NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612549 | 5i1x | 30009 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.392 0.018 -2.063 3 HB2 SER 1 HB2 SER 1 3.914 1.053 -0.816 4 HB3 SER 1 HB3 SER 1 3.169 1.486 -2.355 5 HG SER 1 HG SER 1 2.918 3.129 -0.778 6 H GLU 2 H GLU 2 1.317 -2.392 -1.527 7 HA GLU 2 HA GLU 2 4.059 -3.473 -1.560 8 HB2 GLU 2 HB2 GLU 2 1.540 -4.558 -0.327 9 HB3 GLU 2 HB3 GLU 2 2.886 -5.615 -0.727 10 HG2 GLU 2 HG2 GLU 2 3.352 -3.181 0.932 11 HG3 GLU 2 HG3 GLU 2 2.669 -4.632 1.663 12 H ASP 3 H ASP 3 4.286 -3.466 -3.786 13 HA ASP 3 HA ASP 3 2.326 -4.967 -5.362 14 HB2 ASP 3 HB2 ASP 3 4.648 -3.235 -6.236 15 HB3 ASP 3 HB3 ASP 3 3.530 -4.051 -7.326 16 H CYS 4 H CYS 4 2.750 -7.097 -5.070 17 HA CYS 4 HA CYS 4 5.370 -8.183 -4.886 18 HB2 CYS 4 HB2 CYS 4 4.220 -10.376 -5.102 19 HB3 CYS 4 HB3 CYS 4 3.503 -9.343 -3.870 20 H LEU 5 H LEU 5 6.370 -9.663 -6.387 21 HA LEU 5 HA LEU 5 6.229 -8.688 -9.095 22 HB2 LEU 5 HB2 LEU 5 7.920 -10.821 -7.803 23 HB3 LEU 5 HB3 LEU 5 8.077 -10.314 -9.484 24 HG LEU 5 HG LEU 5 8.341 -8.271 -7.324 25 HD11 LEU 5 HD11 LEU 5 10.610 -8.769 -6.925 26 HD12 LEU 5 HD12 LEU 5 10.653 -9.978 -8.208 27 HD13 LEU 5 HD13 LEU 5 9.743 -10.292 -6.731 28 HD21 LEU 5 HD21 LEU 5 8.457 -8.167 -10.041 29 HD22 LEU 5 HD22 LEU 5 10.161 -8.344 -9.621 30 HD23 LEU 5 HD23 LEU 5 9.222 -7.007 -8.954 31 H GLY 6 H GLY 6 6.570 -10.599 -10.815 32 HA2 GLY 6 HA2 GLY 6 4.166 -12.278 -10.526 33 HA3 GLY 6 HA3 GLY 6 4.867 -11.765 -12.054 34 H TRP 7 H TRP 7 4.533 -14.164 -12.400 35 HA TRP 7 HA TRP 7 6.396 -15.935 -11.107 36 HB2 TRP 7 HB2 TRP 7 5.475 -17.656 -12.513 37 HB3 TRP 7 HB3 TRP 7 4.145 -16.652 -11.942 38 HD1 TRP 7 HD1 TRP 7 6.071 -17.549 -15.119 39 HE1 TRP 7 HE1 TRP 7 4.727 -16.732 -17.157 40 HE3 TRP 7 HE3 TRP 7 2.442 -14.894 -12.687 41 HZ2 TRP 7 HZ2 TRP 7 2.433 -15.169 -17.666 42 HZ3 TRP 7 HZ3 TRP 7 0.710 -13.767 -14.022 43 HH2 TRP 7 HH2 TRP 7 0.707 -13.902 -16.460 44 H ALA 8 H ALA 8 6.235 -14.142 -14.112 45 HA ALA 8 HA ALA 8 8.696 -15.380 -15.081 46 HB1 ALA 8 HB1 ALA 8 6.940 -13.312 -16.398 47 HB2 ALA 8 HB2 ALA 8 8.287 -14.171 -17.146 48 HB3 ALA 8 HB3 ALA 8 6.841 -15.054 -16.656 49 H SER 9 H SER 9 8.959 -13.860 -12.730 50 HA SER 9 HA SER 9 10.465 -11.520 -13.705 51 HB2 SER 9 HB2 SER 9 9.232 -11.872 -10.962 52 HB3 SER 9 HB3 SER 9 10.039 -10.430 -11.577 53 HG SER 9 HG SER 9 8.362 -10.063 -12.941 54 H ARG 10 H ARG 10 12.268 -10.888 -12.153 55 HA ARG 10 HA ARG 10 13.780 -13.314 -11.506 56 HB2 ARG 10 HB2 ARG 10 14.771 -10.470 -11.770 57 HB3 ARG 10 HB3 ARG 10 15.764 -11.911 -11.596 58 HG2 ARG 10 HG2 ARG 10 13.880 -11.588 -13.902 59 HG3 ARG 10 HG3 ARG 10 15.502 -10.894 -13.927 60 HD2 ARG 10 HD2 ARG 10 16.528 -12.953 -13.955 61 HD3 ARG 10 HD3 ARG 10 15.164 -13.760 -13.183 62 HE ARG 10 HE ARG 10 14.326 -14.196 -15.256 63 HH11 ARG 10 HH11 ARG 10 16.569 -11.545 -15.502 64 HH12 ARG 10 HH12 ARG 10 16.479 -11.458 -17.230 65 HH21 ARG 10 HH21 ARG 10 14.200 -14.092 -17.531 66 HH22 ARG 10 HH22 ARG 10 15.131 -12.908 -18.383 67 H CYS 11 H CYS 11 14.752 -13.629 -9.513 68 HA CYS 11 HA CYS 11 14.594 -11.687 -7.414 69 HB2 CYS 11 HB2 CYS 11 13.047 -12.793 -5.965 70 HB3 CYS 11 HB3 CYS 11 12.249 -12.599 -7.522 71 H SER 12 H SER 12 15.411 -12.596 -5.325 72 HA SER 12 HA SER 12 17.274 -14.825 -5.828 73 HB2 SER 12 HB2 SER 12 18.593 -13.525 -3.913 74 HB3 SER 12 HB3 SER 12 18.777 -13.099 -5.615 75 HG SER 12 HG SER 12 17.792 -11.265 -5.265 76 HA PRO 13 HA PRO 13 15.742 -16.902 -2.282 77 HB2 PRO 13 HB2 PRO 13 17.999 -17.952 -1.196 78 HB3 PRO 13 HB3 PRO 13 17.286 -18.552 -2.698 79 HG2 PRO 13 HG2 PRO 13 19.588 -16.679 -2.311 80 HG3 PRO 13 HG3 PRO 13 19.426 -18.033 -3.445 81 HD2 PRO 13 HD2 PRO 13 19.067 -15.455 -4.193 82 HD3 PRO 13 HD3 PRO 13 18.175 -16.798 -4.936 83 H LYS 14 H LYS 14 18.204 -14.484 -1.847 84 HA LYS 14 HA LYS 14 18.018 -14.421 1.024 85 HB2 LYS 14 HB2 LYS 14 19.184 -12.305 -0.786 86 HB3 LYS 14 HB3 LYS 14 19.535 -12.567 0.917 87 HG2 LYS 14 HG2 LYS 14 20.640 -14.652 0.411 88 HG3 LYS 14 HG3 LYS 14 20.203 -14.501 -1.292 89 HD2 LYS 14 HD2 LYS 14 21.457 -12.137 -0.880 90 HD3 LYS 14 HD3 LYS 14 22.336 -13.175 0.245 91 HE2 LYS 14 HE2 LYS 14 22.734 -14.770 -1.603 92 HE3 LYS 14 HE3 LYS 14 21.935 -13.652 -2.707 93 HZ1 LYS 14 HZ1 LYS 14 24.144 -12.615 -1.100 94 HZ2 LYS 14 HZ2 LYS 14 23.682 -12.227 -2.680 95 HZ3 LYS 14 HZ3 LYS 14 24.534 -13.657 -2.376 96 H ASN 15 H ASN 15 16.679 -12.594 -1.675 97 HA ASN 15 HA ASN 15 14.777 -11.366 0.193 98 HB2 ASN 15 HB2 ASN 15 16.739 -9.837 -0.640 99 HB3 ASN 15 HB3 ASN 15 15.800 -9.772 -2.129 100 HD21 ASN 15 HD21 ASN 15 16.374 -7.560 -0.501 101 HD22 ASN 15 HD22 ASN 15 14.885 -6.960 0.137 102 H ASP 16 H ASP 16 13.395 -13.084 -0.590 103 HA ASP 16 HA ASP 16 12.543 -12.888 -3.375 104 HB2 ASP 16 HB2 ASP 16 12.841 -15.134 -2.673 105 HB3 ASP 16 HB3 ASP 16 11.962 -14.860 -1.171 106 H LYS 17 H LYS 17 11.145 -11.290 -3.753 107 HA LYS 17 HA LYS 17 8.898 -10.944 -1.877 108 HB2 LYS 17 HB2 LYS 17 8.788 -8.593 -2.875 109 HB3 LYS 17 HB3 LYS 17 10.121 -8.936 -1.779 110 HG2 LYS 17 HG2 LYS 17 10.576 -9.349 -4.681 111 HG3 LYS 17 HG3 LYS 17 10.478 -7.692 -4.082 112 HD2 LYS 17 HD2 LYS 17 12.191 -9.618 -2.599 113 HD3 LYS 17 HD3 LYS 17 12.770 -9.022 -4.156 114 HE2 LYS 17 HE2 LYS 17 11.898 -7.299 -1.838 115 HE3 LYS 17 HE3 LYS 17 13.569 -7.659 -2.267 116 HZ1 LYS 17 HZ1 LYS 17 11.620 -5.957 -3.659 117 HZ2 LYS 17 HZ2 LYS 17 12.844 -6.705 -4.555 118 HZ3 LYS 17 HZ3 LYS 17 13.244 -5.651 -3.293 119 H CYS 18 H CYS 18 8.286 -12.853 -3.449 120 HA CYS 18 HA CYS 18 6.894 -11.712 -5.781 121 HB2 CYS 18 HB2 CYS 18 7.936 -14.496 -5.258 122 HB3 CYS 18 HB3 CYS 18 6.819 -14.130 -6.569 123 H CYS 19 H CYS 19 4.769 -12.528 -6.268 124 HA CYS 19 HA CYS 19 2.986 -12.457 -4.164 125 HB2 CYS 19 HB2 CYS 19 2.832 -13.367 -6.994 126 HB3 CYS 19 HB3 CYS 19 1.509 -13.819 -5.924 127 HA PRO 20 HA PRO 20 2.889 -16.403 -2.250 128 HB2 PRO 20 HB2 PRO 20 0.236 -16.782 -1.816 129 HB3 PRO 20 HB3 PRO 20 1.199 -15.609 -0.911 130 HG2 PRO 20 HG2 PRO 20 -0.621 -15.166 -3.246 131 HG3 PRO 20 HG3 PRO 20 -0.450 -14.208 -1.764 132 HD2 PRO 20 HD2 PRO 20 0.694 -13.482 -4.108 133 HD3 PRO 20 HD3 PRO 20 1.431 -13.121 -2.534 134 H ASN 21 H ASN 21 1.770 -18.606 -2.338 135 HA ASN 21 HA ASN 21 1.268 -20.503 -3.487 136 HB2 ASN 21 HB2 ASN 21 0.076 -18.772 -5.648 137 HB3 ASN 21 HB3 ASN 21 -0.378 -20.411 -5.190 138 HD21 ASN 21 HD21 ASN 21 -1.059 -17.157 -4.839 139 HD22 ASN 21 HD22 ASN 21 -2.156 -17.262 -3.509 140 H TYR 22 H TYR 22 3.748 -18.943 -4.007 141 HA TYR 22 HA TYR 22 4.456 -20.238 -6.551 142 HB2 TYR 22 HB2 TYR 22 5.012 -17.417 -5.681 143 HB3 TYR 22 HB3 TYR 22 6.082 -18.231 -6.817 144 HD1 TYR 22 HD1 TYR 22 4.383 -19.679 -8.591 145 HD2 TYR 22 HD2 TYR 22 3.705 -15.881 -6.797 146 HE1 TYR 22 HE1 TYR 22 2.878 -19.080 -10.442 147 HE2 TYR 22 HE2 TYR 22 2.197 -15.272 -8.643 148 HH TYR 22 HH TYR 22 1.633 -17.485 -11.361 149 H LYS 23 H LYS 23 7.048 -19.969 -6.725 150 HA LYS 23 HA LYS 23 8.358 -20.393 -4.175 151 HB2 LYS 23 HB2 LYS 23 7.320 -22.615 -5.049 152 HB3 LYS 23 HB3 LYS 23 8.637 -22.580 -6.213 153 HG2 LYS 23 HG2 LYS 23 9.376 -23.923 -4.432 154 HG3 LYS 23 HG3 LYS 23 10.206 -22.377 -4.246 155 HD2 LYS 23 HD2 LYS 23 8.460 -21.709 -2.603 156 HD3 LYS 23 HD3 LYS 23 7.782 -23.334 -2.724 157 HE2 LYS 23 HE2 LYS 23 10.677 -22.982 -2.077 158 HE3 LYS 23 HE3 LYS 23 9.469 -22.741 -0.816 159 HZ1 LYS 23 HZ1 LYS 23 8.769 -24.942 -0.965 160 HZ2 LYS 23 HZ2 LYS 23 10.452 -25.056 -1.081 161 HZ3 LYS 23 HZ3 LYS 23 9.498 -25.189 -2.471 162 H CYS 24 H CYS 24 9.979 -18.992 -4.411 163 HA CYS 24 HA CYS 24 11.120 -18.171 -6.826 164 HB2 CYS 24 HB2 CYS 24 11.260 -17.131 -4.441 165 HB3 CYS 24 HB3 CYS 24 12.680 -18.157 -4.260 166 H SER 25 H SER 25 12.528 -19.086 -8.163 167 HA SER 25 HA SER 25 13.854 -21.557 -7.320 168 HB2 SER 25 HB2 SER 25 12.560 -21.756 -9.355 169 HB3 SER 25 HB3 SER 25 13.387 -20.369 -10.064 170 HG SER 25 HG SER 25 14.453 -22.923 -9.466 171 H SER 26 H SER 26 15.830 -21.317 -6.524 172 HA SER 26 HA SER 26 17.456 -19.035 -7.009 173 HB2 SER 26 HB2 SER 26 18.393 -21.675 -5.879 174 HB3 SER 26 HB3 SER 26 19.070 -20.073 -5.588 175 HG SER 26 HG SER 26 16.763 -19.687 -4.763 176 H LYS 27 H LYS 27 16.900 -21.865 -8.769 177 HA LYS 27 HA LYS 27 19.444 -22.283 -9.930 178 HB2 LYS 27 HB2 LYS 27 16.652 -23.106 -10.546 179 HB3 LYS 27 HB3 LYS 27 17.833 -23.231 -11.842 180 HG2 LYS 27 HG2 LYS 27 17.878 -25.328 -10.854 181 HG3 LYS 27 HG3 LYS 27 19.269 -24.508 -10.142 182 HD2 LYS 27 HD2 LYS 27 18.047 -24.060 -8.126 183 HD3 LYS 27 HD3 LYS 27 16.551 -24.660 -8.844 184 HE2 LYS 27 HE2 LYS 27 17.222 -26.867 -8.716 185 HE3 LYS 27 HE3 LYS 27 18.935 -26.452 -8.683 186 HZ1 LYS 27 HZ1 LYS 27 18.736 -26.853 -6.505 187 HZ2 LYS 27 HZ2 LYS 27 17.053 -26.683 -6.505 188 HZ3 LYS 27 HZ3 LYS 27 18.042 -25.312 -6.423 189 H ASP 28 H ASP 28 16.543 -20.731 -11.317 190 HA ASP 28 HA ASP 28 18.309 -19.273 -13.161 191 HB2 ASP 28 HB2 ASP 28 15.664 -20.490 -13.429 192 HB3 ASP 28 HB3 ASP 28 15.724 -18.837 -14.035 193 H LEU 29 H LEU 29 17.250 -18.745 -10.255 194 HA LEU 29 HA LEU 29 16.613 -16.958 -8.993 195 HB2 LEU 29 HB2 LEU 29 17.842 -15.465 -11.305 196 HB3 LEU 29 HB3 LEU 29 17.490 -14.781 -9.719 197 HG LEU 29 HG LEU 29 19.418 -17.055 -10.155 198 HD11 LEU 29 HD11 LEU 29 19.751 -14.404 -10.974 199 HD12 LEU 29 HD12 LEU 29 20.996 -15.641 -10.808 200 HD13 LEU 29 HD13 LEU 29 20.649 -14.553 -9.464 201 HD21 LEU 29 HD21 LEU 29 19.181 -17.173 -7.934 202 HD22 LEU 29 HD22 LEU 29 18.374 -15.607 -7.842 203 HD23 LEU 29 HD23 LEU 29 20.136 -15.690 -7.896 204 H TRP 30 H TRP 30 14.545 -17.989 -10.540 205 HA TRP 30 HA TRP 30 12.957 -15.559 -10.995 206 HB2 TRP 30 HB2 TRP 30 11.988 -16.406 -12.989 207 HB3 TRP 30 HB3 TRP 30 13.725 -16.647 -13.161 208 HD1 TRP 30 HD1 TRP 30 14.325 -19.335 -11.932 209 HE1 TRP 30 HE1 TRP 30 13.260 -21.525 -12.765 210 HE3 TRP 30 HE3 TRP 30 10.199 -17.400 -14.248 211 HZ2 TRP 30 HZ2 TRP 30 10.973 -22.325 -14.213 212 HZ3 TRP 30 HZ3 TRP 30 8.622 -18.945 -15.334 213 HH2 TRP 30 HH2 TRP 30 9.003 -21.357 -15.316 214 H CYS 31 H CYS 31 10.738 -15.743 -10.540 215 HA CYS 31 HA CYS 31 10.107 -17.544 -8.430 216 HB2 CYS 31 HB2 CYS 31 8.145 -15.857 -9.986 217 HB3 CYS 31 HB3 CYS 31 7.989 -16.441 -8.332 218 H LYS 32 H LYS 32 9.737 -19.633 -8.755 219 HA LYS 32 HA LYS 32 8.559 -20.556 -11.251 220 HB2 LYS 32 HB2 LYS 32 10.092 -21.780 -9.035 221 HB3 LYS 32 HB3 LYS 32 8.895 -22.815 -9.802 222 HG2 LYS 32 HG2 LYS 32 9.943 -22.295 -11.997 223 HG3 LYS 32 HG3 LYS 32 11.209 -21.422 -11.130 224 HD2 LYS 32 HD2 LYS 32 12.257 -23.420 -11.193 225 HD3 LYS 32 HD3 LYS 32 11.238 -23.767 -9.794 226 HE2 LYS 32 HE2 LYS 32 9.543 -24.717 -11.358 227 HE3 LYS 32 HE3 LYS 32 10.702 -24.503 -12.669 228 HZ1 LYS 32 HZ1 LYS 32 10.704 -26.764 -11.748 229 HZ2 LYS 32 HZ2 LYS 32 11.180 -26.151 -10.245 230 HZ3 LYS 32 HZ3 LYS 32 12.208 -26.006 -11.581 231 H TYR 33 H TYR 33 7.005 -22.548 -10.870 232 HA TYR 33 HA TYR 33 4.732 -21.466 -9.418 233 HB2 TYR 33 HB2 TYR 33 4.955 -23.881 -11.226 234 HB3 TYR 33 HB3 TYR 33 3.457 -23.263 -10.540 235 HD1 TYR 33 HD1 TYR 33 5.940 -22.878 -13.150 236 HD2 TYR 33 HD2 TYR 33 2.587 -21.051 -11.273 237 HE1 TYR 33 HE1 TYR 33 5.681 -21.380 -15.084 238 HE2 TYR 33 HE2 TYR 33 2.318 -19.549 -13.202 239 HH TYR 33 HH TYR 33 4.664 -19.487 -15.824 240 H LYS 34 H LYS 34 3.953 -22.228 -7.552 241 HA LYS 34 HA LYS 34 5.454 -24.232 -6.127 242 HB2 LYS 34 HB2 LYS 34 4.174 -22.032 -5.294 243 HB3 LYS 34 HB3 LYS 34 2.885 -23.202 -5.043 244 HG2 LYS 34 HG2 LYS 34 5.560 -23.920 -4.009 245 HG3 LYS 34 HG3 LYS 34 4.698 -22.620 -3.182 246 HD2 LYS 34 HD2 LYS 34 3.206 -25.115 -3.812 247 HD3 LYS 34 HD3 LYS 34 4.384 -25.160 -2.498 248 HE2 LYS 34 HE2 LYS 34 3.240 -23.120 -1.560 249 HE3 LYS 34 HE3 LYS 34 1.975 -23.372 -2.761 250 HZ1 LYS 34 HZ1 LYS 34 2.184 -24.551 -0.267 251 HZ2 LYS 34 HZ2 LYS 34 2.498 -25.783 -1.383 252 HZ3 LYS 34 HZ3 LYS 34 1.055 -24.904 -1.477 253 H ILE 35 H ILE 35 2.508 -24.087 -7.939 254 HA ILE 35 HA ILE 35 1.674 -26.719 -6.954 255 HB ILE 35 HB ILE 35 0.190 -24.873 -8.825 256 HG12 ILE 35 HG12 ILE 35 -0.190 -25.286 -5.851 257 HG13 ILE 35 HG13 ILE 35 0.543 -23.865 -6.589 258 HG21 ILE 35 HG21 ILE 35 -1.488 -26.637 -7.356 259 HG22 ILE 35 HG22 ILE 35 -1.233 -26.552 -9.098 260 HG23 ILE 35 HG23 ILE 35 -0.203 -27.584 -8.106 261 HD11 ILE 35 HD11 ILE 35 -1.601 -23.149 -6.222 262 HD12 ILE 35 HD12 ILE 35 -1.713 -23.731 -7.884 263 HD13 ILE 35 HD13 ILE 35 -2.304 -24.732 -6.557 264 H TRP 36 H TRP 36 1.835 -28.518 -8.150 265 HA TRP 36 HA TRP 36 2.809 -28.228 -10.915 266 HB2 TRP 36 HB2 TRP 36 4.338 -29.320 -9.208 267 HB3 TRP 36 HB3 TRP 36 3.179 -30.644 -9.143 268 HD1 TRP 36 HD1 TRP 36 4.531 -28.811 -12.283 269 HE1 TRP 36 HE1 TRP 36 5.574 -30.575 -13.841 270 HE3 TRP 36 HE3 TRP 36 3.968 -32.941 -9.323 271 HZ2 TRP 36 HZ2 TRP 36 6.089 -33.350 -13.818 272 HZ3 TRP 36 HZ3 TRP 36 4.762 -35.112 -10.165 273 HH2 TRP 36 HH2 TRP 36 5.800 -35.310 -12.366 Start of MODEL 2 1 H SER 1 H SER 1 0.414 -4.742 2.517 2 HA SER 1 HA SER 1 -0.181 -2.777 0.549 3 HB2 SER 1 HB2 SER 1 1.175 -2.763 3.220 4 HB3 SER 1 HB3 SER 1 1.320 -1.350 2.175 5 HG SER 1 HG SER 1 -0.585 -1.692 3.772 6 H GLU 2 H GLU 2 1.133 -4.147 -1.083 7 HA GLU 2 HA GLU 2 3.406 -2.656 -1.821 8 HB2 GLU 2 HB2 GLU 2 5.142 -4.377 -1.592 9 HB3 GLU 2 HB3 GLU 2 4.507 -3.887 -0.028 10 HG2 GLU 2 HG2 GLU 2 4.597 -6.159 0.213 11 HG3 GLU 2 HG3 GLU 2 2.935 -5.938 -0.330 12 H ASP 3 H ASP 3 4.431 -3.494 -3.801 13 HA ASP 3 HA ASP 3 2.477 -5.012 -5.378 14 HB2 ASP 3 HB2 ASP 3 3.834 -4.087 -7.334 15 HB3 ASP 3 HB3 ASP 3 2.905 -2.921 -6.396 16 H CYS 4 H CYS 4 2.968 -7.130 -5.070 17 HA CYS 4 HA CYS 4 5.614 -8.146 -4.918 18 HB2 CYS 4 HB2 CYS 4 4.521 -10.368 -5.140 19 HB3 CYS 4 HB3 CYS 4 3.788 -9.362 -3.896 20 H LEU 5 H LEU 5 6.377 -9.907 -6.451 21 HA LEU 5 HA LEU 5 6.329 -8.814 -9.145 22 HB2 LEU 5 HB2 LEU 5 7.969 -11.024 -7.917 23 HB3 LEU 5 HB3 LEU 5 8.149 -10.433 -9.568 24 HG LEU 5 HG LEU 5 8.463 -8.545 -7.269 25 HD11 LEU 5 HD11 LEU 5 10.937 -9.079 -7.418 26 HD12 LEU 5 HD12 LEU 5 10.463 -10.577 -8.220 27 HD13 LEU 5 HD13 LEU 5 9.926 -10.251 -6.572 28 HD21 LEU 5 HD21 LEU 5 9.926 -8.660 -9.893 29 HD22 LEU 5 HD22 LEU 5 9.757 -7.296 -8.788 30 HD23 LEU 5 HD23 LEU 5 8.366 -7.859 -9.713 31 H GLY 6 H GLY 6 6.609 -10.723 -10.878 32 HA2 GLY 6 HA2 GLY 6 4.183 -12.366 -10.562 33 HA3 GLY 6 HA3 GLY 6 4.846 -11.831 -12.099 34 H TRP 7 H TRP 7 4.384 -14.288 -12.323 35 HA TRP 7 HA TRP 7 6.281 -16.080 -11.164 36 HB2 TRP 7 HB2 TRP 7 5.322 -17.756 -12.626 37 HB3 TRP 7 HB3 TRP 7 4.025 -16.779 -11.943 38 HD1 TRP 7 HD1 TRP 7 5.879 -17.385 -15.254 39 HE1 TRP 7 HE1 TRP 7 4.404 -16.527 -17.181 40 HE3 TRP 7 HE3 TRP 7 2.169 -15.180 -12.514 41 HZ2 TRP 7 HZ2 TRP 7 1.988 -15.102 -17.497 42 HZ3 TRP 7 HZ3 TRP 7 0.312 -14.091 -13.705 43 HH2 TRP 7 HH2 TRP 7 0.225 -14.053 -16.145 44 H ALA 8 H ALA 8 6.143 -14.167 -14.079 45 HA ALA 8 HA ALA 8 8.535 -15.463 -15.152 46 HB1 ALA 8 HB1 ALA 8 6.480 -14.841 -16.553 47 HB2 ALA 8 HB2 ALA 8 7.076 -13.184 -16.445 48 HB3 ALA 8 HB3 ALA 8 8.072 -14.432 -17.194 49 H SER 9 H SER 9 8.504 -13.723 -12.719 50 HA SER 9 HA SER 9 10.236 -11.536 -13.650 51 HB2 SER 9 HB2 SER 9 8.735 -11.903 -11.048 52 HB3 SER 9 HB3 SER 9 9.857 -10.578 -11.362 53 HG SER 9 HG SER 9 8.298 -9.606 -12.359 54 H ARG 10 H ARG 10 12.062 -10.982 -12.150 55 HA ARG 10 HA ARG 10 13.487 -13.442 -11.477 56 HB2 ARG 10 HB2 ARG 10 15.495 -12.077 -11.468 57 HB3 ARG 10 HB3 ARG 10 14.589 -11.800 -12.950 58 HG2 ARG 10 HG2 ARG 10 15.092 -9.653 -12.417 59 HG3 ARG 10 HG3 ARG 10 13.574 -9.814 -11.533 60 HD2 ARG 10 HD2 ARG 10 14.642 -9.999 -9.481 61 HD3 ARG 10 HD3 ARG 10 16.169 -10.493 -10.210 62 HE ARG 10 HE ARG 10 15.293 -7.822 -9.700 63 HH11 ARG 10 HH11 ARG 10 17.237 -9.795 -11.810 64 HH12 ARG 10 HH12 ARG 10 18.292 -8.498 -12.265 65 HH21 ARG 10 HH21 ARG 10 16.674 -6.107 -10.292 66 HH22 ARG 10 HH22 ARG 10 17.971 -6.400 -11.400 67 H CYS 11 H CYS 11 14.806 -13.505 -9.506 68 HA CYS 11 HA CYS 11 14.420 -11.729 -7.354 69 HB2 CYS 11 HB2 CYS 11 12.924 -12.938 -5.933 70 HB3 CYS 11 HB3 CYS 11 12.121 -12.750 -7.490 71 H SER 12 H SER 12 15.291 -12.621 -5.290 72 HA SER 12 HA SER 12 17.241 -14.768 -5.821 73 HB2 SER 12 HB2 SER 12 17.576 -12.081 -4.581 74 HB3 SER 12 HB3 SER 12 18.505 -13.413 -3.892 75 HG SER 12 HG SER 12 19.574 -12.274 -5.626 76 HA PRO 13 HA PRO 13 15.821 -16.922 -2.274 77 HB2 PRO 13 HB2 PRO 13 18.126 -17.885 -1.211 78 HB3 PRO 13 HB3 PRO 13 17.426 -18.507 -2.711 79 HG2 PRO 13 HG2 PRO 13 19.654 -16.544 -2.330 80 HG3 PRO 13 HG3 PRO 13 19.538 -17.898 -3.470 81 HD2 PRO 13 HD2 PRO 13 19.071 -15.333 -4.201 82 HD3 PRO 13 HD3 PRO 13 18.228 -16.707 -4.945 83 H LYS 14 H LYS 14 18.287 -14.486 -1.805 84 HA LYS 14 HA LYS 14 18.022 -14.418 1.059 85 HB2 LYS 14 HB2 LYS 14 19.331 -12.460 -0.838 86 HB3 LYS 14 HB3 LYS 14 19.475 -12.429 0.914 87 HG2 LYS 14 HG2 LYS 14 20.543 -14.646 0.843 88 HG3 LYS 14 HG3 LYS 14 20.456 -14.606 -0.920 89 HD2 LYS 14 HD2 LYS 14 21.831 -12.463 0.682 90 HD3 LYS 14 HD3 LYS 14 22.665 -13.915 0.127 91 HE2 LYS 14 HE2 LYS 14 22.507 -13.315 -2.097 92 HE3 LYS 14 HE3 LYS 14 21.111 -12.273 -1.824 93 HZ1 LYS 14 HZ1 LYS 14 22.877 -10.823 -2.202 94 HZ2 LYS 14 HZ2 LYS 14 23.958 -11.715 -1.255 95 HZ3 LYS 14 HZ3 LYS 14 22.721 -10.827 -0.518 96 H ASN 15 H ASN 15 16.783 -12.574 -1.675 97 HA ASN 15 HA ASN 15 14.877 -11.285 0.155 98 HB2 ASN 15 HB2 ASN 15 16.342 -9.933 -2.123 99 HB3 ASN 15 HB3 ASN 15 15.045 -9.205 -1.180 100 HD21 ASN 15 HD21 ASN 15 15.867 -7.737 0.114 101 HD22 ASN 15 HD22 ASN 15 17.298 -7.906 1.068 102 H ASP 16 H ASP 16 13.523 -13.074 -0.597 103 HA ASP 16 HA ASP 16 12.638 -12.923 -3.372 104 HB2 ASP 16 HB2 ASP 16 12.903 -15.156 -2.699 105 HB3 ASP 16 HB3 ASP 16 12.165 -14.866 -1.126 106 H LYS 17 H LYS 17 11.234 -11.336 -3.769 107 HA LYS 17 HA LYS 17 8.989 -10.974 -1.893 108 HB2 LYS 17 HB2 LYS 17 10.031 -8.853 -3.765 109 HB3 LYS 17 HB3 LYS 17 8.924 -8.653 -2.413 110 HG2 LYS 17 HG2 LYS 17 10.814 -7.881 -1.436 111 HG3 LYS 17 HG3 LYS 17 11.004 -9.596 -1.063 112 HD2 LYS 17 HD2 LYS 17 13.068 -9.179 -1.940 113 HD3 LYS 17 HD3 LYS 17 12.209 -9.593 -3.426 114 HE2 LYS 17 HE2 LYS 17 11.735 -7.119 -3.679 115 HE3 LYS 17 HE3 LYS 17 12.890 -6.856 -2.375 116 HZ1 LYS 17 HZ1 LYS 17 14.295 -8.435 -4.007 117 HZ2 LYS 17 HZ2 LYS 17 14.348 -6.746 -4.058 118 HZ3 LYS 17 HZ3 LYS 17 13.358 -7.593 -5.136 119 H CYS 18 H CYS 18 8.530 -12.918 -3.579 120 HA CYS 18 HA CYS 18 7.132 -11.790 -5.904 121 HB2 CYS 18 HB2 CYS 18 7.890 -14.657 -5.299 122 HB3 CYS 18 HB3 CYS 18 7.089 -14.100 -6.765 123 H CYS 19 H CYS 19 4.996 -12.561 -6.417 124 HA CYS 19 HA CYS 19 3.170 -12.380 -4.356 125 HB2 CYS 19 HB2 CYS 19 3.050 -13.378 -7.161 126 HB3 CYS 19 HB3 CYS 19 1.688 -13.741 -6.105 127 HA PRO 20 HA PRO 20 2.919 -16.264 -2.334 128 HB2 PRO 20 HB2 PRO 20 0.248 -16.556 -1.950 129 HB3 PRO 20 HB3 PRO 20 1.225 -15.385 -1.056 130 HG2 PRO 20 HG2 PRO 20 -0.532 -14.958 -3.442 131 HG3 PRO 20 HG3 PRO 20 -0.364 -13.964 -1.984 132 HD2 PRO 20 HD2 PRO 20 0.850 -13.337 -4.323 133 HD3 PRO 20 HD3 PRO 20 1.563 -12.953 -2.743 134 H ASN 21 H ASN 21 1.759 -18.440 -2.389 135 HA ASN 21 HA ASN 21 1.242 -20.357 -3.496 136 HB2 ASN 21 HB2 ASN 21 0.088 -18.665 -5.707 137 HB3 ASN 21 HB3 ASN 21 -0.397 -20.281 -5.204 138 HD21 ASN 21 HD21 ASN 21 -1.006 -16.999 -4.939 139 HD22 ASN 21 HD22 ASN 21 -2.115 -17.049 -3.615 140 H TYR 22 H TYR 22 3.749 -18.854 -4.039 141 HA TYR 22 HA TYR 22 4.458 -20.239 -6.533 142 HB2 TYR 22 HB2 TYR 22 5.112 -17.397 -5.771 143 HB3 TYR 22 HB3 TYR 22 6.038 -18.282 -6.978 144 HD1 TYR 22 HD1 TYR 22 4.064 -19.710 -8.510 145 HD2 TYR 22 HD2 TYR 22 3.837 -15.799 -6.849 146 HE1 TYR 22 HE1 TYR 22 2.425 -19.080 -10.233 147 HE2 TYR 22 HE2 TYR 22 2.196 -15.159 -8.566 148 HH TYR 22 HH TYR 22 0.774 -17.494 -10.712 149 H LYS 23 H LYS 23 7.059 -19.939 -6.707 150 HA LYS 23 HA LYS 23 8.346 -20.284 -4.131 151 HB2 LYS 23 HB2 LYS 23 7.376 -22.537 -4.895 152 HB3 LYS 23 HB3 LYS 23 8.607 -22.501 -6.151 153 HG2 LYS 23 HG2 LYS 23 9.474 -23.804 -4.385 154 HG3 LYS 23 HG3 LYS 23 10.315 -22.253 -4.325 155 HD2 LYS 23 HD2 LYS 23 8.847 -21.508 -2.530 156 HD3 LYS 23 HD3 LYS 23 7.955 -23.031 -2.610 157 HE2 LYS 23 HE2 LYS 23 10.053 -24.226 -2.042 158 HE3 LYS 23 HE3 LYS 23 10.852 -22.667 -1.847 159 HZ1 LYS 23 HZ1 LYS 23 10.192 -22.787 0.258 160 HZ2 LYS 23 HZ2 LYS 23 9.120 -24.059 -0.044 161 HZ3 LYS 23 HZ3 LYS 23 8.627 -22.460 -0.294 162 H CYS 24 H CYS 24 9.946 -18.858 -4.369 163 HA CYS 24 HA CYS 24 11.103 -18.050 -6.778 164 HB2 CYS 24 HB2 CYS 24 11.217 -16.853 -4.555 165 HB3 CYS 24 HB3 CYS 24 12.469 -17.997 -4.083 166 H SER 25 H SER 25 12.441 -19.046 -8.120 167 HA SER 25 HA SER 25 13.825 -21.458 -7.227 168 HB2 SER 25 HB2 SER 25 12.531 -21.687 -9.264 169 HB3 SER 25 HB3 SER 25 13.367 -20.317 -9.993 170 HG SER 25 HG SER 25 14.149 -22.461 -10.603 171 H SER 26 H SER 26 15.799 -21.188 -6.432 172 HA SER 26 HA SER 26 17.402 -18.896 -6.946 173 HB2 SER 26 HB2 SER 26 18.456 -21.479 -5.813 174 HB3 SER 26 HB3 SER 26 18.965 -19.831 -5.451 175 HG SER 26 HG SER 26 16.980 -21.320 -4.333 176 H LYS 27 H LYS 27 16.906 -21.797 -8.633 177 HA LYS 27 HA LYS 27 19.447 -22.189 -9.793 178 HB2 LYS 27 HB2 LYS 27 16.663 -23.039 -10.433 179 HB3 LYS 27 HB3 LYS 27 17.884 -23.210 -11.687 180 HG2 LYS 27 HG2 LYS 27 18.006 -25.258 -10.681 181 HG3 LYS 27 HG3 LYS 27 19.247 -24.378 -9.785 182 HD2 LYS 27 HD2 LYS 27 17.775 -24.030 -7.941 183 HD3 LYS 27 HD3 LYS 27 16.389 -24.623 -8.859 184 HE2 LYS 27 HE2 LYS 27 18.791 -26.325 -8.236 185 HE3 LYS 27 HE3 LYS 27 17.390 -26.224 -7.171 186 HZ1 LYS 27 HZ1 LYS 27 16.130 -26.790 -9.374 187 HZ2 LYS 27 HZ2 LYS 27 16.831 -28.015 -8.443 188 HZ3 LYS 27 HZ3 LYS 27 17.623 -27.446 -9.825 189 H ASP 28 H ASP 28 16.532 -20.697 -11.214 190 HA ASP 28 HA ASP 28 18.282 -19.261 -13.089 191 HB2 ASP 28 HB2 ASP 28 15.638 -20.488 -13.317 192 HB3 ASP 28 HB3 ASP 28 15.689 -18.847 -13.954 193 H LEU 29 H LEU 29 17.227 -18.685 -10.186 194 HA LEU 29 HA LEU 29 16.592 -16.878 -8.953 195 HB2 LEU 29 HB2 LEU 29 17.850 -15.459 -11.295 196 HB3 LEU 29 HB3 LEU 29 17.446 -14.698 -9.757 197 HG LEU 29 HG LEU 29 19.469 -16.905 -10.146 198 HD11 LEU 29 HD11 LEU 29 19.924 -14.499 -11.019 199 HD12 LEU 29 HD12 LEU 29 21.145 -15.326 -10.052 200 HD13 LEU 29 HD13 LEU 29 20.106 -14.111 -9.308 201 HD21 LEU 29 HD21 LEU 29 18.856 -17.223 -7.974 202 HD22 LEU 29 HD22 LEU 29 18.321 -15.556 -7.760 203 HD23 LEU 29 HD23 LEU 29 20.043 -15.939 -7.751 204 H TRP 30 H TRP 30 14.528 -17.937 -10.500 205 HA TRP 30 HA TRP 30 12.934 -15.516 -10.978 206 HB2 TRP 30 HB2 TRP 30 11.981 -16.372 -12.971 207 HB3 TRP 30 HB3 TRP 30 13.716 -16.628 -13.132 208 HD1 TRP 30 HD1 TRP 30 14.277 -19.310 -11.857 209 HE1 TRP 30 HE1 TRP 30 13.204 -21.498 -12.684 210 HE3 TRP 30 HE3 TRP 30 10.208 -17.361 -14.260 211 HZ2 TRP 30 HZ2 TRP 30 10.933 -22.294 -14.160 212 HZ3 TRP 30 HZ3 TRP 30 8.634 -18.904 -15.355 213 HH2 TRP 30 HH2 TRP 30 8.991 -21.318 -15.306 214 H CYS 31 H CYS 31 10.716 -15.702 -10.523 215 HA CYS 31 HA CYS 31 10.082 -17.477 -8.398 216 HB2 CYS 31 HB2 CYS 31 8.118 -15.836 -10.001 217 HB3 CYS 31 HB3 CYS 31 7.947 -16.398 -8.342 218 H LYS 32 H LYS 32 9.733 -19.575 -8.685 219 HA LYS 32 HA LYS 32 8.587 -20.556 -11.174 220 HB2 LYS 32 HB2 LYS 32 10.140 -21.708 -8.944 221 HB3 LYS 32 HB3 LYS 32 8.933 -22.777 -9.646 222 HG2 LYS 32 HG2 LYS 32 9.964 -22.177 -11.901 223 HG3 LYS 32 HG3 LYS 32 11.309 -21.517 -10.968 224 HD2 LYS 32 HD2 LYS 32 12.101 -23.629 -11.199 225 HD3 LYS 32 HD3 LYS 32 11.088 -23.908 -9.780 226 HE2 LYS 32 HE2 LYS 32 9.306 -24.751 -11.152 227 HE3 LYS 32 HE3 LYS 32 10.169 -24.309 -12.623 228 HZ1 LYS 32 HZ1 LYS 32 10.223 -26.745 -11.611 229 HZ2 LYS 32 HZ2 LYS 32 11.547 -26.098 -10.782 230 HZ3 LYS 32 HZ3 LYS 32 11.524 -26.093 -12.474 231 H TYR 33 H TYR 33 6.955 -22.398 -10.938 232 HA TYR 33 HA TYR 33 4.717 -21.372 -9.413 233 HB2 TYR 33 HB2 TYR 33 5.062 -23.435 -11.555 234 HB3 TYR 33 HB3 TYR 33 3.607 -23.458 -10.564 235 HD1 TYR 33 HD1 TYR 33 5.647 -21.172 -12.690 236 HD2 TYR 33 HD2 TYR 33 1.795 -22.126 -11.155 237 HE1 TYR 33 HE1 TYR 33 4.653 -19.439 -14.124 238 HE2 TYR 33 HE2 TYR 33 0.791 -20.395 -12.585 239 HH TYR 33 HH TYR 33 2.099 -19.145 -15.153 240 H LYS 34 H LYS 34 3.659 -22.401 -7.757 241 HA LYS 34 HA LYS 34 5.224 -24.278 -6.229 242 HB2 LYS 34 HB2 LYS 34 3.146 -22.389 -5.705 243 HB3 LYS 34 HB3 LYS 34 2.630 -23.962 -5.110 244 HG2 LYS 34 HG2 LYS 34 5.279 -22.711 -4.429 245 HG3 LYS 34 HG3 LYS 34 3.825 -22.538 -3.443 246 HD2 LYS 34 HD2 LYS 34 4.821 -25.252 -4.229 247 HD3 LYS 34 HD3 LYS 34 5.535 -24.397 -2.860 248 HE2 LYS 34 HE2 LYS 34 2.876 -24.102 -2.360 249 HE3 LYS 34 HE3 LYS 34 2.913 -25.689 -3.128 250 HZ1 LYS 34 HZ1 LYS 34 3.578 -26.517 -1.201 251 HZ2 LYS 34 HZ2 LYS 34 3.675 -24.978 -0.506 252 HZ3 LYS 34 HZ3 LYS 34 5.011 -25.625 -1.316 253 H ILE 35 H ILE 35 2.515 -24.392 -8.382 254 HA ILE 35 HA ILE 35 1.505 -26.926 -7.528 255 HB ILE 35 HB ILE 35 0.243 -26.908 -9.654 256 HG12 ILE 35 HG12 ILE 35 1.658 -24.279 -10.146 257 HG13 ILE 35 HG13 ILE 35 1.982 -25.776 -11.016 258 HG21 ILE 35 HG21 ILE 35 -0.739 -25.838 -7.745 259 HG22 ILE 35 HG22 ILE 35 0.188 -24.367 -8.037 260 HG23 ILE 35 HG23 ILE 35 -1.073 -24.854 -9.169 261 HD11 ILE 35 HD11 ILE 35 0.524 -24.961 -12.496 262 HD12 ILE 35 HD12 ILE 35 -0.699 -25.523 -11.356 263 HD13 ILE 35 HD13 ILE 35 -0.182 -23.837 -11.334 264 H TRP 36 H TRP 36 1.437 -28.831 -9.005 265 HA TRP 36 HA TRP 36 4.118 -29.540 -9.759 266 HB2 TRP 36 HB2 TRP 36 1.489 -31.005 -9.747 267 HB3 TRP 36 HB3 TRP 36 2.930 -31.717 -10.466 268 HD1 TRP 36 HD1 TRP 36 5.024 -30.732 -8.235 269 HE1 TRP 36 HE1 TRP 36 5.002 -31.871 -5.927 270 HE3 TRP 36 HE3 TRP 36 0.284 -32.645 -8.321 271 HZ2 TRP 36 HZ2 TRP 36 3.211 -33.381 -4.351 272 HZ3 TRP 36 HZ3 TRP 36 -0.506 -33.924 -6.374 273 HH2 TRP 36 HH2 TRP 36 0.929 -34.284 -4.431 Start of MODEL 3 1 H SER 1 H SER 1 -4.317 -2.923 -0.298 2 HA SER 1 HA SER 1 -3.365 -5.030 -1.898 3 HB2 SER 1 HB2 SER 1 -2.741 -2.142 -2.469 4 HB3 SER 1 HB3 SER 1 -3.108 -3.439 -3.606 5 HG SER 1 HG SER 1 -4.804 -1.792 -2.198 6 H GLU 2 H GLU 2 -1.242 -5.168 -2.944 7 HA GLU 2 HA GLU 2 0.992 -4.002 -1.490 8 HB2 GLU 2 HB2 GLU 2 0.208 -6.311 -0.502 9 HB3 GLU 2 HB3 GLU 2 1.061 -6.964 -1.894 10 HG2 GLU 2 HG2 GLU 2 2.551 -6.977 -0.043 11 HG3 GLU 2 HG3 GLU 2 3.085 -5.724 -1.161 12 H ASP 3 H ASP 3 3.041 -4.291 -2.581 13 HA ASP 3 HA ASP 3 2.676 -4.656 -5.475 14 HB2 ASP 3 HB2 ASP 3 4.874 -3.184 -4.005 15 HB3 ASP 3 HB3 ASP 3 4.661 -3.255 -5.752 16 H CYS 4 H CYS 4 3.113 -6.738 -5.931 17 HA CYS 4 HA CYS 4 5.687 -7.819 -4.984 18 HB2 CYS 4 HB2 CYS 4 4.588 -10.089 -5.303 19 HB3 CYS 4 HB3 CYS 4 4.002 -9.129 -3.949 20 H LEU 5 H LEU 5 6.538 -9.579 -6.461 21 HA LEU 5 HA LEU 5 6.583 -8.533 -9.159 22 HB2 LEU 5 HB2 LEU 5 8.099 -10.741 -7.787 23 HB3 LEU 5 HB3 LEU 5 8.302 -10.345 -9.492 24 HG LEU 5 HG LEU 5 8.765 -8.321 -7.318 25 HD11 LEU 5 HD11 LEU 5 11.092 -8.868 -7.321 26 HD12 LEU 5 HD12 LEU 5 10.856 -10.091 -8.569 27 HD13 LEU 5 HD13 LEU 5 10.184 -10.336 -6.958 28 HD21 LEU 5 HD21 LEU 5 10.402 -7.624 -9.277 29 HD22 LEU 5 HD22 LEU 5 8.708 -7.134 -9.263 30 HD23 LEU 5 HD23 LEU 5 9.221 -8.507 -10.246 31 H GLY 6 H GLY 6 6.840 -10.453 -10.885 32 HA2 GLY 6 HA2 GLY 6 4.314 -11.952 -10.685 33 HA3 GLY 6 HA3 GLY 6 5.109 -11.496 -12.185 34 H TRP 7 H TRP 7 4.549 -13.896 -12.467 35 HA TRP 7 HA TRP 7 6.276 -15.773 -11.141 36 HB2 TRP 7 HB2 TRP 7 5.262 -17.438 -12.601 37 HB3 TRP 7 HB3 TRP 7 4.014 -16.398 -11.920 38 HD1 TRP 7 HD1 TRP 7 5.751 -17.220 -15.230 39 HE1 TRP 7 HE1 TRP 7 4.334 -16.273 -17.160 40 HE3 TRP 7 HE3 TRP 7 2.328 -14.579 -12.502 41 HZ2 TRP 7 HZ2 TRP 7 2.066 -14.624 -17.481 42 HZ3 TRP 7 HZ3 TRP 7 0.567 -13.344 -13.697 43 HH2 TRP 7 HH2 TRP 7 0.440 -13.367 -16.135 44 H ALA 8 H ALA 8 6.304 -13.967 -14.126 45 HA ALA 8 HA ALA 8 8.638 -15.433 -15.099 46 HB1 ALA 8 HB1 ALA 8 7.216 -13.156 -16.460 47 HB2 ALA 8 HB2 ALA 8 8.320 -14.329 -17.178 48 HB3 ALA 8 HB3 ALA 8 6.728 -14.843 -16.620 49 H SER 9 H SER 9 8.655 -13.599 -12.734 50 HA SER 9 HA SER 9 10.495 -11.524 -13.701 51 HB2 SER 9 HB2 SER 9 9.353 -11.716 -10.914 52 HB3 SER 9 HB3 SER 9 10.043 -10.304 -11.717 53 HG SER 9 HG SER 9 8.237 -10.062 -12.887 54 H ARG 10 H ARG 10 12.355 -11.031 -12.219 55 HA ARG 10 HA ARG 10 13.673 -13.545 -11.516 56 HB2 ARG 10 HB2 ARG 10 15.747 -12.308 -11.605 57 HB3 ARG 10 HB3 ARG 10 14.812 -11.968 -13.056 58 HG2 ARG 10 HG2 ARG 10 15.459 -9.858 -12.542 59 HG3 ARG 10 HG3 ARG 10 13.977 -9.927 -11.589 60 HD2 ARG 10 HD2 ARG 10 15.108 -10.114 -9.594 61 HD3 ARG 10 HD3 ARG 10 16.536 -10.821 -10.351 62 HE ARG 10 HE ARG 10 16.319 -8.220 -11.293 63 HH11 ARG 10 HH11 ARG 10 16.814 -9.841 -8.252 64 HH12 ARG 10 HH12 ARG 10 17.742 -8.549 -7.565 65 HH21 ARG 10 HH21 ARG 10 17.538 -6.512 -10.399 66 HH22 ARG 10 HH22 ARG 10 18.151 -6.656 -8.787 67 H CYS 11 H CYS 11 14.974 -13.663 -9.557 68 HA CYS 11 HA CYS 11 14.755 -11.803 -7.451 69 HB2 CYS 11 HB2 CYS 11 13.187 -12.855 -5.984 70 HB3 CYS 11 HB3 CYS 11 12.383 -12.649 -7.536 71 H SER 12 H SER 12 15.648 -12.646 -5.409 72 HA SER 12 HA SER 12 17.417 -14.953 -5.899 73 HB2 SER 12 HB2 SER 12 17.919 -12.285 -4.671 74 HB3 SER 12 HB3 SER 12 18.775 -13.670 -3.993 75 HG SER 12 HG SER 12 19.121 -12.394 -6.396 76 HA PRO 13 HA PRO 13 15.872 -16.983 -2.332 77 HB2 PRO 13 HB2 PRO 13 18.114 -18.079 -1.263 78 HB3 PRO 13 HB3 PRO 13 17.374 -18.669 -2.757 79 HG2 PRO 13 HG2 PRO 13 19.721 -16.846 -2.396 80 HG3 PRO 13 HG3 PRO 13 19.519 -18.199 -3.524 81 HD2 PRO 13 HD2 PRO 13 19.210 -15.617 -4.277 82 HD3 PRO 13 HD3 PRO 13 18.282 -16.943 -5.008 83 H LYS 14 H LYS 14 18.408 -14.635 -1.921 84 HA LYS 14 HA LYS 14 18.238 -14.553 0.949 85 HB2 LYS 14 HB2 LYS 14 19.496 -12.591 -0.978 86 HB3 LYS 14 HB3 LYS 14 19.726 -12.609 0.766 87 HG2 LYS 14 HG2 LYS 14 20.840 -14.743 0.642 88 HG3 LYS 14 HG3 LYS 14 20.511 -14.848 -1.089 89 HD2 LYS 14 HD2 LYS 14 22.798 -14.140 -0.729 90 HD3 LYS 14 HD3 LYS 14 21.870 -12.819 -1.443 91 HE2 LYS 14 HE2 LYS 14 23.299 -11.990 0.338 92 HE3 LYS 14 HE3 LYS 14 21.602 -11.821 0.781 93 HZ1 LYS 14 HZ1 LYS 14 23.173 -12.722 2.533 94 HZ2 LYS 14 HZ2 LYS 14 23.207 -14.154 1.633 95 HZ3 LYS 14 HZ3 LYS 14 21.746 -13.593 2.275 96 H ASN 15 H ASN 15 16.932 -12.697 -1.747 97 HA ASN 15 HA ASN 15 15.096 -11.391 0.139 98 HB2 ASN 15 HB2 ASN 15 16.845 -10.113 -1.929 99 HB3 ASN 15 HB3 ASN 15 15.274 -9.399 -1.574 100 HD21 ASN 15 HD21 ASN 15 18.413 -10.206 -0.290 101 HD22 ASN 15 HD22 ASN 15 18.335 -9.161 1.085 102 H ASP 16 H ASP 16 13.666 -13.113 -0.570 103 HA ASP 16 HA ASP 16 12.741 -12.973 -3.332 104 HB2 ASP 16 HB2 ASP 16 12.990 -15.201 -2.549 105 HB3 ASP 16 HB3 ASP 16 12.145 -14.846 -1.045 106 H LYS 17 H LYS 17 11.384 -11.345 -3.734 107 HA LYS 17 HA LYS 17 9.170 -10.893 -1.840 108 HB2 LYS 17 HB2 LYS 17 10.703 -8.922 -3.531 109 HB3 LYS 17 HB3 LYS 17 9.143 -8.539 -2.814 110 HG2 LYS 17 HG2 LYS 17 10.502 -7.709 -1.201 111 HG3 LYS 17 HG3 LYS 17 10.357 -9.368 -0.615 112 HD2 LYS 17 HD2 LYS 17 12.644 -8.993 -0.520 113 HD3 LYS 17 HD3 LYS 17 12.452 -9.807 -2.075 114 HE2 LYS 17 HE2 LYS 17 13.857 -8.017 -2.564 115 HE3 LYS 17 HE3 LYS 17 12.266 -7.440 -3.056 116 HZ1 LYS 17 HZ1 LYS 17 13.676 -5.856 -1.715 117 HZ2 LYS 17 HZ2 LYS 17 13.398 -6.860 -0.384 118 HZ3 LYS 17 HZ3 LYS 17 12.098 -6.100 -1.155 119 H CYS 18 H CYS 18 8.491 -12.779 -3.414 120 HA CYS 18 HA CYS 18 7.142 -11.586 -5.745 121 HB2 CYS 18 HB2 CYS 18 8.111 -14.393 -5.225 122 HB3 CYS 18 HB3 CYS 18 6.971 -14.018 -6.513 123 H CYS 19 H CYS 19 4.989 -12.324 -6.234 124 HA CYS 19 HA CYS 19 3.209 -12.193 -4.129 125 HB2 CYS 19 HB2 CYS 19 3.021 -13.095 -6.960 126 HB3 CYS 19 HB3 CYS 19 1.682 -13.494 -5.890 127 HA PRO 20 HA PRO 20 2.970 -16.136 -2.222 128 HB2 PRO 20 HB2 PRO 20 0.305 -16.420 -1.788 129 HB3 PRO 20 HB3 PRO 20 1.311 -15.284 -0.881 130 HG2 PRO 20 HG2 PRO 20 -0.493 -14.770 -3.214 131 HG3 PRO 20 HG3 PRO 20 -0.285 -13.822 -1.730 132 HD2 PRO 20 HD2 PRO 20 0.883 -13.133 -4.073 133 HD3 PRO 20 HD3 PRO 20 1.633 -12.803 -2.499 134 H ASN 21 H ASN 21 1.770 -18.296 -2.315 135 HA ASN 21 HA ASN 21 1.197 -20.171 -3.467 136 HB2 ASN 21 HB2 ASN 21 0.082 -18.445 -5.664 137 HB3 ASN 21 HB3 ASN 21 -0.474 -20.023 -5.114 138 HD21 ASN 21 HD21 ASN 21 -1.712 -20.169 -3.238 139 HD22 ASN 21 HD22 ASN 21 -2.500 -18.791 -2.556 140 H TYR 