NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606361 | 2n69 | 25755 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H GLN 1 1.807 0.000 0.855 2 HA GLN 1 HA GLN 1 2.276 -1.026 -1.519 3 HB2 GLN 1 HB2 GLN 1 1.903 0.719 -3.247 4 HB3 GLN 1 HB3 GLN 1 0.410 0.093 -2.559 5 HG2 GLN 1 HG2 GLN 1 0.909 2.226 -0.944 6 HG3 GLN 1 HG3 GLN 1 1.528 2.791 -2.495 7 HE21 GLN 1 HE21 GLN 1 0.116 3.044 -4.223 8 HE22 GLN 1 HE22 GLN 1 -1.598 3.100 -4.010 9 H ASP 2 H ASP 2 3.992 0.191 -2.906 10 HA ASP 2 HA ASP 2 6.061 1.132 -2.994 11 HB2 ASP 2 HB2 ASP 2 5.276 2.988 -0.763 12 HB3 ASP 2 HB3 ASP 2 6.334 3.299 -2.136 13 H LYS 3 H LYS 3 5.605 -1.106 -1.246 14 HA LYS 3 HA LYS 3 7.710 -0.614 0.758 15 HB2 LYS 3 HB2 LYS 3 6.672 -2.332 2.162 16 HB3 LYS 3 HB3 LYS 3 5.551 -1.016 1.837 17 HG2 LYS 3 HG2 LYS 3 4.814 -2.599 -0.141 18 HG3 LYS 3 HG3 LYS 3 5.487 -3.838 0.922 19 HD2 LYS 3 HD2 LYS 3 3.996 -2.346 2.659 20 HD3 LYS 3 HD3 LYS 3 3.033 -2.258 1.182 21 HE2 LYS 3 HE2 LYS 3 2.252 -4.293 1.609 22 HE3 LYS 3 HE3 LYS 3 3.887 -4.931 1.441 23 HZ1 LYS 3 HZ1 LYS 3 2.511 -4.068 3.914 24 HZ2 LYS 3 HZ2 LYS 3 4.188 -4.277 3.847 25 HZ3 LYS 3 HZ3 LYS 3 3.160 -5.588 3.554 26 H CYS 4 H CYS 4 6.955 -2.163 -2.074 27 HA CYS 4 HA CYS 4 9.043 -4.190 -1.616 28 HB2 CYS 4 HB2 CYS 4 7.759 -5.511 -3.434 29 HB3 CYS 4 HB3 CYS 4 7.120 -5.508 -1.793 30 H LYS 5 H LYS 5 10.618 -4.345 -3.126 31 HA LYS 5 HA LYS 5 10.363 -3.377 -5.789 32 HB2 LYS 5 HB2 LYS 5 11.765 -1.457 -5.722 33 HB3 LYS 5 HB3 LYS 5 10.562 -1.240 -4.457 34 HG2 LYS 5 HG2 LYS 5 12.828 -2.573 -3.355 35 HG3 LYS 5 HG3 LYS 5 13.368 -1.141 -4.235 36 HD2 LYS 5 HD2 LYS 5 11.185 -0.192 -2.897 37 HD3 LYS 5 HD3 LYS 5 11.835 -1.362 -1.746 38 HE2 LYS 5 HE2 LYS 5 13.425 0.838 -3.061 39 HE3 LYS 5 HE3 LYS 5 12.740 0.923 -1.440 40 HZ1 LYS 5 HZ1 LYS 5 14.677 -1.151 -2.306 41 HZ2 LYS 5 HZ2 LYS 5 14.131 -0.857 -0.732 42 HZ3 LYS 5 HZ3 LYS 5 15.118 0.276 -1.511 43 H LYS 6 H LYS 6 12.612 -3.302 -6.867 44 HA LYS 6 HA LYS 6 14.546 -5.071 -5.587 45 HB2 LYS 6 HB2 LYS 6 13.127 -5.689 -8.175 46 HB3 LYS 6 HB3 LYS 6 14.660 -6.430 -7.736 47 HG2 LYS 6 HG2 LYS 6 13.535 -7.231 -5.628 48 HG3 LYS 6 HG3 LYS 6 12.011 -6.704 -6.345 49 HD2 LYS 6 HD2 LYS 6 11.968 -8.826 -7.123 50 HD3 LYS 6 HD3 LYS 6 13.007 -8.156 -8.382 51 HE2 LYS 6 HE2 LYS 6 14.954 -8.998 -7.369 52 HE3 LYS 6 HE3 LYS 6 14.127 -9.307 -5.843 53 HZ1 LYS 6 HZ1 LYS 6 13.127 -10.709 -8.196 54 HZ2 LYS 6 HZ2 LYS 6 13.263 -11.241 -6.596 55 HZ3 LYS 6 HZ3 LYS 6 14.628 -11.208 -7.595 56 H VAL 7 H VAL 7 16.383 -3.970 -5.716 57 HA VAL 7 HA VAL 7 16.866 -1.956 -7.673 58 HB VAL 7 HB VAL 7 18.717 -3.251 -5.670 59 HG11 VAL 7 HG11 VAL 7 20.286 -2.437 -7.101 60 HG12 VAL 7 HG12 VAL 7 19.201 -1.220 -7.777 61 HG13 VAL 7 HG13 VAL 7 19.951 -0.958 -6.202 62 HG21 VAL 7 HG21 VAL 7 18.062 -1.697 -4.185 63 HG22 VAL 7 HG22 VAL 7 17.961 -0.427 -5.404 64 HG23 VAL 7 HG23 VAL 7 16.632 -1.569 -5.209 65 H TYR 8 H TYR 8 18.133 -1.982 -9.478 66 HA TYR 8 HA TYR 8 19.114 -4.623 -10.339 67 HB2 TYR 8 HB2 TYR 8 17.198 -3.507 -11.628 68 HB3 TYR 8 HB3 TYR 8 18.404 -2.358 -12.196 69 HD1 TYR 8 HD1 TYR 8 18.828 -6.010 -11.653 70 HD2 TYR 8 HD2 TYR 8 18.531 -2.849 -14.486 71 HE1 TYR 8 HE1 TYR 8 19.460 -7.568 -13.448 72 HE2 TYR 8 HE2 TYR 8 19.161 -4.399 -16.289 73 HH TYR 8 HH TYR 8 20.623 -7.196 -15.882 74 H GLU 9 H GLU 9 21.141 -4.227 -9.291 75 HA GLU 9 HA GLU 9 22.792 -2.022 -9.732 76 HB2 GLU 9 HB2 GLU 9 23.707 -4.869 -9.299 77 HB3 GLU 9 HB3 GLU 9 24.615 -3.404 -8.951 78 HG2 GLU 9 HG2 GLU 9 22.943 -2.801 -7.250 79 HG3 GLU 9 HG3 GLU 9 22.101 -4.315 -7.570 80 H ASN 10 H ASN 10 21.906 -4.564 -11.839 81 HA ASN 10 HA ASN 10 24.215 -4.252 -13.572 82 HB2 ASN 10 HB2 ASN 10 21.799 -6.030 -13.564 83 HB3 ASN 10 HB3 ASN 10 22.744 -5.845 -15.038 84 HD21 ASN 10 HD21 ASN 10 23.278 -6.385 -11.570 85 HD22 ASN 10 HD22 ASN 10 24.488 -7.601 -11.774 86 H TYR 11 H TYR 11 23.050 -1.837 -13.336 87 HA TYR 11 HA TYR 11 22.106 -1.357 -16.043 88 HB2 TYR 11 HB2 TYR 11 20.206 -1.619 -14.112 89 HB3 TYR 11 HB3 TYR 11 20.532 0.109 -14.024 90 HD1 TYR 11 HD2 TYR 11 19.838 -2.549 -16.557 91 HD2 TYR 11 HD1 TYR 11 19.354 1.523 -15.422 92 HE1 TYR 11 HE2 TYR 11 18.389 -2.183 -18.510 93 HE2 TYR 11 HE1 TYR 11 17.903 1.900 -17.372 94 HH TYR 11 HH TYR 11 17.688 -0.227 -19.942 95 HA PRO 12 HA PRO 12 24.787 2.109 -15.584 96 HB2 PRO 12 HB2 PRO 12 23.918 3.575 -17.697 97 HB3 PRO 12 HB3 PRO 12 24.907 2.120 -17.878 98 HG2 PRO 12 HG2 PRO 12 21.944 2.444 -18.162 99 HG3 PRO 12 HG3 PRO 12 23.072 1.528 -19.178 100 HD2 PRO 12 HD2 PRO 12 21.510 0.350 -17.306 101 HD3 PRO 12 HD3 PRO 12 23.124 -0.261 -17.725 102 H VAL 13 H VAL 13 24.592 3.640 -14.085 103 HA VAL 13 HA VAL 13 22.154 4.706 -13.189 104 HB VAL 13 HB VAL 13 23.418 6.166 -11.796 105 HG11 VAL 13 HG11 VAL 13 23.591 3.625 -11.485 106 HG12 VAL 13 HG12 VAL 13 25.241 3.801 -12.086 107 HG13 VAL 13 HG13 VAL 13 24.741 4.643 -10.619 108 HG21 VAL 13 HG21 VAL 13 25.947 6.325 -12.172 109 HG22 VAL 13 HG22 VAL 13 25.610 5.748 -13.805 110 HG23 VAL 13 HG23 VAL 13 24.900 7.261 -13.239 111 H SER 14 H SER 14 24.123 5.541 -15.857 112 HA SER 14 HA SER 14 23.495 8.288 -16.086 113 HB2 SER 14 HB2 SER 14 24.972 6.351 -17.571 114 HB3 SER 14 HB3 SER 14 23.869 7.166 -18.681 115 HG SER 14 HG SER 14 24.746 9.145 -17.475 116 H LYS 15 H LYS 15 22.134 5.442 -17.744 117 HA LYS 15 HA LYS 15 20.132 6.790 -19.153 118 HB2 LYS 15 HB2 LYS 15 20.756 4.012 -18.460 119 HB3 LYS 15 HB3 LYS 15 19.034 4.314 -18.654 120 HG2 LYS 15 HG2 LYS 15 19.693 5.443 -20.867 121 HG3 LYS 15 HG3 LYS 15 21.233 4.603 -20.664 122 HD2 LYS 15 HD2 LYS 15 19.121 2.756 -20.172 123 HD3 LYS 15 HD3 LYS 15 18.792 3.590 -21.692 124 HE2 LYS 15 HE2 LYS 15 21.345 2.160 -20.956 125 HE3 LYS 15 HE3 LYS 15 20.109 1.573 -22.067 126 HZ1 LYS 15 HZ1 LYS 15 22.253 3.377 -22.555 127 HZ2 LYS 15 HZ2 LYS 15 20.773 4.075 -22.982 128 HZ3 LYS 15 HZ3 LYS 15 21.238 2.597 -23.661 129 H CYS 16 H CYS 16 20.371 5.984 -15.820 130 HA CYS 16 HA CYS 16 17.578 6.012 -15.224 131 HB2 CYS 16 HB2 CYS 16 20.109 5.959 -13.667 132 HB3 CYS 16 HB3 CYS 16 18.676 6.561 -12.839 133 H GLN 17 H GLN 17 20.196 8.374 -14.713 134 HA GLN 17 HA GLN 17 18.534 10.423 -13.722 135 HB2 GLN 17 HB2 GLN 17 21.237 10.558 -15.065 136 HB3 GLN 17 HB3 GLN 17 20.457 11.924 -14.279 137 HG2 GLN 17 HG2 GLN 17 21.335 11.307 -12.352 138 HG3 GLN 17 HG3 GLN 17 20.449 9.786 -12.438 139 HE21 GLN 17 HE21 GLN 17 22.139 8.699 -11.406 140 HE22 GLN 17 HE22 GLN 17 23.606 8.306 -12.230 141 H LEU 18 H LEU 18 18.920 9.180 -16.851 142 HA LEU 18 HA LEU 18 18.455 11.521 -18.379 143 HB2 LEU 18 HB2 LEU 18 18.514 8.621 -18.843 144 HB3 LEU 18 HB3 LEU 18 17.464 9.525 -19.932 145 HG LEU 18 HG LEU 18 20.339 10.292 -19.519 146 HD11 LEU 18 HD11 LEU 18 19.328 7.909 -20.785 147 HD12 LEU 18 HD12 LEU 18 20.994 8.415 -20.506 148 HD13 LEU 18 HD13 LEU 18 20.140 8.952 -21.952 149 HD21 LEU 18 HD21 LEU 18 18.560 11.784 -20.631 150 HD22 LEU 18 HD22 LEU 18 18.653 10.643 -21.973 151 HD23 LEU 18 HD23 LEU 18 20.091 11.534 -21.471 152 H ARG 19 H ARG 19 16.738 12.607 -17.348 153 HA ARG 19 HA ARG 19 14.210 11.453 -16.851 154 HB2 ARG 19 HB2 ARG 19 15.445 14.009 -16.555 155 HB3 ARG 19 HB3 ARG 19 13.905 14.233 -17.373 156 HG2 ARG 19 HG2 ARG 19 13.861 12.453 -15.028 157 HG3 ARG 19 HG3 ARG 19 14.189 14.157 -14.705 158 HD2 ARG 19 HD2 ARG 19 11.949 14.341 -14.687 159 HD3 ARG 19 HD3 ARG 19 12.121 14.354 -16.442 160 HE ARG 19 HE ARG 19 11.932 11.697 -15.647 161 HH11 ARG 19 HH11 ARG 19 9.966 14.570 -15.620 162 HH12 ARG 19 HH12 ARG 19 8.469 13.704 -15.725 163 HH21 ARG 19 HH21 ARG 19 9.968 10.546 -15.786 164 HH22 ARG 19 HH22 ARG 19 8.471 11.415 -15.819 165 H ILE 20 H ILE 20 15.702 12.668 -19.715 166 HA ILE 20 HA ILE 20 13.253 13.090 -21.166 167 HB ILE 20 HB ILE 20 15.993 12.760 -22.372 168 HG12 ILE 20 HG12 ILE 20 14.747 15.263 -21.215 169 HG13 ILE 20 HG13 ILE 20 16.141 14.408 -20.565 170 HG21 ILE 20 HG21 ILE 20 13.669 14.443 -23.282 171 HG22 ILE 20 HG22 ILE 20 15.138 14.057 -24.175 172 HG23 ILE 20 HG23 ILE 20 13.955 12.794 -23.836 173 HD11 ILE 20 HD11 ILE 20 16.650 15.023 -23.292 174 HD12 ILE 20 HD12 ILE 20 16.090 16.480 -22.471 175 HD13 ILE 20 HD13 ILE 20 17.484 15.597 -21.848 176 H ALA 21 H ALA 21 15.517 10.478 -20.693 177 HA ALA 21 HA ALA 21 13.707 8.688 -22.120 178 HB1 ALA 21 HB1 ALA 21 15.538 9.487 -23.687 179 HB2 ALA 21 HB2 ALA 21 16.656 8.563 -22.683 180 HB3 ALA 21 HB3 ALA 21 15.341 7.742 -23.524 181 H ASN 22 H ASN 22 13.240 8.041 -19.930 182 HA ASN 22 HA ASN 22 15.353 6.781 -18.398 183 HB2 ASN 22 HB2 ASN 22 13.223 8.118 -17.557 184 HB3 ASN 22 HB3 ASN 22 12.474 6.526 -17.646 185 HD21 ASN 22 HD21 ASN 22 12.211 6.342 -15.448 186 HD22 ASN 22 HD22 ASN 22 13.535 6.109 -14.363 187 H GLN 23 H GLN 23 15.946 5.082 -19.810 188 HA GLN 23 HA GLN 23 14.061 3.145 -20.721 189 HB2 GLN 23 HB2 GLN 23 16.973 3.546 -20.859 190 HB3 GLN 23 HB3 GLN 23 16.466 1.862 -20.851 191 HG2 GLN 23 HG2 GLN 23 16.747 3.112 -23.099 192 HG3 GLN 23 HG3 GLN 23 15.368 2.039 -22.861 193 HE21 GLN 23 HE21 GLN 23 13.395 2.827 -23.167 194 HE22 GLN 23 HE22 GLN 23 13.004 4.496 -23.382 195 H CYS 24 H CYS 24 15.249 3.776 -17.699 196 HA CYS 24 HA CYS 24 15.775 1.195 -16.682 197 HB2 CYS 24 HB2 CYS 24 16.542 3.001 -15.374 198 HB3 CYS 24 HB3 CYS 24 14.973 3.799 -15.402 199 H ASN 25 H ASN 25 12.892 3.235 -16.154 200 HA ASN 25 HA ASN 25 11.299 1.277 -14.997 201 HB2 ASN 25 HB2 ASN 25 9.454 2.727 -15.359 202 HB3 ASN 25 HB3 ASN 25 10.850 3.777 -15.142 203 HD21 ASN 25 HD21 ASN 25 11.354 5.187 -16.695 204 HD22 ASN 25 HD22 ASN 25 10.575 5.284 -18.234 205 H TYR 26 H TYR 26 11.806 2.065 -18.395 206 HA TYR 26 HA TYR 26 9.788 0.323 -19.394 207 HB2 TYR 26 HB2 TYR 26 11.346 2.307 -20.478 208 HB3 TYR 26 HB3 TYR 26 12.050 0.858 -21.187 209 HD1 TYR 26 HD2 TYR 26 9.682 -0.858 -21.519 210 HD2 TYR 26 HD1 TYR 26 10.160 3.313 -22.211 211 HE1 TYR 26 HE2 TYR 26 7.868 -0.931 -23.179 212 HE2 TYR 26 HE1 TYR 26 8.347 3.251 -23.872 213 HH TYR 26 HH TYR 26 7.338 1.314 -25.424 214 H ASP 27 H ASP 27 13.198 -0.027 -18.653 215 HA ASP 27 HA ASP 27 13.535 -2.554 -19.921 216 HB2 ASP 27 HB2 ASP 27 15.535 -1.388 -19.566 217 HB3 ASP 27 HB3 ASP 27 15.116 -0.990 -17.902 218 H CYS 28 H CYS 28 12.862 -1.550 -16.590 219 HA CYS 28 HA CYS 28 13.010 -3.989 -15.307 220 HB2 CYS 28 HB2 CYS 28 11.303 -1.560 -14.847 221 HB3 CYS 28 HB3 CYS 28 11.125 -2.984 -13.827 222 H LYS 29 H LYS 29 10.036 -2.513 -16.616 223 HA LYS 29 HA LYS 29 8.426 -4.790 -16.257 224 HB2 LYS 29 HB2 LYS 29 8.049 -2.627 -18.332 225 HB3 LYS 29 HB3 LYS 29 6.808 -3.678 -17.661 226 HG2 LYS 29 HG2 LYS 29 6.729 -2.538 -15.665 227 HG3 LYS 29 HG3 LYS 29 8.367 -1.904 -15.840 228 HD2 LYS 29 HD2 LYS 29 6.972 -0.054 -16.206 229 HD3 LYS 29 HD3 LYS 29 7.450 -0.576 -17.823 230 HE2 LYS 29 HE2 LYS 29 5.359 -1.301 -18.353 231 HE3 LYS 29 HE3 LYS 29 4.975 -1.752 -16.693 232 HZ1 LYS 29 HZ1 LYS 29 3.962 0.383 -17.909 233 HZ2 LYS 29 HZ2 LYS 29 5.317 1.088 -17.185 234 HZ3 LYS 29 HZ3 LYS 29 4.174 0.283 -16.233 235 H LEU 30 H LEU 30 10.618 -3.851 -18.795 236 HA LEU 30 HA LEU 30 9.723 -5.436 -20.895 237 HB2 LEU 30 HB2 LEU 30 11.978 -3.872 -20.317 238 HB3 LEU 30 HB3 LEU 30 12.594 -5.463 -20.757 239 HG LEU 30 HG LEU 30 10.657 -4.788 -22.690 240 HD11 LEU 30 HD11 LEU 30 10.671 -2.509 -22.325 241 HD12 LEU 30 HD12 LEU 30 11.928 -2.695 -23.547 242 HD13 LEU 30 HD13 LEU 30 12.370 -2.487 -21.852 243 HD21 LEU 30 HD21 LEU 30 12.618 -6.172 -23.060 244 HD22 LEU 30 HD22 LEU 30 13.672 -4.784 -22.792 245 HD23 LEU 30 HD23 LEU 30 12.599 -4.819 -24.192 246 H ASP 31 H ASP 31 12.111 -6.255 -18.382 247 HA ASP 31 HA ASP 31 11.757 -9.092 -19.079 248 HB2 ASP 31 HB2 ASP 31 14.071 -7.486 -18.288 249 HB3 ASP 31 HB3 ASP 31 13.920 -8.981 -17.369 250 H LYS 32 H LYS 32 12.683 -7.315 -16.131 251 HA LYS 32 HA LYS 32 11.813 -9.147 -14.279 252 HB2 LYS 32 HB2 LYS 32 11.583 -6.155 -13.933 253 HB3 LYS 32 HB3 LYS 32 11.782 -7.358 -12.666 254 HG2 LYS 32 HG2 LYS 32 13.966 -7.831 -14.224 255 HG3 LYS 32 HG3 LYS 32 13.775 -6.083 -14.382 256 HD2 LYS 32 HD2 LYS 32 13.693 -5.916 -11.910 257 HD3 LYS 32 HD3 LYS 32 14.006 -7.651 -11.812 258 HE2 LYS 32 HE2 LYS 32 16.141 -7.354 -12.924 259 HE3 LYS 32 HE3 LYS 32 15.821 -5.633 -13.132 260 HZ1 LYS 32 HZ1 LYS 32 17.140 -6.763 -11.043 261 HZ2 LYS 32 HZ2 LYS 32 15.598 -6.486 -10.405 262 HZ3 LYS 32 HZ3 LYS 32 16.483 -5.204 -11.065 263 H HIS 33 H HIS 33 9.923 -6.885 -16.143 264 HA HIS 33 HA HIS 33 7.679 -6.669 -16.458 265 HB2 HIS 33 HB2 HIS 33 7.983 -9.304 -16.250 266 HB3 HIS 33 HB3 HIS 33 7.053 -9.050 -14.776 267 HD1 HIS 33 HD1 HIS 33 5.480 -10.675 -16.481 268 HD2 HIS 33 HD2 HIS 33 5.669 -6.585 -17.187 269 HE1 HIS 33 HE1 HIS 33 3.453 -10.138 -17.868 270 H ALA 34 H ALA 34 9.026 -5.502 -14.154 271 HA ALA 34 HA ALA 34 7.551 -5.670 -11.792 272 HB1 ALA 34 HB1 ALA 34 9.281 -3.546 -12.990 273 HB2 ALA 34 HB2 ALA 34 8.400 -3.238 -11.494 274 HB3 ALA 34 HB3 ALA 34 9.567 -4.557 -11.574 275 H ARG 35 H ARG 35 6.522 -3.363 -11.013 276 HA ARG 35 HA ARG 35 4.026 -3.245 -12.412 277 HB2 ARG 35 HB2 ARG 35 4.978 -1.431 -10.193 278 HB3 ARG 35 HB3 ARG 35 3.316 -1.744 -10.673 279 HG2 ARG 35 HG2 ARG 35 3.426 -3.985 -9.856 280 HG3 ARG 35 HG3 ARG 35 5.162 -3.846 -9.567 281 HD2 ARG 35 HD2 ARG 35 4.020 -3.617 -7.471 282 HD3 ARG 35 HD3 ARG 35 4.684 -2.047 -7.921 283 HE ARG 35 HE ARG 35 1.950 -2.448 -8.730 284 HH11 ARG 35 HH11 ARG 35 4.073 -1.371 -6.191 285 HH12 ARG 35 HH12 ARG 35 2.882 -0.358 -5.446 286 HH21 ARG 35 HH21 ARG 35 0.372 -1.118 -7.759 287 HH22 ARG 35 HH22 ARG 35 0.776 -0.216 -6.338 288 H SER 36 H SER 36 6.488 -0.772 -11.662 289 HA SER 36 HA SER 36 5.809 0.553 -14.195 290 HB2 SER 36 HB2 SER 36 5.646 1.663 -11.456 291 HB3 SER 36 HB3 SER 36 6.408 2.702 -12.660 292 HG SER 36 HG SER 36 4.430 3.170 -13.186 293 H GLY 37 H GLY 37 8.104 0.535 -11.467 294 HA2 GLY 37 HA2 GLY 37 10.421 0.242 -11.603 295 HA3 GLY 37 HA3 GLY 37 10.316 0.398 -13.350 296 H GLU 38 H GLU 38 11.853 1.739 -10.982 297 HA GLU 38 HA GLU 38 11.981 4.325 -12.255 298 HB2 GLU 38 HB2 GLU 38 10.826 3.957 -9.513 299 HB3 GLU 38 HB3 GLU 38 11.723 5.419 -9.897 300 HG2 GLU 38 HG2 GLU 38 10.157 5.672 -11.881 301 HG3 GLU 38 HG3 GLU 38 9.171 4.426 -11.118 302 H CYS 39 H CYS 39 13.693 5.707 -11.234 303 HA CYS 39 HA CYS 39 15.846 3.990 -10.188 304 HB2 CYS 39 HB2 CYS 39 16.030 6.534 -11.816 305 HB3 CYS 39 HB3 CYS 39 17.408 5.643 -11.179 306 H PHE 40 H PHE 40 16.942 4.577 -8.377 307 HA PHE 40 HA PHE 40 16.574 7.206 -7.213 308 HB2 PHE 40 HB2 PHE 40 15.680 4.714 -5.749 309 HB3 PHE 40 HB3 PHE 40 15.760 6.331 -5.059 310 HD1 PHE 40 HD2 PHE 40 14.274 8.126 -6.014 311 HD2 PHE 40 HD1 PHE 40 13.803 4.000 -6.948 312 HE1 PHE 40 HE2 PHE 40 11.975 8.564 -6.773 313 HE2 PHE 40 HE1 PHE 40 11.503 4.432 -7.710 314 HZ PHE 40 HZ PHE 40 10.586 6.716 -7.622 315 H TYR 41 H TYR 41 17.975 7.577 -5.360 316 HA TYR 41 HA TYR 41 20.526 6.313 -5.726 317 HB2 TYR 41 HB2 TYR 41 19.564 8.441 -3.809 318 HB3 TYR 41 HB3 TYR 41 21.227 7.868 -3.868 319 HD1 TYR 41 HD1 TYR 41 18.652 9.813 -5.598 320 HD2 TYR 41 HD2 TYR 41 22.676 8.439 -5.732 321 HE1 TYR 41 HE1 TYR 41 19.140 11.437 -7.378 322 HE2 TYR 41 HE2 TYR 41 23.176 10.061 -7.513 323 HH TYR 41 HH TYR 41 20.831 12.474 -8.512 324 H ASP 42 H ASP 42 21.759 5.270 -4.076 325 HA ASP 42 HA ASP 42 20.072 3.778 -2.185 326 HB2 ASP 42 HB2 ASP 42 21.454 1.946 -2.435 327 HB3 ASP 42 HB3 ASP 42 21.573 2.666 -4.039 328 H GLU 43 H GLU 43 21.877 2.826 -0.420 329 HA GLU 43 HA GLU 43 22.163 4.846 1.443 330 HB2 GLU 43 HB2 GLU 43 23.918 2.394 1.246 331 HB3 GLU 43 HB3 GLU 43 23.583 3.336 2.692 332 HG2 GLU 43 HG2 GLU 43 21.085 2.574 1.704 333 HG3 GLU 43 HG3 GLU 43 22.113 1.150 1.552 334 H LYS 44 H LYS 44 24.475 3.703 -0.965 335 HA LYS 44 HA LYS 44 26.484 5.607 -0.070 336 HB2 LYS 44 HB2 LYS 44 26.415 3.340 -2.012 337 HB3 LYS 44 HB3 LYS 44 27.632 4.591 -2.231 338 HG2 LYS 44 HG2 LYS 44 27.712 3.927 0.486 339 HG3 LYS 44 HG3 LYS 44 27.585 2.397 -0.386 340 HD2 LYS 44 HD2 LYS 44 29.480 3.107 -1.816 341 HD3 LYS 44 HD3 LYS 44 29.636 4.566 -0.834 342 HE2 LYS 44 HE2 LYS 44 29.595 2.029 0.660 343 HE3 LYS 44 HE3 LYS 44 30.995 2.267 -0.384 344 HZ1 LYS 44 HZ1 LYS 44 31.059 4.579 0.741 345 HZ2 LYS 44 HZ2 LYS 44 31.671 3.238 1.569 346 HZ3 LYS 44 HZ3 LYS 44 30.136 3.838 1.950 347 H ARG 45 H ARG 45 23.930 6.547 -1.176 348 HA ARG 45 HA ARG 45 23.101 8.059 -2.668 349 HB2 ARG 45 HB2 ARG 45 25.978 8.975 -2.805 350 HB3 ARG 45 HB3 ARG 45 24.551 9.931 -3.179 351 HG2 ARG 45 HG2 ARG 45 24.466 8.816 -0.500 352 HG3 ARG 45 HG3 ARG 45 25.873 9.846 -0.768 353 HD2 ARG 45 HD2 ARG 45 24.511 11.688 -1.392 354 HD3 ARG 45 HD3 ARG 45 23.071 10.675 -1.486 355 HE ARG 45 HE ARG 45 23.849 10.426 1.097 356 HH11 ARG 45 HH11 ARG 45 23.219 13.153 -0.972 357 HH12 ARG 45 HH12 ARG 45 22.690 14.178 0.321 358 HH21 ARG 45 HH21 ARG 45 23.154 11.765 2.808 359 HH22 ARG 45 HH22 ARG 45 22.654 13.387 2.471 360 H ASN 46 H ASN 46 23.613 5.608 -3.842 361 HA ASN 46 HA ASN 46 24.704 6.329 -6.481 362 HB2 ASN 46 HB2 ASN 46 24.335 3.562 -5.313 363 HB3 ASN 46 HB3 ASN 46 25.110 3.957 -6.844 364 HD21 ASN 46 HD21 ASN 46 26.115 2.581 -4.438 365 HD22 ASN 46 HD22 ASN 46 27.535 3.447 -3.973 366 H LEU 47 H LEU 47 23.222 6.717 -7.976 367 HA LEU 47 HA LEU 47 20.479 5.986 -7.635 368 HB2 LEU 47 HB2 LEU 47 21.946 7.812 -9.198 369 HB3 LEU 47 HB3 LEU 47 21.087 6.765 -10.326 370 HG LEU 47 HG LEU 47 19.757 8.286 -8.087 371 HD11 LEU 47 HD11 LEU 47 20.918 9.523 -10.143 372 HD12 LEU 47 HD12 LEU 47 19.387 10.056 -9.450 373 HD13 LEU 47 HD13 LEU 47 19.397 9.075 -10.915 374 HD21 LEU 47 HD21 LEU 47 18.387 7.261 -10.525 375 HD22 LEU 47 HD22 LEU 47 17.751 7.537 -8.903 376 HD23 LEU 47 HD23 LEU 47 18.771 6.133 -9.224 377 H GLN 48 H GLN 48 19.733 4.007 -7.973 378 HA GLN 48 HA GLN 48 20.833 2.461 -10.228 379 HB2 GLN 48 HB2 GLN 48 20.075 1.584 -7.458 380 HB3 GLN 48 HB3 GLN 48 20.058 0.441 -8.795 381 HG2 GLN 48 HG2 GLN 48 22.341 0.502 -9.057 382 HG3 GLN 48 HG3 GLN 48 22.490 2.091 -8.309 383 HE21 GLN 48 HE21 GLN 48 21.276 1.844 -5.951 384 HE22 GLN 48 HE22 GLN 48 22.042 0.641 -4.975 385 H CYS 49 H CYS 49 19.313 0.819 -11.099 386 HA CYS 49 HA CYS 49 16.720 2.033 -11.498 387 HB2 CYS 49 HB2 CYS 49 18.040 1.055 -13.375 388 HB3 CYS 49 HB3 CYS 49 17.819 -0.537 -12.655 389 H ILE 50 H ILE 50 15.680 1.771 -9.511 390 HA ILE 50 HA ILE 50 15.345 -0.889 -8.408 391 HB ILE 50 HB ILE 50 14.331 1.815 -7.550 392 HG12 ILE 50 HG12 ILE 50 15.822 0.294 -5.603 393 HG13 ILE 50 HG13 ILE 50 16.730 0.410 -7.106 394 HG21 ILE 50 HG21 ILE 50 13.512 0.604 -5.502 395 HG22 ILE 50 HG22 ILE 50 12.580 0.325 -6.972 396 HG23 ILE 50 HG23 ILE 50 13.717 -0.897 -6.403 397 HD11 ILE 50 HD11 ILE 50 15.806 2.973 -6.721 398 HD12 ILE 50 HD12 ILE 50 16.200 2.421 -5.093 399 HD13 ILE 50 HD13 ILE 50 17.426 2.378 -6.359 400 H CYS 51 H CYS 51 13.845 -2.236 -9.125 401 HA CYS 51 HA CYS 51 11.541 -1.197 -10.586 402 HB2 CYS 51 HB2 CYS 51 12.289 -4.093 -10.184 403 HB3 CYS 51 HB3 CYS 51 11.232 -3.413 -11.417 404 H ASP 52 H ASP 52 9.406 -2.222 -10.193 405 HA ASP 52 HA ASP 52 8.969 -2.536 -7.301 406 HB2 ASP 52 HB2 ASP 52 7.801 -0.753 -9.001 407 HB3 ASP 52 HB3 ASP 52 6.626 -2.066 -9.026 408 H TYR 53 H TYR 53 8.434 -4.475 -6.567 409 HA TYR 53 HA TYR 53 7.193 -6.390 -8.433 410 HB2 TYR 53 HB2 TYR 53 9.516 -6.661 -6.638 411 HB3 TYR 53 HB3 TYR 53 8.371 -7.996 -6.572 412 HD1 TYR 53 HD2 TYR 53 10.794 -6.209 -8.656 413 HD2 TYR 53 HD1 TYR 53 8.032 -9.442 -8.495 414 HE1 TYR 53 HE2 TYR 53 11.785 -7.149 -10.700 415 HE2 TYR 53 HE1 TYR 53 9.017 -10.392 -10.539 416 HH TYR 53 HH TYR 53 10.946 -10.314 -11.862 417 H CYS 54 H CYS 54 5.117 -6.545 -7.889 418 HA CYS 54 HA CYS 54 4.333 -7.599 -5.376 419 HB2 CYS 54 HB2 CYS 54 4.319 -4.695 -5.682 420 HB3 CYS 54 HB3 CYS 54 2.737 -5.340 -5.256 421 H GLU 55 H GLU 55 3.116 -5.594 -8.058 422 HA GLU 55 HA GLU 55 0.833 -7.437 -8.292 423 HB2 GLU 55 HB2 GLU 55 1.057 -4.644 -9.420 424 HB3 GLU 55 HB3 GLU 55 -0.381 -5.653 -9.367 425 HG2 GLU 55 HG2 GLU 55 -0.358 -5.542 -6.919 426 HG3 GLU 55 HG3 GLU 55 1.062 -4.500 -6.991 427 H TYR 56 H TYR 56 -0.009 -6.888 -10.825 428 HA TYR 56 HA TYR 56 2.030 -8.236 -12.399 429 HB2 TYR 56 HB2 TYR 56 -0.323 -9.040 -12.403 430 HB3 TYR 56 HB3 TYR 56 -0.813 -7.523 -13.148 431 HD1 TYR 56 HD2 TYR 56 1.739 -10.199 -13.728 432 HD2 TYR 56 HD1 TYR 56 -1.154 -7.580 -15.422 433 HE1 TYR 56 HE2 TYR 56 2.184 -11.154 -15.951 434 HE2 TYR 56 HE1 TYR 56 -0.718 -8.528 -17.649 435 HH TYR 56 HH TYR 56 0.361 -10.095 -18.804 Start of MODEL 2 1 H1 GLN 1 H GLN 1 2.175 3.420 -2.142 2 HA GLN 1 HA GLN 1 2.961 2.484 -0.223 3 HB2 GLN 1 HB2 GLN 1 1.960 0.384 -1.841 4 HB3 GLN 1 HB3 GLN 1 3.432 -0.208 -1.082 5 HG2 GLN 1 HG2 GLN 1 2.547 -0.160 1.003 6 HG3 GLN 1 HG3 GLN 1 1.501 1.213 0.649 7 HE21 GLN 1 HE21 GLN 1 0.013 -0.224 1.897 8 HE22 GLN 1 HE22 GLN 1 -0.922 -1.366 1.000 9 H ASP 2 H ASP 2 4.690 1.011 -2.970 10 HA ASP 2 HA ASP 2 6.905 0.698 -3.383 11 HB2 ASP 2 HB2 ASP 2 7.352 2.931 -1.396 12 HB3 ASP 2 HB3 ASP 2 8.448 2.412 -2.674 13 H LYS 3 H LYS 3 5.602 -0.755 -1.205 14 HA LYS 3 HA LYS 3 7.556 -1.044 0.891 15 HB2 LYS 3 HB2 LYS 3 5.272 -1.398 1.497 16 HB3 LYS 3 HB3 LYS 3 5.040 -2.558 0.195 17 HG2 LYS 3 HG2 LYS 3 5.839 -4.257 1.406 18 HG3 LYS 3 HG3 LYS 3 7.160 -3.291 2.069 19 HD2 LYS 3 HD2 LYS 3 5.063 -2.168 3.339 20 HD3 LYS 3 HD3 LYS 3 4.463 -3.816 3.145 21 HE2 LYS 3 HE2 LYS 3 5.640 -4.339 4.963 22 HE3 LYS 3 HE3 LYS 3 7.088 -4.141 3.977 23 HZ1 LYS 3 HZ1 LYS 3 7.512 -2.728 5.709 24 HZ2 LYS 3 HZ2 LYS 3 5.893 -2.284 5.913 25 HZ3 LYS 3 HZ3 LYS 3 6.786 -1.656 4.621 26 H CYS 4 H CYS 4 6.956 -2.455 -2.195 27 HA CYS 4 HA CYS 4 9.131 -4.378 -1.710 28 HB2 CYS 4 HB2 CYS 4 7.832 -5.745 -3.554 29 HB3 CYS 4 HB3 CYS 4 7.382 -5.872 -1.857 30 H LYS 5 H LYS 5 10.695 -4.471 -3.233 31 HA LYS 5 HA LYS 5 10.347 -3.609 -5.922 32 HB2 LYS 5 HB2 LYS 5 11.645 -1.606 -5.929 33 HB3 LYS 5 HB3 LYS 5 10.410 -1.417 -4.692 34 HG2 LYS 5 HG2 LYS 5 12.741 -2.556 -3.507 35 HG3 LYS 5 HG3 LYS 5 13.198 -1.125 -4.434 36 HD2 LYS 5 HD2 LYS 5 10.933 -0.279 -3.161 37 HD3 LYS 5 HD3 LYS 5 11.647 -1.355 -1.958 38 HE2 LYS 5 HE2 LYS 5 13.841 -0.012 -2.677 39 HE3 LYS 5 HE3 LYS 5 12.635 1.221 -3.039 40 HZ1 LYS 5 HZ1 LYS 5 11.825 1.061 -0.779 41 HZ2 LYS 5 HZ2 LYS 5 13.480 1.409 -0.775 42 HZ3 LYS 5 HZ3 LYS 5 12.945 -0.157 -0.426 43 H LYS 6 H LYS 6 12.572 -3.423 -7.032 44 HA LYS 6 HA LYS 6 14.609 -5.058 -5.722 45 HB2 LYS 6 HB2 LYS 6 13.262 -5.734 -8.334 46 HB3 LYS 6 HB3 LYS 6 14.828 -6.392 -7.878 47 HG2 LYS 6 HG2 LYS 6 13.724 -7.275 -5.795 48 HG3 LYS 6 HG3 LYS 6 12.181 -6.823 -6.523 49 HD2 LYS 6 HD2 LYS 6 13.059 -8.200 -8.558 50 HD3 LYS 6 HD3 LYS 6 14.133 -8.927 -7.362 51 HE2 LYS 6 HE2 LYS 6 11.307 -8.738 -6.566 52 HE3 LYS 6 HE3 LYS 6 11.633 -9.814 -7.924 53 HZ1 LYS 6 HZ1 LYS 6 13.304 -10.935 -6.550 54 HZ2 LYS 6 HZ2 LYS 6 11.761 -11.023 -5.864 55 HZ3 LYS 6 HZ3 LYS 6 12.902 -9.940 -5.242 56 H VAL 7 H VAL 7 16.381 -3.852 -5.817 57 HA VAL 7 HA VAL 7 16.770 -1.820 -7.792 58 HB VAL 7 HB VAL 7 17.631 -1.685 -5.442 59 HG11 VAL 7 HG11 VAL 7 18.685 -4.166 -5.963 60 HG12 VAL 7 HG12 VAL 7 20.098 -3.113 -6.055 61 HG13 VAL 7 HG13 VAL 7 19.106 -3.135 -4.596 62 HG21 VAL 7 HG21 VAL 7 19.128 -0.162 -6.123 63 HG22 VAL 7 HG22 VAL 7 20.083 -1.355 -7.005 64 HG23 VAL 7 HG23 VAL 7 18.654 -0.641 -7.753 65 H TYR 8 H TYR 8 18.200 -1.757 -9.496 66 HA TYR 8 HA TYR 8 19.328 -4.357 -10.301 67 HB2 TYR 8 HB2 TYR 8 17.454 -3.160 -11.687 68 HB3 TYR 8 HB3 TYR 8 18.781 -2.152 -12.257 69 HD1 TYR 8 HD1 TYR 8 18.747 -5.800 -11.502 70 HD2 TYR 8 HD2 TYR 8 19.092 -2.780 -14.479 71 HE1 TYR 8 HE1 TYR 8 19.327 -7.516 -13.166 72 HE2 TYR 8 HE2 TYR 8 19.671 -4.487 -16.152 73 HH TYR 8 HH TYR 8 19.285 -6.971 -16.458 74 H GLU 9 H GLU 9 21.349 -4.124 -9.382 75 HA GLU 9 HA GLU 9 22.934 -1.776 -9.668 76 HB2 GLU 9 HB2 GLU 9 23.957 -4.550 -9.074 77 HB3 GLU 9 HB3 GLU 9 24.687 -3.015 -8.627 78 HG2 GLU 9 HG2 GLU 9 22.828 -2.568 -7.110 79 HG3 GLU 9 HG3 GLU 9 22.094 -4.107 -7.558 80 H ASN 10 H ASN 10 22.080 -4.163 -11.842 81 HA ASN 10 HA ASN 10 24.563 -3.983 -13.377 82 HB2 ASN 10 HB2 ASN 10 22.140 -5.758 -13.540 83 HB3 ASN 10 HB3 ASN 10 23.272 -5.647 -14.884 84 HD21 ASN 10 HD21 ASN 10 23.698 -5.720 -11.364 85 HD22 ASN 10 HD22 ASN 10 24.769 -7.076 -11.352 86 H TYR 11 H TYR 11 23.278 -1.582 -13.246 87 HA TYR 11 HA TYR 11 22.579 -1.163 -16.037 88 HB2 TYR 11 HB2 TYR 11 20.544 -1.411 -14.176 89 HB3 TYR 11 HB3 TYR 11 20.765 0.331 -14.305 90 HD1 TYR 11 HD1 TYR 11 20.425 -2.680 -16.493 91 HD2 TYR 11 HD2 TYR 11 19.618 1.464 -15.961 92 HE1 TYR 11 HE1 TYR 11 19.113 -2.674 -18.574 93 HE2 TYR 11 HE2 TYR 11 18.303 1.480 -18.039 94 HH TYR 11 HH TYR 11 18.424 -0.219 -20.306 95 HA PRO 12 HA PRO 12 25.057 2.421 -15.399 96 HB2 PRO 12 HB2 PRO 12 24.272 3.863 -17.561 97 HB3 PRO 12 HB3 PRO 12 25.328 2.451 -17.680 98 HG2 PRO 12 HG2 PRO 12 22.380 2.658 -18.159 99 HG3 PRO 12 HG3 PRO 12 23.609 1.793 -19.101 100 HD2 PRO 12 HD2 PRO 12 21.975 0.543 -17.341 101 HD3 PRO 12 HD3 PRO 12 23.636 -0.001 -17.654 102 H VAL 13 H VAL 13 24.704 3.940 -13.916 103 HA VAL 13 HA VAL 13 22.189 4.889 -13.143 104 HB VAL 13 HB VAL 13 23.320 6.464 -11.745 105 HG11 VAL 13 HG11 VAL 13 25.274 4.200 -11.850 106 HG12 VAL 13 HG12 VAL 13 24.588 5.021 -10.447 107 HG13 VAL 13 HG13 VAL 13 23.595 3.914 -11.395 108 HG21 VAL 13 HG21 VAL 13 24.811 7.522 -13.266 109 HG22 VAL 13 HG22 VAL 13 25.799 6.817 -11.986 110 HG23 VAL 13 HG23 VAL 13 25.686 6.018 -13.554 111 H SER 14 H SER 14 24.210 5.816 -15.744 112 HA SER 14 HA SER 14 23.435 8.514 -16.041 113 HB2 SER 14 HB2 SER 14 25.053 6.637 -17.454 114 HB3 SER 14 HB3 SER 14 23.940 7.375 -18.607 115 HG SER 14 HG SER 14 24.707 9.397 -17.311 116 H LYS 15 H LYS 15 22.252 5.562 -17.645 117 HA LYS 15 HA LYS 15 20.239 6.769 -19.161 118 HB2 LYS 15 HB2 LYS 15 20.970 4.054 -18.358 119 HB3 LYS 15 HB3 LYS 15 19.237 4.262 -18.576 120 HG2 LYS 15 HG2 LYS 15 19.900 5.365 -20.822 121 HG3 LYS 15 HG3 LYS 15 21.440 4.539 -20.574 122 HD2 LYS 15 HD2 LYS 15 19.401 2.662 -20.038 123 HD3 LYS 15 HD3 LYS 15 18.961 3.484 -21.537 124 HE2 LYS 15 HE2 LYS 15 21.607 3.051 -21.938 125 HE3 LYS 15 HE3 LYS 15 21.185 1.646 -20.960 126 HZ1 LYS 15 HZ1 LYS 15 19.197 1.981 -22.891 127 HZ2 LYS 15 HZ2 LYS 15 20.313 0.718 -22.752 128 HZ3 LYS 15 HZ3 LYS 15 20.688 2.080 -23.684 129 H CYS 16 H CYS 16 20.391 6.021 -15.794 130 HA CYS 16 HA CYS 16 17.575 6.020 -15.304 131 HB2 CYS 16 HB2 CYS 16 20.045 5.921 -13.682 132 HB3 CYS 16 HB3 CYS 16 18.643 6.629 -12.887 133 H GLN 17 H GLN 17 20.151 8.406 -14.695 134 HA GLN 17 HA GLN 17 18.436 10.443 -13.776 135 HB2 GLN 17 HB2 GLN 17 21.185 10.597 -15.020 136 HB3 GLN 17 HB3 GLN 17 20.365 11.959 -14.268 137 HG2 GLN 17 HG2 GLN 17 21.140 11.353 -12.294 138 HG3 GLN 17 HG3 GLN 17 20.325 9.796 -12.437 139 HE21 GLN 17 HE21 GLN 17 21.980 8.718 -11.376 140 HE22 GLN 17 HE22 GLN 17 23.511 8.418 -12.118 141 H LEU 18 H LEU 18 18.946 9.193 -16.884 142 HA LEU 18 HA LEU 18 18.510 11.531 -18.432 143 HB2 LEU 18 HB2 LEU 18 18.622 8.628 -18.895 144 HB3 LEU 18 HB3 LEU 18 17.620 9.530 -20.030 145 HG LEU 18 HG LEU 18 20.460 10.329 -19.477 146 HD11 LEU 18 HD11 LEU 18 20.380 8.954 -21.910 147 HD12 LEU 18 HD12 LEU 18 19.567 7.910 -20.744 148 HD13 LEU 18 HD13 LEU 18 21.209 8.472 -20.429 149 HD21 LEU 18 HD21 LEU 18 18.915 10.629 -22.026 150 HD22 LEU 18 HD22 LEU 18 20.296 11.559 -21.442 151 HD23 LEU 18 HD23 LEU 18 18.709 11.776 -20.701 152 H ARG 19 H ARG 19 16.735 12.572 -17.434 153 HA ARG 19 HA ARG 19 14.210 11.376 -17.054 154 HB2 ARG 19 HB2 ARG 19 15.385 13.982 -16.750 155 HB3 ARG 19 HB3 ARG 19 13.821 14.130 -17.540 156 HG2 ARG 19 HG2 ARG 19 14.217 12.561 -15.010 157 HG3 ARG 19 HG3 ARG 19 13.830 14.283 -15.023 158 HD2 ARG 19 HD2 ARG 19 12.010 13.086 -16.779 159 HD3 ARG 19 HD3 ARG 19 12.099 12.009 -15.385 160 HE ARG 19 HE ARG 19 10.883 14.581 -15.481 161 HH11 ARG 19 HH11 ARG 19 12.614 12.390 -13.402 162 HH12 ARG 19 HH12 ARG 19 11.932 13.029 -11.943 163 HH21 ARG 19 HH21 ARG 19 9.978 15.431 -13.567 164 HH22 ARG 19 HH22 ARG 19 10.433 14.758 -12.038 165 H ILE 20 H ILE 20 15.799 12.600 -19.852 166 HA ILE 20 HA ILE 20 13.414 13.035 -21.399 167 HB ILE 20 HB ILE 20 16.196 12.665 -22.493 168 HG12 ILE 20 HG12 ILE 20 14.927 15.190 -21.411 169 HG13 ILE 20 HG13 ILE 20 16.285 14.329 -20.697 170 HG21 ILE 20 HG21 ILE 20 15.415 14.018 -24.320 171 HG22 ILE 20 HG22 ILE 20 14.285 12.688 -24.074 172 HG23 ILE 20 HG23 ILE 20 13.879 14.306 -23.503 173 HD11 ILE 20 HD11 ILE 20 16.967 16.327 -21.945 174 HD12 ILE 20 HD12 ILE 20 17.662 14.848 -22.607 175 HD13 ILE 20 HD13 ILE 20 16.297 15.619 -23.414 176 H ALA 21 H ALA 21 15.604 10.391 -20.805 177 HA ALA 21 HA ALA 21 13.833 8.620 -22.301 178 HB1 ALA 21 HB1 ALA 21 15.745 9.384 -23.793 179 HB2 ALA 21 HB2 ALA 21 16.800 8.439 -22.741 180 HB3 ALA 21 HB3 ALA 21 15.504 7.644 -23.636 181 H ASN 22 H ASN 22 13.263 7.982 -20.138 182 HA ASN 22 HA ASN 22 15.277 6.747 -18.473 183 HB2 ASN 22 HB2 ASN 22 13.010 8.012 -17.833 184 HB3 ASN 22 HB3 ASN 22 12.378 6.369 -17.910 185 HD21 ASN 22 HD21 ASN 22 11.989 6.234 -15.728 186 HD22 ASN 22 HD22 ASN 22 13.253 6.132 -14.555 187 H GLN 23 H GLN 23 16.030 5.054 -19.799 188 HA GLN 23 HA GLN 23 14.257 3.065 -20.843 189 HB2 GLN 23 HB2 GLN 23 17.039 3.719 -21.055 190 HB3 GLN 23 HB3 GLN 23 16.881 2.016 -20.648 191 HG2 GLN 23 HG2 GLN 23 15.269 3.212 -22.864 192 HG3 GLN 23 HG3 GLN 23 16.941 2.718 -23.124 193 HE21 GLN 23 HE21 GLN 23 13.921 1.746 -23.588 194 HE22 GLN 23 HE22 GLN 23 14.104 0.033 -23.457 195 H CYS 24 H CYS 24 15.256 3.734 -17.763 196 HA CYS 24 HA CYS 24 15.806 1.161 -16.725 197 HB2 CYS 24 HB2 CYS 24 16.476 2.990 -15.390 198 HB3 CYS 24 HB3 CYS 24 14.886 3.741 -15.475 199 H ASN 25 H ASN 25 12.863 3.140 -16.307 200 HA ASN 25 HA ASN 25 11.259 1.157 -15.223 201 HB2 ASN 25 HB2 ASN 25 9.372 2.545 -15.785 202 HB3 ASN 25 HB3 ASN 25 10.709 3.597 -15.333 203 HD21 ASN 25 HD21 ASN 25 8.772 2.392 -17.966 204 HD22 ASN 25 HD22 ASN 25 9.207 3.615 -19.106 205 H TYR 26 H TYR 26 11.901 1.930 -18.601 206 HA TYR 26 HA TYR 26 9.973 0.135 -19.677 207 HB2 TYR 26 HB2 TYR 26 11.520 2.145 -20.709 208 HB3 TYR 26 HB3 TYR 26 12.315 0.715 -21.356 209 HD1 TYR 26 HD2 TYR 26 10.562 -1.097 -22.311 210 HD2 TYR 26 HD1 TYR 26 9.870 3.090 -22.006 211 HE1 TYR 26 HE2 TYR 26 8.851 -1.258 -24.070 212 HE2 TYR 26 HE1 TYR 26 8.156 2.941 -23.764 213 HH TYR 26 HH TYR 26 6.703 0.222 -24.687 214 H ASP 27 H ASP 27 13.389 -0.116 -18.866 215 HA ASP 27 HA ASP 27 13.812 -2.657 -20.059 216 HB2 ASP 27 HB2 ASP 27 15.772 -1.441 -19.653 217 HB3 ASP 27 HB3 ASP 27 15.290 -1.032 -18.009 218 H CYS 28 H CYS 28 12.979 -1.622 -16.776 219 HA CYS 28 HA CYS 28 13.152 -4.028 -15.438 220 HB2 CYS 28 HB2 CYS 28 11.369 -1.638 -15.109 221 HB3 CYS 28 HB3 CYS 28 11.137 -3.054 -14.089 222 H LYS 29 H LYS 29 10.197 -2.691 -16.928 223 HA LYS 29 HA LYS 29 8.648 -5.014 -16.588 224 HB2 LYS 29 HB2 LYS 29 8.306 -2.918 -18.737 225 HB3 LYS 29 HB3 LYS 29 7.069 -3.995 -18.104 226 HG2 LYS 29 HG2 LYS 29 6.896 -2.833 -16.105 227 HG3 LYS 29 HG3 LYS 29 8.478 -2.074 -16.297 228 HD2 LYS 29 HD2 LYS 29 6.931 -0.364 -16.739 229 HD3 LYS 29 HD3 LYS 29 7.479 -0.898 -18.330 230 HE2 LYS 29 HE2 LYS 29 5.343 -1.192 -18.874 231 HE3 LYS 29 HE3 LYS 29 5.300 -2.529 -17.727 232 HZ1 LYS 29 HZ1 LYS 29 3.558 -1.112 -17.116 233 HZ2 LYS 29 HZ2 LYS 29 4.499 0.284 -17.280 234 HZ3 LYS 29 HZ3 LYS 29 4.784 -0.783 -15.997 235 H LEU 30 H LEU 30 10.917 -4.051 -19.053 236 HA LEU 30 HA LEU 30 10.197 -5.706 -21.154 237 HB2 LEU 30 HB2 LEU 30 12.103 -3.946 -20.900 238 HB3 LEU 30 HB3 LEU 30 13.073 -5.340 -20.430 239 HG LEU 30 HG LEU 30 13.367 -4.758 -22.792 240 HD11 LEU 30 HD11 LEU 30 13.420 -7.146 -21.869 241 HD12 LEU 30 HD12 LEU 30 13.296 -6.939 -23.615 242 HD13 LEU 30 HD13 LEU 30 11.863 -7.348 -22.673 243 HD21 LEU 30 HD21 LEU 30 11.685 -4.539 -24.297 244 HD22 LEU 30 HD22 LEU 30 10.787 -4.083 -22.849 245 HD23 LEU 30 HD23 LEU 30 10.656 -5.722 -23.489 246 H ASP 31 H ASP 31 12.450 -6.433 -18.491 247 HA ASP 31 HA ASP 31 12.168 -9.290 -19.140 248 HB2 ASP 31 HB2 ASP 31 14.430 -7.636 -18.300 249 HB3 ASP 31 HB3 ASP 31 14.256 -9.102 -17.339 250 H LYS 32 H LYS 32 12.948 -7.429 -16.201 251 HA LYS 32 HA LYS 32 12.031 -9.222 -14.337 252 HB2 LYS 32 HB2 LYS 32 11.719 -6.228 -14.084 253 HB3 LYS 32 HB3 LYS 32 11.898 -7.393 -12.779 254 HG2 LYS 32 HG2 LYS 32 14.152 -7.851 -14.233 255 HG3 LYS 32 HG3 LYS 32 13.924 -6.115 -14.455 256 HD2 LYS 32 HD2 LYS 32 13.670 -5.943 -11.954 257 HD3 LYS 32 HD3 LYS 32 14.190 -7.628 -11.862 258 HE2 LYS 32 HE2 LYS 32 16.317 -7.108 -12.782 259 HE3 LYS 32 HE3 LYS 32 15.799 -5.484 -13.231 260 HZ1 LYS 32 HZ1 LYS 32 16.466 -4.756 -11.267 261 HZ2 LYS 32 HZ2 LYS 32 16.996 -6.307 -10.850 262 HZ3 LYS 32 HZ3 LYS 32 15.420 -5.822 -10.472 263 H HIS 33 H HIS 33 10.177 -7.036 -16.331 264 HA HIS 33 HA HIS 33 7.945 -6.855 -16.734 265 HB2 HIS 33 HB2 HIS 33 8.349 -9.529 -16.352 266 HB3 HIS 33 HB3 HIS 33 7.130 -9.186 -15.128 267 HD1 HIS 33 HD1 HIS 33 7.534 -9.834 -18.687 268 HD2 HIS 33 HD2 HIS 33 4.704 -8.005 -16.256 269 HE1 HIS 33 HE1 HIS 33 5.445 -9.689 -20.080 270 H ALA 34 H ALA 34 9.135 -5.633 -14.397 271 HA ALA 34 HA ALA 34 7.579 -5.863 -12.089 272 HB1 ALA 34 HB1 ALA 34 9.092 -3.496 -13.179 273 HB2 ALA 34 HB2 ALA 34 8.396 -3.572 -11.560 274 HB3 ALA 34 HB3 ALA 34 9.672 -4.697 -12.025 275 H ARG 35 H ARG 35 6.494 -3.515 -11.390 276 HA ARG 35 HA ARG 35 4.037 -3.501 -12.883 277 HB2 ARG 35 HB2 ARG 35 4.648 -1.506 -10.738 278 HB3 ARG 35 HB3 ARG 35 3.126 -2.299 -11.121 279 HG2 ARG 35 HG2 ARG 35 5.500 -3.455 -9.688 280 HG3 ARG 35 HG3 ARG 35 3.874 -3.184 -9.060 281 HD2 ARG 35 HD2 ARG 35 4.848 -5.280 -10.959 282 HD3 ARG 35 HD3 ARG 35 3.898 -5.466 -9.486 283 HE ARG 35 HE ARG 35 2.233 -4.080 -11.082 284 HH11 ARG 35 HH11 ARG 35 4.099 -6.977 -11.575 285 HH12 ARG 35 HH12 ARG 35 2.977 -7.664 -12.702 286 HH21 ARG 35 HH21 ARG 35 0.749 -4.973 -12.566 287 HH22 ARG 35 HH22 ARG 35 1.072 -6.523 -13.266 288 H SER 36 H SER 36 6.401 -0.972 -12.018 289 HA SER 36 HA SER 36 5.777 0.362 -14.561 290 HB2 SER 36 HB2 SER 36 6.374 2.433 -12.788 291 HB3 SER 36 HB3 SER 36 4.784 2.034 -13.437 292 HG SER 36 HG SER 36 5.705 1.791 -10.914 293 H GLY 37 H GLY 37 7.989 0.361 -11.766 294 HA2 GLY 37 HA2 GLY 37 10.312 0.144 -11.813 295 HA3 GLY 37 HA3 GLY 37 10.262 0.254 -13.566 296 H GLU 38 H GLU 38 11.688 1.687 -11.181 297 HA GLU 38 HA GLU 38 11.808 4.242 -12.515 298 HB2 GLU 38 HB2 GLU 38 10.582 3.927 -9.794 299 HB3 GLU 38 HB3 GLU 38 11.435 5.405 -10.217 300 HG2 GLU 38 HG2 GLU 38 9.915 5.558 -12.226 301 HG3 GLU 38 HG3 GLU 38 8.969 4.264 -11.492 302 H CYS 39 H CYS 39 13.456 5.684 -11.476 303 HA CYS 39 HA CYS 39 15.627 4.035 -10.371 304 HB2 CYS 39 HB2 CYS 39 15.756 6.646 -11.894 305 HB3 CYS 39 HB3 CYS 39 17.148 5.779 -11.254 306 H PHE 40 H PHE 40 16.636 4.594 -8.502 307 HA PHE 40 HA PHE 40 16.077 7.157 -7.251 308 HB2 PHE 40 HB2 PHE 40 15.330 4.528 -5.956 309 HB3 PHE 40 HB3 PHE 40 15.367 6.077 -5.122 310 HD1 PHE 40 HD1 PHE 40 13.801 7.892 -5.863 311 HD2 PHE 40 HD2 PHE 40 13.470 3.873 -7.225 312 HE1 PHE 40 HE1 PHE 40 11.479 8.321 -6.555 313 HE2 PHE 40 HE2 PHE 40 11.149 4.296 -7.920 314 HZ PHE 40 HZ PHE 40 10.150 6.522 -7.587 315 H TYR 41 H TYR 41 17.432 7.564 -5.373 316 HA TYR 41 HA TYR 41 20.072 6.480 -5.750 317 HB2 TYR 41 HB2 TYR 41 18.926 8.590 -3.932 318 HB3 TYR 41 HB3 TYR 41 20.598 8.058 -3.797 319 HD1 TYR 41 HD1 TYR 41 22.190 8.495 -5.631 320 HD2 TYR 41 HD2 TYR 41 18.212 10.001 -5.733 321 HE1 TYR 41 HE1 TYR 41 22.840 10.074 -7.401 322 HE2 TYR 41 HE2 TYR 41 18.850 11.584 -7.504 323 HH TYR 41 HH TYR 41 21.408 11.329 -9.364 324 H ASP 42 H ASP 42 21.352 5.494 -4.110 325 HA ASP 42 HA ASP 42 19.766 3.800 -2.327 326 HB2 ASP 42 HB2 ASP 42 21.902 3.245 -4.013 327 HB3 ASP 42 HB3 ASP 42 22.627 3.249 -2.408 328 H GLU 43 H GLU 43 21.612 3.114 -0.428 329 HA GLU 43 HA GLU 43 21.392 5.233 1.415 330 HB2 GLU 43 HB2 GLU 43 23.246 2.854 1.592 331 HB3 GLU 43 HB3 GLU 43 22.666 3.839 2.927 332 HG2 GLU 43 HG2 GLU 43 20.372 2.926 1.623 333 HG3 GLU 43 HG3 GLU 43 21.464 1.545 1.691 334 H LYS 44 H LYS 44 23.945 4.242 -0.756 335 HA LYS 44 HA LYS 44 25.775 6.224 0.381 336 HB2 LYS 44 HB2 LYS 44 26.071 3.817 -1.324 337 HB3 LYS 44 HB3 LYS 44 27.193 5.135 -1.634 338 HG2 LYS 44 HG2 LYS 44 27.028 4.693 1.181 339 HG3 LYS 44 HG3 LYS 44 27.336 3.159 0.363 340 HD2 LYS 44 HD2 LYS 44 28.909 5.460 -0.598 341 HD3 LYS 44 HD3 LYS 44 29.266 4.923 1.045 342 HE2 LYS 44 HE2 LYS 44 29.123 2.560 -0.340 343 HE3 LYS 44 HE3 LYS 44 29.848 3.650 -1.520 344 HZ1 LYS 44 HZ1 LYS 44 30.985 2.520 0.851 345 HZ2 LYS 44 HZ2 LYS 44 31.182 4.199 0.789 346 HZ3 LYS 44 HZ3 LYS 44 31.752 3.233 -0.478 347 H ARG 45 H ARG 45 23.320 6.849 -1.218 348 HA ARG 45 HA ARG 45 22.670 8.379 -2.770 349 HB2 ARG 45 HB2 ARG 45 25.578 9.198 -2.858 350 HB3 ARG 45 HB3 ARG 45 24.192 10.162 -3.350 351 HG2 ARG 45 HG2 ARG 45 23.962 9.269 -0.606 352 HG3 ARG 45 HG3 ARG 45 25.439 10.193 -0.885 353 HD2 ARG 45 HD2 ARG 45 23.910 11.872 -2.091 354 HD3 ARG 45 HD3 ARG 45 22.587 11.033 -1.282 355 HE ARG 45 HE ARG 45 24.460 12.850 -0.100 356 HH11 ARG 45 HH11 ARG 45 22.380 10.125 0.510 357 HH12 ARG 45 HH12 ARG 45 22.199 10.474 2.197 358 HH21 ARG 45 HH21 ARG 45 24.229 13.320 2.120 359 HH22 ARG 45 HH22 ARG 45 23.250 12.293 3.112 360 H ASN 46 H ASN 46 23.247 5.787 -3.667 361 HA ASN 46 HA ASN 46 24.482 6.238 -6.298 362 HB2 ASN 46 HB2 ASN 46 23.821 3.474 -5.498 363 HB3 ASN 46 HB3 ASN 46 25.276 4.111 -6.258 364 HD21 ASN 46 HD21 ASN 46 27.036 4.320 -5.058 365 HD22 ASN 46 HD22 ASN 46 27.096 4.205 -3.335 366 H LEU 47 H LEU 47 23.017 6.751 -7.786 367 HA LEU 47 HA LEU 47 20.266 6.000 -7.591 368 HB2 LEU 47 HB2 LEU 47 21.774 7.880 -9.021 369 HB3 LEU 47 HB3 LEU 47 21.032 6.839 -10.234 370 HG LEU 47 HG LEU 47 19.529 8.325 -8.080 371 HD11 LEU 47 HD11 LEU 47 19.156 10.038 -9.514 372 HD12 LEU 47 HD12 LEU 47 19.261 9.013 -10.945 373 HD13 LEU 47 HD13 LEU 47 20.732 9.538 -10.127 374 HD21 LEU 47 HD21 LEU 47 17.617 7.398 -8.857 375 HD22 LEU 47 HD22 LEU 47 18.711 6.089 -9.303 376 HD23 LEU 47 HD23 LEU 47 18.216 7.276 -10.511 377 H GLN 48 H GLN 48 19.581 4.002 -7.967 378 HA GLN 48 HA GLN 48 20.738 2.536 -10.245 379 HB2 GLN 48 HB2 GLN 48 19.791 1.392 -7.612 380 HB3 GLN 48 HB3 GLN 48 20.327 0.444 -8.993 381 HG2 GLN 48 HG2 GLN 48 22.535 1.033 -8.714 382 HG3 GLN 48 HG3 GLN 48 22.140 2.501 -7.823 383 HE21 GLN 48 HE21 GLN 48 20.533 1.664 -5.856 384 HE22 GLN 48 HE22 GLN 48 21.347 0.540 -4.826 385 H CYS 49 H CYS 49 19.289 0.950 -11.232 386 HA CYS 49 HA CYS 49 16.659 2.061 -11.581 387 HB2 CYS 49 HB2 CYS 49 17.969 1.148 -13.476 388 HB3 CYS 49 HB3 CYS 49 17.857 -0.456 -12.757 389 H ILE 50 H ILE 50 15.462 1.758 -9.742 390 HA ILE 50 HA ILE 50 15.235 -0.915 -8.604 391 HB ILE 50 HB ILE 50 14.152 1.761 -7.745 392 HG12 ILE 50 HG12 ILE 50 15.567 0.437 -5.697 393 HG13 ILE 50 HG13 ILE 50 16.511 0.209 -7.165 394 HG21 ILE 50 HG21 ILE 50 12.417 0.226 -7.218 395 HG22 ILE 50 HG22 ILE 50 13.568 -0.969 -6.623 396 HG23 ILE 50 HG23 ILE 50 13.307 0.527 -5.726 397 HD11 ILE 50 HD11 ILE 50 16.344 2.491 -5.500 398 HD12 ILE 50 HD12 ILE 50 17.315 2.252 -6.953 399 HD13 ILE 50 HD13 ILE 50 15.685 2.914 -7.080 400 H CYS 51 H CYS 51 13.696 -2.291 -9.177 401 HA CYS 51 HA CYS 51 11.407 -1.293 -10.713 402 HB2 CYS 51 HB2 CYS 51 12.207 -4.179 -10.356 403 HB3 CYS 51 HB3 CYS 51 11.171 -3.487 -11.600 404 H ASP 52 H ASP 52 9.282 -2.194 -10.301 405 HA ASP 52 HA ASP 52 8.849 -2.606 -7.430 406 HB2 ASP 52 HB2 ASP 52 7.666 -0.731 -8.610 407 HB3 ASP 52 HB3 ASP 52 6.797 -1.943 -9.548 408 H TYR 53 H TYR 53 8.389 -4.562 -6.692 409 HA TYR 53 HA TYR 53 7.217 -6.526 -8.552 410 HB2 TYR 53 HB2 TYR 53 9.548 -6.707 -6.760 411 HB3 TYR 53 HB3 TYR 53 8.450 -8.080 -6.680 412 HD1 TYR 53 HD1 TYR 53 8.127 -9.530 -8.614 413 HD2 TYR 53 HD2 TYR 53 10.832 -6.250 -8.761 414 HE1 TYR 53 HE1 TYR 53 9.137 -10.463 -10.653 415 HE2 TYR 53 HE2 TYR 53 11.849 -7.173 -10.802 416 HH TYR 53 HH TYR 53 11.161 -10.350 -11.922 417 H CYS 54 H CYS 54 5.140 -6.716 -8.008 418 HA CYS 54 HA CYS 54 4.338 -7.889 -5.589 419 HB2 CYS 54 HB2 CYS 54 4.478 -4.977 -5.579 420 HB3 CYS 54 HB3 CYS 54 2.862 -5.570 -5.209 421 H GLU 55 H GLU 55 2.614 -5.278 -7.242 422 HA GLU 55 HA GLU 55 1.150 -7.078 -8.939 423 HB2 GLU 55 HB2 GLU 55 -0.048 -6.004 -6.419 424 HB3 GLU 55 HB3 GLU 55 -1.067 -6.170 -7.841 425 HG2 GLU 55 HG2 GLU 55 0.160 -8.595 -7.768 426 HG3 GLU 55 HG3 GLU 55 0.023 -8.211 -6.053 427 H TYR 56 H TYR 56 -0.779 -5.791 -9.958 428 HA TYR 56 HA TYR 56 0.347 -3.521 -11.223 429 HB2 TYR 56 HB2 TYR 56 -1.405 -5.172 -12.138 430 HB3 TYR 56 HB3 TYR 56 -2.585 -4.201 -11.266 431 HD1 TYR 56 HD1 TYR 56 -3.081 -1.916 -11.968 432 HD2 TYR 56 HD2 TYR 56 -0.305 -4.321 -14.116 433 HE1 TYR 56 HE1 TYR 56 -3.195 -0.347 -13.860 434 HE2 TYR 56 HE2 TYR 56 -0.410 -2.758 -16.013 435 HH TYR 56 HH TYR 56 -2.711 -0.688 -16.564 Start of MODEL 3 1 H1 GLN 1 H GLN 1 -0.740 0.151 -3.513 2 HA GLN 1 HA GLN 1 0.394 1.103 -1.392 3 HB2 GLN 1 HB2 GLN 1 -0.095 -1.761 -0.826 4 HB3 GLN 1 HB3 GLN 1 1.477 -1.136 -0.344 5 HG2 GLN 1 HG2 GLN 1 -0.095 0.795 0.646 6 HG3 GLN 1 HG3 GLN 1 -1.205 -0.572 0.737 7 HE21 GLN 1 HE21 GLN 1 -1.038 -1.901 2.410 8 HE22 GLN 1 HE22 GLN 1 0.274 -1.942 3.534 9 H ASP 2 H ASP 2 2.659 1.266 -1.440 10 HA ASP 2 HA ASP 2 4.009 -0.274 -3.551 11 HB2 ASP 2 HB2 ASP 2 5.267 1.876 -4.088 12 HB3 ASP 2 HB3 ASP 2 3.588 1.800 -4.613 13 H LYS 3 H LYS 3 4.679 -1.476 -1.588 14 HA LYS 3 HA LYS 3 6.959 -0.151 -0.270 15 HB2 LYS 3 HB2 LYS 3 6.548 -1.398 1.712 16 HB3 LYS 3 HB3 LYS 3 5.002 -0.721 1.219 17 HG2 LYS 3 HG2 LYS 3 4.383 -2.876 0.230 18 HG3 LYS 3 HG3 LYS 3 5.926 -3.550 0.759 19 HD2 LYS 3 HD2 LYS 3 5.104 -2.628 3.103 20 HD3 LYS 3 HD3 LYS 3 3.520 -2.817 2.347 21 HE2 LYS 3 HE2 LYS 3 3.826 -5.128 2.042 22 HE3 LYS 3 HE3 LYS 3 5.561 -5.021 2.335 23 HZ1 LYS 3 HZ1 LYS 3 5.050 -4.409 4.649 24 HZ2 LYS 3 HZ2 LYS 3 4.483 -5.951 4.247 25 HZ3 LYS 3 HZ3 LYS 3 3.404 -4.651 4.342 26 H CYS 4 H CYS 4 6.348 -2.166 -2.664 27 HA CYS 4 HA CYS 4 8.565 -3.990 -1.997 28 HB2 CYS 4 HB2 CYS 4 6.632 -4.653 -4.172 29 HB3 CYS 4 HB3 CYS 4 7.533 -5.728 -3.107 30 H LYS 5 H LYS 5 10.245 -4.179 -3.404 31 HA LYS 5 HA LYS 5 10.160 -3.244 -6.094 32 HB2 LYS 5 HB2 LYS 5 11.529 -1.314 -5.956 33 HB3 LYS 5 HB3 LYS 5 10.270 -1.100 -4.747 34 HG2 LYS 5 HG2 LYS 5 12.472 -2.418 -3.524 35 HG3 LYS 5 HG3 LYS 5 13.073 -1.012 -4.405 36 HD2 LYS 5 HD2 LYS 5 10.847 0.000 -3.197 37 HD3 LYS 5 HD3 LYS 5 11.409 -1.162 -1.993 38 HE2 LYS 5 HE2 LYS 5 13.180 0.915 -3.267 39 HE3 LYS 5 HE3 LYS 5 12.321 1.165 -1.748 40 HZ1 LYS 5 HZ1 LYS 5 13.538 -1.146 -1.253 41 HZ2 LYS 5 HZ2 LYS 5 14.221 0.359 -0.890 42 HZ3 LYS 5 HZ3 LYS 5 14.666 -0.452 -2.306 43 H LYS 6 H LYS 6 12.438 -3.220 -7.053 44 HA LYS 6 HA LYS 6 14.318 -4.931 -5.623 45 HB2 LYS 6 HB2 LYS 6 13.025 -5.648 -8.252 46 HB3 LYS 6 HB3 LYS 6 14.540 -6.363 -7.716 47 HG2 LYS 6 HG2 LYS 6 13.308 -7.081 -5.627 48 HG3 LYS 6 HG3 LYS 6 11.823 -6.617 -6.462 49 HD2 LYS 6 HD2 LYS 6 11.896 -8.807 -7.075 50 HD3 LYS 6 HD3 LYS 6 12.891 -8.135 -8.369 51 HE2 LYS 6 HE2 LYS 6 14.681 -9.269 -7.683 52 HE3 LYS 6 HE3 LYS 6 14.473 -8.712 -6.023 53 HZ1 LYS 6 HZ1 LYS 6 13.641 -11.202 -7.260 54 HZ2 LYS 6 HZ2 LYS 6 12.526 -10.516 -6.189 55 HZ3 LYS 6 HZ3 LYS 6 14.091 -10.884 -5.660 56 H VAL 7 H VAL 7 16.155 -3.826 -5.705 57 HA VAL 7 HA VAL 7 16.729 -1.840 -7.642 58 HB VAL 7 HB VAL 7 18.561 -3.220 -5.676 59 HG11 VAL 7 HG11 VAL 7 20.164 -2.321 -6.982 60 HG12 VAL 7 HG12 VAL 7 19.054 -1.179 -7.743 61 HG13 VAL 7 HG13 VAL 7 19.722 -0.831 -6.148 62 HG21 VAL 7 HG21 VAL 7 17.722 -0.409 -5.331 63 HG22 VAL 7 HG22 VAL 7 16.481 -1.634 -5.073 64 HG23 VAL 7 HG23 VAL 7 17.970 -1.676 -4.130 65 H TYR 8 H TYR 8 18.012 -1.864 -9.436 66 HA TYR 8 HA TYR 8 18.940 -4.513 -10.335 67 HB2 TYR 8 HB2 TYR 8 17.057 -3.361 -11.624 68 HB3 TYR 8 HB3 TYR 8 18.270 -2.196 -12.146 69 HD1 TYR 8 HD2 TYR 8 18.768 -5.843 -11.693 70 HD2 TYR 8 HD1 TYR 8 18.337 -2.640 -14.461 71 HE1 TYR 8 HE2 TYR 8 19.418 -7.347 -13.526 72 HE2 TYR 8 HE1 TYR 8 18.985 -4.136 -16.302 73 HH TYR 8 HH TYR 8 19.096 -6.454 -16.838 74 H GLU 9 H GLU 9 20.948 -4.105 -9.198 75 HA GLU 9 HA GLU 9 22.646 -1.946 -9.646 76 HB2 GLU 9 HB2 GLU 9 23.509 -4.801 -9.165 77 HB3 GLU 9 HB3 GLU 9 24.430 -3.345 -8.811 78 HG2 GLU 9 HG2 GLU 9 22.711 -2.702 -7.160 79 HG3 GLU 9 HG3 GLU 9 21.885 -4.228 -7.470 80 H ASN 10 H ASN 10 21.797 -4.549 -11.715 81 HA ASN 10 HA ASN 10 24.128 -4.263 -13.418 82 HB2 ASN 10 HB2 ASN 10 21.679 -5.818 -14.184 83 HB3 ASN 10 HB3 ASN 10 23.367 -6.140 -14.572 84 HD21 ASN 10 HD21 ASN 10 24.553 -6.028 -12.127 85 HD22 ASN 10 HD22 ASN 10 23.951 -7.298 -11.122 86 H TYR 11 H TYR 11 23.023 -1.839 -13.280 87 HA TYR 11 HA TYR 11 22.094 -1.418 -16.000 88 HB2 TYR 11 HB2 TYR 11 20.161 -1.624 -14.127 89 HB3 TYR 11 HB3 TYR 11 20.532 0.091 -13.986 90 HD1 TYR 11 HD2 TYR 11 19.934 -2.436 -16.681 91 HD2 TYR 11 HD1 TYR 11 19.295 1.533 -15.287 92 HE1 TYR 11 HE2 TYR 11 18.532 -1.977 -18.648 93 HE2 TYR 11 HE1 TYR 11 17.889 2.002 -17.250 94 HH TYR 11 HH TYR 11 17.838 0.117 -19.967 95 HA PRO 12 HA PRO 12 24.822 2.020 -15.613 96 HB2 PRO 12 HB2 PRO 12 23.988 3.443 -17.769 97 HB3 PRO 12 HB3 PRO 12 24.956 1.971 -17.906 98 HG2 PRO 12 HG2 PRO 12 22.000 2.330 -18.218 99 HG3 PRO 12 HG3 PRO 12 23.121 1.371 -19.202 100 HD2 PRO 12 HD2 PRO 12 21.531 0.265 -17.311 101 HD3 PRO 12 HD3 PRO 12 23.137 -0.380 -17.704 102 H VAL 13 H VAL 13 24.591 3.524 -14.086 103 HA VAL 13 HA VAL 13 22.179 4.667 -13.263 104 HB VAL 13 HB VAL 13 23.458 6.156 -11.900 105 HG11 VAL 13 HG11 VAL 13 23.544 3.614 -11.515 106 HG12 VAL 13 HG12 VAL 13 25.216 3.734 -12.066 107 HG13 VAL 13 HG13 VAL 13 24.689 4.631 -10.641 108 HG21 VAL 13 HG21 VAL 13 25.703 5.564 -13.811 109 HG22 VAL 13 HG22 VAL 13 24.991 7.127 -13.409 110 HG23 VAL 13 HG23 VAL 13 25.973 6.274 -12.219 111 H SER 14 H SER 14 24.232 5.454 -15.897 112 HA SER 14 HA SER 14 23.660 8.191 -16.199 113 HB2 SER 14 HB2 SER 14 25.056 6.176 -17.657 114 HB3 SER 14 HB3 SER 14 23.971 7.004 -18.773 115 HG SER 14 HG SER 14 25.312 8.606 -18.739 116 H LYS 15 H LYS 15 22.200 5.371 -17.820 117 HA LYS 15 HA LYS 15 20.225 6.767 -19.217 118 HB2 LYS 15 HB2 LYS 15 20.776 3.977 -18.515 119 HB3 LYS 15 HB3 LYS 15 19.062 4.326 -18.696 120 HG2 LYS 15 HG2 LYS 15 19.722 5.419 -20.921 121 HG3 LYS 15 HG3 LYS 15 21.248 4.554 -20.728 122 HD2 LYS 15 HD2 LYS 15 19.047 2.784 -20.215 123 HD3 LYS 15 HD3 LYS 15 18.832 3.574 -21.779 124 HE2 LYS 15 HE2 LYS 15 21.292 2.082 -20.868 125 HE3 LYS 15 HE3 LYS 15 20.077 1.481 -21.996 126 HZ1 LYS 15 HZ1 LYS 15 20.651 3.544 -23.353 127 HZ2 LYS 15 HZ2 LYS 15 21.773 2.279 -23.346 128 HZ3 LYS 15 HZ3 LYS 15 22.040 3.651 -22.393 129 H CYS 16 H CYS 16 20.454 5.929 -15.883 130 HA CYS 16 HA CYS 16 17.670 6.064 -15.271 131 HB2 CYS 16 HB2 CYS 16 20.198 5.817 -13.767 132 HB3 CYS 16 HB3 CYS 16 18.887 6.610 -12.901 133 H GLN 17 H GLN 17 20.376 8.323 -14.741 134 HA GLN 17 HA GLN 17 18.843 10.425 -13.703 135 HB2 GLN 17 HB2 GLN 17 21.479 10.424 -15.173 136 HB3 GLN 17 HB3 GLN 17 20.784 11.866 -14.446 137 HG2 GLN 17 HG2 GLN 17 21.768 11.327 -12.545 138 HG3 GLN 17 HG3 GLN 17 20.732 9.903 -12.452 139 HE21 GLN 17 HE21 GLN 17 22.256 8.609 -11.495 140 HE22 GLN 17 HE22 GLN 17 23.669 8.049 -12.316 141 H LEU 18 H LEU 18 19.087 9.216 -16.883 142 HA LEU 18 HA LEU 18 18.496 11.612 -18.304 143 HB2 LEU 18 HB2 LEU 18 18.647 8.727 -18.909 144 HB3 LEU 18 HB3 LEU 18 17.605 9.684 -19.960 145 HG LEU 18 HG LEU 18 20.384 10.638 -19.478 146 HD11 LEU 18 HD11 LEU 18 19.705 8.063 -20.652 147 HD12 LEU 18 HD12 LEU 18 21.270 8.709 -20.160 148 HD13 LEU 18 HD13 LEU 18 20.613 9.106 -21.747 149 HD21 LEU 18 HD21 LEU 18 18.477 11.744 -20.862 150 HD22 LEU 18 HD22 LEU 18 18.919 10.548 -22.080 151 HD23 LEU 18 HD23 LEU 18 20.119 11.706 -21.505 152 H ARG 19 H ARG 19 16.756 12.453 -16.997 153 HA ARG 19 HA ARG 19 14.317 11.169 -16.553 154 HB2 ARG 19 HB2 ARG 19 15.239 13.997 -16.610 155 HB3 ARG 19 HB3 ARG 19 13.504 13.713 -16.679 156 HG2 ARG 19 HG2 ARG 19 13.917 13.963 -14.415 157 HG3 ARG 19 HG3 ARG 19 13.883 12.211 -14.625 158 HD2 ARG 19 HD2 ARG 19 16.020 11.997 -14.010 159 HD3 ARG 19 HD3 ARG 19 16.531 13.337 -15.035 160 HE ARG 19 HE ARG 19 16.085 13.418 -12.233 161 HH11 ARG 19 HH11 ARG 19 15.762 15.304 -15.141 162 HH12 ARG 19 HH12 ARG 19 15.893 16.827 -14.324 163 HH21 ARG 19 HH21 ARG 19 16.259 15.416 -11.146 164 HH22 ARG 19 HH22 ARG 19 16.176 16.889 -12.052 165 H ILE 20 H ILE 20 15.658 12.437 -19.436 166 HA ILE 20 HA ILE 20 13.158 12.857 -20.799 167 HB ILE 20 HB ILE 20 15.848 12.533 -22.113 168 HG12 ILE 20 HG12 ILE 20 16.010 14.168 -20.253 169 HG13 ILE 20 HG13 ILE 20 16.211 14.919 -21.832 170 HG21 ILE 20 HG21 ILE 20 14.690 12.970 -23.954 171 HG22 ILE 20 HG22 ILE 20 13.212 13.166 -23.014 172 HG23 ILE 20 HG23 ILE 20 14.271 14.549 -23.290 173 HD11 ILE 20 HD11 ILE 20 14.730 16.049 -20.029 174 HD12 ILE 20 HD12 ILE 20 14.197 16.018 -21.710 175 HD13 ILE 20 HD13 ILE 20 13.521 14.875 -20.550 176 H ALA 21 H ALA 21 15.815 10.506 -21.188 177 HA ALA 21 HA ALA 21 13.872 8.658 -22.410 178 HB1 ALA 21 HB1 ALA 21 16.843 8.446 -22.762 179 HB2 ALA 21 HB2 ALA 21 15.556 7.767 -23.760 180 HB3 ALA 21 HB3 ALA 21 15.866 9.503 -23.781 181 H ASN 22 H ASN 22 13.448 8.321 -19.981 182 HA ASN 22 HA ASN 22 15.362 6.866 -18.458 183 HB2 ASN 22 HB2 ASN 22 13.131 8.197 -17.788 184 HB3 ASN 22 HB3 ASN 22 12.468 6.566 -17.848 185 HD21 ASN 22 HD21 ASN 22 12.123 6.395 -15.672 186 HD22 ASN 22 HD22 ASN 22 13.402 6.292 -14.516 187 H GLN 23 H GLN 23 16.038 5.166 -19.816 188 HA GLN 23 HA GLN 23 14.172 3.247 -20.841 189 HB2 GLN 23 HB2 GLN 23 16.955 3.832 -21.150 190 HB3 GLN 23 HB3 GLN 23 16.780 2.132 -20.737 191 HG2 GLN 23 HG2 GLN 23 15.077 3.325 -22.877 192 HG3 GLN 23 HG3 GLN 23 16.748 2.880 -23.220 193 HE21 GLN 23 HE21 GLN 23 13.746 1.830 -23.576 194 HE22 GLN 23 HE22 GLN 23 13.978 0.121 -23.465 195 H CYS 24 H CYS 24 15.224 3.854 -17.784 196 HA CYS 24 HA CYS 24 15.782 1.270 -16.781 197 HB2 CYS 24 HB2 CYS 24 16.461 3.106 -15.445 198 HB3 CYS 24 HB3 CYS 24 14.854 3.825 -15.480 199 H ASN 25 H ASN 25 12.841 3.244 -16.330 200 HA ASN 25 HA ASN 25 11.248 1.248 -15.245 201 HB2 ASN 25 HB2 ASN 25 9.374 2.650 -15.710 202 HB3 ASN 25 HB3 ASN 25 10.731 3.721 -15.374 203 HD21 ASN 25 HD21 ASN 25 11.357 5.147 -16.879 204 HD22 ASN 25 HD22 ASN 25 10.662 5.282 -18.455 205 H TYR 26 H TYR 26 11.863 2.056 -18.621 206 HA TYR 26 HA TYR 26 9.925 0.267 -19.695 207 HB2 TYR 26 HB2 TYR 26 11.445 2.299 -20.723 208 HB3 TYR 26 HB3 TYR 26 12.247 0.882 -21.392 209 HD1 TYR 26 HD1 TYR 26 8.691 1.898 -20.803 210 HD2 TYR 26 HD2 TYR 26 11.586 0.406 -23.541 211 HE1 TYR 26 HE1 TYR 26 6.959 1.748 -22.543 212 HE2 TYR 26 HE2 TYR 26 9.862 0.253 -25.289 213 HH TYR 26 HH TYR 26 6.471 0.925 -24.589 214 H ASP 27 H ASP 27 13.346 0.020 -18.912 215 HA ASP 27 HA ASP 27 13.782 -2.495 -20.150 216 HB2 ASP 27 HB2 ASP 27 15.729 -1.257 -19.711 217 HB3 ASP 27 HB3 ASP 27 15.249 -0.919 -18.051 218 H CYS 28 