NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
504207 | 2e5r | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -21.056 4.812 3.175 2 HA2 GLY 1 1HA GLY 1 -18.498 6.122 3.864 3 HA3 GLY 1 2HA GLY 1 -18.717 5.228 2.367 4 H SER 2 H SER 2 -17.839 7.789 2.232 5 HA SER 2 HA SER 2 -19.771 9.003 0.554 6 HB2 SER 2 1HB SER 2 -19.544 9.983 3.363 7 HB3 SER 2 2HB SER 2 -19.733 11.180 2.081 8 HG SER 2 HG SER 2 -21.776 10.710 2.365 9 H SER 3 H SER 3 -18.667 10.054 -0.957 10 HA SER 3 HA SER 3 -16.478 11.787 -0.383 11 HB2 SER 3 1HB SER 3 -14.710 10.552 -1.518 12 HB3 SER 3 2HB SER 3 -15.337 9.592 -0.178 13 HG SER 3 HG SER 3 -15.663 9.227 -2.943 14 H GLY 4 H GLY 4 -15.460 12.608 -2.450 15 HA2 GLY 4 1HA GLY 4 -17.555 12.739 -4.523 16 HA3 GLY 4 2HA GLY 4 -16.403 14.021 -4.179 17 H SER 5 H SER 5 -16.908 12.919 -6.745 18 HA SER 5 HA SER 5 -14.486 11.355 -7.294 19 HB2 SER 5 1HB SER 5 -15.510 10.843 -9.462 20 HB3 SER 5 2HB SER 5 -16.610 10.433 -8.146 21 HG SER 5 HG SER 5 -16.734 12.944 -9.426 22 H SER 6 H SER 6 -14.085 14.024 -6.663 23 HA SER 6 HA SER 6 -13.215 15.101 -9.261 24 HB2 SER 6 1HB SER 6 -14.241 16.737 -6.929 25 HB3 SER 6 2HB SER 6 -13.682 17.367 -8.478 26 HG SER 6 HG SER 6 -16.074 16.964 -8.053 27 H GLY 7 H GLY 7 -11.625 13.470 -7.672 28 HA2 GLY 7 1HA GLY 7 -9.285 15.002 -7.430 29 HA3 GLY 7 2HA GLY 7 -9.988 14.822 -5.829 30 H VAL 8 H VAL 8 -10.112 12.751 -4.886 31 HA VAL 8 HA VAL 8 -7.959 11.014 -5.646 32 HB VAL 8 HB VAL 8 -8.631 9.652 -3.713 33 HG11 VAL 8 1HG1 VAL 8 -8.818 12.356 -2.567 34 HG12 VAL 8 2HG1 VAL 8 -7.657 11.064 -2.253 35 HG13 VAL 8 3HG1 VAL 8 -7.470 12.093 -3.673 36 HG21 VAL 8 1HG2 VAL 8 -10.914 11.611 -3.491 37 HG22 VAL 8 2HG2 VAL 8 -11.039 9.893 -3.867 38 HG23 VAL 8 3HG2 VAL 8 -10.483 10.409 -2.275 39 H PHE 9 H PHE 9 -8.037 9.030 -6.584 40 HA PHE 9 HA PHE 9 -10.662 7.890 -7.226 41 HB2 PHE 9 1HB PHE 9 -10.287 7.759 -9.505 42 HB3 PHE 9 2HB PHE 9 -9.526 9.301 -9.128 43 HD1 PHE 9 2HD PHE 9 -6.959 9.028 -8.389 44 HD2 PHE 9 1HD PHE 9 -9.131 6.344 -10.877 45 HE1 PHE 9 2HE PHE 9 -4.846 8.223 -9.358 46 HE2 PHE 9 1HE PHE 9 -7.021 5.533 -11.849 47 HZ PHE 9 HZ PHE 9 -4.875 6.473 -11.091 48 H HIS 10 H HIS 10 -10.727 5.862 -6.547 49 HA HIS 10 HA HIS 10 -10.080 3.804 -5.812 50 HB2 HIS 10 1HB HIS 10 -8.298 4.184 -8.215 51 HB3 HIS 10 2HB HIS 10 -8.333 2.679 -7.301 52 HD1 HIS 10 1HD HIS 10 -9.468 1.155 -8.926 53 HD2 HIS 10 2HD HIS 10 -11.527 4.725 -8.397 54 HE1 HIS 10 1HE HIS 10 -11.642 0.867 -10.157 55 HA PRO 11 HA PRO 11 -6.294 5.710 -3.720 56 HB2 PRO 11 1HB PRO 11 -7.459 6.180 -1.313 57 HB3 PRO 11 2HB PRO 11 -7.453 7.364 -2.624 58 HG2 PRO 11 1HG PRO 11 -9.619 5.475 -1.789 59 HG3 PRO 11 2HG PRO 11 -9.741 7.182 -2.254 60 HD2 PRO 11 1HD PRO 11 -10.349 5.163 -3.952 61 HD3 PRO 11 2HD PRO 11 -9.665 6.704 -4.507 62 H VAL 12 H VAL 12 -5.591 5.016 -1.339 63 HA VAL 12 HA VAL 12 -5.400 2.172 -1.397 64 HB VAL 12 HB VAL 12 -4.538 4.136 0.731 65 HG11 VAL 12 1HG1 VAL 12 -4.258 1.178 0.487 66 HG12 VAL 12 2HG1 VAL 12 -2.957 2.109 1.232 67 HG13 VAL 12 3HG1 VAL 12 -4.584 2.165 1.912 68 HG21 VAL 12 1HG2 VAL 12 -2.891 2.729 -1.366 69 HG22 VAL 12 2HG2 VAL 12 -3.470 4.389 -1.505 70 HG23 VAL 12 3HG2 VAL 12 -2.341 3.954 -0.222 71 H GLU 13 H GLU 13 -7.497 1.358 -1.174 72 HA GLU 13 HA GLU 13 -8.660 1.676 1.515 73 HB2 GLU 13 1HB GLU 13 -9.974 1.517 -1.175 74 HB3 GLU 13 2HB GLU 13 -10.837 0.977 0.258 75 HG2 GLU 13 1HG GLU 13 -10.655 3.158 1.252 76 HG3 GLU 13 2HG GLU 13 -9.646 3.719 -0.081 77 H CYS 14 H CYS 14 -9.049 -0.130 2.659 78 HA CYS 14 HA CYS 14 -7.943 -2.597 1.812 79 HB2 CYS 14 1HB CYS 14 -8.384 -1.599 4.222 80 HB3 CYS 14 2HB CYS 14 -9.901 -2.478 4.066 81 H SER 15 H SER 15 -9.419 -4.660 2.281 82 HA SER 15 HA SER 15 -11.626 -4.442 0.367 83 HB2 SER 15 1HB SER 15 -10.060 -6.133 -0.253 84 HB3 SER 15 2HB SER 15 -10.028 -6.797 1.381 85 HG SER 15 HG SER 15 -11.364 -7.916 -0.267 86 H TYR 16 H TYR 16 -10.889 -5.500 3.643 87 HA TYR 16 HA TYR 16 -13.711 -6.126 4.107 88 HB2 TYR 16 1HB TYR 16 -12.018 -7.772 4.839 89 HB3 TYR 16 2HB TYR 16 -11.319 -6.560 5.907 90 HD1 TYR 16 2HD TYR 16 -12.935 -5.534 7.677 91 HD2 TYR 16 1HD TYR 16 -13.653 -9.206 5.651 92 HE1 TYR 16 2HE TYR 16 -14.483 -6.211 9.465 93 HE2 TYR 16 1HE TYR 16 -15.204 -9.892 7.432 94 HH TYR 16 HH TYR 16 -15.599 -7.991 10.358 95 H CYS 17 H CYS 17 -11.213 -4.643 6.163 96 HA CYS 17 HA CYS 17 -13.051 -3.066 7.608 97 HB2 CYS 17 1HB CYS 17 -11.210 -2.218 8.761 98 HB3 CYS 17 2HB CYS 17 -10.634 -3.792 8.220 99 H HIS 18 H HIS 18 -11.767 -2.690 4.505 100 HA HIS 18 HA HIS 18 -11.552 -0.905 3.067 101 HB2 HIS 18 1HB HIS 18 -14.280 -0.720 4.300 102 HB3 HIS 18 2HB HIS 18 -13.769 0.478 3.114 103 HD1 HIS 18 1HD HIS 18 -13.188 -0.468 0.693 104 HD2 HIS 18 2HD HIS 18 -15.096 -3.122 3.258 105 HE1 HIS 18 1HE HIS 18 -14.053 -2.317 -0.775 106 H SER 19 H SER 19 -9.945 -0.266 5.055 107 HA SER 19 HA SER 19 -10.559 2.033 6.552 108 HB2 SER 19 1HB SER 19 -8.646 0.522 7.031 109 HB3 SER 19 2HB SER 19 -7.835 1.128 5.587 110 HG SER 19 HG SER 19 -7.112 2.642 6.839 111 H GLU 20 H GLU 20 -9.250 4.126 6.273 112 HA GLU 20 HA GLU 20 -9.277 4.934 3.440 113 HB2 GLU 20 1HB GLU 20 -10.124 7.137 4.142 114 HB3 GLU 20 2HB GLU 20 -11.247 5.844 4.538 115 HG2 GLU 20 1HG GLU 20 -10.347 5.866 6.859 116 HG3 GLU 20 2HG GLU 20 -9.398 7.285 6.421 117 H SER 21 H SER 21 -8.013 5.632 6.676 118 HA SER 21 HA SER 21 -6.130 7.560 6.016 119 HB2 SER 21 1HB SER 21 -6.644 7.040 8.330 120 HB3 SER 21 2HB SER 21 -5.995 5.411 8.145 121 HG SER 21 HG SER 21 -4.016 6.170 8.280 122 H MET 22 H MET 22 -3.980 7.517 5.411 123 HA MET 22 HA MET 22 -3.162 5.110 3.978 124 HB2 MET 22 1HB MET 22 -2.263 7.977 3.934 125 HB3 MET 22 2HB MET 22 -1.277 6.712 3.212 126 HG2 MET 22 1HG MET 22 -3.266 6.078 1.831 127 HG3 MET 22 2HG MET 22 -4.065 7.524 2.443 128 HE1 MET 22 1HE MET 22 -0.827 7.241 -0.746 129 HE2 MET 22 2HE MET 22 -0.516 6.504 0.827 130 HE3 MET 22 3HE MET 22 -1.894 5.973 -0.140 131 H MET 23 H MET 23 -2.701 3.918 5.949 132 HA MET 23 HA MET 23 -0.038 4.585 7.011 133 HB2 MET 23 1HB MET 23 -2.459 3.607 8.520 134 HB3 MET 23 2HB MET 23 -0.829 3.487 9.168 135 HG2 MET 23 1HG MET 23 -1.903 6.112 8.227 136 HG3 MET 23 2HG MET 23 -2.307 5.491 9.826 137 HE1 MET 23 1HE MET 23 0.406 6.165 12.009 138 HE2 MET 23 2HE MET 23 -0.696 7.444 11.499 139 HE3 MET 23 3HE MET 23 -1.280 5.787 11.655 140 H GLY 24 H GLY 24 -2.442 1.980 6.644 141 HA2 GLY 24 1HA GLY 24 -0.504 -0.102 6.958 142 HA3 GLY 24 2HA GLY 24 -2.161 -0.297 6.407 143 H PHE 25 H PHE 25 -0.911 -1.914 5.040 144 HA PHE 25 HA PHE 25 -0.337 -0.635 2.471 145 HB2 PHE 25 1HB PHE 25 1.498 -2.441 4.005 146 HB3 PHE 25 2HB PHE 25 1.519 -2.472 2.245 147 HD1 PHE 25 1HD PHE 25 1.386 0.136 1.304 148 HD2 PHE 25 2HD PHE 25 3.209 -1.223 4.901 149 HE1 PHE 25 1HE PHE 25 2.873 2.096 1.286 150 HE2 PHE 25 2HE PHE 25 4.699 0.735 4.890 151 HZ PHE 25 HZ PHE 25 4.531 2.398 3.082 152 H ARG 26 H ARG 26 0.053 -2.569 0.801 153 HA ARG 26 HA ARG 26 -2.404 -4.093 0.883 154 HB2 ARG 26 1HB ARG 26 -1.213 -2.885 -1.154 155 HB3 ARG 26 2HB ARG 26 -0.393 -4.434 -1.293 156 HG2 ARG 26 1HG ARG 26 -3.350 -4.446 -1.048 157 HG3 ARG 26 2HG ARG 26 -2.640 -3.919 -2.575 158 HD2 ARG 26 1HD ARG 26 -1.820 -6.480 -1.237 159 HD3 ARG 26 2HD ARG 26 -3.207 -6.400 -2.323 160 HE ARG 26 HE ARG 26 -0.713 -5.362 -3.376 161 HH11 ARG 26 2HH1 ARG 26 -2.889 -8.067 -3.119 162 HH12 ARG 26 1HH1 ARG 26 -2.268 -8.868 -4.524 163 HH21 ARG 26 2HH2 ARG 26 0.114 -6.407 -5.227 164 HH22 ARG 26 1HH2 ARG 26 -0.559 -7.923 -5.722 165 H TYR 27 H TYR 27 -2.398 -5.894 2.072 166 HA TYR 27 HA TYR 27 -0.057 -7.673 1.900 167 HB2 TYR 27 1HB TYR 27 -2.116 -7.383 4.095 168 HB3 TYR 27 2HB TYR 27 -0.865 -8.621 4.066 169 HD1 TYR 27 1HD TYR 27 1.585 -7.505 3.545 170 HD2 TYR 27 2HD TYR 27 -1.689 -5.606 5.488 171 HE1 TYR 27 1HE TYR 27 3.146 -5.959 4.651 172 HE2 TYR 27 2HE TYR 27 -0.138 -4.054 6.598 173 HH TYR 27 HH TYR 27 2.218 -3.142 6.109 174 H ARG 28 H ARG 28 -0.483 -9.116 0.339 175 HA ARG 28 HA ARG 28 -3.163 -10.271 0.137 176 HB2 ARG 28 1HB ARG 28 -2.198 -9.479 -1.942 177 HB3 ARG 28 2HB ARG 28 -0.761 -10.459 -1.686 178 HG2 ARG 28 1HG ARG 28 -2.433 -12.444 -1.672 179 HG3 ARG 28 2HG ARG 28 -3.508 -11.304 -2.484 180 HD2 ARG 28 1HD ARG 28 -1.539 -10.885 -4.073 181 HD3 ARG 28 2HD ARG 28 -0.851 -12.361 -3.396 182 HE ARG 28 HE ARG 28 -3.559 -12.609 -4.376 183 HH11 ARG 28 2HH1 ARG 28 -0.166 -12.883 -5.105 184 HH12 ARG 28 1HH1 ARG 28 -0.406 -13.966 -6.436 185 HH21 ARG 28 2HH2 ARG 28 -3.888 -14.034 -6.126 186 HH22 ARG 28 1HH2 ARG 28 -2.523 -14.619 -7.017 187 H CYS 29 H CYS 29 -3.612 -12.163 1.035 188 HA CYS 29 HA CYS 29 -1.961 -13.670 2.603 189 HB2 CYS 29 1HB CYS 29 -4.295 -14.090 2.705 190 HB3 CYS 29 2HB CYS 29 -4.375 -14.482 0.991 191 H GLN 30 H GLN 30 -1.118 -15.881 2.283 192 HA GLN 30 HA GLN 30 0.653 -15.959 0.060 193 HB2 GLN 30 1HB GLN 30 0.007 -17.958 2.224 194 HB3 GLN 30 2HB GLN 30 1.211 -18.259 0.978 195 HG2 GLN 30 1HG GLN 30 2.211 -15.997 1.775 196 HG3 GLN 30 2HG GLN 30 1.266 -16.306 3.230 197 HE21 GLN 30 1HE2 GLN 30 4.227 -16.313 2.504 198 HE22 GLN 30 2HE2 GLN 30 4.808 -17.794 3.178 199 H GLN 31 H GLN 31 -1.579 -18.547 1.051 200 HA GLN 31 HA GLN 31 -2.061 -19.091 -1.800 201 HB2 GLN 31 1HB GLN 31 -1.028 -20.854 -0.203 202 HB3 GLN 31 2HB GLN 31 -2.664 -21.023 0.419 203 HG2 GLN 31 1HG GLN 31 -2.572 -22.686 -1.162 204 HG3 GLN 31 2HG GLN 31 -3.308 -21.362 -2.064 205 HE21 GLN 31 1HE2 GLN 31 -1.015 -23.711 -2.172 206 HE22 GLN 31 2HE2 GLN 31 0.011 -23.059 -3.399 207 H CYS 32 H CYS 32 -3.860 -18.043 -2.396 208 HA CYS 32 HA CYS 32 -6.388 -18.883 -1.483 209 HB2 CYS 32 1HB CYS 32 -5.244 -16.453 -0.221 210 HB3 CYS 32 2HB CYS 32 -6.924 -16.354 -0.739 211 H HIS 33 H HIS 33 -8.173 -17.504 -2.444 212 HA HIS 33 HA HIS 33 -7.474 -16.920 -5.176 213 HB2 HIS 33 1HB HIS 33 -10.111 -16.789 -3.701 214 HB3 HIS 33 2HB HIS 33 -9.927 -16.500 -5.429 215 HD1 HIS 33 1HD HIS 33 -8.526 -18.701 -6.596 216 HD2 HIS 33 2HD HIS 33 -10.910 -19.318 -3.250 217 HE1 HIS 33 1HE HIS 33 -9.057 -21.159 -6.593 218 H ASN 34 H ASN 34 -9.441 -15.033 -2.878 219 HA ASN 34 HA ASN 34 -7.971 -12.624 -3.691 220 HB2 ASN 34 1HB ASN 34 -10.220 -11.414 -3.650 221 HB3 ASN 34 2HB ASN 34 -9.915 -12.464 -5.031 222 HD21 ASN 34 1HD2 ASN 34 -11.282 -14.085 -5.444 223 HD22 ASN 34 2HD2 ASN 34 -12.621 -14.527 -4.445 224 H TYR 35 H TYR 35 -6.907 -12.704 -1.681 225 HA TYR 35 HA TYR 35 -8.581 -11.814 0.565 226 HB2 TYR 35 1HB TYR 35 -7.668 -14.299 0.596 227 HB3 TYR 35 2HB TYR 35 -6.188 -13.510 1.131 228 HD1 TYR 35 2HD TYR 35 -9.821 -13.754 1.919 229 HD2 TYR 35 1HD TYR 35 -5.901 -12.985 3.383 230 HE1 TYR 35 2HE TYR 35 -10.700 -13.679 4.215 231 HE2 TYR 35 1HE TYR 35 -6.768 -12.908 5.683 232 HH TYR 35 HH TYR 35 -9.573 -12.357 6.574 233 H GLN 36 H GLN 36 -8.006 -9.717 0.640 234 HA GLN 36 HA GLN 36 -5.136 -9.119 0.926 235 HB2 GLN 36 1HB GLN 36 -7.235 -7.767 -0.704 236 HB3 GLN 36 2HB GLN 36 -5.987 -6.771 0.032 237 HG2 GLN 36 1HG GLN 36 -4.313 -7.675 -1.250 238 HG3 GLN 36 2HG GLN 36 -5.189 -9.180 -1.523 239 HE21 GLN 36 1HE2 GLN 36 -7.367 -8.753 -2.706 240 HE22 GLN 36 2HE2 GLN 36 -7.242 -7.759 -4.114 241 H LEU 37 H LEU 37 -4.550 -7.962 2.669 242 HA LEU 37 HA LEU 37 -6.622 -6.562 4.201 243 HB2 LEU 37 1HB LEU 37 -4.646 -8.553 5.297 244 HB3 LEU 37 2HB LEU 37 -5.588 -7.449 6.297 245 HG LEU 37 HG LEU 37 -6.682 -9.657 4.555 246 HD11 LEU 37 1HD1 LEU 37 -6.898 -10.940 6.412 247 HD12 LEU 37 2HD1 LEU 37 -7.076 -9.555 7.488 248 HD13 LEU 37 3HD1 LEU 37 -5.478 -10.015 6.900 249 HD21 LEU 37 1HD2 LEU 37 -8.761 -8.965 6.039 250 HD22 LEU 37 2HD2 LEU 37 -8.422 -8.185 4.494 251 HD23 LEU 37 3HD2 LEU 37 -7.955 -7.396 6.002 252 H CYS 38 H CYS 38 -5.567 -5.226 6.003 253 HA CYS 38 HA CYS 38 -3.101 -4.011 4.941 254 HB2 CYS 38 1HB CYS 38 -3.871 -1.891 5.931 255 HB3 CYS 38 2HB CYS 38 -5.023 -2.513 4.753 256 H GLN 39 H GLN 39 -2.051 -2.602 6.797 257 HA GLN 39 HA GLN 39 -0.782 -4.237 8.560 258 HB2 GLN 39 1HB GLN 39 -0.161 -1.881 8.105 259 HB3 GLN 39 2HB GLN 39 -1.510 -1.353 9.102 260 HG2 GLN 39 1HG GLN 39 -0.519 -2.194 11.067 261 HG3 GLN 39 2HG GLN 39 0.683 -3.108 10.157 262 HE21 GLN 39 1HE2 GLN 39 2.163 -1.774 8.800 263 HE22 GLN 39 2HE2 GLN 39 2.720 -0.279 9.462 264 H ASP 40 H ASP 40 -3.620 -2.232 9.356 265 HA ASP 40 HA ASP 40 -3.964 -3.086 11.978 266 HB2 ASP 40 1HB ASP 40 -5.810 -1.971 9.902 267 HB3 ASP 40 2HB ASP 40 -6.482 -2.569 11.417 268 H CYS 41 H CYS 41 -6.027 -4.155 9.274 269 HA CYS 41 HA CYS 41 -7.350 -6.213 10.363 270 HB2 CYS 41 1HB CYS 41 -6.069 -6.049 7.641 271 HB3 CYS 41 2HB CYS 41 -7.092 -7.405 8.105 272 H PHE 42 H PHE 42 -3.989 -6.363 9.266 273 HA PHE 42 HA PHE 42 -3.628 -9.119 9.837 274 HB2 PHE 42 1HB PHE 42 -2.202 -7.579 8.335 275 HB3 PHE 42 2HB PHE 42 -1.405 -7.091 9.827 276 HD1 PHE 42 2HD PHE 42 -2.524 -10.331 8.342 277 HD2 PHE 42 1HD PHE 42 0.625 -8.094 10.131 278 HE1 PHE 42 2HE PHE 42 -1.047 -12.293 8.189 279 HE2 PHE 42 1HE PHE 42 2.107 -10.053 9.980 280 HZ PHE 42 HZ PHE 42 1.271 -12.156 9.009 281 H TRP 43 H TRP 43 -2.612 -6.183 11.581 282 HA TRP 43 HA TRP 43 -1.378 -7.285 13.754 283 HB2 TRP 43 1HB TRP 43 -2.980 -4.810 13.343 284 HB3 TRP 43 2HB TRP 43 -2.598 -5.265 15.001 285 HD1 TRP 43 HD TRP 43 -0.425 -5.234 11.771 286 HE1 TRP 43 1HE TRP 43 1.759 -3.983 12.310 287 HE3 TRP 43 3HE TRP 43 -1.386 -3.980 16.633 288 HZ2 TRP 43 2HZ TRP 43 2.921 -2.643 14.506 289 HZ3 TRP 43 3HZ TRP 43 0.314 -2.713 17.883 290 HH2 TRP 43 HH TRP 43 2.423 -2.060 16.839 291 H ARG 44 H ARG 44 -4.866 -6.820 13.307 292 HA ARG 44 HA ARG 44 -5.492 -8.025 15.850 293 HB2 ARG 44 1HB ARG 44 -7.295 -7.280 13.539 294 HB3 ARG 44 2HB ARG 44 -7.834 -7.761 15.143 295 HG2 ARG 44 1HG ARG 44 -6.081 -5.370 14.655 296 HG3 ARG 44 2HG ARG 44 -7.844 -5.293 14.667 297 HD2 ARG 44 1HD ARG 44 -6.380 -6.529 16.961 298 HD3 ARG 44 2HD ARG 44 -6.506 -4.775 16.839 299 HE ARG 44 HE ARG 44 -9.025 -6.124 16.566 300 HH11 ARG 44 2HH1 ARG 44 -6.713 -4.822 18.819 301 HH12 ARG 44 1HH1 ARG 44 -7.878 -4.585 20.079 302 HH21 ARG 44 2HH2 ARG 44 -10.569 -5.818 18.217 303 HH22 ARG 44 1HH2 ARG 44 -10.071 -5.153 19.736 304 H GLY 45 H GLY 45 -5.552 -8.977 12.451 305 HA2 GLY 45 1HA GLY 45 -5.234 -11.181 11.684 306 HA3 GLY 45 2HA GLY 45 -5.640 -11.774 13.289 307 H HIS 46 H HIS 46 -6.686 -11.650 10.185 308 HA HIS 46 HA HIS 46 -9.494 -11.983 11.010 309 HB2 HIS 46 1HB HIS 46 -8.384 -10.613 8.564 310 HB3 HIS 46 2HB HIS 46 -10.052 -11.172 8.652 311 HD1 HIS 46 1HD HIS 46 -9.607 -8.221 8.281 312 HD2 HIS 46 2HD HIS 46 -9.857 -10.003 12.025 313 HE1 HIS 46 1HE HIS 46 -10.271 -6.379 9.859 314 H ALA 47 H ALA 47 -10.754 -13.438 9.672 315 HA ALA 47 HA ALA 47 -9.638 -15.072 7.672 316 HB1 ALA 47 1HB ALA 47 -9.872 -17.150 9.426 317 HB2 ALA 47 2HB ALA 47 -8.352 -16.404 8.931 318 HB3 ALA 47 3HB ALA 47 -9.134 -15.902 10.430 319 H GLY 48 H GLY 48 -11.007 -17.334 7.728 320 HA2 GLY 48 1HA GLY 48 -13.613 -17.287 8.769 321 HA3 GLY 48 2HA GLY 48 -13.653 -16.569 7.165 322 H GLY 49 H GLY 49 -15.166 -18.641 7.240 323 HA2 GLY 49 1HA GLY 49 -14.391 -21.219 7.174 324 HA3 GLY 49 2HA GLY 49 -15.523 -20.566 6.000 325 H SER 50 H SER 50 -13.625 -18.827 4.707 326 HA SER 50 HA SER 50 -12.355 -20.817 3.019 327 HB2 SER 50 1HB SER 50 -13.634 -18.917 2.039 328 HB3 SER 50 2HB SER 50 -12.432 -17.807 2.698 329 HG SER 50 HG SER 50 -12.173 -19.693 0.630 330 H HIS 51 H HIS 51 -11.177 -17.657 4.162 331 HA HIS 51 HA HIS 51 -8.453 -18.485 4.048 332 HB2 HIS 51 1HB HIS 51 -9.116 -16.145 3.704 333 HB3 HIS 51 2HB HIS 51 -9.688 -16.057 5.367 334 HD2 HIS 51 2HD HIS 51 -7.751 -15.523 7.249 335 HE1 HIS 51 1HE HIS 51 -4.445 -15.567 4.591 336 HE2 HIS 51 2HE HIS 51 -5.209 -15.147 6.954 337 H SER 52 H SER 52 -7.107 -19.192 5.621 338 HA SER 52 HA SER 52 -8.332 -19.785 8.227 339 HB2 SER 52 1HB SER 52 -7.557 -21.757 7.010 340 HB3 SER 52 2HB SER 52 -5.947 -21.055 6.858 341 HG SER 52 HG SER 52 -6.175 -22.575 8.609 342 H ASN 53 H ASN 53 -7.470 -19.037 10.088 343 HA ASN 53 HA ASN 53 -5.927 -16.756 10.164 344 HB2 ASN 53 1HB ASN 53 -5.508 -17.352 12.580 345 HB3 ASN 53 2HB ASN 53 -7.200 -17.374 12.092 346 HD21 ASN 53 1HD2 ASN 53 -4.474 -19.262 13.081 347 HD22 ASN 53 2HD2 ASN 53 -5.329 -20.741 13.339 348 H GLN 54 H GLN 54 -4.911 -20.000 9.702 349 HA GLN 54 HA GLN 54 -2.162 -19.497 10.478 350 HB2 GLN 54 1HB GLN 54 -3.570 -21.898 9.318 351 HB3 GLN 54 2HB GLN 54 -1.832 -21.850 9.578 352 HG2 GLN 54 1HG GLN 54 -2.077 -21.713 11.911 353 HG3 GLN 54 2HG GLN 54 -3.792 -21.326 11.785 354 HE21 GLN 54 1HE2 GLN 54 -2.963 -23.323 13.434 355 HE22 GLN 54 2HE2 GLN 54 -3.452 -24.855 12.802 356 H HIS 55 H HIS 55 -3.499 -18.028 8.235 357 HA HIS 55 HA HIS 55 -1.738 -18.843 6.023 358 HB2 HIS 55 1HB HIS 55 -4.385 -17.435 6.109 359 HB3 HIS 55 2HB HIS 55 -3.312 -17.202 4.732 360 HD2 HIS 55 2HD HIS 55 -3.286 -20.792 6.095 361 HE1 HIS 55 1HE HIS 55 -5.823 -20.746 2.695 362 HE2 HIS 55 2HE HIS 55 -4.695 -22.182 4.430 363 H GLN 56 H GLN 56 -0.009 -17.637 5.634 364 HA GLN 56 HA GLN 56 0.372 -15.138 7.016 365 HB2 GLN 56 1HB GLN 56 2.216 -16.745 6.767 366 HB3 GLN 56 2HB GLN 56 2.143 -16.558 5.020 367 HG2 GLN 56 1HG GLN 56 2.801 -14.240 5.206 368 HG3 GLN 56 2HG GLN 56 2.782 -14.352 6.965 369 HE21 GLN 56 1HE2 GLN 56 4.274 -15.941 7.926 370 HE22 GLN 56 2HE2 GLN 56 5.814 -16.170 7.179 371 H MET 57 H MET 57 1.008 -13.152 5.946 372 HA MET 57 HA MET 57 -0.289 -12.846 3.318 373 HB2 MET 57 1HB MET 57 0.073 -10.646 5.347 374 HB3 MET 57 2HB MET 57 -0.958 -10.645 3.922 375 HG2 MET 57 1HG MET 57 -1.378 -12.523 6.225 376 HG3 MET 57 2HG MET 57 -2.104 -10.919 6.153 377 HE1 MET 57 1HE MET 57 -3.555 -10.198 3.802 378 HE2 MET 57 2HE MET 57 -5.005 -11.202 3.845 379 HE3 MET 57 3HE MET 57 -4.345 -10.541 5.342 380 H LYS 58 H LYS 58 0.731 -11.635 1.742 381 HA LYS 58 HA LYS 58 3.570 -11.060 2.259 382 HB2 LYS 58 1HB LYS 58 2.135 -11.708 -0.320 383 HB3 LYS 58 2HB LYS 58 3.828 -11.242 -0.222 384 HG2 LYS 58 1HG LYS 58 2.759 -13.594 1.296 385 HG3 LYS 58 2HG LYS 58 3.278 -13.728 -0.385 386 HD2 LYS 58 1HD LYS 58 5.039 -12.566 1.759 387 HD3 LYS 58 2HD LYS 58 5.002 -14.293 1.400 388 HE2 LYS 58 1HE LYS 58 5.583 -12.143 -0.632 389 HE3 LYS 58 2HE LYS 58 6.821 -13.045 0.241 390 HZ1 LYS 58 1HZ LYS 58 5.133 -13.877 -1.962 391 HZ2 LYS 58 2HZ LYS 58 5.330 -15.028 -0.739 392 HZ3 LYS 58 3HZ LYS 58 6.684 -14.395 -1.530 393 H GLU 59 H GLU 59 4.470 -9.112 1.635 394 HA GLU 59 HA GLU 59 2.599 -6.912 1.410 395 HB2 GLU 59 1HB GLU 59 4.616 -5.492 1.631 396 HB3 GLU 59 2HB GLU 59 4.454 -6.656 2.938 397 HG2 GLU 59 1HG GLU 59 6.112 -8.091 1.892 398 HG3 GLU 59 2HG GLU 59 6.254 -6.963 0.545 399 H TYR 60 H TYR 60 2.027 -5.958 -0.425 400 HA TYR 60 HA TYR 60 3.814 -6.145 -2.749 401 HB2 TYR 60 1HB TYR 60 0.889 -6.855 -2.635 402 HB3 TYR 60 2HB TYR 60 1.672 -6.402 -4.145 403 HD1 TYR 60 2HD TYR 60 4.157 -7.708 -4.248 404 HD2 TYR 60 1HD TYR 60 0.554 -9.125 -2.484 405 HE1 TYR 60 2HE TYR 60 4.928 -10.024 -4.546 406 HE2 TYR 60 1HE TYR 60 1.316 -11.445 -2.777 407 HH TYR 60 HH TYR 60 4.407 -12.306 -3.344 408 H THR 61 H THR 61 3.494 -4.493 -4.344 409 HA THR 61 HA THR 61 2.191 -2.086 -3.249 410 HB THR 61 HB THR 61 3.827 -0.796 -4.666 411 HG1 THR 61 1HG THR 61 4.398 -2.671 -5.986 412 HG21 THR 61 1HG2 THR 61 4.054 -1.434 -2.152 413 HG22 THR 61 2HG2 THR 61 5.443 -0.754 -3.000 414 HG23 THR 61 3HG2 THR 61 5.345 -2.493 -2.720 415 H SER 62 H SER 62 0.203 -2.536 -4.271 416 HA SER 62 HA SER 62 0.237 -2.039 -7.171 417 HB2 SER 62 1HB SER 62 -0.316 -4.477 -6.335 418 HB3 SER 62 2HB SER 62 -1.894 -3.774 -5.983 419 HG SER 62 HG SER 62 -0.581 -3.685 -8.499 420 H TRP 63 H TRP 63 -1.812 -2.081 -4.263 421 HA TRP 63 HA TRP 63 -3.716 -0.253 -5.380 422 HB2 TRP 63 1HB TRP 63 -4.871 -0.427 -3.326 423 HB3 TRP 63 2HB TRP 63 -4.156 -2.017 -3.583 424 HD1 TRP 63 HD TRP 63 -1.189 -0.670 -2.561 425 HE1 TRP 63 1HE TRP 63 -0.838 -0.614 -0.011 426 HE3 TRP 63 3HE TRP 63 -6.049 -1.192 -1.061 427 HZ2 TRP 63 2HZ TRP 63 -2.413 -0.771 2.326 428 HZ3 TRP 63 3HZ TRP 63 -6.541 -1.230 1.350 429 HH2 TRP 63 HH TRP 63 -4.760 -1.024 3.006 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -17.341 12.531 6.478 2 HA2 GLY 1 1HA GLY 1 -14.550 11.588 6.701 3 HA3 GLY 1 2HA GLY 1 -15.487 11.354 5.233 4 H SER 2 H SER 2 -13.181 12.578 4.870 5 HA SER 2 HA SER 2 -13.977 15.241 4.067 6 HB2 SER 2 1HB SER 2 -12.250 16.437 5.214 7 HB3 SER 2 2HB SER 2 -13.086 15.467 6.425 8 HG SER 2 HG SER 2 -10.668 15.452 6.370 9 H SER 3 H SER 3 -12.214 16.311 2.777 10 HA SER 3 HA SER 3 -10.786 14.256 1.230 11 HB2 SER 3 1HB SER 3 -10.884 15.761 -0.660 12 HB3 SER 3 2HB SER 3 -12.503 15.624 0.026 13 HG SER 3 HG SER 3 -12.456 17.668 0.525 14 H GLY 4 H GLY 4 -8.622 14.449 0.789 15 HA2 GLY 4 1HA GLY 4 -7.205 16.820 1.771 16 HA3 GLY 4 2HA GLY 4 -6.767 15.260 2.451 17 H SER 5 H SER 5 -4.649 16.100 1.519 18 HA SER 5 HA SER 5 -4.115 16.304 -1.186 19 HB2 SER 5 1HB SER 5 -2.501 15.557 1.206 20 HB3 SER 5 2HB SER 5 -1.803 15.242 -0.382 21 HG SER 5 HG SER 5 -1.253 17.272 -0.251 22 H SER 6 H SER 6 -2.954 14.763 -2.592 23 HA SER 6 HA SER 6 -3.750 11.970 -2.127 24 HB2 SER 6 1HB SER 6 -5.382 12.872 -3.668 25 HB3 SER 6 2HB SER 6 -4.109 13.550 -4.683 26 HG SER 6 HG SER 6 -3.568 10.998 -4.447 27 H GLY 7 H GLY 7 -1.596 11.518 -1.529 28 HA2 GLY 7 1HA GLY 7 0.626 12.152 -3.197 29 HA3 GLY 7 2HA GLY 7 0.623 11.006 -1.865 30 H VAL 8 H VAL 8 0.119 8.827 -2.261 31 HA VAL 8 HA VAL 8 1.181 7.607 -4.427 32 HB VAL 8 HB VAL 8 -1.260 6.631 -2.937 33 HG11 VAL 8 1HG1 VAL 8 -0.407 5.569 -5.218 34 HG12 VAL 8 2HG1 VAL 8 0.726 4.775 -4.123 35 HG13 VAL 8 3HG1 VAL 8 -1.012 4.581 -3.889 36 HG21 VAL 8 1HG2 VAL 8 1.142 7.219 -1.845 37 HG22 VAL 8 2HG2 VAL 8 0.070 5.953 -1.247 38 HG23 VAL 8 3HG2 VAL 8 1.405 5.542 -2.324 39 H PHE 9 H PHE 9 0.697 7.269 -6.509 40 HA PHE 9 HA PHE 9 -1.260 8.735 -7.835 41 HB2 PHE 9 1HB PHE 9 -0.074 6.151 -8.855 42 HB3 PHE 9 2HB PHE 9 -0.671 7.508 -9.804 43 HD1 PHE 9 2HD PHE 9 0.540 9.828 -9.094 44 HD2 PHE 9 1HD PHE 9 2.195 5.920 -8.758 45 HE1 PHE 9 2HE PHE 9 2.805 10.786 -9.146 46 HE2 PHE 9 1HE PHE 9 4.463 6.873 -8.809 47 HZ PHE 9 HZ PHE 9 4.770 9.309 -9.004 48 H HIS 10 H HIS 10 -1.264 5.284 -6.971 49 HA HIS 10 HA HIS 10 -4.068 5.077 -7.748 50 HB2 HIS 10 1HB HIS 10 -2.353 2.871 -6.617 51 HB3 HIS 10 2HB HIS 10 -3.813 2.721 -7.590 52 HD1 HIS 10 1HD HIS 10 -0.163 3.602 -7.887 53 HD2 HIS 10 2HD HIS 10 -3.420 2.746 -10.322 54 HE1 HIS 10 1HE HIS 10 0.780 3.339 -10.204 55 HA PRO 11 HA PRO 11 -5.683 5.461 -3.682 56 HB2 PRO 11 1HB PRO 11 -7.877 3.872 -3.871 57 HB3 PRO 11 2HB PRO 11 -7.766 5.454 -4.651 58 HG2 PRO 11 1HG PRO 11 -7.357 2.731 -5.824 59 HG3 PRO 11 2HG PRO 11 -8.225 4.121 -6.500 60 HD2 PRO 11 1HD PRO 11 -5.711 3.463 -7.261 61 HD3 PRO 11 2HD PRO 11 -6.287 5.142 -7.218 62 H VAL 12 H VAL 12 -4.828 4.580 -1.914 63 HA VAL 12 HA VAL 12 -4.287 1.713 -1.825 64 HB VAL 12 HB VAL 12 -3.478 3.927 0.064 65 HG11 VAL 12 1HG1 VAL 12 -1.926 1.541 0.331 66 HG12 VAL 12 2HG1 VAL 12 -2.882 2.388 1.549 67 HG13 VAL 12 3HG1 VAL 12 -3.635 1.155 0.537 68 HG21 VAL 12 1HG2 VAL 12 -2.298 2.774 -2.356 69 HG22 VAL 12 2HG2 VAL 12 -1.997 4.326 -1.575 70 HG23 VAL 12 3HG2 VAL 12 -1.194 2.872 -0.984 71 H GLU 13 H GLU 13 -6.424 0.950 -1.552 72 HA GLU 13 HA GLU 13 -7.563 1.491 1.113 73 HB2 GLU 13 1HB GLU 13 -9.024 0.736 -1.424 74 HB3 GLU 13 2HB GLU 13 -9.770 0.940 0.154 75 HG2 GLU 13 1HG GLU 13 -9.089 3.292 0.164 76 HG3 GLU 13 2HG GLU 13 -8.375 3.082 -1.434 77 H CYS 14 H CYS 14 -8.751 -0.311 2.083 78 HA CYS 14 HA CYS 14 -7.301 -2.795 1.700 79 HB2 CYS 14 1HB CYS 14 -8.045 -1.603 3.951 80 HB3 CYS 14 2HB CYS 14 -9.515 -2.534 3.685 81 H SER 15 H SER 15 -8.918 -4.792 2.255 82 HA SER 15 HA SER 15 -10.866 -4.747 0.056 83 HB2 SER 15 1HB SER 15 -9.106 -6.437 -0.152 84 HB3 SER 15 2HB SER 15 -9.531 -7.094 1.428 85 HG SER 15 HG SER 15 -11.084 -7.104 -0.940 86 H TYR 16 H TYR 16 -10.460 -5.691 3.437 87 HA TYR 16 HA TYR 16 -13.325 -6.246 3.648 88 HB2 TYR 16 1HB TYR 16 -11.952 -7.937 4.643 89 HB3 TYR 16 2HB TYR 16 -11.011 -6.740 5.526 90 HD1 TYR 16 2HD TYR 16 -11.892 -5.704 7.542 91 HD2 TYR 16 1HD TYR 16 -14.161 -8.601 5.406 92 HE1 TYR 16 2HE TYR 16 -13.394 -5.944 9.474 93 HE2 TYR 16 1HE TYR 16 -15.670 -8.849 7.332 94 HH TYR 16 HH TYR 16 -15.795 -6.683 9.858 95 H CYS 17 H CYS 17 -11.028 -4.725 5.901 96 HA CYS 17 HA CYS 17 -12.934 -3.097 7.144 97 HB2 CYS 17 1HB CYS 17 -11.175 -2.184 8.351 98 HB3 CYS 17 2HB CYS 17 -10.499 -3.732 7.851 99 H HIS 18 H HIS 18 -11.421 -2.791 4.109 100 HA HIS 18 HA HIS 18 -11.295 -1.120 2.555 101 HB2 HIS 18 1HB HIS 18 -13.969 -0.581 3.849 102 HB3 HIS 18 2HB HIS 18 -13.422 0.249 2.395 103 HD1 HIS 18 1HD HIS 18 -15.459 -2.467 3.331 104 HD2 HIS 18 2HD HIS 18 -12.627 -1.890 0.347 105 HE1 HIS 18 1HE HIS 18 -15.946 -4.220 1.594 106 H SER 19 H SER 19 -9.689 -0.470 4.609 107 HA SER 19 HA SER 19 -10.279 2.077 5.759 108 HB2 SER 19 1HB SER 19 -8.779 0.674 6.972 109 HB3 SER 19 2HB SER 19 -7.742 0.448 5.563 110 HG SER 19 HG SER 19 -8.112 3.070 6.341 111 H GLU 20 H GLU 20 -9.329 4.087 5.288 112 HA GLU 20 HA GLU 20 -8.363 4.328 2.516 113 HB2 GLU 20 1HB GLU 20 -9.259 6.614 2.545 114 HB3 GLU 20 2HB GLU 20 -10.512 5.425 2.871 115 HG2 GLU 20 1HG GLU 20 -11.020 6.940 4.475 116 HG3 GLU 20 2HG GLU 20 -9.869 5.954 5.375 117 H SER 21 H SER 21 -8.028 5.712 5.772 118 HA SER 21 HA SER 21 -5.913 7.434 5.315 119 HB2 SER 21 1HB SER 21 -7.042 7.457 7.438 120 HB3 SER 21 2HB SER 21 -6.571 5.790 7.767 121 HG SER 21 HG SER 21 -4.371 7.197 7.273 122 H MET 22 H MET 22 -3.797 7.217 4.924 123 HA MET 22 HA MET 22 -2.724 4.648 4.312 124 HB2 MET 22 1HB MET 22 -1.722 7.454 4.255 125 HB3 MET 22 2HB MET 22 -0.536 6.156 4.235 126 HG2 MET 22 1HG MET 22 -1.763 5.193 2.275 127 HG3 MET 22 2HG MET 22 -2.727 6.668 2.244 128 HE1 MET 22 1HE MET 22 -0.844 8.575 -0.269 129 HE2 MET 22 2HE MET 22 -2.136 7.379 -0.155 130 HE3 MET 22 3HE MET 22 -2.086 8.734 0.974 131 H MET 23 H MET 23 -2.771 3.427 6.208 132 HA MET 23 HA MET 23 -1.004 4.342 8.375 133 HB2 MET 23 1HB MET 23 -3.501 3.678 8.754 134 HB3 MET 23 2HB MET 23 -2.895 2.031 8.644 135 HG2 MET 23 1HG MET 23 -1.404 2.416 10.503 136 HG3 MET 23 2HG MET 23 -1.897 4.106 10.579 137 HE1 MET 23 1HE MET 23 -4.338 4.147 13.152 138 HE2 MET 23 2HE MET 23 -3.123 4.902 12.120 139 HE3 MET 23 3HE MET 23 -4.777 4.707 11.538 140 H GLY 24 H GLY 24 -1.992 1.293 6.792 141 HA2 GLY 24 1HA GLY 24 0.719 0.261 7.315 142 HA3 GLY 24 2HA GLY 24 -0.708 -0.732 7.053 143 H PHE 25 H PHE 25 -0.542 -1.809 5.212 144 HA PHE 25 HA PHE 25 -0.106 -0.408 2.738 145 HB2 PHE 25 1HB PHE 25 2.004 -2.142 3.932 146 HB3 PHE 25 2HB PHE 25 1.746 -2.238 2.193 147 HD1 PHE 25 1HD PHE 25 1.397 0.285 1.159 148 HD2 PHE 25 2HD PHE 25 3.734 -0.787 4.551 149 HE1 PHE 25 1HE PHE 25 2.775 2.299 0.842 150 HE2 PHE 25 2HE PHE 25 5.115 1.225 4.240 151 HZ PHE 25 HZ PHE 25 4.636 2.771 2.384 152 H ARG 26 H ARG 26 0.178 -2.289 0.935 153 HA ARG 26 HA ARG 26 -2.237 -3.856 1.207 154 HB2 ARG 26 1HB ARG 26 -1.833 -4.450 -1.159 155 HB3 ARG 26 2HB ARG 26 -1.837 -2.711 -0.892 156 HG2 ARG 26 1HG ARG 26 0.771 -3.124 -0.650 157 HG3 ARG 26 2HG ARG 26 0.382 -4.510 -1.671 158 HD2 ARG 26 1HD ARG 26 0.960 -2.715 -3.118 159 HD3 ARG 26 2HD ARG 26 -0.789 -2.919 -3.217 160 HE ARG 26 HE ARG 26 -1.068 -0.857 -2.218 161 HH11 ARG 26 2HH1 ARG 26 2.278 -1.810 -2.094 162 HH12 ARG 26 1HH1 ARG 26 2.839 -0.250 -1.592 163 HH21 ARG 26 2HH2 ARG 26 -0.342 1.201 -1.557 164 HH22 ARG 26 1HH2 ARG 26 1.348 1.462 -1.286 165 H TYR 27 H TYR 27 -2.086 -5.687 2.341 166 HA TYR 27 HA TYR 27 0.206 -7.461 1.807 167 HB2 TYR 27 1HB TYR 27 -1.463 -7.402 4.325 168 HB3 TYR 27 2HB TYR 27 0.017 -8.315 4.051 169 HD1 TYR 27 1HD TYR 27 1.721 -6.254 2.781 170 HD2 TYR 27 2HD TYR 27 -0.930 -5.979 6.097 171 HE1 TYR 27 1HE TYR 27 3.043 -4.383 3.675 172 HE2 TYR 27 2HE TYR 27 0.384 -4.107 7.000 173 HH TYR 27 HH TYR 27 2.518 -3.116 6.855 174 H ARG 28 H ARG 28 -0.461 -8.957 0.403 175 HA ARG 28 HA ARG 28 -3.176 -10.019 0.588 176 HB2 ARG 28 1HB ARG 28 -2.190 -9.292 -1.612 177 HB3 ARG 28 2HB ARG 28 -1.067 -10.640 -1.482 178 HG2 ARG 28 1HG ARG 28 -3.124 -12.126 -1.297 179 HG3 ARG 28 2HG ARG 28 -4.044 -10.719 -1.833 180 HD2 ARG 28 1HD ARG 28 -1.698 -11.875 -3.331 181 HD3 ARG 28 2HD ARG 28 -3.379 -12.294 -3.659 182 HE ARG 28 HE ARG 28 -3.327 -9.576 -3.813 183 HH11 ARG 28 2HH1 ARG 28 -1.550 -12.148 -5.345 184 HH12 ARG 28 1HH1 ARG 28 -1.283 -11.266 -6.812 185 HH21 ARG 28 2HH2 ARG 28 -2.983 -8.404 -5.740 186 HH22 ARG 28 1HH2 ARG 28 -2.098 -9.136 -7.035 187 H CYS 29 H CYS 29 -3.648 -11.988 1.350 188 HA CYS 29 HA CYS 29 -1.993 -13.455 2.956 189 HB2 CYS 29 1HB CYS 29 -4.349 -13.872 2.992 190 HB3 CYS 29 2HB CYS 29 -4.349 -14.366 1.303 191 H GLN 30 H GLN 30 -1.043 -15.600 2.684 192 HA GLN 30 HA GLN 30 0.736 -15.684 0.487 193 HB2 GLN 30 1HB GLN 30 0.135 -17.451 2.809 194 HB3 GLN 30 2HB GLN 30 1.045 -18.134 1.468 195 HG2 GLN 30 1HG GLN 30 2.483 -15.955 1.766 196 HG3 GLN 30 2HG GLN 30 1.809 -16.006 3.394 197 HE21 GLN 30 1HE2 GLN 30 4.459 -16.731 1.792 198 HE22 GLN 30 2HE2 GLN 30 4.990 -18.144 2.633 199 H GLN 31 H GLN 31 -1.448 -18.329 1.424 200 HA GLN 31 HA GLN 31 -1.893 -18.847 -1.438 201 HB2 GLN 31 1HB GLN 31 -0.844 -20.587 0.234 202 HB3 GLN 31 2HB GLN 31 -2.522 -20.856 0.687 203 HG2 GLN 31 1HG GLN 31 -2.964 -21.208 -1.794 204 HG3 GLN 31 2HG GLN 31 -1.213 -21.304 -1.972 205 HE21 GLN 31 1HE2 GLN 31 -2.989 -23.384 -2.592 206 HE22 GLN 31 2HE2 GLN 31 -2.678 -24.700 -1.517 207 H CYS 32 H CYS 32 -3.723 -17.862 -2.042 208 HA CYS 32 HA CYS 32 -6.228 -18.781 -1.140 209 HB2 CYS 32 1HB CYS 32 -5.162 -16.318 0.128 210 HB3 CYS 32 2HB CYS 32 -6.842 -16.268 -0.399 211 H HIS 33 H HIS 33 -8.003 -17.840 -2.308 212 HA HIS 33 HA HIS 33 -7.327 -17.126 -4.962 213 HB2 HIS 33 1HB HIS 33 -9.999 -16.940 -3.555 214 HB3 HIS 33 2HB HIS 33 -9.750 -16.867 -5.297 215 HD1 HIS 33 1HD HIS 33 -11.127 -19.109 -3.160 216 HD2 HIS 33 2HD HIS 33 -7.937 -19.472 -5.797 217 HE1 HIS 33 1HE HIS 33 -10.912 -21.572 -3.621 218 H ASN 34 H ASN 34 -9.438 -15.240 -2.805 219 HA ASN 34 HA ASN 34 -8.002 -12.811 -3.631 220 HB2 ASN 34 1HB ASN 34 -10.282 -11.668 -3.658 221 HB3 ASN 34 2HB ASN 34 -9.936 -12.755 -4.999 222 HD21 ASN 34 1HD2 ASN 34 -10.849 -14.894 -4.924 223 HD22 ASN 34 2HD2 ASN 34 -12.343 -15.156 -4.096 224 H TYR 35 H TYR 35 -6.968 -12.918 -1.574 225 HA TYR 35 HA TYR 35 -8.682 -11.934 0.602 226 HB2 TYR 35 1HB TYR 35 -7.810 -14.438 0.709 227 HB3 TYR 35 2HB TYR 35 -6.343 -13.656 1.289 228 HD1 TYR 35 2HD TYR 35 -10.016 -13.789 1.925 229 HD2 TYR 35 1HD TYR 35 -6.136 -13.141 3.545 230 HE1 TYR 35 2HE TYR 35 -10.987 -13.655 4.180 231 HE2 TYR 35 1HE TYR 35 -7.096 -13.007 5.806 232 HH TYR 35 HH TYR 35 -8.960 -12.983 7.016 233 H GLN 36 H GLN 36 -8.064 -9.849 0.649 234 HA GLN 36 HA GLN 36 -5.187 -9.304 0.974 235 HB2 GLN 36 1HB GLN 36 -7.248 -7.921 -0.682 236 HB3 GLN 36 2HB GLN 36 -5.974 -6.951 0.047 237 HG2 GLN 36 1HG GLN 36 -4.282 -8.219 -1.085 238 HG3 GLN 36 2HG GLN 36 -5.486 -9.348 -1.703 239 HE21 GLN 36 1HE2 GLN 36 -3.649 -7.891 -3.276 240 HE22 GLN 36 2HE2 GLN 36 -4.551 -6.826 -4.295 241 H LEU 37 H LEU 37 -4.582 -7.887 2.569 242 HA LEU 37 HA LEU 37 -6.616 -6.463 4.081 243 HB2 LEU 37 1HB LEU 37 -4.794 -8.496 5.361 244 HB3 LEU 37 2HB LEU 37 -5.866 -7.394 6.223 245 HG LEU 37 HG LEU 37 -6.913 -9.421 4.265 246 HD11 LEU 37 1HD1 LEU 37 -5.593 -10.002 6.689 247 HD12 LEU 37 2HD1 LEU 37 -6.523 -11.094 5.663 248 HD13 LEU 37 3HD1 LEU 37 -7.320 -10.222 6.972 249 HD21 LEU 37 1HD2 LEU 37 -8.765 -8.251 4.697 250 HD22 LEU 37 2HD2 LEU 37 -8.031 -7.424 6.071 251 HD23 LEU 37 3HD2 LEU 37 -8.736 -9.027 6.281 252 H CYS 38 H CYS 38 -5.504 -5.229 5.951 253 HA CYS 38 HA CYS 38 -2.951 -4.166 4.931 254 HB2 CYS 38 1HB CYS 38 -3.580 -2.030 5.993 255 HB3 CYS 38 2HB CYS 38 -4.759 -2.535 4.787 256 H GLN 39 H GLN 39 -1.804 -2.887 6.821 257 HA GLN 39 HA GLN 39 -0.707 -4.698 8.562 258 HB2 GLN 39 1HB GLN 39 0.100 -2.351 8.023 259 HB3 GLN 39 2HB GLN 39 -1.035 -1.777 9.237 260 HG2 GLN 39 1HG GLN 39 0.137 -2.767 10.982 261 HG3 GLN 39 2HG GLN 39 1.006 -3.858 9.904 262 HE21 GLN 39 1HE2 GLN 39 0.929 -0.763 11.374 263 HE22 GLN 39 2HE2 GLN 39 2.440 -0.188 10.764 264 H ASP 40 H ASP 40 -3.358 -2.431 9.247 265 HA ASP 40 HA ASP 40 -3.760 -3.137 11.922 266 HB2 ASP 40 1HB ASP 40 -4.764 -1.143 10.913 267 HB3 ASP 40 2HB ASP 40 -5.786 -2.158 9.899 268 H CYS 41 H CYS 41 -5.769 -4.144 9.148 269 HA CYS 41 HA CYS 41 -7.352 -6.004 10.327 270 HB2 CYS 41 1HB CYS 41 -6.086 -5.962 7.601 271 HB3 CYS 41 2HB CYS 41 -7.150 -7.280 8.080 272 H PHE 42 H PHE 42 -4.082 -6.605 9.068 273 HA PHE 42 HA PHE 42 -3.961 -9.328 9.729 274 HB2 PHE 42 1HB PHE 42 -2.378 -8.012 8.229 275 HB3 PHE 42 2HB PHE 42 -1.591 -7.461 9.705 276 HD1 PHE 42 2HD PHE 42 -2.846 -10.736 8.417 277 HD2 PHE 42 1HD PHE 42 0.373 -8.545 10.135 278 HE1 PHE 42 2HE PHE 42 -1.474 -12.778 8.441 279 HE2 PHE 42 1HE PHE 42 1.751 -10.584 10.161 280 HZ PHE 42 HZ PHE 42 0.827 -12.704 9.315 281 H TRP 43 H TRP 43 -2.678 -6.509 11.491 282 HA TRP 43 HA TRP 43 -1.592 -7.726 13.679 283 HB2 TRP 43 1HB TRP 43 -2.997 -5.113 13.304 284 HB3 TRP 43 2HB TRP 43 -2.555 -5.613 14.935 285 HD1 TRP 43 HD TRP 43 -0.392 -6.150 11.779 286 HE1 TRP 43 1HE TRP 43 1.838 -4.910 12.117 287 HE3 TRP 43 3HE TRP 43 -1.412 -3.843 16.225 288 HZ2 TRP 43 2HZ TRP 43 3.010 -3.183 14.017 289 HZ3 TRP 43 3HZ TRP 43 0.317 -2.414 17.237 290 HH2 TRP 43 HH TRP 43 2.482 -2.093 16.154 291 H ARG 44 H ARG 44 -4.991 -6.683 13.396 292 HA ARG 44 HA ARG 44 -5.808 -7.794 15.860 293 HB2 ARG 44 1HB ARG 44 -7.477 -7.203 13.409 294 HB3 ARG 44 2HB ARG 44 -8.091 -7.461 15.036 295 HG2 ARG 44 1HG ARG 44 -6.752 -5.465 15.753 296 HG3 ARG 44 2HG ARG 44 -6.422 -5.166 14.046 297 HD2 ARG 44 1HD ARG 44 -8.728 -4.836 13.573 298 HD3 ARG 44 2HD ARG 44 -9.204 -5.432 15.163 299 HE ARG 44 HE ARG 44 -8.196 -2.793 14.515 300 HH11 ARG 44 2HH1 ARG 44 -8.929 -5.121 16.997 301 HH12 ARG 44 1HH1 ARG 44 -9.029 -3.938 18.259 302 HH21 ARG 44 2HH2 ARG 44 -8.325 -1.226 16.168 303 HH22 ARG 44 1HH2 ARG 44 -8.686 -1.723 17.786 304 H GLY 45 H GLY 45 -5.776 -9.050 12.559 305 HA2 GLY 45 1HA GLY 45 -5.497 -11.348 12.056 306 HA3 GLY 45 2HA GLY 45 -6.108 -11.746 13.655 307 H HIS 46 H HIS 46 -6.832 -11.680 10.407 308 HA HIS 46 HA HIS 46 -9.714 -11.887 10.981 309 HB2 HIS 46 1HB HIS 46 -8.308 -10.560 8.677 310 HB3 HIS 46 2HB HIS 46 -9.966 -11.131 8.522 311 HD1 HIS 46 1HD HIS 46 -10.921 -8.762 8.280 312 HD2 HIS 46 2HD HIS 46 -8.841 -9.375 11.824 313 HE1 HIS 46 1HE HIS 46 -11.459 -6.777 9.728 314 H ALA 47 H ALA 47 -10.908 -13.352 9.632 315 HA ALA 47 HA ALA 47 -9.725 -15.049 7.724 316 HB1 ALA 47 1HB ALA 47 -9.007 -16.870 8.841 317 HB2 ALA 47 2HB ALA 47 -8.792 -15.719 10.161 318 HB3 ALA 47 3HB ALA 47 -10.240 -16.723 10.093 319 H GLY 48 H GLY 48 -11.151 -17.286 7.768 320 HA2 GLY 48 1HA GLY 48 -13.815 -17.128 8.651 321 HA3 GLY 48 2HA GLY 48 -13.735 -16.482 7.019 322 H GLY 49 H GLY 49 -15.310 -18.513 7.103 323 HA2 GLY 49 1HA GLY 49 -14.572 -21.111 7.187 324 HA3 GLY 49 2HA GLY 49 -15.659 -20.492 5.954 325 H SER 50 H SER 50 -13.585 -18.801 4.748 326 HA SER 50 HA SER 50 -12.331 -20.885 3.144 327 HB2 SER 50 1HB SER 50 -12.467 -17.888 2.736 328 HB3 SER 50 2HB SER 50 -11.775 -19.038 1.593 329 HG SER 50 HG SER 50 -14.411 -18.453 2.135 330 H HIS 51 H HIS 51 -11.127 -17.694 4.157 331 HA HIS 51 HA HIS 51 -8.422 -18.518 4.158 332 HB2 HIS 51 1HB HIS 51 -9.028 -16.184 3.827 333 HB3 HIS 51 2HB HIS 51 -9.735 -16.112 5.439 334 HD2 HIS 51 2HD HIS 51 -7.902 -15.844 7.537 335 HE1 HIS 51 1HE HIS 51 -4.492 -15.397 5.053 336 HE2 HIS 51 2HE HIS 51 -5.373 -15.316 7.411 337 H SER 52 H SER 52 -6.984 -18.802 5.908 338 HA SER 52 HA SER 52 -8.306 -19.688 8.388 339 HB2 SER 52 1HB SER 52 -7.267 -21.549 7.224 340 HB3 SER 52 2HB SER 52 -5.743 -20.668 7.110 341 HG SER 52 HG SER 52 -6.983 -21.781 9.385 342 H ASN 53 H ASN 53 -7.127 -19.390 10.383 343 HA ASN 53 HA ASN 53 -6.011 -16.781 10.592 344 HB2 ASN 53 1HB ASN 53 -7.364 -17.941 12.372 345 HB3 ASN 53 2HB ASN 53 -5.961 -18.958 12.688 346 HD21 ASN 53 1HD2 ASN 53 -7.083 -17.389 14.645 347 HD22 ASN 53 2HD2 ASN 53 -5.986 -16.122 15.063 348 H GLN 54 H GLN 54 -4.685 -19.923 10.101 349 HA GLN 54 HA GLN 54 -2.010 -19.127 10.921 350 HB2 GLN 54 1HB GLN 54 -3.020 -21.711 9.721 351 HB3 GLN 54 2HB GLN 54 -1.384 -21.436 10.303 352 HG2 GLN 54 1HG GLN 54 -3.924 -21.615 11.882 353 HG3 GLN 54 2HG GLN 54 -2.466 -22.597 12.018 354 HE21 GLN 54 1HE2 GLN 54 -0.458 -21.259 12.549 355 HE22 GLN 54 2HE2 GLN 54 -0.646 -20.083 13.800 356 H HIS 55 H HIS 55 -3.442 -17.877 8.617 357 HA HIS 55 HA HIS 55 -1.664 -18.657 6.413 358 HB2 HIS 55 1HB HIS 55 -4.337 -17.316 6.542 359 HB3 HIS 55 2HB HIS 55 -3.291 -17.012 5.158 360 HD2 HIS 55 2HD HIS 55 -3.128 -20.630 6.441 361 HE1 HIS 55 1HE HIS 55 -5.692 -20.596 3.062 362 HE2 HIS 55 2HE HIS 55 -4.504 -22.030 4.757 363 H GLN 56 H GLN 56 0.036 -17.434 5.955 364 HA GLN 56 HA GLN 56 0.420 -14.913 7.304 365 HB2 GLN 56 1HB GLN 56 2.120 -16.585 5.469 366 HB3 GLN 56 2HB GLN 56 2.611 -14.968 5.956 367 HG2 GLN 56 1HG GLN 56 2.678 -15.605 8.256 368 HG3 GLN 56 2HG GLN 56 1.965 -17.175 7.892 369 HE21 GLN 56 1HE2 GLN 56 3.715 -18.241 8.838 370 HE22 GLN 56 2HE2 GLN 56 5.249 -18.350 8.051 371 H MET 57 H MET 57 1.346 -13.044 5.998 372 HA MET 57 HA MET 57 -0.088 -12.761 3.443 373 HB2 MET 57 1HB MET 57 0.181 -10.620 5.559 374 HB3 MET 57 2HB MET 57 -0.641 -10.456 4.014 375 HG2 MET 57 1HG MET 57 -2.063 -12.461 4.883 376 HG3 MET 57 2HG MET 57 -1.479 -11.935 6.460 377 HE1 MET 57 1HE MET 57 -4.207 -11.919 4.222 378 HE2 MET 57 2HE MET 57 -4.938 -10.315 4.172 379 HE3 MET 57 3HE MET 57 -3.509 -10.664 3.197 380 H LYS 58 H LYS 58 0.882 -11.423 1.888 381 HA LYS 58 HA LYS 58 3.680 -10.691 2.453 382 HB2 LYS 58 1HB LYS 58 3.114 -12.716 0.862 383 HB3 LYS 58 2HB LYS 58 2.805 -11.438 -0.307 384 HG2 LYS 58 1HG LYS 58 5.001 -11.867 -0.738 385 HG3 LYS 58 2HG LYS 58 5.166 -10.594 0.474 386 HD2 LYS 58 1HD LYS 58 5.118 -12.677 2.118 387 HD3 LYS 58 2HD LYS 58 5.720 -13.507 0.681 388 HE2 LYS 58 1HE LYS 58 7.603 -12.768 1.959 389 HE3 LYS 58 2HE LYS 58 7.499 -11.771 0.509 390 HZ1 LYS 58 1HZ LYS 58 6.348 -10.081 1.880 391 HZ2 LYS 58 2HZ LYS 58 7.942 -10.368 2.367 392 HZ3 LYS 58 3HZ LYS 58 6.657 -11.019 3.253 393 H GLU 59 H GLU 59 4.466 -8.796 1.537 394 HA GLU 59 HA GLU 59 2.484 -6.784 1.018 395 HB2 GLU 59 1HB GLU 59 5.490 -6.562 0.801 396 HB3 GLU 59 2HB GLU 59 4.345 -5.235 0.929 397 HG2 GLU 59 1HG GLU 59 3.684 -6.208 3.171 398 HG3 GLU 59 2HG GLU 59 5.107 -7.237 3.029 399 H TYR 60 H TYR 60 1.820 -5.991 -0.883 400 HA TYR 60 HA TYR 60 3.189 -6.940 -3.314 401 HB2 TYR 60 1HB TYR 60 0.285 -6.645 -2.654 402 HB3 TYR 60 2HB TYR 60 0.807 -6.458 -4.324 403 HD1 TYR 60 1HD TYR 60 1.006 -8.816 -1.446 404 HD2 TYR 60 2HD TYR 60 1.078 -8.338 -5.673 405 HE1 TYR 60 1HE TYR 60 0.992 -11.260 -1.716 406 HE2 TYR 60 2HE TYR 60 1.063 -10.781 -5.955 407 HH TYR 60 HH TYR 60 0.961 -12.751 -4.941 408 H THR 61 H THR 61 2.504 -5.479 -5.263 409 HA THR 61 HA THR 61 3.261 -2.761 -4.520 410 HB THR 61 HB THR 61 3.531 -2.430 -6.990 411 HG1 THR 61 1HG THR 61 3.113 -5.247 -7.107 412 HG21 THR 61 1HG2 THR 61 5.496 -4.044 -7.178 413 HG22 THR 61 2HG2 THR 61 5.035 -4.619 -5.576 414 HG23 THR 61 3HG2 THR 61 5.508 -2.936 -5.807 415 H SER 62 H SER 62 0.735 -4.437 -6.372 416 HA SER 62 HA SER 62 -0.907 -1.996 -6.175 417 HB2 SER 62 1HB SER 62 -0.772 -4.108 -8.324 418 HB3 SER 62 2HB SER 62 -2.142 -3.007 -8.180 419 HG SER 62 HG SER 62 -0.942 -1.403 -8.879 420 H TRP 63 H TRP 63 -2.817 -2.124 -5.164 421 HA TRP 63 HA TRP 63 -3.482 -4.305 -3.553 422 HB2 TRP 63 1HB TRP 63 -4.913 -1.832 -4.430 423 HB3 TRP 63 2HB TRP 63 -5.833 -3.092 -3.612 424 HD1 TRP 63 HD TRP 63 -3.141 -0.466 -2.991 425 HE1 TRP 63 1HE TRP 63 -2.787 -0.222 -0.453 426 HE3 TRP 63 3HE TRP 63 -5.989 -4.399 -1.394 427 HZ2 TRP 63 2HZ TRP 63 -3.607 -1.525 1.913 428 HZ3 TRP 63 3HZ TRP 63 -6.152 -4.833 1.023 429 HH2 TRP 63 HH TRP 63 -4.984 -3.425 2.640 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -25.432 7.038 7.222 2 HA2 GLY 1 1HA GLY 1 -25.808 7.703 5.034 3 HA3 GLY 1 2HA GLY 1 -25.679 9.377 5.555 4 H SER 2 H SER 2 -24.324 7.183 3.586 5 HA SER 2 HA SER 2 -21.726 8.554 3.668 6 HB2 SER 2 1HB SER 2 -22.245 5.593 3.576 7 HB3 SER 2 2HB SER 2 -20.765 6.270 2.897 8 HG SER 2 HG SER 2 -20.121 6.052 4.902 9 H SER 3 H SER 3 -23.542 6.194 1.700 10 HA SER 3 HA SER 3 -22.448 6.652 -0.750 11 HB2 SER 3 1HB SER 3 -24.449 5.111 0.023 12 HB3 SER 3 2HB SER 3 -25.430 6.436 -0.605 13 HG SER 3 HG SER 3 -23.754 6.097 -2.478 14 H GLY 4 H GLY 4 -23.045 7.949 -2.577 15 HA2 GLY 4 1HA GLY 4 -24.756 10.240 -2.202 16 HA3 GLY 4 2HA GLY 4 -23.046 10.642 -2.235 17 H SER 5 H SER 5 -22.914 11.710 -4.141 18 HA SER 5 HA SER 5 -24.214 10.770 -6.519 19 HB2 SER 5 1HB SER 5 -23.466 13.211 -5.802 20 HB3 SER 5 2HB SER 5 -21.982 12.754 -6.637 21 HG SER 5 HG SER 5 -23.213 12.345 -8.491 22 H SER 6 H SER 6 -20.768 11.228 -5.706 23 HA SER 6 HA SER 6 -20.150 8.992 -7.524 24 HB2 SER 6 1HB SER 6 -19.314 11.117 -8.410 25 HB3 SER 6 2HB SER 6 -18.456 11.424 -6.900 26 HG SER 6 HG SER 6 -17.004 10.548 -8.336 27 H GLY 7 H GLY 7 -18.784 7.403 -6.824 28 HA2 GLY 7 1HA GLY 7 -18.232 7.393 -3.949 29 HA3 GLY 7 2HA GLY 7 -18.205 5.996 -5.015 30 H VAL 8 H VAL 8 -16.533 9.148 -4.935 31 HA VAL 8 HA VAL 8 -14.058 7.840 -5.724 32 HB VAL 8 HB VAL 8 -14.667 9.955 -6.805 33 HG11 VAL 8 1HG1 VAL 8 -15.829 10.908 -4.805 34 HG12 VAL 8 2HG1 VAL 8 -14.240 11.265 -4.126 35 HG13 VAL 8 3HG1 VAL 8 -14.750 12.031 -5.631 36 HG21 VAL 8 1HG2 VAL 8 -12.465 10.103 -7.071 37 HG22 VAL 8 2HG2 VAL 8 -12.413 11.133 -5.640 38 HG23 VAL 8 3HG2 VAL 8 -12.172 9.393 -5.484 39 H PHE 9 H PHE 9 -12.487 7.285 -4.366 40 HA PHE 9 HA PHE 9 -12.264 8.642 -1.782 41 HB2 PHE 9 1HB PHE 9 -12.260 5.630 -2.056 42 HB3 PHE 9 2HB PHE 9 -12.080 6.548 -0.565 43 HD1 PHE 9 1HD PHE 9 -14.440 5.702 -3.279 44 HD2 PHE 9 2HD PHE 9 -13.956 7.297 0.637 45 HE1 PHE 9 1HE PHE 9 -16.879 5.649 -2.961 46 HE2 PHE 9 2HE PHE 9 -16.395 7.246 0.962 47 HZ PHE 9 HZ PHE 9 -17.860 6.421 -0.837 48 H HIS 10 H HIS 10 -10.193 8.180 -0.690 49 HA HIS 10 HA HIS 10 -7.993 8.724 -2.198 50 HB2 HIS 10 1HB HIS 10 -7.848 6.959 0.246 51 HB3 HIS 10 2HB HIS 10 -6.640 8.101 -0.334 52 HD1 HIS 10 1HD HIS 10 -7.064 10.619 0.141 53 HD2 HIS 10 2HD HIS 10 -9.912 8.063 1.760 54 HE1 HIS 10 1HE HIS 10 -8.370 12.015 1.775 55 HA PRO 11 HA PRO 11 -6.889 5.145 -4.491 56 HB2 PRO 11 1HB PRO 11 -4.199 5.476 -4.654 57 HB3 PRO 11 2HB PRO 11 -5.346 6.469 -5.561 58 HG2 PRO 11 1HG PRO 11 -3.911 7.088 -3.008 59 HG3 PRO 11 2HG PRO 11 -4.191 8.130 -4.415 60 HD2 PRO 11 1HD PRO 11 -5.683 8.295 -2.162 61 HD3 PRO 11 2HD PRO 11 -6.347 8.632 -3.774 62 H VAL 12 H VAL 12 -6.392 5.391 -1.280 63 HA VAL 12 HA VAL 12 -5.049 2.771 -1.142 64 HB VAL 12 HB VAL 12 -4.810 5.010 0.873 65 HG11 VAL 12 1HG1 VAL 12 -2.854 3.074 1.328 66 HG12 VAL 12 2HG1 VAL 12 -4.281 3.400 2.314 67 HG13 VAL 12 3HG1 VAL 12 -4.342 2.170 1.051 68 HG21 VAL 12 1HG2 VAL 12 -3.528 4.905 -1.495 69 HG22 VAL 12 2HG2 VAL 12 -2.830 5.607 -0.035 70 HG23 VAL 12 3HG2 VAL 12 -2.424 3.955 -0.500 71 H GLU 13 H GLU 13 -6.823 1.489 -0.908 72 HA GLU 13 HA GLU 13 -8.416 1.918 1.526 73 HB2 GLU 13 1HB GLU 13 -9.386 1.364 -1.258 74 HB3 GLU 13 2HB GLU 13 -10.320 0.815 0.126 75 HG2 GLU 13 1HG GLU 13 -10.725 2.996 0.865 76 HG3 GLU 13 2HG GLU 13 -9.450 3.668 -0.150 77 H CYS 14 H CYS 14 -9.645 -0.131 2.121 78 HA CYS 14 HA CYS 14 -7.907 -2.461 1.636 79 HB2 CYS 14 1HB CYS 14 -8.163 -1.324 4.015 80 HB3 CYS 14 2HB CYS 14 -9.633 -2.291 4.067 81 H SER 15 H SER 15 -9.167 -4.569 2.262 82 HA SER 15 HA SER 15 -11.551 -4.583 0.583 83 HB2 SER 15 1HB SER 15 -9.982 -6.886 1.768 84 HB3 SER 15 2HB SER 15 -11.306 -7.031 0.612 85 HG SER 15 HG SER 15 -9.023 -7.026 -0.196 86 H TYR 16 H TYR 16 -10.608 -6.068 3.688 87 HA TYR 16 HA TYR 16 -13.323 -6.521 4.457 88 HB2 TYR 16 1HB TYR 16 -11.485 -7.968 5.229 89 HB3 TYR 16 2HB TYR 16 -10.799 -6.616 6.124 90 HD1 TYR 16 2HD TYR 16 -12.316 -5.543 7.932 91 HD2 TYR 16 1HD TYR 16 -12.997 -9.399 6.267 92 HE1 TYR 16 2HE TYR 16 -13.685 -6.139 9.887 93 HE2 TYR 16 1HE TYR 16 -14.369 -10.005 8.217 94 HH TYR 16 HH TYR 16 -14.326 -8.460 11.047 95 H CYS 17 H CYS 17 -10.826 -4.609 6.138 96 HA CYS 17 HA CYS 17 -12.731 -3.076 7.577 97 HB2 CYS 17 1HB CYS 17 -10.917 -2.018 8.575 98 HB3 CYS 17 2HB CYS 17 -10.228 -3.570 8.111 99 H HIS 18 H HIS 18 -11.446 -2.828 4.421 100 HA HIS 18 HA HIS 18 -11.351 -1.085 2.898 101 HB2 HIS 18 1HB HIS 18 -13.610 -0.352 2.307 102 HB3 HIS 18 2HB HIS 18 -13.589 -2.077 2.663 103 HD1 HIS 18 1HD HIS 18 -14.622 1.207 4.229 104 HD2 HIS 18 2HD HIS 18 -15.305 -2.870 4.644 105 HE1 HIS 18 1HE HIS 18 -16.488 1.005 5.903 106 H SER 19 H SER 19 -10.208 -0.119 5.173 107 HA SER 19 HA SER 19 -11.469 2.280 6.093 108 HB2 SER 19 1HB SER 19 -9.406 2.671 7.317 109 HB3 SER 19 2HB SER 19 -9.857 0.973 7.469 110 HG SER 19 HG SER 19 -8.144 1.737 5.389 111 H GLU 20 H GLU 20 -9.720 4.268 6.089 112 HA GLU 20 HA GLU 20 -8.983 4.724 3.277 113 HB2 GLU 20 1HB GLU 20 -9.774 7.058 3.499 114 HB3 GLU 20 2HB GLU 20 -11.073 5.884 3.654 115 HG2 GLU 20 1HG GLU 20 -9.692 7.058 6.043 116 HG3 GLU 20 2HG GLU 20 -11.069 7.840 5.269 117 H SER 21 H SER 21 -8.514 5.610 6.659 118 HA SER 21 HA SER 21 -6.450 7.427 6.443 119 HB2 SER 21 1HB SER 21 -7.284 5.462 8.517 120 HB3 SER 21 2HB SER 21 -5.682 6.181 8.682 121 HG SER 21 HG SER 21 -6.689 8.237 8.587 122 H MET 22 H MET 22 -4.394 7.350 5.802 123 HA MET 22 HA MET 22 -3.320 4.969 4.666 124 HB2 MET 22 1HB MET 22 -2.415 7.782 5.001 125 HB3 MET 22 2HB MET 22 -1.180 6.566 4.703 126 HG2 MET 22 1HG MET 22 -1.637 7.163 2.566 127 HG3 MET 22 2HG MET 22 -2.823 5.874 2.763 128 HE1 MET 22 1HE MET 22 -3.607 9.379 0.759 129 HE2 MET 22 2HE MET 22 -2.536 7.979 0.715 130 HE3 MET 22 3HE MET 22 -4.254 7.787 0.362 131 H MET 23 H MET 23 -3.353 3.530 6.484 132 HA MET 23 HA MET 23 -0.986 3.859 8.191 133 HB2 MET 23 1HB MET 23 -3.185 4.396 9.382 134 HB3 MET 23 2HB MET 23 -3.557 2.684 9.232 135 HG2 MET 23 1HG MET 23 -2.647 2.763 11.327 136 HG3 MET 23 2HG MET 23 -1.234 2.362 10.355 137 HE1 MET 23 1HE MET 23 1.185 4.727 11.772 138 HE2 MET 23 2HE MET 23 0.589 3.069 11.863 139 HE3 MET 23 3HE MET 23 0.934 3.798 10.294 140 H GLY 24 H GLY 24 0.068 2.421 6.735 141 HA2 GLY 24 1HA GLY 24 0.818 0.067 7.109 142 HA3 GLY 24 2HA GLY 24 -0.875 -0.372 6.945 143 H PHE 25 H PHE 25 -0.183 -1.817 5.254 144 HA PHE 25 HA PHE 25 -0.160 -0.476 2.669 145 HB2 PHE 25 1HB PHE 25 2.040 -2.247 3.686 146 HB3 PHE 25 2HB PHE 25 1.674 -2.192 1.965 147 HD1 PHE 25 1HD PHE 25 1.180 0.501 1.311 148 HD2 PHE 25 2HD PHE 25 3.926 -1.047 4.171 149 HE1 PHE 25 1HE PHE 25 2.557 2.528 1.082 150 HE2 PHE 25 2HE PHE 25 5.306 0.977 3.948 151 HZ PHE 25 HZ PHE 25 4.622 2.768 2.402 152 H ARG 26 H ARG 26 -0.119 -2.329 0.894 153 HA ARG 26 HA ARG 26 -2.427 -3.956 1.468 154 HB2 ARG 26 1HB ARG 26 -1.719 -2.708 -0.755 155 HB3 ARG 26 2HB ARG 26 -0.883 -4.222 -1.072 156 HG2 ARG 26 1HG ARG 26 -3.807 -4.064 -0.390 157 HG3 ARG 26 2HG ARG 26 -3.185 -4.032 -2.042 158 HD2 ARG 26 1HD ARG 26 -2.459 -6.225 -0.125 159 HD3 ARG 26 2HD ARG 26 -3.941 -6.286 -1.078 160 HE ARG 26 HE ARG 26 -1.261 -6.709 -2.016 161 HH11 ARG 26 2HH1 ARG 26 -4.481 -5.737 -2.916 162 HH12 ARG 26 1HH1 ARG 26 -4.284 -6.162 -4.584 163 HH21 ARG 26 2HH2 ARG 26 -0.989 -7.273 -4.209 164 HH22 ARG 26 1HH2 ARG 26 -2.298 -7.037 -5.318 165 H TYR 27 H TYR 27 -2.327 -5.918 2.319 166 HA TYR 27 HA TYR 27 0.077 -7.549 1.817 167 HB2 TYR 27 1HB TYR 27 -1.635 -7.349 4.296 168 HB3 TYR 27 2HB TYR 27 -0.473 -8.645 4.035 169 HD1 TYR 27 2HD TYR 27 -0.880 -5.057 4.690 170 HD2 TYR 27 1HD TYR 27 1.903 -8.235 4.186 171 HE1 TYR 27 2HE TYR 27 0.902 -3.635 5.612 172 HE2 TYR 27 1HE TYR 27 3.693 -6.822 5.108 173 HH TYR 27 HH TYR 27 3.046 -3.804 6.638 174 H ARG 28 H ARG 28 -0.431 -9.061 0.376 175 HA ARG 28 HA ARG 28 -3.120 -10.184 0.312 176 HB2 ARG 28 1HB ARG 28 -2.067 -9.484 -1.802 177 HB3 ARG 28 2HB ARG 28 -0.767 -10.637 -1.532 178 HG2 ARG 28 1HG ARG 28 -2.545 -12.436 -1.518 179 HG3 ARG 28 2HG ARG 28 -3.653 -11.204 -2.125 180 HD2 ARG 28 1HD ARG 28 -1.049 -11.960 -3.442 181 HD3 ARG 28 2HD ARG 28 -2.624 -12.604 -3.905 182 HE ARG 28 HE ARG 28 -2.708 -9.790 -3.944 183 HH11 ARG 28 2HH1 ARG 28 -1.348 -12.479 -5.688 184 HH12 ARG 28 1HH1 ARG 28 -1.303 -11.642 -7.204 185 HH21 ARG 28 2HH2 ARG 28 -2.654 -8.678 -5.935 186 HH22 ARG 28 1HH2 ARG 28 -2.046 -9.480 -7.343 187 H CYS 29 H CYS 29 -3.632 -12.086 1.173 188 HA CYS 29 HA CYS 29 -2.023 -13.548 2.848 189 HB2 CYS 29 1HB CYS 29 -4.350 -13.943 2.961 190 HB3 CYS 29 2HB CYS 29 -4.449 -14.341 1.249 191 H GLN 30 H GLN 30 -1.230 -15.792 2.615 192 HA GLN 30 HA GLN 30 0.591 -15.983 0.449 193 HB2 GLN 30 1HB GLN 30 -0.189 -17.852 2.673 194 HB3 GLN 30 2HB GLN 30 0.949 -18.340 1.424 195 HG2 GLN 30 1HG GLN 30 2.139 -16.096 2.088 196 HG3 GLN 30 2HG GLN 30 1.256 -16.334 3.595 197 HE21 GLN 30 1HE2 GLN 30 4.168 -16.548 2.672 198 HE22 GLN 30 2HE2 GLN 30 4.693 -18.050 3.345 199 H GLN 31 H GLN 31 -1.731 -18.505 1.392 200 HA GLN 31 HA GLN 31 -2.174 -19.033 -1.468 201 HB2 GLN 31 1HB GLN 31 -1.225 -20.797 0.259 202 HB3 GLN 31 2HB GLN 31 -2.929 -21.002 0.645 203 HG2 GLN 31 1HG GLN 31 -1.751 -21.275 -2.111 204 HG3 GLN 31 2HG GLN 31 -2.090 -22.617 -1.020 205 HE21 GLN 31 1HE2 GLN 31 -3.462 -20.147 -3.045 206 HE22 GLN 31 2HE2 GLN 31 -5.063 -20.795 -3.097 207 H CYS 32 H CYS 32 -3.949 -17.957 -2.086 208 HA CYS 32 HA CYS 32 -6.501 -18.763 -1.205 209 HB2 CYS 32 1HB CYS 32 -5.339 -16.343 0.063 210 HB3 CYS 32 2HB CYS 32 -7.012 -16.226 -0.473 211 H HIS 33 H HIS 33 -8.241 -17.640 -2.332 212 HA HIS 33 HA HIS 33 -7.492 -16.978 -5.002 213 HB2 HIS 33 1HB HIS 33 -10.136 -16.930 -3.548 214 HB3 HIS 33 2HB HIS 33 -9.974 -16.494 -5.246 215 HD1 HIS 33 1HD HIS 33 -9.373 -18.416 -6.908 216 HD2 HIS 33 2HD HIS 33 -10.054 -19.650 -3.000 217 HE1 HIS 33 1HE HIS 33 -9.649 -20.913 -7.030 218 H ASN 34 H ASN 34 -9.545 -15.066 -2.807 219 HA ASN 34 HA ASN 34 -8.059 -12.663 -3.618 220 HB2 ASN 34 1HB ASN 34 -10.215 -11.426 -3.744 221 HB3 ASN 34 2HB ASN 34 -10.074 -12.687 -4.965 222 HD21 ASN 34 1HD2 ASN 34 -12.428 -11.387 -3.761 223 HD22 ASN 34 2HD2 ASN 34 -13.397 -12.675 -3.139 224 H TYR 35 H TYR 35 -7.011 -12.791 -1.579 225 HA TYR 35 HA TYR 35 -8.686 -11.804 0.624 226 HB2 TYR 35 1HB TYR 35 -7.871 -14.329 0.696 227 HB3 TYR 35 2HB TYR 35 -6.383 -13.587 1.274 228 HD1 TYR 35 2HD TYR 35 -10.063 -13.474 1.921 229 HD2 TYR 35 1HD TYR 35 -6.137 -13.271 3.548 230 HE1 TYR 35 2HE TYR 35 -11.015 -13.345 4.185 231 HE2 TYR 35 1HE TYR 35 -7.078 -13.142 5.817 232 HH TYR 35 HH TYR 35 -10.457 -12.672 6.381 233 H GLN 36 H GLN 36 -8.020 -9.735 0.691 234 HA GLN 36 HA GLN 36 -5.134 -9.263 1.039 235 HB2 GLN 36 1HB GLN 36 -7.140 -7.625 -0.507 236 HB3 GLN 36 2HB GLN 36 -5.577 -6.992 -0.008 237 HG2 GLN 36 1HG GLN 36 -5.036 -7.686 -2.093 238 HG3 GLN 36 2HG GLN 36 -4.711 -9.178 -1.212 239 HE21 GLN 36 1HE2 GLN 36 -6.104 -7.974 -3.898 240 HE22 GLN 36 2HE2 GLN 36 -7.273 -9.206 -4.213 241 H LEU 37 H LEU 37 -4.548 -8.095 2.774 242 HA LEU 37 HA LEU 37 -6.583 -6.536 4.194 243 HB2 LEU 37 1HB LEU 37 -4.751 -8.537 5.509 244 HB3 LEU 37 2HB LEU 37 -5.870 -7.458 6.340 245 HG LEU 37 HG LEU 37 -6.815 -9.525 4.372 246 HD11 LEU 37 1HD1 LEU 37 -7.059 -11.117 6.064 247 HD12 LEU 37 2HD1 LEU 37 -6.750 -9.942 7.341 248 HD13 LEU 37 3HD1 LEU 37 -5.432 -10.478 6.299 249 HD21 LEU 37 1HD2 LEU 37 -8.738 -9.206 6.252 250 HD22 LEU 37 2HD2 LEU 37 -8.670 -8.307 4.735 251 HD23 LEU 37 3HD2 LEU 37 -8.034 -7.589 6.216 252 H CYS 38 H CYS 38 -5.659 -5.033 5.775 253 HA CYS 38 HA CYS 38 -3.053 -4.052 4.853 254 HB2 CYS 38 1HB CYS 38 -3.696 -1.898 5.700 255 HB3 CYS 38 2HB CYS 38 -5.043 -2.530 4.759 256 H GLN 39 H GLN 39 -1.611 -3.082 6.486 257 HA GLN 39 HA GLN 39 -0.607 -4.743 8.314 258 HB2 GLN 39 1HB GLN 39 0.196 -2.400 7.720 259 HB3 GLN 39 2HB GLN 39 -0.885 -1.815 8.978 260 HG2 GLN 39 1HG GLN 39 1.270 -1.972 9.932 261 HG3 GLN 39 2HG GLN 39 0.322 -3.308 10.583 262 HE21 GLN 39 1HE2 GLN 39 3.151 -2.408 8.995 263 HE22 GLN 39 2HE2 GLN 39 3.727 -3.986 8.593 264 H ASP 40 H ASP 40 -3.144 -2.370 9.101 265 HA ASP 40 HA ASP 40 -3.505 -3.087 11.770 266 HB2 ASP 40 1HB ASP 40 -5.611 -2.074 9.848 267 HB3 ASP 40 2HB ASP 40 -5.688 -2.002 11.607 268 H CYS 41 H CYS 41 -5.588 -4.039 9.031 269 HA CYS 41 HA CYS 41 -7.242 -5.818 10.214 270 HB2 CYS 41 1HB CYS 41 -5.941 -5.845 7.511 271 HB3 CYS 41 2HB CYS 41 -6.995 -7.171 7.991 272 H PHE 42 H PHE 42 -4.010 -6.629 8.959 273 HA PHE 42 HA PHE 42 -4.002 -9.316 9.726 274 HB2 PHE 42 1HB PHE 42 -2.348 -8.087 8.210 275 HB3 PHE 42 2HB PHE 42 -1.541 -7.576 9.688 276 HD1 PHE 42 2HD PHE 42 -2.989 -10.785 8.441 277 HD2 PHE 42 1HD PHE 42 0.368 -8.763 10.101 278 HE1 PHE 42 2HE PHE 42 -1.738 -12.903 8.483 279 HE2 PHE 42 1HE PHE 42 1.625 -10.878 10.145 280 HZ PHE 42 HZ PHE 42 0.572 -12.952 9.336 281 H TRP 43 H TRP 43 -2.560 -6.522 11.407 282 HA TRP 43 HA TRP 43 -1.586 -7.745 13.649 283 HB2 TRP 43 1HB TRP 43 -2.773 -5.043 13.168 284 HB3 TRP 43 2HB TRP 43 -2.379 -5.517 14.818 285 HD1 TRP 43 HD TRP 43 -0.382 -5.972 11.510 286 HE1 TRP 43 1HE TRP 43 1.989 -5.047 11.892 287 HE3 TRP 43 3HE TRP 43 -0.925 -4.310 16.314 288 HZ2 TRP 43 2HZ TRP 43 3.438 -3.780 13.957 289 HZ3 TRP 43 3HZ TRP 43 1.002 -3.254 17.421 290 HH2 TRP 43 HH TRP 43 3.138 -2.996 16.266 291 H ARG 44 H ARG 44 -4.932 -6.831 12.993 292 HA ARG 44 HA ARG 44 -5.892 -7.570 15.582 293 HB2 ARG 44 1HB ARG 44 -7.327 -7.074 12.970 294 HB3 ARG 44 2HB ARG 44 -8.145 -7.386 14.495 295 HG2 ARG 44 1HG ARG 44 -6.791 -5.379 15.377 296 HG3 ARG 44 2HG ARG 44 -6.540 -5.002 13.671 297 HD2 ARG 44 1HD ARG 44 -8.448 -3.805 14.070 298 HD3 ARG 44 2HD ARG 44 -9.148 -5.341 13.559 299 HE ARG 44 HE ARG 44 -9.888 -5.701 15.716 300 HH11 ARG 44 2HH1 ARG 44 -7.776 -2.936 15.613 301 HH12 ARG 44 1HH1 ARG 44 -8.174 -2.409 17.215 302 HH21 ARG 44 2HH2 ARG 44 -10.420 -5.018 17.826 303 HH22 ARG 44 1HH2 ARG 44 -9.678 -3.594 18.473 304 H GLY 45 H GLY 45 -5.717 -9.150 12.429 305 HA2 GLY 45 1HA GLY 45 -5.472 -11.490 12.164 306 HA3 GLY 45 2HA GLY 45 -6.162 -11.718 13.765 307 H HIS 46 H HIS 46 -6.813 -11.349 10.386 308 HA HIS 46 HA HIS 46 -9.689 -11.725 10.896 309 HB2 HIS 46 1HB HIS 46 -8.202 -10.462 8.604 310 HB3 HIS 46 2HB HIS 46 -9.868 -11.005 8.426 311 HD1 HIS 46 1HD HIS 46 -9.990 -8.260 7.954 312 HD2 HIS 46 2HD HIS 46 -9.561 -9.566 11.875 313 HE1 HIS 46 1HE HIS 46 -10.718 -6.328 9.390 314 H ALA 47 H ALA 47 -10.785 -13.398 9.929 315 HA ALA 47 HA ALA 47 -9.638 -15.071 7.926 316 HB1 ALA 47 1HB ALA 47 -9.755 -17.120 9.568 317 HB2 ALA 47 2HB ALA 47 -8.296 -16.138 9.443 318 HB3 ALA 47 3HB ALA 47 -9.416 -15.885 10.781 319 H GLY 48 H GLY 48 -10.997 -17.317 8.021 320 HA2 GLY 48 1HA GLY 48 -13.624 -17.251 9.019 321 HA3 GLY 48 2HA GLY 48 -13.636 -16.596 7.388 322 H GLY 49 H GLY 49 -15.138 -18.672 7.509 323 HA2 GLY 49 1HA GLY 49 -14.321 -21.247 7.556 324 HA3 GLY 49 2HA GLY 49 -15.468 -20.656 6.364 325 H SER 50 H SER 50 -13.654 -18.954 4.958 326 HA SER 50 HA SER 50 -12.355 -20.973 3.342 327 HB2 SER 50 1HB SER 50 -12.846 -18.020 3.025 328 HB3 SER 50 2HB SER 50 -11.754 -18.881 1.941 329 HG SER 50 HG SER 50 -13.609 -19.166 0.925 330 H HIS 51 H HIS 51 -11.166 -17.777 4.364 331 HA HIS 51 HA HIS 51 -8.447 -18.571 4.244 332 HB2 HIS 51 1HB HIS 51 -9.111 -16.242 3.931 333 HB3 HIS 51 2HB HIS 51 -9.722 -16.175 5.582 334 HD2 HIS 51 2HD HIS 51 -7.810 -15.739 7.540 335 HE1 HIS 51 1HE HIS 51 -4.491 -15.514 4.906 336 HE2 HIS 51 2HE HIS 51 -5.280 -15.263 7.285 337 H SER 52 H SER 52 -7.082 -19.316 5.773 338 HA SER 52 HA SER 52 -8.252 -19.959 8.390 339 HB2 SER 52 1HB SER 52 -7.393 -21.853 7.030 340 HB3 SER 52 2HB SER 52 -5.787 -21.126 7.074 341 HG SER 52 HG SER 52 -5.599 -22.263 8.836 342 H ASN 53 H ASN 53 -7.382 -19.232 10.259 343 HA ASN 53 HA ASN 53 -5.898 -16.909 10.354 344 HB2 ASN 53 1HB ASN 53 -5.492 -17.465 12.751 345 HB3 ASN 53 2HB ASN 53 -7.175 -17.649 12.268 346 HD21 ASN 53 1HD2 ASN 53 -4.840 -18.999 14.052 347 HD22 ASN 53 2HD2 ASN 53 -5.336 -20.654 14.016 348 H GLN 54 H GLN 54 -4.812 -20.119 9.834 349 HA GLN 54 HA GLN 54 -2.068 -19.558 10.595 350 HB2 GLN 54 1HB GLN 54 -3.360 -21.993 9.357 351 HB3 GLN 54 2HB GLN 54 -1.656 -21.886 9.777 352 HG2 GLN 54 1HG GLN 54 -2.268 -21.531 12.124 353 HG3 GLN 54 2HG GLN 54 -3.970 -21.685 11.690 354 HE21 GLN 54 1HE2 GLN 54 -0.985 -23.473 10.971 355 HE22 GLN 54 2HE2 GLN 54 -1.617 -25.028 11.384 356 H HIS 55 H HIS 55 -3.450 -18.099 8.382 357 HA HIS 55 HA HIS 55 -1.720 -18.876 6.133 358 HB2 HIS 55 1HB HIS 55 -4.368 -17.484 6.294 359 HB3 HIS 55 2HB HIS 55 -3.320 -17.193 4.910 360 HD2 HIS 55 2HD HIS 55 -3.223 -20.826 6.141 361 HE1 HIS 55 1HE HIS 55 -5.833 -20.695 2.800 362 HE2 HIS 55 2HE HIS 55 -4.649 -22.176 4.458 363 H GLN 56 H GLN 56 -0.005 -17.662 5.707 364 HA GLN 56 HA GLN 56 0.439 -15.206 7.139 365 HB2 GLN 56 1HB GLN 56 2.038 -16.975 5.363 366 HB3 GLN 56 2HB GLN 56 2.536 -15.292 5.482 367 HG2 GLN 56 1HG GLN 56 2.990 -15.463 7.763 368 HG3 GLN 56 2HG GLN 56 2.060 -16.951 7.929 369 HE21 GLN 56 1HE2 GLN 56 2.947 -18.650 6.194 370 HE22 GLN 56 2HE2 GLN 56 4.648 -18.925 6.325 371 H MET 57 H MET 57 1.430 -13.321 5.834 372 HA MET 57 HA MET 57 -0.079 -12.891 3.350 373 HB2 MET 57 1HB MET 57 0.217 -10.835 5.545 374 HB3 MET 57 2HB MET 57 -0.664 -10.639 4.035 375 HG2 MET 57 1HG MET 57 -2.018 -12.695 4.893 376 HG3 MET 57 2HG MET 57 -1.387 -12.204 6.463 377 HE1 MET 57 1HE MET 57 -4.709 -11.771 4.529 378 HE2 MET 57 2HE MET 57 -4.460 -10.172 3.828 379 HE3 MET 57 3HE MET 57 -3.361 -11.492 3.426 380 H LYS 58 H LYS 58 0.896 -11.547 1.830 381 HA LYS 58 HA LYS 58 3.716 -10.893 2.385 382 HB2 LYS 58 1HB LYS 58 2.462 -11.565 -0.283 383 HB3 LYS 58 2HB LYS 58 4.165 -11.241 0.013 384 HG2 LYS 58 1HG LYS 58 2.794 -13.469 1.454 385 HG3 LYS 58 2HG LYS 58 3.342 -13.685 -0.210 386 HD2 LYS 58 1HD LYS 58 5.116 -12.726 2.030 387 HD3 LYS 58 2HD LYS 58 4.979 -14.416 1.541 388 HE2 LYS 58 1HE LYS 58 5.591 -13.621 -0.798 389 HE3 LYS 58 2HE LYS 58 6.041 -12.092 -0.044 390 HZ1 LYS 58 1HZ LYS 58 7.547 -14.444 -0.226 391 HZ2 LYS 58 2HZ LYS 58 7.225 -14.166 1.411 392 HZ3 LYS 58 3HZ LYS 58 7.985 -12.972 0.485 393 H GLU 59 H GLU 59 4.564 -8.956 1.557 394 HA GLU 59 HA GLU 59 2.667 -6.802 1.444 395 HB2 GLU 59 1HB GLU 59 5.034 -6.797 2.487 396 HB3 GLU 59 2HB GLU 59 5.600 -6.537 0.843 397 HG2 GLU 59 1HG GLU 59 3.714 -4.764 2.377 398 HG3 GLU 59 2HG GLU 59 5.411 -4.437 2.030 399 H TYR 60 H TYR 60 1.963 -5.685 -0.287 400 HA TYR 60 HA TYR 60 3.281 -5.884 -2.851 401 HB2 TYR 60 1HB TYR 60 0.565 -7.105 -2.365 402 HB3 TYR 60 2HB TYR 60 1.119 -6.636 -3.969 403 HD1 TYR 60 2HD TYR 60 3.728 -7.523 -4.324 404 HD2 TYR 60 1HD TYR 60 0.694 -9.366 -1.979 405 HE1 TYR 60 2HE TYR 60 4.864 -9.691 -4.570 406 HE2 TYR 60 1HE TYR 60 1.822 -11.539 -2.216 407 HH TYR 60 HH TYR 60 3.926 -12.285 -4.438 408 H THR 61 H THR 61 2.027 -4.606 -4.537 409 HA THR 61 HA THR 61 0.505 -2.415 -3.300 410 HB THR 61 HB THR 61 2.767 -1.580 -3.590 411 HG1 THR 61 1HG THR 61 1.314 -0.475 -5.750 412 HG21 THR 61 1HG2 THR 61 4.005 -1.700 -5.547 413 HG22 THR 61 2HG2 THR 61 2.580 -1.953 -6.554 414 HG23 THR 61 3HG2 THR 61 3.184 -3.260 -5.537 415 H SER 62 H SER 62 -1.463 -2.891 -4.138 416 HA SER 62 HA SER 62 -1.661 -3.218 -7.057 417 HB2 SER 62 1HB SER 62 -2.545 -5.054 -5.506 418 HB3 SER 62 2HB SER 62 -3.820 -3.917 -5.069 419 HG SER 62 HG SER 62 -3.337 -4.337 -7.782 420 H TRP 63 H TRP 63 -3.203 -1.654 -4.269 421 HA TRP 63 HA TRP 63 -5.183 -0.204 -5.438 422 HB2 TRP 63 1HB TRP 63 -3.327 1.085 -3.446 423 HB3 TRP 63 2HB TRP 63 -5.066 1.303 -3.623 424 HD1 TRP 63 HD TRP 63 -5.766 -1.875 -3.675 425 HE1 TRP 63 1HE TRP 63 -5.689 -3.165 -1.449 426 HE3 TRP 63 3HE TRP 63 -2.781 1.299 -1.002 427 HZ2 TRP 63 2HZ TRP 63 -4.518 -2.875 1.103 428 HZ3 TRP 63 3HZ TRP 63 -2.230 0.720 1.326 429 HH2 TRP 63 HH TRP 63 -3.082 -1.324 2.354 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -25.767 -0.481 -11.115 2 HA2 GLY 1 1HA GLY 1 -25.576 1.503 -9.859 3 HA3 GLY 1 2HA GLY 1 -24.255 0.777 -8.954 4 H SER 2 H SER 2 -24.886 3.224 -10.931 5 HA SER 2 HA SER 2 -22.300 3.045 -12.332 6 HB2 SER 2 1HB SER 2 -23.188 4.551 -14.008 7 HB3 SER 2 2HB SER 2 -24.313 3.209 -13.804 8 HG SER 2 HG SER 2 -24.950 5.680 -13.711 9 H SER 3 H SER 3 -20.812 4.102 -11.192 10 HA SER 3 HA SER 3 -21.429 6.838 -10.318 11 HB2 SER 3 1HB SER 3 -20.318 4.591 -8.680 12 HB3 SER 3 2HB SER 3 -19.791 6.240 -8.344 13 HG SER 3 HG SER 3 -22.433 6.251 -8.613 14 H GLY 4 H GLY 4 -18.681 4.555 -10.437 15 HA2 GLY 4 1HA GLY 4 -17.119 5.279 -12.387 16 HA3 GLY 4 2HA GLY 4 -17.000 6.749 -11.432 17 H SER 5 H SER 5 -15.993 6.658 -9.365 18 HA SER 5 HA SER 5 -14.256 6.091 -8.005 19 HB2 SER 5 1HB SER 5 -15.349 3.311 -8.503 20 HB3 SER 5 2HB SER 5 -14.221 3.742 -7.218 21 HG SER 5 HG SER 5 -15.821 5.125 -6.372 22 H SER 6 H SER 6 -13.519 6.495 -10.651 23 HA SER 6 HA SER 6 -11.247 4.642 -10.879 24 HB2 SER 6 1HB SER 6 -12.774 3.949 -12.603 25 HB3 SER 6 2HB SER 6 -13.028 5.615 -13.122 26 HG SER 6 HG SER 6 -11.077 3.874 -13.827 27 H GLY 7 H GLY 7 -9.323 5.532 -11.656 28 HA2 GLY 7 1HA GLY 7 -9.104 8.185 -12.643 29 HA3 GLY 7 2HA GLY 7 -8.738 8.145 -10.925 30 H VAL 8 H VAL 8 -6.614 8.908 -11.654 31 HA VAL 8 HA VAL 8 -4.904 7.326 -13.246 32 HB VAL 8 HB VAL 8 -3.059 8.649 -12.231 33 HG11 VAL 8 1HG1 VAL 8 -4.705 9.417 -14.107 34 HG12 VAL 8 2HG1 VAL 8 -5.239 10.578 -12.890 35 HG13 VAL 8 3HG1 VAL 8 -3.555 10.560 -13.415 36 HG21 VAL 8 1HG2 VAL 8 -5.266 9.463 -10.403 37 HG22 VAL 8 2HG2 VAL 8 -3.579 9.101 -10.040 38 HG23 VAL 8 3HG2 VAL 8 -4.009 10.635 -10.797 39 H PHE 9 H PHE 9 -5.177 7.646 -9.711 40 HA PHE 9 HA PHE 9 -4.205 4.914 -9.422 41 HB2 PHE 9 1HB PHE 9 -2.862 7.326 -8.205 42 HB3 PHE 9 2HB PHE 9 -2.654 5.702 -7.560 43 HD1 PHE 9 1HD PHE 9 -2.094 7.842 -10.511 44 HD2 PHE 9 2HD PHE 9 -1.203 4.150 -8.589 45 HE1 PHE 9 1HE PHE 9 -0.293 7.434 -12.137 46 HE2 PHE 9 2HE PHE 9 0.600 3.737 -10.212 47 HZ PHE 9 HZ PHE 9 1.057 5.380 -11.988 48 H HIS 10 H HIS 10 -5.159 3.842 -7.781 49 HA HIS 10 HA HIS 10 -7.276 5.186 -6.350 50 HB2 HIS 10 1HB HIS 10 -6.402 2.314 -6.028 51 HB3 HIS 10 2HB HIS 10 -7.975 3.011 -5.651 