22 H TYR 22 3.736 -18.715 -3.979 141 HA TYR 22 HA TYR 22 4.399 -20.040 -6.517 142 HB2 TYR 22 HB2 TYR 22 5.029 -17.225 -5.680 143 HB3 TYR 22 HB3 TYR 22 6.084 -18.079 -6.800 144 HD1 TYR 22 HD1 TYR 22 4.322 -19.522 -8.542 145 HD2 TYR 22 HD2 TYR 22 3.801 -15.655 -6.845 146 HE1 TYR 22 HE1 TYR 22 2.842 -18.910 -10.408 147 HE2 TYR 22 HE2 TYR 22 2.318 -15.032 -8.707 148 HH TYR 22 HH TYR 22 0.856 -16.198 -10.365 149 H LYS 23 H LYS 23 6.992 -19.864 -6.702 150 HA LYS 23 HA LYS 23 8.294 -20.295 -4.147 151 HB2 LYS 23 HB2 LYS 23 7.344 -22.501 -4.635 152 HB3 LYS 23 HB3 LYS 23 8.118 -22.494 -6.215 153 HG2 LYS 23 HG2 LYS 23 9.336 -23.875 -4.617 154 HG3 LYS 23 HG3 LYS 23 10.309 -22.509 -5.167 155 HD2 LYS 23 HD2 LYS 23 9.867 -21.312 -3.122 156 HD3 LYS 23 HD3 LYS 23 8.742 -22.563 -2.588 157 HE2 LYS 23 HE2 LYS 23 10.483 -24.136 -2.300 158 HE3 LYS 23 HE3 LYS 23 11.637 -23.132 -3.176 159 HZ1 LYS 23 HZ1 LYS 23 10.756 -21.569 -1.100 160 HZ2 LYS 23 HZ2 LYS 23 12.252 -22.352 -1.208 161 HZ3 LYS 23 HZ3 LYS 23 10.961 -23.101 -0.411 162 H CYS 24 H CYS 24 9.953 -18.940 -4.393 163 HA CYS 24 HA CYS 24 11.113 -18.155 -6.806 164 HB2 CYS 24 HB2 CYS 24 11.303 -17.133 -4.417 165 HB3 CYS 24 HB3 CYS 24 12.688 -18.207 -4.250 166 H SER 25 H SER 25 12.554 -19.053 -8.131 167 HA SER 25 HA SER 25 13.789 -21.586 -7.309 168 HB2 SER 25 HB2 SER 25 12.457 -21.748 -9.328 169 HB3 SER 25 HB3 SER 25 13.327 -20.398 -10.054 170 HG SER 25 HG SER 25 13.926 -22.897 -10.303 171 H SER 26 H SER 26 15.780 -21.385 -6.534 172 HA SER 26 HA SER 26 17.455 -19.148 -7.058 173 HB2 SER 26 HB2 SER 26 18.364 -21.796 -5.927 174 HB3 SER 26 HB3 SER 26 19.047 -20.196 -5.632 175 HG SER 26 HG SER 26 17.370 -21.354 -4.109 176 H LYS 27 H LYS 27 16.822 -22.000 -8.770 177 HA LYS 27 HA LYS 27 19.336 -22.482 -9.962 178 HB2 LYS 27 HB2 LYS 27 16.517 -23.239 -10.549 179 HB3 LYS 27 HB3 LYS 27 17.694 -23.417 -11.845 180 HG2 LYS 27 HG2 LYS 27 17.677 -25.498 -10.820 181 HG3 LYS 27 HG3 LYS 27 19.095 -24.707 -10.127 182 HD2 LYS 27 HD2 LYS 27 17.526 -23.981 -8.234 183 HD3 LYS 27 HD3 LYS 27 16.411 -25.193 -8.869 184 HE2 LYS 27 HE2 LYS 27 17.756 -26.945 -8.262 185 HE3 LYS 27 HE3 LYS 27 19.234 -25.988 -8.365 186 HZ1 LYS 27 HZ1 LYS 27 19.014 -26.186 -6.120 187 HZ2 LYS 27 HZ2 LYS 27 17.324 -26.225 -6.156 188 HZ3 LYS 27 HZ3 LYS 27 18.139 -24.756 -6.351 189 H ASP 28 H ASP 28 16.457 -20.876 -11.331 190 HA ASP 28 HA ASP 28 18.232 -19.483 -13.216 191 HB2 ASP 28 HB2 ASP 28 15.578 -20.658 -13.444 192 HB3 ASP 28 HB3 ASP 28 15.617 -18.993 -14.020 193 H LEU 29 H LEU 29 17.235 -18.896 -10.298 194 HA LEU 29 HA LEU 29 16.668 -17.079 -9.046 195 HB2 LEU 29 HB2 LEU 29 17.944 -15.686 -11.395 196 HB3 LEU 29 HB3 LEU 29 17.574 -14.918 -9.852 197 HG LEU 29 HG LEU 29 19.497 -17.216 -10.206 198 HD11 LEU 29 HD11 LEU 29 21.205 -15.772 -10.474 199 HD12 LEU 29 HD12 LEU 29 20.467 -14.538 -9.453 200 HD13 LEU 29 HD13 LEU 29 19.943 -14.728 -11.127 201 HD21 LEU 29 HD21 LEU 29 19.391 -17.387 -7.998 202 HD22 LEU 29 HD22 LEU 29 18.240 -16.054 -7.916 203 HD23 LEU 29 HD23 LEU 29 19.973 -15.728 -7.864 204 H TRP 30 H TRP 30 14.553 -18.065 -10.569 205 HA TRP 30 HA TRP 30 13.027 -15.594 -11.013 206 HB2 TRP 30 HB2 TRP 30 12.019 -16.412 -12.996 207 HB3 TRP 30 HB3 TRP 30 13.745 -16.715 -13.184 208 HD1 TRP 30 HD1 TRP 30 14.250 -19.419 -11.934 209 HE1 TRP 30 HE1 TRP 30 13.103 -21.572 -12.755 210 HE3 TRP 30 HE3 TRP 30 10.197 -17.344 -14.257 211 HZ2 TRP 30 HZ2 TRP 30 10.787 -22.295 -14.197 212 HZ3 TRP 30 HZ3 TRP 30 8.563 -18.835 -15.334 213 HH2 TRP 30 HH2 TRP 30 8.853 -21.259 -15.303 214 H CYS 31 H CYS 31 10.799 -15.726 -10.555 215 HA CYS 31 HA CYS 31 10.143 -17.489 -8.421 216 HB2 CYS 31 HB2 CYS 31 8.208 -15.780 -9.986 217 HB3 CYS 31 HB3 CYS 31 8.048 -16.342 -8.325 218 H LYS 32 H LYS 32 9.744 -19.577 -8.731 219 HA LYS 32 HA LYS 32 8.519 -20.497 -11.206 220 HB2 LYS 32 HB2 LYS 32 10.046 -21.739 -8.990 221 HB3 LYS 32 HB3 LYS 32 8.839 -22.756 -9.765 222 HG2 LYS 32 HG2 LYS 32 9.895 -22.261 -11.952 223 HG3 LYS 32 HG3 LYS 32 11.159 -21.377 -11.095 224 HD2 LYS 32 HD2 LYS 32 12.172 -23.418 -11.257 225 HD3 LYS 32 HD3 LYS 32 11.311 -23.642 -9.731 226 HE2 LYS 32 HE2 LYS 32 10.795 -25.575 -10.905 227 HE3 LYS 32 HE3 LYS 32 9.398 -24.545 -11.214 228 HZ1 LYS 32 HZ1 LYS 32 11.297 -25.616 -13.054 229 HZ2 LYS 32 HZ2 LYS 32 11.159 -23.939 -13.215 230 HZ3 LYS 32 HZ3 LYS 32 9.786 -24.917 -13.355 231 H TYR 33 H TYR 33 6.916 -22.425 -10.832 232 HA TYR 33 HA TYR 33 4.667 -21.301 -9.405 233 HB2 TYR 33 HB2 TYR 33 4.930 -23.792 -11.100 234 HB3 TYR 33 HB3 TYR 33 3.420 -23.225 -10.396 235 HD1 TYR 33 HD1 TYR 33 5.556 -23.073 -13.220 236 HD2 TYR 33 HD2 TYR 33 2.690 -20.814 -11.032 237 HE1 TYR 33 HE1 TYR 33 5.181 -21.652 -15.191 238 HE2 TYR 33 HE2 TYR 33 2.306 -19.386 -12.998 239 HH TYR 33 HH TYR 33 3.375 -18.728 -15.033 240 H LYS 34 H LYS 34 3.816 -21.995 -7.531 241 HA LYS 34 HA LYS 34 5.346 -23.693 -5.843 242 HB2 LYS 34 HB2 LYS 34 3.593 -21.730 -5.349 243 HB3 LYS 34 HB3 LYS 34 2.511 -23.104 -5.168 244 HG2 LYS 34 HG2 LYS 34 5.106 -23.253 -3.757 245 HG3 LYS 34 HG3 LYS 34 3.923 -22.091 -3.150 246 HD2 LYS 34 HD2 LYS 34 3.025 -24.869 -3.752 247 HD3 LYS 34 HD3 LYS 34 3.962 -24.580 -2.284 248 HE2 LYS 34 HE2 LYS 34 1.496 -23.015 -3.018 249 HE3 LYS 34 HE3 LYS 34 1.460 -24.468 -2.021 250 HZ1 LYS 34 HZ1 LYS 34 2.278 -21.793 -1.337 251 HZ2 LYS 34 HZ2 LYS 34 3.362 -22.983 -0.822 252 HZ3 LYS 34 HZ3 LYS 34 1.743 -23.049 -0.338 253 H ILE 35 H ILE 35 2.691 -24.206 -8.006 254 HA ILE 35 HA ILE 35 2.034 -26.802 -6.879 255 HB ILE 35 HB ILE 35 0.984 -25.583 -9.431 256 HG12 ILE 35 HG12 ILE 35 -0.178 -25.422 -6.642 257 HG13 ILE 35 HG13 ILE 35 0.584 -24.089 -7.503 258 HG21 ILE 35 HG21 ILE 35 -0.903 -27.108 -9.061 259 HG22 ILE 35 HG22 ILE 35 0.621 -27.977 -9.232 260 HG23 ILE 35 HG23 ILE 35 -0.092 -27.753 -7.635 261 HD11 ILE 35 HD11 ILE 35 -2.038 -25.419 -8.026 262 HD12 ILE 35 HD12 ILE 35 -1.674 -23.707 -7.811 263 HD13 ILE 35 HD13 ILE 35 -1.207 -24.528 -9.300 264 H TRP 36 H TRP 36 2.377 -28.775 -7.881 265 HA TRP 36 HA TRP 36 4.374 -28.741 -10.047 266 HB2 TRP 36 HB2 TRP 36 4.019 -30.520 -7.662 267 HB3 TRP 36 HB3 TRP 36 4.795 -31.158 -9.109 268 HD1 TRP 36 HD1 TRP 36 5.231 -27.860 -7.082 269 HE1 TRP 36 HE1 TRP 36 7.755 -27.483 -6.739 270 HE3 TRP 36 HE3 TRP 36 7.007 -32.006 -9.488 271 HZ2 TRP 36 HZ2 TRP 36 10.176 -28.771 -7.401 272 HZ3 TRP 36 HZ3 TRP 36 9.440 -32.360 -9.588 273 HH2 TRP 36 HH2 TRP 36 10.990 -30.775 -8.567 Start of MODEL 4 1 H SER 1 H SER 1 -5.329 -4.494 -4.251 2 HA SER 1 HA SER 1 -3.322 -3.368 -5.159 3 HB2 SER 1 HB2 SER 1 -3.157 -1.541 -3.370 4 HB3 SER 1 HB3 SER 1 -4.754 -1.838 -4.056 5 HG SER 1 HG SER 1 -3.743 -2.599 -1.532 6 H GLU 2 H GLU 2 -2.332 -5.812 -4.091 7 HA GLU 2 HA GLU 2 -0.258 -5.143 -2.188 8 HB2 GLU 2 HB2 GLU 2 -1.586 -7.411 -2.535 9 HB3 GLU 2 HB3 GLU 2 -0.283 -7.732 -3.670 10 HG2 GLU 2 HG2 GLU 2 1.361 -7.539 -1.954 11 HG3 GLU 2 HG3 GLU 2 0.162 -6.960 -0.799 12 H ASP 3 H ASP 3 1.687 -4.409 -2.702 13 HA ASP 3 HA ASP 3 2.501 -4.318 -5.487 14 HB2 ASP 3 HB2 ASP 3 3.805 -3.179 -3.006 15 HB3 ASP 3 HB3 ASP 3 4.347 -2.897 -4.657 16 H CYS 4 H CYS 4 3.048 -6.429 -5.997 17 HA CYS 4 HA CYS 4 5.568 -7.357 -4.813 18 HB2 CYS 4 HB2 CYS 4 4.686 -9.712 -4.957 19 HB3 CYS 4 HB3 CYS 4 3.932 -8.715 -3.717 20 H LEU 5 H LEU 5 6.546 -9.145 -6.188 21 HA LEU 5 HA LEU 5 6.625 -8.217 -8.912 22 HB2 LEU 5 HB2 LEU 5 8.101 -10.348 -7.394 23 HB3 LEU 5 HB3 LEU 5 8.309 -10.121 -9.129 24 HG LEU 5 HG LEU 5 8.738 -7.809 -7.287 25 HD11 LEU 5 HD11 LEU 5 10.248 -9.034 -6.155 26 HD12 LEU 5 HD12 LEU 5 11.248 -8.753 -7.578 27 HD13 LEU 5 HD13 LEU 5 10.355 -10.265 -7.414 28 HD21 LEU 5 HD21 LEU 5 9.657 -6.853 -9.088 29 HD22 LEU 5 HD22 LEU 5 8.861 -8.133 -10.003 30 HD23 LEU 5 HD23 LEU 5 10.549 -8.312 -9.523 31 H GLY 6 H GLY 6 6.909 -10.178 -10.585 32 HA2 GLY 6 HA2 GLY 6 4.370 -11.660 -10.411 33 HA3 GLY 6 HA3 GLY 6 5.192 -11.231 -11.902 34 H TRP 7 H TRP 7 4.643 -13.627 -12.171 35 HA TRP 7 HA TRP 7 6.376 -15.471 -10.785 36 HB2 TRP 7 HB2 TRP 7 5.311 -17.190 -12.100 37 HB3 TRP 7 HB3 TRP 7 4.071 -16.075 -11.533 38 HD1 TRP 7 HD1 TRP 7 5.834 -17.224 -14.725 39 HE1 TRP 7 HE1 TRP 7 4.483 -16.398 -16.755 40 HE3 TRP 7 HE3 TRP 7 2.464 -14.239 -12.301 41 HZ2 TRP 7 HZ2 TRP 7 2.282 -14.707 -17.262 42 HZ3 TRP 7 HZ3 TRP 7 0.769 -13.052 -13.631 43 HH2 TRP 7 HH2 TRP 7 0.683 -13.282 -16.061 44 H ALA 8 H ALA 8 6.281 -13.844 -13.889 45 HA ALA 8 HA ALA 8 8.631 -15.305 -14.821 46 HB1 ALA 8 HB1 ALA 8 7.451 -13.098 -16.416 47 HB2 ALA 8 HB2 ALA 8 8.095 -14.655 -16.936 48 HB3 ALA 8 HB3 ALA 8 6.494 -14.563 -16.203 49 H SER 9 H SER 9 9.068 -13.696 -12.568 50 HA SER 9 HA SER 9 10.673 -11.494 -13.691 51 HB2 SER 9 HB2 SER 9 9.478 -11.718 -10.918 52 HB3 SER 9 HB3 SER 9 10.458 -10.376 -11.508 53 HG SER 9 HG SER 9 8.667 -10.468 -13.273 54 H ARG 10 H ARG 10 12.588 -10.927 -12.250 55 HA ARG 10 HA ARG 10 13.989 -13.418 -11.607 56 HB2 ARG 10 HB2 ARG 10 15.216 -10.678 -11.884 57 HB3 ARG 10 HB3 ARG 10 16.028 -12.236 -11.945 58 HG2 ARG 10 HG2 ARG 10 14.039 -11.265 -13.985 59 HG3 ARG 10 HG3 ARG 10 15.793 -11.160 -14.153 60 HD2 ARG 10 HD2 ARG 10 15.923 -13.617 -13.941 61 HD3 ARG 10 HD3 ARG 10 14.162 -13.681 -13.873 62 HE ARG 10 HE ARG 10 14.749 -12.326 -16.185 63 HH11 ARG 10 HH11 ARG 10 15.502 -15.454 -14.855 64 HH12 ARG 10 HH12 ARG 10 15.610 -16.229 -16.401 65 HH21 ARG 10 HH21 ARG 10 14.888 -13.335 -18.226 66 HH22 ARG 10 HH22 ARG 10 15.262 -15.023 -18.317 67 H CYS 11 H CYS 11 14.596 -13.920 -9.591 68 HA CYS 11 HA CYS 11 14.731 -11.844 -7.547 69 HB2 CYS 11 HB2 CYS 11 13.248 -12.946 -6.028 70 HB3 CYS 11 HB3 CYS 11 12.393 -12.783 -7.559 71 H SER 12 H SER 12 15.333 -13.041 -5.353 72 HA SER 12 HA SER 12 17.299 -15.147 -5.935 73 HB2 SER 12 HB2 SER 12 17.769 -12.470 -4.715 74 HB3 SER 12 HB3 SER 12 18.658 -13.839 -4.047 75 HG SER 12 HG SER 12 19.813 -13.954 -5.813 76 HA PRO 13 HA PRO 13 15.833 -17.199 -2.346 77 HB2 PRO 13 HB2 PRO 13 18.107 -18.255 -1.305 78 HB3 PRO 13 HB3 PRO 13 17.358 -18.860 -2.787 79 HG2 PRO 13 HG2 PRO 13 19.678 -16.997 -2.460 80 HG3 PRO 13 HG3 PRO 13 19.484 -18.355 -3.583 81 HD2 PRO 13 HD2 PRO 13 19.123 -15.779 -4.336 82 HD3 PRO 13 HD3 PRO 13 18.207 -17.121 -5.053 83 H LYS 14 H LYS 14 18.184 -14.696 -2.020 84 HA LYS 14 HA LYS 14 17.923 -14.615 0.887 85 HB2 LYS 14 HB2 LYS 14 19.552 -12.824 -0.920 86 HB3 LYS 14 HB3 LYS 14 19.667 -12.934 0.831 87 HG2 LYS 14 HG2 LYS 14 20.377 -15.307 0.565 88 HG3 LYS 14 HG3 LYS 14 20.426 -15.040 -1.179 89 HD2 LYS 14 HD2 LYS 14 21.909 -13.175 0.616 90 HD3 LYS 14 HD3 LYS 14 22.590 -14.770 0.288 91 HE2 LYS 14 HE2 LYS 14 23.529 -13.507 -1.395 92 HE3 LYS 14 HE3 LYS 14 22.101 -14.158 -2.198 93 HZ1 LYS 14 HZ1 LYS 14 21.158 -12.141 -2.341 94 HZ2 LYS 14 HZ2 LYS 14 22.742 -11.573 -2.179 95 HZ3 LYS 14 HZ3 LYS 14 21.722 -11.630 -0.830 96 H ASN 15 H ASN 15 17.046 -12.791 -1.987 97 HA ASN 15 HA ASN 15 15.416 -11.020 -0.285 98 HB2 ASN 15 HB2 ASN 15 17.039 -10.428 -2.740 99 HB3 ASN 15 HB3 ASN 15 15.634 -9.438 -2.352 100 HD21 ASN 15 HD21 ASN 15 17.795 -8.050 -2.421 101 HD22 ASN 15 HD22 ASN 15 18.437 -7.704 -0.855 102 H ASP 16 H ASP 16 14.026 -13.077 -0.706 103 HA ASP 16 HA ASP 16 12.736 -13.150 -3.293 104 HB2 ASP 16 HB2 ASP 16 13.010 -15.264 -2.223 105 HB3 ASP 16 HB3 ASP 16 12.299 -14.672 -0.724 106 H LYS 17 H LYS 17 11.402 -11.523 -3.766 107 HA LYS 17 HA LYS 17 9.336 -10.823 -1.789 108 HB2 LYS 17 HB2 LYS 17 10.901 -8.965 -3.583 109 HB3 LYS 17 HB3 LYS 17 9.417 -8.490 -2.767 110 HG2 LYS 17 HG2 LYS 17 10.980 -7.716 -1.293 111 HG3 LYS 17 HG3 LYS 17 10.686 -9.326 -0.633 112 HD2 LYS 17 HD2 LYS 17 12.728 -10.111 -1.274 113 HD3 LYS 17 HD3 LYS 17 12.806 -9.062 -2.692 114 HE2 LYS 17 HE2 LYS 17 14.440 -8.206 -1.260 115 HE3 LYS 17 HE3 LYS 17 13.057 -7.139 -1.019 116 HZ1 LYS 17 HZ1 LYS 17 13.096 -9.406 0.754 117 HZ2 LYS 17 HZ2 LYS 17 12.853 -7.767 1.097 118 HZ3 LYS 17 HZ3 LYS 17 14.424 -8.378 0.950 119 H CYS 18 H CYS 18 8.653 -12.742 -3.427 120 HA CYS 18 HA CYS 18 7.210 -11.474 -5.659 121 HB2 CYS 18 HB2 CYS 18 8.354 -14.222 -5.289 122 HB3 CYS 18 HB3 CYS 18 7.006 -13.976 -6.396 123 H CYS 19 H CYS 19 5.046 -12.211 -6.099 124 HA CYS 19 HA CYS 19 3.342 -12.175 -3.929 125 HB2 CYS 19 HB2 CYS 19 3.063 -12.951 -6.787 126 HB3 CYS 19 HB3 CYS 19 1.769 -13.428 -5.693 127 HA PRO 20 HA PRO 20 3.198 -16.191 -2.173 128 HB2 PRO 20 HB2 PRO 20 0.552 -16.511 -1.654 129 HB3 PRO 20 HB3 PRO 20 1.584 -15.406 -0.738 130 HG2 PRO 20 HG2 PRO 20 -0.308 -14.814 -2.983 131 HG3 PRO 20 HG3 PRO 20 -0.052 -13.923 -1.471 132 HD2 PRO 20 HD2 PRO 20 1.026 -13.134 -3.826 133 HD3 PRO 20 HD3 PRO 20 1.831 -12.860 -2.267 134 H ASN 21 H ASN 21 1.896 -18.335 -2.284 135 HA ASN 21 HA ASN 21 1.273 -20.163 -3.486 136 HB2 ASN 21 HB2 ASN 21 0.224 -18.377 -5.663 137 HB3 ASN 21 HB3 ASN 21 -0.404 -19.924 -5.103 138 HD21 ASN 21 HD21 ASN 21 -0.820 -19.740 -2.553 139 HD22 ASN 21 HD22 ASN 21 -1.860 -18.425 -2.137 140 H TYR 22 H TYR 22 3.856 -18.769 -3.953 141 HA TYR 22 HA TYR 22 4.504 -20.084 -6.497 142 HB2 TYR 22 HB2 TYR 22 5.249 -17.285 -5.662 143 HB3 TYR 22 HB3 TYR 22 6.151 -18.166 -6.890 144 HD1 TYR 22 HD1 TYR 22 4.065 -19.522 -8.403 145 HD2 TYR 22 HD2 TYR 22 4.100 -15.597 -6.762 146 HE1 TYR 22 HE1 TYR 22 2.450 -18.800 -10.112 147 HE2 TYR 22 HE2 TYR 22 2.485 -14.863 -8.467 148 HH TYR 22 HH TYR 22 0.942 -15.654 -10.003 149 H LYS 23 H LYS 23 7.109 -19.885 -6.680 150 HA LYS 23 HA LYS 23 8.404 -20.316 -4.124 151 HB2 LYS 23 HB2 LYS 23 7.296 -22.517 -5.069 152 HB3 LYS 23 HB3 LYS 23 8.715 -22.531 -6.108 153 HG2 LYS 23 HG2 LYS 23 8.990 -22.249 -3.142 154 HG3 LYS 23 HG3 LYS 23 8.784 -23.833 -3.893 155 HD2 LYS 23 HD2 LYS 23 10.757 -23.437 -5.281 156 HD3 LYS 23 HD3 LYS 23 10.957 -21.842 -4.550 157 HE2 LYS 23 HE2 LYS 23 11.353 -22.839 -2.387 158 HE3 LYS 23 HE3 LYS 23 11.017 -24.446 -3.029 159 HZ1 LYS 23 HZ1 LYS 23 13.237 -24.513 -3.241 160 HZ2 LYS 23 HZ2 LYS 23 13.414 -22.832 -3.247 161 HZ3 LYS 23 HZ3 LYS 23 12.962 -23.640 -4.662 162 H CYS 24 H CYS 24 10.064 -18.961 -4.371 163 HA CYS 24 HA CYS 24 11.224 -18.172 -6.779 164 HB2 CYS 24 HB2 CYS 24 11.425 -17.133 -4.418 165 HB3 CYS 24 HB3 CYS 24 12.769 -18.249 -4.200 166 H SER 25 H SER 25 12.408 -19.266 -8.185 167 HA SER 25 HA SER 25 13.704 -21.745 -7.364 168 HB2 SER 25 HB2 SER 25 12.363 -21.853 -9.380 169 HB3 SER 25 HB3 SER 25 13.263 -20.516 -10.095 170 HG SER 25 HG SER 25 14.216 -23.115 -9.483 171 H SER 26 H SER 26 15.704 -21.606 -6.603 172 HA SER 26 HA SER 26 17.424 -19.396 -7.094 173 HB2 SER 26 HB2 SER 26 18.309 -22.077 -6.029 174 HB3 SER 26 HB3 SER 26 18.987 -20.487 -5.682 175 HG SER 26 HG SER 26 17.483 -21.547 -4.083 176 H LYS 27 H LYS 27 16.727 -22.208 -8.851 177 HA LYS 27 HA LYS 27 19.222 -22.715 -10.069 178 HB2 LYS 27 HB2 LYS 27 16.387 -23.412 -10.642 179 HB3 LYS 27 HB3 LYS 27 17.541 -23.579 -11.958 180 HG2 LYS 27 HG2 LYS 27 17.719 -25.657 -11.086 181 HG3 LYS 27 HG3 LYS 27 18.913 -24.849 -10.067 182 HD2 LYS 27 HD2 LYS 27 17.749 -25.579 -8.312 183 HD3 LYS 27 HD3 LYS 27 16.494 -24.424 -8.768 184 HE2 LYS 27 HE2 LYS 27 15.455 -26.555 -8.535 185 HE3 LYS 27 HE3 LYS 27 15.533 -26.192 -10.257 186 HZ1 LYS 27 HZ1 LYS 27 17.823 -27.628 -9.279 187 HZ2 LYS 27 HZ2 LYS 27 16.854 -27.932 -10.632 188 HZ3 LYS 27 HZ3 LYS 27 16.375 -28.486 -9.107 189 H ASP 28 H ASP 28 16.367 -21.029 -11.390 190 HA ASP 28 HA ASP 28 18.156 -19.643 -13.268 191 HB2 ASP 28 HB2 ASP 28 15.434 -20.705 -13.460 192 HB3 ASP 28 HB3 ASP 28 15.582 -19.060 -14.072 193 H LEU 29 H LEU 29 17.198 -19.086 -10.327 194 HA LEU 29 HA LEU 29 16.693 -17.278 -9.036 195 HB2 LEU 29 HB2 LEU 29 17.996 -15.891 -11.372 196 HB3 LEU 29 HB3 LEU 29 17.642 -15.122 -9.827 197 HG LEU 29 HG LEU 29 19.508 -17.464 -10.188 198 HD11 LEU 29 HD11 LEU 29 21.061 -15.387 -9.417 199 HD12 LEU 29 HD12 LEU 29 19.899 -14.565 -10.458 200 HD13 LEU 29 HD13 LEU 29 20.853 -15.908 -11.090 201 HD21 LEU 29 HD21 LEU 29 18.509 -15.922 -7.862 202 HD22 LEU 29 HD22 LEU 29 20.213 -16.378 -7.864 203 HD23 LEU 29 HD23 LEU 29 18.967 -17.620 -7.986 204 H TRP 30 H TRP 30 14.541 -18.178 -10.564 205 HA TRP 30 HA TRP 30 13.076 -15.660 -10.944 206 HB2 TRP 30 HB2 TRP 30 12.037 -16.405 -12.938 207 HB3 TRP 30 HB3 TRP 30 13.750 -16.757 -13.143 208 HD1 TRP 30 HD1 TRP 30 14.178 -19.500 -11.948 209 HE1 TRP 30 HE1 TRP 30 12.961 -21.600 -12.808 210 HE3 TRP 30 HE3 TRP 30 10.184 -17.254 -14.214 211 HZ2 TRP 30 HZ2 TRP 30 10.619 -22.221 -14.255 212 HZ3 TRP 30 HZ3 TRP 30 8.500 -18.672 -15.314 213 HH2 TRP 30 HH2 TRP 30 8.716 -21.104 -15.333 214 H CYS 31 H CYS 31 10.862 -15.732 -10.443 215 HA CYS 31 HA CYS 31 10.170 -17.510 -8.344 216 HB2 CYS 31 HB2 CYS 31 8.269 -15.751 -9.898 217 HB3 CYS 31 HB3 CYS 31 8.086 -16.335 -8.246 218 H LYS 32 H LYS 32 9.757 -19.592 -8.679 219 HA LYS 32 HA LYS 32 8.496 -20.472 -11.150 220 HB2 LYS 32 HB2 LYS 32 10.079 -21.730 -9.000 221 HB3 LYS 32 HB3 LYS 32 8.808 -22.739 -9.679 222 HG2 LYS 32 HG2 LYS 32 9.767 -22.189 -11.953 223 HG3 LYS 32 HG3 LYS 32 11.150 -21.503 -11.097 224 HD2 LYS 32 HD2 LYS 32 11.763 -23.581 -10.197 225 HD3 LYS 32 HD3 LYS 32 10.191 -24.298 -10.558 226 HE2 LYS 32 HE2 LYS 32 10.838 -23.786 -13.029 227 HE3 LYS 32 HE3 LYS 32 12.480 -23.714 -12.391 228 HZ1 LYS 32 HZ1 LYS 32 11.816 -25.930 -13.235 229 HZ2 LYS 32 HZ2 LYS 32 10.656 -26.023 -12.008 230 HZ3 LYS 32 HZ3 LYS 32 12.299 -25.946 -11.614 231 H TYR 33 H TYR 33 6.813 -22.274 -10.889 232 HA TYR 33 HA TYR 33 4.627 -21.182 -9.367 233 HB2 TYR 33 HB2 TYR 33 4.887 -22.753 -11.689 234 HB3 TYR 33 HB3 TYR 33 4.041 -23.758 -10.518 235 HD1 TYR 33 HD1 TYR 33 3.552 -21.525 -13.101 236 HD2 TYR 33 HD2 TYR 33 2.157 -22.333 -9.163 237 HE1 TYR 33 HE1 TYR 33 1.459 -20.336 -13.605 238 HE2 TYR 33 HE2 TYR 33 0.059 -21.148 -9.658 239 HH TYR 33 HH TYR 33 -0.948 -19.719 -11.120 240 H LYS 34 H LYS 34 3.585 -22.087 -7.632 241 HA LYS 34 HA LYS 34 5.153 -23.847 -5.985 242 HB2 LYS 34 HB2 LYS 34 3.444 -21.838 -5.410 243 HB3 LYS 34 HB3 LYS 34 2.367 -23.213 -5.208 244 HG2 LYS 34 HG2 LYS 34 4.310 -24.164 -3.754 245 HG3 LYS 34 HG3 LYS 34 4.801 -22.471 -3.658 246 HD2 LYS 34 HD2 LYS 34 2.988 -21.875 -2.413 247 HD3 LYS 34 HD3 LYS 34 1.945 -23.095 -3.149 248 HE2 LYS 34 HE2 LYS 34 4.165 -23.691 -1.196 249 HE3 LYS 34 HE3 LYS 34 2.467 -23.521 -0.753 250 HZ1 LYS 34 HZ1 LYS 34 2.873 -25.363 -2.910 251 HZ2 LYS 34 HZ2 LYS 34 2.022 -25.569 -1.463 252 HZ3 LYS 34 HZ3 LYS 34 3.693 -25.828 -1.504 253 H ILE 35 H ILE 35 2.458 -24.147 -8.136 254 HA ILE 35 HA ILE 35 1.717 -26.770 -7.122 255 HB ILE 35 HB ILE 35 0.649 -25.293 -9.529 256 HG12 ILE 35 HG12 ILE 35 -0.527 -25.524 -6.751 257 HG13 ILE 35 HG13 ILE 35 0.292 -24.096 -7.375 258 HG21 ILE 35 HG21 ILE 35 -1.230 -26.851 -9.367 259 HG22 ILE 35 HG22 ILE 35 0.292 -27.700 -9.634 260 HG23 ILE 35 HG23 ILE 35 -0.433 -27.673 -8.026 261 HD11 ILE 35 HD11 ILE 35 -2.141 -23.891 -7.463 262 HD12 ILE 35 HD12 ILE 35 -1.413 -23.828 -9.069 263 HD13 ILE 35 HD13 ILE 35 -2.215 -25.300 -8.520 264 H TRP 36 H TRP 36 2.109 -28.694 -8.123 265 HA TRP 36 HA TRP 36 4.186 -28.677 -10.166 266 HB2 TRP 36 HB2 TRP 36 4.423 -30.117 -8.155 267 HB3 TRP 36 HB3 TRP 36 2.992 -31.012 -8.658 268 HD1 TRP 36 HD1 TRP 36 6.538 -30.215 -10.018 269 HE1 TRP 36 HE1 TRP 36 7.325 -32.236 -11.404 270 HE3 TRP 36 HE3 TRP 36 2.314 -33.083 -9.743 271 HZ2 TRP 36 HZ2 TRP 36 6.292 -34.718 -12.266 272 HZ3 TRP 36 HZ3 TRP 36 2.296 -35.267 -10.876 273 HH2 TRP 36 HH2 TRP 36 4.245 -36.065 -12.111 Start of MODEL 5 1 H SER 1 H SER 1 -4.553 -4.354 -1.856 2 HA SER 1 HA SER 1 -3.637 -6.292 -3.786 3 HB2 SER 1 HB2 SER 1 -2.817 -4.450 -5.352 4 HB3 SER 1 HB3 SER 1 -4.548 -4.787 -5.383 5 HG SER 1 HG SER 1 -3.244 -2.507 -4.696 6 H GLU 2 H GLU 2 -1.412 -6.494 -3.832 7 HA GLU 2 HA GLU 2 0.101 -4.684 -2.070 8 HB2 GLU 2 HB2 GLU 2 0.397 -7.689 -2.224 9 HB3 GLU 2 HB3 GLU 2 1.385 -6.610 -1.250 10 HG2 GLU 2 HG2 GLU 2 -1.582 -6.693 -0.894 11 HG3 GLU 2 HG3 GLU 2 -0.544 -7.900 -0.135 12 H ASP 3 H ASP 3 2.168 -4.175 -2.698 13 HA ASP 3 HA ASP 3 2.769 -4.457 -5.474 14 HB2 ASP 3 HB2 ASP 3 4.397 -3.325 -3.190 15 HB3 ASP 3 HB3 ASP 3 4.856 -3.222 -4.887 16 H CYS 4 H CYS 4 3.037 -6.644 -5.905 17 HA CYS 4 HA CYS 4 5.528 -7.806 -4.851 18 HB2 CYS 4 HB2 CYS 4 4.398 -10.053 -5.043 19 HB3 CYS 4 HB3 CYS 4 3.778 -9.014 -3.763 20 H LEU 5 H LEU 5 6.675 -9.175 -6.278 21 HA LEU 5 HA LEU 5 6.581 -8.364 -8.996 22 HB2 LEU 5 HB2 LEU 5 8.152 -10.389 -7.454 23 HB3 LEU 5 HB3 LEU 5 8.245 -10.348 -9.214 24 HG LEU 5 HG LEU 5 8.785 -7.871 -7.625 25 HD11 LEU 5 HD11 LEU 5 11.049 -9.642 -8.366 26 HD12 LEU 5 HD12 LEU 5 10.136 -10.025 -6.907 27 HD13 LEU 5 HD13 LEU 5 10.916 -8.452 -7.070 28 HD21 LEU 5 HD21 LEU 5 8.650 -8.389 -10.304 29 HD22 LEU 5 HD22 LEU 5 10.378 -8.541 -9.983 30 HD23 LEU 5 HD23 LEU 5 9.532 -7.050 -9.569 31 H GLY 6 H GLY 6 6.836 -10.298 -10.695 32 HA2 GLY 6 HA2 GLY 6 4.328 -11.823 -10.458 33 HA3 GLY 6 HA3 GLY 6 5.102 -11.371 -11.969 34 H TRP 7 H TRP 7 4.618 -13.752 -12.295 35 HA TRP 7 HA TRP 7 6.379 -15.600 -10.950 36 HB2 TRP 7 HB2 TRP 7 5.335 -17.307 -12.291 37 HB3 TRP 7 HB3 TRP 7 4.077 -16.215 -11.716 38 HD1 TRP 7 HD1 TRP 7 5.828 -17.357 -14.905 39 HE1 TRP 7 HE1 TRP 7 4.501 -16.497 -16.936 40 HE3 TRP 7 HE3 TRP 7 2.521 -14.305 -12.479 41 HZ2 TRP 7 HZ2 TRP 7 2.337 -14.754 -17.442 42 HZ3 TRP 7 HZ3 TRP 7 0.855 -13.077 -13.809 43 HH2 TRP 7 HH2 TRP 7 0.767 -13.297 -16.239 44 H ALA 8 H ALA 8 6.259 -13.902 -14.013 45 HA ALA 8 HA ALA 8 8.632 -15.306 -14.976 46 HB1 ALA 8 HB1 ALA 8 7.995 -14.751 -17.058 47 HB2 ALA 8 HB2 ALA 8 6.432 -14.442 -16.301 48 HB3 ALA 8 HB3 ALA 8 7.548 -13.109 -16.596 49 H SER 9 H SER 9 8.991 -13.690 -12.686 50 HA SER 9 HA SER 9 10.602 -11.476 -13.778 51 HB2 SER 9 HB2 SER 9 8.570 -11.064 -12.139 52 HB3 SER 9 HB3 SER 9 9.752 -11.515 -10.910 53 HG SER 9 HG SER 9 10.261 -9.543 -12.876 54 H ARG 10 H ARG 10 12.467 -10.879 -12.286 55 HA ARG 10 HA ARG 10 13.888 -13.347 -11.610 56 HB2 ARG 10 HB2 ARG 10 15.036 -10.565 -11.826 57 HB3 ARG 10 HB3 ARG 10 15.915 -12.088 -11.810 58 HG2 ARG 10 HG2 ARG 10 13.985 -11.297 -13.978 59 HG3 ARG 10 HG3 ARG 10 15.724 -11.003 -14.048 60 HD2 ARG 10 HD2 ARG 10 16.215 -13.306 -14.083 61 HD3 ARG 10 HD3 ARG 10 14.585 -13.742 -13.573 62 HE ARG 10 HE ARG 10 14.417 -12.396 -16.020 63 HH11 ARG 10 HH11 ARG 10 15.615 -15.393 -14.716 64 HH12 ARG 10 HH12 ARG 10 15.389 -16.275 -16.190 65 HH21 ARG 10 HH21 ARG 10 14.115 -13.547 -17.966 66 HH22 ARG 10 HH22 ARG 10 14.536 -15.224 -18.038 67 H CYS 11 H CYS 11 14.962 -13.623 -9.637 68 HA CYS 11 HA CYS 11 14.836 -11.671 -7.552 69 HB2 CYS 11 HB2 CYS 11 13.310 -12.755 -6.064 70 HB3 CYS 11 HB3 CYS 11 12.484 -12.574 -7.608 71 H SER 12 H SER 12 15.367 -12.900 -5.350 72 HA SER 12 HA SER 12 17.307 -15.036 -5.902 73 HB2 SER 12 HB2 SER 12 17.821 -12.360 -4.706 74 HB3 SER 12 HB3 SER 12 18.658 -13.737 -3.992 75 HG SER 12 HG SER 12 19.905 -12.883 -5.656 76 HA PRO 13 HA PRO 13 15.756 -17.042 -2.324 77 HB2 PRO 13 HB2 PRO 13 17.994 -18.142 -1.251 78 HB3 PRO 13 HB3 PRO 13 17.252 -18.736 -2.741 79 HG2 PRO 13 HG2 PRO 13 19.606 -16.920 -2.391 80 HG3 PRO 13 HG3 PRO 13 19.398 -18.279 -3.512 81 HD2 PRO 13 HD2 PRO 13 19.099 -15.699 -4.279 82 HD3 PRO 13 HD3 PRO 13 18.165 -17.024 -5.002 83 H LYS 14 H LYS 14 18.365 -14.756 -1.899 84 HA LYS 14 HA LYS 14 18.130 -14.637 0.965 85 HB2 LYS 14 HB2 LYS 14 19.717 -12.786 0.813 86 HB3 LYS 14 HB3 LYS 14 20.263 -14.155 -0.147 87 HG2 LYS 14 HG2 LYS 14 19.221 -12.981 -2.142 88 HG3 LYS 14 HG3 LYS 14 19.092 -11.561 -1.102 89 HD2 LYS 14 HD2 LYS 14 21.128 -11.186 -2.104 90 HD3 LYS 14 HD3 LYS 14 21.628 -12.047 -0.646 91 HE2 LYS 14 HE2 LYS 14 21.438 -14.168 -2.091 92 HE3 LYS 14 HE3 LYS 14 21.438 -13.061 -3.463 93 HZ1 LYS 14 HZ1 LYS 14 23.567 -13.351 -1.415 94 HZ2 LYS 14 HZ2 LYS 14 23.555 -12.155 -2.612 95 HZ3 LYS 14 HZ3 LYS 14 23.662 -13.786 -3.048 96 H ASN 15 H ASN 15 16.971 -12.758 -1.781 97 HA ASN 15 HA ASN 15 15.135 -11.365 0.041 98 HB2 ASN 15 HB2 ASN 15 16.815 -10.113 -2.137 99 HB3 ASN 15 HB3 ASN 15 15.426 -9.312 -1.410 100 HD21 ASN 15 HD21 ASN 15 18.513 -9.033 -1.408 101 HD22 ASN 15 HD22 ASN 15 18.865 -8.719 0.254 102 H ASP 16 H ASP 16 13.668 -13.037 -0.726 103 HA ASP 16 HA ASP 16 12.816 -12.781 -3.513 104 HB2 ASP 16 HB2 ASP 16 13.032 -15.048 -2.911 105 HB3 ASP 16 HB3 ASP 16 12.257 -14.797 -1.349 106 H LYS 17 H LYS 17 11.459 -11.136 -3.837 107 HA LYS 17 HA LYS 17 9.253 -10.757 -1.918 108 HB2 LYS 17 HB2 LYS 17 9.171 -8.405 -2.733 109 HB3 LYS 17 HB3 LYS 17 10.676 -8.815 -1.922 110 HG2 LYS 17 HG2 LYS 17 10.579 -9.113 -4.870 111 HG3 LYS 17 HG3 LYS 17 10.619 -7.479 -4.204 112 HD2 LYS 17 HD2 LYS 17 12.728 -7.728 -3.357 113 HD3 LYS 17 HD3 LYS 17 12.546 -9.468 -3.124 114 HE2 LYS 17 HE2 LYS 17 14.100 -9.208 -4.881 115 HE3 LYS 17 HE3 LYS 17 12.581 -9.674 -5.645 116 HZ1 LYS 17 HZ1 LYS 17 13.066 -7.930 -6.957 117 HZ2 LYS 17 HZ2 LYS 17 14.046 -7.171 -5.805 118 HZ3 LYS 17 HZ3 LYS 17 12.363 -7.030 -5.708 119 H CYS 18 H CYS 18 8.575 -12.651 -3.493 120 HA CYS 18 HA CYS 18 7.142 -11.463 -5.777 121 HB2 CYS 18 HB2 CYS 18 8.243 -14.225 -5.313 122 HB3 CYS 18 HB3 CYS 18 6.987 -13.934 -6.512 123 H CYS 19 H CYS 19 4.992 -12.239 -6.218 124 HA CYS 19 HA CYS 19 3.266 -12.163 -4.067 125 HB2 CYS 19 HB2 CYS 19 3.027 -13.029 -6.904 126 HB3 CYS 19 HB3 CYS 19 1.727 -13.489 -5.809 127 HA PRO 20 HA PRO 20 3.153 -16.126 -2.192 128 HB2 PRO 20 HB2 PRO 20 0.507 -16.467 -1.694 129 HB3 PRO 20 HB3 PRO 20 1.512 -15.319 -0.802 130 HG2 PRO 20 HG2 PRO 20 -0.360 -14.823 -3.084 131 HG3 PRO 20 HG3 PRO 20 -0.135 -13.883 -1.597 132 HD2 PRO 20 HD2 PRO 20 0.960 -13.151 -3.963 133 HD3 PRO 20 HD3 PRO 20 1.744 -12.819 -2.404 134 H ASN 21 H ASN 21 1.931 -18.299 -2.261 135 HA ASN 21 HA ASN 21 1.355 -20.173 -3.414 136 HB2 ASN 21 HB2 ASN 21 0.219 -18.354 -5.539 137 HB3 ASN 21 HB3 ASN 21 -0.265 -20.004 -5.158 138 HD21 ASN 21 HD21 ASN 21 -1.563 -20.394 -3.381 139 HD22 ASN 21 HD22 ASN 21 -2.411 -19.132 -2.559 140 H TYR 22 H TYR 22 3.891 -18.701 -3.937 141 HA TYR 22 HA TYR 22 4.557 -20.042 -6.465 142 HB2 TYR 22 HB2 TYR 22 5.245 -17.226 -5.648 143 HB3 TYR 22 HB3 TYR 22 6.183 -18.097 -6.856 144 HD1 TYR 22 HD1 TYR 22 4.136 -19.516 -8.374 145 HD2 TYR 22 HD2 TYR 22 4.085 -15.569 -6.787 146 HE1 TYR 22 HE1 TYR 22 2.529 -18.846 -10.111 147 HE2 TYR 22 HE2 TYR 22 2.477 -14.887 -8.518 148 HH TYR 22 HH TYR 22 1.065 -17.225 -10.737 149 H LYS 23 H LYS 23 7.157 -19.809 -6.657 150 HA LYS 23 HA LYS 23 8.470 -20.204 -4.104 151 HB2 LYS 23 HB2 LYS 23 7.379 -22.427 -5.029 152 HB3 LYS 23 HB3 LYS 23 8.803 -22.438 -6.061 153 HG2 LYS 23 HG2 LYS 23 9.108 -22.085 -3.113 154 HG3 LYS 23 HG3 LYS 23 8.835 -23.692 -3.790 155 HD2 LYS 23 HD2 LYS 23 10.812 -23.567 -5.103 156 HD3 LYS 23 HD3 LYS 23 11.011 -21.847 -4.757 157 HE2 LYS 23 HE2 LYS 23 12.557 -23.278 -3.465 158 HE3 LYS 23 HE3 LYS 23 11.485 -22.322 -2.442 159 HZ1 LYS 23 HZ1 LYS 23 11.859 -24.845 -1.981 160 HZ2 LYS 23 HZ2 LYS 23 10.679 -25.045 -3.175 161 HZ3 LYS 23 HZ3 LYS 23 10.325 -24.158 -1.779 162 H CYS 24 H CYS 24 10.112 -18.833 -4.377 163 HA CYS 24 HA CYS 24 11.253 -18.073 -6.808 164 HB2 CYS 24 HB2 CYS 24 11.433 -16.986 -4.460 165 HB3 CYS 24 HB3 CYS 24 12.812 -18.057 -4.239 166 H SER 25 H SER 25 12.320 -19.304 -8.200 167 HA SER 25 HA SER 25 13.686 -21.703 -7.320 168 HB2 SER 25 HB2 SER 25 12.368 -21.840 -9.353 169 HB3 SER 25 HB3 SER 25 13.278 -20.515 -10.075 170 HG SER 25 HG SER 25 14.073 -23.164 -9.583 171 H SER 26 H SER 26 15.678 -21.554 -6.543 172 HA SER 26 HA SER 26 17.397 -19.344 -7.037 173 HB2 SER 26 HB2 SER 26 18.218 -22.026 -5.912 174 HB3 SER 26 HB3 SER 26 18.979 -20.460 -5.632 175 HG SER 26 HG SER 26 17.193 -21.557 -4.132 176 H LYS 27 H LYS 27 16.736 -22.190 -8.761 177 HA LYS 27 HA LYS 27 19.244 -22.696 -9.950 178 HB2 LYS 27 HB2 LYS 27 16.419 -23.416 -10.535 179 HB3 LYS 27 HB3 LYS 27 17.577 -23.580 -11.848 180 HG2 LYS 27 HG2 LYS 27 17.414 -25.682 -10.754 181 HG3 LYS 27 HG3 LYS 27 18.980 -24.984 -10.336 182 HD2 LYS 27 HD2 LYS 27 18.062 -24.224 -8.194 183 HD3 LYS 27 HD3 LYS 27 16.501 -24.933 -8.614 184 HE2 LYS 27 HE2 LYS 27 17.599 -27.147 -8.765 185 HE3 LYS 27 HE3 LYS 27 19.107 -26.405 -8.233 186 HZ1 LYS 27 HZ1 LYS 27 17.572 -27.541 -6.516 187 HZ2 LYS 27 HZ2 LYS 27 16.675 -26.110 -6.602 188 HZ3 LYS 27 HZ3 LYS 27 18.297 -26.065 -6.122 189 H ASP 28 H ASP 28 16.397 -21.037 -11.322 190 HA ASP 28 HA ASP 28 18.200 -19.668 -13.198 191 HB2 ASP 28 HB2 ASP 28 15.546 -20.810 -13.442 192 HB3 ASP 28 HB3 ASP 28 15.564 -19.123 -13.953 193 H LEU 29 H LEU 29 17.214 -19.079 -10.272 194 HA LEU 29 HA LEU 29 16.695 -17.256 -9.007 195 HB2 LEU 29 HB2 LEU 29 17.924 -15.772 -11.324 196 HB3 LEU 29 HB3 LEU 29 17.727 -15.167 -9.680 197 HG LEU 29 HG LEU 29 19.433 -17.559 -10.330 198 HD11 LEU 29 HD11 LEU 29 19.947 -15.067 -11.312 199 HD12 LEU 29 HD12 LEU 29 21.166 -16.291 -10.954 200 HD13 LEU 29 HD13 LEU 29 20.801 -15.038 -9.768 201 HD21 LEU 29 HD21 LEU 29 19.739 -15.672 -8.027 202 HD22 LEU 29 HD22 LEU 29 20.267 -17.349 -8.178 203 HD23 LEU 29 HD23 LEU 29 18.555 -16.978 -7.967 204 H TRP 30 H TRP 30 14.560 -18.174 -10.552 205 HA TRP 30 HA TRP 30 13.099 -15.659 -10.971 206 HB2 TRP 30 HB2 TRP 30 12.085 -16.421 -12.971 207 HB3 TRP 30 HB3 TRP 30 13.800 -16.779 -13.152 208 HD1 TRP 30 HD1 TRP 30 14.203 -19.512 -11.921 209 HE1 TRP 30 HE1 TRP 30 12.994 -21.617 -12.776 210 HE3 TRP 30 HE3 TRP 30 10.250 -17.277 -14.267 211 HZ2 TRP 30 HZ2 TRP 30 10.671 -22.246 -14.251 212 HZ3 TRP 30 HZ3 TRP 30 8.578 -18.702 -15.377 213 HH2 TRP 30 HH2 TRP 30 8.787 -21.134 -15.369 214 H CYS 31 H CYS 31 10.886 -15.722 -10.484 215 HA CYS 31 HA CYS 31 10.171 -17.494 -8.385 216 HB2 CYS 31 HB2 CYS 31 8.289 -15.724 -9.950 217 HB3 CYS 31 HB3 CYS 31 8.096 -16.303 -8.299 218 H LYS 32 H LYS 32 9.694 -19.563 -8.689 219 HA LYS 32 HA LYS 32 8.489 -20.452 -11.185 220 HB2 LYS 32 HB2 LYS 32 9.947 -21.727 -8.948 221 HB3 LYS 32 HB3 LYS 32 8.706 -22.711 -9.713 222 HG2 LYS 32 HG2 LYS 32 9.808 -22.185 -11.916 223 HG3 LYS 32 HG3 LYS 32 11.136 -21.486 -10.987 224 HD2 LYS 32 HD2 LYS 32 11.587 -23.592 -9.931 225 HD3 LYS 32 HD3 LYS 32 10.138 -24.311 -10.639 226 HE2 LYS 32 HE2 LYS 32 11.319 -23.558 -12.889 227 HE3 LYS 32 HE3 LYS 32 12.763 -23.688 -11.887 228 HZ1 LYS 32 HZ1 LYS 32 11.861 -25.975 -11.279 229 HZ2 LYS 32 HZ2 LYS 32 12.516 -25.784 -12.827 230 HZ3 LYS 32 HZ3 LYS 32 10.837 -25.805 -12.616 231 H TYR 33 H TYR 33 6.865 -22.409 -10.743 232 HA TYR 33 HA TYR 33 4.616 -21.187 -9.364 233 HB2 TYR 33 HB2 TYR 33 3.315 -23.048 -10.410 234 HB3 TYR 33 HB3 TYR 33 4.166 -22.035 -11.571 235 HD1 TYR 33 HD1 TYR 33 4.188 -25.318 -9.878 236 HD2 TYR 33 HD2 TYR 33 5.854 -22.937 -12.986 237 HE1 TYR 33 HE1 TYR 33 5.259 -27.318 -10.828 238 HE2 TYR 33 HE2 TYR 33 6.929 -24.931 -13.945 239 HH TYR 33 HH TYR 33 6.570 -28.123 -12.423 240 H LYS 34 H LYS 34 3.553 -22.036 -7.623 241 HA LYS 34 HA LYS 34 5.039 -23.991 -6.059 242 HB2 LYS 34 HB2 LYS 34 3.868 -21.706 -5.299 243 HB3 LYS 34 HB3 LYS 34 2.512 -22.796 -5.042 244 HG2 LYS 34 HG2 LYS 34 4.350 -24.216 -3.784 245 HG3 LYS 34 HG3 LYS 34 5.115 -22.633 -3.627 246 HD2 LYS 34 HD2 LYS 34 3.335 -21.765 -2.390 247 HD3 LYS 34 HD3 LYS 34 2.226 -23.031 -2.923 248 HE2 LYS 34 HE2 LYS 34 4.647 -23.728 -1.311 249 HE3 LYS 34 HE3 LYS 34 3.207 -23.096 -0.514 250 HZ1 LYS 34 HZ1 LYS 34 3.669 -25.686 -1.701 251 HZ2 LYS 34 HZ2 LYS 34 2.179 -24.998 -2.106 252 HZ3 LYS 34 HZ3 LYS 34 2.589 -25.231 -0.482 253 H ILE 35 H ILE 35 2.126 -23.741 -7.915 254 HA ILE 35 HA ILE 35 1.413 -26.486 -7.109 255 HB ILE 35 HB ILE 35 -0.539 -24.399 -8.078 256 HG12 ILE 35 HG12 ILE 35 0.398 -23.752 -5.895 257 HG13 ILE 35 HG13 ILE 35 -1.293 -24.218 -5.755 258 HG21 ILE 35 HG21 ILE 35 -1.419 -26.515 -8.546 259 HG22 ILE 35 HG22 ILE 35 -0.801 -27.202 -7.043 260 HG23 ILE 35 HG23 ILE 35 -2.153 -26.070 -7.005 261 HD11 ILE 35 HD11 ILE 35 0.232 -25.052 -3.947 262 HD12 ILE 35 HD12 ILE 35 -0.732 -26.285 -4.761 263 HD13 ILE 35 HD13 ILE 35 0.975 -26.093 -5.162 264 H TRP 36 H TRP 36 1.065 -27.954 -8.695 265 HA TRP 36 HA TRP 36 1.970 -27.316 -11.335 266 HB2 TRP 36 HB2 TRP 36 1.427 -29.716 -11.808 267 HB3 TRP 36 HB3 TRP 36 2.510 -29.480 -10.439 268 HD1 TRP 36 HD1 TRP 36 -1.169 -30.360 -11.191 269 HE1 TRP 36 HE1 TRP 36 -2.109 -31.671 -9.185 270 HE3 TRP 36 HE3 TRP 36 2.825 -29.970 -8.026 271 HZ2 TRP 36 HZ2 TRP 36 -1.267 -32.438 -6.602 272 HZ3 TRP 36 HZ3 TRP 36 2.678 -31.020 -5.805 273 HH2 TRP 36 