH11 ARG 1 HH11 ARG 1 16.462 -5.855 9.281 13 HH12 ARG 1 HH12 ARG 1 17.390 -6.438 10.553 14 HH21 ARG 1 HH21 ARG 1 14.980 -8.859 11.636 15 HH22 ARG 1 HH22 ARG 1 16.525 -8.204 11.936 16 H MET 2 HN MET 2 11.197 -6.956 4.350 17 HA MET 2 HA MET 2 10.691 -4.662 2.581 18 HB2 MET 2 HB2 MET 2 9.391 -7.385 2.751 19 HB3 MET 2 HB1 MET 2 8.721 -6.032 1.854 20 HG2 MET 2 HG2 MET 2 10.634 -5.981 0.412 21 HG3 MET 2 HG1 MET 2 11.413 -7.241 1.368 22 HE1 MET 2 HE1 MET 2 11.035 -7.356 -1.833 23 HE2 MET 2 HE2 MET 2 10.543 -9.038 -2.044 24 HE3 MET 2 HE3 MET 2 11.828 -8.631 -0.906 25 H CYS 3 HN CYS 3 10.134 -3.207 3.866 26 HA CYS 3 HA CYS 3 8.495 -3.722 6.154 27 HB2 CYS 3 HB2 CYS 3 9.823 -1.347 4.965 28 HB3 CYS 3 HB1 CYS 3 8.594 -1.102 6.190 29 H LYS 4 HN LYS 4 6.449 -4.032 5.960 30 HA LYS 4 HA LYS 4 4.985 -2.914 3.716 31 HB2 LYS 4 HB2 LYS 4 4.843 -5.366 4.370 32 HB3 LYS 4 HB1 LYS 4 4.014 -4.854 5.832 33 HG2 LYS 4 HG2 LYS 4 2.199 -3.918 4.491 34 HG3 LYS 4 HG1 LYS 4 3.086 -4.316 3.035 35 HD2 LYS 4 HD2 LYS 4 1.391 -5.955 3.322 36 HD3 LYS 4 HD1 LYS 4 2.943 -6.703 3.629 37 HE2 LYS 4 HE2 LYS 4 2.576 -6.543 6.046 38 HE3 LYS 4 HE1 LYS 4 1.019 -5.766 5.760 39 HZ1 LYS 4 HZ1 LYS 4 0.815 -8.182 6.216 40 HZ2 LYS 4 HZ2 LYS 4 1.671 -8.513 4.788 41 HZ3 LYS 4 HZ3 LYS 4 0.194 -7.769 4.728 42 H THR 5 HN THR 5 4.166 -0.994 4.018 43 HA THR 5 HA THR 5 3.374 -0.043 6.679 44 HB THR 5 HB THR 5 4.170 1.345 4.135 45 HG1 THR 5 HG1 THR 5 5.592 0.172 5.826 46 HG21 THR 5 HG21 THR 5 2.618 2.718 5.372 47 HG22 THR 5 HG22 THR 5 4.239 3.402 5.437 48 HG23 THR 5 HG23 THR 5 3.582 2.550 6.852 49 HA PRO 6 HA PRO 6 -0.798 -0.111 4.816 50 HB2 PRO 6 HB2 PRO 6 -1.791 1.501 6.996 51 HB3 PRO 6 HB1 PRO 6 -2.041 -0.232 6.690 52 HG2 PRO 6 HG2 PRO 6 -0.586 0.751 8.788 53 HG3 PRO 6 HG1 PRO 6 -0.405 -0.871 8.099 54 HD2 PRO 6 HD2 PRO 6 1.316 1.531 7.709 55 HD3 PRO 6 HD1 PRO 6 1.744 -0.192 7.769 56 H SER 7 HN SER 7 -1.119 1.158 3.090 57 HA SER 7 HA SER 7 -0.413 3.803 2.750 58 HB2 SER 7 HB2 SER 7 -2.720 2.474 1.392 59 HB3 SER 7 HB1 SER 7 -1.475 3.530 0.705 60 HG SER 7 HG SER 7 -0.158 1.941 0.543 61 H GLY 8 HN GLY 8 -1.682 5.719 2.771 62 HA2 GLY 8 HA2 GLY 8 -3.994 5.518 4.583 63 HA3 GLY 8 HA1 GLY 8 -2.890 6.878 4.516 64 H LYS 9 HN LYS 9 -3.035 6.652 1.393 65 HA LYS 9 HA LYS 9 -5.517 8.209 1.370 66 HB2 LYS 9 HB2 LYS 9 -4.438 9.293 -0.680 67 HB3 LYS 9 HB1 LYS 9 -3.829 9.785 0.916 68 HG2 LYS 9 HG2 LYS 9 -1.900 9.457 -0.234 69 HG3 LYS 9 HG1 LYS 9 -2.126 7.851 0.370 70 HD2 LYS 9 HD2 LYS 9 -1.915 7.231 -1.656 71 HD3 LYS 9 HD1 LYS 9 -3.609 7.768 -1.834 72 HE2 LYS 9 HE2 LYS 9 -2.246 8.611 -3.631 73 HE3 LYS 9 HE1 LYS 9 -2.744 9.960 -2.590 74 HZ1 LYS 9 HZ1 LYS 9 -0.365 10.137 -3.122 75 HZ2 LYS 9 HZ2 LYS 9 -0.115 8.566 -2.538 76 HZ3 LYS 9 HZ3 LYS 9 -0.549 9.783 -1.477 77 H PHE 10 HN PHE 10 -4.213 5.557 0.515 78 HA PHE 10 HA PHE 10 -5.574 4.874 -1.895 79 HB2 PHE 10 HB2 PHE 10 -3.856 3.411 -0.542 80 HB3 PHE 10 HB1 PHE 10 -5.331 2.953 0.324 81 HD1 PHE 10 HD1 PHE 10 -6.876 1.392 -0.550 82 HD2 PHE 10 HD2 PHE 10 -3.805 3.037 -2.882 83 HE1 PHE 10 HE1 PHE 10 -7.412 -0.232 -2.322 84 HE2 PHE 10 HE2 PHE 10 -4.288 1.411 -4.726 85 HZ PHE 10 HZ PHE 10 -6.115 -0.226 -4.421 86 H LYS 11 HN LYS 11 -7.638 4.948 -2.147 87 HA LYS 11 HA LYS 11 -9.428 4.226 0.070 88 HB2 LYS 11 HB2 LYS 11 -9.987 6.455 -1.909 89 HB3 LYS 11 HB1 LYS 11 -10.988 5.996 -0.548 90 HG2 LYS 11 HG2 LYS 11 -8.231 7.227 -0.384 91 HG3 LYS 11 HG1 LYS 11 -9.751 8.068 -0.112 92 HD2 LYS 11 HD2 LYS 11 -8.768 5.730 1.542 93 HD3 LYS 11 HD1 LYS 11 -8.526 7.417 1.975 94 HE2 LYS 11 HE2 LYS 11 -11.207 6.078 1.594 95 HE3 LYS 11 HE1 LYS 11 -10.440 6.411 3.145 96 HZ1 LYS 11 HZ1 LYS 11 -10.496 8.754 2.647 97 HZ2 LYS 11 HZ2 LYS 11 -12.063 8.109 2.577 98 HZ3 LYS 11 HZ3 LYS 11 -11.216 8.456 1.146 99 H GLY 12 HN GLY 12 -9.805 2.165 -0.762 100 HA2 GLY 12 HA2 GLY 12 -11.906 1.627 -2.248 101 HA3 GLY 12 HA1 GLY 12 -10.703 1.940 -3.494 102 H TYR 13 HN TYR 13 -11.064 -0.245 -4.101 103 HA TYR 13 HA TYR 13 -10.154 -2.336 -2.307 104 HB2 TYR 13 HB2 TYR 13 -11.679 -2.232 -4.825 105 HB3 TYR 13 HB1 TYR 13 -10.638 -3.630 -4.598 106 HD1 TYR 13 HD1 TYR 13 -13.608 -1.856 -3.353 107 HD2 TYR 