H CYS 28 12.961 -1.534 -16.839 219 HA CYS 28 HA CYS 28 13.125 -4.001 -15.589 220 HB2 CYS 28 HB2 CYS 28 11.430 -1.571 -15.114 221 HB3 CYS 28 HB3 CYS 28 11.184 -3.018 -14.143 222 H LYS 29 H LYS 29 10.162 -2.511 -16.908 223 HA LYS 29 HA LYS 29 8.548 -4.789 -16.619 224 HB2 LYS 29 HB2 LYS 29 8.228 -2.603 -18.681 225 HB3 LYS 29 HB3 LYS 29 6.969 -3.665 -18.065 226 HG2 LYS 29 HG2 LYS 29 6.871 -2.579 -16.022 227 HG3 LYS 29 HG3 LYS 29 8.476 -1.871 -16.209 228 HD2 LYS 29 HD2 LYS 29 7.039 -0.072 -16.575 229 HD3 LYS 29 HD3 LYS 29 7.452 -0.607 -18.206 230 HE2 LYS 29 HE2 LYS 29 5.273 -0.767 -18.618 231 HE3 LYS 29 HE3 LYS 29 5.220 -2.118 -17.485 232 HZ1 LYS 29 HZ1 LYS 29 4.199 -0.884 -15.945 233 HZ2 LYS 29 HZ2 LYS 29 3.809 0.152 -17.224 234 HZ3 LYS 29 HZ3 LYS 29 5.145 0.486 -16.243 235 H LEU 30 H LEU 30 10.784 -3.823 -19.113 236 HA LEU 30 HA LEU 30 9.944 -5.391 -21.241 237 HB2 LEU 30 HB2 LEU 30 12.217 -3.870 -20.566 238 HB3 LEU 30 HB3 LEU 30 12.802 -5.457 -21.062 239 HG LEU 30 HG LEU 30 12.840 -4.072 -22.983 240 HD11 LEU 30 HD11 LEU 30 10.261 -5.539 -23.364 241 HD12 LEU 30 HD12 LEU 30 11.764 -6.421 -23.090 242 HD13 LEU 30 HD13 LEU 30 11.614 -5.344 -24.479 243 HD21 LEU 30 HD21 LEU 30 10.563 -3.080 -23.749 244 HD22 LEU 30 HD22 LEU 30 11.523 -2.228 -22.540 245 HD23 LEU 30 HD23 LEU 30 10.140 -3.203 -22.041 246 H ASP 31 H ASP 31 12.308 -6.252 -18.715 247 HA ASP 31 HA ASP 31 11.927 -9.079 -19.430 248 HB2 ASP 31 HB2 ASP 31 14.240 -7.499 -18.578 249 HB3 ASP 31 HB3 ASP 31 14.061 -9.008 -17.688 250 H LYS 32 H LYS 32 12.816 -7.332 -16.453 251 HA LYS 32 HA LYS 32 11.911 -9.169 -14.626 252 HB2 LYS 32 HB2 LYS 32 11.704 -6.171 -14.301 253 HB3 LYS 32 HB3 LYS 32 11.806 -7.363 -13.012 254 HG2 LYS 32 HG2 LYS 32 14.053 -7.910 -14.457 255 HG3 LYS 32 HG3 LYS 32 13.916 -6.159 -14.633 256 HD2 LYS 32 HD2 LYS 32 13.666 -6.017 -12.145 257 HD3 LYS 32 HD3 LYS 32 14.039 -7.741 -12.069 258 HE2 LYS 32 HE2 LYS 32 16.213 -7.370 -13.014 259 HE3 LYS 32 HE3 LYS 32 15.839 -5.676 -13.328 260 HZ1 LYS 32 HZ1 LYS 32 17.088 -6.633 -11.121 261 HZ2 LYS 32 HZ2 LYS 32 15.502 -6.417 -10.576 262 HZ3 LYS 32 HZ3 LYS 32 16.349 -5.116 -11.247 263 H HIS 33 H HIS 33 10.051 -6.840 -16.461 264 HA HIS 33 HA HIS 33 7.813 -6.607 -16.803 265 HB2 HIS 33 HB2 HIS 33 8.174 -9.304 -16.558 266 HB3 HIS 33 HB3 HIS 33 6.990 -8.995 -15.291 267 HD1 HIS 33 HD1 HIS 33 6.969 -10.129 -18.543 268 HD2 HIS 33 HD2 HIS 33 4.898 -7.065 -16.650 269 HE1 HIS 33 HE1 HIS 33 4.937 -9.713 -19.965 270 H ALA 34 H ALA 34 9.066 -5.486 -14.470 271 HA ALA 34 HA ALA 34 7.588 -5.807 -12.119 272 HB1 ALA 34 HB1 ALA 34 9.632 -4.068 -13.079 273 HB2 ALA 34 HB2 ALA 34 8.394 -3.105 -12.272 274 HB3 ALA 34 HB3 ALA 34 9.178 -4.432 -11.414 275 H ARG 35 H ARG 35 6.570 -3.441 -11.313 276 HA ARG 35 HA ARG 35 4.046 -3.378 -12.690 277 HB2 ARG 35 HB2 ARG 35 4.955 -1.590 -10.433 278 HB3 ARG 35 HB3 ARG 35 3.301 -1.947 -10.914 279 HG2 ARG 35 HG2 ARG 35 3.455 -4.173 -10.113 280 HG3 ARG 35 HG3 ARG 35 5.201 -4.039 -9.892 281 HD2 ARG 35 HD2 ARG 35 3.999 -3.875 -7.763 282 HD3 ARG 35 HD3 ARG 35 4.872 -2.390 -8.138 283 HE ARG 35 HE ARG 35 2.196 -2.242 -9.057 284 HH11 ARG 35 HH11 ARG 35 4.126 -2.102 -6.163 285 HH12 ARG 35 HH12 ARG 35 3.003 -1.098 -5.307 286 HH21 ARG 35 HH21 ARG 35 0.710 -0.920 -7.940 287 HH22 ARG 35 HH22 ARG 35 1.060 -0.427 -6.318 288 H SER 36 H SER 36 6.463 -0.878 -11.882 289 HA SER 36 HA SER 36 5.750 0.499 -14.378 290 HB2 SER 36 HB2 SER 36 5.488 2.578 -13.356 291 HB3 SER 36 HB3 SER 36 4.733 1.495 -12.187 292 HG SER 36 HG SER 36 6.367 1.784 -10.831 293 H GLY 37 H GLY 37 8.066 0.404 -11.673 294 HA2 GLY 37 HA2 GLY 37 10.382 0.204 -11.799 295 HA3 GLY 37 HA3 GLY 37 10.271 0.321 -13.549 296 H GLU 38 H GLU 38 11.743 1.748 -11.160 297 HA GLU 38 HA GLU 38 11.873 4.296 -12.510 298 HB2 GLU 38 HB2 GLU 38 10.681 4.009 -9.768 299 HB3 GLU 38 HB3 GLU 38 11.515 5.485 -10.234 300 HG2 GLU 38 HG2 GLU 38 9.477 6.128 -10.895 301 HG3 GLU 38 HG3 GLU 38 9.861 5.189 -12.337 302 H CYS 39 H CYS 39 13.533 5.735 -11.479 303 HA CYS 39 HA CYS 39 15.704 4.076 -10.390 304 HB2 CYS 39 HB2 CYS 39 15.830 6.688 -11.911 305 HB3 CYS 39 HB3 CYS 39 17.225 5.822 -11.277 306 H PHE 40 H PHE 40 16.731 4.629 -8.529 307 HA PHE 40 HA PHE 40 16.182 7.189 -7.265 308 HB2 PHE 40 HB2 PHE 40 15.470 4.557 -5.953 309 HB3 PHE 40 HB3 PHE 40 15.480 6.118 -5.139 310 HD1 PHE 40 HD2 PHE 40 13.891 7.904 -5.934 311 HD2 PHE 40 HD1 PHE 40 13.610 3.842 -7.177 312 HE1 PHE 40 HE2 PHE 40 11.560 8.280 -6.628 313 HE2 PHE 40 HE1 PHE 40 11.280 4.212 -7.873 314 HZ PHE 40 HZ PHE 40 10.251 6.433 -7.597 315 H TYR 41 H TYR 41 17.560 7.603 -5.412 316 HA TYR 41 HA TYR 41 20.193 6.501 -5.810 317 HB2 TYR 41 HB2 TYR 41 19.078 8.658 -4.029 318 HB3 TYR 41 HB3 TYR 41 20.744 8.110 -3.881 319 HD1 TYR 41 HD1 TYR 41 22.329 8.454 -5.757 320 HD2 TYR 41 HD2 TYR 41 18.394 10.072 -5.828 321 HE1 TYR 41 HE1 TYR 41 22.997 9.986 -7.561 322 HE2 TYR 41 HE2 TYR 41 19.052 11.608 -7.633 323 HH TYR 41 HH TYR 41 20.702 11.862 -9.324 324 H ASP 42 H ASP 42 21.487 5.541 -4.164 325 HA ASP 42 HA ASP 42 19.911 3.889 -2.332 326 HB2 ASP 42 HB2 ASP 42 21.943 3.226 -4.047 327 HB3 ASP 42 HB3 ASP 42 22.799 3.374 -2.514 328 H GLU 43 H GLU 43 21.766 3.226 -0.440 329 HA GLU 43 HA GLU 43 21.581 5.371 1.371 330 HB2 GLU 43 HB2 GLU 43 23.447 3.002 1.554 331 HB3 GLU 43 HB3 GLU 43 22.881 4.003 2.883 332 HG2 GLU 43 HG2 GLU 43 20.609 3.212 2.534 333 HG3 GLU 43 HG3 GLU 43 21.149 2.236 1.170 334 H LYS 44 H LYS 44 24.141 4.312 -0.777 335 HA LYS 44 HA LYS 44 25.964 6.335 0.284 336 HB2 LYS 44 HB2 LYS 44 26.247 3.874 -1.324 337 HB3 LYS 44 HB3 LYS 44 27.331 5.188 -1.760 338 HG2 LYS 44 HG2 LYS 44 27.302 4.910 1.079 339 HG3 LYS 44 HG3 LYS 44 27.595 3.334 0.341 340 HD2 LYS 44 HD2 LYS 44 29.538 4.051 -0.716 341 HD3 LYS 44 HD3 LYS 44 29.087 5.754 -0.603 342 HE2 LYS 44 HE2 LYS 44 30.162 5.960 1.331 343 HE3 LYS 44 HE3 LYS 44 29.261 4.612 2.023 344 HZ1 LYS 44 HZ1 LYS 44 30.859 3.088 1.039 345 HZ2 LYS 44 HZ2 LYS 44 31.636 4.192 2.058 346 HZ3 LYS 44 HZ3 LYS 44 31.725 4.383 0.379 347 H ARG 45 H ARG 45 23.494 6.927 -1.299 348 HA ARG 45 HA ARG 45 22.825 8.423 -2.876 349 HB2 ARG 45 HB2 ARG 45 25.730 9.244 -3.005 350 HB3 ARG 45 HB3 ARG 45 24.339 10.196 -3.508 351 HG2 ARG 45 HG2 ARG 45 24.121 9.366 -0.746 352 HG3 ARG 45 HG3 ARG 45 25.604 10.275 -1.049 353 HD2 ARG 45 HD2 ARG 45 23.832 11.784 -2.408 354 HD3 ARG 45 HD3 ARG 45 22.786 11.144 -1.141 355 HE ARG 45 HE ARG 45 23.849 12.501 0.356 356 HH11 ARG 45 HH11 ARG 45 25.842 12.180 -2.481 357 HH12 ARG 45 HH12 ARG 45 27.004 13.354 -1.957 358 HH21 ARG 45 HH21 ARG 45 25.372 14.048 1.056 359 HH22 ARG 45 HH22 ARG 45 26.736 14.415 0.055 360 H ASN 46 H ASN 46 23.418 5.809 -3.720 361 HA ASN 46 HA ASN 46 24.630 6.206 -6.368 362 HB2 ASN 46 HB2 ASN 46 23.944 3.467 -5.480 363 HB3 ASN 46 HB3 ASN 46 25.381 4.057 -6.310 364 HD21 ASN 46 HD21 ASN 46 27.183 4.295 -5.178 365 HD22 ASN 46 HD22 ASN 46 27.301 4.233 -3.456 366 H LEU 47 H LEU 47 23.167 6.699 -7.866 367 HA LEU 47 HA LEU 47 20.409 5.991 -7.647 368 HB2 LEU 47 HB2 LEU 47 21.954 7.793 -9.149 369 HB3 LEU 47 HB3 LEU 47 21.164 6.735 -10.317 370 HG LEU 47 HG LEU 47 19.735 8.325 -8.187 371 HD11 LEU 47 HD11 LEU 47 20.941 9.428 -10.307 372 HD12 LEU 47 HD12 LEU 47 19.415 10.016 -9.649 373 HD13 LEU 47 HD13 LEU 47 19.416 8.951 -11.054 374 HD21 LEU 47 HD21 LEU 47 18.869 6.074 -9.429 375 HD22 LEU 47 HD22 LEU 47 18.302 7.318 -10.544 376 HD23 LEU 47 HD23 LEU 47 17.816 7.364 -8.848 377 H GLN 48 H GLN 48 19.646 4.022 -8.009 378 HA GLN 48 HA GLN 48 20.802 2.455 -10.219 379 HB2 GLN 48 HB2 GLN 48 19.789 1.403 -7.573 380 HB3 GLN 48 HB3 GLN 48 20.339 0.412 -8.917 381 HG2 GLN 48 HG2 GLN 48 22.548 0.957 -8.597 382 HG3 GLN 48 HG3 GLN 48 22.165 2.470 -7.775 383 HE21 GLN 48 HE21 GLN 48 20.517 1.772 -5.804 384 HE22 GLN 48 HE22 GLN 48 21.275 0.666 -4.714 385 H CYS 49 H CYS 49 19.350 1.000 -11.291 386 HA CYS 49 HA CYS 49 16.726 2.120 -11.609 387 HB2 CYS 49 HB2 CYS 49 18.019 1.261 -13.528 388 HB3 CYS 49 HB3 CYS 49 17.937 -0.361 -12.847 389 H ILE 50 H ILE 50 15.585 1.778 -9.720 390 HA ILE 50 HA ILE 50 15.312 -0.923 -8.680 391 HB ILE 50 HB ILE 50 14.236 1.732 -7.747 392 HG12 ILE 50 HG12 ILE 50 15.696 0.305 -5.770 393 HG13 ILE 50 HG13 ILE 50 16.628 0.239 -7.261 394 HG21 ILE 50 HG21 ILE 50 13.410 0.452 -5.755 395 HG22 ILE 50 HG22 ILE 50 12.517 0.166 -7.248 396 HG23 ILE 50 HG23 ILE 50 13.683 -1.026 -6.676 397 HD11 ILE 50 HD11 ILE 50 15.741 2.885 -7.012 398 HD12 ILE 50 HD12 ILE 50 16.314 2.394 -5.417 399 HD13 ILE 50 HD13 ILE 50 17.380 2.265 -6.816 400 H CYS 51 H CYS 51 13.776 -2.271 -9.319 401 HA CYS 51 HA CYS 51 11.529 -1.243 -10.878 402 HB2 CYS 51 HB2 CYS 51 12.244 -4.134 -10.384 403 HB3 CYS 51 HB3 CYS 51 11.211 -3.482 -11.652 404 H ASP 52 H ASP 52 9.401 -2.443 -10.538 405 HA ASP 52 HA ASP 52 8.861 -2.563 -7.645 406 HB2 ASP 52 HB2 ASP 52 7.654 -1.017 -9.639 407 HB3 ASP 52 HB3 ASP 52 6.494 -2.298 -9.297 408 H TYR 53 H TYR 53 8.460 -4.510 -6.854 409 HA TYR 53 HA TYR 53 7.213 -6.518 -8.615 410 HB2 TYR 53 HB2 TYR 53 9.629 -6.677 -6.922 411 HB3 TYR 53 HB3 TYR 53 8.539 -8.054 -6.811 412 HD1 TYR 53 HD2 TYR 53 8.167 -9.506 -8.728 413 HD2 TYR 53 HD1 TYR 53 10.822 -6.191 -8.980 414 HE1 TYR 53 HE2 TYR 53 9.107 -10.424 -10.807 415 HE2 TYR 53 HE1 TYR 53 11.769 -7.099 -11.060 416 HH TYR 53 HH TYR 53 10.375 -9.897 -12.645 417 H CYS 54 H CYS 54 5.165 -6.663 -7.949 418 HA CYS 54 HA CYS 54 4.451 -7.849 -5.536 419 HB2 CYS 54 HB2 CYS 54 4.984 -5.083 -5.229 420 HB3 CYS 54 HB3 CYS 54 3.238 -5.283 -5.127 421 H GLU 55 H GLU 55 3.542 -5.714 -8.163 422 HA GLU 55 HA GLU 55 1.029 -7.203 -8.426 423 HB2 GLU 55 HB2 GLU 55 1.358 -4.223 -8.270 424 HB3 GLU 55 HB3 GLU 55 0.028 -4.924 -9.181 425 HG2 GLU 55 HG2 GLU 55 -0.292 -6.273 -6.913 426 HG3 GLU 55 HG3 GLU 55 0.496 -4.837 -6.262 427 H TYR 56 H TYR 56 -0.043 -6.248 -10.627 428 HA TYR 56 HA TYR 56 1.690 -7.152 -12.687 429 HB2 TYR 56 HB2 TYR 56 -1.104 -6.221 -12.481 430 HB3 TYR 56 HB3 TYR 56 -0.343 -5.966 -14.047 431 HD1 TYR 56 HD2 TYR 56 0.745 -7.997 -15.175 432 HD2 TYR 56 HD1 TYR 56 -1.961 -8.320 -11.907 433 HE1 TYR 56 HE2 TYR 56 0.316 -10.344 -15.769 434 HE2 TYR 56 HE1 TYR 56 -2.397 -10.668 -12.492 435 HH TYR 56 HH TYR 56 -0.978 -12.533 -13.798 Start of MODEL 4 1 H1 GLN 1 H GLN 1 0.514 -0.710 -0.184 2 HA GLN 1 HA GLN 1 1.358 -2.059 -1.992 3 HB2 GLN 1 HB2 GLN 1 0.389 0.649 -2.901 4 HB3 GLN 1 HB3 GLN 1 0.666 -0.688 -4.009 5 HG2 GLN 1 HG2 GLN 1 -0.961 -2.030 -2.687 6 HG3 GLN 1 HG3 GLN 1 -1.316 -0.579 -1.751 7 HE21 GLN 1 HE21 GLN 1 -2.792 0.794 -2.498 8 HE22 GLN 1 HE22 GLN 1 -3.518 0.725 -4.064 9 H ASP 2 H ASP 2 2.907 1.038 -1.552 10 HA ASP 2 HA ASP 2 4.962 0.357 -3.525 11 HB2 ASP 2 HB2 ASP 2 4.638 2.925 -1.961 12 HB3 ASP 2 HB3 ASP 2 5.693 2.656 -3.345 13 H LYS 3 H LYS 3 5.112 -1.338 -1.464 14 HA LYS 3 HA LYS 3 7.382 -0.341 0.131 15 HB2 LYS 3 HB2 LYS 3 6.724 -2.005 1.854 16 HB3 LYS 3 HB3 LYS 3 5.507 -0.763 1.591 17 HG2 LYS 3 HG2 LYS 3 4.246 -2.329 0.174 18 HG3 LYS 3 HG3 LYS 3 5.448 -3.576 0.517 19 HD2 LYS 3 HD2 LYS 3 4.858 -2.874 3.023 20 HD3 LYS 3 HD3 LYS 3 3.329 -2.441 2.254 21 HE2 LYS 3 HE2 LYS 3 2.849 -4.614 1.678 22 HE3 LYS 3 HE3 LYS 3 4.546 -5.094 1.650 23 HZ1 LYS 3 HZ1 LYS 3 2.865 -4.607 4.047 24 HZ2 LYS 3 HZ2 LYS 3 4.537 -4.859 4.106 25 HZ3 LYS 3 HZ3 LYS 3 3.517 -6.083 3.538 26 H CYS 4 H CYS 4 6.794 -2.074 -2.479 27 HA CYS 4 HA CYS 4 8.915 -4.028 -1.883 28 HB2 CYS 4 HB2 CYS 4 7.755 -5.471 -3.663 29 HB3 CYS 4 HB3 CYS 4 7.001 -5.380 -2.075 30 H LYS 5 H LYS 5 10.553 -4.165 -3.322 31 HA LYS 5 HA LYS 5 10.369 -3.310 -6.027 32 HB2 LYS 5 HB2 LYS 5 11.690 -1.329 -5.981 33 HB3 LYS 5 HB3 LYS 5 10.413 -1.113 -4.791 34 HG2 LYS 5 HG2 LYS 5 12.673 -2.292 -3.514 35 HG3 LYS 5 HG3 LYS 5 13.196 -0.876 -4.429 36 HD2 LYS 5 HD2 LYS 5 10.906 0.031 -3.252 37 HD3 LYS 5 HD3 LYS 5 11.538 -1.060 -2.017 38 HE2 LYS 5 HE2 LYS 5 13.360 0.908 -3.334 39 HE3 LYS 5 HE3 LYS 5 12.269 1.447 -2.059 40 HZ1 LYS 5 HZ1 LYS 5 13.968 -0.913 -1.616 41 HZ2 LYS 5 HZ2 LYS 5 13.331 0.174 -0.488 42 HZ3 LYS 5 HZ3 LYS 5 14.635 0.634 -1.462 43 H LYS 6 H LYS 6 12.646 -3.186 -7.024 44 HA LYS 6 HA LYS 6 14.614 -4.792 -5.592 45 HB2 LYS 6 HB2 LYS 6 13.315 -5.615 -8.187 46 HB3 LYS 6 HB3 LYS 6 14.866 -6.255 -7.660 47 HG2 LYS 6 HG2 LYS 6 13.714 -7.005 -5.552 48 HG3 LYS 6 HG3 LYS 6 12.189 -6.582 -6.334 49 HD2 LYS 6 HD2 LYS 6 12.345 -8.813 -6.866 50 HD3 LYS 6 HD3 LYS 6 13.125 -8.083 -8.271 51 HE2 LYS 6 HE2 LYS 6 15.319 -8.432 -7.168 52 HE3 LYS 6 HE3 LYS 6 14.490 -9.270 -5.858 53 HZ1 LYS 6 HZ1 LYS 6 15.086 -10.173 -8.550 54 HZ2 LYS 6 HZ2 LYS 6 13.557 -10.596 -7.966 55 HZ3 LYS 6 HZ3 LYS 6 14.944 -11.060 -7.117 56 H VAL 7 H VAL 7 16.396 -3.604 -5.720 57 HA VAL 7 HA VAL 7 16.855 -1.653 -7.731 58 HB VAL 7 HB VAL 7 17.785 -1.569 -5.401 59 HG11 VAL 7 HG11 VAL 7 19.715 -2.816 -4.810 60 HG12 VAL 7 HG12 VAL 7 18.540 -3.973 -5.435 61 HG13 VAL 7 HG13 VAL 7 19.889 -3.452 -6.445 62 HG21 VAL 7 HG21 VAL 7 20.233 -1.271 -6.899 63 HG22 VAL 7 HG22 VAL 7 18.854 -0.649 -7.806 64 HG23 VAL 7 HG23 VAL 7 19.195 -0.036 -6.188 65 H TYR 8 H TYR 8 18.200 -1.663 -9.493 66 HA TYR 8 HA TYR 8 19.223 -4.302 -10.310 67 HB2 TYR 8 HB2 TYR 8 17.331 -3.186 -11.653 68 HB3 TYR 8 HB3 TYR 8 18.565 -2.064 -12.213 69 HD1 TYR 8 HD2 TYR 8 18.828 -5.729 -11.610 70 HD2 TYR 8 HD1 TYR 8 18.837 -2.581 -14.472 71 HE1 TYR 8 HE2 TYR 8 19.482 -7.329 -13.360 72 HE2 TYR 8 HE1 TYR 8 19.490 -4.172 -16.230 73 HH TYR 8 HH TYR 8 19.416 -7.566 -15.755 74 H GLU 9 H GLU 9 21.267 -4.045 -9.389 75 HA GLU 9 HA GLU 9 22.903 -1.770 -9.774 76 HB2 GLU 9 HB2 GLU 9 23.903 -4.568 -9.264 77 HB3 GLU 9 HB3 GLU 9 24.663 -3.049 -8.811 78 HG2 GLU 9 HG2 GLU 9 22.697 -2.636 -7.304 79 HG3 GLU 9 HG3 GLU 9 22.197 -4.294 -7.633 80 H ASN 10 H ASN 10 21.958 -4.219 -11.888 81 HA ASN 10 HA ASN 10 24.356 -4.059 -13.538 82 HB2 ASN 10 HB2 ASN 10 21.883 -5.760 -13.577 83 HB3 ASN 10 HB3 ASN 10 22.893 -5.641 -15.015 84 HD21 ASN 10 HD21 ASN 10 23.634 -5.808 -11.551 85 HD22 ASN 10 HD22 ASN 10 24.668 -7.187 -11.665 86 H TYR 11 H TYR 11 23.183 -1.612 -13.341 87 HA TYR 11 HA TYR 11 22.386 -1.139 -16.098 88 HB2 TYR 11 HB2 TYR 11 20.400 -1.360 -14.222 89 HB3 TYR 11 HB3 TYR 11 20.713 0.372 -14.213 90 HD1 TYR 11 HD2 TYR 11 20.245 -2.391 -16.691 91 HD2 TYR 11 HD1 TYR 11 19.488 1.669 -15.670 92 HE1 TYR 11 HE2 TYR 11 18.881 -2.141 -18.723 93 HE2 TYR 11 HE1 TYR 11 18.121 1.930 -17.698 94 HH TYR 11 HH TYR 11 18.130 -0.305 -20.221 95 HA PRO 12 HA PRO 12 25.046 2.325 -15.522 96 HB2 PRO 12 HB2 PRO 12 24.267 3.801 -17.663 97 HB3 PRO 12 HB3 PRO 12 25.258 2.345 -17.810 98 HG2 PRO 12 HG2 PRO 12 22.310 2.679 -18.211 99 HG3 PRO 12 HG3 PRO 12 23.475 1.762 -19.184 100 HD2 PRO 12 HD2 PRO 12 21.836 0.583 -17.381 101 HD3 PRO 12 HD3 PRO 12 23.462 -0.032 -17.737 102 H VAL 13 H VAL 13 24.804 3.866 -14.040 103 HA VAL 13 HA VAL 13 22.347 4.923 -13.206 104 HB VAL 13 HB VAL 13 23.573 6.418 -11.813 105 HG11 VAL 13 HG11 VAL 13 25.451 4.096 -12.006 106 HG12 VAL 13 HG12 VAL 13 24.830 4.914 -10.572 107 HG13 VAL 13 HG13 VAL 13 23.777 3.855 -11.510 108 HG21 VAL 13 HG21 VAL 13 25.887 5.918 -13.675 109 HG22 VAL 13 HG22 VAL 13 25.054 7.444 -13.378 110 HG23 VAL 13 HG23 VAL 13 26.043 6.718 -12.111 111 H SER 14 H SER 14 24.348 5.753 -15.851 112 HA SER 14 HA SER 14 23.697 8.490 -16.120 113 HB2 SER 14 HB2 SER 14 25.210 6.552 -17.564 114 HB3 SER 14 HB3 SER 14 24.110 7.337 -18.697 115 HG SER 14 HG SER 14 25.991 8.543 -18.565 116 H LYS 15 H LYS 15 22.366 5.605 -17.732 117 HA LYS 15 HA LYS 15 20.380 6.910 -19.201 118 HB2 LYS 15 HB2 LYS 15 21.003 4.156 -18.429 119 HB3 LYS 15 HB3 LYS 15 19.281 4.445 -18.638 120 HG2 LYS 15 HG2 LYS 15 19.966 5.529 -20.876 121 HG3 LYS 15 HG3 LYS 15 21.486 4.662 -20.644 122 HD2 LYS 15 HD2 LYS 15 19.367 2.853 -20.113 123 HD3 LYS 15 HD3 LYS 15 19.003 3.676 -21.632 124 HE2 LYS 15 HE2 LYS 15 21.589 3.153 -22.046 125 HE3 LYS 15 HE3 LYS 15 21.215 1.827 -20.946 126 HZ1 LYS 15 HZ1 LYS 15 19.203 2.093 -22.930 127 HZ2 LYS 15 HZ2 LYS 15 20.170 0.754 -22.562 128 HZ3 LYS 15 HZ3 LYS 15 20.723 1.922 -23.654 129 H CYS 16 H CYS 16 20.546 6.092 -15.845 130 HA CYS 16 HA CYS 16 17.746 6.205 -15.308 131 HB2 CYS 16 HB2 CYS 16 20.238 6.017 -13.722 132 HB3 CYS 16 HB3 CYS 16 18.860 6.744 -12.903 133 H GLN 17 H GLN 17 20.417 8.487 -14.706 134 HA GLN 17 HA GLN 17 18.795 10.578 -13.747 135 HB2 GLN 17 HB2 GLN 17 21.529 10.630 -15.029 136 HB3 GLN 17 HB3 GLN 17 20.772 12.027 -14.276 137 HG2 GLN 17 HG2 GLN 17 21.527 11.399 -12.300 138 HG3 GLN 17 HG3 GLN 17 20.676 9.861 -12.441 139 HE21 GLN 17 HE21 GLN 17 22.304 8.730 -11.403 140 HE22 GLN 17 HE22 GLN 17 23.826 8.401 -12.151 141 H LEU 18 H LEU 18 19.215 9.344 -16.877 142 HA LEU 18 HA LEU 18 18.823 11.717 -18.387 143 HB2 LEU 18 HB2 LEU 18 18.857 8.819 -18.894 144 HB3 LEU 18 HB3 LEU 18 17.868 9.764 -20.006 145 HG LEU 18 HG LEU 18 20.729 10.494 -19.470 146 HD11 LEU 18 HD11 LEU 18 19.783 8.098 -20.742 147 HD12 LEU 18 HD12 LEU 18 21.437 8.628 -20.438 148 HD13 LEU 18 HD13 LEU 18 20.606 9.133 -21.910 149 HD21 LEU 18 HD21 LEU 18 20.575 11.735 -21.428 150 HD22 LEU 18 HD22 LEU 18 19.000 11.981 -20.673 151 HD23 LEU 18 HD23 LEU 18 19.171 10.837 -22.005 152 H ARG 19 H ARG 19 17.084 12.773 -17.325 153 HA ARG 19 HA ARG 19 14.538 11.634 -16.941 154 HB2 ARG 19 HB2 ARG 19 15.780 14.156 -16.522 155 HB3 ARG 19 HB3 ARG 19 14.295 14.439 -17.422 156 HG2 ARG 19 HG2 ARG 19 14.022 12.587 -15.167 157 HG3 ARG 19 HG3 ARG 19 14.459 14.239 -14.726 158 HD2 ARG 19 HD2 ARG 19 12.289 13.881 -16.715 159 HD3 ARG 19 HD3 ARG 19 11.932 13.457 -15.041 160 HE ARG 19 HE ARG 19 13.165 16.006 -15.197 161 HH11 ARG 19 HH11 ARG 19 10.147 14.364 -15.756 162 HH12 ARG 19 HH12 ARG 19 9.179 15.776 -15.488 163 HH21 ARG 19 HH21 ARG 19 11.902 17.871 -14.841 164 HH22 ARG 19 HH22 ARG 19 10.179 17.770 -14.968 165 H ILE 20 H ILE 20 16.117 12.863 -19.742 166 HA ILE 20 HA ILE 20 13.728 13.384 -21.251 167 HB ILE 20 HB ILE 20 16.483 12.938 -22.386 168 HG12 ILE 20 HG12 ILE 20 15.306 15.490 -21.264 169 HG13 ILE 20 HG13 ILE 20 16.646 14.580 -20.575 170 HG21 ILE 20 HG21 ILE 20 14.256 14.714 -23.361 171 HG22 ILE 20 HG22 ILE 20 15.733 14.265 -24.213 172 HG23 ILE 20 HG23 ILE 20 14.490 13.053 -23.906 173 HD11 ILE 20 HD11 ILE 20 17.261 15.169 -23.284 174 HD12 ILE 20 HD12 ILE 20 16.727 16.649 -22.488 175 HD13 ILE 20 HD13 ILE 20 18.068 15.722 -21.816 176 H ALA 21 H ALA 21 15.837 10.664 -20.716 177 HA ALA 21 HA ALA 21 13.989 8.967 -22.203 178 HB1 ALA 21 HB1 ALA 21 15.876 9.678 -23.735 179 HB2 ALA 21 HB2 ALA 21 16.944 8.728 -22.701 180 HB3 ALA 21 HB3 ALA 21 15.621 7.941 -23.562 181 H ASN 22 H ASN 22 13.434 8.315 -20.043 182 HA ASN 22 HA ASN 22 15.433 7.011 -18.417 183 HB2 ASN 22 HB2 ASN 22 13.191 8.309 -17.746 184 HB3 ASN 22 HB3 ASN 22 12.535 6.676 -17.832 185 HD21 ASN 22 HD21 ASN 22 12.163 6.534 -15.646 186 HD22 ASN 22 HD22 ASN 22 13.436 6.400 -14.486 187 H GLN 23 H GLN 23 16.145 5.324 -19.772 188 HA GLN 23 HA GLN 23 14.324 3.381 -20.824 189 HB2 GLN 23 HB2 GLN 23 17.114 3.991 -21.062 190 HB3 GLN 23 HB3 GLN 23 16.930 2.284 -20.679 191 HG2 GLN 23 HG2 GLN 23 15.314 3.544 -22.856 192 HG3 GLN 23 HG3 GLN 23 16.972 3.021 -23.144 193 HE21 GLN 23 HE21 GLN 23 13.921 2.116 -23.571 194 HE22 GLN 23 HE22 GLN 23 14.074 0.398 -23.473 195 H CYS 24 H CYS 24 15.368 3.991 -17.748 196 HA CYS 24 HA CYS 24 15.886 1.391 -16.755 197 HB2 CYS 24 HB2 CYS 24 16.615 3.186 -15.405 198 HB3 CYS 24 HB3 CYS 24 15.040 3.972 -15.455 199 H ASN 25 H ASN 25 12.991 3.426 -16.273 200 HA ASN 25 HA ASN 25 11.361 1.467 -15.185 201 HB2 ASN 25 HB2 ASN 25 9.499 2.899 -15.695 202 HB3 ASN 25 HB3 ASN 25 10.869 3.926 -15.281 203 HD21 ASN 25 HD21 ASN 25 8.851 2.742 -17.865 204 HD22 ASN 25 HD22 ASN 25 9.274 3.957 -19.017 205 H TYR 26 H TYR 26 11.980 2.251 -18.565 206 HA TYR 26 HA TYR 26 10.000 0.507 -19.631 207 HB2 TYR 26 HB2 TYR 26 11.539 2.496 -20.674 208 HB3 TYR 26 HB3 TYR 26 12.358 1.074 -21.308 209 HD1 TYR 26 HD2 TYR 26 11.089 -0.540 -22.730 210 HD2 TYR 26 HD1 TYR 26 9.439 3.196 -21.536 211 HE1 TYR 26 HE2 TYR 26 9.398 -0.725 -24.507 212 HE2 TYR 26 HE1 TYR 26 7.743 3.021 -23.309 213 HH TYR 26 HH TYR 26 7.380 0.110 -25.222 214 H ASP 27 H ASP 27 13.445 0.187 -18.938 215 HA ASP 27 HA ASP 27 13.770 -2.366 -20.122 216 HB2 ASP 27 HB2 ASP 27 15.773 -1.212 -19.781 217 HB3 ASP 27 HB3 ASP 27 15.344 -0.760 -18.133 218 H CYS 28 H CYS 28 12.945 -1.297 -16.862 219 HA CYS 28 HA CYS 28 13.144 -3.699 -15.495 220 HB2 CYS 28 HB2 CYS 28 11.388 -1.289 -15.158 221 HB3 CYS 28 HB3 CYS 28 11.164 -2.694 -14.121 222 H LYS 29 H LYS 29 10.171 -2.338 -16.927 223 HA LYS 29 HA LYS 29 8.620 -4.658 -16.561 224 HB2 LYS 29 HB2 LYS 29 8.227 -2.542 -18.682 225 HB3 LYS 29 HB3 LYS 29 7.003 -3.619 -18.022 226 HG2 LYS 29 HG2 LYS 29 6.846 -2.452 -16.045 227 HG3 LYS 29 HG3 LYS 29 8.464 -1.763 -16.200 228 HD2 LYS 29 HD2 LYS 29 7.015 0.030 -16.627 229 HD3 LYS 29 HD3 LYS 29 7.540 -0.506 -18.226 230 HE2 LYS 29 HE2 LYS 29 5.443 -0.935 -18.827 231 HE3 LYS 29 HE3 LYS 29 5.200 -1.960 -17.414 232 HZ1 LYS 29 HZ1 LYS 29 3.962 0.407 -17.879 233 HZ2 LYS 29 HZ2 LYS 29 5.182 0.841 -16.791 234 HZ3 LYS 29 HZ3 LYS 29 4.069 -0.364 -16.377 235 H LEU 30 H LEU 30 10.829 -3.682 -19.075 236 HA LEU 30 HA LEU 30 10.037 -5.335 -21.161 237 HB2 LEU 30 HB2 LEU 30 11.854 -3.549 -21.114 238 HB3 LEU 30 HB3 LEU 30 12.911 -4.802 -20.466 239 HG LEU 30 HG LEU 30 11.527 -5.532 -22.952 240 HD11 LEU 30 HD11 LEU 30 13.091 -4.196 -24.342 241 HD12 LEU 30 HD12 LEU 30 13.545 -3.295 -22.896 242 HD13 LEU 30 HD13 LEU 30 11.888 -3.224 -23.495 243 HD21 LEU 30 HD21 LEU 30 13.254 -6.908 -21.878 244 HD22 LEU 30 HD22 LEU 30 14.419 -5.601 -22.093 245 HD23 LEU 30 HD23 LEU 30 13.725 -6.405 -23.502 246 H ASP 31 H ASP 31 12.366 -6.028 -18.559 247 HA ASP 31 HA ASP 31 12.146 -8.886 -19.227 248 HB2 ASP 31 HB2 ASP 31 14.372 -7.182 -18.378 249 HB3 ASP 31 HB3 ASP 31 14.247 -8.678 -17.455 250 H LYS 32 H LYS 32 12.934 -7.056 -16.273 251 HA LYS 32 HA LYS 32 12.059 -8.888 -14.428 252 HB2 LYS 32 HB2 LYS 32 11.742 -5.897 -14.136 253 HB3 LYS 32 HB3 LYS 32 11.910 -7.075 -12.840 254 HG2 LYS 32 HG2 LYS 32 14.166 -7.523 -14.311 255 HG3 LYS 32 HG3 LYS 32 13.948 -5.779 -14.479 256 HD2 LYS 32 HD2 LYS 32 13.767 -5.608 -12.015 257 HD3 LYS 32 HD3 LYS 32 14.100 -7.337 -11.898 258 HE2 LYS 32 HE2 LYS 32 16.275 -7.015 -12.920 259 HE3 LYS 32 HE3 LYS 32 15.939 -5.300 -13.150 260 HZ1 LYS 32 HZ1 LYS 32 16.578 -4.866 -11.086 261 HZ2 LYS 32 HZ2 LYS 32 17.144 -6.455 -10.974 262 HZ3 LYS 32 HZ3 LYS 32 15.587 -6.072 -10.434 263 H HIS 33 H HIS 33 10.158 -6.667 -16.343 264 HA HIS 33 HA HIS 33 7.919 -6.518 -16.724 265 HB2 HIS 33 HB2 HIS 33 8.345 -9.186 -16.375 266 HB3 HIS 33 HB3 HIS 33 7.160 -8.866 -15.111 267 HD1 HIS 33 HD1 HIS 33 7.339 -9.802 -18.537 268 HD2 HIS 33 HD2 HIS 33 4.815 -7.370 -16.306 269 HE1 HIS 33 HE1 HIS 33 5.239 -9.579 -19.903 270 H ALA 34 H ALA 34 9.153 -5.324 -14.378 271 HA ALA 34 HA ALA 34 7.573 -5.570 -12.075 272 HB1 ALA 34 HB1 ALA 34 9.273 -3.321 -13.117 273 HB2 ALA 34 HB2 ALA 34 8.441 -3.244 -11.563 274 HB3 ALA 34 HB3 ALA 34 9.656 -4.490 -11.853 275 H ARG 35 H ARG 35 6.540 -3.244 -11.310 276 HA ARG 35 HA ARG 35 4.091 -3.108 -12.771 277 HB2 ARG 35 HB2 ARG 35 4.890 -1.101 -10.689 278 HB3 ARG 35 HB3 ARG 35 3.296 -1.752 -11.044 279 HG2 ARG 35 HG2 ARG 35 5.568 -3.134 -9.642 280 HG3 ARG 35 HG3 ARG 35 4.010 -2.654 -8.965 281 HD2 ARG 35 HD2 ARG 35 4.528 -4.780 -11.038 282 HD3 ARG 35 HD3 ARG 35 3.975 -5.018 -9.381 283 HE ARG 35 HE ARG 35 2.365 -4.401 -11.637 284 HH11 ARG 35 HH11 ARG 35 2.680 -3.823 -8.218 285 HH12 ARG 35 HH12 ARG 35 0.987 -3.546 -7.977 286 HH21 ARG 35 HH21 ARG 35 0.133 -4.039 -11.331 287 HH22 ARG 35 HH22 ARG 35 -0.461 -3.670 -9.748 288 H SER 36 H SER 36 6.542 -0.622 -12.025 289 HA SER 36 HA SER 36 5.972 0.610 -14.629 290 HB2 SER 36 HB2 SER 36 5.654 1.818 -11.946 291 HB3 SER 36 HB3 SER 36 6.468 2.821 -13.146 292 HG SER 36 HG SER 36 4.620 2.298 -14.540 293 H GLY 37 H GLY 37 8.122 0.707 -11.788 294 HA2 GLY 37 HA2 GLY 37 10.447 0.419 -11.806 295 HA3 GLY 37 HA3 GLY 37 10.428 0.556 -13.558 296 H GLU 38 H GLU 38 11.880 1.924 -11.183 297 HA GLU 38 HA GLU 38 11.995 4.514 -12.451 298 HB2 GLU 38 HB2 GLU 38 10.830 4.136 -9.711 299 HB3 GLU 38 HB3 GLU 38 11.680 5.620 -10.119 300 HG2 GLU 38 HG2 GLU 38 10.110 5.813 -12.094 301 HG3 GLU 38 HG3 GLU 38 9.171 4.524 -11.343 302 H CYS 39 H CYS 39 13.675 5.915 -11.405 303 HA CYS 39 HA CYS 39 15.847 4.220 -10.369 304 HB2 CYS 39 HB2 CYS 39 15.998 6.837 -11.880 305 HB3 CYS 39 HB3 CYS 39 17.383 5.930 -11.282 306 H PHE 40 H PHE 40 16.900 4.756 -8.518 307 HA PHE 40 HA PHE 40 16.426 7.327 -7.254 308 HB2 PHE 40 HB2 PHE 40 15.615 4.721 -5.951 309 HB3 PHE 40 HB3 PHE 40 15.708 6.269 -5.117 310 HD1 PHE 40 HD2 PHE 40 14.188 8.130 -5.844 311 HD2 PHE 40 HD1 PHE 40 13.723 4.121 -7.197 312 HE1 PHE 40 HE2 PHE 40 11.873 8.627 -6.510 313 HE2 PHE 40 HE1 PHE 40 11.406 4.612 -7.866 314 HZ PHE 40 HZ PHE 40 10.478 6.867 -7.522 315 H TYR 41 H TYR 41 17.782 7.641 -5.327 316 HA TYR 41 HA TYR 41 20.396 6.496 -5.758 317 HB2 TYR 41 HB2 TYR 41 19.335 8.626 -3.909 318 HB3 TYR 41 HB3 TYR 41 20.993 8.047 -3.807 319 HD1 TYR 41 HD1 TYR 41 22.586 8.510 -5.608 320 HD2 TYR 41 HD2 TYR 41 18.610 10.017 -5.743 321 HE1 TYR 41 HE1 TYR 41 23.250 10.085 -7.376 322 HE2 TYR 41 HE2 TYR 41 19.262 11.596 -7.513 323 HH TYR 41 HH TYR 41 22.318 11.407 -9.109 324 H ASP 42 H ASP 42 21.659 5.464 -4.131 325 HA ASP 42 HA ASP 42 20.033 3.821 -2.333 326 HB2 ASP 42 HB2 ASP 42 21.969 3.077 -4.082 327 HB3 ASP 42 HB3 ASP 42 22.919 3.245 -2.608 328 H GLU 43 H GLU 43 21.873 3.049 -0.468 329 HA GLU 43 HA GLU 43 21.814 5.215 1.353 330 HB2 GLU 43 HB2 GLU 43 23.477 2.712 1.620 331 HB3 GLU 43 HB3 GLU 43 22.870 3.737 2.912 332 HG2 GLU 43 HG2 GLU 43 20.591 2.966 1.552 333 HG3 GLU 43 HG3 GLU 43 21.603 1.523 1.549 334 H LYS 44 H LYS 44 24.116 4.170 -0.980 335 HA LYS 44 HA LYS 44 26.222 5.830 0.210 336 HB2 LYS 44 HB2 LYS 44 26.184 3.526 -1.658 337 HB3 LYS 44 HB3 LYS 44 27.429 4.738 -1.932 338 HG2 LYS 44 HG2 LYS 44 27.361 4.150 0.845 339 HG3 LYS 44 HG3 LYS 44 27.401 2.628 -0.049 340 HD2 LYS 44 HD2 LYS 44 29.228 4.717 -1.033 341 HD3 LYS 44 HD3 LYS 44 29.595 4.091 0.576 342 HE2 LYS 44 HE2 LYS 44 28.933 1.951 -1.242 343 HE3 LYS 44 HE3 LYS 44 30.245 2.937 -1.884 344 HZ1 LYS 44 HZ1 LYS 44 30.164 1.574 0.751 345 HZ2 LYS 44 HZ2 LYS 44 31.374 2.661 0.288 346 HZ3 LYS 44 HZ3 LYS 44 31.174 1.209 -0.556 347 H ARG 45 H ARG 45 23.736 6.698 -1.329 348 HA ARG 45 HA ARG 45 23.183 8.390 -2.745 349 HB2 ARG 45 HB2 ARG 45 26.124 9.033 -2.921 350 HB3 ARG 45 HB3 ARG 45 24.766 10.121 -3.173 351 HG2 ARG 45 HG2 ARG 45 25.335 8.813 -0.529 352 HG3 ARG 45 HG3 ARG 45 26.010 10.374 -0.998 353 HD2 ARG 45 HD2 ARG 45 23.962 11.426 -0.947 354 HD3 ARG 45 HD3 ARG 45 23.070 9.931 -1.227 355 HE ARG 45 HE ARG 45 23.926 10.998 1.310 356 HH11 ARG 45 HH11 ARG 45 22.918 8.161 -0.437 357 HH12 ARG 45 HH12 ARG 45 22.387 7.317 0.980 358 HH21 ARG 45 HH21 ARG 45 23.231 9.898 3.184 359 HH22 ARG 45 HH22 ARG 45 22.565 8.306 3.039 360 H ASN 46 H ASN 46 23.785 5.750 -3.756 361 HA ASN 46 HA ASN 46 24.853 6.359 -6.426 362 HB2 ASN 46 HB2 ASN 46 24.321 3.598 -5.340 363 HB3 ASN 46 HB3 ASN 46 25.372 4.063 -6.675 364 HD21 ASN 46 HD21 ASN 46 25.952 2.502 -4.281 365 HD22 ASN 46 HD22 ASN 46 27.249 3.318 -3.483 366 H LEU 47 H LEU 47 23.387 6.757 -7.935 367 HA LEU 47 HA LEU 47 20.627 6.067 -7.605 368 HB2 LEU 47 HB2 LEU 47 22.105 7.894 -9.134 369 HB3 LEU 47 HB3 LEU 47 21.300 6.838 -10.293 370 HG LEU 47 HG LEU 47 19.881 8.351 -8.103 371 HD11 LEU 47 HD11 LEU 47 21.076 9.586 -10.136 372 HD12 LEU 47 HD12 LEU 47 19.512 10.096 -9.502 373 HD13 LEU 47 HD13 LEU 47 19.592 9.098 -10.954 374 HD21 LEU 47 HD21 LEU 47 17.929 7.504 -8.899 375 HD22 LEU 47 HD22 LEU 47 18.989 6.159 -9.319 376 HD23 LEU 47 HD23 LEU 47 18.538 7.343 -10.546 377 H GLN 48 H GLN 48 19.821 4.121 -7.990 378 HA GLN 48 HA GLN 48 20.928 2.560 -10.228 379 HB2 GLN 48 HB2 GLN 48 19.916 1.475 -7.594 380 HB3 GLN 48 HB3 GLN 48 20.495 0.512 -8.947 381 HG2 GLN 48 HG2 GLN 48 22.695 1.096 -8.598 382 HG3 GLN 48 HG3 GLN 48 22.275 2.572 -7.730 383 HE21 GLN 48 HE21 GLN 48 20.599 1.752 -5.815 384 HE22 GLN 48 HE22 GLN 48 21.372 0.633 -4.751 385 H CYS 49 H CYS 49 19.438 1.097 -11.262 386 HA CYS 49 HA CYS 49 16.829 2.262 -11.560 387 HB2 CYS 49 HB2 CYS 49 18.077 1.368 -13.490 388 HB3 CYS 49 HB3 CYS 49 17.990 -0.246 -12.793 389 H ILE 50 H ILE 50 15.634 1.954 -9.722 390 HA ILE 50 HA ILE 50 15.359 -0.726 -8.618 391 HB ILE 50 HB ILE 50 14.320 1.959 -7.733 392 HG12 ILE 50 HG12 ILE 50 15.704 0.591 -5.694 393 HG13 ILE 50 HG13 ILE 50 16.647 0.354 -7.161 394 HG21 ILE 50 HG21 ILE 50 12.555 0.452 -7.226 395 HG22 ILE 50 HG22 ILE 50 13.681 -0.772 -6.642 396 HG23 ILE 50 HG23 ILE 50 13.448 0.718 -5.728 397 HD11 ILE 50 HD11 ILE 50 17.494 2.378 -6.928 398 HD12 ILE 50 HD12 ILE 50 15.879 3.075 -7.057 399 HD13 ILE 50 HD13 ILE 50 16.522 2.626 -5.478 400 H CYS 51 H CYS 51 13.807 -2.074 -9.219 401 HA CYS 51 HA CYS 51 11.520 -1.017 -10.723 402 HB2 CYS 51 HB2 CYS 51 12.337 -3.911 -10.459 403 HB3 CYS 51 HB3 CYS 51 11.256 -3.201 -11.653 404 H ASP 52 H ASP 52 9.400 -2.018 -10.351 405 HA ASP 52 HA ASP 52 8.970 -2.455 -7.482 406 HB2 ASP 52 HB2 ASP 52 7.258 -1.388 -9.698 407 HB3 ASP 52 HB3 ASP 52 6.498 -2.074 -8.265 408 H TYR 53 H TYR 53 8.671 -4.464 -6.812 409 HA TYR 53 HA TYR 53 7.537 -6.424 -8.697 410 HB2 TYR 53 HB2 TYR 53 9.786 -6.559 -6.797 411 HB3 TYR 53 HB3 TYR 53 8.717 -7.957 -6.776 412 HD1 TYR 53 HD2 TYR 53 10.999 -5.956 -8.868 413 HD2 TYR 53 HD1 TYR 53 8.676 -9.510 -8.594 414 HE1 TYR 53 HE2 TYR 53 12.134 -6.844 -10.861 415 HE2 TYR 53 HE1 TYR 53 9.805 -10.408 -10.586 416 HH TYR 53 HH TYR 53 12.621 -9.175 -11.815 417 H CYS 54 H CYS 54 5.462 -6.752 -8.251 418 HA CYS 54 HA CYS 54 4.658 -7.730 -5.688 419 HB2 CYS 54 HB2 CYS 54 4.241 -4.901 -6.349 420 HB3 CYS 54 HB3 CYS 54 2.771 -5.740 -5.863 421 H GLU 55 H GLU 55 2.818 -5.898 -8.112 422 HA GLU 55 HA GLU 55 1.154 -6.500 -9.541 423 HB2 GLU 55 HB2 GLU 55 3.092 -8.528 -9.757 424 HB3 GLU 55 HB3 GLU 55 1.543 -9.354 -9.652 425 HG2 GLU 55 HG2 GLU 55 0.960 -7.413 -11.441 426 HG3 GLU 55 HG3 GLU 55 2.662 -7.697 -11.799 427 H TYR 56 H TYR 56 -0.936 -7.481 -9.595 428 HA TYR 56 HA TYR 56 -1.844 -8.274 -6.934 429 HB2 TYR 56 HB2 TYR 56 -2.896 -6.543 -8.802 430 HB3 TYR 56 HB3 TYR 56 -3.885 -7.984 -9.016 431 HD1 TYR 56 HD2 TYR 56 -2.479 -5.997 -6.170 432 HD2 TYR 56 HD1 TYR 56 -5.835 -8.043 -7.800 433 HE1 TYR 56 HE2 TYR 56 -3.812 -5.367 -4.201 434 HE2 TYR 56 HE1 TYR 56 -7.178 -7.417 -5.836 435 HH TYR 56 HH TYR 56 -6.287 -6.706 -3.149 Start of MODEL 5 1 H1 GLN 1 H GLN 1 2.671 2.422 1.444 2 HA GLN 1 HA GLN 1 2.339 0.964 -0.633 3 HB2 GLN 1 HB2 GLN 1 1.458 3.513 -1.501 4 HB3 GLN 1 HB3 GLN 1 2.903 3.125 -2.425 5 HG2 GLN 1 HG2 GLN 1 1.620 1.925 -3.766 6 HG3 GLN 1 HG3 GLN 1 1.413 0.783 -2.440 7 HE21 GLN 1 HE21 GLN 1 -0.657 0.207 -2.961 8 HE22 GLN 1 HE22 GLN 1 -2.004 1.280 -2.818 9 H ASP 2 H ASP 2 4.155 1.283 -2.559 10 HA ASP 2 HA ASP 2 6.382 1.094 -2.985 11 HB2 ASP 2 HB2 ASP 2 6.430 3.473 -1.122 12 HB3 ASP 2 HB3 ASP 2 7.836 2.913 -2.023 13 H LYS 3 H LYS 3 5.479 -0.722 -1.150 14 HA LYS 3 HA LYS 3 7.488 -0.777 0.986 15 HB2 LYS 3 HB2 LYS 3 5.260 -2.767 0.677 16 HB3 LYS 3 HB3 LYS 3 6.118 -2.292 2.137 17 HG2 LYS 3 HG2 LYS 3 4.954 0.058 1.293 18 HG3 LYS 3 HG3 LYS 3 3.735 -1.164 0.925 19 HD2 LYS 3 HD2 LYS 3 3.137 -0.978 3.073 20 HD3 LYS 3 HD3 LYS 3 4.601 -1.899 3.429 21 HE2 LYS 3 HE2 LYS 3 4.410 1.110 3.305 22 HE3 LYS 3 HE3 LYS 3 4.428 0.148 4.783 23 HZ1 LYS 3 HZ1 LYS 3 6.617 0.862 4.487 24 HZ2 LYS 3 HZ2 LYS 3 6.611 0.537 2.827 25 HZ3 LYS 3 HZ3 LYS 3 6.631 -0.739 3.938 26 H CYS 4 H CYS 4 6.720 -2.169 -2.043 27 HA CYS 4 HA CYS 4 8.833 -4.186 -1.652 28 HB2 CYS 4 HB2 CYS 4 7.576 -5.499 -3.457 29 HB3 CYS 4 HB3 CYS 4 6.861 -5.462 -1.849 30 H LYS 5 H LYS 5 10.398 -4.310 -3.181 31 HA LYS 5 HA LYS 5 10.134 -3.246 -5.808 32 HB2 LYS 5 HB2 LYS 5 11.857 -1.454 -5.554 33 HB3 LYS 5 HB3 LYS 5 10.337 -1.106 -4.741 34 HG2 LYS 5 HG2 LYS 5 11.905 -0.459 -3.180 35 HG3 LYS 5 HG3 LYS 5 11.499 -2.095 -2.654 36 HD2 LYS 5 HD2 LYS 5 13.603 -2.768 -2.929 37 HD3 LYS 5 HD3 LYS 5 13.636 -2.153 -4.584 38 HE2 LYS 5 HE2 LYS 5 14.260 0.034 -3.818 39 HE3 LYS 5 HE3 LYS 5 14.038 -0.441 -2.135 40 HZ1 LYS 5 HZ1 LYS 5 15.922 -1.803 -2.205 41 HZ2 LYS 5 HZ2 LYS 5 16.395 -0.391 -3.007 42 HZ3 LYS 5 HZ3 LYS 5 16.005 -1.778 -3.895 43 H LYS 6 H LYS 6 12.419 -3.106 -6.860 44 HA LYS 6 HA LYS 6 14.341 -4.935 -5.668 45 HB2 LYS 6 HB2 LYS 6 12.880 -5.503 -8.245 46 HB3 LYS 6 HB3 LYS 6 14.418 -6.255 -7.842 47 HG2 LYS 6 HG2 LYS 6 13.324 -7.094 -5.733 48 HG3 LYS 6 HG3 LYS 6 11.790 -6.547 -6.414 49 HD2 LYS 6 HD2 LYS 6 11.699 -8.619 -7.284 50 HD3 LYS 6 HD3 LYS 6 12.814 -7.971 -8.490 51 HE2 LYS 6 HE2 LYS 6 14.599 -9.088 -7.638 52 HE3 LYS 6 HE3 LYS 6 14.002 -8.997 -5.981 53 HZ1 LYS 6 HZ1 LYS 6 13.744 -11.210 -6.440 54 HZ2 LYS 6 HZ2 LYS 6 13.379 -10.961 -8.073 55 HZ3 LYS 6 HZ3 LYS 6 12.217 -10.635 -6.887 56 H VAL 7 H VAL 7 16.178 -3.837 -5.807 57 HA VAL 7 HA VAL 7 16.627 -1.825 -7.797 58 HB VAL 7 HB VAL 7 17.529 -1.658 -5.489 59 HG11 VAL 7 HG11 VAL 7 18.260 -4.211 -5.702 60 HG12 VAL 7 HG12 VAL 7 19.785 -3.455 -6.167 61 HG13 VAL 7 HG13 VAL 7 19.057 -3.086 -4.603 62 HG21 VAL 7 HG21 VAL 7 19.234 -0.353 -6.183 63 HG22 VAL 7 HG22 VAL 7 19.972 -1.638 -7.139 64 HG23 VAL 7 HG23 VAL 7 18.601 -0.737 -7.784 65 H TYR 8 H TYR 8 18.006 -1.855 -9.535 66 HA TYR 8 HA TYR 8 19.020 -4.508 -10.316 67 HB2 TYR 8 HB2 TYR 8 17.165 -3.386 -11.702 68 HB3 TYR 8 HB3 TYR 8 18.417 -2.273 -12.242 69 HD1 TYR 8 HD1 TYR 8 18.672 -5.933 -11.616 70 HD2 TYR 8 HD2 TYR 8 18.707 -2.803 -14.497 71 HE1 TYR 8 HE1 TYR 8 19.350 -7.543 -13.348 72 HE2 TYR 8 HE2 TYR 8 19.384 -4.404 -16.237 73 HH TYR 8 HH TYR 8 20.646 -6.719 -16.217 74 H GLU 9 H GLU 9 21.039 -4.230 -9.315 75 HA GLU 9 HA GLU 9 22.712 -2.002 -9.627 76 HB2 GLU 9 HB2 GLU 9 23.660 -4.845 -9.279 77 HB3 GLU 9 HB3 GLU 9 24.471 -3.371 -8.769 78 HG2 GLU 9 HG2 GLU 9 22.506 -2.979 -7.229 79 HG3 GLU 9 HG3 GLU 9 22.010 -4.629 -7.601 80 H ASN 10 H ASN 10 21.817 -4.425 -11.842 81 HA ASN 10 HA ASN 10 24.183 -4.071 -13.508 82 HB2 ASN 10 HB2 ASN 10 21.760 -5.858 -13.722 83 HB3 ASN 10 HB3 ASN 10 22.959 -5.729 -15.006 84 HD21 ASN 10 HD21 ASN 10 22.240 -6.963 -11.875 85 HD22 ASN 10 HD22 ASN 10 23.677 -7.903 -11.678 86 H TYR 11 H TYR 11 23.006 -1.689 -13.294 87 HA TYR 11 HA TYR 11 22.040 -1.219 -15.995 88 HB2 TYR 11 HB2 TYR 11 20.151 -1.497 -14.067 89 HB3 TYR 11 HB3 TYR 11 20.475 0.229 -13.950 90 HD1 TYR 11 HD1 TYR 11 19.614 -2.427 -16.416 91 HD2 TYR 11 HD2 TYR 11 19.452 1.709 -15.432 92 HE1 TYR 11 HE1 TYR 11 18.156 -2.029 -18.356 93 HE2 TYR 11 HE2 TYR 11 17.992 2.119 -17.368 94 HH TYR 11 HH TYR 11 17.261 1.209 -19.347 95 HA PRO 12 HA PRO 12 24.710 2.260 -15.554 96 HB2 PRO 12 HB2 PRO 12 23.833 3.709 -17.676 97 HB3 PRO 12 HB3 PRO 12 24.829 2.259 -17.849 98 HG2 PRO 12 HG2 PRO 12 21.865 2.565 -18.134 99 HG3 PRO 12 HG3 PRO 12 22.997 1.649 -19.145 100 HD2 PRO 12 HD2 PRO 12 21.443 0.473 -17.265 101 HD3 PRO 12 HD3 PRO 12 23.059 -0.131 -17.682 102 H VAL 13 H VAL 13 24.535 3.847 -14.112 103 HA VAL 13 HA VAL 13 22.073 4.897 -13.221 104 HB VAL 13 HB VAL 13 23.328 6.358 -11.817 105 HG11 VAL 13 HG11 VAL 13 24.567 4.821 -10.594 106 HG12 VAL 13 HG12 VAL 13 23.480 3.792 -11.528 107 HG13 VAL 13 HG13 VAL 13 25.156 3.997 -12.037 108 HG21 VAL 13 HG21 VAL 13 25.472 5.973 -13.858 109 HG22 VAL 13 HG22 VAL 13 24.875 7.461 -13.123 110 HG23 VAL 13 HG23 VAL 13 25.913 6.375 -12.198 111 H SER 14 H SER 14 24.084 5.718 -15.861 112 HA SER 14 HA SER 14 23.466 8.469 -16.099 113 HB2 SER 14 HB2 SER 14 24.975 6.534 -17.553 114 HB3 SER 14 HB3 SER 14 23.894 7.345 -18.686 115 HG SER 14 HG SER 14 24.943 9.170 -18.401 116 H LYS 15 H LYS 15 22.144 5.625 -17.794 117 HA LYS 15 HA LYS 15 20.171 6.972 -19.242 118 HB2 LYS 15 HB2 LYS 15 20.806 4.204 -18.565 119 HB3 LYS 15 HB3 LYS 15 19.077 4.481 -18.729 120 HG2 LYS 15 HG2 LYS 15 19.696 5.638 -20.947 121 HG3 LYS 15 HG3 LYS 15 21.237 4.793 -20.774 122 HD2 LYS 15 HD2 LYS 15 19.089 2.971 -20.264 123 HD3 LYS 15 HD3 LYS 15 18.809 3.791 -21.802 124 HE2 LYS 15 HE2 LYS 15 21.386 3.239 -22.123 125 HE3 LYS 15 HE3 LYS 15 20.992 1.946 -20.993 126 HZ1 LYS 15 HZ1 LYS 15 19.611 2.462 -23.572 127 HZ2 LYS 15 HZ2 LYS 15 19.245 1.215 -22.489 128 HZ3 LYS 15 HZ3 LYS 15 20.737 1.231 -23.286 129 H CYS 16 H CYS 16 20.340 6.175 -15.904 130 HA CYS 16 HA CYS 16 17.529 6.217 -15.375 131 HB2 CYS 16 HB2 CYS 16 20.021 6.112 -13.760 132 HB3 CYS 16 HB3 CYS 16 18.579 6.729 -12.960 133 H GLN 17 H GLN 17 20.166 8.541 -14.794 134 HA GLN 17 HA GLN 17 18.517 10.602 -13.809 135 HB2 GLN 17 HB2 GLN 17 21.245 10.686 -15.101 136 HB3 GLN 17 HB3 GLN 17 20.471 12.085 -14.367 137 HG2 GLN 17 HG2 GLN 17 21.286 11.498 -12.403 138 HG3 GLN 17 HG3 GLN 17 20.377 9.989 -12.478 139 HE21 GLN 17 HE21 GLN 17 21.996 8.862 -11.405 140 HE22 GLN 17 HE22 GLN 17 23.487 8.441 -12.170 141 H LEU 18 H LEU 18 18.923 9.379 -16.943 142 HA LEU 18 HA LEU 18 18.513 11.733 -18.463 143 HB2 LEU 18 HB2 LEU 18 18.504 8.832 -18.938 144 HB3 LEU 18 HB3 LEU 18 17.491 9.769 -20.034 145 HG LEU 18 HG LEU 18 20.380 10.458 -19.586 146 HD11 LEU 18 HD11 LEU 18 21.031 8.614 -20.625 147 HD12 LEU 18 HD12 LEU 18 20.099 9.111 -22.037 148 HD13 LEU 18 HD13 LEU 18 19.359 8.084 -20.809 149 HD21 LEU 18 HD21 LEU 18 20.187 11.718 -21.531 150 HD22 LEU 18 HD22 LEU 18 18.649 11.998 -20.714 151 HD23 LEU 18 HD23 LEU 18 18.738 10.861 -22.060 152 H ARG 19 H ARG 19 16.814 12.861 -17.461 153 HA ARG 19 HA ARG 19 14.255 11.758 -16.984 154 HB2 ARG 19 HB2 ARG 19 15.040 14.644 -17.435 155 HB3 ARG 19 HB3 ARG 19 13.514 14.094 -16.756 156 HG2 ARG 19 HG2 ARG 19 15.948 13.132 -15.402 157 HG3 ARG 19 HG3 ARG 19 15.615 14.861 -15.278 158 HD2 ARG 19 HD2 ARG 19 13.420 14.415 -14.380 159 HD3 ARG 19 HD3 ARG 19 13.636 12.683 -14.623 160 HE ARG 19 HE ARG 19 14.809 12.603 -12.666 161 HH11 ARG 19 HH11 ARG 19 14.688 15.903 -13.769 162 HH12 ARG 19 HH12 ARG 19 15.421 16.546 -12.337 163 HH21 ARG 19 HH21 ARG 19 15.775 13.437 -10.776 164 HH22 ARG 19 HH22 ARG 19 16.040 15.142 -10.635 165 H ILE 20 H ILE 20 15.805 12.931 -19.827 166 HA ILE 20 HA ILE 20 13.394 13.458 -21.301 167 HB ILE 20 HB ILE 20 16.124 12.984 -22.482 168 HG12 ILE 20 HG12 ILE 20 14.993 15.554 -21.354 169 HG13 ILE 20 HG13 ILE 20 16.334 14.634 -20.681 170 HG21 ILE 20 HG21 ILE 20 15.349 14.323 -24.296 171 HG22 ILE 20 HG22 ILE 20 14.118 13.104 -23.972 172 HG23 ILE 20 HG23 ILE 20 13.883 14.763 -23.421 173 HD11 ILE 20 HD11 ILE 20 16.404 16.689 -22.612 174 HD12 ILE 20 HD12 ILE 20 17.747 15.753 -21.954 175 HD13 ILE 20 HD13 ILE 20 16.911 15.197 -23.403 176 H ALA 21 H ALA 21 15.507 10.733 -20.787 177 HA ALA 21 HA ALA 21 13.625 9.036 -22.237 178 HB1 ALA 21 HB1 ALA 21 15.560 9.739 -23.752 179 HB2 ALA 21 HB2 ALA 21 16.566 8.705 -22.737 180 HB3 ALA 21 HB3 ALA 21 15.208 8.015 -23.626 181 H ASN 22 H ASN 22 13.082 8.433 -20.051 182 HA ASN 22 HA ASN 22 15.084 7.090 -18.452 183 HB2 ASN 22 HB2 ASN 22 12.794 8.448 -17.823 184 HB3 ASN 22 HB3 ASN 22 12.260 6.775 -17.682 185 HD21 ASN 22 HD21 ASN 22 12.134 6.525 -15.541 186 HD22 ASN 22 HD22 ASN 22 13.448 6.743 -14.441 187 H GLN 23 H GLN 23 15.684 5.353 -19.797 188 HA GLN 23 HA GLN 23 13.731 3.462 -20.724 189 HB2 GLN 23 HB2 GLN 23 16.495 4.006 -21.198 190 HB3 GLN 23 HB3 GLN 23 16.331 2.315 -20.741 191 HG2 GLN 23 HG2 GLN 23 14.481 3.436 -22.783 192 HG3 GLN 23 HG3 GLN 23 16.143 3.070 -23.240 193 HE21 GLN 23 HE21 GLN 23 13.190 1.875 -23.413 194 HE22 GLN 23 HE22 GLN 23 13.506 0.180 -23.303 195 H CYS 24 H CYS 24 14.902 4.092 -17.731 196 HA CYS 24 HA CYS 24 15.514 1.527 -16.716 197 HB2 CYS 24 HB2 CYS 24 15.318 4.184 -15.706 198 HB3 CYS 24 HB3 CYS 24 14.360 3.137 -14.664 199 H ASN 25 H ASN 25 12.557 3.480 -16.283 200 HA ASN 25 HA ASN 25 11.021 1.487 -15.087 201 HB2 ASN 25 HB2 ASN 25 9.103 2.856 -15.572 202 HB3 ASN 25 HB3 ASN 25 10.450 3.926 -15.192 203 HD21 ASN 25 HD21 ASN 25 11.097 5.384 -16.659 204 HD22 ASN 25 HD22 ASN 25 10.424 5.550 -18.241 205 H TYR 26 H TYR 26 11.522 2.255 -18.491 206 HA TYR 26 HA TYR 26 9.574 0.433 -19.482 207 HB2 TYR 26 HB2 TYR 26 11.046 2.461 -20.582 208 HB3 TYR 26 HB3 TYR 26 11.840 1.041 -21.254 209 HD1 TYR 26 HD2 TYR 26 8.336 2.210 -20.641 210 HD2 TYR 26 HD1 TYR 26 11.081 0.359 -23.314 211 HE1 TYR 26 HE2 TYR 26 6.556 2.020 -22.328 212 HE2 TYR 26 HE1 TYR 26 9.309 0.165 -25.009 213 HH TYR 26 HH TYR 26 6.646 1.841 -25.084 214 H ASP 27 H ASP 27 12.992 0.210 -18.725 215 HA ASP 27 HA ASP 27 13.433 -2.311 -19.964 216 HB2 ASP 27 HB2 ASP 27 15.382 -1.067 -19.576 217 HB3 ASP 27 HB3 ASP 27 14.924 -0.692 -17.917 218 H CYS 28 H CYS 28 12.672 -1.320 -16.647 219 HA CYS 28 HA CYS 28 12.875 -3.764 -15.367 220 HB2 CYS 28 HB2 CYS 28 11.167 -1.344 -14.908 221 HB3 CYS 28 HB3 CYS 28 10.922 -2.782 -13.923 222 H LYS 29 H LYS 29 9.880 -2.339 -16.686 223 HA LYS 29 HA LYS 29 8.304 -4.638 -16.341 224 HB2 LYS 29 HB2 LYS 29 7.915 -2.498 -18.438 225 HB3 LYS 29 HB3 LYS 29 6.684 -3.557 -17.763 226 HG2 LYS 29 HG2 LYS 29 6.518 -2.365 -15.827 227 HG3 LYS 29 HG3 LYS 29 8.190 -1.803 -15.900 228 HD2 LYS 29 HD2 LYS 29 6.773 0.077 -16.305 229 HD3 LYS 29 HD3 LYS 29 7.532 -0.361 -17.838 230 HE2 LYS 29 HE2 LYS 29 4.865 -1.504 -17.133 231 HE3 LYS 29 HE3 LYS 29 4.969 0.154 -17.723 232 HZ1 LYS 29 HZ1 LYS 29 6.530 -1.340 -19.428 233 HZ2 LYS 29 HZ2 LYS 29 5.003 -0.692 -19.756 234 HZ3 LYS 29 HZ3 LYS 29 5.142 -2.276 -19.178 235 H LEU 30 H LEU 30 10.490 -3.666 -18.878 236 HA LEU 30 HA LEU 30 9.653 -5.268 -20.978 237 HB2 LEU 30 HB2 LEU 30 11.898 -3.701 -20.357 238 HB3 LEU 30 HB3 LEU 30 12.521 -5.290 -20.796 239 HG LEU 30 HG LEU 30 10.610 -4.603 -22.753 240 HD11 LEU 30 HD11 LEU 30 10.640 -2.318 -22.318 241 HD12 LEU 30 HD12 LEU 30 11.839 -2.509 -23.597 242 HD13 LEU 30 HD13 LEU 30 12.359 -2.316 -21.923 243 HD21 LEU 30 HD21 LEU 30 12.575 -5.988 -23.100 244 HD22 LEU 30 HD22 LEU 30 13.627 -4.602 -22.815 245 HD23 LEU 30 HD23 LEU 30 12.571 -4.632 -24.228 246 H ASP 31 H ASP 31 12.026 -6.078 -18.444 247 HA ASP 31 HA ASP 31 11.669 -8.917 -19.129 248 HB2 ASP 31 HB2 ASP 31 13.985 -7.310 -18.347 249 HB3 ASP 31 HB3 ASP 31 13.830 -8.797 -17.414 250 H LYS 32 H LYS 32 12.590 -7.125 -16.189 251 HA LYS 32 HA LYS 32 11.727 -8.943 -14.324 252 HB2 LYS 32 HB2 LYS 32 11.476 -5.948 -14.015 253 HB3 LYS 32 HB3 LYS 32 11.661 -7.134 -12.729 254 HG2 LYS 32 HG2 LYS 32 13.866 -7.624 -14.250 255 HG3 LYS 32 HG3 LYS 32 13.673 -5.880 -14.439 256 HD2 LYS 32 HD2 LYS 32 13.581 -5.652 -11.985 257 HD3 LYS 32 HD3 LYS 32 13.847 -7.390 -11.831 258 HE2 LYS 32 HE2 LYS 32 16.003 -7.164 -12.954 259 HE3 LYS 32 HE3 LYS 32 15.733 -5.432 -13.142 260 HZ1 LYS 32 HZ1 LYS 32 16.438 -5.062 -11.085 261 HZ2 LYS 32 HZ2 LYS 32 16.965 -6.668 -11.034 262 HZ3 LYS 32 HZ3 LYS 32 15.439 -6.260 -10.430 263 H HIS 33 H HIS 33 9.821 -6.681 -16.184 264 HA HIS 33 HA HIS 33 7.576 -6.466 -16.492 265 HB2 HIS 33 HB2 HIS 33 7.893 -9.091 -16.410 266 HB3 HIS 33 HB3 HIS 33 7.006 -8.928 -14.897 267 HD1 HIS 33 HD1 HIS 33 4.716 -9.713 -15.434 268 HD2 HIS 33 HD2 HIS 33 6.204 -7.146 -18.342 269 HE1 HIS 33 HE1 HIS 33 2.814 -9.338 -17.036 270 H ALA 34 H ALA 34 8.861 -5.300 -14.191 271 HA ALA 34 HA ALA 34 7.399 -5.585 -11.822 272 HB1 ALA 34 HB1 ALA 34 8.979 -4.194 -11.131 273 HB2 ALA 34 HB2 ALA 34 9.464 -3.897 -12.801 274 HB3 ALA 34 HB3 ALA 34 8.231 -2.886 -12.047 275 H ARG 35 H ARG 35 6.413 -3.186 -11.050 276 HA ARG 35 HA ARG 35 3.882 -3.121 -12.427 277 HB2 ARG 35 HB2 ARG 35 4.664 -1.212 -10.248 278 HB3 ARG 35 HB3 ARG 35 3.080 -1.879 -10.619 279 HG2 ARG 35 HG2 ARG 35 5.395 -3.238 -9.277 280 HG3 ARG 35 HG3 ARG 35 3.789 -2.911 -8.624 281 HD2 ARG 35 HD2 ARG 35 4.614 -4.941 -10.672 282 HD3 ARG 35 HD3 ARG 35 3.752 -5.190 -9.154 283 HE ARG 35 HE ARG 35 2.009 -3.690 -10.502 284 HH11 ARG 35 HH11 ARG 35 3.852 -6.478 -11.477 285 HH12 ARG 35 HH12 ARG 35 2.665 -7.027 -12.613 286 HH21 ARG 35 HH21 ARG 35 0.439 -4.402 -11.995 287 HH22 ARG 35 HH22 ARG 35 0.724 -5.845 -12.908 288 H SER 36 H SER 36 6.339 -0.660 -11.630 289 HA SER 36 HA SER 36 5.607 0.747 -14.106 290 HB2 SER 36 HB2 SER 36 6.376 2.757 -12.328 291 HB3 SER 36 HB3 SER 36 4.737 2.419 -12.885 292 HG SER 36 HG SER 36 5.637 2.255 -10.434 293 H GLY 37 H GLY 37 7.986 0.622 -11.453 294 HA2 GLY 37 HA2 GLY 37 10.294 0.349 -11.642 295 HA3 GLY 37 HA3 GLY 37 10.142 0.476 -13.388 296 H GLU 38 H GLU 38 11.708 1.859 -11.034 297 HA GLU 38 HA GLU 38 11.872 4.404 -12.379 298 HB2 GLU 38 HB2 GLU 38 10.670 4.128 -9.649 299 HB3 GLU 38 HB3 GLU 38 11.602 5.564 -10.048 300 HG2 GLU 38 HG2 GLU 38 10.060 5.722 -12.105 301 HG3 GLU 38 HG3 GLU 38 9.021 4.610 -11.216 302 H CYS 39 H CYS 39 13.581 5.805 -11.368 303 HA CYS 39 HA CYS 39 15.713 4.096 -10.269 304 HB2 CYS 39 HB2 CYS 39 15.936 6.630 -11.907 305 HB3 CYS 39 HB3 CYS 39 17.296 5.713 -11.266 306 H PHE 40 H PHE 40 16.769 4.685 -8.440 307 HA PHE 40 HA PHE 40 16.416 7.334 -7.315 308 HB2 PHE 40 HB2 PHE 40 15.458 4.871 -5.840 309 HB3 PHE 40 HB3 PHE 40 15.551 6.495 -5.165 310 HD1 PHE 40 HD2 PHE 40 14.124 8.307 -6.200 311 HD2 PHE 40 HD1 PHE 40 13.579 4.169 -7.031 312 HE1 PHE 40 HE2 PHE 40 11.847 8.773 -7.006 313 HE2 PHE 40 HE1 PHE 40 11.301 4.628 -7.840 314 HZ PHE 40 HZ PHE 40 10.432 6.932 -7.826 315 H TYR 41 H TYR 41 17.781 7.701 -5.430 316 HA TYR 41 HA TYR 41 20.329 6.424 -5.741 317 HB2 TYR 41 HB2 TYR 41 19.330 8.540 -3.831 318 HB3 TYR 41 HB3 TYR 41 20.991 7.957 -3.847 319 HD1 TYR 41 HD2 TYR 41 18.433 9.767 -5.800 320 HD2 TYR 41 HD1 TYR 41 22.541 8.699 -5.496 321 HE1 TYR 41 HE2 TYR 41 18.982 11.401 -7.555 322 HE2 TYR 41 HE1 TYR 41 23.101 10.331 -7.249 323 HH TYR 41 HH TYR 41 20.613 12.032 -9.038 324 H ASP 42 H ASP 42 21.514 5.334 -4.099 325 HA ASP 42 HA ASP 42 19.784 3.867 -2.226 326 HB2 ASP 42 HB2 ASP 42 21.606 2.154 -2.231 327 HB3 ASP 42 HB3 ASP 42 20.850 2.393 -3.804 328 H GLU 43 H GLU 43 21.503 2.857 -0.446 329 HA GLU 43 HA GLU 43 21.950 4.960 1.341 330 HB2 GLU 43 HB2 GLU 43 23.370 2.299 1.421 331 HB3 GLU 43 HB3 GLU 43 22.983 3.351 2.775 332 HG2 GLU 43 HG2 GLU 43 20.526 2.837 1.632 333 HG3 GLU 43 HG3 GLU 43 21.384 1.303 1.493 334 H LYS 44 H LYS 44 23.848 3.816 -1.264 335 HA LYS 44 HA LYS 44 26.280 5.089 -0.246 336 HB2 LYS 44 HB2 LYS 44 25.682 3.127 -2.415 337 HB3 LYS 44 HB3 LYS 44 27.105 4.147 -2.582 338 HG2 LYS 44 HG2 LYS 44 26.797 2.830 0.029 339 HG3 LYS 44 HG3 LYS 44 27.089 1.756 -1.342 340 HD2 LYS 44 HD2 LYS 44 29.248 2.226 -0.774 341 HD3 LYS 44 HD3 LYS 44 28.950 3.565 -1.884 342 HE2 LYS 44 HE2 LYS 44 29.444 4.987 -0.252 343 HE3 LYS 44 HE3 LYS 44 28.053 4.396 0.655 344 HZ1 LYS 44 HZ1 LYS 44 29.607 2.556 1.421 345 HZ2 LYS 44 HZ2 LYS 44 29.860 4.096 2.072 346 HZ3 LYS 44 HZ3 LYS 44 30.870 3.522 0.842 347 H ARG 45 H ARG 45 23.715 6.382 -1.368 348 HA ARG 45 HA ARG 45 23.166 8.225 -2.583 349 HB2 ARG 45 HB2 ARG 45 26.117 8.811 -2.760 350 HB3 ARG 45 HB3 ARG 45 24.781 9.955 -2.769 351 HG2 ARG 45 HG2 ARG 45 25.516 8.235 -0.411 352 HG3 ARG 45 HG3 ARG 45 26.064 9.897 -0.645 353 HD2 ARG 45 HD2 ARG 45 24.108 10.743 0.026 354 HD3 ARG 45 HD3 ARG 45 23.186 9.603 -0.953 355 HE ARG 45 HE ARG 45 24.280 8.325 1.331 356 HH11 ARG 45 HH11 ARG 45 21.740 10.484 0.326 357 HH12 ARG 45 HH12 ARG 45 20.678 10.049 1.625 358 HH21 ARG 45 HH21 ARG 45 22.891 7.744 3.045 359 HH22 ARG 45 HH22 ARG 45 21.335 8.491 3.171 360 H ASN 46 H ASN 46 23.691 5.729 -3.969 361 HA ASN 46 HA ASN 46 24.567 6.764 -6.585 362 HB2 ASN 46 HB2 ASN 46 24.516 3.870 -5.710 363 HB3 ASN 46 HB3 ASN 46 25.221 4.521 -7.187 364 HD21 ASN 46 HD21 ASN 46 26.498 2.939 -5.153 365 HD22 ASN 46 HD22 ASN 46 27.799 3.888 -4.527 366 H LEU 47 H LEU 47 23.090 6.892 -8.143 367 HA LEU 47 HA LEU 47 20.385 6.113 -7.656 368 HB2 LEU 47 HB2 LEU 47 21.771 7.832 -9.431 369 HB3 LEU 47 HB3 LEU 47 20.818 6.714 -10.407 370 HG LEU 47 HG LEU 47 19.608 8.306 -8.161 371 HD11 LEU 47 HD11 LEU 47 19.355 9.166 -10.999 372 HD12 LEU 47 HD12 LEU 47 20.791 9.634 -10.090 373 HD13 LEU 47 HD13 LEU 47 19.192 10.104 -9.514 374 HD21 LEU 47 HD21 LEU 47 18.219 7.371 -10.631 375 HD22 LEU 47 HD22 LEU 47 17.571 7.665 -9.017 376 HD23 LEU 47 HD23 LEU 47 18.544 6.226 -9.329 377 H GLN 48 H GLN 48 19.528 4.180 -7.988 378 HA GLN 48 HA GLN 48 20.685 2.465 -10.084 379 HB2 GLN 48 HB2 GLN 48 19.680 1.637 -7.357 380 HB3 GLN 48 HB3 GLN 48 20.103 0.513 -8.641 381 HG2 GLN 48 HG2 GLN 48 22.400 1.598 -8.622 382 HG3 GLN 48 HG3 GLN 48 21.907 2.351 -7.106 383 HE21 GLN 48 HE21 GLN 48 21.547 1.050 -5.292 384 HE22 GLN 48 HE22 GLN 48 22.179 -0.555 -5.187 385 H CYS 49 H CYS 49 19.204 0.894 -11.006 386 HA CYS 49 HA CYS 49 16.612 2.055 -11.467 387 HB2 CYS 49 HB2 CYS 49 18.229 0.715 -13.092 388 HB3 CYS 49 HB3 CYS 49 17.315 -0.661 -12.482 389 H ILE 50 H ILE 50 15.467 1.892 -9.550 390 HA ILE 50 HA ILE 50 15.102 -0.729 -8.335 391 HB ILE 50 HB ILE 50 14.161 2.024 -7.552 392 HG12 ILE 50 HG12 ILE 50 15.584 0.564 -5.534 393 HG13 ILE 50 HG13 ILE 50 16.504 0.514 -7.035 394 HG21 ILE 50 HG21 ILE 50 13.482 -0.636 -6.317 395 HG22 ILE 50 HG22 ILE 50 13.286 0.906 -5.485 396 HG23 ILE 50 HG23 ILE 50 12.369 0.575 -6.955 397 HD11 ILE 50 HD11 ILE 50 16.040 2.717 -5.194 398 HD12 ILE 50 HD12 ILE 50 17.317 2.479 -6.387 399 HD13 ILE 50 HD13 ILE 50 15.760 3.142 -6.882 400 H CYS 51 H CYS 51 13.570 -2.050 -9.032 401 HA CYS 51 HA CYS 51 11.275 -0.960 -10.483 402 HB2 CYS 51 HB2 CYS 51 11.984 -3.874 -10.159 403 HB3 CYS 51 HB3 CYS 51 10.950 -3.140 -11.381 404 H ASP 52 H ASP 52 9.187 -2.293 -10.134 405 HA ASP 52 HA ASP 52 8.759 -2.560 -7.230 406 HB2 ASP 52 HB2 ASP 52 7.590 -0.630 -8.273 407 HB3 ASP 52 HB3 ASP 52 6.731 -1.752 -9.324 408 H TYR 53 H TYR 53 8.248 -4.520 -6.534 409 HA TYR 53 HA TYR 53 7.026 -6.411 -8.437 410 HB2 TYR 53 HB2 TYR 53 9.348 -6.696 -6.634 411 HB3 TYR 53 HB3 TYR 53 8.226 -8.053 -6.636 412 HD1 TYR 53 HD2 TYR 53 10.513 -6.048 -8.719 413 HD2 TYR 53 HD1 TYR 53 8.063 -9.521 -8.517 414 HE1 TYR 53 HE2 TYR 53 11.544 -6.888 -10.787 415 HE2 TYR 53 HE1 TYR 53 9.089 -10.372 -10.584 416 HH TYR 53 HH TYR 53 11.903 -9.239 -11.841 417 H CYS 54 H CYS 54 4.960 -6.646 -7.893 418 HA CYS 54 HA CYS 54 4.240 -7.666 -5.322 419 HB2 CYS 54 HB2 CYS 54 3.926 -4.799 -5.879 420 HB3 CYS 54 HB3 CYS 54 2.450 -5.585 -5.328 421 H GLU 55 H GLU 55 2.388 -5.670 -7.606 422 HA GLU 55 HA GLU 55 0.331 -7.641 -7.812 423 HB2 GLU 55 HB2 GLU 55 0.592 -4.902 -8.390 424 HB3 GLU 55 HB3 GLU 55 0.235 -5.680 -9.926 425 HG2 GLU 55 HG2 GLU 55 -1.489 -6.766 -7.944 426 HG3 GLU 55 HG3 GLU 55 -1.542 -5.008 -7.838 427 H TYR 56 H TYR 56 -0.418 -7.680 -10.431 428 HA TYR 56 HA TYR 56 1.854 -8.672 -11.976 429 HB2 TYR 56 HB2 TYR 56 0.391 -10.466 -10.556 430 HB3 TYR 56 HB3 TYR 56 -0.516 -10.433 -12.064 431 HD1 TYR 56 HD1 TYR 56 2.995 -10.741 -10.828 432 HD2 TYR 56 HD2 TYR 56 0.139 -11.832 -13.787 433 HE1 TYR 56 HE1 TYR 56 4.637 -12.268 -11.841 434 HE2 TYR 56 HE2 TYR 56 1.772 -13.362 -14.807 435 