HH2 TRP 36 0.674 -32.227 -5.110 Start of MODEL 6 1 H SER 1 H SER 1 -3.482 -2.060 -4.231 2 HA SER 1 HA SER 1 -1.986 -0.806 -2.146 3 HB2 SER 1 HB2 SER 1 -4.214 -1.397 -1.594 4 HB3 SER 1 HB3 SER 1 -4.011 -3.043 -2.193 5 HG SER 1 HG SER 1 -3.562 -3.493 -0.194 6 H GLU 2 H GLU 2 -2.164 -4.171 -3.312 7 HA GLU 2 HA GLU 2 0.246 -4.826 -1.812 8 HB2 GLU 2 HB2 GLU 2 -1.714 -6.485 -3.390 9 HB3 GLU 2 HB3 GLU 2 -0.217 -7.149 -2.751 10 HG2 GLU 2 HG2 GLU 2 -2.298 -5.806 -1.049 11 HG3 GLU 2 HG3 GLU 2 -2.248 -7.543 -1.351 12 H ASP 3 H ASP 3 2.012 -4.027 -2.814 13 HA ASP 3 HA ASP 3 2.298 -4.349 -5.703 14 HB2 ASP 3 HB2 ASP 3 4.156 -2.962 -3.761 15 HB3 ASP 3 HB3 ASP 3 4.202 -2.863 -5.519 16 H CYS 4 H CYS 4 2.743 -6.496 -6.016 17 HA CYS 4 HA CYS 4 5.234 -7.491 -4.793 18 HB2 CYS 4 HB2 CYS 4 4.336 -9.733 -4.851 19 HB3 CYS 4 HB3 CYS 4 3.195 -8.689 -4.009 20 H LEU 5 H LEU 5 6.413 -9.081 -6.118 21 HA LEU 5 HA LEU 5 6.692 -8.128 -8.804 22 HB2 LEU 5 HB2 LEU 5 8.043 -10.239 -7.164 23 HB3 LEU 5 HB3 LEU 5 8.354 -10.107 -8.893 24 HG LEU 5 HG LEU 5 8.716 -7.728 -7.113 25 HD11 LEU 5 HD11 LEU 5 11.181 -9.129 -7.610 26 HD12 LEU 5 HD12 LEU 5 10.062 -10.134 -6.691 27 HD13 LEU 5 HD13 LEU 5 10.510 -8.539 -6.089 28 HD21 LEU 5 HD21 LEU 5 8.863 -7.187 -9.389 29 HD22 LEU 5 HD22 LEU 5 9.770 -8.652 -9.770 30 HD23 LEU 5 HD23 LEU 5 10.537 -7.349 -8.859 31 H GLY 6 H GLY 6 6.981 -9.855 -10.599 32 HA2 GLY 6 HA2 GLY 6 4.471 -11.361 -10.686 33 HA3 GLY 6 HA3 GLY 6 5.478 -10.944 -12.065 34 H TRP 7 H TRP 7 4.598 -13.440 -12.036 35 HA TRP 7 HA TRP 7 6.304 -15.254 -10.632 36 HB2 TRP 7 HB2 TRP 7 5.236 -16.982 -12.063 37 HB3 TRP 7 HB3 TRP 7 4.065 -15.947 -11.252 38 HD1 TRP 7 HD1 TRP 7 5.586 -16.550 -14.739 39 HE1 TRP 7 HE1 TRP 7 3.941 -15.652 -16.503 40 HE3 TRP 7 HE3 TRP 7 2.164 -14.377 -11.625 41 HZ2 TRP 7 HZ2 TRP 7 1.513 -14.211 -16.565 42 HZ3 TRP 7 HZ3 TRP 7 0.209 -13.259 -12.616 43 HH2 TRP 7 HH2 TRP 7 -0.107 -13.179 -15.035 44 H ALA 8 H ALA 8 6.365 -13.691 -13.747 45 HA ALA 8 HA ALA 8 8.611 -15.335 -14.635 46 HB1 ALA 8 HB1 ALA 8 6.722 -14.787 -16.180 47 HB2 ALA 8 HB2 ALA 8 7.253 -13.106 -16.137 48 HB3 ALA 8 HB3 ALA 8 8.319 -14.351 -16.788 49 H SER 9 H SER 9 8.757 -13.338 -12.414 50 HA SER 9 HA SER 9 10.600 -11.362 -13.541 51 HB2 SER 9 HB2 SER 9 9.681 -11.511 -10.671 52 HB3 SER 9 HB3 SER 9 10.336 -10.121 -11.536 53 HG SER 9 HG SER 9 8.419 -10.236 -12.870 54 H ARG 10 H ARG 10 12.552 -10.865 -12.124 55 HA ARG 10 HA ARG 10 13.872 -13.408 -11.490 56 HB2 ARG 10 HB2 ARG 10 15.217 -10.736 -11.858 57 HB3 ARG 10 HB3 ARG 10 15.947 -12.334 -11.924 58 HG2 ARG 10 HG2 ARG 10 13.938 -11.292 -13.909 59 HG3 ARG 10 HG3 ARG 10 15.687 -11.268 -14.138 60 HD2 ARG 10 HD2 ARG 10 15.485 -13.825 -13.614 61 HD3 ARG 10 HD3 ARG 10 13.806 -13.584 -14.093 62 HE ARG 10 HE ARG 10 14.495 -13.431 -16.263 63 HH11 ARG 10 HH11 ARG 10 17.235 -12.922 -14.177 64 HH12 ARG 10 HH12 ARG 10 18.383 -12.897 -15.474 65 HH21 ARG 10 HH21 ARG 10 15.998 -13.400 -17.980 66 HH22 ARG 10 HH22 ARG 10 17.678 -13.169 -17.636 67 H CYS 11 H CYS 11 14.466 -13.900 -9.474 68 HA CYS 11 HA CYS 11 14.758 -11.779 -7.485 69 HB2 CYS 11 HB2 CYS 11 13.277 -12.790 -5.904 70 HB3 CYS 11 HB3 CYS 11 12.387 -12.631 -7.415 71 H SER 12 H SER 12 15.361 -12.966 -5.278 72 HA SER 12 HA SER 12 17.265 -15.124 -5.880 73 HB2 SER 12 HB2 SER 12 17.794 -12.461 -4.663 74 HB3 SER 12 HB3 SER 12 18.640 -13.844 -3.970 75 HG SER 12 HG SER 12 19.772 -12.809 -5.720 76 HA PRO 13 HA PRO 13 15.773 -17.180 -2.305 77 HB2 PRO 13 HB2 PRO 13 18.030 -18.290 -1.282 78 HB3 PRO 13 HB3 PRO 13 17.264 -18.866 -2.768 79 HG2 PRO 13 HG2 PRO 13 19.621 -17.052 -2.432 80 HG3 PRO 13 HG3 PRO 13 19.396 -18.396 -3.567 81 HD2 PRO 13 HD2 PRO 13 19.082 -15.807 -4.295 82 HD3 PRO 13 HD3 PRO 13 18.139 -17.123 -5.020 83 H LYS 14 H LYS 14 18.158 -14.717 -1.969 84 HA LYS 14 HA LYS 14 17.912 -14.660 0.941 85 HB2 LYS 14 HB2 LYS 14 19.678 -12.981 0.878 86 HB3 LYS 14 HB3 LYS 14 20.151 -14.405 -0.039 87 HG2 LYS 14 HG2 LYS 14 19.235 -13.082 -2.075 88 HG3 LYS 14 HG3 LYS 14 19.425 -11.681 -1.018 89 HD2 LYS 14 HD2 LYS 14 21.802 -12.447 -0.635 90 HD3 LYS 14 HD3 LYS 14 21.549 -13.605 -1.943 91 HE2 LYS 14 HE2 LYS 14 20.851 -11.613 -3.361 92 HE3 LYS 14 HE3 LYS 14 21.507 -10.601 -2.076 93 HZ1 LYS 14 HZ1 LYS 14 23.655 -11.588 -2.388 94 HZ2 LYS 14 HZ2 LYS 14 23.097 -11.028 -3.884 95 HZ3 LYS 14 HZ3 LYS 14 23.049 -12.681 -3.529 96 H ASN 15 H ASN 15 16.967 -12.879 -1.916 97 HA ASN 15 HA ASN 15 15.277 -11.174 -0.223 98 HB2 ASN 15 HB2 ASN 15 15.742 -9.261 -1.752 99 HB3 ASN 15 HB3 ASN 15 17.157 -9.784 -0.844 100 HD21 ASN 15 HD21 ASN 15 15.965 -9.017 -3.853 101 HD22 ASN 15 HD22 ASN 15 17.236 -9.675 -4.821 102 H ASP 16 H ASP 16 13.836 -13.010 -0.960 103 HA ASP 16 HA ASP 16 12.882 -12.702 -3.707 104 HB2 ASP 16 HB2 ASP 16 13.122 -14.976 -3.190 105 HB3 ASP 16 HB3 ASP 16 12.457 -14.773 -1.572 106 H LYS 17 H LYS 17 11.409 -11.176 -4.029 107 HA LYS 17 HA LYS 17 9.296 -10.824 -2.003 108 HB2 LYS 17 HB2 LYS 17 10.581 -8.752 -3.788 109 HB3 LYS 17 HB3 LYS 17 9.141 -8.459 -2.823 110 HG2 LYS 17 HG2 LYS 17 10.715 -7.642 -1.407 111 HG3 LYS 17 HG3 LYS 17 10.702 -9.325 -0.876 112 HD2 LYS 17 HD2 LYS 17 12.748 -9.767 -1.778 113 HD3 LYS 17 HD3 LYS 17 12.541 -8.606 -3.091 114 HE2 LYS 17 HE2 LYS 17 12.737 -7.542 -0.328 115 HE3 LYS 17 HE3 LYS 17 14.206 -8.182 -1.061 116 HZ1 LYS 17 HZ1 LYS 17 13.089 -5.683 -1.448 117 HZ2 LYS 17 HZ2 LYS 17 12.843 -6.519 -2.897 118 HZ3 LYS 17 HZ3 LYS 17 14.406 -6.354 -2.271 119 H CYS 18 H CYS 18 8.621 -12.710 -3.605 120 HA CYS 18 HA CYS 18 7.078 -11.509 -5.808 121 HB2 CYS 18 HB2 CYS 18 8.488 -14.105 -5.504 122 HB3 CYS 18 HB3 CYS 18 6.967 -14.127 -6.390 123 H CYS 19 H CYS 19 4.937 -12.333 -6.195 124 HA CYS 19 HA CYS 19 3.285 -12.361 -3.985 125 HB2 CYS 19 HB2 CYS 19 2.972 -13.151 -6.836 126 HB3 CYS 19 HB3 CYS 19 1.728 -13.690 -5.713 127 HA PRO 20 HA PRO 20 3.347 -16.373 -2.215 128 HB2 PRO 20 HB2 PRO 20 0.731 -16.800 -1.631 129 HB3 PRO 20 HB3 PRO 20 1.737 -15.648 -0.745 130 HG2 PRO 20 HG2 PRO 20 -0.230 -15.144 -2.945 131 HG3 PRO 20 HG3 PRO 20 0.025 -14.237 -1.442 132 HD2 PRO 20 HD2 PRO 20 1.013 -13.414 -3.825 133 HD3 PRO 20 HD3 PRO 20 1.843 -13.101 -2.288 134 H ASN 21 H ASN 21 2.098 -18.563 -2.282 135 HA ASN 21 HA ASN 21 1.515 -20.418 -3.462 136 HB2 ASN 21 HB2 ASN 21 -0.430 -18.835 -4.056 137 HB3 ASN 21 HB3 ASN 21 0.384 -18.631 -5.605 138 HD21 ASN 21 HD21 ASN 21 -1.136 -20.945 -3.458 139 HD22 ASN 21 HD22 ASN 21 -1.503 -22.117 -4.674 140 H TYR 22 H TYR 22 4.053 -18.955 -3.967 141 HA TYR 22 HA TYR 22 4.712 -20.271 -6.508 142 HB2 TYR 22 HB2 TYR 22 5.439 -17.456 -5.696 143 HB3 TYR 22 HB3 TYR 22 6.274 -18.327 -6.977 144 HD1 TYR 22 HD1 TYR 22 4.029 -19.711 -8.301 145 HD2 TYR 22 HD2 TYR 22 4.303 -15.742 -6.793 146 HE1 TYR 22 HE1 TYR 22 2.318 -18.987 -9.912 147 HE2 TYR 22 HE2 TYR 22 2.591 -15.007 -8.399 148 HH TYR 22 HH TYR 22 0.553 -16.442 -9.700 149 H LYS 23 H LYS 23 7.263 -20.143 -6.747 150 HA LYS 23 HA LYS 23 8.591 -20.516 -4.177 151 HB2 LYS 23 HB2 LYS 23 7.577 -22.722 -5.233 152 HB3 LYS 23 HB3 LYS 23 9.024 -22.641 -6.229 153 HG2 LYS 23 HG2 LYS 23 9.654 -23.999 -4.459 154 HG3 LYS 23 HG3 LYS 23 10.296 -22.417 -4.010 155 HD2 LYS 23 HD2 LYS 23 8.114 -22.093 -2.721 156 HD3 LYS 23 HD3 LYS 23 7.865 -23.826 -2.940 157 HE2 LYS 23 HE2 LYS 23 10.317 -22.603 -1.683 158 HE3 LYS 23 HE3 LYS 23 8.934 -23.209 -0.774 159 HZ1 LYS 23 HZ1 LYS 23 11.101 -24.664 -1.517 160 HZ2 LYS 23 HZ2 LYS 23 9.948 -25.105 -2.672 161 HZ3 LYS 23 HZ3 LYS 23 9.613 -25.301 -1.026 162 H CYS 24 H CYS 24 10.194 -19.085 -4.363 163 HA CYS 24 HA CYS 24 11.337 -18.170 -6.736 164 HB2 CYS 24 HB2 CYS 24 11.468 -17.234 -4.303 165 HB3 CYS 24 HB3 CYS 24 12.905 -18.245 -4.178 166 H SER 25 H SER 25 12.137 -19.611 -8.165 167 HA SER 25 HA SER 25 13.667 -21.897 -7.388 168 HB2 SER 25 HB2 SER 25 12.333 -21.992 -9.410 169 HB3 SER 25 HB3 SER 25 13.210 -20.623 -10.095 170 HG SER 25 HG SER 25 14.083 -22.486 -10.942 171 H SER 26 H SER 26 15.670 -21.757 -6.640 172 HA SER 26 HA SER 26 17.350 -19.502 -7.063 173 HB2 SER 26 HB2 SER 26 18.474 -22.117 -6.151 174 HB3 SER 26 HB3 SER 26 18.803 -20.488 -5.561 175 HG SER 26 HG SER 26 17.109 -20.594 -4.270 176 H LYS 27 H LYS 27 16.716 -22.299 -8.884 177 HA LYS 27 HA LYS 27 19.211 -22.710 -10.128 178 HB2 LYS 27 HB2 LYS 27 16.402 -23.483 -10.657 179 HB3 LYS 27 HB3 LYS 27 17.485 -23.513 -12.042 180 HG2 LYS 27 HG2 LYS 27 17.629 -25.667 -11.226 181 HG3 LYS 27 HG3 LYS 27 19.040 -24.887 -10.509 182 HD2 LYS 27 HD2 LYS 27 16.500 -24.817 -8.973 183 HD3 LYS 27 HD3 LYS 27 17.349 -26.362 -9.078 184 HE2 LYS 27 HE2 LYS 27 19.420 -24.807 -8.465 185 HE3 LYS 27 HE3 LYS 27 18.142 -23.835 -7.740 186 HZ1 LYS 27 HZ1 LYS 27 18.292 -26.722 -7.184 187 HZ2 LYS 27 HZ2 LYS 27 17.610 -25.490 -6.247 188 HZ3 LYS 27 HZ3 LYS 27 19.292 -25.649 -6.342 189 H ASP 28 H ASP 28 16.320 -21.045 -11.398 190 HA ASP 28 HA ASP 28 18.072 -19.581 -13.247 191 HB2 ASP 28 HB2 ASP 28 15.432 -20.745 -13.488 192 HB3 ASP 28 HB3 ASP 28 15.406 -19.036 -13.913 193 H LEU 29 H LEU 29 17.121 -19.122 -10.278 194 HA LEU 29 HA LEU 29 16.610 -17.356 -8.932 195 HB2 LEU 29 HB2 LEU 29 17.836 -15.807 -11.210 196 HB3 LEU 29 HB3 LEU 29 17.603 -15.216 -9.566 197 HG LEU 29 HG LEU 29 19.358 -17.572 -10.229 198 HD11 LEU 29 HD11 LEU 29 21.252 -16.023 -10.037 199 HD12 LEU 29 HD12 LEU 29 20.125 -14.670 -9.946 200 HD13 LEU 29 HD13 LEU 29 20.220 -15.642 -11.415 201 HD21 LEU 29 HD21 LEU 29 18.411 -16.417 -7.813 202 HD22 LEU 29 HD22 LEU 29 20.144 -16.109 -7.930 203 HD23 LEU 29 HD23 LEU 29 19.533 -17.761 -8.027 204 H TRP 30 H TRP 30 14.462 -18.217 -10.491 205 HA TRP 30 HA TRP 30 12.987 -15.694 -10.789 206 HB2 TRP 30 HB2 TRP 30 11.954 -16.373 -12.807 207 HB3 TRP 30 HB3 TRP 30 13.668 -16.722 -13.022 208 HD1 TRP 30 HD1 TRP 30 14.082 -19.504 -11.902 209 HE1 TRP 30 HE1 TRP 30 12.864 -21.572 -12.833 210 HE3 TRP 30 HE3 TRP 30 10.110 -17.176 -14.126 211 HZ2 TRP 30 HZ2 TRP 30 10.530 -22.142 -14.314 212 HZ3 TRP 30 HZ3 TRP 30 8.429 -18.555 -15.279 213 HH2 TRP 30 HH2 TRP 30 8.638 -20.986 -15.371 214 H CYS 31 H CYS 31 10.764 -15.799 -10.310 215 HA CYS 31 HA CYS 31 10.081 -17.642 -8.262 216 HB2 CYS 31 HB2 CYS 31 8.170 -15.849 -9.763 217 HB3 CYS 31 HB3 CYS 31 7.992 -16.481 -8.130 218 H LYS 32 H LYS 32 9.669 -19.713 -8.655 219 HA LYS 32 HA LYS 32 8.425 -20.526 -11.157 220 HB2 LYS 32 HB2 LYS 32 9.965 -21.861 -9.009 221 HB3 LYS 32 HB3 LYS 32 8.738 -22.841 -9.801 222 HG2 LYS 32 HG2 LYS 32 9.792 -22.149 -11.994 223 HG3 LYS 32 HG3 LYS 32 11.128 -21.509 -11.036 224 HD2 LYS 32 HD2 LYS 32 11.895 -23.628 -11.489 225 HD3 LYS 32 HD3 LYS 32 11.080 -23.894 -9.946 226 HE2 LYS 32 HE2 LYS 32 10.244 -25.632 -11.198 227 HE3 LYS 32 HE3 LYS 32 9.012 -24.400 -11.461 228 HZ1 LYS 32 HZ1 LYS 32 11.163 -24.279 -13.359 229 HZ2 LYS 32 HZ2 LYS 32 9.493 -24.291 -13.620 230 HZ3 LYS 32 HZ3 LYS 32 10.326 -25.748 -13.407 231 H TYR 33 H TYR 33 6.747 -22.340 -10.956 232 HA TYR 33 HA TYR 33 4.556 -21.304 -9.394 233 HB2 TYR 33 HB2 TYR 33 3.183 -22.878 -10.592 234 HB3 TYR 33 HB3 TYR 33 4.288 -22.129 -11.738 235 HD1 TYR 33 HD1 TYR 33 3.284 -25.225 -10.122 236 HD2 TYR 33 HD2 TYR 33 6.190 -23.414 -12.648 237 HE1 TYR 33 HE1 TYR 33 4.042 -27.453 -10.839 238 HE2 TYR 33 HE2 TYR 33 6.954 -25.637 -13.372 239 HH TYR 33 HH TYR 33 5.379 -28.593 -12.197 240 H LYS 34 H LYS 34 3.716 -22.121 -7.568 241 HA LYS 34 HA LYS 34 5.184 -24.221 -6.216 242 HB2 LYS 34 HB2 LYS 34 4.130 -21.969 -5.266 243 HB3 LYS 34 HB3 LYS 34 2.731 -23.010 -5.034 244 HG2 LYS 34 HG2 LYS 34 4.552 -24.585 -3.931 245 HG3 LYS 34 HG3 LYS 34 5.368 -23.040 -3.684 246 HD2 LYS 34 HD2 LYS 34 3.491 -22.171 -2.471 247 HD3 LYS 34 HD3 LYS 34 2.517 -23.589 -2.870 248 HE2 LYS 34 HE2 LYS 34 3.239 -23.916 -0.651 249 HE3 LYS 34 HE3 LYS 34 4.262 -24.957 -1.641 250 HZ1 LYS 34 HZ1 LYS 34 6.059 -23.894 -0.941 251 HZ2 LYS 34 HZ2 LYS 34 5.094 -23.054 0.165 252 HZ3 LYS 34 HZ3 LYS 34 5.420 -22.383 -1.353 253 H ILE 35 H ILE 35 2.190 -23.827 -7.909 254 HA ILE 35 HA ILE 35 0.613 -25.839 -6.874 255 HB ILE 35 HB ILE 35 0.898 -25.114 -9.792 256 HG12 ILE 35 HG12 ILE 35 -1.004 -24.047 -7.693 257 HG13 ILE 35 HG13 ILE 35 0.395 -23.185 -8.324 258 HG21 ILE 35 HG21 ILE 35 -1.293 -26.537 -8.289 259 HG22 ILE 35 HG22 ILE 35 -1.446 -25.934 -9.938 260 HG23 ILE 35 HG23 ILE 35 -0.271 -27.196 -9.568 261 HD11 ILE 35 HD11 ILE 35 -0.989 -22.303 -9.812 262 HD12 ILE 35 HD12 ILE 35 -1.022 -23.888 -10.585 263 HD13 ILE 35 HD13 ILE 35 -2.267 -23.451 -9.415 264 H TRP 36 H TRP 36 0.378 -28.029 -7.231 265 HA TRP 36 HA TRP 36 2.611 -29.349 -8.632 266 HB2 TRP 36 HB2 TRP 36 1.330 -29.969 -5.990 267 HB3 TRP 36 HB3 TRP 36 2.086 -31.254 -6.927 268 HD1 TRP 36 HD1 TRP 36 4.648 -29.718 -7.965 269 HE1 TRP 36 HE1 TRP 36 6.512 -29.074 -6.310 270 HE3 TRP 36 HE3 TRP 36 1.957 -29.851 -3.621 271 HZ2 TRP 36 HZ2 TRP 36 6.802 -28.678 -3.531 272 HZ3 TRP 36 HZ3 TRP 36 3.103 -29.328 -1.507 273 HH2 TRP 36 HH2 TRP 36 5.475 -28.753 -1.465 Start of MODEL 7 1 H SER 1 H SER 1 -0.669 0.020 0.927 2 HA SER 1 HA SER 1 -0.410 -2.487 -0.004 3 HB2 SER 1 HB2 SER 1 -1.495 -1.794 -2.071 4 HB3 SER 1 HB3 SER 1 -2.176 -0.891 -0.718 5 HG SER 1 HG SER 1 -1.400 0.215 -2.814 6 H GLU 2 H GLU 2 1.113 -3.657 -0.953 7 HA GLU 2 HA GLU 2 3.193 -2.259 -2.505 8 HB2 GLU 2 HB2 GLU 2 3.522 -4.841 -0.971 9 HB3 GLU 2 HB3 GLU 2 4.784 -3.931 -1.789 10 HG2 GLU 2 HG2 GLU 2 4.607 -2.141 -0.215 11 HG3 GLU 2 HG3 GLU 2 3.190 -2.878 0.534 12 H ASP 3 H ASP 3 3.481 -2.866 -4.555 13 HA ASP 3 HA ASP 3 1.766 -4.909 -5.664 14 HB2 ASP 3 HB2 ASP 3 3.810 -3.107 -6.978 15 HB3 ASP 3 HB3 ASP 3 2.703 -4.174 -7.838 16 H CYS 4 H CYS 4 2.508 -6.882 -4.951 17 HA CYS 4 HA CYS 4 5.150 -7.730 -4.795 18 HB2 CYS 4 HB2 CYS 4 4.212 -10.040 -4.933 19 HB3 CYS 4 HB3 CYS 4 3.387 -9.012 -3.765 20 H LEU 5 H LEU 5 6.395 -9.116 -6.158 21 HA LEU 5 HA LEU 5 6.441 -8.299 -8.866 22 HB2 LEU 5 HB2 LEU 5 7.922 -10.297 -7.226 23 HB3 LEU 5 HB3 LEU 5 8.061 -10.368 -8.982 24 HG LEU 5 HG LEU 5 8.632 -7.833 -7.481 25 HD11 LEU 5 HD11 LEU 5 10.652 -8.502 -6.790 26 HD12 LEU 5 HD12 LEU 5 10.942 -9.457 -8.244 27 HD13 LEU 5 HD13 LEU 5 9.987 -10.130 -6.923 28 HD21 LEU 5 HD21 LEU 5 9.164 -8.934 -10.204 29 HD22 LEU 5 HD22 LEU 5 10.250 -7.724 -9.522 30 HD23 LEU 5 HD23 LEU 5 8.538 -7.354 -9.732 31 H GLY 6 H GLY 6 6.743 -10.187 -10.589 32 HA2 GLY 6 HA2 GLY 6 4.207 -11.675 -10.517 33 HA3 GLY 6 HA3 GLY 6 5.094 -11.238 -11.970 34 H TRP 7 H TRP 7 4.438 -13.673 -12.159 35 HA TRP 7 HA TRP 7 6.146 -15.520 -10.769 36 HB2 TRP 7 HB2 TRP 7 5.070 -17.230 -12.054 37 HB3 TRP 7 HB3 TRP 7 3.832 -16.061 -11.602 38 HD1 TRP 7 HD1 TRP 7 3.292 -14.172 -13.656 39 HE1 TRP 7 HE1 TRP 7 3.028 -14.644 -16.173 40 HE3 TRP 7 HE3 TRP 7 5.708 -18.671 -13.894 41 HZ2 TRP 7 HZ2 TRP 7 3.748 -16.658 -18.014 42 HZ3 TRP 7 HZ3 TRP 7 5.875 -19.805 -16.071 43 HH2 TRP 7 HH2 TRP 7 4.915 -18.819 -18.087 44 H ALA 8 H ALA 8 6.156 -13.878 -13.861 45 HA ALA 8 HA ALA 8 8.511 -15.375 -14.735 46 HB1 ALA 8 HB1 ALA 8 6.992 -15.166 -16.492 47 HB2 ALA 8 HB2 ALA 8 6.637 -13.481 -16.110 48 HB3 ALA 8 HB3 ALA 8 8.191 -13.915 -16.822 49 H SER 9 H SER 9 8.715 -13.582 -12.477 50 HA SER 9 HA SER 9 10.406 -11.443 -13.585 51 HB2 SER 9 HB2 SER 9 9.096 -11.683 -10.866 52 HB3 SER 9 HB3 SER 9 10.165 -10.368 -11.351 53 HG SER 9 HG SER 9 7.832 -11.037 -12.804 54 H ARG 10 H ARG 10 12.288 -10.851 -12.112 55 HA ARG 10 HA ARG 10 13.717 -13.323 -11.462 56 HB2 ARG 10 HB2 ARG 10 14.712 -10.504 -11.913 57 HB3 ARG 10 HB3 ARG 10 15.742 -11.867 -11.496 58 HG2 ARG 10 HG2 ARG 10 14.061 -11.623 -13.982 59 HG3 ARG 10 HG3 ARG 10 15.809 -11.400 -13.881 60 HD2 ARG 10 HD2 ARG 10 15.730 -13.808 -12.838 61 HD3 ARG 10 HD3 ARG 10 14.193 -13.899 -13.696 62 HE ARG 10 HE ARG 10 16.799 -14.024 -14.839 63 HH11 ARG 10 HH11 ARG 10 13.538 -12.959 -15.428 64 HH12 ARG 10 HH12 ARG 10 13.669 -13.083 -17.152 65 HH21 ARG 10 HH21 ARG 10 16.986 -14.192 -17.106 66 HH22 ARG 10 HH22 ARG 10 15.631 -13.786 -18.105 67 H CYS 11 H CYS 11 14.591 -13.733 -9.473 68 HA CYS 11 HA CYS 11 14.553 -11.739 -7.384 69 HB2 CYS 11 HB2 CYS 11 13.048 -12.858 -5.900 70 HB3 CYS 11 HB3 CYS 11 12.214 -12.674 -7.440 71 H SER 12 H SER 12 15.236 -12.835 -5.231 72 HA SER 12 HA SER 12 17.183 -14.968 -5.809 73 HB2 SER 12 HB2 SER 12 17.594 -12.318 -4.504 74 HB3 SER 12 HB3 SER 12 18.499 -13.695 -3.874 75 HG SER 12 HG SER 12 19.800 -13.131 -5.456 76 HA PRO 13 HA PRO 13 15.681 -17.125 -2.297 77 HB2 PRO 13 HB2 PRO 13 17.949 -18.177 -1.240 78 HB3 PRO 13 HB3 PRO 13 17.236 -18.754 -2.751 79 HG2 PRO 13 HG2 PRO 13 19.524 -16.869 -2.335 80 HG3 PRO 13 HG3 PRO 13 19.369 -18.203 -3.494 81 HD2 PRO 13 HD2 PRO 13 18.987 -15.615 -4.192 82 HD3 PRO 13 HD3 PRO 13 18.103 -16.950 -4.957 83 H LYS 14 H LYS 14 18.049 -14.640 -1.851 84 HA LYS 14 HA LYS 14 17.754 -14.629 1.044 85 HB2 LYS 14 HB2 LYS 14 19.432 -12.888 1.037 86 HB3 LYS 14 HB3 LYS 14 19.965 -14.206 0.002 87 HG2 LYS 14 HG2 LYS 14 18.849 -12.750 -1.878 88 HG3 LYS 14 HG3 LYS 14 19.118 -11.447 -0.717 89 HD2 LYS 14 HD2 LYS 14 21.075 -11.409 -1.951 90 HD3 LYS 14 HD3 LYS 14 21.525 -12.426 -0.580 91 HE2 LYS 14 HE2 LYS 14 20.823 -14.397 -2.052 92 HE3 LYS 14 HE3 LYS 14 20.854 -13.250 -3.389 93 HZ1 LYS 14 HZ1 LYS 14 23.197 -13.403 -1.637 94 HZ2 LYS 14 HZ2 LYS 14 23.108 -13.047 -3.288 95 HZ3 LYS 14 HZ3 LYS 14 22.958 -14.648 -2.758 96 H ASN 15 H ASN 15 16.745 -12.783 -1.765 97 HA ASN 15 HA ASN 15 14.957 -11.233 -0.018 98 HB2 ASN 15 HB2 ASN 15 17.024 -9.981 -0.995 99 HB3 ASN 15 HB3 ASN 15 16.119 -10.019 -2.506 100 HD21 ASN 15 HD21 ASN 15 15.272 -9.471 0.898 101 HD22 ASN 15 HD22 ASN 15 14.446 -7.977 0.627 102 H ASP 16 H ASP 16 13.583 -13.117 -0.720 103 HA ASP 16 HA ASP 16 12.594 -12.929 -3.457 104 HB2 ASP 16 HB2 ASP 16 12.928 -15.169 -2.706 105 HB3 ASP 16 HB3 ASP 16 12.057 -14.865 -1.205 106 H LYS 17 H LYS 17 11.193 -11.322 -3.787 107 HA LYS 17 HA LYS 17 9.006 -10.975 -1.841 108 HB2 LYS 17 HB2 LYS 17 8.906 -8.600 -2.607 109 HB3 LYS 17 HB3 LYS 17 10.395 -9.017 -1.769 110 HG2 LYS 17 HG2 LYS 17 10.358 -9.229 -4.729 111 HG3 LYS 17 HG3 LYS 17 10.397 -7.620 -4.005 112 HD2 LYS 17 HD2 LYS 17 12.319 -8.688 -2.553 113 HD3 LYS 17 HD3 LYS 17 12.431 -9.797 -3.921 114 HE2 LYS 17 HE2 LYS 17 12.386 -6.831 -4.342 115 HE3 LYS 17 HE3 LYS 17 13.883 -7.659 -3.917 116 HZ1 LYS 17 HZ1 LYS 17 12.741 -9.128 -5.960 117 HZ2 LYS 17 HZ2 LYS 17 14.112 -8.140 -6.052 118 HZ3 LYS 17 HZ3 LYS 17 12.588 -7.508 -6.428 119 H CYS 18 H CYS 18 8.391 -12.837 -3.505 120 HA CYS 18 HA CYS 18 6.936 -11.588 -5.740 121 HB2 CYS 18 HB2 CYS 18 8.278 -14.229 -5.419 122 HB3 CYS 18 HB3 CYS 18 6.834 -14.158 -6.424 123 H CYS 19 H CYS 19 4.807 -12.398 -6.224 124 HA CYS 19 HA CYS 19 3.073 -12.460 -4.079 125 HB2 CYS 19 HB2 CYS 19 2.873 -13.167 -6.954 126 HB3 CYS 19 HB3 CYS 19 1.596 -13.773 -5.906 127 HA PRO 20 HA PRO 20 3.057 -16.504 -2.380 128 HB2 PRO 20 HB2 PRO 20 0.419 -16.934 -1.907 129 HB3 PRO 20 HB3 PRO 20 1.393 -15.801 -0.961 130 HG2 PRO 20 HG2 PRO 20 -0.486 -15.251 -3.226 131 HG3 PRO 20 HG3 PRO 20 -0.288 -14.373 -1.698 132 HD2 PRO 20 HD2 PRO 20 0.794 -13.510 -4.026 133 HD3 PRO 20 HD3 PRO 20 1.565 -13.227 -2.452 134 H ASN 21 H ASN 21 1.805 -18.689 -2.535 135 HA ASN 21 HA ASN 21 1.263 -20.519 -3.771 136 HB2 ASN 21 HB2 ASN 21 0.213 -18.656 -5.897 137 HB3 ASN 21 HB3 ASN 21 -0.317 -20.294 -5.527 138 HD21 ASN 21 HD21 ASN 21 -1.346 -17.298 -5.425 139 HD22 ASN 21 HD22 ASN 21 -2.313 -17.315 -3.993 140 H TYR 22 H TYR 22 3.820 -19.048 -4.154 141 HA TYR 22 HA TYR 22 4.584 -20.340 -6.676 142 HB2 TYR 22 HB2 TYR 22 5.224 -17.513 -5.839 143 HB3 TYR 22 HB3 TYR 22 6.153 -18.371 -7.063 144 HD1 TYR 22 HD1 TYR 22 4.232 -19.731 -8.680 145 HD2 TYR 22 HD2 TYR 22 3.906 -15.909 -6.840 146 HE1 TYR 22 HE1 TYR 22 2.604 -19.051 -10.394 147 HE2 TYR 22 HE2 TYR 22 2.275 -15.219 -8.547 148 HH TYR 22 HH TYR 22 0.613 -17.201 -10.407 149 H LYS 23 H LYS 23 7.164 -20.107 -6.807 150 HA LYS 23 HA LYS 23 8.414 -20.455 -4.208 151 HB2 LYS 23 HB2 LYS 23 7.410 -22.696 -5.202 152 HB3 LYS 23 HB3 LYS 23 8.883 -22.661 -6.163 153 HG2 LYS 23 HG2 LYS 23 8.798 -22.545 -3.156 154 HG3 LYS 23 HG3 LYS 23 9.083 -24.006 -4.104 155 HD2 LYS 23 HD2 LYS 23 11.076 -22.967 -5.090 156 HD3 LYS 23 HD3 LYS 23 10.792 -21.517 -4.123 157 HE2 LYS 23 HE2 LYS 23 11.275 -24.275 -3.003 158 HE3 LYS 23 HE3 LYS 23 12.505 -23.022 -3.158 159 HZ1 LYS 23 HZ1 LYS 23 10.032 -22.832 -1.524 160 HZ2 LYS 23 HZ2 LYS 23 11.196 -21.616 -1.682 161 HZ3 LYS 23 HZ3 LYS 23 11.596 -23.076 -0.928 162 H CYS 24 H CYS 24 10.027 -19.040 -4.417 163 HA CYS 24 HA CYS 24 11.217 -18.187 -6.777 164 HB2 CYS 24 HB2 CYS 24 11.365 -17.257 -4.336 165 HB3 CYS 24 HB3 CYS 24 12.790 -18.284 -4.226 166 H SER 25 H SER 25 12.412 -19.247 -8.199 167 HA SER 25 HA SER 25 13.766 -21.704 -7.416 168 HB2 SER 25 HB2 SER 25 12.450 -21.799 -9.449 169 HB3 SER 25 HB3 SER 25 13.324 -20.425 -10.124 170 HG SER 25 HG SER 25 13.984 -23.049 -10.127 171 H SER 26 H SER 26 15.757 -21.543 -6.636 172 HA SER 26 HA SER 26 17.432 -19.285 -7.054 173 HB2 SER 26 HB2 SER 26 18.349 -21.976 -6.042 174 HB3 SER 26 HB3 SER 26 19.014 -20.387 -5.665 175 HG SER 26 HG SER 26 17.685 -21.214 -3.982 176 H LYS 27 H LYS 27 16.807 -22.059 -8.893 177 HA LYS 27 HA LYS 27 19.326 -22.484 -10.098 178 HB2 LYS 27 HB2 LYS 27 16.505 -23.194 -10.769 179 HB3 LYS 27 HB3 LYS 27 17.733 -23.373 -12.015 180 HG2 LYS 27 HG2 LYS 27 17.866 -25.443 -11.123 181 HG3 LYS 27 HG3 LYS 27 18.988 -24.628 -10.031 182 HD2 LYS 27 HD2 LYS 27 17.711 -25.326 -8.344 183 HD3 LYS 27 HD3 LYS 27 16.468 -24.210 -8.915 184 HE2 LYS 27 HE2 LYS 27 15.322 -26.213 -8.855 185 HE3 LYS 27 HE3 LYS 27 15.851 -26.147 -10.536 186 HZ1 LYS 27 HZ1 LYS 27 17.204 -27.646 -8.357 187 HZ2 LYS 27 HZ2 LYS 27 17.708 -27.585 -9.971 188 HZ3 LYS 27 HZ3 LYS 27 16.241 -28.326 -9.572 189 H ASP 28 H ASP 28 16.447 -20.827 -11.403 190 HA ASP 28 HA ASP 28 18.224 -19.351 -13.222 191 HB2 ASP 28 HB2 ASP 28 15.577 -20.524 -13.509 192 HB3 ASP 28 HB3 ASP 28 15.603 -18.833 -14.002 193 H LEU 29 H LEU 29 17.223 -18.891 -10.283 194 HA LEU 29 HA LEU 29 16.651 -17.130 -8.954 195 HB2 LEU 29 HB2 LEU 29 17.921 -15.631 -11.240 196 HB3 LEU 29 HB3 LEU 29 17.558 -14.938 -9.661 197 HG LEU 29 HG LEU 29 19.479 -17.216 -10.130 198 HD11 LEU 29 HD11 LEU 29 20.680 -15.518 -11.048 199 HD12 LEU 29 HD12 LEU 29 21.062 -15.238 -9.349 200 HD13 LEU 29 HD13 LEU 29 19.821 -14.269 -10.145 201 HD21 LEU 29 HD21 LEU 29 20.053 -15.948 -7.739 202 HD22 LEU 29 HD22 LEU 29 19.245 -17.503 -7.934 203 HD23 LEU 29 HD23 LEU 29 18.291 -16.029 -7.768 204 H TRP 30 H TRP 30 14.544 -18.054 -10.536 205 HA TRP 30 HA TRP 30 13.009 -15.571 -10.863 206 HB2 TRP 30 HB2 TRP 30 12.018 -16.286 -12.891 207 HB3 TRP 30 HB3 TRP 30 13.743 -16.586 -13.084 208 HD1 TRP 30 HD1 TRP 30 14.226 -19.351 -11.955 209 HE1 TRP 30 HE1 TRP 30 13.079 -21.457 -12.891 210 HE3 TRP 30 HE3 TRP 30 10.209 -17.147 -14.220 211 HZ2 TRP 30 HZ2 TRP 30 10.775 -22.097 -14.392 212 HZ3 TRP 30 HZ3 TRP 30 8.580 -18.576 -15.386 213 HH2 TRP 30 HH2 TRP 30 8.859 -21.000 -15.468 214 H CYS 31 H CYS 31 10.791 -15.725 -10.397 215 HA CYS 31 HA CYS 31 10.124 -17.554 -8.344 216 HB2 CYS 31 HB2 CYS 31 8.190 -15.863 -9.935 217 HB3 CYS 31 HB3 CYS 31 7.978 -16.481 -8.299 218 H LYS 32 H LYS 32 9.763 -19.644 -8.667 219 HA LYS 32 HA LYS 32 8.575 -20.551 -11.175 220 HB2 LYS 32 HB2 LYS 32 10.273 -21.750 -9.086 221 HB3 LYS 32 HB3 LYS 32 9.047 -22.824 -9.746 222 HG2 LYS 32 HG2 LYS 32 9.946 -22.038 -12.043 223 HG3 LYS 32 HG3 LYS 32 11.360 -21.526 -11.119 224 HD2 LYS 32 HD2 LYS 32 12.023 -23.648 -11.594 225 HD3 LYS 32 HD3 LYS 32 11.096 -23.991 -10.132 226 HE2 LYS 32 HE2 LYS 32 9.108 -24.224 -11.826 227 HE3 LYS 32 HE3 LYS 32 10.403 -24.495 -12.990 228 HZ1 LYS 32 HZ1 LYS 32 9.375 -26.246 -10.982 229 HZ2 LYS 32 HZ2 LYS 32 11.055 -26.081 -10.864 230 HZ3 LYS 32 HZ3 LYS 32 10.354 -26.598 -12.316 231 H TYR 33 H TYR 33 7.095 -22.589 -10.811 232 HA TYR 33 HA TYR 33 4.813 -21.624 -9.327 233 HB2 TYR 33 HB2 TYR 33 4.916 -22.862 -11.660 234 HB3 TYR 33 HB3 TYR 33 4.841 -24.302 -10.651 235 HD1 TYR 33 HD1 TYR 33 3.137 -20.970 -10.570 236 HD2 TYR 33 HD2 TYR 33 2.725 -25.204 -10.626 237 HE1 TYR 33 HE1 TYR 33 0.695 -20.728 -10.415 238 HE2 TYR 33 HE2 TYR 33 0.280 -24.974 -10.473 239 HH TYR 33 HH TYR 33 -1.250 -22.202 -9.562 240 H LYS 34 H LYS 34 3.757 -22.702 -7.649 241 HA LYS 34 HA LYS 34 5.495 -24.130 -5.863 242 HB2 LYS 34 HB2 LYS 34 3.053 -22.654 -5.670 243 HB3 LYS 34 HB3 LYS 34 2.807 -24.239 -4.950 244 HG2 LYS 34 HG2 LYS 34 5.201 -22.598 -4.231 245 HG3 LYS 34 HG3 LYS 34 3.637 -22.305 -3.467 246 HD2 LYS 34 HD2 LYS 34 3.577 -24.722 -2.840 247 HD3 LYS 34 HD3 LYS 34 5.226 -24.869 -3.453 248 HE2 LYS 34 HE2 LYS 34 6.074 -23.414 -1.799 249 HE3 LYS 34 HE3 LYS 34 4.462 -22.856 -1.354 250 HZ1 LYS 34 HZ1 LYS 34 3.973 -24.947 -0.373 251 HZ2 LYS 34 HZ2 LYS 34 5.477 -24.459 0.229 252 HZ3 LYS 34 HZ3 LYS 34 5.392 -25.647 -0.974 253 H ILE 35 H ILE 35 3.048 -24.958 -8.167 254 HA ILE 35 HA ILE 35 2.890 -27.702 -7.154 255 HB ILE 35 HB ILE 35 1.331 -26.448 -9.416 256 HG12 ILE 35 HG12 ILE 35 0.473 -26.943 -6.556 257 HG13 ILE 35 HG13 ILE 35 0.896 -25.368 -7.220 258 HG21 ILE 35 HG21 ILE 35 1.558 -28.916 -9.467 259 HG22 ILE 35 HG22 ILE 35 0.807 -28.984 -7.873 260 HG23 ILE 35 HG23 ILE 35 -0.105 -28.371 -9.252 261 HD11 ILE 35 HD11 ILE 35 -1.531 -25.757 -7.082 262 HD12 ILE 35 HD12 ILE 35 -0.974 -25.457 -8.729 263 HD13 ILE 35 HD13 ILE 35 -1.355 -27.098 -8.213 264 H TRP 36 H TRP 36 3.607 -29.454 -8.285 265 HA TRP 36 HA TRP 36 5.452 -28.894 -10.473 266 HB2 TRP 36 HB2 TRP 36 6.345 -31.096 -10.084 267 HB3 TRP 36 HB3 TRP 36 6.148 -30.302 -8.523 268 HD1 TRP 36 HD1 TRP 36 4.165 -31.215 -6.927 269 HE1 TRP 36 HE1 TRP 36 2.986 -33.501 -6.838 270 HE3 TRP 36 HE3 TRP 36 5.546 -33.020 -11.506 271 HZ2 TRP 36 HZ2 TRP 36 2.682 -35.770 -8.489 272 HZ3 TRP 36 HZ3 TRP 36 4.771 -35.257 -12.175 273 HH2 TRP 36 HH2 TRP 36 3.368 -36.602 -10.696 Start of MODEL 8 1 H SER 1 H SER 1 -2.633 -2.350 0.008 2 HA SER 1 HA SER 1 -0.971 -1.516 -2.197 3 HB2 SER 1 HB2 SER 1 0.600 -0.793 -0.404 4 HB3 SER 1 HB3 SER 1 -1.024 -0.137 -0.198 5 HG SER 1 HG SER 1 0.289 -1.358 1.612 6 H GLU 2 H GLU 2 -1.225 -4.056 -2.709 7 HA GLU 2 HA GLU 2 0.989 -5.524 -1.482 8 HB2 GLU 2 HB2 GLU 2 -1.183 -6.665 -1.668 9 HB3 GLU 2 HB3 GLU 2 -1.140 -6.461 -3.413 10 HG2 GLU 2 HG2 GLU 2 0.716 -7.933 -3.621 11 HG3 GLU 2 HG3 GLU 2 0.943 -7.985 -1.873 12 H ASP 3 H ASP 3 2.820 -4.702 -2.405 13 HA ASP 3 HA ASP 3 2.992 -4.658 -5.333 14 HB2 ASP 3 HB2 ASP 3 5.034 -3.592 -3.382 15 HB3 ASP 3 HB3 ASP 3 4.890 -3.229 -5.099 16 H CYS 4 H CYS 4 3.308 -6.798 -5.843 17 HA CYS 4 HA CYS 4 5.848 -7.958 -4.908 18 HB2 CYS 4 HB2 CYS 4 4.752 -10.207 -5.111 19 HB3 CYS 4 HB3 CYS 4 4.114 -9.204 -3.814 20 H LEU 5 H LEU 5 6.686 -9.661 -6.409 21 HA LEU 5 HA LEU 5 6.551 -8.658 -9.125 22 HB2 LEU 5 HB2 LEU 5 8.208 -10.901 -7.982 23 HB3 LEU 5 HB3 LEU 5 8.416 -10.148 -9.562 24 HG LEU 5 HG LEU 5 8.664 -8.494 -7.083 25 HD11 LEU 5 HD11 LEU 5 11.126 -8.987 -7.177 26 HD12 LEU 5 HD12 LEU 5 10.736 -10.361 -8.210 27 HD13 LEU 5 HD13 LEU 5 10.116 -10.294 -6.560 28 HD21 LEU 5 HD21 LEU 5 9.268 -8.272 -9.942 29 HD22 LEU 5 HD22 LEU 5 10.556 -7.707 -8.877 30 HD23 LEU 5 HD23 LEU 5 8.938 -7.016 -8.747 31 H GLY 6 H GLY 6 6.704 -10.469 -10.886 32 HA2 GLY 6 HA2 GLY 6 4.326 -12.150 -10.499 33 HA3 GLY 6 HA3 GLY 6 5.001 -11.665 -12.049 34 H TRP 7 H TRP 7 4.568 -14.088 -12.295 35 HA TRP 7 HA TRP 7 6.406 -15.890 -11.045 36 HB2 TRP 7 HB2 TRP 7 5.462 -17.578 -12.490 37 HB3 TRP 7 HB3 TRP 7 4.155 -16.563 -11.887 38 HD1 TRP 7 HD1 TRP 7 6.048 -17.416 -15.099 39 HE1 TRP 7 HE1 TRP 7 4.699 -16.538 -17.107 40 HE3 TRP 7 HE3 TRP 7 2.467 -14.776 -12.581 41 HZ2 TRP 7 HZ2 TRP 7 2.419 -14.938 -17.564 42 HZ3 TRP 7 HZ3 TRP 7 0.738 -13.600 -13.877 43 HH2 TRP 7 HH2 TRP 7 0.716 -13.680 -16.318 44 H ALA 8 H ALA 8 6.316 -14.090 -14.051 45 HA ALA 8 HA ALA 8 8.764 -15.381 -14.986 46 HB1 ALA 8 HB1 ALA 8 6.942 -13.375 -16.305 47 HB2 ALA 8 HB2 ALA 8 8.397 -14.046 -17.043 48 HB3 ALA 8 HB3 ALA 8 7.043 -15.103 -16.644 49 H SER 9 H SER 9 8.972 -13.805 -12.638 50 HA SER 9 HA SER 9 10.521 -11.496 -13.615 51 HB2 SER 9 HB2 SER 9 8.851 -11.896 -11.161 52 HB3 SER 9 HB3 SER 9 10.218 -10.782 -11.098 53 HG SER 9 HG SER 9 9.292 -9.654 -12.845 54 H ARG 10 H ARG 10 12.396 -10.907 -12.219 55 HA ARG 10 HA ARG 10 13.862 -13.340 -11.513 56 HB2 ARG 10 HB2 ARG 10 14.981 -10.550 -11.767 57 HB3 ARG 10 HB3 ARG 10 15.864 -12.071 -11.786 58 HG2 ARG 10 HG2 ARG 10 13.981 -11.060 -13.906 59 HG3 ARG 10 HG3 ARG 10 15.740 -11.168 -14.013 60 HD2 ARG 10 HD2 ARG 10 15.282 -13.700 -13.455 61 HD3 ARG 10 HD3 ARG 10 13.688 -13.326 -14.110 62 HE ARG 10 HE ARG 10 15.462 -12.360 -15.961 63 HH11 ARG 10 HH11 ARG 10 14.832 -15.451 -14.489 64 HH12 ARG 10 HH12 ARG 10 15.352 -16.361 -15.868 65 HH21 ARG 10 HH21 ARG 10 16.150 -13.546 -17.783 66 HH22 ARG 10 HH22 ARG 10 16.102 -15.276 -17.741 67 H CYS 11 H CYS 11 14.628 -13.752 -9.504 68 HA CYS 11 HA CYS 11 14.651 -11.716 -7.455 69 HB2 CYS 11 HB2 CYS 11 13.091 -12.756 -5.963 70 HB3 CYS 11 HB3 CYS 11 12.278 -12.546 -7.511 71 H SER 12 H SER 12 15.612 -12.481 -5.444 72 HA SER 12 HA SER 12 17.397 -14.775 -5.918 73 HB2 SER 12 HB2 SER 12 17.787 -12.138 -4.580 74 HB3 SER 12 HB3 SER 12 18.677 -13.523 -3.949 75 HG SER 12 HG SER 12 19.855 -13.589 -5.714 76 HA PRO 13 HA PRO 13 15.820 -16.958 -2.457 77 HB2 PRO 13 HB2 PRO 13 18.065 -18.021 -1.361 78 HB3 PRO 13 HB3 PRO 13 17.382 -18.587 -2.890 79 HG2 PRO 13 HG2 PRO 13 19.665 -16.708 -2.412 80 HG3 PRO 13 HG3 PRO 13 19.531 -18.031 -3.585 81 HD2 PRO 13 HD2 PRO 13 19.166 -15.437 -4.270 82 HD3 PRO 13 HD3 PRO 13 18.297 -16.765 -5.064 83 H LYS 14 H LYS 14 18.353 -14.617 -1.874 84 HA LYS 14 HA LYS 14 18.015 -14.602 0.984 85 HB2 LYS 14 HB2 LYS 14 19.425 -12.605 -0.796 86 HB3 LYS 14 HB3 LYS 14 19.573 -12.720 0.952 87 HG2 LYS 14 HG2 LYS 14 20.469 -14.768 -1.063 88 HG3 LYS 14 HG3 LYS 14 21.499 -13.707 -0.099 89 HD2 LYS 14 HD2 LYS 14 19.648 -15.824 0.997 90 HD3 LYS 14 HD3 LYS 14 21.397 -15.984 0.823 91 HE2 LYS 14 HE2 LYS 14 21.483 -13.827 2.259 92 HE3 LYS 14 HE3 LYS 14 19.829 -14.252 2.696 93 HZ1 LYS 14 HZ1 LYS 14 22.160 -16.063 3.017 94 HZ2 LYS 14 HZ2 LYS 14 20.582 -16.338 3.559 95 HZ3 LYS 14 HZ3 LYS 14 21.513 -15.111 4.257 96 H ASN 15 H ASN 15 16.923 -12.653 -1.741 97 HA ASN 15 HA ASN 15 15.050 -11.298 0.079 98 HB2 ASN 15 HB2 ASN 15 16.774 -10.096 -2.075 99 HB3 ASN 15 HB3 ASN 15 15.285 -9.311 -1.557 100 HD21 ASN 15 HD21 ASN 15 15.164 -9.420 1.019 101 HD22 ASN 15 HD22 ASN 15 16.561 -8.754 1.790 102 H ASP 16 H ASP 16 13.658 -13.083 -0.659 103 HA ASP 16 HA ASP 16 12.742 -12.907 -3.421 104 HB2 ASP 16 HB2 ASP 16 13.008 -15.145 -2.670 105 HB3 ASP 16 HB3 ASP 16 12.154 -14.820 -1.165 106 H LYS 17 H LYS 17 11.373 -11.286 -3.805 107 HA LYS 17 HA LYS 17 9.158 -10.868 -1.905 108 HB2 LYS 17 HB2 LYS 17 9.097 -8.518 -2.914 109 HB3 LYS 17 HB3 LYS 17 10.426 -8.889 -1.824 110 HG2 LYS 17 HG2 LYS 17 10.855 -9.325 -4.727 111 HG3 LYS 17 HG3 LYS 17 10.803 -7.663 -4.133 112 HD2 LYS 17 HD2 LYS 17 12.476 -9.627 -2.654 113 HD3 LYS 17 HD3 LYS 17 13.061 -9.047 -4.215 114 HE2 LYS 17 HE2 LYS 17 12.156 -7.210 -2.009 115 HE3 LYS 17 HE3 LYS 17 13.826 -7.747 -2.187 116 HZ1 LYS 17 HZ1 LYS 17 13.292 -6.872 -4.652 117 HZ2 LYS 17 HZ2 LYS 17 13.989 -5.914 -3.445 118 HZ3 LYS 17 HZ3 LYS 17 12.327 -5.819 -3.745 119 H CYS 18 H CYS 18 8.592 -12.793 -3.550 120 HA CYS 18 HA CYS 18 7.203 -11.632 -5.867 121 HB2 CYS 18 HB2 CYS 18 8.110 -14.447 -5.265 122 HB3 CYS 18 HB3 CYS 18 7.021 -14.062 -6.595 123 H CYS 19 H CYS 19 5.045 -12.360 -6.350 124 HA CYS 19 HA CYS 19 3.254 -12.153 -4.260 125 HB2 CYS 19 HB2 CYS 19 3.071 -13.143 -7.066 126 HB3 CYS 19 HB3 CYS 19 1.718 -13.475 -5.990 127 HA PRO 20 HA PRO 20 2.962 -16.041 -2.251 128 HB2 PRO 20 HB2 PRO 20 0.291 -16.285 -1.827 129 HB3 PRO 20 HB3 PRO 20 1.303 -15.136 -0.944 130 HG2 PRO 20 HG2 PRO 20 -0.481 -14.667 -3.302 131 HG3 PRO 20 HG3 PRO 20 -0.273 -13.681 -1.842 132 HD2 PRO 20 HD2 PRO 20 0.918 -13.068 -4.196 133 HD3 PRO 20 HD3 PRO 20 1.661 -12.703 -2.626 134 H ASN 21 H ASN 21 1.762 -18.195 -2.297 135 HA ASN 21 HA ASN 21 1.182 -20.096 -3.402 136 HB2 ASN 21 HB2 ASN 21 0.062 -18.395 -5.621 137 HB3 ASN 21 HB3 ASN 21 -0.479 -19.979 -5.075 138 HD21 ASN 21 HD21 ASN 21 -1.454 -20.100 -2.941 139 HD22 ASN 21 HD22 ASN 21 -2.362 -18.750 -2.358 140 H TYR 22 H TYR 22 3.719 -18.641 -3.965 141 HA TYR 22 HA TYR 22 4.376 -20.036 -6.468 142 HB2 TYR 22 HB2 TYR 22 5.071 -17.211 -5.691 143 HB3 TYR 22 HB3 TYR 22 6.034 -18.106 -6.862 144 HD1 TYR 22 HD1 TYR 22 4.221 -19.475 -8.546 145 HD2 TYR 22 HD2 TYR 22 3.736 -15.655 -6.737 146 HE1 TYR 22 HE1 TYR 22 2.654 -18.837 -10.329 147 HE2 TYR 22 HE2 TYR 22 2.165 -15.006 -8.516 148 HH TYR 22 HH TYR 22 1.846 -16.674 -11.383 149 H LYS 23 H LYS 23 6.978 -19.832 -6.658 150 HA LYS 23 HA LYS 23 8.286 -20.204 -4.100 151 HB2 LYS 23 HB2 LYS 23 7.167 -22.428 -4.989 152 HB3 LYS 23 HB3 LYS 23 8.592 -22.475 -6.018 153 HG2 LYS 23 HG2 LYS 23 8.661 -22.276 -3.015 154 HG3 LYS 23 HG3 LYS 23 8.832 -23.775 -3.931 155 HD2 LYS 23 HD2 LYS 23 10.809 -22.830 -5.059 156 HD3 LYS 23 HD3 LYS 23 10.650 -21.369 -4.082 157 HE2 LYS 23 HE2 LYS 23 11.236 -24.163 -3.118 158 HE3 LYS 23 HE3 LYS 23 12.319 -22.773 -3.085 159 HZ1 LYS 23 HZ1 LYS 23 11.544 -22.799 -0.946 160 HZ2 LYS 23 HZ2 LYS 23 10.008 -23.367 -1.374 161 HZ3 LYS 23 HZ3 LYS 23 10.421 -21.750 -1.655 162 H CYS 24 H CYS 24 9.946 -18.859 -4.396 163 HA CYS 24 HA CYS 24 11.093 -18.137 -6.830 164 HB2 CYS 24 HB2 CYS 24 11.315 -17.088 -4.445 165 HB3 CYS 24 HB3 CYS 24 12.712 -18.150 -4.306 166 H SER 25 H SER 25 12.641 -18.976 -8.101 167 HA SER 25 HA SER 25 13.833 -21.529 -7.258 168 HB2 SER 25 HB2 SER 25 12.480 -21.747 -9.255 169 HB3 SER 25 HB3 SER 25 13.331 -20.407 -10.024 170 HG SER 25 HG SER 25 14.240 -23.015 -9.478 171 H SER 26 H SER 26 15.832 -21.308 -6.514 172 HA SER 26 HA SER 26 17.496 -19.079 -7.107 173 HB2 SER 26 HB2 SER 26 18.614 -21.628 -6.002 174 HB3 SER 26 HB3 SER 26 18.983 -19.961 -5.562 175 HG SER 26 HG SER 26 17.633 -21.293 -4.067 176 H LYS 27 H LYS 27 16.838 -21.955 -8.760 177 HA LYS 27 HA LYS 27 19.344 -22.462 -9.969 178 HB2 LYS 27 HB2 LYS 27 16.509 -23.198 -10.587 179 HB3 LYS 27 HB3 LYS 27 17.755 -23.499 -11.793 180 HG2 LYS 27 HG2 LYS 27 17.579 -25.501 -10.613 181 HG3 LYS 27 HG3 LYS 27 19.014 -24.721 -9.942 182 HD2 LYS 27 HD2 LYS 27 17.846 -24.052 -7.990 183 HD3 LYS 27 HD3 LYS 27 16.283 -24.459 -8.701 184 HE2 LYS 27 HE2 LYS 27 16.851 -26.815 -8.674 185 HE3 LYS 27 HE3 LYS 27 18.465 -26.444 -8.067 186 HZ1 LYS 27 HZ1 LYS 27 17.694 -26.404 -6.004 187 HZ2 LYS 27 HZ2 LYS 27 16.198 -26.948 -6.576 188 HZ3 LYS 27 HZ3 LYS 27 16.484 -25.290 -6.400 189 H ASP 28 H ASP 28 16.441 -20.893 -11.334 190 HA ASP 28 HA ASP 28 18.190 -19.534 -13.269 191 HB2 ASP 28 HB2 ASP 28 15.535 -20.723 -13.441 192 HB3 ASP 28 HB3 ASP 28 15.570 -19.075 -14.063 193 H LEU 29 H LEU 29 17.224 -18.889 -10.355 194 HA LEU 29 HA LEU 29 16.658 -17.049 -9.135 195 HB2 LEU 29 HB2 LEU 29 17.897 -15.699 -11.528 196 HB3 LEU 29 HB3 LEU 29 17.543 -14.901 -9.996 197 HG LEU 29 HG LEU 29 19.456 -17.214 -10.293 198 HD11 LEU 29 HD11 LEU 29 21.113 -15.259 -9.803 199 HD12 LEU 29 HD12 LEU 29 19.847 -14.266 -10.526 200 HD13 LEU 29 HD13 LEU 29 20.576 -15.577 -11.453 201 HD21 LEU 29 HD21 LEU 29 19.588 -17.202 -8.077 202 HD22 LEU 29 HD22 LEU 29 18.216 -16.093 -8.050 203 HD23 LEU 29 HD23 LEU 29 19.864 -15.459 -8.052 204 H TRP 30 H TRP 30 14.535 -18.081 -10.619 205 HA TRP 30 HA TRP 30 12.987 -15.629 -11.095 206 HB2 TRP 30 HB2 TRP 30 11.968 -16.489 -13.054 207 HB3 TRP 30 HB3 TRP 30 13.692 -16.789 -13.250 208 HD1 TRP 30 HD1 TRP 30 14.215 -19.467 -11.946 209 HE1 TRP 30 HE1 TRP 30 13.072 -21.640 -12.719 210 HE3 TRP 30 HE3 TRP 30 10.145 -17.451 -14.292 211 HZ2 TRP 30 HZ2 TRP 30 10.752 -22.399 -14.136 212 HZ3 TRP 30 HZ3 TRP 30 8.511 -18.970 -15.330 213 HH2 TRP 30 HH2 TRP 30 8.810 -21.392 -15.254 214 H CYS 31 H CYS 31 10.745 -15.789 -10.649 215 HA CYS 31 HA CYS 31 10.126 -17.497 -8.458 216 HB2 CYS 31 HB2 CYS 31 8.161 -15.865 -10.068 217 HB3 CYS 31 HB3 CYS 31 8.012 -16.381 -8.391 218 H LYS 32 H LYS 32 9.762 -19.599 -8.706 219 HA LYS 32 HA LYS 32 8.546 -20.611 -11.149 220 HB2 LYS 32 HB2 LYS 32 10.115 -21.753 -8.915 221 HB3 LYS 32 HB3 LYS 32 8.904 -22.816 -9.621 222 HG2 LYS 32 HG2 LYS 32 9.925 -22.308 -11.864 223 HG3 LYS 32 HG3 LYS 32 11.239 -21.513 -10.993 224 HD2 LYS 32 HD2 LYS 32 12.103 -23.628 -11.246 225 HD3 LYS 32 HD3 LYS 32 11.315 -23.780 -9.673 226 HE2 LYS 32 HE2 LYS 32 9.425 -24.867 -10.649 227 HE3 LYS 32 HE3 LYS 32 10.001 -24.526 -12.279 228 HZ1 LYS 32 HZ1 LYS 32 10.380 -26.849 -11.402 229 HZ2 LYS 32 HZ2 LYS 32 11.552 -26.184 -10.381 230 HZ3 LYS 32 HZ3 LYS 32 11.730 -26.070 -12.060 231 H TYR 33 H TYR 33 6.858 -22.353 -10.910 232 HA TYR 33 HA TYR 33 4.636 -21.286 -9.464 233 HB2 TYR 33 HB2 TYR 33 3.416 -23.252 -10.388 234 HB3 TYR 33 HB3 TYR 33 4.254 -22.311 -11.617 235 HD1 TYR 33 HD1 TYR 33 4.341 -25.446 -9.668 236 HD2 TYR 33 HD2 TYR 33 5.992 -23.273 -12.932 237 HE1 TYR 33 HE1 TYR 33 5.480 -27.484 -10.442 238 HE2 TYR 33 HE2 TYR 33 7.136 -25.305 -13.715 239 HH TYR 33 HH TYR 33 7.826 -27.415 -13.012 240 H LYS 34 H LYS 34 3.505 -22.189 -7.747 241 HA LYS 34 HA LYS 34 5.121 -23.818 -5.963 242 HB2 LYS 34 HB2 LYS 34 3.616 -21.689 -5.429 243 HB3 LYS 34 HB3 LYS 34 2.376 -22.920 -5.227 244 HG2 LYS 34 HG2 LYS 34 4.993 -23.264 -3.847 245 HG3 LYS 34 HG3 LYS 34 3.814 -22.121 -3.198 246 HD2 LYS 34 HD2 LYS 34 2.176 -24.167 -3.526 247 HD3 LYS 34 HD3 LYS 34 3.676 -25.088 -3.411 248 HE2 LYS 34 HE2 LYS 34 4.015 -24.523 -1.224 249 HE3 LYS 34 HE3 LYS 34 3.193 -22.971 -1.385 250 HZ1 LYS 34 HZ1 LYS 34 1.773 -25.574 -1.431 251 HZ2 LYS 34 HZ2 LYS 34 1.092 -24.032 -1.299 252 HZ3 LYS 34 HZ3 LYS 34 2.000 -24.667 -0.021 253 H ILE 35 H ILE 35 2.352 -24.122 -8.018 254 HA ILE 35 HA ILE 35 1.979 -26.884 -7.060 255 HB ILE 35 HB ILE 35 -0.149 -25.091 -8.235 256 HG12 ILE 35 HG12 ILE 35 0.068 -26.128 -5.405 257 HG13 ILE 35 HG13 ILE 35 0.619 -24.530 -5.892 258 HG21 ILE 35 HG21 ILE 35 -1.461 -27.155 -7.086 259 HG22 ILE 35 HG22 ILE 35 -1.020 -27.090 -8.791 260 HG23 ILE 35 HG23 ILE 35 -0.001 -27.968 -7.651 261 HD11 ILE 35 HD11 ILE 35 -1.559 -24.367 -4.903 262 HD12 ILE 35 HD12 ILE 35 -1.676 -24.007 -6.626 263 HD13 ILE 35 HD13 ILE 35 -2.196 -25.578 -6.016 264 H TRP 36 H TRP 36 1.779 -28.492 -8.579 265 HA TRP 36 HA TRP 36 2.894 -27.946 -11.161 266 HB2 TRP 36 HB2 TRP 36 3.422 -30.021 -9.959 267 HB3 TRP 36 HB3 TRP 36 1.728 -30.502 -10.036 268 HD1 TRP 36 HD1 TRP 36 4.119 -29.246 -12.835 269 HE1 TRP 36 HE1 TRP 36 4.030 -30.946 -14.765 270 HE3 TRP 36 HE3 TRP 36 0.932 -32.661 -10.759 271 HZ2 TRP 36 HZ2 TRP 36 2.773 -33.409 -15.332 272 HZ3 TRP 36 HZ3 TRP 36 0.336 -34.662 -12.061 273 HH2 TRP 36 HH2 TRP 36 1.238 -35.026 -14.300 Start of MODEL 9 1 H SER 1 H SER 1 -0.375 -1.510 1.351 2 HA SER 1 HA SER 1 -1.020 -3.454 -0.690 3 HB2 SER 1 HB2 SER 1 -0.911 -0.438 -0.660 4 HB3 SER 1 HB3 SER 1 -1.224 -1.356 -2.132 5 HG SER 1 HG SER 1 -2.897 -2.400 -0.589 6 H GLU 2 H GLU 2 1.140 -4.473 -0.548 7 HA GLU 2 HA GLU 2 3.321 -2.963 -1.755 8 HB2 GLU 2 HB2 GLU 2 3.181 -5.754 -0.607 9 HB3 GLU 2 HB3 GLU 2 4.626 -5.069 -1.334 10 HG2 GLU 2 HG2 GLU 2 3.192 -4.016 1.093 11 HG3 GLU 2 HG3 GLU 2 4.709 -4.913 1.082 12 H ASP 3 H ASP 3 4.310 -3.499 -3.697 13 HA ASP 3 HA ASP 3 2.597 -4.957 -5.561 14 HB2 ASP 3 HB2 ASP 3 4.922 -3.074 -5.973 15 HB3 ASP 3 HB3 ASP 3 4.149 -3.952 -7.290 16 H CYS 4 H CYS 4 3.016 -7.100 -5.278 17 HA CYS 4 HA CYS 4 5.628 -8.163 -4.901 18 HB2 CYS 4 HB2 CYS 4 4.552 -10.354 -5.224 19 HB3 CYS 4 HB3 CYS 4 3.644 -9.346 -4.101 20 H LEU 5 H LEU 5 6.483 -9.905 -6.417 21 HA LEU 5 HA LEU 5 6.861 -8.701 -9.007 22 HB2 LEU 5 HB2 LEU 5 7.942 -11.228 -7.775 23 HB3 LEU 5 HB3 LEU 5 8.393 -10.638 -9.373 24 HG LEU 5 HG LEU 5 8.839 -9.045 -6.857 25 HD11 LEU 5 HD11 LEU 5 10.493 -11.191 -8.112 26 HD12 LEU 5 HD12 LEU 5 10.177 -10.867 -6.408 27 HD13 LEU 5 HD13 LEU 5 11.276 -9.826 -7.314 28 HD21 LEU 5 HD21 LEU 5 9.328 -7.469 -8.352 29 HD22 LEU 5 HD22 LEU 5 9.241 -8.612 -9.693 30 HD23 LEU 5 HD23 LEU 5 10.740 -8.436 -8.779 31 H GLY 6 H GLY 6 7.035 -10.490 -10.877 32 HA2 GLY 6 HA2 GLY 6 4.340 -11.672 -11.012 33 HA3 GLY 6 HA3 GLY 6 5.298 -11.174 -12.399 34 H TRP 7 H TRP 7 4.099 -13.671 -12.264 35 HA TRP 7 HA TRP 7 5.574 -15.770 -11.243 36 HB2 TRP 7 HB2 TRP 7 4.507 -17.173 -12.889 37 HB3 TRP 7 HB3 TRP 7 3.350 -15.952 -12.366 38 HD1 TRP 7 HD1 TRP 7 3.696 -13.586 -14.170 39 HE1 TRP 7 HE1 TRP 7 3.454 -13.708 -16.730 40 HE3 TRP 7 HE3 TRP 7 4.507 -18.591 -14.825 41 HZ2 TRP 7 HZ2 TRP 7 3.588 -15.667 -18.758 42 HZ3 TRP 7 HZ3 TRP 7 4.432 -19.510 -17.107 43 HH2 TRP 7 HH2 TRP 7 3.982 -18.076 -19.031 44 H ALA 8 H ALA 8 6.163 -13.841 -14.111 45 HA ALA 8 HA ALA 8 8.565 -15.446 -14.678 46 HB1 ALA 8 HB1 ALA 8 8.468 -14.132 -16.896 47 HB2 ALA 8 HB2 ALA 8 7.307 -15.434 -16.632 48 HB3 ALA 8 HB3 ALA 8 6.812 -13.754 -16.421 49 H SER 9 H SER 9 8.823 -13.797 -12.544 50 HA SER 9 HA SER 9 10.355 -11.507 -13.591 51 HB2 SER 9 HB2 SER 9 8.954 -11.825 -10.927 52 HB3 SER 9 HB3 SER 9 9.999 -10.469 -11.344 53 HG SER 9 HG SER 9 8.557 -9.961 -13.030 54 H ARG 10 H ARG 10 12.160 -10.830 -12.059 55 HA ARG 10 HA ARG 10 13.724 -13.214 -11.437 56 HB2 ARG 10 HB2 ARG 10 14.612 -10.325 -11.474 57 HB3 ARG 10 HB3 ARG 10 15.648 -11.745 -11.408 58 HG2 ARG 10 HG2 ARG 10 13.821 -11.085 -13.707 59 HG3 ARG 10 HG3 ARG 10 15.537 -10.678 -13.640 60 HD2 ARG 10 HD2 ARG 10 16.202 -12.870 -13.845 61 HD3 ARG 10 HD3 ARG 10 14.703 -13.499 -13.166 62 HE ARG 10 HE ARG 10 13.918 -12.378 -15.505 63 HH11 ARG 10 HH11 ARG 10 16.367 -14.698 -14.647 64 HH12 ARG 10 HH12 ARG 10 16.291 -15.534 -16.163 65 HH21 ARG 10 HH21 ARG 10 13.808 -13.469 -17.505 66 HH22 ARG 10 HH22 ARG 10 14.836 -14.833 -17.788 67 H CYS 11 H CYS 11 14.716 -13.566 -9.442 68 HA CYS 11 HA CYS 11 14.398 -11.779 -7.237 69 HB2 CYS 11 HB2 CYS 11 12.867 -13.035 -5.895 70 HB3 CYS 11 HB3 CYS 11 12.098 -12.782 -7.459 71 H SER 12 H SER 12 15.305 -12.671 -5.232 72 HA SER 12 HA SER 12 17.206 -14.856 -5.782 73 HB2 SER 12 HB2 SER 12 17.582 -12.193 -4.500 74 HB3 SER 12 HB3 SER 12 18.495 -13.550 -3.840 75 HG SER 12 HG SER 12 18.493 -12.646 -6.530 76 HA PRO 13 HA PRO 13 15.752 -17.034 -2.262 77 HB2 PRO 13 HB2 PRO 13 18.042 -18.046 -1.211 78 HB3 PRO 13 HB3 PRO 13 17.333 -18.637 -2.718 79 HG2 PRO 13 HG2 PRO 13 19.591 -16.714 -2.313 80 HG3 PRO 13 HG3 PRO 13 19.454 -18.051 -3.470 81 HD2 PRO 13 HD2 PRO 13 19.026 -15.470 -4.169 82 HD3 PRO 13 HD3 PRO 13 18.162 -16.822 -4.930 83 H LYS 14 H LYS 14 18.010 -14.463 -1.847 84 HA LYS 14 HA LYS 14 17.774 -14.472 1.055 85 HB2 LYS 14 HB2 LYS 14 19.362 -12.629 1.006 86 HB3 LYS 14 HB3 LYS 14 19.952 -13.963 0.023 87 HG2 LYS 14 HG2 LYS 14 19.140 -12.790 -1.993 88 HG3 LYS 14 HG3 LYS 14 18.666 -11.429 -0.973 89 HD2 LYS 14 HD2 LYS 14 20.937 -11.028 -0.338 90 HD3 LYS 14 HD3 LYS 14 21.474 -12.520 -1.114 91 HE2 LYS 14 HE2 LYS 14 20.862 -11.619 -3.294 92 HE3 LYS 14 HE3 LYS 14 20.270 -10.143 -2.532 93 HZ1 LYS 14 HZ1 LYS 14 23.023 -11.038 -2.962 94 HZ2 LYS 14 HZ2 LYS 14 22.700 -10.113 -1.582 95 HZ3 LYS 14 HZ3 LYS 14 22.355 -9.492 -3.118 96 H ASN 15 H ASN 15 16.705 -12.610 -1.732 97 HA ASN 15 HA ASN 15 14.846 -11.170 0.038 98 HB2 ASN 15 HB2 ASN 15 16.715 -10.082 -2.018 99 HB3 ASN 15 HB3 ASN 15 15.136 -9.318 -1.850 100 HD21 ASN 15 HD21 ASN 15 18.105 -8.756 -1.088 101 HD22 ASN 15 HD22 ASN 15 17.962 -8.098 0.503 102 H ASP 16 H ASP 16 13.541 -13.082 -0.703 103 HA ASP 16 HA ASP 16 12.579 -12.929 -3.444 104 HB2 ASP 16 HB2 ASP 16 12.866 -15.154 -2.713 105 HB3 ASP 16 HB3 ASP 16 12.091 -14.834 -1.164 106 H LYS 17 H LYS 17 11.122 -11.411 -3.882 107 HA LYS 17 HA LYS 17 8.921 -11.001 -1.965 108 HB2 LYS 17 HB2 LYS 17 8.809 -8.653 -2.929 109 HB3 LYS 17 HB3 LYS 17 10.188 -9.004 -1.895 110 HG2 LYS 17 HG2 LYS 17 10.533 -9.419 -4.807 111 HG3 LYS 17 HG3 LYS 17 10.426 -7.757 -4.224 112 HD2 LYS 17 HD2 LYS 17 12.231 -9.643 -2.795 113 HD3 LYS 17 HD3 LYS 17 12.740 -9.028 -4.369 114 HE2 LYS 17 HE2 LYS 17 11.842 -7.273 -2.091 115 HE3 LYS 17 HE3 LYS 17 13.527 -7.689 -2.400 116 HZ1 LYS 17 HZ1 LYS 17 13.302 -5.694 -3.491 117 HZ2 LYS 17 HZ2 LYS 17 11.714 -5.999 -3.985 118 HZ3 LYS 17 HZ3 LYS 17 13.003 -6.784 -4.749 119 H CYS 18 H CYS 18 8.391 -12.936 -3.602 120 HA CYS 18 HA CYS 18 6.979 -11.800 -5.919 121 HB2 CYS 18 HB2 CYS 18 7.665 -14.698 -5.398 122 HB3 CYS 18 HB3 CYS 18 7.011 -14.019 -6.885 123 H CYS 19 H CYS 19 4.845 -12.591 -6.409 124 HA CYS 19 HA CYS 19 3.050 -12.457 -4.318 125 HB2 CYS 19 HB2 CYS 19 2.902 -13.412 -7.134 126 HB3 CYS 19 HB3 CYS 19 1.565 -13.828 -6.067 127 HA PRO 20 HA PRO 20 2.878 -16.366 -2.337 128 HB2 PRO 20 HB2 PRO 20 0.217 -16.699 -1.918 129 HB3 PRO 20 HB3 PRO 20 1.190 -15.524 -1.025 130 HG2 PRO 20 HG2 PRO 20 -0.606 -15.095 -3.382 131 HG3 PRO 20 HG3 PRO 20 -0.431 -14.113 -1.915 132 HD2 PRO 20 HD2 PRO 20 0.742 -13.446 -4.263 133 HD3 PRO 20 HD3 PRO 20 1.472 -13.069 -2.689 134 H ASN 21 H ASN 21 1.732 -18.554 -2.396 135 HA ASN 21 HA ASN 21 1.209 -20.464 -3.515 136 HB2 ASN 21 HB2 ASN 21 0.040 -18.703 -5.673 137 HB3 ASN 21 HB3 ASN 21 -0.393 -20.366 -5.289 138 HD21 ASN 21 HD21 ASN 21 -1.480 -20.774 -3.287 139 HD22 ASN 21 HD22 ASN 21 -2.460 -19.544 -2.571 140 H TYR 22 H TYR 22 3.715 -18.953 -4.045 141 HA TYR 22 HA TYR 22 4.425 -20.308 -6.555 142 HB2 TYR 22 HB2 TYR 22 5.013 -17.471 -5.754 143 HB3 TYR 22 HB3 TYR 22 6.058 -18.326 -6.882 144 HD1 TYR 22 HD1 TYR 22 4.358 -19.769 -8.631 145 HD2 TYR 22 HD2 TYR 22 3.676 -15.960 -6.864 146 HE1 TYR 22 HE1 TYR 22 2.842 -19.190 -10.480 147 HE2 TYR 22 HE2 TYR 22 2.158 -15.371 -8.707 148 HH TYR 22 HH TYR 22 0.745 -16.560 -10.380 149 H LYS 23 H LYS 23 7.024 -20.043 -6.720 150 HA LYS 23 HA LYS 23 8.304 -20.434 -4.147 151 HB2 LYS 23 HB2 LYS 23 7.390 -22.668 -4.717 152 HB3 LYS 23 HB3 LYS 23 8.304 -22.637 -6.220 153 HG2 LYS 23 HG2 LYS 23 9.405 -23.982 -4.504 154 HG3 LYS 23 HG3 LYS 23 10.389 -22.598 -4.983 155 HD2 LYS 23 HD2 LYS 23 9.786 -21.402 -2.997 156 HD3 LYS 23 HD3 LYS 23 8.594 -22.628 -2.560 157 HE2 LYS 23 HE2 LYS 23 11.535 -23.210 -2.832 158 HE3 LYS 23 HE3 LYS 23 10.789 -22.719 -1.313 159 HZ1 LYS 23 HZ1 LYS 23 9.849 -25.058 -2.870 160 HZ2 LYS 23 HZ2 LYS 23 9.485 -24.661 -1.266 161 HZ3 LYS 23 HZ3 LYS 23 11.042 -25.179 -1.677 162 H CYS 24 H CYS 24 9.924 -19.028 -4.370 163 HA CYS 24 HA CYS 24 11.087 -18.183 -6.752 164 HB2 CYS 24 HB2 CYS 24 11.251 -17.165 -4.388 165 HB3 CYS 24 HB3 CYS 24 12.604 -18.268 -4.154 166 H SER 25 H SER 25 12.554 -19.016 -8.091 167 HA SER 25 HA SER 25 13.839 -21.541 -7.323 168 HB2 SER 25 HB2 SER 25 12.505 -21.691 -9.343 169 HB3 SER 25 HB3 SER 25 13.349 -20.311 -10.045 170 HG SER 25 HG SER 25 14.002 -22.842 -10.247 171 H SER 26 H SER 26 15.829 -21.319 -6.555 172 HA SER 26 HA SER 26 17.453 -19.034 -7.030 173 HB2 SER 26 HB2 SER 26 18.630 -21.601 -6.042 174 HB3 SER 26 HB3 SER 26 18.931 -19.949 -5.502 175 HG SER 26 HG SER 26 16.998 -21.749 -4.705 176 H LYS 27 H LYS 27 16.877 -21.859 -8.808 177 HA LYS 27 HA LYS 27 19.396 -22.255 -10.020 178 HB2 LYS 27 HB2 LYS 27 16.589 -23.047 -10.639 179 HB3 LYS 27 HB3 LYS 27 17.791 -23.200 -11.914 180 HG2 LYS 27 HG2 LYS 27 17.783 -25.290 -10.910 181 HG3 LYS 27 HG3 LYS 27 19.176 -24.488 -10.180 182 HD2 LYS 27 HD2 LYS 27 18.028 -24.100 -8.162 183 HD3 LYS 27 HD3 LYS 27 16.459 -24.450 -8.893 184 HE2 LYS 27 HE2 LYS 27 17.454 -26.805 -9.308 185 HE3 LYS 27 HE3 LYS 27 18.637 -26.342 -8.085 186 HZ1 LYS 27 HZ1 LYS 27 16.866 -27.478 -7.009 187 HZ2 LYS 27 HZ2 LYS 27 15.694 -26.513 -7.756 188 HZ3 LYS 27 HZ3 LYS 27 16.728 -25.842 -6.597 189 H ASP 28 H ASP 28 16.475 -20.683 -11.340 190 HA ASP 28 HA ASP 28 18.210 -19.208 -13.200 191 HB2 ASP 28 HB2 ASP 28 15.577 -20.431 -13.439 192 HB3 ASP 28 HB3 ASP 28 15.580 -18.754 -13.976 193 H LEU 29 H LEU 29 17.218 -18.711 -10.264 194 HA LEU 29 HA LEU 29 16.622 -16.935 -8.965 195 HB2 LEU 29 HB2 LEU 29 17.744 -15.338 -11.260 196 HB3 LEU 29 HB3 LEU 29 17.565 -14.801 -9.590 197 HG LEU 29 HG LEU 29 19.370 -17.069 -10.411 198 HD11 LEU 29 HD11 LEU 29 21.196 -15.578 -10.470 199 HD12 LEU 29 HD12 LEU 29 20.226 -14.243 -9.847 200 HD13 LEU 29 HD13 LEU 29 19.946 -14.851 -11.478 201 HD21 LEU 29 HD21 LEU 29 19.410 -15.349 -7.939 202 HD22 LEU 29 HD22 LEU 29 20.326 -16.825 -8.248 203 HD23 LEU 29 HD23 LEU 29 18.576 -16.901 -8.035 204 H TRP 30 H TRP 30 14.525 -17.929 -10.520 205 HA TRP 30 HA TRP 30 12.940 -15.482 -10.880 206 HB2 TRP 30 HB2 TRP 30 11.954 -16.248 -12.891 207 HB3 TRP 30 HB3 TRP 30 13.684 -16.524 -13.087 208 HD1 TRP 30 HD1 TRP 30 14.214 -19.261 -11.905 209 HE1 TRP 30 HE1 TRP 30 13.100 -21.400 -12.801 210 HE3 TRP 30 HE3 TRP 30 10.160 -17.162 -14.206 211 HZ2 TRP 30 HZ2 TRP 30 10.807 -22.106 -14.287 212 HZ3 TRP 30 HZ3 TRP 30 8.554 -18.639 -15.342 213 HH2 TRP 30 HH2 TRP 30 8.872 -21.060 -15.381 214 H CYS 31 H CYS 31 10.707 -15.692 -10.446 215 HA CYS 31 HA CYS 31 10.093 -17.501 -8.347 216 HB2 CYS 31 HB2 CYS 31 8.110 -15.866 -9.931 217 HB3 CYS 31 HB3 CYS 31 7.945 -16.449 -8.279 218 H LYS 32 H LYS 32 9.816 -19.606 -8.688 219 HA LYS 32 HA LYS 32 8.644 -20.560 -11.175 220 HB2 LYS 32 HB2 LYS 32 10.268 -21.721 -9.001 221 HB3 LYS 32 HB3 LYS 32 9.073 -22.805 -9.703 222 HG2 LYS 32 HG2 LYS 32 10.039 -22.158 -11.962 223 HG3 LYS 32 HG3 LYS 32 11.377 -21.441 -11.059 224 HD2 LYS 32 HD2 LYS 32 11.961 -23.549 -10.106 225 HD3 LYS 32 HD3 LYS 32 10.488 -24.302 -10.723 226 HE2 LYS 32 HE2 LYS 32 11.458 -23.528 -13.041 227 HE3 LYS 32 HE3 LYS 32 12.986 -23.541 -12.161 228 HZ1 LYS 32 HZ1 LYS 32 11.505 -25.901 -11.638 229 HZ2 LYS 32 HZ2 LYS 32 13.059 -25.738 -12.284 230 HZ3 LYS 32 HZ3 LYS 32 11.711 -25.699 -13.304 231 H TYR 33 H TYR 33 7.201 -22.658 -10.724 232 HA TYR 33 HA TYR 33 4.833 -21.638 -9.433 233 HB2 TYR 33 HB2 TYR 33 5.182 -24.379 -10.643 234 HB3 TYR 33 HB3 TYR 33 3.687 -23.478 -10.417 235 HD1 TYR 33 HD1 TYR 33 6.256 -24.317 -12.702 236 HD2 TYR 33 HD2 TYR 33 3.491 -21.236 -11.724 237 HE1 TYR 33 HE1 TYR 33 6.460 -23.419 -14.983 238 HE2 TYR 33 HE2 TYR 33 3.685 -20.329 -14.002 239 HH TYR 33 HH TYR 33 5.726 -21.912 -16.440 240 H LYS 34 H LYS 34 3.725 -22.585 -7.709 241 HA LYS 34 HA LYS 34 5.444 -23.940 -5.799 242 HB2 LYS 34 HB2 LYS 34 3.695 -21.970 -5.421 243 HB3 LYS 34 HB3 LYS 34 2.592 -23.321 -5.193 244 HG2 LYS 34 HG2 LYS 34 5.188 -23.219 -3.713 245 HG3 LYS 34 HG3 LYS 34 3.789 -22.303 -3.146 246 HD2 LYS 34 HD2 LYS 34 2.589 -24.642 -3.507 247 HD3 LYS 34 HD3 LYS 34 4.230 -25.241 -3.251 248 HE2 LYS 34 HE2 LYS 34 4.269 -23.786 -1.168 249 HE3 LYS 34 HE3 LYS 34 2.531 -23.599 -1.390 250 HZ1 LYS 34 HZ1 LYS 34 3.897 -26.221 -1.137 251 HZ2 LYS 34 HZ2 LYS 34 2.230 -25.940 -1.161 252 HZ3 LYS 34 HZ3 LYS 34 3.157 -25.410 0.151 253 H ILE 35 H ILE 35 2.796 -24.651 -7.914 254 HA ILE 35 HA ILE 35 2.400 -27.270 -6.650 255 HB ILE 35 HB ILE 35 0.771 -25.939 -8.819 256 HG12 ILE 35 HG12 ILE 35 0.056 -26.356 -5.913 257 HG13 ILE 35 HG13 ILE 35 0.699 -24.846 -6.549 258 HG21 ILE 35 HG21 ILE 35 0.073 -28.031 -9.184 259 HG22 ILE 35 HG22 ILE 35 0.790 -28.629 -7.688 260 HG23 ILE 35 HG23 ILE 35 -0.796 -27.860 -7.659 261 HD11 ILE 35 HD11 ILE 35 -1.414 -25.394 -8.225 262 HD12 ILE 35 HD12 ILE 35 -1.993 -25.908 -6.639 263 HD13 ILE 35 HD13 ILE 35 -1.414 -24.259 -6.875 264 H TRP 36 H TRP 36 2.987 -29.127 -7.616 265 HA TRP 36 HA TRP 36 3.448 -29.343 -10.432 266 HB2 TRP 36 HB2 TRP 36 5.536 -28.185 -9.438 267 HB3 TRP 36 HB3 TRP 36 5.899 -29.761 -8.739 268 HD1 TRP 36 HD1 TRP 36 5.733 -31.819 -10.823 269 HE1 TRP 36 HE1 TRP 36 6.963 -31.728 -13.082 270 HE3 TRP 36 HE3 TRP 36 6.564 -26.782 -11.093 271 HZ2 TRP 36 HZ2 TRP 36 8.133 -29.779 -14.756 272 HZ3 TRP 36 HZ3 TRP 36 7.746 -25.886 -13.055 273 HH2 TRP 36 HH2 TRP 36 8.514 -27.355 -14.847 Start of MODEL 10 1 H SER 1 H SER 1 -3.734 -1.795 -2.478 2 HA SER 1 HA SER 1 -4.038 -4.411 -3.747 3 HB2 SER 1 HB2 SER 1 -4.252 -2.345 -5.381 4 HB3 SER 1 HB3 SER 1 -2.494 -2.334 -5.247 5 HG SER 1 HG SER 1 -4.155 -4.440 -6.160 6 H GLU 2 H GLU 2 -2.065 -5.559 -4.018 7 HA GLU 2 HA GLU 2 0.055 -4.607 -2.220 8 HB2 GLU 2 HB2 GLU 2 -0.841 -7.352 -3.052 9 HB3 GLU 2 HB3 GLU 2 0.754 -7.093 -2.361 10 HG2 GLU 2 HG2 GLU 2 -0.194 -6.261 -0.326 11 HG3 GLU 2 HG3 GLU 2 -1.815 -6.296 -1.017 12 H ASP 3 H ASP 3 1.929 -3.983 -3.051 13 HA ASP 3 HA ASP 3 2.445 -4.362 -5.878 14 HB2 ASP 3 HB2 ASP 3 3.802 -2.768 -3.710 15 HB3 ASP 3 HB3 ASP 3 4.503 -2.940 -5.317 16 H CYS 4 H CYS 4 2.994 -6.491 -6.177 17 HA CYS 4 HA CYS 4 5.563 -7.307 -5.005 18 HB2 CYS 4 HB2 CYS 4 4.661 -9.666 -4.963 19 HB3 CYS 4 HB3 CYS 4 3.960 -8.572 -3.775 20 H LEU 5 H LEU 5 6.794 -8.783 -6.288 21 HA LEU 5 HA LEU 5 6.823 -8.186 -9.022 22 HB2 LEU 5 HB2 LEU 5 8.174 -10.186 -7.286 23 HB3 LEU 5 HB3 LEU 5 8.265 -10.401 -9.032 24 HG LEU 5 HG LEU 5 9.065 -7.809 -7.751 25 HD11 LEU 5 HD11 LEU 5 10.257 -9.796 -6.707 26 HD12 LEU 5 HD12 LEU 5 11.270 -8.546 -7.428 27 HD13 LEU 5 HD13 LEU 5 10.983 -10.056 -8.293 28 HD21 LEU 5 HD21 LEU 5 8.915 -8.799 -10.391 29 HD22 LEU 5 HD22 LEU 5 10.625 -8.647 -9.988 30 HD23 LEU 5 HD23 LEU 5 9.557 -7.251 -9.840 31 H GLY 6 H GLY 6 6.958 -10.167 -10.658 32 HA2 GLY 6 HA2 GLY 6 4.339 -11.503 -10.450 33 HA3 GLY 6 HA3 GLY 6 5.158 -11.114 -11.955 34 H TRP 7 H TRP 7 4.454 -13.492 -12.176 35 HA TRP 7 HA TRP 7 6.068 -15.439 -10.820 36 HB2 TRP 7 HB2 TRP 7 4.983 -17.064 -12.274 37 HB3 TRP 7 HB3 TRP 7 3.786 -15.947 -11.626 38 HD1 TRP 7 HD1 TRP 7 5.578 -16.836 -14.902 39 HE1 TRP 7 HE1 TRP 7 4.221 -15.866 -16.862 40 HE3 TRP 7 HE3 TRP 7 2.133 -14.146 -12.250 41 HZ2 TRP 7 HZ2 TRP 7 1.986 -14.182 -17.234 42 HZ3 TRP 7 HZ3 TRP 7 0.420 -12.883 -13.484 43 HH2 TRP 7 HH2 TRP 7 0.349 -12.901 -15.924 44 H ALA 8 H ALA 8 6.200 -13.726 -13.871 45 HA ALA 8 HA ALA 8 8.501 -15.304 -14.744 46 HB1 ALA 8 HB1 ALA 8 8.213 -14.371 -16.880 47 HB2 ALA 8 HB2 ALA 8 6.579 -14.673 -16.287 48 HB3 ALA 8 HB3 ALA 8 7.240 -13.037 -16.258 49 H SER 9 H SER 9 8.646 -13.472 -12.449 50 HA SER 9 HA SER 9 10.502 -11.441 -13.487 51 HB2 SER 9 HB2 SER 9 9.058 -11.608 -10.831 52 HB3 SER 9 HB3 SER 9 10.220 -10.353 -11.259 53 HG SER 9 HG SER 9 8.713 -9.382 -12.342 54 H ARG 10 H ARG 10 12.475 -11.041 -12.279 55 HA ARG 10 HA ARG 10 13.712 -13.536 -11.465 56 HB2 ARG 10 HB2 ARG 10 15.805 -12.334 -11.573 57 HB3 ARG 10 HB3 ARG 10 14.862 -11.975 -13.014 58 HG2 ARG 10 HG2 ARG 10 15.550 -9.879 -12.504 59 HG3 ARG 10 HG3 ARG 10 14.075 -9.923 -11.535 60 HD2 ARG 10 HD2 ARG 10 15.232 -10.179 -9.549 61 HD3 ARG 10 HD3 ARG 10 16.660 -10.835 -10.348 62 HE ARG 10 HE ARG 10 16.085 -8.081 -9.837 63 HH11 ARG 10 HH11 ARG 10 17.731 -10.272 -11.984 64 HH12 ARG 10 HH12 ARG 10 18.896 -9.097 -12.500 65 HH21 ARG 10 HH21 ARG 10 17.613 -6.526 -10.508 66 HH22 ARG 10 HH22 ARG 10 18.828 -6.968 -11.659 67 H CYS 11 H CYS 11 14.995 -13.709 -9.514 68 HA CYS 11 HA CYS 11 14.835 -11.838 -7.403 69 HB2 CYS 11 HB2 CYS 11 13.264 -12.870 -5.926 70 HB3 CYS 11 HB3 CYS 11 12.451 -12.652 -7.472 71 H SER 12 H SER 12 15.540 -12.871 -5.276 72 HA SER 12 HA SER 12 17.372 -15.112 -5.835 73 HB2 SER 12 HB2 SER 12 17.843 -12.495 -4.491 74 HB3 SER 12 HB3 SER 12 18.674 -13.906 -3.838 75 HG SER 12 HG SER 12 19.710 -14.191 -5.750 76 HA PRO 13 HA PRO 13 15.728 -17.283 -2.397 77 HB2 PRO 13 HB2 PRO 13 17.939 -18.427 -1.314 78 HB3 PRO 13 HB3 PRO 13 17.240 -18.953 -2.850 79 HG2 PRO 13 HG2 PRO 13 19.578 -17.151 -2.352 80 HG3 PRO 13 HG3 PRO 13 19.405 -18.457 -3.539 81 HD2 PRO 13 HD2 PRO 13 19.119 -15.846 -4.194 82 HD3 PRO 13 HD3 PRO 13 18.210 -17.138 -5.003 83 H LYS 14 H LYS 14 18.280 -14.980 -1.812 84 HA LYS 14 HA LYS 14 17.856 -14.976 1.061 85 HB2 LYS 14 HB2 LYS 14 19.614 -13.280 1.115 86 HB3 LYS 14 HB3 LYS 14 20.124 -14.679 0.178 87 HG2 LYS 14 HG2 LYS 14 19.285 -13.305 -1.855 88 HG3 LYS 14 HG3 LYS 14 19.421 -11.932 -0.757 89 HD2 LYS 14 HD2 LYS 14 21.795 -12.872 -0.286 90 HD3 LYS 14 HD3 LYS 14 21.565 -13.740 -1.805 91 HE2 LYS 14 HE2 LYS 14 20.991 -10.818 -1.722 92 HE3 LYS 14 HE3 LYS 14 22.672 -11.349 -1.745 93 HZ1 LYS 14 HZ1 LYS 14 22.198 -12.605 -3.764 94 HZ2 LYS 14 HZ2 LYS 14 21.861 -10.961 -3.976 95 HZ3 LYS 14 HZ3 LYS 14 20.596 -12.060 -3.748 96 H ASN 15 H ASN 15 17.075 -13.013 -1.744 97 HA ASN 15 HA ASN 15 15.333 -11.378 -0.027 98 HB2 ASN 15 HB2 ASN 15 17.182 -10.468 -2.226 99 HB3 ASN 15 HB3 ASN 15 15.806 -9.497 -1.712 100 HD21 ASN 15 HD21 ASN 15 18.733 -9.059 -1.545 101 HD22 ASN 15 HD22 ASN 15 19.045 -8.720 0.120 102 H ASP 16 H ASP 16 13.867 -13.174 -0.785 103 HA ASP 16 HA ASP 16 12.929 -12.836 -3.534 104 HB2 ASP 16 HB2 ASP 16 13.158 -15.119 -2.989 105 HB3 ASP 16 HB3 ASP 16 12.417 -14.903 -1.406 106 H LYS 17 H LYS 17 11.543 -11.211 -3.801 107 HA LYS 17 HA LYS 17 9.392 -10.879 -1.812 108 HB2 LYS 17 HB2 LYS 17 10.425 -8.699 -3.620 109 HB3 LYS 17 HB3 LYS 17 9.373 -8.534 -2.219 110 HG2 LYS 17 HG2 LYS 17 11.316 -7.869 -1.270 111 HG3 LYS 17 HG3 LYS 17 11.477 -9.606 -1.001 112 HD2 LYS 17 HD2 LYS 17 13.516 -9.189 -1.936 113 HD3 LYS 17 HD3 LYS 17 12.590 -9.496 -3.407 114 HE2 LYS 17 HE2 LYS 17 13.857 -7.522 -3.782 115 HE3 LYS 17 HE3 LYS 17 12.183 -7.022 -3.546 116 HZ1 LYS 17 HZ1 LYS 17 13.466 -7.054 -1.054 117 HZ2 LYS 17 HZ2 LYS 17 12.835 -5.727 -1.892 118 HZ3 LYS 17 HZ3 LYS 17 14.445 -6.192 -2.132 119 H CYS 18 H CYS 18 8.717 -12.708 -3.491 120 HA CYS 18 HA CYS 18 7.253 -11.417 -5.694 121 HB2 CYS 18 HB2 CYS 18 8.513 -14.095 -5.377 122 HB3 CYS 18 HB3 CYS 18 7.045 -13.997 -6.343 123 H CYS 19 H CYS 19 5.089 -12.151 -6.141 124 HA CYS 19 HA CYS 19 3.385 -12.131 -3.970 125 HB2 CYS 19 HB2 CYS 19 3.112 -12.869 -6.835 126 HB3 CYS 19 HB3 CYS 19 1.824 -13.390 -5.753 127 HA PRO 20 HA PRO 20 3.244 -16.158 -2.238 128 HB2 PRO 20 HB2 PRO 20 0.599 -16.485 -1.721 129 HB3 PRO 20 HB3 PRO 20 1.629 -15.382 -0.800 130 HG2 PRO 20 HG2 PRO 20 -0.262 -14.780 -3.041 131 HG3 PRO 20 HG3 PRO 20 -0.009 -13.897 -1.524 132 HD2 PRO 20 HD2 PRO 20 1.069 -13.093 -3.874 133 HD3 PRO 20 HD3 PRO 20 1.874 -12.828 -2.314 134 H ASN 21 H ASN 21 1.929 -18.299 -2.359 135 HA ASN 21 HA ASN 21 1.304 -20.119 -3.572 136 HB2 ASN 21 HB2 ASN 21 -0.562 -18.429 -4.193 137 HB3 ASN 21 HB3 ASN 21 0.276 -18.303 -5.736 138 HD21 ASN 21 HD21 ASN 21 -1.444 -20.442 -3.576 139 HD22 ASN 21 HD22 ASN 21 -1.836 -21.638 -4.759 140 H TYR 22 H TYR 22 3.900 -18.756 -4.008 141 HA TYR 22 HA TYR 22 4.566 -20.075 -6.542 142 HB2 TYR 22 HB2 TYR 22 5.330 -17.268 -5.736 143 HB3 TYR 22 HB3 TYR 22 6.177 -18.164 -6.992 144 HD1 TYR 22 HD1 TYR 22 4.070 -19.480 -8.468 145 HD2 TYR 22 HD2 TYR 22 4.115 -15.585 -6.756 146 HE1 TYR 22 HE1 TYR 22 2.406 -18.740 -10.122 147 HE2 TYR 22 HE2 TYR 22 2.450 -14.835 -8.403 148 HH TYR 22 HH TYR 22 1.142 -17.068 -10.840 149 H LYS 23 H LYS 23 7.133 -19.971 -6.739 150 HA LYS 23 HA LYS 23 8.425 -20.340 -4.157 151 HB2 LYS 23 HB2 LYS 23 7.351 -22.547 -5.131 152 HB3 LYS 23 HB3 LYS 23 8.784 -22.539 -6.149 153 HG2 LYS 23 HG2 LYS 23 9.323 -23.884 -4.306 154 HG3 LYS 23 HG3 LYS 23 10.133 -22.343 -4.015 155 HD2 LYS 23 HD2 LYS 23 8.198 -21.680 -2.584 156 HD3 LYS 23 HD3 LYS 23 7.558 -23.313 -2.778 157 HE2 LYS 23 HE2 LYS 23 9.880 -24.064 -1.921 158 HE3 LYS 23 HE3 LYS 23 10.028 -22.405 -1.346 159 HZ1 LYS 23 HZ1 LYS 23 7.874 -24.315 -0.616 160 HZ2 LYS 23 HZ2 LYS 23 7.975 -22.712 -0.088 161 HZ3 LYS 23 HZ3 LYS 23 9.154 -23.831 0.379 162 H CYS 24 H CYS 24 10.071 -18.965 -4.378 163 HA CYS 24 HA CYS 24 11.248 -18.132 -6.755 164 HB2 CYS 24 HB2 CYS 24 11.438 -17.189 -4.329 165 HB3 CYS 24 HB3 CYS 24 12.832 -18.258 -4.209 166 H SER 25 H SER 25 12.411 -19.217 -8.186 167 HA SER 25 HA SER 25 13.735 -21.692 -7.403 168 HB2 SER 25 HB2 SER 25 12.367 -21.783 -9.406 169 HB3 SER 25 HB3 SER 25 13.264 -20.444 -10.120 170 HG SER 25 HG SER 25 14.314 -22.997 -9.454 171 H SER 26 H SER 26 15.741 -21.543 -6.660 172 HA SER 26 HA SER 26 17.439 -19.315 -7.152 173 HB2 SER 26 HB2 SER 26 18.360 -21.995 -6.119 174 HB3 SER 26 HB3 SER 26 19.021 -20.400 -5.760 175 HG SER 26 HG SER 26 17.676 -21.303 -4.078 176 H LYS 27 H LYS 27 16.760 -22.143 -8.905 177 HA LYS 27 HA LYS 27 19.242 -22.611 -10.157 178 HB2 LYS 27 HB2 LYS 27 16.399 -23.288 -10.785 179 HB3 LYS 27 HB3 LYS 27 17.625 -23.536 -12.021 180 HG2 LYS 27 HG2 LYS 27 17.565 -25.592 -11.004 181 HG3 LYS 27 HG3 LYS 27 18.884 -24.808 -10.132 182 HD2 LYS 27 HD2 LYS 27 17.091 -24.091 -8.447 183 HD3 LYS 27 HD3 LYS 27 16.061 -25.295 -9.228 184 HE2 LYS 27 HE2 LYS 27 17.063 -26.377 -7.379 185 HE3 LYS 27 HE3 LYS 27 17.907 -26.964 -8.812 186 HZ1 LYS 27 HZ1 LYS 27 19.777 -26.350 -7.822 187 HZ2 LYS 27 HZ2 LYS 27 18.949 -25.579 -6.565 188 HZ3 LYS 27 HZ3 LYS 27 19.300 -24.736 -7.989 189 H ASP 28 H ASP 28 16.358 -20.946 -11.441 190 HA ASP 28 HA ASP 28 18.111 -19.539 -13.334 191 HB2 ASP 28 HB2 ASP 28 15.406 -20.628 -13.498 192 HB3 ASP 28 HB3 ASP 28 15.509 -18.968 -14.079 193 H LEU 29 H LEU 29 17.193 -19.001 -10.376 194 HA LEU 29 HA LEU 29 16.697 -17.202 -9.069 195 HB2 LEU 29 HB2 LEU 29 17.928 -15.752 -11.407 196 HB3 LEU 29 HB3 LEU 29 17.655 -15.058 -9.810 197 HG LEU 29 HG LEU 29 19.471 -17.406 -10.345 198 HD11 LEU 29 HD11 LEU 29 20.390 -15.507 -11.479 199 HD12 LEU 29 HD12 LEU 29 21.299 -15.760 -9.990 200 HD13 LEU 29 HD13 LEU 29 20.099 -14.471 -10.082 201 HD21 LEU 29 HD21 LEU 29 18.682 -17.380 -8.085 202 HD22 LEU 29 HD22 LEU 29 19.011 -15.653 -7.937 203 HD23 LEU 29 HD23 LEU 29 20.346 -16.796 -8.096 204 H TRP 30 H TRP 30 14.535 -18.104 -10.600 205 HA TRP 30 HA TRP 30 13.050 -15.590 -10.926 206 HB2 TRP 30 HB2 TRP 30 12.011 -16.298 -12.928 207 HB3 TRP 30 HB3 TRP 30 13.721 -16.656 -13.147 208 HD1 TRP 30 HD1 TRP 30 14.125 -19.422 -11.972 209 HE1 TRP 30 HE1 TRP 30 12.898 -21.501 -12.866 210 HE3 TRP 30 HE3 TRP 30 10.166 -17.115 -14.238 211 HZ2 TRP 30 HZ2 TRP 30 10.562 -22.085 -14.339 212 HZ3 TRP 30 HZ3 TRP 30 8.480 -18.506 -15.369 213 HH2 TRP 30 HH2 TRP 30 8.675 -20.939 -15.417 214 H CYS 31 H CYS 31 10.823 -15.703 -10.447 215 HA CYS 31 HA CYS 31 10.161 -17.501 -8.354 216 HB2 CYS 31 HB2 CYS 31 8.230 -15.768 -9.899 217 HB3 CYS 31 HB3 CYS 31 8.059 -16.360 -8.249 218 H LYS 32 H LYS 32 9.697 -19.574 -8.644 219 HA LYS 32 HA LYS 32 8.456 -20.457 -11.136 220 HB2 LYS 32 HB2 LYS 32 10.093 -21.720 -9.023 221 HB3 LYS 32 HB3 LYS 32 8.850 -22.741 -9.733 222 HG2 LYS 32 HG2 LYS 32 9.824 -21.979 -11.993 223 HG3 LYS 32 HG3 LYS 32 11.224 -21.477 -11.042 224 HD2 LYS 32 HD2 LYS 32 11.726 -23.654 -10.402 225 HD3 LYS 32 HD3 LYS 32 10.092 -24.233 -10.736 226 HE2 LYS 32 HE2 LYS 32 10.576 -23.726 -13.177 227 HE3 LYS 32 HE3 LYS 32 12.262 -23.535 -12.699 228 HZ1 LYS 32 HZ1 LYS 32 12.037 -25.836 -11.707 229 HZ2 LYS 32 HZ2 LYS 32 12.056 -25.743 -13.395 230 HZ3 LYS 32 HZ3 LYS 32 10.594 -25.974 -12.578 231 H TYR 33 H TYR 33 6.919 -22.460 -10.712 232 HA TYR 33 HA TYR 33 4.696 -21.388 -9.193 233 HB2 TYR 33 HB2 TYR 33 4.693 -22.573 -11.555 234 HB3 TYR 33 HB3 TYR 33 4.567 -24.032 -10.580 235 HD1 TYR 33 HD1 TYR 33 3.032 -20.626 -10.361 236 HD2 TYR 33 HD2 TYR 33 2.409 -24.830 -10.553 237 HE1 TYR 33 HE1 TYR 33 0.608 -20.270 -10.151 238 HE2 TYR 33 HE2 TYR 33 -0.018 -24.485 -10.346 239 HH TYR 33 HH TYR 33 -1.596 -22.893 -9.635 240 H LYS 34 H LYS 34 3.624 -22.448 -7.515 241 HA LYS 34 HA LYS 34 5.323 -24.009 -5.803 242 HB2 LYS 34 HB2 LYS 34 2.964 -22.411 -5.520 243 HB3 LYS 34 HB3 LYS 34 2.659 -23.996 -4.820 244 HG2 LYS 34 HG2 LYS 34 5.078 -23.495 -3.770 245 HG3 LYS 34 HG3 LYS 34 4.469 -21.847 -3.935 246 HD2 LYS 34 HD2 LYS 34 3.453 -22.206 -1.974 247 HD3 LYS 34 HD3 LYS 34 2.310 -23.189 -2.892 248 HE2 LYS 34 HE2 LYS 34 3.217 -25.157 -2.175 249 HE3 LYS 34 HE3 LYS 34 4.831 -24.473 -1.990 250 HZ1 LYS 34 HZ1 LYS 34 3.789 -25.021 0.142 251 HZ2 LYS 34 HZ2 LYS 34 2.540 -23.927 -0.181 252 HZ3 LYS 34 HZ3 LYS 34 4.124 -23.368 0.014 253 H ILE 35 H ILE 35 2.782 -24.647 -8.066 254 HA ILE 35 HA ILE 35 2.462 -27.390 -7.102 255 HB ILE 35 HB ILE 35 1.008 -26.016 -9.363 256 HG12 ILE 35 HG12 ILE 35 0.578 -24.895 -7.219 257 HG13 ILE 35 HG13 ILE 35 -0.851 -25.754 -7.784 258 HG21 ILE 35 HG21 ILE 35 -0.626 -27.981 -8.473 259 HG22 ILE 35 HG22 ILE 35 0.495 -28.157 -9.822 260 HG23 ILE 35 HG23 ILE 35 0.953 -28.721 -8.215 261 HD11 ILE 35 HD11 ILE 35 1.042 -26.590 -5.605 262 HD12 ILE 35 HD12 ILE 35 -0.649 -26.112 -5.445 263 HD13 ILE 35 HD13 ILE 35 -0.231 -27.622 -6.254 264 H TRP 36 H TRP 36 3.273 -29.126 -8.122 265 HA TRP 36 HA TRP 36 5.271 -28.781 -10.112 266 HB2 TRP 36 HB2 TRP 36 3.961 -31.228 -8.928 267 HB3 TRP 36 HB3 TRP 36 5.220 -31.328 -10.155 268 HD1 TRP 36 HD1 TRP 36 4.699 -30.160 -6.519 269 HE1 TRP 36 HE1 TRP 36 6.985 -30.169 -5.335 270 HE3 TRP 36 HE3 TRP 36 7.683 -31.260 -10.522 271 HZ2 TRP 36 HZ2 TRP 36 9.695 -30.587 -6.010 272 HZ3 TRP 36 HZ3 TRP 36 10.111 -31.446 -10.168 273 HH2 TRP 