52 HD1 HIS 10 1HD HIS 10 -9.032 4.212 -8.036 53 HD2 HIS 10 2HD HIS 10 -6.547 0.894 -8.308 54 HE1 HIS 10 1HE HIS 10 -9.509 3.197 -10.287 55 HA PRO 11 HA PRO 11 -5.004 6.027 -2.670 56 HB2 PRO 11 1HB PRO 11 -7.090 6.262 -0.949 57 HB3 PRO 11 2HB PRO 11 -6.692 7.496 -2.150 58 HG2 PRO 11 1HG PRO 11 -8.773 5.347 -2.259 59 HG3 PRO 11 2HG PRO 11 -8.896 7.048 -2.742 60 HD2 PRO 11 1HD PRO 11 -8.522 5.050 -4.531 61 HD3 PRO 11 2HD PRO 11 -7.858 6.680 -4.767 62 H VAL 12 H VAL 12 -4.376 5.075 -0.704 63 HA VAL 12 HA VAL 12 -4.303 2.314 -0.583 64 HB VAL 12 HB VAL 12 -4.032 4.281 1.693 65 HG11 VAL 12 1HG1 VAL 12 -3.831 2.564 3.084 66 HG12 VAL 12 2HG1 VAL 12 -4.192 1.450 1.764 67 HG13 VAL 12 3HG1 VAL 12 -2.522 1.909 2.101 68 HG21 VAL 12 1HG2 VAL 12 -2.213 4.859 0.511 69 HG22 VAL 12 2HG2 VAL 12 -1.538 3.350 1.124 70 HG23 VAL 12 3HG2 VAL 12 -2.270 3.400 -0.479 71 H GLU 13 H GLU 13 -6.306 1.349 -0.819 72 HA GLU 13 HA GLU 13 -8.119 1.633 1.486 73 HB2 GLU 13 1HB GLU 13 -8.712 1.461 -1.441 74 HB3 GLU 13 2HB GLU 13 -9.867 0.797 -0.294 75 HG2 GLU 13 1HG GLU 13 -9.626 3.129 0.853 76 HG3 GLU 13 2HG GLU 13 -9.048 3.625 -0.736 77 H CYS 14 H CYS 14 -8.850 -0.207 2.442 78 HA CYS 14 HA CYS 14 -7.453 -2.649 1.808 79 HB2 CYS 14 1HB CYS 14 -8.168 -1.637 4.152 80 HB3 CYS 14 2HB CYS 14 -9.638 -2.556 3.841 81 H SER 15 H SER 15 -8.998 -4.713 2.189 82 HA SER 15 HA SER 15 -11.066 -4.485 0.109 83 HB2 SER 15 1HB SER 15 -9.601 -6.966 1.039 84 HB3 SER 15 2HB SER 15 -10.726 -6.861 -0.315 85 HG SER 15 HG SER 15 -9.227 -5.946 -1.507 86 H TYR 16 H TYR 16 -10.364 -5.848 3.290 87 HA TYR 16 HA TYR 16 -13.120 -6.733 3.601 88 HB2 TYR 16 1HB TYR 16 -11.250 -8.157 4.398 89 HB3 TYR 16 2HB TYR 16 -10.812 -6.901 5.550 90 HD1 TYR 16 2HD TYR 16 -12.606 -6.218 7.272 91 HD2 TYR 16 1HD TYR 16 -12.793 -9.803 4.988 92 HE1 TYR 16 2HE TYR 16 -14.164 -7.176 8.915 93 HE2 TYR 16 1HE TYR 16 -14.353 -10.771 6.625 94 HH TYR 16 HH TYR 16 -14.732 -10.060 9.448 95 H CYS 17 H CYS 17 -10.896 -4.860 5.671 96 HA CYS 17 HA CYS 17 -13.040 -3.601 7.070 97 HB2 CYS 17 1HB CYS 17 -11.403 -2.591 8.385 98 HB3 CYS 17 2HB CYS 17 -10.611 -4.074 7.863 99 H HIS 18 H HIS 18 -11.470 -2.980 4.117 100 HA HIS 18 HA HIS 18 -11.404 -1.188 2.693 101 HB2 HIS 18 1HB HIS 18 -14.186 -1.286 3.786 102 HB3 HIS 18 2HB HIS 18 -13.739 0.041 2.718 103 HD1 HIS 18 1HD HIS 18 -15.342 -3.046 2.516 104 HD2 HIS 18 2HD HIS 18 -12.328 -1.269 0.275 105 HE1 HIS 18 1HE HIS 18 -15.354 -4.243 0.304 106 H SER 19 H SER 19 -9.960 -0.485 4.804 107 HA SER 19 HA SER 19 -10.843 1.791 6.229 108 HB2 SER 19 1HB SER 19 -8.955 0.365 6.963 109 HB3 SER 19 2HB SER 19 -8.002 0.952 5.600 110 HG SER 19 HG SER 19 -9.038 2.503 7.740 111 H GLU 20 H GLU 20 -9.531 3.915 6.071 112 HA GLU 20 HA GLU 20 -9.328 4.702 3.238 113 HB2 GLU 20 1HB GLU 20 -10.204 6.923 3.893 114 HB3 GLU 20 2HB GLU 20 -11.366 5.630 4.153 115 HG2 GLU 20 1HG GLU 20 -10.337 5.646 6.574 116 HG3 GLU 20 2HG GLU 20 -9.907 7.297 6.129 117 H SER 21 H SER 21 -8.361 5.551 6.552 118 HA SER 21 HA SER 21 -6.455 7.449 6.088 119 HB2 SER 21 1HB SER 21 -7.201 6.465 8.324 120 HB3 SER 21 2HB SER 21 -5.999 5.203 8.052 121 HG SER 21 HG SER 21 -5.654 7.898 8.650 122 H MET 22 H MET 22 -4.556 7.555 5.079 123 HA MET 22 HA MET 22 -3.549 5.822 3.301 124 HB2 MET 22 1HB MET 22 -2.641 8.089 3.759 125 HB3 MET 22 2HB MET 22 -1.811 7.444 5.169 126 HG2 MET 22 1HG MET 22 -0.114 7.345 3.677 127 HG3 MET 22 2HG MET 22 -0.836 5.766 3.378 128 HE1 MET 22 1HE MET 22 -0.317 6.052 -0.250 129 HE2 MET 22 2HE MET 22 0.940 6.636 0.841 130 HE3 MET 22 3HE MET 22 -0.036 5.235 1.288 131 H MET 23 H MET 23 -2.676 5.821 6.750 132 HA MET 23 HA MET 23 -0.801 3.880 6.899 133 HB2 MET 23 1HB MET 23 -3.081 4.600 8.682 134 HB3 MET 23 2HB MET 23 -2.165 3.146 9.053 135 HG2 MET 23 1HG MET 23 -1.287 4.996 10.305 136 HG3 MET 23 2HG MET 23 -0.104 4.480 9.106 137 HE1 MET 23 1HE MET 23 1.220 7.426 8.216 138 HE2 MET 23 2HE MET 23 1.108 5.678 8.013 139 HE3 MET 23 3HE MET 23 0.501 6.753 6.753 140 H GLY 24 H GLY 24 -0.643 1.698 6.708 141 HA2 GLY 24 1HA GLY 24 -1.607 -0.510 6.753 142 HA3 GLY 24 2HA GLY 24 -3.117 0.187 6.184 143 H PHE 25 H PHE 25 -0.210 -1.322 5.299 144 HA PHE 25 HA PHE 25 -0.273 -0.476 2.534 145 HB2 PHE 25 1HB PHE 25 1.476 -2.267 4.173 146 HB3 PHE 25 2HB PHE 25 1.503 -2.418 2.419 147 HD1 PHE 25 2HD PHE 25 1.303 0.515 4.716 148 HD2 PHE 25 1HD PHE 25 3.407 -1.454 1.583 149 HE1 PHE 25 2HE PHE 25 2.868 2.409 4.582 150 HE2 PHE 25 1HE PHE 25 4.976 0.437 1.445 151 HZ PHE 25 HZ PHE 25 4.707 2.372 2.944 152 H ARG 26 H ARG 26 0.067 -2.487 0.941 153 HA ARG 26 HA ARG 26 -2.425 -3.982 1.130 154 HB2 ARG 26 1HB ARG 26 -1.663 -2.735 -0.959 155 HB3 ARG 26 2HB ARG 26 -0.467 -4.008 -1.162 156 HG2 ARG 26 1HG ARG 26 -3.352 -4.710 -0.856 157 HG3 ARG 26 2HG ARG 26 -2.732 -4.152 -2.411 158 HD2 ARG 26 1HD ARG 26 -1.071 -5.938 -2.399 159 HD3 ARG 26 2HD ARG 26 -1.656 -6.483 -0.828 160 HE ARG 26 HE ARG 26 -3.447 -7.483 -1.866 161 HH11 ARG 26 2HH1 ARG 26 -1.796 -5.401 -4.116 162 HH12 ARG 26 1HH1 ARG 26 -2.671 -5.979 -5.494 163 HH21 ARG 26 2HH2 ARG 26 -4.607 -8.252 -3.674 164 HH22 ARG 26 1HH2 ARG 26 -4.271 -7.600 -5.242 165 H TYR 27 H TYR 27 -2.309 -5.807 2.274 166 HA TYR 27 HA TYR 27 0.026 -7.558 1.868 167 HB2 TYR 27 1HB TYR 27 -1.774 -7.205 4.265 168 HB3 TYR 27 2HB TYR 27 -0.661 -8.558 4.099 169 HD1 TYR 27 1HD TYR 27 1.800 -8.115 3.998 170 HD2 TYR 27 2HD TYR 27 -1.011 -5.063 4.942 171 HE1 TYR 27 1HE TYR 27 3.612 -6.746 4.940 172 HE2 TYR 27 2HE TYR 27 0.794 -3.685 5.886 173 HH TYR 27 HH TYR 27 3.021 -3.458 6.094 174 H ARG 28 H ARG 28 -0.570 -8.953 0.311 175 HA ARG 28 HA ARG 28 -3.245 -10.125 0.363 176 HB2 ARG 28 1HB ARG 28 -2.082 -9.222 -1.751 177 HB3 ARG 28 2HB ARG 28 -1.117 -10.691 -1.687 178 HG2 ARG 28 1HG ARG 28 -4.068 -10.964 -1.557 179 HG3 ARG 28 2HG ARG 28 -3.336 -10.535 -3.105 180 HD2 ARG 28 1HD ARG 28 -1.727 -12.518 -2.564 181 HD3 ARG 28 2HD ARG 28 -3.022 -13.019 -1.476 182 HE ARG 28 HE ARG 28 -4.245 -12.528 -3.884 183 HH11 ARG 28 2HH1 ARG 28 -1.695 -14.607 -2.745 184 HH12 ARG 28 1HH1 ARG 28 -2.008 -15.848 -3.913 185 HH21 ARG 28 2HH2 ARG 28 -4.666 -14.154 -5.427 186 HH22 ARG 28 1HH2 ARG 28 -3.697 -15.589 -5.439 187 H CYS 29 H CYS 29 -3.643 -12.086 1.147 188 HA CYS 29 HA CYS 29 -1.911 -13.590 2.632 189 HB2 CYS 29 1HB CYS 29 -4.247 -14.048 2.768 190 HB3 CYS 29 2HB CYS 29 -4.337 -14.446 1.055 191 H GLN 30 H GLN 30 -0.979 -15.734 2.243 192 HA GLN 30 HA GLN 30 0.695 -15.721 -0.053 193 HB2 GLN 30 1HB GLN 30 0.298 -17.501 2.297 194 HB3 GLN 30 2HB GLN 30 1.103 -18.185 0.890 195 HG2 GLN 30 1HG GLN 30 2.515 -15.952 1.082 196 HG3 GLN 30 2HG GLN 30 2.014 -16.084 2.767 197 HE21 GLN 30 1HE2 GLN 30 4.657 -16.361 1.486 198 HE22 GLN 30 2HE2 GLN 30 5.244 -17.912 1.972 199 H GLN 31 H GLN 31 -1.397 -18.403 0.994 200 HA GLN 31 HA GLN 31 -1.976 -18.931 -1.841 201 HB2 GLN 31 1HB GLN 31 -0.807 -20.671 -0.312 202 HB3 GLN 31 2HB GLN 31 -2.409 -20.915 0.372 203 HG2 GLN 31 1HG GLN 31 -2.044 -22.569 -1.303 204 HG3 GLN 31 2HG GLN 31 -3.246 -21.428 -1.903 205 HE21 GLN 31 1HE2 GLN 31 -2.709 -22.247 -4.007 206 HE22 GLN 31 2HE2 GLN 31 -1.320 -21.644 -4.838 207 H CYS 32 H CYS 32 -3.839 -17.947 -2.345 208 HA CYS 32 HA CYS 32 -6.291 -18.901 -1.352 209 HB2 CYS 32 1HB CYS 32 -5.191 -16.463 -0.067 210 HB3 CYS 32 2HB CYS 32 -6.892 -16.413 -0.519 211 H HIS 33 H HIS 33 -8.129 -17.925 -2.403 212 HA HIS 33 HA HIS 33 -7.590 -17.162 -5.072 213 HB2 HIS 33 1HB HIS 33 -9.648 -18.374 -4.231 214 HB3 HIS 33 2HB HIS 33 -10.218 -16.823 -3.623 215 HD1 HIS 33 1HD HIS 33 -11.397 -15.329 -5.251 216 HD2 HIS 33 2HD HIS 33 -9.399 -18.455 -7.121 217 HE1 HIS 33 1HE HIS 33 -12.096 -15.226 -7.664 218 H ASN 34 H ASN 34 -9.545 -15.295 -2.754 219 HA ASN 34 HA ASN 34 -8.112 -12.869 -3.582 220 HB2 ASN 34 1HB ASN 34 -10.448 -13.330 -4.719 221 HB3 ASN 34 2HB ASN 34 -11.074 -12.736 -3.183 222 HD21 ASN 34 1HD2 ASN 34 -9.771 -11.913 -6.194 223 HD22 ASN 34 2HD2 ASN 34 -9.649 -10.208 -5.948 224 H TYR 35 H TYR 35 -7.046 -12.947 -1.565 225 HA TYR 35 HA TYR 35 -8.726 -12.043 0.670 226 HB2 TYR 35 1HB TYR 35 -7.835 -14.529 0.727 227 HB3 TYR 35 2HB TYR 35 -6.342 -13.753 1.244 228 HD1 TYR 35 2HD TYR 35 -9.928 -14.168 2.087 229 HD2 TYR 35 1HD TYR 35 -6.077 -12.991 3.461 230 HE1 TYR 35 2HE TYR 35 -10.788 -14.062 4.388 231 HE2 TYR 35 1HE TYR 35 -6.926 -12.883 5.767 232 HH TYR 35 HH TYR 35 -8.994 -12.658 6.959 233 H GLN 36 H GLN 36 -8.144 -9.949 0.746 234 HA GLN 36 HA GLN 36 -5.270 -9.358 1.009 235 HB2 GLN 36 1HB GLN 36 -7.424 -7.788 -0.398 236 HB3 GLN 36 2HB GLN 36 -5.893 -7.066 0.079 237 HG2 GLN 36 1HG GLN 36 -5.371 -7.647 -2.045 238 HG3 GLN 36 2HG GLN 36 -4.919 -9.143 -1.231 239 HE21 GLN 36 1HE2 GLN 36 -5.222 -10.322 -3.132 240 HE22 GLN 36 2HE2 GLN 36 -6.799 -10.698 -3.729 241 H LEU 37 H LEU 37 -4.649 -7.951 2.610 242 HA LEU 37 HA LEU 37 -6.679 -6.626 4.220 243 HB2 LEU 37 1HB LEU 37 -4.762 -8.669 5.328 244 HB3 LEU 37 2HB LEU 37 -5.701 -7.552 6.315 245 HG LEU 37 HG LEU 37 -6.874 -9.660 4.502 246 HD11 LEU 37 1HD1 LEU 37 -7.324 -10.942 6.458 247 HD12 LEU 37 2HD1 LEU 37 -6.721 -9.661 7.509 248 HD13 LEU 37 3HD1 LEU 37 -5.605 -10.544 6.468 249 HD21 LEU 37 1HD2 LEU 37 -7.984 -7.407 5.986 250 HD22 LEU 37 2HD2 LEU 37 -8.755 -8.947 6.365 251 HD23 LEU 37 3HD2 LEU 37 -8.694 -8.377 4.696 252 H CYS 38 H CYS 38 -5.711 -5.165 5.849 253 HA CYS 38 HA CYS 38 -3.189 -4.058 4.825 254 HB2 CYS 38 1HB CYS 38 -3.885 -1.944 5.845 255 HB3 CYS 38 2HB CYS 38 -5.126 -2.546 4.751 256 H GLN 39 H GLN 39 -1.894 -2.855 6.556 257 HA GLN 39 HA GLN 39 -0.709 -4.553 8.298 258 HB2 GLN 39 1HB GLN 39 0.217 -2.367 7.847 259 HB3 GLN 39 2HB GLN 39 -1.136 -1.584 8.654 260 HG2 GLN 39 1HG GLN 39 -0.351 -2.054 10.740 261 HG3 GLN 39 2HG GLN 39 0.498 -3.507 10.214 262 HE21 GLN 39 1HE2 GLN 39 2.306 -2.750 11.418 263 HE22 GLN 39 2HE2 GLN 39 3.351 -1.539 10.764 264 H ASP 40 H ASP 40 -3.415 -2.390 9.100 265 HA ASP 40 HA ASP 40 -3.674 -3.121 11.788 266 HB2 ASP 40 1HB ASP 40 -5.513 -1.915 9.759 267 HB3 ASP 40 2HB ASP 40 -6.173 -2.440 11.306 268 H CYS 41 H CYS 41 -5.738 -4.191 9.078 269 HA CYS 41 HA CYS 41 -7.253 -6.080 10.268 270 HB2 CYS 41 1HB CYS 41 -5.981 -6.015 7.552 271 HB3 CYS 41 2HB CYS 41 -6.938 -7.410 8.039 272 H PHE 42 H PHE 42 -3.931 -6.577 9.118 273 HA PHE 42 HA PHE 42 -3.746 -9.296 9.820 274 HB2 PHE 42 1HB PHE 42 -2.180 -7.914 8.327 275 HB3 PHE 42 2HB PHE 42 -1.412 -7.390 9.823 276 HD1 PHE 42 2HD PHE 42 -2.600 -10.622 8.372 277 HD2 PHE 42 1HD PHE 42 0.521 -8.493 10.332 278 HE1 PHE 42 2HE PHE 42 -1.215 -12.655 8.367 279 HE2 PHE 42 1HE PHE 42 1.912 -10.523 10.329 280 HZ PHE 42 HZ PHE 42 1.044 -12.608 9.347 281 H TRP 43 H TRP 43 -2.566 -6.403 11.535 282 HA TRP 43 HA TRP 43 -1.496 -7.556 13.772 283 HB2 TRP 43 1HB TRP 43 -2.927 -4.968 13.313 284 HB3 TRP 43 2HB TRP 43 -2.487 -5.421 14.957 285 HD1 TRP 43 HD TRP 43 -0.394 -5.811 11.711 286 HE1 TRP 43 1HE TRP 43 1.854 -4.612 12.073 287 HE3 TRP 43 3HE TRP 43 -1.244 -3.882 16.369 288 HZ2 TRP 43 2HZ TRP 43 3.103 -3.055 14.069 289 HZ3 TRP 43 3HZ TRP 43 0.529 -2.550 17.435 290 HH2 TRP 43 HH TRP 43 2.657 -2.147 16.307 291 H ARG 44 H ARG 44 -4.899 -6.559 13.396 292 HA ARG 44 HA ARG 44 -5.754 -7.600 15.876 293 HB2 ARG 44 1HB ARG 44 -7.360 -7.095 13.363 294 HB3 ARG 44 2HB ARG 44 -8.029 -7.353 14.969 295 HG2 ARG 44 1HG ARG 44 -6.104 -5.123 14.432 296 HG3 ARG 44 2HG ARG 44 -7.829 -4.953 14.100 297 HD2 ARG 44 1HD ARG 44 -8.358 -5.428 16.410 298 HD3 ARG 44 2HD ARG 44 -6.660 -5.744 16.764 299 HE ARG 44 HE ARG 44 -7.319 -3.097 15.754 300 HH11 ARG 44 2HH1 ARG 44 -6.606 -5.127 18.491 301 HH12 ARG 44 1HH1 ARG 44 -6.182 -3.804 19.526 302 HH21 ARG 44 2HH2 ARG 44 -6.763 -1.347 17.108 303 HH22 ARG 44 1HH2 ARG 44 -6.273 -1.655 18.739 304 H GLY 45 H GLY 45 -5.583 -8.978 12.634 305 HA2 GLY 45 1HA GLY 45 -5.274 -11.285 12.217 306 HA3 GLY 45 2HA GLY 45 -5.918 -11.636 13.814 307 H HIS 46 H HIS 46 -6.569 -11.623 10.531 308 HA HIS 46 HA HIS 46 -9.455 -11.909 11.053 309 HB2 HIS 46 1HB HIS 46 -8.066 -10.650 8.687 310 HB3 HIS 46 2HB HIS 46 -9.756 -11.143 8.647 311 HD1 HIS 46 1HD HIS 46 -9.218 -8.237 8.205 312 HD2 HIS 46 2HD HIS 46 -9.755 -9.849 11.996 313 HE1 HIS 46 1HE HIS 46 -9.929 -6.312 9.659 314 H ALA 47 H ALA 47 -10.560 -13.513 9.889 315 HA ALA 47 HA ALA 47 -9.398 -15.151 7.916 316 HB1 ALA 47 1HB ALA 47 -8.080 -16.470 9.128 317 HB2 ALA 47 2HB ALA 47 -8.700 -15.814 10.644 318 HB3 ALA 47 3HB ALA 47 -9.546 -17.139 9.846 319 H GLY 48 H GLY 48 -10.652 -17.467 8.048 320 HA2 GLY 48 1HA GLY 48 -13.238 -17.522 9.144 321 HA3 GLY 48 2HA GLY 48 -13.343 -16.853 7.522 322 H GLY 49 H GLY 49 -14.749 -18.993 7.680 323 HA2 GLY 49 1HA GLY 49 -13.797 -21.530 7.660 324 HA3 GLY 49 2HA GLY 49 -15.044 -20.986 6.547 325 H SER 50 H SER 50 -13.316 -19.141 5.127 326 HA SER 50 HA SER 50 -12.072 -21.073 3.361 327 HB2 SER 50 1HB SER 50 -12.548 -18.098 3.162 328 HB3 SER 50 2HB SER 50 -11.643 -18.999 1.947 329 HG SER 50 HG SER 50 -13.439 -20.033 1.344 330 H HIS 51 H HIS 51 -10.920 -17.891 4.469 331 HA HIS 51 HA HIS 51 -8.186 -18.629 4.183 332 HB2 HIS 51 1HB HIS 51 -8.901 -16.309 3.921 333 HB3 HIS 51 2HB HIS 51 -9.443 -16.266 5.596 334 HD2 HIS 51 2HD HIS 51 -7.511 -15.604 7.422 335 HE1 HIS 51 1HE HIS 51 -4.216 -15.664 4.749 336 HE2 HIS 51 2HE HIS 51 -4.977 -15.191 7.103 337 H SER 52 H SER 52 -6.695 -19.246 5.681 338 HA SER 52 HA SER 52 -7.751 -19.970 8.329 339 HB2 SER 52 1HB SER 52 -6.991 -21.922 7.185 340 HB3 SER 52 2HB SER 52 -5.500 -21.128 6.680 341 HG SER 52 HG SER 52 -6.042 -21.332 9.417 342 H ASN 53 H ASN 53 -6.761 -19.296 10.173 343 HA ASN 53 HA ASN 53 -5.320 -16.923 10.193 344 HB2 ASN 53 1HB ASN 53 -5.380 -19.060 12.336 345 HB3 ASN 53 2HB ASN 53 -4.897 -17.382 12.570 346 HD21 ASN 53 1HD2 ASN 53 -6.395 -16.039 13.256 347 HD22 ASN 53 2HD2 ASN 53 -8.103 -16.283 13.153 348 H GLN 54 H GLN 54 -4.236 -20.138 9.680 349 HA GLN 54 HA GLN 54 -1.474 -19.567 10.349 350 HB2 GLN 54 1HB GLN 54 -2.601 -21.817 10.688 351 HB3 GLN 54 2HB GLN 54 -2.539 -22.012 8.941 352 HG2 GLN 54 1HG GLN 54 -0.253 -22.235 8.907 353 HG3 GLN 54 2HG GLN 54 -0.039 -21.371 10.428 354 HE21 GLN 54 1HE2 GLN 54 0.648 -24.152 9.270 355 HE22 GLN 54 2HE2 GLN 54 0.233 -25.222 10.561 356 H HIS 55 H HIS 55 -2.922 -18.104 8.179 357 HA HIS 55 HA HIS 55 -1.239 -18.860 5.887 358 HB2 HIS 55 1HB HIS 55 -3.890 -17.467 6.096 359 HB3 HIS 55 2HB HIS 55 -2.880 -17.246 4.670 360 HD2 HIS 55 2HD HIS 55 -2.748 -20.827 6.015 361 HE1 HIS 55 1HE HIS 55 -5.522 -20.799 2.805 362 HE2 HIS 55 2HE HIS 55 -4.258 -22.228 4.450 363 H GLN 56 H GLN 56 0.484 -17.647 5.511 364 HA GLN 56 HA GLN 56 0.859 -15.142 6.880 365 HB2 GLN 56 1HB GLN 56 2.535 -16.906 5.153 366 HB3 GLN 56 2HB GLN 56 3.014 -15.225 5.345 367 HG2 GLN 56 1HG GLN 56 3.467 -15.466 7.587 368 HG3 GLN 56 2HG GLN 56 2.406 -16.863 7.758 369 HE21 GLN 56 1HE2 GLN 56 4.956 -16.851 8.788 370 HE22 GLN 56 2HE2 GLN 56 5.934 -17.974 7.912 371 H MET 57 H MET 57 0.935 -13.106 6.013 372 HA MET 57 HA MET 57 -0.200 -12.838 3.319 373 HB2 MET 57 1HB MET 57 -0.020 -10.741 5.487 374 HB3 MET 57 2HB MET 57 -0.924 -10.628 3.983 375 HG2 MET 57 1HG MET 57 -2.150 -12.739 4.882 376 HG3 MET 57 2HG MET 57 -1.526 -12.202 6.440 377 HE1 MET 57 1HE MET 57 -3.402 -10.764 3.212 378 HE2 MET 57 2HE MET 57 -4.304 -12.062 3.995 379 HE3 MET 57 3HE MET 57 -4.933 -10.413 4.015 380 H LYS 58 H LYS 58 0.867 -11.819 1.715 381 HA LYS 58 HA LYS 58 3.604 -10.935 2.292 382 HB2 LYS 58 1HB LYS 58 2.316 -11.619 -0.357 383 HB3 LYS 58 2HB LYS 58 4.009 -11.213 -0.112 384 HG2 LYS 58 1HG LYS 58 2.917 -13.470 1.462 385 HG3 LYS 58 2HG LYS 58 3.145 -13.717 -0.271 386 HD2 LYS 58 1HD LYS 58 5.182 -14.391 0.611 387 HD3 LYS 58 2HD LYS 58 5.500 -12.718 0.146 388 HE2 LYS 58 1HE LYS 58 5.302 -11.968 2.389 389 HE3 LYS 58 2HE LYS 58 4.637 -13.513 2.918 390 HZ1 LYS 58 1HZ LYS 58 6.771 -14.548 2.426 391 HZ2 LYS 58 2HZ LYS 58 6.949 -13.302 3.555 392 HZ3 LYS 58 3HZ LYS 58 7.406 -13.056 1.945 393 H GLU 59 H GLU 59 4.358 -8.927 1.701 394 HA GLU 59 HA GLU 59 2.310 -6.904 1.285 395 HB2 GLU 59 1HB GLU 59 4.221 -6.749 2.992 396 HB3 GLU 59 2HB GLU 59 5.260 -6.402 1.617 397 HG2 GLU 59 1HG GLU 59 2.792 -4.807 2.225 398 HG3 GLU 59 2HG GLU 59 4.375 -4.416 2.894 399 H TYR 60 H TYR 60 1.847 -6.079 -0.637 400 HA TYR 60 HA TYR 60 3.825 -6.370 -2.802 401 HB2 TYR 60 1HB TYR 60 0.807 -6.395 -2.893 402 HB3 TYR 60 2HB TYR 60 1.812 -6.252 -4.331 403 HD1 TYR 60 1HD TYR 60 0.800 -8.482 -1.582 404 HD2 TYR 60 2HD TYR 60 2.981 -8.150 -5.220 405 HE1 TYR 60 1HE TYR 60 0.977 -10.932 -1.692 406 HE2 TYR 60 2HE TYR 60 3.164 -10.600 -5.341 407 HH TYR 60 HH TYR 60 1.396 -12.644 -4.005 408 H THR 61 H THR 61 3.768 -4.693 -4.473 409 HA THR 61 HA THR 61 4.267 -2.180 -3.624 410 HB THR 61 HB THR 61 2.883 -2.826 -6.235 411 HG1 THR 61 1HG THR 61 5.287 -2.631 -6.839 412 HG21 THR 61 1HG2 THR 61 2.942 -0.619 -6.572 413 HG22 THR 61 2HG2 THR 61 4.701 -0.740 -6.581 414 HG23 THR 61 3HG2 THR 61 3.851 -0.356 -5.085 415 H SER 62 H SER 62 1.129 -3.008 -5.115 416 HA SER 62 HA SER 62 -0.441 -1.818 -3.104 417 HB2 SER 62 1HB SER 62 -1.234 0.170 -4.458 418 HB3 SER 62 2HB SER 62 0.399 0.308 -3.809 419 HG SER 62 HG SER 62 -0.328 -0.397 -6.460 420 H TRP 63 H TRP 63 -2.712 -1.822 -3.615 421 HA TRP 63 HA TRP 63 -3.597 -4.030 -4.993 422 HB2 TRP 63 1HB TRP 63 -5.030 -1.454 -4.340 423 HB3 TRP 63 2HB TRP 63 -5.847 -2.855 -5.028 424 HD1 TRP 63 HD TRP 63 -5.643 -5.179 -3.456 425 HE1 TRP 63 1HE TRP 63 -5.773 -5.372 -0.893 426 HE3 TRP 63 3HE TRP 63 -4.592 -0.330 -2.223 427 HZ2 TRP 63 2HZ TRP 63 -5.471 -3.691 1.355 428 HZ3 TRP 63 3HZ TRP 63 -4.532 0.295 0.156 429 HH2 TRP 63 HH TRP 63 -4.963 -1.352 1.906 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -17.113 6.532 14.083 2 HA2 GLY 1 1HA GLY 1 -18.807 8.094 13.561 3 HA3 GLY 1 2HA GLY 1 -17.568 9.302 13.257 4 H SER 2 H SER 2 -18.777 9.775 11.309 5 HA SER 2 HA SER 2 -17.927 8.045 9.105 6 HB2 SER 2 1HB SER 2 -20.303 7.494 9.691 7 HB3 SER 2 2HB SER 2 -20.733 9.160 9.304 8 HG SER 2 HG SER 2 -20.478 8.762 7.226 9 H SER 3 H SER 3 -18.296 9.174 6.953 10 HA SER 3 HA SER 3 -18.578 11.990 6.855 11 HB2 SER 3 1HB SER 3 -16.313 11.750 7.969 12 HB3 SER 3 2HB SER 3 -15.737 11.033 6.464 13 HG SER 3 HG SER 3 -17.082 13.466 6.291 14 H GLY 4 H GLY 4 -19.423 12.308 4.912 15 HA2 GLY 4 1HA GLY 4 -19.566 10.452 2.870 16 HA3 GLY 4 2HA GLY 4 -19.777 12.182 2.646 17 H SER 5 H SER 5 -18.655 10.470 0.715 18 HA SER 5 HA SER 5 -15.915 11.541 0.610 19 HB2 SER 5 1HB SER 5 -15.045 9.518 -0.241 20 HB3 SER 5 2HB SER 5 -16.093 9.020 1.087 21 HG SER 5 HG SER 5 -17.621 8.369 -0.363 22 H SER 6 H SER 6 -15.511 12.719 -1.140 23 HA SER 6 HA SER 6 -16.455 12.114 -3.736 24 HB2 SER 6 1HB SER 6 -17.953 14.048 -4.068 25 HB3 SER 6 2HB SER 6 -18.590 12.934 -2.858 26 HG SER 6 HG SER 6 -17.508 15.499 -2.533 27 H GLY 7 H GLY 7 -15.127 13.029 -5.185 28 HA2 GLY 7 1HA GLY 7 -14.158 15.488 -5.508 29 HA3 GLY 7 2HA GLY 7 -13.138 14.915 -4.197 30 H VAL 8 H VAL 8 -11.199 14.472 -5.005 31 HA VAL 8 HA VAL 8 -11.062 12.943 -7.523 32 HB VAL 8 HB VAL 8 -8.800 13.925 -7.841 33 HG11 VAL 8 1HG1 VAL 8 -9.611 16.199 -8.475 34 HG12 VAL 8 2HG1 VAL 8 -10.625 14.879 -9.060 35 HG13 VAL 8 3HG1 VAL 8 -11.130 15.828 -7.661 36 HG21 VAL 8 1HG2 VAL 8 -7.838 14.847 -6.052 37 HG22 VAL 8 2HG2 VAL 8 -8.874 16.246 -6.338 38 HG23 VAL 8 3HG2 VAL 8 -9.377 14.993 -5.203 39 H PHE 9 H PHE 9 -11.194 10.980 -6.298 40 HA PHE 9 HA PHE 9 -8.593 10.194 -5.212 41 HB2 PHE 9 1HB PHE 9 -11.232 9.673 -3.828 42 HB3 PHE 9 2HB PHE 9 -9.681 9.001 -3.339 43 HD1 PHE 9 2HD PHE 9 -7.882 10.544 -2.539 44 HD2 PHE 9 1HD PHE 9 -11.889 11.832 -3.175 45 HE1 PHE 9 2HE PHE 9 -7.464 12.525 -1.141 46 HE2 PHE 9 1HE PHE 9 -11.477 13.815 -1.779 47 HZ PHE 9 HZ PHE 9 -9.262 14.163 -0.758 48 H HIS 10 H HIS 10 -8.239 7.888 -5.204 49 HA HIS 10 HA HIS 10 -9.751 6.564 -7.338 50 HB2 HIS 10 1HB HIS 10 -6.984 6.201 -6.226 51 HB3 HIS 10 2HB HIS 10 -7.746 4.920 -7.164 52 HD1 HIS 10 1HD HIS 10 -7.575 8.682 -7.747 53 HD2 HIS 10 2HD HIS 10 -6.698 5.091 -9.644 54 HE1 HIS 10 1HE HIS 10 -6.761 9.314 -10.041 55 HA PRO 11 HA PRO 11 -11.637 3.655 -4.646 56 HB2 PRO 11 1HB PRO 11 -11.719 1.452 -6.230 57 HB3 PRO 11 2HB PRO 11 -12.757 2.859 -6.487 58 HG2 PRO 11 1HG PRO 11 -10.212 2.104 -7.871 59 HG3 PRO 11 2HG PRO 11 -11.717 2.737 -8.563 60 HD2 PRO 11 1HD PRO 11 -9.550 4.297 -8.114 61 HD3 PRO 11 2HD PRO 11 -11.211 4.912 -7.994 62 H VAL 12 H VAL 12 -9.842 3.580 -3.137 63 HA VAL 12 HA VAL 12 -8.430 1.003 -3.257 64 HB VAL 12 HB VAL 12 -7.192 3.600 -2.332 65 HG11 VAL 12 1HG1 VAL 12 -5.429 2.443 -1.531 66 HG12 VAL 12 2HG1 VAL 12 -6.616 1.146 -1.379 67 HG13 VAL 12 3HG1 VAL 12 -5.540 1.200 -2.776 68 HG21 VAL 12 1HG2 VAL 12 -6.406 1.928 -4.709 69 HG22 VAL 12 2HG2 VAL 12 -7.487 3.318 -4.820 70 HG23 VAL 12 3HG2 VAL 12 -5.825 3.535 -4.272 71 H GLU 13 H GLU 13 -9.930 0.121 -1.810 72 HA GLU 13 HA GLU 13 -9.622 1.072 0.956 73 HB2 GLU 13 1HB GLU 13 -12.209 -0.023 -0.144 74 HB3 GLU 13 2HB GLU 13 -11.938 0.716 1.428 75 HG2 GLU 13 1HG GLU 13 -11.599 2.867 0.422 76 HG3 GLU 13 2HG GLU 13 -11.677 2.168 -1.194 77 H CYS 14 H CYS 14 -9.439 -0.492 2.513 78 HA CYS 14 HA CYS 14 -8.365 -2.954 1.860 79 HB2 CYS 14 1HB CYS 14 -8.454 -1.653 4.130 80 HB3 CYS 14 2HB CYS 14 -9.898 -2.618 4.414 81 H SER 15 H SER 15 -9.364 -5.093 2.776 82 HA SER 15 HA SER 15 -11.767 -5.552 1.236 83 HB2 SER 15 1HB SER 15 -10.008 -7.207 1.087 84 HB3 SER 15 2HB SER 15 -10.006 -7.422 2.837 85 HG SER 15 HG SER 15 -12.278 -8.081 2.535 86 H TYR 16 H TYR 16 -10.810 -5.433 4.609 87 HA TYR 16 HA TYR 16 -13.592 -5.984 5.396 88 HB2 TYR 16 1HB TYR 16 -11.904 -7.508 6.358 89 HB3 TYR 16 2HB TYR 16 -11.080 -6.129 7.077 90 HD1 TYR 16 2HD TYR 16 -12.561 -4.641 8.655 91 HD2 TYR 16 1HD TYR 16 -13.464 -8.667 7.616 92 HE1 TYR 16 2HE TYR 16 -13.979 -4.832 10.656 93 HE2 TYR 16 1HE TYR 16 -14.886 -8.869 9.613 94 HH TYR 16 HH TYR 16 -15.363 -7.893 11.641 95 H CYS 17 H CYS 17 -10.845 -4.111 6.694 96 HA CYS 17 HA CYS 17 -12.512 -2.220 7.992 97 HB2 CYS 17 1HB CYS 17 -10.544 -1.166 8.683 98 HB3 CYS 17 2HB CYS 17 -10.048 -2.844 8.483 99 H HIS 18 H HIS 18 -12.014 -2.673 4.785 100 HA HIS 18 HA HIS 18 -11.973 -1.310 2.917 101 HB2 HIS 18 1HB HIS 18 -14.023 0.052 2.792 102 HB3 HIS 18 2HB HIS 18 -14.343 -1.545 3.461 103 HD1 HIS 18 1HD HIS 18 -14.187 2.077 4.424 104 HD2 HIS 18 2HD HIS 18 -15.267 -1.575 6.083 105 HE1 HIS 18 1HE HIS 18 -15.369 2.638 6.572 106 H SER 19 H SER 19 -9.895 -0.429 4.264 107 HA SER 19 HA SER 19 -9.831 2.100 5.347 108 HB2 SER 19 1HB SER 19 -7.913 0.438 5.117 109 HB3 SER 19 2HB SER 19 -7.688 1.069 3.486 110 HG SER 19 HG SER 19 -6.415 2.064 5.247 111 H GLU 20 H GLU 20 -8.416 3.897 4.057 112 HA GLU 20 HA GLU 20 -9.831 4.420 1.528 113 HB2 GLU 20 1HB GLU 20 -9.912 6.814 2.147 114 HB3 GLU 20 2HB GLU 20 -10.846 5.800 3.238 115 HG2 GLU 20 1HG GLU 20 -9.774 7.203 4.700 116 HG3 GLU 20 2HG GLU 20 -8.692 5.812 4.681 117 H SER 21 H SER 21 -6.921 4.656 3.412 118 HA SER 21 HA SER 21 -5.263 6.360 2.219 119 HB2 SER 21 1HB SER 21 -3.418 4.878 2.646 120 HB3 SER 21 2HB SER 21 -4.619 4.608 3.910 121 HG SER 21 HG SER 21 -4.054 2.610 3.213 122 H MET 22 H MET 22 -4.262 6.717 0.305 123 HA MET 22 HA MET 22 -5.351 5.799 -2.067 124 HB2 MET 22 1HB MET 22 -3.902 7.831 -1.756 125 HB3 MET 22 2HB MET 22 -2.507 6.759 -1.730 126 HG2 MET 22 1HG MET 22 -2.957 7.861 -3.922 127 HG3 MET 22 2HG MET 22 -2.856 6.103 -3.976 128 HE1 MET 22 1HE MET 22 -5.361 8.651 -2.845 129 HE2 MET 22 2HE MET 22 -5.588 9.193 -4.508 130 HE3 MET 22 3HE MET 22 -6.859 8.275 -3.698 131 H MET 23 H MET 23 -4.071 4.652 -3.836 132 HA MET 23 HA MET 23 -3.848 2.015 -3.454 133 HB2 MET 23 1HB MET 23 -3.357 3.533 -5.564 134 HB3 MET 23 2HB MET 23 -1.684 3.234 -5.112 135 HG2 MET 23 1HG MET 23 -2.190 1.584 -6.680 136 HG3 MET 23 2HG MET 23 -2.280 0.769 -5.120 137 HE1 MET 23 1HE MET 23 -5.216 -0.381 -4.347 138 HE2 MET 23 2HE MET 23 -4.884 -1.328 -5.797 139 HE3 MET 23 3HE MET 23 -3.552 -0.773 -4.782 140 H GLY 24 H GLY 24 -2.186 0.487 -3.023 141 HA2 GLY 24 1HA GLY 24 0.027 -0.078 -2.305 142 HA3 GLY 24 2HA GLY 24 0.189 1.544 -1.646 143 H PHE 25 H PHE 25 0.838 -0.753 -0.197 144 HA PHE 25 HA PHE 25 0.616 -1.492 1.952 145 HB2 PHE 25 1HB PHE 25 -1.932 -0.009 2.400 146 HB3 PHE 25 2HB PHE 25 -0.571 -0.255 3.489 147 HD1 PHE 25 1HD PHE 25 1.703 0.759 2.089 148 HD2 PHE 25 2HD PHE 25 -2.287 2.241 2.133 149 HE1 PHE 25 1HE PHE 25 2.537 3.012 1.556 150 HE2 PHE 25 2HE PHE 25 -1.459 4.496 1.599 151 HZ PHE 25 HZ PHE 25 0.956 4.883 1.309 152 H ARG 26 H ARG 26 -0.150 -3.196 0.110 153 HA ARG 26 HA ARG 26 -2.739 -4.258 1.034 154 HB2 ARG 26 1HB ARG 26 -2.690 -5.504 -1.208 155 HB3 ARG 26 2HB ARG 26 -3.043 -3.782 -1.242 156 HG2 ARG 26 1HG ARG 26 -0.612 -3.401 -1.753 157 HG3 ARG 26 2HG ARG 26 -0.467 -5.147 -1.965 158 HD2 ARG 26 1HD ARG 26 -1.968 -5.143 -3.795 159 HD3 ARG 26 2HD ARG 26 -2.490 -3.494 -3.453 160 HE ARG 26 HE ARG 26 0.149 -3.206 -3.950 161 HH11 ARG 26 2HH1 ARG 26 -2.447 -4.755 -5.676 162 HH12 ARG 26 1HH1 ARG 26 -1.753 -4.470 -7.238 163 HH21 ARG 26 2HH2 ARG 26 1.073 -2.825 -6.000 164 HH22 ARG 26 1HH2 ARG 26 0.250 -3.373 -7.421 165 H TYR 27 H TYR 27 -2.725 -6.179 2.012 166 HA TYR 27 HA TYR 27 -0.258 -7.782 1.866 167 HB2 TYR 27 1HB TYR 27 -2.281 -7.539 4.100 168 HB3 TYR 27 2HB TYR 27 -0.941 -8.680 4.095 169 HD1 TYR 27 2HD TYR 27 -1.335 -5.027 3.369 170 HD2 TYR 27 1HD TYR 27 0.780 -8.054 5.484 171 HE1 TYR 27 2HE TYR 27 0.122 -3.310 4.358 172 HE2 TYR 27 1HE TYR 27 2.243 -6.345 6.479 173 HH TYR 27 HH TYR 27 2.288 -3.096 5.375 174 H ARG 28 H ARG 28 -0.724 -9.186 0.235 175 HA ARG 28 HA ARG 28 -3.282 -10.539 0.128 176 HB2 ARG 28 1HB ARG 28 -2.042 -9.811 -1.922 177 HB3 ARG 28 2HB ARG 28 -0.819 -11.020 -1.554 178 HG2 ARG 28 1HG ARG 28 -2.848 -12.660 -1.555 179 HG3 ARG 28 2HG ARG 28 -3.619 -11.386 -2.501 180 HD2 ARG 28 1HD ARG 28 -2.658 -12.765 -4.114 181 HD3 ARG 28 2HD ARG 28 -1.496 -11.450 -3.943 182 HE ARG 28 HE ARG 28 0.010 -12.927 -2.994 183 HH11 ARG 28 2HH1 ARG 28 -3.091 -14.452 -3.416 184 HH12 ARG 28 1HH1 ARG 28 -2.493 -16.049 -3.107 185 HH21 ARG 28 2HH2 ARG 28 0.809 -15.024 -2.584 186 HH22 ARG 28 1HH2 ARG 28 -0.275 -16.372 -2.633 187 H CYS 29 H CYS 29 -3.725 -12.366 1.155 188 HA CYS 29 HA CYS 29 -2.053 -13.693 2.890 189 HB2 CYS 29 1HB CYS 29 -4.396 -14.085 3.037 190 HB3 CYS 29 2HB CYS 29 -4.474 -14.670 1.379 191 H GLN 30 H GLN 30 -1.223 -15.933 2.768 192 HA GLN 30 HA GLN 30 0.520 -16.220 0.535 193 HB2 GLN 30 1HB GLN 30 -0.086 -18.075 2.841 194 HB3 GLN 30 2HB GLN 30 1.183 -18.354 1.657 195 HG2 GLN 30 1HG GLN 30 1.899 -15.916 2.409 196 HG3 GLN 30 2HG GLN 30 1.051 -16.400 3.877 197 HE21 GLN 30 1HE2 GLN 30 3.975 -16.019 2.955 198 HE22 GLN 30 2HE2 GLN 30 4.769 -17.409 3.603 199 H GLN 31 H GLN 31 -1.645 -18.732 1.817 200 HA GLN 31 HA GLN 31 -2.206 -19.529 -0.959 201 HB2 GLN 31 1HB GLN 31 -1.070 -21.147 0.678 202 HB3 GLN 31 2HB GLN 31 -2.635 -21.253 1.471 203 HG2 GLN 31 1HG GLN 31 -2.380 -23.099 -0.035 204 HG3 GLN 31 2HG GLN 31 -3.627 -22.015 -0.651 205 HE21 GLN 31 1HE2 GLN 31 -3.058 -23.356 -2.601 206 HE22 GLN 31 2HE2 GLN 31 -1.822 -22.738 -3.638 207 H CYS 32 H CYS 32 -4.051 -18.581 -1.581 208 HA CYS 32 HA CYS 32 -6.524 -19.386 -0.498 209 HB2 CYS 32 1HB CYS 32 -5.396 -16.821 0.481 210 HB3 CYS 32 2HB CYS 32 -7.096 -16.811 0.023 211 H HIS 33 H HIS 33 -8.373 -18.075 -1.492 212 HA HIS 33 HA HIS 33 -7.827 -17.811 -4.303 213 HB2 HIS 33 1HB HIS 33 -10.293 -17.695 -2.601 214 HB3 HIS 33 2HB HIS 33 -10.352 -17.128 -4.267 215 HD1 HIS 33 1HD HIS 33 -9.245 -19.070 -5.999 216 HD2 HIS 33 2HD HIS 33 -10.956 -20.298 -2.417 217 HE1 HIS 33 1HE HIS 33 -9.773 -21.509 -6.308 218 H ASN 34 H ASN 34 -9.725 -15.608 -2.258 219 HA ASN 34 HA ASN 34 -8.159 -13.357 -3.307 220 HB2 ASN 34 1HB ASN 34 -11.157 -13.676 -3.381 221 HB3 ASN 34 2HB ASN 34 -10.384 -12.096 -3.469 222 HD21 ASN 34 1HD2 ASN 34 -8.737 -11.845 -5.189 223 HD22 ASN 34 2HD2 ASN 34 -9.037 -12.612 -6.708 224 H TYR 35 H TYR 35 -7.159 -13.261 -1.254 225 HA TYR 35 HA TYR 35 -8.857 -12.021 0.799 226 HB2 TYR 35 1HB TYR 35 -8.069 -14.535 1.152 227 HB3 TYR 35 2HB TYR 35 -6.590 -13.745 1.686 228 HD1 TYR 35 2HD TYR 35 -10.262 -13.826 2.281 229 HD2 TYR 35 1HD TYR 35 -6.420 -12.909 3.862 230 HE1 TYR 35 2HE TYR 35 -11.268 -13.452 4.494 231 HE2 TYR 35 1HE TYR 35 -7.415 -12.534 6.080 232 HH TYR 35 HH TYR 35 -9.367 -13.088 7.339 233 H GLN 36 H GLN 36 -8.162 -9.965 0.642 234 HA GLN 36 HA GLN 36 -5.282 -9.492 1.028 235 HB2 GLN 36 1HB GLN 36 -7.180 -8.214 -0.905 236 HB3 GLN 36 2HB GLN 36 -5.819 -7.290 -0.284 237 HG2 GLN 36 1HG GLN 36 -4.261 -8.889 -1.171 238 HG3 GLN 36 2HG GLN 36 -5.578 -9.948 -1.672 239 HE21 GLN 36 1HE2 GLN 36 -4.824 -6.493 -2.008 240 HE22 GLN 36 2HE2 GLN 36 -5.085 -6.429 -3.715 241 H LEU 37 H LEU 37 -4.838 -8.381 2.808 242 HA LEU 37 HA LEU 37 -6.853 -6.512 3.854 243 HB2 LEU 37 1HB LEU 37 -5.226 -8.492 5.439 244 HB3 LEU 37 2HB LEU 37 -6.213 -7.212 6.143 245 HG LEU 37 HG LEU 37 -7.317 -9.440 4.437 246 HD11 LEU 37 1HD1 LEU 37 -7.466 -9.240 7.433 247 HD12 LEU 37 2HD1 LEU 37 -6.234 -10.184 6.597 248 HD13 LEU 37 3HD1 LEU 37 -7.939 -10.589 6.400 249 HD21 LEU 37 1HD2 LEU 37 -8.517 -7.164 4.760 250 HD22 LEU 37 2HD2 LEU 37 -8.833 -7.756 6.391 251 HD23 LEU 37 3HD2 LEU 37 -9.423 -8.659 4.995 252 H CYS 38 H CYS 38 -5.736 -5.221 5.766 253 HA CYS 38 HA CYS 38 -3.196 -4.212 4.673 254 HB2 CYS 38 1HB CYS 38 -3.744 -2.066 5.621 255 HB3 CYS 38 2HB CYS 38 -5.132 -2.631 4.698 256 H GLN 39 H GLN 39 -1.500 -3.669 6.086 257 HA GLN 39 HA GLN 39 -0.642 -5.360 7.932 258 HB2 GLN 39 1HB GLN 39 0.291 -3.006 7.148 259 HB3 GLN 39 2HB GLN 39 -0.332 -2.498 8.712 260 HG2 GLN 39 1HG GLN 39 1.008 -4.405 9.704 261 HG3 GLN 39 2HG GLN 39 1.795 -4.532 8.131 262 HE21 GLN 39 1HE2 GLN 39 3.737 -3.677 8.265 263 HE22 GLN 39 2HE2 GLN 39 4.142 -2.182 9.030 264 H ASP 40 H ASP 40 -2.651 -2.554 8.819 265 HA ASP 40 HA ASP 40 -2.913 -3.049 11.522 266 HB2 ASP 40 1HB ASP 40 -5.097 -1.979 9.724 267 HB3 ASP 40 2HB ASP 40 -4.928 -1.705 11.456 268 H CYS 41 H CYS 41 -5.211 -4.057 8.983 269 HA CYS 41 HA CYS 41 -6.936 -5.543 10.523 270 HB2 CYS 41 1HB CYS 41 -6.073 -5.697 7.669 271 HB3 CYS 41 2HB CYS 41 -7.060 -7.004 8.315 272 H PHE 42 H PHE 42 -4.012 -6.724 8.870 273 HA PHE 42 HA PHE 42 -4.123 -9.376 9.641 274 HB2 PHE 42 1HB PHE 42 -2.459 -8.213 8.069 275 HB3 PHE 42 2HB PHE 42 -1.533 -7.842 9.520 276 HD1 PHE 42 2HD PHE 42 -3.410 -10.915 8.584 277 HD2 PHE 42 1HD PHE 42 0.370 -9.145 9.416 278 HE1 PHE 42 2HE PHE 42 -2.350 -13.132 8.469 279 HE2 PHE 42 1HE PHE 42 1.436 -11.359 9.302 280 HZ PHE 42 HZ PHE 42 0.076 -13.357 8.829 281 H TRP 43 H TRP 43 -2.347 -6.762 11.294 282 HA TRP 43 HA TRP 43 -1.428 -8.176 13.472 283 HB2 TRP 43 1HB TRP 43 -2.243 -5.302 13.135 284 HB3 TRP 43 2HB TRP 43 -1.683 -5.901 14.694 285 HD1 TRP 43 HD TRP 43 -0.299 -6.395 11.089 286 HE1 TRP 43 1HE TRP 43 2.218 -5.857 11.137 287 HE3 TRP 43 3HE TRP 43 0.159 -5.090 16.011 288 HZ2 TRP 43 2HZ TRP 43 4.142 -4.994 13.013 289 HZ3 TRP 43 3HZ TRP 43 2.372 -4.421 16.852 290 HH2 TRP 43 HH TRP 43 4.322 -4.375 15.383 