HH TYR 56 HH TYR 56 3.771 -14.556 -14.256 Start of MODEL 6 1 H1 GLN 1 H GLN 1 0.844 -1.102 -0.045 2 HA GLN 1 HA GLN 1 1.135 -1.475 -2.402 3 HB2 GLN 1 HB2 GLN 1 0.085 0.965 -1.387 4 HB3 GLN 1 HB3 GLN 1 0.963 1.336 -2.865 5 HG2 GLN 1 HG2 GLN 1 -0.398 -0.052 -4.161 6 HG3 GLN 1 HG3 GLN 1 -1.036 -0.891 -2.748 7 HE21 GLN 1 HE21 GLN 1 -2.441 0.454 -4.923 8 HE22 GLN 1 HE22 GLN 1 -3.433 1.656 -4.180 9 H ASP 2 H ASP 2 3.303 0.924 -1.014 10 HA ASP 2 HA ASP 2 5.104 0.526 -3.313 11 HB2 ASP 2 HB2 ASP 2 5.092 2.990 -1.576 12 HB3 ASP 2 HB3 ASP 2 5.850 2.770 -3.150 13 H LYS 3 H LYS 3 4.938 -1.040 -0.861 14 HA LYS 3 HA LYS 3 7.424 -0.308 0.512 15 HB2 LYS 3 HB2 LYS 3 6.754 -1.905 2.229 16 HB3 LYS 3 HB3 LYS 3 5.463 -0.750 1.926 17 HG2 LYS 3 HG2 LYS 3 4.180 -2.342 0.748 18 HG3 LYS 3 HG3 LYS 3 5.538 -3.465 0.643 19 HD2 LYS 3 HD2 LYS 3 5.060 -2.844 3.388 20 HD3 LYS 3 HD3 LYS 3 3.535 -3.316 2.636 21 HE2 LYS 3 HE2 LYS 3 4.271 -5.393 3.143 22 HE3 LYS 3 HE3 LYS 3 5.134 -5.209 1.617 23 HZ1 LYS 3 HZ1 LYS 3 7.072 -4.445 2.869 24 HZ2 LYS 3 HZ2 LYS 3 6.612 -6.006 3.331 25 HZ3 LYS 3 HZ3 LYS 3 6.241 -4.687 4.323 26 H CYS 4 H CYS 4 6.718 -1.904 -2.155 27 HA CYS 4 HA CYS 4 8.768 -3.966 -1.686 28 HB2 CYS 4 HB2 CYS 4 7.520 -5.257 -3.533 29 HB3 CYS 4 HB3 CYS 4 6.811 -5.238 -1.922 30 H LYS 5 H LYS 5 10.370 -4.125 -3.172 31 HA LYS 5 HA LYS 5 10.180 -3.086 -5.817 32 HB2 LYS 5 HB2 LYS 5 11.622 -1.206 -5.679 33 HB3 LYS 5 HB3 LYS 5 10.420 -0.995 -4.413 34 HG2 LYS 5 HG2 LYS 5 12.634 -2.421 -3.332 35 HG3 LYS 5 HG3 LYS 5 13.232 -0.993 -4.181 36 HD2 LYS 5 HD2 LYS 5 11.082 0.018 -2.841 37 HD3 LYS 5 HD3 LYS 5 11.666 -1.204 -1.709 38 HE2 LYS 5 HE2 LYS 5 13.414 0.903 -2.968 39 HE3 LYS 5 HE3 LYS 5 12.650 1.073 -1.389 40 HZ1 LYS 5 HZ1 LYS 5 14.556 -1.077 -2.138 41 HZ2 LYS 5 HZ2 LYS 5 13.862 -0.848 -0.613 42 HZ3 LYS 5 HZ3 LYS 5 14.946 0.295 -1.228 43 H LYS 6 H LYS 6 12.442 -3.053 -6.863 44 HA LYS 6 HA LYS 6 14.321 -4.887 -5.599 45 HB2 LYS 6 HB2 LYS 6 12.897 -5.452 -8.198 46 HB3 LYS 6 HB3 LYS 6 14.409 -6.234 -7.756 47 HG2 LYS 6 HG2 LYS 6 13.241 -7.005 -5.650 48 HG3 LYS 6 HG3 LYS 6 11.739 -6.460 -6.401 49 HD2 LYS 6 HD2 LYS 6 11.631 -8.496 -7.316 50 HD3 LYS 6 HD3 LYS 6 12.932 -7.962 -8.383 51 HE2 LYS 6 HE2 LYS 6 14.306 -8.704 -6.146 52 HE3 LYS 6 HE3 LYS 6 12.976 -9.861 -6.149 53 HZ1 LYS 6 HZ1 LYS 6 13.616 -10.143 -8.619 54 HZ2 LYS 6 HZ2 LYS 6 14.550 -10.907 -7.435 55 HZ3 LYS 6 HZ3 LYS 6 15.098 -9.476 -8.151 56 H VAL 7 H VAL 7 16.181 -3.824 -5.713 57 HA VAL 7 HA VAL 7 16.716 -1.812 -7.660 58 HB VAL 7 HB VAL 7 18.547 -3.151 -5.667 59 HG11 VAL 7 HG11 VAL 7 19.037 -1.099 -7.745 60 HG12 VAL 7 HG12 VAL 7 19.771 -0.833 -6.162 61 HG13 VAL 7 HG13 VAL 7 20.125 -2.308 -7.063 62 HG21 VAL 7 HG21 VAL 7 17.787 -0.332 -5.349 63 HG22 VAL 7 HG22 VAL 7 16.465 -1.484 -5.161 64 HG23 VAL 7 HG23 VAL 7 17.903 -1.620 -4.149 65 H TYR 8 H TYR 8 18.015 -1.854 -9.447 66 HA TYR 8 HA TYR 8 18.929 -4.516 -10.318 67 HB2 TYR 8 HB2 TYR 8 17.069 -3.359 -11.631 68 HB3 TYR 8 HB3 TYR 8 18.291 -2.203 -12.146 69 HD1 TYR 8 HD2 TYR 8 18.723 -5.860 -11.682 70 HD2 TYR 8 HD1 TYR 8 18.420 -2.645 -14.452 71 HE1 TYR 8 HE2 TYR 8 19.380 -7.376 -13.505 72 HE2 TYR 8 HE1 TYR 8 19.075 -4.151 -16.282 73 HH TYR 8 HH TYR 8 19.270 -6.378 -16.853 74 H GLU 9 H GLU 9 20.935 -4.133 -9.180 75 HA GLU 9 HA GLU 9 22.660 -1.993 -9.610 76 HB2 GLU 9 HB2 GLU 9 23.486 -4.862 -9.146 77 HB3 GLU 9 HB3 GLU 9 24.427 -3.422 -8.786 78 HG2 GLU 9 HG2 GLU 9 22.736 -2.763 -7.124 79 HG3 GLU 9 HG3 GLU 9 21.862 -4.258 -7.453 80 H ASN 10 H ASN 10 21.787 -4.570 -11.702 81 HA ASN 10 HA ASN 10 24.125 -4.288 -13.399 82 HB2 ASN 10 HB2 ASN 10 21.716 -6.066 -13.380 83 HB3 ASN 10 HB3 ASN 10 22.640 -5.886 -14.868 84 HD21 ASN 10 HD21 ASN 10 22.885 -6.773 -11.472 85 HD22 ASN 10 HD22 ASN 10 24.230 -7.841 -11.660 86 H TYR 11 H TYR 11 23.022 -1.862 -13.248 87 HA TYR 11 HA TYR 11 22.083 -1.432 -15.966 88 HB2 TYR 11 HB2 TYR 11 20.178 -1.599 -14.038 89 HB3 TYR 11 HB3 TYR 11 20.555 0.119 -13.969 90 HD1 TYR 11 HD2 TYR 11 20.039 -2.451 -16.643 91 HD2 TYR 11 HD1 TYR 11 19.163 1.459 -15.213 92 HE1 TYR 11 HE2 TYR 11 18.603 -2.063 -18.602 93 HE2 TYR 11 HE1 TYR 11 17.723 1.857 -17.167 94 HH TYR 11 HH TYR 11 17.790 0.535 -19.802 95 HA PRO 12 HA PRO 12 24.856 1.974 -15.606 96 HB2 PRO 12 HB2 PRO 12 24.024 3.399 -17.762 97 HB3 PRO 12 HB3 PRO 12 24.975 1.916 -17.900 98 HG2 PRO 12 HG2 PRO 12 22.022 2.308 -18.194 99 HG3 PRO 12 HG3 PRO 12 23.125 1.333 -19.183 100 HD2 PRO 12 HD2 PRO 12 21.534 0.251 -17.277 101 HD3 PRO 12 HD3 PRO 12 23.131 -0.414 -17.678 102 H VAL 13 H VAL 13 24.711 3.569 -14.169 103 HA VAL 13 HA VAL 13 22.315 4.709 -13.271 104 HB VAL 13 HB VAL 13 23.635 6.233 -11.990 105 HG11 VAL 13 HG11 VAL 13 23.738 3.726 -11.512 106 HG12 VAL 13 HG12 VAL 13 25.368 3.788 -12.187 107 HG13 VAL 13 HG13 VAL 13 24.965 4.745 -10.761 108 HG21 VAL 13 HG21 VAL 13 25.310 7.280 -13.023 109 HG22 VAL 13 HG22 VAL 13 26.289 5.852 -12.688 110 HG23 VAL 13 HG23 VAL 13 25.457 6.008 -14.235 111 H SER 14 H SER 14 24.215 5.401 -16.026 112 HA SER 14 HA SER 14 23.632 8.143 -16.363 113 HB2 SER 14 HB2 SER 14 25.001 6.106 -17.814 114 HB3 SER 14 HB3 SER 14 23.868 6.890 -18.915 115 HG SER 14 HG SER 14 26.077 7.948 -17.570 116 H LYS 15 H LYS 15 22.119 5.249 -17.787 117 HA LYS 15 HA LYS 15 20.103 6.568 -19.203 118 HB2 LYS 15 HB2 LYS 15 20.665 3.823 -18.343 119 HB3 LYS 15 HB3 LYS 15 18.947 4.172 -18.490 120 HG2 LYS 15 HG2 LYS 15 19.547 5.121 -20.800 121 HG3 LYS 15 HG3 LYS 15 21.068 4.249 -20.601 122 HD2 LYS 15 HD2 LYS 15 18.877 2.537 -19.906 123 HD3 LYS 15 HD3 LYS 15 18.597 3.239 -21.501 124 HE2 LYS 15 HE2 LYS 15 20.993 2.561 -22.037 125 HE3 LYS 15 HE3 LYS 15 20.932 1.591 -20.566 126 HZ1 LYS 15 HZ1 LYS 15 19.018 1.331 -22.821 127 HZ2 LYS 15 HZ2 LYS 15 19.118 0.335 -21.458 128 HZ3 LYS 15 HZ3 LYS 15 20.369 0.337 -22.597 129 H CYS 16 H CYS 16 20.380 5.773 -15.830 130 HA CYS 16 HA CYS 16 17.624 6.077 -15.175 131 HB2 CYS 16 HB2 CYS 16 20.170 5.783 -13.681 132 HB3 CYS 16 HB3 CYS 16 18.840 6.552 -12.821 133 H GLN 17 H GLN 17 20.407 8.237 -15.222 134 HA GLN 17 HA GLN 17 18.994 10.437 -14.042 135 HB2 GLN 17 HB2 GLN 17 21.642 10.259 -15.482 136 HB3 GLN 17 HB3 GLN 17 21.016 11.746 -14.783 137 HG2 GLN 17 HG2 GLN 17 21.278 9.299 -13.096 138 HG3 GLN 17 HG3 GLN 17 22.692 10.291 -13.448 139 HE21 GLN 17 HE21 GLN 17 22.849 10.769 -11.221 140 HE22 GLN 17 HE22 GLN 17 21.810 11.936 -10.485 141 H LEU 18 H LEU 18 19.065 9.058 -17.121 142 HA LEU 18 HA LEU 18 18.734 11.401 -18.703 143 HB2 LEU 18 HB2 LEU 18 18.535 8.488 -19.095 144 HB3 LEU 18 HB3 LEU 18 17.557 9.471 -20.183 145 HG LEU 18 HG LEU 18 20.479 10.035 -19.843 146 HD11 LEU 18 HD11 LEU 18 21.069 8.106 -20.757 147 HD12 LEU 18 HD12 LEU 18 20.098 8.498 -22.175 148 HD13 LEU 18 HD13 LEU 18 19.383 7.596 -20.839 149 HD21 LEU 18 HD21 LEU 18 18.837 10.278 -22.333 150 HD22 LEU 18 HD22 LEU 18 20.286 11.164 -21.856 151 HD23 LEU 18 HD23 LEU 18 18.743 11.511 -21.075 152 H ARG 19 H ARG 19 17.146 12.569 -17.485 153 HA ARG 19 HA ARG 19 14.568 11.611 -16.916 154 HB2 ARG 19 HB2 ARG 19 15.987 14.087 -16.706 155 HB3 ARG 19 HB3 ARG 19 14.412 14.398 -17.426 156 HG2 ARG 19 HG2 ARG 19 14.793 12.836 -14.885 157 HG3 ARG 19 HG3 ARG 19 14.508 14.577 -14.933 158 HD2 ARG 19 HD2 ARG 19 12.381 14.234 -16.032 159 HD3 ARG 19 HD3 ARG 19 12.677 12.499 -16.123 160 HE ARG 19 HE ARG 19 11.994 12.309 -13.950 161 HH11 ARG 19 HH11 ARG 19 12.718 15.647 -14.622 162 HH12 ARG 19 HH12 ARG 19 12.111 16.220 -13.104 163 HH21 ARG 19 HH21 ARG 19 11.192 13.051 -11.947 164 HH22 ARG 19 HH22 ARG 19 11.244 14.743 -11.583 165 H ILE 20 H ILE 20 16.008 12.740 -19.846 166 HA ILE 20 HA ILE 20 13.539 13.331 -21.190 167 HB ILE 20 HB ILE 20 16.191 12.777 -22.508 168 HG12 ILE 20 HG12 ILE 20 15.182 15.381 -21.341 169 HG13 ILE 20 HG13 ILE 20 16.534 14.431 -20.733 170 HG21 ILE 20 HG21 ILE 20 14.121 12.938 -23.901 171 HG22 ILE 20 HG22 ILE 20 13.946 14.602 -23.344 172 HG23 ILE 20 HG23 ILE 20 15.359 14.132 -24.289 173 HD11 ILE 20 HD11 ILE 20 16.988 14.965 -23.482 174 HD12 ILE 20 HD12 ILE 20 16.551 16.473 -22.679 175 HD13 ILE 20 HD13 ILE 20 17.904 15.514 -22.080 176 H ALA 21 H ALA 21 15.583 10.542 -20.772 177 HA ALA 21 HA ALA 21 13.574 8.896 -22.096 178 HB1 ALA 21 HB1 ALA 21 16.442 8.429 -22.816 179 HB2 ALA 21 HB2 ALA 21 14.980 7.886 -23.641 180 HB3 ALA 21 HB3 ALA 21 15.461 9.581 -23.723 181 H ASN 22 H ASN 22 13.175 8.277 -19.893 182 HA ASN 22 HA ASN 22 15.251 6.941 -18.403 183 HB2 ASN 22 HB2 ASN 22 13.117 8.280 -17.565 184 HB3 ASN 22 HB3 ASN 22 12.371 6.687 -17.659 185 HD21 ASN 22 HD21 ASN 22 12.104 6.517 -15.456 186 HD22 ASN 22 HD22 ASN 22 13.428 6.278 -14.371 187 H GLN 23 H GLN 23 15.857 5.229 -19.770 188 HA GLN 23 HA GLN 23 13.950 3.310 -20.707 189 HB2 GLN 23 HB2 GLN 23 16.729 3.874 -21.106 190 HB3 GLN 23 HB3 GLN 23 16.547 2.175 -20.690 191 HG2 GLN 23 HG2 GLN 23 14.811 3.411 -22.783 192 HG3 GLN 23 HG3 GLN 23 16.454 2.899 -23.166 193 HE21 GLN 23 HE21 GLN 23 13.400 1.966 -23.426 194 HE22 GLN 23 HE22 GLN 23 13.569 0.251 -23.314 195 H CYS 24 H CYS 24 15.141 3.927 -17.694 196 HA CYS 24 HA CYS 24 15.691 1.334 -16.704 197 HB2 CYS 24 HB2 CYS 24 16.490 3.101 -15.378 198 HB3 CYS 24 HB3 CYS 24 14.945 3.944 -15.411 199 H ASN 25 H ASN 25 12.829 3.383 -16.104 200 HA ASN 25 HA ASN 25 11.240 1.445 -14.928 201 HB2 ASN 25 HB2 ASN 25 9.391 2.889 -15.299 202 HB3 ASN 25 HB3 ASN 25 10.790 3.942 -15.107 203 HD21 ASN 25 HD21 ASN 25 11.294 5.321 -16.690 204 HD22 ASN 25 HD22 ASN 25 10.501 5.398 -18.223 205 H TYR 26 H TYR 26 11.717 2.178 -18.342 206 HA TYR 26 HA TYR 26 9.691 0.418 -19.294 207 HB2 TYR 26 HB2 TYR 26 11.169 2.399 -20.433 208 HB3 TYR 26 HB3 TYR 26 11.969 0.973 -21.084 209 HD1 TYR 26 HD1 TYR 26 10.590 -0.715 -22.357 210 HD2 TYR 26 HD2 TYR 26 9.090 3.119 -21.282 211 HE1 TYR 26 HE1 TYR 26 8.823 -0.936 -24.054 212 HE2 TYR 26 HE2 TYR 26 7.319 2.908 -22.975 213 HH TYR 26 HH TYR 26 7.228 1.336 -25.355 214 H ASP 27 H ASP 27 13.165 0.117 -18.752 215 HA ASP 27 HA ASP 27 13.485 -2.425 -19.936 216 HB2 ASP 27 HB2 ASP 27 15.474 -1.230 -19.582 217 HB3 ASP 27 HB3 ASP 27 15.064 -0.863 -17.909 218 H CYS 28 H CYS 28 12.713 -1.407 -16.641 219 HA CYS 28 HA CYS 28 12.910 -3.851 -15.340 220 HB2 CYS 28 HB2 CYS 28 11.193 -1.428 -14.887 221 HB3 CYS 28 HB3 CYS 28 11.016 -2.852 -13.866 222 H LYS 29 H LYS 29 9.930 -2.387 -16.649 223 HA LYS 29 HA LYS 29 8.331 -4.673 -16.296 224 HB2 LYS 29 HB2 LYS 29 7.949 -2.501 -18.361 225 HB3 LYS 29 HB3 LYS 29 6.711 -3.567 -17.709 226 HG2 LYS 29 HG2 LYS 29 6.623 -2.454 -15.693 227 HG3 LYS 29 HG3 LYS 29 8.246 -1.784 -15.873 228 HD2 LYS 29 HD2 LYS 29 6.777 0.028 -16.208 229 HD3 LYS 29 HD3 LYS 29 7.315 -0.444 -17.821 230 HE2 LYS 29 HE2 LYS 29 5.268 -1.264 -18.413 231 HE3 LYS 29 HE3 LYS 29 4.845 -1.705 -16.759 232 HZ1 LYS 29 HZ1 LYS 29 5.121 1.104 -16.999 233 HZ2 LYS 29 HZ2 LYS 29 3.776 0.204 -16.508 234 HZ3 LYS 29 HZ3 LYS 29 4.021 0.531 -18.150 235 H LEU 30 H LEU 30 10.517 -3.717 -18.833 236 HA LEU 30 HA LEU 30 9.633 -5.298 -20.938 237 HB2 LEU 30 HB2 LEU 30 11.500 -3.578 -20.911 238 HB3 LEU 30 HB3 LEU 30 12.531 -4.855 -20.269 239 HG LEU 30 HG LEU 30 11.112 -5.541 -22.752 240 HD11 LEU 30 HD11 LEU 30 12.651 -4.249 -24.164 241 HD12 LEU 30 HD12 LEU 30 13.250 -3.415 -22.730 242 HD13 LEU 30 HD13 LEU 30 11.572 -3.211 -23.231 243 HD21 LEU 30 HD21 LEU 30 13.253 -6.512 -23.305 244 HD22 LEU 30 HD22 LEU 30 12.808 -6.964 -21.659 245 HD23 LEU 30 HD23 LEU 30 14.011 -5.702 -21.934 246 H ASP 31 H ASP 31 12.021 -6.124 -18.425 247 HA ASP 31 HA ASP 31 11.664 -8.959 -19.129 248 HB2 ASP 31 HB2 ASP 31 13.981 -7.357 -18.344 249 HB3 ASP 31 HB3 ASP 31 13.831 -8.850 -17.422 250 H LYS 32 H LYS 32 12.592 -7.184 -16.181 251 HA LYS 32 HA LYS 32 11.731 -9.018 -14.328 252 HB2 LYS 32 HB2 LYS 32 11.492 -6.027 -13.983 253 HB3 LYS 32 HB3 LYS 32 11.693 -7.229 -12.715 254 HG2 LYS 32 HG2 LYS 32 13.881 -7.705 -14.255 255 HG3 LYS 32 HG3 LYS 32 13.684 -5.962 -14.446 256 HD2 LYS 32 HD2 LYS 32 13.626 -5.722 -11.996 257 HD3 LYS 32 HD3 LYS 32 13.878 -7.462 -11.833 258 HE2 LYS 32 HE2 LYS 32 16.028 -7.270 -12.958 259 HE3 LYS 32 HE3 LYS 32 15.770 -5.542 -13.190 260 HZ1 LYS 32 HZ1 LYS 32 15.517 -6.378 -10.453 261 HZ2 LYS 32 HZ2 LYS 32 16.409 -5.103 -11.115 262 HZ3 LYS 32 HZ3 LYS 32 17.056 -6.665 -11.093 263 H HIS 33 H HIS 33 9.830 -6.762 -16.188 264 HA HIS 33 HA HIS 33 7.585 -6.551 -16.497 265 HB2 HIS 33 HB2 HIS 33 7.970 -9.248 -16.054 266 HB3 HIS 33 HB3 HIS 33 6.731 -8.831 -14.874 267 HD1 HIS 33 HD1 HIS 33 5.376 -6.640 -16.784 268 HD2 HIS 33 HD2 HIS 33 6.211 -10.599 -17.726 269 HE1 HIS 33 HE1 HIS 33 3.795 -7.235 -18.646 270 H ALA 34 H ALA 34 8.927 -5.389 -14.188 271 HA ALA 34 HA ALA 34 7.450 -5.580 -11.828 272 HB1 ALA 34 HB1 ALA 34 9.125 -4.262 -11.207 273 HB2 ALA 34 HB2 ALA 34 9.508 -3.883 -12.887 274 HB3 ALA 34 HB3 ALA 34 8.315 -2.920 -12.016 275 H ARG 35 H ARG 35 6.451 -3.235 -11.055 276 HA ARG 35 HA ARG 35 3.945 -3.121 -12.447 277 HB2 ARG 35 HB2 ARG 35 4.723 -1.146 -10.336 278 HB3 ARG 35 HB3 ARG 35 3.156 -1.881 -10.650 279 HG2 ARG 35 HG2 ARG 35 5.549 -3.151 -9.345 280 HG3 ARG 35 HG3 ARG 35 3.988 -2.776 -8.612 281 HD2 ARG 35 HD2 ARG 35 3.323 -4.832 -9.131 282 HD3 ARG 35 HD3 ARG 35 3.410 -4.375 -10.832 283 HE ARG 35 HE ARG 35 5.931 -5.201 -9.724 284 HH11 ARG 35 HH11 ARG 35 2.974 -6.263 -11.225 285 HH12 ARG 35 HH12 ARG 35 3.659 -7.732 -11.837 286 HH21 ARG 35 HH21 ARG 35 6.844 -7.132 -10.524 287 HH22 ARG 35 HH22 ARG 35 5.860 -8.226 -11.437 288 H SER 36 H SER 36 6.395 -0.643 -11.670 289 HA SER 36 HA SER 36 5.738 0.684 -14.208 290 HB2 SER 36 HB2 SER 36 5.538 1.787 -11.468 291 HB3 SER 36 HB3 SER 36 6.307 2.833 -12.662 292 HG SER 36 HG SER 36 3.773 2.568 -12.312 293 H GLY 37 H GLY 37 8.002 0.659 -11.455 294 HA2 GLY 37 HA2 GLY 37 10.321 0.394 -11.555 295 HA3 GLY 37 HA3 GLY 37 10.238 0.530 -13.306 296 H GLU 38 H GLU 38 11.779 1.895 -10.982 297 HA GLU 38 HA GLU 38 11.871 4.478 -12.260 298 HB2 GLU 38 HB2 GLU 38 10.754 4.114 -9.502 299 HB3 GLU 38 HB3 GLU 38 11.633 5.582 -9.906 300 HG2 GLU 38 HG2 GLU 38 10.037 5.808 -11.871 301 HG3 GLU 38 HG3 GLU 38 9.073 4.559 -11.085 302 H CYS 39 H CYS 39 13.588 5.873 -11.273 303 HA CYS 39 HA CYS 39 15.765 4.174 -10.249 304 HB2 CYS 39 HB2 CYS 39 15.897 6.714 -11.888 305 HB3 CYS 39 HB3 CYS 39 17.298 5.860 -11.250 306 H PHE 40 H PHE 40 16.877 4.765 -8.449 307 HA PHE 40 HA PHE 40 16.482 7.389 -7.273 308 HB2 PHE 40 HB2 PHE 40 15.673 4.865 -5.813 309 HB3 PHE 40 HB3 PHE 40 15.749 6.473 -5.100 310 HD1 PHE 40 HD1 PHE 40 14.213 8.259 -5.983 311 HD2 PHE 40 HD2 PHE 40 13.775 4.144 -6.976 312 HE1 PHE 40 HE1 PHE 40 11.888 8.677 -6.674 313 HE2 PHE 40 HE2 PHE 40 11.451 4.554 -7.669 314 HZ PHE 40 HZ PHE 40 10.504 6.823 -7.520 315 H TYR 41 H TYR 41 17.898 7.764 -5.416 316 HA TYR 41 HA TYR 41 20.482 6.594 -5.860 317 HB2 TYR 41 HB2 TYR 41 19.443 8.694 -3.966 318 HB3 TYR 41 HB3 TYR 41 21.102 8.111 -3.883 319 HD1 TYR 41 HD2 TYR 41 18.682 10.030 -5.859 320 HD2 TYR 41 HD1 TYR 41 22.708 8.680 -5.603 321 HE1 TYR 41 HE2 TYR 41 19.324 11.633 -7.610 322 HE2 TYR 41 HE1 TYR 41 23.362 10.280 -7.353 323 HH TYR 41 HH TYR 41 21.753 12.837 -8.199 324 H ASP 42 H ASP 42 21.778 5.545 -4.267 325 HA ASP 42 HA ASP 42 20.188 3.852 -2.483 326 HB2 ASP 42 HB2 ASP 42 22.134 3.178 -4.259 327 HB3 ASP 42 HB3 ASP 42 23.076 3.312 -2.776 328 H GLU 43 H GLU 43 22.082 3.071 -0.660 329 HA GLU 43 HA GLU 43 21.978 5.170 1.228 330 HB2 GLU 43 HB2 GLU 43 23.778 2.755 1.385 331 HB3 GLU 43 HB3 GLU 43 23.120 3.694 2.717 332 HG2 GLU 43 HG2 GLU 43 20.848 2.938 2.042 333 HG3 GLU 43 HG3 GLU 43 21.608 1.882 0.853 334 H LYS 44 H LYS 44 24.400 4.138 -1.054 335 HA LYS 44 HA LYS 44 26.358 5.998 0.085 336 HB2 LYS 44 HB2 LYS 44 26.505 3.594 -1.638 337 HB3 LYS 44 HB3 LYS 44 27.667 4.867 -1.989 338 HG2 LYS 44 HG2 LYS 44 27.628 4.479 0.818 339 HG3 LYS 44 HG3 LYS 44 27.755 2.897 0.045 340 HD2 LYS 44 HD2 LYS 44 29.767 3.408 -0.969 341 HD3 LYS 44 HD3 LYS 44 29.475 5.148 -0.905 342 HE2 LYS 44 HE2 LYS 44 31.119 4.798 0.712 343 HE3 LYS 44 HE3 LYS 44 29.624 4.877 1.642 344 HZ1 LYS 44 HZ1 LYS 44 30.602 2.265 0.721 345 HZ2 LYS 44 HZ2 LYS 44 29.673 2.643 2.083 346 HZ3 LYS 44 HZ3 LYS 44 31.330 2.985 2.068 347 H ARG 45 H ARG 45 23.901 6.760 -1.445 348 HA ARG 45 HA ARG 45 23.288 8.340 -2.962 349 HB2 ARG 45 HB2 ARG 45 26.228 9.020 -3.112 350 HB3 ARG 45 HB3 ARG 45 24.878 10.056 -3.557 351 HG2 ARG 45 HG2 ARG 45 24.658 9.147 -0.823 352 HG3 ARG 45 HG3 ARG 45 26.186 9.978 -1.117 353 HD2 ARG 45 HD2 ARG 45 24.494 11.636 -2.395 354 HD3 ARG 45 HD3 ARG 45 23.422 11.011 -1.142 355 HE ARG 45 HE ARG 45 25.581 12.843 -0.793 356 HH11 ARG 45 HH11 ARG 45 23.783 10.295 0.754 357 HH12 ARG 45 HH12 ARG 45 24.125 10.851 2.359 358 HH21 ARG 45 HH21 ARG 45 26.038 13.585 1.315 359 HH22 ARG 45 HH22 ARG 45 25.407 12.723 2.677 360 H ASN 46 H ASN 46 23.695 5.744 -3.910 361 HA ASN 46 HA ASN 46 24.859 6.187 -6.577 362 HB2 ASN 46 HB2 ASN 46 24.196 3.425 -5.768 363 HB3 ASN 46 HB3 ASN 46 25.623 4.048 -6.592 364 HD21 ASN 46 HD21 ASN 46 27.441 4.194 -5.477 365 HD22 ASN 46 HD22 ASN 46 27.580 4.078 -3.759 366 H LEU 47 H LEU 47 23.348 6.711 -8.012 367 HA LEU 47 HA LEU 47 20.593 6.062 -7.701 368 HB2 LEU 47 HB2 LEU 47 22.119 7.814 -9.266 369 HB3 LEU 47 HB3 LEU 47 21.289 6.755 -10.406 370 HG LEU 47 HG LEU 47 19.928 8.387 -8.263 371 HD11 LEU 47 HD11 LEU 47 19.219 9.216 -10.866 372 HD12 LEU 47 HD12 LEU 47 20.980 9.170 -10.793 373 HD13 LEU 47 HD13 LEU 47 20.075 10.129 -9.623 374 HD21 LEU 47 HD21 LEU 47 18.980 6.144 -9.383 375 HD22 LEU 47 HD22 LEU 47 18.483 7.314 -10.606 376 HD23 LEU 47 HD23 LEU 47 17.956 7.508 -8.933 377 H GLN 48 H GLN 48 19.724 4.137 -8.050 378 HA GLN 48 HA GLN 48 20.789 2.492 -10.248 379 HB2 GLN 48 HB2 GLN 48 19.993 1.687 -7.465 380 HB3 GLN 48 HB3 GLN 48 19.966 0.524 -8.784 381 HG2 GLN 48 HG2 GLN 48 22.252 0.530 -9.020 382 HG3 GLN 48 HG3 GLN 48 22.429 2.128 -8.296 383 HE21 GLN 48 HE21 GLN 48 21.188 1.950 -5.948 384 HE22 GLN 48 HE22 GLN 48 21.914 0.747 -4.944 385 H CYS 49 H CYS 49 19.210 0.887 -11.082 386 HA CYS 49 HA CYS 49 16.646 2.180 -11.468 387 HB2 CYS 49 HB2 CYS 49 17.900 1.209 -13.377 388 HB3 CYS 49 HB3 CYS 49 17.710 -0.388 -12.662 389 H ILE 50 H ILE 50 15.596 1.923 -9.493 390 HA ILE 50 HA ILE 50 15.224 -0.736 -8.398 391 HB ILE 50 HB ILE 50 14.258 1.982 -7.526 392 HG12 ILE 50 HG12 ILE 50 15.720 0.430 -5.585 393 HG13 ILE 50 HG13 ILE 50 16.630 0.525 -7.089 394 HG21 ILE 50 HG21 ILE 50 13.605 -0.723 -6.378 395 HG22 ILE 50 HG22 ILE 50 13.411 0.786 -5.487 396 HG23 ILE 50 HG23 ILE 50 12.482 0.506 -6.960 397 HD11 ILE 50 HD11 ILE 50 15.802 3.105 -6.746 398 HD12 ILE 50 HD12 ILE 50 16.093 2.570 -5.090 399 HD13 ILE 50 HD13 ILE 50 17.379 2.461 -6.291 400 H CYS 51 H CYS 51 13.702 -2.055 -9.121 401 HA CYS 51 HA CYS 51 11.410 -0.972 -10.568 402 HB2 CYS 51 HB2 CYS 51 12.097 -3.885 -10.190 403 HB3 CYS 51 HB3 CYS 51 11.074 -3.165 -11.429 404 H ASP 52 H ASP 52 9.291 -2.194 -10.206 405 HA ASP 52 HA ASP 52 8.847 -2.450 -7.304 406 HB2 ASP 52 HB2 ASP 52 7.722 -0.507 -8.366 407 HB3 ASP 52 HB3 ASP 52 6.852 -1.619 -9.420 408 H TYR 53 H TYR 53 8.189 -4.356 -6.565 409 HA TYR 53 HA TYR 53 6.988 -6.258 -8.469 410 HB2 TYR 53 HB2 TYR 53 9.271 -6.569 -6.626 411 HB3 TYR 53 HB3 TYR 53 8.112 -7.894 -6.610 412 HD1 TYR 53 HD2 TYR 53 10.460 -5.991 -8.726 413 HD2 TYR 53 HD1 TYR 53 7.952 -9.416 -8.441 414 HE1 TYR 53 HE2 TYR 53 11.494 -6.909 -10.760 415 HE2 TYR 53 HE1 TYR 53 8.980 -10.344 -10.474 416 HH TYR 53 HH TYR 53 11.787 -9.441 -11.691 417 H CYS 54 H CYS 54 4.902 -6.400 -7.962 418 HA CYS 54 HA CYS 54 4.090 -7.404 -5.420 419 HB2 CYS 54 HB2 CYS 54 3.948 -4.514 -5.914 420 HB3 CYS 54 HB3 CYS 54 2.419 -5.225 -5.407 421 H GLU 55 H GLU 55 2.275 -5.233 -7.545 422 HA GLU 55 HA GLU 55 1.026 -7.411 -8.959 423 HB2 GLU 55 HB2 GLU 55 -0.365 -5.963 -6.747 424 HB3 GLU 55 HB3 GLU 55 -1.295 -6.432 -8.164 425 HG2 GLU 55 HG2 GLU 55 0.026 -8.739 -7.594 426 HG3 GLU 55 HG3 GLU 55 -0.223 -8.063 -5.986 427 H TYR 56 H TYR 56 -0.649 -6.595 -10.503 428 HA TYR 56 HA TYR 56 0.309 -4.127 -11.692 429 HB2 TYR 56 HB2 TYR 56 -1.797 -6.040 -12.717 430 HB3 TYR 56 HB3 TYR 56 -0.997 -4.768 -13.634 431 HD1 TYR 56 HD1 TYR 56 -0.623 -8.105 -12.160 432 HD2 TYR 56 HD2 TYR 56 1.265 -5.055 -14.449 433 HE1 TYR 56 HE1 TYR 56 1.121 -9.701 -12.838 434 HE2 TYR 56 HE2 TYR 56 3.013 -6.643 -15.134 435 HH TYR 56 HH TYR 56 3.538 -9.562 -13.627 Start of MODEL 7 1 H1 GLN 1 H GLN 1 0.649 0.224 -3.127 2 HA GLN 1 HA GLN 1 1.379 0.436 -0.483 3 HB2 GLN 1 HB2 GLN 1 0.664 -2.306 -1.253 4 HB3 GLN 1 HB3 GLN 1 2.250 -2.163 -0.506 5 HG2 GLN 1 HG2 GLN 1 1.326 -1.212 1.465 6 HG3 GLN 1 HG3 GLN 1 -0.257 -1.035 0.708 7 HE21 GLN 1 HE21 GLN 1 2.033 -3.737 0.811 8 HE22 GLN 1 HE22 GLN 1 0.932 -4.870 1.511 9 H ASP 2 H ASP 2 3.136 1.566 -1.054 10 HA ASP 2 HA ASP 2 4.927 0.542 -3.115 11 HB2 ASP 2 HB2 ASP 2 4.711 3.165 -1.654 12 HB3 ASP 2 HB3 ASP 2 6.134 2.766 -2.613 13 H LYS 3 H LYS 3 4.973 -1.146 -1.022 14 HA LYS 3 HA LYS 3 7.426 -0.470 0.459 15 HB2 LYS 3 HB2 LYS 3 6.732 -2.167 2.095 16 HB3 LYS 3 HB3 LYS 3 5.514 -0.911 1.909 17 HG2 LYS 3 HG2 LYS 3 3.995 -2.323 0.991 18 HG3 LYS 3 HG3 LYS 3 5.227 -3.330 0.227 19 HD2 LYS 3 HD2 LYS 3 5.795 -3.883 2.764 20 HD3 LYS 3 HD3 LYS 3 4.095 -3.454 2.971 21 HE2 LYS 3 HE2 LYS 3 3.691 -5.590 2.432 22 HE3 LYS 3 HE3 LYS 3 4.007 -5.075 0.776 23 HZ1 LYS 3 HZ1 LYS 3 5.892 -6.378 2.655 24 HZ2 LYS 3 HZ2 LYS 3 6.390 -5.653 1.211 25 HZ3 LYS 3 HZ3 LYS 3 5.330 -6.971 1.173 26 H CYS 4 H CYS 4 6.645 -1.935 -2.262 27 HA CYS 4 HA CYS 4 8.664 -4.050 -1.914 28 HB2 CYS 4 HB2 CYS 4 7.344 -5.268 -3.760 29 HB3 CYS 4 HB3 CYS 4 6.680 -5.286 -2.130 30 H LYS 5 H LYS 5 10.221 -4.181 -3.447 31 HA LYS 5 HA LYS 5 9.976 -3.081 -6.058 32 HB2 LYS 5 HB2 LYS 5 11.730 -1.319 -5.785 33 HB3 LYS 5 HB3 LYS 5 10.211 -0.953 -4.976 34 HG2 LYS 5 HG2 LYS 5 11.784 -0.343 -3.404 35 HG3 LYS 5 HG3 LYS 5 11.346 -1.975 -2.892 36 HD2 LYS 5 HD2 LYS 5 13.436 -2.691 -3.168 37 HD3 LYS 5 HD3 LYS 5 13.495 -2.050 -4.812 38 HE2 LYS 5 HE2 LYS 5 14.466 -0.090 -4.159 39 HE3 LYS 5 HE3 LYS 5 13.713 -0.121 -2.565 40 HZ1 LYS 5 HZ1 LYS 5 15.764 -2.116 -3.255 41 HZ2 LYS 5 HZ2 LYS 5 15.324 -1.518 -1.735 42 HZ3 LYS 5 HZ3 LYS 5 16.234 -0.559 -2.791 43 H LYS 6 H LYS 6 12.264 -2.962 -7.109 44 HA LYS 6 HA LYS 6 14.131 -4.871 -5.939 45 HB2 LYS 6 HB2 LYS 6 12.715 -5.279 -8.571 46 HB3 LYS 6 HB3 LYS 6 14.230 -6.083 -8.179 47 HG2 LYS 6 HG2 LYS 6 13.052 -6.968 -6.112 48 HG3 LYS 6 HG3 LYS 6 11.555 -6.406 -6.858 49 HD2 LYS 6 HD2 LYS 6 11.469 -8.325 -7.980 50 HD3 LYS 6 HD3 LYS 6 12.915 -7.821 -8.857 51 HE2 LYS 6 HE2 LYS 6 13.207 -10.028 -7.851 52 HE3 LYS 6 HE3 LYS 6 14.321 -8.853 -7.154 53 HZ1 LYS 6 HZ1 LYS 6 12.588 -10.491 -5.788 54 HZ2 LYS 6 HZ2 LYS 6 11.887 -8.955 -5.690 55 HZ3 LYS 6 HZ3 LYS 6 13.472 -9.197 -5.150 56 H VAL 7 H VAL 7 15.986 -3.791 -5.968 57 HA VAL 7 HA VAL 7 16.540 -1.693 -7.825 58 HB VAL 7 HB VAL 7 18.342 -3.079 -5.835 59 HG11 VAL 7 HG11 VAL 7 19.602 -0.804 -6.170 60 HG12 VAL 7 HG12 VAL 7 19.887 -2.158 -7.265 61 HG13 VAL 7 HG13 VAL 7 18.817 -0.842 -7.748 62 HG21 VAL 7 HG21 VAL 7 17.529 -0.290 -5.418 63 HG22 VAL 7 HG22 VAL 7 16.217 -1.464 -5.321 64 HG23 VAL 7 HG23 VAL 7 17.626 -1.629 -4.273 65 H TYR 8 H TYR 8 17.943 -1.650 -9.546 66 HA TYR 8 HA TYR 8 18.743 -4.282 -10.583 67 HB2 TYR 8 HB2 TYR 8 17.216 -2.489 -11.835 68 HB3 TYR 8 HB3 TYR 8 18.788 -1.858 -12.314 69 HD1 TYR 8 HD2 TYR 8 20.005 -4.797 -12.238 70 HD2 TYR 8 HD1 TYR 8 16.680 -2.986 -14.178 71 HE1 TYR 8 HE2 TYR 8 20.138 -6.482 -14.025 72 HE2 TYR 8 HE1 TYR 8 16.802 -4.666 -15.969 73 HH TYR 8 HH TYR 8 19.466 -6.747 -16.359 74 H GLU 9 H GLU 9 20.606 -4.139 -9.083 75 HA GLU 9 HA GLU 9 22.602 -2.234 -9.156 76 HB2 GLU 9 HB2 GLU 9 23.013 -5.215 -8.867 77 HB3 GLU 9 HB3 GLU 9 24.106 -3.952 -8.318 78 HG2 GLU 9 HG2 GLU 9 22.327 -3.155 -6.783 79 HG3 GLU 9 HG3 GLU 9 21.350 -4.540 -7.267 80 H ASN 10 H ASN 10 21.795 -4.643 -11.509 81 HA ASN 10 HA ASN 10 24.296 -4.243 -12.962 82 HB2 ASN 10 HB2 ASN 10 22.051 -5.960 -13.961 83 HB3 ASN 10 HB3 ASN 10 23.787 -6.158 -14.182 84 HD21 ASN 10 HD21 ASN 10 24.807 -6.111 -11.730 85 HD22 ASN 10 HD22 ASN 10 24.166 -7.387 -10.758 86 H TYR 11 H TYR 11 23.148 -1.898 -12.966 87 HA TYR 11 HA TYR 11 22.292 -1.552 -15.721 88 HB2 TYR 11 HB2 TYR 11 20.342 -1.695 -13.799 89 HB3 TYR 11 HB3 TYR 11 20.646 0.037 -13.877 90 HD1 TYR 11 HD1 TYR 11 19.976 -2.886 -16.100 91 HD2 TYR 11 HD2 TYR 11 19.560 1.304 -15.488 92 HE1 TYR 11 HE1 TYR 11 18.573 -2.738 -18.114 93 HE2 TYR 11 HE2 TYR 11 18.154 1.463 -17.500 94 HH TYR 11 HH TYR 11 17.812 -1.161 -19.716 95 HA PRO 12 HA PRO 12 24.945 1.945 -15.351 96 HB2 PRO 12 HB2 PRO 12 24.118 3.323 -17.539 97 HB3 PRO 12 HB3 PRO 12 25.112 1.865 -17.641 98 HG2 PRO 12 HG2 PRO 12 22.155 2.170 -17.999 99 HG3 PRO 12 HG3 PRO 12 23.305 1.216 -18.954 100 HD2 PRO 12 HD2 PRO 12 21.707 0.110 -17.068 101 HD3 PRO 12 HD3 PRO 12 23.329 -0.513 -17.429 102 H VAL 13 H VAL 13 24.733 3.562 -13.948 103 HA VAL 13 HA VAL 13 22.263 4.654 -13.149 104 HB VAL 13 HB VAL 13 23.500 6.174 -11.783 105 HG11 VAL 13 HG11 VAL 13 24.707 4.678 -10.471 106 HG12 VAL 13 HG12 VAL 13 23.604 3.631 -11.366 107 HG13 VAL 13 HG13 VAL 13 25.290 3.773 -11.867 108 HG21 VAL 13 HG21 VAL 13 25.048 7.104 -13.333 109 HG22 VAL 13 HG22 VAL 13 25.992 6.369 -12.037 110 HG23 VAL 13 HG23 VAL 13 25.828 5.543 -13.586 111 H SER 14 H SER 14 24.317 5.378 -15.783 112 HA SER 14 HA SER 14 23.752 8.118 -16.134 113 HB2 SER 14 HB2 SER 14 25.186 6.086 -17.529 114 HB3 SER 14 HB3 SER 14 24.113 6.882 -18.680 115 HG SER 14 HG SER 14 25.130 8.762 -18.359 116 H LYS 15 H LYS 15 22.306 5.239 -17.655 117 HA LYS 15 HA LYS 15 20.367 6.572 -19.160 118 HB2 LYS 15 HB2 LYS 15 20.895 3.825 -18.312 119 HB3 LYS 15 HB3 LYS 15 19.180 4.166 -18.499 120 HG2 LYS 15 HG2 LYS 15 19.872 5.165 -20.782 121 HG3 LYS 15 HG3 LYS 15 21.352 4.232 -20.549 122 HD2 LYS 15 HD2 LYS 15 19.144 2.553 -19.932 123 HD3 LYS 15 HD3 LYS 15 18.818 3.340 -21.479 124 HE2 LYS 15 HE2 LYS 15 21.255 1.727 -20.736 125 HE3 LYS 15 HE3 LYS 15 19.985 1.268 -21.869 126 HZ1 LYS 15 HZ1 LYS 15 22.261 2.997 -22.257 127 HZ2 LYS 15 HZ2 LYS 15 20.812 3.629 -22.860 128 HZ3 LYS 15 HZ3 LYS 15 21.362 2.120 -23.391 129 H CYS 16 H CYS 16 20.539 5.931 -15.781 130 HA CYS 16 HA CYS 16 17.735 6.156 -15.243 131 HB2 CYS 16 HB2 CYS 16 20.219 5.886 -13.659 132 HB3 CYS 16 HB3 CYS 16 18.890 6.718 -12.857 133 H GLN 17 H GLN 17 20.517 8.330 -14.779 134 HA GLN 17 HA GLN 17 19.010 10.524 -13.849 135 HB2 GLN 17 HB2 GLN 17 21.724 10.385 -15.164 136 HB3 GLN 17 HB3 GLN 17 21.047 11.860 -14.485 137 HG2 GLN 17 HG2 GLN 17 21.857 11.305 -12.510 138 HG3 GLN 17 HG3 GLN 17 20.832 9.871 -12.502 139 HE21 GLN 17 HE21 GLN 17 22.324 8.608 -11.438 140 HE22 GLN 17 HE22 GLN 17 23.785 8.060 -12.179 141 H LEU 18 H LEU 18 19.286 9.161 -16.934 142 HA LEU 18 HA LEU 18 18.984 11.501 -18.520 143 HB2 LEU 18 HB2 LEU 18 18.849 8.585 -18.932 144 HB3 LEU 18 HB3 LEU 18 17.924 9.563 -20.070 145 HG LEU 18 HG LEU 18 20.824 10.129 -19.555 146 HD11 LEU 18 HD11 LEU 18 21.448 8.218 -20.484 147 HD12 LEU 18 HD12 LEU 18 20.571 8.667 -21.947 148 HD13 LEU 18 HD13 LEU 18 19.765 7.730 -20.688 149 HD21 LEU 18 HD21 LEU 18 20.745 11.307 -21.552 150 HD22 LEU 18 HD22 LEU 18 19.177 11.661 -20.826 151 HD23 LEU 18 HD23 LEU 18 19.303 10.460 -22.112 152 H ARG 19 H ARG 19 17.315 12.634 -17.378 153 HA ARG 19 HA ARG 19 14.724 11.619 -16.967 154 HB2 ARG 19 HB2 ARG 19 15.693 14.460 -17.311 155 HB3 ARG 19 HB3 ARG 19 14.064 14.030 -16.807 156 HG2 ARG 19 HG2 ARG 19 16.439 13.027 -15.293 157 HG3 ARG 19 HG3 ARG 19 15.808 14.651 -15.017 158 HD2 ARG 19 HD2 ARG 19 13.663 13.778 -14.397 159 HD3 ARG 19 HD3 ARG 19 14.140 12.147 -14.867 160 HE ARG 19 HE ARG 19 14.764 13.497 -12.405 161 HH11 ARG 19 HH11 ARG 19 15.698 10.971 -14.610 162 HH12 ARG 19 HH12 ARG 19 16.552 10.059 -13.409 163 HH21 ARG 19 HH21 ARG 19 15.884 12.306 -10.814 164 HH22 ARG 19 HH22 ARG 19 16.656 10.819 -11.250 165 H ILE 20 H ILE 20 16.317 12.797 -19.787 166 HA ILE 20 HA ILE 20 13.936 13.428 -21.261 167 HB ILE 20 HB ILE 20 16.651 12.851 -22.432 168 HG12 ILE 20 HG12 ILE 20 15.606 15.456 -21.301 169 HG13 ILE 20 HG13 ILE 20 16.913 14.487 -20.629 170 HG21 ILE 20 HG21 ILE 20 15.941 14.215 -24.251 171 HG22 ILE 20 HG22 ILE 20 14.657 13.050 -23.934 172 HG23 ILE 20 HG23 ILE 20 14.489 14.717 -23.385 173 HD11 ILE 20 HD11 ILE 20 17.523 15.039 -23.344 174 HD12 ILE 20 HD12 ILE 20 17.058 16.546 -22.552 175 HD13 ILE 20 HD13 ILE 20 18.366 15.568 -21.888 176 H ALA 21 H ALA 21 15.905 10.604 -20.749 177 HA ALA 21 HA ALA 21 13.962 9.009 -22.231 178 HB1 ALA 21 HB1 ALA 21 15.884 9.611 -23.762 179 HB2 ALA 21 HB2 ALA 21 16.900 8.608 -22.725 180 HB3 ALA 21 HB3 ALA 21 15.538 7.890 -23.585 181 H ASN 22 H ASN 22 13.381 8.414 -20.052 182 HA ASN 22 HA ASN 22 15.298 7.000 -18.426 183 HB2 ASN 22 HB2 ASN 22 13.116 8.412 -17.771 184 HB3 ASN 22 HB3 ASN 22 12.387 6.811 -17.845 185 HD21 ASN 22 HD21 ASN 22 12.011 6.656 -15.671 186 HD22 ASN 22 HD22 ASN 22 13.274 6.492 -14.504 187 H GLN 23 H GLN 23 15.922 5.280 -19.788 188 HA GLN 23 HA GLN 23 13.996 3.427 -20.822 189 HB2 GLN 23 HB2 GLN 23 16.808 3.908 -21.101 190 HB3 GLN 23 HB3 GLN 23 16.551 2.211 -20.716 191 HG2 GLN 23 HG2 GLN 23 14.952 3.535 -22.864 192 HG3 GLN 23 HG3 GLN 23 16.588 2.961 -23.183 193 HE21 GLN 23 HE21 GLN 23 13.513 2.155 -23.583 194 HE22 GLN 23 HE22 GLN 23 13.608 0.433 -23.485 195 H CYS 24 H CYS 24 15.094 3.990 -17.761 196 HA CYS 24 HA CYS 24 15.525 1.377 -16.768 197 HB2 CYS 24 HB2 CYS 24 16.316 3.166 -15.433 198 HB3 CYS 24 HB3 CYS 24 14.754 3.978 -15.456 199 H ASN 25 H ASN 25 12.699 3.506 -16.286 200 HA ASN 25 HA ASN 25 11.012 1.595 -15.188 201 HB2 ASN 25 HB2 ASN 25 9.185 3.088 -15.720 202 HB3 ASN 25 HB3 ASN 25 10.577 4.049 -15.230 203 HD21 ASN 25 HD21 ASN 25 8.567 3.061 -17.892 204 HD22 ASN 25 HD22 ASN 25 9.082 4.287 -18.996 205 H TYR 26 H TYR 26 11.616 2.397 -18.570 206 HA TYR 26 HA TYR 26 9.578 0.721 -19.630 207 HB2 TYR 26 HB2 TYR 26 11.205 2.665 -20.664 208 HB3 TYR 26 HB3 TYR 26 11.914 1.206 -21.349 209 HD1 TYR 26 HD2 TYR 26 8.429 2.422 -20.714 210 HD2 TYR 26 HD1 TYR 26 11.205 0.791 -23.496 211 HE1 TYR 26 HE2 TYR 26 6.673 2.383 -22.436 212 HE2 TYR 26 HE1 TYR 26 9.457 0.749 -25.225 213 HH TYR 26 HH TYR 26 6.136 1.779 -24.505 214 H ASP 27 H ASP 27 12.992 0.276 -18.897 215 HA ASP 27 HA ASP 27 13.248 -2.267 -20.137 216 HB2 ASP 27 HB2 ASP 27 15.204 -0.887 -19.653 217 HB3 ASP 27 HB3 ASP 27 14.876 -0.997 -17.925 218 H CYS 28 H CYS 28 12.541 -1.228 -16.828 219 HA CYS 28 HA CYS 28 12.627 -3.659 -15.520 220 HB2 CYS 28 HB2 CYS 28 10.945 -1.202 -15.114 221 HB3 CYS 28 HB3 CYS 28 10.738 -2.613 -14.081 222 H LYS 29 H LYS 29 9.694 -2.144 -16.877 223 HA LYS 29 HA LYS 29 8.058 -4.411 -16.545 224 HB2 LYS 29 HB2 LYS 29 7.706 -2.227 -18.602 225 HB3 LYS 29 HB3 LYS 29 6.455 -3.267 -17.933 226 HG2 LYS 29 HG2 LYS 29 6.388 -2.134 -15.934 227 HG3 LYS 29 HG3 LYS 29 8.035 -1.523 -16.104 228 HD2 LYS 29 HD2 LYS 29 6.714 0.360 -16.480 229 HD3 LYS 29 HD3 LYS 29 7.107 -0.197 -18.109 230 HE2 LYS 29 HE2 LYS 29 4.928 -0.237 -18.543 231 HE3 LYS 29 HE3 LYS 29 4.779 -1.568 -17.397 232 HZ1 LYS 29 HZ1 LYS 29 4.516 1.321 -16.761 233 HZ2 LYS 29 HZ2 LYS 29 4.427 0.065 -15.632 234 HZ3 LYS 29 HZ3 LYS 29 3.253 0.198 -16.842 235 H LEU 30 H LEU 30 10.265 -3.452 -19.065 236 HA LEU 30 HA LEU 30 9.386 -4.974 -21.202 237 HB2 LEU 30 HB2 LEU 30 11.690 -3.517 -20.526 238 HB3 LEU 30 HB3 LEU 30 12.248 -5.118 -21.005 239 HG LEU 30 HG LEU 30 10.383 -4.306 -22.954 240 HD11 LEU 30 HD11 LEU 30 12.268 -2.117 -22.127 241 HD12 LEU 30 HD12 LEU 30 10.523 -2.030 -22.363 242 HD13 LEU 30 HD13 LEU 30 11.591 -2.230 -23.751 243 HD21 LEU 30 HD21 LEU 30 12.358 -4.359 -24.415 244 HD22 LEU 30 HD22 LEU 30 12.295 -5.751 -23.333 245 HD23 LEU 30 HD23 LEU 30 13.398 -4.416 -22.991 246 H ASP 31 H ASP 31 11.713 -5.941 -18.681 247 HA ASP 31 HA ASP 31 11.214 -8.748 -19.418 248 HB2 ASP 31 HB2 ASP 31 13.626 -7.274 -18.693 249 HB3 ASP 31 HB3 ASP 31 13.420 -8.741 -17.740 250 H LYS 32 H LYS 32 12.254 -7.014 -16.480 251 HA LYS 32 HA LYS 32 11.366 -8.826 -14.615 252 HB2 LYS 32 HB2 LYS 32 11.191 -5.838 -14.230 253 HB3 LYS 32 HB3 LYS 32 11.451 -7.065 -12.998 254 HG2 LYS 32 HG2 LYS 32 13.566 -7.532 -14.610 255 HG3 LYS 32 HG3 LYS 32 13.356 -5.794 -14.838 256 HD2 LYS 32 HD2 LYS 32 13.326 -5.566 -12.339 257 HD3 LYS 32 HD3 LYS 32 13.776 -7.270 -12.243 258 HE2 LYS 32 HE2 LYS 32 15.851 -6.874 -13.316 259 HE3 LYS 32 HE3 LYS 32 15.370 -5.249 -13.800 260 HZ1 LYS 32 HZ1 LYS 32 16.910 -5.633 -11.744 261 HZ2 LYS 32 HZ2 LYS 32 15.445 -5.896 -10.941 262 HZ3 LYS 32 HZ3 LYS 32 15.730 -4.421 -11.719 263 H HIS 33 H HIS 33 9.507 -6.539 -16.470 264 HA HIS 33 HA HIS 33 7.267 -6.238 -16.731 265 HB2 HIS 33 HB2 HIS 33 7.580 -8.954 -16.300 266 HB3 HIS 33 HB3 HIS 33 6.349 -8.500 -15.126 267 HD1 HIS 33 HD1 HIS 33 6.983 -7.901 -18.837 268 HD2 HIS 33 HD2 HIS 33 3.869 -8.602 -16.178 269 HE1 HIS 33 HE1 HIS 33 4.907 -8.026 -20.251 270 H ALA 34 H ALA 34 8.652 -5.104 -14.458 271 HA ALA 34 HA ALA 34 7.232 -5.284 -12.061 272 HB1 ALA 34 HB1 ALA 34 8.128 -2.619 -12.334 273 HB2 ALA 34 HB2 ALA 34 8.887 -3.943 -11.449 274 HB3 ALA 34 HB3 ALA 34 9.308 -3.655 -13.137 275 H ARG 35 H ARG 35 6.280 -2.921 -11.268 276 HA ARG 35 HA ARG 35 3.751 -2.773 -12.635 277 HB2 ARG 35 HB2 ARG 35 4.547 -0.883 -10.454 278 HB3 ARG 35 HB3 ARG 35 2.973 -1.589 -10.794 279 HG2 ARG 35 HG2 ARG 35 5.352 -2.937 -9.543 280 HG3 ARG 35 HG3 ARG 35 3.800 -2.565 -8.790 281 HD2 ARG 35 HD2 ARG 35 3.085 -4.580 -9.390 282 HD3 ARG 35 HD3 ARG 35 3.208 -4.077 -11.076 283 HE ARG 35 HE ARG 35 5.675 -5.019 -9.905 284 HH11 ARG 35 HH11 ARG 35 2.790 -5.859 -11.663 285 HH12 ARG 35 HH12 ARG 35 3.470 -7.297 -12.350 286 HH21 ARG 35 HH21 ARG 35 6.582 -6.910 -10.802 287 HH22 ARG 35 HH22 ARG 35 5.627 -7.894 -11.859 288 H SER 36 H SER 36 6.240 -0.357 -11.793 289 HA SER 36 HA SER 36 5.555 1.083 -14.262 290 HB2 SER 36 HB2 SER 36 6.312 3.067 -12.448 291 HB3 SER 36 HB3 SER 36 4.681 2.752 -13.040 292 HG SER 36 HG SER 36 5.157 2.729 -10.639 293 H GLY 37 H GLY 37 7.891 0.894 -11.576 294 HA2 GLY 37 HA2 GLY 37 10.199 0.624 -11.719 295 HA3 GLY 37 HA3 GLY 37 10.077 0.742 -13.469 296 H GLU 38 H GLU 38 11.617 2.124 -11.100 297 HA GLU 38 HA GLU 38 11.815 4.665 -12.453 298 HB2 GLU 38 HB2 GLU 38 10.619 4.415 -9.712 299 HB3 GLU 38 HB3 GLU 38 11.518 5.857 -10.160 300 HG2 GLU 38 HG2 GLU 38 9.974 6.055 -12.144 301 HG3 GLU 38 HG3 GLU 38 8.995 4.796 -11.392 302 H CYS 39 H CYS 39 13.532 6.049 -11.450 303 HA CYS 39 HA CYS 39 15.650 4.326 -10.354 304 HB2 CYS 39 HB2 CYS 39 15.847 6.894 -11.942 305 HB3 CYS 39 HB3 CYS 39 17.223 6.022 -11.275 306 H PHE 40 H PHE 40 16.706 4.870 -8.508 307 HA PHE 40 HA PHE 40 16.274 7.473 -7.290 308 HB2 PHE 40 HB2 PHE 40 15.456 4.905 -5.915 309 HB3 PHE 40 HB3 PHE 40 15.520 6.488 -5.147 310 HD1 PHE 40 HD1 PHE 40 14.000 8.306 -6.003 311 HD2 PHE 40 HD2 PHE 40 13.572 4.221 -7.120 312 HE1 PHE 40 HE1 PHE 40 11.686 8.747 -6.714 313 HE2 PHE 40 HE2 PHE 40 11.258 4.656 -7.834 314 HZ PHE 40 HZ PHE 40 10.312 6.920 -7.632 315 H TYR 41 H TYR 41 17.671 7.853 -5.439 316 HA TYR 41 HA TYR 41 20.254 6.642 -5.828 317 HB2 TYR 41 HB2 TYR 41 19.230 8.838 -4.039 318 HB3 TYR 41 HB3 TYR 41 20.878 8.233 -3.915 319 HD1 TYR 41 HD2 TYR 41 22.450 8.532 -5.806 320 HD2 TYR 41 HD1 TYR 41 18.567 10.271 -5.832 321 HE1 TYR 41 HE2 TYR 41 23.146 10.045 -7.616 322 HE2 TYR 41 HE1 TYR 41 19.251 11.788 -7.643 323 HH TYR 41 HH TYR 41 20.871 12.371 -9.043 324 H ASP 42 H ASP 42 21.512 5.638 -4.178 325 HA ASP 42 HA ASP 42 19.873 4.055 -2.340 326 HB2 ASP 42 HB2 ASP 42 21.785 3.237 -4.062 327 HB3 ASP 42 HB3 ASP 42 22.765 3.477 -2.619 328 H GLU 43 H GLU 43 21.702 3.321 -0.449 329 HA GLU 43 HA GLU 43 21.607 5.471 1.358 330 HB2 GLU 43 HB2 GLU 43 23.360 3.013 1.512 331 HB3 GLU 43 HB3 GLU 43 22.908 4.057 2.852 332 HG2 GLU 43 HG2 GLU 43 20.508 3.232 1.654 333 HG3 GLU 43 HG3 GLU 43 21.530 1.800 1.767 334 H LYS 44 H LYS 44 24.125 4.315 -0.793 335 HA LYS 44 HA LYS 44 26.027 6.263 0.262 336 HB2 LYS 44 HB2 LYS 44 26.208 3.751 -1.187 337 HB3 LYS 44 HB3 LYS 44 27.191 5.003 -1.935 338 HG2 LYS 44 HG2 LYS 44 27.587 5.097 0.883 339 HG3 LYS 44 HG3 LYS 44 27.780 3.431 0.332 340 HD2 LYS 44 HD2 LYS 44 29.593 3.929 -0.976 341 HD3 LYS 44 HD3 LYS 44 29.077 5.596 -1.245 342 HE2 LYS 44 HE2 LYS 44 30.491 6.247 0.338 343 HE3 LYS 44 HE3 LYS 44 29.543 5.341 1.517 344 HZ1 LYS 44 HZ1 LYS 44 31.425 4.200 1.807 345 HZ2 LYS 44 HZ2 LYS 44 32.102 4.717 0.346 346 HZ3 LYS 44 HZ3 LYS 44 31.026 3.413 0.364 347 H ARG 45 H ARG 45 23.545 6.900 -1.346 348 HA ARG 45 HA ARG 45 22.922 8.457 -2.883 349 HB2 ARG 45 HB2 ARG 45 25.849 9.190 -3.029 350 HB3 ARG 45 HB3 ARG 45 24.482 10.190 -3.501 351 HG2 ARG 45 HG2 ARG 45 24.307 9.311 -0.741 352 HG3 ARG 45 HG3 ARG 45 25.778 10.229 -1.072 353 HD2 ARG 45 HD2 ARG 45 24.312 11.959 -2.170 354 HD3 ARG 45 HD3 ARG 45 22.926 11.082 -1.522 355 HE ARG 45 HE ARG 45 23.344 12.048 0.497 356 HH11 ARG 45 HH11 ARG 45 26.264 12.141 -1.395 357 HH12 ARG 45 HH12 ARG 45 27.149 13.062 -0.224 358 HH21 ARG 45 HH21 ARG 45 24.498 13.261 2.047 359 HH22 ARG 45 HH22 ARG 45 26.143 13.698 1.733 360 H ASN 46 H ASN 46 23.418 5.837 -3.759 361 HA ASN 46 HA ASN 46 24.629 6.223 -6.411 362 HB2 ASN 46 HB2 ASN 46 23.872 3.540 -5.295 363 HB3 ASN 46 HB3 ASN 46 25.112 3.939 -6.481 364 HD21 ASN 46 HD21 ASN 46 25.231 2.413 -3.961 365 HD22 ASN 46 HD22 ASN 46 26.472 3.168 -3.026 366 H LEU 47 H LEU 47 23.187 6.745 -7.915 367 HA LEU 47 HA LEU 47 20.404 6.129 -7.678 368 HB2 LEU 47 HB2 LEU 47 21.990 7.900 -9.170 369 HB3 LEU 47 HB3 LEU 47 21.172 6.872 -10.345 370 HG LEU 47 HG LEU 47 19.792 8.488 -8.202 371 HD11 LEU 47 HD11 LEU 47 19.454 9.137 -11.057 372 HD12 LEU 47 HD12 LEU 47 21.014 9.549 -10.347 373 HD13 LEU 47 HD13 LEU 47 19.529 10.196 -9.649 374 HD21 LEU 47 HD21 LEU 47 18.845 6.266 -9.387 375 HD22 LEU 47 HD22 LEU 47 18.354 7.478 -10.571 376 HD23 LEU 47 HD23 LEU 47 17.828 7.619 -8.893 377 H GLN 48 H GLN 48 19.585 4.184 -8.047 378 HA GLN 48 HA GLN 48 20.679 2.603 -10.279 379 HB2 GLN 48 HB2 GLN 48 19.795 1.666 -7.552 380 HB3 GLN 48 HB3 GLN 48 19.989 0.574 -8.916 381 HG2 GLN 48 HG2 GLN 48 22.270 0.765 -8.928 382 HG3 GLN 48 HG3 GLN 48 22.249 2.358 -8.173 383 HE21 GLN 48 HE21 GLN 48 20.852 2.045 -5.937 384 HE22 GLN 48 HE22 GLN 48 21.586 0.882 -4.891 385 H CYS 49 H CYS 49 19.142 1.049 -11.211 386 HA CYS 49 HA CYS 49 16.569 2.297 -11.582 387 HB2 CYS 49 HB2 CYS 49 17.808 1.338 -13.486 388 HB3 CYS 49 HB3 CYS 49 17.683 -0.259 -12.756 389 H ILE 50 H ILE 50 15.421 2.053 -9.686 390 HA ILE 50 HA ILE 50 15.054 -0.611 -8.571 391 HB ILE 50 HB ILE 50 14.125 2.114 -7.683 392 HG12 ILE 50 HG12 ILE 50 15.535 0.574 -5.719 393 HG13 ILE 50 HG13 ILE 50 16.455 0.564 -7.220 394 HG21 ILE 50 HG21 ILE 50 13.248 0.916 -5.657 395 HG22 ILE 50 HG22 ILE 50 12.322 0.666 -7.137 396 HG23 ILE 50 HG23 ILE 50 13.420 -0.588 -6.562 397 HD11 ILE 50 HD11 ILE 50 17.276 2.517 -6.570 398 HD12 ILE 50 HD12 ILE 50 15.690 3.200 -6.932 399 HD13 ILE 50 HD13 ILE 50 16.073 2.681 -5.291 400 H CYS 51 H CYS 51 13.502 -1.904 -9.275 401 HA CYS 51 HA CYS 51 11.230 -0.775 -10.726 402 HB2 CYS 51 HB2 CYS 51 11.915 -3.696 -10.396 403 HB3 CYS 51 HB3 CYS 51 10.861 -2.966 -11.603 404 H ASP 52 H ASP 52 9.110 -2.043 -10.387 405 HA ASP 52 HA ASP 52 8.663 -2.324 -7.488 406 HB2 ASP 52 HB2 ASP 52 7.553 -0.351 -8.513 407 HB3 ASP 52 HB3 ASP 52 6.671 -1.436 -9.584 408 H TYR 53 H TYR 53 7.990 -4.238 -6.785 409 HA TYR 53 HA TYR 53 6.767 -6.092 -8.722 410 HB2 TYR 53 HB2 TYR 53 9.059 -6.458 -6.902 411 HB3 TYR 53 HB3 TYR 53 7.888 -7.772 -6.896 412 HD1 TYR 53 HD1 TYR 53 10.233 -5.855 -9.004 413 HD2 TYR 53 HD2 TYR 53 7.698 -9.262 -8.750 414 HE1 TYR 53 HE1 TYR 53 11.241 -6.752 -11.061 415 HE2 TYR 53 HE2 TYR 53 8.700 -10.169 -10.805 416 HH TYR 53 HH TYR 53 10.300 -9.924 -12.336 417 H CYS 54 H CYS 54 4.681 -6.216 -8.207 418 HA CYS 54 HA CYS 54 3.869 -7.275 -5.689 419 HB2 CYS 54 HB2 CYS 54 3.767 -4.371 -6.101 420 HB3 CYS 54 HB3 CYS 54 2.229 -5.072 -5.608 421 H GLU 55 H GLU 55 2.118 -5.029 -7.802 422 HA GLU 55 HA GLU 55 -0.120 -6.692 -8.085 423 HB2 GLU 55 HB2 GLU 55 0.746 -4.550 -10.028 424 HB3 GLU 55 HB3 GLU 55 -0.887 -5.141 -9.754 425 HG2 GLU 55 HG2 GLU 55 -0.826 -4.224 -7.482 426 HG3 GLU 55 HG3 GLU 55 0.795 -3.603 -7.788 427 H TYR 56 H TYR 56 -0.752 -6.798 -10.754 428 HA TYR 56 HA TYR 56 1.361 -8.355 -12.047 429 HB2 TYR 56 HB2 TYR 56 -1.358 -9.375 -11.274 430 HB3 TYR 56 HB3 TYR 56 -0.503 -10.052 -12.656 431 HD1 TYR 56 HD1 TYR 56 1.660 -11.221 -12.317 432 HD2 TYR 56 HD2 TYR 56 -0.713 -9.906 -9.040 433 HE1 TYR 56 HE1 TYR 56 2.918 -12.711 -10.817 434 HE2 TYR 56 HE2 TYR 56 0.538 -11.391 -7.530 435 HH TYR 56 HH TYR 56 3.110 -12.452 -7.707 Start of MODEL 8 1 H1 GLN 1 H GLN 1 3.161 3.884 -3.745 2 HA GLN 1 HA GLN 1 3.193 2.536 -1.547 3 HB2 GLN 1 HB2 GLN 1 2.388 0.188 -1.964 4 HB3 GLN 1 HB3 GLN 1 1.121 1.403 -1.864 5 HG2 GLN 1 HG2 GLN 1 1.901 1.194 -4.577 6 HG3 GLN 1 HG3 GLN 1 1.662 -0.437 -3.952 7 HE21 GLN 1 HE21 GLN 1 0.176 2.385 -5.076 8 HE22 GLN 1 HE22 GLN 1 -1.463 1.941 -4.759 9 H ASP 2 H ASP 2 5.240 1.932 -1.366 10 HA ASP 2 HA ASP 2 6.514 0.534 -3.617 11 HB2 ASP 2 HB2 ASP 2 8.564 1.828 -3.281 12 HB3 ASP 2 HB3 ASP 2 7.214 2.892 -3.667 13 H LYS 3 H LYS 3 5.375 -0.532 -1.201 14 HA LYS 3 HA LYS 3 7.350 -1.059 0.750 15 HB2 LYS 3 HB2 LYS 3 5.055 -1.368 1.337 16 HB3 LYS 3 HB3 LYS 3 4.799 -2.490 0.007 17 HG2 LYS 3 HG2 LYS 3 5.549 -4.238 1.178 18 HG3 LYS 3 HG3 LYS 3 6.888 -3.322 1.875 19 HD2 LYS 3 HD2 LYS 3 5.604 -2.550 3.645 20 HD3 LYS 3 HD3 LYS 3 4.084 -2.815 2.789 21 HE2 LYS 3 HE2 LYS 3 4.955 -5.338 2.896 22 HE3 LYS 3 HE3 LYS 3 5.760 -4.709 4.332 23 HZ1 LYS 3 HZ1 LYS 3 3.635 -5.580 4.945 24 HZ2 LYS 3 HZ2 LYS 3 2.846 -4.660 3.765 25 HZ3 LYS 3 HZ3 LYS 3 3.570 -3.895 5.089 26 H CYS 4 H CYS 4 6.728 -2.390 -2.369 27 HA CYS 4 HA CYS 4 8.850 -4.379 -1.914 28 HB2 CYS 4 HB2 CYS 4 7.530 -5.671 -3.795 29 HB3 CYS 4 HB3 CYS 4 7.060 -5.820 -2.105 30 H LYS 5 H LYS 5 10.416 -4.493 -3.438 31 HA LYS 5 HA LYS 5 10.107 -3.546 -6.104 32 HB2 LYS 5 HB2 LYS 5 11.496 -1.598 -6.047 33 HB3 LYS 5 HB3 LYS 5 10.242 -1.390 -4.832 34 HG2 LYS 5 HG2 LYS 5 12.512 -2.646 -3.636 35 HG3 LYS 5 HG3 LYS 5 13.027 -1.198 -4.505 36 HD2 LYS 5 HD2 LYS 5 10.754 -0.343 -3.241 37 HD3 LYS 5 HD3 LYS 5 11.438 -1.464 -2.062 38 HE2 LYS 5 HE2 LYS 5 13.351 -0.211 -1.783 39 HE3 LYS 5 HE3 LYS 5 13.217 0.540 -3.373 40 HZ1 LYS 5 HZ1 LYS 5 12.234 1.454 -0.867 41 HZ2 LYS 5 HZ2 LYS 5 10.979 1.344 -1.996 42 HZ3 LYS 5 HZ3 LYS 5 12.345 2.280 -2.339 43 H LYS 6 H LYS 6 12.338 -3.414 -7.206 44 HA LYS 6 HA LYS 6 14.293 -5.186 -5.939 45 HB2 LYS 6 HB2 LYS 6 12.968 -5.658 -8.607 46 HB3 LYS 6 HB3 LYS 6 14.497 -6.406 -8.165 47 HG2 LYS 6 HG2 LYS 6 13.284 -7.315 -6.125 48 HG3 LYS 6 HG3 LYS 6 11.794 -6.820 -6.931 49 HD2 LYS 6 HD2 LYS 6 11.826 -8.752 -8.034 50 HD3 LYS 6 HD3 LYS 6 13.281 -8.199 -8.864 51 HE2 LYS 6 HE2 LYS 6 13.616 -10.386 -7.819 52 HE3 LYS 6 HE3 LYS 6 14.666 -9.161 -7.110 53 HZ1 LYS 6 HZ1 LYS 6 12.297 -9.194 -5.643 54 HZ2 LYS 6 HZ2 LYS 6 13.839 -9.673 -5.138 55 HZ3 LYS 6 HZ3 LYS 6 12.785 -10.804 -5.826 56 H VAL 7 H VAL 7 16.112 -4.048 -5.933 57 HA VAL 7 HA VAL 7 16.627 -1.944 -7.805 58 HB VAL 7 HB VAL 7 17.417 -1.906 -5.438 59 HG11 VAL 7 HG11 VAL 7 19.735 -3.609 -6.186 60 HG12 VAL 7 HG12 VAL 7 19.009 -3.315 -4.605 61 HG13 VAL 7 HG13 VAL 7 18.224 -4.405 -5.747 62 HG21 VAL 7 HG21 VAL 7 19.170 -0.549 -5.950 63 HG22 VAL 7 HG22 VAL 7 19.883 -1.705 -7.075 64 HG23 VAL 7 HG23 VAL 7 18.496 -0.734 -7.569 65 H TYR 8 H TYR 8 18.205 -1.844 -9.403 66 HA TYR 8 HA TYR 8 19.102 -4.464 -10.394 67 HB2 TYR 8 HB2 TYR 8 17.646 -2.597 -11.716 68 HB3 TYR 8 HB3 TYR 8 19.274 -2.118 -12.184 69 HD1 TYR 8 HD1 TYR 8 20.287 -5.107 -11.974 70 HD2 TYR 8 HD2 TYR 8 17.083 -3.190 -14.016 71 HE1 TYR 8 HE1 TYR 8 20.320 -6.880 -13.679 72 HE2 TYR 8 HE2 TYR 8 17.106 -4.958 -15.725 73 HH TYR 8 HH TYR 8 18.844 -7.870 -15.335 74 H GLU 9 H GLU 9 20.998 -4.618 -9.184 75 HA GLU 9 HA GLU 9 22.927 -2.580 -8.950 76 HB2 GLU 9 HB2 GLU 9 23.451 -5.553 -8.867 77 HB3 GLU 9 HB3 GLU 9 24.408 -4.283 -8.118 78 HG2 GLU 9 HG2 GLU 9 22.525 -3.762 -6.632 79 HG3 GLU 9 HG3 GLU 9 21.605 -5.076 -7.363 80 H ASN 10 H ASN 10 22.053 -4.520 -11.586 81 HA ASN 10 HA ASN 10 24.626 -4.017 -12.924 82 HB2 ASN 10 HB2 ASN 10 22.471 -5.995 -13.699 83 HB3 ASN 10 HB3 ASN 10 24.053 -5.822 -14.455 84 HD21 ASN 10 HD21 ASN 10 22.370 -6.767 -11.533 85 HD22 ASN 10 HD22 ASN 10 23.630 -7.768 -10.904 86 H TYR 11 H TYR 11 23.346 -1.778 -12.879 87 HA TYR 11 HA TYR 11 22.418 -1.415 -15.608 88 HB2 TYR 11 HB2 TYR 11 20.503 -1.760 -13.702 89 HB3 TYR 11 HB3 TYR 11 20.711 -0.013 -13.654 90 HD1 TYR 11 HD1 TYR 11 20.090 -2.823 -16.020 91 HD2 TYR 11 HD2 TYR 11 19.626 1.330 -15.220 92 HE1 TYR 11 HE1 TYR 11 18.657 -2.606 -18.008 93 HE2 TYR 11 HE2 TYR 11 18.191 1.558 -17.204 94 HH TYR 11 HH TYR 11 16.948 0.366 -18.725 95 HA PRO 12 HA PRO 12 24.864 2.225 -15.165 96 HB2 PRO 12 HB2 PRO 12 23.959 3.581 -17.336 97 HB3 PRO 12 HB3 PRO 12 25.044 2.191 -17.455 98 HG2 PRO 12 HG2 PRO 12 22.076 2.315 -17.822 99 HG3 PRO 12 HG3 PRO 12 23.287 1.450 -18.786 100 HD2 PRO 12 HD2 PRO 12 21.755 0.216 -16.925 101 HD3 PRO 12 HD3 PRO 12 23.415 -0.298 -17.289 102 H VAL 13 H VAL 13 24.568 3.844 -13.780 103 HA VAL 13 HA VAL 13 22.008 4.762 -12.988 104 HB VAL 13 HB VAL 13 23.123 6.272 -11.529 105 HG11 VAL 13 HG11 VAL 13 23.408 3.732 -11.218 106 HG12 VAL 13 HG12 VAL 13 25.084 4.011 -11.694 107 HG13 VAL 13 HG13 VAL 13 24.427 4.812 -10.267 108 HG21 VAL 13 HG21 VAL 13 25.834 6.153 -12.020 109 HG22 VAL 13 HG22 VAL 13 25.133 6.290 -13.632 110 HG23 VAL 13 HG23 VAL 13 24.768 7.504 -12.406 111 H SER 14 H SER 14 24.080 5.641 -15.554 112 HA SER 14 HA SER 14 23.433 8.363 -15.854 113 HB2 SER 14 HB2 SER 14 24.922 6.401 -17.290 114 HB3 SER 14 HB3 SER 14 23.831 7.194 -18.426 115 HG SER 14 HG SER 14 24.664 9.213 -17.420 116 H LYS 15 H LYS 15 22.085 5.499 -17.493 117 HA LYS 15 HA LYS 15 20.104 6.828 -18.943 118 HB2 LYS 15 HB2 LYS 15 20.718 4.065 -18.205 119 HB3 LYS 15 HB3 LYS 15 18.994 4.360 -18.393 120 HG2 LYS 15 HG2 LYS 15 19.637 5.454 -20.629 121 HG3 LYS 15 HG3 LYS 15 21.179 4.620 -20.422 122 HD2 LYS 15 HD2 LYS 15 19.001 2.819 -19.900 123 HD3 LYS 15 HD3 LYS 15 18.793 3.582 -21.479 124 HE2 LYS 15 HE2 LYS 15 21.354 2.997 -21.712 125 HE3 LYS 15 HE3 LYS 15 20.955 1.783 -20.499 126 HZ1 LYS 15 HZ1 LYS 15 19.096 1.109 -22.036 127 HZ2 LYS 15 HZ2 LYS 15 20.661 0.753 -22.571 128 HZ3 LYS 15 HZ3 LYS 15 19.826 2.074 -23.220 129 H CYS 16 H CYS 16 20.251 5.935 -15.598 130 HA CYS 16 HA CYS 16 17.454 6.083 -15.065 131 HB2 CYS 16 HB2 CYS 16 19.941 5.952 -13.422 132 HB3 CYS 16 HB3 CYS 16 18.458 6.491 -12.641 133 H GLN 17 H GLN 17 20.089 8.389 -15.093 134 HA GLN 17 HA GLN 17 18.525 10.483 -13.867 135 HB2 GLN 17 HB2 GLN 17 21.257 10.438 -15.145 136 HB3 GLN 17 HB3 GLN 17 20.523 11.904 -14.509 137 HG2 GLN 17 HG2 GLN 17 20.728 9.514 -12.749 138 HG3 GLN 17 HG3 GLN 17 22.169 10.480 -13.061 139 HE21 GLN 17 HE21 GLN 17 22.245 11.074 -10.872 140 HE22 GLN 17 HE22 GLN 17 21.170 12.260 -10.222 141 H LEU 18 H LEU 18 18.778 9.165 -16.951 142 HA LEU 18 HA LEU 18 18.453 11.512 -18.524 143 HB2 LEU 18 HB2 LEU 18 18.343 8.600 -18.944 144 HB3 LEU 18 HB3 LEU 18 17.371 9.561 -20.057 145 HG LEU 18 HG LEU 18 20.277 10.166 -19.616 146 HD11 LEU 18 HD11 LEU 18 20.940 8.341 -20.680 147 HD12 LEU 18 HD12 LEU 18 19.851 8.691 -22.022 148 HD13 LEU 18 HD13 LEU 18 19.281 7.741 -20.651 149 HD21 LEU 18 HD21 LEU 18 18.669 10.513 -22.120 150 HD22 LEU 18 HD22 LEU 18 20.129 11.359 -21.605 151 HD23 LEU 18 HD23 LEU 18 18.587 11.701 -20.818 152 H ARG 19 H ARG 19 16.795 12.646 -17.382 153 HA ARG 19 HA ARG 19 14.216 11.625 -16.918 154 HB2 ARG 19 HB2 ARG 19 15.526 14.250 -16.859 155 HB3 ARG 19 HB3 ARG 19 13.816 14.320 -17.264 156 HG2 ARG 19 HG2 ARG 19 13.494 12.813 -15.197 157 HG3 ARG 19 HG3 ARG 19 15.120 13.342 -14.758 158 HD2 ARG 19 HD2 ARG 19 12.873 15.235 -15.418 159 HD3 ARG 19 HD3 ARG 19 13.240 14.696 -13.780 160 HE ARG 19 HE ARG 19 14.685 16.631 -15.331 161 HH11 ARG 19 HH11 ARG 19 14.897 14.316 -12.739 162 HH12 ARG 19 HH12 ARG 19 16.242 15.097 -11.977 163 HH21 ARG 19 HH21 ARG 19 16.457 17.669 -14.336 164 HH22 ARG 19 HH22 ARG 19 17.128 17.005 -12.885 165 H ILE 20 H ILE 20 15.750 12.827 -19.772 166 HA ILE 20 HA ILE 20 13.326 13.378 -21.211 167 HB ILE 20 HB ILE 20 16.041 12.899 -22.425 168 HG12 ILE 20 HG12 ILE 20 14.927 15.465 -21.271 169 HG13 ILE 20 HG13 ILE 20 16.274 14.538 -20.618 170 HG21 ILE 20 HG21 ILE 20 15.256 14.242 -24.228 171 HG22 ILE 20 HG22 ILE 20 14.016 13.035 -23.893 172 HG23 ILE 20 HG23 ILE 20 13.803 14.694 -23.336 173 HD11 ILE 20 HD11 ILE 20 16.320 16.602 -22.546 174 HD12 ILE 20 HD12 ILE 20 17.671 15.674 -21.893 175 HD13 ILE 20 HD13 ILE 20 16.831 15.112 -23.338 176 H ALA 21 H ALA 21 15.410 10.628 -20.739 177 HA ALA 21 HA ALA 21 13.496 8.958 -22.170 178 HB1 ALA 21 HB1 ALA 21 15.353 9.659 -23.755 179 HB2 ALA 21 HB2 ALA 21 16.426 8.666 -22.769 180 HB3 ALA 21 HB3 ALA 21 15.056 7.927 -23.598 181 H ASN 22 H ASN 22 13.012 8.313 -19.988 182 HA ASN 22 HA ASN 22 15.052 6.976 -18.440 183 HB2 ASN 22 HB2 ASN 22 12.811 8.295 -17.717 184 HB3 ASN 22 HB3 ASN 22 12.198 6.644 -17.712 185 HD21 ASN 22 HD21 ASN 22 11.978 6.386 -15.554 186 HD22 ASN 22 HD22 ASN 22 13.299 6.399 -14.439 187 H GLN 23 H GLN 23 15.680 5.285 -19.837 188 HA GLN 23 HA GLN 23 13.775 3.364 -20.788 189 HB2 GLN 23 HB2 GLN 23 16.538 3.965 -21.226 190 HB3 GLN 23 HB3 GLN 23 16.387 2.261 -20.820 191 HG2 GLN 23 HG2 GLN 23 14.575 3.460 -22.862 192 HG3 GLN 23 HG3 GLN 23 16.231 3.039 -23.293 193 HE21 GLN 23 HE21 GLN 23 13.230 1.956 -23.515 194 HE22 GLN 23 HE22 GLN 23 13.486 0.250 -23.434 195 H CYS 24 H CYS 24 14.989 3.960 -17.785 196 HA CYS 24 HA CYS 24 15.593 1.366 -16.830 197 HB2 CYS 24 HB2 CYS 24 15.442 4.013 -15.765 198 HB3 CYS 24 HB3 CYS 24 14.525 2.939 -14.714 199 H ASN 25 H ASN 25 12.672 3.357 -16.337 200 HA ASN 25 HA ASN 25 11.133 1.367 -15.124 201 HB2 ASN 25 HB2 ASN 25 9.233 2.777 -15.526 202 HB3 ASN 25 HB3 ASN 25 10.607 3.824 -15.183 203 HD21 ASN 25 HD21 ASN 25 8.483 2.606 -17.667 204 HD22 ASN 25 HD22 ASN 25 8.823 3.834 -18.833 205 H TYR 26 H TYR 26 11.589 2.180 -18.521 206 HA TYR 26 HA TYR 26 9.585 0.409 -19.503 207 HB2 TYR 26 HB2 TYR 26 11.069 2.436 -20.598 208 HB3 TYR 26 HB3 TYR 26 11.815 1.014 -21.319 209 HD1 TYR 26 HD2 TYR 26 10.529 -0.448 -22.802 210 HD2 TYR 26 HD1 TYR 26 8.810 3.078 -21.155 211 HE1 TYR 26 HE2 TYR 26 8.708 -0.573 -24.451 212 HE2 TYR 26 HE1 TYR 26 6.983 2.962 -22.798 213 HH TYR 26 HH TYR 26 5.876 1.029 -24.186 214 H ASP 27 H ASP 27 13.021 0.129 -18.842 215 HA ASP 27 HA ASP 27 13.400 -2.372 -20.134 216 HB2 ASP 27 HB2 ASP 27 15.373 -1.161 -19.754 217 HB3 ASP 27 HB3 ASP 27 14.951 -0.822 -18.078 218 H CYS 28 H CYS 28 12.690 -1.444 -16.790 219 HA CYS 28 HA CYS 28 12.900 -3.897 -15.543 220 HB2 CYS 28 HB2 CYS 28 11.092 -1.542 -15.059 221 HB3 CYS 28 HB3 CYS 28 10.999 -2.980 -14.047 222 H LYS 29 H LYS 29 9.905 -2.490 -16.879 223 HA LYS 29 HA LYS 29 8.345 -4.807 -16.554 224 HB2 LYS 29 HB2 LYS 29 7.949 -2.649 -18.630 225 HB3 LYS 29 HB3 LYS 29 6.724 -3.731 -17.981 226 HG2 LYS 29 HG2 LYS 29 6.588 -2.601 -15.982 227 HG3 LYS 29 HG3 LYS 29 8.210 -1.921 -16.134 228 HD2 LYS 29 HD2 LYS 29 6.633 -0.154 -16.474 229 HD3 LYS 29 HD3 LYS 29 7.367 -0.534 -18.034 230 HE2 LYS 29 HE2 LYS 29 4.923 -0.200 -18.173 231 HE3 LYS 29 HE3 LYS 29 5.426 -1.811 -18.682 232 HZ1 LYS 29 HZ1 LYS 29 3.437 -1.396 -16.997 233 HZ2 LYS 29 HZ2 LYS 29 4.703 -1.493 -15.879 234 HZ3 LYS 29 HZ3 LYS 29 4.406 -2.782 -16.934 235 H LEU 30 H LEU 30 10.543 -3.798 -19.064 236 HA LEU 30 HA LEU 30 9.732 -5.385 -21.186 237 HB2 LEU 30 HB2 LEU 30 11.799 -3.696 -20.730 238 HB3 LEU 30 HB3 LEU 30 12.638 -5.246 -20.744 239 HG LEU 30 HG LEU 30 12.784 -4.348 -22.934 240 HD11 LEU 30 HD11 LEU 30 12.036 -6.138 -24.158 241 HD12 LEU 30 HD12 LEU 30 10.502 -6.232 -23.293 242 HD13 LEU 30 HD13 LEU 30 11.983 -6.805 -22.526 243 HD21 LEU 30 HD21 LEU 30 11.199 -2.695 -23.150 244 HD22 LEU 30 HD22 LEU 30 9.897 -3.708 -22.526 245 HD23 LEU 30 HD23 LEU 30 10.508 -3.964 -24.161 246 H ASP 31 H ASP 31 12.067 -6.205 -18.624 247 HA ASP 31 HA ASP 31 11.728 -9.041 -19.338 248 HB2 ASP 31 HB2 ASP 31 14.046 -7.437 -18.567 249 HB3 ASP 31 HB3 ASP 31 13.896 -8.917 -17.624 250 H LYS 32 H LYS 32 12.637 -7.242 -16.396 251 HA LYS 32 HA LYS 32 11.789 -9.078 -14.535 252 HB2 LYS 32 HB2 LYS 32 11.508 -6.092 -14.187 253 HB3 LYS 32 HB3 LYS 32 11.759 -7.295 -12.929 254 HG2 LYS 32 HG2 LYS 32 13.931 -7.714 -14.504 255 HG3 LYS 32 HG3 LYS 32 13.689 -5.975 -14.691 256 HD2 LYS 32 HD2 LYS 32 13.568 -5.837 -12.177 257 HD3 LYS 32 HD3 LYS 32 14.097 -7.521 -12.136 258 HE2 LYS 32 HE2 LYS 32 16.171 -6.981 -13.160 259 HE3 LYS 32 HE3 LYS 32 15.624 -5.354 -13.562 260 HZ1 LYS 32 HZ1 LYS 32 15.381 -5.688 -10.800 261 HZ2 LYS 32 HZ2 LYS 32 16.428 -4.658 -11.638 262 HZ3 LYS 32 HZ3 LYS 32 16.925 -6.225 -11.238 263 H HIS 33 H HIS 33 9.875 -6.877 -16.436 264 HA HIS 33 HA HIS 33 7.629 -6.687 -16.751 265 HB2 HIS 33 HB2 HIS 33 7.949 -9.304 -16.536 266 HB3 HIS 33 HB3 HIS 33 7.064 -9.065 -15.033 267 HD1 HIS 33 HD1 HIS 33 6.632 -9.245 -18.690 268 HD2 HIS 33 HD2 HIS 33 4.390 -8.099 -15.385 269 HE1 HIS 33 HE1 HIS 33 4.256 -9.114 -19.502 270 H ALA 34 H ALA 34 8.966 -5.483 -14.451 271 HA ALA 34 HA ALA 34 7.498 -5.629 -12.090 272 HB1 ALA 34 HB1 ALA 34 8.291 -3.150 -11.875 273 HB2 ALA 34 HB2 ALA 34 9.468 -4.463 -11.858 274 HB3 ALA 34 HB3 ALA 34 9.213 -3.527 -13.331 275 H ARG 35 H ARG 35 6.362 -3.430 -11.300 276 HA ARG 35 HA ARG 35 3.905 -3.330 -12.772 277 HB2 ARG 35 HB2 ARG 35 4.644 -1.502 -10.498 278 HB3 ARG 35 HB3 ARG 35 3.047 -2.062 -10.975 279 HG2 ARG 35 HG2 ARG 35 3.612 -4.320 -10.239 280 HG3 ARG 35 HG3 ARG 35 5.218 -3.762 -9.767 281 HD2 ARG 35 HD2 ARG 35 3.138 -2.114 -8.617 282 HD3 ARG 35 HD3 ARG 35 2.927 -3.811 -8.188 283 HE ARG 35 HE ARG 35 5.530 -3.427 -7.679 284 HH11 ARG 35 HH11 ARG 35 2.698 -1.598 -6.812 285 HH12 ARG 35 HH12 ARG 35 3.373 -1.007 -5.330 286 HH21 ARG 35 HH21 ARG 35 6.431 -2.655 -5.730 287 HH22 ARG 35 HH22 ARG 35 5.497 -1.608 -4.716 288 H SER 36 H SER 36 6.259 -0.820 -11.826 289 HA SER 36 HA SER 36 5.573 0.623 -14.297 290 HB2 SER 36 HB2 SER 36 6.279 2.599 -12.455 291 HB3 SER 36 HB3 SER 36 4.656 2.253 -13.053 292 HG SER 36 HG SER 36 4.313 0.927 -11.290 293 H GLY 37 H GLY 37 7.904 0.453 -11.605 294 HA2 GLY 37 HA2 GLY 37 10.219 0.219 -11.758 295 HA3 GLY 37 HA3 GLY 37 10.097 0.396 -13.502 296 H GLU 38 H GLU 38 11.638 1.720 -11.123 297 HA GLU 38 HA GLU 38 11.758 4.315 -12.371 298 HB2 GLU 38 HB2 GLU 38 10.577 3.927 -9.644 299 HB3 GLU 38 HB3 GLU 38 11.472 5.395 -10.010 300 HG2 GLU 38 HG2 GLU 38 9.930 5.672 -11.999 301 HG3 GLU 38 HG3 GLU 38 8.946 4.397 -11.283 302 H CYS 39 H CYS 39 13.447 5.705 -11.307 303 HA CYS 39 HA CYS 39 15.598 3.992 -10.251 304 HB2 CYS 39 HB2 CYS 39 15.773 6.525 -11.895 305 HB3 CYS 39 HB3 CYS 39 17.159 5.680 -11.213 306 H PHE 40 H PHE 40 16.667 4.576 -8.424 307 HA PHE 40 HA PHE 40 16.279 7.204 -7.263 308 HB2 PHE 40 HB2 PHE 40 15.371 4.708 -5.814 309 HB3 PHE 40 HB3 PHE 40 15.442 6.324 -5.119 310 HD1 PHE 40 HD1 PHE 40 13.959 8.117 -6.066 311 HD2 PHE 40 HD2 PHE 40 13.515 4.001 -7.056 312 HE1 PHE 40 HE1 PHE 40 11.669 8.556 -6.851 313 HE2 PHE 40 HE2 PHE 40 11.225 4.434 -7.844 314 HZ PHE 40 HZ PHE 40 10.299 6.714 -7.743 315 H TYR 41 H TYR 41 17.690 7.614 -5.453 316 HA TYR 41 HA TYR 41 20.248 6.407 -5.784 317 HB2 TYR 41 HB2 TYR 41 19.203 8.378 -3.745 318 HB3 TYR 41 HB3 TYR 41 20.887 7.876 -3.846 319 HD1 TYR 41 HD1 TYR 41 18.203 9.752 -5.520 320 HD2 TYR 41 HD2 TYR 41 22.324 8.696 -5.592 321 HE1 TYR 41 HE1 TYR 41 18.618 11.507 -7.193 322 HE2 TYR 41 HE2 TYR 41 22.750 10.449 -7.264 323 HH TYR 41 HH TYR 41 20.944 12.923 -7.837 324 H ASP 42 H ASP 42 21.487 5.295 -4.190 325 HA ASP 42 HA ASP 42 19.821 3.669 -2.391 326 HB2 ASP 42 HB2 ASP 42 21.264 1.876 -2.713 327 HB3 ASP 42 HB3 ASP 42 21.278 2.644 -4.298 328 H GLU 43 H GLU 43 21.708 2.628 -0.725 329 HA GLU 43 HA GLU 43 21.965 4.547 1.260 330 HB2 GLU 43 HB2 GLU 43 23.755 2.138 0.927 331 HB3 GLU 43 HB3 GLU 43 23.381 2.980 2.424 332 HG2 GLU 43 HG2 GLU 43 20.975 2.323 2.046 333 HG3 GLU 43 HG3 GLU 43 21.560 1.268 0.762 334 H LYS 44 H LYS 44 24.223 3.608 -1.271 335 HA LYS 44 HA LYS 44 26.252 5.441 -0.269 336 HB2 LYS 44 HB2 LYS 44 26.154 3.338 -2.391 337 HB3 LYS 44 HB3 LYS 44 27.378 4.595 -2.500 338 HG2 LYS 44 HG2 LYS 44 27.142 3.308 0.130 339 HG3 LYS 44 HG3 LYS 44 27.697 2.263 -1.180 340 HD2 LYS 44 HD2 LYS 44 29.320 4.199 -1.725 341 HD3 LYS 44 HD3 LYS 44 28.951 4.760 -0.092 342 HE2 LYS 44 HE2 LYS 44 29.512 2.313 0.585 343 HE3 LYS 44 HE3 LYS 44 30.332 2.256 -0.974 344 HZ1 LYS 44 HZ1 LYS 44 31.898 3.761 -0.311 345 HZ2 LYS 44 HZ2 LYS 44 31.596 2.994 1.166 346 HZ3 LYS 44 HZ3 LYS 44 30.894 4.496 0.835 347 H ARG 45 H ARG 45 23.657 6.421 -1.280 348 HA ARG 45 HA ARG 45 22.795 8.033 -2.643 349 HB2 ARG 45 HB2 ARG 45 25.660 8.992 -2.729 350 HB3 ARG 45 HB3 ARG 45 24.221 9.956 -3.030 351 HG2 ARG 45 HG2 ARG 45 24.137 8.660 -0.440 352 HG3 ARG 45 HG3 ARG 45 25.555 9.693 -0.629 353 HD2 ARG 45 HD2 ARG 45 23.653 11.297 -1.664 354 HD3 ARG 45 HD3 ARG 45 22.694 10.396 -0.490 355 HE ARG 45 HE ARG 45 25.054 11.289 0.743 356 HH11 ARG 45 HH11 ARG 45 22.064 12.525 -0.544 357 HH12 ARG 45 HH12 ARG 45 22.021 13.893 0.519 358 HH21 ARG 45 HH21 ARG 45 25.009 13.086 2.147 359 HH22 ARG 45 HH22 ARG 45 23.697 14.211 2.048 360 H ASN 46 H ASN 46 23.320 5.686 -4.005 361 HA ASN 46 HA ASN 46 24.307 6.651 -6.609 362 HB2 ASN 46 HB2 ASN 46 24.220 3.790 -5.628 363 HB3 ASN 46 HB3 ASN 46 24.904 4.357 -7.148 364 HD21 ASN 46 HD21 ASN 46 26.109 2.910 -4.882 365 HD22 ASN 46 HD22 ASN 46 27.464 3.865 -4.395 366 H LEU 47 H LEU 47 22.790 6.922 -8.096 367 HA LEU 47 HA LEU 47 20.100 6.098 -7.701 368 HB2 LEU 47 HB2 LEU 47 21.539 7.813 -9.461 369 HB3 LEU 47 HB3 LEU 47 20.537 6.734 -10.429 370 HG LEU 47 HG LEU 47 19.420 8.357 -8.156 371 HD11 LEU 47 HD11 LEU 47 19.396 10.220 -9.367 372 HD12 LEU 47 HD12 LEU 47 18.815 9.367 -10.796 373 HD13 LEU 47 HD13 LEU 47 20.543 9.436 -10.453 374 HD21 LEU 47 HD21 LEU 47 18.303 6.292 -9.397 375 HD22 LEU 47 HD22 LEU 47 17.890 7.547 -10.565 376 HD23 LEU 47 HD23 LEU 47 17.369 7.699 -8.887 377 H GLN 48 H GLN 48 19.526 4.025 -7.810 378 HA GLN 48 HA GLN 48 20.657 2.368 -9.964 379 HB2 GLN 48 HB2 GLN 48 19.540 1.611 -7.266 380 HB3 GLN 48 HB3 GLN 48 19.890 0.434 -8.525 381 HG2 GLN 48 HG2 GLN 48 22.253 1.371 -8.522 382 HG3 GLN 48 HG3 GLN 48 21.808 2.177 -7.019 383 HE21 GLN 48 HE21 GLN 48 21.350 0.924 -5.189 384 HE22 GLN 48 HE22 GLN 48 21.880 -0.715 -5.057 385 H CYS 49 H CYS 49 19.204 0.740 -10.901 386 HA CYS 49 HA CYS 49 16.648 1.935 -11.530 387 HB2 CYS 49 HB2 CYS 49 18.335 0.662 -13.106 388 HB3 CYS 49 HB3 CYS 49 17.470 -0.761 -12.534 389 H ILE 50 H ILE 50 15.522 1.737 -9.561 390 HA ILE 50 HA ILE 50 15.072 -0.896 -8.440 391 HB ILE 50 HB ILE 50 14.093 1.849 -7.683 392 HG12 ILE 50 HG12 ILE 50 15.384 0.264 -5.633 393 HG13 ILE 50 HG13 ILE 50 16.399 0.376 -7.067 394 HG21 ILE 50 HG21 ILE 50 13.085 0.696 -5.681 395 HG22 ILE 50 HG22 ILE 50 12.240 0.454 -7.208 396 HG23 ILE 50 HG23 ILE 50 13.275 -0.820 -6.562 397 HD11 ILE 50 HD11 ILE 50 17.098 2.295 -6.185 398 HD12 ILE 50 HD12 ILE 50 15.560 2.954 -6.745 399 HD13 ILE 50 HD13 ILE 50 15.726 2.394 -5.081 400 H CYS 51 H CYS 51 13.646 -2.225 -9.328 401 HA CYS 51 HA CYS 51 11.408 -1.156 -10.864 402 HB2 CYS 51 HB2 CYS 51 12.157 -4.057 -10.478 403 HB3 CYS 51 HB3 CYS 51 11.130 -3.371 -11.733 404 H ASP 52 H ASP 52 9.241 -2.003 -10.557 405 HA ASP 52 HA ASP 52 8.654 -2.374 -7.711 406 HB2 ASP 52 HB2 ASP 52 7.377 -0.957 -9.881 407 HB3 ASP 52 HB3 ASP 52 6.246 -2.076 -9.125 408 H TYR 53 H TYR 53 8.196 -4.330 -6.974 409 HA TYR 53 HA TYR 53 7.060 -6.307 -8.841 410 HB2 TYR 53 HB2 TYR 53 9.347 -6.476 -6.995 411 HB3 TYR 53 HB3 TYR 53 8.235 -7.838 -6.905 412 HD1 TYR 53 HD2 TYR 53 7.918 -9.315 -8.828 413 HD2 TYR 53 HD1 TYR 53 10.688 -6.089 -8.967 414 HE1 TYR 53 HE2 TYR 53 8.959 -10.303 -10.825 415 HE2 TYR 53 HE1 TYR 53 11.736 -7.067 -10.966 416 HH TYR 53 HH TYR 53 11.757 -9.816 -11.873 417 H CYS 54 H CYS 54 4.969 -6.484 -8.353 418 HA CYS 54 HA CYS 54 4.084 -7.634 -5.960 419 HB2 CYS 54 HB2 CYS 54 4.305 -4.737 -5.908 420 HB3 CYS 54 HB3 CYS 54 2.649 -5.266 -5.631 421 H GLU 55 H GLU 55 3.319 -5.635 -8.743 422 HA GLU 55 HA GLU 55 0.882 -7.232 -9.134 423 HB2 GLU 55 HB2 GLU 55 1.185 -4.245 -9.272 424 HB3 GLU 55 HB3 GLU 55 -0.068 -5.068 -10.191 425 HG2 GLU 55 HG2 GLU 55 -0.596 -6.150 -7.848 426 HG3 GLU 55 HG3 GLU 55 0.201 -4.693 -7.259 427 H TYR 56 H TYR 56 0.027 -6.494 -11.514 428 HA TYR 56 HA TYR 56 2.335 -6.580 -13.332 429 HB2 TYR 56 HB2 TYR 56 -0.134 -8.294 -13.649 430 HB3 TYR 56 HB3 TYR 56 1.305 -8.313 -14.663 431 HD1 TYR 56 HD1 TYR 56 3.559 -8.659 -13.154 432 HD2 TYR 56 HD2 TYR 56 -0.341 -10.071 -12.207 433 HE1 TYR 56 HE1 TYR 56 4.544 -10.406 -11.730 434 HE2 TYR 56 HE2 TYR 56 0.633 -11.821 -10.779 435 HH TYR 56 HH TYR 56 4.150 -12.098 -10.353 Start of MODEL 9 1 H1 GLN 1 H GLN 1 0.990 2.614 -5.283 2 HA GLN 1 HA GLN 1 1.628 2.271 -2.428 3 HB2 GLN 1 HB2 GLN 1 -0.118 0.702 -3.958 4 HB3 GLN 1 HB3 GLN 1 1.355 -0.248 -3.820 5 HG2 GLN 1 HG2 GLN 1 1.079 -0.610 -1.619 6 HG3 GLN 1 HG3 GLN 1 0.408 0.994 -1.329 7 HE21 GLN 1 HE21 GLN 1 -1.822 1.336 -2.165 8 HE22 GLN 1 HE22 GLN 1 -2.940 0.027 -2.017 9 H ASP 2 H ASP 2 3.708 1.943 -1.999 10 HA ASP 2 HA ASP 2 5.428 0.686 -3.996 11 HB2 ASP 2 HB2 ASP 2 7.160 2.457 -3.670 12 HB3 ASP 2 HB3 ASP 2 5.711 3.028 -4.493 13 H LYS 3 H LYS 3 5.111 -0.987 -2.303 14 HA LYS 3 HA LYS 3 6.880 -0.547 0.010 15 HB2 LYS 3 HB2 LYS 3 4.675 -1.057 0.772 16 HB3 LYS 3 HB3 LYS 3 4.523 -2.393 -0.362 17 HG2 LYS 3 HG2 LYS 3 5.555 -3.829 1.006 18 HG3 LYS 3 HG3 LYS 3 6.777 -2.649 1.484 19 HD2 LYS 3 HD2 LYS 3 5.395 -1.730 3.146 20 HD3 LYS 3 HD3 LYS 3 3.946 -2.484 2.477 21 HE2 LYS 3 HE2 LYS 3 4.706 -4.663 3.161 22 HE3 LYS 3 HE3 LYS 3 6.256 -4.004 3.682 23 HZ1 LYS 3 HZ1 LYS 3 4.519 -2.529 5.100 24 HZ2 LYS 3 HZ2 LYS 3 5.273 -3.930 5.675 25 HZ3 LYS 3 HZ3 LYS 3 3.707 -4.012 5.040 26 H CYS 4 H CYS 4 6.333 -2.406 -2.838 27 HA CYS 4 HA CYS 4 8.585 -4.171 -2.128 28 HB2 CYS 4 HB2 CYS 4 6.709 -4.879 -4.339 29 HB3 CYS 4 HB3 CYS 4 7.609 -5.932 -3.252 30 H LYS 5 H LYS 5 10.293 -4.337 -3.506 31 HA LYS 5 HA LYS 5 10.240 -3.401 -6.198 32 HB2 LYS 5 HB2 LYS 5 11.586 -1.456 -6.033 33 HB3 LYS 5 HB3 LYS 5 10.300 -1.258 -4.849 34 HG2 LYS 5 HG2 LYS 5 12.493 -2.551 -3.583 35 HG3 LYS 5 HG3 LYS 5 13.094 -1.136 -4.451 36 HD2 LYS 5 HD2 LYS 5 10.830 -0.156 -3.286 37 HD3 LYS 5 HD3 LYS 5 11.386 -1.310 -2.072 38 HE2 LYS 5 HE2 LYS 5 13.210 0.732 -3.314 39 HE3 LYS 5 HE3 LYS 5 12.247 1.076 -1.878 40 HZ1 LYS 5 HZ1 LYS 5 13.904 -1.337 -1.881 41 HZ2 LYS 5 HZ2 LYS 5 13.486 -0.318 -0.598 42 HZ3 LYS 5 HZ3 LYS 5 14.680 0.155 -1.698 43 H LYS 6 H LYS 6 12.533 -3.349 -7.120 44 HA LYS 6 HA LYS 6 14.414 -5.032 -5.660 45 HB2 LYS 6 HB2 LYS 6 13.169 -5.776 -8.306 46 HB3 LYS 6 HB3 LYS 6 14.682 -6.473 -7.739 47 HG2 LYS 6 HG2 LYS 6 13.406 -7.177 -5.660 48 HG3 LYS 6 HG3 LYS 6 11.941 -6.758 -6.550 49 HD2 LYS 6 HD2 LYS 6 12.022 -8.884 -7.268 50 HD3 LYS 6 HD3 LYS 6 13.269 -8.294 -8.369 51 HE2 LYS 6 HE2 LYS 6 14.960 -8.853 -6.610 52 HE3 LYS 6 HE3 LYS 6 13.665 -9.618 -5.691 53 HZ1 LYS 6 HZ1 LYS 6 14.331 -11.425 -6.822 54 HZ2 LYS 6 HZ2 LYS 6 15.031 -10.536 -8.080 55 HZ3 LYS 6 HZ3 LYS 6 13.359 -10.796 -8.056 56 H VAL 7 H VAL 7 16.251 -3.929 -5.734 57 HA VAL 7 HA VAL 7 16.818 -1.938 -7.675 58 HB VAL 7 HB VAL 7 18.626 -3.270 -5.655 59 HG11 VAL 7 HG11 VAL 7 19.830 -0.932 -6.123 60 HG12 VAL 7 HG12 VAL 7 20.227 -2.404 -7.010 61 HG13 VAL 7 HG13 VAL 7 19.137 -1.212 -7.720 62 HG21 VAL 7 HG21 VAL 7 16.523 -1.644 -5.164 63 HG22 VAL 7 HG22 VAL 7 17.960 -1.733 -4.146 64 HG23 VAL 7 HG23 VAL 7 17.814 -0.457 -5.355 65 H TYR 8 H TYR 8 18.147 -1.957 -9.440 66 HA TYR 8 HA TYR 8 19.111 -4.603 -10.306 67 HB2 TYR 8 HB2 TYR 8 17.254 -3.479 -11.645 68 HB3 TYR 8 HB3 TYR 8 18.459 -2.293 -12.133 69 HD1 TYR 8 HD1 TYR 8 18.993 -5.936 -11.680 70 HD2 TYR 8 HD2 TYR 8 18.607 -2.725 -14.444 71 HE1 TYR 8 HE1 TYR 8 19.713 -7.425 -13.500 72 HE2 TYR 8 HE2 TYR 8 19.325 -4.205 -16.272 73 HH TYR 8 HH TYR 8 19.202 -7.194 -16.376 74 H GLU 9 H GLU 9 21.088 -4.172 -9.118 75 HA GLU 9 HA GLU 9 22.787 -2.014 -9.512 76 HB2 GLU 9 HB2 GLU 9 23.673 -4.870 -9.088 77 HB3 GLU 9 HB3 GLU 9 24.560 -3.411 -8.669 78 HG2 GLU 9 HG2 GLU 9 22.767 -2.848 -7.052 79 HG3 GLU 9 HG3 GLU 9 22.015 -4.402 -7.410 80 H ASN 10 H ASN 10 22.013 -4.612 -11.632 81 HA ASN 10 HA ASN 10 24.355 -4.246 -13.302 82 HB2 ASN 10 HB2 ASN 10 21.998 -6.089 -13.316 83 HB3 ASN 10 HB3 ASN 10 22.914 -5.865 -14.803 84 HD21 ASN 10 HD21 ASN 10 23.757 -6.168 -11.368 85 HD22 ASN 10 HD22 ASN 10 24.912 -7.433 -11.590 86 H TYR 11 H TYR 11 23.216 -1.848 -13.158 87 HA TYR 11 HA TYR 11 22.286 -1.421 -15.878 88 HB2 TYR 11 HB2 TYR 11 20.356 -1.655 -14.004 89 HB3 TYR 11 HB3 TYR 11 20.713 0.062 -13.852 90 HD1 TYR 11 HD2 TYR 11 20.167 -2.437 -16.584 91 HD2 TYR 11 HD1 TYR 11 19.429 1.489 -15.120 92 HE1 TYR 11 HE2 TYR 11 18.758 -1.977 -18.547 93 HE2 TYR 11 HE1 TYR 11 18.017 1.960 -17.079 94 HH TYR 11 HH TYR 11 18.065 0.567 -19.759 95 HA PRO 12 HA PRO 12 24.990 2.036 -15.469 96 HB2 PRO 12 HB2 PRO 12 24.159 3.451 -17.631 97 HB3 PRO 12 HB3 PRO 12 25.141 1.987 -17.761 98 HG2 PRO 12 HG2 PRO 12 22.185 2.321 -18.094 99 HG3 PRO 12 HG3 PRO 12 23.320 1.372 -19.070 100 HD2 PRO 12 HD2 PRO 12 21.726 0.252 -17.190 101 HD3 PRO 12 HD3 PRO 12 23.341 -0.379 -17.571 102 H VAL 13 H VAL 13 24.785 3.608 -14.014 103 HA VAL 13 HA VAL 13 22.340 4.712 -13.182 104 HB VAL 13 HB VAL 13 23.603 6.217 -11.821 105 HG11 VAL 13 HG11 VAL 13 23.704 3.667 -11.435 106 HG12 VAL 13 HG12 VAL 13 25.386 3.814 -11.949 107 HG13 VAL 13 HG13 VAL 13 24.813 4.704 -10.538 108 HG21 VAL 13 HG21 VAL 13 25.283 7.285 -12.848 109 HG22 VAL 13 HG22 VAL 13 26.271 5.913 -12.347 110 HG23 VAL 13 HG23 VAL 13 25.572 5.952 -13.966 111 H SER 14 H SER 14 24.342 5.454 -15.846 112 HA SER 14 HA SER 14 23.799 8.200 -16.162 113 HB2 SER 14 HB2 SER 14 25.157 6.158 -17.619 114 HB3 SER 14 HB3 SER 14 24.062 6.983 -18.728 115 HG SER 14 HG SER 14 25.082 8.940 -17.511 116 H LYS 15 H LYS 15 22.295 5.378 -17.740 117 HA LYS 15 HA LYS 15 20.309 6.781 -19.116 118 HB2 LYS 15 HB2 LYS 15 20.843 3.988 -18.398 119 HB3 LYS 15 HB3 LYS 15 19.133 4.355 -18.578 120 HG2 LYS 15 HG2 LYS 15 19.783 5.415 -20.813 121 HG3 LYS 15 HG3 LYS 15 21.318 4.566 -20.617 122 HD2 LYS 15 HD2 LYS 15 19.098 2.802 -20.092 123 HD3 LYS 15 HD3 LYS 15 18.940 3.550 -21.683 124 HE2 LYS 15 HE2 LYS 15 21.544 2.902 -21.743 125 HE3 LYS 15 HE3 LYS 15 20.953 1.637 -20.666 126 HZ1 LYS 15 HZ1 LYS 15 20.248 0.551 -22.443 127 HZ2 LYS 15 HZ2 LYS 15 20.720 1.812 -23.466 128 HZ3 LYS 15 HZ3 LYS 15 19.169 1.807 -22.790 129 H CYS 16 H CYS 16 20.527 5.809 -15.789 130 HA CYS 16 HA CYS 16 17.768 6.031 -15.150 131 HB2 CYS 16 HB2 CYS 16 20.302 5.711 -13.672 132 HB3 CYS 16 HB3 CYS 16 19.016 6.519 -12.781 133 H GLN 17 H GLN 17 20.512 8.263 -14.892 134 HA GLN 17 HA GLN 17 19.046 10.377 -13.707 135 HB2 GLN 17 HB2 GLN 17 21.634 10.359 -15.262 136 HB3 GLN 17 HB3 GLN 17 20.986 11.788 -14.467 137 HG2 GLN 17 HG2 GLN 17 21.347 9.311 -12.866 138 HG3 GLN 17 HG3 GLN 17 22.769 10.258 -13.299 139 HE21 GLN 17 HE21 GLN 17 22.826 10.397 -10.894 140 HE22 GLN 17 HE22 GLN 17 21.980 11.708 -10.152 141 H LEU 18 H LEU 18 19.140 9.151 -16.876 142 HA LEU 18 HA LEU 18 18.549 11.574 -18.273 143 HB2 LEU 18 HB2 LEU 18 18.698 8.697 -18.911 144 HB3 LEU 18 HB3 LEU 18 17.630 9.661 -19.930 145 HG LEU 18 HG LEU 18 20.406 10.639 -19.500 146 HD11 LEU 18 HD11 LEU 18 20.587 9.080 -21.773 147 HD12 LEU 18 HD12 LEU 18 19.765 8.038 -20.612 148 HD13 LEU 18 HD13 LEU 18 21.331 8.743 -20.210 149 HD21 LEU 18 HD21 LEU 18 18.487 11.732 -20.851 150 HD22 LEU 18 HD22 LEU 18 18.870 10.511 -22.066 151 HD23 LEU 18 HD23 LEU 18 20.103 11.665 -21.555 152 H ARG 19 H ARG 19 16.833 12.408 -16.942 153 HA ARG 19 HA ARG 19 14.407 11.108 -16.455 154 HB2 ARG 19 HB2 ARG 19 15.426 13.847 -16.319 155 HB3 ARG 19 HB3 ARG 19 13.709 13.766 -16.693 156 HG2 ARG 19 HG2 ARG 19 13.821 12.014 -14.658 157 HG3 ARG 19 HG3 ARG 19 15.145 13.093 -14.213 158 HD2 ARG 19 HD2 ARG 19 13.759 14.895 -13.918 159 HD3 ARG 19 HD3 ARG 19 12.560 14.296 -15.064 160 HE ARG 19 HE ARG 19 12.509 12.530 -12.961 161 HH11 ARG 19 HH11 ARG 19 12.022 15.951 -13.382 162 HH12 ARG 19 HH12 ARG 19 10.897 16.085 -12.070 163 HH21 ARG 19 HH21 ARG 19 11.030 12.693 -11.232 164 HH22 ARG 19 HH22 ARG 19 10.335 14.231 -10.847 165 H ILE 20 H ILE 20 15.692 12.387 -19.354 166 HA ILE 20 HA ILE 20 13.161 12.818 -20.662 167 HB ILE 20 HB ILE 20 15.824 12.524 -22.035 168 HG12 ILE 20 HG12 ILE 20 16.024 14.133 -20.157 169 HG13 ILE 20 HG13 ILE 20 16.186 14.908 -21.730 170 HG21 ILE 20 HG21 ILE 20 14.628 12.986 -23.845 171 HG22 ILE 20 HG22 ILE 20 13.169 13.157 -22.871 172 HG23 ILE 20 HG23 ILE 20 14.213 14.551 -23.147 173 HD11 ILE 20 HD11 ILE 20 13.465 14.858 -20.627 174 HD12 ILE 20 HD12 ILE 20 14.636 15.833 -19.738 175 HD13 ILE 20 HD13 ILE 20 14.341 16.150 -21.448 176 H ALA 21 H ALA 21 15.825 10.488 -21.126 177 HA ALA 21 HA ALA 21 13.872 8.643 -22.338 178 HB1 ALA 21 HB1 ALA 21 16.832 8.408 -22.728 179 HB2 ALA 21 HB2 ALA 21 15.522 7.797 -23.739 180 HB3 ALA 21 HB3 ALA 21 15.875 9.524 -23.702 181 H ASN 22 H ASN 22 13.473 8.274 -19.913 182 HA ASN 22 HA ASN 22 15.408 6.822 -18.416 183 HB2 ASN 22 HB2 ASN 22 13.184 8.119 -17.706 184 HB3 ASN 22 HB3 ASN 22 12.509 6.497 -17.819 185 HD21 ASN 22 HD21 ASN 22 12.145 6.327 -15.632 186 HD22 ASN 22 HD22 ASN 22 13.423 6.153 -14.482 187 H GLN 23 H GLN 23 16.105 5.145 -19.791 188 HA GLN 23 HA GLN 23 14.263 3.213 -20.836 189 HB2 GLN 23 HB2 GLN 23 17.037 3.841 -21.144 190 HB3 GLN 23 HB3 GLN 23 16.886 2.133 -20.752 191 HG2 GLN 23 HG2 GLN 23 15.160 3.328 -22.872 192 HG3 GLN 23 HG3 GLN 23 16.837 2.913 -23.226 193 HE21 GLN 23 HE21 GLN 23 13.847 1.821 -23.578 194 HE22 GLN 23 HE22 GLN 23 14.107 0.115 -23.493 195 H CYS 24 H CYS 24 15.315 3.800 -17.775 196 HA CYS 24 HA CYS 24 15.910 1.211 -16.805 197 HB2 CYS 24 HB2 CYS 24 16.573 3.043 -15.453 198 HB3 CYS 24 HB3 CYS 24 14.955 3.738 -15.467 199 H ASN 25 H ASN 25 12.948 3.145 -16.318 200 HA ASN 25 HA ASN 25 11.382 1.122 -15.248 201 HB2 ASN 25 HB2 ASN 25 9.489 2.505 -15.698 202 HB3 ASN 25 HB3 ASN 25 10.834 3.588 -15.353 203 HD21 ASN 25 HD21 ASN 25 11.426 5.048 -16.835 204 HD22 ASN 25 HD22 ASN 25 10.734 5.186 -18.412 205 H TYR 26 H TYR 26 11.982 1.961 -18.618 206 HA TYR 26 HA TYR 26 10.061 0.159 -19.701 207 HB2 TYR 26 HB2 TYR 26 11.546 2.218 -20.718 208 HB3 TYR 26 HB3 TYR 26 12.373 0.821 -21.396 209 HD1 TYR 26 HD1 TYR 26 8.886 2.088 -20.919 210 HD2 TYR 26 HD2 TYR 26 11.634 0.029 -23.432 211 HE1 TYR 26 HE1 TYR 26 7.158 1.919 -22.661 212 HE2 TYR 26 HE2 TYR 26 9.914 -0.145 -25.181 213 HH TYR 26 HH TYR 26 6.819 1.478 -24.883 214 H ASP 27 H ASP 27 13.491 -0.049 -18.942 215 HA ASP 27 HA ASP 27 13.952 -2.550 -20.197 216 HB2 ASP 27 HB2 ASP 27 15.857 -1.211 -19.730 217 HB3 ASP 27 HB3 ASP 27 15.413 -1.039 -18.034 218 H CYS 28 H CYS 28 13.084 -1.618 -16.896 219 HA CYS 28 HA CYS 28 13.302 -4.087 -15.649 220 HB2 CYS 28 HB2 CYS 28 11.541 -1.702 -15.172 221 HB3 CYS 28 HB3 CYS 28 11.354 -3.155 -14.195 222 H LYS 29 H LYS 29 10.317 -2.650 -16.975 223 HA LYS 29 HA LYS 29 8.745 -4.959 -16.700 224 HB2 LYS 29 HB2 LYS 29 8.395 -2.771 -18.755 225 HB3 LYS 29 HB3 LYS 29 7.153 -3.862 -18.154 226 HG2 LYS 29 HG2 LYS 29 7.016 -2.789 -16.106 227 HG3 LYS 29 HG3 LYS 29 8.611 -2.050 -16.275 228 HD2 LYS 29 HD2 LYS 29 7.138 -0.277 -16.639 229 HD3 LYS 29 HD3 LYS 29 7.586 -0.788 -18.268 230 HE2 LYS 29 HE2 LYS 29 5.421 -1.006 -18.721 231 HE3 LYS 29 HE3 LYS 29 5.372 -2.349 -17.580 232 HZ1 LYS 29 HZ1 LYS 29 4.377 -1.098 -16.012 233 HZ2 LYS 29 HZ2 LYS 29 3.868 -0.181 -17.339 234 HZ3 LYS 29 HZ3 LYS 29 5.205 0.317 -16.431 235 H LEU 30 H LEU 30 10.972 -3.942 -19.183 236 HA LEU 30 HA LEU 30 10.170 -5.524 -21.317 237 HB2 LEU 30 HB2 LEU 30 12.405 -3.950 -20.637 238 HB3 LEU 30 HB3 LEU 30 13.029 -5.522 -21.132 239 HG LEU 30 HG LEU 30 11.125 -4.795 -23.067 240 HD11 LEU 30 HD11 LEU 30 12.367 -2.636 -23.808 241 HD12 LEU 30 HD12 LEU 30 12.753 -2.488 -22.094 242 HD13 LEU 30 HD13 LEU 30 11.070 -2.534 -22.618 243 HD21 LEU 30 HD21 LEU 30 14.140 -4.710 -23.112 244 HD22 LEU 30 HD22 LEU 30 13.095 -4.711 -24.532 245 HD23 LEU 30 HD23 LEU 30 13.127 -6.112 -23.459 246 H ASP 31 H ASP 31 12.520 -6.333 -18.763 247 HA ASP 31 HA ASP 31 12.220 -9.167 -19.493 248 HB2 ASP 31 HB2 ASP 31 14.491 -7.534 -18.621 249 HB3 ASP 31 HB3 ASP 31 14.343 -9.053 -17.741 250 H LYS 32 H LYS 32 13.054 -7.406 -16.508 251 HA LYS 32 HA LYS 32 12.178 -9.267 -14.691 252 HB2 LYS 32 HB2 LYS 32 11.916 -6.274 -14.358 253 HB3 LYS 32 HB3 LYS 32 12.031 -7.468 -13.071 254 HG2 LYS 32 HG2 LYS 32 14.295 -7.973 -14.503 255 HG3 LYS 32 HG3 LYS 32 14.130 -6.225 -14.678 256 HD2 LYS 32 HD2 LYS 32 13.885 -6.067 -12.203 257 HD3 LYS 32 HD3 LYS 32 14.234 -7.795 -12.104 258 HE2 LYS 32 HE2 LYS 32 16.419 -7.450 -13.066 259 HE3 LYS 32 HE3 LYS 32 16.069 -5.744 -13.339 260 HZ1 LYS 32 HZ1 LYS 32 17.307 -6.760 -11.159 261 HZ2 LYS 32 HZ2 LYS 32 15.721 -6.561 -10.606 262 HZ3 LYS 32 HZ3 LYS 32 16.567 -5.240 -11.239 263 H HIS 33 H HIS 33 10.284 -6.982 -16.540 264 HA HIS 33 HA HIS 33 8.043 -6.805 -16.903 265 HB2 HIS 33 HB2 HIS 33 8.413 -9.453 -16.727 266 HB3 HIS 33 HB3 HIS 33 7.382 -9.231 -15.316 267 HD1 HIS 33 HD1 HIS 33 6.199 -10.875 -17.482 268 HD2 HIS 33 HD2 HIS 33 5.881 -6.733 -17.446 269 HE1 HIS 33 HE1 HIS 33 4.200 -10.342 -18.911 270 H ALA 34 H ALA 34 9.292 -5.648 -14.562 271 HA ALA 34 HA ALA 34 7.801 -5.931 -12.221 272 HB1 ALA 34 HB1 ALA 34 8.522 -3.321 -12.119 273 HB2 ALA 34 HB2 ALA 34 9.590 -4.667 -11.720 274 HB3 ALA 34 HB3 ALA 34 9.653 -3.937 -13.325 275 H ARG 35 H ARG 35 6.679 -3.671 -11.410 276 HA ARG 35 HA ARG 35 4.196 -3.624 -12.846 277 HB2 ARG 35 HB2 ARG 35 5.003 -1.820 -10.566 278 HB3 ARG 35 HB3 ARG 35 3.375 -2.258 -11.066 279 HG2 ARG 35 HG2 ARG 35 3.683 -4.510 -10.306 280 HG3 ARG 35 HG3 ARG 35 5.388 -4.207 -9.967 281 HD2 ARG 35 HD2 ARG 35 4.192 -4.130 -7.897 282 HD3 ARG 35 HD3 ARG 35 4.680 -2.487 -8.309 283 HE ARG 35 HE ARG 35 2.085 -2.979 -9.289 284 HH11 ARG 35 HH11 ARG 35 3.802 -2.480 -6.301 285 HH12 ARG 35 HH12 ARG 35 2.435 -1.808 -5.476 286 HH21 ARG 35 HH21 ARG 35 0.278 -2.094 -8.214 287 HH22 ARG 35 HH22 ARG 35 0.431 -1.589 -6.565 288 H SER 36 H SER 36 6.550 -1.088 -11.973 289 HA SER 36 HA SER 36 5.840 0.307 -14.461 290 HB2 SER 36 HB2 SER 36 6.466 2.335 -12.647 291 HB3 SER 36 HB3 SER 36 4.862 1.936 -13.262 292 HG SER 36 HG SER 36 5.437 1.916 -10.822 293 H GLY 37 H GLY 37 8.131 0.261 -11.730 294 HA2 GLY 37 HA2 GLY 37 10.454 0.078 -11.845 295 HA3 GLY 37 HA3 GLY 37 10.354 0.221 -13.593 296 H GLU 38 H GLU 38 11.807 1.630 -11.197 297 HA GLU 38 HA GLU 38 11.878 4.207 -12.495 298 HB2 GLU 38 HB2 GLU 38 10.711 3.836 -9.754 299 HB3 GLU 38 HB3 GLU 38 11.530 5.333 -10.178 300 HG2 GLU 38 HG2 GLU 38 9.963 5.479 -12.154 301 HG3 GLU 38 HG3 GLU 38 9.054 4.166 -11.408 302 H CYS 39 H CYS 39 13.523 5.655 -11.449 303 HA CYS 39 HA CYS 39 15.723 4.014 -10.386 304 HB2 CYS 39 HB2 CYS 39 15.787 6.581 -11.984 305 HB3 CYS 39 HB3 CYS 39 17.211 5.814 -11.287 306 H PHE 40 H PHE 40 16.774 4.607 -8.547 307 HA PHE 40 HA PHE 40 16.227 7.178 -7.312 308 HB2 PHE 40 HB2 PHE 40 15.521 4.572 -5.946 309 HB3 PHE 40 HB3 PHE 40 15.515 6.155 -5.174 310 HD1 PHE 40 HD2 PHE 40 13.908 7.901 -6.006 311 HD2 PHE 40 HD1 PHE 40 13.676 3.813 -7.172 312 HE1 PHE 40 HE2 PHE 40 11.577 8.239 -6.716 313 HE2 PHE 40 HE1 PHE 40 11.345 4.146 -7.885 314 HZ PHE 40 HZ PHE 40 10.292 6.360 -7.656 315 H TYR 41 H TYR 41 17.614 7.614 -5.471 316 HA TYR 41 HA TYR 41 20.252 6.573 -5.881 317 HB2 TYR 41 HB2 TYR 41 19.082 8.585 -3.967 318 HB3 TYR 41 HB3 TYR 41 20.767 8.086 -3.873 319 HD1 TYR 41 HD1 TYR 41 18.272 9.887 -5.875 320 HD2 TYR 41 HD2 TYR 41 22.368 8.789 -5.537 321 HE1 TYR 41 HE1 TYR 41 18.853 11.552 -7.590 322 HE2 TYR 41 HE2 TYR 41 22.961 10.451 -7.251 323 HH TYR 41 HH TYR 41 20.820 12.858 -8.296 324 H ASP 42 H ASP 42 21.575 5.558 -4.291 325 HA ASP 42 HA ASP 42 20.051 3.754 -2.564 326 HB2 ASP 42 HB2 ASP 42 22.126 3.275 -4.300 327 HB3 ASP 42 HB3 ASP 42 22.950 3.337 -2.744 328 H GLU 43 H GLU 43 21.911 3.044 -0.699 329 HA GLU 43 HA GLU 43 21.683 5.140 1.192 330 HB2 GLU 43 HB2 GLU 43 23.478 2.721 1.392 331 HB3 GLU 43 HB3 GLU 43 22.832 3.680 2.716 332 HG2 GLU 43 HG2 GLU 43 20.562 2.947 2.100 333 HG3 GLU 43 HG3 GLU 43 21.259 1.927 0.843 334 H LYS 44 H LYS 44 24.102 4.290 -1.112 335 HA LYS 44 HA LYS 44 26.053 6.083 0.153 336 HB2 LYS 44 HB2 LYS 44 26.245 3.788 -1.726 337 HB3 LYS 44 HB3 LYS 44 27.427 5.077 -1.916 338 HG2 LYS 44 HG2 LYS 44 27.250 4.454 0.845 339 HG3 LYS 44 HG3 LYS 44 27.414 2.943 -0.053 340 HD2 LYS 44 HD2 LYS 44 29.316 4.126 -1.308 341 HD3 LYS 44 HD3 LYS 44 29.261 5.311 -0.001 342 HE2 LYS 44 HE2 LYS 44 29.342 3.102 1.476 343 HE3 LYS 44 HE3 LYS 44 30.132 2.472 0.031 344 HZ1 LYS 44 HZ1 LYS 44 31.985 3.398 0.778 345 HZ2 LYS 44 HZ2 LYS 44 31.174 4.191 2.032 346 HZ3 LYS 44 HZ3 LYS 44 31.297 4.921 0.511 347 H ARG 45 H ARG 45 23.586 6.835 -1.417 348 HA ARG 45 HA ARG 45 22.969 8.476 -2.865 349 HB2 ARG 45 HB2 ARG 45 25.891 9.242 -2.910 350 HB3 ARG 45 HB3 ARG 45 24.523 10.261 -3.337 351 HG2 ARG 45 HG2 ARG 45 24.287 9.205 -0.651 352 HG3 ARG 45 HG3 ARG 45 25.778 10.121 -0.880 353 HD2 ARG 45 HD2 ARG 45 24.263 11.890 -1.980 354 HD3 ARG 45 HD3 ARG 45 22.938 11.027 -1.201 355 HE ARG 45 HE ARG 45 24.927 11.574 0.705 356 HH11 ARG 45 HH11 ARG 45 22.535 13.208 -1.225 357 HH12 ARG 45 HH12 ARG 45 22.314 14.501 -0.093 358 HH21 ARG 45 HH21 ARG 45 24.646 13.270 2.204 359 HH22 ARG 45 HH22 ARG 45 23.516 14.535 1.857 360 H ASN 46 H ASN 46 23.559 5.910 -3.895 361 HA ASN 46 HA ASN 46 24.683 6.552 -6.541 362 HB2 ASN 46 HB2 ASN 46 24.320 3.767 -5.445 363 HB3 ASN 46 HB3 ASN 46 25.347 4.292 -6.776 364 HD21 ASN 46 HD21 ASN 46 25.971 2.795 -4.327 365 HD22 ASN 46 HD22 ASN 46 27.226 3.688 -3.543 366 H LEU 47 H LEU 47 23.171 6.903 -8.018 367 HA LEU 47 HA LEU 47 20.465 6.094 -7.716 368 HB2 LEU 47 HB2 LEU 47 21.945 7.826 -9.389 369 HB3 LEU 47 HB3 LEU 47 21.075 6.709 -10.438 370 HG LEU 47 HG LEU 47 19.778 8.402 -8.305 371 HD11 LEU 47 HD11 LEU 47 19.945 10.115 -9.702 372 HD12 LEU 47 HD12 LEU 47 18.966 9.214 -10.860 373 HD13 LEU 47 HD13 LEU 47 20.725 9.106 -10.921 374 HD21 LEU 47 HD21 LEU 47 18.839 6.125 -9.456 375 HD22 LEU 47 HD22 LEU 47 18.220 7.355 -10.559 376 HD23 LEU 47 HD23 LEU 47 17.827 7.432 -8.841 377 H GLN 48 H GLN 48 19.660 4.139 -8.048 378 HA GLN 48 HA GLN 48 20.877 2.450 -10.131 379 HB2 GLN 48 HB2 GLN 48 19.786 1.559 -7.456 380 HB3 GLN 48 HB3 GLN 48 20.343 0.482 -8.730 381 HG2 GLN 48 HG2 GLN 48 22.575 1.691 -8.551 382 HG3 GLN 48 HG3 GLN 48 21.952 2.370 -7.048 383 HE21 GLN 48 HE21 GLN 48 21.459 0.948 -5.322 384 HE22 GLN 48 HE22 GLN 48 22.208 -0.605 -5.212 385 H CYS 49 H CYS 49 19.448 0.932 -11.156 386 HA CYS 49 HA CYS 49 16.822 2.043 -11.579 387 HB2 CYS 49 HB2 CYS 49 18.194 1.162 -13.447 388 HB3 CYS 49 HB3 CYS 49 18.071 -0.451 -12.752 389 H ILE 50 H ILE 50 15.641 1.710 -9.715 390 HA ILE 50 HA ILE 50 15.381 -0.984 -8.649 391 HB ILE 50 HB ILE 50 14.269 1.671 -7.757 392 HG12 ILE 50 HG12 ILE 50 15.720 0.206 -5.770 393 HG13 ILE 50 HG13 ILE 50 16.677 0.256 -7.246 394 HG21 ILE 50 HG21 ILE 50 13.412 0.401 -5.771 395 HG22 ILE 50 HG22 ILE 50 12.549 0.099 -7.279 396 HG23 ILE 50 HG23 ILE 50 13.711 -1.083 -6.676 397 HD11 ILE 50 HD11 ILE 50 16.177 2.321 -5.310 398 HD12 ILE 50 HD12 ILE 50 17.351 2.268 -6.626 399 HD13 ILE 50 HD13 ILE 50 15.712 2.844 -6.929 400 H CYS 51 H CYS 51 13.903 -2.352 -9.372 401 HA CYS 51 HA CYS 51 11.655 -1.349 -10.940 402 HB2 CYS 51 HB2 CYS 51 12.418 -4.231 -10.464 403 HB3 CYS 51 HB3 CYS 51 11.387 -3.588 -11.738 404 H ASP 52 H ASP 52 9.540 -2.572 -10.642 405 HA ASP 52 HA ASP 52 8.959 -2.732 -7.760 406 HB2 ASP 52 HB2 ASP 52 7.592 -1.464 -10.001 407 HB3 ASP 52 HB3 ASP 52 6.522 -2.510 -9.071 408 H TYR 53 H TYR 53 8.571 -4.686 -6.981 409 HA TYR 53 HA TYR 53 7.405 -6.713 -8.774 410 HB2 TYR 53 HB2 TYR 53 9.791 -6.826 -7.041 411 HB3 TYR 53 HB3 TYR 53 8.725 -8.223 -6.938 412 HD1 TYR 53 HD2 TYR 53 8.365 -9.659 -8.888 413 HD2 TYR 53 HD1 TYR 53 11.049 -6.361 -9.047 414 HE1 TYR 53 HE2 TYR 53 9.353 -10.570 -10.948 415 HE2 TYR 53 HE1 TYR 53 12.043 -7.262 -11.108 416 HH TYR 53 HH TYR 53 11.928 -10.180 -12.083 417 H CYS 54 H CYS 54 5.346 -6.898 -8.153 418 HA CYS 54 HA CYS 54 4.593 -8.119 -5.776 419 HB2 CYS 54 HB2 CYS 54 5.084 -5.339 -5.424 420 HB3 CYS 54 HB3 CYS 54 3.345 -5.590 -5.315 421 H GLU 55 H GLU 55 3.725 -5.949 -8.384 422 HA GLU 55 HA GLU 55 1.940 -5.891 -9.794 423 HB2 GLU 55 HB2 GLU 55 2.288 -8.607 -9.142 424 HB3 GLU 55 HB3 GLU 55 0.562 -8.301 -9.017 425 HG2 GLU 55 HG2 GLU 55 1.123 -7.066 -11.355 426 HG3 GLU 55 HG3 GLU 55 2.304 -8.374 -11.375 427 H TYR 56 H TYR 56 -0.324 -5.442 -9.848 428 HA TYR 56 HA TYR 56 -1.296 -4.349 -7.392 429 HB2 TYR 56 HB2 TYR 56 -3.114 -3.487 -8.679 430 HB3 TYR 56 HB3 TYR 56 -1.674 -3.362 -9.683 431 HD1 TYR 56 HD2 TYR 56 -1.341 -4.949 -11.565 432 HD2 TYR 56 HD1 TYR 56 -4.957 -4.855 -9.324 433 HE1 TYR 56 HE2 TYR 56 -2.477 -6.193 -13.357 434 HE2 TYR 56 HE1 TYR 56 -6.103 -6.101 -11.109 435 HH TYR 56 HH TYR 56 -5.688 -7.465 -12.960 Start of MODEL 10 1 H1 GLN 1 H GLN 1 1.079 -1.013 0.529 2 HA GLN 1 HA GLN 1 2.015 -0.844 -1.565 3 HB2 GLN 1 HB2 GLN 1 0.964 1.904 -0.935 4 HB3 GLN 1 HB3 GLN 1 1.628 1.513 -2.516 5 HG2 GLN 1 HG2 GLN 1 -0.757 1.309 -2.586 6 HG3 GLN 1 HG3 GLN 1 -0.034 -0.292 -2.734 7 HE21 GLN 1 HE21 GLN 1 -0.997 1.879 -0.090 8 HE22 GLN 1 HE22 GLN 1 -1.861 0.681 0.805 9 H ASP 2 H ASP 2 3.726 -0.009 -2.907 10 HA ASP 2 HA ASP 2 5.892 0.581 -3.277 11 HB2 ASP 2 HB2 ASP 2 4.718 2.822 -2.485 12 HB3 ASP 2 HB3 ASP 2 5.797 2.629 -1.106 13 H LYS 3 H LYS 3 5.252 -1.413 -1.217 14 HA LYS 3 HA LYS 3 7.523 -1.088 0.618 15 HB2 LYS 3 HB2 LYS 3 6.501 -2.899 1.924 16 HB3 LYS 3 HB3 LYS 3 5.382 -1.563 1.690 17 HG2 LYS 3 HG2 LYS 3 4.094 -2.762 0.147 18 HG3 LYS 3 HG3 LYS 3 5.359 -3.968 -0.100 19 HD2 LYS 3 HD2 LYS 3 4.948 -4.991 1.960 20 HD3 LYS 3 HD3 LYS 3 4.086 -3.585 2.590 21 HE2 LYS 3 HE2 LYS 3 3.062 -5.183 0.259 22 HE3 LYS 3 HE3 LYS 3 2.690 -5.615 1.927 23 HZ1 LYS 3 HZ1 LYS 3 0.994 -4.201 0.815 24 HZ2 LYS 3 HZ2 LYS 3 2.127 -2.946 0.761 25 HZ3 LYS 3 HZ3 LYS 3 1.600 -3.546 2.253 26 H CYS 4 H CYS 4 6.782 -2.484 -2.292 27 HA CYS 4 HA CYS 4 8.879 -4.524 -1.941 28 HB2 CYS 4 HB2 CYS 4 7.610 -5.743 -3.839 29 HB3 CYS 4 HB3 CYS 4 6.962 -5.836 -2.204 30 H LYS 5 H LYS 5 10.467 -4.574 -3.442 31 HA LYS 5 HA LYS 5 10.221 -3.461 -6.050 32 HB2 LYS 5 HB2 LYS 5 11.593 -1.534 -5.868 33 HB3 LYS 5 HB3 LYS 5 10.400 -1.406 -4.582 34 HG2 LYS 5 HG2 LYS 5 12.678 -2.781 -3.572 35 HG3 LYS 5 HG3 LYS 5 13.212 -1.307 -4.383 36 HD2 LYS 5 HD2 LYS 5 11.047 -0.415 -2.988 37 HD3 LYS 5 HD3 LYS 5 11.684 -1.651 -1.902 38 HE2 LYS 5 HE2 LYS 5 13.257 0.638 -3.080 39 HE3 LYS 5 HE3 LYS 5 12.632 0.564 -1.433 40 HZ1 LYS 5 HZ1 LYS 5 15.060 -0.402 -2.373 41 HZ2 LYS 5 HZ2 LYS 5 14.131 -1.759 -1.978 42 HZ3 LYS 5 HZ3 LYS 5 14.418 -0.563 -0.816 43 H LYS 6 H LYS 6 12.479 -3.307 -7.103 44 HA LYS 6 HA LYS 6 14.404 -5.152 -5.914 45 HB2 LYS 6 HB2 LYS 6 13.035 -5.577 -8.568 46 HB3 LYS 6 HB3 LYS 6 14.563 -6.345 -8.158 47 HG2 LYS 6 HG2 LYS 6 13.368 -7.263 -6.108 48 HG3 LYS 6 HG3 LYS 6 11.873 -6.753 -6.897 49 HD2 LYS 6 HD2 LYS 6 11.981 -8.873 -7.714 50 HD3 LYS 6 HD3 LYS 6 12.973 -8.072 -8.935 51 HE2 LYS 6 HE2 LYS 6 14.965 -8.849 -7.990 52 HE3 LYS 6 HE3 LYS 6 14.194 -9.225 -6.449 53 HZ1 LYS 6 HZ1 LYS 6 14.020 -11.295 -7.184 54 HZ2 LYS 6 HZ2 LYS 6 14.511 -10.870 -8.745 55 HZ3 LYS 6 HZ3 LYS 6 12.880 -10.758 -8.312 56 H VAL 7 H VAL 7 16.234 -4.031 -5.920 57 HA VAL 7 HA VAL 7 16.745 -1.895 -7.748 58 HB VAL 7 HB VAL 7 18.596 -3.253 -5.783 59 HG11 VAL 7 HG11 VAL 7 20.095 -2.200 -7.158 60 HG12 VAL 7 HG12 VAL 7 18.948 -0.944 -7.631 61 HG13 VAL 7 HG13 VAL 7 19.716 -0.887 -6.043 62 HG21 VAL 7 HG21 VAL 7 17.638 -0.530 -5.263 63 HG22 VAL 7 HG22 VAL 7 16.386 -1.772 -5.214 64 HG23 VAL 7 HG23 VAL 7 17.802 -1.904 -4.170 65 H TYR 8 H TYR 8 18.196 -1.788 -9.436 66 HA TYR 8 HA TYR 8 19.096 -4.388 -10.480 67 HB2 TYR 8 HB2 TYR 8 17.463 -2.713 -11.744 68 HB3 TYR 8 HB3 TYR 8 18.984 -1.966 -12.218 69 HD1 TYR 8 HD1 TYR 8 20.416 -4.808 -12.140 70 HD2 TYR 8 HD2 TYR 8 16.976 -3.240 -14.092 71 HE1 TYR 8 HE1 TYR 8 20.679 -6.476 -13.928 72 HE2 TYR 8 HE2 TYR 8 17.229 -4.904 -15.886 73 HH TYR 8 HH TYR 8 19.117 -6.278 -16.869 74 H GLU 9 H GLU 9 20.951 -4.125 -8.983 75 HA GLU 9 HA GLU 9 22.839 -2.105 -9.111 76 HB2 GLU 9 HB2 GLU 9 23.422 -5.043 -8.715 77 HB3 GLU 9 HB3 GLU 9 24.422 -3.696 -8.191 78 HG2 GLU 9 HG2 GLU 9 22.504 -2.970 -6.743 79 HG3 GLU 9 HG3 GLU 9 21.726 -4.501 -7.141 80 H ASN 10 H ASN 10 22.158 -4.627 -11.379 81 HA ASN 10 HA ASN 10 24.651 -4.198 -12.828 82 HB2 ASN 10 HB2 ASN 10 22.423 -6.191 -13.001 83 HB3 ASN 10 HB3 ASN 10 23.461 -5.939 -14.401 84 HD21 ASN 10 HD21 ASN 10 23.150 -7.360 -11.321 85 HD22 ASN 10 HD22 ASN 10 24.722 -8.073 -11.235 86 H TYR 11 H TYR 11 23.387 -1.876 -12.848 87 HA TYR 11 HA TYR 11 22.613 -1.577 -15.634 88 HB2 TYR 11 HB2 TYR 11 20.628 -1.744 -13.707 89 HB3 TYR 11 HB3 TYR 11 20.839 -0.011 -13.927 90 HD1 TYR 11 HD2 TYR 11 20.443 -3.128 -15.948 91 HD2 TYR 11 HD1 TYR 11 19.651 1.038 -15.610 92 HE1 TYR 11 HE2 TYR 11 19.076 -3.228 -17.991 93 HE2 TYR 11 HE1 TYR 11 18.282 0.950 -17.651 94 HH TYR 11 HH TYR 11 18.269 -0.711 -19.789 95 HA PRO 12 HA PRO 12 25.098 2.034 -15.210 96 HB2 PRO 12 HB2 PRO 12 24.257 3.381 -17.412 97 HB3 PRO 12 HB3 PRO 12 25.313 1.967 -17.497 98 HG2 PRO 12 HG2 PRO 12 22.354 2.149 -17.911 99 HG3 PRO 12 HG3 PRO 12 23.561 1.246 -18.845 100 HD2 PRO 12 HD2 PRO 12 21.974 0.070 -16.993 101 HD3 PRO 12 HD3 PRO 12 23.627 -0.484 -17.324 102 H VAL 13 H VAL 13 24.847 3.733 -13.912 103 HA VAL 13 HA VAL 13 22.318 4.682 -13.085 104 HB VAL 13 HB VAL 13 23.474 6.284 -11.757 105 HG11 VAL 13 HG11 VAL 13 23.793 3.748 -11.342 106 HG12 VAL 13 HG12 VAL 13 25.458 4.044 -11.847 107 HG13 VAL 13 HG13 VAL 13 24.794 4.895 -10.451 108 HG21 VAL 13 HG21 VAL 13 25.452 6.131 -13.908 109 HG22 VAL 13 HG22 VAL 13 25.050 7.467 -12.830 110 HG23 VAL 13 HG23 VAL 13 26.151 6.200 -12.290 111 H SER 14 H SER 14 24.274 5.446 -15.775 112 HA SER 14 HA SER 14 23.592 8.143 -16.189 113 HB2 SER 14 HB2 SER 14 25.023 6.111 -17.590 114 HB3 SER 14 HB3 SER 14 23.880 6.848 -18.713 115 HG SER 14 HG SER 14 25.016 8.618 -18.688 116 H LYS 15 H LYS 15 22.161 5.173 -17.535 117 HA LYS 15 HA LYS 15 20.126 6.392 -19.009 118 HB2 LYS 15 HB2 LYS 15 20.734 3.694 -18.034 119 HB3 LYS 15 HB3 LYS 15 19.013 4.004 -18.222 120 HG2 LYS 15 HG2 LYS 15 19.604 4.855 -20.557 121 HG3 LYS 15 HG3 LYS 15 21.165 4.070 -20.305 122 HD2 LYS 15 HD2 LYS 15 18.993 2.313 -19.580 123 HD3 LYS 15 HD3 LYS 15 18.812 2.891 -21.238 124 HE2 LYS 15 HE2 LYS 15 21.438 2.301 -21.227 125 HE3 LYS 15 HE3 LYS 15 20.858 1.125 -20.048 126 HZ1 LYS 15 HZ1 LYS 15 20.890 0.578 -22.589 127 HZ2 LYS 15 HZ2 LYS 15 19.410 1.396 -22.582 128 HZ3 LYS 15 HZ3 LYS 15 19.626 0.031 -21.606 129 H CYS 16 H CYS 16 20.361 5.648 -15.607 130 HA CYS 16 HA CYS 16 17.597 5.975 -15.003 131 HB2 CYS 16 HB2 CYS 16 20.108 5.631 -13.486 132 HB3 CYS 16 HB3 CYS 16 18.834 6.506 -12.643 133 H GLN 17 H GLN 17 20.381 8.129 -15.066 134 HA GLN 17 HA GLN 17 18.978 10.347 -13.912 135 HB2 GLN 17 HB2 GLN 17 21.620 10.124 -15.352 136 HB3 GLN 17 HB3 GLN 17 21.000 11.641 -14.714 137 HG2 GLN 17 HG2 GLN 17 21.198 9.290 -12.901 138 HG3 GLN 17 HG3 GLN 17 22.663 10.170 -13.332 139 HE21 GLN 17 HE21 GLN 17 22.661 10.546 -10.977 140 HE22 GLN 17 HE22 GLN 17 21.789 11.909 -10.371 141 H LEU 18 H LEU 18 19.059 8.934 -16.984 142 HA LEU 18 HA LEU 18 18.691 11.264 -18.579 143 HB2 LEU 18 HB2 LEU 18 18.532 8.344 -18.958 144 HB3 LEU 18 HB3 LEU 18 17.558 9.315 -20.060 145 HG LEU 18 HG LEU 18 20.446 9.978 -19.705 146 HD11 LEU 18 HD11 LEU 18 21.139 8.006 -20.441 147 HD12 LEU 18 HD12 LEU 18 20.249 8.293 -21.936 148 HD13 LEU 18 HD13 LEU 18 19.479 7.432 -20.603 149 HD21 LEU 18 HD21 LEU 18 18.668 11.279 -21.064 150 HD22 LEU 18 HD22 LEU 18 18.850 9.974 -22.237 151 HD23 LEU 18 HD23 LEU 18 20.243 10.962 -21.793 152 H ARG 19 H ARG 19 17.081 12.390 -17.329 153 HA ARG 19 HA ARG 19 14.517 11.385 -16.786 154 HB2 ARG 19 HB2 ARG 19 15.828 14.015 -16.795 155 HB3 ARG 19 HB3 ARG 19 14.098 14.071 -17.103 156 HG2 ARG 19 HG2 ARG 19 15.063 12.433 -14.822 157 HG3 ARG 19 HG3 ARG 19 15.077 14.191 -14.663 158 HD2 ARG 19 HD2 ARG 19 12.680 14.204 -15.335 159 HD3 ARG 19 HD3 ARG 19 12.707 12.441 -15.302 160 HE ARG 19 HE ARG 19 12.596 12.520 -13.018 161 HH11 ARG 19 HH11 ARG 19 13.516 15.654 -14.221 162 HH12 ARG 19 HH12 ARG 19 13.388 16.429 -12.677 163 HH21 ARG 19 HH21 ARG 19 12.424 13.528 -10.980 164 HH22 ARG 19 HH22 ARG 19 12.768 15.218 -10.833 165 H ILE 20 H ILE 20 15.949 12.568 -19.697 166 HA ILE 20 HA ILE 20 13.486 13.148 -21.049 167 HB ILE 20 HB ILE 20 16.144 12.600 -22.356 168 HG12 ILE 20 HG12 ILE 20 15.120 15.200 -21.197 169 HG13 ILE 20 HG13 ILE 20 16.472 14.257 -20.581 170 HG21 ILE 20 HG21 ILE 20 14.119 12.741 -23.785 171 HG22 ILE 20 HG22 ILE 20 13.866 14.383 -23.198 172 HG23 ILE 20 HG23 ILE 20 15.312 13.993 -24.128 173 HD11 ILE 20 HD11 ILE 20 16.361 15.537 -23.301 174 HD12 ILE 20 HD12 ILE 20 17.180 16.207 -21.890 175 HD13 ILE 20 HD13 ILE 20 17.732 14.686 -22.590 176 H ALA 21 H ALA 21 15.518 10.355 -20.622 177 HA ALA 21 HA ALA 21 13.517 8.717 -21.966 178 HB1 ALA 21 HB1 ALA 21 15.313 9.353 -23.634 179 HB2 ALA 21 HB2 ALA 21 16.418 8.369 -22.674 180 HB3 ALA 21 HB3 ALA 21 15.008 7.628 -23.432 181 H ASN 22 H ASN 22 13.100 8.101 -19.763 182 HA ASN 22 HA ASN 22 15.138 6.806 -18.212 183 HB2 ASN 22 HB2 ASN 22 12.884 8.023 -17.488 184 HB3 ASN 22 HB3 ASN 22 12.247 6.386 -17.615 185 HD21 ASN 22 HD21 ASN 22 11.865 6.522 -15.343 186 HD22 ASN 22 HD22 ASN 22 13.153 6.240 -14.227 187 H GLN 23 H GLN 23 15.824 5.231 -19.803 188 HA GLN 23 HA GLN 23 14.109 3.219 -20.800 189 HB2 GLN 23 HB2 GLN 23 16.994 3.758 -20.763 190 HB3 GLN 23 HB3 GLN 23 16.588 2.047 -20.778 191 HG2 GLN 23 HG2 GLN 23 16.927 3.282 -23.012 192 HG3 GLN 23 HG3 GLN 23 15.574 2.165 -22.843 193 HE21 GLN 23 HE21 GLN 23 13.599 2.882 -23.276 194 HE22 GLN 23 HE22 GLN 23 13.164 4.535 -23.522 195 H CYS 24 H CYS 24 15.279 3.776 -17.702 196 HA CYS 24 HA CYS 24 15.703 1.146 -16.769 197 HB2 CYS 24 HB2 CYS 24 16.537 2.865 -15.394 198 HB3 CYS 24 HB3 CYS 24 15.010 3.741 -15.413 199 H ASN 25 H ASN 25 12.882 3.279 -16.275 200 HA ASN 25 HA ASN 25 11.209 1.380 -15.127 201 HB2 ASN 25 HB2 ASN 25 10.309 3.644 -16.918 202 HB3 ASN 25 HB3 ASN 25 9.383 2.869 -15.635 203 HD21 ASN 25 HD21 ASN 25 9.373 5.397 -15.335 204 HD22 ASN 25 HD22 ASN 25 10.512 5.968 -14.167 205 H TYR 26 H TYR 26 11.768 2.148 -18.525 206 HA TYR 26 HA TYR 26 9.728 0.440 -19.535 207 HB2 TYR 26 HB2 TYR 26 11.258 2.407 -20.623 208 HB3 TYR 26 HB3 TYR 26 12.052 0.977 -21.274 209 HD1 TYR 26 HD2 TYR 26 10.628 -0.707 -22.545 210 HD2 TYR 26 HD1 TYR 26 9.254 3.196 -21.555 211 HE1 TYR 26 HE2 TYR 26 8.895 -0.883 -24.281 212 HE2 TYR 26 HE1 TYR 26 7.516 3.031 -23.288 213 HH TYR 26 HH TYR 26 7.343 1.559 -25.585 214 H ASP 27 H ASP 27 13.182 0.061 -18.928 215 HA ASP 27 HA ASP 27 13.456 -2.482 -20.136 216 HB2 ASP 27 HB2 ASP 27 15.480 -1.368 -19.789 217 HB3 ASP 27 HB3 ASP 27 15.065 -0.928 -18.135 218 H CYS 28 H CYS 28 12.711 -1.456 -16.837 219 HA CYS 28 HA CYS 28 12.870 -3.868 -15.506 220 HB2 CYS 28 HB2 CYS 28 11.108 -1.463 -15.146 221 HB3 CYS 28 HB3 CYS 28 10.905 -2.875 -14.114 222 H LYS 29 H LYS 29 9.902 -2.482 -16.923 223 HA LYS 29 HA LYS 29 8.358 -4.820 -16.591 224 HB2 LYS 29 HB2 LYS 29 7.921 -2.650 -18.646 225 HB3 LYS 29 HB3 LYS 29 6.713 -3.744 -17.983 226 HG2 LYS 29 HG2 LYS 29 6.586 -2.616 -15.986 227 HG3 LYS 29 HG3 LYS 29 8.208 -1.937 -16.144 228 HD2 LYS 29 HD2 LYS 29 6.763 -0.123 -16.507 229 HD3 LYS 29 HD3 LYS 29 7.274 -0.618 -18.123 230 HE2 LYS 29 HE2 LYS 29 5.167 -0.993 -18.719 231 HE3 LYS 29 HE3 LYS 29 4.938 -2.089 -17.357 232 HZ1 LYS 29 HZ1 LYS 29 4.928 0.666 -16.574 233 HZ2 LYS 29 HZ2 LYS 29 3.804 -0.553 -16.242 234 HZ3 LYS 29 HZ3 LYS 29 3.708 0.312 -17.693 235 H LEU 30 H LEU 30 10.552 -3.771 -19.080 236 HA LEU 30 HA LEU 30 9.740 -5.343 -21.222 237 HB2 LEU 30 HB2 LEU 30 11.565 -3.574 -21.127 238 HB3 LEU 30 HB3 LEU 30 12.618 -4.847 -20.514 239 HG LEU 30 HG LEU 30 11.232 -5.498 -23.022 240 HD11 LEU 30 HD11 LEU 30 11.675 -3.095 -23.344 241 HD12 LEU 30 HD12 LEU 30 12.628 -4.114 -24.421 242 HD13 LEU 30 HD13 LEU 30 13.381 -3.385 -23.002 243 HD21 LEU 30 HD21 LEU 30 13.419 -6.376 -23.593 244 HD22 LEU 30 HD22 LEU 30 12.949 -6.916 -21.982 245 HD23 LEU 30 HD23 LEU 30 14.122 -5.612 -22.168 246 H ASP 31 H ASP 31 12.110 -6.142 -18.684 247 HA ASP 31 HA ASP 31 11.831 -8.976 -19.428 248 HB2 ASP 31 HB2 ASP 31 14.107 -7.329 -18.629 249 HB3 ASP 31 HB3 ASP 31 13.987 -8.822 -17.701 250 H LYS 32 H LYS 32 12.699 -7.208 -16.456 251 HA LYS 32 HA LYS 32 11.877 -9.083 -14.626 252 HB2 LYS 32 HB2 LYS 32 11.520 -6.114 -14.224 253 HB3 LYS 32 HB3 LYS 32 11.822 -7.334 -12.994 254 HG2 LYS 32 HG2 LYS 32 13.992 -7.655 -14.588 255 HG3 LYS 32 HG3 LYS 32 13.692 -5.923 -14.754 256 HD2 LYS 32 HD2 LYS 32 13.611 -5.787 -12.254 257 HD3 LYS 32 HD3 LYS 32 14.135 -7.472 -12.204 258 HE2 LYS 32 HE2 LYS 32 16.209 -6.946 -13.230 259 HE3 LYS 32 HE3 LYS 32 15.666 -5.322 -13.650 260 HZ1 LYS 32 HZ1 LYS 32 16.294 -4.562 -11.676 261 HZ2 LYS 32 HZ2 LYS 32 17.073 -6.040 -11.415 262 HZ3 LYS 32 HZ3 LYS 32 15.498 -5.802 -10.845 263 H HIS 33 H HIS 33 9.925 -6.922 -16.524 264 HA HIS 33 HA HIS 33 7.677 -6.785 -16.853 265 HB2 HIS 33 HB2 HIS 33 8.142 -9.464 -16.257 266 HB3 HIS 33 HB3 HIS 33 6.821 -9.010 -15.184 267 HD1 HIS 33 HD1 HIS 33 5.457 -7.003 -17.217 268 HD2 HIS 33 HD2 HIS 33 6.614 -10.908 -18.041 269 HE1 HIS 33 HE1 HIS 33 4.035 -7.730 -19.160 270 H ALA 34 H ALA 34 8.979 -5.524 -14.567 271 HA ALA 34 HA ALA 34 7.487 -5.678 -12.214 272 HB1 ALA 34 HB1 ALA 34 8.832 -3.217 -13.318 273 HB2 ALA 34 HB2 ALA 34 8.438 -3.547 -11.630 274 HB3 ALA 34 HB3 ALA 34 9.661 -4.513 -12.455 275 H ARG 35 H ARG 35 6.422 -3.343 -11.514 276 HA ARG 35 HA ARG 35 3.947 -3.305 -12.986 277 HB2 ARG 35 HB2 ARG 35 4.685 -1.444 -10.737 278 HB3 ARG 35 HB3 ARG 35 3.085 -1.986 -11.224 279 HG2 ARG 35 HG2 ARG 35 3.563 -4.220 -10.422 280 HG3 ARG 35 HG3 ARG 35 5.208 -3.736 -10.003 281 HD2 ARG 35 HD2 ARG 35 3.769 -3.765 -8.033 282 HD3 ARG 35 HD3 ARG 35 4.331 -2.132 -8.387 283 HE ARG 35 HE ARG 35 1.806 -2.635 -9.588 284 HH11 ARG 35 HH11 ARG 35 3.334 -1.909 -6.545 285 HH12 ARG 35 HH12 ARG 35 1.933 -1.142 -5.875 286 HH21 ARG 35 HH21 ARG 35 -0.046 -1.627 -8.717 287 HH22 ARG 35 HH22 ARG 35 0.010 -0.983 -7.111 288 H SER 36 H SER 36 6.297 -0.782 -12.062 289 HA SER 36 HA SER 36 5.712 0.580 -14.597 290 HB2 SER 36 HB2 SER 36 5.332 1.617 -11.853 291 HB3 SER 36 HB3 SER 36 6.135 2.712 -12.977 292 HG SER 36 HG SER 36 3.562 1.568 -13.155 293 H GLY 37 H GLY 37 7.840 0.559 -11.739 294 HA2 GLY 37 HA2 GLY 37 10.175 0.321 -11.775 295 HA3 GLY 37 HA3 GLY 37 10.157 0.614 -13.507 296 H GLU 38 H GLU 38 11.693 1.795 -11.172 297 HA GLU 38 HA GLU 38 11.633 4.505 -12.137 298 HB2 GLU 38 HB2 GLU 38 10.558 3.783 -9.444 299 HB3 GLU 38 HB3 GLU 38 11.454 5.284 -9.622 300 HG2 GLU 38 HG2 GLU 38 9.850 5.743 -11.588 301 HG3 GLU 38 HG3 GLU 38 8.854 4.485 -10.858 302 H CYS 39 H CYS 39 13.325 5.853 -11.034 303 HA CYS 39 HA CYS 39 15.568 4.144 -10.175 304 HB2 CYS 39 HB2 CYS 39 15.589 6.676 -11.825 305 HB3 CYS 39 HB3 CYS 39 17.040 5.935 -11.156 306 H PHE 40 H PHE 40 16.714 4.716 -8.390 307 HA PHE 40 HA PHE 40 16.262 7.308 -7.146 308 HB2 PHE 40 HB2 PHE 40 15.666 4.701 -5.731 309 HB3 PHE 40 HB3 PHE 40 15.712 6.282 -4.959 310 HD1 PHE 40 HD1 PHE 40 13.999 7.970 -5.494 311 HD2 PHE 40 HD2 PHE 40 13.787 3.995 -6.999 312 HE1 PHE 40 HE1 PHE 40 11.622 8.306 -6.035 313 HE2 PHE 40 HE2 PHE 40 11.411 4.324 -7.543 314 HZ PHE 40 HZ PHE 40 10.325 6.481 -7.062 315 H TYR 41 H TYR 41 17.742 7.711 -5.338 316 HA TYR 41 HA TYR 41 20.365 6.705 -5.946 317 HB2 TYR 41 HB2 TYR 41 19.311 8.712 -3.963 318 HB3 TYR 41 HB3 TYR 41 21.001 8.221 -3.974 319 HD1 TYR 41 HD2 TYR 41 18.373 9.994 -5.831 320 HD2 TYR 41 HD1 TYR 41 22.495 8.946 -5.720 321 HE1 TYR 41 HE2 TYR 41 18.837 11.658 -7.582 322 HE2 TYR 41 HE1 TYR 41 22.971 10.608 -7.469 323 HH TYR 41 HH TYR 41 21.976 12.669 -8.370 324 H ASP 42 H ASP 42 21.796 5.701 -4.443 325 HA ASP 42 HA ASP 42 20.400 3.879 -2.630 326 HB2 ASP 42 HB2 ASP 42 22.294 3.353 -4.487 327 HB3 ASP 42 HB3 ASP 42 23.312 3.576 -3.067 328 H GLU 43 H GLU 43 22.385 3.196 -0.879 329 HA GLU 43 HA GLU 43 22.230 5.291 1.026 330 HB2 GLU 43 HB2 GLU 43 24.068 2.899 1.135 331 HB3 GLU 43 HB3 GLU 43 23.461 3.843 2.488 332 HG2 GLU 43 HG2 GLU 43 21.177 2.959 1.190 333 HG3 GLU 43 HG3 GLU 43 22.280 1.586 1.130 334 H LYS 44 H LYS 44 24.525 4.467 -1.410 335 HA LYS 44 HA LYS 44 26.523 6.281 -0.254 336 HB2 LYS 44 HB2 LYS 44 26.638 3.990 -2.146 337 HB3 LYS 44 HB3 LYS 44 27.799 5.289 -2.387 338 HG2 LYS 44 HG2 LYS 44 27.626 4.475 0.391 339 HG3 LYS 44 HG3 LYS 44 28.068 3.142 -0.678 340 HD2 LYS 44 HD2 LYS 44 30.105 3.989 -1.060 341 HD3 LYS 44 HD3 LYS 44 29.473 5.620 -1.300 342 HE2 LYS 44 HE2 LYS 44 29.283 5.839 1.172 343 HE3 LYS 44 HE3 LYS 44 30.071 4.270 1.330 344 HZ1 LYS 44 HZ1 LYS 44 31.608 5.905 -0.362 345 HZ2 LYS 44 HZ2 LYS 44 32.029 5.253 1.140 346 HZ3 LYS 44 HZ3 LYS 44 31.274 6.765 1.056 347 H ARG 45 H ARG 45 23.968 7.008 -1.684 348 HA ARG 45 HA ARG 45 23.256 8.641 -3.097 349 HB2 ARG 45 HB2 ARG 45 26.164 9.431 -3.315 350 HB3 ARG 45 HB3 ARG 45 24.764 10.438 -3.659 351 HG2 ARG 45 HG2 ARG 45 24.683 9.389 -0.966 352 HG3 ARG 45 HG3 ARG 45 26.165 10.295 -1.277 353 HD2 ARG 45 HD2 ARG 45 24.377 11.952 -2.400 354 HD3 ARG 45 HD3 ARG 45 23.358 11.213 -1.165 355 HE ARG 45 HE ARG 45 25.432 13.119 -0.751 356 HH11 ARG 45 HH11 ARG 45 23.849 10.366 0.676 357 HH12 ARG 45 HH12 ARG 45 24.225 10.829 2.302 358 HH21 ARG 45 HH21 ARG 45 25.933 13.739 1.386 359 HH22 ARG 45 HH22 ARG 45 25.410 12.748 2.705 360 H ASN 46 H ASN 46 23.812 6.075 -4.153 361 HA ASN 46 HA ASN 46 24.768 6.724 -6.863 362 HB2 ASN 46 HB2 ASN 46 24.517 3.938 -5.741 363 HB3 ASN 46 HB3 ASN 46 25.455 4.475 -7.132 364 HD21 ASN 46 HD21 ASN 46 26.242 2.998 -4.713 365 HD22 ASN 46 HD22 ASN 46 27.528 3.913 -4.010 366 H LEU 47 H LEU 47 23.166 7.039 -8.251 367 HA LEU 47 HA LEU 47 20.493 6.214 -7.785 368 HB2 LEU 47 HB2 LEU 47 21.877 7.894 -9.601 369 HB3 LEU 47 HB3 LEU 47 20.914 6.762 -10.548 370 HG LEU 47 HG LEU 47 19.794 8.508 -8.359 371 HD11 LEU 47 HD11 LEU 47 18.863 9.302 -10.895 372 HD12 LEU 47 HD12 LEU 47 20.621 9.214 -10.999 373 HD13 LEU 47 HD13 LEU 47 19.860 10.218 -9.765 374 HD21 LEU 47 HD21 LEU 47 18.075 7.497 -10.503 375 HD22 LEU 47 HD22 LEU 47 17.803 7.560 -8.762 376 HD23 LEU 47 HD23 LEU 47 18.748 6.245 -9.460 377 H GLN 48 H GLN 48 19.629 4.278 -8.083 378 HA GLN 48 HA GLN 48 20.784 2.520 -10.144 379 HB2 GLN 48 HB2 GLN 48 19.711 1.693 -7.441 380 HB3 GLN 48 HB3 GLN 48 20.277 0.595 -8.693 381 HG2 GLN 48 HG2 GLN 48 22.503 1.802 -8.535 382 HG3 GLN 48 HG3 GLN 48 21.876 2.534 -7.059 383 HE21 GLN 48 HE21 GLN 48 21.489 1.231 -5.257 384 HE22 GLN 48 HE22 GLN 48 22.193 -0.339 -5.100 385 H CYS 49 H CYS 49 19.316 0.996 -11.103 386 HA CYS 49 HA CYS 49 16.688 2.130 -11.482 387 HB2 CYS 49 HB2 CYS 49 17.957 1.275 -13.402 388 HB3 CYS 49 HB3 CYS 49 17.960 -0.336 -12.690 389 H ILE 50 H ILE 50 15.424 1.792 -9.713 390 HA ILE 50 HA ILE 50 15.208 -0.912 -8.621 391 HB ILE 50 HB ILE 50 14.132 1.731 -7.644 392 HG12 ILE 50 HG12 ILE 50 15.740 0.266 -5.771 393 HG13 ILE 50 HG13 ILE 50 16.605 0.395 -7.298 394 HG21 ILE 50 HG21 ILE 50 12.488 0.086 -7.100 395 HG22 ILE 50 HG22 ILE 50 13.723 -1.041 -6.541 396 HG23 ILE 50 HG23 ILE 50 13.404 0.437 -5.635 397 HD11 ILE 50 HD11 ILE 50 17.234 2.420 -6.676 398 HD12 ILE 50 HD12 ILE 50 15.553 2.934 -6.826 399 HD13 ILE 50 HD13 ILE 50 16.169 2.375 -5.271 400 H CYS 51 H CYS 51 13.654 -2.233 -9.272 401 HA CYS 51 HA CYS 51 11.368 -1.135 -10.733 402 HB2 CYS 51 HB2 CYS 51 12.131 -4.042 -10.441 403 HB3 CYS 51 HB3 CYS 51 11.044 -3.331 -11.629 404 H ASP 52 H ASP 52 9.246 -2.284 -10.389 405 HA ASP 52 HA ASP 52 8.816 -2.668 -7.501 406 HB2 ASP 52 HB2 ASP 52 6.321 -2.214 -8.548 407 HB3 ASP 52 HB3 ASP 52 7.347 -0.987 -7.810 408 H TYR 53 H TYR 53 8.349 -4.657 -6.867 409 HA TYR 53 HA TYR 53 7.119 -6.500 -8.811 410 HB2 TYR 53 HB2 TYR 53 9.380 -6.820 -6.945 411 HB3 TYR 53 HB3 TYR 53 8.238 -8.159 -6.963 412 HD1 TYR 53 HD1 TYR 53 10.603 -6.205 -9.006 413 HD2 TYR 53 HD2 TYR 53 8.094 -9.637 -8.838 414 HE1 TYR 53 HE1 TYR 53 11.670 -7.077 -11.043 415 HE2 TYR 53 HE2 TYR 53 9.155 -10.519 -10.874 416 HH TYR 53 HH TYR 53 11.958 -9.647 -12.014 417 H CYS 54 H CYS 54 5.020 -6.640 -8.338 418 HA CYS 54 HA CYS 54 4.161 -7.774 -5.879 419 HB2 CYS 54 HB2 CYS 54 4.104 -4.857 -6.149 420 HB3 CYS 54 HB3 CYS 54 2.541 -5.552 -5.733 421 H GLU 55 H GLU 55 2.552 -5.442 -8.030 422 HA GLU 55 HA GLU 55 0.676 -7.580 -8.785 423 HB2 GLU 55 HB2 GLU 55 0.227 -4.598 -8.961 424 HB3 GLU 55 HB3 GLU 55 -0.969 -5.865 -9.200 425 HG2 GLU 55 HG2 GLU 55 -0.857 -6.479 -6.879 426 HG3 GLU 55 HG3 GLU 55 0.459 -5.338 -6.604 427 H TYR 56 H TYR 56 -0.496 -6.479 -10.985 428 HA TYR 56 HA TYR 56 1.547 -5.712 -12.891 429 HB2 TYR 56 HB2 TYR 56 0.889 -7.630 -14.426 430 HB3 TYR 56 HB3 TYR 56 1.886 -8.055 -13.040 431 HD1 TYR 56 HD2 TYR 56 0.936 -9.311 -11.163 432 HD2 TYR 56 HD1 TYR 56 -1.390 -8.399 -14.607 433 HE1 TYR 56 HE2 TYR 56 -0.723 -10.994 -10.480 434 HE2 TYR 56 HE1 TYR 56 -3.056 -10.079 -13.933 435 HH TYR 56 HH TYR 56 -3.601 -11.158 -11.256 Start of MODEL 11 1 H1 GLN 1 H GLN 1 0.397 -2.358 -1.684 2 HA GLN 1 HA GLN 1 1.107 0.412 -1.010 3 HB2 GLN 1 HB2 GLN 1 1.260 -2.159 0.419 4 HB3 GLN 1 HB3 GLN 1 2.673 -1.129 0.605 5 HG2 GLN 1 HG2 GLN 1 0.938 -0.849 2.366 6 HG3 GLN 1 HG3 GLN 1 1.374 0.634 1.518 7 HE21 GLN 1 HE21 GLN 1 -0.337 1.867 1.275 8 HE22 GLN 1 HE22 GLN 1 -1.924 1.340 0.840 9 H ASP 2 H ASP 2 3.382 0.986 -0.939 10 HA ASP 2 HA ASP 2 4.878 -0.350 -3.085 11 HB2 ASP 2 HB2 ASP 2 5.291 2.409 -1.913 12 HB3 ASP 2 HB3 ASP 2 6.124 1.735 -3.311 13 H LYS 3 H LYS 3 4.983 -1.750 -0.798 14 HA LYS 3 HA LYS 3 7.468 -0.994 0.562 15 HB2 LYS 3 HB2 LYS 3 6.852 -2.491 2.307 16 HB3 LYS 3 HB3 LYS 3 5.406 -1.579 1.891 17 HG2 LYS 3 HG2 LYS 3 4.625 -3.476 0.535 18 HG3 LYS 3 HG3 LYS 3 6.053 -4.390 1.024 19 HD2 LYS 3 HD2 LYS 3 5.310 -4.651 3.186 20 HD3 LYS 3 HD3 LYS 3 4.310 -3.198 3.131 21 HE2 LYS 3 HE2 LYS 3 2.956 -4.544 1.353 22 HE3 LYS 3 HE3 LYS 3 3.739 -5.942 2.090 23 HZ1 LYS 3 HZ1 LYS 3 1.470 -5.148 2.982 24 HZ2 LYS 3 HZ2 LYS 3 2.369 -3.959 3.781 25 HZ3 LYS 3 HZ3 LYS 3 2.672 -5.595 4.087 26 H CYS 4 H CYS 4 6.767 -2.537 -2.138 27 HA CYS 4 HA CYS 4 8.875 -4.557 -1.749 28 HB2 CYS 4 HB2 CYS 4 7.619 -5.809 -3.639 29 HB3 CYS 4 HB3 CYS 4 6.978 -5.895 -2.002 30 H LYS 5 H LYS 5 10.470 -4.615 -3.242 31 HA LYS 5 HA LYS 5 10.223 -3.541 -5.867 32 HB2 LYS 5 HB2 LYS 5 11.597 -1.607 -5.705 33 HB3 LYS 5 HB3 LYS 5 10.378 -1.461 -4.445 34 HG2 LYS 5 HG2 LYS 5 12.643 -2.806 -3.366 35 HG3 LYS 5 HG3 LYS 5 13.185 -1.343 -4.192 36 HD2 LYS 5 HD2 LYS 5 10.986 -0.443 -2.854 37 HD3 LYS 5 HD3 LYS 5 11.615 -1.654 -1.734 38 HE2 LYS 5 HE2 LYS 5 13.386 0.431 -2.970 39 HE3 LYS 5 HE3 LYS 5 12.465 0.752 -1.502 40 HZ1 LYS 5 HZ1 LYS 5 14.660 -1.176 -1.916 41 HZ2 LYS 5 HZ2 LYS 5 13.561 -1.380 -0.647 42 HZ3 LYS 5 HZ3 LYS 5 14.508 0.019 -0.729 43 H LYS 6 H LYS 6 12.475 -3.395 -6.923 44 HA LYS 6 HA LYS 6 14.420 -5.195 -5.700 45 HB2 LYS 6 HB2 LYS 6 13.042 -5.698 -8.335 46 HB3 LYS 6 HB3 LYS 6 14.581 -6.439 -7.916 47 HG2 LYS 6 HG2 LYS 6 13.447 -7.367 -5.868 48 HG3 LYS 6 HG3 LYS 6 11.922 -6.820 -6.569 49 HD2 LYS 6 HD2 LYS 6 11.886 -8.861 -7.513 50 HD3 LYS 6 HD3 LYS 6 13.021 -8.156 -8.666 51 HE2 LYS 6 HE2 LYS 6 13.957 -9.447 -6.123 52 HE3 LYS 6 HE3 LYS 6 13.637 -10.396 -7.574 53 HZ1 LYS 6 HZ1 LYS 6 15.238 -9.012 -8.766 54 HZ2 LYS 6 HZ2 LYS 6 15.957 -9.796 -7.452 55 HZ3 LYS 6 HZ3 LYS 6 15.570 -8.152 -7.347 56 H VAL 7 H VAL 7 16.234 -4.048 -5.737 57 HA VAL 7 HA VAL 7 16.715 -1.977 -7.657 58 HB VAL 7 HB VAL 7 17.529 -1.971 -5.259 59 HG11 VAL 7 HG11 VAL 7 19.658 -3.787 -6.383 60 HG12 VAL 7 HG12 VAL 7 19.619 -3.095 -4.760 61 HG13 VAL 7 HG13 VAL 7 18.399 -4.272 -5.248 62 HG21 VAL 7 HG21 VAL 7 19.016 -0.394 -5.841 63 HG22 VAL 7 HG22 VAL 7 19.963 -1.509 -6.825 64 HG23 VAL 7 HG23 VAL 7 18.514 -0.758 -7.492 65 H TYR 8 H TYR 8 18.355 -1.889 -9.223 66 HA TYR 8 HA TYR 8 19.224 -4.531 -10.188 67 HB2 TYR 8 HB2 TYR 8 17.758 -2.696 -11.540 68 HB3 TYR 8 HB3 TYR 8 19.381 -2.212 -12.017 69 HD1 TYR 8 HD2 TYR 8 20.425 -5.182 -11.771 70 HD2 TYR 8 HD1 TYR 8 17.185 -3.337 -13.821 71 HE1 TYR 8 HE2 TYR 8 20.470 -6.980 -13.449 72 HE2 TYR 8 HE1 TYR 8 17.220 -5.130 -15.503 73 HH TYR 8 HH TYR 8 18.812 -8.020 -15.076 74 H GLU 9 H GLU 9 21.113 -4.632 -8.942 75 HA GLU 9 HA GLU 9 23.040 -2.607 -8.741 76 HB2 GLU 9 HB2 GLU 9 23.617 -5.568 -8.691 77 HB3 GLU 9 HB3 GLU 9 24.522 -4.286 -7.899 78 HG2 GLU 9 HG2 GLU 9 22.465 -3.835 -6.524 79 HG3 GLU 9 HG3 GLU 9 21.792 -5.321 -7.193 80 H ASN 10 H ASN 10 22.197 -4.615 -11.361 81 HA ASN 10 HA ASN 10 24.736 -4.021 -12.727 82 HB2 ASN 10 HB2 ASN 10 22.675 -6.075 -13.544 83 HB3 ASN 10 HB3 ASN 10 24.311 -5.894 -14.171 84 HD21 ASN 10 HD21 ASN 10 22.339 -7.130 -11.640 85 HD22 ASN 10 HD22 ASN 10 23.583 -7.975 -10.789 86 H TYR 11 H TYR 11 23.463 -1.826 -12.769 87 HA TYR 11 HA TYR 11 22.419 -1.584 -15.469 88 HB2 TYR 11 HB2 TYR 11 20.550 -1.917 -13.586 89 HB3 TYR 11 HB3 TYR 11 20.803 -0.185 -13.399 90 HD1 TYR 11 HD1 TYR 11 19.866 -2.812 -15.839 91 HD2 TYR 11 HD2 TYR 11 19.897 1.349 -14.950 92 HE1 TYR 11 HE1 TYR 11 18.388 -2.396 -17.761 93 HE2 TYR 11 HE2 TYR 11 18.418 1.776 -16.868 94 HH TYR 11 HH TYR 11 17.946 -0.276 -19.317 95 HA PRO 12 HA PRO 12 24.872 2.074 -15.266 96 HB2 PRO 12 HB2 PRO 12 23.912 3.312 -17.483 97 HB3 PRO 12 HB3 PRO 12 25.002 1.922 -17.555 98 HG2 PRO 12 HG2 PRO 12 22.025 2.013 -17.861 99 HG3 PRO 12 HG3 PRO 12 23.220 1.104 -18.805 100 HD2 PRO 12 HD2 PRO 12 21.736 -0.037 -16.849 101 HD3 PRO 12 HD3 PRO 12 23.390 -0.562 -17.222 102 H VAL 13 H VAL 13 24.577 3.724 -13.918 103 HA VAL 13 HA VAL 13 22.025 4.689 -13.158 104 HB VAL 13 HB VAL 13 23.159 6.260 -11.768 105 HG11 VAL 13 HG11 VAL 13 23.387 3.726 -11.344 106 HG12 VAL 13 HG12 VAL 13 25.074 3.956 -11.808 107 HG13 VAL 13 HG13 VAL 13 24.410 4.831 -10.427 108 HG21 VAL 13 HG21 VAL 13 25.655 6.558 -11.976 109 HG22 VAL 13 HG22 VAL 13 25.538 5.760 -13.544 110 HG23 VAL 13 HG23 VAL 13 24.691 7.281 -13.263 111 H SER 14 H SER 14 24.110 5.468 -15.750 112 HA SER 14 HA SER 14 23.459 8.180 -16.146 113 HB2 SER 14 HB2 SER 14 24.974 6.177 -17.497 114 HB3 SER 14 HB3 SER 14 23.894 6.929 -18.672 115 HG SER 14 HG SER 14 25.795 8.115 -18.552 116 H LYS 15 H LYS 15 22.138 5.249 -17.683 117 HA LYS 15 HA LYS 15 20.171 6.515 -19.210 118 HB2 LYS 15 HB2 LYS 15 20.785 3.784 -18.360 119 HB3 LYS 15 HB3 LYS 15 19.063 4.066 -18.585 120 HG2 LYS 15 HG2 LYS 15 19.730 5.073 -20.850 121 HG3 LYS 15 HG3 LYS 15 21.277 4.264 -20.590 122 HD2 LYS 15 HD2 LYS 15 19.088 2.474 -20.036 123 HD3 LYS 15 HD3 LYS 15 18.936 3.159 -21.656 124 HE2 LYS 15 HE2 LYS 15 21.521 2.571 -21.735 125 HE3 LYS 15 HE3 LYS 15 21.035 1.387 -20.522 126 HZ1 LYS 15 HZ1 LYS 15 20.601 0.150 -22.330 127 HZ2 LYS 15 HZ2 LYS 15 20.440 1.483 -23.359 128 HZ3 LYS 15 HZ3 LYS 15 19.150 1.021 -22.366 129 H CYS 16 H CYS 16 20.325 5.885 -15.832 130 HA CYS 16 HA CYS 16 17.511 5.977 -15.322 131 HB2 CYS 16 HB2 CYS 16 19.993 5.916 -13.690 132 HB3 CYS 16 HB3 CYS 16 18.557 6.588 -12.926 133 H GLN 17 H GLN 17 20.171 8.298 -14.857 134 HA GLN 17 HA GLN 17 18.546 10.419 -13.960 135 HB2 GLN 17 HB2 GLN 17 21.274 10.400 -15.252 136 HB3 GLN 17 HB3 GLN 17 20.517 11.853 -14.614 137 HG2 GLN 17 HG2 GLN 17 21.378 11.384 -12.637 138 HG3 GLN 17 HG3 GLN 17 20.363 9.943 -12.571 139 HE21 GLN 17 HE21 GLN 17 21.844 8.706 -11.479 140 HE22 GLN 17 HE22 GLN 17 23.317 8.151 -12.192 141 H LEU 18 H LEU 18 18.920 9.045 -17.032 142 HA LEU 18 HA LEU 18 18.527 11.330 -18.660 143 HB2 LEU 18 HB2 LEU 18 18.484 8.409 -19.001 144 HB3 LEU 18 HB3 LEU 18 17.487 9.312 -20.140 145 HG LEU 18 HG LEU 18 20.384 9.982 -19.715 146 HD11 LEU 18 HD11 LEU 18 20.110 8.525 -22.097 147 HD12 LEU 18 HD12 LEU 18 19.331 7.567 -20.839 148 HD13 LEU 18 HD13 LEU 18 21.010 8.073 -20.649 149 HD21 LEU 18 HD21 LEU 18 20.212 11.157 -21.709 150 HD22 LEU 18 HD22 LEU 18 18.665 11.480 -20.926 151 HD23 LEU 18 HD23 LEU 18 18.768 10.282 -22.218 152 H ARG 19 H ARG 19 16.840 12.501 -17.658 153 HA ARG 19 HA ARG 19 14.275 11.443 -17.142 154 HB2 ARG 19 HB2 ARG 19 15.587 13.973 -16.928 155 HB3 ARG 19 HB3 ARG 19 14.050 14.209 -17.749 156 HG2 ARG 19 HG2 ARG 19 13.094 12.770 -15.808 157 HG3 ARG 19 HG3 ARG 19 14.588 13.226 -14.985 158 HD2 ARG 19 HD2 ARG 19 14.011 15.623 -15.565 159 HD3 ARG 19 HD3 ARG 19 12.420 15.027 -16.038 160 HE ARG 19 HE ARG 19 11.878 14.825 -13.825 161 HH11 ARG 19 HH11 ARG 19 15.332 15.142 -14.126 162 HH12 ARG 19 HH12 ARG 19 15.599 15.285 -12.420 163 HH21 ARG 19 HH21 ARG 19 12.217 15.013 -11.577 164 HH22 ARG 19 HH22 ARG 19 13.826 15.211 -10.971 165 H ILE 20 H ILE 20 15.815 12.539 -20.032 166 HA ILE 20 HA ILE 20 13.404 13.009 -21.515 167 HB ILE 20 HB ILE 20 16.131 12.475 -22.679 168 HG12 ILE 20 HG12 ILE 20 14.997 15.093 -21.669 169 HG13 ILE 20 HG13 ILE 20 16.341 14.206 -20.957 170 HG21 ILE 20 HG21 ILE 20 13.879 14.197 -23.698 171 HG22 ILE 20 HG22 ILE 20 15.356 13.747 -24.549 172 HG23 ILE 20 HG23 ILE 20 14.141 12.523 -24.185 173 HD11 ILE 20 HD11 ILE 20 17.740 15.300 -22.265 174 HD12 ILE 20 HD12 ILE 20 16.939 14.633 -23.688 175 HD13 ILE 20 HD13 ILE 20 16.389 16.161 -23.002 176 H ALA 21 H ALA 21 15.480 10.285 -20.889 177 HA ALA 21 HA ALA 21 13.581 8.549 -22.261 178 HB1 ALA 21 HB1 ALA 21 15.168 7.438 -23.604 179 HB2 ALA 21 HB2 ALA 21 15.452 9.160 -23.858 180 HB3 ALA 21 HB3 ALA 21 16.522 8.236 -22.803 181 H ASN 22 H ASN 22 13.066 8.019 -20.053 182 HA ASN 22 HA ASN 22 15.054 6.813 -18.366 183 HB2 ASN 22 HB2 ASN 22 12.719 8.034 -17.824 184 HB3 ASN 22 HB3 ASN 22 12.174 6.359 -17.812 185 HD21 ASN 22 HD21 ASN 22 11.847 6.066 -15.688 186 HD22 ASN 22 HD22 ASN 22 13.077 6.196 -14.481 187 H GLN 23 H GLN 23 15.823 5.152 -19.793 188 HA GLN 23 HA GLN 23 14.116 3.084 -20.748 189 HB2 GLN 23 HB2 GLN 23 17.004 3.656 -20.730 190 HB3 GLN 23 HB3 GLN 23 16.596 1.945 -20.716 191 HG2 GLN 23 HG2 GLN 23 16.934 3.152 -22.970 192 HG3 GLN 23 HG3 GLN 23 15.591 2.027 -22.784 193 HE21 GLN 23 HE21 GLN 23 13.629 2.717 -23.285 194 HE22 GLN 23 HE22 GLN 23 13.173 4.365 -23.534 195 H CYS 24 H CYS 24 15.145 3.828 -17.678 196 HA CYS 24 HA CYS 24 15.715 1.277 -16.602 197 HB2 CYS 24 HB2 CYS 24 15.508 3.949 -15.644 198 HB3 CYS 24 HB3 CYS 24 14.494 2.935 -14.622 199 H ASN 25 H ASN 25 12.754 3.247 -16.284 200 HA ASN 25 HA ASN 25 11.176 1.261 -15.122 201 HB2 ASN 25 HB2 ASN 25 9.303 2.656 -15.579 202 HB3 ASN 25 HB3 ASN 25 10.662 3.740 -15.295 203 HD21 ASN 25 HD21 ASN 25 8.596 2.319 -17.731 204 HD22 ASN 25 HD22 ASN 25 8.902 3.500 -18.955 205 H TYR 26 H TYR 26 11.797 2.017 -18.505 206 HA TYR 26 HA TYR 26 9.855 0.216 -19.555 207 HB2 TYR 26 HB2 TYR 26 11.413 2.226 -20.605 208 HB3 TYR 26 HB3 TYR 26 12.154 0.781 -21.283 209 HD1 TYR 26 HD2 TYR 26 8.912 2.562 -20.942 210 HD2 TYR 26 HD1 TYR 26 11.169 -0.328 -23.102 211 HE1 TYR 26 HE2 TYR 26 7.141 2.460 -22.646 212 HE2 TYR 26 HE1 TYR 26 9.405 -0.436 -24.812 213 HH TYR 26 HH TYR 26 7.324 1.635 -25.442 214 H ASP 27 H ASP 27 13.240 -0.038 -18.682 215 HA ASP 27 HA ASP 27 13.701 -2.560 -19.916 216 HB2 ASP 27 HB2 ASP 27 15.595 -1.180 -19.417 217 HB3 ASP 27 HB3 ASP 27 15.149 -1.083 -17.715 218 H CYS 28 H CYS 28 12.828 -1.562 -16.631 219 HA CYS 28 HA CYS 28 12.992 -3.979 -15.315 220 HB2 CYS 28 HB2 CYS 28 11.174 -1.611 -14.987 221 HB3 CYS 28 HB3 CYS 28 10.971 -3.034 -13.970 222 H LYS 29 H LYS 29 10.037 -2.642 -16.805 223 HA LYS 29 HA LYS 29 8.519 -4.996 -16.523 224 HB2 LYS 29 HB2 LYS 29 8.134 -2.850 -18.613 225 HB3 LYS 29 HB3 LYS 29 6.915 -3.954 -17.989 226 HG2 LYS 29 HG2 LYS 29 6.709 -2.818 -15.998 227 HG3 LYS 29 HG3 LYS 29 8.317 -2.100 -16.119 228 HD2 LYS 29 HD2 LYS 29 6.877 -0.316 -16.558 229 HD3 LYS 29 HD3 LYS 29 7.380 -0.853 -18.163 230 HE2 LYS 29 HE2 LYS 29 5.240 -1.097 -18.704 231 HE3 LYS 29 HE3 LYS 29 5.111 -2.372 -17.493 232 HZ1 LYS 29 HZ1 LYS 29 4.530 0.514 -17.158 233 HZ2 LYS 29 HZ2 LYS 29 4.692 -0.542 -15.847 234 HZ3 LYS 29 HZ3 LYS 29 3.464 -0.788 -16.984 235 H LEU 30 H LEU 30 10.772 -3.927 -18.958 236 HA LEU 30 HA LEU 30 10.072 -5.519 -21.112 237 HB2 LEU 30 HB2 LEU 30 12.245 -3.906 -20.372 238 HB3 LEU 30 HB3 LEU 30 12.930 -5.474 -20.795 239 HG LEU 30 HG LEU 30 11.098 -4.818 -22.836 240 HD11 LEU 30 HD11 LEU 30 12.266 -2.683 -23.610 241 HD12 LEU 30 HD12 LEU 30 12.769 -2.496 -21.931 242 HD13 LEU 30 HD13 LEU 30 11.054 -2.533 -22.338 243 HD21 LEU 30 HD21 LEU 30 14.112 -4.725 -22.759 244 HD22 LEU 30 HD22 LEU 30 13.122 -4.786 -24.217 245 HD23 LEU 30 HD23 LEU 30 13.121 -6.145 -23.092 246 H ASP 31 H ASP 31 12.345 -6.312 -18.484 247 HA ASP 31 HA ASP 31 12.073 -9.150 -19.218 248 HB2 ASP 31 HB2 ASP 31 14.335 -7.510 -18.364 249 HB3 ASP 31 HB3 ASP 31 14.179 -8.995 -17.430 250 H LYS 32 H LYS 32 12.860 -7.362 -16.236 251 HA LYS 32 HA LYS 32 11.980 -9.218 -14.415 252 HB2 LYS 32 HB2 LYS 32 11.624 -6.241 -14.058 253 HB3 LYS 32 HB3 LYS 32 11.867 -7.448 -12.801 254 HG2 LYS 32 HG2 LYS 32 14.094 -7.805 -14.312 255 HG3 LYS 32 HG3 LYS 32 13.815 -6.072 -14.502 256 HD2 LYS 32 HD2 LYS 32 13.634 -5.924 -12.003 257 HD3 LYS 32 HD3 LYS 32 14.161 -7.607 -11.930 258 HE2 LYS 32 HE2 LYS 32 16.267 -7.075 -12.890 259 HE3 LYS 32 HE3 LYS 32 15.735 -5.451 -13.321 260 HZ1 LYS 32 HZ1 LYS 32 15.426 -5.840 -10.547 261 HZ2 LYS 32 HZ2 LYS 32 16.399 -4.719 -11.356 262 HZ3 LYS 32 HZ3 LYS 32 17.006 -6.254 -10.988 263 H HIS 33 H HIS 33 10.088 -7.025 -16.353 264 HA HIS 33 HA HIS 33 7.851 -6.856 -16.731 265 HB2 HIS 33 HB2 HIS 33 8.296 -9.548 -16.311 266 HB3 HIS 33 HB3 HIS 33 7.003 -9.184 -15.173 267 HD1 HIS 33 HD1 HIS 33 7.295 -10.505 -18.348 268 HD2 HIS 33 HD2 HIS 33 4.993 -7.405 -16.815 269 HE1 HIS 33 HE1 HIS 33 5.384 -10.225 -19.959 270 H ALA 34 H ALA 34 9.039 -5.637 -14.403 271 HA ALA 34 HA ALA 34 7.502 -5.920 -12.081 272 HB1 ALA 34 HB1 ALA 34 8.334 -3.197 -12.409 273 HB2 ALA 34 HB2 ALA 34 8.959 -4.432 -11.316 274 HB3 ALA 34 HB3 ALA 34 9.614 -4.286 -12.947 275 H ARG 35 H ARG 35 6.465 -3.510 -11.383 276 HA ARG 35 HA ARG 35 3.984 -3.501 -12.858 277 HB2 ARG 35 HB2 ARG 35 4.705 -1.644 -10.600 278 HB3 ARG 35 HB3 ARG 35 3.107 -2.180 -11.101 279 HG2 ARG 35 HG2 ARG 35 3.570 -4.416 -10.300 280 HG3 ARG 35 HG3 ARG 35 5.216 -3.944 -9.874 281 HD2 ARG 35 HD2 ARG 35 3.818 -3.954 -7.897 282 HD3 ARG 35 HD3 ARG 35 4.313 -2.305 -8.279 283 HE ARG 35 HE ARG 35 1.772 -2.996 -9.404 284 HH11 ARG 35 HH11 ARG 35 3.394 -1.890 -6.529 285 HH12 ARG 35 HH12 ARG 35 1.993 -1.101 -5.885 286 HH21 ARG 35 HH21 ARG 35 -0.080 -1.961 -8.566 287 HH22 ARG 35 HH22 ARG 35 0.017 -1.143 -7.044 288 H SER 36 H SER 36 6.342 -0.987 -11.934 289 HA SER 36 HA SER 36 5.715 0.403 -14.448 290 HB2 SER 36 HB2 SER 36 5.422 2.474 -13.420 291 HB3 SER 36 HB3 SER 36 4.636 1.384 -12.278 292 HG SER 36 HG SER 36 5.966 2.637 -11.067 293 H GLY 37 H GLY 37 7.952 0.268 -11.679 294 HA2 GLY 37 HA2 GLY 37 10.270 0.064 -11.742 295 HA3 GLY 37 HA3 GLY 37 10.209 0.208 -13.492 296 H GLU 38 H GLU 38 11.662 1.584 -11.090 297 HA GLU 38 HA GLU 38 11.779 4.168 -12.374 298 HB2 GLU 38 HB2 GLU 38 10.645 3.811 -9.612 299 HB3 GLU 38 HB3 GLU 38 11.439 5.307 -10.082 300 HG2 GLU 38 HG2 GLU 38 9.829 5.425 -12.011 301 HG3 GLU 38 HG3 GLU 38 8.957 4.092 -11.257 302 H CYS 39 H CYS 39 13.455 5.576 -11.333 303 HA CYS 39 HA CYS 39 15.606 3.898 -10.221 304 HB2 CYS 39 HB2 CYS 39 15.753 6.361 -11.968 305 HB3 CYS 39 HB3 CYS 39 17.153 5.620 -11.200 306 H PHE 40 H PHE 40 16.691 4.555 -8.420 307 HA PHE 40 HA PHE 40 16.189 7.196 -7.309 308 HB2 PHE 40 HB2 PHE 40 15.502 4.655 -5.817 309 HB3 PHE 40 HB3 PHE 40 15.527 6.267 -5.108 310 HD1 PHE 40 HD1 PHE 40 13.885 7.970 -5.876 311 HD2 PHE 40 HD2 PHE 40 13.653 3.889 -7.063 312 HE1 PHE 40 HE1 PHE 40 11.541 8.301 -6.545 313 HE2 PHE 40 HE2 PHE 40 11.308 4.214 -7.735 314 HZ PHE 40 HZ PHE 40 10.249 6.423 -7.476 315 H TYR 41 H TYR 41 17.642 7.758 -5.586 316 HA TYR 41 HA TYR 41 20.259 6.680 -5.977 317 HB2 TYR 41 HB2 TYR 41 19.155 8.763 -4.094 318 HB3 TYR 41 HB3 TYR 41 20.852 8.297 -4.103 319 HD1 TYR 41 HD1 TYR 41 22.250 8.763 -6.098 320 HD2 TYR 41 HD2 TYR 41 18.252 10.184 -5.786 321 HE1 TYR 41 HE1 TYR 41 22.686 10.369 -7.909 322 HE2 TYR 41 HE2 TYR 41 18.676 11.793 -7.597 323 HH TYR 41 HH TYR 41 20.555 12.925 -8.650 324 H ASP 42 H ASP 42 21.591 5.649 -4.451 325 HA ASP 42 HA ASP 42 20.108 4.005 -2.538 326 HB2 ASP 42 HB2 ASP 42 21.930 3.251 -4.366 327 HB3 ASP 42 HB3 ASP 42 23.003 3.542 -2.999 328 H GLU 43 H GLU 43 22.090 3.313 -0.771 329 HA GLU 43 HA GLU 43 21.992 5.398 1.098 330 HB2 GLU 43 HB2 GLU 43 23.946 3.093 1.055 331 HB3 GLU 43 HB3 GLU 43 23.479 4.045 2.457 332 HG2 GLU 43 HG2 GLU 43 21.124 3.227 2.075 333 HG3 GLU 43 HG3 GLU 43 21.803 2.096 0.906 334 H LYS 44 H LYS 44 24.457 4.468 -1.229 335 HA LYS 44 HA LYS 44 26.268 6.539 -0.258 336 HB2 LYS 44 HB2 LYS 44 26.501 4.170 -2.023 337 HB3 LYS 44 HB3 LYS 44 27.532 5.538 -2.420 338 HG2 LYS 44 HG2 LYS 44 27.564 4.904 0.415 339 HG3 LYS 44 HG3 LYS 44 28.086 3.555 -0.596 340 HD2 LYS 44 HD2 LYS 44 29.587 5.249 -1.779 341 HD3 LYS 44 HD3 LYS 44 29.244 6.324 -0.421 342 HE2 LYS 44 HE2 LYS 44 30.371 4.990 1.089 343 HE3 LYS 44 HE3 LYS 44 30.180 3.538 0.107 344 HZ1 LYS 44 HZ1 LYS 44 31.820 4.341 -1.419 345 HZ2 LYS 44 HZ2 LYS 44 32.471 4.411 0.141 346 HZ3 LYS 44 HZ3 LYS 44 31.930 5.825 -0.614 347 H ARG 45 H ARG 45 23.648 7.060 -1.646 348 HA ARG 45 HA ARG 45 22.799 8.575 -3.115 349 HB2 ARG 45 HB2 ARG 45 25.640 9.576 -3.361 350 HB3 ARG 45 HB3 ARG 45 24.172 10.461 -3.753 351 HG2 ARG 45 HG2 ARG 45 24.174 9.500 -1.017 352 HG3 ARG 45 HG3 ARG 45 25.552 10.545 -1.370 353 HD2 ARG 45 HD2 ARG 45 23.898 12.167 -2.380 354 HD3 ARG 45 HD3 ARG 45 22.625 11.168 -1.679 355 HE ARG 45 HE ARG 45 23.086 12.095 0.354 356 HH11 ARG 45 HH11 ARG 45 25.807 12.612 -1.755 357 HH12 ARG 45 HH12 ARG 45 26.653 13.623 -0.631 358 HH21 ARG 45 HH21 ARG 45 24.190 13.425 1.843 359 HH22 ARG 45 HH22 ARG 45 25.732 14.084 1.416 360 H ASN 46 H ASN 46 23.408 6.064 -4.135 361 HA ASN 46 HA ASN 46 24.428 6.659 -6.832 362 HB2 ASN 46 HB2 ASN 46 24.066 3.833 -6.050 363 HB3 ASN 46 HB3 ASN 46 25.392 4.603 -6.918 364 HD21 ASN 46 HD21 ASN 46 27.233 4.885 -5.875 365 HD22 ASN 46 HD22 ASN 46 27.452 4.769 -4.165 366 H LEU 47 H LEU 47 22.827 7.045 -8.211 367 HA LEU 47 HA LEU 47 20.153 6.181 -7.816 368 HB2 LEU 47 HB2 LEU 47 21.552 7.936 -9.552 369 HB3 LEU 47 HB3 LEU 47 20.606 6.833 -10.548 370 HG LEU 47 HG LEU 47 19.439 8.476 -8.307 371 HD11 LEU 47 HD11 LEU 47 20.494 9.644 -10.439 372 HD12 LEU 47 HD12 LEU 47 18.975 10.188 -9.728 373 HD13 LEU 47 HD13 LEU 47 18.959 9.152 -11.155 374 HD21 LEU 47 HD21 LEU 47 17.404 7.669 -8.917 375 HD22 LEU 47 HD22 LEU 47 18.389 6.282 -9.383 376 HD23 LEU 47 HD23 LEU 47 17.872 7.446 -10.603 377 H GLN 48 H GLN 48 19.699 4.064 -7.859 378 HA GLN 48 HA GLN 48 20.779 2.454 -10.074 379 HB2 GLN 48 HB2 GLN 48 20.087 1.829 -7.246 380 HB3 GLN 48 HB3 GLN 48 19.843 0.566 -8.445 381 HG2 GLN 48 HG2 GLN 48 22.003 0.097 -8.487 382 HG3 GLN 48 HG3 GLN 48 22.418 1.782 -8.797 383 HE21 GLN 48 HE21 GLN 48 20.771 0.456 -5.984 384 HE22 GLN 48 HE22 GLN 48 21.994 0.878 -4.840 385 H CYS 49 H CYS 49 19.300 0.661 -10.800 386 HA CYS 49 HA CYS 49 16.701 1.812 -11.392 387 HB2 CYS 49 HB2 CYS 49 18.382 0.500 -12.982 388 HB3 CYS 49 HB3 CYS 49 17.488 -0.890 -12.375 389 H ILE 50 H ILE 50 15.418 1.615 -9.608 390 HA ILE 50 HA ILE 50 15.146 -1.016 -8.355 391 HB ILE 50 HB ILE 50 14.149 1.711 -7.541 392 HG12 ILE 50 HG12 ILE 50 15.671 0.215 -5.589 393 HG13 ILE 50 HG13 ILE 50 16.565 0.348 -7.100 394 HG21 ILE 50 HG21 ILE 50 13.352 0.534 -5.466 395 HG22 ILE 50 HG22 ILE 50 12.413 0.217 -6.924 396 HG23 ILE 50 HG23 ILE 50 13.563 -0.984 -6.338 397 HD11 ILE 50 HD11 ILE 50 15.635 2.893 -6.740 398 HD12 ILE 50 HD12 ILE 50 15.971 2.365 -5.091 399 HD13 ILE 50 HD13 ILE 50 17.243 2.312 -6.311 400 H CYS 51 H CYS 51 13.655 -2.341 -9.131 401 HA CYS 51 HA CYS 51 11.351 -1.260 -10.564 402 HB2 CYS 51 HB2 CYS 51 12.103 -4.166 -10.246 403 HB3 CYS 51 HB3 CYS 51 11.036 -3.454 -11.452 404 H ASP 52 H ASP 52 9.236 -2.443 -10.218 405 HA ASP 52 HA ASP 52 8.800 -2.789 -7.325 406 HB2 ASP 52 HB2 ASP 52 6.305 -2.354 -8.366 407 HB3 ASP 52 HB3 ASP 52 7.333 -1.109 -7.662 408 H TYR 53 H TYR 53 8.299 -4.761 -6.659 409 HA TYR 53 HA TYR 53 7.086 -6.630 -8.588 410 HB2 TYR 53 HB2 TYR 53 9.357 -6.933 -6.728 411 HB3 TYR 53 HB3 TYR 53 8.223 -8.279 -6.749 412 HD1 TYR 53 HD2 TYR 53 10.524 -6.271 -8.830 413 HD2 TYR 53 HD1 TYR 53 8.143 -9.789 -8.584 414 HE1 TYR 53 HE2 TYR 53 11.595 -7.132 -10.870 415 HE2 TYR 53 HE1 TYR 53 9.208 -10.660 -10.623 416 HH TYR 53 HH TYR 53 11.843 -9.941 -11.771 417 H CYS 54 H CYS 54 4.992 -6.777 -8.098 418 HA CYS 54 HA CYS 54 4.158 -7.892 -5.620 419 HB2 CYS 54 HB2 CYS 54 4.078 -4.978 -5.924 420 HB3 CYS 54 HB3 CYS 54 2.525 -5.680 -5.486 421 H GLU 55 H GLU 55 2.541 -5.602 -7.813 422 HA GLU 55 HA GLU 55 0.656 -7.753 -8.511 423 HB2 GLU 55 HB2 GLU 55 0.214 -4.774 -8.755 424 HB3 GLU 55 HB3 GLU 55 -0.985 -6.043 -8.961 425 HG2 GLU 55 HG2 GLU 55 -0.874 -6.602 -6.627 426 HG3 GLU 55 HG3 GLU 55 0.451 -5.465 -6.382 427 H TYR 56 H TYR 56 -0.520 -6.701 -10.733 428 HA TYR 56 HA TYR 56 -0.321 -6.637 -12.997 429 HB2 TYR 56 HB2 TYR 56 1.171 -4.562 -12.051 430 HB3 TYR 56 HB3 TYR 56 2.368 -5.430 -13.005 431 HD1 TYR 56 HD2 TYR 56 0.779 -6.438 -15.248 432 HD2 TYR 56 HD1 TYR 56 0.626 -2.668 -13.282 433 HE1 TYR 56 HE2 TYR 56 -0.107 -5.411 -17.299 434 HE2 TYR 56 HE1 TYR 56 -0.262 -1.631 -15.328 435 HH TYR 56 HH TYR 56 -0.614 -1.930 -17.541 Start of MODEL 12 1 H1 GLN 1 H GLN 1 2.520 2.898 -4.444 2 HA GLN 1 HA GLN 1 2.785 2.516 -1.913 3 HB2 GLN 1 HB2 GLN 1 1.120 0.424 -2.600 4 HB3 GLN 1 HB3 GLN 1 2.683 -0.362 -2.417 5 HG2 GLN 1 HG2 GLN 1 2.339 -0.408 -0.236 6 HG3 GLN 1 HG3 GLN 1 2.449 1.352 -0.225 7 HE21 GLN 1 HE21 GLN 1 0.861 -0.409 1.455 8 HE22 GLN 1 HE22 GLN 1 -0.785 0.067 1.237 9 H ASP 2 H ASP 2 4.885 2.332 -1.382 10 HA ASP 2 HA ASP 2 6.682 1.138 -3.390 11 HB2 ASP 2 HB2 ASP 2 7.533 3.236 -1.409 12 HB3 ASP 2 HB3 ASP 2 8.298 2.783 -2.930 13 H LYS 3 H LYS 3 5.369 -0.198 -1.126 14 HA LYS 3 HA LYS 3 7.356 -0.617 0.899 15 HB2 LYS 3 HB2 LYS 3 5.070 -0.894 1.537 16 HB3 LYS 3 HB3 LYS 3 4.775 -2.028 0.225 17 HG2 LYS 3 HG2 LYS 3 5.531 -3.771 1.402 18 HG3 LYS 3 HG3 LYS 3 6.893 -2.861 2.060 19 HD2 LYS 3 HD2 LYS 3 4.393 -1.906 3.139 20 HD3 LYS 3 HD3 LYS 3 4.574 -3.642 3.406 21 HE2 LYS 3 HE2 LYS 3 6.862 -1.810 3.979 22 HE3 LYS 3 HE3 LYS 3 5.534 -1.929 5.133 23 HZ1 LYS 3 HZ1 LYS 3 6.983 -4.304 4.115 24 HZ2 LYS 3 HZ2 LYS 3 5.942 -4.213 5.444 25 HZ3 LYS 3 HZ3 LYS 3 7.461 -3.472 5.509 26 H CYS 4 H CYS 4 6.654 -1.976 -2.190 27 HA CYS 4 HA CYS 4 8.742 -4.006 -1.745 28 HB2 CYS 4 HB2 CYS 4 7.446 -5.321 -3.563 29 HB3 CYS 4 HB3 CYS 4 6.826 -5.331 -1.915 30 H LYS 5 H LYS 5 10.313 -4.148 -3.258 31 HA LYS 5 HA LYS 5 10.047 -3.199 -5.924 32 HB2 LYS 5 HB2 LYS 5 11.720 -1.350 -5.738 33 HB3 LYS 5 HB3 LYS 5 10.182 -1.007 -4.957 34 HG2 LYS 5 HG2 LYS 5 11.719 -0.245 -3.415 35 HG3 LYS 5 HG3 LYS 5 11.342 -1.861 -2.814 36 HD2 LYS 5 HD2 LYS 5 13.461 -2.510 -3.041 37 HD3 LYS 5 HD3 LYS 5 13.508 -1.955 -4.716 38 HE2 LYS 5 HE2 LYS 5 14.339 0.113 -4.149 39 HE3 LYS 5 HE3 LYS 5 13.659 0.058 -2.523 40 HZ1 LYS 5 HZ1 LYS 5 15.736 -0.429 -1.915 41 HZ2 LYS 5 HZ2 LYS 5 16.214 -0.867 -3.477 42 HZ3 LYS 5 HZ3 LYS 5 15.414 -1.986 -2.492 43 H LYS 6 H LYS 6 12.339 -3.038 -6.963 44 HA LYS 6 HA LYS 6 14.281 -4.787 -5.677 45 HB2 LYS 6 HB2 LYS 6 12.905 -5.429 -8.285 46 HB3 LYS 6 HB3 LYS 6 14.441 -6.147 -7.819 47 HG2 LYS 6 HG2 LYS 6 13.303 -6.975 -5.737 48 HG3 LYS 6 HG3 LYS 6 11.779 -6.450 -6.456 49 HD2 LYS 6 HD2 LYS 6 12.471 -7.877 -8.476 50 HD3 LYS 6 HD3 LYS 6 13.659 -8.599 -7.388 51 HE2 LYS 6 HE2 LYS 6 10.820 -8.414 -6.503 52 HE3 LYS 6 HE3 LYS 6 11.262 -9.648 -7.682 53 HZ1 LYS 6 HZ1 LYS 6 12.422 -9.292 -4.972 54 HZ2 LYS 6 HZ2 LYS 6 12.987 -10.404 -6.114 55 HZ3 LYS 6 HZ3 LYS 6 11.423 -10.557 -5.487 56 H VAL 7 H VAL 7 16.110 -3.676 -5.800 57 HA VAL 7 HA VAL 7 16.566 -1.664 -7.782 58 HB VAL 7 HB VAL 7 17.447 -1.558 -5.436 59 HG11 VAL 7 HG11 VAL 7 18.945 -3.014 -4.608 60 HG12 VAL 7 HG12 VAL 7 18.360 -4.075 -5.891 61 HG13 VAL 7 HG13 VAL 7 19.828 -3.127 -6.130 62 HG21 VAL 7 HG21 VAL 7 19.882 -1.334 -7.060 63 HG22 VAL 7 HG22 VAL 7 18.467 -0.525 -7.734 64 HG23 VAL 7 HG23 VAL 7 19.030 -0.112 -6.114 65 H TYR 8 H TYR 8 17.984 -1.669 -9.497 66 HA TYR 8 HA TYR 8 19.005 -4.315 -10.293 67 HB2 TYR 8 HB2 TYR 8 17.165 -3.077 -11.674 68 HB3 TYR 8 HB3 TYR 8 18.509 -2.099 -12.253 69 HD1 TYR 8 HD2 TYR 8 18.404 -5.745 -11.498 70 HD2 TYR 8 HD1 TYR 8 18.784 -2.733 -14.479 71 HE1 TYR 8 HE2 TYR 8 18.936 -7.472 -13.167 72 HE2 TYR 8 HE1 TYR 8 19.315 -4.451 -16.156 73 HH TYR 8 HH TYR 8 20.297 -6.825 -16.112 74 H GLU 9 H GLU 9 21.044 -4.157 -9.402 75 HA GLU 9 HA GLU 9 22.712 -1.871 -9.706 76 HB2 GLU 9 HB2 GLU 9 23.648 -4.680 -9.137 77 HB3 GLU 9 HB3 GLU 9 24.426 -3.171 -8.683 78 HG2 GLU 9 HG2 GLU 9 22.361 -2.715 -7.272 79 HG3 GLU 9 HG3 GLU 9 21.950 -4.409 -7.534 80 H ASN 10 H ASN 10 21.740 -4.213 -11.877 81 HA ASN 10 HA ASN 10 24.209 -4.121 -13.443 82 HB2 ASN 10 HB2 ASN 10 21.684 -5.665 -14.057 83 HB3 ASN 10 HB3 ASN 10 23.280 -5.901 -14.764 84 HD21 ASN 10 HD21 ASN 10 24.864 -5.805 -12.519 85 HD22 ASN 10 HD22 ASN 10 24.509 -7.163 -11.511 86 H TYR 11 H TYR 11 23.006 -1.677 -13.287 87 HA TYR 11 HA TYR 11 22.298 -1.221 -16.070 88 HB2 TYR 11 HB2 TYR 11 20.265 -1.426 -14.204 89 HB3 TYR 11 HB3 TYR 11 20.537 0.310 -14.312 90 HD1 TYR 11 HD1 TYR 11 20.097 -2.662 -16.535 91 HD2 TYR 11 HD2 TYR 11 19.418 1.497 -15.950 92 HE1 TYR 11 HE1 TYR 11 18.776 -2.592 -18.608 93 HE2 TYR 11 HE2 TYR 11 18.095 1.579 -18.021 94 HH TYR 11 HH TYR 11 18.166 -0.135 -20.317 95 HA PRO 12 HA PRO 12 24.881 2.286 -15.424 96 HB2 PRO 12 HB2 PRO 12 24.125 3.764 -17.573 97 HB3 PRO 12 HB3 PRO 12 25.140 2.322 -17.707 98 HG2 PRO 12 HG2 PRO 12 22.196 2.617 -18.167 99 HG3 PRO 12 HG3 PRO 12 23.394 1.723 -19.121 100 HD2 PRO 12 HD2 PRO 12 21.735 0.509 -17.359 101 HD3 PRO 12 HD3 PRO 12 23.378 -0.080 -17.685 102 H VAL 13 H VAL 13 24.597 3.831 -13.954 103 HA VAL 13 HA VAL 13 22.108 4.841 -13.153 104 HB VAL 13 HB VAL 13 23.288 6.361 -11.745 105 HG11 VAL 13 HG11 VAL 13 25.205 4.069 -11.898 106 HG12 VAL 13 HG12 VAL 13 24.538 4.877 -10.478 107 HG13 VAL 13 HG13 VAL 13 23.524 3.799 -11.438 108 HG21 VAL 13 HG21 VAL 13 24.782 7.413 -13.267 109 HG22 VAL 13 HG22 VAL 13 25.770 6.674 -12.007 110 HG23 VAL 13 HG23 VAL 13 25.628 5.898 -13.584 111 H SER 14 H SER 14 24.131 5.710 -15.769 112 HA SER 14 HA SER 14 23.443 8.434 -16.047 113 HB2 SER 14 HB2 SER 14 24.992 6.515 -17.478 114 HB3 SER 14 HB3 SER 14 23.892 7.286 -18.621 115 HG SER 14 HG SER 14 24.664 9.322 -17.652 116 H LYS 15 H LYS 15 22.153 5.527 -17.651 117 HA LYS 15 HA LYS 15 20.163 6.812 -19.139 118 HB2 LYS 15 HB2 LYS 15 20.834 4.069 -18.389 119 HB3 LYS 15 HB3 LYS 15 19.104 4.322 -18.573 120 HG2 LYS 15 HG2 LYS 15 19.770 5.453 -20.813 121 HG3 LYS 15 HG3 LYS 15 21.277 4.558 -20.605 122 HD2 LYS 15 HD2 LYS 15 19.182 2.752 -20.065 123 HD3 LYS 15 HD3 LYS 15 18.732 3.625 -21.532 124 HE2 LYS 15 HE2 LYS 15 21.290 2.109 -21.031 125 HE3 LYS 15 HE3 LYS 15 19.987 1.654 -22.127 126 HZ1 LYS 15 HZ1 LYS 15 20.712 4.186 -22.891 127 HZ2 LYS 15 HZ2 LYS 15 21.098 2.745 -23.688 128 HZ3 LYS 15 HZ3 LYS 15 22.181 3.411 -22.572 129 H CYS 16 H CYS 16 20.364 6.146 -15.784 130 HA CYS 16 HA CYS 16 17.541 6.168 -15.262 131 HB2 CYS 16 HB2 CYS 16 20.028 6.045 -13.645 132 HB3 CYS 16 HB3 CYS 16 18.598 6.695 -12.848 133 H GLN 17 H GLN 17 20.190 8.475 -14.670 134 HA GLN 17 HA GLN 17 18.543 10.553 -13.717 135 HB2 GLN 17 HB2 GLN 17 21.285 10.634 -14.983 136 HB3 GLN 17 HB3 GLN 17 20.511 12.017 -14.221 137 HG2 GLN 17 HG2 GLN 17 21.320 11.385 -12.269 138 HG3 GLN 17 HG3 GLN 17 20.404 9.883 -12.379 139 HE21 GLN 17 HE21 GLN 17 22.005 8.712 -11.334 140 HE22 GLN 17 HE22 GLN 17 23.499 8.305 -12.100 141 H LEU 18 H LEU 18 18.983 9.311 -16.837 142 HA LEU 18 HA LEU 18 18.611 11.666 -18.371 143 HB2 LEU 18 HB2 LEU 18 18.596 8.762 -18.843 144 HB3 LEU 18 HB3 LEU 18 17.624 9.711 -19.965 145 HG LEU 18 HG LEU 18 20.496 10.400 -19.439 146 HD11 LEU 18 HD11 LEU 18 20.343 9.000 -21.859 147 HD12 LEU 18 HD12 LEU 18 19.519 7.997 -20.665 148 HD13 LEU 18 HD13 LEU 18 21.180 8.516 -20.384 149 HD21 LEU 18 HD21 LEU 18 18.782 11.889 -20.670 150 HD22 LEU 18 HD22 LEU 18 18.952 10.726 -21.985 151 HD23 LEU 18 HD23 LEU 18 20.360 11.620 -21.409 152 H ARG 19 H ARG 19 16.892 12.781 -17.364 153 HA ARG 19 HA ARG 19 14.325 11.679 -16.952 154 HB2 ARG 19 HB2 ARG 19 15.149 14.561 -17.353 155 HB3 ARG 19 HB3 ARG 19 13.582 14.031 -16.755 156 HG2 ARG 19 HG2 ARG 19 15.433 12.772 -15.104 157 HG3 ARG 19 HG3 ARG 19 16.063 14.404 -15.339 158 HD2 ARG 19 HD2 ARG 19 14.677 14.847 -13.602 159 HD3 ARG 19 HD3 ARG 19 13.498 15.002 -14.903 160 HE ARG 19 HE ARG 19 12.461 13.100 -14.151 161 HH11 ARG 19 HH11 ARG 19 15.593 13.379 -12.656 162 HH12 ARG 19 HH12 ARG 19 15.321 12.080 -11.542 163 HH21 ARG 19 HH21 ARG 19 12.091 11.388 -12.689 164 HH22 ARG 19 HH22 ARG 19 13.329 10.948 -11.562 165 H ILE 20 H ILE 20 15.926 12.884 -19.757 166 HA ILE 20 HA ILE 20 13.534 13.398 -21.270 167 HB ILE 20 HB ILE 20 16.294 12.987 -22.403 168 HG12 ILE 20 HG12 ILE 20 15.097 15.522 -21.263 169 HG13 ILE 20 HG13 ILE 20 16.442 14.616 -20.577 170 HG21 ILE 20 HG21 ILE 20 15.522 14.389 -24.196 171 HG22 ILE 20 HG22 ILE 20 14.363 13.083 -23.957 172 HG23 ILE 20 HG23 ILE 20 14.005 14.700 -23.354 173 HD11 ILE 20 HD11 ILE 20 17.155 16.621 -21.801 174 HD12 ILE 20 HD12 ILE 20 17.812 15.137 -22.490 175 HD13 ILE 20 HD13 ILE 20 16.458 15.949 -23.274 176 H ALA 21 H ALA 21 15.679 10.703 -20.745 177 HA ALA 21 HA ALA 21 13.857 8.993 -22.252 178 HB1 ALA 21 HB1 ALA 21 15.907 9.797 -23.652 179 HB2 ALA 21 HB2 ALA 21 16.778 8.588 -22.708 180 HB3 ALA 21 HB3 ALA 21 15.406 8.107 -23.706 181 H ASN 22 H ASN 22 13.289 8.346 -20.086 182 HA ASN 22 HA ASN 22 15.297 7.003 -18.487 183 HB2 ASN 22 HB2 ASN 22 13.104 8.384 -17.775 184 HB3 ASN 22 HB3 ASN 22 12.417 6.762 -17.802 185 HD21 ASN 22 HD21 ASN 22 12.134 6.568 -15.629 186 HD22 ASN 22 HD22 ASN 22 13.440 6.476 -14.501 187 H GLN 23 H GLN 23 15.905 5.281 -19.842 188 HA GLN 23 HA GLN 23 13.977 3.407 -20.834 189 HB2 GLN 23 HB2 GLN 23 16.772 3.916 -21.177 190 HB3 GLN 23 HB3 GLN 23 16.552 2.221 -20.763 191 HG2 GLN 23 HG2 GLN 23 14.867 3.474 -22.885 192 HG3 GLN 23 HG3 GLN 23 16.515 2.961 -23.244 193 HE21 GLN 23 HE21 GLN 23 13.471 2.033 -23.569 194 HE22 GLN 23 HE22 GLN 23 13.634 0.317 -23.456 195 H CYS 24 H CYS 24 15.083 3.997 -17.793 196 HA CYS 24 HA CYS 24 15.583 1.399 -16.791 197 HB2 CYS 24 HB2 CYS 24 16.347 3.173 -15.445 198 HB3 CYS 24 HB3 CYS 24 14.797 4.005 -15.509 199 H ASN 25 H ASN 25 12.717 3.463 -16.264 200 HA ASN 25 HA ASN 25 11.079 1.532 -15.151 201 HB2 ASN 25 HB2 ASN 25 9.242 2.983 -15.606 202 HB3 ASN 25 HB3 ASN 25 10.636 4.020 -15.317 203 HD21 ASN 25 HD21 ASN 25 11.259 5.409 -16.853 204 HD22 ASN 25 HD22 ASN 25 10.543 5.529 -18.421 205 H TYR 26 H TYR 26 11.666 2.272 -18.547 206 HA TYR 26 HA TYR 26 9.663 0.523 -19.565 207 HB2 TYR 26 HB2 TYR 26 11.180 2.501 -20.654 208 HB3 TYR 26 HB3 TYR 26 12.000 1.076 -21.281 209 HD1 TYR 26 HD1 TYR 26 10.665 -0.606 -22.606 210 HD2 TYR 26 HD2 TYR 26 9.126 3.221 -21.564 211 HE1 TYR 26 HE1 TYR 26 8.955 -0.823 -24.360 212 HE2 TYR 26 HE2 TYR 26 7.411 3.015 -23.315 213 HH TYR 26 HH TYR 26 7.074 0.052 -25.216 214 H ASP 27 H ASP 27 13.111 0.202 -18.897 215 HA ASP 27 HA ASP 27 13.445 -2.346 -20.079 216 HB2 ASP 27 HB2 ASP 27 15.428 -1.137 -19.692 217 HB3 ASP 27 HB3 ASP 27 14.996 -0.795 -18.019 218 H CYS 28 H CYS 28 12.641 -1.304 -16.797 219 HA CYS 28 HA CYS 28 12.798 -3.733 -15.474 220 HB2 CYS 28 HB2 CYS 28 11.123 -1.279 -15.081 221 HB3 CYS 28 HB3 CYS 28 10.830 -2.699 -14.083 222 H LYS 29 H LYS 29 9.846 -2.283 -16.862 223 HA LYS 29 HA LYS 29 8.235 -4.559 -16.516 224 HB2 LYS 29 HB2 LYS 29 7.912 -2.422 -18.628 225 HB3 LYS 29 HB3 LYS 29 6.655 -3.473 -17.988 226 HG2 LYS 29 HG2 LYS 29 6.554 -2.340 -15.970 227 HG3 LYS 29 HG3 LYS 29 8.156 -1.629 -16.176 228 HD2 LYS 29 HD2 LYS 29 6.669 0.142 -16.565 229 HD3 LYS 29 HD3 LYS 29 7.154 -0.391 -18.177 230 HE2 LYS 29 HE2 LYS 29 5.006 -0.645 -18.681 231 HE3 LYS 29 HE3 LYS 29 4.920 -1.941 -17.489 232 HZ1 LYS 29 HZ1 LYS 29 3.251 -0.374 -16.952 233 HZ2 LYS 29 HZ2 LYS 29 4.319 0.932 -17.073 234 HZ3 LYS 29 HZ3 LYS 29 4.477 -0.173 -15.803 235 H LEU 30 H LEU 30 10.470 -3.639 -19.030 236 HA LEU 30 HA LEU 30 9.639 -5.260 -21.121 237 HB2 LEU 30 HB2 LEU 30 11.516 -3.540 -21.059 238 HB3 LEU 30 HB3 LEU 30 12.525 -4.828 -20.405 239 HG LEU 30 HG LEU 30 11.136 -5.508 -22.903 240 HD11 LEU 30 HD11 LEU 30 13.231 -3.344 -22.832 241 HD12 LEU 30 HD12 LEU 30 11.579 -3.210 -23.435 242 HD13 LEU 30 HD13 LEU 30 12.747 -4.224 -24.282 243 HD21 LEU 30 HD21 LEU 30 14.020 -5.672 -22.033 244 HD22 LEU 30 HD22 LEU 30 13.301 -6.461 -23.437 245 HD23 LEU 30 HD23 LEU 30 12.812 -6.938 -21.811 246 H ASP 31 H ASP 31 11.968 -6.045 -18.542 247 HA ASP 31 HA ASP 31 11.626 -8.891 -19.206 248 HB2 ASP 31 HB2 ASP 31 13.922 -7.275 -18.376 249 HB3 ASP 31 HB3 ASP 31 13.747 -8.762 -17.448 250 H LYS 32 H LYS 32 12.493 -7.084 -16.259 251 HA LYS 32 HA LYS 32 11.577 -8.883 -14.402 252 HB2 LYS 32 HB2 LYS 32 11.349 -5.883 -14.124 253 HB3 LYS 32 HB3 LYS 32 11.479 -7.058 -12.821 254 HG2 LYS 32 HG2 LYS 32 13.721 -7.593 -14.274 255 HG3 LYS 32 HG3 LYS 32 13.558 -5.848 -14.481 256 HD2 LYS 32 HD2 LYS 32 13.305 -5.685 -11.982 257 HD3 LYS 32 HD3 LYS 32 13.755 -7.390 -11.899 258 HE2 LYS 32 HE2 LYS 32 15.904 -6.945 -12.827 259 HE3 LYS 32 HE3 LYS 32 15.453 -5.290 -13.233 260 HZ1 LYS 32 HZ1 LYS 32 16.626 -6.215 -10.883 261 HZ2 LYS 32 HZ2 LYS 32 15.067 -5.698 -10.480 262 HZ3 LYS 32 HZ3 LYS 32 16.138 -4.637 -11.248 263 H HIS 33 H HIS 33 9.726 -6.603 -16.302 264 HA HIS 33 HA HIS 33 7.490 -6.385 -16.667 265 HB2 HIS 33 HB2 HIS 33 7.782 -9.009 -16.553 266 HB3 HIS 33 HB3 HIS 33 6.874 -8.826 -15.055 267 HD1 HIS 33 HD1 HIS 33 4.628 -9.704 -15.693 268 HD2 HIS 33 HD2 HIS 33 6.093 -6.965 -18.453 269 HE1 HIS 33 HE1 HIS 33 2.743 -9.303 -17.308 270 H ALA 34 H ALA 34 8.744 -5.214 -14.345 271 HA ALA 34 HA ALA 34 7.224 -5.457 -12.008 272 HB1 ALA 34 HB1 ALA 34 9.347 -3.832 -12.935 273 HB2 ALA 34 HB2 ALA 34 8.109 -2.766 -12.270 274 HB3 ALA 34 HB3 ALA 34 8.783 -4.059 -11.280 275 H ARG 35 H ARG 35 6.258 -3.031 -11.283 276 HA ARG 35 HA ARG 35 3.760 -2.946 -12.722 277 HB2 ARG 35 HB2 ARG 35 4.473 -1.007 -10.555 278 HB3 ARG 35 HB3 ARG 35 2.917 -1.736 -10.929 279 HG2 ARG 35 HG2 ARG 35 5.265 -3.009 -9.554 280 HG3 ARG 35 HG3 ARG 35 3.661 -2.683 -8.894 281 HD2 ARG 35 HD2 ARG 35 4.505 -4.770 -10.869 282 HD3 ARG 35 HD3 ARG 35 3.614 -4.965 -9.360 283 HE ARG 35 HE ARG 35 1.893 -3.523 -10.789 284 HH11 ARG 35 HH11 ARG 35 3.770 -6.326 -11.647 285 HH12 ARG 35 HH12 ARG 35 2.610 -6.915 -12.790 286 HH21 ARG 35 HH21 ARG 35 0.357 -4.288 -12.292 287 HH22 ARG 35 HH22 ARG 35 0.669 -5.755 -13.157 288 H SER 36 H SER 36 6.224 -0.510 -11.868 289 HA SER 36 HA SER 36 5.586 0.888 -14.374 290 HB2 SER 36 HB2 SER 36 6.305 2.904 -12.581 291 HB3 SER 36 HB3 SER 36 4.686 2.576 -13.198 292 HG SER 36 HG SER 36 4.429 1.129 -11.403 293 H GLY 37 H GLY 37 7.867 0.766 -11.636 294 HA2 GLY 37 HA2 GLY 37 10.178 0.471 -11.742 295 HA3 GLY 37 HA3 GLY 37 10.089 0.598 -13.493 296 H GLU 38 H GLU 38 11.616 1.961 -11.124 297 HA GLU 38 HA GLU 38 11.806 4.518 -12.447 298 HB2 GLU 38 HB2 GLU 38 10.557 4.216 -9.745 299 HB3 GLU 38 HB3 GLU 38 11.533 5.639 -10.084 300 HG2 GLU 38 HG2 GLU 38 9.682 6.551 -10.894 301 HG3 GLU 38 HG3 GLU 38 9.876 5.474 -12.275 302 H CYS 39 H CYS 39 13.516 5.898 -11.412 303 HA CYS 39 HA CYS 39 15.641 4.165 -10.343 304 HB2 CYS 39 HB2 CYS 39 15.849 6.755 -11.893 305 HB3 CYS 39 HB3 CYS 39 17.217 5.846 -11.260 306 H PHE 40 H PHE 40 16.698 4.695 -8.493 307 HA PHE 40 HA PHE 40 16.314 7.291 -7.263 308 HB2 PHE 40 HB2 PHE 40 15.367 4.759 -5.905 309 HB3 PHE 40 HB3 PHE 40 15.467 6.343 -5.144 310 HD1 PHE 40 HD1 PHE 40 14.031 8.206 -6.044 311 HD2 PHE 40 HD2 PHE 40 13.493 4.133 -7.155 312 HE1 PHE 40 HE1 PHE 40 11.752 8.722 -6.816 313 HE2 PHE 40 HE2 PHE 40 11.214 4.642 -7.930 314 HZ PHE 40 HZ PHE 40 10.340 6.938 -7.761 315 H TYR 41 H TYR 41 17.693 7.620 -5.396 316 HA TYR 41 HA TYR 41 20.238 6.339 -5.736 317 HB2 TYR 41 HB2 TYR 41 19.258 8.446 -3.807 318 HB3 TYR 41 HB3 TYR 41 20.916 7.856 -3.834 319 HD1 TYR 41 HD1 TYR 41 22.401 8.403 -5.692 320 HD2 TYR 41 HD2 TYR 41 18.417 9.890 -5.558 321 HE1 TYR 41 HE1 TYR 41 22.961 10.044 -7.437 322 HE2 TYR 41 HE2 TYR 41 18.965 11.534 -7.303 323 HH TYR 41 HH TYR 41 20.552 12.382 -8.600 324 H ASP 42 H ASP 42 21.434 5.263 -4.077 325 HA ASP 42 HA ASP 42 19.700 3.752 -2.245 326 HB2 ASP 42 HB2 ASP 42 21.065 1.912 -2.509 327 HB3 ASP 42 HB3 ASP 42 21.244 2.668 -4.090 328 H GLU 43 H GLU 43 21.458 2.760 -0.458 329 HA GLU 43 HA GLU 43 21.720 4.745 1.444 330 HB2 GLU 43 HB2 GLU 43 23.404 2.246 1.197 331 HB3 GLU 43 HB3 GLU 43 23.192 3.203 2.656 332 HG2 GLU 43 HG2 GLU 43 20.773 2.687 2.589 333 HG3 GLU 43 HG3 GLU 43 21.073 1.632 1.209 334 H LYS 44 H LYS 44 24.083 3.626 -0.928 335 HA LYS 44 HA LYS 44 26.073 5.517 0.033 336 HB2 LYS 44 HB2 LYS 44 26.047 3.270 -1.931 337 HB3 LYS 44 HB3 LYS 44 27.269 4.522 -2.111 338 HG2 LYS 44 HG2 LYS 44 27.057 3.580 0.624 339 HG3 LYS 44 HG3 LYS 44 27.437 2.284 -0.512 340 HD2 LYS 44 HD2 LYS 44 29.186 3.974 -1.439 341 HD3 LYS 44 HD3 LYS 44 28.987 4.762 0.128 342 HE2 LYS 44 HE2 LYS 44 29.285 1.934 0.492 343 HE3 LYS 44 HE3 LYS 44 30.603 2.547 -0.506 344 HZ1 LYS 44 HZ1 LYS 44 30.835 4.331 1.263 345 HZ2 LYS 44 HZ2 LYS 44 31.342 2.772 1.681 346 HZ3 LYS 44 HZ3 LYS 44 29.855 3.355 2.238 347 H ARG 45 H ARG 45 23.549 6.477 -1.119 348 HA ARG 45 HA ARG 45 22.758 8.008 -2.612 349 HB2 ARG 45 HB2 ARG 45 25.641 8.911 -2.683 350 HB3 ARG 45 HB3 ARG 45 24.225 9.878 -3.075 351 HG2 ARG 45 HG2 ARG 45 24.080 8.737 -0.411 352 HG3 ARG 45 HG3 ARG 45 25.502 9.758 -0.639 353 HD2 ARG 45 HD2 ARG 45 24.162 11.615 -1.286 354 HD3 ARG 45 HD3 ARG 45 22.716 10.612 -1.392 355 HE ARG 45 HE ARG 45 22.423 10.888 0.854 356 HH11 ARG 45 HH11 ARG 45 25.728 11.637 0.058 357 HH12 ARG 45 HH12 ARG 45 26.123 12.191 1.651 358 HH21 ARG 45 HH21 ARG 45 22.930 11.615 2.955 359 HH22 ARG 45 HH22 ARG 45 24.531 12.178 3.299 360 H ASN 46 H ASN 46 23.279 5.566 -3.800 361 HA ASN 46 HA ASN 46 24.434 6.303 -6.407 362 HB2 ASN 46 HB2 ASN 46 24.009 3.528 -5.277 363 HB3 ASN 46 HB3 ASN 46 24.824 3.931 -6.785 364 HD21 ASN 46 HD21 ASN 46 25.757 2.519 -4.372 365 HD22 ASN 46 HD22 ASN 46 27.175 3.366 -3.864 366 H LEU 47 H LEU 47 22.996 6.711 -7.939 367 HA LEU 47 HA LEU 47 20.236 6.004 -7.664 368 HB2 LEU 47 HB2 LEU 47 21.766 7.826 -9.189 369 HB3 LEU 47 HB3 LEU 47 20.878 6.816 -10.327 370 HG LEU 47 HG LEU 47 19.588 8.338 -8.066 371 HD11 LEU 47 HD11 LEU 47 19.275 9.184 -10.887 372 HD12 LEU 47 HD12 LEU 47 20.790 9.590 -10.081 373 HD13 LEU 47 HD13 LEU 47 19.256 10.139 -9.405 374 HD21 LEU 47 HD21 LEU 47 17.568 7.648 -8.889 375 HD22 LEU 47 HD22 LEU 47 18.552 6.232 -9.261 376 HD23 LEU 47 HD23 LEU 47 18.188 7.410 -10.523 377 H GLN 48 H GLN 48 19.473 4.042 -8.060 378 HA GLN 48 HA GLN 48 20.583 2.539 -10.337 379 HB2 GLN 48 HB2 GLN 48 19.686 1.456 -7.662 380 HB3 GLN 48 HB3 GLN 48 20.091 0.458 -9.052 381 HG2 GLN 48 HG2 GLN 48 22.343 0.943 -8.915 382 HG3 GLN 48 HG3 GLN 48 22.072 2.429 -8.005 383 HE21 GLN 48 HE21 GLN 48 20.523 1.655 -5.956 384 HE22 GLN 48 HE22 GLN 48 21.342 0.497 -4.969 385 H CYS 49 H CYS 49 19.094 1.003 -11.323 386 HA CYS 49 HA CYS 49 16.492 2.161 -11.657 387 HB2 CYS 49 HB2 CYS 49 17.852 1.098 -13.497 388 HB3 CYS 49 HB3 CYS 49 17.494 -0.464 -12.769 389 H ILE 50 H ILE 50 15.391 1.943 -9.720 390 HA ILE 50 HA ILE 50 15.051 -0.704 -8.564 391 HB ILE 50 HB ILE 50 14.119 2.030 -7.713 392 HG12 ILE 50 HG12 ILE 50 15.523 0.582 -5.706 393 HG13 ILE 50 HG13 ILE 50 16.431 0.429 -7.206 394 HG21 ILE 50 HG21 ILE 50 13.255 0.863 -5.662 395 HG22 ILE 50 HG22 ILE 50 12.318 0.597 -7.131 396 HG23 ILE 50 HG23 ILE 50 13.415 -0.653 -6.548 397 HD11 ILE 50 HD11 ILE 50 16.256 2.644 -5.416 398 HD12 ILE 50 HD12 ILE 50 17.288 2.427 -6.830 399 HD13 ILE 50 HD13 ILE 50 15.679 3.124 -7.011 400 H CYS 51 H CYS 51 13.493 -2.023 -9.204 401 HA CYS 51 HA CYS 51 11.194 -0.936 -10.651 402 HB2 CYS 51 HB2 CYS 51 11.890 -3.850 -10.295 403 HB3 CYS 51 HB3 CYS 51 10.848 -3.127 -11.516 404 H ASP 52 H ASP 52 9.069 -2.078 -10.252 405 HA ASP 52 HA ASP 52 8.676 -2.383 -7.349 406 HB2 ASP 52 HB2 ASP 52 7.095 -1.045 -9.475 407 HB3 ASP 52 HB3 ASP 52 6.183 -1.886 -8.225 408 H TYR 53 H TYR 53 8.118 -4.327 -6.643 409 HA TYR 53 HA TYR 53 6.837 -6.192 -8.533 410 HB2 TYR 53 HB2 TYR 53 9.145 -6.531 -6.720 411 HB3 TYR 53 HB3 TYR 53 7.987 -7.856 -6.722 412 HD1 TYR 53 HD1 TYR 53 10.326 -5.915 -8.811 413 HD2 TYR 53 HD2 TYR 53 7.800 -9.332 -8.591 414 HE1 TYR 53 HE1 TYR 53 11.343 -6.792 -10.871 415 HE2 TYR 53 HE2 TYR 53 8.812 -10.219 -10.650 416 HH TYR 53 HH TYR 53 11.613 -9.313 -11.862 417 H CYS 54 H CYS 54 4.761 -6.337 -7.990 418 HA CYS 54 HA CYS 54 3.974 -7.396 -5.475 419 HB2 CYS 54 HB2 CYS 54 3.943 -4.490 -5.806 420 HB3 CYS 54 HB3 CYS 54 2.373 -5.148 -5.358 421 H GLU 55 H GLU 55 2.268 -5.098 -7.580 422 HA GLU 55 HA GLU 55 -0.023 -6.708 -7.830 423 HB2 GLU 55 HB2 GLU 55 0.793 -4.126 -8.651 424 HB3 GLU 55 HB3 GLU 55 0.240 -4.966 -10.093 425 HG2 GLU 55 HG2 GLU 55 -1.617 -5.483 -8.016 426 HG3 GLU 55 HG3 GLU 55 -1.296 -3.750 -8.049 427 H TYR 56 H TYR 56 -0.724 -6.840 -10.449 428 HA TYR 56 HA TYR 56 1.323 -8.151 -12.000 429 HB2 TYR 56 HB2 TYR 56 -0.070 -9.742 -10.212 430 HB3 TYR 56 HB3 TYR 56 -0.936 -9.981 -11.726 431 HD1 TYR 56 HD1 TYR 56 0.663 -10.395 -13.820 432 HD2 TYR 56 HD2 TYR 56 1.712 -11.136 -9.764 433 HE1 TYR 56 HE1 TYR 56 2.390 -11.981 -14.563 434 HE2 TYR 56 HE2 TYR 56 3.442 -12.723 -10.495 435 HH TYR 56 HH TYR 56 4.209 -13.926 -12.261 Start of MODEL 13 1 H1 GLN 1 H GLN 1 1.902 1.219 0.776 2 HA GLN 1 HA GLN 1 2.026 -0.668 -1.240 3 HB2 GLN 1 HB2 GLN 1 1.531 2.053 -2.438 4 HB3 GLN 1 HB3 GLN 1 1.672 0.514 -3.276 5 HG2 GLN 1 HG2 GLN 1 -0.422 -0.016 -1.675 6 HG3 GLN 1 HG3 GLN 1 -0.631 1.720 -1.900 7 HE21 GLN 1 HE21 GLN 1 0.013 2.236 -4.386 8 HE22 GLN 1 HE22 GLN 1 -0.938 1.333 -5.509 9 H ASP 2 H ASP 2 3.708 0.317 -3.084 10 HA ASP 2 HA ASP 2 5.917 0.769 -3.406 11 HB2 ASP 2 HB2 ASP 2 5.575 2.963 -1.365 12 HB3 ASP 2 HB3 ASP 2 6.661 2.927 -2.751 13 H LYS 3 H LYS 3 5.367 -1.216 -1.473 14 HA LYS 3 HA LYS 3 7.517 -0.787 0.493 15 HB2 LYS 3 HB2 LYS 3 6.454 -2.381 1.918 16 HB3 LYS 3 HB3 LYS 3 5.210 -1.262 1.374 17 HG2 LYS 3 HG2 LYS 3 4.403 -2.870 -0.229 18 HG3 LYS 3 HG3 LYS 3 5.715 -3.979 0.177 19 HD2 LYS 3 HD2 LYS 3 4.640 -4.749 1.983 20 HD3 LYS 3 HD3 LYS 3 4.180 -3.126 2.504 21 HE2 LYS 3 HE2 LYS 3 2.113 -3.973 2.047 22 HE3 LYS 3 HE3 LYS 3 2.520 -3.334 0.455 23 HZ1 LYS 3 HZ1 LYS 3 1.923 -5.976 1.161 24 HZ2 LYS 3 HZ2 LYS 3 3.532 -5.935 0.641 25 HZ3 LYS 3 HZ3 LYS 3 2.302 -5.361 -0.369 26 H CYS 4 H CYS 4 6.863 -2.277 -2.391 27 HA CYS 4 HA CYS 4 8.954 -4.296 -1.915 28 HB2 CYS 4 HB2 CYS 4 7.728 -5.583 -3.805 29 HB3 CYS 4 HB3 CYS 4 7.064 -5.638 -2.175 30 H LYS 5 H LYS 5 10.578 -4.391 -3.374 31 HA LYS 5 HA LYS 5 10.387 -3.384 -6.029 32 HB2 LYS 5 HB2 LYS 5 11.737 -1.438 -5.892 33 HB3 LYS 5 HB3 LYS 5 10.511 -1.269 -4.643 34 HG2 LYS 5 HG2 LYS 5 12.776 -2.581 -3.523 35 HG3 LYS 5 HG3 LYS 5 13.315 -1.133 -4.376 36 HD2 LYS 5 HD2 LYS 5 11.104 -0.216 -3.070 37 HD3 LYS 5 HD3 LYS 5 11.732 -1.400 -1.921 38 HE2 LYS 5 HE2 LYS 5 13.971 -0.001 -2.812 39 HE3 LYS 5 HE3 LYS 5 12.727 1.229 -2.595 40 HZ1 LYS 5 HZ1 LYS 5 12.960 -0.723 -0.459 41 HZ2 LYS 5 HZ2 LYS 5 12.714 0.948 -0.377 42 HZ3 LYS 5 HZ3 LYS 5 14.270 0.334 -0.625 43 H LYS 6 H LYS 6 12.666 -3.253 -7.035 44 HA LYS 6 HA LYS 6 14.607 -4.983 -5.723 45 HB2 LYS 6 HB2 LYS 6 13.241 -5.657 -8.327 46 HB3 LYS 6 HB3 LYS 6 14.785 -6.358 -7.859 47 HG2 LYS 6 HG2 LYS 6 13.650 -7.169 -5.761 48 HG3 LYS 6 HG3 LYS 6 12.124 -6.682 -6.502 49 HD2 LYS 6 HD2 LYS 6 12.408 -9.000 -6.952 50 HD3 LYS 6 HD3 LYS 6 12.730 -8.141 -8.460 51 HE2 LYS 6 HE2 LYS 6 14.779 -8.992 -8.562 52 HE3 LYS 6 HE3 LYS 6 15.151 -8.395 -6.945 53 HZ1 LYS 6 HZ1 LYS 6 13.650 -10.903 -7.437 54 HZ2 LYS 6 HZ2 LYS 6 14.320 -10.369 -5.978 55 HZ3 LYS 6 HZ3 LYS 6 15.330 -10.855 -7.245 56 H VAL 7 H VAL 7 16.420 -3.841 -5.836 57 HA VAL 7 HA VAL 7 16.882 -1.848 -7.829 58 HB VAL 7 HB VAL 7 17.763 -1.742 -5.481 59 HG11 VAL 7 HG11 VAL 7 19.337 -3.150 -4.673 60 HG12 VAL 7 HG12 VAL 7 18.648 -4.248 -5.871 61 HG13 VAL 7 HG13 VAL 7 20.121 -3.349 -6.239 62 HG21 VAL 7 HG21 VAL 7 19.295 -0.266 -6.180 63 HG22 VAL 7 HG22 VAL 7 20.211 -1.490 -7.060 64 HG23 VAL 7 HG23 VAL 7 18.801 -0.738 -7.806 65 H TYR 8 H TYR 8 18.277 -1.860 -9.556 66 HA TYR 8 HA TYR 8 19.321 -4.503 -10.337 67 HB2 TYR 8 HB2 TYR 8 17.461 -3.401 -11.732 68 HB3 TYR 8 HB3 TYR 8 18.702 -2.270 -12.262 69 HD1 TYR 8 HD1 TYR 8 18.992 -5.930 -11.646 70 HD2 TYR 8 HD2 TYR 8 19.020 -2.789 -14.515 71 HE1 TYR 8 HE1 TYR 8 19.700 -7.527 -13.377 72 HE2 TYR 8 HE2 TYR 8 19.727 -4.377 -16.255 73 HH TYR 8 HH TYR 8 19.387 -7.224 -16.396 74 H GLU 9 H GLU 9 21.329 -4.200 -9.321 75 HA GLU 9 HA GLU 9 22.979 -1.955 -9.620 76 HB2 GLU 9 HB2 GLU 9 23.925 -4.799 -9.255 77 HB3 GLU 9 HB3 GLU 9 24.763 -3.327 -8.782 78 HG2 GLU 9 HG2 GLU 9 22.200 -4.368 -7.597 79 HG3 GLU 9 HG3 GLU 9 23.799 -4.437 -6.857 80 H ASN 10 H ASN 10 22.132 -4.395 -11.840 81 HA ASN 10 HA ASN 10 24.505 -4.030 -13.488 82 HB2 ASN 10 HB2 ASN 10 22.118 -5.848 -13.604 83 HB3 ASN 10 HB3 ASN 10 23.130 -5.626 -15.028 84 HD21 ASN 10 HD21 ASN 10 23.902 -5.849 -11.577 85 HD22 ASN 10 HD22 ASN 10 24.984 -7.187 -11.731 86 H TYR 11 H TYR 11 23.272 -1.647 -13.226 87 HA TYR 11 HA TYR 11 22.398 -1.124 -15.949 88 HB2 TYR 11 HB2 TYR 11 20.453 -1.470 -14.070 89 HB3 TYR 11 HB3 TYR 11 20.730 0.265 -13.955 90 HD1 TYR 11 HD1 TYR 11 20.050 -2.421 -16.451 91 HD2 TYR 11 HD2 TYR 11 19.682 1.700 -15.456 92 HE1 TYR 11 HE1 TYR 11 18.646 -2.072 -18.440 93 HE2 TYR 11 HE2 TYR 11 18.275 2.059 -17.442 94 HH TYR 11 HH TYR 11 17.963 -0.264 -19.917 95 HA PRO 12 HA PRO 12 24.981 2.391 -15.330 96 HB2 PRO 12 HB2 PRO 12 24.140 3.887 -17.434 97 HB3 PRO 12 HB3 PRO 12 25.168 2.460 -17.619 98 HG2 PRO 12 HG2 PRO 12 22.208 2.723 -17.983 99 HG3 PRO 12 HG3 PRO 12 23.386 1.857 -18.986 100 HD2 PRO 12 HD2 PRO 12 21.799 0.599 -17.189 101 HD3 PRO 12 HD3 PRO 12 23.438 0.035 -17.575 102 H VAL 13 H VAL 13 24.774 4.002 -13.918 103 HA VAL 13 HA VAL 13 22.264 4.955 -13.026 104 HB VAL 13 HB VAL 13 23.449 6.392 -11.561 105 HG11 VAL 13 HG11 VAL 13 23.731 3.855 -11.327 106 HG12 VAL 13 HG12 VAL 13 25.380 4.121 -11.896 107 HG13 VAL 13 HG13 VAL 13 24.823 4.893 -10.411 108 HG21 VAL 13 HG21 VAL 13 24.901 7.597 -12.951 109 HG22 VAL 13 HG22 VAL 13 25.969 6.690 -11.880 110 HG23 VAL 13 HG23 VAL 13 25.700 6.135 -13.532 111 H SER 14 H SER 14 24.277 5.864 -15.633 112 HA SER 14 HA SER 14 23.593 8.604 -15.835 113 HB2 SER 14 HB2 SER 14 25.172 6.732 -17.297 114 HB3 SER 14 HB3 SER 14 24.083 7.530 -18.432 115 HG SER 14 HG SER 14 25.315 9.212 -18.286 116 H LYS 15 H LYS 15 22.375 5.757 -17.603 117 HA LYS 15 HA LYS 15 20.381 7.077 -19.047 118 HB2 LYS 15 HB2 LYS 15 21.068 4.306 -18.397 119 HB3 LYS 15 HB3 LYS 15 19.343 4.556 -18.629 120 HG2 LYS 15 HG2 LYS 15 20.024 5.759 -20.798 121 HG3 LYS 15 HG3 LYS 15 21.580 4.955 -20.575 122 HD2 LYS 15 HD2 LYS 15 19.479 3.057 -20.184 123 HD3 LYS 15 HD3 LYS 15 19.215 3.904 -21.710 124 HE2 LYS 15 HE2 LYS 15 21.824 3.445 -21.956 125 HE3 LYS 15 HE3 LYS 15 21.427 2.105 -20.881 126 HZ1 LYS 15 HZ1 LYS 15 19.775 2.564 -23.265 127 HZ2 LYS 15 HZ2 LYS 15 20.104 1.119 -22.450 128 HZ3 LYS 15 HZ3 LYS 15 21.281 1.816 -23.445 129 H CYS 16 H CYS 16 20.526 6.189 -15.725 130 HA CYS 16 HA CYS 16 17.720 6.121 -15.220 131 HB2 CYS 16 HB2 CYS 16 20.199 6.158 -13.574 132 HB3 CYS 16 HB3 CYS 16 18.704 6.663 -12.793 133 H GLN 17 H GLN 17 20.229 8.571 -14.588 134 HA GLN 17 HA GLN 17 18.494 10.543 -13.598 135 HB2 GLN 17 HB2 GLN 17 21.190 10.764 -14.939 136 HB3 GLN 17 HB3 GLN 17 20.356 12.129 -14.209 137 HG2 GLN 17 HG2 GLN 17 21.251 11.610 -12.261 138 HG3 GLN 17 HG3 GLN 17 20.388 10.073 -12.287 139 HE21 GLN 17 HE21 GLN 17 22.079 9.043 -11.209 140 HE22 GLN 17 HE22 GLN 17 23.560 8.643 -12.004 141 H LEU 18 H LEU 18 18.972 9.379 -16.764 142 HA LEU 18 HA LEU 18 18.309 11.734 -18.214 143 HB2 LEU 18 HB2 LEU 18 18.636 8.862 -18.801 144 HB3 LEU 18 HB3 LEU 18 17.586 9.759 -19.897 145 HG LEU 18 HG LEU 18 20.323 10.797 -19.295 146 HD11 LEU 18 HD11 LEU 18 20.595 9.386 -21.647 147 HD12 LEU 18 HD12 LEU 18 19.716 8.274 -20.598 148 HD13 LEU 18 HD13 LEU 18 21.265 8.938 -20.078 149 HD21 LEU 18 HD21 LEU 18 20.085 11.954 -21.283 150 HD22 LEU 18 HD22 LEU 18 18.442 11.966 -20.642 151 HD23 LEU 18 HD23 LEU 18 18.884 10.828 -21.916 152 H ARG 19 H ARG 19 16.471 12.535 -17.073 153 HA ARG 19 HA ARG 19 14.084 11.127 -16.681 154 HB2 ARG 19 HB2 ARG 19 14.946 13.933 -16.616 155 HB3 ARG 19 HB3 ARG 19 13.251 13.716 -17.030 156 HG2 ARG 19 HG2 ARG 19 13.715 12.017 -14.859 157 HG3 ARG 19 HG3 ARG 19 14.546 13.527 -14.477 158 HD2 ARG 19 HD2 ARG 19 11.823 13.757 -15.607 159 HD3 ARG 19 HD3 ARG 19 11.946 13.107 -13.973 160 HE ARG 19 HE ARG 19 13.515 15.410 -14.101 161 HH11 ARG 19 HH11 ARG 19 10.162 14.495 -14.308 162 HH12 ARG 19 HH12 ARG 19 9.577 16.004 -13.689 163 HH21 ARG 19 HH21 ARG 19 12.757 17.400 -13.284 164 HH22 ARG 19 HH22 ARG 19 11.054 17.656 -13.107 165 H ILE 20 H ILE 20 15.496 12.350 -19.538 166 HA ILE 20 HA ILE 20 13.020 12.581 -21.011 167 HB ILE 20 HB ILE 20 15.786 12.502 -22.197 168 HG12 ILE 20 HG12 ILE 20 15.711 14.161 -20.357 169 HG13 ILE 20 HG13 ILE 20 15.903 14.917 -21.935 170 HG21 ILE 20 HG21 ILE 20 14.691 12.826 -24.098 171 HG22 ILE 20 HG22 ILE 20 13.155 12.857 -23.235 172 HG23 ILE 20 HG23 ILE 20 14.067 14.348 -23.463 173 HD11 ILE 20 HD11 ILE 20 13.669 15.665 -21.950 174 HD12 ILE 20 HD12 ILE 20 13.241 14.646 -20.576 175 HD13 ILE 20 HD13 ILE 20 14.305 16.034 -20.348 176 H ALA 21 H ALA 21 15.908 10.504 -21.300 177 HA ALA 21 HA ALA 21 14.203 8.471 -22.581 178 HB1 ALA 21 HB1 ALA 21 16.279 9.542 -23.763 179 HB2 ALA 21 HB2 ALA 21 17.177 8.388 -22.776 180 HB3 ALA 21 HB3 ALA 21 15.956 7.815 -23.912 181 H ASN 22 H ASN 22 13.701 8.149 -20.147 182 HA ASN 22 HA ASN 22 15.682 6.791 -18.586 183 HB2 ASN 22 HB2 ASN 22 13.480 8.122 -17.886 184 HB3 ASN 22 HB3 ASN 22 12.782 6.507 -17.958 185 HD21 ASN 22 HD21 ASN 22 12.441 6.314 -15.786 186 HD22 ASN 22 HD22 ASN 22 13.721 6.178 -14.633 187 H GLN 23 H GLN 23 16.355 5.074 -19.930 188 HA GLN 23 HA GLN 23 14.512 3.123 -20.914 189 HB2 GLN 23 HB2 GLN 23 17.295 3.707 -21.200 190 HB3 GLN 23 HB3 GLN 23 17.123 2.018 -20.742 191 HG2 GLN 23 HG2 GLN 23 15.454 3.153 -22.942 192 HG3 GLN 23 HG3 GLN 23 17.125 2.681 -23.243 193 HE21 GLN 23 HE21 GLN 23 14.118 1.649 -23.612 194 HE22 GLN 23 HE22 GLN 23 14.331 -0.058 -23.445 195 H CYS 24 H CYS 24 15.570 3.789 -17.857 196 HA CYS 24 HA CYS 24 16.083 1.219 -16.800 197 HB2 CYS 24 HB2 CYS 24 16.787 3.060 -15.493 198 HB3 CYS 24 HB3 CYS 24 15.199 3.818 -15.559 199 H ASN 25 H ASN 25 13.165 3.243 -16.430 200 HA ASN 25 HA ASN 25 11.541 1.293 -15.297 201 HB2 ASN 25 HB2 ASN 25 9.701 2.720 -15.762 202 HB3 ASN 25 HB3 ASN 25 11.079 3.787 -15.511 203 HD21 ASN 25 HD21 ASN 25 11.620 5.178 -17.064 204 HD22 ASN 25 HD22 ASN 25 10.909 5.234 -18.638 205 H TYR 26 H TYR 26 12.194 2.012 -18.683 206 HA TYR 26 HA TYR 26 10.232 0.229 -19.728 207 HB2 TYR 26 HB2 TYR 26 11.792 2.218 -20.791 208 HB3 TYR 26 HB3 TYR 26 12.561 0.772 -21.436 209 HD1 TYR 26 HD2 TYR 26 9.043 1.928 -20.876 210 HD2 TYR 26 HD1 TYR 26 11.871 0.222 -23.558 211 HE1 TYR 26 HE2 TYR 26 7.304 1.783 -22.609 212 HE2 TYR 26 HE1 TYR 26 10.140 0.073 -25.299 213 HH TYR 26 HH TYR 26 7.322 -0.064 -25.084 214 H ASP 27 H ASP 27 13.631 -0.050 -18.887 215 HA ASP 27 HA ASP 27 14.052 -2.591 -20.084 216 HB2 ASP 27 HB2 ASP 27 16.016 -1.388 -19.655 217 HB3 ASP 27 HB3 ASP 27 15.518 -0.980 -18.015 218 H CYS 28 H CYS 28 13.135 -1.546 -16.833 219 HA CYS 28 HA CYS 28 13.293 -3.958 -15.485 220 HB2 