36 HH2 TRP 36 11.094 -31.116 -7.958 Start of MODEL 11 1 H SER 1 H SER 1 1.664 0.861 -0.384 2 HA SER 1 HA SER 1 -0.305 -1.201 -1.132 3 HB2 SER 1 HB2 SER 1 -0.683 0.534 -2.671 4 HB3 SER 1 HB3 SER 1 1.034 0.914 -2.803 5 HG SER 1 HG SER 1 1.336 -0.830 -4.077 6 H GLU 2 H GLU 2 0.528 -3.170 -1.207 7 HA GLU 2 HA GLU 2 3.421 -3.499 -1.424 8 HB2 GLU 2 HB2 GLU 2 2.227 -4.649 0.403 9 HB3 GLU 2 HB3 GLU 2 1.276 -5.530 -0.784 10 HG2 GLU 2 HG2 GLU 2 3.012 -6.889 -1.381 11 HG3 GLU 2 HG3 GLU 2 4.238 -5.707 -0.927 12 H ASP 3 H ASP 3 3.701 -3.095 -3.638 13 HA ASP 3 HA ASP 3 2.250 -4.588 -5.617 14 HB2 ASP 3 HB2 ASP 3 4.567 -2.675 -5.699 15 HB3 ASP 3 HB3 ASP 3 4.110 -3.597 -7.130 16 H CYS 4 H CYS 4 2.591 -6.762 -5.233 17 HA CYS 4 HA CYS 4 5.176 -7.892 -4.844 18 HB2 CYS 4 HB2 CYS 4 4.086 -10.020 -4.937 19 HB3 CYS 4 HB3 CYS 4 3.001 -8.919 -4.094 20 H LEU 5 H LEU 5 6.137 -9.520 -6.309 21 HA LEU 5 HA LEU 5 6.299 -8.440 -8.990 22 HB2 LEU 5 HB2 LEU 5 7.822 -10.494 -7.437 23 HB3 LEU 5 HB3 LEU 5 8.005 -10.387 -9.187 24 HG LEU 5 HG LEU 5 8.485 -8.044 -7.360 25 HD11 LEU 5 HD11 LEU 5 10.003 -9.755 -6.642 26 HD12 LEU 5 HD12 LEU 5 10.896 -8.582 -7.611 27 HD13 LEU 5 HD13 LEU 5 10.437 -10.135 -8.309 28 HD21 LEU 5 HD21 LEU 5 8.614 -6.990 -9.316 29 HD22 LEU 5 HD22 LEU 5 8.528 -8.503 -10.217 30 HD23 LEU 5 HD23 LEU 5 10.083 -7.915 -9.627 31 H GLY 6 H GLY 6 6.671 -10.318 -10.730 32 HA2 GLY 6 HA2 GLY 6 4.163 -11.855 -10.693 33 HA3 GLY 6 HA3 GLY 6 5.057 -11.393 -12.134 34 H TRP 7 H TRP 7 4.446 -13.840 -12.337 35 HA TRP 7 HA TRP 7 6.186 -15.657 -10.944 36 HB2 TRP 7 HB2 TRP 7 5.159 -17.386 -12.265 37 HB3 TRP 7 HB3 TRP 7 3.897 -16.269 -11.752 38 HD1 TRP 7 HD1 TRP 7 5.847 -17.340 -14.881 39 HE1 TRP 7 HE1 TRP 7 4.528 -16.587 -16.960 40 HE3 TRP 7 HE3 TRP 7 2.198 -14.600 -12.578 41 HZ2 TRP 7 HZ2 TRP 7 2.243 -15.036 -17.545 42 HZ3 TRP 7 HZ3 TRP 7 0.483 -13.513 -13.970 43 HH2 TRP 7 HH2 TRP 7 0.508 -13.728 -16.401 44 H ALA 8 H ALA 8 6.151 -14.034 -14.051 45 HA ALA 8 HA ALA 8 8.542 -15.476 -14.915 46 HB1 ALA 8 HB1 ALA 8 8.216 -14.294 -17.053 47 HB2 ALA 8 HB2 ALA 8 6.792 -15.214 -16.565 48 HB3 ALA 8 HB3 ALA 8 6.822 -13.463 -16.361 49 H SER 9 H SER 9 8.792 -13.741 -12.667 50 HA SER 9 HA SER 9 10.445 -11.576 -13.791 51 HB2 SER 9 HB2 SER 9 8.776 -11.736 -11.302 52 HB3 SER 9 HB3 SER 9 10.159 -10.644 -11.362 53 HG SER 9 HG SER 9 7.782 -10.596 -12.856 54 H ARG 10 H ARG 10 12.274 -10.926 -12.277 55 HA ARG 10 HA ARG 10 13.734 -13.352 -11.573 56 HB2 ARG 10 HB2 ARG 10 15.712 -12.048 -11.679 57 HB3 ARG 10 HB3 ARG 10 14.720 -11.539 -13.038 58 HG2 ARG 10 HG2 ARG 10 15.315 -9.495 -12.285 59 HG3 ARG 10 HG3 ARG 10 13.907 -9.741 -11.251 60 HD2 ARG 10 HD2 ARG 10 15.746 -10.899 -9.710 61 HD3 ARG 10 HD3 ARG 10 16.795 -9.780 -10.580 62 HE ARG 10 HE ARG 10 14.495 -8.448 -9.590 63 HH11 ARG 10 HH11 ARG 10 17.556 -9.779 -8.599 64 HH12 ARG 10 HH12 ARG 10 17.731 -8.711 -7.246 65 HH21 ARG 10 HH21 ARG 10 14.714 -7.035 -7.813 66 HH22 ARG 10 HH22 ARG 10 16.113 -7.150 -6.800 67 H CYS 11 H CYS 11 14.881 -13.549 -9.576 68 HA CYS 11 HA CYS 11 14.489 -11.738 -7.418 69 HB2 CYS 11 HB2 CYS 11 12.995 -12.992 -6.036 70 HB3 CYS 11 HB3 CYS 11 12.216 -12.811 -7.604 71 H SER 12 H SER 12 15.113 -12.912 -5.263 72 HA SER 12 HA SER 12 17.168 -14.943 -5.800 73 HB2 SER 12 HB2 SER 12 17.515 -12.250 -4.572 74 HB3 SER 12 HB3 SER 12 18.437 -13.587 -3.884 75 HG SER 12 HG SER 12 19.089 -12.208 -5.966 76 HA PRO 13 HA PRO 13 15.698 -17.047 -2.244 77 HB2 PRO 13 HB2 PRO 13 17.985 -18.022 -1.152 78 HB3 PRO 13 HB3 PRO 13 17.291 -18.652 -2.651 79 HG2 PRO 13 HG2 PRO 13 19.535 -16.707 -2.273 80 HG3 PRO 13 HG3 PRO 13 19.414 -18.072 -3.400 81 HD2 PRO 13 HD2 PRO 13 18.977 -15.510 -4.161 82 HD3 PRO 13 HD3 PRO 13 18.127 -16.883 -4.897 83 H LYS 14 H LYS 14 18.096 -14.562 -1.816 84 HA LYS 14 HA LYS 14 17.707 -14.458 1.065 85 HB2 LYS 14 HB2 LYS 14 19.385 -12.659 1.007 86 HB3 LYS 14 HB3 LYS 14 19.961 -14.115 0.206 87 HG2 LYS 14 HG2 LYS 14 19.412 -13.113 -1.970 88 HG3 LYS 14 HG3 LYS 14 18.900 -11.640 -1.143 89 HD2 LYS 14 HD2 LYS 14 21.137 -11.313 -0.273 90 HD3 LYS 14 HD3 LYS 14 21.665 -12.839 -0.986 91 HE2 LYS 14 HE2 LYS 14 20.657 -10.444 -2.519 92 HE3 LYS 14 HE3 LYS 14 22.351 -10.893 -2.326 93 HZ1 LYS 14 HZ1 LYS 14 20.242 -12.274 -3.857 94 HZ2 LYS 14 HZ2 LYS 14 21.624 -13.106 -3.348 95 HZ3 LYS 14 HZ3 LYS 14 21.772 -11.771 -4.375 96 H ASN 15 H ASN 15 16.767 -12.733 -1.828 97 HA ASN 15 HA ASN 15 15.016 -11.042 -0.177 98 HB2 ASN 15 HB2 ASN 15 16.611 -10.170 -2.595 99 HB3 ASN 15 HB3 ASN 15 15.377 -9.193 -1.807 100 HD21 ASN 15 HD21 ASN 15 15.808 -9.404 0.777 101 HD22 ASN 15 HD22 ASN 15 17.396 -8.882 1.212 102 H ASP 16 H ASP 16 13.635 -12.975 -0.792 103 HA ASP 16 HA ASP 16 12.609 -12.853 -3.523 104 HB2 ASP 16 HB2 ASP 16 12.989 -15.079 -2.765 105 HB3 ASP 16 HB3 ASP 16 12.157 -14.776 -1.243 106 H LYS 17 H LYS 17 11.174 -11.277 -3.847 107 HA LYS 17 HA LYS 17 9.018 -10.945 -1.865 108 HB2 LYS 17 HB2 LYS 17 9.992 -8.776 -3.718 109 HB3 LYS 17 HB3 LYS 17 8.931 -8.612 -2.324 110 HG2 LYS 17 HG2 LYS 17 10.849 -7.864 -1.389 111 HG3 LYS 17 HG3 LYS 17 11.057 -9.588 -1.072 112 HD2 LYS 17 HD2 LYS 17 13.090 -9.135 -2.006 113 HD3 LYS 17 HD3 LYS 17 12.181 -9.513 -3.472 114 HE2 LYS 17 HE2 LYS 17 11.771 -7.128 -3.829 115 HE3 LYS 17 HE3 LYS 17 12.669 -6.751 -2.360 116 HZ1 LYS 17 HZ1 LYS 17 14.668 -7.429 -3.326 117 HZ2 LYS 17 HZ2 LYS 17 13.898 -6.556 -4.552 118 HZ3 LYS 17 HZ3 LYS 17 13.901 -8.247 -4.594 119 H CYS 18 H CYS 18 8.431 -12.836 -3.524 120 HA CYS 18 HA CYS 18 6.930 -11.638 -5.754 121 HB2 CYS 18 HB2 CYS 18 8.155 -14.347 -5.349 122 HB3 CYS 18 HB3 CYS 18 6.819 -14.143 -6.478 123 H CYS 19 H CYS 19 4.795 -12.456 -6.196 124 HA CYS 19 HA CYS 19 3.080 -12.457 -4.035 125 HB2 CYS 19 HB2 CYS 19 2.850 -13.248 -6.888 126 HB3 CYS 19 HB3 CYS 19 1.579 -13.810 -5.807 127 HA PRO 20 HA PRO 20 3.070 -16.452 -2.228 128 HB2 PRO 20 HB2 PRO 20 0.434 -16.863 -1.721 129 HB3 PRO 20 HB3 PRO 20 1.418 -15.708 -0.815 130 HG2 PRO 20 HG2 PRO 20 -0.478 -15.216 -3.078 131 HG3 PRO 20 HG3 PRO 20 -0.266 -14.297 -1.576 132 HD2 PRO 20 HD2 PRO 20 0.798 -13.499 -3.935 133 HD3 PRO 20 HD3 PRO 20 1.582 -13.176 -2.376 134 H ASN 21 H ASN 21 1.873 -18.649 -2.323 135 HA ASN 21 HA ASN 21 1.329 -20.513 -3.505 136 HB2 ASN 21 HB2 ASN 21 0.201 -18.811 -5.707 137 HB3 ASN 21 HB3 ASN 21 -0.365 -20.368 -5.109 138 HD21 ASN 21 HD21 ASN 21 -1.204 -17.284 -5.294 139 HD22 ASN 21 HD22 ASN 21 -2.127 -17.108 -3.844 140 H TYR 22 H TYR 22 3.847 -19.008 -3.993 141 HA TYR 22 HA TYR 22 4.542 -20.301 -6.538 142 HB2 TYR 22 HB2 TYR 22 5.138 -17.477 -5.689 143 HB3 TYR 22 HB3 TYR 22 6.158 -18.311 -6.856 144 HD1 TYR 22 HD1 TYR 22 4.291 -19.774 -8.510 145 HD2 TYR 22 HD2 TYR 22 3.911 -15.883 -6.831 146 HE1 TYR 22 HE1 TYR 22 2.738 -19.153 -10.313 147 HE2 TYR 22 HE2 TYR 22 2.356 -15.251 -8.628 148 HH TYR 22 HH TYR 22 1.134 -15.999 -10.353 149 H LYS 23 H LYS 23 7.133 -20.041 -6.720 150 HA LYS 23 HA LYS 23 8.437 -20.458 -4.161 151 HB2 LYS 23 HB2 LYS 23 7.429 -22.681 -4.991 152 HB3 LYS 23 HB3 LYS 23 8.676 -22.632 -6.229 153 HG2 LYS 23 HG2 LYS 23 9.552 -23.971 -4.522 154 HG3 LYS 23 HG3 LYS 23 10.345 -22.406 -4.331 155 HD2 LYS 23 HD2 LYS 23 8.527 -21.862 -2.640 156 HD3 LYS 23 HD3 LYS 23 8.108 -23.575 -2.694 157 HE2 LYS 23 HE2 LYS 23 10.704 -23.853 -2.281 158 HE3 LYS 23 HE3 LYS 23 10.531 -22.236 -1.601 159 HZ1 LYS 23 HZ1 LYS 23 8.709 -24.404 -0.782 160 HZ2 LYS 23 HZ2 LYS 23 9.123 -22.990 0.051 161 HZ3 LYS 23 HZ3 LYS 23 10.237 -24.258 -0.070 162 H CYS 24 H CYS 24 10.053 -19.047 -4.381 163 HA CYS 24 HA CYS 24 11.203 -18.214 -6.790 164 HB2 CYS 24 HB2 CYS 24 11.310 -17.103 -4.478 165 HB3 CYS 24 HB3 CYS 24 12.660 -18.185 -4.154 166 H SER 25 H SER 25 12.453 -19.282 -8.159 167 HA SER 25 HA SER 25 13.847 -21.683 -7.278 168 HB2 SER 25 HB2 SER 25 12.561 -21.875 -9.324 169 HB3 SER 25 HB3 SER 25 13.414 -20.504 -10.032 170 HG SER 25 HG SER 25 14.148 -23.120 -9.896 171 H SER 26 H SER 26 15.831 -21.470 -6.497 172 HA SER 26 HA SER 26 17.459 -19.184 -6.948 173 HB2 SER 26 HB2 SER 26 18.458 -21.822 -5.885 174 HB3 SER 26 HB3 SER 26 19.035 -20.199 -5.505 175 HG SER 26 HG SER 26 17.571 -21.348 -3.944 176 H LYS 27 H LYS 27 16.926 -22.029 -8.717 177 HA LYS 27 HA LYS 27 19.459 -22.414 -9.896 178 HB2 LYS 27 HB2 LYS 27 16.663 -23.211 -10.566 179 HB3 LYS 27 HB3 LYS 27 17.897 -23.378 -11.809 180 HG2 LYS 27 HG2 LYS 27 17.579 -25.451 -10.571 181 HG3 LYS 27 HG3 LYS 27 19.206 -24.808 -10.344 182 HD2 LYS 27 HD2 LYS 27 18.724 -24.072 -8.161 183 HD3 LYS 27 HD3 LYS 27 16.984 -24.241 -8.402 184 HE2 LYS 27 HE2 LYS 27 17.451 -26.733 -8.715 185 HE3 LYS 27 HE3 LYS 27 19.046 -26.396 -8.044 186 HZ1 LYS 27 HZ1 LYS 27 16.583 -25.585 -6.629 187 HZ2 LYS 27 HZ2 LYS 27 18.141 -25.795 -6.002 188 HZ3 LYS 27 HZ3 LYS 27 17.222 -27.142 -6.454 189 H ASP 28 H ASP 28 16.554 -20.855 -11.264 190 HA ASP 28 HA ASP 28 18.309 -19.389 -13.111 191 HB2 ASP 28 HB2 ASP 28 15.691 -20.619 -13.376 192 HB3 ASP 28 HB3 ASP 28 15.668 -18.934 -13.884 193 H LEU 29 H LEU 29 17.278 -18.883 -10.182 194 HA LEU 29 HA LEU 29 16.679 -17.100 -8.894 195 HB2 LEU 29 HB2 LEU 29 17.926 -15.599 -11.190 196 HB3 LEU 29 HB3 LEU 29 17.598 -14.933 -9.592 197 HG LEU 29 HG LEU 29 19.519 -17.190 -10.156 198 HD11 LEU 29 HD11 LEU 29 20.166 -14.953 -11.103 199 HD12 LEU 29 HD12 LEU 29 21.287 -15.632 -9.924 200 HD13 LEU 29 HD13 LEU 29 20.183 -14.343 -9.447 201 HD21 LEU 29 HD21 LEU 29 20.271 -16.745 -7.853 202 HD22 LEU 29 HD22 LEU 29 18.596 -17.294 -7.921 203 HD23 LEU 29 HD23 LEU 29 18.956 -15.585 -7.665 204 H TRP 30 H TRP 30 14.596 -18.074 -10.478 205 HA TRP 30 HA TRP 30 13.045 -15.610 -10.871 206 HB2 TRP 30 HB2 TRP 30 12.084 -16.371 -12.896 207 HB3 TRP 30 HB3 TRP 30 13.812 -16.668 -13.063 208 HD1 TRP 30 HD1 TRP 30 14.289 -19.408 -11.865 209 HE1 TRP 30 HE1 TRP 30 13.162 -21.537 -12.773 210 HE3 TRP 30 HE3 TRP 30 10.299 -17.266 -14.236 211 HZ2 TRP 30 HZ2 TRP 30 10.884 -22.217 -14.294 212 HZ3 TRP 30 HZ3 TRP 30 8.693 -18.725 -15.395 213 HH2 TRP 30 HH2 TRP 30 8.981 -21.150 -15.423 214 H CYS 31 H CYS 31 10.811 -15.785 -10.451 215 HA CYS 31 HA CYS 31 10.147 -17.613 -8.377 216 HB2 CYS 31 HB2 CYS 31 8.210 -15.899 -9.934 217 HB3 CYS 31 HB3 CYS 31 8.030 -16.504 -8.291 218 H LYS 32 H LYS 32 9.764 -19.695 -8.726 219 HA LYS 32 HA LYS 32 8.622 -20.585 -11.250 220 HB2 LYS 32 HB2 LYS 32 10.059 -21.870 -8.990 221 HB3 LYS 32 HB3 LYS 32 8.923 -22.871 -9.884 222 HG2 LYS 32 HG2 LYS 32 10.121 -22.200 -11.979 223 HG3 LYS 32 HG3 LYS 32 11.339 -21.436 -10.955 224 HD2 LYS 32 HD2 LYS 32 12.184 -23.581 -11.450 225 HD3 LYS 32 HD3 LYS 32 11.565 -23.688 -9.800 226 HE2 LYS 32 HE2 LYS 32 9.806 -25.024 -10.403 227 HE3 LYS 32 HE3 LYS 32 9.730 -24.373 -12.039 228 HZ1 LYS 32 HZ1 LYS 32 10.715 -26.281 -12.600 229 HZ2 LYS 32 HZ2 LYS 32 11.225 -26.615 -11.023 230 HZ3 LYS 32 HZ3 LYS 32 12.136 -25.584 -12.005 231 H TYR 33 H TYR 33 7.005 -22.495 -10.997 232 HA TYR 33 HA TYR 33 4.742 -21.441 -9.516 233 HB2 TYR 33 HB2 TYR 33 5.034 -23.662 -11.537 234 HB3 TYR 33 HB3 TYR 33 3.524 -23.340 -10.693 235 HD1 TYR 33 HD1 TYR 33 5.988 -21.922 -13.056 236 HD2 TYR 33 HD2 TYR 33 2.106 -21.554 -11.353 237 HE1 TYR 33 HE1 TYR 33 5.417 -20.224 -14.740 238 HE2 TYR 33 HE2 TYR 33 1.524 -19.855 -13.033 239 HH TYR 33 HH TYR 33 2.159 -18.880 -14.963 240 H LYS 34 H LYS 34 4.112 -22.154 -7.595 241 HA LYS 34 HA LYS 34 5.498 -24.258 -6.261 242 HB2 LYS 34 HB2 LYS 34 4.211 -22.088 -5.372 243 HB3 LYS 34 HB3 LYS 34 2.909 -23.257 -5.191 244 HG2 LYS 34 HG2 LYS 34 5.563 -24.017 -4.124 245 HG3 LYS 34 HG3 LYS 34 4.670 -22.758 -3.267 246 HD2 LYS 34 HD2 LYS 34 3.215 -25.235 -4.039 247 HD3 LYS 34 HD3 LYS 34 4.357 -25.325 -2.696 248 HE2 LYS 34 HE2 LYS 34 3.174 -23.344 -1.697 249 HE3 LYS 34 HE3 LYS 34 1.950 -23.529 -2.953 250 HZ1 LYS 34 HZ1 LYS 34 2.613 -25.899 -1.385 251 HZ2 LYS 34 HZ2 LYS 34 1.122 -25.392 -2.002 252 HZ3 LYS 34 HZ3 LYS 34 1.742 -24.681 -0.597 253 H ILE 35 H ILE 35 2.580 -24.054 -8.113 254 HA ILE 35 HA ILE 35 1.686 -26.685 -7.204 255 HB ILE 35 HB ILE 35 0.349 -24.814 -9.161 256 HG12 ILE 35 HG12 ILE 35 -1.236 -24.688 -7.019 257 HG13 ILE 35 HG13 ILE 35 0.280 -25.019 -6.188 258 HG21 ILE 35 HG21 ILE 35 -0.211 -27.519 -8.233 259 HG22 ILE 35 HG22 ILE 35 -1.573 -26.417 -8.037 260 HG23 ILE 35 HG23 ILE 35 -0.845 -26.644 -9.627 261 HD11 ILE 35 HD11 ILE 35 -0.603 -22.556 -6.791 262 HD12 ILE 35 HD12 ILE 35 1.101 -22.973 -6.605 263 HD13 ILE 35 HD13 ILE 35 0.384 -22.894 -8.214 264 H TRP 36 H TRP 36 1.775 -28.491 -8.426 265 HA TRP 36 HA TRP 36 3.109 -28.259 -11.037 266 HB2 TRP 36 HB2 TRP 36 3.011 -30.488 -9.008 267 HB3 TRP 36 HB3 TRP 36 3.571 -30.746 -10.658 268 HD1 TRP 36 HD1 TRP 36 4.569 -29.021 -7.393 269 HE1 TRP 36 HE1 TRP 36 7.067 -28.410 -7.514 270 HE3 TRP 36 HE3 TRP 36 5.453 -30.195 -12.289 271 HZ2 TRP 36 HZ2 TRP 36 9.137 -28.425 -9.433 272 HZ3 TRP 36 HZ3 TRP 36 7.718 -29.868 -13.190 273 HH2 TRP 36 HH2 TRP 36 9.521 -29.000 -11.790 Start of MODEL 12 1 H SER 1 H SER 1 -1.238 -0.855 0.547 2 HA SER 1 HA SER 1 -1.124 -1.123 -2.338 3 HB2 SER 1 HB2 SER 1 -0.932 1.077 -0.985 4 HB3 SER 1 HB3 SER 1 0.733 0.578 -0.689 5 HG SER 1 HG SER 1 1.055 0.531 -2.936 6 H GLU 2 H GLU 2 -0.453 -3.494 -1.725 7 HA GLU 2 HA GLU 2 2.450 -3.668 -1.354 8 HB2 GLU 2 HB2 GLU 2 0.180 -5.572 -0.986 9 HB3 GLU 2 HB3 GLU 2 1.771 -6.225 -1.350 10 HG2 GLU 2 HG2 GLU 2 1.048 -4.466 0.981 11 HG3 GLU 2 HG3 GLU 2 1.403 -6.192 1.033 12 H ASP 3 H ASP 3 3.703 -3.838 -3.077 13 HA ASP 3 HA ASP 3 2.538 -4.863 -5.578 14 HB2 ASP 3 HB2 ASP 3 3.751 -2.477 -5.202 15 HB3 ASP 3 HB3 ASP 3 5.143 -3.457 -5.655 16 H CYS 4 H CYS 4 2.946 -6.987 -5.691 17 HA CYS 4 HA CYS 4 5.586 -7.981 -4.898 18 HB2 CYS 4 HB2 CYS 4 4.566 -10.216 -5.024 19 HB3 CYS 4 HB3 CYS 4 3.659 -9.153 -3.954 20 H LEU 5 H LEU 5 6.416 -9.836 -6.314 21 HA LEU 5 HA LEU 5 6.597 -8.823 -9.028 22 HB2 LEU 5 HB2 LEU 5 8.027 -11.069 -7.617 23 HB3 LEU 5 HB3 LEU 5 8.342 -10.576 -9.280 24 HG LEU 5 HG LEU 5 8.748 -8.824 -6.857 25 HD11 LEU 5 HD11 LEU 5 10.342 -10.589 -6.748 26 HD12 LEU 5 HD12 LEU 5 11.169 -9.168 -7.383 27 HD13 LEU 5 HD13 LEU 5 10.685 -10.467 -8.474 28 HD21 LEU 5 HD21 LEU 5 8.993 -8.428 -9.787 29 HD22 LEU 5 HD22 LEU 5 10.225 -7.699 -8.757 30 HD23 LEU 5 HD23 LEU 5 8.525 -7.291 -8.523 31 H GLY 6 H GLY 6 6.773 -10.625 -10.781 32 HA2 GLY 6 HA2 GLY 6 4.318 -12.236 -10.547 33 HA3 GLY 6 HA3 GLY 6 5.026 -11.679 -12.055 34 H TRP 7 H TRP 7 4.502 -14.124 -12.335 35 HA TRP 7 HA TRP 7 6.301 -16.004 -11.186 36 HB2 TRP 7 HB2 TRP 7 5.417 -17.562 -12.879 37 HB3 TRP 7 HB3 TRP 7 4.125 -16.695 -12.054 38 HD1 TRP 7 HD1 TRP 7 5.874 -16.922 -15.460 39 HE1 TRP 7 HE1 TRP 7 4.355 -15.836 -17.232 40 HE3 TRP 7 HE3 TRP 7 2.281 -14.991 -12.376 41 HZ2 TRP 7 HZ2 TRP 7 1.953 -14.357 -17.312 42 HZ3 TRP 7 HZ3 TRP 7 0.406 -13.754 -13.381 43 HH2 TRP 7 HH2 TRP 7 0.247 -13.443 -15.797 44 H ALA 8 H ALA 8 6.322 -14.059 -14.105 45 HA ALA 8 HA ALA 8 8.790 -15.334 -15.017 46 HB1 ALA 8 HB1 ALA 8 8.198 -14.734 -17.086 47 HB2 ALA 8 HB2 ALA 8 6.619 -14.367 -16.390 48 HB3 ALA 8 HB3 ALA 8 7.812 -13.085 -16.594 49 H SER 9 H SER 9 8.590 -13.564 -12.615 50 HA SER 9 HA SER 9 10.329 -11.353 -13.468 51 HB2 SER 9 HB2 SER 9 8.770 -11.737 -10.901 52 HB3 SER 9 HB3 SER 9 9.810 -10.357 -11.252 53 HG SER 9 HG SER 9 8.378 -9.611 -12.663 54 H ARG 10 H ARG 10 12.326 -11.016 -12.525 55 HA ARG 10 HA ARG 10 13.689 -13.349 -11.616 56 HB2 ARG 10 HB2 ARG 10 14.565 -10.460 -11.762 57 HB3 ARG 10 HB3 ARG 10 15.629 -11.799 -11.356 58 HG2 ARG 10 HG2 ARG 10 14.650 -12.720 -13.666 59 HG3 ARG 10 HG3 ARG 10 14.509 -10.985 -13.962 60 HD2 ARG 10 HD2 ARG 10 17.059 -11.976 -12.819 61 HD3 ARG 10 HD3 ARG 10 16.726 -12.360 -14.507 62 HE ARG 10 HE ARG 10 16.281 -9.607 -13.974 63 HH11 ARG 10 HH11 ARG 10 18.795 -11.957 -14.497 64 HH12 ARG 10 HH12 ARG 10 19.927 -10.802 -15.117 65 HH21 ARG 10 HH21 ARG 10 17.764 -8.076 -14.788 66 HH22 ARG 10 HH22 ARG 10 19.340 -8.594 -15.281 67 H CYS 11 H CYS 11 14.956 -13.461 -9.614 68 HA CYS 11 HA CYS 11 14.460 -11.792 -7.399 69 HB2 CYS 11 HB2 CYS 11 12.963 -13.104 -6.074 70 HB3 CYS 11 HB3 CYS 11 12.198 -12.871 -7.642 71 H SER 12 H SER 12 15.260 -12.796 -5.334 72 HA SER 12 HA SER 12 17.246 -14.902 -5.878 73 HB2 SER 12 HB2 SER 12 17.622 -12.200 -4.685 74 HB3 SER 12 HB3 SER 12 18.547 -13.530 -3.990 75 HG SER 12 HG SER 12 19.810 -13.404 -5.649 76 HA PRO 13 HA PRO 13 15.842 -16.982 -2.281 77 HB2 PRO 13 HB2 PRO 13 18.147 -17.952 -1.226 78 HB3 PRO 13 HB3 PRO 13 17.425 -18.591 -2.708 79 HG2 PRO 13 HG2 PRO 13 19.678 -16.646 -2.385 80 HG3 PRO 13 HG3 PRO 13 19.535 -18.017 -3.501 81 HD2 PRO 13 HD2 PRO 13 19.086 -15.461 -4.270 82 HD3 PRO 13 HD3 PRO 13 18.220 -16.838 -4.981 83 H LYS 14 H LYS 14 18.326 -14.554 -1.887 84 HA LYS 14 HA LYS 14 18.095 -14.437 0.982 85 HB2 LYS 14 HB2 LYS 14 19.578 -12.481 0.795 86 HB3 LYS 14 HB3 LYS 14 20.209 -13.867 -0.083 87 HG2 LYS 14 HG2 LYS 14 19.369 -12.908 -2.179 88 HG3 LYS 14 HG3 LYS 14 18.781 -11.504 -1.285 89 HD2 LYS 14 HD2 LYS 14 21.250 -11.355 -0.453 90 HD3 LYS 14 HD3 LYS 14 21.590 -12.339 -1.878 91 HE2 LYS 14 HE2 LYS 14 20.573 -10.670 -3.309 92 HE3 LYS 14 HE3 LYS 14 20.116 -9.708 -1.905 93 HZ1 LYS 14 HZ1 LYS 14 22.106 -8.766 -1.880 94 HZ2 LYS 14 HZ2 LYS 14 22.462 -9.538 -3.341 95 HZ3 LYS 14 HZ3 LYS 14 22.895 -10.261 -1.876 96 H ASN 15 H ASN 15 16.855 -12.625 -1.774 97 HA ASN 15 HA ASN 15 14.974 -11.291 0.046 98 HB2 ASN 15 HB2 ASN 15 16.542 -10.001 -2.195 99 HB3 ASN 15 HB3 ASN 15 15.157 -9.246 -1.411 100 HD21 ASN 15 HD21 ASN 15 17.957 -8.413 -1.538 101 HD22 ASN 15 HD22 ASN 15 18.476 -8.248 0.102 102 H ASP 16 H ASP 16 13.596 -13.066 -0.686 103 HA ASP 16 HA ASP 16 12.715 -12.943 -3.462 104 HB2 ASP 16 HB2 ASP 16 12.928 -15.168 -2.752 105 HB3 ASP 16 HB3 ASP 16 12.203 -14.833 -1.182 106 H LYS 17 H LYS 17 11.344 -11.337 -3.895 107 HA LYS 17 HA LYS 17 9.114 -10.875 -2.023 108 HB2 LYS 17 HB2 LYS 17 9.029 -8.564 -3.010 109 HB3 LYS 17 HB3 LYS 17 10.467 -8.910 -2.060 110 HG2 LYS 17 HG2 LYS 17 10.593 -9.377 -4.988 111 HG3 LYS 17 HG3 LYS 17 10.595 -7.710 -4.408 112 HD2 LYS 17 HD2 LYS 17 12.423 -8.700 -2.751 113 HD3 LYS 17 HD3 LYS 17 12.631 -9.847 -4.076 114 HE2 LYS 17 HE2 LYS 17 14.159 -8.108 -4.504 115 HE3 LYS 17 HE3 LYS 17 12.809 -7.827 -5.602 116 HZ1 LYS 17 HZ1 LYS 17 13.789 -6.194 -3.454 117 HZ2 LYS 17 HZ2 LYS 17 12.115 -6.428 -3.387 118 HZ3 LYS 17 HZ3 LYS 17 12.823 -5.772 -4.778 119 H CYS 18 H CYS 18 8.603 -12.875 -3.626 120 HA CYS 18 HA CYS 18 7.177 -11.800 -5.961 121 HB2 CYS 18 HB2 CYS 18 7.872 -14.679 -5.341 122 HB3 CYS 18 HB3 CYS 18 7.177 -14.068 -6.839 123 H CYS 19 H CYS 19 5.036 -12.593 -6.420 124 HA CYS 19 HA CYS 19 3.246 -12.380 -4.332 125 HB2 CYS 19 HB2 CYS 19 3.084 -13.436 -7.112 126 HB3 CYS 19 HB3 CYS 19 1.745 -13.794 -6.025 127 HA PRO 20 HA PRO 20 3.054 -16.219 -2.221 128 HB2 PRO 20 HB2 PRO 20 0.392 -16.523 -1.788 129 HB3 PRO 20 HB3 PRO 20 1.372 -15.324 -0.936 130 HG2 PRO 20 HG2 PRO 20 -0.423 -14.966 -3.305 131 HG3 PRO 20 HG3 PRO 20 -0.243 -13.937 -1.872 132 HD2 PRO 20 HD2 PRO 20 0.933 -13.355 -4.242 133 HD3 PRO 20 HD3 PRO 20 1.666 -12.928 -2.682 134 H ASN 21 H ASN 21 1.800 -18.385 -2.190 135 HA ASN 21 HA ASN 21 1.333 -20.340 -3.255 136 HB2 ASN 21 HB2 ASN 21 -0.095 -18.344 -4.988 137 HB3 ASN 21 HB3 ASN 21 -0.087 -20.053 -5.410 138 HD21 ASN 21 HD21 ASN 21 -1.464 -17.632 -3.479 139 HD22 ASN 21 HD22 ASN 21 -2.512 -18.638 -2.544 140 H TYR 22 H TYR 22 3.798 -18.797 -3.915 141 HA TYR 22 HA TYR 22 4.429 -20.186 -6.431 142 HB2 TYR 22 HB2 TYR 22 5.111 -17.369 -5.622 143 HB3 TYR 22 HB3 TYR 22 6.071 -18.236 -6.816 144 HD1 TYR 22 HD1 TYR 22 4.096 -19.669 -8.381 145 HD2 TYR 22 HD2 TYR 22 3.905 -15.745 -6.749 146 HE1 TYR 22 HE1 TYR 22 2.502 -19.022 -10.139 147 HE2 TYR 22 HE2 TYR 22 2.309 -15.087 -8.501 148 HH TYR 22 HH TYR 22 1.305 -15.696 -10.400 149 H LYS 23 H LYS 23 7.033 -19.942 -6.660 150 HA LYS 23 HA LYS 23 8.367 -20.388 -4.123 151 HB2 LYS 23 HB2 LYS 23 7.302 -22.591 -5.070 152 HB3 LYS 23 HB3 LYS 23 8.672 -22.550 -6.173 153 HG2 LYS 23 HG2 LYS 23 9.125 -22.290 -3.234 154 HG3 LYS 23 HG3 LYS 23 8.833 -23.878 -3.950 155 HD2 LYS 23 HD2 LYS 23 10.690 -23.381 -5.566 156 HD3 LYS 23 HD3 LYS 23 11.047 -21.940 -4.610 157 HE2 LYS 23 HE2 LYS 23 12.498 -23.441 -3.664 158 HE3 LYS 23 HE3 LYS 23 11.089 -23.660 -2.626 159 HZ1 LYS 23 HZ1 LYS 23 10.491 -25.484 -4.339 160 HZ2 LYS 23 HZ2 LYS 23 11.645 -25.811 -3.148 161 HZ3 LYS 23 HZ3 LYS 23 12.139 -25.435 -4.721 162 H CYS 24 H CYS 24 9.993 -18.990 -4.355 163 HA CYS 24 HA CYS 24 11.121 -18.163 -6.781 164 HB2 CYS 24 HB2 CYS 24 11.255 -17.042 -4.476 165 HB3 CYS 24 HB3 CYS 24 12.597 -18.134 -4.154 166 H SER 25 H SER 25 12.472 -19.133 -8.131 167 HA SER 25 HA SER 25 13.830 -21.572 -7.264 168 HB2 SER 25 HB2 SER 25 12.523 -21.780 -9.295 169 HB3 SER 25 HB3 SER 25 13.363 -20.410 -10.020 170 HG SER 25 HG SER 25 14.169 -22.476 -10.703 171 H SER 26 H SER 26 15.810 -21.320 -6.478 172 HA SER 26 HA SER 26 17.427 -19.038 -6.989 173 HB2 SER 26 HB2 SER 26 18.609 -21.571 -5.926 174 HB3 SER 26 HB3 SER 26 18.889 -19.905 -5.421 175 HG SER 26 HG SER 26 17.551 -21.368 -4.022 176 H LYS 27 H LYS 27 16.896 -21.919 -8.695 177 HA LYS 27 HA LYS 27 19.429 -22.326 -9.870 178 HB2 LYS 27 HB2 LYS 27 16.636 -23.161 -10.483 179 HB3 LYS 27 HB3 LYS 27 17.832 -23.315 -11.762 180 HG2 LYS 27 HG2 LYS 27 17.845 -25.392 -10.719 181 HG3 LYS 27 HG3 LYS 27 19.247 -24.566 -10.036 182 HD2 LYS 27 HD2 LYS 27 18.192 -24.210 -7.989 183 HD3 LYS 27 HD3 LYS 27 16.581 -24.444 -8.670 184 HE2 LYS 27 HE2 LYS 27 18.514 -26.710 -8.740 185 HE3 LYS 27 HE3 LYS 27 17.734 -26.309 -7.210 186 HZ1 LYS 27 HZ1 LYS 27 16.609 -27.485 -9.610 187 HZ2 LYS 27 HZ2 LYS 27 15.644 -26.313 -8.864 188 HZ3 LYS 27 HZ3 LYS 27 16.149 -27.672 -7.993 189 H ASP 28 H ASP 28 16.515 -20.806 -11.265 190 HA ASP 28 HA ASP 28 18.263 -19.372 -13.145 191 HB2 ASP 28 HB2 ASP 28 15.647 -20.620 -13.381 192 HB3 ASP 28 HB3 ASP 28 15.625 -18.949 -13.939 193 H LEU 29 H LEU 29 17.234 -18.805 -10.228 194 HA LEU 29 HA LEU 29 16.623 -16.999 -8.982 195 HB2 LEU 29 HB2 LEU 29 17.855 -15.552 -11.321 196 HB3 LEU 29 HB3 LEU 29 17.509 -14.834 -9.750 197 HG LEU 29 HG LEU 29 19.402 -17.147 -10.104 198 HD11 LEU 29 HD11 LEU 29 19.827 -14.226 -10.479 199 HD12 LEU 29 HD12 LEU 29 20.555 -15.593 -11.322 200 HD13 LEU 29 HD13 LEU 29 21.093 -15.174 -9.695 201 HD21 LEU 29 HD21 LEU 29 20.264 -16.266 -7.930 202 HD22 LEU 29 HD22 LEU 29 18.627 -16.917 -7.859 203 HD23 LEU 29 HD23 LEU 29 18.882 -15.172 -7.889 204 H TRP 30 H TRP 30 14.539 -18.030 -10.519 205 HA TRP 30 HA TRP 30 12.965 -15.591 -10.972 206 HB2 TRP 30 HB2 TRP 30 11.989 -16.426 -12.963 207 HB3 TRP 30 HB3 TRP 30 13.721 -16.698 -13.138 208 HD1 TRP 30 HD1 TRP 30 14.265 -19.394 -11.882 209 HE1 TRP 30 HE1 TRP 30 13.165 -21.566 -12.714 210 HE3 TRP 30 HE3 TRP 30 10.198 -17.391 -14.245 211 HZ2 TRP 30 HZ2 TRP 30 10.877 -22.330 -14.179 212 HZ3 TRP 30 HZ3 TRP 30 8.602 -18.912 -15.338 213 HH2 TRP 30 HH2 TRP 30 8.936 -21.330 -15.304 214 H CYS 31 H CYS 31 10.743 -15.764 -10.512 215 HA CYS 31 HA CYS 31 10.112 -17.564 -8.399 216 HB2 CYS 31 HB2 CYS 31 8.155 -15.852 -9.933 217 HB3 CYS 31 HB3 CYS 31 8.008 -16.439 -8.279 218 H LYS 32 H LYS 32 9.688 -19.643 -8.709 219 HA LYS 32 HA LYS 32 8.511 -20.552 -11.211 220 HB2 LYS 32 HB2 LYS 32 9.957 -21.822 -8.950 221 HB3 LYS 32 HB3 LYS 32 8.794 -22.821 -9.811 222 HG2 LYS 32 HG2 LYS 32 9.962 -22.277 -11.925 223 HG3 LYS 32 HG3 LYS 32 11.173 -21.399 -10.987 224 HD2 LYS 32 HD2 LYS 32 12.125 -23.510 -11.312 225 HD3 LYS 32 HD3 LYS 32 11.461 -23.587 -9.677 226 HE2 LYS 32 HE2 LYS 32 9.622 -24.882 -10.378 227 HE3 LYS 32 HE3 LYS 32 9.913 -24.522 -12.079 228 HZ1 LYS 32 HZ1 LYS 32 12.200 -25.701 -11.444 229 HZ2 LYS 32 HZ2 LYS 32 10.857 -26.551 -12.019 230 HZ3 LYS 32 HZ3 LYS 32 11.175 -26.496 -10.358 231 H TYR 33 H TYR 33 6.821 -22.339 -11.008 232 HA TYR 33 HA TYR 33 4.622 -21.275 -9.449 233 HB2 TYR 33 HB2 TYR 33 4.631 -23.643 -11.328 234 HB3 TYR 33 HB3 TYR 33 3.221 -22.782 -10.722 235 HD1 TYR 33 HD1 TYR 33 5.978 -22.732 -13.116 236 HD2 TYR 33 HD2 TYR 33 2.644 -20.573 -11.593 237 HE1 TYR 33 HE1 TYR 33 6.067 -21.234 -15.065 238 HE2 TYR 33 HE2 TYR 33 2.722 -19.069 -13.538 239 HH TYR 33 HH TYR 33 5.139 -19.512 -16.106 240 H LYS 34 H LYS 34 4.003 -22.021 -7.538 241 HA LYS 34 HA LYS 34 5.308 -24.304 -6.368 242 HB2 LYS 34 HB2 LYS 34 4.426 -22.028 -5.291 243 HB3 LYS 34 HB3 LYS 34 2.985 -23.004 -5.035 244 HG2 LYS 34 HG2 LYS 34 5.661 -24.036 -4.201 245 HG3 LYS 34 HG3 LYS 34 4.793 -22.879 -3.189 246 HD2 LYS 34 HD2 LYS 34 2.799 -24.567 -3.581 247 HD3 LYS 34 HD3 LYS 34 4.122 -25.701 -3.866 248 HE2 LYS 34 HE2 LYS 34 4.975 -25.420 -1.700 249 HE3 LYS 34 HE3 LYS 34 4.051 -23.943 -1.435 250 HZ1 LYS 34 HZ1 LYS 34 2.579 -25.232 -0.413 251 HZ2 LYS 34 HZ2 LYS 34 3.293 -26.657 -0.977 252 HZ3 LYS 34 HZ3 LYS 34 2.158 -25.846 -1.933 253 H ILE 35 H ILE 35 2.286 -23.645 -7.924 254 HA ILE 35 HA ILE 35 0.887 -25.919 -6.889 255 HB ILE 35 HB ILE 35 0.285 -24.310 -9.373 256 HG12 ILE 35 HG12 ILE 35 0.375 -22.922 -7.327 257 HG13 ILE 35 HG13 ILE 35 -1.255 -23.035 -7.981 258 HG21 ILE 35 HG21 ILE 35 -2.079 -25.146 -8.776 259 HG22 ILE 35 HG22 ILE 35 -0.962 -26.262 -9.560 260 HG23 ILE 35 HG23 ILE 35 -1.239 -26.369 -7.822 261 HD11 ILE 35 HD11 ILE 35 -0.378 -23.602 -5.370 262 HD12 ILE 35 HD12 ILE 35 -2.000 -23.780 -6.041 263 HD13 ILE 35 HD13 ILE 35 -0.871 -25.133 -6.095 264 H TRP 36 H TRP 36 0.764 -27.947 -7.666 265 HA TRP 36 HA TRP 36 2.332 -28.556 -10.085 266 HB2 TRP 36 HB2 TRP 36 2.637 -30.816 -9.129 267 HB3 TRP 36 HB3 TRP 36 3.292 -29.557 -8.085 268 HD1 TRP 36 HD1 TRP 36 2.293 -29.337 -5.676 269 HE1 TRP 36 HE1 TRP 36 0.578 -30.705 -4.328 270 HE3 TRP 36 HE3 TRP 36 0.408 -32.223 -9.452 271 HZ2 TRP 36 HZ2 TRP 36 -1.321 -32.738 -4.802 272 HZ3 TRP 36 HZ3 TRP 36 -1.356 -33.855 -8.921 273 HH2 TRP 36 HH2 TRP 36 -2.199 -34.107 -6.644 Start of MODEL 13 1 H SER 1 H SER 1 0.937 -0.254 -2.339 2 HA SER 1 HA SER 1 1.049 -2.207 -0.149 3 HB2 SER 1 HB2 SER 1 -0.822 -0.861 0.219 4 HB3 SER 1 HB3 SER 1 -1.198 -0.743 -1.499 5 HG SER 1 HG SER 1 -2.324 -2.339 0.170 6 H GLU 2 H GLU 2 0.843 -4.349 -0.498 7 HA GLU 2 HA GLU 2 0.921 -6.325 -1.629 8 HB2 GLU 2 HB2 GLU 2 -1.513 -5.371 -2.002 9 HB3 GLU 2 HB3 GLU 2 -0.977 -5.250 -3.671 10 HG2 GLU 2 HG2 GLU 2 -0.723 -7.550 -3.889 11 HG3 GLU 2 HG3 GLU 2 -0.683 -7.805 -2.145 12 H ASP 3 H ASP 3 2.989 -4.648 -2.302 13 HA ASP 3 HA ASP 3 3.224 -4.623 -5.202 14 HB2 ASP 3 HB2 ASP 3 5.160 -3.727 -3.054 15 HB3 ASP 3 HB3 ASP 3 5.387 -3.503 -4.787 16 H CYS 4 H CYS 4 3.407 -6.729 -5.858 17 HA CYS 4 HA CYS 4 5.810 -8.158 -4.931 18 HB2 CYS 4 HB2 CYS 4 4.624 -10.276 -5.219 19 HB3 CYS 4 HB3 CYS 4 3.779 -9.246 -4.067 20 H LEU 5 H LEU 5 6.683 -9.701 -6.519 21 HA LEU 5 HA LEU 5 6.685 -8.509 -9.160 22 HB2 LEU 5 HB2 LEU 5 8.257 -10.820 -8.033 23 HB3 LEU 5 HB3 LEU 5 8.508 -10.095 -9.619 24 HG LEU 5 HG LEU 5 8.759 -8.429 -7.144 25 HD11 LEU 5 HD11 LEU 5 11.113 -8.970 -7.006 26 HD12 LEU 5 HD12 LEU 5 10.951 -10.127 -8.327 27 HD13 LEU 5 HD13 LEU 5 10.145 -10.429 -6.788 28 HD21 LEU 5 HD21 LEU 5 10.438 -7.288 -8.625 29 HD22 LEU 5 HD22 LEU 5 8.767 -7.205 -9.181 30 HD23 LEU 5 HD23 LEU 5 9.891 -8.337 -9.933 31 H GLY 6 H GLY 6 6.815 -10.128 -11.059 32 HA2 GLY 6 HA2 GLY 6 4.375 -11.728 -10.939 33 HA3 GLY 6 HA3 GLY 6 5.241 -11.259 -12.394 34 H TRP 7 H TRP 7 4.343 -13.822 -12.130 35 HA TRP 7 HA TRP 7 6.130 -15.641 -10.964 36 HB2 TRP 7 HB2 TRP 7 5.037 -17.332 -12.265 37 HB3 TRP 7 HB3 TRP 7 3.813 -16.154 -11.799 38 HD1 TRP 7 HD1 TRP 7 3.530 -14.128 -13.885 39 HE1 TRP 7 HE1 TRP 7 3.162 -14.617 -16.385 40 HE3 TRP 7 HE3 TRP 7 5.320 -18.914 -14.049 41 HZ2 TRP 7 HZ2 TRP 7 3.575 -16.749 -18.188 42 HZ3 TRP 7 HZ3 TRP 7 5.298 -20.109 -16.200 43 HH2 TRP 7 HH2 TRP 7 4.442 -19.047 -18.225 44 H ALA 8 H ALA 8 6.166 -13.990 -14.053 45 HA ALA 8 HA ALA 8 8.508 -15.511 -14.921 46 HB1 ALA 8 HB1 ALA 8 7.424 -13.309 -16.581 47 HB2 ALA 8 HB2 ALA 8 8.021 -14.900 -17.053 48 HB3 ALA 8 HB3 ALA 8 6.409 -14.735 -16.360 49 H SER 9 H SER 9 8.599 -13.601 -12.675 50 HA SER 9 HA SER 9 10.378 -11.541 -13.785 51 HB2 SER 9 HB2 SER 9 9.019 -11.683 -11.082 52 HB3 SER 9 HB3 SER 9 10.071 -10.374 -11.625 53 HG SER 9 HG SER 9 8.399 -9.549 -12.569 54 H ARG 10 H ARG 10 12.223 -10.931 -12.275 55 HA ARG 10 HA ARG 10 13.651 -13.382 -11.599 56 HB2 ARG 10 HB2 ARG 10 15.644 -12.096 -11.681 57 HB3 ARG 10 HB3 ARG 10 14.659 -11.559 -13.035 58 HG2 ARG 10 HG2 ARG 10 15.255 -9.528 -12.259 59 HG3 ARG 10 HG3 ARG 10 13.864 -9.785 -11.204 60 HD2 ARG 10 HD2 ARG 10 15.699 -10.959 -9.696 61 HD3 ARG 10 HD3 ARG 10 16.769 -9.877 -10.587 62 HE ARG 10 HE ARG 10 14.865 -9.150 -8.565 63 HH11 ARG 10 HH11 ARG 10 16.640 -8.045 -11.349 64 HH12 ARG 10 HH12 ARG 10 16.571 -6.375 -10.893 65 HH21 ARG 10 HH21 ARG 10 14.767 -6.954 -7.955 66 HH22 ARG 10 HH22 ARG 10 15.506 -5.756 -8.962 67 H CYS 11 H CYS 11 14.842 -13.580 -9.608 68 HA CYS 11 HA CYS 11 14.451 -11.814 -7.424 69 HB2 CYS 11 HB2 CYS 11 12.950 -13.074 -6.055 70 HB3 CYS 11 HB3 CYS 11 12.168 -12.860 -7.619 71 H SER 12 H SER 12 15.349 -12.697 -5.392 72 HA SER 12 HA SER 12 17.269 -14.872 -5.910 73 HB2 SER 12 HB2 SER 12 18.619 -13.496 -4.072 74 HB3 SER 12 HB3 SER 12 18.739 -13.108 -5.789 75 HG SER 12 HG SER 12 18.300 -11.202 -4.827 76 HA PRO 13 HA PRO 13 15.894 -16.889 -2.267 77 HB2 PRO 13 HB2 PRO 13 18.206 -17.863 -1.228 78 HB3 PRO 13 HB3 PRO 13 17.459 -18.517 -2.691 79 HG2 PRO 13 HG2 PRO 13 19.732 -16.586 -2.424 80 HG3 PRO 13 HG3 PRO 13 19.563 -17.972 -3.518 81 HD2 PRO 13 HD2 PRO 13 19.126 -15.422 -4.318 82 HD3 PRO 13 HD3 PRO 13 18.240 -16.802 -4.999 83 H LYS 14 H LYS 14 18.395 -14.470 -1.941 84 HA LYS 14 HA LYS 14 18.239 -14.318 0.925 85 HB2 LYS 14 HB2 LYS 14 19.404 -12.295 -0.993 86 HB3 LYS 14 HB3 LYS 14 19.740 -12.435 0.727 87 HG2 LYS 14 HG2 LYS 14 20.552 -14.826 0.088 88 HG3 LYS 14 HG3 LYS 14 20.679 -14.138 -1.531 89 HD2 LYS 14 HD2 LYS 14 21.885 -12.742 0.831 90 HD3 LYS 14 HD3 LYS 14 22.743 -14.057 0.024 91 HE2 LYS 14 HE2 LYS 14 21.716 -11.561 -1.324 92 HE3 LYS 14 HE3 LYS 14 23.386 -11.832 -0.826 93 HZ1 LYS 14 HZ1 LYS 14 21.878 -13.065 -3.021 94 HZ2 LYS 14 HZ2 LYS 14 23.113 -13.956 -2.284 95 HZ3 LYS 14 HZ3 LYS 14 23.460 -12.467 -3.006 96 H ASN 15 H ASN 15 16.871 -12.556 -1.803 97 HA ASN 15 HA ASN 15 15.011 -11.257 0.064 98 HB2 ASN 15 HB2 ASN 15 16.649 -9.948 -2.096 99 HB3 ASN 15 HB3 ASN 15 15.134 -9.240 -1.544 100 HD21 ASN 15 HD21 ASN 15 14.974 -8.499 0.594 101 HD22 ASN 15 HD22 ASN 15 16.382 -8.128 1.524 102 H ASP 16 H ASP 16 13.622 -13.019 -0.638 103 HA ASP 16 HA ASP 16 12.717 -12.942 -3.405 104 HB2 ASP 16 HB2 ASP 16 12.918 -15.151 -2.642 105 HB3 ASP 16 HB3 ASP 16 12.200 -14.774 -1.079 106 H LYS 17 H LYS 17 11.351 -11.343 -3.873 107 HA LYS 17 HA LYS 17 9.118 -10.843 -2.014 108 HB2 LYS 17 HB2 LYS 17 9.082 -8.527 -3.087 109 HB3 LYS 17 HB3 LYS 17 10.404 -8.871 -1.979 110 HG2 LYS 17 HG2 LYS 17 10.867 -9.412 -4.852 111 HG3 LYS 17 HG3 LYS 17 10.779 -7.725 -4.342 112 HD2 LYS 17 HD2 LYS 17 12.472 -9.610 -2.773 113 HD3 LYS 17 HD3 LYS 17 13.065 -9.037 -4.334 114 HE2 LYS 17 HE2 LYS 17 13.918 -7.450 -2.893 115 HE3 LYS 17 HE3 LYS 17 12.413 -6.691 -3.412 116 HZ1 LYS 17 HZ1 LYS 17 11.374 -7.239 -1.395 117 HZ2 LYS 17 HZ2 LYS 17 12.896 -6.650 -0.956 118 HZ3 LYS 17 HZ3 LYS 17 12.600 -8.315 -0.943 119 H CYS 18 H CYS 18 8.613 -12.827 -3.642 120 HA CYS 18 HA CYS 18 7.242 -11.726 -5.996 121 HB2 CYS 18 HB2 CYS 18 7.913 -14.605 -5.353 122 HB3 CYS 18 HB3 CYS 18 7.191 -14.019 -6.847 123 H CYS 19 H CYS 19 5.096 -12.480 -6.494 124 HA CYS 19 HA CYS 19 3.271 -12.232 -4.439 125 HB2 CYS 19 HB2 CYS 19 3.152 -13.246 -7.229 126 HB3 CYS 19 HB3 CYS 19 1.798 -13.651 -6.179 127 HA PRO 20 HA PRO 20 2.971 -16.066 -2.332 128 HB2 PRO 20 HB2 PRO 20 0.295 -16.321 -1.948 129 HB3 PRO 20 HB3 PRO 20 1.282 -15.140 -1.078 130 HG2 PRO 20 HG2 PRO 20 -0.463 -14.750 -3.479 131 HG3 PRO 20 HG3 PRO 20 -0.289 -13.724 -2.043 132 HD2 PRO 20 HD2 PRO 20 0.939 -13.164 -4.391 133 HD3 PRO 20 HD3 PRO 20 1.652 -12.751 -2.819 134 H ASN 21 H ASN 21 1.679 -18.209 -2.325 135 HA ASN 21 HA ASN 21 1.186 -20.154 -3.395 136 HB2 ASN 21 HB2 ASN 21 -0.192 -18.103 -5.084 137 HB3 ASN 21 HB3 ASN 21 -0.134 -19.771 -5.645 138 HD21 ASN 21 HD21 ASN 21 -2.185 -17.790 -4.387 139 HD22 ASN 21 HD22 ASN 21 -3.028 -18.794 -3.261 140 H TYR 22 H TYR 22 