13 HD2 TYR 13 -11.078 -5.234 -2.936 108 HE1 TYR 13 HE1 TYR 13 -15.313 -2.953 -1.948 109 HE2 TYR 13 HE2 TYR 13 -12.712 -6.342 -1.553 110 HH TYR 13 HH TYR 13 -14.700 -5.657 -0.051 111 H CYS 14 HN CYS 14 -8.156 -3.122 -2.312 112 HA CYS 14 HA CYS 14 -6.413 -2.395 -4.497 113 HB2 CYS 14 HB2 CYS 14 -5.755 -2.329 -1.988 114 HB3 CYS 14 HB1 CYS 14 -5.610 -4.076 -2.126 115 H VAL 15 HN VAL 15 -8.087 -3.786 -5.632 116 HA VAL 15 HA VAL 15 -7.555 -6.555 -5.789 117 HB VAL 15 HB VAL 15 -8.685 -6.491 -8.049 118 HG11 VAL 15 HG11 VAL 15 -10.136 -5.143 -5.779 119 HG12 VAL 15 HG12 VAL 15 -10.000 -6.878 -6.060 120 HG13 VAL 15 HG13 VAL 15 -10.907 -5.870 -7.186 121 HG21 VAL 15 HG21 VAL 15 -8.034 -4.236 -8.748 122 HG22 VAL 15 HG22 VAL 15 -8.993 -3.542 -7.441 123 HG23 VAL 15 HG23 VAL 15 -9.789 -4.405 -8.756 124 H ASN 16 HN ASN 16 -6.174 -3.772 -7.311 125 HA ASN 16 HA ASN 16 -4.315 -5.464 -8.827 126 HB2 ASN 16 HB2 ASN 16 -5.638 -4.117 -10.326 127 HB3 ASN 16 HB1 ASN 16 -5.334 -2.670 -9.377 128 HD21 ASN 16 HD21 ASN 16 -4.565 -1.613 -11.211 129 HD22 ASN 16 HD22 ASN 16 -3.024 -1.959 -11.901 130 H ASN 17 HN ASN 17 -2.348 -5.506 -8.119 131 HA ASN 17 HA ASN 17 -1.449 -4.000 -5.907 132 HB2 ASN 17 HB2 ASN 17 0.157 -5.696 -7.831 133 HB3 ASN 17 HB1 ASN 17 0.809 -4.983 -6.365 134 HD21 ASN 17 HD21 ASN 17 -1.056 -7.554 -7.712 135 HD22 ASN 17 HD22 ASN 17 -1.309 -8.390 -6.221 136 H THR 18 HN THR 18 -1.093 -3.537 -9.346 137 HA THR 18 HA THR 18 0.961 -1.617 -9.278 138 HB THR 18 HB THR 18 -1.270 -1.900 -11.310 139 HG1 THR 18 HG1 THR 18 -0.286 -3.707 -11.949 140 HG21 THR 18 HG21 THR 18 1.623 -1.013 -11.562 141 HG22 THR 18 HG22 THR 18 0.226 0.062 -11.599 142 HG23 THR 18 HG23 THR 18 0.460 -1.124 -12.884 143 H ASN 19 HN ASN 19 -2.491 -1.435 -8.516 144 HA ASN 19 HA ASN 19 -2.801 1.395 -8.918 145 HB2 ASN 19 HB2 ASN 19 -4.754 -0.224 -8.901 146 HB3 ASN 19 HB1 ASN 19 -4.429 -0.496 -7.190 147 HD21 ASN 19 HD21 ASN 19 -6.478 0.257 -6.546 148 HD22 ASN 19 HD22 ASN 19 -6.851 1.940 -6.634 149 H CYS 20 HN CYS 20 -2.401 -0.838 -6.242 150 HA CYS 20 HA CYS 20 -2.180 0.823 -4.011 151 HB2 CYS 20 HB2 CYS 20 -2.008 -1.805 -4.267 152 HB3 CYS 20 HB1 CYS 20 -0.361 -1.461 -4.550 153 H LYS 21 HN LYS 21 0.073 -0.368 -6.331 154 HA LYS 21 HA LYS 21 2.349 0.314 -5.305 155 HB2 LYS 21 HB2 LYS 21 1.534 -0.816 -7.585 156 HB3 LYS 21 HB1 LYS 21 2.111 0.741 -8.181 157 HG2 LYS 21 HG2 LYS 21 4.295 0.316 -7.443 158 HG3 LYS 21 HG1 LYS 21 3.775 -1.178 -6.640 159 HD2 LYS 21 HD2 LYS 21 3.089 -2.144 -8.724 160 HD3 LYS 21 HD1 LYS 21 3.430 -0.643 -9.579 161 HE2 LYS 21 HE2 LYS 21 5.160 -2.199 -9.981 162 HE3 LYS 21 HE1 LYS 21 5.725 -0.849 -8.971 163 HZ1 LYS 21 HZ1 LYS 21 5.636 -2.292 -7.017 164 HZ2 LYS 21 HZ2 LYS 21 6.560 -3.055 -8.199 165 HZ3 LYS 21 HZ3 LYS 21 4.970 -3.541 -7.939 166 H ASN 22 HN ASN 22 0.353 2.061 -7.695 167 HA ASN 22 HA ASN 22 1.993 4.339 -8.027 168 HB2 ASN 22 HB2 ASN 22 -0.956 3.981 -8.579 169 HB3 ASN 22 HB1 ASN 22 -0.030 5.399 -9.047 170 HD21 ASN 22 HD21 ASN 22 -1.442 3.536 -10.723 171 HD22 ASN 22 HD22 ASN 22 -0.276 2.861 -11.808 172 H VAL 23 HN VAL 23 -0.788 3.688 -6.030 173 HA VAL 23 HA VAL 23 -1.132 6.203 -4.919 174 HB VAL 23 HB VAL 23 -1.695 3.436 -3.821 175 HG11 VAL 23 HG11 VAL 23 -3.013 4.481 -2.052 176 HG12 VAL 23 HG12 VAL 23 -2.795 6.030 -2.792 177 HG13 VAL 23 HG13 VAL 23 -1.415 5.235 -2.035 178 HG21 VAL 23 HG21 VAL 23 -4.022 4.099 -4.401 179 HG22 VAL 23 HG22 VAL 23 -2.940 3.984 -5.784 180 HG23 VAL 23 HG23 VAL 23 -3.365 5.573 -5.108 181 H CYS 24 HN CYS 24 0.712 3.463 -3.658 182 HA CYS 24 HA CYS 24 1.892 4.753 -1.492 183 HB2 CYS 24 HB2 CYS 24 2.624 2.326 -3.094 184 HB3 CYS 24 HB1 CYS 24 3.547 2.770 -1.675 185 H ARG 25 HN ARG 25 2.956 4.413 -4.822 186 HA ARG 25 HA ARG 25 5.496 5.535 -4.442 187 HB2 ARG 25 HB2 ARG 25 3.776 5.385 -6.918 188 HB3 ARG 25 HB1 ARG 25 5.457 5.923 -6.930 189 HG2 ARG 25 HG2 ARG 25 6.266 3.815 -6.289 190 HG3 ARG 25 HG1 ARG 25 4.677 3.275 -5.760 191 HD2 ARG 25 HD2 ARG 25 5.086 2.162 -7.784 192 HD3 ARG 25 HD1 ARG 25 3.958 3.480 -8.139 193 HE ARG 25 HE ARG 25 6.777 3.862 -8.502 194 HH11 ARG 25 HH11 ARG 25 3.561 3.526 -10.061 195 HH12 ARG 25 HH12 ARG 25 4.077 