CYS 28 HB2 CYS 28 11.524 -1.554 -15.178 221 HB3 CYS 28 HB3 CYS 28 11.269 -2.968 -14.162 222 H LYS 29 H LYS 29 10.355 -2.593 -16.985 223 HA LYS 29 HA LYS 29 8.803 -4.922 -16.684 224 HB2 LYS 29 HB2 LYS 29 8.459 -2.789 -18.796 225 HB3 LYS 29 HB3 LYS 29 7.222 -3.874 -18.174 226 HG2 LYS 29 HG2 LYS 29 7.018 -2.724 -16.189 227 HG3 LYS 29 HG3 LYS 29 8.634 -2.022 -16.308 228 HD2 LYS 29 HD2 LYS 29 7.206 -0.230 -16.764 229 HD3 LYS 29 HD3 LYS 29 7.723 -0.776 -18.361 230 HE2 LYS 29 HE2 LYS 29 5.589 -1.014 -18.926 231 HE3 LYS 29 HE3 LYS 29 5.436 -2.277 -17.706 232 HZ1 LYS 29 HZ1 LYS 29 5.326 0.326 -16.551 233 HZ2 LYS 29 HZ2 LYS 29 4.222 -0.949 -16.430 234 HZ3 LYS 29 HZ3 LYS 29 4.130 0.129 -17.731 235 H LEU 30 H LEU 30 11.076 -3.914 -19.127 236 HA LEU 30 HA LEU 30 10.354 -5.531 -21.258 237 HB2 LEU 30 HB2 LEU 30 12.552 -3.931 -20.537 238 HB3 LEU 30 HB3 LEU 30 13.208 -5.508 -20.974 239 HG LEU 30 HG LEU 30 11.364 -4.833 -22.990 240 HD11 LEU 30 HD11 LEU 30 13.101 -2.521 -22.163 241 HD12 LEU 30 HD12 LEU 30 11.354 -2.541 -22.400 242 HD13 LEU 30 HD13 LEU 30 12.434 -2.696 -23.786 243 HD21 LEU 30 HD21 LEU 30 14.379 -4.745 -22.938 244 HD22 LEU 30 HD22 LEU 30 13.379 -4.786 -24.391 245 HD23 LEU 30 HD23 LEU 30 13.380 -6.158 -23.281 246 H ASP 31 H ASP 31 12.615 -6.296 -18.613 247 HA ASP 31 HA ASP 31 12.346 -9.142 -19.313 248 HB2 ASP 31 HB2 ASP 31 14.598 -7.494 -18.439 249 HB3 ASP 31 HB3 ASP 31 14.430 -8.981 -17.510 250 H LYS 32 H LYS 32 13.117 -7.336 -16.339 251 HA LYS 32 HA LYS 32 12.202 -9.168 -14.513 252 HB2 LYS 32 HB2 LYS 32 11.890 -6.181 -14.198 253 HB3 LYS 32 HB3 LYS 32 12.067 -7.372 -12.917 254 HG2 LYS 32 HG2 LYS 32 14.323 -7.801 -14.379 255 HG3 LYS 32 HG3 LYS 32 14.095 -6.061 -14.564 256 HD2 LYS 32 HD2 LYS 32 13.908 -5.870 -12.100 257 HD3 LYS 32 HD3 LYS 32 14.262 -7.595 -11.970 258 HE2 LYS 32 HE2 LYS 32 16.432 -7.254 -12.993 259 HE3 LYS 32 HE3 LYS 32 16.075 -5.546 -13.242 260 HZ1 LYS 32 HZ1 LYS 32 15.734 -6.296 -10.517 261 HZ2 LYS 32 HZ2 LYS 32 16.705 -5.080 -11.181 262 HZ3 LYS 32 HZ3 LYS 32 17.297 -6.660 -11.054 263 H HIS 33 H HIS 33 10.348 -6.950 -16.467 264 HA HIS 33 HA HIS 33 8.115 -6.773 -16.874 265 HB2 HIS 33 HB2 HIS 33 8.415 -9.362 -16.799 266 HB3 HIS 33 HB3 HIS 33 7.594 -9.240 -15.245 267 HD1 HIS 33 HD1 HIS 33 6.851 -7.553 -18.579 268 HD2 HIS 33 HD2 HIS 33 5.038 -9.964 -15.722 269 HE1 HIS 33 HE1 HIS 33 4.476 -7.842 -19.353 270 H ALA 34 H ALA 34 9.289 -5.529 -14.560 271 HA ALA 34 HA ALA 34 7.740 -5.777 -12.241 272 HB1 ALA 34 HB1 ALA 34 8.587 -3.062 -12.606 273 HB2 ALA 34 HB2 ALA 34 9.195 -4.282 -11.486 274 HB3 ALA 34 HB3 ALA 34 9.864 -4.167 -13.114 275 H ARG 35 H ARG 35 6.712 -3.350 -11.582 276 HA ARG 35 HA ARG 35 4.238 -3.352 -13.071 277 HB2 ARG 35 HB2 ARG 35 4.958 -1.479 -10.824 278 HB3 ARG 35 HB3 ARG 35 3.358 -2.000 -11.335 279 HG2 ARG 35 HG2 ARG 35 3.784 -4.233 -10.512 280 HG3 ARG 35 HG3 ARG 35 5.434 -3.782 -10.079 281 HD2 ARG 35 HD2 ARG 35 4.033 -3.754 -8.109 282 HD3 ARG 35 HD3 ARG 35 4.538 -2.112 -8.506 283 HE ARG 35 HE ARG 35 2.032 -2.691 -9.685 284 HH11 ARG 35 HH11 ARG 35 3.521 -1.973 -6.622 285 HH12 ARG 35 HH12 ARG 35 2.092 -1.267 -5.944 286 HH21 ARG 35 HH21 ARG 35 0.143 -1.764 -8.804 287 HH22 ARG 35 HH22 ARG 35 0.170 -1.149 -7.186 288 H SER 36 H SER 36 6.595 -0.833 -12.156 289 HA SER 36 HA SER 36 5.992 0.529 -14.690 290 HB2 SER 36 HB2 SER 36 5.696 2.613 -13.688 291 HB3 SER 36 HB3 SER 36 4.896 1.537 -12.542 292 HG SER 36 HG SER 36 7.153 3.065 -12.237 293 H GLY 37 H GLY 37 8.205 0.423 -11.901 294 HA2 GLY 37 HA2 GLY 37 10.524 0.206 -11.946 295 HA3 GLY 37 HA3 GLY 37 10.477 0.346 -13.697 296 H GLU 38 H GLU 38 11.905 1.727 -11.278 297 HA GLU 38 HA GLU 38 12.055 4.302 -12.573 298 HB2 GLU 38 HB2 GLU 38 10.780 3.941 -9.887 299 HB3 GLU 38 HB3 GLU 38 11.698 5.402 -10.221 300 HG2 GLU 38 HG2 GLU 38 10.233 5.654 -12.287 301 HG3 GLU 38 HG3 GLU 38 9.204 4.421 -11.561 302 H CYS 39 H CYS 39 13.708 5.715 -11.494 303 HA CYS 39 HA CYS 39 15.844 4.032 -10.366 304 HB2 CYS 39 HB2 CYS 39 16.036 6.581 -11.983 305 HB3 CYS 39 HB3 CYS 39 17.410 5.734 -11.281 306 H PHE 40 H PHE 40 16.852 4.619 -8.506 307 HA PHE 40 HA PHE 40 16.400 7.236 -7.344 308 HB2 PHE 40 HB2 PHE 40 15.489 4.725 -5.923 309 HB3 PHE 40 HB3 PHE 40 15.506 6.344 -5.233 310 HD1 PHE 40 HD1 PHE 40 14.036 8.112 -6.278 311 HD2 PHE 40 HD2 PHE 40 13.670 3.967 -7.176 312 HE1 PHE 40 HE1 PHE 40 11.764 8.502 -7.136 313 HE2 PHE 40 HE2 PHE 40 11.397 4.351 -8.037 314 HZ PHE 40 HZ PHE 40 10.441 6.621 -8.018 315 H TYR 41 H TYR 41 17.692 7.581 -5.386 316 HA TYR 41 HA TYR 41 20.293 6.408 -5.678 317 HB2 TYR 41 HB2 TYR 41 19.178 8.415 -3.715 318 HB3 TYR 41 HB3 TYR 41 20.860 7.899 -3.727 319 HD1 TYR 41 HD1 TYR 41 18.257 9.671 -5.659 320 HD2 TYR 41 HD2 TYR 41 22.401 8.770 -5.319 321 HE1 TYR 41 HE1 TYR 41 18.763 11.391 -7.342 322 HE2 TYR 41 HE2 TYR 41 22.919 10.488 -7.000 323 HH TYR 41 HH TYR 41 21.580 11.594 -8.973 324 H ASP 42 H ASP 42 21.475 5.303 -4.044 325 HA ASP 42 HA ASP 42 19.751 3.713 -2.268 326 HB2 ASP 42 HB2 ASP 42 21.439 1.982 -2.356 327 HB3 ASP 42 HB3 ASP 42 21.033 2.467 -4.000 328 H GLU 43 H GLU 43 21.597 2.680 -0.544 329 HA GLU 43 HA GLU 43 21.875 4.737 1.356 330 HB2 GLU 43 HB2 GLU 43 23.425 2.152 1.377 331 HB3 GLU 43 HB3 GLU 43 22.918 3.120 2.754 332 HG2 GLU 43 HG2 GLU 43 20.548 2.506 1.478 333 HG3 GLU 43 HG3 GLU 43 21.506 1.034 1.327 334 H LYS 44 H LYS 44 23.814 3.864 -1.295 335 HA LYS 44 HA LYS 44 26.175 5.203 -0.174 336 HB2 LYS 44 HB2 LYS 44 25.747 3.194 -2.328 337 HB3 LYS 44 HB3 LYS 44 27.082 4.321 -2.525 338 HG2 LYS 44 HG2 LYS 44 26.953 3.105 0.127 339 HG3 LYS 44 HG3 LYS 44 27.195 1.949 -1.185 340 HD2 LYS 44 HD2 LYS 44 29.309 2.601 -1.473 341 HD3 LYS 44 HD3 LYS 44 28.844 4.303 -1.526 342 HE2 LYS 44 HE2 LYS 44 30.126 4.338 0.355 343 HE3 LYS 44 HE3 LYS 44 28.576 3.922 1.083 344 HZ1 LYS 44 HZ1 LYS 44 29.191 1.678 1.253 345 HZ2 LYS 44 HZ2 LYS 44 30.548 2.541 1.777 346 HZ3 LYS 44 HZ3 LYS 44 30.523 1.863 0.227 347 H ARG 45 H ARG 45 23.672 6.513 -1.162 348 HA ARG 45 HA ARG 45 23.026 8.292 -2.432 349 HB2 ARG 45 HB2 ARG 45 25.952 8.999 -2.570 350 HB3 ARG 45 HB3 ARG 45 24.571 10.088 -2.574 351 HG2 ARG 45 HG2 ARG 45 25.376 8.369 -0.238 352 HG3 ARG 45 HG3 ARG 45 25.822 10.065 -0.441 353 HD2 ARG 45 HD2 ARG 45 23.114 10.127 -0.821 354 HD3 ARG 45 HD3 ARG 45 23.288 8.870 0.403 355 HE ARG 45 HE ARG 45 23.820 10.491 1.918 356 HH11 ARG 45 HH11 ARG 45 24.275 11.766 -1.290 357 HH12 ARG 45 HH12 ARG 45 24.609 13.376 -0.743 358 HH21 ARG 45 HH21 ARG 45 24.258 12.606 2.649 359 HH22 ARG 45 HH22 ARG 45 24.600 13.852 1.497 360 H ASN 46 H ASN 46 23.696 5.829 -3.838 361 HA ASN 46 HA ASN 46 24.576 6.925 -6.427 362 HB2 ASN 46 HB2 ASN 46 24.611 4.052 -5.472 363 HB3 ASN 46 HB3 ASN 46 25.163 4.616 -7.047 364 HD21 ASN 46 HD21 ASN 46 26.673 3.201 -5.067 365 HD22 ASN 46 HD22 ASN 46 27.992 4.219 -4.613 366 H LEU 47 H LEU 47 23.142 7.033 -8.027 367 HA LEU 47 HA LEU 47 20.438 6.178 -7.599 368 HB2 LEU 47 HB2 LEU 47 21.775 8.041 -9.242 369 HB3 LEU 47 HB3 LEU 47 20.937 6.923 -10.317 370 HG LEU 47 HG LEU 47 19.550 8.351 -8.060 371 HD11 LEU 47 HD11 LEU 47 19.260 9.273 -10.864 372 HD12 LEU 47 HD12 LEU 47 20.704 9.765 -9.979 373 HD13 LEU 47 HD13 LEU 47 19.106 10.169 -9.352 374 HD21 LEU 47 HD21 LEU 47 18.303 7.374 -10.591 375 HD22 LEU 47 HD22 LEU 47 17.579 7.612 -9.001 376 HD23 LEU 47 HD23 LEU 47 18.647 6.238 -9.287 377 H GLN 48 H GLN 48 19.683 4.216 -7.995 378 HA GLN 48 HA GLN 48 20.901 2.649 -10.172 379 HB2 GLN 48 HB2 GLN 48 20.052 1.746 -7.425 380 HB3 GLN 48 HB3 GLN 48 20.271 0.618 -8.757 381 HG2 GLN 48 HG2 GLN 48 22.444 0.545 -8.379 382 HG3 GLN 48 HG3 GLN 48 22.568 2.290 -8.592 383 HE21 GLN 48 HE21 GLN 48 21.431 -0.046 -6.173 384 HE22 GLN 48 HE22 GLN 48 22.106 0.776 -4.812 385 H CYS 49 H CYS 49 19.477 1.023 -11.124 386 HA CYS 49 HA CYS 49 16.841 2.104 -11.547 387 HB2 CYS 49 HB2 CYS 49 18.251 1.137 -13.379 388 HB3 CYS 49 HB3 CYS 49 18.026 -0.450 -12.650 389 H ILE 50 H ILE 50 15.604 1.818 -9.738 390 HA ILE 50 HA ILE 50 15.384 -0.853 -8.576 391 HB ILE 50 HB ILE 50 14.299 1.821 -7.704 392 HG12 ILE 50 HG12 ILE 50 15.841 0.369 -5.757 393 HG13 ILE 50 HG13 ILE 50 16.744 0.478 -7.263 394 HG21 ILE 50 HG21 ILE 50 13.808 -0.912 -6.540 395 HG22 ILE 50 HG22 ILE 50 13.509 0.592 -5.672 396 HG23 ILE 50 HG23 ILE 50 12.611 0.232 -7.146 397 HD11 ILE 50 HD11 ILE 50 15.777 3.026 -6.938 398 HD12 ILE 50 HD12 ILE 50 16.151 2.520 -5.290 399 HD13 ILE 50 HD13 ILE 50 17.400 2.469 -6.533 400 H CYS 51 H CYS 51 13.886 -2.213 -9.271 401 HA CYS 51 HA CYS 51 11.595 -1.193 -10.771 402 HB2 CYS 51 HB2 CYS 51 12.377 -4.081 -10.367 403 HB3 CYS 51 HB3 CYS 51 11.312 -3.416 -11.601 404 H ASP 52 H ASP 52 9.475 -2.307 -10.413 405 HA ASP 52 HA ASP 52 9.013 -2.635 -7.523 406 HB2 ASP 52 HB2 ASP 52 6.532 -2.185 -8.598 407 HB3 ASP 52 HB3 ASP 52 7.560 -0.949 -7.880 408 H TYR 53 H TYR 53 8.474 -4.592 -6.841 409 HA TYR 53 HA TYR 53 7.264 -6.467 -8.766 410 HB2 TYR 53 HB2 TYR 53 9.508 -6.777 -6.874 411 HB3 TYR 53 HB3 TYR 53 8.360 -8.111 -6.898 412 HD1 TYR 53 HD2 TYR 53 10.694 -6.138 -8.979 413 HD2 TYR 53 HD1 TYR 53 8.302 -9.646 -8.708 414 HE1 TYR 53 HE2 TYR 53 11.782 -7.029 -10.997 415 HE2 TYR 53 HE1 TYR 53 9.384 -10.547 -10.724 416 HH TYR 53 HH TYR 53 10.882 -10.202 -12.321 417 H CYS 54 H CYS 54 5.164 -6.591 -8.301 418 HA CYS 54 HA CYS 54 4.283 -7.678 -5.831 419 HB2 CYS 54 HB2 CYS 54 4.273 -4.766 -6.124 420 HB3 CYS 54 HB3 CYS 54 2.691 -5.427 -5.725 421 H GLU 55 H GLU 55 3.114 -5.583 -8.471 422 HA GLU 55 HA GLU 55 1.436 -5.844 -9.986 423 HB2 GLU 55 HB2 GLU 55 2.570 -8.402 -9.681 424 HB3 GLU 55 HB3 GLU 55 0.828 -8.641 -9.644 425 HG2 GLU 55 HG2 GLU 55 1.060 -6.959 -11.747 426 HG3 GLU 55 HG3 GLU 55 2.582 -7.840 -11.855 427 H TYR 56 H TYR 56 -0.854 -6.074 -10.142 428 HA TYR 56 HA TYR 56 -2.976 -5.918 -9.340 429 HB2 TYR 56 HB2 TYR 56 -2.314 -8.360 -8.733 430 HB3 TYR 56 HB3 TYR 56 -2.236 -7.756 -7.082 431 HD1 TYR 56 HD1 TYR 56 -4.413 -6.199 -6.510 432 HD2 TYR 56 HD2 TYR 56 -4.278 -9.412 -9.296 433 HE1 TYR 56 HE1 TYR 56 -6.845 -6.488 -6.285 434 HE2 TYR 56 HE2 TYR 56 -6.710 -9.710 -9.079 435 HH TYR 56 HH TYR 56 -8.479 -9.203 -7.360 Start of MODEL 14 1 H1 GLN 1 H GLN 1 3.128 4.270 0.468 2 HA GLN 1 HA GLN 1 1.974 2.005 0.572 3 HB2 GLN 1 HB2 GLN 1 2.098 3.834 -1.742 4 HB3 GLN 1 HB3 GLN 1 1.449 2.235 -2.080 5 HG2 GLN 1 HG2 GLN 1 -0.506 2.967 -1.352 6 HG3 GLN 1 HG3 GLN 1 0.190 3.022 0.267 7 HE21 GLN 1 HE21 GLN 1 -1.861 4.703 -0.947 8 HE22 GLN 1 HE22 GLN 1 -1.277 6.325 -0.838 9 H ASP 2 H ASP 2 4.362 2.436 -2.037 10 HA ASP 2 HA ASP 2 4.379 -0.355 -2.687 11 HB2 ASP 2 HB2 ASP 2 6.123 1.964 -3.520 12 HB3 ASP 2 HB3 ASP 2 6.394 0.318 -4.088 13 H LYS 3 H LYS 3 4.902 -1.429 -0.769 14 HA LYS 3 HA LYS 3 7.456 -0.857 0.504 15 HB2 LYS 3 HB2 LYS 3 6.779 -2.497 2.171 16 HB3 LYS 3 HB3 LYS 3 5.487 -1.335 1.903 17 HG2 LYS 3 HG2 LYS 3 4.162 -2.881 0.778 18 HG3 LYS 3 HG3 LYS 3 5.525 -3.955 0.456 19 HD2 LYS 3 HD2 LYS 3 5.657 -4.181 3.026 20 HD3 LYS 3 HD3 LYS 3 4.016 -3.530 3.012 21 HE2 LYS 3 HE2 LYS 3 4.883 -5.935 1.416 22 HE3 LYS 3 HE3 LYS 3 4.167 -6.033 3.024 23 HZ1 LYS 3 HZ1 LYS 3 2.255 -6.147 1.898 24 HZ2 LYS 3 HZ2 LYS 3 2.912 -5.501 0.480 25 HZ3 LYS 3 HZ3 LYS 3 2.411 -4.471 1.726 26 H CYS 4 H CYS 4 6.726 -2.353 -2.215 27 HA CYS 4 HA CYS 4 8.773 -4.436 -1.831 28 HB2 CYS 4 HB2 CYS 4 7.513 -5.703 -3.662 29 HB3 CYS 4 HB3 CYS 4 6.775 -5.670 -2.063 30 H LYS 5 H LYS 5 10.350 -4.557 -3.346 31 HA LYS 5 HA LYS 5 10.127 -3.453 -5.959 32 HB2 LYS 5 HB2 LYS 5 11.869 -1.685 -5.663 33 HB3 LYS 5 HB3 LYS 5 10.344 -1.329 -4.863 34 HG2 LYS 5 HG2 LYS 5 11.903 -0.722 -3.276 35 HG3 LYS 5 HG3 LYS 5 11.469 -2.359 -2.776 36 HD2 LYS 5 HD2 LYS 5 13.568 -3.056 -3.035 37 HD3 LYS 5 HD3 LYS 5 13.628 -2.422 -4.681 38 HE2 LYS 5 HE2 LYS 5 15.307 -1.225 -3.637 39 HE3 LYS 5 HE3 LYS 5 13.935 -0.126 -3.508 40 HZ1 LYS 5 HZ1 LYS 5 15.334 -1.598 -1.427 41 HZ2 LYS 5 HZ2 LYS 5 13.655 -1.492 -1.257 42 HZ3 LYS 5 HZ3 LYS 5 14.585 -0.083 -1.365 43 H LYS 6 H LYS 6 12.418 -3.331 -6.992 44 HA LYS 6 HA LYS 6 14.308 -5.197 -5.804 45 HB2 LYS 6 HB2 LYS 6 12.861 -5.714 -8.399 46 HB3 LYS 6 HB3 LYS 6 14.390 -6.487 -7.999 47 HG2 LYS 6 HG2 LYS 6 13.229 -7.286 -5.871 48 HG3 LYS 6 HG3 LYS 6 11.726 -6.807 -6.662 49 HD2 LYS 6 HD2 LYS 6 11.712 -8.805 -7.646 50 HD3 LYS 6 HD3 LYS 6 13.112 -8.277 -8.583 51 HE2 LYS 6 HE2 LYS 6 14.441 -9.015 -6.456 52 HE3 LYS 6 HE3 LYS 6 12.997 -9.970 -6.125 53 HZ1 LYS 6 HZ1 LYS 6 13.668 -10.356 -8.802 54 HZ2 LYS 6 HZ2 LYS 6 13.738 -11.481 -7.541 55 HZ3 LYS 6 HZ3 LYS 6 15.092 -10.535 -7.906 56 H VAL 7 H VAL 7 16.149 -4.098 -5.901 57 HA VAL 7 HA VAL 7 16.643 -2.076 -7.869 58 HB VAL 7 HB VAL 7 17.512 -1.987 -5.521 59 HG11 VAL 7 HG11 VAL 7 18.381 -4.522 -5.974 60 HG12 VAL 7 HG12 VAL 7 19.870 -3.599 -6.191 61 HG13 VAL 7 HG13 VAL 7 18.967 -3.477 -4.680 62 HG21 VAL 7 HG21 VAL 7 20.016 -1.742 -6.913 63 HG22 VAL 7 HG22 VAL 7 18.694 -1.138 -7.912 64 HG23 VAL 7 HG23 VAL 7 18.951 -0.479 -6.296 65 H TYR 8 H TYR 8 18.043 -2.102 -9.590 66 HA TYR 8 HA TYR 8 19.051 -4.755 -10.379 67 HB2 TYR 8 HB2 TYR 8 17.219 -3.663 -11.785 68 HB3 TYR 8 HB3 TYR 8 18.438 -2.491 -12.274 69 HD1 TYR 8 HD1 TYR 8 18.854 -6.147 -11.736 70 HD2 TYR 8 HD2 TYR 8 18.743 -2.956 -14.547 71 HE1 TYR 8 HE1 TYR 8 19.615 -7.683 -13.500 72 HE2 TYR 8 HE2 TYR 8 19.503 -4.483 -16.319 73 HH TYR 8 HH TYR 8 19.543 -7.857 -15.947 74 H GLU 9 H GLU 9 21.031 -4.402 -9.259 75 HA GLU 9 HA GLU 9 22.721 -2.215 -9.551 76 HB2 GLU 9 HB2 GLU 9 23.649 -5.072 -9.260 77 HB3 GLU 9 HB3 GLU 9 24.483 -3.618 -8.732 78 HG2 GLU 9 HG2 GLU 9 22.574 -3.211 -7.158 79 HG3 GLU 9 HG3 GLU 9 21.979 -4.816 -7.582 80 H ASN 10 H ASN 10 21.935 -4.697 -11.789 81 HA ASN 10 HA ASN 10 24.285 -4.252 -13.438 82 HB2 ASN 10 HB2 ASN 10 21.949 -6.125 -13.536 83 HB3 ASN 10 HB3 ASN 10 22.893 -5.844 -14.997 84 HD21 ASN 10 HD21 ASN 10 22.970 -7.055 -11.724 85 HD22 ASN 10 HD22 ASN 10 24.413 -7.989 -11.897 86 H TYR 11 H TYR 11 23.120 -1.880 -13.212 87 HA TYR 11 HA TYR 11 22.154 -1.378 -15.908 88 HB2 TYR 11 HB2 TYR 11 20.267 -1.661 -13.978 89 HB3 TYR 11 HB3 TYR 11 20.603 0.062 -13.846 90 HD1 TYR 11 HD1 TYR 11 19.874 -2.525 -16.442 91 HD2 TYR 11 HD2 TYR 11 19.430 1.521 -15.202 92 HE1 TYR 11 HE1 TYR 11 18.414 -2.099 -18.375 93 HE2 TYR 11 HE2 TYR 11 17.968 1.958 -17.131 94 HH TYR 11 HH TYR 11 17.733 -0.073 -19.756 95 HA PRO 12 HA PRO 12 24.852 2.075 -15.441 96 HB2 PRO 12 HB2 PRO 12 23.989 3.544 -17.554 97 HB3 PRO 12 HB3 PRO 12 24.975 2.088 -17.735 98 HG2 PRO 12 HG2 PRO 12 22.014 2.418 -18.022 99 HG3 PRO 12 HG3 PRO 12 23.141 1.500 -19.037 100 HD2 PRO 12 HD2 PRO 12 21.574 0.324 -17.168 101 HD3 PRO 12 HD3 PRO 12 23.187 -0.290 -17.586 102 H VAL 13 H VAL 13 24.692 3.662 -13.997 103 HA VAL 13 HA VAL 13 22.243 4.718 -13.085 104 HB VAL 13 HB VAL 13 23.518 6.192 -11.705 105 HG11 VAL 13 HG11 VAL 13 24.876 4.664 -10.524 106 HG12 VAL 13 HG12 VAL 13 23.611 3.696 -11.284 107 HG13 VAL 13 HG13 VAL 13 25.231 3.736 -11.981 108 HG21 VAL 13 HG21 VAL 13 25.182 7.297 -12.714 109 HG22 VAL 13 HG22 VAL 13 26.182 5.908 -12.291 110 HG23 VAL 13 HG23 VAL 13 25.445 6.010 -13.890 111 H SER 14 H SER 14 24.204 5.524 -15.761 112 HA SER 14 HA SER 14 23.627 8.277 -16.001 113 HB2 SER 14 HB2 SER 14 25.026 6.297 -17.503 114 HB3 SER 14 HB3 SER 14 23.920 7.130 -18.596 115 HG SER 14 HG SER 14 25.528 8.516 -18.620 116 H LYS 15 H LYS 15 22.177 5.465 -17.645 117 HA LYS 15 HA LYS 15 20.174 6.857 -19.004 118 HB2 LYS 15 HB2 LYS 15 20.766 4.069 -18.348 119 HB3 LYS 15 HB3 LYS 15 19.043 4.395 -18.478 120 HG2 LYS 15 HG2 LYS 15 19.651 5.538 -20.706 121 HG3 LYS 15 HG3 LYS 15 21.171 4.652 -20.564 122 HD2 LYS 15 HD2 LYS 15 18.994 2.881 -20.015 123 HD3 LYS 15 HD3 LYS 15 18.690 3.718 -21.539 124 HE2 LYS 15 HE2 LYS 15 21.235 3.111 -21.949 125 HE3 LYS 15 HE3 LYS 15 20.863 1.828 -20.799 126 HZ1 LYS 15 HZ1 LYS 15 18.877 1.368 -22.304 127 HZ2 LYS 15 HZ2 LYS 15 20.404 0.903 -22.865 128 HZ3 LYS 15 HZ3 LYS 15 19.676 2.310 -23.460 129 H CYS 16 H CYS 16 20.413 5.892 -15.686 130 HA CYS 16 HA CYS 16 17.641 6.048 -15.053 131 HB2 CYS 16 HB2 CYS 16 20.183 5.933 -13.484 132 HB3 CYS 16 HB3 CYS 16 18.703 6.414 -12.661 133 H GLN 17 H GLN 17 20.248 8.361 -15.231 134 HA GLN 17 HA GLN 17 18.726 10.444 -13.914 135 HB2 GLN 17 HB2 GLN 17 21.414 10.456 -15.292 136 HB3 GLN 17 HB3 GLN 17 20.696 11.873 -14.539 137 HG2 GLN 17 HG2 GLN 17 20.940 9.422 -12.894 138 HG3 GLN 17 HG3 GLN 17 22.416 10.306 -13.276 139 HE21 GLN 17 HE21 GLN 17 22.567 10.698 -10.997 140 HE22 GLN 17 HE22 GLN 17 21.656 11.978 -10.278 141 H LEU 18 H LEU 18 18.967 9.163 -17.031 142 HA LEU 18 HA LEU 18 18.603 11.496 -18.589 143 HB2 LEU 18 HB2 LEU 18 18.432 8.590 -18.989 144 HB3 LEU 18 HB3 LEU 18 17.414 9.549 -20.062 145 HG LEU 18 HG LEU 18 20.344 10.130 -19.766 146 HD11 LEU 18 HD11 LEU 18 19.171 7.756 -20.875 147 HD12 LEU 18 HD12 LEU 18 20.870 8.200 -20.723 148 HD13 LEU 18 HD13 LEU 18 19.952 8.704 -22.141 149 HD21 LEU 18 HD21 LEU 18 20.111 11.298 -21.771 150 HD22 LEU 18 HD22 LEU 18 18.640 11.694 -20.881 151 HD23 LEU 18 HD23 LEU 18 18.593 10.494 -22.174 152 H ARG 19 H ARG 19 17.006 12.749 -17.592 153 HA ARG 19 HA ARG 19 14.419 11.791 -16.956 154 HB2 ARG 19 HB2 ARG 19 15.285 14.624 -17.562 155 HB3 ARG 19 HB3 ARG 19 13.807 14.147 -16.737 156 HG2 ARG 19 HG2 ARG 19 16.477 13.356 -15.649 157 HG3 ARG 19 HG3 ARG 19 15.815 14.964 -15.346 158 HD2 ARG 19 HD2 ARG 19 13.732 13.813 -14.507 159 HD3 ARG 19 HD3 ARG 19 14.636 12.302 -14.581 160 HE ARG 19 HE ARG 19 16.171 14.065 -13.104 161 HH11 ARG 19 HH11 ARG 19 13.028 12.586 -12.875 162 HH12 ARG 19 HH12 ARG 19 13.009 12.589 -11.143 163 HH21 ARG 19 HH21 ARG 19 16.158 14.074 -10.823 164 HH22 ARG 19 HH22 ARG 19 14.789 13.436 -9.977 165 H ILE 20 H ILE 20 15.895 12.845 -19.897 166 HA ILE 20 HA ILE 20 13.430 13.393 -21.277 167 HB ILE 20 HB ILE 20 16.098 12.862 -22.567 168 HG12 ILE 20 HG12 ILE 20 15.063 15.463 -21.418 169 HG13 ILE 20 HG13 ILE 20 16.420 14.527 -20.798 170 HG21 ILE 20 HG21 ILE 20 14.083 12.985 -24.002 171 HG22 ILE 20 HG22 ILE 20 13.803 14.622 -23.411 172 HG23 ILE 20 HG23 ILE 20 15.257 14.257 -24.340 173 HD11 ILE 20 HD11 ILE 20 17.121 16.475 -22.114 174 HD12 ILE 20 HD12 ILE 20 17.675 14.953 -22.813 175 HD13 ILE 20 HD13 ILE 20 16.301 15.800 -23.522 176 H ALA 21 H ALA 21 15.548 10.654 -20.832 177 HA ALA 21 HA ALA 21 13.580 8.957 -22.166 178 HB1 ALA 21 HB1 ALA 21 15.110 7.875 -23.586 179 HB2 ALA 21 HB2 ALA 21 15.424 9.599 -23.791 180 HB3 ALA 21 HB3 ALA 21 16.499 8.620 -22.793 181 H ASN 22 H ASN 22 13.133 8.404 -19.940 182 HA ASN 22 HA ASN 22 15.168 7.107 -18.370 183 HB2 ASN 22 HB2 ASN 22 12.932 8.416 -17.670 184 HB3 ASN 22 HB3 ASN 22 12.297 6.773 -17.677 185 HD21 ASN 22 HD21 ASN 22 12.046 6.489 -15.531 186 HD22 ASN 22 HD22 ASN 22 13.344 6.495 -14.392 187 H GLN 23 H GLN 23 15.835 5.391 -19.714 188 HA GLN 23 HA GLN 23 14.014 3.436 -20.707 189 HB2 GLN 23 HB2 GLN 23 16.813 3.997 -20.913 190 HB3 GLN 23 HB3 GLN 23 16.606 2.308 -20.469 191 HG2 GLN 23 HG2 GLN 23 15.052 3.509 -22.726 192 HG3 GLN 23 HG3 GLN 23 16.703 2.933 -22.956 193 HE21 GLN 23 HE21 GLN 23 13.655 2.084 -23.442 194 HE22 GLN 23 HE22 GLN 23 13.756 0.370 -23.258 195 H CYS 24 H CYS 24 15.103 4.092 -17.628 196 HA CYS 24 HA CYS 24 15.488 1.493 -16.580 197 HB2 CYS 24 HB2 CYS 24 15.448 4.180 -15.588 198 HB3 CYS 24 HB3 CYS 24 14.446 3.175 -14.546 199 H ASN 25 H ASN 25 12.688 3.688 -16.285 200 HA ASN 25 HA ASN 25 10.955 1.902 -15.055 201 HB2 ASN 25 HB2 ASN 25 10.420 4.256 -15.199 202 HB3 ASN 25 HB3 ASN 25 10.346 4.173 -16.957 203 HD21 ASN 25 HD21 ASN 25 8.684 2.744 -17.872 204 HD22 ASN 25 HD22 ASN 25 7.169 2.620 -17.051 205 H TYR 26 H TYR 26 11.656 2.373 -18.477 206 HA TYR 26 HA TYR 26 9.623 0.589 -19.398 207 HB2 TYR 26 HB2 TYR 26 11.087 2.502 -20.613 208 HB3 TYR 26 HB3 TYR 26 11.992 1.077 -21.110 209 HD1 TYR 26 HD2 TYR 26 8.771 2.824 -21.337 210 HD2 TYR 26 HD1 TYR 26 11.041 -0.532 -22.636 211 HE1 TYR 26 HE2 TYR 26 7.123 2.404 -23.114 212 HE2 TYR 26 HE1 TYR 26 9.400 -0.961 -24.417 213 HH TYR 26 HH TYR 26 7.624 -0.128 -25.525 214 H ASP 27 H ASP 27 13.108 0.318 -18.837 215 HA ASP 27 HA ASP 27 13.460 -2.276 -19.832 216 HB2 ASP 27 HB2 ASP 27 15.435 -1.080 -19.429 217 HB3 ASP 27 HB3 ASP 27 14.939 -0.627 -17.801 218 H CYS 28 H CYS 28 12.543 -1.127 -16.617 219 HA CYS 28 HA CYS 28 12.679 -3.467 -15.170 220 HB2 CYS 28 HB2 CYS 28 10.898 -1.066 -15.021 221 HB3 CYS 28 HB3 CYS 28 10.562 -2.448 -13.983 222 H LYS 29 H LYS 29 9.759 -2.239 -16.813 223 HA LYS 29 HA LYS 29 8.311 -4.657 -16.474 224 HB2 LYS 29 HB2 LYS 29 7.776 -2.529 -18.545 225 HB3 LYS 29 HB3 LYS 29 6.623 -3.657 -17.844 226 HG2 LYS 29 HG2 LYS 29 6.432 -2.472 -15.898 227 HG3 LYS 29 HG3 LYS 29 8.048 -1.774 -16.037 228 HD2 LYS 29 HD2 LYS 29 6.608 0.021 -16.462 229 HD3 LYS 29 HD3 LYS 29 7.119 -0.511 -18.066 230 HE2 LYS 29 HE2 LYS 29 4.952 -0.616 -18.580 231 HE3 LYS 29 HE3 LYS 29 4.878 -2.044 -17.548 232 HZ1 LYS 29 HZ1 LYS 29 4.622 -0.130 -15.732 233 HZ2 LYS 29 HZ2 LYS 29 3.301 -0.831 -16.523 234 HZ3 LYS 29 HZ3 LYS 29 3.914 0.653 -17.054 235 H LEU 30 H LEU 30 10.481 -3.462 -18.920 236 HA LEU 30 HA LEU 30 9.813 -5.017 -21.104 237 HB2 LEU 30 HB2 LEU 30 11.573 -3.227 -20.966 238 HB3 LEU 30 HB3 LEU 30 12.632 -4.426 -20.226 239 HG LEU 30 HG LEU 30 11.465 -5.204 -22.816 240 HD11 LEU 30 HD11 LEU 30 12.953 -3.831 -24.131 241 HD12 LEU 30 HD12 LEU 30 13.566 -3.047 -22.676 242 HD13 LEU 30 HD13 LEU 30 11.891 -2.801 -23.170 243 HD21 LEU 30 HD21 LEU 30 13.116 -6.550 -21.582 244 HD22 LEU 30 HD22 LEU 30 14.279 -5.232 -21.728 245 HD23 LEU 30 HD23 LEU 30 13.701 -6.063 -23.173 246 H ASP 31 H ASP 31 12.112 -5.837 -18.508 247 HA ASP 31 HA ASP 31 11.882 -8.660 -19.311 248 HB2 ASP 31 HB2 ASP 31 14.130 -7.005 -18.441 249 HB3 ASP 31 HB3 ASP 31 14.010 -8.521 -17.553 250 H LYS 32 H LYS 32 12.733 -6.979 -16.288 251 HA LYS 32 HA LYS 32 11.881 -8.882 -14.512 252 HB2 LYS 32 HB2 LYS 32 11.514 -5.923 -14.047 253 HB3 LYS 32 HB3 LYS 32 11.805 -7.171 -12.842 254 HG2 LYS 32 HG2 LYS 32 13.986 -7.428 -14.465 255 HG3 LYS 32 HG3 LYS 32 13.689 -5.689 -14.506 256 HD2 LYS 32 HD2 LYS 32 13.764 -5.579 -12.094 257 HD3 LYS 32 HD3 LYS 32 13.915 -7.334 -11.986 258 HE2 LYS 32 HE2 LYS 32 16.054 -7.168 -13.239 259 HE3 LYS 32 HE3 LYS 32 15.910 -5.412 -13.179 260 HZ1 LYS 32 HZ1 LYS 32 16.631 -5.367 -11.089 261 HZ2 LYS 32 HZ2 LYS 32 17.134 -6.965 -11.320 262 HZ3 LYS 32 HZ3 LYS 32 15.635 -6.646 -10.605 263 H HIS 33 H HIS 33 9.947 -6.684 -16.386 264 HA HIS 33 HA HIS 33 7.703 -6.512 -16.715 265 HB2 HIS 33 HB2 HIS 33 8.110 -9.150 -16.552 266 HB3 HIS 33 HB3 HIS 33 7.099 -8.953 -15.123 267 HD1 HIS 33 HD1 HIS 33 6.426 -10.335 -18.012 268 HD2 HIS 33 HD2 HIS 33 4.999 -6.747 -16.477 269 HE1 HIS 33 HE1 HIS 33 4.263 -9.901 -19.218 270 H ALA 34 H ALA 34 8.988 -5.415 -14.317 271 HA ALA 34 HA ALA 34 7.427 -5.703 -12.018 272 HB1 ALA 34 HB1 ALA 34 8.278 -3.067 -11.978 273 HB2 ALA 34 HB2 ALA 34 9.143 -4.462 -11.333 274 HB3 ALA 34 HB3 ALA 34 9.480 -3.895 -12.969 275 H ARG 35 H ARG 35 6.382 -3.417 -11.176 276 HA ARG 35 HA ARG 35 3.929 -3.240 -12.636 277 HB2 ARG 35 HB2 ARG 35 4.813 -1.453 -10.370 278 HB3 ARG 35 HB3 ARG 35 3.167 -1.817 -10.874 279 HG2 ARG 35 HG2 ARG 35 3.317 -4.040 -10.054 280 HG3 ARG 35 HG3 ARG 35 5.056 -3.891 -9.794 281 HD2 ARG 35 HD2 ARG 35 3.595 -3.707 -7.736 282 HD3 ARG 35 HD3 ARG 35 4.759 -2.407 -7.986 283 HE ARG 35 HE ARG 35 3.011 -0.955 -8.130 284 HH11 ARG 35 HH11 ARG 35 1.841 -4.164 -8.803 285 HH12 ARG 35 HH12 ARG 35 0.181 -3.678 -8.905 286 HH21 ARG 35 HH21 ARG 35 0.829 -0.303 -8.262 287 HH22 ARG 35 HH22 ARG 35 -0.393 -1.481 -8.598 288 H SER 36 H SER 36 6.409 -0.818 -11.790 289 HA SER 36 HA SER 36 5.752 0.596 -14.282 290 HB2 SER 36 HB2 SER 36 5.095 2.446 -13.201 291 HB3 SER 36 HB3 SER 36 5.171 1.537 -11.692 292 HG SER 36 HG SER 36 6.472 3.515 -11.808 293 H GLY 37 H GLY 37 8.075 0.480 -11.577 294 HA2 GLY 37 HA2 GLY 37 10.382 0.177 -11.705 295 HA3 GLY 37 HA3 GLY 37 10.268 0.248 -13.457 296 H GLU 38 H GLU 38 11.772 1.697 -11.083 297 HA GLU 38 HA GLU 38 12.017 4.190 -12.518 298 HB2 GLU 38 HB2 GLU 38 10.803 4.045 -9.772 299 HB3 GLU 38 HB3 GLU 38 11.675 5.477 -10.302 300 HG2 GLU 38 HG2 GLU 38 10.034 5.193 -12.385 301 HG3 GLU 38 HG3 GLU 38 9.042 4.438 -11.139 302 H CYS 39 H CYS 39 13.721 5.598 -11.520 303 HA CYS 39 HA CYS 39 15.799 3.903 -10.305 304 HB2 CYS 39 HB2 CYS 39 16.028 6.328 -12.094 305 HB3 CYS 39 HB3 CYS 39 17.400 5.586 -11.276 306 H PHE 40 H PHE 40 16.847 4.554 -8.484 307 HA PHE 40 HA PHE 40 16.426 7.229 -7.433 308 HB2 PHE 40 HB2 PHE 40 15.549 4.763 -5.914 309 HB3 PHE 40 HB3 PHE 40 15.615 6.393 -5.251 310 HD1 PHE 40 HD1 PHE 40 14.129 8.163 -6.249 311 HD2 PHE 40 HD2 PHE 40 13.684 4.019 -7.114 312 HE1 PHE 40 HE1 PHE 40 11.834 8.576 -7.035 313 HE2 PHE 40 HE2 PHE 40 11.389 4.426 -7.901 314 HZ PHE 40 HZ PHE 40 10.461 6.707 -7.863 315 H TYR 41 H TYR 41 17.798 7.705 -5.588 316 HA TYR 41 HA TYR 41 20.396 6.579 -5.891 317 HB2 TYR 41 HB2 TYR 41 19.231 8.576 -3.955 318 HB3 TYR 41 HB3 TYR 41 20.912 8.062 -3.878 319 HD1 TYR 41 HD2 TYR 41 18.422 9.919 -5.837 320 HD2 TYR 41 HD1 TYR 41 22.513 8.792 -5.529 321 HE1 TYR 41 HE2 TYR 41 19.009 11.613 -7.521 322 HE2 TYR 41 HE1 TYR 41 23.112 10.483 -7.212 323 HH TYR 41 HH TYR 41 21.221 12.972 -8.070 324 H ASP 42 H ASP 42 21.648 5.479 -4.321 325 HA ASP 42 HA ASP 42 20.035 3.751 -2.587 326 HB2 ASP 42 HB2 ASP 42 21.897 3.039 -4.393 327 HB3 ASP 42 HB3 ASP 42 22.927 3.211 -2.975 328 H GLU 43 H GLU 43 21.925 2.895 -0.795 329 HA GLU 43 HA GLU 43 21.844 4.900 1.170 330 HB2 GLU 43 HB2 GLU 43 23.630 2.463 1.084 331 HB3 GLU 43 HB3 GLU 43 23.228 3.403 2.513 332 HG2 GLU 43 HG2 GLU 43 20.835 2.793 2.142 333 HG3 GLU 43 HG3 GLU 43 21.376 1.702 0.867 334 H LYS 44 H LYS 44 24.324 3.960 -1.124 335 HA LYS 44 HA LYS 44 26.214 5.867 0.025 336 HB2 LYS 44 HB2 LYS 44 26.396 3.568 -1.839 337 HB3 LYS 44 HB3 LYS 44 27.527 4.887 -2.111 338 HG2 LYS 44 HG2 LYS 44 27.294 3.976 0.676 339 HG3 LYS 44 HG3 LYS 44 27.988 2.814 -0.456 340 HD2 LYS 44 HD2 LYS 44 29.918 3.920 -0.477 341 HD3 LYS 44 HD3 LYS 44 29.099 5.418 -0.927 342 HE2 LYS 44 HE2 LYS 44 28.799 6.056 1.305 343 HE3 LYS 44 HE3 LYS 44 29.101 4.426 1.905 344 HZ1 LYS 44 HZ1 LYS 44 30.999 5.781 2.352 345 HZ2 LYS 44 HZ2 LYS 44 31.096 6.291 0.742 346 HZ3 LYS 44 HZ3 LYS 44 31.423 4.679 1.139 347 H ARG 45 H ARG 45 23.693 6.594 -1.448 348 HA ARG 45 HA ARG 45 22.997 8.217 -2.881 349 HB2 ARG 45 HB2 ARG 45 25.899 9.049 -2.997 350 HB3 ARG 45 HB3 ARG 45 24.498 10.039 -3.385 351 HG2 ARG 45 HG2 ARG 45 24.332 8.976 -0.703 352 HG3 ARG 45 HG3 ARG 45 25.816 9.897 -0.954 353 HD2 ARG 45 HD2 ARG 45 24.048 11.539 -2.138 354 HD3 ARG 45 HD3 ARG 45 23.002 10.791 -0.932 355 HE ARG 45 HE ARG 45 25.183 11.513 0.499 356 HH11 ARG 45 HH11 ARG 45 23.075 13.218 -1.686 357 HH12 ARG 45 HH12 ARG 45 23.279 14.747 -0.897 358 HH21 ARG 45 HH21 ARG 45 25.460 13.521 1.546 359 HH22 ARG 45 HH22 ARG 45 24.637 14.918 0.940 360 H ASN 46 H ASN 46 23.478 5.717 -3.980 361 HA ASN 46 HA ASN 46 24.616 6.357 -6.620 362 HB2 ASN 46 HB2 ASN 46 24.129 3.521 -5.968 363 HB3 ASN 46 HB3 ASN 46 25.516 4.278 -6.746 364 HD21 ASN 46 HD21 ASN 46 27.322 4.440 -5.620 365 HD22 ASN 46 HD22 ASN 46 27.465 4.241 -3.909 366 H LEU 47 H LEU 47 23.075 6.840 -8.035 367 HA LEU 47 HA LEU 47 20.357 6.088 -7.736 368 HB2 LEU 47 HB2 LEU 47 21.846 7.854 -9.339 369 HB3 LEU 47 HB3 LEU 47 20.995 6.779 -10.446 370 HG LEU 47 HG LEU 47 19.655 8.383 -8.272 371 HD11 LEU 47 HD11 LEU 47 20.674 9.215 -10.816 372 HD12 LEU 47 HD12 LEU 47 19.842 10.160 -9.582 373 HD13 LEU 47 HD13 LEU 47 18.913 9.308 -10.815 374 HD21 LEU 47 HD21 LEU 47 18.674 6.184 -9.342 375 HD22 LEU 47 HD22 LEU 47 18.278 7.278 -10.668 376 HD23 LEU 47 HD23 LEU 47 17.654 7.593 -9.048 377 H GLN 48 H GLN 48 19.793 4.002 -7.850 378 HA GLN 48 HA GLN 48 20.844 2.400 -10.086 379 HB2 GLN 48 HB2 GLN 48 20.136 1.727 -7.273 380 HB3 GLN 48 HB3 GLN 48 19.851 0.503 -8.503 381 HG2 GLN 48 HG2 GLN 48 22.001 -0.017 -8.595 382 HG3 GLN 48 HG3 GLN 48 22.468 1.671 -8.797 383 HE21 GLN 48 HE21 GLN 48 20.754 0.228 -6.084 384 HE22 GLN 48 HE22 GLN 48 21.979 0.539 -4.906 385 H CYS 49 H CYS 49 19.306 0.676 -10.853 386 HA CYS 49 HA CYS 49 16.745 1.925 -11.410 387 HB2 CYS 49 HB2 CYS 49 18.389 0.576 -13.024 388 HB3 CYS 49 HB3 CYS 49 17.416 -0.779 -12.460 389 H ILE 50 H ILE 50 15.515 1.735 -9.571 390 HA ILE 50 HA ILE 50 15.162 -0.894 -8.362 391 HB ILE 50 HB ILE 50 14.182 1.846 -7.578 392 HG12 ILE 50 HG12 ILE 50 15.597 0.385 -5.552 393 HG13 ILE 50 HG13 ILE 50 16.539 0.371 -7.039 394 HG21 ILE 50 HG21 ILE 50 12.400 0.373 -7.015 395 HG22 ILE 50 HG22 ILE 50 13.517 -0.831 -6.374 396 HG23 ILE 50 HG23 ILE 50 13.293 0.701 -5.530 397 HD11 ILE 50 HD11 ILE 50 17.298 2.356 -6.408 398 HD12 ILE 50 HD12 ILE 50 15.704 2.989 -6.822 399 HD13 ILE 50 HD13 ILE 50 16.062 2.518 -5.160 400 H CYS 51 H CYS 51 13.659 -2.220 -9.110 401 HA CYS 51 HA CYS 51 11.391 -1.139 -10.606 402 HB2 CYS 51 HB2 CYS 51 12.390 -3.976 -10.281 403 HB3 CYS 51 HB3 CYS 51 11.006 -3.506 -11.263 404 H ASP 52 H ASP 52 9.284 -2.416 -10.295 405 HA ASP 52 HA ASP 52 8.795 -2.702 -7.403 406 HB2 ASP 52 HB2 ASP 52 7.618 -0.913 -9.151 407 HB3 ASP 52 HB3 ASP 52 6.431 -2.211 -9.051 408 H TYR 53 H TYR 53 8.286 -4.675 -6.746 409 HA TYR 53 HA TYR 53 7.060 -6.529 -8.682 410 HB2 TYR 53 HB2 TYR 53 9.332 -6.863 -6.821 411 HB3 TYR 53 HB3 TYR 53 8.198 -8.207 -6.885 412 HD1 TYR 53 HD1 TYR 53 10.617 -6.220 -8.814 413 HD2 TYR 53 HD2 TYR 53 8.030 -9.597 -8.842 414 HE1 TYR 53 HE1 TYR 53 11.706 -7.029 -10.866 415 HE2 TYR 53 HE2 TYR 53 9.112 -10.417 -10.893 416 HH TYR 53 HH TYR 53 11.965 -9.539 -11.944 417 H CYS 54 H CYS 54 4.979 -6.734 -8.183 418 HA CYS 54 HA CYS 54 4.193 -7.766 -5.635 419 HB2 CYS 54 HB2 CYS 54 3.932 -4.891 -6.173 420 HB3 CYS 54 HB3 CYS 54 2.432 -5.660 -5.666 421 H GLU 55 H GLU 55 2.519 -5.766 -8.064 422 HA GLU 55 HA GLU 55 0.996 -8.145 -8.875 423 HB2 GLU 55 HB2 GLU 55 -0.068 -5.483 -7.983 424 HB3 GLU 55 HB3 GLU 55 -0.983 -6.478 -9.106 425 HG2 GLU 55 HG2 GLU 55 -0.526 -8.325 -7.267 426 HG3 GLU 55 HG3 GLU 55 -0.399 -6.903 -6.233 427 H TYR 56 H TYR 56 -0.535 -7.265 -10.831 428 HA TYR 56 HA TYR 56 1.390 -6.284 -12.805 429 HB2 TYR 56 HB2 TYR 56 -1.295 -7.630 -13.167 430 HB3 TYR 56 HB3 TYR 56 -0.226 -7.140 -14.477 431 HD1 TYR 56 HD1 TYR 56 -0.422 -9.353 -11.497 432 HD2 TYR 56 HD2 TYR 56 1.471 -8.571 -15.226 433 HE1 TYR 56 HE1 TYR 56 0.727 -11.524 -11.362 434 HE2 TYR 56 HE2 TYR 56 2.625 -10.740 -15.102 435 HH TYR 56 HH TYR 56 1.776 -13.179 -13.377 Start of MODEL 15 1 H1 GLN 1 H GLN 1 1.179 -1.430 1.009 2 HA GLN 1 HA GLN 1 1.309 -0.194 -1.247 3 HB2 GLN 1 HB2 GLN 1 1.114 0.924 1.469 4 HB3 GLN 1 HB3 GLN 1 1.534 2.094 0.224 5 HG2 GLN 1 HG2 GLN 1 -0.599 2.239 -0.322 6 HG3 GLN 1 HG3 GLN 1 -0.573 0.545 -0.808 7 HE21 GLN 1 HE21 GLN 1 -2.446 -0.220 -0.077 8 HE22 GLN 1 HE22 GLN 1 -2.985 -0.139 1.563 9 H ASP 2 H ASP 2 3.110 -0.318 -2.505 10 HA ASP 2 HA ASP 2 5.147 0.212 -3.370 11 HB2 ASP 2 HB2 ASP 2 4.952 2.651 -1.593 12 HB3 ASP 2 HB3 ASP 2 5.936 2.478 -3.043 13 H LYS 3 H LYS 3 4.987 -1.336 -0.862 14 HA LYS 3 HA LYS 3 7.498 -0.606 0.459 15 HB2 LYS 3 HB2 LYS 3 6.857 -2.240 2.169 16 HB3 LYS 3 HB3 LYS 3 5.586 -1.051 1.917 17 HG2 LYS 3 HG2 LYS 3 4.129 -2.574 1.110 18 HG3 LYS 3 HG3 LYS 3 5.390 -3.528 0.326 19 HD2 LYS 3 HD2 LYS 3 5.720 -3.618 3.177 20 HD3 LYS 3 HD3 LYS 3 4.070 -4.075 2.747 21 HE2 LYS 3 HE2 LYS 3 4.897 -5.763 1.226 22 HE3 LYS 3 HE3 LYS 3 6.560 -5.256 1.520 23 HZ1 LYS 3 HZ1 LYS 3 5.376 -7.256 2.814 24 HZ2 LYS 3 HZ2 LYS 3 5.033 -5.986 3.877 25 HZ3 LYS 3 HZ3 LYS 3 6.637 -6.340 3.472 26 H CYS 4 H CYS 4 6.768 -2.206 -2.200 27 HA CYS 4 HA CYS 4 8.839 -4.254 -1.757 28 HB2 CYS 4 HB2 CYS 4 7.560 -5.536 -3.610 29 HB3 CYS 4 HB3 CYS 4 6.915 -5.561 -1.972 30 H LYS 5 H LYS 5 10.432 -4.380 -3.248 31 HA LYS 5 HA LYS 5 10.209 -3.395 -5.904 32 HB2 LYS 5 HB2 LYS 5 11.885 -1.555 -5.670 33 HB3 LYS 5 HB3 LYS 5 10.338 -1.217 -4.905 34 HG2 LYS 5 HG2 LYS 5 11.856 -0.482 -3.332 35 HG3 LYS 5 HG3 LYS 5 11.468 -2.106 -2.760 36 HD2 LYS 5 HD2 LYS 5 13.592 -2.746 -2.959 37 HD3 LYS 5 HD3 LYS 5 13.654 -2.189 -4.633 38 HE2 LYS 5 HE2 LYS 5 15.321 -0.988 -3.448 39 HE3 LYS 5 HE3 LYS 5 13.993 0.135 -3.733 40 HZ1 LYS 5 HZ1 LYS 5 15.023 0.082 -1.422 41 HZ2 LYS 5 HZ2 LYS 5 14.206 -1.383 -1.207 42 HZ3 LYS 5 HZ3 LYS 5 13.335 0.034 -1.517 43 H LYS 6 H LYS 6 12.514 -3.233 -6.909 44 HA LYS 6 HA LYS 6 14.439 -4.994 -5.617 45 HB2 LYS 6 HB2 LYS 6 13.075 -5.630 -8.231 46 HB3 LYS 6 HB3 LYS 6 14.613 -6.345 -7.767 47 HG2 LYS 6 HG2 LYS 6 13.479 -7.188 -5.691 48 HG3 LYS 6 HG3 LYS 6 11.953 -6.659 -6.403 49 HD2 LYS 6 HD2 LYS 6 11.955 -8.808 -7.152 50 HD3 LYS 6 HD3 LYS 6 12.884 -8.072 -8.460 51 HE2 LYS 6 HE2 LYS 6 14.585 -8.813 -6.245 52 HE3 LYS 6 HE3 LYS 6 13.660 -10.194 -6.829 53 HZ1 LYS 6 HZ1 LYS 6 15.665 -8.574 -8.235 54 HZ2 LYS 6 HZ2 LYS 6 14.442 -9.321 -9.134 55 HZ3 LYS 6 HZ3 LYS 6 15.486 -10.255 -8.186 56 H VAL 7 H VAL 7 16.256 -3.858 -5.711 57 HA VAL 7 HA VAL 7 16.741 -1.820 -7.634 58 HB VAL 7 HB VAL 7 18.614 -3.143 -5.668 59 HG11 VAL 7 HG11 VAL 7 19.771 -0.783 -6.126 60 HG12 VAL 7 HG12 VAL 7 20.165 -2.231 -7.054 61 HG13 VAL 7 HG13 VAL 7 19.041 -1.040 -7.710 62 HG21 VAL 7 HG21 VAL 7 17.812 -0.355 -5.276 63 HG22 VAL 7 HG22 VAL 7 16.486 -1.512 -5.156 64 HG23 VAL 7 HG23 VAL 7 17.902 -1.684 -4.119 65 H TYR 8 H TYR 8 18.027 -1.796 -9.428 66 HA TYR 8 HA TYR 8 19.021 -4.414 -10.344 67 HB2 TYR 8 HB2 TYR 8 17.109 -3.246 -11.615 68 HB3 TYR 8 HB3 TYR 8 18.341 -2.116 -12.165 69 HD1 TYR 8 HD2 TYR 8 18.661 -5.786 -11.664 70 HD2 TYR 8 HD1 TYR 8 18.492 -2.580 -14.456 71 HE1 TYR 8 HE2 TYR 8 19.269 -7.337 -13.473 72 HE2 TYR 8 HE1 TYR 8 19.098 -4.122 -16.273 73 HH TYR 8 HH TYR 8 19.741 -6.189 -16.797 74 H GLU 9 H GLU 9 21.055 -4.096 -9.331 75 HA GLU 9 HA GLU 9 22.693 -1.840 -9.780 76 HB2 GLU 9 HB2 GLU 9 23.632 -4.641 -9.156 77 HB3 GLU 9 HB3 GLU 9 24.477 -3.135 -8.824 78 HG2 GLU 9 HG2 GLU 9 22.727 -2.514 -7.227 79 HG3 GLU 9 HG3 GLU 9 21.908 -4.042 -7.545 80 H ASN 10 H ASN 10 21.760 -4.339 -11.836 81 HA ASN 10 HA ASN 10 24.170 -4.258 -13.466 82 HB2 ASN 10 HB2 ASN 10 21.649 -5.884 -13.502 83 HB3 ASN 10 HB3 ASN 10 22.663 -5.809 -14.940 84 HD21 ASN 10 HD21 ASN 10 23.186 -6.121 -11.440 85 HD22 ASN 10 HD22 ASN 10 24.261 -7.468 -11.552 86 H TYR 11 H TYR 11 23.010 -1.775 -13.291 87 HA TYR 11 HA TYR 11 22.325 -1.298 -16.075 88 HB2 TYR 11 HB2 TYR 11 20.268 -1.497 -14.259 89 HB3 TYR 11 HB3 TYR 11 20.580 0.235 -14.285 90 HD1 TYR 11 HD2 TYR 11 20.255 -2.577 -16.735 91 HD2 TYR 11 HD1 TYR 11 19.357 1.473 -15.790 92 HE1 TYR 11 HE2 TYR 11 18.966 -2.382 -18.820 93 HE2 TYR 11 HE1 TYR 11 18.064 1.679 -17.872 94 HH TYR 11 HH TYR 11 18.239 -0.559 -20.372 95 HA PRO 12 HA PRO 12 24.970 2.157 -15.391 96 HB2 PRO 12 HB2 PRO 12 24.278 3.642 -17.556 97 HB3 PRO 12 HB3 PRO 12 25.268 2.182 -17.669 98 HG2 PRO 12 HG2 PRO 12 22.338 2.529 -18.180 99 HG3 PRO 12 HG3 PRO 12 23.535 1.610 -19.112 100 HD2 PRO 12 HD2 PRO 12 21.825 0.432 -17.374 101 HD3 PRO 12 HD3 PRO 12 23.462 -0.188 -17.671 102 H VAL 13 H VAL 13 24.686 3.705 -13.925 103 HA VAL 13 HA VAL 13 22.210 4.761 -13.160 104 HB VAL 13 HB VAL 13 23.401 6.286 -11.760 105 HG11 VAL 13 HG11 VAL 13 25.258 3.938 -11.877 106 HG12 VAL 13 HG12 VAL 13 24.634 4.797 -10.467 107 HG13 VAL 13 HG13 VAL 13 23.574 3.736 -11.395 108 HG21 VAL 13 HG21 VAL 13 25.694 5.797 -13.638 109 HG22 VAL 13 HG22 VAL 13 24.943 7.329 -13.191 110 HG23 VAL 13 HG23 VAL 13 25.935 6.460 -12.021 111 H SER 14 H SER 14 24.267 5.587 -15.764 112 HA SER 14 HA SER 14 23.613 8.317 -16.069 113 HB2 SER 14 HB2 SER 14 25.147 6.365 -17.476 114 HB3 SER 14 HB3 SER 14 24.068 7.147 -18.631 115 HG SER 14 HG SER 14 24.978 9.080 -18.196 116 H LYS 15 H LYS 15 22.301 5.414 -17.662 117 HA LYS 15 HA LYS 15 20.334 6.718 -19.170 118 HB2 LYS 15 HB2 LYS 15 20.963 3.964 -18.400 119 HB3 LYS 15 HB3 LYS 15 19.243 4.245 -18.634 120 HG2 LYS 15 HG2 LYS 15 19.968 5.349 -20.857 121 HG3 LYS 15 HG3 LYS 15 21.477 4.469 -20.605 122 HD2 LYS 15 HD2 LYS 15 19.362 2.659 -20.116 123 HD3 LYS 15 HD3 LYS 15 18.982 3.510 -21.615 124 HE2 LYS 15 HE2 LYS 15 21.557 3.003 -22.076 125 HE3 LYS 15 HE3 LYS 15 21.216 1.664 -20.981 126 HZ1 LYS 15 HZ1 LYS 15 20.733 0.789 -23.046 127 HZ2 LYS 15 HZ2 LYS 15 20.059 2.225 -23.632 128 HZ3 LYS 15 HZ3 LYS 15 19.204 1.284 -22.516 129 H CYS 16 H CYS 16 20.508 6.051 -15.814 130 HA CYS 16 HA CYS 16 17.688 6.072 -15.299 131 HB2 CYS 16 HB2 CYS 16 20.173 5.986 -13.681 132 HB3 CYS 16 HB3 CYS 16 18.749 6.657 -12.893 133 H GLN 17 H GLN 17 20.313 8.415 -14.733 134 HA GLN 17 HA GLN 17 18.647 10.491 -13.816 135 HB2 GLN 17 HB2 GLN 17 21.385 10.580 -15.090 136 HB3 GLN 17 HB3 GLN 17 20.598 11.967 -14.348 137 HG2 GLN 17 HG2 GLN 17 21.451 11.377 -12.401 138 HG3 GLN 17 HG3 GLN 17 20.504 9.891 -12.458 139 HE21 GLN 17 HE21 GLN 17 22.099 8.724 -11.394 140 HE22 GLN 17 HE22 GLN 17 23.574 8.264 -12.167 141 H LEU 18 H LEU 18 19.103 9.207 -16.920 142 HA LEU 18 HA LEU 18 18.695 11.535 -18.485 143 HB2 LEU 18 HB2 LEU 18 18.728 8.625 -18.918 144 HB3 LEU 18 HB3 LEU 18 17.740 9.542 -20.053 145 HG LEU 18 HG LEU 18 20.603 10.280 -19.535 146 HD11 LEU 18 HD11 LEU 18 19.621 7.876 -20.807 147 HD12 LEU 18 HD12 LEU 18 21.273 8.353 -20.416 148 HD13 LEU 18 HD13 LEU 18 20.538 8.882 -21.930 149 HD21 LEU 18 HD21 LEU 18 19.050 10.566 -22.080 150 HD22 LEU 18 HD22 LEU 18 20.451 11.479 -21.519 151 HD23 LEU 18 HD23 LEU 18 18.872 11.739 -20.775 152 H ARG 19 H ARG 19 16.958 12.635 -17.495 153 HA ARG 19 HA ARG 19 14.410 11.500 -17.064 154 HB2 ARG 19 HB2 ARG 19 15.516 14.264 -17.192 155 HB3 ARG 19 HB3 ARG 19 13.772 14.072 -17.310 156 HG2 ARG 19 HG2 ARG 19 15.231 12.702 -15.105 157 HG3 ARG 19 HG3 ARG 19 14.925 14.437 -14.996 158 HD2 ARG 19 HD2 ARG 19 12.760 12.436 -15.594 159 HD3 ARG 19 HD3 ARG 19 13.192 12.907 -13.951 160 HE ARG 19 HE ARG 19 12.680 15.187 -15.558 161 HH11 ARG 19 HH11 ARG 19 11.096 12.588 -13.869 162 HH12 ARG 19 HH12 ARG 19 9.630 13.474 -13.612 163 HH21 ARG 19 HH21 ARG 19 10.754 16.364 -15.227 164 HH22 ARG 19 HH22 ARG 19 9.436 15.621 -14.387 165 H ILE 20 H ILE 20 15.986 12.698 -19.891 166 HA ILE 20 HA ILE 20 13.583 13.134 -21.410 167 HB ILE 20 HB ILE 20 16.352 12.761 -22.538 168 HG12 ILE 20 HG12 ILE 20 15.100 15.287 -21.438 169 HG13 ILE 20 HG13 ILE 20 16.468 14.425 -20.743 170 HG21 ILE 20 HG21 ILE 20 14.027 14.409 -23.518 171 HG22 ILE 20 HG22 ILE 20 15.551 14.114 -24.355 172 HG23 ILE 20 HG23 ILE 20 14.417 12.788 -24.093 173 HD11 ILE 20 HD11 ILE 20 17.137 16.421 -21.997 174 HD12 ILE 20 HD12 ILE 20 17.815 14.942 -22.678 175 HD13 ILE 20 HD13 ILE 20 16.439 15.722 -23.458 176 H ALA 21 H ALA 21 15.782 10.491 -20.842 177 HA ALA 21 HA ALA 21 13.993 8.719 -22.316 178 HB1 ALA 21 HB1 ALA 21 16.911 8.334 -22.778 179 HB2 ALA 21 HB2 ALA 21 15.537 7.867 -23.782 180 HB3 ALA 21 HB3 ALA 21 16.049 9.553 -23.717 181 H ASN 22 H ASN 22 13.448 8.095 -20.137 182 HA ASN 22 HA ASN 22 15.491 6.824 -18.523 183 HB2 ASN 22 HB2 ASN 22 13.314 8.176 -17.792 184 HB3 ASN 22 HB3 ASN 22 12.596 6.570 -17.861 185 HD21 ASN 22 HD21 ASN 22 12.275 6.396 -15.679 186 HD22 ASN 22 HD22 ASN 22 13.568 6.232 -14.545 187 H GLN 23 H GLN 23 16.137 5.093 -19.848 188 HA GLN 23 HA GLN 23 14.264 3.166 -20.828 189 HB2 GLN 23 HB2 GLN 23 17.058 3.712 -21.120 190 HB3 GLN 23 HB3 GLN 23 16.856 2.023 -20.677 191 HG2 GLN 23 HG2 GLN 23 15.210 3.215 -22.865 192 HG3 GLN 23 HG3 GLN 23 16.867 2.696 -23.169 193 HE21 GLN 23 HE21 GLN 23 13.830 1.755 -23.542 194 HE22 GLN 23 HE22 GLN 23 13.993 0.043 -23.386 195 H CYS 24 H CYS 24 15.337 3.822 -17.776 196 HA CYS 24 HA CYS 24 15.829 1.246 -16.721 197 HB2 CYS 24 HB2 CYS 24 16.568 3.021 -15.379 198 HB3 CYS 24 HB3 CYS 24 15.038 3.881 -15.512 199 H ASN 25 H ASN 25 12.945 3.303 -16.275 200 HA ASN 25 HA ASN 25 11.304 1.376 -15.153 201 HB2 ASN 25 HB2 ASN 25 9.475 2.820 -15.615 202 HB3 ASN 25 HB3 ASN 25 10.866 3.872 -15.367 203 HD21 ASN 25 HD21 ASN 25 11.446 5.238 -16.936 204 HD22 ASN 25 HD22 ASN 25 10.721 5.308 -18.503 205 H TYR 26 H TYR 26 11.931 2.083 -18.548 206 HA TYR 26 HA TYR 26 9.945 0.315 -19.570 207 HB2 TYR 26 HB2 TYR 26 11.508 2.287 -20.653 208 HB3 TYR 26 HB3 TYR 26 12.267 0.835 -21.296 209 HD1 TYR 26 HD2 TYR 26 8.856 2.300 -20.846 210 HD2 TYR 26 HD1 TYR 26 11.464 -0.012 -23.287 211 HE1 TYR 26 HE2 TYR 26 7.107 2.156 -22.568 212 HE2 TYR 26 HE1 TYR 26 9.722 -0.161 -25.017 213 HH TYR 26 HH TYR 26 7.428 1.640 -25.477 214 H ASP 27 H ASP 27 13.353 0.008 -18.770 215 HA ASP 27 HA ASP 27 13.745 -2.536 -19.963 216 HB2 ASP 27 HB2 ASP 27 15.720 -1.350 -19.534 217 HB3 ASP 27 HB3 ASP 27 15.230 -0.944 -17.892 218 H CYS 28 H CYS 28 12.885 -1.498 -16.690 219 HA CYS 28 HA CYS 28 13.005 -3.929 -15.373 220 HB2 CYS 28 HB2 CYS 28 11.302 -1.486 -15.006 221 HB3 CYS 28 HB3 CYS 28 11.035 -2.906 -14.000 222 H LYS 29 H LYS 29 10.079 -2.470 -16.805 223 HA LYS 29 HA LYS 29 8.466 -4.754 -16.501 224 HB2 LYS 29 HB2 LYS 29 8.160 -2.597 -18.595 225 HB3 LYS 29 HB3 LYS 29 6.899 -3.653 -17.971 226 HG2 LYS 29 HG2 LYS 29 6.761 -2.523 -15.963 227 HG3 LYS 29 HG3 LYS 29 8.383 -1.843 -16.116 228 HD2 LYS 29 HD2 LYS 29 6.977 -0.027 -16.535 229 HD3 LYS 29 HD3 LYS 29 7.438 -0.580 -18.147 230 HE2 LYS 29 HE2 LYS 29 5.284 -0.776 -18.649 231 HE3 LYS 29 HE3 LYS 29 5.148 -2.044 -17.432 232 HZ1 LYS 29 HZ1 LYS 29 4.103 -0.682 -16.019 233 HZ2 LYS 29 HZ2 LYS 29 3.787 0.269 -17.382 234 HZ3 LYS 29 HZ3 LYS 29 5.094 0.643 -16.375 235 H LEU 30 H LEU 30 10.739 -3.804 -18.966 236 HA LEU 30 HA LEU 30 9.945 -5.379 -21.101 237 HB2 LEU 30 HB2 LEU 30 12.205 -3.868 -20.385 238 HB3 LEU 30 HB3 LEU 30 12.800 -5.465 -20.835 239 HG LEU 30 HG LEU 30 10.969 -4.707 -22.835 240 HD11 LEU 30 HD11 LEU 30 12.594 -2.443 -21.802 241 HD12 LEU 30 HD12 LEU 30 10.985 -2.447 -22.523 242 HD13 LEU 30 HD13 LEU 30 12.410 -2.617 -23.547 243 HD21 LEU 30 HD21 LEU 30 12.923 -6.114 -23.148 244 HD22 LEU 30 HD22 LEU 30 13.985 -4.749 -22.803 245 HD23 LEU 30 HD23 LEU 30 12.974 -4.738 -24.249 246 H ASP 31 H ASP 31 12.213 -6.251 -18.494 247 HA ASP 31 HA ASP 31 11.812 -9.080 -19.203 248 HB2 ASP 31 HB2 ASP 31 14.148 -7.531 -18.368 249 HB3 ASP 31 HB3 ASP 31 13.938 -9.013 -17.439 250 H LYS 32 H LYS 32 12.703 -7.308 -16.240 251 HA LYS 32 HA LYS 32 11.760 -9.112 -14.398 252 HB2 LYS 32 HB2 LYS 32 11.561 -6.115 -14.081 253 HB3 LYS 32 HB3 LYS 32 11.708 -7.310 -12.800 254 HG2 LYS 32 HG2 LYS 32 13.928 -7.834 -14.276 255 HG3 LYS 32 HG3 LYS 32 13.765 -6.089 -14.486 256 HD2 LYS 32 HD2 LYS 32 13.569 -5.894 -11.997 257 HD3 LYS 32 HD3 LYS 32 13.959 -7.613 -11.890 258 HE2 LYS 32 HE2 LYS 32 16.110 -7.246 -12.885 259 HE3 LYS 32 HE3 LYS 32 15.714 -5.564 -13.237 260 HZ1 LYS 32 HZ1 LYS 32 15.409 -6.170 -10.467 261 HZ2 LYS 32 HZ2 LYS 32 16.323 -4.954 -11.205 262 HZ3 LYS 32 HZ3 LYS 32 16.980 -6.500 -11.000 263 H HIS 33 H HIS 33 9.946 -6.841 -16.327 264 HA HIS 33 HA HIS 33 7.715 -6.580 -16.686 265 HB2 HIS 33 HB2 HIS 33 7.963 -9.202 -16.571 266 HB3 HIS 33 HB3 HIS 33 7.074 -9.010 -15.063 267 HD1 HIS 33 HD1 HIS 33 6.650 -9.078 -18.715 268 HD2 HIS 33 HD2 HIS 33 4.430 -7.925 -15.398 269 HE1 HIS 33 HE1 HIS 33 4.284 -8.852 -19.535 270 H ALA 34 H ALA 34 8.970 -5.397 -14.381 271 HA ALA 34 HA ALA 34 7.463 -5.610 -12.035 272 HB1 ALA 34 HB1 ALA 34 9.637 -4.480 -12.163 273 HB2 ALA 34 HB2 ALA 34 8.896 -3.173 -13.087 274 HB3 ALA 34 HB3 ALA 34 8.408 -3.459 -11.417 275 H ARG 35 H ARG 35 6.486 -3.192 -11.326 276 HA ARG 35 HA ARG 35 3.987 -3.121 -12.762 277 HB2 ARG 35 HB2 ARG 35 4.827 -1.296 -10.513 278 HB3 ARG 35 HB3 ARG 35 3.194 -1.718 -11.008 279 HG2 ARG 35 HG2 ARG 35 3.488 -3.975 -10.214 280 HG3 ARG 35 HG3 ARG 35 5.179 -3.649 -9.827 281 HD2 ARG 35 HD2 ARG 35 3.956 -3.519 -7.792 282 HD3 ARG 35 HD3 ARG 35 4.375 -1.869 -8.253 283 HE ARG 35 HE ARG 35 1.719 -3.059 -8.227 284 HH11 ARG 35 HH11 ARG 35 3.747 -0.361 -9.079 285 HH12 ARG 35 HH12 ARG 35 2.428 0.754 -9.219 286 HH21 ARG 35 HH21 ARG 35 -0.026 -1.601 -8.408 287 HH22 ARG 35 HH22 ARG 35 0.283 0.048 -8.836 288 H SER 36 H SER 36 6.418 -0.655 -11.897 289 HA SER 36 HA SER 36 5.791 0.723 -14.417 290 HB2 SER 36 HB2 SER 36 5.552 2.811 -13.408 291 HB3 SER 36 HB3 SER 36 4.752 1.748 -12.250 292 HG SER 36 HG SER 36 6.393 1.977 -10.874 293 H GLY 37 H GLY 37 8.050 0.588 -11.665 294 HA2 GLY 37 HA2 GLY 37 10.363 0.339 -11.744 295 HA3 GLY 37 HA3 GLY 37 10.290 0.451 -13.496 296 H GLU 38 H GLU 38 11.784 1.847 -11.126 297 HA GLU 38 HA GLU 38 11.957 4.397 -12.465 298 HB2 GLU 38 HB2 GLU 38 10.716 4.105 -9.755 299 HB3 GLU 38 HB3 GLU 38 11.653 5.544 -10.129 300 HG2 GLU 38 HG2 GLU 38 9.766 6.390 -10.930 301 HG3 GLU 38 HG3 GLU 38 9.994 5.310 -12.304 302 H CYS 39 H CYS 39 13.650 5.799 -11.437 303 HA CYS 39 HA CYS 39 15.788 4.092 -10.353 304 HB2 CYS 39 HB2 CYS 39 15.964 6.685 -11.903 305 HB3 CYS 39 HB3 CYS 39 17.345 5.806 -11.255 306 H PHE 40 H PHE 40 16.841 4.638 -8.503 307 HA PHE 40 HA PHE 40 16.396 7.223 -7.263 308 HB2 PHE 40 HB2 PHE 40 15.531 4.658 -5.911 309 HB3 PHE 40 HB3 PHE 40 15.587 6.242 -5.144 310 HD1 PHE 40 HD2 PHE 40 14.096 8.068 -6.045 311 HD2 PHE 40 HD1 PHE 40 13.665 3.978 -7.141 312 HE1 PHE 40 HE2 PHE 40 11.799 8.518 -6.803 313 HE2 PHE 40 HE1 PHE 40 11.368 4.421 -7.902 314 HZ PHE 40 HZ PHE 40 10.432 6.693 -7.733 315 H TYR 41 H TYR 41 17.787 7.601 -5.426 316 HA TYR 41 HA TYR 41 20.355 6.359 -5.769 317 HB2 TYR 41 HB2 TYR 41 19.340 8.519 -3.923 318 HB3 TYR 41 HB3 TYR 41 20.997 7.929 -3.873 319 HD1 TYR 41 HD2 TYR 41 22.444 8.197 -5.917 320 HD2 TYR 41 HD1 TYR 41 18.655 10.096 -5.543 321 HE1 TYR 41 HE2 TYR 41 23.062 9.767 -7.706 322 HE2 TYR 41 HE1 TYR 41 19.262 11.671 -7.332 323 HH TYR 41 HH TYR 41 21.120 12.541 -8.468 324 H ASP 42 H ASP 42 21.586 5.350 -4.092 325 HA ASP 42 HA ASP 42 19.894 3.831 -2.230 326 HB2 ASP 42 HB2 ASP 42 21.290 2.031 -2.481 327 HB3 ASP 42 HB3 ASP 42 21.551 2.803 -4.043 328 H GLU 43 H GLU 43 21.724 2.941 -0.427 329 HA GLU 43 HA GLU 43 21.868 4.980 1.442 330 HB2 GLU 43 HB2 GLU 43 23.605 2.513 1.245 331 HB3 GLU 43 HB3 GLU 43 23.439 3.521 2.675 332 HG2 GLU 43 HG2 GLU 43 20.833 2.834 1.912 333 HG3 GLU 43 HG3 GLU 43 21.792 1.361 1.771 334 H LYS 44 H LYS 44 24.364 3.829 -0.794 335 HA LYS 44 HA LYS 44 26.259 5.817 0.118 336 HB2 LYS 44 HB2 LYS 44 26.300 3.577 -1.857 337 HB3 LYS 44 HB3 LYS 44 27.497 4.856 -2.010 338 HG2 LYS 44 HG2 LYS 44 27.150 3.672 0.676 339 HG3 LYS 44 HG3 LYS 44 27.894 2.656 -0.560 340 HD2 LYS 44 HD2 LYS 44 29.524 4.463 -1.007 341 HD3 LYS 44 HD3 LYS 44 28.810 5.398 0.309 342 HE2 LYS 44 HE2 LYS 44 29.368 2.825 1.326 343 HE3 LYS 44 HE3 LYS 44 30.792 3.340 0.424 344 HZ1 LYS 44 HZ1 LYS 44 30.040 4.117 2.974 345 HZ2 LYS 44 HZ2 LYS 44 29.819 5.477 1.993 346 HZ3 LYS 44 HZ3 LYS 44 31.329 4.715 2.056 347 H ARG 45 H ARG 45 23.592 6.362 -1.365 348 HA ARG 45 HA ARG 45 22.804 7.988 -2.748 349 HB2 ARG 45 HB2 ARG 45 25.656 8.975 -2.891 350 HB3 ARG 45 HB3 ARG 45 24.198 9.891 -3.249 351 HG2 ARG 45 HG2 ARG 45 24.253 8.754 -0.557 352 HG3 ARG 45 HG3 ARG 45 25.536 9.922 -0.879 353 HD2 ARG 45 HD2 ARG 45 23.975 11.613 -1.447 354 HD3 ARG 45 HD3 ARG 45 22.644 10.459 -1.509 355 HE ARG 45 HE ARG 45 22.400 10.697 0.747 356 HH11 ARG 45 HH11 ARG 45 25.569 11.817 -0.158 357 HH12 ARG 45 HH12 ARG 45 25.952 12.414 1.422 358 HH21 ARG 45 HH21 ARG 45 22.892 11.479 2.832 359 HH22 ARG 45 HH22 ARG 45 24.429 12.221 3.123 360 H ASN 46 H ASN 46 23.421 5.519 -3.865 361 HA ASN 46 HA ASN 46 24.568 6.200 -6.486 362 HB2 ASN 46 HB2 ASN 46 23.993 3.387 -5.621 363 HB3 ASN 46 HB3 ASN 46 25.208 3.977 -6.752 364 HD21 ASN 46 HD21 ASN 46 26.352 5.982 -5.220 365 HD22 ASN 46 HD22 ASN 46 27.178 5.263 -3.884 366 H LEU 47 H LEU 47 23.069 6.760 -7.919 367 HA LEU 47 HA LEU 47 20.330 6.029 -7.701 368 HB2 LEU 47 HB2 LEU 47 21.877 7.851 -9.198 369 HB3 LEU 47 HB3 LEU 47 21.006 6.851 -10.358 370 HG LEU 47 HG LEU 47 19.718 8.412 -8.120 371 HD11 LEU 47 HD11 LEU 47 19.296 10.132 -9.558 372 HD12 LEU 47 HD12 LEU 47 19.390 9.109 -10.990 373 HD13 LEU 47 HD13 LEU 47 20.867 9.612 -10.168 374 HD21 LEU 47 HD21 LEU 47 18.250 7.400 -10.494 375 HD22 LEU 47 HD22 LEU 47 17.697 7.644 -8.837 376 HD23 LEU 47 HD23 LEU 47 18.688 6.241 -9.239 377 H GLN 48 H GLN 48 19.727 3.971 -7.954 378 HA GLN 48 HA GLN 48 20.769 2.505 -10.288 379 HB2 GLN 48 HB2 GLN 48 19.847 1.413 -7.625 380 HB3 GLN 48 HB3 GLN 48 20.301 0.428 -9.009 381 HG2 GLN 48 HG2 GLN 48 22.536 0.919 -8.803 382 HG3 GLN 48 HG3 GLN 48 22.233 2.428 -7.943 383 HE21 GLN 48 HE21 GLN 48 20.678 1.740 -5.894 384 HE22 GLN 48 HE22 GLN 48 21.468 0.602 -4.862 385 H CYS 49 H CYS 49 19.294 1.028 -11.329 386 HA CYS 49 HA CYS 49 16.671 2.160 -11.604 387 HB2 CYS 49 HB2 CYS 49 17.903 1.298 -13.549 388 HB3 CYS 49 HB3 CYS 49 17.870 -0.320 -12.856 389 H ILE 50 H ILE 50 15.592 1.831 -9.667 390 HA ILE 50 HA ILE 50 15.312 -0.866 -8.623 391 HB ILE 50 HB ILE 50 14.236 1.787 -7.674 392 HG12 ILE 50 HG12 ILE 50 15.800 0.446 -5.732 393 HG13 ILE 50 HG13 ILE 50 16.677 0.333 -7.254 394 HG21 ILE 50 HG21 ILE 50 12.583 0.162 -7.107 395 HG22 ILE 50 HG22 ILE 50 13.810 -0.972 -6.547 396 HG23 ILE 50 HG23 ILE 50 13.508 0.514 -5.648 397 HD11 ILE 50 HD11 ILE 50 15.725 2.986 -6.998 398 HD12 ILE 50 HD12 ILE 50 16.489 2.525 -5.476 399 HD13 ILE 50 HD13 ILE 50 17.390 2.403 -6.987 400 H CYS 51 H CYS 51 13.690 -2.196 -9.086 401 HA CYS 51 HA CYS 51 11.420 -1.147 -10.620 402 HB2 CYS 51 HB2 CYS 51 12.143 -4.050 -10.223 403 HB3 CYS 51 HB3 CYS 51 11.092 -3.356 -11.453 404 H ASP 52 H ASP 52 9.292 -2.239 -10.215 405 HA ASP 52 HA ASP 52 8.892 -2.570 -7.315 406 HB2 ASP 52 HB2 ASP 52 6.399 -2.028 -8.318 407 HB3 ASP 52 HB3 ASP 52 7.484 -0.835 -7.610 408 H TYR 53 H TYR 53 8.374 -4.543 -6.669 409 HA TYR 53 HA TYR 53 7.048 -6.348 -8.585 410 HB2 TYR 53 HB2 TYR 53 9.309 -6.742 -6.730 411 HB3 TYR 53 HB3 TYR 53 8.122 -8.041 -6.748 412 HD1 TYR 53 HD1 TYR 53 10.578 -6.188 -8.768 413 HD2 TYR 53 HD2 TYR 53 7.892 -9.486 -8.651 414 HE1 TYR 53 HE1 TYR 53 11.609 -7.092 -10.810 415 HE2 TYR 53 HE2 TYR 53 8.917 -10.400 -10.692 416 HH TYR 53 HH TYR 53 11.197 -10.207 -11.853 417 H CYS 54 H CYS 54 4.954 -6.437 -8.094 418 HA CYS 54 HA CYS 54 4.077 -7.517 -5.620 419 HB2 CYS 54 HB2 CYS 54 4.152 -4.607 -5.881 420 HB3 CYS 54 HB3 CYS 54 2.546 -5.217 -5.493 421 H GLU 55 H GLU 55 2.847 -5.308 -8.141 422 HA GLU 55 HA GLU 55 0.645 -7.211 -8.595 423 HB2 GLU 55 HB2 GLU 55 0.708 -4.286 -9.345 424 HB3 GLU 55 HB3 GLU 55 -0.677 -5.368 -9.404 425 HG2 GLU 55 HG2 GLU 55 -0.603 -5.574 -6.961 426 HG3 GLU 55 HG3 GLU 55 0.753 -4.448 -6.920 427 H TYR 56 H TYR 56 -0.255 -6.371 -11.026 428 HA TYR 56 HA TYR 56 1.905 -6.239 -12.928 429 HB2 TYR 56 HB2 TYR 56 1.436 -8.352 -14.037 430 HB3 TYR 56 HB3 TYR 56 1.873 -8.646 -12.357 431 HD1 TYR 56 HD2 TYR 56 -0.090 -8.930 -10.687 432 HD2 TYR 56 HD1 TYR 56 -0.511 -9.283 -14.906 433 HE1 TYR 56 HE2 TYR 56 -2.164 -10.213 -10.367 434 HE2 TYR 56 HE1 TYR 56 -2.587 -10.566 -14.598 435 HH TYR 56 HH TYR 56 -3.540 -12.077 -12.619 Start of MODEL 16 1 H1 GLN 1 H