3.704 -18.677 -3.992 141 HA TYR 22 HA TYR 22 4.372 -20.102 -6.477 142 HB2 TYR 22 HB2 TYR 22 5.069 -17.276 -5.706 143 HB3 TYR 22 HB3 TYR 22 6.039 -18.176 -6.867 144 HD1 TYR 22 HD1 TYR 22 4.106 -19.602 -8.465 145 HD2 TYR 22 HD2 TYR 22 3.872 -15.668 -6.859 146 HE1 TYR 22 HE1 TYR 22 2.549 -18.967 -10.262 147 HE2 TYR 22 HE2 TYR 22 2.315 -15.023 -8.651 148 HH TYR 22 HH TYR 22 1.769 -16.970 -11.400 149 H LYS 23 H LYS 23 6.987 -19.871 -6.649 150 HA LYS 23 HA LYS 23 8.263 -20.275 -4.079 151 HB2 LYS 23 HB2 LYS 23 7.230 -22.492 -4.787 152 HB3 LYS 23 HB3 LYS 23 8.385 -22.497 -6.113 153 HG2 LYS 23 HG2 LYS 23 9.306 -23.833 -4.397 154 HG3 LYS 23 HG3 LYS 23 10.207 -22.315 -4.395 155 HD2 LYS 23 HD2 LYS 23 8.873 -21.512 -2.518 156 HD3 LYS 23 HD3 LYS 23 7.931 -23.005 -2.534 157 HE2 LYS 23 HE2 LYS 23 10.896 -23.180 -2.296 158 HE3 LYS 23 HE3 LYS 23 9.962 -22.681 -0.886 159 HZ1 LYS 23 HZ1 LYS 23 10.172 -25.002 -0.748 160 HZ2 LYS 23 HZ2 LYS 23 9.780 -25.232 -2.377 161 HZ3 LYS 23 HZ3 LYS 23 8.589 -24.736 -1.283 162 H CYS 24 H CYS 24 9.913 -18.908 -4.320 163 HA CYS 24 HA CYS 24 11.089 -18.126 -6.724 164 HB2 CYS 24 HB2 CYS 24 11.253 -17.056 -4.379 165 HB3 CYS 24 HB3 CYS 24 12.599 -18.163 -4.121 166 H SER 25 H SER 25 12.543 -19.023 -8.037 167 HA SER 25 HA SER 25 13.800 -21.536 -7.187 168 HB2 SER 25 HB2 SER 25 12.459 -21.729 -9.202 169 HB3 SER 25 HB3 SER 25 13.331 -20.391 -9.950 170 HG SER 25 HG SER 25 14.699 -22.687 -9.057 171 H SER 26 H SER 26 15.792 -21.308 -6.425 172 HA SER 26 HA SER 26 17.440 -19.058 -6.977 173 HB2 SER 26 HB2 SER 26 18.485 -21.650 -5.865 174 HB3 SER 26 HB3 SER 26 18.985 -20.002 -5.486 175 HG SER 26 HG SER 26 17.679 -20.977 -3.841 176 H LYS 27 H LYS 27 16.851 -21.959 -8.638 177 HA LYS 27 HA LYS 27 19.361 -22.411 -9.842 178 HB2 LYS 27 HB2 LYS 27 16.551 -23.216 -10.406 179 HB3 LYS 27 HB3 LYS 27 17.724 -23.395 -11.704 180 HG2 LYS 27 HG2 LYS 27 17.939 -25.436 -10.751 181 HG3 LYS 27 HG3 LYS 27 19.117 -24.559 -9.772 182 HD2 LYS 27 HD2 LYS 27 17.978 -25.240 -7.981 183 HD3 LYS 27 HD3 LYS 27 16.690 -24.142 -8.483 184 HE2 LYS 27 HE2 LYS 27 15.829 -26.391 -8.090 185 HE3 LYS 27 HE3 LYS 27 15.662 -25.931 -9.784 186 HZ1 LYS 27 HZ1 LYS 27 17.191 -27.451 -10.446 187 HZ2 LYS 27 HZ2 LYS 27 16.639 -28.255 -9.064 188 HZ3 LYS 27 HZ3 LYS 27 18.082 -27.375 -9.010 189 H ASP 28 H ASP 28 16.453 -20.865 -11.219 190 HA ASP 28 HA ASP 28 18.197 -19.481 -13.138 191 HB2 ASP 28 HB2 ASP 28 15.529 -20.652 -13.303 192 HB3 ASP 28 HB3 ASP 28 15.585 -19.007 -13.930 193 H LEU 29 H LEU 29 17.226 -18.863 -10.214 194 HA LEU 29 HA LEU 29 16.665 -17.031 -8.979 195 HB2 LEU 29 HB2 LEU 29 17.980 -15.733 -11.356 196 HB3 LEU 29 HB3 LEU 29 17.522 -14.855 -9.897 197 HG LEU 29 HG LEU 29 19.503 -17.131 -9.994 198 HD11 LEU 29 HD11 LEU 29 19.798 -14.177 -10.228 199 HD12 LEU 29 HD12 LEU 29 20.677 -15.469 -11.044 200 HD13 LEU 29 HD13 LEU 29 21.029 -15.093 -9.357 201 HD21 LEU 29 HD21 LEU 29 18.848 -17.179 -7.819 202 HD22 LEU 29 HD22 LEU 29 18.307 -15.500 -7.825 203 HD23 LEU 29 HD23 LEU 29 20.028 -15.872 -7.711 204 H TRP 30 H TRP 30 14.549 -18.042 -10.506 205 HA TRP 30 HA TRP 30 13.006 -15.581 -10.940 206 HB2 TRP 30 HB2 TRP 30 12.014 -16.383 -12.931 207 HB3 TRP 30 HB3 TRP 30 13.735 -16.706 -13.113 208 HD1 TRP 30 HD1 TRP 30 14.187 -19.419 -11.833 209 HE1 TRP 30 HE1 TRP 30 13.026 -21.557 -12.673 210 HE3 TRP 30 HE3 TRP 30 10.213 -17.291 -14.243 211 HZ2 TRP 30 HZ2 TRP 30 10.730 -22.249 -14.161 212 HZ3 TRP 30 HZ3 TRP 30 8.580 -18.761 -15.351 213 HH2 TRP 30 HH2 TRP 30 8.835 -21.189 -15.310 214 H CYS 31 H CYS 31 10.761 -15.751 -10.519 215 HA CYS 31 HA CYS 31 10.121 -17.504 -8.370 216 HB2 CYS 31 HB2 CYS 31 8.168 -15.845 -9.967 217 HB3 CYS 31 HB3 CYS 31 8.005 -16.394 -8.301 218 H LYS 32 H LYS 32 9.749 -19.599 -8.655 219 HA LYS 32 HA LYS 32 8.572 -20.569 -11.133 220 HB2 LYS 32 HB2 LYS 32 10.081 -21.763 -8.878 221 HB3 LYS 32 HB3 LYS 32 8.905 -22.805 -9.668 222 HG2 LYS 32 HG2 LYS 32 10.020 -22.173 -11.852 223 HG3 LYS 32 HG3 LYS 32 11.309 -21.473 -10.873 224 HD2 LYS 32 HD2 LYS 32 12.154 -23.574 -11.159 225 HD3 LYS 32 HD3 LYS 32 11.205 -23.844 -9.696 226 HE2 LYS 32 HE2 LYS 32 9.519 -24.953 -10.844 227 HE3 LYS 32 HE3 LYS 32 9.972 -24.245 -12.393 228 HZ1 LYS 32 HZ1 LYS 32 11.419 -26.362 -10.902 229 HZ2 LYS 32 HZ2 LYS 32 12.044 -25.584 -12.268 230 HZ3 LYS 32 HZ3 LYS 32 10.636 -26.513 -12.394 231 H TYR 33 H TYR 33 6.917 -22.387 -10.886 232 HA TYR 33 HA TYR 33 4.679 -21.322 -9.417 233 HB2 TYR 33 HB2 TYR 33 3.433 -23.211 -10.476 234 HB3 TYR 33 HB3 TYR 33 4.262 -22.174 -11.631 235 HD1 TYR 33 HD1 TYR 33 4.391 -25.452 -9.927 236 HD2 TYR 33 HD2 TYR 33 5.949 -23.036 -13.062 237 HE1 TYR 33 HE1 TYR 33 5.516 -27.421 -10.877 238 HE2 TYR 33 HE2 TYR 33 7.079 -24.998 -14.022 239 HH TYR 33 HH TYR 33 7.797 -27.612 -12.544 240 H LYS 34 H LYS 34 3.608 -22.249 -7.707 241 HA LYS 34 HA LYS 34 5.165 -24.137 -6.131 242 HB2 LYS 34 HB2 LYS 34 3.899 -21.922 -5.360 243 HB3 LYS 34 HB3 LYS 34 2.564 -23.051 -5.163 244 HG2 LYS 34 HG2 LYS 34 4.413 -24.439 -3.875 245 HG3 LYS 34 HG3 LYS 34 5.109 -22.832 -3.658 246 HD2 LYS 34 HD2 LYS 34 3.021 -22.046 -2.677 247 HD3 LYS 34 HD3 LYS 34 2.290 -23.632 -2.934 248 HE2 LYS 34 HE2 LYS 34 4.812 -23.368 -1.346 249 HE3 LYS 34 HE3 LYS 34 3.253 -23.023 -0.599 250 HZ1 LYS 34 HZ1 LYS 34 3.454 -25.235 -0.154 251 HZ2 LYS 34 HZ2 LYS 34 4.330 -25.572 -1.561 252 HZ3 LYS 34 HZ3 LYS 34 2.657 -25.332 -1.643 253 H ILE 35 H ILE 35 2.276 -24.020 -8.034 254 HA ILE 35 HA ILE 35 0.797 -26.121 -6.991 255 HB ILE 35 HB ILE 35 1.121 -25.402 -9.908 256 HG12 ILE 35 HG12 ILE 35 -1.014 -24.513 -7.962 257 HG13 ILE 35 HG13 ILE 35 0.401 -23.546 -8.362 258 HG21 ILE 35 HG21 ILE 35 -1.085 -26.444 -10.183 259 HG22 ILE 35 HG22 ILE 35 0.125 -27.598 -9.624 260 HG23 ILE 35 HG23 ILE 35 -1.054 -26.937 -8.490 261 HD11 ILE 35 HD11 ILE 35 -1.214 -22.680 -9.754 262 HD12 ILE 35 HD12 ILE 35 -0.402 -23.841 -10.804 263 HD13 ILE 35 HD13 ILE 35 -1.946 -24.255 -10.058 264 H TRP 36 H TRP 36 0.818 -28.316 -7.200 265 HA TRP 36 HA TRP 36 3.334 -29.510 -7.981 266 HB2 TRP 36 HB2 TRP 36 2.287 -31.616 -7.129 267 HB3 TRP 36 HB3 TRP 36 2.323 -30.311 -5.946 268 HD1 TRP 36 HD1 TRP 36 -0.108 -32.336 -8.099 269 HE1 TRP 36 HE1 TRP 36 -2.495 -31.977 -7.204 270 HE3 TRP 36 HE3 TRP 36 0.852 -28.655 -4.683 271 HZ2 TRP 36 HZ2 TRP 36 -3.798 -30.349 -5.302 272 HZ3 TRP 36 HZ3 TRP 36 -1.020 -27.751 -3.366 273 HH2 TRP 36 HH2 TRP 36 -3.296 -28.580 -3.672 Start of MODEL 14 1 H SER 1 H SER 1 -2.892 -3.603 -5.830 2 HA SER 1 HA SER 1 -2.039 -1.192 -4.376 3 HB2 SER 1 HB2 SER 1 -4.353 -1.863 -3.697 4 HB3 SER 1 HB3 SER 1 -3.702 -3.413 -3.166 5 HG SER 1 HG SER 1 -3.252 -0.842 -2.104 6 H GLU 2 H GLU 2 -2.162 -4.750 -4.127 7 HA GLU 2 HA GLU 2 0.004 -5.047 -2.397 8 HB2 GLU 2 HB2 GLU 2 -1.554 -6.864 -2.871 9 HB3 GLU 2 HB3 GLU 2 -0.995 -6.936 -4.535 10 HG2 GLU 2 HG2 GLU 2 1.197 -7.652 -3.801 11 HG3 GLU 2 HG3 GLU 2 0.702 -7.505 -2.116 12 H ASP 3 H ASP 3 2.157 -5.016 -2.637 13 HA ASP 3 HA ASP 3 3.209 -4.545 -5.344 14 HB2 ASP 3 HB2 ASP 3 3.498 -2.941 -3.195 15 HB3 ASP 3 HB3 ASP 3 4.911 -3.972 -2.987 16 H CYS 4 H CYS 4 3.849 -6.447 -6.161 17 HA CYS 4 HA CYS 4 5.959 -7.887 -4.775 18 HB2 CYS 4 HB2 CYS 4 4.880 -10.065 -5.011 19 HB3 CYS 4 HB3 CYS 4 3.899 -9.001 -4.009 20 H LEU 5 H LEU 5 6.722 -9.773 -6.244 21 HA LEU 5 HA LEU 5 7.079 -8.640 -8.907 22 HB2 LEU 5 HB2 LEU 5 8.448 -10.919 -7.489 23 HB3 LEU 5 HB3 LEU 5 8.829 -10.395 -9.128 24 HG LEU 5 HG LEU 5 9.003 -8.402 -6.921 25 HD11 LEU 5 HD11 LEU 5 10.239 -10.792 -6.555 26 HD12 LEU 5 HD12 LEU 5 10.823 -9.251 -5.928 27 HD13 LEU 5 HD13 LEU 5 11.474 -9.892 -7.436 28 HD21 LEU 5 HD21 LEU 5 9.801 -8.659 -9.677 29 HD22 LEU 5 HD22 LEU 5 11.189 -8.287 -8.653 30 HD23 LEU 5 HD23 LEU 5 9.775 -7.230 -8.643 31 H GLY 6 H GLY 6 6.717 -9.803 -10.823 32 HA2 GLY 6 HA2 GLY 6 4.426 -11.513 -10.752 33 HA3 GLY 6 HA3 GLY 6 5.342 -11.060 -12.181 34 H TRP 7 H TRP 7 4.393 -13.576 -12.057 35 HA TRP 7 HA TRP 7 6.120 -15.456 -10.843 36 HB2 TRP 7 HB2 TRP 7 5.055 -17.075 -12.454 37 HB3 TRP 7 HB3 TRP 7 3.920 -16.162 -11.462 38 HD1 TRP 7 HD1 TRP 7 5.244 -16.333 -15.076 39 HE1 TRP 7 HE1 TRP 7 3.497 -15.252 -16.627 40 HE3 TRP 7 HE3 TRP 7 1.998 -14.572 -11.540 41 HZ2 TRP 7 HZ2 TRP 7 1.065 -13.840 -16.384 42 HZ3 TRP 7 HZ3 TRP 7 -0.015 -13.366 -12.283 43 HH2 TRP 7 HH2 TRP 7 -0.469 -13.008 -14.655 44 H ALA 8 H ALA 8 6.165 -13.800 -13.925 45 HA ALA 8 HA ALA 8 8.439 -15.392 -14.838 46 HB1 ALA 8 HB1 ALA 8 7.420 -13.136 -16.464 47 HB2 ALA 8 HB2 ALA 8 7.942 -14.748 -16.957 48 HB3 ALA 8 HB3 ALA 8 6.348 -14.518 -16.238 49 H SER 9 H SER 9 8.559 -13.434 -12.586 50 HA SER 9 HA SER 9 10.433 -11.467 -13.700 51 HB2 SER 9 HB2 SER 9 8.437 -10.804 -12.191 52 HB3 SER 9 HB3 SER 9 9.409 -11.452 -10.870 53 HG SER 9 HG SER 9 9.558 -9.067 -11.698 54 H ARG 10 H ARG 10 12.318 -10.932 -12.235 55 HA ARG 10 HA ARG 10 13.646 -13.430 -11.537 56 HB2 ARG 10 HB2 ARG 10 15.695 -12.152 -11.539 57 HB3 ARG 10 HB3 ARG 10 14.779 -11.765 -12.990 58 HG2 ARG 10 HG2 ARG 10 15.377 -9.669 -12.373 59 HG3 ARG 10 HG3 ARG 10 13.880 -9.807 -11.448 60 HD2 ARG 10 HD2 ARG 10 14.985 -10.066 -9.446 61 HD3 ARG 10 HD3 ARG 10 16.439 -10.706 -10.211 62 HE ARG 10 HE ARG 10 15.832 -7.955 -9.682 63 HH11 ARG 10 HH11 ARG 10 17.605 -10.130 -11.743 64 HH12 ARG 10 HH12 ARG 10 18.800 -8.952 -12.178 65 HH21 ARG 10 HH21 ARG 10 17.398 -6.396 -10.247 66 HH22 ARG 10 HH22 ARG 10 18.681 -6.830 -11.325 67 H CYS 11 H CYS 11 14.983 -13.525 -9.565 68 HA CYS 11 HA CYS 11 14.611 -11.770 -7.394 69 HB2 CYS 11 HB2 CYS 11 13.101 -12.981 -5.990 70 HB3 CYS 11 HB3 CYS 11 12.304 -12.771 -7.546 71 H SER 12 H SER 12 15.269 -12.919 -5.259 72 HA SER 12 HA SER 12 17.283 -14.985 -5.848 73 HB2 SER 12 HB2 SER 12 17.615 -12.345 -4.515 74 HB3 SER 12 HB3 SER 12 18.511 -13.706 -3.842 75 HG SER 12 HG SER 12 19.446 -14.032 -5.874 76 HA PRO 13 HA PRO 13 15.764 -17.247 -2.410 77 HB2 PRO 13 HB2 PRO 13 18.036 -18.269 -1.331 78 HB3 PRO 13 HB3 PRO 13 17.363 -18.832 -2.866 79 HG2 PRO 13 HG2 PRO 13 19.601 -16.905 -2.370 80 HG3 PRO 13 HG3 PRO 13 19.498 -18.218 -3.558 81 HD2 PRO 13 HD2 PRO 13 19.070 -15.625 -4.209 82 HD3 PRO 13 HD3 PRO 13 18.231 -16.963 -5.019 83 H LYS 14 H LYS 14 18.169 -14.794 -1.833 84 HA LYS 14 HA LYS 14 17.712 -14.812 1.043 85 HB2 LYS 14 HB2 LYS 14 19.434 -13.082 1.129 86 HB3 LYS 14 HB3 LYS 14 19.994 -14.472 0.210 87 HG2 LYS 14 HG2 LYS 14 19.263 -13.179 -1.863 88 HG3 LYS 14 HG3 LYS 14 19.167 -11.774 -0.800 89 HD2 LYS 14 HD2 LYS 14 21.323 -11.579 -1.565 90 HD3 LYS 14 HD3 LYS 14 21.584 -12.537 -0.105 91 HE2 LYS 14 HE2 LYS 14 22.840 -13.628 -1.749 92 HE3 LYS 14 HE3 LYS 14 21.361 -14.579 -1.627 93 HZ1 LYS 14 HZ1 LYS 14 22.248 -13.935 -3.939 94 HZ2 LYS 14 HZ2 LYS 14 21.573 -12.418 -3.617 95 HZ3 LYS 14 HZ3 LYS 14 20.589 -13.794 -3.639 96 H ASN 15 H ASN 15 17.035 -12.813 -1.780 97 HA ASN 15 HA ASN 15 15.254 -11.174 -0.099 98 HB2 ASN 15 HB2 ASN 15 15.646 -9.343 -1.789 99 HB3 ASN 15 HB3 ASN 15 17.048 -9.757 -0.807 100 HD21 ASN 15 HD21 ASN 15 15.810 -9.430 -3.932 101 HD22 ASN 15 HD22 ASN 15 17.168 -10.052 -4.800 102 H ASP 16 H ASP 16 13.887 -13.149 -0.784 103 HA ASP 16 HA ASP 16 12.844 -12.994 -3.487 104 HB2 ASP 16 HB2 ASP 16 13.016 -15.210 -2.720 105 HB3 ASP 16 HB3 ASP 16 12.339 -14.811 -1.143 106 H LYS 17 H LYS 17 11.463 -11.409 -3.933 107 HA LYS 17 HA LYS 17 9.338 -10.823 -1.977 108 HB2 LYS 17 HB2 LYS 17 10.845 -8.949 -3.798 109 HB3 LYS 17 HB3 LYS 17 9.319 -8.509 -3.040 110 HG2 LYS 17 HG2 LYS 17 10.738 -7.648 -1.501 111 HG3 LYS 17 HG3 LYS 17 10.612 -9.288 -0.860 112 HD2 LYS 17 HD2 LYS 17 12.728 -9.851 -1.508 113 HD3 LYS 17 HD3 LYS 17 12.710 -8.759 -2.895 114 HE2 LYS 17 HE2 LYS 17 12.908 -7.893 -0.012 115 HE3 LYS 17 HE3 LYS 17 14.276 -8.050 -1.113 116 HZ1 LYS 17 HZ1 LYS 17 12.139 -6.429 -2.152 117 HZ2 LYS 17 HZ2 LYS 17 13.800 -6.116 -2.087 118 HZ3 LYS 17 HZ3 LYS 17 12.826 -5.802 -0.740 119 H CYS 18 H CYS 18 8.693 -12.792 -3.554 120 HA CYS 18 HA CYS 18 7.229 -11.646 -5.835 121 HB2 CYS 18 HB2 CYS 18 7.834 -14.565 -5.335 122 HB3 CYS 18 HB3 CYS 18 7.207 -13.843 -6.814 123 H CYS 19 H CYS 19 5.063 -12.399 -6.235 124 HA CYS 19 HA CYS 19 3.353 -12.218 -4.078 125 HB2 CYS 19 HB2 CYS 19 3.071 -13.208 -6.876 126 HB3 CYS 19 HB3 CYS 19 1.766 -13.556 -5.747 127 HA PRO 20 HA PRO 20 3.184 -16.111 -2.063 128 HB2 PRO 20 HB2 PRO 20 0.536 -16.389 -1.538 129 HB3 PRO 20 HB3 PRO 20 1.566 -15.228 -0.693 130 HG2 PRO 20 HG2 PRO 20 -0.312 -14.780 -2.981 131 HG3 PRO 20 HG3 PRO 20 -0.062 -13.793 -1.529 132 HD2 PRO 20 HD2 PRO 20 1.031 -13.163 -3.925 133 HD3 PRO 20 HD3 PRO 20 1.829 -12.790 -2.385 134 H ASN 21 H ASN 21 1.995 -18.277 -2.062 135 HA ASN 21 HA ASN 21 1.392 -20.183 -3.148 136 HB2 ASN 21 HB2 ASN 21 0.174 -18.404 -5.264 137 HB3 ASN 21 HB3 ASN 21 -0.268 -20.062 -4.870 138 HD21 ASN 21 HD21 ASN 21 -1.413 -17.113 -4.705 139 HD22 ASN 21 HD22 ASN 21 -2.298 -17.169 -3.223 140 H TYR 22 H TYR 22 3.902 -18.714 -3.787 141 HA TYR 22 HA TYR 22 4.487 -20.099 -6.315 142 HB2 TYR 22 HB2 TYR 22 5.241 -17.288 -5.531 143 HB3 TYR 22 HB3 TYR 22 6.123 -18.178 -6.766 144 HD1 TYR 22 HD1 TYR 22 4.027 -19.562 -8.230 145 HD2 TYR 22 HD2 TYR 22 4.044 -15.626 -6.615 146 HE1 TYR 22 HE1 TYR 22 2.374 -18.870 -9.914 147 HE2 TYR 22 HE2 TYR 22 2.390 -14.924 -8.295 148 HH TYR 22 HH TYR 22 0.612 -16.046 -9.709 149 H LYS 23 H LYS 23 7.097 -19.858 -6.568 150 HA LYS 23 HA LYS 23 8.448 -20.303 -4.041 151 HB2 LYS 23 HB2 LYS 23 7.422 -22.512 -4.748 152 HB3 LYS 23 HB3 LYS 23 8.503 -22.476 -6.136 153 HG2 LYS 23 HG2 LYS 23 9.553 -23.835 -4.536 154 HG3 LYS 23 HG3 LYS 23 10.408 -22.291 -4.485 155 HD2 LYS 23 HD2 LYS 23 8.639 -21.758 -2.607 156 HD3 LYS 23 HD3 LYS 23 8.569 -23.518 -2.486 157 HE2 LYS 23 HE2 LYS 23 10.216 -22.957 -0.952 158 HE3 LYS 23 HE3 LYS 23 11.145 -23.382 -2.389 159 HZ1 LYS 23 HZ1 LYS 23 11.759 -21.256 -1.151 160 HZ2 LYS 23 HZ2 LYS 23 10.371 -20.585 -1.846 161 HZ3 LYS 23 HZ3 LYS 23 11.616 -21.166 -2.834 162 H CYS 24 H CYS 24 10.080 -18.916 -4.295 163 HA CYS 24 HA CYS 24 11.187 -18.085 -6.721 164 HB2 CYS 24 HB2 CYS 24 11.387 -16.973 -4.436 165 HB3 CYS 24 HB3 CYS 24 12.677 -18.123 -4.097 166 H SER 25 H SER 25 12.418 -19.124 -8.130 167 HA SER 25 HA SER 25 13.780 -21.573 -7.316 168 HB2 SER 25 HB2 SER 25 12.410 -21.719 -9.318 169 HB3 SER 25 HB3 SER 25 13.283 -20.374 -10.052 170 HG SER 25 HG SER 25 14.359 -22.025 -10.871 171 H SER 26 H SER 26 15.783 -21.369 -6.579 172 HA SER 26 HA SER 26 17.431 -19.111 -7.106 173 HB2 SER 26 HB2 SER 26 18.280 -21.786 -5.975 174 HB3 SER 26 HB3 SER 26 19.109 -20.241 -5.783 175 HG SER 26 HG SER 26 16.843 -19.665 -4.870 176 H LYS 27 H LYS 27 16.827 -21.998 -8.800 177 HA LYS 27 HA LYS 27 19.314 -22.422 -10.053 178 HB2 LYS 27 HB2 LYS 27 16.503 -23.237 -10.551 179 HB3 LYS 27 HB3 LYS 27 17.608 -23.341 -11.916 180 HG2 LYS 27 HG2 LYS 27 17.718 -25.449 -10.962 181 HG3 LYS 27 HG3 LYS 27 19.143 -24.634 -10.314 182 HD2 LYS 27 HD2 LYS 27 16.622 -24.444 -8.758 183 HD3 LYS 27 HD3 LYS 27 17.462 -25.998 -8.769 184 HE2 LYS 27 HE2 LYS 27 19.070 -23.551 -8.273 185 HE3 LYS 27 HE3 LYS 27 18.001 -24.104 -6.985 186 HZ1 LYS 27 HZ1 LYS 27 19.592 -25.526 -6.438 187 HZ2 LYS 27 HZ2 LYS 27 20.499 -25.165 -7.818 188 HZ3 LYS 27 HZ3 LYS 27 19.299 -26.356 -7.882 189 H ASP 28 H ASP 28 16.389 -20.848 -11.364 190 HA ASP 28 HA ASP 28 18.105 -19.436 -13.286 191 HB2 ASP 28 HB2 ASP 28 15.398 -20.552 -13.401 192 HB3 ASP 28 HB3 ASP 28 15.512 -18.919 -14.052 193 H LEU 29 H LEU 29 17.185 -18.867 -10.331 194 HA LEU 29 HA LEU 29 16.661 -17.055 -9.052 195 HB2 LEU 29 HB2 LEU 29 17.862 -15.623 -11.417 196 HB3 LEU 29 HB3 LEU 29 17.581 -14.908 -9.832 197 HG LEU 29 HG LEU 29 19.404 -17.266 -10.263 198 HD11 LEU 29 HD11 LEU 29 20.246 -14.386 -10.040 199 HD12 LEU 29 HD12 LEU 29 20.098 -15.239 -11.576 200 HD13 LEU 29 HD13 LEU 29 21.258 -15.793 -10.370 201 HD21 LEU 29 HD21 LEU 29 20.332 -16.018 -8.102 202 HD22 LEU 29 HD22 LEU 29 19.064 -17.241 -8.019 203 HD23 LEU 29 HD23 LEU 29 18.641 -15.529 -7.988 204 H TRP 30 H TRP 30 14.511 -18.020 -10.560 205 HA TRP 30 HA TRP 30 12.984 -15.538 -10.925 206 HB2 TRP 30 HB2 TRP 30 11.950 -16.297 -12.912 207 HB3 TRP 30 HB3 TRP 30 13.666 -16.631 -13.129 208 HD1 TRP 30 HD1 TRP 30 14.119 -19.368 -11.907 209 HE1 TRP 30 HE1 TRP 30 12.927 -21.483 -12.763 210 HE3 TRP 30 HE3 TRP 30 10.119 -17.169 -14.207 211 HZ2 TRP 30 HZ2 TRP 30 10.599 -22.131 -14.221 212 HZ3 TRP 30 HZ3 TRP 30 8.455 -18.607 -15.310 213 HH2 TRP 30 HH2 TRP 30 8.692 -21.037 -15.316 214 H CYS 31 H CYS 31 10.767 -15.672 -10.422 215 HA CYS 31 HA CYS 31 10.144 -17.473 -8.314 216 HB2 CYS 31 HB2 CYS 31 8.184 -15.744 -9.825 217 HB3 CYS 31 HB3 CYS 31 8.045 -16.335 -8.173 218 H LYS 32 H LYS 32 9.718 -19.552 -8.627 219 HA LYS 32 HA LYS 32 8.485 -20.450 -11.105 220 HB2 LYS 32 HB2 LYS 32 10.027 -21.703 -8.916 221 HB3 LYS 32 HB3 LYS 32 8.792 -22.715 -9.654 222 HG2 LYS 32 HG2 LYS 32 9.848 -22.046 -11.887 223 HG3 LYS 32 HG3 LYS 32 11.214 -21.486 -10.919 224 HD2 LYS 32 HD2 LYS 32 11.576 -23.676 -10.035 225 HD3 LYS 32 HD3 LYS 32 10.070 -24.269 -10.739 226 HE2 LYS 32 HE2 LYS 32 11.094 -23.633 -12.996 227 HE3 LYS 32 HE3 LYS 32 12.624 -23.513 -12.129 228 HZ1 LYS 32 HZ1 LYS 32 10.901 -25.928 -12.273 229 HZ2 LYS 32 HZ2 LYS 32 12.365 -25.815 -11.435 230 HZ3 LYS 32 HZ3 LYS 32 12.346 -25.693 -13.122 231 H TYR 33 H TYR 33 6.792 -22.229 -10.877 232 HA TYR 33 HA TYR 33 4.640 -21.173 -9.243 233 HB2 TYR 33 HB2 TYR 33 4.781 -23.245 -11.424 234 HB3 TYR 33 HB3 TYR 33 3.325 -23.015 -10.463 235 HD1 TYR 33 HD1 TYR 33 5.761 -21.032 -12.488 236 HD2 TYR 33 HD2 TYR 33 1.728 -21.532 -11.232 237 HE1 TYR 33 HE1 TYR 33 5.076 -19.201 -13.979 238 HE2 TYR 33 HE2 TYR 33 1.030 -19.703 -12.720 239 HH TYR 33 HH TYR 33 3.056 -18.419 -15.126 240 H LYS 34 H LYS 34 3.604 -22.233 -7.599 241 HA LYS 34 HA LYS 34 5.120 -24.272 -6.241 242 HB2 LYS 34 HB2 LYS 34 3.084 -22.345 -5.555 243 HB3 LYS 34 HB3 LYS 34 2.651 -23.934 -4.938 244 HG2 LYS 34 HG2 LYS 34 5.336 -22.666 -4.470 245 HG3 LYS 34 HG3 LYS 34 3.964 -22.475 -3.374 246 HD2 LYS 34 HD2 LYS 34 5.003 -25.172 -4.211 247 HD3 LYS 34 HD3 LYS 34 5.635 -24.307 -2.808 248 HE2 LYS 34 HE2 LYS 34 2.755 -25.095 -3.242 249 HE3 LYS 34 HE3 LYS 34 3.898 -25.922 -2.186 250 HZ1 LYS 34 HZ1 LYS 34 4.108 -23.489 -1.216 251 HZ2 LYS 34 HZ2 LYS 34 2.923 -24.568 -0.677 252 HZ3 LYS 34 HZ3 LYS 34 2.527 -23.374 -1.808 253 H ILE 35 H ILE 35 2.326 -24.121 -8.280 254 HA ILE 35 HA ILE 35 1.206 -26.637 -7.522 255 HB ILE 35 HB ILE 35 0.813 -25.071 -10.075 256 HG12 ILE 35 HG12 ILE 35 -0.990 -25.162 -7.657 257 HG13 ILE 35 HG13 ILE 35 0.230 -23.915 -7.889 258 HG21 ILE 35 HG21 ILE 35 -1.363 -26.368 -10.105 259 HG22 ILE 35 HG22 ILE 35 0.098 -27.281 -10.478 260 HG23 ILE 35 HG23 ILE 35 -0.643 -27.415 -8.883 261 HD11 ILE 35 HD11 ILE 35 -1.471 -24.237 -10.212 262 HD12 ILE 35 HD12 ILE 35 -2.377 -23.831 -8.753 263 HD13 ILE 35 HD13 ILE 35 -1.062 -22.787 -9.295 264 H TRP 36 H TRP 36 1.401 -28.629 -8.482 265 HA TRP 36 HA TRP 36 3.504 -28.896 -10.529 266 HB2 TRP 36 HB2 TRP 36 4.132 -31.047 -9.482 267 HB3 TRP 36 HB3 TRP 36 4.361 -29.684 -8.390 268 HD1 TRP 36 HD1 TRP 36 1.901 -32.601 -8.995 269 HE1 TRP 36 HE1 TRP 36 0.764 -33.166 -6.757 270 HE3 TRP 36 HE3 TRP 36 3.841 -28.841 -6.128 271 HZ2 TRP 36 HZ2 TRP 36 0.697 -32.151 -4.124 272 HZ3 TRP 36 HZ3 TRP 36 3.190 -28.708 -3.759 273 HH2 TRP 36 HH2 TRP 36 1.650 -30.329 -2.780 Start of MODEL 15 1 H SER 1 H SER 1 -0.694 -3.322 1.545 2 HA SER 1 HA SER 1 1.811 -3.089 0.063 3 HB2 SER 1 HB2 SER 1 2.461 -5.129 1.361 4 HB3 SER 1 HB3 SER 1 2.034 -3.753 2.378 5 HG SER 1 HG SER 1 1.099 -5.901 2.913 6 H GLU 2 H GLU 2 0.493 -3.322 -1.964 7 HA GLU 2 HA GLU 2 0.039 -6.169 -2.571 8 HB2 GLU 2 HB2 GLU 2 -1.439 -5.246 -4.442 9 HB3 GLU 2 HB3 GLU 2 -2.055 -5.127 -2.800 10 HG2 GLU 2 HG2 GLU 2 -2.514 -3.081 -3.933 11 HG3 GLU 2 HG3 GLU 2 -1.265 -2.781 -2.725 12 H ASP 3 H ASP 3 2.559 -4.702 -2.716 13 HA ASP 3 HA ASP 3 3.020 -4.651 -5.620 14 HB2 ASP 3 HB2 ASP 3 5.199 -3.512 -4.937 15 HB3 ASP 3 HB3 ASP 3 3.718 -2.593 -4.684 16 H CYS 4 H CYS 4 3.443 -6.723 -6.182 17 HA CYS 4 HA CYS 4 5.850 -7.926 -5.029 18 HB2 CYS 4 HB2 CYS 4 4.713 -10.167 -5.062 19 HB3 CYS 4 HB3 CYS 4 4.102 -9.055 -3.840 20 H LEU 5 H LEU 5 6.922 -9.413 -6.415 21 HA LEU 5 HA LEU 5 6.815 -8.706 -9.157 22 HB2 LEU 5 HB2 LEU 5 8.210 -11.008 -7.798 23 HB3 LEU 5 HB3 LEU 5 8.493 -10.486 -9.458 24 HG LEU 5 HG LEU 5 8.933 -8.610 -7.159 25 HD11 LEU 5 HD11 LEU 5 10.881 -10.644 -8.233 26 HD12 LEU 5 HD12 LEU 5 10.222 -10.572 -6.599 27 HD13 LEU 5 HD13 LEU 5 11.300 -9.299 -7.170 28 HD21 LEU 5 HD21 LEU 5 10.699 -7.826 -8.852 29 HD22 LEU 5 HD22 LEU 5 9.005 -7.474 -9.192 30 HD23 LEU 5 HD23 LEU 5 9.814 -8.807 -10.018 31 H GLY 6 H GLY 6 6.892 -10.647 -10.822 32 HA2 GLY 6 HA2 GLY 6 4.375 -12.133 -10.418 33 HA3 GLY 6 HA3 GLY 6 4.998 -11.627 -11.981 34 H TRP 7 H TRP 7 4.437 -14.026 -12.267 35 HA TRP 7 HA TRP 7 6.212 -15.961 -11.159 36 HB2 TRP 7 HB2 TRP 7 5.222 -17.491 -12.836 37 HB3 TRP 7 HB3 TRP 7 3.997 -16.613 -11.923 38 HD1 TRP 7 HD1 TRP 7 5.565 -16.782 -15.425 39 HE1 TRP 7 HE1 TRP 7 3.959 -15.655 -17.091 40 HE3 TRP 7 HE3 TRP 7 2.140 -14.921 -12.117 41 HZ2 TRP 7 HZ2 TRP 7 1.558 -14.172 -17.013 42 HZ3 TRP 7 HZ3 TRP 7 0.218 -13.660 -12.994 43 HH2 TRP 7 HH2 TRP 7 -0.064 -13.294 -15.392 44 H ALA 8 H ALA 8 6.204 -13.994 -14.054 45 HA ALA 8 HA ALA 8 8.610 -15.347 -15.038 46 HB1 ALA 8 HB1 ALA 8 8.070 -14.664 -17.128 47 HB2 ALA 8 HB2 ALA 8 6.455 -14.590 -16.425 48 HB3 ALA 8 HB3 ALA 8 7.418 -13.121 -16.577 49 H SER 9 H SER 9 8.866 -13.804 -12.689 50 HA SER 9 HA SER 9 10.436 -11.507 -13.662 51 HB2 SER 9 HB2 SER 9 8.681 -11.850 -11.274 52 HB3 SER 9 HB3 SER 9 10.110 -10.831 -11.107 53 HG SER 9 HG SER 9 7.918 -10.518 -12.862 54 H ARG 10 H ARG 10 12.249 -10.910 -12.113 55 HA ARG 10 HA ARG 10 13.736 -13.353 -11.501 56 HB2 ARG 10 HB2 ARG 10 14.632 -10.477 -11.756 57 HB3 ARG 10 HB3 ARG 10 15.698 -11.819 -11.360 58 HG2 ARG 10 HG2 ARG 10 14.053 -11.965 -13.838 59 HG3 ARG 10 HG3 ARG 10 15.495 -10.947 -13.814 60 HD2 ARG 10 HD2 ARG 10 16.772 -12.941 -12.990 61 HD3 ARG 10 HD3 ARG 10 15.328 -13.908 -13.289 62 HE ARG 10 HE ARG 10 15.802 -12.628 -15.655 63 HH11 ARG 10 HH11 ARG 10 17.644 -14.716 -13.565 64 HH12 ARG 10 HH12 ARG 10 18.579 -15.399 -14.854 65 HH21 ARG 10 HH21 ARG 10 17.025 -13.520 -17.361 66 HH22 ARG 10 HH22 ARG 10 18.226 -14.718 -17.013 67 H CYS 11 H CYS 11 14.940 -13.546 -9.526 68 HA CYS 11 HA CYS 11 14.616 -11.771 -7.347 69 HB2 CYS 11 HB2 CYS 11 13.097 -12.982 -5.950 70 HB3 CYS 11 HB3 CYS 11 12.299 -12.743 -7.502 71 H SER 12 H SER 12 15.447 -12.737 -5.289 72 HA SER 12 HA SER 12 17.366 -14.901 -5.859 73 HB2 SER 12 HB2 SER 12 17.742 -12.255 -4.535 74 HB3 SER 12 HB3 SER 12 18.664 -13.625 -3.915 75 HG SER 12 HG SER 12 19.097 -12.173 -6.122 76 HA PRO 13 HA PRO 13 15.892 -17.103 -2.363 77 HB2 PRO 13 HB2 PRO 13 18.173 -18.128 -1.310 78 HB3 PRO 13 HB3 PRO 13 17.471 -18.706 -2.825 79 HG2 PRO 13 HG2 PRO 13 19.731 -16.792 -2.395 80 HG3 PRO 13 HG3 PRO 13 19.596 -18.119 -3.563 81 HD2 PRO 13 HD2 PRO 13 19.178 -15.532 -4.244 82 HD3 PRO 13 HD3 PRO 13 18.314 -16.876 -5.019 83 H LYS 14 H LYS 14 18.376 -14.701 -1.843 84 HA LYS 14 HA LYS 14 18.043 -14.683 1.030 85 HB2 LYS 14 HB2 LYS 14 19.673 -12.883 1.017 86 HB3 LYS 14 HB3 LYS 14 20.232 -14.201 -0.005 87 HG2 LYS 14 HG2 LYS 14 19.082 -12.788 -1.898 88 HG3 LYS 14 HG3 LYS 14 19.330 -11.469 -0.752 89 HD2 LYS 14 HD2 LYS 14 21.727 -12.071 -0.637 90 HD3 LYS 14 HD3 LYS 14 21.448 -13.313 -1.860 91 HE2 LYS 14 HE2 LYS 14 20.730 -11.601 -3.443 92 HE3 LYS 14 HE3 LYS 14 20.969 -10.355 -2.220 93 HZ1 LYS 14 HZ1 LYS 14 22.807 -10.942 -3.999 94 HZ2 LYS 14 HZ2 LYS 14 23.239 -12.087 -2.833 95 HZ3 LYS 14 HZ3 LYS 14 23.209 -10.444 -2.433 96 H ASN 15 H ASN 15 17.007 -12.774 -1.736 97 HA ASN 15 HA ASN 15 15.187 -11.307 0.052 98 HB2 ASN 15 HB2 ASN 15 16.917 -10.228 -2.163 99 HB3 ASN 15 HB3 ASN 15 15.459 -9.385 -1.649 100 HD21 ASN 15 HD21 ASN 15 15.345 -9.265 0.872 101 HD22 ASN 15 HD22 ASN 15 16.782 -8.670 1.623 102 H ASP 16 H ASP 16 13.808 -13.160 -0.658 103 HA ASP 16 HA ASP 16 12.844 -13.018 -3.399 104 HB2 ASP 16 HB2 ASP 16 13.054 -15.239 -2.633 105 HB3 ASP 16 HB3 ASP 16 12.298 -14.866 -1.086 106 H LYS 17 H LYS 17 11.483 -11.403 -3.826 107 HA LYS 17 HA LYS 17 9.292 -10.900 -1.919 108 HB2 LYS 17 HB2 LYS 17 9.260 -8.567 -2.783 109 HB3 LYS 17 HB3 LYS 17 10.755 -8.983 -1.956 110 HG2 LYS 17 HG2 LYS 17 10.646 -9.326 -4.903 111 HG3 LYS 17 HG3 LYS 17 10.751 -7.689 -4.250 112 HD2 LYS 17 HD2 LYS 17 12.665 -8.805 -2.788 113 HD3 LYS 17 HD3 LYS 17 12.728 -9.907 -4.165 114 HE2 LYS 17 HE2 LYS 17 14.252 -8.266 -4.757 115 HE3 LYS 17 HE3 LYS 17 12.786 -7.745 -5.584 116 HZ1 LYS 17 HZ1 LYS 17 14.307 -6.330 -3.717 117 HZ2 LYS 17 HZ2 LYS 17 12.800 -6.636 -3.012 118 HZ3 LYS 17 HZ3 LYS 17 12.891 -5.836 -4.499 119 H CYS 18 H CYS 18 8.676 -12.840 -3.518 120 HA CYS 18 HA CYS 18 7.292 -11.688 -5.844 121 HB2 CYS 18 HB2 CYS 18 7.931 -14.590 -5.275 122 HB3 CYS 18 HB3 CYS 18 7.213 -13.952 -6.751 123 H CYS 19 H CYS 19 5.128 -12.411 -6.308 124 HA CYS 19 HA CYS 19 3.355 -12.191 -4.205 125 HB2 CYS 19 HB2 CYS 19 3.148 -13.178 -7.008 126 HB3 CYS 19 HB3 CYS 19 1.803 -13.518 -5.923 127 HA PRO 20 HA PRO 20 3.063 -16.072 -2.183 128 HB2 PRO 20 HB2 PRO 20 0.396 -16.305 -1.735 129 HB3 PRO 20 HB3 PRO 20 1.420 -15.157 -0.863 130 HG2 PRO 20 HG2 PRO 20 -0.382 -14.687 -3.207 131 HG3 PRO 20 HG3 PRO 20 -0.158 -13.698 -1.752 132 HD2 PRO 20 HD2 PRO 20 1.016 -13.096 -4.117 133 HD3 PRO 20 HD3 PRO 20 1.774 -12.730 -2.554 134 H ASN 21 H ASN 21 1.853 -18.221 -2.212 135 HA ASN 21 HA ASN 21 1.267 -20.125 -3.309 136 HB2 ASN 21 HB2 ASN 21 0.112 -18.451 -5.527 137 HB3 ASN 21 HB3 ASN 21 -0.436 -20.013 -4.926 138 HD21 ASN 21 HD21 ASN 21 -1.038 -16.774 -4.932 139 HD22 ASN 21 HD22 ASN 21 -2.043 -16.669 -3.530 140 H TYR 22 H TYR 22 3.796 -18.682 -3.905 141 HA TYR 22 HA TYR 22 4.411 -20.068 -6.423 142 HB2 TYR 22 HB2 TYR 22 5.170 -17.257 -5.644 143 HB3 TYR 22 HB3 TYR 22 6.044 -18.156 -6.879 144 HD1 TYR 22 HD1 TYR 22 3.979 -19.513 -8.371 145 HD2 TYR 22 HD2 TYR 22 3.944 -15.602 -6.696 146 HE1 TYR 22 HE1 TYR 22 2.329 -18.813 -10.056 147 HE2 TYR 22 HE2 TYR 22 2.292 -14.891 -8.375 148 HH TYR 22 HH TYR 22 0.723 -17.157 -10.483 149 H LYS 23 H LYS 23 7.018 -19.848 -6.648 150 HA LYS 23 HA LYS 23 8.340 -20.269 -4.101 151 HB2 LYS 23 HB2 LYS 23 7.254 -22.476 -5.085 152 HB3 LYS 23 HB3 LYS 23 8.693 -22.464 -6.095 153 HG2 LYS 23 HG2 LYS 23 8.729 -22.362 -3.086 154 HG3 LYS 23 HG3 LYS 23 8.912 -23.834 -4.044 155 HD2 LYS 23 HD2 LYS 23 10.902 -22.883 -5.113 156 HD3 LYS 23 HD3 LYS 23 10.718 -21.416 -4.150 157 HE2 LYS 23 HE2 LYS 23 11.203 -24.193 -3.077 158 HE3 LYS 23 HE3 LYS 23 12.403 -22.908 -3.196 159 HZ1 LYS 23 HZ1 LYS 23 10.433 -21.713 -1.814 160 HZ2 LYS 23 HZ2 LYS 23 11.778 -22.460 -1.111 161 HZ3 LYS 23 HZ3 LYS 23 10.316 -23.301 -1.243 162 H CYS 24 H CYS 24 9.979 -18.888 -4.348 163 HA CYS 24 HA CYS 24 11.116 -18.087 -6.771 164 HB2 CYS 24 HB2 CYS 24 11.287 -16.928 -4.520 165 HB3 CYS 24 HB3 CYS 24 12.546 -18.088 -4.112 166 H SER 25 H SER 25 12.441 -19.079 -8.131 167 HA SER 25 HA SER 25 13.765 -21.542 -7.276 168 HB2 SER 25 HB2 SER 25 12.446 -21.731 -9.299 169 HB3 SER 25 HB3 SER 25 13.295 -20.366 -10.025 170 HG SER 25 HG SER 25 13.966 -22.671 -10.528 171 H SER 26 H SER 26 15.754 -21.329 -6.505 172 HA SER 26 HA SER 26 17.406 -19.072 -7.015 173 HB2 SER 26 HB2 SER 26 18.373 -21.705 -5.908 174 HB3 SER 26 HB3 SER 26 18.988 -20.086 -5.573 175 HG SER 26 HG SER 26 17.084 -21.443 -4.285 176 H LYS 27 H LYS 27 16.804 -21.919 -8.745 177 HA LYS 27 HA LYS 27 19.325 -22.371 -9.934 178 HB2 LYS 27 HB2 LYS 27 16.517 -23.161 -10.512 179 HB3 LYS 27 HB3 LYS 27 17.678 -23.301 -11.827 180 HG2 LYS 27 HG2 LYS 27 17.549 -25.403 -10.711 181 HG3 LYS 27 HG3 LYS 27 19.112 -24.675 -10.332 182 HD2 LYS 27 HD2 LYS 27 18.084 -23.826 -8.201 183 HD3 LYS 27 HD3 LYS 27 16.669 -24.814 -8.573 184 HE2 LYS 27 HE2 LYS 27 17.983 -26.822 -8.500 185 HE3 LYS 27 HE3 LYS 27 19.473 -25.894 -8.336 186 HZ1 LYS 27 HZ1 LYS 27 17.464 -25.369 -6.318 187 HZ2 LYS 27 HZ2 LYS 27 19.134 -25.579 -6.154 188 HZ3 LYS 27 HZ3 LYS 27 18.121 -26.927 -6.279 189 H ASP 28 H ASP 28 16.433 -20.785 -11.300 190 HA ASP 28 HA ASP 28 18.198 -19.364 -13.173 191 HB2 ASP 28 HB2 ASP 28 15.549 -20.557 -13.410 192 HB3 ASP 28 HB3 ASP 28 15.588 -18.894 -13.989 193 H LEU 29 H LEU 29 17.183 -18.805 -10.255 194 HA LEU 29 HA LEU 29 16.594 -17.001 -8.994 195 HB2 LEU 29 HB2 LEU 29 17.760 -15.462 -11.308 196 HB3 LEU 29 HB3 LEU 29 17.559 -14.883 -9.655 197 HG LEU 29 HG LEU 29 19.361 -17.182 -10.400 198 HD11 LEU 29 HD11 LEU 29 19.779 -14.263 -10.554 199 HD12 LEU 29 HD12 LEU 29 20.555 -15.574 -11.444 200 HD13 LEU 29 HD13 LEU 29 21.064 -15.204 -9.796 201 HD21 LEU 29 HD21 LEU 29 19.504 -17.441 -8.201 202 HD22 LEU 29 HD22 LEU 29 18.456 -16.048 -7.928 203 HD23 LEU 29 HD23 LEU 29 20.199 -15.823 -8.088 204 H TRP 30 H TRP 30 14.491 -17.997 -10.516 205 HA TRP 30 HA TRP 30 12.946 -15.538 -10.963 206 HB2 TRP 30 HB2 TRP 30 11.943 -16.369 -12.946 207 HB3 TRP 30 HB3 TRP 30 13.673 -16.648 -13.134 208 HD1 TRP 30 HD1 TRP 30 14.223 -19.345 -11.897 209 HE1 TRP 30 HE1 TRP 30 13.104 -21.513 -12.717 210 HE3 TRP 30 HE3 TRP 30 10.125 -17.327 -14.194 211 HZ2 TRP 30 HZ2 TRP 30 10.791 -22.268 -14.147 212 HZ3 TRP 30 HZ3 TRP 30 8.508 -18.841 -15.263 213 HH2 TRP 30 HH2 TRP 30 8.836 -21.261 -15.240 214 H CYS 31 H CYS 31 10.731 -15.676 -10.482 215 HA CYS 31 HA CYS 31 10.085 -17.460 -8.362 216 HB2 CYS 31 HB2 CYS 31 8.145 -15.737 -9.906 217 HB3 CYS 31 HB3 CYS 31 7.985 -16.318 -8.252 218 H LYS 32 H LYS 32 9.675 -19.542 -8.678 219 HA LYS 32 HA LYS 32 8.454 -20.450 -11.159 220 HB2 LYS 32 HB2 LYS 32 9.983 -21.698 -8.954 221 HB3 LYS 32 HB3 LYS 32 8.764 -22.713 -9.715 222 HG2 LYS 32 HG2 LYS 32 9.807 -22.213 -11.914 223 HG3 LYS 32 HG3 LYS 32 11.091 -21.356 -11.058 224 HD2 LYS 32 HD2 LYS 32 12.026 -23.449 -11.321 225 HD3 LYS 32 HD3 LYS 32 11.298 -23.587 -9.719 226 HE2 LYS 32 HE2 LYS 32 9.386 -24.732 -10.637 227 HE3 LYS 32 HE3 LYS 32 9.974 -24.476 -12.279 228 HZ1 LYS 32 HZ1 LYS 32 10.462 -26.655 -10.701 229 HZ2 LYS 32 HZ2 LYS 32 11.913 -25.786 -10.647 230 HZ3 LYS 32 HZ3 LYS 32 11.266 -26.261 -12.137 231 H TYR 33 H TYR 33 6.743 -22.187 -10.971 232 HA TYR 33 HA TYR 33 4.574 -21.139 -9.380 233 HB2 TYR 33 HB2 TYR 33 4.504 -23.593 -11.134 234 HB3 TYR 33 HB3 TYR 33 3.154 -22.576 -10.642 235 HD1 TYR 33 HD1 TYR 33 5.819 -23.059 -13.040 236 HD2 TYR 33 HD2 TYR 33 2.918 -20.291 -11.613 237 HE1 TYR 33 HE1 TYR 33 6.073 -21.739 -15.101 238 HE2 TYR 33 HE2 TYR 33 3.163 -18.965 -13.670 239 HH TYR 33 HH TYR 33 5.354 -18.787 -15.495 240 H LYS 34 H LYS 34 3.963 -21.853 -7.455 241 HA LYS 34 HA LYS 34 5.349 -23.902 -6.090 242 HB2 LYS 34 HB2 LYS 34 3.872 -21.829 -5.267 243 HB3 LYS 34 HB3 LYS 34 2.649 -23.087 -5.146 244 HG2 LYS 34 HG2 LYS 34 4.259 -24.396 -3.748 245 HG3 LYS 34 HG3 LYS 34 5.304 -22.973 -3.738 246 HD2 LYS 34 HD2 LYS 34 4.081 -22.786 -1.757 247 HD3 LYS 34 HD3 LYS 34 3.237 -21.713 -2.877 248 HE2 LYS 34 HE2 LYS 34 1.530 -22.919 -1.823 249 HE3 LYS 34 HE3 LYS 34 1.734 -23.717 -3.382 250 HZ1 LYS 34 HZ1 LYS 34 3.279 -24.732 -1.115 251 HZ2 LYS 34 HZ2 LYS 34 2.613 -25.565 -2.428 252 HZ3 LYS 34 HZ3 LYS 34 1.621 -25.070 -1.150 253 H ILE 35 H ILE 35 2.488 -23.886 -8.052 254 HA ILE 35 HA ILE 35 1.343 -26.306 -7.128 255 HB ILE 35 HB ILE 35 0.163 -26.320 -9.344 256 HG12 ILE 35 HG12 ILE 35 1.439 -23.625 -9.782 257 HG13 ILE 35 HG13 ILE 35 2.115 -25.093 -10.479 258 HG21 ILE 35 HG21 ILE 35 -0.136 -23.577 -8.244 259 HG22 ILE 35 HG22 ILE 35 -1.363 -24.785 -8.625 260 HG23 ILE 35 HG23 ILE 35 -0.399 -24.942 -7.157 261 HD11 ILE 35 HD11 ILE 35 -0.118 -25.484 -11.553 262 HD12 ILE 35 HD12 ILE 35 -0.567 -23.862 -11.025 263 HD13 ILE 35 HD13 ILE 35 0.779 -24.085 -12.142 264 H TRP 36 H TRP 36 1.132 -28.279 -8.506 265 HA TRP 36 HA TRP 36 3.376 -28.841 -10.260 266 HB2 TRP 36 HB2 TRP 36 4.255 -30.671 -9.013 267 HB3 TRP 36 HB3 TRP 36 4.136 -29.317 -7.892 268 HD1 TRP 36 HD1 TRP 36 1.554 -29.398 -6.516 269 HE1 TRP 36 HE1 TRP 36 0.598 -31.448 -5.288 270 HE3 TRP 36 HE3 TRP 36 4.275 -33.064 -8.815 271 HZ2 TRP 36 HZ2 TRP 36 0.952 -34.247 -5.291 272 HZ3 TRP 36 HZ3 TRP 36 3.907 -35.403 -8.145 273 HH2 TRP 36 HH2 TRP 36 2.279 -35.980 -6.418 