291 H ARG 44 H ARG 44 -4.567 -6.569 13.083 292 HA ARG 44 HA ARG 44 -5.553 -7.074 15.659 293 HB2 ARG 44 1HB ARG 44 -7.090 -6.814 13.068 294 HB3 ARG 44 2HB ARG 44 -7.779 -6.690 14.681 295 HG2 ARG 44 1HG ARG 44 -5.564 -4.871 13.824 296 HG3 ARG 44 2HG ARG 44 -7.239 -4.536 13.381 297 HD2 ARG 44 1HD ARG 44 -6.603 -5.161 16.223 298 HD3 ARG 44 2HD ARG 44 -6.185 -3.568 15.593 299 HE ARG 44 HE ARG 44 -8.861 -4.222 14.944 300 HH11 ARG 44 2HH1 ARG 44 -6.844 -3.241 17.606 301 HH12 ARG 44 1HH1 ARG 44 -8.131 -2.458 18.462 302 HH21 ARG 44 2HH2 ARG 44 -10.563 -3.194 16.061 303 HH22 ARG 44 1HH2 ARG 44 -10.246 -2.433 17.583 304 H GLY 45 H GLY 45 -5.637 -9.005 12.702 305 HA2 GLY 45 1HA GLY 45 -5.570 -11.398 12.803 306 HA3 GLY 45 2HA GLY 45 -6.415 -11.319 14.343 307 H HIS 46 H HIS 46 -6.726 -11.423 10.909 308 HA HIS 46 HA HIS 46 -9.656 -11.535 11.205 309 HB2 HIS 46 1HB HIS 46 -7.975 -10.333 9.018 310 HB3 HIS 46 2HB HIS 46 -9.640 -10.826 8.723 311 HD1 HIS 46 1HD HIS 46 -10.275 -8.335 8.289 312 HD2 HIS 46 2HD HIS 46 -8.901 -9.126 12.130 313 HE1 HIS 46 1HE HIS 46 -10.882 -6.310 9.651 314 H ALA 47 H ALA 47 -10.737 -13.186 10.197 315 HA ALA 47 HA ALA 47 -9.640 -14.871 8.218 316 HB1 ALA 47 1HB ALA 47 -8.384 -16.266 9.399 317 HB2 ALA 47 2HB ALA 47 -8.850 -15.477 10.907 318 HB3 ALA 47 3HB ALA 47 -9.835 -16.788 10.256 319 H GLY 48 H GLY 48 -10.940 -17.173 8.446 320 HA2 GLY 48 1HA GLY 48 -13.521 -17.125 9.553 321 HA3 GLY 48 2HA GLY 48 -13.618 -16.516 7.907 322 H GLY 49 H GLY 49 -15.070 -18.632 8.198 323 HA2 GLY 49 1HA GLY 49 -14.265 -21.181 8.277 324 HA3 GLY 49 2HA GLY 49 -15.393 -20.627 7.048 325 H SER 50 H SER 50 -13.391 -18.924 5.746 326 HA SER 50 HA SER 50 -12.083 -21.036 4.212 327 HB2 SER 50 1HB SER 50 -12.837 -18.193 3.677 328 HB3 SER 50 2HB SER 50 -11.511 -18.900 2.754 329 HG SER 50 HG SER 50 -13.695 -19.126 1.847 330 H HIS 51 H HIS 51 -11.024 -17.721 4.932 331 HA HIS 51 HA HIS 51 -8.282 -18.426 4.956 332 HB2 HIS 51 1HB HIS 51 -9.086 -16.157 4.414 333 HB3 HIS 51 2HB HIS 51 -9.620 -15.956 6.080 334 HD2 HIS 51 2HD HIS 51 -7.696 -15.064 7.809 335 HE1 HIS 51 1HE HIS 51 -4.405 -15.372 5.149 336 HE2 HIS 51 2HE HIS 51 -5.169 -14.655 7.439 337 H SER 52 H SER 52 -6.843 -18.690 6.641 338 HA SER 52 HA SER 52 -8.073 -19.202 9.269 339 HB2 SER 52 1HB SER 52 -7.173 -21.232 8.275 340 HB3 SER 52 2HB SER 52 -5.617 -20.446 8.006 341 HG SER 52 HG SER 52 -6.828 -21.072 10.493 342 H ASN 53 H ASN 53 -6.881 -18.648 11.158 343 HA ASN 53 HA ASN 53 -5.617 -16.122 11.011 344 HB2 ASN 53 1HB ASN 53 -5.350 -16.294 13.398 345 HB3 ASN 53 2HB ASN 53 -6.919 -16.973 12.975 346 HD21 ASN 53 1HD2 ASN 53 -7.108 -19.288 12.876 347 HD22 ASN 53 2HD2 ASN 53 -6.095 -20.272 13.872 348 H GLN 54 H GLN 54 -4.440 -19.280 10.598 349 HA GLN 54 HA GLN 54 -1.696 -18.549 11.291 350 HB2 GLN 54 1HB GLN 54 -2.901 -20.819 11.826 351 HB3 GLN 54 2HB GLN 54 -2.463 -21.215 10.170 352 HG2 GLN 54 1HG GLN 54 -0.091 -20.373 10.993 353 HG3 GLN 54 2HG GLN 54 -0.747 -20.856 12.557 354 HE21 GLN 54 1HE2 GLN 54 -0.687 -22.107 9.232 355 HE22 GLN 54 2HE2 GLN 54 -0.270 -23.725 9.668 356 H HIS 55 H HIS 55 -3.226 -17.486 8.940 357 HA HIS 55 HA HIS 55 -1.559 -18.516 6.751 358 HB2 HIS 55 1HB HIS 55 -4.213 -17.132 6.850 359 HB3 HIS 55 2HB HIS 55 -3.229 -17.007 5.395 360 HD2 HIS 55 2HD HIS 55 -3.079 -20.452 7.102 361 HE1 HIS 55 1HE HIS 55 -5.747 -20.768 3.819 362 HE2 HIS 55 2HE HIS 55 -4.533 -22.014 5.641 363 H GLN 56 H GLN 56 0.154 -17.376 6.161 364 HA GLN 56 HA GLN 56 0.657 -14.770 7.231 365 HB2 GLN 56 1HB GLN 56 2.135 -16.720 5.544 366 HB3 GLN 56 2HB GLN 56 2.628 -15.034 5.443 367 HG2 GLN 56 1HG GLN 56 2.465 -16.650 7.977 368 HG3 GLN 56 2HG GLN 56 3.939 -16.303 7.076 369 HE21 GLN 56 1HE2 GLN 56 4.326 -13.926 6.688 370 HE22 GLN 56 2HE2 GLN 56 4.018 -12.864 8.015 371 H MET 57 H MET 57 1.244 -12.897 5.896 372 HA MET 57 HA MET 57 -0.192 -12.806 3.332 373 HB2 MET 57 1HB MET 57 -0.258 -10.594 5.387 374 HB3 MET 57 2HB MET 57 -1.136 -10.653 3.864 375 HG2 MET 57 1HG MET 57 -2.291 -12.716 4.780 376 HG3 MET 57 2HG MET 57 -1.598 -12.280 6.340 377 HE1 MET 57 1HE MET 57 -3.992 -10.997 3.408 378 HE2 MET 57 2HE MET 57 -4.602 -12.302 4.425 379 HE3 MET 57 3HE MET 57 -5.359 -10.710 4.485 380 H LYS 58 H LYS 58 0.735 -11.573 1.741 381 HA LYS 58 HA LYS 58 3.441 -10.595 2.316 382 HB2 LYS 58 1HB LYS 58 2.101 -11.743 -0.076 383 HB3 LYS 58 2HB LYS 58 3.347 -10.534 -0.360 384 HG2 LYS 58 1HG LYS 58 4.636 -12.398 -0.395 385 HG3 LYS 58 2HG LYS 58 4.692 -12.059 1.337 386 HD2 LYS 58 1HD LYS 58 4.161 -14.299 1.337 387 HD3 LYS 58 2HD LYS 58 2.555 -13.569 1.397 388 HE2 LYS 58 1HE LYS 58 2.090 -14.094 -0.800 389 HE3 LYS 58 2HE LYS 58 3.793 -14.172 -1.251 390 HZ1 LYS 58 1HZ LYS 58 2.672 -16.360 -1.161 391 HZ2 LYS 58 2HZ LYS 58 2.451 -16.154 0.503 392 HZ3 LYS 58 3HZ LYS 58 4.014 -16.253 -0.136 393 H GLU 59 H GLU 59 3.793 -8.485 2.440 394 HA GLU 59 HA GLU 59 1.724 -6.631 1.580 395 HB2 GLU 59 1HB GLU 59 3.181 -4.928 2.712 396 HB3 GLU 59 2HB GLU 59 2.602 -6.214 3.761 397 HG2 GLU 59 1HG GLU 59 5.271 -6.467 2.458 398 HG3 GLU 59 2HG GLU 59 5.081 -5.437 3.875 399 H TYR 60 H TYR 60 1.785 -5.549 -0.271 400 HA TYR 60 HA TYR 60 4.179 -5.705 -1.925 401 HB2 TYR 60 1HB TYR 60 1.399 -4.696 -2.559 402 HB3 TYR 60 2HB TYR 60 2.716 -4.828 -3.719 403 HD1 TYR 60 2HD TYR 60 3.803 -7.495 -2.666 404 HD2 TYR 60 1HD TYR 60 -0.127 -6.179 -3.629 405 HE1 TYR 60 2HE TYR 60 3.149 -9.816 -3.146 406 HE2 TYR 60 1HE TYR 60 -0.792 -8.497 -4.112 407 HH TYR 60 HH TYR 60 0.471 -10.661 -4.836 408 H THR 61 H THR 61 5.646 -4.189 -1.448 409 HA THR 61 HA THR 61 6.562 -2.165 -0.870 410 HB THR 61 HB THR 61 4.582 -1.099 -2.887 411 HG1 THR 61 1HG THR 61 7.148 -2.208 -3.428 412 HG21 THR 61 1HG2 THR 61 5.677 0.801 -2.403 413 HG22 THR 61 2HG2 THR 61 7.019 0.097 -3.305 414 HG23 THR 61 3HG2 THR 61 6.961 -0.053 -1.549 415 H SER 62 H SER 62 4.229 -2.956 0.730 416 HA SER 62 HA SER 62 2.439 -0.891 1.213 417 HB2 SER 62 1HB SER 62 2.041 -1.910 3.366 418 HB3 SER 62 2HB SER 62 2.326 -3.196 2.193 419 HG SER 62 HG SER 62 4.650 -2.862 3.015 420 H TRP 63 H TRP 63 2.526 0.067 3.679 421 HA TRP 63 HA TRP 63 4.426 2.159 3.528 422 HB2 TRP 63 1HB TRP 63 3.579 2.548 5.971 423 HB3 TRP 63 2HB TRP 63 2.478 2.791 4.618 424 HD1 TRP 63 HD TRP 63 3.400 -0.191 6.947 425 HE1 TRP 63 1HE TRP 63 1.218 -1.419 7.545 426 HE3 TRP 63 3HE TRP 63 0.107 2.644 4.252 427 HZ2 TRP 63 2HZ TRP 63 -1.534 -1.213 6.953 428 HZ3 TRP 63 3HZ TRP 63 -2.283 2.061 4.322 429 HH2 TRP 63 HH TRP 63 -3.084 0.172 5.645 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -21.848 -0.361 -1.998 2 HA2 GLY 1 1HA GLY 1 -20.639 0.529 -3.865 3 HA3 GLY 1 2HA GLY 1 -19.591 -0.695 -3.163 4 H SER 2 H SER 2 -20.183 0.383 -5.988 5 HA SER 2 HA SER 2 -20.190 -2.263 -7.251 6 HB2 SER 2 1HB SER 2 -21.622 -1.336 -9.097 7 HB3 SER 2 2HB SER 2 -22.455 -1.500 -7.551 8 HG SER 2 HG SER 2 -21.451 0.884 -7.491 9 H SER 3 H SER 3 -19.135 -2.348 -9.294 10 HA SER 3 HA SER 3 -16.887 -0.591 -9.470 11 HB2 SER 3 1HB SER 3 -17.814 -2.719 -11.415 12 HB3 SER 3 2HB SER 3 -16.221 -1.963 -11.386 13 HG SER 3 HG SER 3 -15.844 -2.912 -9.387 14 H GLY 4 H GLY 4 -17.029 1.398 -10.267 15 HA2 GLY 4 1HA GLY 4 -18.093 1.823 -12.913 16 HA3 GLY 4 2HA GLY 4 -19.044 2.585 -11.647 17 H SER 5 H SER 5 -15.667 2.303 -12.744 18 HA SER 5 HA SER 5 -15.384 5.183 -12.627 19 HB2 SER 5 1HB SER 5 -14.853 4.235 -10.301 20 HB3 SER 5 2HB SER 5 -13.421 3.526 -11.047 21 HG SER 5 HG SER 5 -12.990 5.759 -11.790 22 H SER 6 H SER 6 -14.588 5.575 -14.580 23 HA SER 6 HA SER 6 -13.379 3.883 -16.335 24 HB2 SER 6 1HB SER 6 -13.006 6.851 -15.950 25 HB3 SER 6 2HB SER 6 -12.249 5.980 -17.284 26 HG SER 6 HG SER 6 -14.220 5.518 -18.115 27 H GLY 7 H GLY 7 -11.279 3.301 -16.895 28 HA2 GLY 7 1HA GLY 7 -9.019 2.930 -16.610 29 HA3 GLY 7 2HA GLY 7 -8.998 4.240 -15.438 30 H VAL 8 H VAL 8 -7.441 2.628 -14.457 31 HA VAL 8 HA VAL 8 -8.935 0.769 -12.723 32 HB VAL 8 HB VAL 8 -6.918 -0.635 -12.607 33 HG11 VAL 8 1HG1 VAL 8 -8.455 -1.440 -14.153 34 HG12 VAL 8 2HG1 VAL 8 -8.189 -0.096 -15.266 35 HG13 VAL 8 3HG1 VAL 8 -6.962 -1.351 -15.086 36 HG21 VAL 8 1HG2 VAL 8 -5.547 0.329 -14.927 37 HG22 VAL 8 2HG2 VAL 8 -5.671 1.623 -13.735 38 HG23 VAL 8 3HG2 VAL 8 -4.931 0.085 -13.292 39 H PHE 9 H PHE 9 -8.528 3.470 -12.073 40 HA PHE 9 HA PHE 9 -6.425 3.356 -10.020 41 HB2 PHE 9 1HB PHE 9 -7.653 5.595 -11.576 42 HB3 PHE 9 2HB PHE 9 -7.011 5.930 -9.971 43 HD1 PHE 9 1HD PHE 9 -6.099 4.497 -13.270 44 HD2 PHE 9 2HD PHE 9 -4.735 6.292 -9.660 45 HE1 PHE 9 1HE PHE 9 -3.837 4.680 -14.220 46 HE2 PHE 9 2HE PHE 9 -2.471 6.479 -10.605 47 HZ PHE 9 HZ PHE 9 -2.020 5.673 -12.888 48 H HIS 10 H HIS 10 -6.981 3.238 -7.947 49 HA HIS 10 HA HIS 10 -9.584 4.239 -7.076 50 HB2 HIS 10 1HB HIS 10 -8.685 1.393 -6.976 51 HB3 HIS 10 2HB HIS 10 -9.642 2.016 -5.635 52 HD1 HIS 10 1HD HIS 10 -11.843 3.525 -6.807 53 HD2 HIS 10 2HD HIS 10 -10.337 0.143 -8.692 54 HE1 HIS 10 1HE HIS 10 -13.681 2.727 -8.327 55 HA PRO 11 HA PRO 11 -7.333 5.679 -3.593 56 HB2 PRO 11 1HB PRO 11 -9.285 5.703 -1.706 57 HB3 PRO 11 2HB PRO 11 -9.215 6.871 -3.031 58 HG2 PRO 11 1HG PRO 11 -10.871 4.390 -2.779 59 HG3 PRO 11 2HG PRO 11 -11.340 5.992 -3.378 60 HD2 PRO 11 1HD PRO 11 -10.750 3.933 -5.034 61 HD3 PRO 11 2HD PRO 11 -10.414 5.625 -5.456 62 H VAL 12 H VAL 12 -7.158 5.166 -1.107 63 HA VAL 12 HA VAL 12 -6.357 2.396 -0.927 64 HB VAL 12 HB VAL 12 -6.142 4.674 1.043 65 HG11 VAL 12 1HG1 VAL 12 -4.668 3.187 2.337 66 HG12 VAL 12 2HG1 VAL 12 -6.325 2.585 2.261 67 HG13 VAL 12 3HG1 VAL 12 -5.074 1.860 1.249 68 HG21 VAL 12 1HG2 VAL 12 -4.255 3.390 -0.901 69 HG22 VAL 12 2HG2 VAL 12 -4.634 5.099 -0.684 70 HG23 VAL 12 3HG2 VAL 12 -3.657 4.254 0.516 71 H GLU 13 H GLU 13 -8.315 1.258 -0.930 72 HA GLU 13 HA GLU 13 -9.833 1.473 1.584 73 HB2 GLU 13 1HB GLU 13 -10.831 1.252 -1.229 74 HB3 GLU 13 2HB GLU 13 -11.767 0.535 0.074 75 HG2 GLU 13 1HG GLU 13 -12.156 2.604 1.090 76 HG3 GLU 13 2HG GLU 13 -10.875 3.393 0.173 77 H CYS 14 H CYS 14 -9.664 -0.307 2.756 78 HA CYS 14 HA CYS 14 -8.458 -2.680 1.818 79 HB2 CYS 14 1HB CYS 14 -8.774 -1.689 4.256 80 HB3 CYS 14 2HB CYS 14 -10.198 -2.725 4.243 81 H SER 15 H SER 15 -9.676 -4.865 2.412 82 HA SER 15 HA SER 15 -12.035 -4.893 0.688 83 HB2 SER 15 1HB SER 15 -10.210 -6.459 0.162 84 HB3 SER 15 2HB SER 15 -10.374 -7.188 1.760 85 HG SER 15 HG SER 15 -12.530 -7.755 1.160 86 H TYR 16 H TYR 16 -10.998 -5.859 3.925 87 HA TYR 16 HA TYR 16 -13.723 -6.652 4.608 88 HB2 TYR 16 1HB TYR 16 -11.855 -8.103 5.310 89 HB3 TYR 16 2HB TYR 16 -11.188 -6.778 6.257 90 HD1 TYR 16 2HD TYR 16 -12.806 -5.766 8.060 91 HD2 TYR 16 1HD TYR 16 -13.251 -9.634 6.345 92 HE1 TYR 16 2HE TYR 16 -14.160 -6.460 9.992 93 HE2 TYR 16 1HE TYR 16 -14.608 -10.339 8.272 94 HH TYR 16 HH TYR 16 -14.703 -8.753 11.130 95 H CYS 17 H CYS 17 -11.241 -4.802 6.373 96 HA CYS 17 HA CYS 17 -13.131 -3.341 7.883 97 HB2 CYS 17 1HB CYS 17 -11.292 -2.174 8.797 98 HB3 CYS 17 2HB CYS 17 -10.680 -3.787 8.446 99 H HIS 18 H HIS 18 -12.020 -2.991 4.692 100 HA HIS 18 HA HIS 18 -12.119 -1.299 3.146 101 HB2 HIS 18 1HB HIS 18 -14.535 -2.083 3.632 102 HB3 HIS 18 2HB HIS 18 -14.709 -0.547 4.477 103 HD1 HIS 18 1HD HIS 18 -15.943 0.998 3.005 104 HD2 HIS 18 2HD HIS 18 -13.216 -1.303 0.877 105 HE1 HIS 18 1HE HIS 18 -16.090 1.808 0.629 106 H SER 19 H SER 19 -10.458 -0.456 5.072 107 HA SER 19 HA SER 19 -11.129 1.878 6.456 108 HB2 SER 19 1HB SER 19 -8.528 0.749 5.457 109 HB3 SER 19 2HB SER 19 -8.576 2.328 6.240 110 HG SER 19 HG SER 19 -8.188 0.722 7.774 111 H GLU 20 H GLU 20 -9.732 3.986 5.904 112 HA GLU 20 HA GLU 20 -10.256 4.673 3.089 113 HB2 GLU 20 1HB GLU 20 -11.043 6.867 3.770 114 HB3 GLU 20 2HB GLU 20 -12.005 5.618 4.547 115 HG2 GLU 20 1HG GLU 20 -9.681 6.920 5.922 116 HG3 GLU 20 2HG GLU 20 -11.303 7.608 5.960 117 H SER 21 H SER 21 -8.376 5.289 5.999 118 HA SER 21 HA SER 21 -6.690 7.293 5.188 119 HB2 SER 21 1HB SER 21 -6.407 4.978 7.037 120 HB3 SER 21 2HB SER 21 -4.933 5.833 6.584 121 HG SER 21 HG SER 21 -6.216 6.591 8.500 122 H MET 22 H MET 22 -5.332 7.531 3.549 123 HA MET 22 HA MET 22 -4.373 5.129 2.156 124 HB2 MET 22 1HB MET 22 -3.906 6.706 0.268 125 HB3 MET 22 2HB MET 22 -5.606 6.575 0.698 126 HG2 MET 22 1HG MET 22 -5.337 8.663 2.046 127 HG3 MET 22 2HG MET 22 -3.720 8.817 1.364 128 HE1 MET 22 1HE MET 22 -4.283 7.698 -1.658 129 HE2 MET 22 2HE MET 22 -4.473 9.265 -2.445 130 HE3 MET 22 3HE MET 22 -3.236 9.044 -1.207 131 H MET 23 H MET 23 -2.474 4.546 3.046 132 HA MET 23 HA MET 23 -0.366 6.598 3.172 133 HB2 MET 23 1HB MET 23 -0.959 4.383 5.130 134 HB3 MET 23 2HB MET 23 0.594 5.207 5.077 135 HG2 MET 23 1HG MET 23 -0.490 7.324 5.559 136 HG3 MET 23 2HG MET 23 -2.064 6.533 5.557 137 HE1 MET 23 1HE MET 23 0.217 8.061 8.195 138 HE2 MET 23 2HE MET 23 -1.439 8.325 7.651 139 HE3 MET 23 3HE MET 23 -1.134 7.643 9.249 140 H GLY 24 H GLY 24 -1.020 3.107 2.952 141 HA2 GLY 24 1HA GLY 24 0.090 2.255 0.772 142 HA3 GLY 24 2HA GLY 24 1.562 2.761 1.588 143 H PHE 25 H PHE 25 -1.358 0.866 2.373 144 HA PHE 25 HA PHE 25 0.422 -1.199 3.487 145 HB2 PHE 25 1HB PHE 25 -2.335 -0.565 4.541 146 HB3 PHE 25 2HB PHE 25 -1.125 -1.621 5.262 147 HD1 PHE 25 1HD PHE 25 1.210 -0.360 5.694 148 HD2 PHE 25 2HD PHE 25 -2.622 1.485 5.510 149 HE1 PHE 25 1HE PHE 25 2.056 1.523 7.033 150 HE2 PHE 25 2HE PHE 25 -1.781 3.371 6.847 151 HZ PHE 25 HZ PHE 25 0.560 3.393 7.609 152 H ARG 26 H ARG 26 0.381 -2.821 2.066 153 HA ARG 26 HA ARG 26 -2.235 -3.882 1.268 154 HB2 ARG 26 1HB ARG 26 0.110 -3.521 -0.607 155 HB3 ARG 26 2HB ARG 26 -1.419 -4.291 -1.008 156 HG2 ARG 26 1HG ARG 26 -1.247 -1.439 -0.084 157 HG3 ARG 26 2HG ARG 26 -1.105 -1.904 -1.781 158 HD2 ARG 26 1HD ARG 26 -3.300 -2.587 -1.917 159 HD3 ARG 26 2HD ARG 26 -3.418 -2.902 -0.186 160 HE ARG 26 HE ARG 26 -3.953 -0.685 0.163 161 HH11 ARG 26 2HH1 ARG 26 -2.946 -1.174 -3.133 162 HH12 ARG 26 1HH1 ARG 26 -3.476 0.387 -3.664 163 HH21 ARG 26 2HH2 ARG 26 -4.655 1.374 -0.524 164 HH22 ARG 26 1HH2 ARG 26 -4.448 1.836 -2.179 165 H TYR 27 H TYR 27 -2.286 -5.795 2.260 166 HA TYR 27 HA TYR 27 0.074 -7.542 2.015 167 HB2 TYR 27 1HB TYR 27 -1.884 -7.382 4.315 168 HB3 TYR 27 2HB TYR 27 -0.587 -8.563 4.173 169 HD1 TYR 27 1HD TYR 27 1.799 -7.753 4.191 170 HD2 TYR 27 2HD TYR 27 -1.477 -5.223 5.176 171 HE1 TYR 27 1HE TYR 27 3.345 -6.194 5.300 172 HE2 TYR 27 2HE TYR 27 0.060 -3.656 6.287 173 HH TYR 27 HH TYR 27 3.131 -3.448 5.820 174 H ARG 28 H ARG 28 -0.370 -9.056 0.558 175 HA ARG 28 HA ARG 28 -3.103 -10.113 0.382 176 HB2 ARG 28 1HB ARG 28 -2.002 -9.190 -1.678 177 HB3 ARG 28 2HB ARG 28 -0.830 -10.496 -1.570 178 HG2 ARG 28 1HG ARG 28 -2.671 -12.125 -1.778 179 HG3 ARG 28 2HG ARG 28 -3.799 -10.782 -1.978 180 HD2 ARG 28 1HD ARG 28 -2.313 -10.049 -3.918 181 HD3 ARG 28 2HD ARG 28 -1.572 -11.645 -3.801 182 HE ARG 28 HE ARG 28 -4.461 -11.609 -4.042 183 HH11 ARG 28 2HH1 ARG 28 -1.388 -11.861 -5.659 184 HH12 ARG 28 1HH1 ARG 28 -2.043 -12.637 -7.063 185 HH21 ARG 28 2HH2 ARG 28 -5.335 -12.630 -5.885 186 HH22 ARG 28 1HH2 ARG 28 -4.289 -13.073 -7.191 187 H CYS 29 H CYS 29 -3.562 -12.103 1.062 188 HA CYS 29 HA CYS 29 -1.874 -13.665 2.573 189 HB2 CYS 29 1HB CYS 29 -4.210 -14.076 2.706 190 HB3 CYS 29 2HB CYS 29 -4.327 -14.397 0.979 191 H GLN 30 H GLN 30 -0.993 -15.820 2.148 192 HA GLN 30 HA GLN 30 0.707 -15.812 -0.120 193 HB2 GLN 30 1HB GLN 30 0.111 -17.849 2.014 194 HB3 GLN 30 2HB GLN 30 1.202 -18.206 0.681 195 HG2 GLN 30 1HG GLN 30 2.299 -15.925 1.463 196 HG3 GLN 30 2HG GLN 30 1.555 -16.390 2.993 197 HE21 GLN 30 1HE2 GLN 30 4.322 -16.528 1.302 198 HE22 GLN 30 2HE2 GLN 30 5.022 -17.958 1.971 199 H GLN 31 H GLN 31 -1.504 -18.449 0.784 200 HA GLN 31 HA GLN 31 -2.054 -18.840 -2.079 201 HB2 GLN 31 1HB GLN 31 -0.990 -20.676 -0.549 202 HB3 GLN 31 2HB GLN 31 -2.641 -20.907 0.010 203 HG2 GLN 31 1HG GLN 31 -2.124 -20.886 -2.916 204 HG3 GLN 31 2HG GLN 31 -1.654 -22.305 -1.981 205 HE21 GLN 31 1HE2 GLN 31 -3.173 -23.615 -2.966 206 HE22 GLN 31 2HE2 GLN 31 -4.865 -23.478 -2.647 207 H CYS 32 H CYS 32 -3.875 -17.785 -2.583 208 HA CYS 32 HA CYS 32 -6.375 -18.677 -1.652 209 HB2 CYS 32 1HB CYS 32 -5.205 -16.322 -0.280 210 HB3 CYS 32 2HB CYS 32 -6.894 -16.188 -0.760 211 H HIS 33 H HIS 33 -8.144 -17.679 -2.747 212 HA HIS 33 HA HIS 33 -7.526 -16.822 -5.365 213 HB2 HIS 33 1HB HIS 33 -10.032 -17.101 -3.763 214 HB3 HIS 33 2HB HIS 33 -10.093 -16.188 -5.267 215 HD1 HIS 33 1HD HIS 33 -11.482 -19.005 -4.694 216 HD2 HIS 33 2HD HIS 33 -7.983 -18.357 -6.839 217 HE1 HIS 33 1HE HIS 33 -11.247 -20.994 -6.214 218 H ASN 34 H ASN 34 -9.513 -15.006 -3.034 219 HA ASN 34 HA ASN 34 -8.039 -12.571 -3.764 220 HB2 ASN 34 1HB ASN 34 -10.402 -11.447 -3.565 221 HB3 ASN 34 2HB ASN 34 -9.915 -12.214 -5.073 222 HD21 ASN 34 1HD2 ASN 34 -11.522 -13.281 -5.947 223 HD22 ASN 34 2HD2 ASN 34 -12.709 -14.213 -5.107 224 H TYR 35 H TYR 35 -6.978 -12.760 -1.743 225 HA TYR 35 HA TYR 35 -8.647 -11.892 0.515 226 HB2 TYR 35 1HB TYR 35 -7.883 -14.385 0.538 227 HB3 TYR 35 2HB TYR 35 -6.310 -13.721 0.964 228 HD1 TYR 35 2HD TYR 35 -9.807 -14.094 2.063 229 HD2 TYR 35 1HD TYR 35 -5.891 -12.831 3.146 230 HE1 TYR 35 2HE TYR 35 -10.505 -13.971 4.418 231 HE2 TYR 35 1HE TYR 35 -6.578 -12.706 5.505 232 HH TYR 35 HH TYR 35 -9.917 -13.114 6.470 233 H GLN 36 H GLN 36 -8.019 -9.812 0.646 234 HA GLN 36 HA GLN 36 -5.145 -9.305 1.030 235 HB2 GLN 36 1HB GLN 36 -7.142 -7.682 -0.540 236 HB3 GLN 36 2HB GLN 36 -5.612 -7.016 0.016 237 HG2 GLN 36 1HG GLN 36 -4.980 -7.664 -2.056 238 HG3 GLN 36 2HG GLN 36 -4.661 -9.169 -1.195 239 HE21 GLN 36 1HE2 GLN 36 -5.075 -9.088 -3.925 240 HE22 GLN 36 2HE2 GLN 36 -6.562 -9.884 -4.296 241 H LEU 37 H LEU 37 -4.588 -7.999 2.708 242 HA LEU 37 HA LEU 37 -6.706 -6.598 4.165 243 HB2 LEU 37 1HB LEU 37 -4.739 -8.508 5.418 244 HB3 LEU 37 2HB LEU 37 -5.835 -7.453 6.307 245 HG LEU 37 HG LEU 37 -6.658 -9.721 4.494 246 HD11 LEU 37 1HD1 LEU 37 -5.752 -10.705 6.417 247 HD12 LEU 37 2HD1 LEU 37 -7.488 -10.646 6.718 248 HD13 LEU 37 3HD1 LEU 37 -6.422 -9.464 7.476 249 HD21 LEU 37 1HD2 LEU 37 -8.896 -9.300 5.228 250 HD22 LEU 37 2HD2 LEU 37 -8.237 -7.794 4.589 251 HD23 LEU 37 3HD2 LEU 37 -8.351 -8.038 6.333 252 H CYS 38 H CYS 38 -5.828 -5.078 5.796 253 HA CYS 38 HA CYS 38 -3.356 -3.868 4.783 254 HB2 CYS 38 1HB CYS 38 -4.119 -1.812 5.864 255 HB3 CYS 38 2HB CYS 38 -5.366 -2.447 4.795 256 H GLN 39 H GLN 39 -2.125 -2.603 6.554 257 HA GLN 39 HA GLN 39 -0.803 -4.301 8.213 258 HB2 GLN 39 1HB GLN 39 -0.075 -2.002 7.752 259 HB3 GLN 39 2HB GLN 39 -1.374 -1.384 8.764 260 HG2 GLN 39 1HG GLN 39 0.537 -3.307 9.968 261 HG3 GLN 39 2HG GLN 39 1.088 -1.661 9.662 262 HE21 GLN 39 1HE2 GLN 39 0.254 0.019 10.849 263 HE22 GLN 39 2HE2 GLN 39 -0.725 -0.216 12.252 264 H ASP 40 H ASP 40 -3.537 -2.235 9.180 265 HA ASP 40 HA ASP 40 -3.713 -3.102 11.831 266 HB2 ASP 40 1HB ASP 40 -4.885 -1.115 10.974 267 HB3 ASP 40 2HB ASP 40 -5.946 -2.151 10.023 268 H CYS 41 H CYS 41 -5.880 -4.065 9.162 269 HA CYS 41 HA CYS 41 -7.329 -6.027 10.265 270 HB2 CYS 41 1HB CYS 41 -6.086 -5.794 7.558 271 HB3 CYS 41 2HB CYS 41 -6.905 -7.295 7.980 272 H PHE 42 H PHE 42 -4.084 -6.598 8.903 273 HA PHE 42 HA PHE 42 -3.867 -9.281 9.641 274 HB2 PHE 42 1HB PHE 42 -2.346 -7.955 8.088 275 HB3 PHE 42 2HB PHE 42 -1.546 -7.355 9.537 276 HD1 PHE 42 2HD PHE 42 -2.790 -10.720 8.511 277 HD2 PHE 42 1HD PHE 42 0.507 -8.344 9.774 278 HE1 PHE 42 2HE PHE 42 -1.364 -12.724 8.548 279 HE2 PHE 42 1HE PHE 42 1.939 -10.344 9.812 280 HZ PHE 42 HZ PHE 42 1.003 -12.538 9.199 281 H TRP 43 H TRP 43 -2.422 -6.466 11.292 282 HA TRP 43 HA TRP 43 -1.337 -7.614 13.484 283 HB2 TRP 43 1HB TRP 43 -2.765 -5.017 13.096 284 HB3 TRP 43 2HB TRP 43 -2.294 -5.485 14.728 285 HD1 TRP 43 HD TRP 43 -0.356 -5.680 11.359 286 HE1 TRP 43 1HE TRP 43 1.942 -4.575 11.712 287 HE3 TRP 43 3HE TRP 43 -0.895 -4.227 16.231 288 HZ2 TRP 43 2HZ TRP 43 3.341 -3.262 13.782 289 HZ3 TRP 43 3HZ TRP 43 0.970 -3.052 17.324 290 HH2 TRP 43 HH TRP 43 3.044 -2.581 16.124 291 H ARG 44 H ARG 44 -4.774 -6.789 13.117 292 HA ARG 44 HA ARG 44 -5.508 -7.817 15.677 293 HB2 ARG 44 1HB ARG 44 -7.228 -7.228 13.261 294 HB3 ARG 44 2HB ARG 44 -7.820 -7.526 14.889 295 HG2 ARG 44 1HG ARG 44 -6.439 -5.523 15.603 296 HG3 ARG 44 2HG ARG 44 -6.254 -5.173 13.883 297 HD2 ARG 44 1HD ARG 44 -8.680 -5.063 13.639 298 HD3 ARG 44 2HD ARG 44 -8.876 -5.444 15.349 299 HE ARG 44 HE ARG 44 -7.291 -3.091 14.776 300 HH11 ARG 44 2HH1 ARG 44 -10.442 -4.381 15.502 301 HH12 ARG 44 1HH1 ARG 44 -11.066 -2.876 16.092 302 HH21 ARG 44 2HH2 ARG 44 -8.101 -1.104 15.550 303 HH22 ARG 44 1HH2 ARG 44 -9.734 -1.013 16.117 304 H GLY 45 H GLY 45 -5.549 -9.080 12.379 305 HA2 GLY 45 1HA GLY 45 -5.252 -11.381 11.882 306 HA3 GLY 45 2HA GLY 45 -5.836 -11.777 13.491 307 H HIS 46 H HIS 46 -6.619 -11.633 10.235 308 HA HIS 46 HA HIS 46 -9.484 -11.912 10.863 309 HB2 HIS 46 1HB HIS 46 -8.128 -10.485 8.597 310 HB3 HIS 46 2HB HIS 46 -9.752 -11.132 8.389 311 HD1 HIS 46 1HD HIS 46 -10.740 -8.753 8.163 312 HD2 HIS 46 2HD HIS 46 -8.862 -9.477 11.797 313 HE1 HIS 46 1HE HIS 46 -11.426 -6.855 9.663 314 H ALA 47 H ALA 47 -10.656 -13.461 9.683 315 HA ALA 47 HA ALA 47 -9.573 -15.060 7.630 316 HB1 ALA 47 1HB ALA 47 -9.754 -17.059 9.597 317 HB2 ALA 47 2HB ALA 47 -8.315 -16.518 8.731 318 HB3 ALA 47 3HB ALA 47 -8.745 -15.780 10.274 319 H GLY 48 H GLY 48 -10.871 -17.364 7.749 320 HA2 GLY 48 1HA GLY 48 -13.441 -17.372 8.887 321 HA3 GLY 48 2HA GLY 48 -13.553 -16.688 7.272 322 H GLY 49 H GLY 49 -15.005 -18.796 7.432 323 HA2 GLY 49 1HA GLY 49 -14.133 -21.354 7.386 324 HA3 GLY 49 2HA GLY 49 -15.356 -20.766 6.269 325 H SER 50 H SER 50 -13.455 -18.937 4.953 326 HA SER 50 HA SER 50 -12.280 -20.911 3.163 327 HB2 SER 50 1HB SER 50 -12.681 -17.924 2.945 328 HB3 SER 50 2HB SER 50 -11.815 -18.868 1.733 329 HG SER 50 HG SER 50 -13.677 -19.992 1.294 330 H HIS 51 H HIS 51 -11.074 -17.733 4.214 331 HA HIS 51 HA HIS 51 -8.355 -18.537 3.990 332 HB2 HIS 51 1HB HIS 51 -9.017 -16.209 3.665 333 HB3 HIS 51 2HB HIS 51 -9.579 -16.116 5.331 334 HD2 HIS 51 2HD HIS 51 -7.670 -15.396 7.146 335 HE1 HIS 51 1HE HIS 51 -4.322 -15.687 4.557 336 HE2 HIS 51 2HE HIS 51 -5.119 -15.074 6.866 337 H SER 52 H SER 52 -6.818 -18.882 5.608 338 HA SER 52 HA SER 52 -7.957 -19.695 8.199 339 HB2 SER 52 1HB SER 52 -6.819 -21.423 6.658 340 HB3 SER 52 2HB SER 52 -5.308 -20.642 7.122 341 HG SER 52 HG SER 52 -5.483 -22.082 8.685 342 H ASN 53 H ASN 53 -7.082 -18.959 10.082 343 HA ASN 53 HA ASN 53 -5.798 -16.495 10.139 344 HB2 ASN 53 1HB ASN 53 -6.995 -17.155 12.076 345 HB3 ASN 53 2HB ASN 53 -6.085 -18.656 12.222 346 HD21 ASN 53 1HD2 ASN 53 -5.379 -15.182 11.994 347 HD22 ASN 53 2HD2 ASN 53 -4.249 -15.156 13.301 348 H GLN 54 H GLN 54 -4.492 -19.682 9.840 349 HA GLN 54 HA GLN 54 -1.832 -19.038 10.668 350 HB2 GLN 54 1HB GLN 54 -2.912 -21.347 9.045 351 HB3 GLN 54 2HB GLN 54 -1.253 -21.225 9.614 352 HG2 GLN 54 1HG GLN 54 -3.750 -21.511 11.256 353 HG3 GLN 54 2HG GLN 54 -2.407 -22.643 11.112 354 HE21 GLN 54 1HE2 GLN 54 -0.616 -22.372 12.351 355 HE22 GLN 54 2HE2 GLN 54 -0.467 -21.160 13.574 356 H HIS 55 H HIS 55 -3.570 -19.049 7.621 357 HA HIS 55 HA HIS 55 -1.556 -18.960 5.768 358 HB2 HIS 55 1HB HIS 55 -4.220 -17.578 5.894 359 HB3 HIS 55 2HB HIS 55 -3.137 -17.301 4.533 360 HD2 HIS 55 2HD HIS 55 -3.020 -20.932 5.702 361 HE1 HIS 55 1HE HIS 55 -5.708 -20.778 2.423 362 HE2 HIS 55 2HE HIS 55 -4.468 -22.271 4.029 363 H GLN 56 H GLN 56 0.175 -17.724 5.524 364 HA GLN 56 HA GLN 56 0.446 -15.265 7.008 365 HB2 GLN 56 1HB GLN 56 2.260 -16.958 5.339 366 HB3 GLN 56 2HB GLN 56 2.716 -15.293 5.674 367 HG2 GLN 56 1HG GLN 56 2.970 -15.671 7.931 368 HG3 GLN 56 2HG GLN 56 1.911 -17.081 7.919 369 HE21 GLN 56 1HE2 GLN 56 5.112 -15.915 7.545 370 HE22 GLN 56 2HE2 GLN 56 5.882 -17.444 7.315 371 H MET 57 H MET 57 0.869 -13.211 6.121 372 HA MET 57 HA MET 57 -0.248 -12.850 3.427 373 HB2 MET 57 1HB MET 57 0.093 -10.738 5.556 374 HB3 MET 57 2HB MET 57 -0.851 -10.622 4.078 375 HG2 MET 57 1HG MET 57 -1.457 -12.564 6.290 376 HG3 MET 57 2HG MET 57 -2.172 -10.958 6.171 377 HE1 MET 57 1HE MET 57 -4.361 -10.524 4.998 378 HE2 MET 57 2HE MET 57 -3.239 -10.210 3.674 379 HE3 MET 57 3HE MET 57 -4.698 -11.160 3.388 380 H LYS 58 H LYS 58 0.780 -11.528 1.918 381 HA LYS 58 HA LYS 58 3.601 -10.922 2.520 382 HB2 LYS 58 1HB LYS 58 2.360 -11.748 -0.110 383 HB3 LYS 58 2HB LYS 58 4.041 -11.276 0.104 384 HG2 LYS 58 1HG LYS 58 2.826 -13.555 1.630 385 HG3 LYS 58 2HG LYS 58 3.523 -13.763 0.021 386 HD2 LYS 58 1HD LYS 58 5.063 -12.460 2.246 387 HD3 LYS 58 2HD LYS 58 5.027 -14.214 2.051 388 HE2 LYS 58 1HE LYS 58 6.099 -14.118 -0.027 389 HE3 LYS 58 2HE LYS 58 5.746 -12.403 -0.230 390 HZ1 LYS 58 1HZ LYS 58 8.075 -12.818 0.332 391 HZ2 LYS 58 2HZ LYS 58 7.605 -13.529 1.793 392 HZ3 LYS 58 3HZ LYS 58 7.305 -11.888 1.517 393 H GLU 59 H GLU 59 4.499 -9.024 1.644 394 HA GLU 59 HA GLU 59 2.636 -6.848 1.430 395 HB2 GLU 59 1HB GLU 59 4.700 -5.463 1.157 396 HB3 GLU 59 2HB GLU 59 4.681 -6.446 2.614 397 HG2 GLU 59 1HG GLU 59 6.171 -8.048 1.611 398 HG3 GLU 59 2HG GLU 59 6.114 -7.186 0.074 399 H TYR 60 H TYR 60 1.759 -6.074 -0.366 400 HA TYR 60 HA TYR 60 3.057 -6.689 -2.940 401 HB2 TYR 60 1HB TYR 60 0.213 -6.866 -2.079 402 HB3 TYR 60 2HB TYR 60 0.531 -6.335 -3.726 403 HD1 TYR 60 1HD TYR 60 1.761 -9.002 -1.403 404 HD2 TYR 60 2HD TYR 60 0.478 -7.983 -5.329 405 HE1 TYR 60 1HE TYR 60 2.041 -11.345 -2.096 406 HE2 TYR 60 2HE TYR 60 0.753 -10.323 -6.033 407 HH TYR 60 HH TYR 60 0.813 -12.555 -5.024 408 H THR 61 H THR 61 2.236 -5.154 -4.715 409 HA THR 61 HA THR 61 2.852 -2.477 -3.870 410 HB THR 61 HB THR 61 2.002 -3.430 -6.611 411 HG1 THR 61 1HG THR 61 3.897 -4.375 -6.560 412 HG21 THR 61 1HG2 THR 61 1.934 -0.930 -6.006 413 HG22 THR 61 2HG2 THR 61 2.819 -1.404 -7.456 414 HG23 THR 61 3HG2 THR 61 3.694 -1.032 -5.971 415 H SER 62 H SER 62 0.085 -3.888 -5.632 416 HA SER 62 HA SER 62 -1.655 -1.930 -4.301 417 HB2 SER 62 1HB SER 62 -1.838 -2.640 -7.238 418 HB3 SER 62 2HB SER 62 -2.841 -1.478 -6.370 419 HG SER 62 HG SER 62 -1.058 -0.163 -6.111 420 H TRP 63 H TRP 63 -3.735 -2.622 -3.858 421 HA TRP 63 HA TRP 63 -4.278 -5.102 -3.053 422 HB2 TRP 63 1HB TRP 63 -6.201 -3.237 -4.452 423 HB3 TRP 63 2HB TRP 63 -6.705 -4.684 -3.582 424 HD1 TRP 63 HD TRP 63 -6.764 -1.212 -3.004 425 HE1 TRP 63 1HE TRP 63 -6.515 -0.589 -0.519 426 HE3 TRP 63 3HE TRP 63 -4.908 -5.637 -1.241 427 HZ2 TRP 63 2HZ TRP 63 -5.646 -1.813 1.872 428 HZ3 TRP 63 3HZ TRP 63 -4.394 -5.828 1.157 429 HH2 TRP 63 HH TRP 63 -4.755 -3.954 2.680 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.387 31.601 -2.167 2 HA2 GLY 1 1HA GLY 1 -8.237 30.258 -3.990 3 HA3 GLY 1 2HA GLY 1 -7.461 31.372 -5.106 4 H SER 2 H SER 2 -6.343 29.546 -2.255 5 HA SER 2 HA SER 2 -3.953 28.783 -3.751 6 HB2 SER 2 1HB SER 2 -4.658 28.520 -0.820 7 HB3 SER 2 2HB SER 2 -3.141 27.967 -1.528 8 HG SER 2 HG SER 2 -2.460 29.962 -1.627 9 H SER 3 H SER 3 -3.508 26.754 -4.397 10 HA SER 3 HA SER 3 -5.431 24.644 -3.661 11 HB2 SER 3 1HB SER 3 -5.712 25.310 -6.002 12 HB3 SER 3 2HB SER 3 -3.999 25.024 -6.303 13 HG SER 3 HG SER 3 -4.469 22.801 -5.585 14 H GLY 4 H GLY 4 -4.571 23.013 -2.568 15 HA2 GLY 4 1HA GLY 4 -2.098 22.683 -1.617 16 HA3 GLY 4 2HA GLY 4 -3.074 21.298 -2.082 17 H SER 5 H SER 5 -3.082 21.610 -4.851 18 HA SER 5 HA SER 5 -1.869 21.146 -6.721 19 HB2 SER 5 1HB SER 5 -0.647 23.286 -5.896 20 HB3 SER 5 2HB SER 5 0.621 22.173 -5.382 21 HG SER 5 HG SER 5 0.135 23.118 -7.825 22 H SER 6 H SER 6 -2.260 19.117 -4.876 23 HA SER 6 HA SER 6 0.162 17.509 -5.303 24 HB2 SER 6 1HB SER 6 -1.462 17.672 -2.756 25 HB3 SER 6 2HB SER 6 -0.270 16.414 -3.079 26 HG SER 6 HG SER 6 0.373 19.162 -3.231 27 H GLY 7 H GLY 7 -0.734 16.414 -7.029 28 HA2 GLY 7 1HA GLY 7 -3.179 14.861 -6.456 29 HA3 GLY 7 2HA GLY 7 -2.662 15.344 -8.065 30 H VAL 8 H VAL 8 -1.387 13.526 -5.273 31 HA VAL 8 HA VAL 8 0.155 11.819 -7.034 32 HB VAL 8 HB VAL 8 0.926 10.721 -4.978 33 HG11 VAL 8 1HG1 VAL 8 1.118 13.638 -5.405 34 HG12 VAL 8 2HG1 VAL 8 1.695 13.029 -3.852 35 HG13 VAL 8 3HG1 VAL 8 2.384 12.411 -5.354 36 HG21 VAL 8 1HG2 VAL 8 0.193 12.028 -2.818 37 HG22 VAL 8 2HG2 VAL 8 -1.251 12.361 -3.774 38 HG23 VAL 8 3HG2 VAL 8 -0.779 10.695 -3.442 39 H PHE 9 H PHE 9 -0.196 9.663 -7.430 40 HA PHE 9 HA PHE 9 -2.919 8.731 -6.948 41 HB2 PHE 9 1HB PHE 9 -1.987 8.643 -9.244 42 HB3 PHE 9 2HB PHE 9 -0.747 7.528 -8.678 43 HD1 PHE 9 1HD PHE 9 -4.465 7.856 -8.547 44 HD2 PHE 9 2HD PHE 9 -1.100 5.309 -9.104 45 HE1 PHE 9 1HE PHE 9 -5.974 5.963 -8.985 46 HE2 PHE 9 2HE PHE 9 -2.604 3.413 -9.545 47 HZ PHE 9 HZ PHE 9 -5.044 3.738 -9.486 48 H HIS 10 H HIS 10 -2.713 8.218 -4.728 49 HA HIS 10 HA HIS 10 -1.128 5.788 -4.208 50 HB2 HIS 10 1HB HIS 10 -0.354 7.871 -3.003 51 HB3 HIS 10 2HB HIS 10 -1.890 7.855 -2.141 52 HD1 HIS 10 1HD HIS 10 -1.402 7.075 0.152 53 HD2 HIS 10 2HD HIS 10 0.667 4.874 -2.701 54 HE1 HIS 10 1HE HIS 10 -0.199 5.276 1.433 55 HA PRO 11 HA PRO 11 -5.670 4.894 -3.648 56 HB2 PRO 11 1HB PRO 11 -5.658 2.617 -5.126 57 HB3 PRO 11 2HB PRO 11 -5.914 4.217 -5.830 58 HG2 PRO 11 1HG PRO 11 -3.418 2.567 -5.735 59 HG3 PRO 11 2HG PRO 11 -4.083 3.513 -7.080 60 HD2 PRO 11 1HD PRO 11 -2.058 4.415 -5.525 61 HD3 PRO 11 2HD PRO 11 -3.259 5.501 -6.254 62 H VAL 12 H VAL 12 -5.530 4.327 -1.508 63 HA VAL 12 HA VAL 12 -4.578 1.594 -0.950 64 HB VAL 12 HB VAL 12 -4.384 3.956 0.924 65 HG11 VAL 12 1HG1 VAL 12 -2.864 2.190 2.115 66 HG12 VAL 12 2HG1 VAL 12 -4.613 2.161 2.345 67 HG13 VAL 12 3HG1 VAL 12 -3.852 1.036 1.220 68 HG21 VAL 12 1HG2 VAL 12 -2.794 3.963 -1.022 69 HG22 VAL 12 2HG2 VAL 12 -2.031 3.930 0.568 70 HG23 VAL 12 3HG2 VAL 12 -2.130 2.455 -0.394 71 H GLU 13 H GLU 13 -6.781 0.926 -1.314 72 HA GLU 13 HA GLU 13 -8.540 1.554 0.966 73 HB2 GLU 13 1HB GLU 13 -9.324 0.959 -1.892 74 HB3 GLU 13 2HB GLU 13 -10.458 1.104 -0.557 75 HG2 GLU 13 1HG GLU 13 -9.835 3.416 -0.232 76 HG3 GLU 13 2HG GLU 13 -8.613 3.287 -1.496 77 H CYS 14 H CYS 14 -8.294 -0.155 2.281 78 HA CYS 14 HA CYS 14 -7.600 -2.740 1.643 79 HB2 CYS 14 1HB CYS 14 -8.020 -1.519 3.956 80 HB3 CYS 14 2HB CYS 14 -9.584 -2.320 3.837 81 H SER 15 H SER 15 -9.247 -4.643 2.283 82 HA SER 15 HA SER 15 -11.552 -4.331 0.472 83 HB2 SER 15 1HB SER 15 -9.576 -6.527 0.841 84 HB3 SER 15 2HB SER 15 -11.241 -6.991 0.489 85 HG SER 15 HG SER 15 -10.555 -6.669 -1.494 86 H TYR 16 H TYR 16 -10.411 -5.629 3.528 87 HA TYR 16 HA TYR 16 -13.043 -6.638 4.227 88 HB2 TYR 16 1HB TYR 16 -10.976 -7.866 4.872 89 HB3 TYR 16 2HB TYR 16 -10.531 -6.515 5.909 90 HD1 TYR 16 2HD TYR 16 -12.522 -5.804 7.584 91 HD2 TYR 16 1HD TYR 16 -11.973 -9.670 5.895 92 HE1 TYR 16 2HE TYR 16 -13.818 -6.788 9.429 93 HE2 TYR 16 1HE TYR 16 -13.268 -10.664 7.734 94 HH TYR 16 HH TYR 16 -15.034 -9.904 9.363 95 H CYS 17 H CYS 17 -10.813 -4.091 5.283 96 HA CYS 17 HA CYS 17 -13.014 -2.890 6.826 97 HB2 CYS 17 1HB CYS 17 -11.412 -1.877 8.250 98 HB3 CYS 17 2HB CYS 17 -10.870 -3.538 8.033 99 H HIS 18 H HIS 18 -11.893 -2.688 3.876 100 HA HIS 18 HA HIS 18 -11.413 -1.014 2.350 101 HB2 HIS 18 1HB HIS 18 -13.982 -0.288 3.732 102 HB3 HIS 18 2HB HIS 18 -13.363 0.698 2.410 