GLN 1 0.572 0.256 -1.621 2 HA GLN 1 HA GLN 1 1.620 -2.049 -1.553 3 HB2 GLN 1 HB2 GLN 1 0.429 -1.972 -4.324 4 HB3 GLN 1 HB3 GLN 1 1.678 -3.114 -3.847 5 HG2 GLN 1 HG2 GLN 1 -0.755 -2.954 -2.163 6 HG3 GLN 1 HG3 GLN 1 -0.898 -3.707 -3.751 7 HE21 GLN 1 HE21 GLN 1 -1.302 -5.723 -2.841 8 HE22 GLN 1 HE22 GLN 1 -0.056 -6.660 -2.095 9 H ASP 2 H ASP 2 2.618 0.429 -1.429 10 HA ASP 2 HA ASP 2 4.559 0.600 -3.637 11 HB2 ASP 2 HB2 ASP 2 2.906 2.573 -2.658 12 HB3 ASP 2 HB3 ASP 2 4.423 2.897 -1.823 13 H LYS 3 H LYS 3 4.675 -1.148 -1.252 14 HA LYS 3 HA LYS 3 7.083 -0.052 0.042 15 HB2 LYS 3 HB2 LYS 3 6.632 -1.574 1.895 16 HB3 LYS 3 HB3 LYS 3 5.241 -0.543 1.589 17 HG2 LYS 3 HG2 LYS 3 4.020 -2.300 0.613 18 HG3 LYS 3 HG3 LYS 3 5.454 -3.319 0.467 19 HD2 LYS 3 HD2 LYS 3 4.201 -4.160 2.300 20 HD3 LYS 3 HD3 LYS 3 5.584 -3.302 2.984 21 HE2 LYS 3 HE2 LYS 3 3.954 -1.280 3.063 22 HE3 LYS 3 HE3 LYS 3 2.699 -2.510 2.927 23 HZ1 LYS 3 HZ1 LYS 3 3.842 -3.610 4.881 24 HZ2 LYS 3 HZ2 LYS 3 3.001 -2.179 5.207 25 HZ3 LYS 3 HZ3 LYS 3 4.688 -2.159 5.088 26 H CYS 4 H CYS 4 6.384 -1.889 -2.468 27 HA CYS 4 HA CYS 4 8.519 -3.846 -1.918 28 HB2 CYS 4 HB2 CYS 4 6.631 -4.347 -4.153 29 HB3 CYS 4 HB3 CYS 4 7.379 -5.482 -3.033 30 H LYS 5 H LYS 5 10.183 -4.031 -3.347 31 HA LYS 5 HA LYS 5 10.136 -2.939 -5.976 32 HB2 LYS 5 HB2 LYS 5 11.892 -1.204 -5.581 33 HB3 LYS 5 HB3 LYS 5 10.328 -0.815 -4.877 34 HG2 LYS 5 HG2 LYS 5 11.795 -0.230 -3.199 35 HG3 LYS 5 HG3 LYS 5 11.305 -1.857 -2.722 36 HD2 LYS 5 HD2 LYS 5 13.404 -2.589 -2.850 37 HD3 LYS 5 HD3 LYS 5 13.574 -1.964 -4.492 38 HE2 LYS 5 HE2 LYS 5 14.275 0.159 -3.705 39 HE3 LYS 5 HE3 LYS 5 13.798 -0.219 -2.051 40 HZ1 LYS 5 HZ1 LYS 5 16.196 -0.358 -2.356 41 HZ2 LYS 5 HZ2 LYS 5 15.996 -1.541 -3.548 42 HZ3 LYS 5 HZ3 LYS 5 15.550 -1.869 -1.950 43 H LYS 6 H LYS 6 12.479 -2.877 -6.877 44 HA LYS 6 HA LYS 6 14.302 -4.709 -5.565 45 HB2 LYS 6 HB2 LYS 6 12.911 -5.378 -8.156 46 HB3 LYS 6 HB3 LYS 6 14.422 -6.135 -7.670 47 HG2 LYS 6 HG2 LYS 6 13.229 -6.824 -5.543 48 HG3 LYS 6 HG3 LYS 6 11.736 -6.331 -6.345 49 HD2 LYS 6 HD2 LYS 6 11.682 -8.434 -7.121 50 HD3 LYS 6 HD3 LYS 6 12.926 -7.893 -8.251 51 HE2 LYS 6 HE2 LYS 6 14.597 -8.527 -6.416 52 HE3 LYS 6 HE3 LYS 6 13.254 -9.391 -5.668 53 HZ1 LYS 6 HZ1 LYS 6 13.177 -10.221 -8.248 54 HZ2 LYS 6 HZ2 LYS 6 13.869 -11.077 -6.964 55 HZ3 LYS 6 HZ3 LYS 6 14.839 -10.104 -7.951 56 H VAL 7 H VAL 7 16.164 -3.654 -5.700 57 HA VAL 7 HA VAL 7 16.713 -1.721 -7.731 58 HB VAL 7 HB VAL 7 17.601 -1.597 -5.393 59 HG11 VAL 7 HG11 VAL 7 19.924 -3.261 -5.988 60 HG12 VAL 7 HG12 VAL 7 18.963 -3.140 -4.513 61 HG13 VAL 7 HG13 VAL 7 18.423 -4.174 -5.837 62 HG21 VAL 7 HG21 VAL 7 19.207 -0.223 -6.129 63 HG22 VAL 7 HG22 VAL 7 20.067 -1.521 -6.957 64 HG23 VAL 7 HG23 VAL 7 18.705 -0.724 -7.744 65 H TYR 8 H TYR 8 18.091 -1.831 -9.464 66 HA TYR 8 HA TYR 8 19.028 -4.529 -10.189 67 HB2 TYR 8 HB2 TYR 8 17.207 -3.435 -11.608 68 HB3 TYR 8 HB3 TYR 8 18.446 -2.303 -12.139 69 HD1 TYR 8 HD1 TYR 8 18.802 -5.949 -11.505 70 HD2 TYR 8 HD2 TYR 8 18.705 -2.837 -14.405 71 HE1 TYR 8 HE1 TYR 8 19.513 -7.547 -13.234 72 HE2 TYR 8 HE2 TYR 8 19.414 -4.427 -16.143 73 HH TYR 8 HH TYR 8 19.358 -6.861 -16.545 74 H GLU 9 H GLU 9 21.029 -4.196 -9.103 75 HA GLU 9 HA GLU 9 22.766 -2.058 -9.465 76 HB2 GLU 9 HB2 GLU 9 23.559 -4.948 -9.081 77 HB3 GLU 9 HB3 GLU 9 24.530 -3.534 -8.698 78 HG2 GLU 9 HG2 GLU 9 21.931 -3.531 -7.385 79 HG3 GLU 9 HG3 GLU 9 22.937 -4.912 -6.950 80 H ASN 10 H ASN 10 21.900 -4.578 -11.634 81 HA ASN 10 HA ASN 10 24.237 -4.211 -13.324 82 HB2 ASN 10 HB2 ASN 10 21.877 -6.056 -13.340 83 HB3 ASN 10 HB3 ASN 10 22.802 -5.825 -14.821 84 HD21 ASN 10 HD21 ASN 10 23.200 -6.591 -11.390 85 HD22 ASN 10 HD22 ASN 10 24.518 -7.686 -11.609 86 H TYR 11 H TYR 11 23.091 -1.819 -13.138 87 HA TYR 11 HA TYR 11 22.110 -1.371 -15.838 88 HB2 TYR 11 HB2 TYR 11 20.221 -1.617 -13.923 89 HB3 TYR 11 HB3 TYR 11 20.580 0.099 -13.772 90 HD1 TYR 11 HD1 TYR 11 19.745 -2.470 -16.347 91 HD2 TYR 11 HD2 TYR 11 19.502 1.610 -15.164 92 HE1 TYR 11 HE1 TYR 11 18.293 -2.003 -18.276 93 HE2 TYR 11 HE2 TYR 11 18.049 2.088 -17.090 94 HH TYR 11 HH TYR 11 17.726 0.093 -19.688 95 HA PRO 12 HA PRO 12 24.821 2.082 -15.462 96 HB2 PRO 12 HB2 PRO 12 23.941 3.517 -17.592 97 HB3 PRO 12 HB3 PRO 12 24.919 2.054 -17.757 98 HG2 PRO 12 HG2 PRO 12 21.956 2.392 -18.018 99 HG3 PRO 12 HG3 PRO 12 23.068 1.451 -19.029 100 HD2 PRO 12 HD2 PRO 12 21.517 0.315 -17.122 101 HD3 PRO 12 HD3 PRO 12 23.123 -0.313 -17.547 102 H VAL 13 H VAL 13 24.706 3.735 -14.089 103 HA VAL 13 HA VAL 13 22.255 4.810 -13.167 104 HB VAL 13 HB VAL 13 23.533 6.251 -11.780 105 HG11 VAL 13 HG11 VAL 13 23.711 3.700 -11.481 106 HG12 VAL 13 HG12 VAL 13 25.367 3.897 -12.058 107 HG13 VAL 13 HG13 VAL 13 24.836 4.728 -10.595 108 HG21 VAL 13 HG21 VAL 13 26.014 6.503 -12.134 109 HG22 VAL 13 HG22 VAL 13 25.784 5.771 -13.722 110 HG23 VAL 13 HG23 VAL 13 24.994 7.298 -13.333 111 H SER 14 H SER 14 24.243 5.562 -15.844 112 HA SER 14 HA SER 14 23.669 8.318 -16.118 113 HB2 SER 14 HB2 SER 14 25.114 6.331 -17.566 114 HB3 SER 14 HB3 SER 14 24.027 7.143 -18.693 115 HG SER 14 HG SER 14 24.957 9.114 -17.447 116 H LYS 15 H LYS 15 22.264 5.475 -17.747 117 HA LYS 15 HA LYS 15 20.290 6.837 -19.178 118 HB2 LYS 15 HB2 LYS 15 20.870 4.063 -18.453 119 HB3 LYS 15 HB3 LYS 15 19.150 4.384 -18.630 120 HG2 LYS 15 HG2 LYS 15 19.805 5.481 -20.865 121 HG3 LYS 15 HG3 LYS 15 21.326 4.606 -20.670 122 HD2 LYS 15 HD2 LYS 15 19.140 2.839 -20.136 123 HD3 LYS 15 HD3 LYS 15 18.878 3.639 -21.687 124 HE2 LYS 15 HE2 LYS 15 21.450 3.027 -21.984 125 HE3 LYS 15 HE3 LYS 15 21.011 1.753 -20.848 126 HZ1 LYS 15 HZ1 LYS 15 20.445 0.689 -22.730 127 HZ2 LYS 15 HZ2 LYS 15 20.234 2.110 -23.622 128 HZ3 LYS 15 HZ3 LYS 15 19.010 1.572 -22.586 129 H CYS 16 H CYS 16 20.483 6.016 -15.833 130 HA CYS 16 HA CYS 16 17.692 6.139 -15.256 131 HB2 CYS 16 HB2 CYS 16 20.210 6.014 -13.684 132 HB3 CYS 16 HB3 CYS 16 18.795 6.668 -12.866 133 H GLN 17 H GLN 17 20.373 8.427 -14.730 134 HA GLN 17 HA GLN 17 18.808 10.525 -13.725 135 HB2 GLN 17 HB2 GLN 17 21.464 10.530 -15.156 136 HB3 GLN 17 HB3 GLN 17 20.747 11.976 -14.457 137 HG2 GLN 17 HG2 GLN 17 21.641 11.468 -12.506 138 HG3 GLN 17 HG3 GLN 17 20.706 9.974 -12.467 139 HE21 GLN 17 HE21 GLN 17 22.332 8.838 -11.435 140 HE22 GLN 17 HE22 GLN 17 23.787 8.367 -12.237 141 H LEU 18 H LEU 18 19.092 9.283 -16.885 142 HA LEU 18 HA LEU 18 18.517 11.656 -18.346 143 HB2 LEU 18 HB2 LEU 18 18.663 8.762 -18.904 144 HB3 LEU 18 HB3 LEU 18 17.630 9.705 -19.978 145 HG LEU 18 HG LEU 18 20.420 10.635 -19.487 146 HD11 LEU 18 HD11 LEU 18 21.289 8.712 -20.197 147 HD12 LEU 18 HD12 LEU 18 20.596 9.099 -21.771 148 HD13 LEU 18 HD13 LEU 18 19.709 8.070 -20.647 149 HD21 LEU 18 HD21 LEU 18 20.172 11.719 -21.506 150 HD22 LEU 18 HD22 LEU 18 18.530 11.778 -20.866 151 HD23 LEU 18 HD23 LEU 18 18.958 10.582 -22.091 152 H ARG 19 H ARG 19 16.769 12.538 -17.093 153 HA ARG 19 HA ARG 19 14.322 11.271 -16.635 154 HB2 ARG 19 HB2 ARG 19 15.349 14.015 -16.573 155 HB3 ARG 19 HB3 ARG 19 13.637 13.914 -16.961 156 HG2 ARG 19 HG2 ARG 19 14.740 12.415 -14.624 157 HG3 ARG 19 HG3 ARG 19 14.374 14.137 -14.496 158 HD2 ARG 19 HD2 ARG 19 12.081 13.764 -15.050 159 HD3 ARG 19 HD3 ARG 19 12.400 12.080 -15.464 160 HE ARG 19 HE ARG 19 13.105 12.625 -12.768 161 HH11 ARG 19 HH11 ARG 19 10.380 12.060 -14.860 162 HH12 ARG 19 HH12 ARG 19 9.376 11.426 -13.598 163 HH21 ARG 19 HH21 ARG 19 11.793 11.792 -11.097 164 HH22 ARG 19 HH22 ARG 19 10.181 11.275 -11.458 165 H ILE 20 H ILE 20 15.694 12.461 -19.534 166 HA ILE 20 HA ILE 20 13.205 12.863 -20.926 167 HB ILE 20 HB ILE 20 15.903 12.514 -22.213 168 HG12 ILE 20 HG12 ILE 20 16.061 14.178 -20.380 169 HG13 ILE 20 HG13 ILE 20 16.268 14.905 -21.970 170 HG21 ILE 20 HG21 ILE 20 14.761 12.928 -24.069 171 HG22 ILE 20 HG22 ILE 20 13.276 13.134 -23.143 172 HG23 ILE 20 HG23 ILE 20 14.335 14.515 -23.430 173 HD11 ILE 20 HD11 ILE 20 13.533 14.889 -20.859 174 HD12 ILE 20 HD12 ILE 20 14.711 15.954 -20.091 175 HD13 ILE 20 HD13 ILE 20 14.369 16.115 -21.813 176 H ALA 21 H ALA 21 15.868 10.509 -21.252 177 HA ALA 21 HA ALA 21 13.935 8.634 -22.449 178 HB1 ALA 21 HB1 ALA 21 15.846 9.406 -23.892 179 HB2 ALA 21 HB2 ALA 21 16.923 8.542 -22.794 180 HB3 ALA 21 HB3 ALA 21 15.697 7.659 -23.703 181 H ASN 22 H ASN 22 13.504 8.345 -20.014 182 HA ASN 22 HA ASN 22 15.418 6.911 -18.465 183 HB2 ASN 22 HB2 ASN 22 13.183 8.268 -17.826 184 HB3 ASN 22 HB3 ASN 22 12.534 6.631 -17.823 185 HD21 ASN 22 HD21 ASN 22 12.230 6.440 -15.661 186 HD22 ASN 22 HD22 ASN 22 13.516 6.425 -14.507 187 H GLN 23 H GLN 23 16.065 5.191 -19.827 188 HA GLN 23 HA GLN 23 14.177 3.262 -20.785 189 HB2 GLN 23 HB2 GLN 23 16.966 3.820 -21.130 190 HB3 GLN 23 HB3 GLN 23 16.769 2.124 -20.710 191 HG2 GLN 23 HG2 GLN 23 15.091 3.365 -22.849 192 HG3 GLN 23 HG3 GLN 23 16.734 2.825 -23.189 193 HE21 GLN 23 HE21 GLN 23 13.668 1.935 -23.498 194 HE22 GLN 23 HE22 GLN 23 13.811 0.218 -23.375 195 H CYS 24 H CYS 24 15.326 3.911 -17.757 196 HA CYS 24 HA CYS 24 15.846 1.326 -16.731 197 HB2 CYS 24 HB2 CYS 24 16.626 3.165 -15.454 198 HB3 CYS 24 HB3 CYS 24 15.038 3.926 -15.439 199 H ASN 25 H ASN 25 12.983 3.397 -16.220 200 HA ASN 25 HA ASN 25 11.368 1.472 -15.044 201 HB2 ASN 25 HB2 ASN 25 9.503 2.913 -15.533 202 HB3 ASN 25 HB3 ASN 25 10.891 3.930 -15.156 203 HD21 ASN 25 HD21 ASN 25 8.799 2.754 -17.682 204 HD22 ASN 25 HD22 ASN 25 9.216 3.951 -18.856 205 H TYR 26 H TYR 26 11.891 2.200 -18.453 206 HA TYR 26 HA TYR 26 9.865 0.457 -19.430 207 HB2 TYR 26 HB2 TYR 26 11.391 2.417 -20.550 208 HB3 TYR 26 HB3 TYR 26 12.170 0.976 -21.193 209 HD1 TYR 26 HD1 TYR 26 10.802 -0.664 -22.513 210 HD2 TYR 26 HD2 TYR 26 9.305 3.156 -21.386 211 HE1 TYR 26 HE1 TYR 26 9.048 -0.852 -24.228 212 HE2 TYR 26 HE2 TYR 26 7.547 2.978 -23.097 213 HH TYR 26 HH TYR 26 7.616 0.863 -25.590 214 H ASP 27 H ASP 27 13.330 0.121 -18.847 215 HA ASP 27 HA ASP 27 13.625 -2.435 -20.012 216 HB2 ASP 27 HB2 ASP 27 15.631 -1.272 -19.670 217 HB3 ASP 27 HB3 ASP 27 15.217 -0.861 -18.007 218 H CYS 28 H CYS 28 12.854 -1.375 -16.731 219 HA CYS 28 HA CYS 28 13.029 -3.793 -15.390 220 HB2 CYS 28 HB2 CYS 28 11.335 -1.348 -15.005 221 HB3 CYS 28 HB3 CYS 28 11.078 -2.760 -13.985 222 H LYS 29 H LYS 29 10.059 -2.365 -16.761 223 HA LYS 29 HA LYS 29 8.467 -4.654 -16.392 224 HB2 LYS 29 HB2 LYS 29 8.097 -2.519 -18.497 225 HB3 LYS 29 HB3 LYS 29 6.858 -3.577 -17.836 226 HG2 LYS 29 HG2 LYS 29 6.774 -2.438 -15.823 227 HG3 LYS 29 HG3 LYS 29 8.375 -1.729 -16.043 228 HD2 LYS 29 HD2 LYS 29 6.874 0.040 -16.411 229 HD3 LYS 29 HD3 LYS 29 7.365 -0.480 -18.025 230 HE2 LYS 29 HE2 LYS 29 5.219 -0.739 -18.536 231 HE3 LYS 29 HE3 LYS 29 5.136 -2.043 -17.353 232 HZ1 LYS 29 HZ1 LYS 29 4.473 0.815 -16.966 233 HZ2 LYS 29 HZ2 LYS 29 4.726 -0.233 -15.662 234 HZ3 LYS 29 HZ3 LYS 29 3.469 -0.530 -16.754 235 H LEU 30 H LEU 30 10.663 -3.711 -18.931 236 HA LEU 30 HA LEU 30 9.815 -5.338 -21.014 237 HB2 LEU 30 HB2 LEU 30 11.677 -3.595 -20.971 238 HB3 LEU 30 HB3 LEU 30 12.709 -4.882 -20.349 239 HG LEU 30 HG LEU 30 11.276 -5.554 -22.822 240 HD11 LEU 30 HD11 LEU 30 13.320 -3.343 -22.759 241 HD12 LEU 30 HD12 LEU 30 11.671 -3.267 -23.378 242 HD13 LEU 30 HD13 LEU 30 12.881 -4.243 -24.212 243 HD21 LEU 30 HD21 LEU 30 14.174 -5.697 -21.996 244 HD22 LEU 30 HD22 LEU 30 13.454 -6.462 -23.413 245 HD23 LEU 30 HD23 LEU 30 12.983 -6.982 -21.794 246 H ASP 31 H ASP 31 12.179 -6.098 -18.459 247 HA ASP 31 HA ASP 31 11.864 -8.948 -19.124 248 HB2 ASP 31 HB2 ASP 31 14.154 -7.306 -18.323 249 HB3 ASP 31 HB3 ASP 31 14.010 -8.801 -17.402 250 H LYS 32 H LYS 32 12.758 -7.133 -16.190 251 HA LYS 32 HA LYS 32 11.887 -8.945 -14.322 252 HB2 LYS 32 HB2 LYS 32 11.649 -5.945 -14.040 253 HB3 LYS 32 HB3 LYS 32 11.794 -7.118 -12.738 254 HG2 LYS 32 HG2 LYS 32 14.022 -7.650 -14.213 255 HG3 LYS 32 HG3 LYS 32 13.854 -5.905 -14.418 256 HD2 LYS 32 HD2 LYS 32 13.736 -5.645 -11.978 257 HD3 LYS 32 HD3 LYS 32 13.939 -7.388 -11.790 258 HE2 LYS 32 HE2 LYS 32 16.125 -7.249 -12.877 259 HE3 LYS 32 HE3 LYS 32 15.918 -5.510 -13.080 260 HZ1 LYS 32 HZ1 LYS 32 17.102 -6.729 -10.963 261 HZ2 LYS 32 HZ2 LYS 32 15.559 -6.371 -10.369 262 HZ3 LYS 32 HZ3 LYS 32 16.534 -5.135 -10.988 263 H HIS 33 H HIS 33 9.989 -6.700 -16.210 264 HA HIS 33 HA HIS 33 7.746 -6.497 -16.536 265 HB2 HIS 33 HB2 HIS 33 8.032 -9.097 -16.462 266 HB3 HIS 33 HB3 HIS 33 7.232 -8.956 -14.900 267 HD1 HIS 33 HD1 HIS 33 5.420 -10.468 -16.307 268 HD2 HIS 33 HD2 HIS 33 5.716 -6.438 -17.275 269 HE1 HIS 33 HE1 HIS 33 3.299 -9.915 -17.540 270 H ALA 34 H ALA 34 9.027 -5.298 -14.243 271 HA ALA 34 HA ALA 34 7.544 -5.537 -11.881 272 HB1 ALA 34 HB1 ALA 34 9.136 -4.152 -11.203 273 HB2 ALA 34 HB2 ALA 34 9.625 -3.871 -12.874 274 HB3 ALA 34 HB3 ALA 34 8.395 -2.849 -12.131 275 H ARG 35 H ARG 35 6.582 -3.100 -11.166 276 HA ARG 35 HA ARG 35 4.058 -3.045 -12.560 277 HB2 ARG 35 HB2 ARG 35 4.968 -1.238 -10.318 278 HB3 ARG 35 HB3 ARG 35 3.315 -1.576 -10.814 279 HG2 ARG 35 HG2 ARG 35 3.439 -3.805 -9.993 280 HG3 ARG 35 HG3 ARG 35 5.177 -3.667 -9.721 281 HD2 ARG 35 HD2 ARG 35 3.873 -3.472 -7.639 282 HD3 ARG 35 HD3 ARG 35 4.814 -2.022 -7.989 283 HE ARG 35 HE ARG 35 1.912 -2.288 -8.075 284 HH11 ARG 35 HH11 ARG 35 4.738 -0.333 -8.632 285 HH12 ARG 35 HH12 ARG 35 3.859 1.159 -8.672 286 HH21 ARG 35 HH21 ARG 35 0.743 -0.330 -8.126 287 HH22 ARG 35 HH22 ARG 35 1.586 1.160 -8.384 288 H SER 36 H SER 36 6.501 -0.569 -11.759 289 HA SER 36 HA SER 36 5.839 0.780 -14.284 290 HB2 SER 36 HB2 SER 36 5.117 2.638 -13.258 291 HB3 SER 36 HB3 SER 36 5.178 1.758 -11.731 292 HG SER 36 HG SER 36 6.893 3.666 -12.747 293 H GLY 37 H GLY 37 8.121 0.713 -11.548 294 HA2 GLY 37 HA2 GLY 37 10.437 0.453 -11.655 295 HA3 GLY 37 HA3 GLY 37 10.345 0.577 -13.406 296 H GLU 38 H GLU 38 11.880 1.958 -11.071 297 HA GLU 38 HA GLU 38 12.001 4.524 -12.382 298 HB2 GLU 38 HB2 GLU 38 10.841 4.198 -9.638 299 HB3 GLU 38 HB3 GLU 38 11.745 5.652 -10.037 300 HG2 GLU 38 HG2 GLU 38 10.187 5.886 -12.030 301 HG3 GLU 38 HG3 GLU 38 9.194 4.653 -11.255 302 H CYS 39 H CYS 39 13.708 5.928 -11.374 303 HA CYS 39 HA CYS 39 15.868 4.228 -10.313 304 HB2 CYS 39 HB2 CYS 39 16.042 6.762 -11.958 305 HB3 CYS 39 HB3 CYS 39 17.423 5.878 -11.316 306 H PHE 40 H PHE 40 16.951 4.825 -8.500 307 HA PHE 40 HA PHE 40 16.579 7.463 -7.357 308 HB2 PHE 40 HB2 PHE 40 15.681 4.979 -5.882 309 HB3 PHE 40 HB3 PHE 40 15.765 6.599 -5.196 310 HD1 PHE 40 HD1 PHE 40 14.289 8.396 -6.164 311 HD2 PHE 40 HD2 PHE 40 13.799 4.267 -7.072 312 HE1 PHE 40 HE1 PHE 40 11.991 8.840 -6.926 313 HE2 PHE 40 HE2 PHE 40 11.501 4.704 -7.836 314 HZ PHE 40 HZ PHE 40 10.595 6.993 -7.765 315 H TYR 41 H TYR 41 17.926 7.786 -5.413 316 HA TYR 41 HA TYR 41 20.503 6.561 -5.796 317 HB2 TYR 41 HB2 TYR 41 19.500 8.674 -3.887 318 HB3 TYR 41 HB3 TYR 41 21.163 8.097 -3.892 319 HD1 TYR 41 HD2 TYR 41 18.623 9.957 -5.799 320 HD2 TYR 41 HD1 TYR 41 22.703 8.766 -5.607 321 HE1 TYR 41 HE2 TYR 41 19.174 11.583 -7.560 322 HE2 TYR 41 HE1 TYR 41 23.266 10.390 -7.366 323 HH TYR 41 HH TYR 41 21.409 11.600 -9.415 324 H ASP 42 H ASP 42 21.725 5.496 -4.157 325 HA ASP 42 HA ASP 42 20.032 3.956 -2.315 326 HB2 ASP 42 HB2 ASP 42 21.751 3.005 -4.162 327 HB3 ASP 42 HB3 ASP 42 22.840 3.131 -2.784 328 H GLU 43 H GLU 43 21.872 3.019 -0.541 329 HA GLU 43 HA GLU 43 22.118 5.173 1.270 330 HB2 GLU 43 HB2 GLU 43 23.615 2.563 1.461 331 HB3 GLU 43 HB3 GLU 43 23.101 3.612 2.774 332 HG2 GLU 43 HG2 GLU 43 20.740 2.990 1.507 333 HG3 GLU 43 HG3 GLU 43 21.664 1.493 1.408 334 H LYS 44 H LYS 44 24.074 4.168 -1.305 335 HA LYS 44 HA LYS 44 26.433 5.532 -0.201 336 HB2 LYS 44 HB2 LYS 44 26.047 3.354 -2.185 337 HB3 LYS 44 HB3 LYS 44 27.381 4.464 -2.469 338 HG2 LYS 44 HG2 LYS 44 27.456 3.718 0.260 339 HG3 LYS 44 HG3 LYS 44 27.251 2.250 -0.698 340 HD2 LYS 44 HD2 LYS 44 29.138 3.370 -2.170 341 HD3 LYS 44 HD3 LYS 44 29.502 4.199 -0.654 342 HE2 LYS 44 HE2 LYS 44 29.091 1.458 -0.064 343 HE3 LYS 44 HE3 LYS 44 30.175 1.548 -1.452 344 HZ1 LYS 44 HZ1 LYS 44 31.253 1.590 0.804 345 HZ2 LYS 44 HZ2 LYS 44 30.605 3.138 1.009 346 HZ3 LYS 44 HZ3 LYS 44 31.702 2.840 -0.243 347 H ARG 45 H ARG 45 23.960 6.760 -1.387 348 HA ARG 45 HA ARG 45 23.394 8.489 -2.753 349 HB2 ARG 45 HB2 ARG 45 26.341 9.058 -3.012 350 HB3 ARG 45 HB3 ARG 45 25.003 10.199 -3.068 351 HG2 ARG 45 HG2 ARG 45 25.809 8.640 -0.622 352 HG3 ARG 45 HG3 ARG 45 26.315 10.294 -0.973 353 HD2 ARG 45 HD2 ARG 45 23.618 10.473 -1.282 354 HD3 ARG 45 HD3 ARG 45 23.743 9.266 -0.003 355 HE ARG 45 HE ARG 45 25.408 11.226 0.833 356 HH11 ARG 45 HH11 ARG 45 22.092 11.192 -0.228 357 HH12 ARG 45 HH12 ARG 45 21.625 12.534 0.763 358 HH21 ARG 45 HH21 ARG 45 24.805 12.994 2.143 359 HH22 ARG 45 HH22 ARG 45 23.169 13.559 2.111 360 H ASN 46 H ASN 46 23.940 5.883 -3.945 361 HA ASN 46 HA ASN 46 24.849 6.692 -6.625 362 HB2 ASN 46 HB2 ASN 46 24.654 3.916 -5.432 363 HB3 ASN 46 HB3 ASN 46 25.241 4.300 -7.048 364 HD21 ASN 46 HD21 ASN 46 26.647 2.932 -4.968 365 HD22 ASN 46 HD22 ASN 46 28.047 3.874 -4.596 366 H LEU 47 H LEU 47 23.383 6.856 -8.184 367 HA LEU 47 HA LEU 47 20.637 6.176 -7.685 368 HB2 LEU 47 HB2 LEU 47 22.043 7.925 -9.390 369 HB3 LEU 47 HB3 LEU 47 21.139 6.825 -10.429 370 HG LEU 47 HG LEU 47 19.858 8.388 -8.196 371 HD11 LEU 47 HD11 LEU 47 21.040 9.672 -10.188 372 HD12 LEU 47 HD12 LEU 47 19.475 10.175 -9.548 373 HD13 LEU 47 HD13 LEU 47 19.556 9.219 -11.028 374 HD21 LEU 47 HD21 LEU 47 17.842 7.691 -9.050 375 HD22 LEU 47 HD22 LEU 47 18.843 6.271 -9.353 376 HD23 LEU 47 HD23 LEU 47 18.499 7.403 -10.661 377 H GLN 48 H GLN 48 19.818 4.220 -7.969 378 HA GLN 48 HA GLN 48 20.914 2.535 -10.124 379 HB2 GLN 48 HB2 GLN 48 20.002 1.773 -7.356 380 HB3 GLN 48 HB3 GLN 48 20.146 0.592 -8.650 381 HG2 GLN 48 HG2 GLN 48 22.302 0.376 -8.235 382 HG3 GLN 48 HG3 GLN 48 22.551 2.092 -8.556 383 HE21 GLN 48 HE21 GLN 48 21.263 -0.007 -5.999 384 HE22 GLN 48 HE22 GLN 48 21.997 0.849 -4.691 385 H CYS 49 H CYS 49 19.389 0.948 -11.010 386 HA CYS 49 HA CYS 49 16.821 2.183 -11.476 387 HB2 CYS 49 HB2 CYS 49 18.183 1.111 -13.288 388 HB3 CYS 49 HB3 CYS 49 17.862 -0.449 -12.538 389 H ILE 50 H ILE 50 15.635 1.995 -9.599 390 HA ILE 50 HA ILE 50 15.259 -0.634 -8.406 391 HB ILE 50 HB ILE 50 14.319 2.116 -7.615 392 HG12 ILE 50 HG12 ILE 50 15.700 0.585 -5.602 393 HG13 ILE 50 HG13 ILE 50 16.648 0.617 -7.085 394 HG21 ILE 50 HG21 ILE 50 13.402 0.978 -5.571 395 HG22 ILE 50 HG22 ILE 50 12.500 0.696 -7.059 396 HG23 ILE 50 HG23 ILE 50 13.579 -0.550 -6.433 397 HD11 ILE 50 HD11 ILE 50 15.859 3.226 -6.820 398 HD12 ILE 50 HD12 ILE 50 16.129 2.722 -5.152 399 HD13 ILE 50 HD13 ILE 50 17.421 2.562 -6.341 400 H CYS 51 H CYS 51 13.738 -1.952 -9.131 401 HA CYS 51 HA CYS 51 11.488 -0.875 -10.648 402 HB2 CYS 51 HB2 CYS 51 12.168 -3.781 -10.188 403 HB3 CYS 51 HB3 CYS 51 11.126 -3.105 -11.436 404 H ASP 52 H ASP 52 9.385 -2.254 -10.307 405 HA ASP 52 HA ASP 52 8.862 -2.349 -7.407 406 HB2 ASP 52 HB2 ASP 52 7.677 -0.689 -9.298 407 HB3 ASP 52 HB3 ASP 52 6.494 -1.972 -9.058 408 H TYR 53 H TYR 53 8.396 -4.300 -6.662 409 HA TYR 53 HA TYR 53 7.153 -6.247 -8.494 410 HB2 TYR 53 HB2 TYR 53 9.478 -6.481 -6.686 411 HB3 TYR 53 HB3 TYR 53 8.353 -7.834 -6.648 412 HD1 TYR 53 HD2 TYR 53 10.692 -5.929 -8.751 413 HD2 TYR 53 HD1 TYR 53 8.138 -9.324 -8.524 414 HE1 TYR 53 HE2 TYR 53 11.721 -6.833 -10.794 415 HE2 TYR 53 HE1 TYR 53 9.160 -10.237 -10.565 416 HH TYR 53 HH TYR 53 11.470 -9.953 -11.752 417 H CYS 54 H CYS 54 5.072 -6.348 -7.930 418 HA CYS 54 HA CYS 54 4.223 -7.533 -5.554 419 HB2 CYS 54 HB2 CYS 54 4.689 -4.707 -5.312 420 HB3 CYS 54 HB3 CYS 54 2.969 -5.036 -5.130 421 H GLU 55 H GLU 55 3.471 -5.392 -8.227 422 HA GLU 55 HA GLU 55 0.837 -6.696 -8.449 423 HB2 GLU 55 HB2 GLU 55 1.591 -3.858 -9.164 424 HB3 GLU 55 HB3 GLU 55 0.049 -4.605 -9.557 425 HG2 GLU 55 HG2 GLU 55 -0.298 -4.978 -7.110 426 HG3 GLU 55 HG3 GLU 55 1.147 -4.009 -6.823 427 H TYR 56 H TYR 56 0.035 -6.002 -10.889 428 HA TYR 56 HA TYR 56 1.528 -7.672 -12.593 429 HB2 TYR 56 HB2 TYR 56 -0.893 -6.034 -12.782 430 HB3 TYR 56 HB3 TYR 56 -0.008 -6.148 -14.299 431 HD1 TYR 56 HD2 TYR 56 0.335 -8.342 -15.372 432 HD2 TYR 56 HD1 TYR 56 -2.034 -7.933 -11.861 433 HE1 TYR 56 HE2 TYR 56 -0.646 -10.560 -15.782 434 HE2 TYR 56 HE1 TYR 56 -3.020 -10.150 -12.261 435 HH TYR 56 HH TYR 56 -3.331 -11.757 -13.913 Start of MODEL 17 1 H1 GLN 1 H GLN 1 1.204 1.401 -3.067 2 HA GLN 1 HA GLN 1 2.939 2.805 -2.322 3 HB2 GLN 1 HB2 GLN 1 4.092 2.329 -0.184 4 HB3 GLN 1 HB3 GLN 1 2.365 2.593 0.019 5 HG2 GLN 1 HG2 GLN 1 1.971 0.247 0.273 6 HG3 GLN 1 HG3 GLN 1 3.646 -0.124 -0.133 7 HE21 GLN 1 HE21 GLN 1 1.452 0.861 2.314 8 HE22 GLN 1 HE22 GLN 1 2.579 0.896 3.623 9 H ASP 2 H ASP 2 5.403 2.292 -1.829 10 HA ASP 2 HA ASP 2 6.125 0.196 -3.724 11 HB2 ASP 2 HB2 ASP 2 7.651 2.501 -2.517 12 HB3 ASP 2 HB3 ASP 2 8.434 1.254 -3.483 13 H LYS 3 H LYS 3 5.201 -0.867 -1.380 14 HA LYS 3 HA LYS 3 7.175 -1.372 0.570 15 HB2 LYS 3 HB2 LYS 3 4.885 -1.761 1.129 16 HB3 LYS 3 HB3 LYS 3 4.679 -2.873 -0.218 17 HG2 LYS 3 HG2 LYS 3 5.472 -4.611 0.940 18 HG3 LYS 3 HG3 LYS 3 6.775 -3.663 1.660 19 HD2 LYS 3 HD2 LYS 3 5.409 -4.286 3.467 20 HD3 LYS 3 HD3 LYS 3 4.972 -2.610 3.126 21 HE2 LYS 3 HE2 LYS 3 2.873 -3.160 2.581 22 HE3 LYS 3 HE3 LYS 3 3.396 -4.533 1.608 23 HZ1 LYS 3 HZ1 LYS 3 2.047 -5.235 3.485 24 HZ2 LYS 3 HZ2 LYS 3 3.132 -4.517 4.566 25 HZ3 LYS 3 HZ3 LYS 3 3.622 -5.836 3.627 26 H CYS 4 H CYS 4 6.628 -2.677 -2.573 27 HA CYS 4 HA CYS 4 8.779 -4.635 -2.110 28 HB2 CYS 4 HB2 CYS 4 7.611 -5.958 -3.995 29 HB3 CYS 4 HB3 CYS 4 6.905 -6.013 -2.383 30 H LYS 5 H LYS 5 10.401 -4.689 -3.579 31 HA LYS 5 HA LYS 5 10.184 -3.636 -6.216 32 HB2 LYS 5 HB2 LYS 5 11.531 -1.681 -6.040 33 HB3 LYS 5 HB3 LYS 5 10.279 -1.543 -4.812 34 HG2 LYS 5 HG2 LYS 5 12.544 -2.846 -3.674 35 HG3 LYS 5 HG3 LYS 5 13.072 -1.371 -4.488 36 HD2 LYS 5 HD2 LYS 5 10.818 -0.526 -3.200 37 HD3 LYS 5 HD3 LYS 5 11.458 -1.717 -2.065 38 HE2 LYS 5 HE2 LYS 5 12.759 -0.052 -1.330 39 HE3 LYS 5 HE3 LYS 5 13.705 -0.331 -2.791 40 HZ1 LYS 5 HZ1 LYS 5 11.485 1.349 -3.333 41 HZ2 LYS 5 HZ2 LYS 5 13.133 1.650 -3.564 42 HZ3 LYS 5 HZ3 LYS 5 12.412 1.992 -2.072 43 H LYS 6 H LYS 6 12.447 -3.467 -7.237 44 HA LYS 6 HA LYS 6 14.385 -5.250 -5.969 45 HB2 LYS 6 HB2 LYS 6 13.094 -5.723 -8.653 46 HB3 LYS 6 HB3 LYS 6 14.628 -6.454 -8.201 47 HG2 LYS 6 HG2 LYS 6 13.386 -7.366 -6.162 48 HG3 LYS 6 HG3 LYS 6 11.912 -6.923 -7.026 49 HD2 LYS 6 HD2 LYS 6 12.066 -8.965 -7.941 50 HD3 LYS 6 HD3 LYS 6 13.325 -8.252 -8.952 51 HE2 LYS 6 HE2 LYS 6 14.997 -8.936 -7.243 52 HE3 LYS 6 HE3 LYS 6 13.707 -9.760 -6.368 53 HZ1 LYS 6 HZ1 LYS 6 13.510 -11.361 -7.985 54 HZ2 LYS 6 HZ2 LYS 6 15.177 -11.075 -8.018 55 HZ3 LYS 6 HZ3 LYS 6 14.178 -10.394 -9.202 56 H VAL 7 H VAL 7 16.188 -4.086 -5.930 57 HA VAL 7 HA VAL 7 16.709 -1.970 -7.785 58 HB VAL 7 HB VAL 7 17.468 -2.016 -5.375 59 HG11 VAL 7 HG11 VAL 7 19.164 -3.355 -4.638 60 HG12 VAL 7 HG12 VAL 7 18.436 -4.435 -5.829 61 HG13 VAL 7 HG13 VAL 7 19.884 -3.515 -6.240 62 HG21 VAL 7 HG21 VAL 7 19.891 -1.562 -7.023 63 HG22 VAL 7 HG22 VAL 7 18.437 -0.663 -7.454 64 HG23 VAL 7 HG23 VAL 7 19.117 -0.515 -5.833 65 H TYR 8 H TYR 8 18.378 -1.833 -9.314 66 HA TYR 8 HA TYR 8 19.291 -4.443 -10.324 67 HB2 TYR 8 HB2 TYR 8 17.812 -2.634 -11.669 68 HB3 TYR 8 HB3 TYR 8 19.424 -2.061 -12.084 69 HD1 TYR 8 HD1 TYR 8 20.544 -5.035 -11.865 70 HD2 TYR 8 HD2 TYR 8 17.387 -3.175 -14.027 71 HE1 TYR 8 HE1 TYR 8 20.715 -6.772 -13.597 72 HE2 TYR 8 HE2 TYR 8 17.549 -4.907 -15.765 73 HH TYR 8 HH TYR 8 18.418 -7.417 -15.788 74 H GLU 9 H GLU 9 21.160 -4.543 -9.044 75 HA GLU 9 HA GLU 9 23.054 -2.506 -8.753 76 HB2 GLU 9 HB2 GLU 9 23.643 -5.467 -8.798 77 HB3 GLU 9 HB3 GLU 9 24.569 -4.212 -7.989 78 HG2 GLU 9 HG2 GLU 9 21.778 -5.091 -7.285 79 HG3 GLU 9 HG3 GLU 9 23.252 -5.484 -6.402 80 H ASN 10 H ASN 10 22.302 -4.468 -11.447 81 HA ASN 10 HA ASN 10 24.830 -3.732 -12.764 82 HB2 ASN 10 HB2 ASN 10 22.903 -5.819 -13.769 83 HB3 ASN 10 HB3 ASN 10 24.604 -5.613 -14.177 84 HD21 ASN 10 HD21 ASN 10 22.338 -6.967 -11.991 85 HD22 ASN 10 HD22 ASN 10 23.469 -7.807 -10.991 86 H TYR 11 H TYR 11 23.518 -1.589 -12.812 87 HA TYR 11 HA TYR 11 22.444 -1.359 -15.501 88 HB2 TYR 11 HB2 TYR 11 20.589 -1.753 -13.640 89 HB3 TYR 11 HB3 TYR 11 20.827 -0.029 -13.376 90 HD1 TYR 11 HD1 TYR 11 19.944 -2.542 -15.960 91 HD2 TYR 11 HD2 TYR 11 19.853 1.556 -14.819 92 HE1 TYR 11 HE1 TYR 11 18.450 -2.055 -17.852 93 HE2 TYR 11 HE2 TYR 11 18.359 2.054 -16.708 94 HH TYR 11 HH TYR 11 17.435 1.256 -18.585 95 HA PRO 12 HA PRO 12 24.823 2.349 -15.308 96 HB2 PRO 12 HB2 PRO 12 23.819 3.572 -17.514 97 HB3 PRO 12 HB3 PRO 12 24.936 2.205 -17.599 98 HG2 PRO 12 HG2 PRO 12 21.956 2.236 -17.878 99 HG3 PRO 12 HG3 PRO 12 23.160 1.355 -18.836 100 HD2 PRO 12 HD2 PRO 12 21.718 0.177 -16.870 101 HD3 PRO 12 HD3 PRO 12 23.380 -0.312 -17.260 102 H VAL 13 H VAL 13 24.500 3.975 -13.938 103 HA VAL 13 HA VAL 13 21.933 4.890 -13.167 104 HB VAL 13 HB VAL 13 23.032 6.443 -11.747 105 HG11 VAL 13 HG11 VAL 13 25.021 4.202 -11.881 106 HG12 VAL 13 HG12 VAL 13 24.382 5.037 -10.463 107 HG13 VAL 13 HG13 VAL 13 23.357 3.923 -11.369 108 HG21 VAL 13 HG21 VAL 13 25.737 6.378 -12.231 109 HG22 VAL 13 HG22 VAL 13 25.048 6.428 -13.854 110 HG23 VAL 13 HG23 VAL 13 24.641 7.683 -12.684 111 H SER 14 H SER 14 23.997 5.724 -15.756 112 HA SER 14 HA SER 14 23.322 8.428 -16.131 113 HB2 SER 14 HB2 SER 14 24.824 6.440 -17.517 114 HB3 SER 14 HB3 SER 14 23.723 7.192 -18.671 115 HG SER 14 HG SER 14 24.537 9.244 -17.819 116 H LYS 15 H LYS 15 21.995 5.508 -17.686 117 HA LYS 15 HA LYS 15 19.996 6.784 -19.163 118 HB2 LYS 15 HB2 LYS 15 20.631 4.042 -18.352 119 HB3 LYS 15 HB3 LYS 15 18.909 4.323 -18.570 120 HG2 LYS 15 HG2 LYS 15 19.549 5.347 -20.824 121 HG3 LYS 15 HG3 LYS 15 21.117 4.576 -20.579 122 HD2 LYS 15 HD2 LYS 15 18.952 2.739 -20.044 123 HD3 LYS 15 HD3 LYS 15 18.825 3.420 -21.668 124 HE2 LYS 15 HE2 LYS 15 21.413 2.872 -21.704 125 HE3 LYS 15 HE3 LYS 15 20.939 1.696 -20.480 126 HZ1 LYS 15 HZ1 LYS 15 20.861 0.677 -22.630 127 HZ2 LYS 15 HZ2 LYS 15 19.871 1.904 -23.242 128 HZ3 LYS 15 HZ3 LYS 15 19.275 0.844 -22.065 129 H CYS 16 H CYS 16 20.173 5.997 -15.798 130 HA CYS 16 HA CYS 16 17.372 6.122 -15.261 131 HB2 CYS 16 HB2 CYS 16 19.863 6.061 -13.612 132 HB3 CYS 16 HB3 CYS 16 18.360 6.570 -12.848 133 H GLN 17 H GLN 17 20.043 8.426 -15.100 134 HA GLN 17 HA GLN 17 18.453 10.532 -13.991 135 HB2 GLN 17 HB2 GLN 17 21.182 10.488 -15.276 136 HB3 GLN 17 HB3 GLN 17 20.444 11.956 -14.650 137 HG2 GLN 17 HG2 GLN 17 20.719 9.555 -12.898 138 HG3 GLN 17 HG3 GLN 17 22.099 10.615 -13.180 139 HE21 GLN 17 HE21 GLN 17 22.094 11.150 -10.964 140 HE22 GLN 17 HE22 GLN 17 20.946 12.268 -10.317 141 H LEU 18 H LEU 18 18.704 9.190 -17.064 142 HA LEU 18 HA LEU 18 18.358 11.527 -18.651 143 HB2 LEU 18 HB2 LEU 18 18.300 8.615 -19.055 144 HB3 LEU 18 HB3 LEU 18 17.292 9.543 -20.164 145 HG LEU 18 HG LEU 18 20.186 10.224 -19.761 146 HD11 LEU 18 HD11 LEU 18 19.909 8.761 -22.142 147 HD12 LEU 18 HD12 LEU 18 19.161 7.794 -20.872 148 HD13 LEU 18 HD13 LEU 18 20.833 8.327 -20.704 149 HD21 LEU 18 HD21 LEU 18 18.562 10.500 -22.260 150 HD22 LEU 18 HD22 LEU 18 19.986 11.406 -21.745 151 HD23 LEU 18 HD23 LEU 18 18.429 11.691 -20.967 152 H ARG 19 H ARG 19 16.686 12.629 -17.476 153 HA ARG 19 HA ARG 19 14.124 11.592 -17.007 154 HB2 ARG 19 HB2 ARG 19 15.200 14.380 -17.316 155 HB3 ARG 19 HB3 ARG 19 13.476 14.102 -17.106 156 HG2 ARG 19 HG2 ARG 19 13.725 13.876 -14.919 157 HG3 ARG 19 HG3 ARG 19 14.949 12.624 -15.141 158 HD2 ARG 19 HD2 ARG 19 16.194 14.196 -14.047 159 HD3 ARG 19 HD3 ARG 19 16.471 14.698 -15.714 160 HE ARG 19 HE ARG 19 14.224 16.056 -14.784 161 HH11 ARG 19 HH11 ARG 19 17.638 15.881 -14.127 162 HH12 ARG 19 HH12 ARG 19 17.750 17.521 -13.580 163 HH21 ARG 19 HH21 ARG 19 14.358 18.217 -14.066 164 HH22 ARG 19 HH22 ARG 19 15.883 18.849 -13.545 165 H ILE 20 H ILE 20 15.618 12.816 -19.885 166 HA ILE 20 HA ILE 20 13.164 13.258 -21.315 167 HB ILE 20 HB ILE 20 15.894 12.907 -22.539 168 HG12 ILE 20 HG12 ILE 20 14.668 15.418 -21.378 169 HG13 ILE 20 HG13 ILE 20 16.060 14.554 -20.733 170 HG21 ILE 20 HG21 ILE 20 13.585 14.613 -23.442 171 HG22 ILE 20 HG22 ILE 20 15.042 14.195 -24.343 172 HG23 ILE 20 HG23 ILE 20 13.839 12.956 -23.987 173 HD11 ILE 20 HD11 ILE 20 16.565 15.163 -23.460 174 HD12 ILE 20 HD12 ILE 20 16.010 16.624 -22.644 175 HD13 ILE 20 HD13 ILE 20 17.402 15.741 -22.019 176 H ALA 21 H ALA 21 15.377 10.611 -20.844 177 HA ALA 21 HA ALA 21 13.537 8.844 -22.248 178 HB1 ALA 21 HB1 ALA 21 14.984 8.038 -23.828 179 HB2 ALA 21 HB2 ALA 21 15.496 9.725 -23.762 180 HB3 ALA 21 HB3 ALA 21 16.418 8.489 -22.906 181 H ASN 22 H ASN 22 13.133 8.161 -20.065 182 HA ASN 22 HA ASN 22 15.279 6.939 -18.564 183 HB2 ASN 22 HB2 ASN 22 13.077 8.164 -17.722 184 HB3 ASN 22 HB3 ASN 22 12.415 6.536 -17.828 185 HD21 ASN 22 HD21 ASN 22 12.164 6.262 -15.650 186 HD22 ASN 22 HD22 ASN 22 13.493 6.113 -14.556 187 H GLN 23 H GLN 23 15.977 5.264 -19.924 188 HA GLN 23 HA GLN 23 14.176 3.268 -20.906 189 HB2 GLN 23 HB2 GLN 23 16.935 3.955 -21.244 190 HB3 GLN 23 HB3 GLN 23 16.821 2.248 -20.837 191 HG2 GLN 23 HG2 GLN 23 15.076 3.413 -22.963 192 HG3 GLN 23 HG3 GLN 23 16.747 2.975 -23.313 193 HE21 GLN 23 HE21 GLN 23 13.743 1.909 -23.637 194 HE22 GLN 23 HE22 GLN 23 13.986 0.202 -23.527 195 H CYS 24 H CYS 24 15.288 3.915 -17.865 196 HA CYS 24 HA CYS 24 15.922 1.341 -16.879 197 HB2 CYS 24 HB2 CYS 24 16.599 3.219 -15.581 198 HB3 CYS 24 HB3 CYS 24 14.962 3.864 -15.533 199 H ASN 25 H ASN 25 12.956 3.265 -16.374 200 HA ASN 25 HA ASN 25 11.428 1.247 -15.231 201 HB2 ASN 25 HB2 ASN 25 9.533 2.621 -15.615 202 HB3 ASN 25 HB3 ASN 25 10.884 3.729 -15.393 203 HD21 ASN 25 HD21 ASN 25 11.353 5.142 -16.955 204 HD22 ASN 25 HD22 ASN 25 10.580 5.201 -18.499 205 H TYR 26 H TYR 26 11.917 2.063 -18.628 206 HA TYR 26 HA TYR 26 9.993 0.233 -19.644 207 HB2 TYR 26 HB2 TYR 26 11.442 2.282 -20.721 208 HB3 TYR 26 HB3 TYR 26 12.274 0.882 -21.391 209 HD1 TYR 26 HD2 TYR 26 10.843 -0.869 -22.604 210 HD2 TYR 26 HD1 TYR 26 9.449 3.042 -21.676 211 HE1 TYR 26 HE2 TYR 26 9.097 -1.091 -24.322 212 HE2 TYR 26 HE1 TYR 26 7.697 2.831 -23.390 213 HH TYR 26 HH TYR 26 6.477 0.519 -24.498 214 H ASP 27 H ASP 27 13.455 0.050 -19.003 215 HA ASP 27 HA ASP 27 13.913 -2.451 -20.227 216 HB2 ASP 27 HB2 ASP 27 15.741 -0.930 -19.647 217 HB3 ASP 27 HB3 ASP 27 15.381 -1.131 -17.935 218 H CYS 28 H CYS 28 13.032 -1.544 -16.922 219 HA CYS 28 HA CYS 28 13.266 -3.987 -15.658 220 HB2 CYS 28 HB2 CYS 28 11.397 -1.669 -15.263 221 HB3 CYS 28 HB3 CYS 28 11.241 -3.117 -14.274 222 H LYS 29 H LYS 29 10.286 -2.679 -17.123 223 HA LYS 29 HA LYS 29 8.798 -5.053 -16.866 224 HB2 LYS 29 HB2 LYS 29 8.394 -2.912 -18.957 225 HB3 LYS 29 HB3 LYS 29 7.186 -4.023 -18.325 226 HG2 LYS 29 HG2 LYS 29 7.024 -2.899 -16.302 227 HG3 LYS 29 HG3 LYS 29 8.585 -2.100 -16.510 228 HD2 LYS 29 HD2 LYS 29 6.138 -1.564 -18.193 229 HD3 LYS 29 HD3 LYS 29 6.651 -0.578 -16.821 230 HE2 LYS 29 HE2 LYS 29 8.125 0.515 -18.078 231 HE3 LYS 29 HE3 LYS 29 8.839 -0.993 -18.646 232 HZ1 LYS 29 HZ1 LYS 29 7.736 -0.874 -20.568 233 HZ2 LYS 29 HZ2 LYS 29 7.492 0.757 -20.190 234 HZ3 LYS 29 HZ3 LYS 29 6.290 -0.381 -19.840 235 H LEU 30 H LEU 30 11.035 -3.934 -19.299 236 HA LEU 30 HA LEU 30 10.369 -5.534 -21.456 237 HB2 LEU 30 HB2 LEU 30 12.282 -3.747 -21.030 238 HB3 LEU 30 HB3 LEU 30 13.246 -5.202 -20.789 239 HG LEU 30 HG LEU 30 11.664 -5.281 -23.236 240 HD11 LEU 30 HD11 LEU 30 12.944 -3.633 -24.460 241 HD12 LEU 30 HD12 LEU 30 13.804 -3.171 -22.992 242 HD13 LEU 30 HD13 LEU 30 12.075 -2.858 -23.136 243 HD21 LEU 30 HD21 LEU 30 13.757 -6.030 -24.169 244 HD22 LEU 30 HD22 LEU 30 13.488 -6.836 -22.623 245 HD23 LEU 30 HD23 LEU 30 14.630 -5.495 -22.732 246 H ASP 31 H ASP 31 12.618 -6.298 -18.801 247 HA ASP 31 HA ASP 31 12.408 -9.137 -19.552 248 HB2 ASP 31 HB2 ASP 31 14.641 -7.463 -18.685 249 HB3 ASP 31 HB3 ASP 31 14.506 -8.954 -17.758 250 H LYS 32 H LYS 32 13.162 -7.346 -16.562 251 HA LYS 32 HA LYS 32 12.306 -9.218 -14.748 252 HB2 LYS 32 HB2 LYS 32 11.899 -6.249 -14.386 253 HB3 LYS 32 HB3 LYS 32 12.158 -7.454 -13.132 254 HG2 LYS 32 HG2 LYS 32 14.395 -7.772 -14.634 255 HG3 LYS 32 HG3 LYS 32 14.089 -6.044 -14.825 256 HD2 LYS 32 HD2 LYS 32 13.898 -5.898 -12.328 257 HD3 LYS 32 HD3 LYS 32 14.448 -7.574 -12.252 258 HE2 LYS 32 HE2 LYS 32 16.550 -7.011 -13.210 259 HE3 LYS 32 HE3 LYS 32 15.996 -5.392 -13.633 260 HZ1 LYS 32 HZ1 LYS 32 15.945 -6.175 -10.813 261 HZ2 LYS 32 HZ2 LYS 32 16.218 -4.656 -11.505 262 HZ3 LYS 32 HZ3 LYS 32 17.445 -5.821 -11.510 263 H HIS 33 H HIS 33 10.383 -7.052 -16.687 264 HA HIS 33 HA HIS 33 8.143 -6.913 -17.065 265 HB2 HIS 33 HB2 HIS 33 8.632 -9.596 -16.700 266 HB3 HIS 33 HB3 HIS 33 7.354 -9.283 -15.529 267 HD1 HIS 33 HD1 HIS 33 5.246 -7.846 -16.706 268 HD2 HIS 33 HD2 HIS 33 7.650 -10.210 -19.134 269 HE1 HIS 33 HE1 HIS 33 3.900 -8.257 -18.790 270 H ALA 34 H ALA 34 9.296 -5.688 -14.730 271 HA ALA 34 HA ALA 34 7.764 -6.027 -12.410 272 HB1 ALA 34 HB1 ALA 34 9.213 -4.535 -11.642 273 HB2 ALA 34 HB2 ALA 34 9.826 -4.313 -13.281 274 HB3 ALA 34 HB3 ALA 34 8.523 -3.287 -12.680 275 H ARG 35 H ARG 35 6.682 -3.633 -11.700 276 HA ARG 35 HA ARG 35 4.205 -3.664 -13.193 277 HB2 ARG 35 HB2 ARG 35 4.907 -1.904 -10.844 278 HB3 ARG 35 HB3 ARG 35 3.303 -2.334 -11.421 279 HG2 ARG 35 HG2 ARG 35 3.600 -4.612 -10.713 280 HG3 ARG 35 HG3 ARG 35 5.278 -4.290 -10.269 281 HD2 ARG 35 HD2 ARG 35 4.140 -4.203 -8.236 282 HD3 ARG 35 HD3 ARG 35 4.309 -2.509 -8.695 283 HE ARG 35 HE ARG 35 1.853 -4.066 -8.617 284 HH11 ARG 35 HH11 ARG 35 3.453 -1.110 -9.522 285 HH12 ARG 35 HH12 ARG 35 1.984 -0.197 -9.637 286 HH21 ARG 35 HH21 ARG 35 -0.087 -2.875 -8.764 287 HH22 ARG 35 HH22 ARG 35 -0.028 -1.202 -9.204 288 H SER 36 H SER 36 6.501 -1.126 -12.183 289 HA SER 36 HA SER 36 5.860 0.318 -14.662 290 HB2 SER 36 HB2 SER 36 5.520 2.355 -13.581 291 HB3 SER 36 HB3 SER 36 4.747 1.218 -12.476 292 HG SER 36 HG SER 36 6.438 2.903 -11.728 293 H GLY 37 H GLY 37 8.081 0.166 -11.881 294 HA2 GLY 37 HA2 GLY 37 10.403 0.015 -11.929 295 HA3 GLY 37 HA3 GLY 37 10.352 0.189 -13.677 296 H GLU 38 H GLU 38 11.775 1.550 -11.259 297 HA GLU 38 HA GLU 38 11.856 4.153 -12.493 298 HB2 GLU 38 HB2 GLU 38 10.594 3.717 -9.811 299 HB3 GLU 38 HB3 GLU 38 11.473 5.206 -10.126 300 HG2 GLU 38 HG2 GLU 38 9.996 5.453 -12.182 301 HG3 GLU 38 HG3 GLU 38 9.003 4.178 -11.477 302 H CYS 39 H CYS 39 13.480 5.581 -11.397 303 HA CYS 39 HA CYS 39 15.645 3.927 -10.277 304 HB2 CYS 39 HB2 CYS 39 15.855 6.514 -11.831 305 HB3 CYS 39 HB3 CYS 39 17.207 5.565 -11.223 306 H PHE 40 H PHE 40 16.646 4.534 -8.418 307 HA PHE 40 HA PHE 40 16.134 7.144 -7.257 308 HB2 PHE 40 HB2 PHE 40 15.299 4.602 -5.845 309 HB3 PHE 40 HB3 PHE 40 15.297 6.211 -5.132 310 HD1 PHE 40 HD2 PHE 40 13.757 7.953 -6.071 311 HD2 PHE 40 HD1 PHE 40 13.502 3.843 -7.147 312 HE1 PHE 40 HE2 PHE 40 11.467 8.314 -6.894 313 HE2 PHE 40 HE1 PHE 40 11.211 4.198 -7.972 314 HZ PHE 40 HZ PHE 40 10.191 6.435 -7.845 315 H TYR 41 H TYR 41 17.474 7.583 -5.387 316 HA TYR 41 HA TYR 41 20.085 6.445 -5.672 317 HB2 TYR 41 HB2 TYR 41 18.963 8.468 -3.727 318 HB3 TYR 41 HB3 TYR 41 20.659 7.998 -3.780 319 HD1 TYR 41 HD2 TYR 41 17.968 9.748 -5.577 320 HD2 TYR 41 HD1 TYR 41 22.113 8.792 -5.520 321 HE1 TYR 41 HE2 TYR 41 18.377 11.447 -7.308 322 HE2 TYR 41 HE1 TYR 41 22.534 10.490 -7.250 323 HH TYR 41 HH TYR 41 21.323 12.680 -8.011 324 H ASP 42 H ASP 42 21.317 5.423 -4.013 325 HA ASP 42 HA ASP 42 19.652 3.825 -2.188 326 HB2 ASP 42 HB2 ASP 42 21.149 2.059 -2.408 327 HB3 ASP 42 HB3 ASP 42 21.168 2.763 -4.022 328 H GLU 43 H GLU 43 21.525 2.893 -0.445 329 HA GLU 43 HA GLU 43 21.694 4.891 1.471 330 HB2 GLU 43 HB2 GLU 43 23.450 2.443 1.211 331 HB3 GLU 43 HB3 GLU 43 23.237 3.401 2.670 332 HG2 GLU 43 HG2 GLU 43 20.676 2.610 1.708 333 HG3 GLU 43 HG3 GLU 43 21.724 1.195 1.787 334 H LYS 44 H LYS 44 24.024 3.915 -0.978 335 HA LYS 44 HA LYS 44 25.991 5.827 -0.002 336 HB2 LYS 44 HB2 LYS 44 25.984 3.652 -2.054 337 HB3 LYS 44 HB3 LYS 44 27.187 4.929 -2.172 338 HG2 LYS 44 HG2 LYS 44 26.968 3.819 0.509 339 HG3 LYS 44 HG3 LYS 44 27.421 2.624 -0.708 340 HD2 LYS 44 HD2 LYS 44 29.092 4.496 -1.472 341 HD3 LYS 44 HD3 LYS 44 28.866 5.081 0.178 342 HE2 LYS 44 HE2 LYS 44 29.524 2.879 1.035 343 HE3 LYS 44 HE3 LYS 44 29.764 2.311 -0.617 344 HZ1 LYS 44 HZ1 LYS 44 31.192 4.733 0.084 345 HZ2 LYS 44 HZ2 LYS 44 31.713 3.383 -0.791 346 HZ3 LYS 44 HZ3 LYS 44 31.701 3.341 0.900 347 H ARG 45 H ARG 45 23.413 6.740 -1.073 348 HA ARG 45 HA ARG 45 22.538 8.269 -2.523 349 HB2 ARG 45 HB2 ARG 45 25.380 9.298 -2.577 350 HB3 ARG 45 HB3 ARG 45 23.923 10.215 -2.937 351 HG2 ARG 45 HG2 ARG 45 23.820 8.996 -0.310 352 HG3 ARG 45 HG3 ARG 45 25.213 10.061 -0.503 353 HD2 ARG 45 HD2 ARG 45 23.792 11.886 -1.160 354 HD3 ARG 45 HD3 ARG 45 22.378 10.832 -1.176 355 HE ARG 45 HE ARG 45 23.292 10.634 1.369 356 HH11 ARG 45 HH11 ARG 45 22.457 13.311 -0.694 357 HH12 ARG 45 HH12 ARG 45 21.954 14.330 0.613 358 HH21 ARG 45 HH21 ARG 45 22.632 11.966 3.099 359 HH22 ARG 45 HH22 ARG 45 22.054 13.565 2.770 360 H ASN 46 H ASN 46 23.174 5.886 -3.787 361 HA ASN 46 HA ASN 46 24.215 6.783 -6.394 362 HB2 ASN 46 HB2 ASN 46 24.117 3.963 -5.298 363 HB3 ASN 46 HB3 ASN 46 24.806 4.454 -6.842 364 HD21 ASN 46 HD21 ASN 46 26.018 3.122 -4.522 365 HD22 ASN 46 HD22 ASN 46 27.363 4.108 -4.070 366 H LEU 47 H LEU 47 22.749 7.001 -7.938 367 HA LEU 47 HA LEU 47 20.054 6.117 -7.597 368 HB2 LEU 47 HB2 LEU 47 21.453 7.948 -9.244 369 HB3 LEU 47 HB3 LEU 47 20.582 6.841 -10.303 370 HG LEU 47 HG LEU 47 19.228 8.307 -8.053 371 HD11 LEU 47 HD11 LEU 47 18.616 10.047 -9.532 372 HD12 LEU 47 HD12 LEU 47 19.305 9.208 -10.921 373 HD13 LEU 47 HD13 LEU 47 20.365 9.867 -9.675 374 HD21 LEU 47 HD21 LEU 47 18.322 6.224 -9.420 375 HD22 LEU 47 HD22 LEU 47 17.908 7.485 -10.582 376 HD23 LEU 47 HD23 LEU 47 17.270 7.555 -8.939 377 H GLN 48 H GLN 48 19.445 4.078 -7.862 378 HA GLN 48 HA GLN 48 20.691 2.512 -10.024 379 HB2 GLN 48 HB2 GLN 48 19.741 1.691 -7.292 380 HB3 GLN 48 HB3 GLN 48 19.911 0.515 -8.588 381 HG2 GLN 48 HG2 GLN 48 22.083 0.358 -8.227 382 HG3 GLN 48 HG3 GLN 48 22.284 2.099 -8.423 383 HE21 GLN 48 HE21 GLN 48 21.247 -0.332 -6.070 384 HE22 GLN 48 HE22 GLN 48 21.857 0.496 -4.682 385 H CYS 49 H CYS 49 19.279 0.789 -10.926 386 HA CYS 49 HA CYS 49 16.682 1.911 -11.538 387 HB2 CYS 49 HB2 CYS 49 18.311 0.802 -13.203 388 HB3 CYS 49 HB3 CYS 49 17.730 -0.725 -12.547 389 H ILE 50 H ILE 50 15.486 1.667 -9.652 390 HA ILE 50 HA ILE 50 15.154 -0.995 -8.523 391 HB ILE 50 HB ILE 50 14.109 1.709 -7.703 392 HG12 ILE 50 HG12 ILE 50 15.522 0.141 -5.717 393 HG13 ILE 50 HG13 ILE 50 16.490 0.334 -7.174 394 HG21 ILE 50 HG21 ILE 50 12.327 0.231 -7.201 395 HG22 ILE 50 HG22 ILE 50 13.430 -1.007 -6.602 396 HG23 ILE 50 HG23 ILE 50 13.203 0.487 -5.692 397 HD11 ILE 50 HD11 ILE 50 17.131 2.205 -6.089 398 HD12 ILE 50 HD12 ILE 50 15.691 2.854 -6.876 399 HD13 ILE 50 HD13 ILE 50 15.619 2.338 -5.191 400 H CYS 51 H CYS 51 13.728 -2.337 -9.389 401 HA CYS 51 HA CYS 51 11.451 -1.282 -10.880 402 HB2 CYS 51 HB2 CYS 51 12.225 -4.182 -10.571 403 HB3 CYS 51 HB3 CYS 51 11.220 -3.457 -11.822 404 H ASP 52 H ASP 52 9.342 -2.474 -10.620 405 HA ASP 52 HA ASP 52 8.800 -2.839 -7.751 406 HB2 ASP 52 HB2 ASP 52 7.646 -1.015 -9.290 407 HB3 ASP 52 HB3 ASP 52 6.606 -2.371 -9.720 408 H TYR 53 H TYR 53 8.388 -4.830 -7.083 409 HA TYR 53 HA TYR 53 7.300 -6.767 -9.020 410 HB2 TYR 53 HB2 TYR 53 9.558 -6.950 -7.134 411 HB3 TYR 53 HB3 TYR 53 8.482 -8.343 -7.139 412 HD1 TYR 53 HD1 TYR 53 10.779 -6.316 -9.185 413 HD2 TYR 53 HD2 TYR 53 8.411 -9.846 -9.004 414 HE1 TYR 53 HE1 TYR 53 11.903 -7.165 -11.201 415 HE2 TYR 53 HE2 TYR 53 9.529 -10.706 -11.019 416 HH TYR 53 HH TYR 53 11.011 -10.300 -12.617 417 H CYS 54 H CYS 54 5.212 -7.029 -8.565 418 HA CYS 54 HA CYS 54 4.382 -8.170 -6.105 419 HB2 CYS 54 HB2 CYS 54 4.235 -5.263 -6.360 420 HB3 CYS 54 HB3 CYS 54 2.674 -5.995 -6.005 421 H GLU 55 H GLU 55 3.089 -6.104 -8.712 422 HA GLU 55 HA GLU 55 1.428 -6.438 -10.231 423 HB2 GLU 55 HB2 GLU 55 2.719 -8.927 -9.979 424 HB3 GLU 55 HB3 GLU 55 0.996 -9.274 -9.945 425 HG2 GLU 55 HG2 GLU 55 1.118 -7.539 -12.014 426 HG3 GLU 55 HG3 GLU 55 2.692 -8.322 -12.141 427 H TYR 56 H TYR 56 -0.844 -6.803 -10.389 428 HA TYR 56 HA TYR 56 -2.145 -7.502 -7.842 429 HB2 TYR 56 HB2 TYR 56 -2.054 -5.014 -8.282 430 HB3 TYR 56 HB3 TYR 56 -3.084 -5.297 -9.680 431 HD1 TYR 56 HD2 TYR 56 -5.364 -6.377 -9.277 432 HD2 TYR 56 HD1 TYR 56 -2.985 -4.747 -6.149 433 HE1 TYR 56 HE2 TYR 56 -7.357 -6.237 -7.842 434 HE2 TYR 56 HE1 TYR 56 -4.971 -4.604 -4.705 435 HH TYR 56 HH TYR 56 -7.197 -5.709 -4.521 Start of MODEL 18 1 H1 GLN 1 H GLN 1 0.308 2.131 -3.970 2 HA GLN 1 HA GLN 1 1.881 2.209 -2.136 3 HB2 GLN 1 HB2 GLN 1 1.070 -0.491 -3.128 4 HB3 GLN 1 HB3 GLN 1 2.160 -0.383 -1.753 5 HG2 GLN 1 HG2 GLN 1 0.520 0.182 -0.366 6 HG3 GLN 1 HG3 GLN 1 -0.127 1.379 -1.487 7 HE21 GLN 1 HE21 GLN 1 -1.948 0.932 -2.549 8 HE22 GLN 1 HE22 GLN 1 -2.758 -0.594 -2.537 9 H ASP 2 H ASP 2 3.966 2.536 -1.765 10 HA ASP 2 HA ASP 2 5.922 1.300 -3.583 11 HB2 ASP 2 HB2 ASP 2 6.388 3.705 -1.819 12 HB3 ASP 2 HB3 ASP 2 7.373 3.149 -3.169 13 H LYS 3 H LYS 3 5.261 -0.509 -1.864 14 HA LYS 3 HA LYS 3 7.152 -0.352 0.386 15 HB2 LYS 3 HB2 LYS 3 4.935 -0.745 1.184 16 HB3 LYS 3 HB3 LYS 3 4.655 -1.997 -0.018 17 HG2 LYS 3 HG2 LYS 3 5.609 -3.582 1.235 18 HG3 LYS 3 HG3 LYS 3 6.931 -2.526 1.738 19 HD2 LYS 3 HD2 LYS 3 4.175 -2.119 2.831 20 HD3 LYS 3 HD3 LYS 3 5.223 -3.369 3.505 21 HE2 LYS 3 HE2 LYS 3 6.383 -0.665 3.146 22 HE3 LYS 3 HE3 LYS 3 5.185 -0.864 4.424 23 HZ1 LYS 3 HZ1 LYS 3 6.823 -1.650 5.670 24 HZ2 LYS 3 HZ2 LYS 3 7.901 -1.694 4.368 25 HZ3 LYS 3 HZ3 LYS 3 6.885 -3.012 4.668 26 H CYS 4 H CYS 4 6.387 -2.000 -2.544 27 HA CYS 4 HA CYS 4 8.532 -3.950 -2.010 28 HB2 CYS 4 HB2 CYS 4 7.409 -5.344 -3.790 29 HB3 CYS 4 HB3 CYS 4 6.490 -5.153 -2.300 30 H LYS 5 H LYS 5 10.203 -4.092 -3.414 31 HA LYS 5 HA LYS 5 10.122 -3.108 -6.082 32 HB2 LYS 5 HB2 LYS 5 11.489 -1.180 -5.920 33 HB3 LYS 5 HB3 LYS 5 10.238 -0.984 -4.699 34 HG2 LYS 5 HG2 LYS 5 12.453 -2.324 -3.518 35 HG3 LYS 5 HG3 LYS 5 13.040 -0.896 -4.374 36 HD2 LYS 5 HD2 LYS 5 10.822 0.081 -3.128 37 HD3 LYS 5 HD3 LYS 5 11.394 -1.106 -1.954 38 HE2 LYS 5 HE2 LYS 5 13.020 1.133 -3.156 39 HE3 LYS 5 HE3 LYS 5 12.354 1.097 -1.525 40 HZ1 LYS 5 HZ1 LYS 5 13.717 -0.908 -1.118 41 HZ2 LYS 5 HZ2 LYS 5 14.641 0.473 -1.434 42 HZ3 LYS 5 HZ3 LYS 5 14.437 -0.702 -2.635 43 H LYS 6 H LYS 6 12.427 -3.039 -7.019 44 HA LYS 6 HA LYS 6 14.308 -4.764 -5.621 45 HB2 LYS 6 HB2 LYS 6 12.995 -5.498 -8.236 46 HB3 LYS 6 HB3 LYS 6 14.511 -6.211 -7.701 47 HG2 LYS 6 HG2 LYS 6 13.314 -6.950 -5.623 48 HG3 LYS 6 HG3 LYS 6 11.813 -6.429 -6.392 49 HD2 LYS 6 HD2 LYS 6 11.696 -8.424 -7.370 50 HD3 LYS 6 HD3 LYS 6 13.140 -8.003 -8.294 51 HE2 LYS 6 HE2 LYS 6 14.216 -8.745 -5.908 52 HE3 LYS 6 HE3 LYS 6 12.815 -9.811 -6.004 53 HZ1 LYS 6 HZ1 LYS 6 15.049 -9.580 -7.937 54 HZ2 LYS 6 HZ2 LYS 6 13.613 -10.401 -8.290 55 HZ3 LYS 6 HZ3 LYS 6 14.603 -10.933 -7.025 56 H VAL 7 H VAL 7 16.155 -3.684 -5.742 57 HA VAL 7 HA VAL 7 16.690 -1.711 -7.721 58 HB VAL 7 HB VAL 7 17.614 -1.705 -5.381 59 HG11 VAL 7 HG11 VAL 7 19.045 -3.255 -4.629 60 HG12 VAL 7 HG12 VAL 7 18.465 -4.233 -5.978 61 HG13 VAL 7 HG13 VAL 7 19.947 -3.292 -6.143 62 HG21 VAL 7 HG21 VAL 7 18.905 -0.129 -6.264 63 HG22 VAL 7 HG22 VAL 7 20.096 -1.363 -6.674 64 HG23 VAL 7 HG23 VAL 7 18.847 -0.922 -7.838 65 H TYR 8 H TYR 8 18.052 -1.751 -9.473 66 HA TYR 8 HA TYR 8 18.965 -4.420 -10.321 67 HB2 TYR 8 HB2 TYR 8 17.130 -3.205 -11.659 68 HB3 TYR 8 HB3 TYR 8 18.416 -2.131 -12.198 69 HD1 TYR 8 HD2 TYR 8 18.608 -5.797 -11.622 70 HD2 TYR 8 HD1 TYR 8 18.583 -2.645 -14.480 71 HE1 TYR 8 HE2 TYR 8 19.200 -7.402 -13.389 72 HE2 TYR 8 HE1 TYR 8 19.175 -4.242 -16.255 73 HH TYR 8 HH TYR 8 19.975 -7.583 -15.528 74 H GLU 9 H GLU 9 20.990 -4.178 -9.285 75 HA GLU 9 HA GLU 9 22.726 -1.999 -9.659 76 HB2 GLU 9 HB2 GLU 9 23.617 -4.840 -9.194 77 HB3 GLU 9 HB3 GLU 9 24.425 -3.358 -8.700 78 HG2 GLU 9 HG2 GLU 9 22.391 -2.921 -7.241 79 HG3 GLU 9 HG3 GLU 9 21.946 -4.598 -7.557 80 H ASN 10 H ASN 10 21.770 -4.475 -11.782 81 HA ASN 10 HA ASN 10 24.166 -4.302 -13.428 82 HB2 ASN 10 HB2 ASN 10 21.624 -5.836 -13.998 83 HB3 ASN 10 HB3 ASN 10 23.201 -6.066 -14.748 84 HD21 ASN 10 HD21 ASN 10 24.840 -5.989 -12.539 85 HD22 ASN 10 HD22 ASN 10 24.511 -7.358 -11.537 86 H TYR 11 H TYR 11 23.034 -1.851 -13.257 87 HA TYR 11 HA TYR 11 22.223 -1.385 -16.009 88 HB2 TYR 11 HB2 TYR 11 20.238 -1.586 -14.144 89 HB3 TYR 11 HB3 TYR 11 20.576 0.140 -14.105 90 HD1 TYR 11 HD1 TYR 11 20.128 -2.551 -16.668 91 HD2 TYR 11 HD2 TYR 11 19.312 1.459 -15.503 92 HE1 TYR 11 HE1 TYR 11 18.767 -2.245 -18.694 93 HE2 TYR 11 HE2 TYR 11 17.948 1.776 -17.525 94 HH TYR 11 HH TYR 11 17.791 -0.669 -20.037 95 HA PRO 12 HA PRO 12 24.924 2.052 -15.463 96 HB2 PRO 12 HB2 PRO 12 24.157 3.520 -17.614 97 HB3 PRO 12 HB3 PRO 12 25.131 2.052 -17.751 98 HG2 PRO 12 HG2 PRO 12 22.187 2.416 -18.149 99 HG3 PRO 12 HG3 PRO 12 23.339 1.479 -19.118 100 HD2 PRO 12 HD2 PRO 12 21.691 0.331 -17.303 101 HD3 PRO 12 HD3 PRO 12 23.311 -0.304 -17.658 102 H VAL 13 H VAL 13 24.695 3.595 -13.981 103 HA VAL 13 HA VAL 13 22.253 4.688 -13.155 104 HB VAL 13 HB VAL 13 23.502 6.190 -11.781 105 HG11 VAL 13 HG11 VAL 13 24.730 4.680 -10.518 106 HG12 VAL 13 HG12 VAL 13 23.649 3.630 -11.436 107 HG13 VAL 13 HG13 VAL 13 25.329 3.824 -11.938 108 HG21 VAL 13 HG21 VAL 13 25.797 5.624 -13.647 109 HG22 VAL 13 HG22 VAL 13 25.010 7.172 -13.337 110 HG23 VAL 13 HG23 VAL 13 25.988 6.413 -12.081 111 H SER 14 H SER 14 24.264 5.483 -15.806 112 HA SER 14 HA SER 14 23.643 8.223 -16.093 113 HB2 SER 14 HB2 SER 14 25.123 6.254 -17.531 114 HB3 SER 14 HB3 SER 14 24.031 7.049 -18.665 115 HG SER 14 HG SER 14 25.073 8.889 -18.406 116 H LYS 15 H LYS 15 22.269 5.345 -17.682 117 HA LYS 15 HA LYS 15 20.293 6.668 -19.150 118 HB2 LYS 15 HB2 LYS 15 20.885 3.910 -18.367 119 HB3 LYS 15 HB3 LYS 15 19.166 4.219 -18.569 120 HG2 LYS 15 HG2 LYS 15 19.852 5.283 -20.817 121 HG3 LYS 15 HG3 LYS 15 21.364 4.401 -20.587 122 HD2 LYS 15 HD2 LYS 15 19.213 2.627 -20.039 123 HD3 LYS 15 HD3 LYS 15 18.879 3.436 -21.572 124 HE2 LYS 15 HE2 LYS 15 21.402 1.951 -20.845 125 HE3 LYS 15 HE3 LYS 15 20.138 1.386 -21.936 126 HZ1 LYS 15 HZ1 LYS 15 21.492 2.273 -23.477 127 HZ2 LYS 15 HZ2 LYS 15 22.247 3.328 -22.391 128 HZ3 LYS 15 HZ3 LYS 15 20.739 3.726 -23.046 129 H CYS 16 H CYS 16 20.497 5.972 -15.790 130 HA CYS 16 HA CYS 16 17.685 6.096 -15.244 131 HB2 CYS 16 HB2 CYS 16 20.178 5.847 -13.671 132 HB3 CYS 16 HB3 CYS 16 18.831 6.625 -12.845 133 H GLN 17 H GLN 17 20.407 8.322 -14.666 134 HA GLN 17 HA GLN 17 18.843 10.450 -13.699 135 HB2 GLN 17 HB2 GLN 17 21.561 10.435 -15.015 136 HB3 GLN 17 HB3 GLN 17 20.844 11.857 -14.270 137 HG2 GLN 17 HG2 GLN 17 21.645 11.236 -12.311 138 HG3 GLN 17 HG3 GLN 17 20.704 9.748 -12.392 139 HE21 GLN 17 HE21 GLN 17 22.277 8.536 -11.371 140 HE22 GLN 17 HE22 GLN 17 23.764 8.106 -12.138 141 H LEU 18 H LEU 18 19.203 9.199 -16.832 142 HA LEU 18 HA LEU 18 18.827 11.577 -18.340 143 HB2 LEU 18 HB2 LEU 18 18.792 8.673 -18.851 144 HB3 LEU 18 HB3 LEU 18 17.848 9.660 -19.965 145 HG LEU 18 HG LEU 18 20.712 10.332 -19.402 146 HD11 LEU 18 HD11 LEU 18 19.744 7.920 -20.662 147 HD12 LEU 18 HD12 LEU 18 21.392 8.398 -20.257 148 HD13 LEU 18 HD13 LEU 18 20.678 8.908 -21.786 149 HD21 LEU 18 HD21 LEU 18 19.207 10.605 -21.978 150 HD22 LEU 18 HD22 LEU 18 20.611 11.507 -21.405 151 HD23 LEU 18 HD23 LEU 18 19.024 11.795 -20.689 152 H ARG 19 H ARG 19 17.111 12.640 -17.233 153 HA ARG 19 HA ARG 19 14.555 11.529 -16.839 154 HB2 ARG 19 HB2 ARG 19 15.824 14.094 -16.519 155 HB3 ARG 19 HB3 ARG 19 14.238 14.300 -17.249 156 HG2 ARG 19 HG2 ARG 19 13.381 12.792 -15.368 157 HG3 ARG 19 HG3 ARG 19 14.937 13.100 -14.596 158 HD2 ARG 19 HD2 ARG 19 13.862 15.575 -15.512 159 HD3 ARG 19 HD3 ARG 19 12.618 14.724 -14.596 160 HE ARG 19 HE ARG 19 14.932 14.560 -13.098 161 HH11 ARG 19 HH11 ARG 19 12.865 17.071 -14.338 162 HH12 ARG 19 HH12 ARG 19 13.203 18.170 -13.042 163 HH21 ARG 19 HH21 ARG 19 15.385 15.997 -11.386 164 HH22 ARG 19 HH22 ARG 19 14.637 17.558 -11.363 165 H ILE 20 H ILE 20 16.122 12.759 -19.646 166 HA ILE 20 HA ILE 20 13.738 13.339 -21.131 167 HB ILE 20 HB ILE 20 16.469 12.804 -22.287 168 HG12 ILE 20 HG12 ILE 20 15.366 15.396 -21.180 169 HG13 ILE 20 HG13 ILE 20 16.687 14.457 -20.492 170 HG21 ILE 20 HG21 ILE 20 15.736 14.196 -24.101 171 HG22 ILE 20 HG22 ILE 20 14.529 12.941 -23.830 172 HG23 ILE 20 HG23 ILE 20 14.238 14.583 -23.256 173 HD11 ILE 20 HD11 ILE 20 17.461 16.414 -21.749 174 HD12 ILE 20 HD12 ILE 20 18.052 14.899 -22.432 175 HD13 ILE 20 HD13 ILE 20 16.719 15.755 -23.206 176 H ALA 21 H ALA 21 15.737 10.545 -20.592 177 HA ALA 21 HA ALA 21 13.823 8.912 -22.062 178 HB1 ALA 21 HB1 ALA 21 15.678 9.536 -23.641 179 HB2 ALA 21 HB2 ALA 21 16.768 8.613 -22.605 180 HB3 ALA 21 HB3 ALA 21 15.426 7.805 -23.415 181 H ASN 22 H ASN 22 13.271 8.273 -19.900 182 HA ASN 22 HA ASN 22 15.228 6.954 -18.254 183 HB2 ASN 22 HB2 ASN 22 13.001 8.229 -17.594 184 HB3 ASN 22 HB3 ASN 22 12.296 6.627 -17.790 185 HD21 ASN 22 HD21 ASN 22 11.817 6.475 -15.606 186 HD22 ASN 22 HD22 ASN 22 13.037 6.207 -14.412 187 H GLN 23 H GLN 23 15.970 5.329 -19.721 188 HA GLN 23 HA GLN 23 14.219 3.357 -20.794 189 HB2 GLN 23 HB2 GLN 23 17.120 3.846 -20.714 190 HB3 GLN 23 HB3 GLN 23 16.666 2.148 -20.778 191 HG2 GLN 23 HG2 GLN 23 17.067 3.450 -22.974 192 HG3 GLN 23 HG3 GLN 23 15.703 2.339 -22.855 193 HE21 GLN 23 HE21 GLN 23 13.744 3.085 -23.309 194 HE22 GLN 23 HE22 GLN 23 13.325 4.749 -23.508 195 H CYS 24 H CYS 24 15.235 3.935 -17.681 196 HA CYS 24 HA CYS 24 15.712 1.323 -16.713 197 HB2 CYS 24 HB2 CYS 24 16.429 3.096 -15.329 198 HB3 CYS 24 HB3 CYS 24 14.861 3.893 -15.394 199 H ASN 25 H ASN 25 12.821 3.366 -16.247 200 HA ASN 25 HA ASN 25 11.168 1.386 -15.218 201 HB2 ASN 25 HB2 ASN 25 9.337 2.853 -15.651 202 HB3 ASN 25 HB3 ASN 25 10.722 3.876 -15.280 203 HD21 ASN 25 HD21 ASN 25 8.655 2.665 -17.823 204 HD22 ASN 25 HD22 ASN 25 9.033 3.891 -18.979 205 H TYR 26 H TYR 26 11.836 2.260 -18.565 206 HA TYR 26 HA TYR 26 9.849 0.568 -19.702 207 HB2 TYR 26 HB2 TYR 26 11.474 2.565 -20.659 208 HB3 TYR 26 HB3 TYR 26 12.192 1.128 -21.378 209 HD1 TYR 26 HD2 TYR 26 8.914 2.850 -20.951 210 HD2 TYR 26 HD1 TYR 26 11.285 0.234 -23.325 211 HE1 TYR 26 HE2 TYR 26 7.171 2.854 -22.685 212 HE2 TYR 26 HE1 TYR 26 9.548 0.232 -25.067 213 HH TYR 26 HH TYR 26 7.251 2.406 -25.375 214 H ASP 27 H ASP 27 13.239 0.177 -18.867 215 HA ASP 27 HA ASP 27 13.570 -2.342 -20.162 216 HB2 ASP 27 HB2 ASP 27 15.580 -1.207 -19.783 217 HB3 ASP 27 HB3 ASP 27 15.147 -0.798 -18.125 218 H CYS 28 H CYS 28 12.830 -1.347 -16.846 219 HA CYS 28 HA CYS 28 12.962 -3.793 -15.565 220 HB2 CYS 28 HB2 CYS 28 11.274 -1.350 -15.127 