Start of MODEL 16 1 H SER 1 H SER 1 -4.703 -2.881 -4.466 2 HA SER 1 HA SER 1 -3.889 -5.417 -5.686 3 HB2 SER 1 HB2 SER 1 -3.162 -2.544 -6.255 4 HB3 SER 1 HB3 SER 1 -2.290 -3.897 -6.975 5 HG SER 1 HG SER 1 -3.923 -4.264 -8.261 6 H GLU 2 H GLU 2 -1.965 -6.395 -5.263 7 HA GLU 2 HA GLU 2 -0.496 -5.394 -2.938 8 HB2 GLU 2 HB2 GLU 2 -0.902 -8.073 -4.175 9 HB3 GLU 2 HB3 GLU 2 0.603 -7.792 -3.312 10 HG2 GLU 2 HG2 GLU 2 -2.165 -7.459 -2.179 11 HG3 GLU 2 HG3 GLU 2 -1.079 -8.815 -1.881 12 H ASP 3 H ASP 3 1.520 -4.630 -3.061 13 HA ASP 3 HA ASP 3 2.741 -4.341 -5.667 14 HB2 ASP 3 HB2 ASP 3 3.907 -3.457 -3.028 15 HB3 ASP 3 HB3 ASP 3 4.240 -2.812 -4.633 16 H CYS 4 H CYS 4 3.461 -6.351 -6.294 17 HA CYS 4 HA CYS 4 5.871 -7.280 -4.945 18 HB2 CYS 4 HB2 CYS 4 5.049 -9.669 -5.125 19 HB3 CYS 4 HB3 CYS 4 4.275 -8.690 -3.882 20 H LEU 5 H LEU 5 6.650 -9.352 -6.313 21 HA LEU 5 HA LEU 5 6.949 -8.335 -9.017 22 HB2 LEU 5 HB2 LEU 5 8.222 -10.743 -7.727 23 HB3 LEU 5 HB3 LEU 5 8.693 -9.995 -9.252 24 HG LEU 5 HG LEU 5 8.819 -8.440 -6.695 25 HD11 LEU 5 HD11 LEU 5 10.945 -9.236 -6.166 26 HD12 LEU 5 HD12 LEU 5 11.141 -10.029 -7.728 27 HD13 LEU 5 HD13 LEU 5 10.027 -10.695 -6.534 28 HD21 LEU 5 HD21 LEU 5 10.760 -8.239 -8.935 29 HD22 LEU 5 HD22 LEU 5 10.130 -6.985 -7.865 30 HD23 LEU 5 HD23 LEU 5 9.134 -7.604 -9.184 31 H GLY 6 H GLY 6 6.796 -9.802 -10.880 32 HA2 GLY 6 HA2 GLY 6 4.326 -11.310 -10.751 33 HA3 GLY 6 HA3 GLY 6 5.259 -10.952 -12.197 34 H TRP 7 H TRP 7 4.270 -13.399 -12.099 35 HA TRP 7 HA TRP 7 5.832 -15.331 -10.752 36 HB2 TRP 7 HB2 TRP 7 4.726 -16.961 -12.154 37 HB3 TRP 7 HB3 TRP 7 3.551 -15.742 -11.666 38 HD1 TRP 7 HD1 TRP 7 5.433 -17.030 -14.738 39 HE1 TRP 7 HE1 TRP 7 4.298 -16.094 -16.850 40 HE3 TRP 7 HE3 TRP 7 2.155 -13.787 -12.529 41 HZ2 TRP 7 HZ2 TRP 7 2.281 -14.227 -17.494 42 HZ3 TRP 7 HZ3 TRP 7 0.657 -12.463 -13.965 43 HH2 TRP 7 HH2 TRP 7 0.721 -12.680 -16.396 44 H ALA 8 H ALA 8 6.140 -13.741 -13.859 45 HA ALA 8 HA ALA 8 8.421 -15.422 -14.576 46 HB1 ALA 8 HB1 ALA 8 7.081 -15.150 -16.442 47 HB2 ALA 8 HB2 ALA 8 6.728 -13.462 -16.072 48 HB3 ALA 8 HB3 ALA 8 8.318 -13.917 -16.684 49 H SER 9 H SER 9 8.442 -13.403 -12.372 50 HA SER 9 HA SER 9 10.365 -11.447 -13.392 51 HB2 SER 9 HB2 SER 9 8.393 -10.833 -11.859 52 HB3 SER 9 HB3 SER 9 9.326 -11.585 -10.566 53 HG SER 9 HG SER 9 9.540 -9.145 -11.325 54 H ARG 10 H ARG 10 12.262 -10.975 -11.926 55 HA ARG 10 HA ARG 10 13.545 -13.517 -11.249 56 HB2 ARG 10 HB2 ARG 10 15.646 -12.332 -11.413 57 HB3 ARG 10 HB3 ARG 10 14.679 -11.991 -12.842 58 HG2 ARG 10 HG2 ARG 10 15.387 -9.890 -12.381 59 HG3 ARG 10 HG3 ARG 10 13.934 -9.911 -11.379 60 HD2 ARG 10 HD2 ARG 10 15.123 -10.080 -9.422 61 HD3 ARG 10 HD3 ARG 10 16.501 -10.855 -10.202 62 HE ARG 10 HE ARG 10 16.272 -8.226 -11.158 63 HH11 ARG 10 HH11 ARG 10 17.084 -9.954 -8.247 64 HH12 ARG 10 HH12 ARG 10 18.145 -8.719 -7.655 65 HH21 ARG 10 HH21 ARG 10 17.666 -6.594 -10.388 66 HH22 ARG 10 HH22 ARG 10 18.475 -6.808 -8.872 67 H CYS 11 H CYS 11 14.838 -13.692 -9.316 68 HA CYS 11 HA CYS 11 14.780 -11.794 -7.232 69 HB2 CYS 11 HB2 CYS 11 13.199 -12.772 -5.706 70 HB3 CYS 11 HB3 CYS 11 12.369 -12.468 -7.228 71 H SER 12 H SER 12 15.932 -12.478 -5.384 72 HA SER 12 HA SER 12 17.547 -14.875 -5.864 73 HB2 SER 12 HB2 SER 12 18.000 -12.295 -4.441 74 HB3 SER 12 HB3 SER 12 18.843 -13.720 -3.836 75 HG SER 12 HG SER 12 20.190 -13.397 -5.403 76 HA PRO 13 HA PRO 13 15.917 -17.153 -2.490 77 HB2 PRO 13 HB2 PRO 13 18.134 -18.310 -1.435 78 HB3 PRO 13 HB3 PRO 13 17.440 -18.799 -2.986 79 HG2 PRO 13 HG2 PRO 13 19.765 -16.995 -2.436 80 HG3 PRO 13 HG3 PRO 13 19.602 -18.268 -3.659 81 HD2 PRO 13 HD2 PRO 13 19.299 -15.641 -4.242 82 HD3 PRO 13 HD3 PRO 13 18.400 -16.918 -5.087 83 H LYS 14 H LYS 14 18.498 -14.892 -1.818 84 HA LYS 14 HA LYS 14 18.132 -14.976 1.041 85 HB2 LYS 14 HB2 LYS 14 19.728 -13.146 -0.756 86 HB3 LYS 14 HB3 LYS 14 19.700 -13.004 0.997 87 HG2 LYS 14 HG2 LYS 14 20.532 -15.363 1.110 88 HG3 LYS 14 HG3 LYS 14 20.749 -15.299 -0.640 89 HD2 LYS 14 HD2 LYS 14 21.968 -13.231 1.162 90 HD3 LYS 14 HD3 LYS 14 22.773 -14.773 0.858 91 HE2 LYS 14 HE2 LYS 14 22.680 -14.308 -1.562 92 HE3 LYS 14 HE3 LYS 14 21.944 -12.744 -1.216 93 HZ1 LYS 14 HZ1 LYS 14 24.581 -13.159 -1.483 94 HZ2 LYS 14 HZ2 LYS 14 24.411 -13.247 0.198 95 HZ3 LYS 14 HZ3 LYS 14 23.901 -11.864 -0.632 96 H ASN 15 H ASN 15 17.174 -12.887 -1.631 97 HA ASN 15 HA ASN 15 15.301 -11.542 0.193 98 HB2 ASN 15 HB2 ASN 15 15.726 -9.496 -1.402 99 HB3 ASN 15 HB3 ASN 15 16.816 -9.812 -0.056 100 HD21 ASN 15 HD21 ASN 15 18.857 -10.700 -0.470 101 HD22 ASN 15 HD22 ASN 15 19.574 -10.622 -2.040 102 H ASP 16 H ASP 16 13.879 -13.217 -0.738 103 HA ASP 16 HA ASP 16 13.072 -12.724 -3.507 104 HB2 ASP 16 HB2 ASP 16 13.316 -15.032 -3.134 105 HB3 ASP 16 HB3 ASP 16 12.544 -14.949 -1.553 106 H LYS 17 H LYS 17 11.647 -11.131 -3.742 107 HA LYS 17 HA LYS 17 9.455 -10.915 -1.784 108 HB2 LYS 17 HB2 LYS 17 10.587 -8.750 -3.567 109 HB3 LYS 17 HB3 LYS 17 9.293 -8.550 -2.393 110 HG2 LYS 17 HG2 LYS 17 11.014 -7.785 -1.141 111 HG3 LYS 17 HG3 LYS 17 11.156 -9.501 -0.756 112 HD2 LYS 17 HD2 LYS 17 13.047 -9.766 -2.013 113 HD3 LYS 17 HD3 LYS 17 12.607 -8.482 -3.141 114 HE2 LYS 17 HE2 LYS 17 13.552 -8.080 -0.305 115 HE3 LYS 17 HE3 LYS 17 14.538 -7.874 -1.751 116 HZ1 LYS 17 HZ1 LYS 17 13.819 -5.799 -1.870 117 HZ2 LYS 17 HZ2 LYS 17 12.807 -6.024 -0.533 118 HZ3 LYS 17 HZ3 LYS 17 12.234 -6.350 -2.091 119 H CYS 18 H CYS 18 8.930 -12.789 -3.526 120 HA CYS 18 HA CYS 18 7.463 -11.597 -5.770 121 HB2 CYS 18 HB2 CYS 18 9.096 -13.798 -5.686 122 HB3 CYS 18 HB3 CYS 18 7.499 -14.527 -5.549 123 H CYS 19 H CYS 19 5.289 -12.293 -6.220 124 HA CYS 19 HA CYS 19 3.541 -12.077 -4.087 125 HB2 CYS 19 HB2 CYS 19 3.297 -12.957 -6.915 126 HB3 CYS 19 HB3 CYS 19 1.965 -13.362 -5.835 127 HA PRO 20 HA PRO 20 3.204 -16.000 -2.155 128 HB2 PRO 20 HB2 PRO 20 0.537 -16.197 -1.683 129 HB3 PRO 20 HB3 PRO 20 1.591 -15.089 -0.796 130 HG2 PRO 20 HG2 PRO 20 -0.227 -14.532 -3.109 131 HG3 PRO 20 HG3 PRO 20 0.028 -13.582 -1.633 132 HD2 PRO 20 HD2 PRO 20 1.187 -12.944 -3.996 133 HD3 PRO 20 HD3 PRO 20 1.968 -12.628 -2.433 134 H ASN 21 H ASN 21 1.925 -18.120 -2.216 135 HA ASN 21 HA ASN 21 1.278 -19.982 -3.350 136 HB2 ASN 21 HB2 ASN 21 0.187 -18.155 -5.490 137 HB3 ASN 21 HB3 ASN 21 -0.358 -19.776 -5.067 138 HD21 ASN 21 HD21 ASN 21 -0.599 -16.430 -4.414 139 HD22 ASN 21 HD22 ASN 21 -1.793 -16.528 -3.168 140 H TYR 22 H TYR 22 3.860 -18.622 -3.894 141 HA TYR 22 HA TYR 22 4.462 -20.006 -6.414 142 HB2 TYR 22 HB2 TYR 22 5.314 -17.215 -5.639 143 HB3 TYR 22 HB3 TYR 22 6.100 -18.137 -6.915 144 HD1 TYR 22 HD1 TYR 22 3.875 -19.411 -8.289 145 HD2 TYR 22 HD2 TYR 22 4.160 -15.488 -6.667 146 HE1 TYR 22 HE1 TYR 22 2.187 -18.630 -9.899 147 HE2 TYR 22 HE2 TYR 22 2.473 -14.695 -8.271 148 HH TYR 22 HH TYR 22 0.442 -16.596 -9.892 149 H LYS 23 H LYS 23 7.055 -19.880 -6.638 150 HA LYS 23 HA LYS 23 8.368 -20.287 -4.079 151 HB2 LYS 23 HB2 LYS 23 7.242 -22.481 -4.996 152 HB3 LYS 23 HB3 LYS 23 8.637 -22.506 -6.068 153 HG2 LYS 23 HG2 LYS 23 8.849 -22.334 -3.073 154 HG3 LYS 23 HG3 LYS 23 8.870 -23.852 -3.973 155 HD2 LYS 23 HD2 LYS 23 10.823 -23.012 -5.249 156 HD3 LYS 23 HD3 LYS 23 10.828 -21.570 -4.232 157 HE2 LYS 23 HE2 LYS 23 12.415 -22.944 -3.229 158 HE3 LYS 23 HE3 LYS 23 10.966 -23.222 -2.263 159 HZ1 LYS 23 HZ1 LYS 23 10.874 -25.347 -2.890 160 HZ2 LYS 23 HZ2 LYS 23 12.478 -25.153 -3.388 161 HZ3 LYS 23 HZ3 LYS 23 11.221 -25.002 -4.510 162 H CYS 24 H CYS 24 10.035 -18.942 -4.337 163 HA CYS 24 HA CYS 24 11.190 -18.152 -6.741 164 HB2 CYS 24 HB2 CYS 24 11.432 -17.231 -4.285 165 HB3 CYS 24 HB3 CYS 24 12.854 -18.268 -4.257 166 H SER 25 H SER 25 12.597 -19.054 -8.101 167 HA SER 25 HA SER 25 13.816 -21.611 -7.326 168 HB2 SER 25 HB2 SER 25 12.433 -21.773 -9.302 169 HB3 SER 25 HB3 SER 25 13.266 -20.410 -10.049 170 HG SER 25 HG SER 25 13.898 -22.713 -10.600 171 H SER 26 H SER 26 15.841 -21.465 -6.643 172 HA SER 26 HA SER 26 17.520 -19.233 -7.176 173 HB2 SER 26 HB2 SER 26 18.484 -21.903 -6.163 174 HB3 SER 26 HB3 SER 26 19.130 -20.301 -5.812 175 HG SER 26 HG SER 26 16.850 -20.002 -4.903 176 H LYS 27 H LYS 27 16.771 -22.004 -8.954 177 HA LYS 27 HA LYS 27 19.240 -22.494 -10.246 178 HB2 LYS 27 HB2 LYS 27 16.385 -23.180 -10.777 179 HB3 LYS 27 HB3 LYS 27 17.542 -23.379 -12.085 180 HG2 LYS 27 HG2 LYS 27 17.566 -25.462 -11.126 181 HG3 LYS 27 HG3 LYS 27 18.921 -24.683 -10.304 182 HD2 LYS 27 HD2 LYS 27 17.760 -24.467 -8.318 183 HD3 LYS 27 HD3 LYS 27 16.185 -24.533 -9.110 184 HE2 LYS 27 HE2 LYS 27 17.971 -26.919 -9.212 185 HE3 LYS 27 HE3 LYS 27 17.082 -26.574 -7.729 186 HZ1 LYS 27 HZ1 LYS 27 15.377 -27.609 -8.670 187 HZ2 LYS 27 HZ2 LYS 27 16.137 -27.673 -10.179 188 HZ3 LYS 27 HZ3 LYS 27 15.240 -26.308 -9.742 189 H ASP 28 H ASP 28 16.332 -20.815 -11.460 190 HA ASP 28 HA ASP 28 18.058 -19.384 -13.363 191 HB2 ASP 28 HB2 ASP 28 15.347 -20.489 -13.516 192 HB3 ASP 28 HB3 ASP 28 15.470 -18.842 -14.131 193 H LEU 29 H LEU 29 17.152 -18.874 -10.402 194 HA LEU 29 HA LEU 29 16.631 -17.092 -9.083 195 HB2 LEU 29 HB2 LEU 29 17.763 -15.548 -11.411 196 HB3 LEU 29 HB3 LEU 29 17.581 -14.956 -9.761 197 HG LEU 29 HG LEU 29 19.399 -17.215 -10.599 198 HD11 LEU 29 HD11 LEU 29 21.119 -15.389 -9.859 199 HD12 LEU 29 HD12 LEU 29 19.821 -14.280 -10.297 200 HD13 LEU 29 HD13 LEU 29 20.469 -15.396 -11.498 201 HD21 LEU 29 HD21 LEU 29 18.848 -15.850 -7.983 202 HD22 LEU 29 HD22 LEU 29 20.367 -16.691 -8.292 203 HD23 LEU 29 HD23 LEU 29 18.840 -17.573 -8.353 204 H TRP 30 H TRP 30 14.473 -18.029 -10.594 205 HA TRP 30 HA TRP 30 12.938 -15.543 -10.901 206 HB2 TRP 30 HB2 TRP 30 11.888 -16.272 -12.893 207 HB3 TRP 30 HB3 TRP 30 13.605 -16.589 -13.130 208 HD1 TRP 30 HD1 TRP 30 14.092 -19.346 -11.975 209 HE1 TRP 30 HE1 TRP 30 12.904 -21.452 -12.858 210 HE3 TRP 30 HE3 TRP 30 10.044 -17.131 -14.175 211 HZ2 TRP 30 HZ2 TRP 30 10.563 -22.090 -14.297 212 HZ3 TRP 30 HZ3 TRP 30 8.376 -18.561 -15.285 213 HH2 TRP 30 HH2 TRP 30 8.632 -20.988 -15.344 214 H CYS 31 H CYS 31 10.677 -15.741 -10.486 215 HA CYS 31 HA CYS 31 10.080 -17.535 -8.357 216 HB2 CYS 31 HB2 CYS 31 8.100 -15.853 -9.897 217 HB3 CYS 31 HB3 CYS 31 7.955 -16.441 -8.243 218 H LYS 32 H LYS 32 9.596 -19.606 -8.601 219 HA LYS 32 HA LYS 32 8.411 -20.536 -11.106 220 HB2 LYS 32 HB2 LYS 32 10.008 -21.766 -8.935 221 HB3 LYS 32 HB3 LYS 32 8.807 -22.802 -9.695 222 HG2 LYS 32 HG2 LYS 32 9.833 -22.105 -11.913 223 HG3 LYS 32 HG3 LYS 32 11.164 -21.445 -10.961 224 HD2 LYS 32 HD2 LYS 32 11.965 -23.551 -11.370 225 HD3 LYS 32 HD3 LYS 32 11.110 -23.836 -9.853 226 HE2 LYS 32 HE2 LYS 32 9.145 -24.593 -11.141 227 HE3 LYS 32 HE3 LYS 32 10.060 -24.368 -12.631 228 HZ1 LYS 32 HZ1 LYS 32 11.170 -26.267 -12.323 229 HZ2 LYS 32 HZ2 LYS 32 9.938 -26.664 -11.234 230 HZ3 LYS 32 HZ3 LYS 32 11.389 -26.006 -10.665 231 H TYR 33 H TYR 33 6.739 -22.300 -10.909 232 HA TYR 33 HA TYR 33 4.579 -21.322 -9.269 233 HB2 TYR 33 HB2 TYR 33 4.570 -22.345 -11.725 234 HB3 TYR 33 HB3 TYR 33 4.323 -23.845 -10.837 235 HD1 TYR 33 HD1 TYR 33 3.022 -20.353 -10.474 236 HD2 TYR 33 HD2 TYR 33 2.114 -24.491 -10.869 237 HE1 TYR 33 HE1 TYR 33 0.624 -19.839 -10.288 238 HE2 TYR 33 HE2 TYR 33 -0.286 -23.988 -10.685 239 HH TYR 33 HH TYR 33 -1.500 -20.753 -10.787 240 H LYS 34 H LYS 34 3.658 -22.290 -7.526 241 HA LYS 34 HA LYS 34 5.238 -24.163 -6.055 242 HB2 LYS 34 HB2 LYS 34 3.023 -22.398 -5.544 243 HB3 LYS 34 HB3 LYS 34 2.672 -23.993 -4.891 244 HG2 LYS 34 HG2 LYS 34 5.189 -23.684 -4.008 245 HG3 LYS 34 HG3 LYS 34 4.670 -21.997 -4.055 246 HD2 LYS 34 HD2 LYS 34 2.840 -22.440 -2.594 247 HD3 LYS 34 HD3 LYS 34 3.083 -24.184 -2.720 248 HE2 LYS 34 HE2 LYS 34 5.163 -24.035 -1.530 249 HE3 LYS 34 HE3 LYS 34 5.098 -22.274 -1.547 250 HZ1 LYS 34 HZ1 LYS 34 2.761 -23.434 -0.380 251 HZ2 LYS 34 HZ2 LYS 34 3.803 -22.255 0.242 252 HZ3 LYS 34 HZ3 LYS 34 4.169 -23.895 0.438 253 H ILE 35 H ILE 35 2.533 -24.389 -8.205 254 HA ILE 35 HA ILE 35 2.013 -27.161 -7.420 255 HB ILE 35 HB ILE 35 0.542 -25.540 -9.496 256 HG12 ILE 35 HG12 ILE 35 0.393 -24.408 -7.332 257 HG13 ILE 35 HG13 ILE 35 -1.154 -25.137 -7.754 258 HG21 ILE 35 HG21 ILE 35 0.168 -28.207 -8.234 259 HG22 ILE 35 HG22 ILE 35 -1.262 -27.272 -8.669 260 HG23 ILE 35 HG23 ILE 35 -0.081 -27.701 -9.906 261 HD11 ILE 35 HD11 ILE 35 -1.143 -26.027 -5.727 262 HD12 ILE 35 HD12 ILE 35 0.140 -27.097 -6.295 263 HD13 ILE 35 HD13 ILE 35 0.547 -25.594 -5.467 264 H TRP 36 H TRP 36 2.094 -28.875 -8.910 265 HA TRP 36 HA TRP 36 4.047 -28.461 -11.046 266 HB2 TRP 36 HB2 TRP 36 2.973 -30.985 -9.772 267 HB3 TRP 36 HB3 TRP 36 4.149 -30.959 -11.083 268 HD1 TRP 36 HD1 TRP 36 3.835 -29.698 -7.429 269 HE1 TRP 36 HE1 TRP 36 6.184 -29.725 -6.378 270 HE3 TRP 36 HE3 TRP 36 6.542 -31.113 -11.529 271 HZ2 TRP 36 HZ2 TRP 36 8.834 -30.273 -7.181 272 HZ3 TRP 36 HZ3 TRP 36 8.979 -31.366 -11.303 273 HH2 TRP 36 HH2 TRP 36 10.100 -30.954 -9.173 Start of MODEL 17 1 H SER 1 H SER 1 -3.414 -5.949 -4.345 2 HA SER 1 HA SER 1 -3.699 -3.035 -4.019 3 HB2 SER 1 HB2 SER 1 -4.279 -5.332 -2.178 4 HB3 SER 1 HB3 SER 1 -3.880 -3.750 -1.506 5 HG SER 1 HG SER 1 -6.185 -4.235 -1.931 6 H GLU 2 H GLU 2 -1.838 -5.843 -2.875 7 HA GLU 2 HA GLU 2 0.225 -4.195 -1.741 8 HB2 GLU 2 HB2 GLU 2 -0.179 -7.141 -2.102 9 HB3 GLU 2 HB3 GLU 2 1.411 -6.528 -1.674 10 HG2 GLU 2 HG2 GLU 2 0.519 -6.996 0.385 11 HG3 GLU 2 HG3 GLU 2 0.137 -5.284 0.214 12 H ASP 3 H ASP 3 2.552 -4.584 -2.376 13 HA ASP 3 HA ASP 3 2.761 -4.482 -5.309 14 HB2 ASP 3 HB2 ASP 3 3.525 -2.574 -3.555 15 HB3 ASP 3 HB3 ASP 3 5.014 -3.511 -3.651 16 H CYS 4 H CYS 4 3.285 -6.461 -6.018 17 HA CYS 4 HA CYS 4 5.697 -7.703 -4.894 18 HB2 CYS 4 HB2 CYS 4 4.640 -9.939 -5.181 19 HB3 CYS 4 HB3 CYS 4 3.849 -8.950 -3.958 20 H LEU 5 H LEU 5 6.532 -9.460 -6.402 21 HA LEU 5 HA LEU 5 6.678 -8.330 -9.065 22 HB2 LEU 5 HB2 LEU 5 8.113 -10.600 -7.709 23 HB3 LEU 5 HB3 LEU 5 8.357 -10.186 -9.406 24 HG LEU 5 HG LEU 5 8.833 -8.216 -7.182 25 HD11 LEU 5 HD11 LEU 5 11.272 -8.812 -7.573 26 HD12 LEU 5 HD12 LEU 5 10.678 -10.293 -8.324 27 HD13 LEU 5 HD13 LEU 5 10.312 -9.955 -6.633 28 HD21 LEU 5 HD21 LEU 5 10.329 -7.225 -8.926 29 HD22 LEU 5 HD22 LEU 5 8.611 -7.187 -9.321 30 HD23 LEU 5 HD23 LEU 5 9.662 -8.388 -10.073 31 H GLY 6 H GLY 6 6.937 -10.203 -10.842 32 HA2 GLY 6 HA2 GLY 6 4.350 -11.596 -10.793 33 HA3 GLY 6 HA3 GLY 6 5.276 -11.202 -12.234 34 H TRP 7 H TRP 7 4.530 -13.597 -12.454 35 HA TRP 7 HA TRP 7 6.094 -15.534 -11.028 36 HB2 TRP 7 HB2 TRP 7 5.026 -17.176 -12.438 37 HB3 TRP 7 HB3 TRP 7 3.816 -15.997 -11.937 38 HD1 TRP 7 HD1 TRP 7 5.774 -17.148 -15.025 39 HE1 TRP 7 HE1 TRP 7 4.591 -16.246 -17.126 40 HE3 TRP 7 HE3 TRP 7 2.298 -14.148 -12.777 41 HZ2 TRP 7 HZ2 TRP 7 2.466 -14.495 -17.748 42 HZ3 TRP 7 HZ3 TRP 7 0.727 -12.894 -14.196 43 HH2 TRP 7 HH2 TRP 7 0.812 -13.064 -16.630 44 H ALA 8 H ALA 8 6.324 -13.861 -14.096 45 HA ALA 8 HA ALA 8 8.646 -15.455 -14.878 46 HB1 ALA 8 HB1 ALA 8 8.169 -14.921 -17.001 47 HB2 ALA 8 HB2 ALA 8 6.604 -14.424 -16.356 48 HB3 ALA 8 HB3 ALA 8 7.874 -13.226 -16.612 49 H SER 9 H SER 9 8.625 -13.493 -12.620 50 HA SER 9 HA SER 9 10.546 -11.509 -13.612 51 HB2 SER 9 HB2 SER 9 8.980 -11.673 -11.030 52 HB3 SER 9 HB3 SER 9 10.212 -10.452 -11.348 53 HG SER 9 HG SER 9 8.942 -9.861 -13.213 54 H ARG 10 H ARG 10 12.506 -11.118 -12.417 55 HA ARG 10 HA ARG 10 13.730 -13.591 -11.544 56 HB2 ARG 10 HB2 ARG 10 15.817 -12.360 -11.586 57 HB3 ARG 10 HB3 ARG 10 14.917 -12.043 -13.063 58 HG2 ARG 10 HG2 ARG 10 15.562 -9.927 -12.568 59 HG3 ARG 10 HG3 ARG 10 14.050 -9.977 -11.659 60 HD2 ARG 10 HD2 ARG 10 15.143 -10.235 -9.619 61 HD3 ARG 10 HD3 ARG 10 16.633 -10.790 -10.380 62 HE ARG 10 HE ARG 10 15.821 -8.063 -9.930 63 HH11 ARG 10 HH11 ARG 10 17.851 -10.197 -11.784 64 HH12 ARG 10 HH12 ARG 10 18.999 -8.964 -12.191 65 HH21 ARG 10 HH21 ARG 10 17.325 -6.431 -10.457 66 HH22 ARG 10 HH22 ARG 10 18.700 -6.823 -11.435 67 H CYS 11 H CYS 11 14.972 -13.749 -9.562 68 HA CYS 11 HA CYS 11 14.765 -11.883 -7.459 69 HB2 CYS 11 HB2 CYS 11 13.149 -12.899 -6.020 70 HB3 CYS 11 HB3 CYS 11 12.376 -12.674 -7.585 71 H SER 12 H SER 12 15.823 -12.581 -5.542 72 HA SER 12 HA SER 12 17.470 -14.983 -5.960 73 HB2 SER 12 HB2 SER 12 18.011 -12.316 -4.753 74 HB3 SER 12 HB3 SER 12 18.834 -13.705 -4.046 75 HG SER 12 HG SER 12 19.132 -12.540 -6.551 76 HA PRO 13 HA PRO 13 15.882 -16.975 -2.388 77 HB2 PRO 13 HB2 PRO 13 18.103 -18.102 -1.310 78 HB3 PRO 13 HB3 PRO 13 17.357 -18.686 -2.802 79 HG2 PRO 13 HG2 PRO 13 19.733 -16.899 -2.443 80 HG3 PRO 13 HG3 PRO 13 19.511 -18.254 -3.565 81 HD2 PRO 13 HD2 PRO 13 19.247 -15.671 -4.331 82 HD3 PRO 13 HD3 PRO 13 18.300 -16.984 -5.058 83 H LYS 14 H LYS 14 18.424 -14.638 -1.993 84 HA LYS 14 HA LYS 14 18.269 -14.553 0.880 85 HB2 LYS 14 HB2 LYS 14 19.783 -12.641 0.697 86 HB3 LYS 14 HB3 LYS 14 20.353 -13.987 -0.281 87 HG2 LYS 14 HG2 LYS 14 18.998 -12.727 -2.166 88 HG3 LYS 14 HG3 LYS 14 19.300 -11.341 -1.115 89 HD2 LYS 14 HD2 LYS 14 21.111 -11.374 -2.612 90 HD3 LYS 14 HD3 LYS 14 21.742 -12.082 -1.122 91 HE2 LYS 14 HE2 LYS 14 20.987 -14.329 -2.242 92 HE3 LYS 14 HE3 LYS 14 21.097 -13.386 -3.727 93 HZ1 LYS 14 HZ1 LYS 14 23.295 -13.688 -1.754 94 HZ2 LYS 14 HZ2 LYS 14 23.386 -12.898 -3.246 95 HZ3 LYS 14 HZ3 LYS 14 23.163 -14.574 -3.189 96 H ASN 15 H ASN 15 16.969 -12.696 -1.819 97 HA ASN 15 HA ASN 15 15.190 -11.326 0.082 98 HB2 ASN 15 HB2 ASN 15 15.285 -9.386 -1.633 99 HB3 ASN 15 HB3 ASN 15 16.629 -9.581 -0.512 100 HD21 ASN 15 HD21 ASN 15 18.406 -9.021 -1.538 101 HD22 ASN 15 HD22 ASN 15 18.874 -9.544 -3.117 102 H ASP 16 H ASP 16 13.757 -13.117 -0.502 103 HA ASP 16 HA ASP 16 12.712 -13.122 -3.214 104 HB2 ASP 16 HB2 ASP 16 12.898 -15.295 -2.328 105 HB3 ASP 16 HB3 ASP 16 12.217 -14.814 -0.776 106 H LYS 17 H LYS 17 11.382 -11.493 -3.696 107 HA LYS 17 HA LYS 17 9.195 -10.902 -1.813 108 HB2 LYS 17 HB2 LYS 17 10.861 -9.015 -3.465 109 HB3 LYS 17 HB3 LYS 17 9.268 -8.561 -2.876 110 HG2 LYS 17 HG2 LYS 17 10.549 -7.726 -1.196 111 HG3 LYS 17 HG3 LYS 17 10.278 -9.355 -0.570 112 HD2 LYS 17 HD2 LYS 17 12.548 -9.197 -0.318 113 HD3 LYS 17 HD3 LYS 17 12.465 -9.881 -1.942 114 HE2 LYS 17 HE2 LYS 17 12.500 -6.914 -1.561 115 HE3 LYS 17 HE3 LYS 17 14.003 -7.832 -1.472 116 HZ1 LYS 17 HZ1 LYS 17 13.202 -8.809 -3.704 117 HZ2 LYS 17 HZ2 LYS 17 13.888 -7.263 -3.685 118 HZ3 LYS 17 HZ3 LYS 17 12.207 -7.442 -3.772 119 H CYS 18 H CYS 18 8.533 -12.801 -3.419 120 HA CYS 18 HA CYS 18 7.213 -11.574 -5.749 121 HB2 CYS 18 HB2 CYS 18 8.274 -14.340 -5.256 122 HB3 CYS 18 HB3 CYS 18 7.013 -14.072 -6.455 123 H CYS 19 H CYS 19 5.062 -12.297 -6.269 124 HA CYS 19 HA CYS 19 3.261 -12.179 -4.182 125 HB2 CYS 19 HB2 CYS 19 3.105 -13.033 -7.025 126 HB3 CYS 19 HB3 CYS 19 1.759 -13.475 -5.981 127 HA PRO 20 HA PRO 20 2.982 -16.138 -2.315 128 HB2 PRO 20 HB2 PRO 20 0.312 -16.418 -1.919 129 HB3 PRO 20 HB3 PRO 20 1.308 -15.293 -0.988 130 HG2 PRO 20 HG2 PRO 20 -0.463 -14.755 -3.341 131 HG3 PRO 20 HG3 PRO 20 -0.274 -13.820 -1.846 132 HD2 PRO 20 HD2 PRO 20 0.928 -13.114 -4.167 133 HD3 PRO 20 HD3 PRO 20 1.658 -12.800 -2.580 134 H ASN 21 H ASN 21 1.624 -18.264 -2.421 135 HA ASN 21 HA ASN 21 1.099 -20.134 -3.602 136 HB2 ASN 21 HB2 ASN 21 -0.210 -17.954 -5.166 137 HB3 ASN 21 HB3 ASN 21 -0.142 -19.565 -5.876 138 HD21 ASN 21 HD21 ASN 21 -0.791 -21.336 -4.269 139 HD22 ASN 21 HD22 ASN 21 -2.223 -21.024 -3.354 140 H TYR 22 H TYR 22 3.664 -18.686 -4.072 141 HA TYR 22 HA TYR 22 4.363 -20.029 -6.590 142 HB2 TYR 22 HB2 TYR 22 5.028 -17.218 -5.751 143 HB3 TYR 22 HB3 TYR 22 6.047 -18.091 -6.890 144 HD1 TYR 22 HD1 TYR 22 4.177 -19.510 -8.574 145 HD2 TYR 22 HD2 TYR 22 3.867 -15.600 -6.925 146 HE1 TYR 22 HE1 TYR 22 2.680 -18.860 -10.414 147 HE2 TYR 22 HE2 TYR 22 2.367 -14.940 -8.760 148 HH TYR 22 HH TYR 22 1.071 -15.735 -10.456 149 H LYS 23 H LYS 23 6.973 -19.826 -6.724 150 HA LYS 23 HA LYS 23 8.238 -20.240 -4.156 151 HB2 LYS 23 HB2 LYS 23 7.113 -22.446 -4.981 152 HB3 LYS 23 HB3 LYS 23 8.462 -22.506 -6.108 153 HG2 LYS 23 HG2 LYS 23 9.112 -23.810 -4.270 154 HG3 LYS 23 HG3 LYS 23 9.978 -22.283 -4.093 155 HD2 LYS 23 HD2 LYS 23 8.080 -21.548 -2.578 156 HD3 LYS 23 HD3 LYS 23 7.548 -23.231 -2.591 157 HE2 LYS 23 HE2 LYS 23 10.291 -22.302 -1.750 158 HE3 LYS 23 HE3 LYS 23 8.967 -22.647 -0.638 159 HZ1 LYS 23 HZ1 LYS 23 10.612 -24.490 -0.988 160 HZ2 LYS 23 HZ2 LYS 23 10.009 -24.647 -2.561 161 HZ3 LYS 23 HZ3 LYS 23 8.992 -24.912 -1.234 162 H CYS 24 H CYS 24 9.915 -18.911 -4.429 163 HA CYS 24 HA CYS 24 11.100 -18.180 -6.836 164 HB2 CYS 24 HB2 CYS 24 11.329 -17.182 -4.429 165 HB3 CYS 24 HB3 CYS 24 12.705 -18.273 -4.303 166 H SER 25 H SER 25 12.628 -19.033 -8.118 167 HA SER 25 HA SER 25 13.767 -21.622 -7.314 168 HB2 SER 25 HB2 SER 25 12.423 -21.782 -9.321 169 HB3 SER 25 HB3 SER 25 13.295 -20.439 -10.060 170 HG SER 25 HG SER 25 14.080 -22.429 -10.818 171 H SER 26 H SER 26 15.769 -21.460 -6.564 172 HA SER 26 HA SER 26 17.479 -19.254 -7.104 173 HB2 SER 26 HB2 SER 26 18.310 -21.926 -5.962 174 HB3 SER 26 HB3 SER 26 19.087 -20.363 -5.718 175 HG SER 26 HG SER 26 17.238 -21.457 -4.224 176 H LYS 27 H LYS 27 16.763 -22.068 -8.829 177 HA LYS 27 HA LYS 27 19.263 -22.604 -10.040 178 HB2 LYS 27 HB2 LYS 27 16.420 -23.290 -10.639 179 HB3 LYS 27 HB3 LYS 27 17.623 -23.540 -11.897 180 HG2 LYS 27 HG2 LYS 27 17.511 -25.593 -10.824 181 HG3 LYS 27 HG3 LYS 27 18.934 -24.832 -10.109 182 HD2 LYS 27 HD2 LYS 27 17.718 -24.247 -8.138 183 HD3 LYS 27 HD3 LYS 27 16.186 -24.728 -8.872 184 HE2 LYS 27 HE2 LYS 27 16.990 -26.414 -7.296 185 HE3 LYS 27 HE3 LYS 27 16.933 -27.046 -8.940 186 HZ1 LYS 27 HZ1 LYS 27 19.278 -26.822 -9.137 187 HZ2 LYS 27 HZ2 LYS 27 18.976 -27.630 -7.683 188 HZ3 LYS 27 HZ3 LYS 27 19.397 -25.991 -7.668 189 H ASP 28 H ASP 28 16.396 -20.949 -11.376 190 HA ASP 28 HA ASP 28 18.175 -19.583 -13.279 191 HB2 ASP 28 HB2 ASP 28 15.497 -20.715 -13.480 192 HB3 ASP 28 HB3 ASP 28 15.562 -19.052 -14.060 193 H LEU 29 H LEU 29 17.214 -18.983 -10.352 194 HA LEU 29 HA LEU 29 16.687 -17.158 -9.093 195 HB2 LEU 29 HB2 LEU 29 17.935 -15.752 -11.450 196 HB3 LEU 29 HB3 LEU 29 17.637 -15.024 -9.872 197 HG LEU 29 HG LEU 29 19.446 -17.400 -10.267 198 HD11 LEU 29 HD11 LEU 29 20.973 -15.118 -9.724 199 HD12 LEU 29 HD12 LEU 29 19.881 -14.668 -11.033 200 HD13 LEU 29 HD13 LEU 29 20.942 -16.064 -11.212 201 HD21 LEU 29 HD21 LEU 29 18.658 -17.121 -8.008 202 HD22 LEU 29 HD22 LEU 29 19.082 -15.409 -8.031 203 HD23 LEU 29 HD23 LEU 29 20.350 -16.634 -8.094 204 H TRP 30 H TRP 30 14.546 -18.112 -10.607 205 HA TRP 30 HA TRP 30 13.051 -15.618 -11.026 206 HB2 TRP 30 HB2 TRP 30 12.021 -16.407 -13.008 207 HB3 TRP 30 HB3 TRP 30 13.738 -16.743 -13.207 208 HD1 TRP 30 HD1 TRP 30 14.196 -19.463 -11.965 209 HE1 TRP 30 HE1 TRP 30 13.003 -21.588 -12.792 210 HE3 TRP 30 HE3 TRP 30 10.180 -17.297 -14.272 211 HZ2 TRP 30 HZ2 TRP 30 10.670 -22.259 -14.232 212 HZ3 TRP 30 HZ3 TRP 30 8.515 -18.752 -15.351 213 HH2 TRP 30 HH2 TRP 30 8.756 -21.181 -15.331 214 H CYS 31 H CYS 31 10.801 -15.748 -10.600 215 HA CYS 31 HA CYS 31 10.138 -17.468 -8.437 216 HB2 CYS 31 HB2 CYS 31 8.202 -15.818 -10.063 217 HB3 CYS 31 HB3 CYS 31 8.030 -16.340 -8.389 218 H LYS 32 H LYS 32 9.806 -19.574 -8.725 219 HA LYS 32 HA LYS 32 8.577 -20.557 -11.174 220 HB2 LYS 32 HB2 LYS 32 10.190 -21.712 -8.987 221 HB3 LYS 32 HB3 LYS 32 8.961 -22.777 -9.658 222 HG2 LYS 32 HG2 LYS 32 9.928 -22.210 -11.936 223 HG3 LYS 32 HG3 LYS 32 11.287 -21.501 -11.060 224 HD2 LYS 32 HD2 LYS 32 12.106 -23.608 -11.308 225 HD3 LYS 32 HD3 LYS 32 11.192 -23.859 -9.819 226 HE2 LYS 32 HE2 LYS 32 9.435 -24.919 -10.941 227 HE3 LYS 32 HE3 LYS 32 9.939 -24.291 -12.510 228 HZ1 LYS 32 HZ1 LYS 32 11.805 -25.749 -12.520 229 HZ2 LYS 32 HZ2 LYS 32 10.439 -26.678 -12.161 230 HZ3 LYS 32 HZ3 LYS 32 11.515 -26.246 -10.930 231 H TYR 33 H TYR 33 7.010 -22.497 -10.775 232 HA TYR 33 HA TYR 33 4.739 -21.407 -9.378 233 HB2 TYR 33 HB2 TYR 33 4.858 -22.788 -11.630 234 HB3 TYR 33 HB3 TYR 33 4.724 -24.162 -10.537 235 HD1 TYR 33 HD1 TYR 33 3.108 -20.790 -10.721 236 HD2 TYR 33 HD2 TYR 33 2.584 -25.005 -10.480 237 HE1 TYR 33 HE1 TYR 33 0.670 -20.476 -10.636 238 HE2 TYR 33 HE2 TYR 33 0.144 -24.703 -10.396 239 HH TYR 33 HH TYR 33 -1.304 -21.474 -10.299 240 H LYS 34 H LYS 34 3.873 -22.060 -7.487 241 HA LYS 34 HA LYS 34 5.450 -23.480 -5.635 242 HB2 LYS 34 HB2 LYS 34 3.411 -21.776 -5.370 243 HB3 LYS 34 HB3 LYS 34 2.514 -23.278 -5.197 244 HG2 LYS 34 HG2 LYS 34 4.132 -23.930 -3.400 245 HG3 LYS 34 HG3 LYS 34 4.792 -22.296 -3.497 246 HD2 LYS 34 HD2 LYS 34 2.823 -21.327 -2.702 247 HD3 LYS 34 HD3 LYS 34 1.857 -22.754 -3.082 248 HE2 LYS 34 HE2 LYS 34 2.634 -23.924 -1.232 249 HE3 LYS 34 HE3 LYS 34 4.067 -22.910 -1.069 250 HZ1 LYS 34 HZ1 LYS 34 2.398 -21.063 -0.546 251 HZ2 LYS 34 HZ2 LYS 34 2.697 -22.221 0.651 252 HZ3 LYS 34 HZ3 LYS 34 1.287 -22.312 -0.279 253 H ILE 35 H ILE 35 3.067 -24.499 -7.930 254 HA ILE 35 HA ILE 35 2.862 -27.146 -6.704 255 HB ILE 35 HB ILE 35 1.445 -26.138 -9.170 256 HG12 ILE 35 HG12 ILE 35 0.834 -24.737 -7.277 257 HG13 ILE 35 HG13 ILE 35 -0.506 -25.802 -7.682 258 HG21 ILE 35 HG21 ILE 35 -0.150 -27.989 -8.541 259 HG22 ILE 35 HG22 ILE 35 1.432 -28.504 -9.128 260 HG23 ILE 35 HG23 ILE 35 1.077 -28.542 -7.401 261 HD11 ILE 35 HD11 ILE 35 1.171 -25.698 -5.265 262 HD12 ILE 35 HD12 ILE 35 -0.535 -26.105 -5.454 263 HD13 ILE 35 HD13 ILE 35 0.704 -27.302 -5.828 264 H TRP 36 H TRP 36 3.648 -28.987 -7.622 265 HA TRP 36 HA TRP 36 5.590 -28.621 -9.771 266 HB2 TRP 36 HB2 TRP 36 5.087 -31.097 -8.111 267 HB3 TRP 36 HB3 TRP 36 6.492 -30.755 -9.119 268 HD1 TRP 36 HD1 TRP 36 5.289 -30.473 -5.627 269 HE1 TRP 36 HE1 TRP 36 6.949 -29.105 -4.213 270 HE3 TRP 36 HE3 TRP 36 8.152 -28.530 -9.391 271 HZ2 TRP 36 HZ2 TRP 36 9.177 -27.425 -4.637 272 HZ3 TRP 36 HZ3 TRP 36 10.028 -27.051 -8.802 273 HH2 TRP 36 HH2 TRP 36 10.528 -26.510 -6.474 Start of MODEL 18 1 H SER 1 H SER 1 0.119 0.930 0.280 2 HA SER 1 HA SER 1 0.985 0.404 -2.290 3 HB2 SER 1 HB2 SER 1 3.122 1.444 -1.623 4 HB3 SER 1 HB3 SER 1 1.741 2.348 -1.004 5 HG SER 1 HG SER 1 3.375 2.029 0.582 6 H GLU 2 H GLU 2 0.595 -2.034 -2.046 7 HA GLU 2 HA GLU 2 3.186 -3.311 -1.477 8 HB2 GLU 2 HB2 GLU 2 0.439 -4.133 -0.640 9 HB3 GLU 2 HB3 GLU 2 1.615 -5.385 -1.012 10 HG2 GLU 2 HG2 GLU 2 1.890 -3.220 1.061 11 HG3 GLU 2 HG3 GLU 2 1.604 -4.935 1.353 12 H ASP 3 H ASP 3 3.790 -3.243 -3.643 13 HA ASP 3 HA ASP 3 2.097 -4.726 -5.532 14 HB2 ASP 3 HB2 ASP 3 4.526 -3.154 -6.333 15 HB3 ASP 3 HB3 ASP 3 3.094 -3.544 -7.282 16 H CYS 4 H CYS 4 2.587 -6.838 -5.329 17 HA CYS 4 HA CYS 4 5.289 -7.741 -4.896 18 HB2 CYS 4 HB2 CYS 4 4.316 -9.996 -4.966 19 HB3 CYS 4 HB3 CYS 4 3.407 -8.942 -3.886 20 H LEU 5 H LEU 5 6.431 -9.186 -6.314 21 HA LEU 5 HA LEU 5 6.419 -8.303 -9.019 22 HB2 LEU 5 HB2 LEU 5 7.925 -10.416 -7.517 23 HB3 LEU 5 HB3 LEU 5 8.095 -10.240 -9.263 24 HG LEU 5 HG LEU 5 8.663 -8.019 -7.306 25 HD11 LEU 5 HD11 LEU 5 10.710 -9.758 -8.653 26 HD12 LEU 5 HD12 LEU 5 10.115 -10.074 -7.023 27 HD13 LEU 5 HD13 LEU 5 10.954 -8.564 -7.378 28 HD21 LEU 5 HD21 LEU 5 9.584 -6.864 -9.104 29 HD22 LEU 5 HD22 LEU 5 8.123 -7.584 -9.782 30 HD23 LEU 5 HD23 LEU 5 9.697 -8.313 -10.104 31 H GLY 6 H GLY 6 6.713 -10.225 -10.736 32 HA2 GLY 6 HA2 GLY 6 4.165 -11.690 -10.621 33 HA3 GLY 6 HA3 GLY 6 5.045 -11.283 -12.088 34 H TRP 7 H TRP 7 4.302 -13.743 -12.134 35 HA TRP 7 HA TRP 7 6.001 -15.581 -10.757 36 HB2 TRP 7 HB2 TRP 7 5.006 -17.268 -12.292 37 HB3 TRP 7 HB3 TRP 7 3.796 -16.289 -11.465 38 HD1 TRP 7 HD1 TRP 7 5.285 -16.912 -14.935 39 HE1 TRP 7 HE1 TRP 7 3.716 -15.888 -16.699 40 HE3 TRP 7 HE3 TRP 7 2.053 -14.462 -11.822 41 HZ2 TRP 7 HZ2 TRP 7 1.413 -14.256 -16.763 42 HZ3 TRP 7 HZ3 TRP 7 0.194 -13.192 -12.814 43 HH2 TRP 7 HH2 TRP 7 -0.118 -13.092 -15.234 44 H ALA 8 H ALA 8 6.076 -13.982 -13.873 45 HA ALA 8 HA ALA 8 8.431 -15.514 -14.684 46 HB1 ALA 8 HB1 ALA 8 7.136 -13.346 -16.303 47 HB2 ALA 8 HB2 ALA 8 8.094 -14.721 -16.854 48 HB3 ALA 8 HB3 ALA 8 6.463 -14.975 -16.233 49 H SER 9 H SER 9 8.540 -13.614 -12.462 50 HA SER 9 HA SER 9 10.302 -11.543 -13.581 51 HB2 SER 9 HB2 SER 9 8.243 -11.084 -11.978 52 HB3 SER 9 HB3 SER 9 9.416 -11.493 -10.727 53 HG SER 9 HG SER 9 9.922 -9.577 -12.750 54 H ARG 10 H ARG 10 12.190 -10.951 -12.183 55 HA ARG 10 HA ARG 10 13.598 -13.390 -11.446 56 HB2 ARG 10 HB2 ARG 10 14.518 -10.539 -11.823 57 HB3 ARG 10 HB3 ARG 10 15.579 -11.836 -11.289 58 HG2 ARG 10 HG2 ARG 10 14.623 -12.990 -13.485 59 HG3 ARG 10 HG3 ARG 10 14.424 -11.301 -13.960 60 HD2 ARG 10 HD2 ARG 10 16.732 -10.861 -13.709 61 HD3 ARG 10 HD3 ARG 10 17.004 -12.380 -12.858 62 HE ARG 10 HE ARG 10 17.180 -13.437 -14.879 63 HH11 ARG 10 HH11 ARG 10 15.696 -10.323 -15.350 64 HH12 ARG 10 HH12 ARG 10 15.741 -10.416 -17.079 65 HH21 ARG 10 HH21 ARG 10 17.247 -13.572 -17.156 66 HH22 ARG 10 HH22 ARG 10 16.623 -12.265 -18.106 67 H CYS 11 H CYS 11 14.916 -13.454 -9.482 68 HA CYS 11 HA CYS 11 14.558 -11.660 -7.339 69 HB2 CYS 11 HB2 CYS 11 13.059 -12.847 -5.903 70 HB3 CYS 11 HB3 CYS 11 12.250 -12.669 -7.457 71 H SER 12 H SER 12 15.110 -12.920 -5.159 72 HA SER 12 HA SER 12 17.171 -14.934 -5.740 73 HB2 SER 12 HB2 SER 12 17.491 -12.296 -4.388 74 HB3 SER 12 HB3 SER 12 18.403 -13.662 -3.745 75 HG SER 12 HG SER 12 19.603 -12.599 -5.339 76 HA PRO 13 HA PRO 13 15.635 -17.189 -2.307 77 HB2 PRO 13 HB2 PRO 13 17.902 -18.208 -1.212 78 HB3 PRO 13 HB3 PRO 13 17.238 -18.774 -2.750 79 HG2 PRO 13 HG2 PRO 13 19.472 -16.845 -2.245 80 HG3 PRO 13 HG3 PRO 13 19.375 -18.160 -3.431 81 HD2 PRO 13 HD2 PRO 13 18.950 -15.569 -4.091 82 HD3 PRO 13 HD3 PRO 13 18.116 -16.909 -4.903 83 H LYS 14 H LYS 14 17.927 -14.655 -1.760 84 HA LYS 14 HA LYS 14 17.483 -14.689 1.129 85 HB2 LYS 14 HB2 LYS 14 19.200 -12.944 1.217 86 HB3 LYS 14 HB3 LYS 14 19.775 -14.356 0.339 87 HG2 LYS 14 HG2 LYS 14 19.419 -13.238 -1.771 88 HG3 LYS 14 HG3 LYS 14 18.718 -11.845 -0.946 89 HD2 LYS 14 HD2 LYS 14 20.873 -11.115 -1.275 90 HD3 LYS 14 HD3 LYS 14 21.009 -11.837 0.330 91 HE2 LYS 14 HE2 LYS 14 21.780 -13.942 -0.765 92 HE3 LYS 14 HE3 LYS 14 21.797 -13.078 -2.302 93 HZ1 LYS 14 HZ1 LYS 14 23.614 -12.870 -0.033 94 HZ2 LYS 14 HZ2 LYS 14 23.262 -11.433 -0.855 95 HZ3 LYS 14 HZ3 LYS 14 23.932 -12.744 -1.690 96 H ASN 15 H ASN 15 16.740 -12.799 -1.730 97 HA ASN 15 HA ASN 15 14.957 -11.132 -0.083 98 HB2 ASN 15 HB2 ASN 15 16.731 -10.296 -2.378 99 HB3 ASN 15 HB3 ASN 15 15.380 -9.314 -1.820 100 HD21 ASN 15 HD21 ASN 15 18.046 -8.472 -1.820 101 HD22 ASN 15 HD22 ASN 15 18.543 -8.238 -0.181 102 H ASP 16 H ASP 16 13.628 -13.120 -0.813 103 HA ASP 16 HA ASP 16 12.650 -12.953 -3.541 104 HB2 ASP 16 HB2 ASP 16 12.822 -15.174 -2.807 105 HB3 ASP 16 HB3 ASP 16 12.133 -14.804 -1.230 106 H LYS 17 H LYS 17 11.311 -11.318 -3.965 107 HA LYS 17 HA LYS 17 9.124 -10.789 -2.060 108 HB2 LYS 17 HB2 LYS 17 10.721 -8.922 -3.790 109 HB3 LYS 17 HB3 LYS 17 9.112 -8.481 -3.232 110 HG2 LYS 17 HG2 LYS 17 10.376 -7.547 -1.586 111 HG3 LYS 17 HG3 LYS 17 10.106 -9.146 -0.888 112 HD2 LYS 17 HD2 LYS 17 12.370 -8.977 -0.614 113 HD3 LYS 17 HD3 LYS 17 12.318 -9.712 -2.217 114 HE2 LYS 17 HE2 LYS 17 12.292 -6.740 -1.987 115 HE3 LYS 17 HE3 LYS 17 13.810 -7.600 -1.735 116 HZ1 LYS 17 HZ1 LYS 17 12.123 -7.556 -4.167 117 HZ2 LYS 17 HZ2 LYS 17 13.337 -8.711 -3.932 118 HZ3 LYS 17 HZ3 LYS 17 13.735 -7.070 -4.005 119 H CYS 18 H CYS 18 8.506 -12.761 -3.633 120 HA CYS 18 HA CYS 18 7.038 -11.617 -5.916 121 HB2 CYS 18 HB2 CYS 18 8.412 -14.216 -5.486 122 HB3 CYS 18 HB3 CYS 18 6.921 -14.250 -6.422 123 H CYS 19 H CYS 19 4.902 -12.437 -6.344 124 HA CYS 19 HA CYS 19 3.182 -12.381 -4.186 125 HB2 CYS 19 HB2 CYS 19 2.950 -13.263 -7.017 126 HB3 CYS 19 HB3 CYS 19 1.666 -13.750 -5.917 127 HA PRO 20 HA PRO 20 3.154 -16.337 -2.290 128 HB2 PRO 20 HB2 PRO 20 0.517 -16.725 -1.776 129 HB3 PRO 20 HB3 PRO 20 1.506 -15.553 -0.896 130 HG2 PRO 20 HG2 PRO 20 -0.388 -15.103 -3.170 131 HG3 PRO 20 HG3 PRO 20 -0.172 -14.152 -1.690 132 HD2 PRO 20 HD2 PRO 20 0.897 -13.411 -4.064 133 HD3 PRO 20 HD3 PRO 20 1.682 -13.057 -2.513 134 H ASN 21 H ASN 21 1.951 -18.529 -2.337 135 HA ASN 21 HA ASN 21 1.401 -20.418 -3.478 136 HB2 ASN 21 HB2 ASN 21 0.265 -18.695 -5.672 137 HB3 ASN 21 HB3 ASN 21 -0.256 -20.295 -5.153 138 HD21 ASN 21 HD21 ASN 21 -1.040 -17.131 -5.104 139 HD22 ASN 21 HD22 ASN 21 -2.041 -17.091 -3.697 140 H TYR 22 H TYR 22 3.942 -19.028 -3.956 