103 HD1 HIS 18 1HD HIS 18 -13.214 -0.471 0.048 104 HD2 HIS 18 2HD HIS 18 -15.202 -2.642 2.980 105 HE1 HIS 18 1HE HIS 18 -14.476 -2.264 -1.183 106 H SER 19 H SER 19 -9.868 -0.637 4.694 107 HA SER 19 HA SER 19 -9.877 1.705 6.024 108 HB2 SER 19 1HB SER 19 -8.071 0.166 6.369 109 HB3 SER 19 2HB SER 19 -7.518 0.350 4.705 110 HG SER 19 HG SER 19 -6.222 1.611 6.004 111 H GLU 20 H GLU 20 -9.179 3.831 5.704 112 HA GLU 20 HA GLU 20 -8.986 4.653 2.880 113 HB2 GLU 20 1HB GLU 20 -10.064 6.772 3.544 114 HB3 GLU 20 2HB GLU 20 -11.098 5.379 3.827 115 HG2 GLU 20 1HG GLU 20 -10.652 5.443 6.175 116 HG3 GLU 20 2HG GLU 20 -9.432 6.696 5.956 117 H SER 21 H SER 21 -7.937 5.292 6.188 118 HA SER 21 HA SER 21 -6.214 7.432 5.680 119 HB2 SER 21 1HB SER 21 -6.982 6.460 7.940 120 HB3 SER 21 2HB SER 21 -5.640 5.329 7.761 121 HG SER 21 HG SER 21 -4.215 7.009 7.824 122 H MET 22 H MET 22 -3.867 7.455 5.636 123 HA MET 22 HA MET 22 -2.789 5.865 3.612 124 HB2 MET 22 1HB MET 22 -1.836 8.021 4.134 125 HB3 MET 22 2HB MET 22 -1.413 7.489 5.756 126 HG2 MET 22 1HG MET 22 0.309 6.115 4.984 127 HG3 MET 22 2HG MET 22 -0.293 6.143 3.328 128 HE1 MET 22 1HE MET 22 2.093 8.458 1.801 129 HE2 MET 22 2HE MET 22 1.602 6.776 1.999 130 HE3 MET 22 3HE MET 22 0.412 7.994 1.536 131 H MET 23 H MET 23 -2.109 5.735 7.114 132 HA MET 23 HA MET 23 -0.370 3.708 7.334 133 HB2 MET 23 1HB MET 23 -1.641 4.946 9.187 134 HB3 MET 23 2HB MET 23 -2.860 3.689 9.028 135 HG2 MET 23 1HG MET 23 -1.046 2.013 9.458 136 HG3 MET 23 2HG MET 23 0.013 3.367 9.845 137 HE1 MET 23 1HE MET 23 0.229 3.779 12.785 138 HE2 MET 23 2HE MET 23 -0.325 2.189 13.310 139 HE3 MET 23 3HE MET 23 0.613 2.350 11.824 140 H GLY 24 H GLY 24 -0.453 1.418 7.551 141 HA2 GLY 24 1HA GLY 24 -1.334 -0.714 7.216 142 HA3 GLY 24 2HA GLY 24 -2.854 0.018 6.725 143 H PHE 25 H PHE 25 0.121 -1.330 5.689 144 HA PHE 25 HA PHE 25 -0.053 -0.381 2.975 145 HB2 PHE 25 1HB PHE 25 1.774 -2.154 4.515 146 HB3 PHE 25 2HB PHE 25 1.712 -2.380 2.770 147 HD1 PHE 25 1HD PHE 25 1.381 0.335 1.778 148 HD2 PHE 25 2HD PHE 25 3.791 -1.129 4.967 149 HE1 PHE 25 1HE PHE 25 2.923 2.229 1.478 150 HE2 PHE 25 2HE PHE 25 5.336 0.763 4.672 151 HZ PHE 25 HZ PHE 25 4.903 2.445 2.927 152 H ARG 26 H ARG 26 0.214 -2.248 1.241 153 HA ARG 26 HA ARG 26 -2.252 -3.772 1.401 154 HB2 ARG 26 1HB ARG 26 -0.273 -3.515 -0.870 155 HB3 ARG 26 2HB ARG 26 -1.866 -4.252 -0.968 156 HG2 ARG 26 1HG ARG 26 -2.360 -2.202 -1.801 157 HG3 ARG 26 2HG ARG 26 -2.617 -1.873 -0.086 158 HD2 ARG 26 1HD ARG 26 -0.723 -0.611 0.098 159 HD3 ARG 26 2HD ARG 26 0.118 -1.493 -1.177 160 HE ARG 26 HE ARG 26 -1.839 -0.196 -2.516 161 HH11 ARG 26 2HH1 ARG 26 0.593 0.835 -0.248 162 HH12 ARG 26 1HH1 ARG 26 0.737 2.423 -0.925 163 HH21 ARG 26 2HH2 ARG 26 -1.660 1.892 -3.415 164 HH22 ARG 26 1HH2 ARG 26 -0.546 3.024 -2.726 165 H TYR 27 H TYR 27 -2.241 -5.730 2.271 166 HA TYR 27 HA TYR 27 0.121 -7.441 1.848 167 HB2 TYR 27 1HB TYR 27 -1.747 -7.394 4.227 168 HB3 TYR 27 2HB TYR 27 -0.418 -8.526 4.002 169 HD1 TYR 27 1HD TYR 27 1.861 -7.093 3.274 170 HD2 TYR 27 2HD TYR 27 -1.297 -5.790 5.810 171 HE1 TYR 27 1HE TYR 27 3.398 -5.512 4.365 172 HE2 TYR 27 2HE TYR 27 0.231 -4.204 6.907 173 HH TYR 27 HH TYR 27 2.343 -3.017 6.378 174 H ARG 28 H ARG 28 -0.282 -9.084 0.539 175 HA ARG 28 HA ARG 28 -3.036 -10.080 0.310 176 HB2 ARG 28 1HB ARG 28 -1.631 -9.228 -1.710 177 HB3 ARG 28 2HB ARG 28 -0.822 -10.785 -1.588 178 HG2 ARG 28 1HG ARG 28 -3.209 -11.769 -1.666 179 HG3 ARG 28 2HG ARG 28 -3.661 -10.186 -2.301 180 HD2 ARG 28 1HD ARG 28 -1.883 -10.472 -4.038 181 HD3 ARG 28 2HD ARG 28 -1.666 -12.124 -3.461 182 HE ARG 28 HE ARG 28 -4.371 -11.430 -4.211 183 HH11 ARG 28 2HH1 ARG 28 -1.318 -12.758 -5.229 184 HH12 ARG 28 1HH1 ARG 28 -1.995 -13.637 -6.559 185 HH21 ARG 28 2HH2 ARG 28 -5.275 -12.584 -5.959 186 HH22 ARG 28 1HH2 ARG 28 -4.246 -13.537 -6.974 187 H CYS 29 H CYS 29 -3.553 -12.149 0.775 188 HA CYS 29 HA CYS 29 -1.884 -13.672 2.441 189 HB2 CYS 29 1HB CYS 29 -4.227 -13.990 2.647 190 HB3 CYS 29 2HB CYS 29 -4.406 -14.342 0.932 191 H GLN 30 H GLN 30 -1.089 -15.864 2.057 192 HA GLN 30 HA GLN 30 0.558 -15.988 -0.240 193 HB2 GLN 30 1HB GLN 30 -0.020 -17.775 2.069 194 HB3 GLN 30 2HB GLN 30 0.744 -18.490 0.657 195 HG2 GLN 30 1HG GLN 30 2.334 -16.386 0.923 196 HG3 GLN 30 2HG GLN 30 1.801 -16.521 2.598 197 HE21 GLN 30 1HE2 GLN 30 4.426 -16.992 1.311 198 HE22 GLN 30 2HE2 GLN 30 4.877 -18.594 1.772 199 H GLN 31 H GLN 31 -1.699 -18.552 0.732 200 HA GLN 31 HA GLN 31 -2.365 -18.914 -2.110 201 HB2 GLN 31 1HB GLN 31 -1.254 -20.801 -0.796 202 HB3 GLN 31 2HB GLN 31 -2.776 -20.950 0.073 203 HG2 GLN 31 1HG GLN 31 -2.802 -22.571 -1.640 204 HG3 GLN 31 2HG GLN 31 -3.899 -21.286 -2.139 205 HE21 GLN 31 1HE2 GLN 31 -2.828 -23.127 -3.915 206 HE22 GLN 31 2HE2 GLN 31 -1.760 -22.307 -4.997 207 H CYS 32 H CYS 32 -4.184 -17.818 -2.531 208 HA CYS 32 HA CYS 32 -6.661 -18.677 -1.510 209 HB2 CYS 32 1HB CYS 32 -5.401 -16.344 -0.175 210 HB3 CYS 32 2HB CYS 32 -7.109 -16.195 -0.576 211 H HIS 33 H HIS 33 -8.429 -17.746 -2.600 212 HA HIS 33 HA HIS 33 -7.931 -16.878 -5.211 213 HB2 HIS 33 1HB HIS 33 -10.443 -16.649 -3.542 214 HB3 HIS 33 2HB HIS 33 -10.372 -16.354 -5.277 215 HD1 HIS 33 1HD HIS 33 -10.147 -18.407 -6.822 216 HD2 HIS 33 2HD HIS 33 -10.334 -19.344 -2.778 217 HE1 HIS 33 1HE HIS 33 -10.539 -20.889 -6.724 218 H ASN 34 H ASN 34 -9.762 -14.930 -2.866 219 HA ASN 34 HA ASN 34 -8.181 -12.585 -3.666 220 HB2 ASN 34 1HB ASN 34 -10.217 -11.228 -3.784 221 HB3 ASN 34 2HB ASN 34 -10.291 -12.562 -4.933 222 HD21 ASN 34 1HD2 ASN 34 -12.566 -11.282 -4.220 223 HD22 ASN 34 2HD2 ASN 34 -13.545 -12.308 -3.233 224 H TYR 35 H TYR 35 -7.070 -12.714 -1.690 225 HA TYR 35 HA TYR 35 -8.647 -11.785 0.609 226 HB2 TYR 35 1HB TYR 35 -7.812 -14.311 0.573 227 HB3 TYR 35 2HB TYR 35 -6.315 -13.569 1.127 228 HD1 TYR 35 2HD TYR 35 -9.963 -13.679 1.896 229 HD2 TYR 35 1HD TYR 35 -6.015 -13.151 3.392 230 HE1 TYR 35 2HE TYR 35 -10.846 -13.624 4.190 231 HE2 TYR 35 1HE TYR 35 -6.887 -13.095 5.691 232 HH TYR 35 HH TYR 35 -8.690 -13.451 6.986 233 H GLN 36 H GLN 36 -7.980 -9.717 0.697 234 HA GLN 36 HA GLN 36 -5.088 -9.252 0.980 235 HB2 GLN 36 1HB GLN 36 -7.095 -7.719 -0.647 236 HB3 GLN 36 2HB GLN 36 -5.639 -6.937 -0.044 237 HG2 GLN 36 1HG GLN 36 -4.257 -8.134 -1.415 238 HG3 GLN 36 2HG GLN 36 -5.370 -9.497 -1.531 239 HE21 GLN 36 1HE2 GLN 36 -5.585 -6.017 -2.209 240 HE22 GLN 36 2HE2 GLN 36 -6.196 -6.196 -3.815 241 H LEU 37 H LEU 37 -4.553 -8.325 2.840 242 HA LEU 37 HA LEU 37 -6.569 -6.696 4.236 243 HB2 LEU 37 1HB LEU 37 -4.634 -8.628 5.507 244 HB3 LEU 37 2HB LEU 37 -5.776 -7.592 6.362 245 HG LEU 37 HG LEU 37 -6.570 -9.804 4.471 246 HD11 LEU 37 1HD1 LEU 37 -5.545 -9.990 7.099 247 HD12 LEU 37 2HD1 LEU 37 -6.249 -11.264 6.104 248 HD13 LEU 37 3HD1 LEU 37 -7.276 -10.316 7.178 249 HD21 LEU 37 1HD2 LEU 37 -8.707 -9.218 4.819 250 HD22 LEU 37 2HD2 LEU 37 -8.030 -7.650 5.259 251 HD23 LEU 37 3HD2 LEU 37 -8.429 -8.823 6.515 252 H CYS 38 H CYS 38 -5.547 -5.306 5.970 253 HA CYS 38 HA CYS 38 -2.980 -4.251 4.979 254 HB2 CYS 38 1HB CYS 38 -3.687 -2.058 5.780 255 HB3 CYS 38 2HB CYS 38 -4.881 -2.711 4.664 256 H GLN 39 H GLN 39 -1.728 -3.035 6.688 257 HA GLN 39 HA GLN 39 -0.737 -4.610 8.624 258 HB2 GLN 39 1HB GLN 39 0.087 -2.325 8.004 259 HB3 GLN 39 2HB GLN 39 -1.169 -1.648 9.032 260 HG2 GLN 39 1HG GLN 39 -0.144 -2.329 10.971 261 HG3 GLN 39 2HG GLN 39 0.736 -3.632 10.173 262 HE21 GLN 39 1HE2 GLN 39 0.614 -0.195 10.762 263 HE22 GLN 39 2HE2 GLN 39 2.255 0.135 10.337 264 H ASP 40 H ASP 40 -3.353 -2.260 9.213 265 HA ASP 40 HA ASP 40 -3.854 -2.858 11.866 266 HB2 ASP 40 1HB ASP 40 -5.525 -1.781 9.636 267 HB3 ASP 40 2HB ASP 40 -6.318 -2.221 11.146 268 H CYS 41 H CYS 41 -5.663 -4.152 9.073 269 HA CYS 41 HA CYS 41 -7.260 -5.964 10.349 270 HB2 CYS 41 1HB CYS 41 -5.917 -6.079 7.658 271 HB3 CYS 41 2HB CYS 41 -6.994 -7.363 8.198 272 H PHE 42 H PHE 42 -4.159 -6.872 8.834 273 HA PHE 42 HA PHE 42 -3.925 -9.419 9.801 274 HB2 PHE 42 1HB PHE 42 -2.338 -7.943 8.286 275 HB3 PHE 42 2HB PHE 42 -1.471 -7.713 9.800 276 HD1 PHE 42 2HD PHE 42 -3.135 -10.614 8.137 277 HD2 PHE 42 1HD PHE 42 0.382 -9.043 9.946 278 HE1 PHE 42 2HE PHE 42 -2.007 -12.776 7.813 279 HE2 PHE 42 1HE PHE 42 1.517 -11.203 9.624 280 HZ PHE 42 HZ PHE 42 0.321 -13.073 8.558 281 H TRP 43 H TRP 43 -2.563 -6.518 11.367 282 HA TRP 43 HA TRP 43 -1.513 -7.614 13.631 283 HB2 TRP 43 1HB TRP 43 -2.831 -4.991 13.074 284 HB3 TRP 43 2HB TRP 43 -2.423 -5.390 14.740 285 HD1 TRP 43 HD TRP 43 -0.312 -6.059 11.556 286 HE1 TRP 43 1HE TRP 43 1.980 -4.933 11.877 287 HE3 TRP 43 3HE TRP 43 -1.144 -3.791 16.062 288 HZ2 TRP 43 2HZ TRP 43 3.266 -3.300 13.787 289 HZ3 TRP 43 3HZ TRP 43 0.669 -2.466 17.068 290 HH2 TRP 43 HH TRP 43 2.827 -2.227 15.952 291 H ARG 44 H ARG 44 -4.911 -6.748 13.095 292 HA ARG 44 HA ARG 44 -5.760 -7.559 15.696 293 HB2 ARG 44 1HB ARG 44 -7.337 -7.093 13.159 294 HB3 ARG 44 2HB ARG 44 -8.046 -7.350 14.747 295 HG2 ARG 44 1HG ARG 44 -6.159 -5.096 14.116 296 HG3 ARG 44 2HG ARG 44 -7.916 -4.967 14.011 297 HD2 ARG 44 1HD ARG 44 -6.709 -6.002 16.527 298 HD3 ARG 44 2HD ARG 44 -6.609 -4.273 16.196 299 HE ARG 44 HE ARG 44 -9.000 -5.803 16.800 300 HH11 ARG 44 2HH1 ARG 44 -7.635 -2.812 15.656 301 HH12 ARG 44 1HH1 ARG 44 -9.064 -1.886 15.977 302 HH21 ARG 44 2HH2 ARG 44 -10.886 -4.595 17.228 303 HH22 ARG 44 1HH2 ARG 44 -10.912 -2.901 16.872 304 H GLY 45 H GLY 45 -5.642 -9.093 12.522 305 HA2 GLY 45 1HA GLY 45 -5.395 -11.418 12.197 306 HA3 GLY 45 2HA GLY 45 -6.001 -11.686 13.825 307 H HIS 46 H HIS 46 -6.786 -11.465 10.499 308 HA HIS 46 HA HIS 46 -9.626 -11.921 11.145 309 HB2 HIS 46 1HB HIS 46 -8.380 -10.409 8.856 310 HB3 HIS 46 2HB HIS 46 -10.033 -11.012 8.781 311 HD1 HIS 46 1HD HIS 46 -10.827 -8.512 8.631 312 HD2 HIS 46 2HD HIS 46 -8.951 -9.549 12.190 313 HE1 HIS 46 1HE HIS 46 -11.365 -6.656 10.240 314 H ALA 47 H ALA 47 -10.653 -13.616 10.173 315 HA ALA 47 HA ALA 47 -9.675 -15.012 7.916 316 HB1 ALA 47 1HB ALA 47 -8.307 -15.646 10.256 317 HB2 ALA 47 2HB ALA 47 -9.448 -16.971 10.023 318 HB3 ALA 47 3HB ALA 47 -8.307 -16.555 8.744 319 H GLY 48 H GLY 48 -10.725 -17.422 8.041 320 HA2 GLY 48 1HA GLY 48 -13.119 -17.760 9.474 321 HA3 GLY 48 2HA GLY 48 -13.500 -17.006 7.933 322 H GLY 49 H GLY 49 -14.695 -19.284 8.171 323 HA2 GLY 49 1HA GLY 49 -13.609 -21.722 7.843 324 HA3 GLY 49 2HA GLY 49 -14.997 -21.200 6.900 325 H SER 50 H SER 50 -13.398 -19.119 5.527 326 HA SER 50 HA SER 50 -12.306 -20.859 3.471 327 HB2 SER 50 1HB SER 50 -12.628 -17.848 3.466 328 HB3 SER 50 2HB SER 50 -12.257 -18.863 2.073 329 HG SER 50 HG SER 50 -14.341 -19.949 2.686 330 H HIS 51 H HIS 51 -11.165 -17.743 4.770 331 HA HIS 51 HA HIS 51 -8.425 -18.476 4.243 332 HB2 HIS 51 1HB HIS 51 -9.129 -16.179 3.859 333 HB3 HIS 51 2HB HIS 51 -9.623 -16.020 5.542 334 HD2 HIS 51 2HD HIS 51 -7.611 -15.346 7.300 335 HE1 HIS 51 1HE HIS 51 -4.444 -15.409 4.479 336 HE2 HIS 51 2HE HIS 51 -5.101 -14.906 6.857 337 H SER 52 H SER 52 -6.831 -18.917 5.719 338 HA SER 52 HA SER 52 -7.766 -19.564 8.429 339 HB2 SER 52 1HB SER 52 -6.871 -21.472 7.203 340 HB3 SER 52 2HB SER 52 -5.374 -20.596 6.885 341 HG SER 52 HG SER 52 -5.697 -20.502 9.471 342 H ASN 53 H ASN 53 -7.029 -18.460 10.123 343 HA ASN 53 HA ASN 53 -5.662 -16.099 9.999 344 HB2 ASN 53 1HB ASN 53 -5.434 -16.193 12.352 345 HB3 ASN 53 2HB ASN 53 -6.883 -17.128 11.993 346 HD21 ASN 53 1HD2 ASN 53 -4.098 -17.083 13.733 347 HD22 ASN 53 2HD2 ASN 53 -3.925 -18.773 14.043 348 H GLN 54 H GLN 54 -4.337 -19.330 10.076 349 HA GLN 54 HA GLN 54 -1.670 -18.654 10.704 350 HB2 GLN 54 1HB GLN 54 -3.054 -21.012 9.537 351 HB3 GLN 54 2HB GLN 54 -1.317 -20.895 9.291 352 HG2 GLN 54 1HG GLN 54 -1.329 -22.063 11.229 353 HG3 GLN 54 2HG GLN 54 -1.345 -20.430 11.892 354 HE21 GLN 54 1HE2 GLN 54 -3.789 -22.630 10.549 355 HE22 GLN 54 2HE2 GLN 54 -4.885 -22.496 11.878 356 H HIS 55 H HIS 55 -3.464 -18.753 7.690 357 HA HIS 55 HA HIS 55 -1.491 -18.723 5.796 358 HB2 HIS 55 1HB HIS 55 -4.111 -17.242 5.919 359 HB3 HIS 55 2HB HIS 55 -3.063 -17.148 4.507 360 HD2 HIS 55 2HD HIS 55 -3.067 -20.666 5.964 361 HE1 HIS 55 1HE HIS 55 -5.913 -20.644 2.818 362 HE2 HIS 55 2HE HIS 55 -4.659 -22.062 4.479 363 H GLN 56 H GLN 56 0.288 -17.548 5.607 364 HA GLN 56 HA GLN 56 0.517 -14.982 6.923 365 HB2 GLN 56 1HB GLN 56 2.310 -16.884 6.699 366 HB3 GLN 56 2HB GLN 56 2.643 -16.120 5.151 367 HG2 GLN 56 1HG GLN 56 3.059 -13.995 6.310 368 HG3 GLN 56 2HG GLN 56 2.779 -14.801 7.853 369 HE21 GLN 56 1HE2 GLN 56 5.144 -13.460 7.173 370 HE22 GLN 56 2HE2 GLN 56 6.426 -14.617 7.109 371 H MET 57 H MET 57 0.569 -13.013 5.978 372 HA MET 57 HA MET 57 0.010 -12.921 3.096 373 HB2 MET 57 1HB MET 57 -0.389 -10.696 5.094 374 HB3 MET 57 2HB MET 57 -1.038 -10.803 3.463 375 HG2 MET 57 1HG MET 57 -2.329 -12.820 4.229 376 HG3 MET 57 2HG MET 57 -1.827 -12.416 5.869 377 HE1 MET 57 1HE MET 57 -5.286 -11.068 3.568 378 HE2 MET 57 2HE MET 57 -3.912 -10.316 2.757 379 HE3 MET 57 3HE MET 57 -3.928 -12.059 3.033 380 H LYS 58 H LYS 58 1.287 -11.809 1.706 381 HA LYS 58 HA LYS 58 3.756 -10.664 2.822 382 HB2 LYS 58 1HB LYS 58 3.129 -12.118 0.288 383 HB3 LYS 58 2HB LYS 58 4.442 -10.947 0.284 384 HG2 LYS 58 1HG LYS 58 5.626 -12.155 1.962 385 HG3 LYS 58 2HG LYS 58 4.251 -13.226 2.239 386 HD2 LYS 58 1HD LYS 58 5.646 -14.514 0.903 387 HD3 LYS 58 2HD LYS 58 4.518 -13.824 -0.266 388 HE2 LYS 58 1HE LYS 58 7.123 -12.479 0.368 389 HE3 LYS 58 2HE LYS 58 7.034 -13.785 -0.813 390 HZ1 LYS 58 1HZ LYS 58 6.425 -11.083 -1.179 391 HZ2 LYS 58 2HZ LYS 58 4.985 -11.953 -1.354 392 HZ3 LYS 58 3HZ LYS 58 6.326 -12.338 -2.310 393 H GLU 59 H GLU 59 4.666 -8.785 1.741 394 HA GLU 59 HA GLU 59 2.721 -6.754 1.339 395 HB2 GLU 59 1HB GLU 59 5.051 -6.453 2.288 396 HB3 GLU 59 2HB GLU 59 5.653 -6.587 0.642 397 HG2 GLU 59 1HG GLU 59 3.522 -4.597 1.203 398 HG3 GLU 59 2HG GLU 59 5.161 -4.254 1.752 399 H TYR 60 H TYR 60 1.712 -6.151 -0.457 400 HA TYR 60 HA TYR 60 2.943 -6.715 -3.058 401 HB2 TYR 60 1HB TYR 60 0.303 -7.693 -2.062 402 HB3 TYR 60 2HB TYR 60 0.446 -7.246 -3.759 403 HD1 TYR 60 2HD TYR 60 2.393 -8.340 -5.079 404 HD2 TYR 60 1HD TYR 60 0.925 -9.825 -1.372 405 HE1 TYR 60 2HE TYR 60 3.368 -10.541 -5.581 406 HE2 TYR 60 1HE TYR 60 1.897 -12.030 -1.863 407 HH TYR 60 HH TYR 60 2.908 -12.963 -4.876 408 H THR 61 H THR 61 1.317 -5.716 -4.812 409 HA THR 61 HA THR 61 0.424 -3.084 -3.856 410 HB THR 61 HB THR 61 2.653 -2.782 -4.838 411 HG1 THR 61 1HG THR 61 1.200 -1.088 -5.153 412 HG21 THR 61 1HG2 THR 61 1.610 -3.523 -7.536 413 HG22 THR 61 2HG2 THR 61 2.200 -4.795 -6.467 414 HG23 THR 61 3HG2 THR 61 3.271 -3.478 -6.945 415 H SER 62 H SER 62 0.356 -5.491 -6.446 416 HA SER 62 HA SER 62 -1.633 -4.392 -8.042 417 HB2 SER 62 1HB SER 62 -0.260 -6.389 -8.628 418 HB3 SER 62 2HB SER 62 -1.213 -7.339 -7.489 419 HG SER 62 HG SER 62 -2.601 -5.875 -9.409 420 H TRP 63 H TRP 63 -3.365 -3.507 -7.015 421 HA TRP 63 HA TRP 63 -5.069 -5.360 -5.481 422 HB2 TRP 63 1HB TRP 63 -4.245 -2.564 -4.936 423 HB3 TRP 63 2HB TRP 63 -5.927 -2.962 -4.600 424 HD1 TRP 63 HD TRP 63 -3.332 -5.672 -4.028 425 HE1 TRP 63 1HE TRP 63 -3.085 -6.079 -1.498 426 HE3 TRP 63 3HE TRP 63 -6.105 -1.740 -2.299 427 HZ2 TRP 63 2HZ TRP 63 -3.953 -4.891 0.911 428 HZ3 TRP 63 3HZ TRP 63 -6.348 -1.447 0.132 429 HH2 TRP 63 HH TRP 63 -5.294 -2.991 1.702 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -19.935 15.158 -5.538 2 HA2 GLY 1 1HA GLY 1 -20.751 14.946 -7.886 3 HA3 GLY 1 2HA GLY 1 -19.283 15.792 -8.351 4 H SER 2 H SER 2 -19.983 13.326 -9.428 5 HA SER 2 HA SER 2 -17.705 11.729 -8.547 6 HB2 SER 2 1HB SER 2 -20.565 10.831 -8.492 7 HB3 SER 2 2HB SER 2 -19.295 9.662 -8.855 8 HG SER 2 HG SER 2 -19.842 9.861 -6.587 9 H SER 3 H SER 3 -16.595 10.921 -10.215 10 HA SER 3 HA SER 3 -17.737 11.236 -12.894 11 HB2 SER 3 1HB SER 3 -15.582 12.318 -12.526 12 HB3 SER 3 2HB SER 3 -14.878 10.789 -12.000 13 HG SER 3 HG SER 3 -15.698 10.100 -14.236 14 H GLY 4 H GLY 4 -17.633 9.571 -14.450 15 HA2 GLY 4 1HA GLY 4 -17.825 6.907 -13.272 16 HA3 GLY 4 2HA GLY 4 -18.342 7.370 -14.886 17 H SER 5 H SER 5 -15.194 7.912 -13.361 18 HA SER 5 HA SER 5 -13.892 6.721 -15.661 19 HB2 SER 5 1HB SER 5 -13.022 8.377 -13.334 20 HB3 SER 5 2HB SER 5 -11.813 7.377 -14.139 21 HG SER 5 HG SER 5 -13.101 8.529 -16.071 22 H SER 6 H SER 6 -12.554 4.929 -15.633 23 HA SER 6 HA SER 6 -13.034 3.084 -13.409 24 HB2 SER 6 1HB SER 6 -12.230 1.337 -14.990 25 HB3 SER 6 2HB SER 6 -13.622 2.227 -15.606 26 HG SER 6 HG SER 6 -10.905 2.696 -16.287 27 H GLY 7 H GLY 7 -11.449 2.345 -12.112 28 HA2 GLY 7 1HA GLY 7 -9.179 1.718 -11.670 29 HA3 GLY 7 2HA GLY 7 -8.658 2.911 -12.850 30 H VAL 8 H VAL 8 -10.788 3.064 -9.996 31 HA VAL 8 HA VAL 8 -9.526 5.552 -9.195 32 HB VAL 8 HB VAL 8 -11.228 5.650 -7.448 33 HG11 VAL 8 1HG1 VAL 8 -11.722 6.389 -9.781 34 HG12 VAL 8 2HG1 VAL 8 -12.497 4.827 -10.054 35 HG13 VAL 8 3HG1 VAL 8 -13.147 5.936 -8.845 36 HG21 VAL 8 1HG2 VAL 8 -12.422 3.899 -6.724 37 HG22 VAL 8 2HG2 VAL 8 -12.751 3.328 -8.360 38 HG23 VAL 8 3HG2 VAL 8 -11.228 2.916 -7.573 39 H PHE 9 H PHE 9 -7.636 3.645 -9.062 40 HA PHE 9 HA PHE 9 -7.511 2.564 -6.371 41 HB2 PHE 9 1HB PHE 9 -5.461 2.457 -8.594 42 HB3 PHE 9 2HB PHE 9 -5.419 1.529 -7.098 43 HD1 PHE 9 2HD PHE 9 -7.234 -0.166 -6.679 44 HD2 PHE 9 1HD PHE 9 -6.640 1.691 -10.463 45 HE1 PHE 9 2HE PHE 9 -8.521 -1.964 -7.759 46 HE2 PHE 9 1HE PHE 9 -7.927 -0.103 -11.549 47 HZ PHE 9 HZ PHE 9 -8.868 -1.934 -10.197 48 H HIS 10 H HIS 10 -7.405 5.521 -7.041 49 HA HIS 10 HA HIS 10 -4.786 6.440 -6.439 50 HB2 HIS 10 1HB HIS 10 -6.001 8.092 -7.480 51 HB3 HIS 10 2HB HIS 10 -7.491 7.676 -6.638 52 HD1 HIS 10 1HD HIS 10 -4.815 10.107 -6.654 53 HD2 HIS 10 2HD HIS 10 -7.442 8.573 -3.824 54 HE1 HIS 10 1HE HIS 10 -4.788 11.751 -4.751 55 HA PRO 11 HA PRO 11 -6.548 7.134 -1.988 56 HB2 PRO 11 1HB PRO 11 -8.908 5.931 -1.394 57 HB3 PRO 11 2HB PRO 11 -8.803 7.565 -2.061 58 HG2 PRO 11 1HG PRO 11 -9.385 4.982 -3.459 59 HG3 PRO 11 2HG PRO 11 -10.165 6.562 -3.657 60 HD2 PRO 11 1HD PRO 11 -8.293 5.635 -5.380 61 HD3 PRO 11 2HD PRO 11 -8.484 7.363 -5.016 62 H VAL 12 H VAL 12 -7.296 5.508 -0.082 63 HA VAL 12 HA VAL 12 -6.095 2.884 -0.683 64 HB VAL 12 HB VAL 12 -5.705 4.515 1.830 65 HG11 VAL 12 1HG1 VAL 12 -5.786 1.811 1.701 66 HG12 VAL 12 2HG1 VAL 12 -4.078 2.110 1.370 67 HG13 VAL 12 3HG1 VAL 12 -4.811 2.722 2.854 68 HG21 VAL 12 1HG2 VAL 12 -3.774 3.751 -0.358 69 HG22 VAL 12 2HG2 VAL 12 -4.393 5.369 -0.027 70 HG23 VAL 12 3HG2 VAL 12 -3.343 4.570 1.143 71 H GLU 13 H GLU 13 -7.966 1.712 -0.784 72 HA GLU 13 HA GLU 13 -9.610 1.670 1.662 73 HB2 GLU 13 1HB GLU 13 -10.412 1.375 -1.224 74 HB3 GLU 13 2HB GLU 13 -11.431 0.786 0.082 75 HG2 GLU 13 1HG GLU 13 -11.853 2.924 0.886 76 HG3 GLU 13 2HG GLU 13 -10.465 3.616 0.050 77 H CYS 14 H CYS 14 -9.371 -0.139 2.778 78 HA CYS 14 HA CYS 14 -7.976 -2.396 1.865 79 HB2 CYS 14 1HB CYS 14 -8.606 -1.548 4.297 80 HB3 CYS 14 2HB CYS 14 -9.951 -2.665 4.088 81 H SER 15 H SER 15 -9.157 -4.672 2.306 82 HA SER 15 HA SER 15 -11.226 -4.796 0.256 83 HB2 SER 15 1HB SER 15 -9.189 -6.319 0.268 84 HB3 SER 15 2HB SER 15 -9.914 -7.129 1.657 85 HG SER 15 HG SER 15 -11.103 -6.836 -0.906 86 H TYR 16 H TYR 16 -10.780 -5.344 3.678 87 HA TYR 16 HA TYR 16 -13.615 -6.114 3.898 88 HB2 TYR 16 1HB TYR 16 -12.009 -7.821 4.706 89 HB3 TYR 16 2HB TYR 16 -11.377 -6.653 5.862 90 HD1 TYR 16 2HD TYR 16 -13.258 -5.559 7.409 91 HD2 TYR 16 1HD TYR 16 -13.587 -9.325 5.457 92 HE1 TYR 16 2HE TYR 16 -14.959 -6.251 9.045 93 HE2 TYR 16 1HE TYR 16 -15.290 -10.028 7.086 94 HH TYR 16 HH TYR 16 -16.453 -7.812 9.598 95 H CYS 17 H CYS 17 -11.214 -4.733 6.137 96 HA CYS 17 HA CYS 17 -13.055 -3.187 7.568 97 HB2 CYS 17 1HB CYS 17 -11.230 -2.311 8.719 98 HB3 CYS 17 2HB CYS 17 -10.606 -3.851 8.138 99 H HIS 18 H HIS 18 -11.837 -2.743 4.454 100 HA HIS 18 HA HIS 18 -11.675 -0.928 3.041 101 HB2 HIS 18 1HB HIS 18 -14.383 -0.508 4.323 102 HB3 HIS 18 2HB HIS 18 -13.856 0.235 2.816 103 HD1 HIS 18 1HD HIS 18 -15.514 -2.711 4.124 104 HD2 HIS 18 2HD HIS 18 -13.314 -1.769 0.728 105 HE1 HIS 18 1HE HIS 18 -16.032 -4.526 2.463 106 H SER 19 H SER 19 -10.094 -0.273 5.061 107 HA SER 19 HA SER 19 -10.736 1.947 6.621 108 HB2 SER 19 1HB SER 19 -8.683 0.484 6.828 109 HB3 SER 19 2HB SER 19 -7.999 1.377 5.470 110 HG SER 19 HG SER 19 -7.857 3.161 6.690 111 H GLU 20 H GLU 20 -9.481 4.112 6.336 112 HA GLU 20 HA GLU 20 -9.805 5.034 3.557 113 HB2 GLU 20 1HB GLU 20 -10.626 7.191 4.460 114 HB3 GLU 20 2HB GLU 20 -11.691 5.843 4.834 115 HG2 GLU 20 1HG GLU 20 -9.660 6.984 6.738 116 HG3 GLU 20 2HG GLU 20 -11.366 7.427 6.709 117 H SER 21 H SER 21 -8.218 5.550 6.672 118 HA SER 21 HA SER 21 -6.530 7.626 6.139 119 HB2 SER 21 1HB SER 21 -6.737 6.205 8.275 120 HB3 SER 21 2HB SER 21 -5.525 5.155 7.542 121 HG SER 21 HG SER 21 -4.613 7.594 7.283 122 H MET 22 H MET 22 -4.550 7.926 5.164 123 HA MET 22 HA MET 22 -4.000 6.423 2.854 124 HB2 MET 22 1HB MET 22 -3.371 8.843 3.337 125 HB3 MET 22 2HB MET 22 -2.019 8.206 4.264 126 HG2 MET 22 1HG MET 22 -0.985 7.319 2.373 127 HG3 MET 22 2HG MET 22 -2.460 7.411 1.413 128 HE1 MET 22 1HE MET 22 -3.140 8.866 0.105 129 HE2 MET 22 2HE MET 22 -2.969 10.620 0.182 130 HE3 MET 22 3HE MET 22 -1.845 9.666 -0.786 131 H MET 23 H MET 23 -3.721 4.256 3.359 132 HA MET 23 HA MET 23 -1.204 3.622 4.752 133 HB2 MET 23 1HB MET 23 -3.837 2.150 4.866 134 HB3 MET 23 2HB MET 23 -2.320 1.462 5.429 135 HG2 MET 23 1HG MET 23 -2.120 3.432 6.972 136 HG3 MET 23 2HG MET 23 -3.768 3.856 6.517 137 HE1 MET 23 1HE MET 23 -1.810 2.891 8.926 138 HE2 MET 23 2HE MET 23 -2.905 2.162 10.101 139 HE3 MET 23 3HE MET 23 -1.836 1.140 9.139 140 H GLY 24 H GLY 24 -0.102 3.576 2.751 141 HA2 GLY 24 1HA GLY 24 -0.983 1.896 0.600 142 HA3 GLY 24 2HA GLY 24 0.577 2.696 0.726 143 H PHE 25 H PHE 25 -1.134 0.168 2.573 144 HA PHE 25 HA PHE 25 1.231 -1.548 2.210 145 HB2 PHE 25 1HB PHE 25 -0.425 -1.493 4.732 146 HB3 PHE 25 2HB PHE 25 1.121 -2.293 4.472 147 HD1 PHE 25 2HD PHE 25 -0.480 1.047 4.654 148 HD2 PHE 25 1HD PHE 25 3.119 -1.204 4.962 149 HE1 PHE 25 2HE PHE 25 0.687 3.037 5.508 150 HE2 PHE 25 1HE PHE 25 4.292 0.783 5.818 151 HZ PHE 25 HZ PHE 25 3.076 2.907 6.091 152 H ARG 26 H ARG 26 0.275 -2.740 0.571 153 HA ARG 26 HA ARG 26 -2.295 -4.015 1.069 154 HB2 ARG 26 1HB ARG 26 -1.870 -3.076 -1.152 155 HB3 ARG 26 2HB ARG 26 -0.467 -4.120 -1.337 156 HG2 ARG 26 1HG ARG 26 -2.211 -5.112 -2.573 157 HG3 ARG 26 2HG ARG 26 -2.032 -6.077 -1.106 158 HD2 ARG 26 1HD ARG 26 -4.382 -5.687 -1.601 159 HD3 ARG 26 2HD ARG 26 -3.919 -4.888 -0.099 160 HE ARG 26 HE ARG 26 -4.363 -2.862 -1.074 161 HH11 ARG 26 2HH1 ARG 26 -4.198 -5.317 -3.538 162 HH12 ARG 26 1HH1 ARG 26 -4.776 -4.276 -4.797 163 HH21 ARG 26 2HH2 ARG 26 -5.125 -1.483 -2.723 164 HH22 ARG 26 1HH2 ARG 26 -5.302 -2.095 -4.332 165 H TYR 27 H TYR 27 -2.298 -5.807 2.252 166 HA TYR 27 HA TYR 27 -0.032 -7.668 2.009 167 HB2 TYR 27 1HB TYR 27 -2.045 -7.309 4.236 168 HB3 TYR 27 2HB TYR 27 -0.824 -8.575 4.198 169 HD1 TYR 27 1HD TYR 27 1.652 -7.689 3.847 170 HD2 TYR 27 2HD TYR 27 -1.563 -5.363 5.381 171 HE1 TYR 27 1HE TYR 27 3.267 -6.170 4.910 172 HE2 TYR 27 2HE TYR 27 0.044 -3.836 6.448 173 HH TYR 27 HH TYR 27 2.499 -4.042 7.287 174 H ARG 28 H ARG 28 -0.518 -9.117 0.472 175 HA ARG 28 HA ARG 28 -3.225 -10.227 0.352 176 HB2 ARG 28 1HB ARG 28 -2.086 -9.357 -1.722 177 HB3 ARG 28 2HB ARG 28 -0.946 -10.688 -1.573 178 HG2 ARG 28 1HG ARG 28 -2.974 -12.223 -1.628 179 HG3 ARG 28 2HG ARG 28 -3.883 -10.807 -2.161 180 HD2 ARG 28 1HD ARG 28 -3.288 -11.688 -4.186 181 HD3 ARG 28 2HD ARG 28 -1.919 -10.614 -3.900 182 HE ARG 28 HE ARG 28 -1.045 -12.909 -2.837 183 HH11 ARG 28 2HH1 ARG 28 -2.564 -12.204 -5.889 184 HH12 ARG 28 1HH1 ARG 28 -1.762 -13.487 -6.733 185 HH21 ARG 28 2HH2 ARG 28 0.017 -14.602 -3.937 186 HH22 ARG 28 1HH2 ARG 28 -0.295 -14.851 -5.621 187 H CYS 29 H CYS 29 -3.667 -12.136 1.220 188 HA CYS 29 HA CYS 29 -2.016 -13.661 2.756 189 HB2 CYS 29 1HB CYS 29 -4.331 -14.126 2.858 190 HB3 CYS 29 2HB CYS 29 -4.427 -14.441 1.128 191 H GLN 30 H GLN 30 -1.163 -15.868 2.406 192 HA GLN 30 HA GLN 30 0.644 -15.896 0.217 193 HB2 GLN 30 1HB GLN 30 -0.059 -17.953 2.307 194 HB3 GLN 30 2HB GLN 30 1.163 -18.232 1.074 195 HG2 GLN 30 1HG GLN 30 2.145 -15.979 1.963 196 HG3 GLN 30 2HG GLN 30 1.204 -16.376 3.400 197 HE21 GLN 30 1HE2 GLN 30 4.183 -16.402 2.444 198 HE22 GLN 30 2HE2 GLN 30 4.774 -17.875 3.126 199 H GLN 31 H GLN 31 -1.587 -18.530 1.071 200 HA GLN 31 HA GLN 31 -2.039 -18.951 -1.806 201 HB2 GLN 31 1HB GLN 31 -0.980 -20.780 -0.343 202 HB3 GLN 31 2HB GLN 31 -2.583 -20.976 0.353 203 HG2 GLN 31 1HG GLN 31 -3.364 -21.245 -2.089 204 HG3 GLN 31 2HG GLN 31 -1.659 -21.534 -2.433 205 HE21 GLN 31 1HE2 GLN 31 -2.624 -23.621 -3.136 206 HE22 GLN 31 2HE2 GLN 31 -2.771 -24.872 -1.954 207 H CYS 32 H CYS 32 -3.849 -17.899 -2.365 208 HA CYS 32 HA CYS 32 -6.370 -18.815 -1.501 209 HB2 CYS 32 1HB CYS 32 -5.267 -16.416 -0.144 210 HB3 CYS 32 2HB CYS 32 -6.947 -16.327 -0.662 211 H HIS 33 H HIS 33 -8.146 -17.719 -2.582 212 HA HIS 33 HA HIS 33 -7.466 -16.957 -5.229 213 HB2 HIS 33 1HB HIS 33 -10.045 -17.021 -3.681 214 HB3 HIS 33 2HB HIS 33 -9.981 -16.378 -5.320 215 HD1 HIS 33 1HD HIS 33 -11.164 -19.220 -3.928 216 HD2 HIS 33 2HD HIS 33 -8.220 -18.637 -6.801 217 HE1 HIS 33 1HE HIS 33 -11.007 -21.395 -5.181 218 H ASN 34 H ASN 34 -9.460 -15.077 -2.955 219 HA ASN 34 HA ASN 34 -7.942 -12.675 -3.695 220 HB2 ASN 34 1HB ASN 34 -10.962 -12.860 -3.622 221 HB3 ASN 34 2HB ASN 34 -10.030 -11.395 -3.912 222 HD21 ASN 34 1HD2 ASN 34 -9.455 -10.917 -5.927 223 HD22 ASN 34 2HD2 ASN 34 -9.642 -11.962 -7.290 224 H TYR 35 H TYR 35 -6.944 -12.796 -1.650 225 HA TYR 35 HA TYR 35 -8.677 -11.897 0.547 226 HB2 TYR 35 1HB TYR 35 -7.795 -14.404 0.572 227 HB3 TYR 35 2HB TYR 35 -6.341 -13.635 1.199 228 HD1 TYR 35 2HD TYR 35 -9.959 -14.126 1.813 229 HD2 TYR 35 1HD TYR 35 -6.230 -12.882 3.440 230 HE1 TYR 35 2HE TYR 35 -10.961 -14.078 4.058 231 HE2 TYR 35 1HE TYR 35 -7.221 -12.832 5.691 232 HH TYR 35 HH TYR 35 -9.503 -12.590 6.692 233 H GLN 36 H GLN 36 -8.062 -9.814 0.669 234 HA GLN 36 HA GLN 36 -5.190 -9.278 1.042 235 HB2 GLN 36 1HB GLN 36 -7.249 -7.766 -0.528 236 HB3 GLN 36 2HB GLN 36 -5.864 -6.923 0.151 237 HG2 GLN 36 1HG GLN 36 -4.373 -7.951 -1.244 238 HG3 GLN 36 2HG GLN 36 -5.389 -9.376 -1.457 239 HE21 GLN 36 1HE2 GLN 36 -4.454 -8.656 -3.702 240 HE22 GLN 36 2HE2 GLN 36 -5.546 -7.717 -4.656 241 H LEU 37 H LEU 37 -4.615 -7.770 2.608 242 HA LEU 37 HA LEU 37 -6.696 -6.493 4.183 243 HB2 LEU 37 1HB LEU 37 -4.759 -8.477 5.366 244 HB3 LEU 37 2HB LEU 37 -5.799 -7.403 6.301 245 HG LEU 37 HG LEU 37 -6.767 -9.577 4.444 246 HD11 LEU 37 1HD1 LEU 37 -5.634 -10.477 6.419 247 HD12 LEU 37 2HD1 LEU 37 -7.370 -10.780 6.468 248 HD13 LEU 37 3HD1 LEU 37 -6.670 -9.498 7.457 249 HD21 LEU 37 1HD2 LEU 37 -8.948 -9.122 5.324 250 HD22 LEU 37 2HD2 LEU 37 -8.272 -7.610 4.718 251 HD23 LEU 37 3HD2 LEU 37 -8.299 -7.931 6.452 252 H CYS 38 H CYS 38 -5.733 -5.081 5.906 253 HA CYS 38 HA CYS 38 -3.237 -3.900 4.894 254 HB2 CYS 38 1HB CYS 38 -3.963 -1.815 5.910 255 HB3 CYS 38 2HB CYS 38 -5.238 -2.441 4.870 256 H GLN 39 H GLN 39 -2.119 -2.575 6.770 257 HA GLN 39 HA GLN 39 -0.837 -4.325 8.439 258 HB2 GLN 39 1HB GLN 39 -0.284 -1.876 7.923 259 HB3 GLN 39 2HB GLN 39 -1.364 -1.474 9.252 260 HG2 GLN 39 1HG GLN 39 0.083 -3.071 10.643 261 HG3 GLN 39 2HG GLN 39 1.251 -2.924 9.331 262 HE21 GLN 39 1HE2 GLN 39 -0.631 -1.064 11.659 263 HE22 GLN 39 2HE2 GLN 39 0.491 0.243 11.796 264 H ASP 40 H ASP 40 -3.579 -2.229 9.317 265 HA ASP 40 HA ASP 40 -3.850 -3.076 11.962 266 HB2 ASP 40 1HB ASP 40 -5.058 -1.150 11.392 267 HB3 ASP 40 2HB ASP 40 -5.775 -1.907 9.972 268 H CYS 41 H CYS 41 -5.837 -4.106 9.179 269 HA CYS 41 HA CYS 41 -7.337 -6.062 10.291 270 HB2 CYS 41 1HB CYS 41 -6.025 -5.891 7.596 271 HB3 CYS 41 2HB CYS 41 -6.978 -7.307 8.027 272 H PHE 42 H PHE 42 -4.014 -6.493 9.101 273 HA PHE 42 HA PHE 42 -3.792 -9.216 9.777 274 HB2 PHE 42 1HB PHE 42 -2.268 -7.785 8.270 275 HB3 PHE 42 2HB PHE 42 -1.463 -7.309 9.762 276 HD1 PHE 42 2HD PHE 42 -2.794 -10.568 8.528 277 HD2 PHE 42 1HD PHE 42 0.571 -8.358 9.907 278 HE1 PHE 42 2HE PHE 42 -1.420 -12.607 8.430 279 HE2 PHE 42 1HE PHE 42 1.951 -10.392 9.811 280 HZ PHE 42 HZ PHE 42 0.956 -12.521 9.073 281 H TRP 43 H TRP 43 -2.434 -6.377 11.460 282 HA TRP 43 HA TRP 43 -1.354 -7.507 13.663 283 HB2 TRP 43 1HB TRP 43 -2.850 -4.948 13.272 284 HB3 TRP 43 2HB TRP 43 -2.374 -5.411 14.903 285 HD1 TRP 43 HD TRP 43 -0.290 -5.792 11.658 286 HE1 TRP 43 1HE TRP 43 1.925 -4.523 11.985 287 HE3 TRP 43 3HE TRP 43 -1.190 -3.762 16.263 288 HZ2 TRP 43 2HZ TRP 43 3.132 -2.880 13.937 289 HZ3 TRP 43 3HZ TRP 43 0.546 -2.354 17.290 290 HH2 TRP 43 HH TRP 43 2.662 -1.924 16.150 291 H ARG 44 H ARG 44 -4.803 -6.902 13.148 292 HA ARG 44 HA ARG 44 -5.532 -7.965 15.726 293 HB2 ARG 44 1HB ARG 44 -7.243 -7.254 13.335 294 HB3 ARG 44 2HB ARG 44 -7.850 -7.663 14.934 295 HG2 ARG 44 1HG ARG 44 -6.001 -5.348 14.430 296 HG3 ARG 44 2HG ARG 44 -7.760 -5.213 14.378 297 HD2 ARG 44 1HD ARG 44 -6.393 -6.404 16.760 298 HD3 ARG 44 2HD ARG 44 -6.506 -4.654 16.577 299 HE ARG 44 HE ARG 44 -9.049 -5.383 16.237 300 HH11 ARG 44 2HH1 ARG 44 -6.702 -6.319 18.632 301 HH12 ARG 44 1HH1 ARG 44 -7.882 -6.585 19.873 302 HH21 ARG 44 2HH2 ARG 44 -10.611 -5.729 17.862 303 HH22 ARG 44 1HH2 ARG 44 -10.105 -6.250 19.433 304 H GLY 45 H GLY 45 -5.532 -9.077 12.377 305 HA2 GLY 45 1HA GLY 45 -5.239 -11.344 11.763 306 HA3 GLY 45 2HA GLY 45 -5.808 -11.823 13.356 307 H HIS 46 H HIS 46 -6.594 -11.734 10.152 308 HA HIS 46 HA HIS 46 -9.472 -11.904 10.762 309 HB2 HIS 46 1HB HIS 46 -8.039 -10.513 8.549 310 HB3 HIS 46 2HB HIS 46 -9.587 -11.267 8.180 311 HD1 HIS 46 1HD HIS 46 -10.751 -9.003 7.822 312 HD2 HIS 46 2HD HIS 46 -9.121 -9.474 11.614 313 HE1 HIS 46 1HE HIS 46 -11.700 -7.125 9.199 314 H ALA 47 H ALA 47 -10.677 -13.466 9.631 315 HA ALA 47 HA ALA 47 -9.612 -15.183 7.664 316 HB1 ALA 47 1HB ALA 47 -9.924 -16.919 9.971 317 HB2 ALA 47 2HB ALA 47 -8.630 -16.848 8.774 318 HB3 ALA 47 3HB ALA 47 -8.604 -15.766 10.167 319 H GLY 48 H GLY 48 -10.986 -17.422 7.817 320 HA2 GLY 48 1HA GLY 48 -13.567 -17.329 8.926 321 HA3 GLY 48 2HA GLY 48 -13.642 -16.678 7.296 322 H GLY 49 H GLY 49 -15.151 -18.776 7.580 323 HA2 GLY 49 1HA GLY 49 -14.356 -21.343 7.568 324 HA3 GLY 49 2HA GLY 49 -15.551 -20.748 6.425 325 H SER 50 H SER 50 -13.543 -19.001 5.115 326 HA SER 50 HA SER 50 -12.411 -21.060 3.385 327 HB2 SER 50 1HB SER 50 -12.887 -18.103 3.075 328 HB3 SER 50 2HB SER 50 -11.846 -18.981 1.955 329 HG SER 50 HG SER 50 -14.171 -20.298 2.352 330 H HIS 51 H HIS 51 -11.149 -17.859 4.274 331 HA HIS 51 HA HIS 51 -8.449 -18.699 4.116 332 HB2 HIS 51 1HB HIS 51 -9.059 -16.376 3.737 333 HB3 HIS 51 2HB HIS 51 -9.670 -16.238 5.383 334 HD2 HIS 51 2HD HIS 51 -7.743 -15.793 7.335 335 HE1 HIS 51 1HE HIS 51 -4.435 -15.653 4.683 336 HE2 HIS 51 2HE HIS 51 -5.211 -15.345 7.059 337 H SER 52 H SER 52 -6.888 -18.835 5.810 338 HA SER 52 HA SER 52 -8.054 -19.683 8.380 339 HB2 SER 52 1HB SER 52 -6.976 -21.510 7.099 340 HB3 SER 52 2HB SER 52 -5.462 -20.606 7.115 341 HG SER 52 HG SER 52 -6.726 -21.091 9.557 342 H ASN 53 H ASN 53 -7.003 -19.106 10.302 343 HA ASN 53 HA ASN 53 -5.872 -16.527 10.344 344 HB2 ASN 53 1HB ASN 53 -7.138 -17.608 12.225 345 HB3 ASN 53 2HB ASN 53 -5.719 -18.602 12.538 346 HD21 ASN 53 1HD2 ASN 53 -6.873 -15.282 12.376 347 HD22 ASN 53 2HD2 ASN 53 -5.736 -14.640 13.508 348 H GLN 54 H GLN 54 -4.477 -19.678 10.046 349 HA GLN 54 HA GLN 54 -1.830 -18.936 10.848 350 HB2 GLN 54 1HB GLN 54 -2.990 -21.328 9.440 351 HB3 GLN 54 2HB GLN 54 -1.254 -21.139 9.649 352 HG2 GLN 54 1HG GLN 54 -1.446 -21.200 12.013 353 HG3 GLN 54 2HG GLN 54 -3.203 -21.080 11.935 354 HE21 GLN 54 1HE2 GLN 54 -4.399 -22.882 11.219 355 HE22 GLN 54 2HE2 GLN 54 -3.739 -24.477 11.284 356 H HIS 55 H HIS 55 -3.615 -19.012 7.840 357 HA HIS 55 HA HIS 55 -1.636 -18.936 5.944 358 HB2 HIS 55 1HB HIS 55 -4.324 -17.619 6.111 359 HB3 HIS 55 2HB HIS 55 -3.270 -17.283 4.740 360 HD2 HIS 55 2HD HIS 55 -3.022 -20.927 5.853 361 HE1 HIS 55 1HE HIS 55 -5.745 -20.810 2.602 362 HE2 HIS 55 2HE HIS 55 -4.443 -22.287 4.173 363 H GLN 56 H GLN 56 0.007 -17.628 5.494 364 HA GLN 56 HA GLN 56 0.376 -15.210 7.024 365 HB2 GLN 56 1HB GLN 56 2.042 -16.860 5.189 366 HB3 GLN 56 2HB GLN 56 2.486 -15.171 5.397 367 HG2 GLN 56 1HG GLN 56 2.419 -15.634 7.900 368 HG3 GLN 56 2HG GLN 56 2.381 -17.341 7.462 369 HE21 GLN 56 1HE2 GLN 56 4.154 -18.159 6.174 370 HE22 GLN 56 2HE2 GLN 56 5.721 -17.452 6.342 371 H MET 57 H MET 57 1.298 -13.253 5.785 372 HA MET 57 HA MET 57 -0.236 -12.802 3.317 373 HB2 MET 57 1HB MET 57 0.060 -10.799 5.561 374 HB3 MET 57 2HB MET 57 -0.835 -10.569 4.065 375 HG2 MET 57 1HG MET 57 -2.159 -12.666 4.874 376 HG3 MET 57 2HG MET 57 -1.524 -12.207 6.453 377 HE1 MET 57 1HE MET 57 -4.297 -10.168 3.631 378 HE2 MET 57 2HE MET 57 -3.662 -11.813 3.661 379 HE3 MET 57 3HE MET 57 -5.088 -11.400 4.614 380 H LYS 58 H LYS 58 0.841 -11.794 1.716 381 HA LYS 58 HA LYS 58 3.618 -11.022 2.258 382 HB2 LYS 58 1HB LYS 58 2.223 -11.647 -0.351 383 HB3 LYS 58 2HB LYS 58 3.918 -11.206 -0.196 384 HG2 LYS 58 1HG LYS 58 2.679 -13.618 1.108 385 HG3 LYS 58 2HG LYS 58 3.509 -13.643 -0.450 386 HD2 LYS 58 1HD LYS 58 4.809 -12.614 2.061 387 HD3 LYS 58 2HD LYS 58 4.879 -14.312 1.582 388 HE2 LYS 58 1HE LYS 58 6.143 -13.849 -0.317 389 HE3 LYS 58 2HE LYS 58 5.675 -12.150 -0.332 390 HZ1 LYS 58 1HZ LYS 58 8.010 -13.075 0.607 391 HZ2 LYS 58 2HZ LYS 58 7.108 -12.983 2.034 392 HZ3 LYS 58 3HZ LYS 58 7.312 -11.606 1.073 393 H GLU 59 H GLU 59 4.479 -9.069 1.471 394 HA GLU 59 HA GLU 59 2.519 -6.922 1.323 395 HB2 GLU 59 1HB GLU 59 4.360 -5.423 1.706 396 HB3 GLU 59 2HB GLU 59 4.493 -6.762 2.837 397 HG2 GLU 59 1HG GLU 59 6.128 -7.809 1.245 398 HG3 GLU 59 2HG GLU 59 6.109 -6.291 0.349 399 H TYR 60 H TYR 60 2.015 -5.829 -0.471 400 HA TYR 60 HA TYR 60 3.645 -6.303 -2.881 401 HB2 TYR 60 1HB TYR 60 0.673 -6.292 -2.500 402 HB3 TYR 60 2HB TYR 60 1.349 -5.817 -4.054 403 HD1 TYR 60 1HD TYR 60 1.556 -8.575 -1.544 404 HD2 TYR 60 2HD TYR 60 1.756 -7.452 -5.643 405 HE1 TYR 60 1HE TYR 60 1.746 -10.944 -2.177 406 HE2 TYR 60 2HE TYR 60 1.946 -9.817 -6.288 407 HH TYR 60 HH TYR 60 1.514 -12.392 -3.980 408 H THR 61 H THR 61 3.950 -4.583 -4.296 409 HA THR 61 HA THR 61 3.276 -1.938 -3.185 410 HB THR 61 HB THR 61 5.251 -1.098 -4.482 411 HG1 THR 61 1HG THR 61 5.684 -2.639 -5.971 412 HG21 THR 61 1HG2 THR 61 6.955 -2.332 -2.950 413 HG22 THR 61 2HG2 THR 61 5.518 -3.078 -2.251 414 HG23 THR 61 3HG2 THR 61 5.706 -1.325 -2.218 415 H SER 62 H SER 62 1.237 -2.002 -4.311 416 HA SER 62 HA SER 62 1.529 -1.312 -7.156 417 HB2 SER 62 1HB SER 62 -0.759 -2.914 -5.989 418 HB3 SER 62 2HB SER 62 -0.535 -2.482 -7.684 419 HG SER 62 HG SER 62 0.180 -4.672 -6.850 420 H TRP 63 H TRP 63 -0.830 -1.263 -4.481 421 HA TRP 63 HA TRP 63 -2.047 1.148 -5.505 422 HB2 TRP 63 1HB TRP 63 -3.672 0.882 -3.805 423 HB3 TRP 63 2HB TRP 63 -3.277 -0.754 -4.328 424 HD1 TRP 63 HD TRP 63 -0.499 -0.844 -2.548 425 HE1 TRP 63 1HE TRP 63 -0.738 -1.266 -0.021 426 HE3 TRP 63 3HE TRP 63 -5.394 0.509 -1.960 427 HZ2 TRP 63 2HZ TRP 63 -2.738 -1.054 1.960 428 HZ3 TRP 63 3HZ TRP 63 -6.394 0.370 0.283 429 HH2 TRP 63 HH TRP 63 -5.093 -0.396 2.202 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -20.949 -1.766 7.612 2 HA2 GLY 1 1HA GLY 1 -22.061 -3.979 6.000 3 HA3 GLY 1 2HA GLY 1 -23.089 -2.852 6.872 4 H SER 2 H SER 2 -24.142 -1.803 5.290 5 HA SER 2 HA SER 2 -23.468 -1.257 2.740 6 HB2 SER 2 1HB SER 2 -25.596 -0.592 4.012 7 HB3 SER 2 2HB SER 2 -24.740 0.892 4.431 8 HG SER 2 HG SER 2 -24.795 1.529 2.377 9 H SER 3 H SER 3 -22.385 0.336 1.583 10 HA SER 3 HA SER 3 -20.767 2.264 3.067 11 HB2 SER 3 1HB SER 3 -19.516 0.020 2.597 12 HB3 SER 3 2HB SER 3 -19.422 0.622 0.942 13 HG SER 3 HG SER 3 -18.241 2.350 1.638 14 H GLY 4 H GLY 4 -19.573 3.742 1.493 15 HA2 GLY 4 1HA GLY 4 -21.459 4.438 -0.651 16 HA3 GLY 4 2HA GLY 4 -20.313 5.537 0.103 17 H SER 5 H SER 5 -18.191 5.604 -0.613 18 HA SER 5 HA SER 5 -16.475 5.446 -2.099 19 HB2 SER 5 1HB SER 5 -16.722 2.980 -1.445 20 HB3 SER 5 2HB SER 5 -17.583 2.779 -2.971 21 HG SER 5 HG SER 5 -15.019 2.681 -2.641 22 H SER 6 H SER 6 -18.719 6.857 -2.905 23 HA SER 6 HA SER 6 -19.580 6.097 -5.517 24 HB2 SER 6 1HB SER 6 -20.637 8.304 -5.592 25 HB3 SER 6 2HB SER 6 -20.945 7.531 -4.037 26 HG SER 6 HG SER 6 -18.833 8.809 -3.532 27 H GLY 7 H GLY 7 -18.770 6.605 -7.475 28 HA2 GLY 7 1HA GLY 7 -17.572 8.345 -8.802 29 HA3 GLY 7 2HA GLY 7 -16.371 8.331 -7.519 30 H VAL 8 H VAL 8 -14.706 7.800 -8.957 31 HA VAL 8 HA VAL 8 -14.756 4.994 -9.852 32 HB VAL 8 HB VAL 8 -13.344 5.637 -11.781 33 HG11 VAL 8 1HG1 VAL 8 -15.230 5.682 -12.950 34 HG12 VAL 8 2HG1 VAL 8 -16.114 5.987 -11.454 35 HG13 VAL 8 3HG1 VAL 8 -15.552 7.339 -12.438 36 HG21 VAL 8 1HG2 VAL 8 -13.600 8.287 -10.508 37 HG22 VAL 8 2HG2 VAL 8 -12.285 7.612 -11.471 38 HG23 VAL 8 3HG2 VAL 8 -13.722 8.255 -12.267 39 H PHE 9 H PHE 9 -12.827 7.737 -8.766 40 HA PHE 9 HA PHE 9 -10.302 6.632 -8.723 41 HB2 PHE 9 1HB PHE 9 -11.653 8.620 -6.916 42 HB3 PHE 9 2HB PHE 9 -9.985 8.131 -6.639 43 HD1 PHE 9 1HD PHE 9 -12.270 9.788 -9.003 44 HD2 PHE 9 2HD PHE 9 -8.221 8.937 -8.002 45 HE1 PHE 9 1HE PHE 9 -11.515 11.449 -10.655 46 HE2 PHE 9 2HE PHE 9 -7.461 10.597 -9.651 47 HZ PHE 9 HZ PHE 9 -9.108 11.856 -10.980 48 H HIS 10 H HIS 10 -9.321 5.064 -7.615 49 HA HIS 10 HA HIS 10 -10.766 3.873 -5.342 50 HB2 HIS 10 1HB HIS 10 -9.279 1.837 -5.932 51 HB3 HIS 10 2HB HIS 10 -10.660 2.195 -6.964 52 HD1 HIS 10 1HD HIS 10 -9.565 1.022 -8.985 53 HD2 HIS 10 2HD HIS 10 -7.373 4.220 -7.491 54 HE1 HIS 10 1HE HIS 10 -7.818 1.512 -10.727 55 HA PRO 11 HA PRO 11 -6.956 5.723 -3.524 56 HB2 PRO 11 1HB PRO 11 -8.162 6.457 -1.204 57 HB3 PRO 11 2HB PRO 11 -8.188 7.459 -2.660 58 HG2 PRO 11 1HG PRO 11 -10.289 5.611 -1.594 59 HG3 PRO 11 2HG PRO 11 -10.472 7.237 -2.279 60 HD2 PRO 11 1HD PRO 11 -10.984 4.990 -3.701 61 HD3 PRO 11 2HD PRO 11 -10.355 6.471 -4.450 62 H VAL 12 H VAL 12 -6.161 5.341 -1.145 63 HA VAL 12 HA VAL 12 -5.617 2.659 -0.799 64 HB VAL 12 HB VAL 12 -5.678 4.813 1.319 65 HG11 VAL 12 1HG1 VAL 12 -3.845 2.537 1.619 66 HG12 VAL 12 2HG1 VAL 12 -4.812 3.387 2.826 67 HG13 VAL 12 3HG1 VAL 12 -5.554 2.149 1.812 68 HG21 VAL 12 1HG2 VAL 12 -3.430 5.233 0.822 69 HG22 VAL 12 2HG2 VAL 12 -3.259 3.739 -0.098 70 HG23 VAL 12 3HG2 VAL 12 -4.199 5.077 -0.758 71 H GLU 13 H GLU 13 -7.382 1.311 -0.877 72 HA GLU 13 HA GLU 13 -9.208 1.472 1.430 73 HB2 GLU 13 1HB GLU 13 -9.794 0.939 -1.458 74 HB3 GLU 13 2HB GLU 13 -10.807 0.207 -0.221 75 HG2 GLU 13 1HG GLU 13 -11.269 2.446 0.690 76 HG3 GLU 13 2HG GLU 13 -10.314 3.149 -0.614 77 H CYS 14 H CYS 14 -9.953 -0.526 2.282 78 HA CYS 14 HA CYS 14 -8.097 -2.743 1.761 79 HB2 CYS 14 1HB CYS 14 -8.555 -1.615 4.115 80 HB3 CYS 14 2HB CYS 14 -9.928 -2.717 4.120 81 H SER 15 H SER 15 -9.266 -4.934 2.513 82 HA SER 15 HA SER 15 -11.471 -5.242 0.633 83 HB2 SER 15 1HB SER 15 -9.618 -6.829 0.473 84 HB3 SER 15 2HB SER 15 -9.860 -7.308 2.153 85 HG SER 15 HG SER 15 -11.488 -7.807 -0.090 86 H TYR 16 H TYR 16 -10.758 -5.678 4.060 87 HA TYR 16 HA TYR 16 -13.566 -6.366 4.558 88 HB2 TYR 16 1HB TYR 16 -11.988 -7.897 5.561 89 HB3 TYR 16 2HB TYR 16 -11.116 -6.569 6.319 90 HD1 TYR 16 2HD TYR 16 -12.032 -5.436 8.277 91 HD2 TYR 16 1HD TYR 16 -14.079 -8.703 6.477 92 HE1 TYR 16 2HE TYR 16 -13.438 -5.653 10.283 93 HE2 TYR 16 1HE TYR 16 -15.491 -8.929 8.477 94 HH TYR 16 HH TYR 16 -15.039 -8.175 11.144 95 H CYS 17 H CYS 17 -11.156 -4.566 6.461 96 HA CYS 17 HA CYS 17 -13.011 -2.897 7.718 97 HB2 CYS 17 1HB CYS 17 -11.169 -1.708 8.581 98 HB3 CYS 17 2HB CYS 17 -10.566 -3.345 8.346 99 H HIS 18 H HIS 18 -11.882 -2.856 4.526 100 HA HIS 18 HA HIS 18 -11.862 -1.262 2.861 101 HB2 HIS 18 1HB HIS 18 -14.558 -1.255 4.143 102 HB3 HIS 18 2HB HIS 18 -14.224 -0.062 2.892 103 HD1 HIS 18 1HD HIS 18 -13.886 -0.939 0.478 104 HD2 HIS 18 2HD HIS 18 -14.805 -3.891 3.253 105 HE1 HIS 18 1HE HIS 18 -14.481 -2.973 -0.876 106 H SER 19 H SER 19 -10.302 -0.234 4.755 107 HA SER 19 HA SER 19 -11.124 2.212 5.889 108 HB2 SER 19 1HB SER 19 -8.991 0.697 6.305 109 HB3 SER 19 2HB SER 19 -8.264 1.791 5.129 110 HG SER 19 HG SER 19 -9.725 3.038 7.099 111 H GLU 20 H GLU 20 -9.789 4.292 5.304 112 HA GLU 20 HA GLU 20 -9.743 4.658 2.391 113 HB2 GLU 20 1HB GLU 20 -10.929 6.778 2.586 114 HB3 GLU 20 2HB GLU 20 -11.914 5.464 3.213 115 HG2 GLU 20 1HG GLU 20 -12.246 7.003 4.846 116 HG3 GLU 20 2HG GLU 20 -10.825 6.189 5.497 117 H SER 21 H SER 21 -8.919 6.017 5.559 118 HA SER 21 HA SER 21 -7.327 8.105 5.020 119 HB2 SER 21 1HB SER 21 -5.834 7.327 6.921 120 HB3 SER 21 2HB SER 21 -7.556 7.404 7.290 121 HG SER 21 HG SER 21 -6.468 5.442 7.976 122 H MET 22 H MET 22 -5.957 8.376 3.385 123 HA MET 22 HA MET 22 -4.647 6.498 1.894 124 HB2 MET 22 1HB MET 22 -4.796 9.004 1.493 125 HB3 MET 22 2HB MET 22 -3.414 9.167 2.569 126 HG2 MET 22 1HG MET 22 -2.200 7.567 1.036 127 HG3 MET 22 2HG MET 22 -3.538 7.782 -0.090 128 HE1 MET 22 1HE MET 22 -0.183 8.714 -0.635 129 HE2 MET 22 2HE MET 22 -1.550 8.243 -1.644 130 HE3 MET 22 3HE MET 22 -0.811 9.832 -1.846 131 H MET 23 H MET 23 -3.475 4.861 2.679 132 HA MET 23 HA MET 23 -1.066 5.493 4.187 133 HB2 MET 23 1HB MET 23 -3.196 3.591 5.165 134 HB3 MET 23 2HB MET 23 -1.547 3.589 5.776 135 HG2 MET 23 1HG MET 23 -3.386 5.967 5.875 136 HG3 MET 23 2HG MET 23 -3.164 4.820 7.195 137 HE1 MET 23 1HE MET 23 -0.863 6.940 9.146 138 HE2 MET 23 2HE MET 23 -2.573 6.616 8.856 139 HE3 MET 23 3HE MET 23 -1.449 5.277 9.089 140 H GLY 24 H GLY 24 0.629 4.289 3.553 141 HA2 GLY 24 1HA GLY 24 0.277 2.445 1.380 142 HA3 GLY 24 2HA GLY 24 1.800 2.891 2.134 143 H PHE 25 H PHE 25 -0.965 0.745 2.292 144 HA PHE 25 HA PHE 25 0.685 -1.243 3.623 145 HB2 PHE 25 1HB PHE 25 -1.969 -0.365 4.782 146 HB3 PHE 25 2HB PHE 25 -0.983 -1.702 5.365 147 HD1 PHE 25 1HD PHE 25 1.559 -0.959 5.850 148 HD2 PHE 25 2HD PHE 25 -1.851 1.585 5.967 149 HE1 PHE 25 1HE PHE 25 2.762 0.580 7.347 150 HE2 PHE 25 2HE PHE 25 -0.654 3.128 7.463 151 HZ PHE 25 HZ PHE 25 1.656 2.627 8.155 152 H ARG 26 H ARG 26 0.551 -2.777 2.101 153 HA ARG 26 HA ARG 26 -2.114 -3.795 1.431 154 HB2 ARG 26 1HB ARG 26 -1.221 -4.181 -0.937 155 HB3 ARG 26 2HB ARG 26 -1.670 -2.537 -0.504 156 HG2 ARG 26 1HG ARG 26 1.158 -3.493 -0.260 157 HG3 ARG 26 2HG ARG 26 0.510 -2.900 -1.790 158 HD2 ARG 26 1HD ARG 26 -0.283 -0.899 -0.239 159 HD3 ARG 26 2HD ARG 26 1.085 -1.440 0.732 160 HE ARG 26 HE ARG 26 2.524 -0.692 -0.909 161 HH11 ARG 26 2HH1 ARG 26 -0.763 -0.577 -2.050 162 HH12 ARG 26 1HH1 ARG 26 -0.379 0.355 -3.459 163 HH21 ARG 26 2HH2 ARG 26 3.043 0.535 -2.760 164 HH22 ARG 26 1HH2 ARG 26 1.787 0.987 -3.862 165 H TYR 27 H TYR 27 -2.079 -5.760 2.317 166 HA TYR 27 HA TYR 27 0.231 -7.493 1.736 167 HB2 TYR 27 1HB TYR 27 -1.424 -7.521 4.268 168 HB3 TYR 27 2HB TYR 27 -0.045 -8.555 3.912 169 HD1 TYR 27 1HD TYR 27 2.227 -7.425 3.575 170 HD2 TYR 27 2HD TYR 27 -1.118 -5.449 5.310 171 HE1 TYR 27 1HE TYR 27 3.737 -5.762 4.577 172 HE2 TYR 27 2HE TYR 27 0.382 -3.780 6.316 173 HH TYR 27 HH TYR 27 2.812 -2.875 5.690 174 H ARG 28 H ARG 28 -0.301 -9.171 0.522 175 HA ARG 28 HA ARG 28 -3.102 -10.050 0.466 176 HB2 ARG 28 1HB ARG 28 -1.822 -9.312 -1.650 177 HB3 ARG 28 2HB ARG 28 -0.992 -10.857 -1.518 178 HG2 ARG 28 1HG ARG 28 -3.495 -11.740 -1.358 179 HG3 ARG 28 2HG ARG 28 -3.789 -10.260 -2.273 180 HD2 ARG 28 1HD ARG 28 -1.769 -12.367 -3.027 181 HD3 ARG 28 2HD ARG 28 -3.398 -12.262 -3.694 182 HE ARG 28 HE ARG 28 -1.977 -9.814 -3.997 183 HH11 ARG 28 2HH1 ARG 28 -2.326 -13.017 -5.314 184 HH12 ARG 28 1HH1 ARG 28 -1.807 -12.562 -6.903 185 HH21 ARG 28 2HH2 ARG 28 -1.291 -9.202 -6.085 186 HH22 ARG 28 1HH2 ARG 28 -1.217 -10.392 -7.340 187 H CYS 29 H CYS 29 -3.655 -12.219 0.682 188 HA CYS 29 HA CYS 29 -2.082 -13.734 2.472 189 HB2 CYS 29 1HB CYS 29 -4.397 -14.107 2.608 190 HB3 CYS 29 2HB CYS 29 -4.557 -14.319 0.868 191 H GLN 30 H GLN 30 -1.335 -15.968 2.094 192 HA GLN 30 HA GLN 30 0.463 -16.071 -0.091 193 HB2 GLN 30 1HB GLN 30 -0.381 -18.116 1.957 194 HB3 GLN 30 2HB GLN 30 0.812 -18.464 0.713 195 HG2 GLN 30 1HG GLN 30 1.930 -16.273 1.649 196 HG3 GLN 30 2HG GLN 30 1.005 -16.696 3.089 197 HE21 GLN 30 1HE2 GLN 30 3.693 -17.456 1.096 198 HE22 GLN 30 2HE2 GLN 30 4.331 -18.738 2.063 199 H GLN 31 H GLN 31 -1.895 -18.613 0.680 200 HA GLN 31 HA GLN 31 -2.389 -18.899 -2.206 201 HB2 GLN 31 1HB GLN 31 -1.435 -20.810 -0.642 202 HB3 GLN 31 2HB GLN 31 -3.137 -21.031 -0.256 203 HG2 GLN 31 1HG GLN 31 -2.698 -22.531 -1.992 204 HG3 GLN 31 2HG GLN 31 -3.538 -21.180 -2.752 205 HE21 GLN 31 1HE2 GLN 31 -2.741 -21.319 -4.771 206 HE22 GLN 31 2HE2 GLN 31 -1.070 -21.150 -5.176 207 H CYS 32 H CYS 32 -4.159 -17.746 -2.694 208 HA CYS 32 HA CYS 32 -6.707 -18.600 -1.853 209 HB2 CYS 32 1HB CYS 32 -5.496 -16.326 -0.377 210 HB3 CYS 32 2HB CYS 32 -7.174 -16.137 -0.877 211 H HIS 33 H HIS 33 -8.384 -17.635 -3.037 212 HA HIS 33 HA HIS 33 -7.717 -16.693 -5.580 213 HB2 HIS 33 1HB HIS 33 -10.285 -16.685 -4.012 214 HB3 HIS 33 2HB HIS 33 -10.200 -15.996 -5.631 215 HD1 HIS 33 1HD HIS 33 -11.206 -17.624 -7.187 216 HD2 HIS 33 2HD HIS 33 -8.864 -19.492 -4.309 217 HE1 HIS 33 1HE HIS 33 -11.238 -20.068 -7.777 218 H ASN 34 H ASN 34 -9.672 -14.789 -3.302 219 HA ASN 34 HA ASN 34 -8.018 -12.442 -3.930 220 HB2 ASN 34 1HB ASN 34 -10.205 -11.113 -3.916 221 HB3 ASN 34 2HB ASN 34 -9.888 -12.107 -5.335 222 HD21 ASN 34 1HD2 ASN 34 -11.329 -13.606 -5.904 223 HD22 ASN 34 2HD2 ASN 34 -12.726 -14.038 -4.984 224 H TYR 35 H TYR 35 -7.043 -12.670 -1.884 225 HA TYR 35 HA TYR 35 -8.756 -11.776 0.331 226 HB2 TYR 35 1HB TYR 35 -8.058 -14.292 0.340 227 HB3 TYR 35 2HB TYR 35 -6.487 -13.673 0.837 228 HD1 TYR 35 2HD TYR 35 -10.073 -13.783 1.770 229 HD2 TYR 35 1HD TYR 35 -6.095 -13.016 3.069 230 HE1 TYR 35 2HE TYR 35 -10.860 -13.676 4.098 231 HE2 TYR 35 1HE TYR 35 -6.870 -12.909 5.400 232 HH TYR 35 HH TYR 35 -8.593 -13.238 6.785 233 H GLN 36 H GLN 36 -8.073 -9.719 0.520 234 HA GLN 36 HA GLN 36 -5.187 -9.291 0.923 235 HB2 GLN 36 1HB GLN 36 -7.182 -7.698 -0.638 236 HB3 GLN 36 2HB GLN 36 -5.827 -6.873 0.120 237 HG2 GLN 36 1HG GLN 36 -4.881 -7.291 -1.885 238 HG3 GLN 36 2HG GLN 36 -4.474 -8.810 -1.089 239 HE21 GLN 36 1HE2 GLN 36 -6.615 -7.250 -3.364 240 HE22 GLN 36 2HE2 GLN 36 -7.157 -8.693 -4.143 241 H LEU 37 H LEU 37 -4.587 -7.703 2.458 242 HA LEU 37 HA LEU 37 -6.644 -6.498 4.106 243 HB2 LEU 37 1HB LEU 37 -4.672 -8.476 5.239 244 HB3 LEU 37 2HB LEU 37 -5.741 -7.447 6.191 245 HG LEU 37 HG LEU 37 -6.675 -9.580 4.273 246 HD11 LEU 37 1HD1 LEU 37 -7.344 -10.246 6.905 247 HD12 LEU 37 2HD1 LEU 37 -5.643 -9.781 6.946 248 HD13 LEU 37 3HD1 LEU 37 -6.183 -11.055 5.853 249 HD21 LEU 37 1HD2 LEU 37 -8.244 -8.189 6.426 250 HD22 LEU 37 2HD2 LEU 37 -8.842 -9.189 5.102 251 HD23 LEU 37 3HD2 LEU 37 -8.175 -7.590 4.769 252 H CYS 38 H CYS 38 -5.706 -5.056 5.775 253 HA CYS 38 HA CYS 38 -3.221 -3.861 4.767 254 HB2 CYS 38 1HB CYS 38 -3.944 -1.812 5.894 255 HB3 CYS 38 2HB CYS 38 -5.192 -2.394 4.796 256 H GLN 39 H GLN 39 -2.072 -2.567 6.644 257 HA GLN 39 HA GLN 39 -0.746 -4.344 8.253 258 HB2 GLN 39 1HB GLN 39 0.071 -2.090 7.872 259 HB3 GLN 39 2HB GLN 39 -1.280 -1.416 8.773 260 HG2 GLN 39 1HG GLN 39 -0.439 -2.624 10.787 261 HG3 GLN 39 2HG GLN 39 0.987 -3.069 9.851 262 HE21 GLN 39 1HE2 GLN 39 2.379 -1.950 11.194 263 HE22 GLN 39 2HE2 GLN 39 2.453 -0.225 11.226 264 H ASP 40 H ASP 40 -3.484 -2.281 9.211 265 HA ASP 40 HA ASP 40 -3.691 -3.168 11.852 266 HB2 ASP 40 1HB ASP 40 -4.871 -1.191 10.728 267 HB3 ASP 40 2HB ASP 40 -6.061 -2.364 10.172 268 H CYS 41 H CYS 41 -5.850 -4.103 9.168 269 HA CYS 41 HA CYS 41 -7.280 -6.092 10.262 270 HB2 CYS 41 1HB CYS 41 -6.047 -5.883 7.533 271 HB3 CYS 41 2HB CYS 41 -6.999 -7.298 7.968 272 H PHE 42 H PHE 42 -4.030 -6.568 8.884 273 HA PHE 42 HA PHE 42 -3.790 -9.283 9.526 274 HB2 PHE 42 1HB PHE 42 -2.303 -7.844 8.003 275 HB3 PHE 42 2HB PHE 42 -1.460 -7.375 9.475 276 HD1 PHE 42 2HD PHE 42 -2.796 -10.617 8.196 277 HD2 PHE 42 1HD PHE 42 0.567 -8.430 9.618 278 HE1 PHE 42 2HE PHE 42 -1.416 -12.649 8.048 279 HE2 PHE 42 1HE PHE 42 1.953 -10.458 9.471 280 HZ PHE 42 HZ PHE 42 0.961 -12.572 8.686 281 H TRP 43 H TRP 43 -2.553 -6.436 11.275 282 HA TRP 43 HA TRP 43 -1.359 -7.651 13.416 283 HB2 TRP 43 1HB TRP 43 -2.841 -5.064 13.124 284 HB3 TRP 43 2HB TRP 43 -2.291 -5.567 14.720 285 HD1 TRP 43 HD TRP 43 -0.390 -5.854 11.351 286 HE1 TRP 43 1HE TRP 43 1.858 -4.626 11.605 287 HE3 TRP 43 3HE TRP 43 -1.000 -4.013 16.081 288 HZ2 TRP 43 2HZ TRP 43 3.195 -3.081 13.552 289 HZ3 TRP 43 3HZ TRP 43 0.811 -2.670 17.067 290 HH2 TRP 43 HH TRP 43 2.864 -2.215 15.827 291 H ARG 44 H ARG 44 -4.805 -6.853 13.081 292 HA ARG 44 HA ARG 44 -5.516 -7.952 15.620 293 HB2 ARG 44 1HB ARG 44 -7.231 -7.266 13.226 294 HB3 ARG 44 2HB ARG 44 -7.843 -7.679 14.822 295 HG2 ARG 44 1HG ARG 44 -6.509 -5.708 15.690 296 HG3 ARG 44 2HG ARG 44 -6.291 -5.245 14.000 297 HD2 ARG 44 1HD ARG 44 -8.930 -5.619 15.413 298 HD3 ARG 44 2HD ARG 44 -8.183 -4.074 15.011 299 HE ARG 44 HE ARG 44 -8.459 -5.604 12.671 300 HH11 ARG 44 2HH1 ARG 44 -10.389 -3.883 15.001 301 HH12 ARG 44 1HH1 ARG 44 -11.657 -3.521 13.877 302 HH21 ARG 44 2HH2 ARG 44 -10.121 -5.133 11.182 303 HH22 ARG 44 1HH2 ARG 44 -11.504 -4.233 11.705 304 H GLY 45 H GLY 45 -5.537 -9.127 12.292 305 HA2 GLY 45 1HA GLY 45 -5.285 -11.387 11.681 306 HA3 GLY 45 2HA GLY 45 -5.751 -11.856 13.310 307 H HIS 46 H HIS 46 -6.759 -11.559 10.113 308 HA HIS 46 HA HIS 46 -9.566 -11.959 10.917 309 HB2 HIS 46 1HB HIS 46 -8.425 -10.472 8.559 310 HB3 HIS 46 2HB HIS 46 -10.086 -11.056 8.570 311 HD1 HIS 46 1HD HIS 46 -10.951 -8.605 8.494 312 HD2 HIS 46 2HD HIS 46 -8.719 -9.538 11.871 313 HE1 HIS 46 1HE HIS 46 -11.361 -6.723 10.111 314 H ALA 47 H ALA 47 -10.791 -13.462 9.707 315 HA ALA 47 HA ALA 47 -9.766 -14.964 7.549 316 HB1 ALA 47 1HB ALA 47 -8.526 -16.525 8.516 317 HB2 ALA 47 2HB ALA 47 -8.781 -15.758 10.084 318 HB3 ALA 47 3HB ALA 47 -9.895 -17.005 9.521 319 H GLY 48 H GLY 48 -11.048 -17.286 7.629 320 HA2 GLY 48 1HA GLY 48 -13.589 -17.336 8.836 321 HA3 GLY 48 2HA GLY 48 -13.744 -16.612 7.242 322 H GLY 49 H GLY 49 -15.181 -18.743 7.414 323 HA2 GLY 49 1HA GLY 49 -14.270 -21.289 7.261 324 HA3 GLY 49 2HA GLY 49 -15.562 -20.692 6.230 325 H SER 50 H SER 50 -13.761 -18.794 4.867 326 HA SER 50 HA SER 50 -12.679 -20.688 2.944 327 HB2 SER 50 1HB SER 50 -12.960 -17.676 2.846 328 HB3 SER 50 2HB SER 50 -12.342 -18.667 1.525 329 HG SER 50 HG SER 50 -14.712 -19.601 2.455 330 H HIS 51 H HIS 51 -11.419 -17.587 4.165 331 HA HIS 51 HA HIS 51 -8.710 -18.403 3.744 332 HB2 HIS 51 1HB HIS 51 -9.333 -16.064 3.497 333 HB3 HIS 51 2HB HIS 51 -9.860 -15.999 5.176 334 HD2 HIS 51 2HD HIS 51 -7.892 -15.399 6.985 335 HE1 HIS 51 1HE HIS 51 -4.624 -15.571 4.285 336 HE2 HIS 51 2HE HIS 51 -5.349 -15.070 6.644 337 H SER 52 H SER 52 -7.147 -18.938 5.239 338 HA SER 52 HA SER 52 -8.173 -19.779 7.861 339 HB2 SER 52 1HB SER 52 -7.274 -21.659 6.750 340 HB3 SER 52 2HB SER 52 -5.883 -20.750 6.160 341 HG SER 52 HG SER 52 -6.273 -22.006 8.570 342 H ASN 53 H ASN 53 -7.340 -18.998 9.718 343 HA ASN 53 HA ASN 53 -6.011 -16.569 9.801 344 HB2 ASN 53 1HB ASN 53 -5.801 -16.894 12.163 345 HB3 ASN 53 2HB ASN 53 -7.317 -17.643 11.671 346 HD21 ASN 53 1HD2 ASN 53 -4.555 -18.045 13.436 347 HD22 ASN 53 2HD2 ASN 53 -4.575 -19.765 13.598 348 H GLN 54 H GLN 54 -4.733 -19.805 9.614 349 HA GLN 54 HA GLN 54 -2.078 -19.215 10.405 350 HB2 GLN 54 1HB GLN 54 -3.141 -21.506 10.269 351 HB3 GLN 54 2HB GLN 54 -2.938 -21.413 8.525 352 HG2 GLN 54 1HG GLN 54 -0.511 -21.173 8.843 353 HG3 GLN 54 2HG GLN 54 -0.743 -21.342 10.583 354 HE21 GLN 54 1HE2 GLN 54 0.879 -23.102 9.936 355 HE22 GLN 54 2HE2 GLN 54 0.204 -24.659 9.614 356 H HIS 55 H HIS 55 -3.781 -19.059 7.344 357 HA HIS 55 HA HIS 55 -1.725 -18.918 5.529 358 HB2 HIS 55 1HB HIS 55 -4.355 -17.448 5.631 359 HB3 HIS 55 2HB HIS 55 -3.255 -17.299 4.264 360 HD2 HIS 55 2HD HIS 55 -3.125 -20.879 5.374 361 HE1 HIS 55 1HE HIS 55 -6.206 -20.700 2.463 362 HE2 HIS 55 2HE HIS 55 -4.768 -22.206 3.881 363 H GLN 56 H GLN 56 0.021 -17.686 5.402 364 HA GLN 56 HA GLN 56 0.273 -15.295 6.981 365 HB2 GLN 56 1HB GLN 56 2.084 -17.083 6.390 366 HB3 GLN 56 2HB GLN 56 2.276 -16.140 4.918 367 HG2 GLN 56 1HG GLN 56 3.899 -15.328 6.390 368 HG3 GLN 56 2HG GLN 56 2.608 -14.128 6.416 369 HE21 GLN 56 1HE2 GLN 56 4.127 -16.739 8.171 370 HE22 GLN 56 2HE2 GLN 56 3.507 -16.315 9.726 371 H MET 57 H MET 57 0.905 -13.216 6.123 372 HA MET 57 HA MET 57 -0.121 -12.734 3.403 373 HB2 MET 57 1HB MET 57 -0.288 -10.705 5.618 374 HB3 MET 57 2HB MET 57 -1.161 -10.734 4.092 375 HG2 MET 57 1HG MET 57 -1.577 -12.923 6.072 376 HG3 MET 57 2HG MET 57 -2.363 -11.363 6.307 377 HE1 MET 57 1HE MET 57 -4.294 -10.607 5.367 378 HE2 MET 57 2HE MET 57 -3.753 -10.300 3.717 379 HE3 MET 57 3HE MET 57 -5.211 -11.252 4.005 380 H LYS 58 H LYS 58 1.168 -11.630 2.055 381 HA LYS 58 HA LYS 58 3.605 -10.416 3.185 382 HB2 LYS 58 1HB LYS 58 3.155 -12.149 0.814 383 HB3 LYS 58 2HB LYS 58 4.338 -10.859 0.643 384 HG2 LYS 58 1HG LYS 58 5.671 -12.569 1.360 385 HG3 LYS 58 2HG LYS 58 5.257 -11.815 2.901 386 HD2 LYS 58 1HD LYS 58 3.527 -13.464 3.283 387 HD3 LYS 58 2HD LYS 58 3.813 -14.175 1.693 388 HE2 LYS 58 1HE LYS 58 5.837 -14.047 3.926 389 HE3 LYS 58 2HE LYS 58 4.856 -15.457 3.532 390 HZ1 LYS 58 1HZ LYS 58 6.256 -14.409 1.262 391 HZ2 LYS 58 2HZ LYS 58 6.200 -15.991 1.858 392 HZ3 LYS 58 3HZ LYS 58 7.305 -14.885 2.502 393 H GLU 59 H GLU 59 4.469 -8.564 2.056 394 HA GLU 59 HA GLU 59 2.463 -6.671 1.387 395 HB2 GLU 59 1HB GLU 59 4.256 -5.109 1.085 396 HB3 GLU 59 2HB GLU 59 4.652 -6.124 2.465 397 HG2 GLU 59 1HG GLU 59 6.656 -6.119 1.399 398 HG3 GLU 59 2HG GLU 59 5.922 -7.532 0.643 399 H TYR 60 H TYR 60 1.723 -5.969 -0.538 400 HA TYR 60 HA TYR 60 3.104 -6.561 -3.002 401 HB2 TYR 60 1HB TYR 60 0.396 -7.797 -2.458 402 HB3 TYR 60 2HB TYR 60 1.232 -7.812 -4.007 403 HD1 TYR 60 2HD TYR 60 3.719 -8.790 -3.857 404 HD2 TYR 60 1HD TYR 60 0.569 -9.679 -1.139 405 HE1 TYR 60 2HE TYR 60 4.860 -10.875 -3.225 406 HE2 TYR 60 1HE TYR 60 1.702 -11.766 -0.499 407 HH TYR 60 HH TYR 60 3.351 -13.219 -1.079 408 H THR 61 H THR 61 2.788 -4.942 -4.380 409 HA THR 61 HA THR 61 0.960 -2.829 -3.730 410 HB THR 61 HB THR 61 2.608 -3.122 -6.247 411 HG1 THR 61 1HG THR 61 3.934 -1.546 -4.825 412 HG21 THR 61 1HG2 THR 61 2.383 -0.445 -5.400 413 HG22 THR 61 2HG2 THR 61 0.764 -1.138 -5.300 414 HG23 THR 61 3HG2 THR 61 1.654 -1.192 -6.821 415 H SER 62 H SER 62 -1.037 -4.049 -3.881 416 HA SER 62 HA SER 62 -1.876 -4.929 -6.517 417 HB2 SER 62 1HB SER 62 -3.477 -4.831 -3.950 418 HB3 SER 62 2HB SER 62 -3.890 -5.716 -5.418 419 HG SER 62 HG SER 62 -2.926 -7.237 -4.247 420 H TRP 63 H TRP 63 -3.397 -2.807 -4.085 421 HA TRP 63 HA TRP 63 -4.705 -1.336 -6.239 422 HB2 TRP 63 1HB TRP 63 -6.089 -0.357 -4.512 423 HB3 TRP 63 2HB TRP 63 -6.020 -2.101 -4.270 424 HD1 TRP 63 HD TRP 63 -3.849 0.864 -2.976 425 HE1 TRP 63 1HE TRP 63 -3.495 0.527 -0.449 426 HE3 TRP 63 3HE TRP 63 -6.492 -3.469 -2.356 427 HZ2 TRP 63 2HZ TRP 63 -4.237 -1.330 1.544 428 HZ3 TRP 63 3HZ TRP 63 -6.620 -4.461 -0.108 429 HH2 TRP 63 HH TRP 63 -5.515 -3.412 1.800 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -20.960 3.290 3.109 2 HA2 GLY 1 1HA GLY 1 -18.297 3.282 1.864 3 HA3 GLY 1 2HA GLY 1 -19.700 2.904 0.876 4 H SER 2 H SER 2 -18.888 4.773 -0.371 5 HA SER 2 HA SER 2 -20.426 7.091 0.207 6 HB2 SER 2 1HB SER 2 -18.731 8.698 0.654 7 HB3 SER 2 2HB SER 2 -18.413 7.352 1.749 8 HG SER 2 HG SER 2 -16.629 6.887 0.686 9 H SER 3 H SER 3 -19.855 8.900 -1.405 10 HA SER 3 HA SER 3 -20.149 7.982 -3.984 11 HB2 SER 3 1HB SER 3 -18.904 10.603 -3.117 12 HB3 SER 3 2HB SER 3 -19.556 10.259 -4.719 13 HG SER 3 HG SER 3 -21.524 9.664 -3.272 14 H GLY 4 H GLY 4 -18.712 8.094 -5.841 15 HA2 GLY 4 1HA GLY 4 -15.856 8.104 -5.352 16 HA3 GLY 4 2HA GLY 4 -16.520 6.535 -5.780 17 H SER 5 H SER 5 -14.584 7.854 -7.313 18 HA SER 5 HA SER 5 -15.824 7.781 -9.873 19 HB2 SER 5 1HB SER 5 -15.658 10.032 -10.566 20 HB3 SER 5 2HB SER 5 -16.389 10.119 -8.963 21 HG SER 5 HG SER 5 -14.334 10.621 -8.126 22 H SER 6 H SER 6 -14.321 7.725 -11.573 23 HA SER 6 HA SER 6 -11.733 6.795 -10.833 24 HB2 SER 6 1HB SER 6 -13.235 6.215 -12.918 25 HB3 SER 6 2HB SER 6 -12.386 7.577 -13.649 26 HG SER 6 HG SER 6 -11.503 5.060 -13.142 27 H GLY 7 H GLY 7 -9.750 7.669 -12.061 28 HA2 GLY 7 1HA GLY 7 -8.908 9.812 -13.084 29 HA3 GLY 7 2HA GLY 7 -9.737 10.608 -11.753 30 H VAL 8 H VAL 8 -8.846 10.561 -9.692 31 HA VAL 8 HA VAL 8 -6.141 10.742 -9.403 32 HB VAL 8 HB VAL 8 -6.441 10.383 -6.991 33 HG11 VAL 8 1HG1 VAL 8 -7.599 12.358 -8.563 34 HG12 VAL 8 2HG1 VAL 8 -8.858 11.914 -7.410 35 HG13 VAL 8 3HG1 VAL 8 -7.277 12.440 -6.832 36 HG21 VAL 8 1HG2 VAL 8 -9.187 9.451 -7.806 37 HG22 VAL 8 2HG2 VAL 8 -7.950 8.531 -6.951 38 HG23 VAL 8 3HG2 VAL 8 -8.748 9.887 -6.155 39 H PHE 9 H PHE 9 -4.471 9.404 -8.702 40 HA PHE 9 HA PHE 9 -4.267 6.885 -9.757 41 HB2 PHE 9 1HB PHE 9 -2.868 7.814 -7.242 42 HB3 PHE 9 2HB PHE 9 -2.321 6.555 -8.345 43 HD1 PHE 9 1HD PHE 9 -2.834 10.177 -7.944 44 HD2 PHE 9 2HD PHE 9 -1.170 7.087 -10.352 45 HE1 PHE 9 1HE PHE 9 -1.584 11.859 -9.233 46 HE2 PHE 9 2HE PHE 9 0.083 8.764 -11.645 47 HZ PHE 9 HZ PHE 9 -0.123 11.153 -11.085 48 H HIS 10 H HIS 10 -3.922 4.799 -8.538 49 HA HIS 10 HA HIS 10 -6.289 3.932 -7.385 50 HB2 HIS 10 1HB HIS 10 -3.495 2.799 -7.201 51 HB3 HIS 10 2HB HIS 10 -4.916 1.963 -6.581 52 HD1 HIS 10 1HD HIS 10 -3.023 1.018 -8.982 53 HD2 HIS 10 2HD HIS 10 -6.780 2.759 -9.314 54 HE1 HIS 10 1HE HIS 10 -3.903 0.296 -11.224 55 HA PRO 11 HA PRO 11 -5.846 5.859 -3.367 56 HB2 PRO 11 1HB PRO 11 -8.299 5.118 -2.471 57 HB3 PRO 11 2HB PRO 11 -8.050 6.476 -3.575 58 HG2 PRO 11 1HG PRO 11 -8.912 3.674 -4.182 59 HG3 PRO 11 2HG PRO 11 -9.539 5.203 -4.828 60 HD2 PRO 11 1HD PRO 11 -7.805 3.641 -6.203 61 HD3 PRO 11 2HD PRO 11 -7.818 5.411 -6.347 62 H VAL 12 H VAL 12 -5.719 5.130 -1.188 63 HA VAL 12 HA VAL 12 -4.998 2.321 -0.974 64 HB VAL 12 HB VAL 12 -4.749 4.562 1.038 65 HG11 VAL 12 1HG1 VAL 12 -3.030 2.273 1.442 66 HG12 VAL 12 2HG1 VAL 12 -4.120 3.077 2.573 67 HG13 VAL 12 3HG1 VAL 12 -4.733 1.820 1.498 68 HG21 VAL 12 1HG2 VAL 12 -3.327 4.893 -0.907 69 HG22 VAL 12 2HG2 VAL 12 -2.354 4.465 0.500 70 HG23 VAL 12 3HG2 VAL 12 -2.689 3.257 -0.741 71 H GLU 13 H GLU 13 -7.122 1.425 -1.113 72 HA GLU 13 HA GLU 13 -8.668 1.728 1.378 73 HB2 GLU 13 1HB GLU 13 -9.576 1.543 -1.466 74 HB3 GLU 13 2HB GLU 13 -10.604 0.895 -0.195 75 HG2 GLU 13 1HG GLU 13 -10.179 3.252 0.890 76 HG3 GLU 13 2HG GLU 13 -9.853 3.708 -0.781 77 H CYS 14 H CYS 14 -8.868 -0.059 2.551 78 HA CYS 14 HA CYS 14 -7.684 -2.504 1.773 79 HB2 CYS 14 1HB CYS 14 -8.239 -1.477 4.152 80 HB3 CYS 14 2HB CYS 14 -9.709 -2.427 3.965 81 H SER 15 H SER 15 -9.102 -4.607 2.227 82 HA SER 15 HA SER 15 -11.207 -4.525 0.205 83 HB2 SER 15 1HB SER 15 -9.633 -6.765 1.467 84 HB3 SER 15 2HB SER 15 -11.057 -7.074 0.475 85 HG SER 15 HG SER 15 -8.530 -6.268 -0.262 86 H TYR 16 H TYR 16 -10.725 -5.137 3.610 87 HA TYR 16 HA TYR 16 -13.593 -5.730 3.903 88 HB2 TYR 16 1HB TYR 16 -12.013 -7.450 4.764 89 HB3 TYR 16 2HB TYR 16 -11.363 -6.254 5.879 90 HD1 TYR 16 2HD TYR 16 -13.225 -5.065 7.376 91 HD2 TYR 16 1HD TYR 16 -13.629 -8.890 5.557 92 HE1 TYR 16 2HE TYR 16 -14.948 -5.661 9.026 93 HE2 TYR 16 1HE TYR 16 -15.355 -9.496 7.202 94 HH TYR 16 HH TYR 16 -16.637 -8.776 8.876 95 H CYS 17 H CYS 17 -11.146 -4.385 6.107 96 HA CYS 17 HA CYS 17 -12.923 -2.677 7.435 97 HB2 CYS 17 1HB CYS 17 -11.071 -1.859 8.593 98 HB3 CYS 17 2HB CYS 17 -10.545 -3.467 8.106 99 H HIS 18 H HIS 18 -11.570 -2.419 4.347 100 HA HIS 18 HA HIS 18 -11.275 -0.678 2.870 101 HB2 HIS 18 1HB HIS 18 -14.012 -0.322 4.060 102 HB3 HIS 18 2HB HIS 18 -13.432 0.760 2.797 103 HD1 HIS 18 1HD HIS 18 -12.772 -0.458 0.483 104 HD2 HIS 18 2HD HIS 18 -15.039 -2.682 3.161 105 HE1 HIS 18 1HE HIS 18 -13.740 -2.348 -0.864 106 H SER 19 H SER 19 -9.723 -0.068 4.954 107 HA SER 19 HA SER 19 -10.343 2.399 6.225 108 HB2 SER 19 1HB SER 19 -8.733 0.800 7.180 109 HB3 SER 19 2HB SER 19 -7.653 1.069 5.812 110 HG SER 19 HG SER 19 -8.249 2.734 7.973 111 H GLU 20 H GLU 20 -8.810 4.322 5.990 112 HA GLU 20 HA GLU 20 -8.210 4.812 3.150 113 HB2 GLU 20 1HB GLU 20 -9.038 7.105 3.391 114 HB3 GLU 20 2HB GLU 20 -10.307 5.934 3.719 115 HG2 GLU 20 1HG GLU 20 -9.787 6.234 6.166 116 HG3 GLU 20 2HG GLU 20 -8.777 7.599 5.693 117 H SER 21 H SER 21 -7.647 5.875 6.489 118 HA SER 21 HA SER 21 -5.650 7.663 6.283 119 HB2 SER 21 1HB SER 21 -6.632 6.347 8.365 120 HB3 SER 21 2HB SER 21 -5.147 5.413 8.183 121 HG SER 21 HG SER 21 -5.384 8.212 8.581 122 H MET 22 H MET 22 -3.452 7.717 5.923 123 HA MET 22 HA MET 22 -2.415 5.605 4.250 124 HB2 MET 22 1HB MET 22 -1.597 8.372 4.964 125 HB3 MET 22 2HB MET 22 -0.330 7.267 4.448 126 HG2 MET 22 1HG MET 22 -1.016 8.390 2.512 127 HG3 MET 22 2HG MET 22 -1.752 6.792 2.417 128 HE1 MET 22 1HE MET 22 -3.068 7.369 0.690 129 HE2 MET 22 2HE MET 22 -4.750 7.845 0.930 130 HE3 MET 22 3HE MET 22 -3.551 9.049 0.456 131 H MET 23 H MET 23 -2.856 4.625 6.785 132 HA MET 23 HA MET 23 -0.118 4.291 7.823 133 HB2 MET 23 1HB MET 23 -2.728 4.165 9.343 134 HB3 MET 23 2HB MET 23 -1.147 3.807 10.025 135 HG2 MET 23 1HG MET 23 -2.049 6.458 8.924 136 HG3 MET 23 2HG MET 23 -1.866 6.039 10.625 137 HE1 MET 23 1HE MET 23 0.587 8.379 10.808 138 HE2 MET 23 2HE MET 23 -0.587 7.321 11.590 139 HE3 MET 23 3HE MET 23 1.136 6.957 11.696 140 H GLY 24 H GLY 24 -0.942 2.730 5.722 141 HA2 GLY 24 1HA GLY 24 -0.659 0.109 6.835 142 HA3 GLY 24 2HA GLY 24 -2.274 0.374 6.195 143 H PHE 25 H PHE 25 -1.124 -1.593 4.995 144 HA PHE 25 HA PHE 25 -0.403 -0.525 2.375 145 HB2 PHE 25 1HB PHE 25 1.299 -2.339 4.046 146 HB3 PHE 25 2HB PHE 25 1.330 -2.493 2.292 147 HD1 PHE 25 1HD PHE 25 1.215 0.194 1.312 148 HD2 PHE 25 2HD PHE 25 3.237 -1.324 4.736 149 HE1 PHE 25 1HE PHE 25 2.827 2.048 1.178 150 HE2 PHE 25 2HE PHE 25 4.852 0.528 4.608 151 HZ PHE 25 HZ PHE 25 4.648 2.218 2.828 152 H ARG 26 H ARG 26 -0.055 -2.663 0.889 153 HA ARG 26 HA ARG 26 -2.590 -4.101 1.155 154 