221 HB3 CYS 28 HB3 CYS 28 11.035 -2.780 -14.128 222 H LYS 29 H LYS 29 10.005 -2.304 -16.900 223 HA LYS 29 HA LYS 29 8.385 -4.577 -16.582 224 HB2 LYS 29 HB2 LYS 29 8.052 -2.411 -18.661 225 HB3 LYS 29 HB3 LYS 29 6.796 -3.457 -18.012 226 HG2 LYS 29 HG2 LYS 29 6.698 -2.324 -16.009 227 HG3 LYS 29 HG3 LYS 29 8.333 -1.680 -16.173 228 HD2 LYS 29 HD2 LYS 29 6.984 0.174 -16.575 229 HD3 LYS 29 HD3 LYS 29 7.385 -0.393 -18.198 230 HE2 LYS 29 HE2 LYS 29 5.199 -0.434 -18.615 231 HE3 LYS 29 HE3 LYS 29 5.092 -1.804 -17.512 232 HZ1 LYS 29 HZ1 LYS 29 4.120 -0.564 -15.942 233 HZ2 LYS 29 HZ2 LYS 29 3.756 0.499 -17.206 234 HZ3 LYS 29 HZ3 LYS 29 5.104 0.782 -16.224 235 H LEU 30 H LEU 30 10.606 -3.627 -19.097 236 HA LEU 30 HA LEU 30 9.748 -5.209 -21.209 237 HB2 LEU 30 HB2 LEU 30 12.001 -3.658 -20.588 238 HB3 LEU 30 HB3 LEU 30 12.617 -5.252 -21.020 239 HG LEU 30 HG LEU 30 10.717 -4.561 -22.985 240 HD11 LEU 30 HD11 LEU 30 10.792 -2.265 -22.471 241 HD12 LEU 30 HD12 LEU 30 11.870 -2.477 -23.850 242 HD13 LEU 30 HD13 LEU 30 12.539 -2.294 -22.229 243 HD21 LEU 30 HD21 LEU 30 12.688 -4.601 -24.453 244 HD22 LEU 30 HD22 LEU 30 12.666 -5.962 -23.331 245 HD23 LEU 30 HD23 LEU 30 13.733 -4.589 -23.032 246 H ASP 31 H ASP 31 12.094 -6.048 -18.662 247 HA ASP 31 HA ASP 31 11.731 -8.881 -19.370 248 HB2 ASP 31 HB2 ASP 31 14.044 -7.291 -18.531 249 HB3 ASP 31 HB3 ASP 31 13.871 -8.798 -17.636 250 H LYS 32 H LYS 32 12.632 -7.119 -16.405 251 HA LYS 32 HA LYS 32 11.729 -8.945 -14.567 252 HB2 LYS 32 HB2 LYS 32 11.533 -5.945 -14.256 253 HB3 LYS 32 HB3 LYS 32 11.634 -7.131 -12.961 254 HG2 LYS 32 HG2 LYS 32 13.875 -7.696 -14.402 255 HG3 LYS 32 HG3 LYS 32 13.744 -5.947 -14.599 256 HD2 LYS 32 HD2 LYS 32 13.500 -5.774 -12.112 257 HD3 LYS 32 HD3 LYS 32 13.868 -7.498 -12.016 258 HE2 LYS 32 HE2 LYS 32 16.041 -7.144 -12.969 259 HE3 LYS 32 HE3 LYS 32 15.671 -5.454 -13.305 260 HZ1 LYS 32 HZ1 LYS 32 15.298 -6.067 -10.553 261 HZ2 LYS 32 HZ2 LYS 32 16.276 -4.884 -11.263 262 HZ3 LYS 32 HZ3 LYS 32 16.870 -6.454 -11.047 263 H HIS 33 H HIS 33 9.868 -6.632 -16.415 264 HA HIS 33 HA HIS 33 7.629 -6.401 -16.754 265 HB2 HIS 33 HB2 HIS 33 7.967 -9.076 -16.534 266 HB3 HIS 33 HB3 HIS 33 6.872 -8.793 -15.184 267 HD1 HIS 33 HD1 HIS 33 7.042 -8.002 -18.902 268 HD2 HIS 33 HD2 HIS 33 4.264 -8.760 -15.906 269 HE1 HIS 33 HE1 HIS 33 4.809 -8.066 -20.056 270 H ALA 34 H ALA 34 8.925 -5.293 -14.408 271 HA ALA 34 HA ALA 34 7.422 -5.557 -12.069 272 HB1 ALA 34 HB1 ALA 34 9.083 -4.252 -11.392 273 HB2 ALA 34 HB2 ALA 34 9.487 -3.826 -13.055 274 HB3 ALA 34 HB3 ALA 34 8.279 -2.891 -12.174 275 H ARG 35 H ARG 35 6.417 -3.219 -11.254 276 HA ARG 35 HA ARG 35 3.919 -3.086 -12.657 277 HB2 ARG 35 HB2 ARG 35 4.699 -1.150 -10.507 278 HB3 ARG 35 HB3 ARG 35 3.125 -1.854 -10.850 279 HG2 ARG 35 HG2 ARG 35 5.483 -3.191 -9.551 280 HG3 ARG 35 HG3 ARG 35 3.924 -2.800 -8.822 281 HD2 ARG 35 HD2 ARG 35 3.204 -4.820 -9.398 282 HD3 ARG 35 HD3 ARG 35 3.355 -4.350 -11.090 283 HE ARG 35 HE ARG 35 5.783 -5.306 -9.831 284 HH11 ARG 35 HH11 ARG 35 2.978 -6.077 -11.743 285 HH12 ARG 35 HH12 ARG 35 3.674 -7.511 -12.422 286 HH21 ARG 35 HH21 ARG 35 6.710 -7.191 -10.719 287 HH22 ARG 35 HH22 ARG 35 5.796 -8.144 -11.838 288 H SER 36 H SER 36 6.377 -0.628 -11.846 289 HA SER 36 HA SER 36 5.708 0.746 -14.357 290 HB2 SER 36 HB2 SER 36 6.412 2.784 -12.583 291 HB3 SER 36 HB3 SER 36 4.793 2.430 -13.187 292 HG SER 36 HG SER 36 5.195 2.481 -10.793 293 H GLY 37 H GLY 37 8.005 0.671 -11.630 294 HA2 GLY 37 HA2 GLY 37 10.320 0.387 -11.759 295 HA3 GLY 37 HA3 GLY 37 10.217 0.533 -13.507 296 H GLU 38 H GLU 38 11.720 1.892 -11.104 297 HA GLU 38 HA GLU 38 11.889 4.462 -12.408 298 HB2 GLU 38 HB2 GLU 38 10.712 4.142 -9.664 299 HB3 GLU 38 HB3 GLU 38 11.575 5.609 -10.102 300 HG2 GLU 38 HG2 GLU 38 10.003 5.764 -12.087 301 HG3 GLU 38 HG3 GLU 38 9.049 4.514 -11.290 302 H CYS 39 H CYS 39 13.584 5.850 -11.363 303 HA CYS 39 HA CYS 39 15.729 4.129 -10.316 304 HB2 CYS 39 HB2 CYS 39 15.909 6.757 -11.805 305 HB3 CYS 39 HB3 CYS 39 17.284 5.838 -11.203 306 H PHE 40 H PHE 40 16.777 4.637 -8.455 307 HA PHE 40 HA PHE 40 16.308 7.200 -7.166 308 HB2 PHE 40 HB2 PHE 40 15.503 4.579 -5.889 309 HB3 PHE 40 HB3 PHE 40 15.589 6.120 -5.043 310 HD1 PHE 40 HD2 PHE 40 14.070 7.988 -5.778 311 HD2 PHE 40 HD1 PHE 40 13.607 3.975 -7.119 312 HE1 PHE 40 HE2 PHE 40 11.754 8.481 -6.442 313 HE2 PHE 40 HE1 PHE 40 11.289 4.462 -7.786 314 HZ PHE 40 HZ PHE 40 10.359 6.717 -7.447 315 H TYR 41 H TYR 41 17.703 7.554 -5.313 316 HA TYR 41 HA TYR 41 20.301 6.383 -5.731 317 HB2 TYR 41 HB2 TYR 41 19.249 8.530 -3.899 318 HB3 TYR 41 HB3 TYR 41 20.903 7.939 -3.777 319 HD1 TYR 41 HD2 TYR 41 22.483 8.294 -5.650 320 HD2 TYR 41 HD1 TYR 41 18.581 9.989 -5.671 321 HE1 TYR 41 HE2 TYR 41 23.175 9.849 -7.425 322 HE2 TYR 41 HE1 TYR 41 19.261 11.548 -7.447 323 HH TYR 41 HH TYR 41 20.897 12.216 -8.784 324 H ASP 42 H ASP 42 21.570 5.351 -4.110 325 HA ASP 42 HA ASP 42 19.952 3.710 -2.305 326 HB2 ASP 42 HB2 ASP 42 22.043 3.085 -4.024 327 HB3 ASP 42 HB3 ASP 42 22.789 3.058 -2.429 328 H GLU 43 H GLU 43 21.793 2.957 -0.432 329 HA GLU 43 HA GLU 43 21.674 5.072 1.419 330 HB2 GLU 43 HB2 GLU 43 23.443 2.624 1.534 331 HB3 GLU 43 HB3 GLU 43 22.971 3.636 2.892 332 HG2 GLU 43 HG2 GLU 43 20.675 2.955 2.665 333 HG3 GLU 43 HG3 GLU 43 21.056 2.041 1.206 334 H LYS 44 H LYS 44 24.184 3.994 -0.772 335 HA LYS 44 HA LYS 44 26.074 5.936 0.330 336 HB2 LYS 44 HB2 LYS 44 26.282 3.519 -1.375 337 HB3 LYS 44 HB3 LYS 44 27.432 4.808 -1.706 338 HG2 LYS 44 HG2 LYS 44 27.300 4.375 1.112 339 HG3 LYS 44 HG3 LYS 44 27.558 2.833 0.293 340 HD2 LYS 44 HD2 LYS 44 29.424 3.903 -0.974 341 HD3 LYS 44 HD3 LYS 44 29.215 5.340 0.029 342 HE2 LYS 44 HE2 LYS 44 29.543 2.721 1.393 343 HE3 LYS 44 HE3 LYS 44 30.963 3.438 0.633 344 HZ1 LYS 44 HZ1 LYS 44 29.323 4.505 2.843 345 HZ2 LYS 44 HZ2 LYS 44 30.298 5.527 1.913 346 HZ3 LYS 44 HZ3 LYS 44 30.996 4.260 2.789 347 H ARG 45 H ARG 45 23.616 6.630 -1.233 348 HA ARG 45 HA ARG 45 22.987 8.176 -2.778 349 HB2 ARG 45 HB2 ARG 45 25.914 8.915 -2.903 350 HB3 ARG 45 HB3 ARG 45 24.549 9.916 -3.380 351 HG2 ARG 45 HG2 ARG 45 24.331 9.032 -0.631 352 HG3 ARG 45 HG3 ARG 45 25.826 9.921 -0.931 353 HD2 ARG 45 HD2 ARG 45 24.328 11.637 -2.116 354 HD3 ARG 45 HD3 ARG 45 22.990 10.827 -1.304 355 HE ARG 45 HE ARG 45 24.847 11.392 0.657 356 HH11 ARG 45 HH11 ARG 45 22.934 13.186 -1.632 357 HH12 ARG 45 HH12 ARG 45 22.822 14.596 -0.632 358 HH21 ARG 45 HH21 ARG 45 24.707 13.242 1.983 359 HH22 ARG 45 HH22 ARG 45 23.832 14.627 1.424 360 H ASN 46 H ASN 46 23.484 5.568 -3.680 361 HA ASN 46 HA ASN 46 24.700 5.982 -6.325 362 HB2 ASN 46 HB2 ASN 46 23.950 3.242 -5.515 363 HB3 ASN 46 HB3 ASN 46 25.415 3.826 -6.298 364 HD21 ASN 46 HD21 ASN 46 27.200 3.985 -5.124 365 HD22 ASN 46 HD22 ASN 46 27.281 3.866 -3.402 366 H LEU 47 H LEU 47 23.241 6.546 -7.800 367 HA LEU 47 HA LEU 47 20.467 5.895 -7.579 368 HB2 LEU 47 HB2 LEU 47 22.035 7.711 -9.034 369 HB3 LEU 47 HB3 LEU 47 21.229 6.700 -10.231 370 HG LEU 47 HG LEU 47 19.826 8.252 -8.057 371 HD11 LEU 47 HD11 LEU 47 19.536 8.950 -10.915 372 HD12 LEU 47 HD12 LEU 47 21.047 9.407 -10.129 373 HD13 LEU 47 HD13 LEU 47 19.509 9.980 -9.484 374 HD21 LEU 47 HD21 LEU 47 17.874 7.381 -8.777 375 HD22 LEU 47 HD22 LEU 47 18.906 6.049 -9.298 376 HD23 LEU 47 HD23 LEU 47 18.409 7.285 -10.455 377 H GLN 48 H GLN 48 19.689 3.934 -7.962 378 HA GLN 48 HA GLN 48 20.772 2.422 -10.245 379 HB2 GLN 48 HB2 GLN 48 19.794 1.286 -7.620 380 HB3 GLN 48 HB3 GLN 48 20.346 0.347 -9.000 381 HG2 GLN 48 HG2 GLN 48 22.555 0.917 -8.678 382 HG3 GLN 48 HG3 GLN 48 22.155 2.375 -7.772 383 HE21 GLN 48 HE21 GLN 48 20.502 1.513 -5.850 384 HE22 GLN 48 HE22 GLN 48 21.291 0.371 -4.822 385 H CYS 49 H CYS 49 19.279 1.014 -11.323 386 HA CYS 49 HA CYS 49 16.676 2.175 -11.583 387 HB2 CYS 49 HB2 CYS 49 17.887 1.279 -13.525 388 HB3 CYS 49 HB3 CYS 49 17.824 -0.334 -12.824 389 H ILE 50 H ILE 50 15.547 1.880 -9.683 390 HA ILE 50 HA ILE 50 15.226 -0.803 -8.607 391 HB ILE 50 HB ILE 50 14.264 1.898 -7.689 392 HG12 ILE 50 HG12 ILE 50 15.624 0.435 -5.685 393 HG13 ILE 50 HG13 ILE 50 16.554 0.245 -7.168 394 HG21 ILE 50 HG21 ILE 50 12.454 0.450 -7.180 395 HG22 ILE 50 HG22 ILE 50 13.542 -0.821 -6.624 396 HG23 ILE 50 HG23 ILE 50 13.370 0.664 -5.688 397 HD11 ILE 50 HD11 ILE 50 17.451 2.228 -6.799 398 HD12 ILE 50 HD12 ILE 50 15.860 2.960 -7.006 399 HD13 ILE 50 HD13 ILE 50 16.407 2.478 -5.401 400 H CYS 51 H CYS 51 13.705 -2.121 -9.334 401 HA CYS 51 HA CYS 51 11.420 -1.032 -10.790 402 HB2 CYS 51 HB2 CYS 51 12.123 -3.944 -10.424 403 HB3 CYS 51 HB3 CYS 51 11.087 -3.230 -11.655 404 H ASP 52 H ASP 52 9.307 -2.293 -10.451 405 HA ASP 52 HA ASP 52 8.842 -2.549 -7.552 406 HB2 ASP 52 HB2 ASP 52 7.715 -0.612 -8.649 407 HB3 ASP 52 HB3 ASP 52 6.838 -1.747 -9.671 408 H TYR 53 H TYR 53 8.398 -4.531 -6.881 409 HA TYR 53 HA TYR 53 7.173 -6.420 -8.782 410 HB2 TYR 53 HB2 TYR 53 9.408 -6.699 -6.869 411 HB3 TYR 53 HB3 TYR 53 8.278 -8.047 -6.916 412 HD1 TYR 53 HD1 TYR 53 10.571 -6.006 -8.989 413 HD2 TYR 53 HD2 TYR 53 8.304 -9.595 -8.704 414 HE1 TYR 53 HE1 TYR 53 11.697 -6.869 -10.998 415 HE2 TYR 53 HE2 TYR 53 9.425 -10.469 -10.711 416 HH TYR 53 HH TYR 53 11.832 -9.937 -11.854 417 H CYS 54 H CYS 54 5.084 -6.631 -8.323 418 HA CYS 54 HA CYS 54 4.291 -7.445 -5.660 419 HB2 CYS 54 HB2 CYS 54 3.725 -4.763 -6.740 420 HB3 CYS 54 HB3 CYS 54 2.319 -5.609 -6.100 421 H GLU 55 H GLU 55 3.352 -6.658 -8.969 422 HA GLU 55 HA GLU 55 1.931 -7.669 -10.431 423 HB2 GLU 55 HB2 GLU 55 3.006 -9.751 -8.872 424 HB3 GLU 55 HB3 GLU 55 1.281 -10.071 -8.977 425 HG2 GLU 55 HG2 GLU 55 1.835 -9.464 -11.551 426 HG3 GLU 55 HG3 GLU 55 3.357 -10.195 -11.045 427 H TYR 56 H TYR 56 -0.308 -8.118 -10.785 428 HA TYR 56 HA TYR 56 -2.522 -7.719 -10.450 429 HB2 TYR 56 HB2 TYR 56 -1.611 -9.308 -8.202 430 HB3 TYR 56 HB3 TYR 56 -2.966 -8.281 -7.748 431 HD1 TYR 56 HD1 TYR 56 -1.989 -10.460 -10.632 432 HD2 TYR 56 HD2 TYR 56 -5.054 -9.223 -7.953 433 HE1 TYR 56 HE1 TYR 56 -3.540 -12.055 -11.680 434 HE2 TYR 56 HE2 TYR 56 -6.613 -10.815 -8.993 435 HH TYR 56 HH TYR 56 -6.913 -12.319 -10.596 Start of MODEL 19 1 H1 GLN 1 H GLN 1 1.703 -0.156 -1.088 2 HA GLN 1 HA GLN 1 0.580 -0.357 -3.804 3 HB2 GLN 1 HB2 GLN 1 1.240 2.132 -2.221 4 HB3 GLN 1 HB3 GLN 1 0.570 2.097 -3.846 5 HG2 GLN 1 HG2 GLN 1 -1.297 0.655 -2.656 6 HG3 GLN 1 HG3 GLN 1 -0.730 1.541 -1.241 7 HE21 GLN 1 HE21 GLN 1 -3.298 1.816 -2.199 8 HE22 GLN 1 HE22 GLN 1 -3.502 3.408 -2.839 9 H ASP 2 H ASP 2 3.415 0.349 -1.889 10 HA ASP 2 HA ASP 2 5.121 -0.137 -4.154 11 HB2 ASP 2 HB2 ASP 2 6.325 2.012 -4.022 12 HB3 ASP 2 HB3 ASP 2 4.647 2.231 -4.509 13 H LYS 3 H LYS 3 4.708 -1.418 -1.666 14 HA LYS 3 HA LYS 3 6.975 -0.707 0.012 15 HB2 LYS 3 HB2 LYS 3 6.129 -2.295 1.581 16 HB3 LYS 3 HB3 LYS 3 4.752 -1.391 0.965 17 HG2 LYS 3 HG2 LYS 3 4.462 -3.322 -0.689 18 HG3 LYS 3 HG3 LYS 3 5.561 -4.213 0.366 19 HD2 LYS 3 HD2 LYS 3 3.355 -2.829 1.736 20 HD3 LYS 3 HD3 LYS 3 2.866 -4.144 0.665 21 HE2 LYS 3 HE2 LYS 3 3.517 -5.654 2.158 22 HE3 LYS 3 HE3 LYS 3 5.137 -4.960 2.203 23 HZ1 LYS 3 HZ1 LYS 3 4.435 -4.738 4.368 24 HZ2 LYS 3 HZ2 LYS 3 2.833 -4.397 3.945 25 HZ3 LYS 3 HZ3 LYS 3 4.032 -3.222 3.734 26 H CYS 4 H CYS 4 6.502 -2.509 -2.727 27 HA CYS 4 HA CYS 4 8.761 -4.288 -2.074 28 HB2 CYS 4 HB2 CYS 4 6.926 -4.975 -4.316 29 HB3 CYS 4 HB3 CYS 4 7.805 -6.034 -3.218 30 H LYS 5 H LYS 5 10.463 -4.373 -3.467 31 HA LYS 5 HA LYS 5 10.373 -3.323 -6.119 32 HB2 LYS 5 HB2 LYS 5 11.696 -1.372 -5.878 33 HB3 LYS 5 HB3 LYS 5 10.427 -1.245 -4.667 34 HG2 LYS 5 HG2 LYS 5 12.648 -2.572 -3.493 35 HG3 LYS 5 HG3 LYS 5 13.228 -1.117 -4.307 36 HD2 LYS 5 HD2 LYS 5 10.978 -0.200 -3.069 37 HD3 LYS 5 HD3 LYS 5 11.554 -1.405 -1.915 38 HE2 LYS 5 HE2 LYS 5 13.539 0.484 -3.060 39 HE3 LYS 5 HE3 LYS 5 12.395 1.114 -1.876 40 HZ1 LYS 5 HZ1 LYS 5 13.190 -1.114 -0.661 41 HZ2 LYS 5 HZ2 LYS 5 13.940 0.385 -0.436 42 HZ3 LYS 5 HZ3 LYS 5 14.600 -0.738 -1.516 43 H LYS 6 H LYS 6 12.624 -3.248 -7.088 44 HA LYS 6 HA LYS 6 14.553 -4.954 -5.714 45 HB2 LYS 6 HB2 LYS 6 13.272 -5.616 -8.364 46 HB3 LYS 6 HB3 LYS 6 14.797 -6.320 -7.843 47 HG2 LYS 6 HG2 LYS 6 13.578 -7.127 -5.785 48 HG3 LYS 6 HG3 LYS 6 12.085 -6.652 -6.598 49 HD2 LYS 6 HD2 LYS 6 12.164 -8.803 -7.316 50 HD3 LYS 6 HD3 LYS 6 13.198 -8.093 -8.558 51 HE2 LYS 6 HE2 LYS 6 14.954 -9.275 -7.868 52 HE3 LYS 6 HE3 LYS 6 14.722 -8.751 -6.200 53 HZ1 LYS 6 HZ1 LYS 6 14.391 -11.278 -7.117 54 HZ2 LYS 6 HZ2 LYS 6 12.800 -10.707 -7.053 55 HZ3 LYS 6 HZ3 LYS 6 13.766 -10.676 -5.665 56 H VAL 7 H VAL 7 16.375 -3.825 -5.778 57 HA VAL 7 HA VAL 7 16.888 -1.778 -7.684 58 HB VAL 7 HB VAL 7 17.790 -1.850 -5.329 59 HG11 VAL 7 HG11 VAL 7 20.198 -3.283 -6.096 60 HG12 VAL 7 HG12 VAL 7 19.211 -3.427 -4.641 61 HG13 VAL 7 HG13 VAL 7 18.767 -4.313 -6.100 62 HG21 VAL 7 HG21 VAL 7 20.149 -1.500 -7.076 63 HG22 VAL 7 HG22 VAL 7 18.710 -0.572 -7.496 64 HG23 VAL 7 HG23 VAL 7 19.435 -0.398 -5.898 65 H TYR 8 H TYR 8 18.467 -1.696 -9.311 66 HA TYR 8 HA TYR 8 19.204 -4.333 -10.389 67 HB2 TYR 8 HB2 TYR 8 17.716 -2.557 -11.664 68 HB3 TYR 8 HB3 TYR 8 19.282 -1.857 -12.060 69 HD1 TYR 8 HD2 TYR 8 20.584 -4.769 -12.021 70 HD2 TYR 8 HD1 TYR 8 17.304 -2.975 -14.054 71 HE1 TYR 8 HE2 TYR 8 20.845 -6.385 -13.857 72 HE2 TYR 8 HE1 TYR 8 17.556 -4.587 -15.895 73 HH TYR 8 HH TYR 8 18.499 -6.846 -16.247 74 H GLU 9 H GLU 9 21.063 -4.329 -8.939 75 HA GLU 9 HA GLU 9 23.079 -2.464 -8.821 76 HB2 GLU 9 HB2 GLU 9 23.522 -5.451 -8.892 77 HB3 GLU 9 HB3 GLU 9 24.554 -4.246 -8.135 78 HG2 GLU 9 HG2 GLU 9 22.675 -3.706 -6.592 79 HG3 GLU 9 HG3 GLU 9 21.790 -5.066 -7.282 80 H ASN 10 H ASN 10 22.369 -4.750 -11.368 81 HA ASN 10 HA ASN 10 24.802 -3.998 -12.810 82 HB2 ASN 10 HB2 ASN 10 22.791 -5.954 -13.864 83 HB3 ASN 10 HB3 ASN 10 24.536 -5.914 -14.100 84 HD21 ASN 10 HD21 ASN 10 21.944 -6.891 -12.031 85 HD22 ASN 10 HD22 ASN 10 22.886 -7.867 -10.962 86 H TYR 11 H TYR 11 23.499 -1.803 -12.788 87 HA TYR 11 HA TYR 11 22.401 -1.541 -15.474 88 HB2 TYR 11 HB2 TYR 11 20.591 -1.824 -13.539 89 HB3 TYR 11 HB3 TYR 11 20.908 -0.105 -13.333 90 HD1 TYR 11 HD1 TYR 11 19.805 -2.655 -15.786 91 HD2 TYR 11 HD2 TYR 11 19.990 1.484 -14.818 92 HE1 TYR 11 HE1 TYR 11 18.273 -2.157 -17.646 93 HE2 TYR 11 HE2 TYR 11 18.459 1.993 -16.674 94 HH TYR 11 HH TYR 11 17.835 -0.005 -19.143 95 HA PRO 12 HA PRO 12 24.953 2.054 -15.390 96 HB2 PRO 12 HB2 PRO 12 23.935 3.308 -17.572 97 HB3 PRO 12 HB3 PRO 12 24.984 1.890 -17.682 98 HG2 PRO 12 HG2 PRO 12 22.000 2.058 -17.865 99 HG3 PRO 12 HG3 PRO 12 23.130 1.116 -18.854 100 HD2 PRO 12 HD2 PRO 12 21.700 0.020 -16.833 101 HD3 PRO 12 HD3 PRO 12 23.323 -0.549 -17.272 102 H VAL 13 H VAL 13 24.756 3.712 -14.034 103 HA VAL 13 HA VAL 13 22.264 4.747 -13.176 104 HB VAL 13 HB VAL 13 23.493 6.287 -11.837 105 HG11 VAL 13 HG11 VAL 13 25.348 3.937 -11.960 106 HG12 VAL 13 HG12 VAL 13 24.773 4.830 -10.550 107 HG13 VAL 13 HG13 VAL 13 23.680 3.751 -11.418 108 HG21 VAL 13 HG21 VAL 13 25.426 6.103 -14.005 109 HG22 VAL 13 HG22 VAL 13 25.149 7.401 -12.844 110 HG23 VAL 13 HG23 VAL 13 26.174 6.033 -12.410 111 H SER 14 H SER 14 24.258 5.461 -15.856 112 HA SER 14 HA SER 14 23.686 8.187 -16.240 113 HB2 SER 14 HB2 SER 14 25.039 6.117 -17.660 114 HB3 SER 14 HB3 SER 14 23.926 6.906 -18.778 115 HG SER 14 HG SER 14 24.900 8.923 -17.769 116 H LYS 15 H LYS 15 22.151 5.302 -17.658 117 HA LYS 15 HA LYS 15 20.161 6.634 -19.096 118 HB2 LYS 15 HB2 LYS 15 20.690 3.891 -18.223 119 HB3 LYS 15 HB3 LYS 15 18.975 4.254 -18.369 120 HG2 LYS 15 HG2 LYS 15 19.578 5.186 -20.684 121 HG3 LYS 15 HG3 LYS 15 21.093 4.303 -20.483 122 HD2 LYS 15 HD2 LYS 15 18.878 2.619 -19.780 123 HD3 LYS 15 HD3 LYS 15 18.624 3.307 -21.386 124 HE2 LYS 15 HE2 LYS 15 21.168 2.616 -21.668 125 HE3 LYS 15 HE3 LYS 15 20.736 1.455 -20.413 126 HZ1 LYS 15 HZ1 LYS 15 18.695 1.341 -22.250 127 HZ2 LYS 15 HZ2 LYS 15 19.921 0.197 -22.028 128 HZ3 LYS 15 HZ3 LYS 15 20.104 1.420 -23.183 129 H CYS 16 H CYS 16 20.382 5.812 -15.717 130 HA CYS 16 HA CYS 16 17.627 6.183 -15.097 131 HB2 CYS 16 HB2 CYS 16 20.147 5.826 -13.567 132 HB3 CYS 16 HB3 CYS 16 18.813 6.606 -12.723 133 H GLN 17 H GLN 17 20.467 8.273 -15.074 134 HA GLN 17 HA GLN 17 19.106 10.497 -13.891 135 HB2 GLN 17 HB2 GLN 17 21.757 10.204 -15.294 136 HB3 GLN 17 HB3 GLN 17 21.169 11.756 -14.712 137 HG2 GLN 17 HG2 GLN 17 21.378 9.389 -12.891 138 HG3 GLN 17 HG3 GLN 17 22.767 10.422 -13.225 139 HE21 GLN 17 HE21 GLN 17 22.691 10.820 -10.915 140 HE22 GLN 17 HE22 GLN 17 21.627 12.036 -10.304 141 H LEU 18 H LEU 18 19.129 9.142 -16.981 142 HA LEU 18 HA LEU 18 18.822 11.525 -18.523 143 HB2 LEU 18 HB2 LEU 18 18.631 8.618 -18.982 144 HB3 LEU 18 HB3 LEU 18 17.675 9.631 -20.062 145 HG LEU 18 HG LEU 18 20.572 10.242 -19.672 146 HD11 LEU 18 HD11 LEU 18 21.236 8.285 -20.473 147 HD12 LEU 18 HD12 LEU 18 20.355 8.636 -21.959 148 HD13 LEU 18 HD13 LEU 18 19.568 7.743 -20.657 149 HD21 LEU 18 HD21 LEU 18 18.997 10.347 -22.213 150 HD22 LEU 18 HD22 LEU 18 20.394 11.305 -21.720 151 HD23 LEU 18 HD23 LEU 18 18.814 11.612 -20.997 152 H ARG 19 H ARG 19 17.218 12.572 -17.134 153 HA ARG 19 HA ARG 19 14.643 11.597 -16.677 154 HB2 ARG 19 HB2 ARG 19 16.042 13.992 -16.208 155 HB3 ARG 19 HB3 ARG 19 14.606 14.447 -17.114 156 HG2 ARG 19 HG2 ARG 19 14.405 12.651 -14.730 157 HG3 ARG 19 HG3 ARG 19 14.496 14.404 -14.546 158 HD2 ARG 19 HD2 ARG 19 12.530 13.256 -16.468 159 HD3 ARG 19 HD3 ARG 19 12.179 13.171 -14.742 160 HE ARG 19 HE ARG 19 12.938 15.794 -15.390 161 HH11 ARG 19 HH11 ARG 19 10.326 13.554 -15.918 162 HH12 ARG 19 HH12 ARG 19 9.123 14.792 -16.075 163 HH21 ARG 19 HH21 ARG 19 11.365 17.432 -15.596 164 HH22 ARG 19 HH22 ARG 19 9.716 16.998 -15.893 165 H ILE 20 H ILE 20 16.095 12.861 -19.542 166 HA ILE 20 HA ILE 20 13.649 13.531 -20.878 167 HB ILE 20 HB ILE 20 16.300 12.965 -22.194 168 HG12 ILE 20 HG12 ILE 20 15.318 15.551 -20.968 169 HG13 ILE 20 HG13 ILE 20 16.652 14.568 -20.376 170 HG21 ILE 20 HG21 ILE 20 15.504 14.405 -23.937 171 HG22 ILE 20 HG22 ILE 20 14.273 13.184 -23.619 172 HG23 ILE 20 HG23 ILE 20 14.070 14.823 -23.001 173 HD11 ILE 20 HD11 ILE 20 17.405 16.535 -21.624 174 HD12 ILE 20 HD12 ILE 20 17.917 15.027 -22.382 175 HD13 ILE 20 HD13 ILE 20 16.564 15.937 -23.053 176 H ALA 21 H ALA 21 15.599 10.676 -20.515 177 HA ALA 21 HA ALA 21 13.566 9.125 -21.907 178 HB1 ALA 21 HB1 ALA 21 16.449 8.724 -22.650 179 HB2 ALA 21 HB2 ALA 21 15.011 8.063 -23.429 180 HB3 ALA 21 HB3 ALA 21 15.375 9.784 -23.563 181 H ASN 22 H ASN 22 13.146 8.430 -19.735 182 HA ASN 22 HA ASN 22 15.182 7.031 -18.260 183 HB2 ASN 22 HB2 ASN 22 12.996 8.319 -17.443 184 HB3 ASN 22 HB3 ASN 22 12.296 6.709 -17.589 185 HD21 ASN 22 HD21 ASN 22 11.988 6.503 -15.389 186 HD22 ASN 22 HD22 ASN 22 13.296 6.265 -14.286 187 H GLN 23 H GLN 23 15.835 5.381 -19.682 188 HA GLN 23 HA GLN 23 13.951 3.476 -20.711 189 HB2 GLN 23 HB2 GLN 23 16.715 4.110 -21.105 190 HB3 GLN 23 HB3 GLN 23 16.570 2.392 -20.757 191 HG2 GLN 23 HG2 GLN 23 14.774 3.655 -22.776 192 HG3 GLN 23 HG3 GLN 23 16.434 3.244 -23.204 193 HE21 GLN 23 HE21 GLN 23 13.429 2.175 -23.480 194 HE22 GLN 23 HE22 GLN 23 13.682 0.466 -23.454 195 H CYS 24 H CYS 24 15.106 3.995 -17.679 196 HA CYS 24 HA CYS 24 15.741 1.383 -16.792 197 HB2 CYS 24 HB2 CYS 24 16.457 3.180 -15.423 198 HB3 CYS 24 HB3 CYS 24 14.843 3.881 -15.364 199 H ASN 25 H ASN 25 12.800 3.306 -16.157 200 HA ASN 25 HA ASN 25 11.273 1.266 -15.067 201 HB2 ASN 25 HB2 ASN 25 9.363 2.653 -15.436 202 HB3 ASN 25 HB3 ASN 25 10.717 3.730 -15.110 203 HD21 ASN 25 HD21 ASN 25 11.271 5.214 -16.584 204 HD22 ASN 25 HD22 ASN 25 10.531 5.384 -18.136 205 H TYR 26 H TYR 26 11.753 2.157 -18.442 206 HA TYR 26 HA TYR 26 9.796 0.369 -19.485 207 HB2 TYR 26 HB2 TYR 26 11.200 2.450 -20.528 208 HB3 TYR 26 HB3 TYR 26 12.070 1.088 -21.226 209 HD1 TYR 26 HD2 TYR 26 10.766 -0.615 -22.569 210 HD2 TYR 26 HD1 TYR 26 9.113 3.123 -21.386 211 HE1 TYR 26 HE2 TYR 26 9.031 -0.842 -24.297 212 HE2 TYR 26 HE1 TYR 26 7.372 2.906 -23.110 213 HH TYR 26 HH TYR 26 6.373 0.416 -24.411 214 H ASP 27 H ASP 27 13.277 0.172 -18.933 215 HA ASP 27 HA ASP 27 13.673 -2.321 -20.210 216 HB2 ASP 27 HB2 ASP 27 15.552 -0.857 -19.761 217 HB3 ASP 27 HB3 ASP 27 15.253 -0.949 -18.027 218 H CYS 28 H CYS 28 12.859 -1.413 -16.901 219 HA CYS 28 HA CYS 28 13.191 -3.868 -15.643 220 HB2 CYS 28 HB2 CYS 28 11.371 -1.533 -15.145 221 HB3 CYS 28 HB3 CYS 28 11.232 -2.988 -14.163 222 H LYS 29 H LYS 29 10.136 -2.535 -16.920 223 HA LYS 29 HA LYS 29 8.659 -4.908 -16.612 224 HB2 LYS 29 HB2 LYS 29 8.154 -2.729 -18.643 225 HB3 LYS 29 HB3 LYS 29 6.977 -3.858 -17.985 226 HG2 LYS 29 HG2 LYS 29 6.768 -2.721 -16.027 227 HG3 LYS 29 HG3 LYS 29 8.424 -2.112 -16.075 228 HD2 LYS 29 HD2 LYS 29 6.912 -0.273 -16.416 229 HD3 LYS 29 HD3 LYS 29 7.755 -0.601 -17.931 230 HE2 LYS 29 HE2 LYS 29 5.128 -1.914 -17.419 231 HE3 LYS 29 HE3 LYS 29 5.156 -0.213 -17.882 232 HZ1 LYS 29 HZ1 LYS 29 5.645 -2.550 -19.477 233 HZ2 LYS 29 HZ2 LYS 29 6.845 -1.371 -19.657 234 HZ3 LYS 29 HZ3 LYS 29 5.226 -0.982 -19.957 235 H LEU 30 H LEU 30 10.776 -3.780 -19.140 236 HA LEU 30 HA LEU 30 9.981 -5.351 -21.279 237 HB2 LEU 30 HB2 LEU 30 11.790 -3.559 -21.171 238 HB3 LEU 30 HB3 LEU 30 12.861 -4.835 -20.595 239 HG LEU 30 HG LEU 30 11.448 -5.454 -23.096 240 HD11 LEU 30 HD11 LEU 30 12.983 -4.048 -24.443 241 HD12 LEU 30 HD12 LEU 30 13.464 -3.219 -22.963 242 HD13 LEU 30 HD13 LEU 30 11.796 -3.118 -23.527 243 HD21 LEU 30 HD21 LEU 30 13.729 -6.192 -23.718 244 HD22 LEU 30 HD22 LEU 30 13.143 -6.924 -22.224 245 HD23 LEU 30 HD23 LEU 30 14.310 -5.603 -22.160 246 H ASP 31 H ASP 31 12.403 -6.147 -18.788 247 HA ASP 31 HA ASP 31 12.130 -8.978 -19.546 248 HB2 ASP 31 HB2 ASP 31 14.412 -7.317 -18.794 249 HB3 ASP 31 HB3 ASP 31 14.326 -8.814 -17.869 250 H LYS 32 H LYS 32 13.031 -7.200 -16.588 251 HA LYS 32 HA LYS 32 12.284 -9.097 -14.746 252 HB2 LYS 32 HB2 LYS 32 11.897 -6.131 -14.335 253 HB3 LYS 32 HB3 LYS 32 12.226 -7.348 -13.108 254 HG2 LYS 32 HG2 LYS 32 14.379 -7.656 -14.717 255 HG3 LYS 32 HG3 LYS 32 14.060 -5.931 -14.906 256 HD2 LYS 32 HD2 LYS 32 14.005 -5.757 -12.408 257 HD3 LYS 32 HD3 LYS 32 14.547 -7.436 -12.339 258 HE2 LYS 32 HE2 LYS 32 16.601 -6.900 -13.410 259 HE3 LYS 32 HE3 LYS 32 16.037 -5.281 -13.822 260 HZ1 LYS 32 HZ1 LYS 32 17.560 -5.823 -11.708 261 HZ2 LYS 32 HZ2 LYS 32 16.030 -5.931 -10.995 262 HZ3 LYS 32 HZ3 LYS 32 16.499 -4.507 -11.779 263 H HIS 33 H HIS 33 10.258 -6.917 -16.559 264 HA HIS 33 HA HIS 33 8.001 -6.785 -16.819 265 HB2 HIS 33 HB2 HIS 33 8.465 -9.429 -16.626 266 HB3 HIS 33 HB3 HIS 33 7.445 -9.214 -15.206 267 HD1 HIS 33 HD1 HIS 33 6.957 -10.464 -18.302 268 HD2 HIS 33 HD2 HIS 33 5.176 -7.239 -16.381 269 HE1 HIS 33 HE1 HIS 33 4.756 -10.117 -19.470 270 H ALA 34 H ALA 34 9.311 -5.599 -14.519 271 HA ALA 34 HA ALA 34 7.906 -5.915 -12.130 272 HB1 ALA 34 HB1 ALA 34 8.606 -3.193 -12.340 273 HB2 ALA 34 HB2 ALA 34 9.475 -4.480 -11.503 274 HB3 ALA 34 HB3 ALA 34 9.851 -4.112 -13.186 275 H ARG 35 H ARG 35 6.776 -3.659 -11.289 276 HA ARG 35 HA ARG 35 4.250 -3.659 -12.668 277 HB2 ARG 35 HB2 ARG 35 4.898 -1.772 -10.435 278 HB3 ARG 35 HB3 ARG 35 3.381 -2.581 -10.803 279 HG2 ARG 35 HG2 ARG 35 5.843 -3.773 -9.558 280 HG3 ARG 35 HG3 ARG 35 4.253 -3.555 -8.824 281 HD2 ARG 35 HD2 ARG 35 3.718 -5.604 -9.495 282 HD3 ARG 35 HD3 ARG 35 3.832 -5.044 -11.164 283 HE ARG 35 HE ARG 35 6.363 -5.775 -10.016 284 HH11 ARG 35 HH11 ARG 35 3.527 -6.935 -11.669 285 HH12 ARG 35 HH12 ARG 35 4.323 -8.323 -12.333 286 HH21 ARG 35 HH21 ARG 35 7.422 -7.599 -10.885 287 HH22 ARG 35 HH22 ARG 35 6.538 -8.700 -11.886 288 H SER 36 H SER 36 6.560 -1.096 -11.757 289 HA SER 36 HA SER 36 5.771 0.359 -14.186 290 HB2 SER 36 HB2 SER 36 6.403 2.340 -12.323 291 HB3 SER 36 HB3 SER 36 4.793 1.931 -12.916 292 HG SER 36 HG SER 36 4.352 1.210 -11.004 293 H GLY 37 H GLY 37 8.127 0.268 -11.512 294 HA2 GLY 37 HA2 GLY 37 10.448 0.145 -11.677 295 HA3 GLY 37 HA3 GLY 37 10.307 0.317 -13.421 296 H GLU 38 H GLU 38 11.811 1.707 -11.060 297 HA GLU 38 HA GLU 38 11.783 4.312 -12.300 298 HB2 GLU 38 HB2 GLU 38 10.689 3.851 -9.547 299 HB3 GLU 38 HB3 GLU 38 11.503 5.363 -9.925 300 HG2 GLU 38 HG2 GLU 38 9.900 5.575 -11.874 301 HG3 GLU 38 HG3 GLU 38 8.998 4.249 -11.142 302 H CYS 39 H CYS 39 13.434 5.770 -11.280 303 HA CYS 39 HA CYS 39 15.690 4.155 -10.292 304 HB2 CYS 39 HB2 CYS 39 15.690 6.713 -11.907 305 HB3 CYS 39 HB3 CYS 39 17.137 5.944 -11.262 306 H PHE 40 H PHE 40 16.776 4.767 -8.484 307 HA PHE 40 HA PHE 40 16.275 7.353 -7.268 308 HB2 PHE 40 HB2 PHE 40 15.557 4.780 -5.847 309 HB3 PHE 40 HB3 PHE 40 15.570 6.379 -5.111 310 HD1 PHE 40 HD1 PHE 40 13.966 8.116 -5.961 311 HD2 PHE 40 HD2 PHE 40 13.696 4.007 -7.040 312 HE1 PHE 40 HE1 PHE 40 11.629 8.455 -6.654 313 HE2 PHE 40 HE2 PHE 40 11.359 4.340 -7.736 314 HZ PHE 40 HZ PHE 40 10.323 6.566 -7.545 315 H TYR 41 H TYR 41 17.671 7.753 -5.401 316 HA TYR 41 HA TYR 41 20.298 6.693 -5.854 317 HB2 TYR 41 HB2 TYR 41 19.180 8.703 -3.905 318 HB3 TYR 41 HB3 TYR 41 20.866 8.198 -3.865 319 HD1 TYR 41 HD2 TYR 41 18.313 10.003 -5.798 320 HD2 TYR 41 HD1 TYR 41 22.423 8.932 -5.548 321 HE1 TYR 41 HE2 TYR 41 18.848 11.678 -7.517 322 HE2 TYR 41 HE1 TYR 41 22.969 10.605 -7.266 323 HH TYR 41 HH TYR 41 21.256 13.054 -8.058 324 H ASP 42 H ASP 42 21.628 5.658 -4.283 325 HA ASP 42 HA ASP 42 20.099 3.882 -2.527 326 HB2 ASP 42 HB2 ASP 42 22.032 3.279 -4.325 327 HB3 ASP 42 HB3 ASP 42 23.006 3.451 -2.868 328 H GLU 43 H GLU 43 21.994 3.124 -0.713 329 HA GLU 43 HA GLU 43 21.877 5.238 1.175 330 HB2 GLU 43 HB2 GLU 43 23.603 2.772 1.376 331 HB3 GLU 43 HB3 GLU 43 22.958 3.742 2.692 332 HG2 GLU 43 HG2 GLU 43 20.667 3.056 1.957 333 HG3 GLU 43 HG3 GLU 43 21.436 1.935 0.835 334 H LYS 44 H LYS 44 24.129 4.406 -1.254 335 HA LYS 44 HA LYS 44 26.226 6.046 -0.009 336 HB2 LYS 44 HB2 LYS 44 26.233 3.792 -1.936 337 HB3 LYS 44 HB3 LYS 44 27.440 5.045 -2.194 338 HG2 LYS 44 HG2 LYS 44 27.411 4.375 0.571 339 HG3 LYS 44 HG3 LYS 44 27.506 2.887 -0.374 340 HD2 LYS 44 HD2 LYS 44 29.242 5.067 -1.310 341 HD3 LYS 44 HD3 LYS 44 29.640 4.433 0.289 342 HE2 LYS 44 HE2 LYS 44 29.790 2.188 -0.607 343 HE3 LYS 44 HE3 LYS 44 29.282 2.759 -2.195 344 HZ1 LYS 44 HZ1 LYS 44 31.825 3.321 -0.788 345 HZ2 LYS 44 HZ2 LYS 44 31.314 4.221 -2.125 346 HZ3 LYS 44 HZ3 LYS 44 31.606 2.562 -2.284 347 H ARG 45 H ARG 45 23.710 6.905 -1.488 348 HA ARG 45 HA ARG 45 23.099 8.616 -2.857 349 HB2 ARG 45 HB2 ARG 45 26.027 9.332 -3.014 350 HB3 ARG 45 HB3 ARG 45 24.647 10.394 -3.263 351 HG2 ARG 45 HG2 ARG 45 25.211 9.056 -0.634 352 HG3 ARG 45 HG3 ARG 45 25.866 10.635 -1.071 353 HD2 ARG 45 HD2 ARG 45 23.952 11.628 -0.535 354 HD3 ARG 45 HD3 ARG 45 23.056 10.568 -1.622 355 HE ARG 45 HE ARG 45 23.707 9.276 0.836 356 HH11 ARG 45 HH11 ARG 45 21.496 11.516 -0.653 357 HH12 ARG 45 HH12 ARG 45 20.210 11.189 0.460 358 HH21 ARG 45 HH21 ARG 45 22.021 8.837 2.308 359 HH22 ARG 45 HH22 ARG 45 20.510 9.666 2.145 360 H ASN 46 H ASN 46 23.722 6.033 -3.958 361 HA ASN 46 HA ASN 46 24.706 6.773 -6.633 362 HB2 ASN 46 HB2 ASN 46 24.453 3.955 -5.593 363 HB3 ASN 46 HB3 ASN 46 25.406 4.533 -6.957 364 HD21 ASN 46 HD21 ASN 46 26.169 2.997 -4.567 365 HD22 ASN 46 HD22 ASN 46 27.440 3.900 -3.823 366 H LEU 47 H LEU 47 23.175 7.045 -8.104 367 HA LEU 47 HA LEU 47 20.479 6.234 -7.698 368 HB2 LEU 47 HB2 LEU 47 21.895 7.952 -9.439 369 HB3 LEU 47 HB3 LEU 47 20.997 6.818 -10.446 370 HG LEU 47 HG LEU 47 19.737 8.491 -8.277 371 HD11 LEU 47 HD11 LEU 47 20.697 9.296 -10.841 372 HD12 LEU 47 HD12 LEU 47 19.846 10.246 -9.624 373 HD13 LEU 47 HD13 LEU 47 18.934 9.349 -10.838 374 HD21 LEU 47 HD21 LEU 47 18.210 7.452 -10.576 375 HD22 LEU 47 HD22 LEU 47 17.756 7.592 -8.878 376 HD23 LEU 47 HD23 LEU 47 18.771 6.252 -9.412 377 H GLN 48 H GLN 48 19.633 4.297 -8.030 378 HA GLN 48 HA GLN 48 20.831 2.568 -10.092 379 HB2 GLN 48 HB2 GLN 48 19.766 1.752 -7.384 380 HB3 GLN 48 HB3 GLN 48 20.233 0.625 -8.650 381 HG2 GLN 48 HG2 GLN 48 22.519 1.737 -8.574 382 HG3 GLN 48 HG3 GLN 48 21.978 2.481 -7.071 383 HE21 GLN 48 HE21 GLN 48 21.529 1.148 -5.281 384 HE22 GLN 48 HE22 GLN 48 22.195 -0.441 -5.158 385 H CYS 49 H CYS 49 19.379 1.024 -11.068 386 HA CYS 49 HA CYS 49 16.767 2.164 -11.515 387 HB2 CYS 49 HB2 CYS 49 18.149 1.226 -13.361 388 HB3 CYS 49 HB3 CYS 49 17.963 -0.373 -12.648 389 H ILE 50 H ILE 50 15.689 1.873 -9.548 390 HA ILE 50 HA ILE 50 15.374 -0.798 -8.469 391 HB ILE 50 HB ILE 50 14.308 1.889 -7.623 392 HG12 ILE 50 HG12 ILE 50 15.723 0.373 -5.627 393 HG13 ILE 50 HG13 ILE 50 16.686 0.462 -7.097 394 HG21 ILE 50 HG21 ILE 50 13.662 -0.834 -6.516 395 HG22 ILE 50 HG22 ILE 50 13.417 0.662 -5.617 396 HG23 ILE 50 HG23 ILE 50 12.540 0.385 -7.122 397 HD11 ILE 50 HD11 ILE 50 16.085 2.511 -5.133 398 HD12 ILE 50 HD12 ILE 50 17.379 2.426 -6.328 399 HD13 ILE 50 HD13 ILE 50 15.791 3.038 -6.790 400 H CYS 51 H CYS 51 13.950 -2.164 -9.299 401 HA CYS 51 HA CYS 51 11.652 -1.158 -10.785 402 HB2 CYS 51 HB2 CYS 51 12.521 -4.028 -10.401 403 HB3 CYS 51 HB3 CYS 51 11.390 -3.410 -11.601 404 H ASP 52 H ASP 52 9.596 -2.568 -10.500 405 HA ASP 52 HA ASP 52 9.054 -2.780 -7.611 406 HB2 ASP 52 HB2 ASP 52 7.855 -0.946 -8.847 407 HB3 ASP 52 HB3 ASP 52 7.039 -2.193 -9.785 408 H TYR 53 H TYR 53 8.609 -4.741 -6.873 409 HA TYR 53 HA TYR 53 7.503 -6.732 -8.742 410 HB2 TYR 53 HB2 TYR 53 9.873 -6.871 -6.989 411 HB3 TYR 53 HB3 TYR 53 8.822 -8.282 -6.940 412 HD1 TYR 53 HD2 TYR 53 11.035 -6.252 -9.053 413 HD2 TYR 53 HD1 TYR 53 8.610 -9.742 -8.850 414 HE1 TYR 53 HE2 TYR 53 12.060 -7.078 -11.130 415 HE2 TYR 53 HE1 TYR 53 9.629 -10.578 -10.926 416 HH TYR 53 HH TYR 53 12.337 -9.726 -12.118 417 H CYS 54 H CYS 54 5.439 -6.952 -8.146 418 HA CYS 54 HA CYS 54 4.671 -8.260 -5.825 419 HB2 CYS 54 HB2 CYS 54 5.072 -5.434 -5.426 420 HB3 CYS 54 HB3 CYS 54 3.375 -5.839 -5.190 421 H GLU 55 H GLU 55 3.110 -5.389 -7.221 422 HA GLU 55 HA GLU 55 1.209 -5.126 -8.442 423 HB2 GLU 55 HB2 GLU 55 2.540 -7.286 -9.614 424 HB3 GLU 55 HB3 GLU 55 0.880 -7.834 -9.425 425 HG2 GLU 55 HG2 GLU 55 0.494 -5.349 -10.434 426 HG3 GLU 55 HG3 GLU 55 2.008 -5.807 -11.214 427 H TYR 56 H TYR 56 -1.054 -5.560 -8.389 428 HA TYR 56 HA TYR 56 -1.888 -7.472 -6.313 429 HB2 TYR 56 HB2 TYR 56 -3.647 -5.762 -5.672 430 HB3 TYR 56 HB3 TYR 56 -1.992 -5.359 -5.228 431 HD1 TYR 56 HD1 TYR 56 -4.569 -4.733 -7.841 432 HD2 TYR 56 HD2 TYR 56 -1.063 -3.320 -5.887 433 HE1 TYR 56 HE1 TYR 56 -4.783 -2.586 -9.022 434 HE2 TYR 56 HE2 TYR 56 -1.268 -1.169 -7.062 435 HH TYR 56 HH TYR 56 -2.829 -0.641 -9.672 Start of MODEL 20 1 H1 GLN 1 H GLN 1 0.716 0.392 1.187 2 HA GLN 1 HA GLN 1 1.405 -0.739 -1.238 3 HB2 GLN 1 HB2 GLN 1 0.386 1.940 -0.415 4 HB3 GLN 1 HB3 GLN 1 0.936 1.734 -2.073 5 HG2 GLN 1 HG2 GLN 1 -1.252 1.210 -2.341 6 HG3 GLN 1 HG3 GLN 1 -0.622 -0.390 -1.954 7 HE21 GLN 1 HE21 GLN 1 -1.803 -1.460 -0.556 8 HE22 GLN 1 HE22 GLN 1 -2.750 -0.781 0.719 9 H ASP 2 H ASP 2 2.983 -0.412 -2.755 10 HA ASP 2 HA ASP 2 5.038 0.091 -3.590 11 HB2 ASP 2 HB2 ASP 2 3.927 2.473 -3.120 12 HB3 ASP 2 HB3 ASP 2 5.259 2.580 -1.972 13 H LYS 3 H LYS 3 4.999 -1.602 -1.402 14 HA LYS 3 HA LYS 3 7.359 -0.774 0.152 15 HB2 LYS 3 HB2 LYS 3 6.668 -2.396 1.837 16 HB3 LYS 3 HB3 LYS 3 5.366 -1.261 1.507 17 HG2 LYS 3 HG2 LYS 3 4.320 -2.946 0.035 18 HG3 LYS 3 HG3 LYS 3 5.590 -4.085 0.488 19 HD2 LYS 3 HD2 LYS 3 4.660 -4.505 2.491 20 HD3 LYS 3 HD3 LYS 3 4.245 -2.810 2.760 21 HE2 LYS 3 HE2 LYS 3 2.220 -2.998 1.647 22 HE3 LYS 3 HE3 LYS 3 2.731 -4.428 0.751 23 HZ1 LYS 3 HZ1 LYS 3 2.420 -4.507 3.685 24 HZ2 LYS 3 HZ2 LYS 3 2.398 -5.789 2.583 25 HZ3 LYS 3 HZ3 LYS 3 1.087 -4.724 2.666 26 H CYS 4 H CYS 4 6.755 -2.359 -2.546 27 HA CYS 4 HA CYS 4 8.853 -4.363 -2.049 28 HB2 CYS 4 HB2 CYS 4 7.590 -5.634 -3.977 29 HB3 CYS 4 HB3 CYS 4 7.054 -5.786 -2.307 30 H LYS 5 H LYS 5 10.464 -4.470 -3.525 31 HA LYS 5 HA LYS 5 10.242 -3.488 -6.187 32 HB2 LYS 5 HB2 LYS 5 11.626 -1.547 -6.069 33 HB3 LYS 5 HB3 LYS 5 10.362 -1.353 -4.862 34 HG2 LYS 5 HG2 LYS 5 12.601 -2.646 -3.658 35 HG3 LYS 5 HG3 LYS 5 13.151 -1.200 -4.509 36 HD2 LYS 5 HD2 LYS 5 10.886 -0.305 -3.269 37 HD3 LYS 5 HD3 LYS 5 11.514 -1.461 -2.092 38 HE2 LYS 5 HE2 LYS 5 13.025 0.850 -3.308 39 HE3 LYS 5 HE3 LYS 5 12.384 0.775 -1.668 40 HZ1 LYS 5 HZ1 LYS 5 14.650 0.238 -1.511 41 HZ2 LYS 5 HZ2 LYS 5 14.592 -0.817 -2.832 42 HZ3 LYS 5 HZ3 LYS 5 13.840 -1.241 -1.377 43 H LYS 6 H LYS 6 12.514 -3.353 -7.214 44 HA LYS 6 HA LYS 6 14.438 -5.121 -5.911 45 HB2 LYS 6 HB2 LYS 6 13.128 -5.664 -8.573 46 HB3 LYS 6 HB3 LYS 6 14.657 -6.396 -8.104 47 HG2 LYS 6 HG2 LYS 6 13.431 -7.249 -6.043 48 HG3 LYS 6 HG3 LYS 6 11.947 -6.791 -6.882 49 HD2 LYS 6 HD2 LYS 6 12.980 -8.177 -8.845 50 HD3 LYS 6 HD3 LYS 6 13.936 -8.916 -7.558 51 HE2 LYS 6 HE2 LYS 6 11.045 -8.682 -7.038 52 HE3 LYS 6 HE3 LYS 6 11.501 -9.792 -8.329 53 HZ1 LYS 6 HZ1 LYS 6 13.172 -10.676 -6.607 54 HZ2 LYS 6 HZ2 LYS 6 11.546 -11.117 -6.457 55 HZ3 LYS 6 HZ3 LYS 6 12.188 -9.906 -5.466 56 H VAL 7 H VAL 7 16.262 -3.992 -5.928 57 HA VAL 7 HA VAL 7 16.790 -1.898 -7.787 58 HB VAL 7 HB VAL 7 18.603 -3.249 -5.784 59 HG11 VAL 7 HG11 VAL 7 20.204 -2.303 -7.078 60 HG12 VAL 7 HG12 VAL 7 19.094 -1.126 -7.783 61 HG13 VAL 7 HG13 VAL 7 19.750 -0.863 -6.167 62 HG21 VAL 7 HG21 VAL 7 17.800 -0.476 -5.347 63 HG22 VAL 7 HG22 VAL 7 16.450 -1.611 -5.336 64 HG23 VAL 7 HG23 VAL 7 17.807 -1.844 -4.234 65 H TYR 8 H TYR 8 18.137 -1.833 -9.535 66 HA TYR 8 HA TYR 8 19.172 -4.428 -10.469 67 HB2 TYR 8 HB2 TYR 8 17.308 -3.280 -11.793 68 HB3 TYR 8 HB3 TYR 8 18.514 -2.079 -12.241 69 HD1 TYR 8 HD1 TYR 8 18.995 -5.745 -11.876 70 HD2 TYR 8 HD2 TYR 8 18.750 -2.442 -14.547 71 HE1 TYR 8 HE1 TYR 8 19.740 -7.190 -13.722 72 HE2 TYR 8 HE2 TYR 8 19.493 -3.878 -16.400 73 HH TYR 8 HH TYR 8 21.009 -6.267 -16.382 74 H GLU 9 H GLU 9 21.141 -4.048 -9.292 75 HA GLU 9 HA GLU 9 22.795 -1.819 -9.605 76 HB2 GLU 9 HB2 GLU 9 23.719 -4.661 -9.166 77 HB3 GLU 9 HB3 GLU 9 24.577 -3.190 -8.732 78 HG2 GLU 9 HG2 GLU 9 22.685 -2.658 -7.178 79 HG3 GLU 9 HG3 GLU 9 22.057 -4.272 -7.505 80 H ASN 10 H ASN 10 22.042 -4.337 -11.790 81 HA ASN 10 HA ASN 10 24.439 -3.982 -13.392 82 HB2 ASN 10 HB2 ASN 10 22.056 -5.795 -13.516 83 HB3 ASN 10 HB3 ASN 10 23.052 -5.573 -14.951 84 HD21 ASN 10 HD21 ASN 10 23.833 -5.811 -11.502 85 HD22 ASN 10 HD22 ASN 10 24.929 -7.137 -11.667 86 H TYR 11 H TYR 11 23.248 -1.583 -13.200 87 HA TYR 11 HA TYR 11 22.431 -1.089 -15.946 88 HB2 TYR 11 HB2 TYR 11 20.447 -1.372 -14.098 89 HB3 TYR 11 HB3 TYR 11 20.752 0.359 -14.004 90 HD1 TYR 11 HD1 TYR 11 20.504 -2.192 -16.736 91 HD2 TYR 11 HD2 TYR 11 19.323 1.628 -15.281 92 HE1 TYR 11 HE1 TYR 11 19.142 -1.850 -18.756 93 HE2 TYR 11 HE2 TYR 11 17.958 1.980 -17.296 94 HH TYR 11 HH TYR 11 18.153 -0.103 -20.035 95 HA PRO 12 HA PRO 12 25.061 2.393 -15.335 96 HB2 PRO 12 HB2 PRO 12 24.280 3.870 -17.475 97 HB3 PRO 12 HB3 PRO 12 25.287 2.425 -17.622 98 HG2 PRO 12 HG2 PRO 12 22.338 2.731 -18.039 99 HG3 PRO 12 HG3 PRO 12 23.518 1.830 -19.010 100 HD2 PRO 12 HD2 PRO 12 21.880 0.625 -17.221 101 HD3 PRO 12 HD3 PRO 12 23.516 0.030 -17.571 102 H VAL 13 H VAL 13 24.821 3.964 -13.887 103 HA VAL 13 HA VAL 13 22.353 4.973 -13.024 104 HB VAL 13 HB VAL 13 23.566 6.514 -11.668 105 HG11 VAL 13 HG11 VAL 13 24.839 5.047 -10.418 106 HG12 VAL 13 HG12 VAL 13 23.838 3.943 -11.363 107 HG13 VAL 13 HG13 VAL 13 25.509 4.249 -11.840 108 HG21 VAL 13 HG21 VAL 13 25.195 7.684 -12.646 109 HG22 VAL 13 HG22 VAL 13 26.248 6.310 -12.308 110 HG23 VAL 13 HG23 VAL 13 25.452 6.446 -13.876 111 H SER 14 H SER 14 24.282 5.813 -15.715 112 HA SER 14 HA SER 14 23.564 8.534 -16.000 113 HB2 SER 14 HB2 SER 14 25.109 6.621 -17.443 114 HB3 SER 14 HB3 SER 14 23.974 7.363 -18.570 115 HG SER 14 HG SER 14 24.784 9.369 -18.036 116 H LYS 15 H LYS 15 22.285 5.596 -17.559 117 HA LYS 15 HA LYS 15 20.249 6.832 -19.019 118 HB2 LYS 15 HB2 LYS 15 20.893 4.089 -18.155 119 HB3 LYS 15 HB3 LYS 15 19.189 4.378 -18.483 120 HG2 LYS 15 HG2 LYS 15 19.893 5.318 -20.710 121 HG3 LYS 15 HG3 LYS 15 21.510 4.701 -20.364 122 HD2 LYS 15 HD2 LYS 15 19.515 2.674 -19.888 123 HD3 LYS 15 HD3 LYS 15 19.377 3.316 -21.526 124 HE2 LYS 15 HE2 LYS 15 21.769 2.894 -21.879 125 HE3 LYS 15 HE3 LYS 15 21.888 2.234 -20.249 126 HZ1 LYS 15 HZ1 LYS 15 21.375 0.796 -22.475 127 HZ2 LYS 15 HZ2 LYS 15 19.822 1.020 -21.843 128 HZ3 LYS 15 HZ3 LYS 15 21.024 0.297 -20.897 129 H CYS 16 H CYS 16 20.453 5.987 -15.658 130 HA CYS 16 HA CYS 16 17.662 6.079 -15.096 131 HB2 CYS 16 HB2 CYS 16 20.171 5.932 -13.530 132 HB3 CYS 16 HB3 CYS 16 18.785 6.632 -12.700 133 H GLN 17 H GLN 17 20.261 8.449 -15.080 134 HA GLN 17 HA GLN 17 18.648 10.520 -13.910 135 HB2 GLN 17 HB2 GLN 17 21.341 10.586 -15.275 136 HB3 GLN 17 HB3 GLN 17 20.581 11.990 -14.538 137 HG2 GLN 17 HG2 GLN 17 20.963 9.525 -12.912 138 HG3 GLN 17 HG3 GLN 17 22.343 10.575 -13.231 139 HE21 GLN 17 HE21 GLN 17 22.507 11.097 -11.041 140 HE22 GLN 17 HE22 GLN 17 21.400 12.181 -10.277 141 H LEU 18 H LEU 18 18.961 9.193 -17.005 142 HA LEU 18 HA LEU 18 18.506 11.509 -18.583 143 HB2 LEU 18 HB2 LEU 18 18.521 8.593 -18.986 144 HB3 LEU 18 HB3 LEU 18 17.496 9.503 -20.095 145 HG LEU 18 HG LEU 18 20.365 10.270 -19.690 146 HD11 LEU 18 HD11 LEU 18 19.492 7.764 -20.682 147 HD12 LEU 18 HD12 LEU 18 21.124 8.430 -20.657 148 HD13 LEU 18 HD13 LEU 18 20.076 8.716 -22.047 149 HD21 LEU 18 HD21 LEU 18 20.138 11.393 -21.708 150 HD22 LEU 18 HD22 LEU 18 18.574 11.653 -20.934 151 HD23 LEU 18 HD23 LEU 18 18.741 10.435 -22.200 152 H ARG 19 H ARG 19 16.807 12.612 -17.521 153 HA ARG 19 HA ARG 19 14.280 11.486 -16.985 154 HB2 ARG 19 HB2 ARG 19 15.531 14.038 -16.746 155 HB3 ARG 19 HB3 ARG 19 13.988 14.259 -17.559 156 HG2 ARG 19 HG2 ARG 19 14.249 12.701 -15.007 157 HG3 ARG 19 HG3 ARG 19 13.993 14.447 -15.035 158 HD2 ARG 19 HD2 ARG 19 11.988 13.957 -16.533 159 HD3 ARG 19 HD3 ARG 19 12.182 12.273 -16.046 160 HE ARG 19 HE ARG 19 12.033 14.121 -13.845 161 HH11 ARG 19 HH11 ARG 19 10.224 12.139 -16.062 162 HH12 ARG 19 HH12 ARG 19 8.842 12.011 -15.024 163 HH21 ARG 19 HH21 ARG 19 10.220 13.960 -12.470 164 HH22 ARG 19 HH22 ARG 19 8.841 13.048 -12.982 165 H ILE 20 H ILE 20 15.735 12.685 -19.884 166 HA ILE 20 HA ILE 20 13.272 13.076 -21.313 167 HB ILE 20 HB ILE 20 16.000 12.718 -22.541 168 HG12 ILE 20 HG12 ILE 20 14.759 15.245 -21.429 169 HG13 ILE 20 HG13 ILE 20 16.160 14.406 -20.772 170 HG21 ILE 20 HG21 ILE 20 13.956 12.715 -23.991 171 HG22 ILE 20 HG22 ILE 20 13.662 14.373 -23.467 172 HG23 ILE 20 HG23 ILE 20 15.128 13.979 -24.364 173 HD11 ILE 20 HD11 ILE 20 16.659 14.954 -23.509 174 HD12 ILE 20 HD12 ILE 20 16.080 16.430 -22.736 175 HD13 ILE 20 HD13 ILE 20 17.483 15.585 -22.083 176 H ALA 21 H ALA 21 15.518 10.459 -20.811 177 HA ALA 21 HA ALA 21 13.685 8.652 -22.180 178 HB1 ALA 21 HB1 ALA 21 15.284 7.680 -23.605 179 HB2 ALA 21 HB2 ALA 21 15.480 9.422 -23.803 180 HB3 ALA 21 HB3 ALA 21 16.619 8.514 -22.810 181 H ASN 22 H ASN 22 13.264 8.030 -19.978 182 HA ASN 22 HA ASN 22 15.367 6.898 -18.380 183 HB2 ASN 22 HB2 ASN 22 13.025 7.981 -17.703 184 HB3 ASN 22 HB3 ASN 22 12.508 6.300 -17.795 185 HD21 ASN 22 HD21 ASN 22 12.116 6.285 -15.568 186 HD22 ASN 22 HD22 ASN 22 13.406 6.192 -14.423 187 H GLN 23 H GLN 23 16.230 5.286 -19.753 188 HA GLN 23 HA GLN 23 14.675 3.193 -20.861 189 HB2 GLN 23 HB2 GLN 23 17.525 3.844 -20.595 190 HB3 GLN 23 HB3 GLN 23 17.184 2.119 -20.608 191 HG2 GLN 23 HG2 GLN 23 17.664 3.331 -22.831 192 HG3 GLN 23 HG3 GLN 23 16.348 2.161 -22.753 193 HE21 GLN 23 HE21 GLN 23 14.391 2.788 -23.370 194 HE22 GLN 23 HE22 GLN 23 13.912 4.418 -23.683 195 H CYS 24 H CYS 24 15.522 3.867 -17.691 196 HA CYS 24 HA CYS 24 15.979 1.275 -16.660 197 HB2 CYS 24 HB2 CYS 24 16.620 3.091 -15.285 198 HB3 CYS 24 HB3 CYS 24 15.038 3.852 -15.414 199 H ASN 25 H ASN 25 13.049 3.302 -16.423 200 HA ASN 25 HA ASN 25 11.360 1.352 -15.394 201 HB2 ASN 25 HB2 ASN 25 10.515 3.554 -17.285 202 HB3 ASN 25 HB3 ASN 25 9.529 2.765 -16.057 203 HD21 ASN 25 HD21 ASN 25 9.535 5.386 -15.959 204 HD22 ASN 25 HD22 ASN 25 10.512 5.987 -14.667 205 H TYR 26 H TYR 26 12.213 2.072 -18.735 206 HA TYR 26 HA TYR 26 10.311 0.286 -19.889 207 HB2 TYR 26 HB2 TYR 26 11.886 2.293 -20.867 208 HB3 TYR 26 HB3 TYR 26 12.735 0.868 -21.456 209 HD1 TYR 26 HD1 TYR 26 10.454 -0.964 -21.954 210 HD2 TYR 26 HD2 TYR 26 10.903 3.184 -22.791 211 HE1 TYR 26 HE1 TYR 26 8.839 -1.167 -23.798 212 HE2 TYR 26 HE2 TYR 26 9.289 2.992 -24.637 213 HH TYR 26 HH TYR 26 8.379 1.291 -26.117 214 H ASP 27 H ASP 27 13.706 0.045 -18.970 215 HA ASP 27 HA ASP 27 14.169 -2.505 -20.115 216 HB2 ASP 27 HB2 ASP 27 16.124 -1.324 -19.645 217 HB3 ASP 27 HB3 ASP 27 15.565 -0.842 -18.046 218 H CYS 28 H CYS 28 13.169 -1.447 -16.891 219 HA CYS 28 HA CYS 28 13.296 -3.857 -15.535 220 HB2 CYS 28 HB2 CYS 28 11.478 -1.477 -15.270 221 HB3 CYS 28 HB3 CYS 28 11.287 -2.879 -14.223 222 H LYS 29 H LYS 29 10.396 -2.490 -17.103 223 HA LYS 29 HA LYS 29 8.840 -4.824 -16.833 224 HB2 LYS 29 HB2 LYS 29 8.520 -2.680 -18.937 225 HB3 LYS 29 HB3 LYS 29 7.277 -3.769 -18.334 226 HG2 LYS 29 HG2 LYS 29 7.042 -2.623 -16.353 227 HG3 LYS 29 HG3 LYS 29 8.663 -1.930 -16.439 228 HD2 LYS 29 HD2 LYS 29 7.264 -0.124 -16.914 229 HD3 LYS 29 HD3 LYS 29 7.788 -0.674 -18.508 230 HE2 LYS 29 HE2 LYS 29 5.658 -0.898 -19.092 231 HE3 LYS 29 HE3 LYS 29 5.478 -2.149 -17.863 232 HZ1 LYS 29 HZ1 LYS 29 5.060 -0.288 -16.255 233 HZ2 LYS 29 HZ2 LYS 29 3.853 -0.524 -17.415 234 HZ3 LYS 29 HZ3 LYS 29 4.950 0.752 -17.584 235 H LEU 30 H LEU 30 11.156 -3.799 -19.224 236 HA LEU 30 HA LEU 30 10.480 -5.375 -21.394 237 HB2 LEU 30 HB2 LEU 30 12.687 -3.833 -20.576 238 HB3 LEU 30 HB3 LEU 30 13.323 -5.413 -21.025 239 HG LEU 30 HG LEU 30 11.549 -4.654 -23.078 240 HD11 LEU 30 HD11 LEU 30 13.073 -2.537 -23.666 241 HD12 LEU 30 HD12 LEU 30 13.028 -2.378 -21.910 242 HD13 LEU 30 HD13 LEU 30 11.524 -2.407 -22.831 243 HD21 LEU 30 HD21 LEU 30 13.540 -6.034 -23.327 244 HD22 LEU 30 HD22 LEU 30 14.564 -4.647 -22.954 245 HD23 LEU 30 HD23 LEU 30 13.593 -4.656 -24.426 246 H ASP 31 H ASP 31 12.676 -6.228 -18.718 247 HA ASP 31 HA ASP 31 12.337 -9.058 -19.454 248 HB2 ASP 31 HB2 ASP 31 14.632 -7.482 -18.570 249 HB3 ASP 31 HB3 ASP 31 14.419 -8.958 -17.633 250 H LYS 32 H LYS 32 13.129 -7.288 -16.462 251 HA LYS 32 HA LYS 32 12.172 -9.113 -14.651 252 HB2 LYS 32 HB2 LYS 32 11.886 -6.128 -14.309 253 HB3 LYS 32 HB3 LYS 32 12.076 -7.336 -13.045 254 HG2 LYS 32 HG2 LYS 32 14.318 -7.757 -14.514 255 HG3 LYS 32 HG3 LYS 32 14.088 -6.018 -14.718 256 HD2 LYS 32 HD2 LYS 32 13.946 -5.776 -12.268 257 HD3 LYS 32 HD3 LYS 32 14.244 -7.508 -12.096 258 HE2 LYS 32 HE2 LYS 32 16.420 -7.259 -13.145 259 HE3 LYS 32 HE3 LYS 32 16.118 -5.543 -13.412 260 HZ1 LYS 32 HZ1 LYS 32 17.365 -6.606 -11.255 261 HZ2 LYS 32 HZ2 LYS 32 15.801 -6.337 -10.671 262 HZ3 LYS 32 HZ3 LYS 32 16.690 -5.056 -11.329 263 H HIS 33 H HIS 33 10.366 -6.890 -16.633 264 HA HIS 33 HA HIS 33 8.140 -6.671 -17.049 265 HB2 HIS 33 HB2 HIS 33 8.468 -9.318 -16.804 266 HB3 HIS 33 HB3 HIS 33 7.403 -9.052 -15.426 267 HD1 HIS 33 HD1 HIS 33 7.415 -7.965 -19.083 268 HD2 HIS 33 HD2 HIS 33 4.828 -9.362 -16.147 269 HE1 HIS 33 HE1 HIS 33 5.167 -8.143 -20.197 270 H ALA 34 H ALA 34 9.337 -5.480 -14.696 271 HA ALA 34 HA ALA 34 7.774 -5.687 -12.396 272 HB1 ALA 34 HB1 ALA 34 8.565 -3.318 -11.958 273 HB2 ALA 34 HB2 ALA 34 9.819 -4.529 -12.225 274 HB3 ALA 34 HB3 ALA 34 9.385 -3.410 -13.517 275 H ARG 35 H ARG 35 6.668 -3.379 -11.679 276 HA ARG 35 HA ARG 35 4.231 -3.335 -13.205 277 HB2 ARG 35 HB2 ARG 35 4.803 -1.381 -11.013 278 HB3 ARG 35 HB3 ARG 35 3.294 -2.184 -11.426 279 HG2 ARG 35 HG2 ARG 35 5.668 -3.350 -9.999 280 HG3 ARG 35 HG3 ARG 35 4.040 -3.091 -9.369 281 HD2 ARG 35 HD2 ARG 35 3.515 -5.156 -9.994 282 HD3 ARG 35 HD3 ARG 35 3.752 -4.672 -11.673 283 HE ARG 35 HE ARG 35 6.209 -5.344 -10.383 284 HH11 ARG 35 HH11 ARG 35 3.397 -6.675 -11.945 285 HH12 ARG 35 HH12 ARG 35 4.197 -8.130 -12.437 286 HH21 ARG 35 HH21 ARG 35 7.274 -7.256 -11.024 287 HH22 ARG 35 HH22 ARG 35 6.403 -8.461 -11.911 288 H SER 36 H SER 36 6.549 -0.801 -12.230 289 HA SER 36 HA SER 36 5.990 0.570 -14.768 290 HB2 SER 36 HB2 SER 36 6.487 2.618 -12.935 291 HB3 SER 36 HB3 SER 36 4.930 2.207 -13.655 292 HG SER 36 HG SER 36 4.327 1.254 -11.849 293 H GLY 37 H GLY 37 8.101 0.533 -11.897 294 HA2 GLY 37 HA2 GLY 37 10.435 0.300 -11.911 295 HA3 GLY 37 HA3 GLY 37 10.430 0.579 -13.646 296 H GLU 38 H GLU 38 11.914 1.780 -11.261 297 HA GLU 38 HA GLU 38 11.906 4.475 -12.272 298 HB2 GLU 38 HB2 GLU 38 10.740 3.803 -9.603 299 HB3 GLU 38 HB3 GLU 38 11.643 5.300 -9.783 300 HG2 GLU 38 HG2 GLU 38 9.694 6.183 -10.392 301 HG3 GLU 38 HG3 GLU 38 9.986 5.393 -11.941 302 H CYS 39 H CYS 39 13.567 5.830 -11.132 303 HA CYS 39 HA CYS 39 15.775 4.120 -10.189 304 HB2 CYS 39 HB2 CYS 39 15.885 6.688 -11.783 305 HB3 CYS 39 HB3 CYS 39 17.294 5.858 -11.133 306 H PHE 40 H PHE 40 16.861 4.684 -8.365 307 HA PHE 40 HA PHE 40 16.408 7.276 -7.134 308 HB2 PHE 40 HB2 PHE 40 15.661 4.698 -5.737 309 HB3 PHE 40 HB3 PHE 40 15.697 6.289 -4.984 310 HD1 PHE 40 HD1 PHE 40 14.107 8.051 -5.795 311 HD2 PHE 40 HD2 PHE 40 13.793 3.967 -6.951 312 HE1 PHE 40 HE1 PHE 40 11.774 8.427 -6.479 313 HE2 PHE 40 HE2 PHE 40 11.460 4.337 -7.638 314 HZ PHE 40 HZ PHE 40 10.447 6.570 -7.403 315 H TYR 41 H TYR 41 17.788 7.607 -5.219 316 HA TYR 41 HA TYR 41 20.409 6.518 -5.697 317 HB2 TYR 41 HB2 TYR 41 19.322 8.563 -3.771 318 HB3 TYR 41 HB3 TYR 41 20.993 8.015 -3.697 319 HD1 TYR 41 HD2 TYR 41 18.538 9.938 -5.617 320 HD2 TYR 41 HD1 TYR 41 22.581 8.626 -5.430 321 HE1 TYR 41 HE2 TYR 41 19.146 11.585 -7.340 322 HE2 TYR 41 HE1 TYR 41 23.201 10.270 -7.151 323 HH TYR 41 HH TYR 41 22.408 11.718 -8.684 324 H ASP 42 H ASP 42 21.724 5.478 -4.109 325 HA ASP 42 HA ASP 42 20.162 3.724 -2.359 326 HB2 ASP 42 HB2 ASP 42 22.071 3.069 -4.144 327 HB3 ASP 42 HB3 ASP 42 23.073 3.280 -2.711 328 H GLU 43 H GLU 43 22.027 2.949 -0.527 329 HA GLU 43 HA GLU 43 21.911 5.047 1.367 330 HB2 GLU 43 HB2 GLU 43 23.653 2.587 1.530 331 HB3 GLU 43 HB3 GLU 43 23.041 3.553 2.865 332 HG2 GLU 43 HG2 GLU 43 20.753 2.862 2.288 333 HG3 GLU 43 HG3 GLU 43 21.405 1.847 1.003 334 H LYS 44 H LYS 44 24.270 4.108 -0.976 335 HA LYS 44 HA LYS 44 26.292 5.852 0.240 336 HB2 LYS 44 HB2 LYS 44 26.375 3.556 -1.645 337 HB3 LYS 44 HB3 LYS 44 27.588 4.811 -1.863 338 HG2 LYS 44 HG2 LYS 44 27.337 4.047 0.914 339 HG3 LYS 44 HG3 LYS 44 27.709 2.664 -0.119 340 HD2 LYS 44 HD2 LYS 44 29.793 3.387 -0.520 341 HD3 LYS 44 HD3 LYS 44 29.264 5.054 -0.760 342 HE2 LYS 44 HE2 LYS 44 30.479 5.336 1.144 343 HE3 LYS 44 HE3 LYS 44 28.926 4.923 1.868 344 HZ1 LYS 44 HZ1 LYS 44 29.733 2.567 1.892 345 HZ2 LYS 44 HZ2 LYS 44 30.552 3.615 2.937 346 HZ3 LYS 44 HZ3 LYS 44 31.267 3.148 1.477 347 H ARG 45 H ARG 45 23.809 6.667 -1.284 348 HA ARG 45 HA ARG 45 23.208 8.330 -2.714 349 HB2 ARG 45 HB2 ARG 45 26.147 9.021 -2.824 350 HB3 ARG 45 HB3 ARG 45 24.794 10.077 -3.209 351 HG2 ARG 45 HG2 ARG 45 24.584 9.019 -0.528 352 HG3 ARG 45 HG3 ARG 45 26.107 9.874 -0.781 353 HD2 ARG 45 HD2 ARG 45 24.402 11.590 -1.961 354 HD3 ARG 45 HD3 ARG 45 23.335 10.890 -0.744 355 HE ARG 45 HE ARG 45 24.490 12.032 0.863 356 HH11 ARG 45 HH11 ARG 45 26.407 11.922 -2.041 357 HH12 ARG 45 HH12 ARG 45 27.627 12.991 -1.432 358 HH21 ARG 45 HH21 ARG 45 26.089 13.441 1.675 359 HH22 ARG 45 HH22 ARG 45 27.445 13.854 0.682 360 H ASN 46 H ASN 46 23.707 5.752 -3.761 361 HA ASN 46 HA ASN 46 24.823 6.356 -6.417 362 HB2 ASN 46 HB2 ASN 46 24.313 3.587 -5.342 363 HB3 ASN 46 HB3 ASN 46 25.366 4.068 -6.669 364 HD21 ASN 46 HD21 ASN 46 25.924 2.510 -4.252 365 HD22 ASN 46 HD22 ASN 46 27.220 3.328 -3.454 366 H LEU 47 H LEU 47 23.321 6.799 -7.881 367 HA LEU 47 HA LEU 47 20.579 6.078 -7.558 368 HB2 LEU 47 HB2 LEU 47 22.048 7.899 -9.102 369 HB3 LEU 47 HB3 LEU 47 21.240 6.837 -10.253 370 HG LEU 47 HG LEU 47 19.840 8.380 -8.070 371 HD11 LEU 47 HD11 LEU 47 20.921 9.323 -10.494 372 HD12 LEU 47 HD12 LEU 47 19.839 10.163 -9.383 373 HD13 LEU 47 HD13 LEU 47 19.175 9.220 -10.717 374 HD21 LEU 47 HD21 LEU 47 18.950 6.150 -9.252 375 HD22 LEU 47 HD22 LEU 47 18.437 7.334 -10.454 376 HD23 LEU 47 HD23 LEU 47 17.889 7.480 -8.783 377 H GLN 48 H GLN 48 19.746 4.148 -7.960 378 HA GLN 48 HA GLN 48 20.893 2.549 -10.152 379 HB2 GLN 48 HB2 GLN 48 19.985 1.695 -7.416 380 HB3 GLN 48 HB3 GLN 48 20.048 0.554 -8.752 381 HG2 GLN 48 HG2 GLN 48 22.344 0.611 -8.874 382 HG3 GLN 48 HG3 GLN 48 22.450 2.197 -8.112 383 HE21 GLN 48 HE21 GLN 48 21.090 1.945 -5.836 384 HE22 GLN 48 HE22 GLN 48 21.790 0.738 -4.818 385 H CYS 49 H CYS 49 19.360 0.936 -11.059 386 HA CYS 49 HA CYS 49 16.789 2.210 -11.501 387 HB2 CYS 49 HB2 CYS 49 18.023 1.397 -13.440 388 HB3 CYS 49 HB3 CYS 49 18.054 -0.230 -12.766 389 H ILE 50 H ILE 50 15.658 1.857 -9.594 390 HA ILE 50 HA ILE 50 15.320 -0.845 -8.598 391 HB ILE 50 HB ILE 50 14.250 1.817 -7.681 392 HG12 ILE 50 HG12 ILE 50 15.663 0.229 -5.730 393 HG13 ILE 50 HG13 ILE 50 16.634 0.402 -7.189 394 HG21 ILE 50 HG21 ILE 50 13.346 0.532 -5.719 395 HG22 ILE 50 HG22 ILE 50 12.484 0.293 -7.238 396 HG23 ILE 50 HG23 ILE 50 13.605 -0.938 -6.657 397 HD11 ILE 50 HD11 ILE 50 15.639 2.946 -6.705 398 HD12 ILE 50 HD12 ILE 50 16.071 2.316 -5.115 399 HD13 ILE 50 HD13 ILE 50 17.276 2.366 -6.401 400 H CYS 51 H CYS 51 13.864 -2.182 -9.417 401 HA CYS 51 HA CYS 51 11.612 -1.121 -10.938 402 HB2 CYS 51 HB2 CYS 51 12.371 -4.020 -10.575 403 HB3 CYS 51 HB3 CYS 51 11.348 -3.324 -11.827 404 H ASP 52 H ASP 52 9.460 -2.090 -10.644 405 HA ASP 52 HA ASP 52 8.901 -2.474 -7.787 406 HB2 ASP 52 HB2 ASP 52 7.801 -0.576 -9.041 407 HB3 ASP 52 HB3 ASP 52 6.920 -1.792 -9.963 408 H TYR 53 H TYR 53 8.268 -4.393 -7.060 409 HA TYR 53 HA TYR 53 7.190 -6.339 -8.993 410 HB2 TYR 53 HB2 TYR 53 9.430 -6.573 -7.094 411 HB3 TYR 53 HB3 TYR 53 8.299 -7.922 -7.066 412 HD1 TYR 53 HD1 TYR 53 10.752 -6.093 -9.092 413 HD2 TYR 53 HD2 TYR 53 8.094 -9.413 -8.958 414 HE1 TYR 53 HE1 TYR 53 11.842 -7.038 -11.084 415 HE2 TYR 53 HE2 TYR 53 9.178 -10.368 -10.949 416 HH TYR 53 HH TYR 53 11.059 -10.244 -12.260 417 H CYS 54 H CYS 54 5.085 -6.480 -8.551 418 HA CYS 54 HA CYS 54 4.139 -7.652 -6.187 419 HB2 CYS 54 HB2 CYS 54 4.352 -4.745 -6.137 420 HB3 CYS 54 HB3 CYS 54 2.706 -5.299 -5.852 421 H GLU 55 H GLU 55 2.569 -4.981 -7.899 422 HA GLU 55 HA GLU 55 0.756 -4.898 -9.271 423 HB2 GLU 55 HB2 GLU 55 2.359 -6.961 -10.268 424 HB3 GLU 55 HB3 GLU 55 0.737 -7.637 -10.218 425 HG2 GLU 55 HG2 GLU 55 0.219 -5.236 -11.322 426 HG3 GLU 55 HG3 GLU 55 1.854 -5.515 -11.918 427 H TYR 56 H TYR 56 -1.458 -5.600 -9.472 428 HA TYR 56 HA TYR 56 -2.313 -7.509 -7.405 429 HB2 TYR 56 HB2 TYR 56 -2.676 -5.343 -6.437 430 HB3 TYR 56 HB3 TYR 56 -3.424 -4.746 -7.914 431 HD1 TYR 56 HD2 TYR 56 -3.883 -7.010 -5.031 432 HD2 TYR 56 HD1 TYR 56 -5.734 -5.104 -8.353 433 HE1 TYR 56 HE2 TYR 56 -6.091 -7.665 -4.168 434 HE2 TYR 56 HE1 TYR 56 -7.948 -5.753 -7.499 435 HH TYR 56 HH TYR 56 -8.303 -7.418 -4.395
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