3.995 -11.582 196 HH21 ARG 25 HH21 ARG 25 7.494 4.521 -10.688 197 HH22 ARG 25 HH22 ARG 25 6.383 4.575 -11.974 198 H THR 26 HN THR 26 2.355 6.913 -4.862 199 HA THR 26 HA THR 26 3.343 9.622 -5.104 200 HB THR 26 HB THR 26 0.475 8.755 -4.578 201 HG1 THR 26 HG1 THR 26 1.452 7.740 -6.507 202 HG21 THR 26 HG21 THR 26 -0.094 10.839 -5.741 203 HG22 THR 26 HG22 THR 26 1.618 11.188 -5.971 204 HG23 THR 26 HG23 THR 26 0.935 11.170 -4.346 205 H GLU 27 HN GLU 27 2.608 7.440 -2.462 206 HA GLU 27 HA GLU 27 2.336 9.574 -0.531 207 HB2 GLU 27 HB2 GLU 27 2.549 6.566 -0.156 208 HB3 GLU 27 HB1 GLU 27 2.287 7.716 1.155 209 HG2 GLU 27 HG2 GLU 27 0.216 8.416 0.157 210 HG3 GLU 27 HG1 GLU 27 0.523 7.351 -1.216 211 H GLY 28 HN GLY 28 4.805 7.617 -1.864 212 HA2 GLY 28 HA2 GLY 28 7.046 8.732 -1.736 213 HA3 GLY 28 HA1 GLY 28 6.748 8.852 -0.005 214 H PHE 29 HN PHE 29 6.051 6.121 -2.126 215 HA PHE 29 HA PHE 29 8.091 4.576 -0.702 216 HB2 PHE 29 HB2 PHE 29 5.309 3.717 -1.465 217 HB3 PHE 29 HB1 PHE 29 6.535 2.649 -0.799 218 HD1 PHE 29 HD1 PHE 29 7.096 2.723 1.515 219 HD2 PHE 29 HD2 PHE 29 4.232 5.376 -0.124 220 HE1 PHE 29 HE1 PHE 29 6.360 3.280 3.765 221 HE2 PHE 29 HE2 PHE 29 3.446 5.980 2.092 222 HZ PHE 29 HZ PHE 29 4.510 4.939 4.094 223 HA PRO 30 HA PRO 30 9.431 3.392 -4.757 224 HB2 PRO 30 HB2 PRO 30 10.223 0.802 -4.171 225 HB3 PRO 30 HB1 PRO 30 11.235 2.228 -3.902 226 HG2 PRO 30 HG2 PRO 30 9.638 0.674 -1.958 227 HG3 PRO 30 HG1 PRO 30 11.178 1.526 -1.741 228 HD2 PRO 30 HD2 PRO 30 8.845 2.494 -0.819 229 HD3 PRO 30 HD1 PRO 30 10.171 3.540 -1.357 230 H THR 31 HN THR 31 7.273 1.192 -2.918 231 HA THR 31 HA THR 31 5.843 0.653 -5.310 232 HB THR 31 HB THR 31 7.624 -0.937 -5.621 233 HG1 THR 31 HG1 THR 31 5.809 -2.733 -4.597 234 HG21 THR 31 HG21 THR 31 8.548 -1.087 -3.421 235 HG22 THR 31 HG22 THR 31 8.092 -2.731 -3.897 236 HG23 THR 31 HG23 THR 31 7.078 -1.801 -2.784 237 H GLY 32 HN GLY 32 4.046 -0.958 -4.758 238 HA2 GLY 32 HA2 GLY 32 3.262 -0.962 -2.021 239 HA3 GLY 32 HA1 GLY 32 2.213 -0.087 -3.157 240 H SER 33 HN SER 33 1.559 -2.429 -1.782 241 HA SER 33 HA SER 33 0.798 -4.102 -3.963 242 HB2 SER 33 HB2 SER 33 2.830 -4.891 -1.955 243 HB3 SER 33 HB1 SER 33 1.870 -6.164 -2.741 244 HG SER 33 HG SER 33 2.919 -4.243 -4.365 245 H CYS 34 HN CYS 34 -0.658 -5.897 -3.145 246 HA CYS 34 HA CYS 34 -2.394 -4.570 -1.258 247 HB2 CYS 34 HB2 CYS 34 -2.994 -6.864 -3.110 248 HB3 CYS 34 HB1 CYS 34 -4.144 -5.883 -2.201 249 H ASP 35 HN ASP 35 -3.574 -5.789 0.273 250 HA ASP 35 HA ASP 35 -2.480 -8.325 1.191 251 HB2 ASP 35 HB2 ASP 35 -1.131 -6.605 2.171 252 HB3 ASP 35 HB1 ASP 35 -2.558 -5.717 2.654 253 H PHE 36 HN PHE 36 -3.941 -9.279 2.759 254 HA PHE 36 HA PHE 36 -6.592 -8.133 2.757 255 HB2 PHE 36 HB2 PHE 36 -6.837 -9.930 1.239 256 HB3 PHE 36 HB1 PHE 36 -5.771 -10.971 2.167 257 HD1 PHE 36 HD1 PHE 36 -8.716 -9.009 3.464 258 HD2 PHE 36 HD2 PHE 36 -7.080 -12.823 2.510 259 HE1 PHE 36 HE1 PHE 36 -10.628 -10.065 4.524 260 HE2 PHE 36 HE2 PHE 36 -9.022 -13.915 3.588 261 HZ PHE 36 HZ PHE 36 -10.800 -12.538 4.596 262 H HIS 37 HN HIS 37 -6.896 -7.510 4.643 263 HA HIS 37 HA HIS 37 -6.532 -9.367 6.863 264 HB2 HIS 37 HB2 HIS 37 -5.048 -7.962 8.111 265 HB3 HIS 37 HB1 HIS 37 -4.574 -7.717 6.422 266 HD1 HIS 37 HD1 HIS 37 -6.019 -5.907 9.279 267 HD2 HIS 37 HD2 HIS 37 -5.073 -5.240 5.302 268 HE1 HIS 37 HE1 HIS 37 -6.040 -3.408 8.977 269 HE2 HIS 37 HE2 HIS 37 -4.817 -3.241 6.812 270 H VAL 38 HN VAL 38 -8.587 -7.749 5.142 271 HA VAL 38 HA VAL 38 -10.347 -6.992 7.248 272 HB VAL 38 HB VAL 38 -10.846 -4.733 6.066 273 HG11 VAL 38 HG11 VAL 38 -9.825 -4.754 8.277 274 HG12 VAL 38 HG12 VAL 38 -9.099 -3.486 7.277 275 HG13 VAL 38 HG13 VAL 38 -8.234 -4.990 7.551 276 HG21 VAL 38 HG21 VAL 38 -8.992 -3.676 4.861 277 HG22 VAL 38 HG22 VAL 38 -9.470 -5.164 4.027 278 HG23 VAL 38 HG23 VAL 38 -8.034 -5.131 5.047 279 H ALA 39 HN ALA 39 -12.506 -6.435 6.342 280 HA ALA 39 HA ALA 39 -13.127 -8.223 4.219 281 HB1 ALA 39 HB1 ALA 39 -14.890 -6.180 5.595 282 HB2 ALA 39 HB2 ALA 39 -14.707 -7.866 6.079 283 HB3 ALA 39 HB3 ALA 39 -15.449 -7.468 4.530 284 H GLY 40 HN GLY 40 -11.807 -7.391 2.674 285 HA2 GLY 40 HA2 GLY 40 -12.774 -6.053 