141 HA TYR 22 HA TYR 22 4.659 -20.415 -6.428 142 HB2 TYR 22 HB2 TYR 22 5.210 -17.506 -5.848 143 HB3 TYR 22 HB3 TYR 22 6.128 -18.426 -7.036 144 HD1 TYR 22 HD1 TYR 22 4.131 -20.019 -8.390 145 HD2 TYR 22 HD2 TYR 22 3.870 -16.009 -6.995 146 HE1 TYR 22 HE1 TYR 22 2.415 -19.547 -10.087 147 HE2 TYR 22 HE2 TYR 22 2.152 -15.525 -8.688 148 HH TYR 22 HH TYR 22 0.627 -17.990 -10.515 149 H LYS 23 H LYS 23 7.151 -20.340 -6.685 150 HA LYS 23 HA LYS 23 8.515 -20.365 -4.097 151 HB2 LYS 23 HB2 LYS 23 7.583 -22.704 -5.089 152 HB3 LYS 23 HB3 LYS 23 9.157 -22.644 -5.871 153 HG2 LYS 23 HG2 LYS 23 8.821 -22.268 -2.912 154 HG3 LYS 23 HG3 LYS 23 9.021 -23.858 -3.653 155 HD2 LYS 23 HD2 LYS 23 10.975 -21.823 -4.491 156 HD3 LYS 23 HD3 LYS 23 11.068 -22.303 -2.795 157 HE2 LYS 23 HE2 LYS 23 10.961 -24.307 -5.032 158 HE3 LYS 23 HE3 LYS 23 12.479 -23.622 -4.455 159 HZ1 LYS 23 HZ1 LYS 23 12.371 -25.425 -3.118 160 HZ2 LYS 23 HZ2 LYS 23 10.683 -25.516 -3.156 161 HZ3 LYS 23 HZ3 LYS 23 11.446 -24.384 -2.157 162 H CYS 24 H CYS 24 10.255 -19.135 -4.303 163 HA CYS 24 HA CYS 24 11.295 -18.266 -6.771 164 HB2 CYS 24 HB2 CYS 24 11.488 -17.235 -4.376 165 HB3 CYS 24 HB3 CYS 24 12.934 -18.232 -4.260 166 H SER 25 H SER 25 12.499 -19.337 -8.179 167 HA SER 25 HA SER 25 13.884 -21.759 -7.359 168 HB2 SER 25 HB2 SER 25 12.575 -21.903 -9.390 169 HB3 SER 25 HB3 SER 25 13.423 -20.519 -10.081 170 HG SER 25 HG SER 25 14.287 -22.446 -10.885 171 H SER 26 H SER 26 15.887 -21.611 -6.617 172 HA SER 26 HA SER 26 17.543 -19.336 -7.024 173 HB2 SER 26 HB2 SER 26 18.618 -21.983 -6.101 174 HB3 SER 26 HB3 SER 26 19.062 -20.358 -5.577 175 HG SER 26 HG SER 26 16.884 -21.947 -4.824 176 H LYS 27 H LYS 27 16.889 -22.041 -8.925 177 HA LYS 27 HA LYS 27 19.409 -22.453 -10.149 178 HB2 LYS 27 HB2 LYS 27 16.583 -23.160 -10.816 179 HB3 LYS 27 HB3 LYS 27 17.811 -23.327 -12.063 180 HG2 LYS 27 HG2 LYS 27 17.658 -25.435 -11.063 181 HG3 LYS 27 HG3 LYS 27 19.117 -24.711 -10.382 182 HD2 LYS 27 HD2 LYS 27 17.953 -24.146 -8.354 183 HD3 LYS 27 HD3 LYS 27 16.415 -24.675 -9.041 184 HE2 LYS 27 HE2 LYS 27 17.073 -26.459 -7.688 185 HE3 LYS 27 HE3 LYS 27 17.544 -26.960 -9.312 186 HZ1 LYS 27 HZ1 LYS 27 19.288 -27.400 -7.695 187 HZ2 LYS 27 HZ2 LYS 27 19.357 -25.760 -7.289 188 HZ3 LYS 27 HZ3 LYS 27 19.804 -26.265 -8.840 189 H ASP 28 H ASP 28 16.509 -20.789 -11.397 190 HA ASP 28 HA ASP 28 18.266 -19.261 -13.195 191 HB2 ASP 28 HB2 ASP 28 15.574 -20.403 -13.472 192 HB3 ASP 28 HB3 ASP 28 15.714 -18.748 -14.058 193 H LEU 29 H LEU 29 17.268 -18.863 -10.256 194 HA LEU 29 HA LEU 29 16.659 -17.137 -8.898 195 HB2 LEU 29 HB2 LEU 29 17.826 -15.514 -11.156 196 HB3 LEU 29 HB3 LEU 29 17.547 -14.943 -9.511 197 HG LEU 29 HG LEU 29 19.508 -17.085 -10.336 198 HD11 LEU 29 HD11 LEU 29 19.817 -14.191 -9.595 199 HD12 LEU 29 HD12 LEU 29 20.391 -15.024 -11.038 200 HD13 LEU 29 HD13 LEU 29 21.145 -15.344 -9.477 201 HD21 LEU 29 HD21 LEU 29 18.784 -17.639 -8.167 202 HD22 LEU 29 HD22 LEU 29 18.735 -15.949 -7.661 203 HD23 LEU 29 HD23 LEU 29 20.287 -16.742 -7.941 204 H TRP 30 H TRP 30 14.577 -18.090 -10.516 205 HA TRP 30 HA TRP 30 12.970 -15.643 -10.771 206 HB2 TRP 30 HB2 TRP 30 12.010 -16.317 -12.823 207 HB3 TRP 30 HB3 TRP 30 13.741 -16.581 -13.018 208 HD1 TRP 30 HD1 TRP 30 14.256 -19.372 -11.946 209 HE1 TRP 30 HE1 TRP 30 13.152 -21.468 -12.954 210 HE3 TRP 30 HE3 TRP 30 10.239 -17.166 -14.212 211 HZ2 TRP 30 HZ2 TRP 30 10.881 -22.102 -14.505 212 HZ3 TRP 30 HZ3 TRP 30 8.648 -18.588 -15.438 213 HH2 TRP 30 HH2 TRP 30 8.965 -21.005 -15.580 214 H CYS 31 H CYS 31 10.746 -15.885 -10.336 215 HA CYS 31 HA CYS 31 10.141 -17.831 -8.353 216 HB2 CYS 31 HB2 CYS 31 8.160 -16.071 -9.802 217 HB3 CYS 31 HB3 CYS 31 7.999 -16.774 -8.196 218 H LYS 32 H LYS 32 9.789 -19.899 -8.802 219 HA LYS 32 HA LYS 32 8.642 -20.681 -11.360 220 HB2 LYS 32 HB2 LYS 32 10.078 -22.079 -9.154 221 HB3 LYS 32 HB3 LYS 32 9.002 -23.030 -10.168 222 HG2 LYS 32 HG2 LYS 32 10.248 -22.199 -12.156 223 HG3 LYS 32 HG3 LYS 32 11.392 -21.430 -11.053 224 HD2 LYS 32 HD2 LYS 32 12.464 -23.419 -11.421 225 HD3 LYS 32 HD3 LYS 32 11.493 -23.850 -10.012 226 HE2 LYS 32 HE2 LYS 32 9.724 -24.594 -11.728 227 HE3 LYS 32 HE3 LYS 32 11.044 -24.542 -12.896 228 HZ1 LYS 32 HZ1 LYS 32 11.798 -26.475 -12.158 229 HZ2 LYS 32 HZ2 LYS 32 10.414 -26.615 -11.196 230 HZ3 LYS 32 HZ3 LYS 32 11.825 -25.938 -10.554 231 H TYR 33 H TYR 33 7.110 -22.715 -11.109 232 HA TYR 33 HA TYR 33 4.769 -21.727 -9.743 233 HB2 TYR 33 HB2 TYR 33 5.002 -22.988 -12.066 234 HB3 TYR 33 HB3 TYR 33 4.819 -24.412 -11.048 235 HD1 TYR 33 HD1 TYR 33 3.211 -21.048 -11.397 236 HD2 TYR 33 HD2 TYR 33 2.679 -25.236 -10.868 237 HE1 TYR 33 HE1 TYR 33 0.771 -20.733 -11.409 238 HE2 TYR 33 HE2 TYR 33 0.239 -24.934 -10.879 239 HH TYR 33 HH TYR 33 -1.318 -22.521 -10.250 240 H LYS 34 H LYS 34 3.940 -22.419 -7.869 241 HA LYS 34 HA LYS 34 5.449 -23.955 -6.077 242 HB2 LYS 34 HB2 LYS 34 3.414 -22.276 -5.752 243 HB3 LYS 34 HB3 LYS 34 2.494 -23.774 -5.725 244 HG2 LYS 34 HG2 LYS 34 4.905 -23.559 -3.999 245 HG3 LYS 34 HG3 LYS 34 3.435 -22.707 -3.519 246 HD2 LYS 34 HD2 LYS 34 2.320 -25.037 -4.041 247 HD3 LYS 34 HD3 LYS 34 3.954 -25.634 -3.746 248 HE2 LYS 34 HE2 LYS 34 3.968 -24.747 -1.542 249 HE3 LYS 34 HE3 LYS 34 2.494 -23.824 -1.833 250 HZ1 LYS 34 HZ1 LYS 34 2.045 -26.575 -2.318 251 HZ2 LYS 34 HZ2 LYS 34 1.279 -25.551 -1.211 252 HZ3 LYS 34 HZ3 LYS 34 2.694 -26.367 -0.770 253 H ILE 35 H ILE 35 3.130 -24.864 -8.481 254 HA ILE 35 HA ILE 35 2.951 -27.586 -7.412 255 HB ILE 35 HB ILE 35 1.502 -26.464 -9.808 256 HG12 ILE 35 HG12 ILE 35 0.945 -25.171 -7.785 257 HG13 ILE 35 HG13 ILE 35 -0.421 -26.133 -8.335 258 HG21 ILE 35 HG21 ILE 35 1.239 -28.965 -8.171 259 HG22 ILE 35 HG22 ILE 35 -0.087 -28.359 -9.161 260 HG23 ILE 35 HG23 ILE 35 1.445 -28.803 -9.916 261 HD11 ILE 35 HD11 ILE 35 0.790 -26.084 -5.785 262 HD12 ILE 35 HD12 ILE 35 -0.578 -27.051 -6.334 263 HD13 ILE 35 HD13 ILE 35 1.063 -27.682 -6.479 264 H TRP 36 H TRP 36 3.982 -29.266 -8.303 265 HA TRP 36 HA TRP 36 6.004 -28.838 -10.245 266 HB2 TRP 36 HB2 TRP 36 6.087 -30.568 -8.434 267 HB3 TRP 36 HB3 TRP 36 4.873 -31.487 -9.320 268 HD1 TRP 36 HD1 TRP 36 5.668 -32.359 -11.838 269 HE1 TRP 36 HE1 TRP 36 7.992 -33.149 -12.612 270 HE3 TRP 36 HE3 TRP 36 8.508 -30.295 -8.121 271 HZ2 TRP 36 HZ2 TRP 36 10.673 -32.927 -11.759 272 HZ3 TRP 36 HZ3 TRP 36 10.945 -30.631 -8.174 273 HH2 TRP 36 HH2 TRP 36 12.003 -31.921 -9.956 Start of MODEL 19 1 H SER 1 H SER 1 0.711 -0.936 -0.097 2 HA SER 1 HA SER 1 2.826 -1.782 -0.207 3 HB2 SER 1 HB2 SER 1 2.237 -3.227 2.383 4 HB3 SER 1 HB3 SER 1 3.819 -2.828 1.715 5 HG SER 1 HG SER 1 2.851 -1.412 3.435 6 H GLU 2 H GLU 2 0.788 -3.028 -1.603 7 HA GLU 2 HA GLU 2 1.368 -5.897 -1.335 8 HB2 GLU 2 HB2 GLU 2 -0.637 -6.273 -2.683 9 HB3 GLU 2 HB3 GLU 2 -1.007 -5.299 -1.267 10 HG2 GLU 2 HG2 GLU 2 -1.395 -3.403 -2.499 11 HG3 GLU 2 HG3 GLU 2 -0.383 -3.937 -3.839 12 H ASP 3 H ASP 3 3.407 -4.436 -2.405 13 HA ASP 3 HA ASP 3 3.208 -4.630 -5.309 14 HB2 ASP 3 HB2 ASP 3 5.241 -3.444 -3.433 15 HB3 ASP 3 HB3 ASP 3 5.608 -3.696 -5.138 16 H CYS 4 H CYS 4 3.283 -6.769 -5.833 17 HA CYS 4 HA CYS 4 5.683 -8.252 -4.978 18 HB2 CYS 4 HB2 CYS 4 4.419 -10.307 -5.155 19 HB3 CYS 4 HB3 CYS 4 3.550 -9.191 -4.106 20 H LEU 5 H LEU 5 6.638 -9.678 -6.525 21 HA LEU 5 HA LEU 5 6.603 -8.590 -9.190 22 HB2 LEU 5 HB2 LEU 5 8.127 -10.907 -8.010 23 HB3 LEU 5 HB3 LEU 5 8.377 -10.254 -9.628 24 HG LEU 5 HG LEU 5 8.765 -8.624 -7.126 25 HD11 LEU 5 HD11 LEU 5 10.710 -10.366 -8.615 26 HD12 LEU 5 HD12 LEU 5 10.323 -10.380 -6.894 27 HD13 LEU 5 HD13 LEU 5 11.218 -9.026 -7.586 28 HD21 LEU 5 HD21 LEU 5 10.409 -7.799 -9.245 29 HD22 LEU 5 HD22 LEU 5 9.004 -6.966 -8.580 30 HD23 LEU 5 HD23 LEU 5 8.812 -8.074 -9.940 31 H GLY 6 H GLY 6 6.678 -10.226 -11.070 32 HA2 GLY 6 HA2 GLY 6 4.211 -11.784 -10.908 33 HA3 GLY 6 HA3 GLY 6 5.060 -11.330 -12.379 34 H TRP 7 H TRP 7 4.194 -13.844 -12.270 35 HA TRP 7 HA TRP 7 5.906 -15.723 -11.062 36 HB2 TRP 7 HB2 TRP 7 4.820 -17.367 -12.411 37 HB3 TRP 7 HB3 TRP 7 3.602 -16.162 -12.001 38 HD1 TRP 7 HD1 TRP 7 3.599 -14.082 -14.110 39 HE1 TRP 7 HE1 TRP 7 3.292 -14.569 -16.620 40 HE3 TRP 7 HE3 TRP 7 4.975 -19.005 -14.157 41 HZ2 TRP 7 HZ2 TRP 7 3.593 -16.751 -18.384 42 HZ3 TRP 7 HZ3 TRP 7 4.937 -20.220 -16.296 43 HH2 TRP 7 HH2 TRP 7 4.261 -19.114 -18.365 44 H ALA 8 H ALA 8 6.075 -13.984 -14.093 45 HA ALA 8 HA ALA 8 8.442 -15.508 -14.900 46 HB1 ALA 8 HB1 ALA 8 8.189 -14.538 -17.065 47 HB2 ALA 8 HB2 ALA 8 6.599 -15.089 -16.535 48 HB3 ALA 8 HB3 ALA 8 7.006 -13.374 -16.466 49 H SER 9 H SER 9 8.654 -13.788 -12.643 50 HA SER 9 HA SER 9 10.343 -11.617 -13.699 51 HB2 SER 9 HB2 SER 9 8.885 -11.863 -11.060 52 HB3 SER 9 HB3 SER 9 10.047 -10.586 -11.421 53 HG SER 9 HG SER 9 7.531 -11.076 -12.602 54 H ARG 10 H ARG 10 12.180 -11.025 -12.173 55 HA ARG 10 HA ARG 10 13.592 -13.495 -11.485 56 HB2 ARG 10 HB2 ARG 10 15.621 -12.181 -11.578 57 HB3 ARG 10 HB3 ARG 10 14.675 -11.892 -13.031 58 HG2 ARG 10 HG2 ARG 10 15.236 -9.754 -12.543 59 HG3 ARG 10 HG3 ARG 10 13.763 -9.870 -11.580 60 HD2 ARG 10 HD2 ARG 10 14.902 -9.952 -9.596 61 HD3 ARG 10 HD3 ARG 10 16.335 -10.675 -10.325 62 HE ARG 10 HE ARG 10 16.239 -8.172 -11.389 63 HH11 ARG 10 HH11 ARG 10 16.243 -9.451 -8.152 64 HH12 ARG 10 HH12 ARG 10 17.046 -8.076 -7.469 65 HH21 ARG 10 HH21 ARG 10 17.297 -6.355 -10.503 66 HH22 ARG 10 HH22 ARG 10 17.643 -6.314 -8.808 67 H CYS 11 H CYS 11 14.939 -13.527 -9.538 68 HA CYS 11 HA CYS 11 14.620 -11.676 -7.434 69 HB2 CYS 11 HB2 CYS 11 13.139 -12.826 -5.950 70 HB3 CYS 11 HB3 CYS 11 12.309 -12.680 -7.496 71 H SER 12 H SER 12 15.275 -12.792 -5.252 72 HA SER 12 HA SER 12 17.292 -14.863 -5.803 73 HB2 SER 12 HB2 SER 12 17.650 -12.181 -4.552 74 HB3 SER 12 HB3 SER 12 18.572 -13.525 -3.881 75 HG SER 12 HG SER 12 19.307 -13.924 -6.058 76 HA PRO 13 HA PRO 13 15.828 -16.991 -2.259 77 HB2 PRO 13 HB2 PRO 13 18.115 -17.979 -1.182 78 HB3 PRO 13 HB3 PRO 13 17.416 -18.596 -2.683 79 HG2 PRO 13 HG2 PRO 13 19.666 -16.659 -2.297 80 HG3 PRO 13 HG3 PRO 13 19.539 -18.015 -3.434 81 HD2 PRO 13 HD2 PRO 13 19.106 -15.446 -4.174 82 HD3 PRO 13 HD3 PRO 13 18.250 -16.811 -4.919 83 H LYS 14 H LYS 14 18.128 -14.440 -1.856 84 HA LYS 14 HA LYS 14 17.863 -14.397 1.040 85 HB2 LYS 14 HB2 LYS 14 19.417 -12.494 0.935 86 HB3 LYS 14 HB3 LYS 14 20.045 -13.895 0.075 87 HG2 LYS 14 HG2 LYS 14 19.303 -12.886 -2.049 88 HG3 LYS 14 HG3 LYS 14 18.772 -11.458 -1.156 89 HD2 LYS 14 HD2 LYS 14 21.211 -11.441 -0.256 90 HD3 LYS 14 HD3 LYS 14 21.549 -12.461 -1.656 91 HE2 LYS 14 HE2 LYS 14 21.967 -10.134 -2.192 92 HE3 LYS 14 HE3 LYS 14 20.596 -10.735 -3.122 93 HZ1 LYS 14 HZ1 LYS 14 20.499 -8.448 -1.872 94 HZ2 LYS 14 HZ2 LYS 14 20.056 -9.421 -0.563 95 HZ3 LYS 14 HZ3 LYS 14 19.134 -9.441 -1.980 96 H ASN 15 H ASN 15 16.821 -12.546 -1.772 97 HA ASN 15 HA ASN 15 14.948 -11.096 -0.026 98 HB2 ASN 15 HB2 ASN 15 16.957 -9.747 -0.966 99 HB3 ASN 15 HB3 ASN 15 16.099 -9.837 -2.502 100 HD21 ASN 15 HD21 ASN 15 16.455 -7.408 -1.773 101 HD22 ASN 15 HD22 ASN 15 15.058 -6.692 -1.053 102 H ASP 16 H ASP 16 13.637 -13.013 -0.734 103 HA ASP 16 HA ASP 16 12.697 -12.948 -3.479 104 HB2 ASP 16 HB2 ASP 16 12.891 -15.142 -2.671 105 HB3 ASP 16 HB3 ASP 16 12.168 -14.732 -1.118 106 H LYS 17 H LYS 17 11.344 -11.341 -3.971 107 HA LYS 17 HA LYS 17 9.108 -10.805 -2.125 108 HB2 LYS 17 HB2 LYS 17 9.077 -8.499 -3.057 109 HB3 LYS 17 HB3 LYS 17 10.557 -8.879 -2.186 110 HG2 LYS 17 HG2 LYS 17 10.525 -9.318 -5.121 111 HG3 LYS 17 HG3 LYS 17 10.581 -7.656 -4.526 112 HD2 LYS 17 HD2 LYS 17 12.474 -8.707 -2.972 113 HD3 LYS 17 HD3 LYS 17 12.602 -9.820 -4.336 114 HE2 LYS 17 HE2 LYS 17 14.059 -8.208 -5.029 115 HE3 LYS 17 HE3 LYS 17 12.568 -7.563 -5.714 116 HZ1 LYS 17 HZ1 LYS 17 13.122 -5.715 -4.623 117 HZ2 LYS 17 HZ2 LYS 17 14.237 -6.501 -3.625 118 HZ3 LYS 17 HZ3 LYS 17 12.592 -6.510 -3.227 119 H CYS 18 H CYS 18 8.472 -12.776 -3.628 120 HA CYS 18 HA CYS 18 7.123 -11.697 -6.014 121 HB2 CYS 18 HB2 CYS 18 7.739 -14.600 -5.446 122 HB3 CYS 18 HB3 CYS 18 7.173 -13.904 -6.960 123 H CYS 19 H CYS 19 4.985 -12.487 -6.488 124 HA CYS 19 HA CYS 19 3.186 -12.291 -4.407 125 HB2 CYS 19 HB2 CYS 19 3.047 -13.290 -7.202 126 HB3 CYS 19 HB3 CYS 19 1.715 -13.726 -6.135 127 HA PRO 20 HA PRO 20 2.986 -16.145 -2.322 128 HB2 PRO 20 HB2 PRO 20 0.321 -16.459 -1.912 129 HB3 PRO 20 HB3 PRO 20 1.293 -15.263 -1.045 130 HG2 PRO 20 HG2 PRO 20 -0.487 -14.895 -3.424 131 HG3 PRO 20 HG3 PRO 20 -0.319 -13.874 -1.984 132 HD2 PRO 20 HD2 PRO 20 0.871 -13.274 -4.341 133 HD3 PRO 20 HD3 PRO 20 1.592 -12.855 -2.774 134 H ASN 21 H ASN 21 1.722 -18.312 -2.314 135 HA ASN 21 HA ASN 21 1.239 -20.256 -3.389 136 HB2 ASN 21 HB2 ASN 21 -0.177 -18.196 -5.007 137 HB3 ASN 21 HB3 ASN 21 -0.024 -19.807 -5.700 138 HD21 ASN 21 HD21 ASN 21 -0.459 -21.559 -3.897 139 HD22 ASN 21 HD22 ASN 21 -1.945 -21.330 -3.048 140 H TYR 22 H TYR 22 3.737 -18.700 -3.994 141 HA TYR 22 HA TYR 22 4.455 -20.162 -6.442 142 HB2 TYR 22 HB2 TYR 22 5.097 -17.307 -5.726 143 HB3 TYR 22 HB3 TYR 22 6.059 -18.211 -6.891 144 HD1 TYR 22 HD1 TYR 22 4.082 -19.704 -8.401 145 HD2 TYR 22 HD2 TYR 22 3.890 -15.724 -6.909 146 HE1 TYR 22 HE1 TYR 22 2.483 -19.121 -10.178 147 HE2 TYR 22 HE2 TYR 22 2.290 -15.130 -8.680 148 HH TYR 22 HH TYR 22 0.995 -15.912 -10.329 149 H LYS 23 H LYS 23 7.060 -19.876 -6.613 150 HA LYS 23 HA LYS 23 8.350 -20.163 -4.036 151 HB2 LYS 23 HB2 LYS 23 7.566 -22.410 -4.278 152 HB3 LYS 23 HB3 LYS 23 8.077 -22.472 -5.961 153 HG2 LYS 23 HG2 LYS 23 9.565 -23.740 -4.488 154 HG3 LYS 23 HG3 LYS 23 10.401 -22.410 -5.293 155 HD2 LYS 23 HD2 LYS 23 11.020 -21.586 -3.323 156 HD3 LYS 23 HD3 LYS 23 9.330 -21.455 -2.829 157 HE2 LYS 23 HE2 LYS 23 10.481 -22.810 -1.225 158 HE3 LYS 23 HE3 LYS 23 9.409 -23.852 -2.161 159 HZ1 LYS 23 HZ1 LYS 23 12.352 -23.613 -2.358 160 HZ2 LYS 23 HZ2 LYS 23 11.427 -24.341 -3.573 161 HZ3 LYS 23 HZ3 LYS 23 11.435 -24.991 -2.012 162 H CYS 24 H CYS 24 10.091 -18.933 -4.262 163 HA CYS 24 HA CYS 24 11.206 -18.140 -6.708 164 HB2 CYS 24 HB2 CYS 24 11.433 -17.122 -4.310 165 HB3 CYS 24 HB3 CYS 24 12.829 -18.187 -4.186 166 H SER 25 H SER 25 12.719 -18.986 -8.008 167 HA SER 25 HA SER 25 13.916 -21.545 -7.200 168 HB2 SER 25 HB2 SER 25 12.576 -21.729 -9.204 169 HB3 SER 25 HB3 SER 25 13.417 -20.366 -9.943 170 HG SER 25 HG SER 25 14.310 -22.989 -9.503 171 H SER 26 H SER 26 15.920 -21.364 -6.460 172 HA SER 26 HA SER 26 17.595 -19.128 -6.987 173 HB2 SER 26 HB2 SER 26 18.553 -21.774 -5.906 174 HB3 SER 26 HB3 SER 26 19.176 -20.159 -5.563 175 HG SER 26 HG SER 26 17.175 -19.729 -4.498 176 H LYS 27 H LYS 27 16.905 -21.924 -8.745 177 HA LYS 27 HA LYS 27 19.413 -22.418 -9.964 178 HB2 LYS 27 HB2 LYS 27 16.585 -23.169 -10.501 179 HB3 LYS 27 HB3 LYS 27 17.724 -23.317 -11.834 180 HG2 LYS 27 HG2 LYS 27 17.604 -25.423 -10.744 181 HG3 LYS 27 HG3 LYS 27 19.168 -24.707 -10.346 182 HD2 LYS 27 HD2 LYS 27 18.189 -23.913 -8.201 183 HD3 LYS 27 HD3 LYS 27 16.709 -24.788 -8.599 184 HE2 LYS 27 HE2 LYS 27 17.960 -26.196 -7.163 185 HE3 LYS 27 HE3 LYS 27 18.125 -26.864 -8.785 186 HZ1 LYS 27 HZ1 LYS 27 20.130 -25.103 -7.483 187 HZ2 LYS 27 HZ2 LYS 27 20.291 -25.885 -8.975 188 HZ3 LYS 27 HZ3 LYS 27 20.234 -26.791 -7.546 189 H ASP 28 H ASP 28 16.519 -20.788 -11.276 190 HA ASP 28 HA ASP 28 18.277 -19.373 -13.162 191 HB2 ASP 28 HB2 ASP 28 15.593 -20.522 -13.368 192 HB3 ASP 28 HB3 ASP 28 15.691 -18.876 -13.989 193 H LEU 29 H LEU 29 17.302 -18.820 -10.234 194 HA LEU 29 HA LEU 29 16.733 -17.019 -8.959 195 HB2 LEU 29 HB2 LEU 29 18.018 -15.644 -11.309 196 HB3 LEU 29 HB3 LEU 29 17.585 -14.825 -9.811 197 HG LEU 29 HG LEU 29 19.545 -17.110 -9.991 198 HD11 LEU 29 HD11 LEU 29 19.856 -14.366 -10.721 199 HD12 LEU 29 HD12 LEU 29 21.048 -15.665 -10.739 200 HD13 LEU 29 HD13 LEU 29 20.817 -14.702 -9.280 201 HD21 LEU 29 HD21 LEU 29 18.767 -17.074 -7.805 202 HD22 LEU 29 HD22 LEU 29 18.588 -15.320 -7.790 203 HD23 LEU 29 HD23 LEU 29 20.196 -16.044 -7.731 204 H TRP 30 H TRP 30 14.616 -18.010 -10.491 205 HA TRP 30 HA TRP 30 13.060 -15.549 -10.880 206 HB2 TRP 30 HB2 TRP 30 12.056 -16.333 -12.875 207 HB3 TRP 30 HB3 TRP 30 13.781 -16.629 -13.074 208 HD1 TRP 30 HD1 TRP 30 14.291 -19.355 -11.862 209 HE1 TRP 30 HE1 TRP 30 13.149 -21.495 -12.722 210 HE3 TRP 30 HE3 TRP 30 10.241 -17.246 -14.161 211 HZ2 TRP 30 HZ2 TRP 30 10.837 -22.196 -14.182 212 HZ3 TRP 30 HZ3 TRP 30 8.612 -18.721 -15.267 213 HH2 TRP 30 HH2 TRP 30 8.906 -21.145 -15.276 214 H CYS 31 H CYS 31 10.808 -15.747 -10.473 215 HA CYS 31 HA CYS 31 10.193 -17.559 -8.353 216 HB2 CYS 31 HB2 CYS 31 8.233 -15.822 -9.854 217 HB3 CYS 31 HB3 CYS 31 8.095 -16.427 -8.206 218 H LYS 32 H LYS 32 9.735 -19.627 -8.673 219 HA LYS 32 HA LYS 32 8.563 -20.508 -11.187 220 HB2 LYS 32 HB2 LYS 32 9.941 -21.831 -8.901 221 HB3 LYS 32 HB3 LYS 32 8.821 -22.797 -9.853 222 HG2 LYS 32 HG2 LYS 32 10.087 -22.192 -11.886 223 HG3 LYS 32 HG3 LYS 32 11.247 -21.333 -10.871 224 HD2 LYS 32 HD2 LYS 32 12.270 -23.389 -11.125 225 HD3 LYS 32 HD3 LYS 32 11.403 -23.604 -9.602 226 HE2 LYS 32 HE2 LYS 32 11.045 -25.550 -10.947 227 HE3 LYS 32 HE3 LYS 32 9.538 -24.638 -10.889 228 HZ1 LYS 32 HZ1 LYS 32 9.708 -24.036 -13.071 229 HZ2 LYS 32 HZ2 LYS 32 10.448 -25.555 -13.136 230 HZ3 LYS 32 HZ3 LYS 32 11.395 -24.153 -13.107 231 H TYR 33 H TYR 33 6.956 -22.476 -10.806 232 HA TYR 33 HA TYR 33 4.686 -21.318 -9.414 233 HB2 TYR 33 HB2 TYR 33 3.422 -23.188 -10.499 234 HB3 TYR 33 HB3 TYR 33 4.256 -22.134 -11.635 235 HD1 TYR 33 HD1 TYR 33 4.453 -25.423 -9.935 236 HD2 TYR 33 HD2 TYR 33 5.855 -22.997 -13.138 237 HE1 TYR 33 HE1 TYR 33 5.568 -27.380 -10.922 238 HE2 TYR 33 HE2 TYR 33 6.973 -24.948 -14.134 239 HH TYR 33 HH TYR 33 7.025 -27.260 -14.093 240 H LYS 34 H LYS 34 3.600 -22.237 -7.713 241 HA LYS 34 HA LYS 34 5.105 -24.219 -6.188 242 HB2 LYS 34 HB2 LYS 34 3.974 -21.932 -5.368 243 HB3 LYS 34 HB3 LYS 34 2.612 -23.013 -5.108 244 HG2 LYS 34 HG2 LYS 34 4.389 -24.483 -3.881 245 HG3 LYS 34 HG3 LYS 34 5.273 -22.959 -3.770 246 HD2 LYS 34 HD2 LYS 34 3.973 -23.187 -1.780 247 HD3 LYS 34 HD3 LYS 34 3.214 -21.939 -2.771 248 HE2 LYS 34 HE2 LYS 34 1.427 -23.303 -3.343 249 HE3 LYS 34 HE3 LYS 34 2.313 -24.784 -2.984 250 HZ1 LYS 34 HZ1 LYS 34 1.537 -22.841 -0.888 251 HZ2 LYS 34 HZ2 LYS 34 2.071 -24.433 -0.684 252 HZ3 LYS 34 HZ3 LYS 34 0.544 -24.131 -1.346 253 H ILE 35 H ILE 35 2.172 -23.883 -7.999 254 HA ILE 35 HA ILE 35 0.807 -26.129 -6.892 255 HB ILE 35 HB ILE 35 0.414 -24.802 -9.577 256 HG12 ILE 35 HG12 ILE 35 -1.673 -23.992 -8.064 257 HG13 ILE 35 HG13 ILE 35 -0.437 -24.129 -6.820 258 HG21 ILE 35 HG21 ILE 35 -1.838 -25.802 -9.468 259 HG22 ILE 35 HG22 ILE 35 -0.559 -27.013 -9.535 260 HG23 ILE 35 HG23 ILE 35 -1.362 -26.663 -8.005 261 HD11 ILE 35 HD11 ILE 35 0.743 -22.777 -8.983 262 HD12 ILE 35 HD12 ILE 35 -0.847 -22.057 -8.727 263 HD13 ILE 35 HD13 ILE 35 0.309 -22.135 -7.399 264 H TRP 36 H TRP 36 0.885 -28.233 -7.427 265 HA TRP 36 HA TRP 36 2.871 -29.033 -9.430 266 HB2 TRP 36 HB2 TRP 36 2.662 -31.290 -8.329 267 HB3 TRP 36 HB3 TRP 36 3.279 -30.013 -7.286 268 HD1 TRP 36 HD1 TRP 36 -0.137 -31.715 -8.015 269 HE1 TRP 36 HE1 TRP 36 -1.446 -31.834 -5.802 270 HE3 TRP 36 HE3 TRP 36 3.177 -29.276 -4.982 271 HZ2 TRP 36 HZ2 TRP 36 -1.116 -31.002 -3.124 272 HZ3 TRP 36 HZ3 TRP 36 2.605 -28.978 -2.608 273 HH2 TRP 36 HH2 TRP 36 0.502 -29.823 -1.700 Start of MODEL 20 1 H SER 1 H SER 1 -0.254 -1.978 0.727 2 HA SER 1 HA SER 1 -1.771 -3.279 -1.437 3 HB2 SER 1 HB2 SER 1 -1.219 -0.331 -1.053 4 HB3 SER 1 HB3 SER 1 -1.788 -1.021 -2.574 5 HG SER 1 HG SER 1 -3.189 -0.402 -0.357 6 H GLU 2 H GLU 2 0.942 -3.761 -0.428 7 HA GLU 2 HA GLU 2 2.892 -2.594 -2.077 8 HB2 GLU 2 HB2 GLU 2 3.172 -4.032 0.051 9 HB3 GLU 2 HB3 GLU 2 3.092 -5.408 -1.042 10 HG2 GLU 2 HG2 GLU 2 5.074 -4.822 -2.120 11 HG3 GLU 2 HG3 GLU 2 5.034 -3.176 -1.492 12 H ASP 3 H ASP 3 3.421 -2.890 -4.142 13 HA ASP 3 HA ASP 3 1.879 -4.701 -5.763 14 HB2 ASP 3 HB2 ASP 3 4.166 -2.862 -6.504 15 HB3 ASP 3 HB3 ASP 3 3.139 -3.722 -7.647 16 H CYS 4 H CYS 4 2.451 -6.782 -5.203 17 HA CYS 4 HA CYS 4 5.068 -7.729 -4.857 18 HB2 CYS 4 HB2 CYS 4 4.137 -9.929 -4.954 19 HB3 CYS 4 HB3 CYS 4 2.946 -8.899 -4.167 20 H LEU 5 H LEU 5 6.070 -9.443 -6.291 21 HA LEU 5 HA LEU 5 6.384 -8.318 -8.937 22 HB2 LEU 5 HB2 LEU 5 7.791 -10.412 -7.337 23 HB3 LEU 5 HB3 LEU 5 8.045 -10.323 -9.079 24 HG LEU 5 HG LEU 5 8.524 -7.995 -7.230 25 HD11 LEU 5 HD11 LEU 5 10.940 -8.596 -7.495 26 HD12 LEU 5 HD12 LEU 5 10.417 -10.152 -8.135 27 HD13 LEU 5 HD13 LEU 5 10.007 -9.697 -6.481 28 HD21 LEU 5 HD21 LEU 5 9.591 -6.982 -9.038 29 HD22 LEU 5 HD22 LEU 5 8.162 -7.723 -9.758 30 HD23 LEU 5 HD23 LEU 5 9.738 -8.500 -9.925 31 H GLY 6 H GLY 6 6.790 -10.153 -10.705 32 HA2 GLY 6 HA2 GLY 6 4.252 -11.631 -10.825 33 HA3 GLY 6 HA3 GLY 6 5.237 -11.173 -12.207 34 H TRP 7 H TRP 7 4.402 -13.678 -12.229 35 HA TRP 7 HA TRP 7 6.107 -15.511 -10.863 36 HB2 TRP 7 HB2 TRP 7 5.022 -17.221 -12.130 37 HB3 TRP 7 HB3 TRP 7 3.795 -16.020 -11.738 38 HD1 TRP 7 HD1 TRP 7 3.438 -14.122 -13.866 39 HE1 TRP 7 HE1 TRP 7 3.195 -14.667 -16.370 40 HE3 TRP 7 HE3 TRP 7 5.549 -18.779 -13.894 41 HZ2 TRP 7 HZ2 TRP 7 3.815 -16.788 -18.125 42 HZ3 TRP 7 HZ3 TRP 7 5.686 -19.999 -16.027 43 HH2 TRP 7 HH2 TRP 7 4.835 -19.023 -18.097 44 H ALA 8 H ALA 8 6.204 -13.888 -13.959 45 HA ALA 8 HA ALA 8 8.540 -15.439 -14.789 46 HB1 ALA 8 HB1 ALA 8 7.251 -13.235 -16.367 47 HB2 ALA 8 HB2 ALA 8 8.228 -14.583 -16.948 48 HB3 ALA 8 HB3 ALA 8 6.597 -14.872 -16.343 49 H SER 9 H SER 9 8.597 -13.501 -12.548 50 HA SER 9 HA SER 9 10.418 -11.467 -13.632 51 HB2 SER 9 HB2 SER 9 8.924 -11.627 -11.008 52 HB3 SER 9 HB3 SER 9 10.132 -10.392 -11.366 53 HG SER 9 HG SER 9 7.919 -10.851 -13.062 54 H ARG 10 H ARG 10 12.333 -10.935 -12.296 55 HA ARG 10 HA ARG 10 13.675 -13.394 -11.510 56 HB2 ARG 10 HB2 ARG 10 15.712 -12.189 -11.697 57 HB3 ARG 10 HB3 ARG 10 14.713 -11.675 -13.050 58 HG2 ARG 10 HG2 ARG 10 15.414 -9.639 -12.377 59 HG3 ARG 10 HG3 ARG 10 14.029 -9.789 -11.295 60 HD2 ARG 10 HD2 ARG 10 15.553 -9.289 -9.710 61 HD3 ARG 10 HD3 ARG 10 15.916 -11.010 -9.816 62 HE ARG 10 HE ARG 10 17.529 -9.880 -11.692 63 HH11 ARG 10 HH11 ARG 10 17.002 -9.351 -8.292 64 HH12 ARG 10 HH12 ARG 10 18.625 -8.824 -7.989 65 HH21 ARG 10 HH21 ARG 10 19.669 -9.188 -11.306 66 HH22 ARG 10 HH22 ARG 10 20.140 -8.730 -9.705 67 H CYS 11 H CYS 11 14.878 -13.569 -9.535 68 HA CYS 11 HA CYS 11 14.630 -11.686 -7.426 69 HB2 CYS 11 HB2 CYS 11 13.094 -12.803 -5.973 70 HB3 CYS 11 HB3 CYS 11 12.291 -12.620 -7.529 71 H SER 12 H SER 12 15.232 -12.827 -5.249 72 HA SER 12 HA SER 12 17.192 -14.954 -5.789 73 HB2 SER 12 HB2 SER 12 18.823 -13.461 -5.377 74 HB3 SER 12 HB3 SER 12 17.670 -12.254 -4.805 75 HG SER 12 HG SER 12 19.131 -12.925 -3.165 76 HA PRO 13 HA PRO 13 15.613 -17.076 -2.290 77 HB2 PRO 13 HB2 PRO 13 17.855 -18.145 -1.194 78 HB3 PRO 13 HB3 PRO 13 17.158 -18.723 -2.711 79 HG2 PRO 13 HG2 PRO 13 19.460 -16.861 -2.273 80 HG3 PRO 13 HG3 PRO 13 19.307 -18.198 -3.426 81 HD2 PRO 13 HD2 PRO 13 18.962 -15.610 -4.143 82 HD3 PRO 13 HD3 PRO 13 18.076 -16.941 -4.914 83 H LYS 14 H LYS 14 18.155 -14.735 -1.762 84 HA LYS 14 HA LYS 14 17.761 -14.668 1.106 85 HB2 LYS 14 HB2 LYS 14 19.371 -12.803 -0.648 86 HB3 LYS 14 HB3 LYS 14 19.461 -12.928 1.104 87 HG2 LYS 14 HG2 LYS 14 20.259 -15.039 -0.887 88 HG3 LYS 14 HG3 LYS 14 21.339 -14.053 0.101 89 HD2 LYS 14 HD2 LYS 14 19.314 -16.033 1.148 90 HD3 LYS 14 HD3 LYS 14 21.052 -16.311 1.026 91 HE2 LYS 14 HE2 LYS 14 19.737 -14.153 2.673 92 HE3 LYS 14 HE3 LYS 14 20.356 -15.680 3.301 93 HZ1 LYS 14 HZ1 LYS 14 22.118 -14.301 3.682 94 HZ2 LYS 14 HZ2 LYS 14 21.830 -13.342 2.318 95 HZ3 LYS 14 HZ3 LYS 14 22.532 -14.871 2.144 96 H ASN 15 H ASN 15 16.899 -12.741 -1.712 97 HA ASN 15 HA ASN 15 15.089 -11.179 0.005 98 HB2 ASN 15 HB2 ASN 15 16.980 -10.219 -2.120 99 HB3 ASN 15 HB3 ASN 15 15.502 -9.322 -1.784 100 HD21 ASN 15 HD21 ASN 15 18.622 -9.240 -1.204 101 HD22 ASN 15 HD22 ASN 15 18.656 -8.579 0.392 102 H ASP 16 H ASP 16 13.658 -12.989 -0.726 103 HA ASP 16 HA ASP 16 12.727 -12.724 -3.484 104 HB2 ASP 16 HB2 ASP 16 13.036 -14.994 -2.849 105 HB3 ASP 16 HB3 ASP 16 12.194 -14.756 -1.320 106 H LYS 17 H LYS 17 11.178 -11.304 -3.887 107 HA LYS 17 HA LYS 17 9.062 -10.923 -1.873 108 HB2 LYS 17 HB2 LYS 17 10.422 -8.858 -3.604 109 HB3 LYS 17 HB3 LYS 17 8.898 -8.557 -2.779 110 HG2 LYS 17 HG2 LYS 17 10.274 -7.727 -1.200 111 HG3 LYS 17 HG3 LYS 17 10.334 -9.419 -0.700 112 HD2 LYS 17 HD2 LYS 17 12.578 -8.808 -0.763 113 HD3 LYS 17 HD3 LYS 17 12.334 -9.589 -2.328 114 HE2 LYS 17 HE2 LYS 17 11.772 -7.142 -3.098 115 HE3 LYS 17 HE3 LYS 17 12.719 -6.704 -1.676 116 HZ1 LYS 17 HZ1 LYS 17 13.801 -7.109 -4.051 117 HZ2 LYS 17 HZ2 LYS 17 13.882 -8.692 -3.459 118 HZ3 LYS 17 HZ3 LYS 17 14.625 -7.433 -2.609 119 H CYS 18 H CYS 18 8.468 -12.826 -3.509 120 HA CYS 18 HA CYS 18 6.939 -11.644 -5.732 121 HB2 CYS 18 HB2 CYS 18 8.298 -14.279 -5.371 122 HB3 CYS 18 HB3 CYS 18 6.862 -14.208 -6.388 123 H CYS 19 H CYS 19 4.813 -12.485 -6.154 124 HA CYS 19 HA CYS 19 3.127 -12.537 -3.969 125 HB2 CYS 19 HB2 CYS 19 2.861 -13.318 -6.829 126 HB3 CYS 19 HB3 CYS 19 1.598 -13.853 -5.724 127 HA PRO 20 HA PRO 20 3.188 -16.566 -2.234 128 HB2 PRO 20 HB2 PRO 20 0.566 -17.016 -1.697 129 HB3 PRO 20 HB3 PRO 20 1.549 -15.865 -0.785 130 HG2 PRO 20 HG2 PRO 20 -0.385 -15.355 -3.011 131 HG3 PRO 20 HG3 PRO 20 -0.161 -14.461 -1.496 132 HD2 PRO 20 HD2 PRO 20 0.859 -13.609 -3.855 133 HD3 PRO 20 HD3 PRO 20 1.663 -13.304 -2.301 134 H ASN 21 H ASN 21 1.979 -18.767 -2.345 135 HA ASN 21 HA ASN 21 1.435 -20.617 -3.552 136 HB2 ASN 21 HB2 ASN 21 -0.547 -19.105 -4.125 137 HB3 ASN 21 HB3 ASN 21 0.277 -18.784 -5.648 138 HD21 ASN 21 HD21 ASN 21 -0.527 -21.585 -3.619 139 HD22 ASN 21 HD22 ASN 21 -1.086 -22.578 -4.919 140 H TYR 22 H TYR 22 3.957 -19.130 -4.015 141 HA TYR 22 HA TYR 22 4.653 -20.401 -6.566 142 HB2 TYR 22 HB2 TYR 22 5.231 -17.561 -5.745 143 HB3 TYR 22 HB3 TYR 22 6.216 -18.394 -6.943 144 HD1 TYR 22 HD1 TYR 22 4.259 -19.890 -8.493 145 HD2 TYR 22 HD2 TYR 22 3.997 -15.962 -6.881 146 HE1 TYR 22 HE1 TYR 22 2.643 -19.286 -10.245 147 HE2 TYR 22 HE2 TYR 22 2.379 -15.346 -8.629 148 HH TYR 22 HH TYR 22 1.594 -17.544 -11.261 149 H LYS 23 H LYS 23 7.215 -20.173 -6.783 150 HA LYS 23 HA LYS 23 8.540 -20.531 -4.215 151 HB2 LYS 23 HB2 LYS 23 7.562 -22.764 -5.241 152 HB3 LYS 23 HB3 LYS 23 9.001 -22.672 -6.248 153 HG2 LYS 23 HG2 LYS 23 9.710 -23.978 -4.490 154 HG3 LYS 23 HG3 LYS 23 10.253 -22.372 -4.001 155 HD2 LYS 23 HD2 LYS 23 8.122 -22.161 -2.688 156 HD3 LYS 23 HD3 LYS 23 7.819 -23.865 -3.037 157 HE2 LYS 23 HE2 LYS 23 10.377 -22.935 -1.769 158 HE3 LYS 23 HE3 LYS 23 8.940 -23.286 -0.811 159 HZ1 LYS 23 HZ1 LYS 23 10.691 -25.111 -2.272 160 HZ2 LYS 23 HZ2 LYS 23 9.044 -25.495 -2.219 161 HZ3 LYS 23 HZ3 LYS 23 9.917 -25.316 -0.782 162 H CYS 24 H CYS 24 10.123 -19.081 -4.416 163 HA CYS 24 HA CYS 24 11.255 -18.196 -6.817 164 HB2 CYS 24 HB2 CYS 24 11.326 -17.143 -4.450 165 HB3 CYS 24 HB3 CYS 24 12.756 -18.144 -4.213 166 H SER 25 H SER 25 12.282 -19.478 -8.209 167 HA SER 25 HA SER 25 13.814 -21.758 -7.332 168 HB2 SER 25 HB2 SER 25 12.517 -21.954 -9.374 169 HB3 SER 25 HB3 SER 25 13.364 -20.580 -10.084 170 HG SER 25 HG SER 25 14.245 -23.199 -9.664 171 H SER 26 H SER 26 15.805 -21.543 -6.576 172 HA SER 26 HA SER 26 17.405 -19.232 -7.012 173 HB2 SER 26 HB2 SER 26 18.503 -21.850 -6.016 174 HB3 SER 26 HB3 SER 26 18.964 -20.211 -5.557 175 HG SER 26 HG SER 26 17.129 -21.817 -4.442 176 H LYS 27 H LYS 27 16.914 -22.098 -8.783 177 HA LYS 27 HA LYS 27 19.432 -22.423 -10.000 178 HB2 LYS 27 HB2 LYS 27 16.651 -23.289 -10.585 179 HB3 LYS 27 HB3 LYS 27 17.796 -23.341 -11.918 180 HG2 LYS 27 HG2 LYS 27 17.933 -25.465 -11.012 181 HG3 LYS 27 HG3 LYS 27 19.311 -24.632 -10.290 182 HD2 LYS 27 HD2 LYS 27 16.725 -24.547 -8.831 183 HD3 LYS 27 HD3 LYS 27 17.611 -26.074 -8.842 184 HE2 LYS 27 HE2 LYS 27 19.124 -23.593 -8.228 185 HE3 LYS 27 HE3 LYS 27 18.023 -24.209 -6.996 186 HZ1 LYS 27 HZ1 LYS 27 19.581 -25.654 -6.429 187 HZ2 LYS 27 HZ2 LYS 27 20.591 -25.137 -7.684 188 HZ3 LYS 27 HZ3 LYS 27 19.472 -26.377 -7.955 189 H ASP 28 H ASP 28 16.495 -20.886 -11.326 190 HA ASP 28 HA ASP 28 18.210 -19.391 -13.184 191 HB2 ASP 28 HB2 ASP 28 15.592 -20.624 -13.409 192 HB3 ASP 28 HB3 ASP 28 15.550 -18.932 -13.894 193 H LEU 29 H LEU 29 17.212 -18.922 -10.227 194 HA LEU 29 HA LEU 29 16.633 -17.153 -8.912 195 HB2 LEU 29 HB2 LEU 29 17.825 -15.578 -11.188 196 HB3 LEU 29 HB3 LEU 29 17.589 -15.007 -9.538 197 HG LEU 29 HG LEU 29 19.375 -17.339 -10.182 198 HD11 LEU 29 HD11 LEU 29 19.832 -14.873 -11.212 199 HD12 LEU 29 HD12 LEU 29 21.094 -16.024 -10.771 200 HD13 LEU 29 HD13 LEU 29 20.635 -14.744 -9.648 201 HD21 LEU 29 HD21 LEU 29 20.434 -16.533 -8.032 202 HD22 LEU 29 HD22 LEU 29 18.829 -17.249 -7.886 203 HD23 LEU 29 HD23 LEU 29 19.023 -15.497 -7.832 204 H TRP 30 H TRP 30 14.534 -18.097 -10.498 205 HA TRP 30 HA TRP 30 12.989 -15.621 -10.840 206 HB2 TRP 30 HB2 TRP 30 12.015 -16.341 -12.872 207 HB3 TRP 30 HB3 TRP 30 13.740 -16.653 -13.052 208 HD1 TRP 30 HD1 TRP 30 14.185 -19.417 -11.885 209 HE1 TRP 30 HE1 TRP 30 13.035 -21.520 -12.823 210 HE3 TRP 30 HE3 TRP 30 10.227 -17.194 -14.236 211 HZ2 TRP 30 HZ2 TRP 30 10.752 -22.151 -14.359 212 HZ3 TRP 30 HZ3 TRP 30 8.606 -18.619 -15.418 213 HH2 TRP 30 HH2 TRP 30 8.865 -21.046 -15.477 214 H CYS 31 H CYS 31 10.756 -15.797 -10.411 215 HA CYS 31 HA CYS 31 10.099 -17.646 -8.356 216 HB2 CYS 31 HB2 CYS 31 8.159 -15.916 -9.894 217 HB3 CYS 31 HB3 CYS 31 7.978 -16.542 -8.259 218 H LYS 32 H LYS 32 9.736 -19.728 -8.735 219 HA LYS 32 HA LYS 32 8.569 -20.591 -11.258 220 HB2 LYS 32 HB2 LYS 32 10.047 -21.895 -9.035 221 HB3 LYS 32 HB3 LYS 32 8.905 -22.893 -9.926 222 HG2 LYS 32 HG2 LYS 32 10.074 -22.152 -12.029 223 HG3 LYS 32 HG3 LYS 32 11.313 -21.445 -10.990 224 HD2 LYS 32 HD2 LYS 32 12.178 -23.546 -11.475 225 HD3 LYS 32 HD3 LYS 32 11.407 -23.792 -9.906 226 HE2 LYS 32 HE2 LYS 32 9.447 -24.731 -10.999 227 HE3 LYS 32 HE3 LYS 32 10.167 -24.434 -12.581 228 HZ1 LYS 32 HZ1 LYS 32 11.932 -25.978 -12.040 229 HZ2 LYS 32 HZ2 LYS 32 10.430 -26.739 -11.882 230 HZ3 LYS 32 HZ3 LYS 32 11.278 -26.245 -10.504 231 H TYR 33 H TYR 33 7.027 -22.613 -10.910 232 HA TYR 33 HA TYR 33 4.718 -21.552 -9.519 233 HB2 TYR 33 HB2 TYR 33 3.538 -23.489 -10.567 234 HB3 TYR 33 HB3 TYR 33 4.343 -22.438 -11.726 235 HD1 TYR 33 HD1 TYR 33 4.544 -25.698 -9.997 236 HD2 TYR 33 HD2 TYR 33 6.085 -23.258 -13.124 237 HE1 TYR 33 HE1 TYR 33 5.736 -27.642 -10.920 238 HE2 TYR 33 HE2 TYR 33 7.279 -25.196 -14.056 239 HH TYR 33 HH TYR 33 8.080 -27.333 -13.442 240 H LYS 34 H LYS 34 3.705 -22.442 -7.773 241 HA LYS 34 HA LYS 34 5.290 -24.273 -6.170 242 HB2 LYS 34 HB2 LYS 34 3.939 -22.098 -5.443 243 HB3 LYS 34 HB3 LYS 34 2.640 -23.268 -5.252 244 HG2 LYS 34 HG2 LYS 34 4.495 -24.584 -3.914 245 HG3 LYS 34 HG3 LYS 34 5.163 -22.962 -3.721 246 HD2 LYS 34 HD2 LYS 34 3.769 -23.290 -1.851 247 HD3 LYS 34 HD3 LYS 34 2.844 -22.264 -2.948 248 HE2 LYS 34 HE2 LYS 34 1.863 -24.490 -3.822 249 HE3 LYS 34 HE3 LYS 34 2.483 -25.172 -2.319 250 HZ1 LYS 34 HZ1 LYS 34 0.074 -24.213 -2.460 251 HZ2 LYS 34 HZ2 LYS 34 0.854 -22.737 -2.188 252 HZ3 LYS 34 HZ3 LYS 34 1.005 -23.993 -1.065 253 H ILE 35 H ILE 35 2.418 -24.290 -8.102 254 HA ILE 35 HA ILE 35 0.999 -26.423 -7.052 255 HB ILE 35 HB ILE 35 1.362 -25.757 -9.976 256 HG12 ILE 35 HG12 ILE 35 -0.897 -24.928 -8.156 257 HG13 ILE 35 HG13 ILE 35 0.525 -23.922 -8.416 258 HG21 ILE 35 HG21 ILE 35 -1.144 -26.767 -9.730 259 HG22 ILE 35 HG22 ILE 35 0.266 -27.699 -10.235 260 HG23 ILE 35 HG23 ILE 35 -0.263 -27.742 -8.554 261 HD11 ILE 35 HD11 ILE 35 -1.801 -24.342 -10.102 262 HD12 ILE 35 HD12 ILE 35 -0.620 -23.031 -10.098 263 HD13 ILE 35 HD13 ILE 35 -0.276 -24.525 -10.970 264 H TRP 36 H TRP 36 1.214 -28.586 -7.040 265 HA TRP 36 HA TRP 36 3.217 -29.848 -8.753 266 HB2 TRP 36 HB2 TRP 36 4.166 -29.217 -6.429 267 HB3 TRP 36 HB3 TRP 36 3.155 -30.526 -5.824 268 HD1 TRP 36 HD1 TRP 36 5.882 -30.081 -8.561 269 HE1 TRP 36 HE1 TRP 36 7.309 -32.222 -8.604 270 HE3 TRP 36 HE3 TRP 36 3.384 -32.790 -5.018 271 HZ2 TRP 36 HZ2 TRP 36 7.368 -34.728 -7.308 272 HZ3 TRP 36 HZ3 TRP 36 4.189 -35.051 -4.478 273 HH2 TRP 36 HH2 TRP 36 6.140 -35.999 -5.601
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