0.601 286 HA3 GLY 40 HA1 GLY 40 -12.144 -4.761 1.633 287 H ARG 41 HN ARG 41 -10.393 -4.260 0.310 288 HA ARG 41 HA ARG 41 -8.239 -6.199 0.494 289 HB2 ARG 41 HB2 ARG 41 -9.107 -4.874 -2.084 290 HB3 ARG 41 HB1 ARG 41 -7.532 -5.664 -1.807 291 HG2 ARG 41 HG2 ARG 41 -8.478 -7.640 -1.452 292 HG3 ARG 41 HG1 ARG 41 -10.174 -7.098 -1.440 293 HD2 ARG 41 HD2 ARG 41 -9.831 -8.221 -3.500 294 HD3 ARG 41 HD1 ARG 41 -9.636 -6.520 -3.913 295 HE ARG 41 HE ARG 41 -7.199 -6.921 -3.695 296 HH11 ARG 41 HH11 ARG 41 -9.319 -9.662 -4.489 297 HH12 ARG 41 HH12 ARG 41 -8.162 -10.477 -5.423 298 HH21 ARG 41 HH21 ARG 41 -5.621 -8.025 -4.994 299 HH22 ARG 41 HH22 ARG 41 -5.974 -9.507 -5.736 300 H LYS 42 HN LYS 42 -6.497 -5.244 1.354 301 HA LYS 42 HA LYS 42 -6.636 -2.357 1.490 302 HB2 LYS 42 HB2 LYS 42 -6.837 -3.519 3.641 303 HB3 LYS 42 HB1 LYS 42 -5.364 -4.395 3.376 304 HG2 LYS 42 HG2 LYS 42 -5.089 -2.557 4.959 305 HG3 LYS 42 HG1 LYS 42 -4.069 -2.357 3.542 306 HD2 LYS 42 HD2 LYS 42 -5.532 -0.670 2.657 307 HD3 LYS 42 HD1 LYS 42 -6.717 -0.944 3.951 308 HE2 LYS 42 HE2 LYS 42 -5.194 -0.198 5.571 309 HE3 LYS 42 HE1 LYS 42 -3.871 -0.081 4.411 310 HZ1 LYS 42 HZ1 LYS 42 -4.741 2.138 4.811 311 HZ2 LYS 42 HZ2 LYS 42 -6.324 1.669 4.475 312 HZ3 LYS 42 HZ3 LYS 42 -5.152 1.700 3.261 313 H CYS 43 HN CYS 43 -4.935 -1.171 0.961 314 HA CYS 43 HA CYS 43 -2.811 -2.362 -0.611 315 HB2 CYS 43 HB2 CYS 43 -4.055 -0.534 -1.568 316 HB3 CYS 43 HB1 CYS 43 -3.811 0.438 -0.137 317 H TYR 44 HN TYR 44 -0.699 -2.324 0.046 318 HA TYR 44 HA TYR 44 0.005 -0.760 2.373 319 HB2 TYR 44 HB2 TYR 44 0.571 -3.645 1.841 320 HB3 TYR 44 HB1 TYR 44 1.605 -2.659 2.862 321 HD1 TYR 44 HD1 TYR 44 1.065 -2.290 5.094 322 HD2 TYR 44 HD2 TYR 44 -1.822 -3.895 2.467 323 HE1 TYR 44 HE1 TYR 44 -0.353 -2.817 7.010 324 HE2 TYR 44 HE2 TYR 44 -3.272 -4.426 4.336 325 HH TYR 44 HH TYR 44 -2.731 -4.941 6.815 326 H CYS 45 HN CYS 45 1.931 0.049 2.263 327 HA CYS 45 HA CYS 45 3.176 0.078 -0.334 328 HB2 CYS 45 HB2 CYS 45 3.725 1.771 2.096 329 HB3 CYS 45 HB1 CYS 45 4.246 2.080 0.477 330 H TYR 46 HN TYR 46 5.255 -0.546 -0.641 331 HA TYR 46 HA TYR 46 6.485 -1.902 1.625 332 HB2 TYR 46 HB2 TYR 46 6.414 -2.659 -1.253 333 HB3 TYR 46 HB1 TYR 46 7.630 -3.313 -0.168 334 HD1 TYR 46 HD1 TYR 46 3.890 -3.021 -0.547 335 HD2 TYR 46 HD2 TYR 46 7.182 -5.237 0.977 336 HE1 TYR 46 HE1 TYR 46 2.376 -4.761 0.119 337 HE2 TYR 46 HE2 TYR 46 5.685 -7.034 1.639 338 HH TYR 46 HH TYR 46 2.469 -7.229 0.534 339 H LYS 47 HN LYS 47 8.441 -1.485 2.138 340 HA LYS 47 HA LYS 47 10.076 -0.042 0.271 341 HB2 LYS 47 HB2 LYS 47 10.764 1.599 2.069 342 HB3 LYS 47 HB1 LYS 47 9.159 1.815 1.397 343 HG2 LYS 47 HG2 LYS 47 8.221 0.688 3.395 344 HG3 LYS 47 HG1 LYS 47 9.845 0.584 4.070 345 HD2 LYS 47 HD2 LYS 47 10.039 2.998 4.058 346 HD3 LYS 47 HD1 LYS 47 8.449 3.145 3.311 347 HE2 LYS 47 HE2 LYS 47 7.487 1.993 5.306 348 HE3 LYS 47 HE1 LYS 47 9.084 2.047 6.047 349 HZ1 LYS 47 HZ1 LYS 47 7.479 4.392 5.204 350 HZ2 LYS 47 HZ2 LYS 47 9.017 4.467 5.905 351 HZ3 LYS 47 HZ3 LYS 47 7.700 3.866 6.795 352 HA PRO 48 HA PRO 48 13.037 -2.890 1.808 353 HB2 PRO 48 HB2 PRO 48 15.240 -1.783 0.686 354 HB3 PRO 48 HB1 PRO 48 14.031 -2.645 -0.290 355 HG2 PRO 48 HG2 PRO 48 14.404 0.281 0.057 356 HG3 PRO 48 HG1 PRO 48 13.999 -0.645 -1.406 357 HD2 PRO 48 HD2 PRO 48 12.107 0.693 0.041 358 HD3 PRO 48 HD1 PRO 48 11.786 -0.786 -0.882 359 H CYS 49 HN CYS 49 13.289 -2.779 3.832 360 HA CYS 49 HA CYS 49 15.028 -0.731 5.003 361 HB2 CYS 49 HB2 CYS 49 14.006 -1.783 7.165 362 HB3 CYS 49 HB1 CYS 49 13.012 -0.672 6.230 363 HA PRO 50 HA PRO 50 18.144 -3.826 5.400 364 HB2 PRO 50 HB2 PRO 50 18.394 -3.355 8.319 365 HB3 PRO 50 HB1 PRO 50 19.616 -3.129 7.048 366 HG2 PRO 50 HG2 PRO 50 18.521 -1.036 8.220 367 HG3 PRO 50 HG1 PRO 50 18.870 -1.037 6.480 368 HD2 PRO 50 HD2 PRO 50 16.250 -1.420 7.859 369 HD3 PRO 50 HD1 PRO 50 16.636 -0.479 6.404 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 15.259 -5.189 4.274 2 H2 ARG 1 HT2 ARG 1 15.491 -6.564 3.336 3 H3 ARG 1 HT3 ARG 1 15.824 -6.527 5.017 4 HA ARG 1 HA ARG 1 13.577 -7.555 4.404 5 HB2 ARG 1 HB2 ARG 1 13.904 -5.265 6.322 6 HB3 ARG 1 HB1 ARG 1 12.409 -6.174 6.210 7 HG2 ARG 1 HG2 ARG 1 13.492 -8.164 6.962 8 HG3 ARG 1 HG1 ARG 1 15.080 -7.398 6.851 9 HD2 ARG 1 HD2 ARG 1 14.540 -5.862 8.589 10 HD3 ARG 1 HD1 ARG 1 12.869 -6.385 8.622 11 HE ARG 1 HE ARG 1 13.530 -8.459 9.563 12 HH11 ARG 1 HH11 ARG 1 16.232 -6.165 9.395 13 HH12 ARG 1 HH12 ARG 1 17.080 -6.783 10.706 14 HH21 ARG 1 HH21 ARG 1 14.715 -9.381 11.425 15 HH22 ARG 1 HH22 ARG 1 16.194 -8.677 11.898 16 H MET 2 HN MET 2 11.409 -7.149 3.987 17 HA MET 2 HA MET 2 10.849 -4.727 2.408 18 HB2 MET 2 HB2 MET 2 9.708 -7.523 2.309 19 HB3 MET 2 HB1 MET 2 8.964 -6.142 1.521 20 HG2 MET 2 HG2 MET 2 10.889 -5.840 0.134 21 HG3 MET 2 HG1 MET 2 11.740 -7.131 0.980 22 HE1 MET 2 HE1 MET 2 12.282 -8.300 -1.372 23 HE2 MET 2 HE2 MET 2 11.448 -6.991 -2.209 24 HE3 MET 2 HE3 MET 2 11.053 -8.668 -2.582 25 H CYS 3 HN CYS 3 10.207 -3.407 3.776 26 HA CYS 3 HA CYS 3 8.518 -4.143 5.964 27 HB2 CYS 3 HB2 CYS 3 9.789 -1.658 4.975 28 HB3 CYS 3 HB1 CYS 3 8.472 -1.508 6.113 29 H LYS 4 HN LYS 4 6.470 -4.492 5.695 30 HA LYS 4 HA LYS 4 5.055 -3.279 3.473 31 HB2 LYS 4 HB2 LYS 4 4.897 -5.754 4.033 32 HB3 LYS 4 HB1 LYS 4 4.067 -5.292 5.510 33 HG2 LYS 4 HG2 LYS 4 2.264 -4.301 4.216 34 HG3 LYS 4 HG1 LYS 4 3.135 -4.656 2.733 35 HD2 LYS 4 HD2 LYS 4 1.426 -6.285 2.997 36 HD3 LYS 4 HD1 LYS 4 2.987 -7.044 3.256 37 HE2 LYS 4 HE2 LYS 4 2.655 -6.969 5.682 38 HE3 LYS 4 HE1 LYS 4 1.115 -6.141 5.459 39 HZ1 LYS 4 HZ1 LYS 4 0.233 -8.105 4.361 40 HZ2 LYS 4 HZ2 LYS 4 0.787 -8.531 5.854 41 HZ3 LYS 4 HZ3 LYS 4 1.704 -8.891 4.469 42 H THR 5 HN THR 5 4.239 -1.364 3.847 43 HA THR 5 HA THR 5 3.491 -0.519 6.552 44 HB THR 5 HB THR 5 4.363 0.949 4.075 45 HG1 THR 5 HG1 THR 5 5.739 -0.437 5.427 46 HG21 THR 5 HG21 THR 5 2.915 2.333 5.449 47 HG22 THR 5 HG22 THR 5 4.571 2.913 5.489 48 HG23 THR 5 HG23 THR 5 3.914 2.019 6.882 49 HA PRO 6 HA PRO 6 -0.696 -0.368 4.750 50 HB2 PRO 6 HB2 PRO 6 -1.845 1.150 6.725 51 HB3 PRO 6 HB1 PRO 6 -1.611 -0.606 6.840 52 HG2 PRO 6 HG2 PRO 6 -0.038 1.575 8.084 53 HG3 PRO 6 HG1 PRO 6 -0.422 -0.041 8.705 54 HD2 PRO 6 HD2 PRO 6 2.008 0.620 7.658 55 HD3 PRO 6 HD1 PRO 6 1.342 -1.025 7.637 56 H SER 7 HN SER 7 -1.274 0.906 3.186 57 HA SER 7 HA SER 7 -0.230 3.425 2.613 58 HB2 SER 7 HB2 SER 7 -2.177 3.523 0.991 59 HB3 SER 7 HB1 SER 7 -1.114 2.119 0.848 60 HG SER 7 HG SER 7 -2.564 0.861 1.581 61 H GLY 8 HN GLY 8 -1.009 5.471 2.798 62 HA2 GLY 8 HA2 GLY 8 -2.871 5.835 5.014 63 HA3 GLY 8 HA1 GLY 8 -1.715 7.011 4.422 64 H LYS 9 HN LYS 9 -2.713 6.557 1.498 65 HA LYS 9 HA LYS 9 -5.210 8.012 1.980 66 HB2 LYS 9 HB2 LYS 9 -4.624 9.320 -0.044 67 HB3 LYS 9 HB1 LYS 9 -3.769 9.794 1.453 68 HG2 LYS 9 HG2 LYS 9 -2.141 9.842 -0.147 69 HG3 LYS 9 HG1 LYS 9 -2.017 8.199 0.411 70 HD2 LYS 9 HD2 LYS 9 -1.964 8.090 -1.935 71 HD3 LYS 9 HD1 LYS 9 -3.528 7.518 -1.308 72 HE2 LYS 9 HE2 LYS 9 -3.127 10.286 -2.414 73 HE3 LYS 9 HE1 LYS 9 -3.607 8.916 -3.423 74 HZ1 LYS 9 HZ1 LYS 9 -5.587 10.003 -2.852 75 HZ2 LYS 9 HZ2 LYS 9 -5.099 10.277 -1.276 76 HZ3 LYS 9 HZ3 LYS 9 -5.529 8.705 -1.739 77 H PHE 10 HN PHE 10 -3.826 5.598 0.634 78 HA PHE 10 HA PHE 10 -5.577 5.000 -1.528 79 HB2 PHE 10 HB2 PHE 10 -3.580 3.562 -0.663 80 HB3 PHE 10 HB1 PHE 10 -4.805 2.938 0.446 81 HD1 PHE 10 HD1 PHE 10 -6.572 1.456 -0.300 82 HD2 PHE 10 HD2 PHE 10 -3.790 3.193 -2.887 83 HE1 PHE 10 HE1 PHE 10 -7.290 -0.127 -2.048 84 HE2 PHE 10 HE2 PHE 10 -4.454 1.611 -4.726 85 HZ PHE 10 HZ PHE 10 -6.229 -0.051 -4.276 86 H LYS 11 HN LYS 11 -7.588 4.856 -1.518 87 HA LYS 11 HA LYS 11 -9.050 3.857 0.803 88 HB2 LYS 11 HB2 LYS 11 -10.729 5.682 0.318 89 HB3 LYS 11 HB1 LYS 11 -9.207 6.170 1.069 90 HG2 LYS 11 HG2 LYS 11 -8.331 6.874 -1.077 91 HG3 LYS 11 HG1 LYS 11 -9.799 6.326 -1.878 92 HD2 LYS 11 HD2 LYS 11 -9.577 8.400 0.200 93 HD3 LYS 11 HD1 LYS 11 -9.687 8.696 -1.553 94 HE2 LYS 11 HE2 LYS 11 -11.817 7.448 0.243 95 HE3 LYS 11 HE1 LYS 11 -11.931 8.994 -0.588 96 HZ1 LYS 11 HZ1 LYS 11 -13.166 7.264 -1.753 97 HZ2 LYS 11 HZ2 LYS 11 -11.770 6.335 -1.923 98 HZ3 LYS 11 HZ3 LYS 11 -11.892 7.822 -2.715 99 H GLY 12 HN GLY 12 -9.336 1.884 -0.470 100 HA2 GLY 12 HA2 GLY 12 -11.709 1.589 -1.732 101 HA3 GLY 12 HA1 GLY 12 -10.570 1.968 -3.021 102 H TYR 13 HN TYR 13 -11.197 -0.206 -3.698 103 HA TYR 13 HA TYR 13 -10.221 -2.437 -2.161 104 HB2 TYR 13 HB2 TYR 13 -11.951 -2.040 -4.470 105 HB3 TYR 13 HB1 TYR 13 -10.868 -3.412 -4.644 106 HD1 TYR 13 HD1 TYR 13 -11.128 -5.350 -3.345 107 HD2 TYR 13 HD2 TYR 13 -13.628 -1.994 -2.639 108 HE1 TYR 13 HE1 TYR 13 -12.574 -6.751 -1.990 109 HE2 TYR 13 HE2 TYR 13 -15.121 -3.395 -1.261 110 HH TYR 13 HH TYR 13 -15.684 -5.762 -0.960 111 H CYS 14 HN CYS 14 -8.171 -3.050 -2.212 112 HA CYS 14 HA CYS 14 -6.508 -2.294 -4.454 113 HB2 CYS 14 HB2 CYS 14 -5.799 -2.245 -1.961 114 HB3 CYS 14 HB1 CYS 14 -5.635 -3.990 -2.137 115 H VAL 15 HN VAL 15 -8.045 -3.692 -5.650 116 HA VAL 15 HA VAL 15 -7.661 -6.480 -5.774 117 HB VAL 15 HB VAL 15 -8.393 -4.618 -8.057 118 HG11 VAL 15 HG11 VAL 15 -8.771 -7.599 -7.783 119 HG12 VAL 15 HG12 VAL 15 -7.674 -6.770 -8.891 120 HG13 VAL 15 HG13 VAL 15 -9.416 -6.602 -9.089 121 HG21 VAL 15 HG21 VAL 15 -10.171 -6.145 -6.151 122 HG22 VAL 15 HG22 VAL 15 -10.721 -5.223 -7.551 123 HG23 VAL 15 HG23 VAL 15 -9.945 -4.396 -6.202 124 H ASN 16 HN ASN 16 -6.229 -3.896 -7.730 125 HA ASN 16 HA ASN 16 -4.179 -5.779 -8.698 126 HB2 ASN 16 HB2 ASN 16 -5.573 -4.516 -10.370 127 HB3 ASN 16 HB1 ASN 16 -4.901 -3.020 -9.743 128 HD21 ASN 16 HD21 ASN 16 -4.728 -3.898 -12.441 129 HD22 ASN 16 HD22 ASN 16 -3.068 -4.152 -12.807 130 H ASN 17 HN ASN 17 -2.236 -5.639 -7.984 131 HA ASN 17 HA ASN 17 -1.297 -4.061 -5.899 132 HB2 ASN 17 HB2 ASN 17 0.250 -5.534 -8.038 133 HB3 ASN 17 HB1 ASN 17 0.983 -4.839 -6.601 134 HD21 ASN 17 HD21 ASN 17 0.730 -7.642 -7.600 135 HD22 ASN 17 HD22 ASN 17 0.006 -8.490 -6.279 136 H THR 18 HN THR 18 -1.230 -3.485 -9.333 137 HA THR 18 HA THR 18 0.741 -1.488 -9.473 138 HB THR 18 HB THR 18 -1.707 -1.876 -11.216 139 HG1 THR 18 HG1 THR 18 -0.757 -3.782 -11.354 140 HG21 THR 18 HG21 THR 18 1.034 -0.740 -11.857 141 HG22 THR 18 HG22 THR 18 -0.448 0.203 -11.671 142 HG23 THR 18 HG23 THR 18 -0.304 -0.957 -12.992 143 H ASN 19 HN ASN 19 -2.698 -1.356 -8.473 144 HA ASN 19 HA ASN 19 -2.981 1.483 -8.807 145 HB2 ASN 19 HB2 ASN 19 -4.948 -0.116 -8.801 146 HB3 ASN 19 HB1 ASN 19 -4.612 -0.418 -7.096 147 HD21 ASN 19 HD21 ASN 19 -6.668 0.345 -6.472 148 HD22 ASN 19 HD22 ASN 19 -7.017 2.037 -6.517 149 H CYS 20 HN CYS 20 -2.446 -0.821 -6.226 150 HA CYS 20 HA CYS 20 -2.192 0.793 -3.957 151 HB2 CYS 20 HB2 CYS 20 -1.949 -1.830 -4.237 152 HB3 CYS 20 HB1 CYS 20 -0.339 -1.420 -4.637 153 H LYS 21 HN LYS 21 -0.007 -0.337 -6.357 154 HA LYS 21 HA LYS 21 2.299 0.392 -5.431 155 HB2 LYS 21 HB2 LYS 21 1.384 -0.729 -7.696 156 HB3 LYS 21 HB1 LYS 21 1.960 0.828 -8.287 157 HG2 LYS 21 HG2 LYS 21 4.152 0.383 -7.635 158 HG3 LYS 21 HG1 LYS 21 3.661 -1.097 -6.788 159 HD2 LYS 21 HD2 LYS 21 2.883 -2.079 -8.838 160 HD3 LYS 21 HD1 LYS 21 3.236 -0.596 -9.723 161 HE2 LYS 21 HE2 LYS 21 4.927 -2.199 -10.127 162 HE3 LYS 21 HE1 LYS 21 5.528 -0.830 -9.160 163 HZ1 LYS 21 HZ1 LYS 21 6.335 -3.047 -8.363 164 HZ2 LYS 21 HZ2 LYS 21 4.736 -3.466 -8.008 165 HZ3 LYS 21 HZ3 LYS 21 5.483 -2.209 -7.177 166 H ASN 22 HN ASN 22 0.177 2.106 -7.728 167 HA ASN 22 HA ASN 22 1.758 4.398 -8.122 168 HB2 ASN 22 HB2 ASN 22 -1.221 4.025 -8.489 169 HB3 ASN 22 HB1 ASN 22 -0.342 5.465 -8.988 170 HD21 ASN 22 HD21 ASN 22 -1.852 3.605 -10.592 171 HD22 ASN 22 HD22 ASN 22 -0.756 2.963 -11.763 172 H VAL 23 HN VAL 23 -0.938 3.761 -5.956 173 HA VAL 23 HA VAL 23 -1.066 6.323 -4.852 174 HB VAL 23 HB VAL 23 -1.835 3.661 -3.626 175 HG11 VAL 23 HG11 VAL 23 -3.274 4.981 -2.104 176 HG12 VAL 23 HG12 VAL 23 -2.677 6.449 -2.809 177 HG13 VAL 23 HG13 VAL 23 -1.586 5.422 -1.899 178 HG21 VAL 23 HG21 VAL 23 -3.345 5.694 -5.244 179 HG22 VAL 23 HG22 VAL 23 -4.132 4.497 -4.247 180 HG23 VAL 23 HG23 VAL 23 -3.110 3.962 -5.596 181 H CYS 24 HN CYS 24 0.637 3.436 -3.693 182 HA CYS 24 HA CYS 24 1.905 4.629 -1.511 183 HB2 CYS 24 HB2 CYS 24 2.633 2.261 -3.223 184 HB3 CYS 24 HB1 CYS 24 3.530 2.638 -1.768 185 H ARG 25 HN ARG 25 2.854 4.435 -4.883 186 HA ARG 25 HA ARG 25 5.423 5.541 -4.517 187 HB2 ARG 25 HB2 ARG 25 3.675 5.364 -6.970 188 HB3 ARG 25 HB1 ARG 25 5.339 5.946 -7.006 189 HG2 ARG 25 HG2 ARG 25 6.220 3.860 -6.420 190 HG3 ARG 25 HG1 ARG 25 4.671 3.278 -5.817 191 HD2 ARG 25 HD2 ARG 25 5.053 2.178 -7.874 192 HD3 ARG 25 HD1 ARG 25 3.822 3.416 -8.136 193 HE ARG 25 HE ARG 25 6.590 3.958 -8.713 194 HH11 ARG 25 HH11 ARG 25 3.257 3.578 -9.966 195 HH12 ARG 25 HH12 ARG 25 3.593 4.138 -11.502 196 HH21 ARG 25 HH21 ARG 25 7.066 4.754 -10.921 197 HH22 ARG 25 HH22 ARG 25 5.831 4.826 -12.087 198 H THR 26 HN THR 26 2.258 6.899 -4.798 199 HA THR 26 HA THR 26 3.129 9.618 -5.133 200 HB THR 26 HB THR 26 0.448 8.575 -4.152 201 HG1 THR 26 HG1 THR 26 1.121 7.784 -6.275 202 HG21 THR 26 HG21 THR 26 0.794 10.980 -3.756 203 HG22 THR 26 HG22 THR 26 -0.430 10.713 -4.995 204 HG23 THR 26 HG23 THR 26 1.201 11.202 -5.458 205 H GLU 27 HN GLU 27 2.188 7.500 -2.438 206 HA GLU 27 HA GLU 27 2.256 9.494 -0.428 207 HB2 GLU 27 HB2 GLU 27 2.417 6.471 -0.183 208 HB3 GLU 27 HB1 GLU 27 2.236 7.566 1.184 209 HG2 GLU 27 HG2 GLU 27 0.122 8.367 0.223 210 HG3 GLU 27 HG1 GLU 27 0.313 7.206 -1.090 211 H GLY 28 HN GLY 28 4.684 7.567 -1.887 212 HA2 GLY 28 HA2 GLY 28 6.930 8.702 -1.792 213 HA3 GLY 28 HA1 GLY 28 6.672 8.804 -0.057 214 H PHE 29 HN PHE 29 5.826 6.019 -1.960 215 HA PHE 29 HA PHE 29 7.974 4.530 -0.632 216 HB2 PHE 29 HB2 PHE 29 5.220 3.637 -1.441 217 HB3 PHE 29 HB1 PHE 29 6.457 2.579 -0.775 218 HD1 PHE 29 HD1 PHE 29 6.948 2.588 1.542 219 HD2 PHE 29 HD2 PHE 29 4.124 5.295 -0.083 220 HE1 PHE 29 HE1 PHE 29 6.146 3.063 3.786 221 HE2 PHE 29 HE2 PHE 29 3.283 5.818 2.145 222 HZ PHE 29 HZ PHE 29 4.295 4.701 4.126 223 HA PRO 30 HA PRO 30 9.416 3.409 -4.668 224 HB2 PRO 30 HB2 PRO 30 10.166 0.791 -4.089 225 HB3 PRO 30 HB1 PRO 30 11.195 2.205 -3.833 226 HG2 PRO 30 HG2 PRO 30 9.620 0.661 -1.877 227 HG3 PRO 30 HG1 PRO 30 11.135 1.556 -1.660 228 HD2 PRO 30 HD2 PRO 30 8.753 2.453 -0.763 229 HD3 PRO 30 HD1 PRO 30 10.067 3.532 -1.255 230 H THR 31 HN THR 31 7.235 1.157 -2.942 231 HA THR 31 HA THR 31 5.824 0.697 -5.369 232 HB THR 31 HB THR 31 7.623 -0.878 -5.719 233 HG1 THR 31 HG1 THR 31 5.703 -2.655 -4.783 234 HG21 THR 31 HG21 THR 31 8.057 -2.737 -4.068 235 HG22 THR 31 HG22 THR 31 7.019 -1.856 -2.928 236 HG23 THR 31 HG23 THR 31 8.498 -1.123 -3.511 237 H GLY 32 HN GLY 32 4.043 -1.003 -4.889 238 HA2 GLY 32 HA2 GLY 32 3.245 -1.113 -2.171 239 HA3 GLY 32 HA1 GLY 32 2.197 -0.200 -3.276 240 H SER 33 HN SER 33 1.612 -2.590 -1.973 241 HA SER 33 HA SER 33 0.841 -4.237 -4.196 242 HB2 SER 33 HB2 SER 33 2.821 -4.973 -2.131 243 HB3 SER 33 HB1 SER 33 1.858 -6.297 -2.809 244 HG SER 33 HG SER 33 3.649 -6.181 -4.020 245 H CYS 34 HN CYS 34 -0.774 -5.899 -3.439 246 HA CYS 34 HA CYS 34 -2.419 -4.586 -1.464 247 HB2 CYS 34 HB2 CYS 34 -3.079 -6.754 -3.441 248 HB3 CYS 34 HB1 CYS 34 -4.224 -5.858 -2.446 249 H ASP 35 HN ASP 35 -3.531 -5.734 0.128 250 HA ASP 35 HA ASP 35 -2.539 -8.354 0.932 251 HB2 ASP 35 HB2 ASP 35 -1.062 -6.692 1.873 252 HB3 ASP 35 HB1 ASP 35 -2.439 -5.783 2.459 253 H PHE 36 HN PHE 36 -3.965 -9.216 2.659 254 HA PHE 36 HA PHE 36 -6.602 -7.988 2.636 255 HB2 PHE 36 HB2 PHE 36 -6.429 -10.105 1.241 256 HB3 PHE 36 HB1 PHE 36 -5.983 -10.958 2.706 257 HD1 PHE 36 HD1 PHE 36 -8.423 -11.074 0.623 258 HD2 PHE 36 HD2 PHE 36 -7.978 -9.758 4.641 259 HE1 PHE 36 HE1 PHE 36 -10.812 -11.535 1.042 260 HE2 PHE 36 HE2 PHE 36 -10.335 -10.208 5.078 261 HZ PHE 36 HZ PHE 36 -11.774 -11.114 3.272 262 H HIS 37 HN HIS 37 -6.671 -7.165 4.573 263 HA HIS 37 HA HIS 37 -6.244 -8.977 6.851 264 HB2 HIS 37 HB2 HIS 37 -4.819 -7.467 8.036 265 HB3 HIS 37 HB1 HIS 37 -4.345 -7.262 6.344 266 HD1 HIS 37 HD1 HIS 37 -5.727 -5.403 9.185 267 HD2 HIS 37 HD2 HIS 37 -5.130 -4.846 5.127 268 HE1 HIS 37 HE1 HIS 37 -5.938 -2.910 8.772 269 HE2 HIS 37 HE2 HIS 37 -4.969 -2.728 6.514 270 H VAL 38 HN VAL 38 -8.373 -7.476 5.151 271 HA VAL 38 HA VAL 38 -10.136 -6.713 7.263 272 HB VAL 38 HB VAL 38 -10.703 -4.521 5.972 273 HG11 VAL 38 HG11 VAL 38 -9.675 -4.406 8.176 274 HG12 VAL 38 HG12 VAL 38 -8.969 -3.178 7.107 275 HG13 VAL 38 HG13 VAL 38 -8.083 -4.653 7.456 276 HG21 VAL 38 HG21 VAL 38 -9.365 -4.979 3.949 277 HG22 VAL 38 HG22 VAL 38 -7.908 -4.976 4.933 278 HG23 VAL 38 HG23 VAL 38 -8.815 -3.487 4.735 279 H ALA 39 HN ALA 39 -12.320 -6.388 6.372 280 HA ALA 39 HA ALA 39 -12.847 -8.231 4.296 281 HB1 ALA 39 HB1 ALA 39 -14.710 -6.248 5.625 282 HB2 ALA 39 HB2 ALA 39 -14.434 -7.909 6.151 283 HB3 ALA 39 HB3 ALA 39 -15.205 -7.593 4.597 284 H GLY 40 HN GLY 40 -11.664 -7.443 2.692 285 HA2 GLY 40 HA2 GLY 40 -12.692 -6.248 0.578 286 HA3 GLY 40 HA1 GLY 40 -12.118 -4.872 1.532 287 H ARG 41 HN ARG 41 -10.366 -4.312 0.300 288 HA ARG 41 HA ARG 41 -8.136 -6.163 0.451 289 HB2 ARG 41 HB2 ARG 41 -9.108 -4.907 -2.123 290 HB3 ARG 41 HB1 ARG 41 -7.483 -5.590 -1.883 291 HG2 ARG 41 HG2 ARG 41 -8.272 -7.597 -1.493 292 HG3 ARG 41 HG1 ARG 41 -10.009 -7.192 -1.440 293 HD2 ARG 41 HD2 ARG 41 -9.679 -8.259 -3.522 294 HD3 ARG 41 HD1 ARG 41 -9.500 -6.562 -3.947 295 HE ARG 41 HE ARG 41 -7.113 -6.860 -3.872 296 HH11 ARG 41 HH11 ARG 41 -8.988 -9.871 -3.973 297 HH12 ARG 41 HH12 ARG 41 -7.820 -10.754 -4.833 298 HH21 ARG 41 HH21 ARG 41 -5.516 -8.056 -5.114 299 HH22 ARG 41 HH22 ARG 41 -5.760 -9.683 -5.505 300 H LYS 42 HN LYS 42 -6.402 -5.136 1.250 301 HA LYS 42 HA LYS 42 -6.571 -2.228 1.241 302 HB2 LYS 42 HB2 LYS 42 -6.876 -3.171 3.470 303 HB3 LYS 42 HB1 LYS 42 -5.419 -4.114 3.316 304 HG2 LYS 42 HG2 LYS 42 -5.174 -2.140 4.785 305 HG3 LYS 42 HG1 LYS 42 -4.045 -2.145 3.440 306 HD2 LYS 42 HD2 LYS 42 -5.309 -0.450 2.297 307 HD3 LYS 42 HD1 LYS 42 -6.624 -0.573 3.490 308 HE2 LYS 42 HE2 LYS 42 -5.354 0.351 5.147 309 HE3 LYS 42 HE1 LYS 42 -3.831 0.122 4.297 310 HZ1 LYS 42 HZ1 LYS 42 -4.505 1.868 2.689 311 HZ2 LYS 42 HZ2 LYS 42 -4.432 2.496 4.194 312 HZ3 LYS 42 HZ3 LYS 42 -5.948 2.168 3.515 313 H CYS 43 HN CYS 43 -4.905 -1.105 0.639 314 HA CYS 43 HA CYS 43 -2.767 -2.362 -0.799 315 HB2 CYS 43 HB2 CYS 43 -3.818 -0.500 -1.794 316 HB3 CYS 43 HB1 CYS 43 -3.713 0.441 -0.320 317 H TYR 44 HN TYR 44 -0.696 -2.528 -0.098 318 HA TYR 44 HA TYR 44 0.090 -1.027 2.245 319 HB2 TYR 44 HB2 TYR 44 0.495 -3.918 1.649 320 HB3 TYR 44 HB1 TYR 44 1.641 -3.018 2.630 321 HD1 TYR 44 HD1 TYR 44 1.275 -2.748 4.898 322 HD2 TYR 44 HD2 TYR 44 -1.930 -3.898 2.393 323 HE1 TYR 44 HE1 TYR 44 -0.070 -3.206 6.875 324 HE2 TYR 44 HE2 TYR 44 -3.310 -4.360 4.332 325 HH TYR 44 HH TYR 44 -2.644 -5.056 6.784 326 H CYS 45 HN CYS 45 1.965 -0.195 2.142 327 HA CYS 45 HA CYS 45 3.198 -0.096 -0.449 328 HB2 CYS 45 HB2 CYS 45 3.598 1.586 2.013 329 HB3 CYS 45 HB1 CYS 45 4.165 1.969 0.426 330 H TYR 46 HN TYR 46 5.237 -0.766 -0.767 331 HA TYR 46 HA TYR 46 6.503 -2.052 1.518 332 HB2 TYR 46 HB2 TYR 46 6.551 -2.764 -1.383 333 HB3 TYR 46 HB1 TYR 46 7.761 -3.378 -0.269 334 HD1 TYR 46 HD1 TYR 46 7.376 -5.392 0.728 335 HD2 TYR 46 HD2 TYR 46 4.005 -3.193 -0.660 336 HE1 TYR 46 HE1 TYR 46 5.941 -7.249 1.307 337 HE2 TYR 46 HE2 TYR 46 2.558 -4.983 -0.079 338 HH TYR 46 HH TYR 46 2.712 -7.477 0.219 339 H LYS 47 HN LYS 47 8.463 -1.626 2.066 340 HA LYS 47 HA LYS 47 10.093 -0.031 0.329 341 HB2 LYS 47 HB2 LYS 47 10.624 1.610 2.171 342 HB3 LYS 47 HB1 LYS 47 9.034 1.766 1.453 343 HG2 LYS 47 HG2 LYS 47 8.036 0.683 3.397 344 HG3 LYS 47 HG1 LYS 47 9.636 0.429 4.097 345 HD2 LYS 47 HD2 LYS 47 9.993 2.814 4.265 346 HD3 LYS 47 HD1 LYS 47 8.476 3.137 3.430 347 HE2 LYS 47 HE2 LYS 47 8.240 3.461 5.841 348 HE3 LYS 47 HE1 LYS 47 7.240 2.123 5.284 349 HZ1 LYS 47 HZ1 LYS 47 8.930 0.593 6.067 350 HZ2 LYS 47 HZ2 LYS 47 8.332 1.561 7.311 351 HZ3 LYS 47 HZ3 LYS 47 9.862 1.887 6.652 352 HA PRO 48 HA PRO 48 13.110 -2.733 2.021 353 HB2 PRO 48 HB2 PRO 48 15.337 -1.425 1.215 354 HB3 PRO 48 HB1 PRO 48 14.296 -2.290 0.064 355 HG2 PRO 48 HG2 PRO 48 14.429 0.621 0.630 356 HG3 PRO 48 HG1 PRO 48 14.260 -0.222 -0.924 357 HD2 PRO 48 HD2 PRO 48 12.136 0.890 0.353 358 HD3 PRO 48 HD1 PRO 48 12.017 -0.555 -0.670 359 H CYS 49 HN CYS 49 13.426 -2.857 4.005 360 HA CYS 49 HA CYS 49 14.911 -0.785 5.446 361 HB2 CYS 49 HB2 CYS 49 13.834 -2.053 7.460 362 HB3 CYS 49 HB1 CYS 49 12.843 -0.902 6.570 363 HA PRO 50 HA PRO 50 18.118 -3.805 5.786 364 HB2 PRO 50 HB2 PRO 50 18.164 -3.594 8.746 365 HB3 PRO 50 HB1 PRO 50 19.456 -3.222 7.585 366 HG2 PRO 50 HG2 PRO 50 18.214 -1.275 8.864 367 HG3 PRO 50 HG1 PRO 50 18.685 -1.105 7.159 368 HD2 PRO 50 HD2 PRO 50 15.989 -1.673 8.308 369 HD3 PRO 50 HD1 PRO 50 16.447 -0.603 6.965
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