HB2 ARG 26 1HB ARG 26 -1.761 -2.834 -0.977 155 HB3 ARG 26 2HB ARG 26 -0.803 -4.284 -1.243 156 HG2 ARG 26 1HG ARG 26 -2.813 -4.509 -2.485 157 HG3 ARG 26 2HG ARG 26 -2.916 -5.609 -1.109 158 HD2 ARG 26 1HD ARG 26 -4.357 -4.104 0.069 159 HD3 ARG 26 2HD ARG 26 -4.117 -2.846 -1.144 160 HE ARG 26 HE ARG 26 -5.882 -5.125 -1.319 161 HH11 ARG 26 2HH1 ARG 26 -4.186 -2.629 -3.056 162 HH12 ARG 26 1HH1 ARG 26 -5.244 -2.683 -4.427 163 HH21 ARG 26 2HH2 ARG 26 -7.282 -5.205 -3.119 164 HH22 ARG 26 1HH2 ARG 26 -7.005 -4.148 -4.461 165 H TYR 27 H TYR 27 -2.447 -5.950 2.246 166 HA TYR 27 HA TYR 27 -0.089 -7.660 1.806 167 HB2 TYR 27 1HB TYR 27 -1.967 -7.587 4.177 168 HB3 TYR 27 2HB TYR 27 -0.591 -8.669 3.998 169 HD1 TYR 27 1HD TYR 27 1.724 -7.505 3.640 170 HD2 TYR 27 2HD TYR 27 -1.689 -5.572 5.288 171 HE1 TYR 27 1HE TYR 27 3.186 -5.822 4.678 172 HE2 TYR 27 2HE TYR 27 -0.236 -3.883 6.330 173 HH TYR 27 HH TYR 27 2.149 -2.937 5.816 174 H ARG 28 H ARG 28 -0.515 -9.230 0.406 175 HA ARG 28 HA ARG 28 -3.215 -10.372 0.308 176 HB2 ARG 28 1HB ARG 28 -1.979 -9.465 -1.769 177 HB3 ARG 28 2HB ARG 28 -1.017 -10.933 -1.665 178 HG2 ARG 28 1HG ARG 28 -4.012 -11.013 -1.767 179 HG3 ARG 28 2HG ARG 28 -3.026 -10.941 -3.229 180 HD2 ARG 28 1HD ARG 28 -1.773 -12.944 -2.019 181 HD3 ARG 28 2HD ARG 28 -3.348 -13.133 -1.251 182 HE ARG 28 HE ARG 28 -4.232 -13.812 -3.270 183 HH11 ARG 28 2HH1 ARG 28 -1.001 -12.597 -3.722 184 HH12 ARG 28 1HH1 ARG 28 -0.868 -13.183 -5.347 185 HH21 ARG 28 2HH2 ARG 28 -4.069 -14.588 -5.409 186 HH22 ARG 28 1HH2 ARG 28 -2.614 -14.314 -6.306 187 H CYS 29 H CYS 29 -3.598 -12.285 1.195 188 HA CYS 29 HA CYS 29 -1.871 -13.768 2.696 189 HB2 CYS 29 1HB CYS 29 -4.177 -14.263 2.872 190 HB3 CYS 29 2HB CYS 29 -4.318 -14.604 1.150 191 H GLN 30 H GLN 30 -0.973 -15.947 2.338 192 HA GLN 30 HA GLN 30 0.751 -15.966 0.085 193 HB2 GLN 30 1HB GLN 30 0.154 -18.102 2.138 194 HB3 GLN 30 2HB GLN 30 1.438 -18.208 0.941 195 HG2 GLN 30 1HG GLN 30 2.228 -15.960 1.950 196 HG3 GLN 30 2HG GLN 30 1.217 -16.419 3.320 197 HE21 GLN 30 1HE2 GLN 30 4.257 -16.310 2.495 198 HE22 GLN 30 2HE2 GLN 30 4.877 -17.744 3.233 199 H GLN 31 H GLN 31 -1.408 -18.626 1.044 200 HA GLN 31 HA GLN 31 -1.945 -19.091 -1.811 201 HB2 GLN 31 1HB GLN 31 -0.842 -20.863 -0.209 202 HB3 GLN 31 2HB GLN 31 -2.504 -21.141 0.294 203 HG2 GLN 31 1HG GLN 31 -2.025 -22.725 -1.385 204 HG3 GLN 31 2HG GLN 31 -3.070 -21.511 -2.119 205 HE21 GLN 31 1HE2 GLN 31 -1.280 -23.347 -3.430 206 HE22 GLN 31 2HE2 GLN 31 -0.139 -22.392 -4.306 207 H CYS 32 H CYS 32 -3.788 -18.074 -2.324 208 HA CYS 32 HA CYS 32 -6.266 -19.019 -1.378 209 HB2 CYS 32 1HB CYS 32 -5.158 -16.602 -0.058 210 HB3 CYS 32 2HB CYS 32 -6.853 -16.535 -0.529 211 H HIS 33 H HIS 33 -8.114 -17.673 -2.250 212 HA HIS 33 HA HIS 33 -7.533 -17.006 -4.980 213 HB2 HIS 33 1HB HIS 33 -10.008 -17.211 -3.314 214 HB3 HIS 33 2HB HIS 33 -10.083 -16.343 -4.844 215 HD1 HIS 33 1HD HIS 33 -11.356 -19.234 -3.981 216 HD2 HIS 33 2HD HIS 33 -8.191 -18.477 -6.563 217 HE1 HIS 33 1HE HIS 33 -11.221 -21.244 -5.486 218 H ASN 34 H ASN 34 -9.495 -15.124 -2.689 219 HA ASN 34 HA ASN 34 -7.980 -12.724 -3.456 220 HB2 ASN 34 1HB ASN 34 -10.100 -11.448 -3.543 221 HB3 ASN 34 2HB ASN 34 -10.031 -12.713 -4.767 222 HD21 ASN 34 1HD2 ASN 34 -11.276 -14.601 -4.471 223 HD22 ASN 34 2HD2 ASN 34 -12.667 -14.597 -3.445 224 H TYR 35 H TYR 35 -6.895 -12.778 -1.471 225 HA TYR 35 HA TYR 35 -8.548 -11.947 0.813 226 HB2 TYR 35 1HB TYR 35 -7.577 -14.413 0.795 227 HB3 TYR 35 2HB TYR 35 -6.112 -13.594 1.327 228 HD1 TYR 35 2HD TYR 35 -9.663 -14.206 2.173 229 HD2 TYR 35 1HD TYR 35 -5.883 -12.827 3.555 230 HE1 TYR 35 2HE TYR 35 -10.520 -14.184 4.478 231 HE2 TYR 35 1HE TYR 35 -6.729 -12.802 5.864 232 HH TYR 35 HH TYR 35 -9.876 -12.853 6.669 233 H GLN 36 H GLN 36 -8.016 -9.840 0.903 234 HA GLN 36 HA GLN 36 -5.153 -9.185 1.134 235 HB2 GLN 36 1HB GLN 36 -7.312 -7.886 -0.444 236 HB3 GLN 36 2HB GLN 36 -6.128 -6.833 0.320 237 HG2 GLN 36 1HG GLN 36 -4.394 -7.620 -0.966 238 HG3 GLN 36 2HG GLN 36 -5.195 -9.156 -1.296 239 HE21 GLN 36 1HE2 GLN 36 -4.090 -7.950 -3.376 240 HE22 GLN 36 2HE2 GLN 36 -5.279 -7.232 -4.403 241 H LEU 37 H LEU 37 -4.551 -7.738 2.719 242 HA LEU 37 HA LEU 37 -6.582 -6.461 4.354 243 HB2 LEU 37 1HB LEU 37 -4.629 -8.445 5.512 244 HB3 LEU 37 2HB LEU 37 -5.716 -7.414 6.441 245 HG LEU 37 HG LEU 37 -6.609 -9.568 4.527 246 HD11 LEU 37 1HD1 LEU 37 -7.234 -10.791 6.588 247 HD12 LEU 37 2HD1 LEU 37 -6.374 -9.575 7.531 248 HD13 LEU 37 3HD1 LEU 37 -5.492 -10.593 6.392 249 HD21 LEU 37 1HD2 LEU 37 -8.794 -9.181 5.327 250 HD22 LEU 37 2HD2 LEU 37 -8.132 -7.590 4.952 251 HD23 LEU 37 3HD2 LEU 37 -8.217 -8.138 6.627 252 H CYS 38 H CYS 38 -5.692 -4.910 5.862 253 HA CYS 38 HA CYS 38 -3.151 -3.824 4.893 254 HB2 CYS 38 1HB CYS 38 -3.848 -1.724 5.904 255 HB3 CYS 38 2HB CYS 38 -5.133 -2.344 4.872 256 H GLN 39 H GLN 39 -1.997 -2.494 6.740 257 HA GLN 39 HA GLN 39 -0.694 -4.219 8.403 258 HB2 GLN 39 1HB GLN 39 -0.266 -1.705 7.885 259 HB3 GLN 39 2HB GLN 39 -1.230 -1.416 9.327 260 HG2 GLN 39 1HG GLN 39 0.396 -3.065 10.464 261 HG3 GLN 39 2HG GLN 39 1.434 -2.743 9.075 262 HE21 GLN 39 1HE2 GLN 39 3.016 -1.571 9.977 263 HE22 GLN 39 2HE2 GLN 39 2.785 -0.072 10.803 264 H ASP 40 H ASP 40 -3.511 -2.226 9.258 265 HA ASP 40 HA ASP 40 -3.729 -3.106 11.920 266 HB2 ASP 40 1HB ASP 40 -5.606 -1.808 9.979 267 HB3 ASP 40 2HB ASP 40 -6.227 -2.412 11.512 268 H CYS 41 H CYS 41 -5.834 -3.998 9.178 269 HA CYS 41 HA CYS 41 -7.311 -5.980 10.235 270 HB2 CYS 41 1HB CYS 41 -6.032 -5.761 7.526 271 HB3 CYS 41 2HB CYS 41 -7.021 -7.159 7.933 272 H PHE 42 H PHE 42 -4.037 -6.457 8.920 273 HA PHE 42 HA PHE 42 -3.829 -9.186 9.512 274 HB2 PHE 42 1HB PHE 42 -2.297 -7.829 8.027 275 HB3 PHE 42 2HB PHE 42 -1.535 -7.222 9.494 276 HD1 PHE 42 2HD PHE 42 -2.671 -10.603 8.394 277 HD2 PHE 42 1HD PHE 42 0.531 -8.167 9.782 278 HE1 PHE 42 2HE PHE 42 -1.195 -12.572 8.436 279 HE2 PHE 42 1HE PHE 42 2.012 -10.131 9.825 280 HZ PHE 42 HZ PHE 42 1.149 -12.337 9.153 281 H TRP 43 H TRP 43 -2.366 -6.463 11.297 282 HA TRP 43 HA TRP 43 -1.353 -7.761 13.457 283 HB2 TRP 43 1HB TRP 43 -2.658 -5.073 13.190 284 HB3 TRP 43 2HB TRP 43 -2.116 -5.632 14.770 285 HD1 TRP 43 HD TRP 43 -0.349 -5.858 11.315 286 HE1 TRP 43 1HE TRP 43 2.000 -4.835 11.565 287 HE3 TRP 43 3HE TRP 43 -0.627 -4.373 16.199 288 HZ2 TRP 43 2HZ TRP 43 3.532 -3.567 13.568 289 HZ3 TRP 43 3HZ TRP 43 1.324 -3.263 17.207 290 HH2 TRP 43 HH TRP 43 3.359 -2.869 15.917 291 H ARG 44 H ARG 44 -4.734 -6.817 12.986 292 HA ARG 44 HA ARG 44 -5.608 -7.748 15.533 293 HB2 ARG 44 1HB ARG 44 -7.174 -7.207 13.003 294 HB3 ARG 44 2HB ARG 44 -7.881 -7.492 14.588 295 HG2 ARG 44 1HG ARG 44 -6.677 -5.485 15.422 296 HG3 ARG 44 2HG ARG 44 -6.147 -5.175 13.767 297 HD2 ARG 44 1HD ARG 44 -8.047 -3.830 14.054 298 HD3 ARG 44 2HD ARG 44 -8.615 -5.227 13.141 299 HE ARG 44 HE ARG 44 -9.149 -5.985 15.640 300 HH11 ARG 44 2HH1 ARG 44 -9.738 -2.975 13.993 301 HH12 ARG 44 1HH1 ARG 44 -11.155 -2.598 14.915 302 HH21 ARG 44 2HH2 ARG 44 -11.014 -5.499 16.861 303 HH22 ARG 44 1HH2 ARG 44 -11.880 -4.034 16.546 304 H GLY 45 H GLY 45 -5.465 -9.152 12.299 305 HA2 GLY 45 1HA GLY 45 -5.178 -11.474 11.917 306 HA3 GLY 45 2HA GLY 45 -5.863 -11.794 13.503 307 H HIS 46 H HIS 46 -6.444 -11.819 10.212 308 HA HIS 46 HA HIS 46 -9.351 -11.985 10.666 309 HB2 HIS 46 1HB HIS 46 -7.789 -10.664 8.503 310 HB3 HIS 46 2HB HIS 46 -9.301 -11.446 8.053 311 HD1 HIS 46 1HD HIS 46 -10.175 -9.011 7.488 312 HD2 HIS 46 2HD HIS 46 -9.372 -9.734 11.500 313 HE1 HIS 46 1HE HIS 46 -11.305 -7.149 8.745 314 H ALA 47 H ALA 47 -10.469 -13.652 9.676 315 HA ALA 47 HA ALA 47 -9.393 -15.402 7.749 316 HB1 ALA 47 1HB ALA 47 -9.575 -17.056 10.133 317 HB2 ALA 47 2HB ALA 47 -8.328 -16.997 8.887 318 HB3 ALA 47 3HB ALA 47 -8.285 -15.856 10.231 319 H GLY 48 H GLY 48 -10.678 -17.674 7.996 320 HA2 GLY 48 1HA GLY 48 -13.224 -17.653 9.186 321 HA3 GLY 48 2HA GLY 48 -13.376 -17.041 7.546 322 H GLY 49 H GLY 49 -14.800 -19.173 7.882 323 HA2 GLY 49 1HA GLY 49 -13.934 -21.714 7.918 324 HA3 GLY 49 2HA GLY 49 -15.152 -21.179 6.769 325 H SER 50 H SER 50 -13.189 -19.404 5.416 326 HA SER 50 HA SER 50 -11.998 -21.477 3.737 327 HB2 SER 50 1HB SER 50 -13.394 -19.694 2.696 328 HB3 SER 50 2HB SER 50 -12.212 -18.499 3.228 329 HG SER 50 HG SER 50 -12.136 -19.675 0.986 330 H HIS 51 H HIS 51 -10.887 -18.198 4.558 331 HA HIS 51 HA HIS 51 -8.148 -18.919 4.386 332 HB2 HIS 51 1HB HIS 51 -8.902 -16.634 3.951 333 HB3 HIS 51 2HB HIS 51 -9.446 -16.479 5.619 334 HD2 HIS 51 2HD HIS 51 -7.468 -15.866 7.461 335 HE1 HIS 51 1HE HIS 51 -4.270 -15.715 4.677 336 HE2 HIS 51 2HE HIS 51 -4.967 -15.335 7.068 337 H SER 52 H SER 52 -6.581 -19.023 6.045 338 HA SER 52 HA SER 52 -7.690 -19.759 8.675 339 HB2 SER 52 1HB SER 52 -6.718 -21.698 7.618 340 HB3 SER 52 2HB SER 52 -5.243 -20.809 7.238 341 HG SER 52 HG SER 52 -4.811 -21.964 9.061 342 H ASN 53 H ASN 53 -6.975 -18.716 10.435 343 HA ASN 53 HA ASN 53 -5.685 -16.295 10.340 344 HB2 ASN 53 1HB ASN 53 -5.409 -16.460 12.737 345 HB3 ASN 53 2HB ASN 53 -6.951 -17.187 12.294 346 HD21 ASN 53 1HD2 ASN 53 -5.120 -17.574 14.607 347 HD22 ASN 53 2HD2 ASN 53 -4.837 -19.278 14.670 348 H GLN 54 H GLN 54 -4.304 -19.443 10.172 349 HA GLN 54 HA GLN 54 -1.656 -18.688 10.970 350 HB2 GLN 54 1HB GLN 54 -2.921 -21.128 9.804 351 HB3 GLN 54 2HB GLN 54 -1.174 -20.958 9.705 352 HG2 GLN 54 1HG GLN 54 -1.244 -20.537 12.218 353 HG3 GLN 54 2HG GLN 54 -2.897 -21.148 12.149 354 HE21 GLN 54 1HE2 GLN 54 -2.049 -22.785 13.610 355 HE22 GLN 54 2HE2 GLN 54 -1.260 -24.172 12.948 356 H HIS 55 H HIS 55 -3.416 -18.919 7.948 357 HA HIS 55 HA HIS 55 -1.411 -18.902 6.077 358 HB2 HIS 55 1HB HIS 55 -4.134 -17.662 6.150 359 HB3 HIS 55 2HB HIS 55 -3.069 -17.314 4.791 360 HD2 HIS 55 2HD HIS 55 -2.612 -20.912 5.913 361 HE1 HIS 55 1HE HIS 55 -5.432 -20.988 2.744 362 HE2 HIS 55 2HE HIS 55 -3.993 -22.369 4.282 363 H GLN 56 H GLN 56 0.256 -17.617 5.677 364 HA GLN 56 HA GLN 56 0.542 -15.111 7.059 365 HB2 GLN 56 1HB GLN 56 2.443 -16.662 6.713 366 HB3 GLN 56 2HB GLN 56 2.337 -16.375 4.982 367 HG2 GLN 56 1HG GLN 56 4.112 -15.052 5.879 368 HG3 GLN 56 2HG GLN 56 2.798 -13.983 5.390 369 HE21 GLN 56 1HE2 GLN 56 4.222 -12.634 6.894 370 HE22 GLN 56 2HE2 GLN 56 3.746 -12.604 8.555 371 H MET 57 H MET 57 1.144 -13.102 5.952 372 HA MET 57 HA MET 57 -0.256 -12.822 3.373 373 HB2 MET 57 1HB MET 57 0.031 -10.639 5.434 374 HB3 MET 57 2HB MET 57 -1.008 -10.654 4.015 375 HG2 MET 57 1HG MET 57 -1.331 -12.591 6.285 376 HG3 MET 57 2HG MET 57 -2.129 -11.021 6.243 377 HE1 MET 57 1HE MET 57 -3.666 -10.235 4.885 378 HE2 MET 57 2HE MET 57 -3.859 -10.788 3.221 379 HE3 MET 57 3HE MET 57 -5.045 -11.243 4.445 380 H LYS 58 H LYS 58 0.825 -11.903 1.730 381 HA LYS 58 HA LYS 58 3.598 -11.119 2.211 382 HB2 LYS 58 1HB LYS 58 2.100 -11.673 -0.357 383 HB3 LYS 58 2HB LYS 58 3.801 -11.235 -0.267 384 HG2 LYS 58 1HG LYS 58 2.681 -13.645 1.132 385 HG3 LYS 58 2HG LYS 58 3.267 -13.692 -0.532 386 HD2 LYS 58 1HD LYS 58 4.941 -12.673 1.752 387 HD3 LYS 58 2HD LYS 58 4.920 -14.372 1.270 388 HE2 LYS 58 1HE LYS 58 5.603 -12.073 -0.558 389 HE3 LYS 58 2HE LYS 58 6.788 -13.079 0.273 390 HZ1 LYS 58 1HZ LYS 58 5.860 -13.572 -2.184 391 HZ2 LYS 58 2HZ LYS 58 4.809 -14.528 -1.265 392 HZ3 LYS 58 3HZ LYS 58 6.481 -14.763 -1.155 393 H GLU 59 H GLU 59 4.448 -9.137 1.630 394 HA GLU 59 HA GLU 59 2.555 -6.954 1.570 395 HB2 GLU 59 1HB GLU 59 4.541 -5.516 1.742 396 HB3 GLU 59 2HB GLU 59 4.539 -6.772 2.972 397 HG2 GLU 59 1HG GLU 59 6.250 -7.964 1.935 398 HG3 GLU 59 2HG GLU 59 6.021 -7.132 0.397 399 H TYR 60 H TYR 60 2.029 -5.707 -0.130 400 HA TYR 60 HA TYR 60 3.415 -6.226 -2.679 401 HB2 TYR 60 1HB TYR 60 0.517 -6.088 -2.017 402 HB3 TYR 60 2HB TYR 60 1.026 -5.419 -3.564 403 HD1 TYR 60 1HD TYR 60 1.678 -8.490 -1.523 404 HD2 TYR 60 2HD TYR 60 0.899 -6.841 -5.367 405 HE1 TYR 60 1HE TYR 60 1.690 -10.752 -2.489 406 HE2 TYR 60 2HE TYR 60 0.907 -9.098 -6.344 407 HH TYR 60 HH TYR 60 1.797 -11.316 -5.844 408 H THR 61 H THR 61 4.526 -4.517 -3.324 409 HA THR 61 HA THR 61 3.780 -1.853 -2.397 410 HB THR 61 HB THR 61 5.938 -1.126 -3.325 411 HG1 THR 61 1HG THR 61 7.047 -3.524 -3.796 412 HG21 THR 61 1HG2 THR 61 6.350 -3.638 -1.712 413 HG22 THR 61 2HG2 THR 61 5.721 -2.143 -1.019 414 HG23 THR 61 3HG2 THR 61 7.339 -2.179 -1.720 415 H SER 62 H SER 62 1.949 -2.868 -4.188 416 HA SER 62 HA SER 62 2.568 -1.536 -6.733 417 HB2 SER 62 1HB SER 62 1.873 -3.860 -6.968 418 HB3 SER 62 2HB SER 62 0.406 -3.541 -6.043 419 HG SER 62 HG SER 62 0.283 -1.797 -7.904 420 H TRP 63 H TRP 63 0.038 -1.806 -4.259 421 HA TRP 63 HA TRP 63 -1.465 0.388 -5.384 422 HB2 TRP 63 1HB TRP 63 -3.134 -0.165 -3.896 423 HB3 TRP 63 2HB TRP 63 -2.300 -1.712 -4.015 424 HD1 TRP 63 HD TRP 63 0.152 -0.838 -2.033 425 HE1 TRP 63 1HE TRP 63 -0.319 -0.783 0.497 426 HE3 TRP 63 3HE TRP 63 -4.946 -0.479 -2.164 427 HZ2 TRP 63 2HZ TRP 63 -2.555 -0.610 2.210 428 HZ3 TRP 63 3HZ TRP 63 -6.176 -0.374 -0.035 429 HH2 TRP 63 HH TRP 63 -5.003 -0.439 2.106 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -21.897 23.599 1.473 2 HA2 GLY 1 1HA GLY 1 -19.597 22.640 3.052 3 HA3 GLY 1 2HA GLY 1 -21.065 21.680 2.941 4 H SER 2 H SER 2 -18.050 21.805 1.832 5 HA SER 2 HA SER 2 -18.622 20.119 -0.416 6 HB2 SER 2 1HB SER 2 -17.516 21.490 -2.119 7 HB3 SER 2 2HB SER 2 -18.910 22.341 -1.454 8 HG SER 2 HG SER 2 -16.602 23.353 -1.661 9 H SER 3 H SER 3 -16.541 19.438 -1.519 10 HA SER 3 HA SER 3 -14.099 19.813 -0.039 11 HB2 SER 3 1HB SER 3 -13.796 17.523 0.666 12 HB3 SER 3 2HB SER 3 -15.333 18.099 1.310 13 HG SER 3 HG SER 3 -14.822 16.119 -0.527 14 H GLY 4 H GLY 4 -12.323 19.391 -1.265 15 HA2 GLY 4 1HA GLY 4 -12.807 18.125 -3.892 16 HA3 GLY 4 2HA GLY 4 -11.791 19.546 -3.699 17 H SER 5 H SER 5 -9.751 18.984 -4.048 18 HA SER 5 HA SER 5 -8.468 17.054 -2.367 19 HB2 SER 5 1HB SER 5 -9.370 15.480 -3.968 20 HB3 SER 5 2HB SER 5 -8.772 16.445 -5.316 21 HG SER 5 HG SER 5 -7.509 14.503 -4.424 22 H SER 6 H SER 6 -6.313 17.444 -2.195 23 HA SER 6 HA SER 6 -5.153 19.405 -4.064 24 HB2 SER 6 1HB SER 6 -5.727 20.280 -1.730 25 HB3 SER 6 2HB SER 6 -4.430 19.242 -1.138 26 HG SER 6 HG SER 6 -3.058 20.369 -2.683 27 H GLY 7 H GLY 7 -3.941 18.053 -5.304 28 HA2 GLY 7 1HA GLY 7 -1.605 17.299 -5.417 29 HA3 GLY 7 2HA GLY 7 -1.875 16.492 -3.879 30 H VAL 8 H VAL 8 -0.873 15.253 -6.231 31 HA VAL 8 HA VAL 8 -3.048 13.717 -7.374 32 HB VAL 8 HB VAL 8 -0.062 13.471 -7.766 33 HG11 VAL 8 1HG1 VAL 8 -2.151 11.671 -8.425 34 HG12 VAL 8 2HG1 VAL 8 -1.566 12.394 -9.924 35 HG13 VAL 8 3HG1 VAL 8 -0.441 11.569 -8.843 36 HG21 VAL 8 1HG2 VAL 8 -0.365 14.654 -9.814 37 HG22 VAL 8 2HG2 VAL 8 -2.120 14.625 -9.641 38 HG23 VAL 8 3HG2 VAL 8 -1.142 15.599 -8.544 39 H PHE 9 H PHE 9 -3.861 12.621 -5.551 40 HA PHE 9 HA PHE 9 -2.085 10.780 -4.154 41 HB2 PHE 9 1HB PHE 9 -4.867 11.785 -3.708 42 HB3 PHE 9 2HB PHE 9 -4.387 10.258 -2.976 43 HD1 PHE 9 1HD PHE 9 -2.930 13.670 -3.405 44 HD2 PHE 9 2HD PHE 9 -3.692 10.389 -0.803 45 HE1 PHE 9 1HE PHE 9 -1.870 14.897 -1.553 46 HE2 PHE 9 2HE PHE 9 -2.635 11.610 1.053 47 HZ PHE 9 HZ PHE 9 -1.723 13.867 0.679 48 H HIS 10 H HIS 10 -2.760 8.519 -3.845 49 HA HIS 10 HA HIS 10 -4.033 7.455 -6.280 50 HB2 HIS 10 1HB HIS 10 -1.679 6.537 -4.682 51 HB3 HIS 10 2HB HIS 10 -2.655 5.334 -5.521 52 HD1 HIS 10 1HD HIS 10 -2.669 5.440 -8.135 53 HD2 HIS 10 2HD HIS 10 -0.038 8.080 -6.298 54 HE1 HIS 10 1HE HIS 10 -1.132 6.237 -9.960 55 HA PRO 11 HA PRO 11 -7.127 5.514 -3.847 56 HB2 PRO 11 1HB PRO 11 -7.604 3.273 -5.304 57 HB3 PRO 11 2HB PRO 11 -8.114 4.884 -5.824 58 HG2 PRO 11 1HG PRO 11 -5.721 3.292 -6.662 59 HG3 PRO 11 2HG PRO 11 -6.830 4.253 -7.657 60 HD2 PRO 11 1HD PRO 11 -4.400 5.166 -6.886 61 HD3 PRO 11 2HD PRO 11 -5.795 6.240 -7.113 62 H VAL 12 H VAL 12 -5.877 5.038 -1.975 63 HA VAL 12 HA VAL 12 -4.817 2.292 -1.859 64 HB VAL 12 HB VAL 12 -4.154 4.642 -0.079 65 HG11 VAL 12 1HG1 VAL 12 -2.839 3.282 1.202 66 HG12 VAL 12 2HG1 VAL 12 -4.112 2.138 0.768 67 HG13 VAL 12 3HG1 VAL 12 -2.576 2.122 -0.100 68 HG21 VAL 12 1HG2 VAL 12 -2.022 4.697 -1.154 69 HG22 VAL 12 2HG2 VAL 12 -2.388 3.241 -2.080 70 HG23 VAL 12 3HG2 VAL 12 -3.256 4.739 -2.414 71 H GLU 13 H GLU 13 -6.790 1.285 -1.402 72 HA GLU 13 HA GLU 13 -7.815 1.818 1.306 73 HB2 GLU 13 1HB GLU 13 -9.423 1.103 -1.151 74 HB3 GLU 13 2HB GLU 13 -10.069 1.149 0.483 75 HG2 GLU 13 1HG GLU 13 -9.131 3.595 0.450 76 HG3 GLU 13 2HG GLU 13 -9.247 3.385 -1.296 77 H CYS 14 H CYS 14 -9.157 -0.117 2.099 78 HA CYS 14 HA CYS 14 -7.541 -2.514 1.660 79 HB2 CYS 14 1HB CYS 14 -8.166 -1.454 3.978 80 HB3 CYS 14 2HB CYS 14 -9.683 -2.316 3.745 81 H SER 15 H SER 15 -8.911 -4.623 2.013 82 HA SER 15 HA SER 15 -11.065 -4.521 0.022 83 HB2 SER 15 1HB SER 15 -8.962 -6.058 -0.166 84 HB3 SER 15 2HB SER 15 -9.812 -7.069 1.003 85 HG SER 15 HG SER 15 -10.705 -7.833 -0.754 86 H TYR 16 H TYR 16 -10.370 -5.292 3.331 87 HA TYR 16 HA TYR 16 -13.072 -6.381 3.698 88 HB2 TYR 16 1HB TYR 16 -11.186 -7.743 4.546 89 HB3 TYR 16 2HB TYR 16 -10.724 -6.416 5.606 90 HD1 TYR 16 2HD TYR 16 -12.382 -5.673 7.386 91 HD2 TYR 16 1HD TYR 16 -12.801 -9.310 5.218 92 HE1 TYR 16 2HE TYR 16 -13.895 -6.530 9.126 93 HE2 TYR 16 1HE TYR 16 -14.315 -10.176 6.951 94 HH TYR 16 HH TYR 16 -15.906 -8.474 9.021 95 H CYS 17 H CYS 17 -10.893 -4.491 5.786 96 HA CYS 17 HA CYS 17 -13.029 -3.139 7.070 97 HB2 CYS 17 1HB CYS 17 -11.388 -2.030 8.325 98 HB3 CYS 17 2HB CYS 17 -10.638 -3.574 7.933 99 H HIS 18 H HIS 18 -11.528 -2.672 4.077 100 HA HIS 18 HA HIS 18 -11.414 -0.915 2.599 101 HB2 HIS 18 1HB HIS 18 -14.208 -1.085 3.622 102 HB3 HIS 18 2HB HIS 18 -13.793 0.281 2.590 103 HD1 HIS 18 1HD HIS 18 -14.154 -0.140 0.188 104 HD2 HIS 18 2HD HIS 18 -13.392 -3.655 2.267 105 HE1 HIS 18 1HE HIS 18 -14.351 -1.983 -1.512 106 H SER 19 H SER 19 -10.037 -0.109 4.732 107 HA SER 19 HA SER 19 -11.047 2.303 5.899 108 HB2 SER 19 1HB SER 19 -8.852 2.503 6.924 109 HB3 SER 19 2HB SER 19 -9.396 0.829 7.038 110 HG SER 19 HG SER 19 -7.850 1.602 4.834 111 H GLU 20 H GLU 20 -9.354 4.251 5.809 112 HA GLU 20 HA GLU 20 -8.834 4.804 2.961 113 HB2 GLU 20 1HB GLU 20 -9.451 7.148 3.375 114 HB3 GLU 20 2HB GLU 20 -10.790 6.055 3.694 115 HG2 GLU 20 1HG GLU 20 -10.946 7.405 5.513 116 HG3 GLU 20 2HG GLU 20 -9.866 6.168 6.152 117 H SER 21 H SER 21 -7.958 5.596 6.302 118 HA SER 21 HA SER 21 -5.829 7.252 5.993 119 HB2 SER 21 1HB SER 21 -6.684 6.410 8.175 120 HB3 SER 21 2HB SER 21 -5.865 4.878 7.872 121 HG SER 21 HG SER 21 -4.698 6.476 9.182 122 H MET 22 H MET 22 -3.726 7.142 5.368 123 HA MET 22 HA MET 22 -2.943 4.765 3.877 124 HB2 MET 22 1HB MET 22 -2.747 7.117 2.949 125 HB3 MET 22 2HB MET 22 -1.437 7.370 4.094 126 HG2 MET 22 1HG MET 22 -0.286 5.396 3.061 127 HG3 MET 22 2HG MET 22 -1.531 5.418 1.813 128 HE1 MET 22 1HE MET 22 -0.628 7.921 -0.602 129 HE2 MET 22 2HE MET 22 -1.786 6.771 0.067 130 HE3 MET 22 3HE MET 22 -1.826 8.460 0.575 131 H MET 23 H MET 23 -2.977 4.253 6.562 132 HA MET 23 HA MET 23 -0.152 4.345 7.376 133 HB2 MET 23 1HB MET 23 -2.159 5.202 8.851 134 HB3 MET 23 2HB MET 23 -2.339 3.494 9.229 135 HG2 MET 23 1HG MET 23 0.309 4.854 9.510 136 HG3 MET 23 2HG MET 23 -0.913 4.974 10.773 137 HE1 MET 23 1HE MET 23 -0.452 2.459 12.926 138 HE2 MET 23 2HE MET 23 -1.612 3.568 12.195 139 HE3 MET 23 3HE MET 23 -1.769 1.830 11.936 140 H GLY 24 H GLY 24 0.374 2.590 5.934 141 HA2 GLY 24 1HA GLY 24 0.962 0.214 6.830 142 HA3 GLY 24 2HA GLY 24 -0.771 -0.016 6.650 143 H PHE 25 H PHE 25 0.039 -1.778 5.216 144 HA PHE 25 HA PHE 25 0.175 -0.771 2.474 145 HB2 PHE 25 1HB PHE 25 2.190 -2.539 3.807 146 HB3 PHE 25 2HB PHE 25 1.855 -2.756 2.093 147 HD1 PHE 25 1HD PHE 25 1.540 -0.120 1.045 148 HD2 PHE 25 2HD PHE 25 4.216 -1.493 4.058 149 HE1 PHE 25 1HE PHE 25 3.082 1.721 0.511 150 HE2 PHE 25 2HE PHE 25 5.761 0.346 3.528 151 HZ PHE 25 HZ PHE 25 5.196 1.957 1.754 152 H ARG 26 H ARG 26 -0.004 -2.736 0.909 153 HA ARG 26 HA ARG 26 -2.383 -4.179 1.710 154 HB2 ARG 26 1HB ARG 26 -2.357 -4.975 -0.665 155 HB3 ARG 26 2HB ARG 26 -2.414 -3.227 -0.486 156 HG2 ARG 26 1HG ARG 26 -0.106 -3.019 -1.049 157 HG3 ARG 26 2HG ARG 26 0.116 -4.769 -0.999 158 HD2 ARG 26 1HD ARG 26 -1.807 -3.438 -2.888 159 HD3 ARG 26 2HD ARG 26 -0.111 -3.697 -3.295 160 HE ARG 26 HE ARG 26 -0.510 -5.981 -3.446 161 HH11 ARG 26 2HH1 ARG 26 -3.341 -4.285 -2.335 162 HH12 ARG 26 1HH1 ARG 26 -4.405 -5.628 -2.593 163 HH21 ARG 26 2HH2 ARG 26 -1.902 -7.755 -3.789 164 HH22 ARG 26 1HH2 ARG 26 -3.586 -7.601 -3.419 165 H TYR 27 H TYR 27 -2.374 -6.157 2.532 166 HA TYR 27 HA TYR 27 -0.030 -7.875 2.035 167 HB2 TYR 27 1HB TYR 27 -1.804 -7.804 4.485 168 HB3 TYR 27 2HB TYR 27 -0.445 -8.894 4.236 169 HD1 TYR 27 2HD TYR 27 -1.429 -5.426 4.930 170 HD2 TYR 27 1HD TYR 27 1.830 -8.122 4.470 171 HE1 TYR 27 2HE TYR 27 0.081 -3.760 5.926 172 HE2 TYR 27 1HE TYR 27 3.349 -6.464 5.466 173 HH TYR 27 HH TYR 27 3.553 -4.255 6.025 174 H ARG 28 H ARG 28 -0.722 -9.152 0.401 175 HA ARG 28 HA ARG 28 -3.380 -10.342 0.515 176 HB2 ARG 28 1HB ARG 28 -2.589 -9.431 -1.623 177 HB3 ARG 28 2HB ARG 28 -1.224 -10.540 -1.595 178 HG2 ARG 28 1HG ARG 28 -2.989 -12.398 -1.512 179 HG3 ARG 28 2HG ARG 28 -4.126 -11.144 -2.013 180 HD2 ARG 28 1HD ARG 28 -2.607 -10.656 -3.939 181 HD3 ARG 28 2HD ARG 28 -1.656 -12.066 -3.474 182 HE ARG 28 HE ARG 28 -4.474 -12.560 -3.908 183 HH11 ARG 28 2HH1 ARG 28 -1.275 -12.517 -5.279 184 HH12 ARG 28 1HH1 ARG 28 -1.672 -13.604 -6.569 185 HH21 ARG 28 2HH2 ARG 28 -5.009 -13.992 -5.601 186 HH22 ARG 28 1HH2 ARG 28 -3.796 -14.442 -6.751 187 H CYS 29 H CYS 29 -3.744 -12.290 1.333 188 HA CYS 29 HA CYS 29 -1.998 -13.862 2.687 189 HB2 CYS 29 1HB CYS 29 -4.345 -14.314 2.822 190 HB3 CYS 29 2HB CYS 29 -4.432 -14.694 1.105 191 H GLN 30 H GLN 30 -1.119 -16.029 2.194 192 HA GLN 30 HA GLN 30 0.504 -15.918 -0.160 193 HB2 GLN 30 1HB GLN 30 0.225 -17.817 2.138 194 HB3 GLN 30 2HB GLN 30 1.128 -18.309 0.711 195 HG2 GLN 30 1HG GLN 30 2.299 -15.967 1.106 196 HG3 GLN 30 2HG GLN 30 1.774 -16.273 2.761 197 HE21 GLN 30 1HE2 GLN 30 4.449 -16.242 1.379 198 HE22 GLN 30 2HE2 GLN 30 5.184 -17.736 1.837 199 H GLN 31 H GLN 31 -1.505 -18.629 0.981 200 HA GLN 31 HA GLN 31 -2.160 -19.198 -1.830 201 HB2 GLN 31 1HB GLN 31 -0.936 -20.899 -0.268 202 HB3 GLN 31 2HB GLN 31 -2.544 -21.174 0.391 203 HG2 GLN 31 1HG GLN 31 -2.448 -22.800 -1.207 204 HG3 GLN 31 2HG GLN 31 -3.197 -21.489 -2.117 205 HE21 GLN 31 1HE2 GLN 31 -1.829 -23.648 -3.274 206 HE22 GLN 31 2HE2 GLN 31 -0.426 -23.035 -4.073 207 H CYS 32 H CYS 32 -4.049 -18.245 -2.293 208 HA CYS 32 HA CYS 32 -6.460 -19.211 -1.215 209 HB2 CYS 32 1HB CYS 32 -5.350 -16.742 0.003 210 HB3 CYS 32 2HB CYS 32 -7.064 -16.717 -0.400 211 H HIS 33 H HIS 33 -8.372 -17.844 -1.996 212 HA HIS 33 HA HIS 33 -7.937 -17.270 -4.779 213 HB2 HIS 33 1HB HIS 33 -10.385 -17.222 -3.017 214 HB3 HIS 33 2HB HIS 33 -10.431 -16.751 -4.713 215 HD1 HIS 33 1HD HIS 33 -11.710 -19.352 -3.142 216 HD2 HIS 33 2HD HIS 33 -8.594 -19.239 -5.888 217 HE1 HIS 33 1HE HIS 33 -11.597 -21.664 -4.127 218 H ASN 34 H ASN 34 -9.759 -15.339 -2.409 219 HA ASN 34 HA ASN 34 -8.296 -12.955 -3.302 220 HB2 ASN 34 1HB ASN 34 -10.646 -13.341 -4.390 221 HB3 ASN 34 2HB ASN 34 -11.253 -12.794 -2.830 222 HD21 ASN 34 1HD2 ASN 34 -10.280 -11.845 -5.853 223 HD22 ASN 34 2HD2 ASN 34 -10.038 -10.162 -5.548 224 H TYR 35 H TYR 35 -7.168 -12.999 -1.330 225 HA TYR 35 HA TYR 35 -8.764 -12.074 0.958 226 HB2 TYR 35 1HB TYR 35 -7.850 -14.563 0.988 227 HB3 TYR 35 2HB TYR 35 -6.360 -13.765 1.479 228 HD1 TYR 35 2HD TYR 35 -9.965 -14.056 2.359 229 HD2 TYR 35 1HD TYR 35 -6.030 -13.165 3.712 230 HE1 TYR 35 2HE TYR 35 -10.790 -13.956 4.674 231 HE2 TYR 35 1HE TYR 35 -6.844 -13.064 6.031 232 HH TYR 35 HH TYR 35 -8.607 -13.656 7.391 233 H GLN 36 H GLN 36 -8.179 -9.980 0.993 234 HA GLN 36 HA GLN 36 -5.297 -9.388 1.154 235 HB2 GLN 36 1HB GLN 36 -7.490 -7.921 -0.280 236 HB3 GLN 36 2HB GLN 36 -6.044 -7.074 0.251 237 HG2 GLN 36 1HG GLN 36 -5.392 -7.618 -1.846 238 HG3 GLN 36 2HG GLN 36 -4.851 -9.069 -1.004 239 HE21 GLN 36 1HE2 GLN 36 -7.232 -7.711 -3.145 240 HE22 GLN 36 2HE2 GLN 36 -7.875 -9.212 -3.708 241 H LEU 37 H LEU 37 -4.621 -8.103 2.796 242 HA LEU 37 HA LEU 37 -6.589 -6.679 4.412 243 HB2 LEU 37 1HB LEU 37 -4.684 -8.728 5.535 244 HB3 LEU 37 2HB LEU 37 -5.672 -7.629 6.495 245 HG LEU 37 HG LEU 37 -6.735 -9.781 4.665 246 HD11 LEU 37 1HD1 LEU 37 -5.510 -10.511 6.773 247 HD12 LEU 37 2HD1 LEU 37 -7.165 -11.086 6.566 248 HD13 LEU 37 3HD1 LEU 37 -6.827 -9.749 7.666 249 HD21 LEU 37 1HD2 LEU 37 -8.614 -8.589 4.766 250 HD22 LEU 37 2HD2 LEU 37 -7.954 -7.504 5.990 251 HD23 LEU 37 3HD2 LEU 37 -8.690 -9.034 6.471 252 H CYS 38 H CYS 38 -5.714 -5.011 5.689 253 HA CYS 38 HA CYS 38 -3.105 -4.087 4.752 254 HB2 CYS 38 1HB CYS 38 -3.762 -1.915 5.698 255 HB3 CYS 38 2HB CYS 38 -4.979 -2.523 4.579 256 H GLN 39 H GLN 39 -1.869 -2.756 6.489 257 HA GLN 39 HA GLN 39 -0.712 -4.425 8.306 258 HB2 GLN 39 1HB GLN 39 0.080 -2.133 7.643 259 HB3 GLN 39 2HB GLN 39 -1.088 -1.465 8.775 260 HG2 GLN 39 1HG GLN 39 0.068 -2.219 10.622 261 HG3 GLN 39 2HG GLN 39 0.910 -3.472 9.712 262 HE21 GLN 39 1HE2 GLN 39 2.047 -1.518 11.483 263 HE22 GLN 39 2HE2 GLN 39 3.151 -0.574 10.548 264 H ASP 40 H ASP 40 -3.527 -2.353 8.827 265 HA ASP 40 HA ASP 40 -3.796 -2.873 11.595 266 HB2 ASP 40 1HB ASP 40 -5.954 -2.091 9.624 267 HB3 ASP 40 2HB ASP 40 -6.026 -1.917 11.375 268 H CYS 41 H CYS 41 -5.860 -4.040 8.926 269 HA CYS 41 HA CYS 41 -7.330 -5.907 10.259 270 HB2 CYS 41 1HB CYS 41 -6.229 -5.968 7.453 271 HB3 CYS 41 2HB CYS 41 -7.336 -7.198 8.053 272 H PHE 42 H PHE 42 -4.204 -6.530 8.665 273 HA PHE 42 HA PHE 42 -3.947 -9.204 9.405 274 HB2 PHE 42 1HB PHE 42 -2.519 -7.926 7.751 275 HB3 PHE 42 2HB PHE 42 -1.649 -7.264 9.131 276 HD1 PHE 42 2HD PHE 42 -2.891 -10.682 8.296 277 HD2 PHE 42 1HD PHE 42 0.432 -8.211 9.281 278 HE1 PHE 42 2HE PHE 42 -1.431 -12.662 8.319 279 HE2 PHE 42 1HE PHE 42 1.898 -10.187 9.304 280 HZ PHE 42 HZ PHE 42 0.967 -12.416 8.824 281 H TRP 43 H TRP 43 -2.319 -6.422 10.938 282 HA TRP 43 HA TRP 43 -1.151 -7.590 13.074 283 HB2 TRP 43 1HB TRP 43 -2.490 -4.942 12.736 284 HB3 TRP 43 2HB TRP 43 -1.956 -5.411 14.347 285 HD1 TRP 43 HD TRP 43 -0.207 -5.718 10.883 286 HE1 TRP 43 1HE TRP 43 2.151 -4.710 11.105 287 HE3 TRP 43 3HE TRP 43 -0.425 -4.208 15.763 288 HZ2 TRP 43 2HZ TRP 43 3.712 -3.443 13.086 289 HZ3 TRP 43 3HZ TRP 43 1.544 -3.106 16.745 290 HH2 TRP 43 HH TRP 43 3.569 -2.733 15.433 291 H ARG 44 H ARG 44 -4.580 -6.727 12.839 292 HA ARG 44 HA ARG 44 -5.241 -7.571 15.473 293 HB2 ARG 44 1HB ARG 44 -7.025 -7.239 13.053 294 HB3 ARG 44 2HB ARG 44 -7.573 -7.397 14.716 295 HG2 ARG 44 1HG ARG 44 -6.571 -5.299 15.308 296 HG3 ARG 44 2HG ARG 44 -5.826 -5.162 13.714 297 HD2 ARG 44 1HD ARG 44 -8.239 -5.304 12.819 298 HD3 ARG 44 2HD ARG 44 -8.716 -4.923 14.474 299 HE ARG 44 HE ARG 44 -6.776 -3.128 13.293 300 HH11 ARG 44 2HH1 ARG 44 -10.135 -3.799 13.915 301 HH12 ARG 44 1HH1 ARG 44 -10.634 -2.150 13.732 302 HH21 ARG 44 2HH2 ARG 44 -7.420 -0.953 13.050 303 HH22 ARG 44 1HH2 ARG 44 -9.088 -0.532 13.239 304 H GLY 45 H GLY 45 -5.312 -9.126 12.303 305 HA2 GLY 45 1HA GLY 45 -4.994 -11.448 11.986 306 HA3 GLY 45 2HA GLY 45 -5.491 -11.719 13.650 307 H HIS 46 H HIS 46 -6.445 -11.768 10.410 308 HA HIS 46 HA HIS 46 -9.251 -12.168 11.216 309 HB2 HIS 46 1HB HIS 46 -8.091 -10.647 8.927 310 HB3 HIS 46 2HB HIS 46 -9.608 -11.503 8.668 311 HD1 HIS 46 1HD HIS 46 -10.872 -9.254 8.409 312 HD2 HIS 46 2HD HIS 46 -9.073 -9.789 12.116 313 HE1 HIS 46 1HE HIS 46 -11.855 -7.480 9.897 314 H ALA 47 H ALA 47 -10.424 -13.778 10.090 315 HA ALA 47 HA ALA 47 -9.354 -15.388 8.043 316 HB1 ALA 47 1HB ALA 47 -9.412 -17.148 10.368 317 HB2 ALA 47 2HB ALA 47 -8.234 -17.033 9.060 318 HB3 ALA 47 3HB ALA 47 -8.133 -15.935 10.436 319 H GLY 48 H GLY 48 -10.558 -17.721 8.227 320 HA2 GLY 48 1HA GLY 48 -13.072 -17.829 9.478 321 HA3 GLY 48 2HA GLY 48 -13.285 -17.154 7.870 322 H GLY 49 H GLY 49 -14.641 -19.321 8.101 323 HA2 GLY 49 1HA GLY 49 -13.661 -21.841 8.013 324 HA3 GLY 49 2HA GLY 49 -14.966 -21.309 6.963 325 H SER 50 H SER 50 -13.305 -19.427 5.488 326 HA SER 50 HA SER 50 -12.122 -21.341 3.656 327 HB2 SER 50 1HB SER 50 -12.425 -18.339 3.400 328 HB3 SER 50 2HB SER 50 -11.944 -19.445 2.113 329 HG SER 50 HG SER 50 -14.318 -18.728 2.489 330 H HIS 51 H HIS 51 -11.003 -18.158 4.809 331 HA HIS 51 HA HIS 51 -8.259 -18.857 4.383 332 HB2 HIS 51 1HB HIS 51 -9.010 -16.554 4.084 333 HB3 HIS 51 2HB HIS 51 -9.496 -16.473 5.775 334 HD2 HIS 51 2HD HIS 51 -7.478 -15.869 7.555 335 HE1 HIS 51 1HE HIS 51 -4.335 -15.738 4.708 336 HE2 HIS 51 2HE HIS 51 -4.979 -15.368 7.115 337 H SER 52 H SER 52 -6.729 -19.468 5.830 338 HA SER 52 HA SER 52 -7.685 -20.149 8.523 339 HB2 SER 52 1HB SER 52 -6.627 -21.865 6.844 340 HB3 SER 52 2HB SER 52 -5.102 -21.166 7.388 341 HG SER 52 HG SER 52 -6.819 -22.852 8.690 342 H ASN 53 H ASN 53 -6.892 -19.160 10.267 343 HA ASN 53 HA ASN 53 -5.466 -16.823 10.218 344 HB2 ASN 53 1HB ASN 53 -6.639 -17.487 12.210 345 HB3 ASN 53 2HB ASN 53 -5.614 -18.906 12.404 346 HD21 ASN 53 1HD2 ASN 53 -5.736 -15.417 12.583 347 HD22 ASN 53 2HD2 ASN 53 -4.349 -15.229 13.596 348 H GLN 54 H GLN 54 -4.255 -20.052 9.966 349 HA GLN 54 HA GLN 54 -1.519 -19.318 10.549 350 HB2 GLN 54 1HB GLN 54 -2.724 -21.620 10.917 351 HB3 GLN 54 2HB GLN 54 -2.288 -21.895 9.236 352 HG2 GLN 54 1HG GLN 54 0.040 -21.651 9.734 353 HG3 GLN 54 2HG GLN 54 -0.321 -21.158 11.388 354 HE21 GLN 54 1HE2 GLN 54 -0.447 -23.830 9.117 355 HE22 GLN 54 2HE2 GLN 54 -0.444 -25.085 10.303 356 H HIS 55 H HIS 55 -3.007 -18.049 8.300 357 HA HIS 55 HA HIS 55 -1.347 -18.928 6.038 358 HB2 HIS 55 1HB HIS 55 -3.994 -17.526 6.216 359 HB3 HIS 55 2HB HIS 55 -3.005 -17.360 4.768 360 HD2 HIS 55 2HD HIS 55 -2.863 -20.880 6.284 361 HE1 HIS 55 1HE HIS 55 -5.635 -21.001 3.073 362 HE2 HIS 55 2HE HIS 55 -4.374 -22.351 4.786 363 H GLN 56 H GLN 56 0.365 -17.742 5.539 364 HA GLN 56 HA GLN 56 0.807 -15.186 6.779 365 HB2 GLN 56 1HB GLN 56 2.513 -17.094 6.129 366 HB3 GLN 56 2HB GLN 56 2.563 -16.228 4.599 367 HG2 GLN 56 1HG GLN 56 4.357 -15.508 6.051 368 HG3 GLN 56 2HG GLN 56 3.221 -14.191 5.766 369 HE21 GLN 56 1HE2 GLN 56 4.786 -16.105 8.080 370 HE22 GLN 56 2HE2 GLN 56 3.994 -15.485 9.484 371 H MET 57 H MET 57 0.970 -13.185 5.789 372 HA MET 57 HA MET 57 -0.247 -13.022 3.113 373 HB2 MET 57 1HB MET 57 -0.231 -10.923 5.288 374 HB3 MET 57 2HB MET 57 -1.049 -10.805 3.736 375 HG2 MET 57 1HG MET 57 -2.435 -12.761 4.389 376 HG3 MET 57 2HG MET 57 -1.687 -12.698 5.983 377 HE1 MET 57 1HE MET 57 -5.278 -11.485 4.658 378 HE2 MET 57 2HE MET 57 -4.624 -10.003 3.960 379 HE3 MET 57 3HE MET 57 -3.955 -11.567 3.494 380 H LYS 58 H LYS 58 0.766 -11.918 1.517 381 HA LYS 58 HA LYS 58 3.494 -11.024 2.070 382 HB2 LYS 58 1HB LYS 58 2.040 -11.620 -0.509 383 HB3 LYS 58 2HB LYS 58 3.679 -10.985 -0.441 384 HG2 LYS 58 1HG LYS 58 3.002 -13.488 1.034 385 HG3 LYS 58 2HG LYS 58 3.276 -13.537 -0.709 386 HD2 LYS 58 1HD LYS 58 5.226 -12.269 1.200 387 HD3 LYS 58 2HD LYS 58 5.290 -13.982 0.777 388 HE2 LYS 58 1HE LYS 58 5.317 -11.773 -1.268 389 HE3 LYS 58 2HE LYS 58 6.784 -12.458 -0.569 390 HZ1 LYS 58 1HZ LYS 58 5.704 -14.683 -1.331 391 HZ2 LYS 58 2HZ LYS 58 6.541 -13.721 -2.443 392 HZ3 LYS 58 3HZ LYS 58 4.850 -13.690 -2.402 393 H GLU 59 H GLU 59 4.122 -8.951 1.977 394 HA GLU 59 HA GLU 59 2.085 -6.924 1.582 395 HB2 GLU 59 1HB GLU 59 3.681 -6.826 3.493 396 HB3 GLU 59 2HB GLU 59 4.991 -6.589 2.344 397 HG2 GLU 59 1HG GLU 59 2.660 -4.735 2.302 398 HG3 GLU 59 2HG GLU 59 3.894 -4.555 3.549 399 H TYR 60 H TYR 60 1.988 -5.479 -0.062 400 HA TYR 60 HA TYR 60 4.074 -5.635 -2.134 401 HB2 TYR 60 1HB TYR 60 1.095 -5.406 -2.610 402 HB3 TYR 60 2HB TYR 60 2.341 -5.425 -3.854 403 HD1 TYR 60 1HD TYR 60 0.804 -7.475 -1.166 404 HD2 TYR 60 2HD TYR 60 3.137 -7.458 -4.724 405 HE1 TYR 60 1HE TYR 60 0.654 -9.927 -1.268 406 HE2 TYR 60 2HE TYR 60 2.993 -9.911 -4.837 407 HH TYR 60 HH TYR 60 2.613 -11.808 -3.226 408 H THR 61 H THR 61 4.725 -3.739 -3.030 409 HA THR 61 HA THR 61 3.919 -1.312 -1.678 410 HB THR 61 HB THR 61 6.317 -1.846 -2.253 411 HG1 THR 61 1HG THR 61 6.645 0.258 -2.228 412 HG21 THR 61 1HG2 THR 61 6.228 -2.700 -4.441 413 HG22 THR 61 2HG2 THR 61 6.943 -1.098 -4.622 414 HG23 THR 61 3HG2 THR 61 5.244 -1.355 -5.018 415 H SER 62 H SER 62 2.022 -2.671 -3.492 416 HA SER 62 HA SER 62 1.633 -0.494 -5.441 417 HB2 SER 62 1HB SER 62 0.865 -3.413 -5.641 418 HB3 SER 62 2HB SER 62 0.324 -2.176 -6.775 419 HG SER 62 HG SER 62 3.057 -2.335 -6.276 420 H TRP 63 H TRP 63 0.758 -0.357 -2.750 421 HA TRP 63 HA TRP 63 -1.999 -1.076 -2.555 422 HB2 TRP 63 1HB TRP 63 -0.206 -0.552 -0.685 423 HB3 TRP 63 2HB TRP 63 -0.817 1.090 -0.868 424 HD1 TRP 63 HD TRP 63 -3.444 -1.534 -1.364 425 HE1 TRP 63 1HE TRP 63 -4.982 -1.628 0.698 426 HE3 TRP 63 3HE TRP 63 -0.707 1.380 1.823 427 HZ2 TRP 63 2HZ TRP 63 -5.029 -0.602 3.327 428 HZ3 TRP 63 3HZ TRP 63 -1.569 1.775 4.094 429 HH2 TRP 63 HH TRP 63 -3.686 0.805 4.828 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -26.350 -1.594 11.545 2 HA2 GLY 1 1HA GLY 1 -26.116 -2.504 8.775 3 HA3 GLY 1 2HA GLY 1 -27.555 -1.835 9.530 4 H SER 2 H SER 2 -24.403 -1.037 8.177 5 HA SER 2 HA SER 2 -25.403 1.691 7.682 6 HB2 SER 2 1HB SER 2 -23.393 1.257 9.363 7 HB3 SER 2 2HB SER 2 -22.465 1.187 7.865 8 HG SER 2 HG SER 2 -23.696 3.267 7.420 9 H SER 3 H SER 3 -24.499 2.742 5.772 10 HA SER 3 HA SER 3 -23.619 0.833 3.711 11 HB2 SER 3 1HB SER 3 -26.056 1.436 3.500 12 HB3 SER 3 2HB SER 3 -25.556 3.104 3.221 13 HG SER 3 HG SER 3 -25.907 1.775 1.296 14 H GLY 4 H GLY 4 -22.913 2.177 1.667 15 HA2 GLY 4 1HA GLY 4 -21.914 4.761 1.865 16 HA3 GLY 4 2HA GLY 4 -20.652 3.695 2.464 17 H SER 5 H SER 5 -21.648 5.299 -0.187 18 HA SER 5 HA SER 5 -21.377 3.417 -2.268 19 HB2 SER 5 1HB SER 5 -22.416 5.579 -2.666 20 HB3 SER 5 2HB SER 5 -20.912 6.409 -2.268 21 HG SER 5 HG SER 5 -20.008 5.135 -4.083 22 H SER 6 H SER 6 -19.634 3.049 -3.703 23 HA SER 6 HA SER 6 -17.093 2.888 -2.395 24 HB2 SER 6 1HB SER 6 -16.345 1.917 -4.596 25 HB3 SER 6 2HB SER 6 -17.717 1.088 -3.862 26 HG SER 6 HG SER 6 -17.560 2.459 -6.222 27 H GLY 7 H GLY 7 -15.122 3.835 -3.077 28 HA2 GLY 7 1HA GLY 7 -15.438 6.256 -4.738 29 HA3 GLY 7 2HA GLY 7 -14.567 6.302 -3.212 30 H VAL 8 H VAL 8 -12.850 7.165 -4.644 31 HA VAL 8 HA VAL 8 -11.583 5.402 -6.513 32 HB VAL 8 HB VAL 8 -10.457 7.901 -5.243 33 HG11 VAL 8 1HG1 VAL 8 -9.555 6.073 -7.389 34 HG12 VAL 8 2HG1 VAL 8 -9.335 7.802 -7.665 35 HG13 VAL 8 3HG1 VAL 8 -8.616 7.036 -6.248 36 HG21 VAL 8 1HG2 VAL 8 -12.707 7.733 -6.823 37 HG22 VAL 8 2HG2 VAL 8 -11.709 9.168 -6.592 38 HG23 VAL 8 3HG2 VAL 8 -11.429 8.114 -7.978 39 H PHE 9 H PHE 9 -9.758 4.175 -6.272 40 HA PHE 9 HA PHE 9 -8.969 3.609 -3.510 41 HB2 PHE 9 1HB PHE 9 -8.363 2.048 -6.030 42 HB3 PHE 9 2HB PHE 9 -8.042 1.528 -4.379 43 HD1 PHE 9 2HD PHE 9 -9.947 1.031 -2.857 44 HD2 PHE 9 1HD PHE 9 -10.487 1.772 -7.014 45 HE1 PHE 9 2HE PHE 9 -12.176 -0.005 -2.749 46 HE2 PHE 9 1HE PHE 9 -12.718 0.738 -6.911 47 HZ PHE 9 HZ PHE 9 -13.564 -0.153 -4.777 48 H HIS 10 H HIS 10 -8.022 5.996 -4.768 49 HA HIS 10 HA HIS 10 -5.379 5.651 -5.753 50 HB2 HIS 10 1HB HIS 10 -6.162 7.699 -6.404 51 HB3 HIS 10 2HB HIS 10 -7.075 7.942 -4.917 52 HD1 HIS 10 1HD HIS 10 -3.418 7.887 -5.979 53 HD2 HIS 10 2HD HIS 10 -5.956 9.789 -3.296 54 HE1 HIS 10 1HE HIS 10 -1.999 9.604 -4.813 55 HA PRO 11 HA PRO 11 -4.017 6.970 -1.308 56 HB2 PRO 11 1HB PRO 11 -5.928 6.998 0.620 57 HB3 PRO 11 2HB PRO 11 -5.550 8.406 -0.378 58 HG2 PRO 11 1HG PRO 11 -7.776 6.424 -0.663 59 HG3 PRO 11 2HG PRO 11 -7.822 8.190 -0.825 60 HD2 PRO 11 1HD PRO 11 -7.740 6.531 -2.964 61 HD3 PRO 11 2HD PRO 11 -6.988 8.140 -2.974 62 H VAL 12 H VAL 12 -4.205 5.843 1.046 63 HA VAL 12 HA VAL 12 -3.827 3.053 0.532 64 HB VAL 12 HB VAL 12 -3.831 4.566 3.147 65 HG11 VAL 12 1HG1 VAL 12 -3.957 2.519 4.049 66 HG12 VAL 12 2HG1 VAL 12 -3.601 1.720 2.517 67 HG13 VAL 12 3HG1 VAL 12 -2.286 2.342 3.514 68 HG21 VAL 12 1HG2 VAL 12 -1.595 4.931 2.891 69 HG22 VAL 12 2HG2 VAL 12 -1.362 3.501 1.885 70 HG23 VAL 12 3HG2 VAL 12 -2.079 4.957 1.195 71 H GLU 13 H GLU 13 -5.570 1.819 0.174 72 HA GLU 13 HA GLU 13 -7.821 2.040 2.064 73 HB2 GLU 13 1HB GLU 13 -7.854 1.231 -0.848 74 HB3 GLU 13 2HB GLU 13 -9.236 1.104 0.231 75 HG2 GLU 13 1HG GLU 13 -7.866 3.730 -0.103 76 HG3 GLU 13 2HG GLU 13 -8.978 3.157 -1.344 77 H CYS 14 H CYS 14 -9.185 -0.204 1.653 78 HA CYS 14 HA CYS 14 -7.320 -2.455 1.800 79 HB2 CYS 14 1HB CYS 14 -8.026 -1.378 4.117 80 HB3 CYS 14 2HB CYS 14 -9.484 -2.329 3.853 81 H SER 15 H SER 15 -8.780 -4.543 2.215 82 HA SER 15 HA SER 15 -10.788 -4.474 0.085 83 HB2 SER 15 1HB SER 15 -9.094 -6.633 1.292 84 HB3 SER 15 2HB SER 15 -10.582 -7.064 0.451 85 HG SER 15 HG SER 15 -8.643 -5.375 -0.719 86 H TYR 16 H TYR 16 -10.359 -5.688 3.396 87 HA TYR 16 HA TYR 16 -13.192 -6.276 3.620 88 HB2 TYR 16 1HB TYR 16 -11.498 -7.783 4.622 89 HB3 TYR 16 2HB TYR 16 -11.009 -6.484 5.704 90 HD1 TYR 16 2HD TYR 16 -12.690 -5.603 7.373 91 HD2 TYR 16 1HD TYR 16 -13.335 -9.167 5.140 92 HE1 TYR 16 2HE TYR 16 -14.404 -6.301 8.992 93 HE2 TYR 16 1HE TYR 16 -15.052 -9.874 6.752 94 HH TYR 16 HH TYR 16 -16.430 -7.814 8.990 95 H CYS 17 H CYS 17 -10.942 -4.459 5.709 96 HA CYS 17 HA CYS 17 -13.004 -2.952 6.935 97 HB2 CYS 17 1HB CYS 17 -11.319 -1.901 8.158 98 HB3 CYS 17 2HB CYS 17 -10.600 -3.461 7.772 99 H HIS 18 H HIS 18 -11.345 -2.623 3.965 100 HA HIS 18 HA HIS 18 -11.023 -0.784 2.564 101 HB2 HIS 18 1HB HIS 18 -13.439 0.027 1.928 102 HB3 HIS 18 2HB HIS 18 -12.931 -1.618 1.558 103 HD1 HIS 18 1HD HIS 18 -14.703 -3.242 2.082 104 HD2 HIS 18 2HD HIS 18 -14.739 -0.033 4.721 105 HE1 HIS 18 1HE HIS 18 -16.599 -3.699 3.671 106 H SER 19 H SER 19 -10.304 0.195 4.950 107 HA SER 19 HA SER 19 -11.877 2.415 5.811 108 HB2 SER 19 1HB SER 19 -10.142 1.110 7.178 109 HB3 SER 19 2HB SER 19 -8.927 2.069 6.334 110 HG SER 19 HG SER 19 -9.328 3.563 7.740 111 H GLU 20 H GLU 20 -10.609 4.627 5.990 112 HA GLU 20 HA GLU 20 -9.702 5.297 3.268 113 HB2 GLU 20 1HB GLU 20 -10.607 7.558 3.668 114 HB3 GLU 20 2HB GLU 20 -11.849 6.317 3.759 115 HG2 GLU 20 1HG GLU 20 -12.129 6.564 6.021 116 HG3 GLU 20 2HG GLU 20 -10.504 7.203 6.262 117 H SER 21 H SER 21 -9.176 5.743 6.703 118 HA SER 21 HA SER 21 -7.299 7.742 6.773 119 HB2 SER 21 1HB SER 21 -8.267 6.422 8.728 120 HB3 SER 21 2HB SER 21 -7.025 5.213 8.401 121 HG SER 21 HG SER 21 -5.496 7.005 8.616 122 H MET 22 H MET 22 -5.192 7.983 6.262 123 HA MET 22 HA MET 22 -3.992 6.005 4.545 124 HB2 MET 22 1HB MET 22 -3.857 8.523 4.226 125 HB3 MET 22 2HB MET 22 -2.708 8.539 5.557 126 HG2 MET 22 1HG MET 22 -1.473 6.739 4.125 127 HG3 MET 22 2HG MET 22 -2.409 7.442 2.807 128 HE1 MET 22 1HE MET 22 -0.129 7.777 1.695 129 HE2 MET 22 2HE MET 22 -1.088 9.203 1.300 130 HE3 MET 22 3HE MET 22 0.606 9.379 1.763 131 H MET 23 H MET 23 -3.336 4.224 5.647 132 HA MET 23 HA MET 23 -0.919 4.308 7.081 133 HB2 MET 23 1HB MET 23 -1.711 3.593 9.301 134 HB3 MET 23 2HB MET 23 -2.264 5.213 8.895 135 HG2 MET 23 1HG MET 23 -4.458 4.368 8.348 136 HG3 MET 23 2HG MET 23 -3.919 2.714 8.631 137 HE1 MET 23 1HE MET 23 -3.714 5.924 11.801 138 HE2 MET 23 2HE MET 23 -3.672 6.123 10.049 139 HE3 MET 23 3HE MET 23 -5.220 6.056 10.893 140 H GLY 24 H GLY 24 0.019 2.324 7.102 141 HA2 GLY 24 1HA GLY 24 0.037 -0.042 7.204 142 HA3 GLY 24 2HA GLY 24 -1.672 -0.047 6.791 143 H PHE 25 H PHE 25 -0.212 -1.813 5.477 144 HA PHE 25 HA PHE 25 0.064 -0.633 2.795 145 HB2 PHE 25 1HB PHE 25 1.957 -2.367 4.299 146 HB3 PHE 25 2HB PHE 25 1.780 -2.673 2.574 147 HD1 PHE 25 2HD PHE 25 1.928 0.417 4.666 148 HD2 PHE 25 1HD PHE 25 3.516 -1.778 1.383 149 HE1 PHE 25 2HE PHE 25 3.477 2.266 4.183 150 HE2 PHE 25 1HE PHE 25 5.069 0.067 0.896 151 HZ PHE 25 HZ PHE 25 5.050 2.093 2.296 152 H ARG 26 H ARG 26 0.005 -2.402 1.068 153 HA ARG 26 HA ARG 26 -2.402 -3.931 1.487 154 HB2 ARG 26 1HB ARG 26 -2.109 -2.803 -0.631 155 HB3 ARG 26 2HB ARG 26 -0.586 -3.636 -0.909 156 HG2 ARG 26 1HG ARG 26 -1.615 -5.630 -1.431 157 HG3 ARG 26 2HG ARG 26 -3.088 -5.219 -0.551 158 HD2 ARG 26 1HD ARG 26 -3.939 -3.987 -2.274 159 HD3 ARG 26 2HD ARG 26 -2.346 -3.526 -2.872 160 HE ARG 26 HE ARG 26 -2.383 -6.134 -3.432 161 HH11 ARG 26 2HH1 ARG 26 -4.764 -3.648 -3.952 162 HH12 ARG 26 1HH1 ARG 26 -5.428 -4.397 -5.366 163 HH21 ARG 26 2HH2 ARG 26 -3.248 -7.130 -5.293 164 HH22 ARG 26 1HH2 ARG 26 -4.565 -6.378 -6.127 165 H TYR 27 H TYR 27 -2.359 -5.856 2.429 166 HA TYR 27 HA TYR 27 -0.042 -7.611 1.940 167 HB2 TYR 27 1HB TYR 27 -1.820 -7.331 4.361 168 HB3 TYR 27 2HB TYR 27 -0.760 -8.715 4.122 169 HD1 TYR 27 1HD TYR 27 1.700 -8.397 4.098 170 HD2 TYR 27 2HD TYR 27 -0.959 -5.218 5.063 171 HE1 TYR 27 1HE TYR 27 3.568 -7.144 5.094 172 HE2 TYR 27 2HE TYR 27 0.901 -3.956 6.060 173 HH TYR 27 HH TYR 27 3.688 -5.218 6.991 174 H ARG 28 H ARG 28 -0.476 -9.258 0.648 175 HA ARG 28 HA ARG 28 -3.237 -10.255 0.491 176 HB2 ARG 28 1HB ARG 28 -2.055 -9.389 -1.590 177 HB3 ARG 28 2HB ARG 28 -1.017 -10.804 -1.474 178 HG2 ARG 28 1HG ARG 28 -3.173 -12.171 -1.498 179 HG3 ARG 28 2HG ARG 28 -3.957 -10.684 -2.034 180 HD2 ARG 28 1HD ARG 28 -2.125 -10.612 -3.834 181 HD3 ARG 28 2HD ARG 28 -1.842 -12.301 -3.415 182 HE ARG 28 HE ARG 28 -3.923 -12.856 -4.315 183 HH11 ARG 28 2HH1 ARG 28 -3.334 -9.428 -4.454 184 HH12 ARG 28 1HH1 ARG 28 -4.612 -9.122 -5.582 185 HH21 ARG 28 2HH2 ARG 28 -5.609 -12.466 -5.801 186 HH22 ARG 28 1HH2 ARG 28 -5.906 -10.851 -6.347 187 H CYS 29 H CYS 29 -3.721 -12.246 1.167 188 HA CYS 29 HA CYS 29 -2.061 -13.783 2.739 189 HB2 CYS 29 1HB CYS 29 -4.386 -14.202 2.868 190 HB3 CYS 29 2HB CYS 29 -4.508 -14.508 1.138 191 H GLN 30 H GLN 30 -1.254 -16.001 2.346 192 HA GLN 30 HA GLN 30 0.503 -16.031 0.110 193 HB2 GLN 30 1HB GLN 30 -0.156 -18.095 2.209 194 HB3 GLN 30 2HB GLN 30 1.045 -18.360 0.951 195 HG2 GLN 30 1HG GLN 30 1.985 -16.068 1.867 196 HG3 GLN 30 2HG GLN 30 1.137 -16.585 3.324 197 HE21 GLN 30 1HE2 GLN 30 4.060 -16.408 2.269 198 HE22 GLN 30 2HE2 GLN 30 4.747 -17.895 2.816 199 H GLN 31 H GLN 31 -1.734 -18.638 1.031 200 HA GLN 31 HA GLN 31 -2.263 -19.064 -1.832 201 HB2 GLN 31 1HB GLN 31 -1.222 -20.879 -0.232 202 HB3 GLN 31 2HB GLN 31 -2.897 -21.118 0.246 203 HG2 GLN 31 1HG GLN 31 -2.618 -22.681 -1.422 204 HG3 GLN 31 2HG GLN 31 -3.351 -21.328 -2.283 205 HE21 GLN 31 1HE2 GLN 31 -0.826 -23.512 -2.229 206 HE22 GLN 31 2HE2 GLN 31 0.195 -22.765 -3.405 207 H CYS 32 H CYS 32 -4.076 -17.996 -2.348 208 HA CYS 32 HA CYS 32 -6.584 -18.880 -1.423 209 HB2 CYS 32 1HB CYS 32 -5.420 -16.501 -0.083 210 HB3 CYS 32 2HB CYS 32 -7.110 -16.386 -0.564 211 H HIS 33 H HIS 33 -8.383 -17.681 -2.410 212 HA HIS 33 HA HIS 33 -7.754 -16.938 -5.088 213 HB2 HIS 33 1HB HIS 33 -10.264 -17.120 -3.468 214 HB3 HIS 33 2HB HIS 33 -10.299 -16.273 -5.012 215 HD1 HIS 33 1HD HIS 33 -9.268 -17.824 -7.075 216 HD2 HIS 33 2HD HIS 33 -10.733 -19.769 -3.708 217 HE1 HIS 33 1HE HIS 33 -9.707 -20.191 -7.803 218 H ASN 34 H ASN 34 -9.674 -15.066 -2.744 219 HA ASN 34 HA ASN 34 -8.160 -12.668 -3.501 220 HB2 ASN 34 1HB ASN 34 -10.159 -12.577 -4.849 221 HB3 ASN 34 2HB ASN 34 -11.171 -12.935 -3.453 222 HD21 ASN 34 1HD2 ASN 34 -12.385 -11.113 -3.484 223 HD22 ASN 34 2HD2 ASN 34 -11.753 -9.530 -3.202 224 H TYR 35 H TYR 35 -7.108 -12.803 -1.488 225 HA TYR 35 HA TYR 35 -8.779 -11.927 0.766 226 HB2 TYR 35 1HB TYR 35 -7.925 -14.428 0.760 227 HB3 TYR 35 2HB TYR 35 -6.424 -13.687 1.303 228 HD1 TYR 35 2HD TYR 35 -10.031 -14.013 2.115 229 HD2 TYR 35 1HD TYR 35 -6.144 -13.044 3.547 230 HE1 TYR 35 2HE TYR 35 -10.900 -13.954 4.415 231 HE2 TYR 35 1HE TYR 35 -7.002 -12.983 5.851 232 HH TYR 35 HH TYR 35 -10.375 -13.068 6.559 233 H GLN 36 H GLN 36 -8.164 -9.845 0.893 234 HA GLN 36 HA GLN 36 -5.283 -9.307 1.187 235 HB2 GLN 36 1HB GLN 36 -7.390 -7.791 -0.312 236 HB3 GLN 36 2HB GLN 36 -5.999 -6.940 0.347 237 HG2 GLN 36 1HG GLN 36 -4.539 -7.901 -1.112 238 HG3 GLN 36 2HG GLN 36 -5.500 -9.370 -1.278 239 HE21 GLN 36 1HE2 GLN 36 -7.483 -9.213 -2.528 240 HE22 GLN 36 2HE2 GLN 36 -7.555 -8.107 -3.854 241 H LEU 37 H LEU 37 -4.677 -7.730 2.704 242 HA LEU 37 HA LEU 37 -6.701 -6.491 4.362 243 HB2 LEU 37 1HB LEU 37 -4.731 -8.449 5.535 244 HB3 LEU 37 2HB LEU 37 -5.849 -7.437 6.448 245 HG LEU 37 HG LEU 37 -6.749 -9.544 4.491 246 HD11 LEU 37 1HD1 LEU 37 -6.018 -9.742 7.380 247 HD12 LEU 37 2HD1 LEU 37 -5.692 -10.863 6.058 248 HD13 LEU 37 3HD1 LEU 37 -7.319 -10.740 6.728 249 HD21 LEU 37 1HD2 LEU 37 -8.276 -8.382 6.797 250 HD22 LEU 37 2HD2 LEU 37 -8.886 -9.235 5.378 251 HD23 LEU 37 3HD2 LEU 37 -8.253 -7.596 5.218 252 H CYS 38 H CYS 38 -5.848 -4.881 5.787 253 HA CYS 38 HA CYS 38 -3.306 -3.804 4.828 254 HB2 CYS 38 1HB CYS 38 -4.007 -1.702 5.780 255 HB3 CYS 38 2HB CYS 38 -5.346 -2.366 4.848 256 H GLN 39 H GLN 39 -2.018 -2.576 6.564 257 HA GLN 39 HA GLN 39 -0.762 -4.277 8.259 258 HB2 GLN 39 1HB GLN 39 0.146 -2.095 7.849 259 HB3 GLN 39 2HB GLN 39 -1.237 -1.316 8.606 260 HG2 GLN 39 1HG GLN 39 -0.469 -2.671 10.706 261 HG3 GLN 39 2HG GLN 39 1.075 -2.711 9.857 262 HE21 GLN 39 1HE2 GLN 39 -0.334 -1.200 12.239 263 HE22 GLN 39 2HE2 GLN 39 0.285 0.403 12.057 264 H ASP 40 H ASP 40 -3.527 -2.214 9.106 265 HA ASP 40 HA ASP 40 -3.711 -3.009 11.798 266 HB2 ASP 40 1HB ASP 40 -5.994 -2.108 10.033 267 HB3 ASP 40 2HB ASP 40 -5.900 -1.999 11.789 268 H CYS 41 H CYS 41 -5.810 -3.981 9.079 269 HA CYS 41 HA CYS 41 -7.300 -5.918 10.258 270 HB2 CYS 41 1HB CYS 41 -6.139 -5.754 7.490 271 HB3 CYS 41 2HB CYS 41 -7.140 -7.122 7.965 272 H PHE 42 H PHE 42 -4.187 -6.555 8.633 273 HA PHE 42 HA PHE 42 -3.946 -9.232 9.299 274 HB2 PHE 42 1HB PHE 42 -2.473 -7.914 7.728 275 HB3 PHE 42 2HB PHE 42 -1.634 -7.294 9.146 276 HD1 PHE 42 2HD PHE 42 -2.861 -10.688 8.200 277 HD2 PHE 42 1HD PHE 42 0.447 -8.244 9.295 278 HE1 PHE 42 2HE PHE 42 -1.401 -12.668 8.196 279 HE2 PHE 42 1HE PHE 42 1.913 -10.220 9.292 280 HZ PHE 42 HZ PHE 42 0.989 -12.436 8.743 281 H TRP 43 H TRP 43 -2.481 -6.474 11.023 282 HA TRP 43 HA TRP 43 -1.295 -7.729 13.117 283 HB2 TRP 43 1HB TRP 43 -2.785 -5.123 12.977 284 HB3 TRP 43 2HB TRP 43 -2.072 -5.665 14.494 285 HD1 TRP 43 HD TRP 43 -0.441 -6.018 11.008 286 HE1 TRP 43 1HE TRP 43 1.785 -4.726 11.033 287 HE3 TRP 43 3HE TRP 43 -0.772 -3.920 15.659 288 HZ2 TRP 43 2HZ TRP 43 3.212 -3.041 12.791 289 HZ3 TRP 43 3HZ TRP 43 1.067 -2.482 16.437 290 HH2 TRP 43 HH TRP 43 3.017 -2.053 15.031 291 H ARG 44 H ARG 44 -4.710 -6.704 13.059 292 HA ARG 44 HA ARG 44 -5.383 -7.829 15.552 293 HB2 ARG 44 1HB ARG 44 -7.185 -7.299 13.182 294 HB3 ARG 44 2HB ARG 44 -7.709 -7.551 14.842 295 HG2 ARG 44 1HG ARG 44 -5.787 -5.354 14.268 296 HG3 ARG 44 2HG ARG 44 -7.485 -5.142 13.839 297 HD2 ARG 44 1HD ARG 44 -8.191 -5.271 16.043 298 HD3 ARG 44 2HD ARG 44 -6.734 -6.117 16.563 299 HE ARG 44 HE ARG 44 -6.329 -3.405 15.640 300 HH11 ARG 44 2HH1 ARG 44 -6.916 -5.504 18.354 301 HH12 ARG 44 1HH1 ARG 44 -6.302 -4.381 19.522 302 HH21 ARG 44 2HH2 ARG 44 -5.518 -1.918 17.168 303 HH22 ARG 44 1HH2 ARG 44 -5.508 -2.341 18.846 304 H GLY 45 H GLY 45 -5.484 -9.110 12.262 305 HA2 GLY 45 1HA GLY 45 -5.162 -11.413 11.778 306 HA3 GLY 45 2HA GLY 45 -5.725 -11.803 13.397 307 H HIS 46 H HIS 46 -6.531 -11.802 10.173 308 HA HIS 46 HA HIS 46 -9.397 -12.019 10.818 309 HB2 HIS 46 1HB HIS 46 -8.018 -10.597 8.596 310 HB3 HIS 46 2HB HIS 46 -9.536 -11.409 8.221 311 HD1 HIS 46 1HD HIS 46 -10.788 -9.196 7.853 312 HD2 HIS 46 2HD HIS 46 -9.147 -9.587 11.651 313 HE1 HIS 46 1HE HIS 46 -11.811 -7.351 9.221 314 H ALA 47 H ALA 47 -10.574 -13.636 9.763 315 HA ALA 47 HA ALA 47 -9.544 -15.330 7.764 316 HB1 ALA 47 1HB ALA 47 -9.529 -16.666 10.454 317 HB2 ALA 47 2HB ALA 47 -8.889 -17.264 8.923 318 HB3 ALA 47 3HB ALA 47 -8.082 -15.936 9.758 319 H GLY 48 H GLY 48 -10.823 -17.613 7.985 320 HA2 GLY 48 1HA GLY 48 -13.342 -17.622 9.231 321 HA3 GLY 48 2HA GLY 48 -13.530 -16.970 7.610 322 H GLY 49 H GLY 49 -14.950 -19.098 7.899 323 HA2 GLY 49 1HA GLY 49 -14.084 -21.644 7.862 324 HA3 GLY 49 2HA GLY 49 -15.326 -21.080 6.754 325 H SER 50 H SER 50 -13.441 -19.282 5.368 326 HA SER 50 HA SER 50 -12.293 -21.300 3.607 327 HB2 SER 50 1HB SER 50 -13.520 -19.675 2.410 328 HB3 SER 50 2HB SER 50 -12.814 -18.344 3.327 329 HG SER 50 HG SER 50 -11.344 -18.253 1.846 330 H HIS 51 H HIS 51 -11.087 -18.080 4.515 331 HA HIS 51 HA HIS 51 -8.372 -18.840 4.252 332 HB2 HIS 51 1HB HIS 51 -9.072 -16.525 3.955 333 HB3 HIS 51 2HB HIS 51 -9.609 -16.447 5.631 334 HD2 HIS 51 2HD HIS 51 -7.644 -15.858 7.469 335 HE1 HIS 51 1HE HIS 51 -4.402 -15.802 4.733 336 HE2 HIS 51 2HE HIS 51 -5.122 -15.406 7.113 337 H SER 52 H SER 52 -6.781 -19.150 5.829 338 HA SER 52 HA SER 52 -7.829 -19.969 8.458 339 HB2 SER 52 1HB SER 52 -6.703 -21.668 6.804 340 HB3 SER 52 2HB SER 52 -5.204 -20.950 7.391 341 HG SER 52 HG SER 52 -5.450 -21.970 9.210 342 H ASN 53 H ASN 53 -7.015 -19.068 10.256 343 HA ASN 53 HA ASN 53 -5.656 -16.676 10.248 344 HB2 ASN 53 1HB ASN 53 -5.068 -17.279 12.673 345 HB3 ASN 53 2HB ASN 53 -6.775 -17.251 12.241 346 HD21 ASN 53 1HD2 ASN 53 -4.176 -19.119 13.399 347 HD22 ASN 53 2HD2 ASN 53 -5.021 -20.616 13.566 348 H GLN 54 H GLN 54 -4.383 -19.879 9.968 349 HA GLN 54 HA GLN 54 -1.698 -19.256 10.710 350 HB2 GLN 54 1HB GLN 54 -3.037 -21.569 9.356 351 HB3 GLN 54 2HB GLN 54 -1.282 -21.456 9.360 352 HG2 GLN 54 1HG GLN 54 -1.125 -21.778 11.626 353 HG3 GLN 54 2HG GLN 54 -2.756 -21.183 11.931 354 HE21 GLN 54 1HE2 GLN 54 -3.867 -22.773 12.813 355 HE22 GLN 54 2HE2 GLN 54 -3.928 -24.405 12.248 356 H HIS 55 H HIS 55 -3.514 -19.257 7.709 357 HA HIS 55 HA HIS 55 -1.558 -19.193 5.799 358 HB2 HIS 55 1HB HIS 55 -4.185 -17.753 6.007 359 HB3 HIS 55 2HB HIS 55 -3.139 -17.505 4.612 360 HD2 HIS 55 2HD HIS 55 -3.079 -21.135 5.793 361 HE1 HIS 55 1HE HIS 55 -5.850 -20.924 2.588 362 HE2 HIS 55 2HE HIS 55 -4.606 -22.442 4.166 363 H GLN 56 H GLN 56 0.105 -17.916 5.319 364 HA GLN 56 HA GLN 56 0.578 -15.544 6.895 365 HB2 GLN 56 1HB GLN 56 2.163 -17.190 4.980 366 HB3 GLN 56 2HB GLN 56 2.667 -15.528 5.260 367 HG2 GLN 56 1HG GLN 56 2.302 -17.613 7.400 368 HG3 GLN 56 2HG GLN 56 3.844 -17.134 6.692 369 HE21 GLN 56 1HE2 GLN 56 1.617 -16.559 9.129 370 HE22 GLN 56 2HE2 GLN 56 2.257 -15.066 9.718 371 H MET 57 H MET 57 1.346 -13.522 5.828 372 HA MET 57 HA MET 57 -0.106 -13.008 3.318 373 HB2 MET 57 1HB MET 57 0.047 -11.247 5.767 374 HB3 MET 57 2HB MET 57 -0.562 -10.706 4.209 375 HG2 MET 57 1HG MET 57 -2.120 -12.817 4.484 376 HG3 MET 57 2HG MET 57 -1.778 -12.545 6.191 377 HE1 MET 57 1HE MET 57 -5.094 -11.424 4.184 378 HE2 MET 57 2HE MET 57 -4.087 -10.428 3.134 379 HE3 MET 57 3HE MET 57 -3.682 -12.125 3.393 380 H LYS 58 H LYS 58 0.911 -11.756 1.813 381 HA LYS 58 HA LYS 58 3.688 -11.002 2.430 382 HB2 LYS 58 1HB LYS 58 2.419 -11.566 -0.256 383 HB3 LYS 58 2HB LYS 58 4.112 -11.177 0.021 384 HG2 LYS 58 1HG LYS 58 2.721 -13.597 1.148 385 HG3 LYS 58 2HG LYS 58 3.671 -13.589 -0.340 386 HD2 LYS 58 1HD LYS 58 4.822 -12.637 2.265 387 HD3 LYS 58 2HD LYS 58 4.826 -14.346 1.826 388 HE2 LYS 58 1HE LYS 58 6.896 -13.593 1.080 389 HE3 LYS 58 2HE LYS 58 5.902 -13.558 -0.375 390 HZ1 LYS 58 1HZ LYS 58 7.345 -11.471 0.701 391 HZ2 LYS 58 2HZ LYS 58 5.726 -11.095 1.018 392 HZ3 LYS 58 3HZ LYS 58 6.231 -11.389 -0.570 393 H GLU 59 H GLU 59 4.516 -9.019 1.637 394 HA GLU 59 HA GLU 59 2.503 -6.922 1.523 395 HB2 GLU 59 1HB GLU 59 4.454 -6.693 3.028 396 HB3 GLU 59 2HB GLU 59 5.516 -6.710 1.627 397 HG2 GLU 59 1HG GLU 59 4.314 -4.675 0.804 398 HG3 GLU 59 2HG GLU 59 3.484 -4.621 2.358 399 H TYR 60 H TYR 60 2.033 -5.714 -0.226 400 HA TYR 60 HA TYR 60 3.742 -5.887 -2.592 401 HB2 TYR 60 1HB TYR 60 0.785 -6.521 -2.583 402 HB3 TYR 60 2HB TYR 60 1.749 -6.281 -4.036 403 HD1 TYR 60 2HD TYR 60 4.061 -7.771 -3.896 404 HD2 TYR 60 1HD TYR 60 0.322 -8.719 -2.101 405 HE1 TYR 60 2HE TYR 60 4.676 -10.153 -3.887 406 HE2 TYR 60 1HE TYR 60 0.927 -11.103 -2.085 407 HH TYR 60 HH TYR 60 2.491 -12.609 -2.539 408 H THR 61 H THR 61 3.979 -3.977 -3.563 409 HA THR 61 HA THR 61 2.342 -1.741 -2.628 410 HB THR 61 HB THR 61 4.867 -1.666 -4.291 411 HG1 THR 61 1HG THR 61 5.224 -2.501 -2.174 412 HG21 THR 61 1HG2 THR 61 4.620 0.708 -2.904 413 HG22 THR 61 2HG2 THR 61 2.966 0.357 -3.405 414 HG23 THR 61 3HG2 THR 61 4.249 0.463 -4.610 415 H SER 62 H SER 62 0.462 -2.157 -3.855 416 HA SER 62 HA SER 62 0.766 -1.691 -6.750 417 HB2 SER 62 1HB SER 62 -1.122 -3.052 -7.170 418 HB3 SER 62 2HB SER 62 -0.191 -3.938 -5.963 419 HG SER 62 HG SER 62 -1.955 -3.899 -4.834 420 H TRP 63 H TRP 63 -1.257 -1.045 -3.915 421 HA TRP 63 HA TRP 63 -3.249 0.504 -4.752 422 HB2 TRP 63 1HB TRP 63 -1.338 1.094 -2.491 423 HB3 TRP 63 2HB TRP 63 -2.811 2.023 -2.758 424 HD1 TRP 63 HD TRP 63 -4.396 -0.825 -3.642 425 HE1 TRP 63 1HE TRP 63 -5.269 -2.267 -1.697 426 HE3 TRP 63 3HE TRP 63 -1.501 1.058 0.127 427 HZ2 TRP 63 2HZ TRP 63 -4.794 -2.567 1.069 428 HZ3 TRP 63 3HZ TRP 63 -1.772 0.139 2.394 429 HH2 TRP 63 HH TRP 63 -3.386 -1.635 2.853 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -21.364 11.957 -2.389 2 HA2 GLY 1 1HA GLY 1 -22.645 9.901 -0.778 3 HA3 GLY 1 2HA GLY 1 -22.232 9.786 -2.483 4 H SER 2 H SER 2 -20.976 8.046 -2.683 5 HA SER 2 HA SER 2 -18.360 8.031 -1.558 6 HB2 SER 2 1HB SER 2 -18.501 6.080 -0.161 7 HB3 SER 2 2HB SER 2 -19.750 7.204 0.375 8 HG SER 2 HG SER 2 -20.000 4.766 -0.976 9 H SER 3 H SER 3 -17.192 7.337 -3.208 10 HA SER 3 HA SER 3 -17.745 4.820 -4.479 11 HB2 SER 3 1HB SER 3 -19.250 6.369 -5.722 12 HB3 SER 3 2HB SER 3 -17.839 7.321 -6.183 13 HG SER 3 HG SER 3 -18.801 5.302 -7.477 14 H GLY 4 H GLY 4 -16.063 4.280 -6.122 15 HA2 GLY 4 1HA GLY 4 -13.505 5.492 -5.307 16 HA3 GLY 4 2HA GLY 4 -13.701 3.862 -5.934 17 H SER 5 H SER 5 -13.536 7.256 -6.751 18 HA SER 5 HA SER 5 -13.317 6.531 -9.597 19 HB2 SER 5 1HB SER 5 -14.363 8.952 -8.192 20 HB3 SER 5 2HB SER 5 -13.631 9.156 -9.783 21 HG SER 5 HG SER 5 -15.305 8.230 -10.663 22 H SER 6 H SER 6 -11.137 5.989 -9.589 23 HA SER 6 HA SER 6 -9.037 7.304 -8.396 24 HB2 SER 6 1HB SER 6 -8.754 5.176 -9.558 25 HB3 SER 6 2HB SER 6 -9.068 5.956 -11.108 26 HG SER 6 HG SER 6 -7.170 7.362 -10.256 27 H GLY 7 H GLY 7 -7.962 9.164 -8.700 28 HA2 GLY 7 1HA GLY 7 -8.476 10.678 -11.177 29 HA3 GLY 7 2HA GLY 7 -8.649 11.453 -9.610 30 H VAL 8 H VAL 8 -6.825 12.012 -8.430 31 HA VAL 8 HA VAL 8 -4.472 12.495 -9.987 32 HB VAL 8 HB VAL 8 -4.964 12.925 -7.037 33 HG11 VAL 8 1HG1 VAL 8 -2.534 12.807 -8.197 34 HG12 VAL 8 2HG1 VAL 8 -2.928 14.507 -8.463 35 HG13 VAL 8 3HG1 VAL 8 -2.917 13.848 -6.826 36 HG21 VAL 8 1HG2 VAL 8 -4.773 15.281 -8.713 37 HG22 VAL 8 2HG2 VAL 8 -6.095 14.225 -9.210 38 HG23 VAL 8 3HG2 VAL 8 -6.019 14.821 -7.552 39 H PHE 9 H PHE 9 -5.014 10.683 -6.960 40 HA PHE 9 HA PHE 9 -3.037 8.718 -7.818 41 HB2 PHE 9 1HB PHE 9 -2.736 10.564 -5.501 42 HB3 PHE 9 2HB PHE 9 -2.214 8.896 -5.287 43 HD1 PHE 9 2HD PHE 9 -0.704 7.973 -7.252 44 HD2 PHE 9 1HD PHE 9 -1.212 12.087 -6.285 45 HE1 PHE 9 2HE PHE 9 1.426 8.495 -8.369 46 HE2 PHE 9 1HE PHE 9 0.916 12.616 -7.401 47 HZ PHE 9 HZ PHE 9 2.239 10.819 -8.444 48 H HIS 10 H HIS 10 -3.163 6.714 -6.685 49 HA HIS 10 HA HIS 10 -5.842 6.102 -5.816 50 HB2 HIS 10 1HB HIS 10 -4.178 4.650 -7.238 51 HB3 HIS 10 2HB HIS 10 -3.587 4.138 -5.661 52 HD1 HIS 10 1HD HIS 10 -5.649 2.872 -8.106 53 HD2 HIS 10 2HD HIS 10 -6.218 3.492 -4.037 54 HE1 HIS 10 1HE HIS 10 -7.518 1.326 -7.445 55 HA PRO 11 HA PRO 11 -4.853 6.859 -1.531 56 HB2 PRO 11 1HB PRO 11 -7.318 6.239 -0.578 57 HB3 PRO 11 2HB PRO 11 -6.951 7.779 -1.365 58 HG2 PRO 11 1HG PRO 11 -8.255 5.336 -2.501 59 HG3 PRO 11 2HG PRO 11 -8.695 7.041 -2.714 60 HD2 PRO 11 1HD PRO 11 -7.310 5.649 -4.579 61 HD3 PRO 11 2HD PRO 11 -7.074 7.389 -4.315 62 H VAL 12 H VAL 12 -5.438 5.564 0.565 63 HA VAL 12 HA VAL 12 -4.690 2.776 0.045 64 HB VAL 12 HB VAL 12 -4.571 4.320 2.640 65 HG11 VAL 12 1HG1 VAL 12 -4.659 1.621 2.336 66 HG12 VAL 12 2HG1 VAL 12 -2.921 1.922 2.279 67 HG13 VAL 12 3HG1 VAL 12 -3.865 2.455 3.671 68 HG21 VAL 12 1HG2 VAL 12 -3.043 5.085 0.761 69 HG22 VAL 12 2HG2 VAL 12 -2.261 4.632 2.276 70 HG23 VAL 12 3HG2 VAL 12 -2.246 3.518 0.909 71 H GLU 13 H GLU 13 -6.733 1.928 -0.431 72 HA GLU 13 HA GLU 13 -8.636 1.904 1.818 73 HB2 GLU 13 1HB GLU 13 -9.126 1.630 -1.149 74 HB3 GLU 13 2HB GLU 13 -10.350 1.311 0.071 75 HG2 GLU 13 1HG GLU 13 -10.467 3.548 0.714 76 HG3 GLU 13 2HG GLU 13 -8.927 3.942 -0.048 77 H CYS 14 H CYS 14 -9.127 0.010 2.738 78 HA CYS 14 HA CYS 14 -7.716 -2.355 1.897 79 HB2 CYS 14 1HB CYS 14 -8.309 -1.514 4.322 80 HB3 CYS 14 2HB CYS 14 -9.807 -2.394 4.037 81 H SER 15 H SER 15 -9.033 -4.494 2.013 82 HA SER 15 HA SER 15 -11.206 -4.221 0.074 83 HB2 SER 15 1HB SER 15 -9.128 -5.800 -0.160 84 HB3 SER 15 2HB SER 15 -10.046 -6.858 0.910 85 HG SER 15 HG SER 15 -11.021 -7.458 -0.846 86 H TYR 16 H TYR 16 -10.495 -5.615 3.236 87 HA TYR 16 HA TYR 16 -13.242 -6.533 3.534 88 HB2 TYR 16 1HB TYR 16 -11.367 -7.954 4.315 89 HB3 TYR 16 2HB TYR 16 -10.927 -6.705 5.474 90 HD1 TYR 16 2HD TYR 16 -12.837 -5.989 7.127 91 HD2 TYR 16 1HD TYR 16 -12.775 -9.665 4.987 92 HE1 TYR 16 2HE TYR 16 -14.383 -6.966 8.772 93 HE2 TYR 16 1HE TYR 16 -14.321 -10.653 6.625 94 HH TYR 16 HH TYR 16 -15.034 -10.314 8.920 95 H CYS 17 H CYS 17 -11.079 -4.773 5.751 96 HA CYS 17 HA CYS 17 -13.234 -3.510 7.101 97 HB2 CYS 17 1HB CYS 17 -11.598 -2.458 8.432 98 HB3 CYS 17 2HB CYS 17 -10.888 -4.010 8.000 99 H HIS 18 H HIS 18 -11.644 -2.836 4.183 100 HA HIS 18 HA HIS 18 -11.541 -1.009 2.804 101 HB2 HIS 18 1HB HIS 18 -14.017 -1.780 2.910 102 HB3 HIS 18 2HB HIS 18 -14.273 -0.310 3.845 103 HD1 HIS 18 1HD HIS 18 -15.142 1.490 2.410 104 HD2 HIS 18 2HD HIS 18 -12.464 -0.940 0.364 105 HE1 HIS 18 1HE HIS 18 -14.993 2.456 0.093 106 H SER 19 H SER 19 -10.095 -0.360 4.918 107 HA SER 19 HA SER 19 -10.996 1.930 6.348 108 HB2 SER 19 1HB SER 19 -9.169 0.335 7.083 109 HB3 SER 19 2HB SER 19 -8.121 1.112 5.897 110 HG SER 19 HG SER 19 -7.765 2.210 7.748 111 H GLU 20 H GLU 20 -9.402 3.939 6.276 112 HA GLU 20 HA GLU 20 -9.049 4.731 3.464 113 HB2 GLU 20 1HB GLU 20 -9.841 7.007 4.086 114 HB3 GLU 20 2HB GLU 20 -11.087 5.774 4.211 115 HG2 GLU 20 1HG GLU 20 -10.988 5.765 6.562 116 HG3 GLU 20 2HG GLU 20 -9.479 6.675 6.578 117 H SER 21 H SER 21 -8.051 5.030 6.801 118 HA SER 21 HA SER 21 -6.113 7.017 6.572 119 HB2 SER 21 1HB SER 21 -6.833 6.144 8.737 120 HB3 SER 21 2HB SER 21 -6.116 4.577 8.366 121 HG SER 21 HG SER 21 -4.113 5.991 8.064 122 H MET 22 H MET 22 -3.983 7.054 5.994 123 HA MET 22 HA MET 22 -3.088 5.206 4.066 124 HB2 MET 22 1HB MET 22 -2.391 7.703 4.590 125 HB3 MET 22 2HB MET 22 -1.139 6.919 5.544 126 HG2 MET 22 1HG MET 22 -0.414 5.686 3.551 127 HG3 MET 22 2HG MET 22 -1.644 6.520 2.605 128 HE1 MET 22 1HE MET 22 1.164 6.825 1.317 129 HE2 MET 22 2HE MET 22 2.352 7.756 2.229 130 HE3 MET 22 3HE MET 22 1.764 6.217 2.860 131 H MET 23 H MET 23 -2.214 5.667 7.475 132 HA MET 23 HA MET 23 -0.139 4.032 7.889 133 HB2 MET 23 1HB MET 23 -1.617 5.205 9.620 134 HB3 MET 23 2HB MET 23 -2.594 3.743 9.611 135 HG2 MET 23 1HG MET 23 -0.452 2.491 10.147 136 HG3 MET 23 2HG MET 23 0.256 4.070 10.479 137 HE1 MET 23 1HE MET 23 0.377 1.936 12.693 138 HE2 MET 23 2HE MET 23 0.864 3.610 12.964 139 HE3 MET 23 3HE MET 23 -0.217 2.810 14.105 140 H GLY 24 H GLY 24 0.286 2.197 6.816 141 HA2 GLY 24 1HA GLY 24 -0.159 -0.258 7.185 142 HA3 GLY 24 2HA GLY 24 -1.820 0.126 6.756 143 H PHE 25 H PHE 25 -0.306 -1.812 5.424 144 HA PHE 25 HA PHE 25 -0.124 -0.584 2.759 145 HB2 PHE 25 1HB PHE 25 1.818 -2.503 4.039 146 HB3 PHE 25 2HB PHE 25 1.728 -2.282 2.294 147 HD1 PHE 25 1HD PHE 25 1.486 0.485 1.826 148 HD2 PHE 25 2HD PHE 25 3.671 -1.480 4.906 149 HE1 PHE 25 1HE PHE 25 2.990 2.426 1.993 150 HE2 PHE 25 2HE PHE 25 5.178 0.457 5.078 151 HZ PHE 25 HZ PHE 25 4.838 2.414 3.621 152 H ARG 26 H ARG 26 -0.138 -2.346 1.015 153 HA ARG 26 HA ARG 26 -2.449 -4.010 1.507 154 HB2 ARG 26 1HB ARG 26 -0.938 -3.077 -0.862 155 HB3 ARG 26 2HB ARG 26 -1.724 -4.643 -1.016 156 HG2 ARG 26 1HG ARG 26 -3.845 -3.748 -0.789 157 HG3 ARG 26 2HG ARG 26 -3.252 -2.285 0.000 158 HD2 ARG 26 1HD ARG 26 -3.727 -1.473 -2.090 159 HD3 ARG 26 2HD ARG 26 -2.034 -1.922 -2.294 160 HE ARG 26 HE ARG 26 -3.207 -4.143 -3.113 161 HH11 ARG 26 2HH1 ARG 26 -4.021 -0.828 -3.795 162 HH12 ARG 26 1HH1 ARG 26 -4.684 -1.175 -5.357 163 HH21 ARG 26 2HH2 ARG 26 -4.078 -4.614 -5.168 164 HH22 ARG 26 1HH2 ARG 26 -4.718 -3.329 -6.136 165 H TYR 27 H TYR 27 -2.291 -5.990 2.303 166 HA TYR 27 HA TYR 27 0.104 -7.582 1.655 167 HB2 TYR 27 1HB TYR 27 -1.566 -7.826 4.162 168 HB3 TYR 27 2HB TYR 27 -0.042 -8.636 3.816 169 HD1 TYR 27 1HD TYR 27 1.944 -6.930 3.230 170 HD2 TYR 27 2HD TYR 27 -1.491 -5.997 5.560 171 HE1 TYR 27 1HE TYR 27 3.173 -5.082 4.290 172 HE2 TYR 27 2HE TYR 27 -0.272 -4.145 6.625 173 HH TYR 27 HH TYR 27 1.610 -2.969 6.678 174 H ARG 28 H ARG 28 -0.432 -9.063 0.195 175 HA ARG 28 HA ARG 28 -3.118 -10.210 0.198 176 HB2 ARG 28 1HB ARG 28 -2.216 -9.397 -1.933 177 HB3 ARG 28 2HB ARG 28 -0.856 -10.503 -1.786 178 HG2 ARG 28 1HG ARG 28 -2.311 -12.404 -1.994 179 HG3 ARG 28 2HG ARG 28 -3.734 -11.361 -1.974 180 HD2 ARG 28 1HD ARG 28 -1.572 -11.372 -4.077 181 HD3 ARG 28 2HD ARG 28 -3.180 -12.075 -4.245 182 HE ARG 28 HE ARG 28 -3.132 -9.259 -3.593 183 HH11 ARG 28 2HH1 ARG 28 -3.232 -11.662 -6.109 184 HH12 ARG 28 1HH1 ARG 28 -3.913 -10.589 -7.287 185 HH21 ARG 28 2HH2 ARG 28 -4.029 -7.837 -5.134 186 HH22 ARG 28 1HH2 ARG 28 -4.365 -8.413 -6.731 187 H CYS 29 H CYS 29 -3.544 -12.140 1.036 188 HA CYS 29 HA CYS 29 -1.866 -13.654 2.555 189 HB2 CYS 29 1HB CYS 29 -4.183 -14.128 2.667 190 HB3 CYS 29 2HB CYS 29 -4.279 -14.462 0.941 191 H GLN 30 H GLN 30 -0.993 -15.850 2.192 192 HA GLN 30 HA GLN 30 0.766 -15.856 -0.048 193 HB2 GLN 30 1HB GLN 30 0.234 -17.720 2.234 194 HB3 GLN 30 2HB GLN 30 1.213 -18.268 0.880 195 HG2 GLN 30 1HG GLN 30 2.462 -15.979 1.341 196 HG3 GLN 30 2HG GLN 30 1.805 -16.241 2.956 197 HE21 GLN 30 1HE2 GLN 30 4.420 -16.738 1.070 198 HE22 GLN 30 2HE2 GLN 30 5.107 -18.110 1.864 199 H GLN 31 H GLN 31 -1.389 -18.508 0.944 200 HA GLN 31 HA GLN 31 -1.898 -19.031 -1.906 201 HB2 GLN 31 1HB GLN 31 -0.814 -20.765 -0.235 202 HB3 GLN 31 2HB GLN 31 -2.490 -21.048 0.216 203 HG2 GLN 31 1HG GLN 31 -3.045 -21.893 -1.861 204 HG3 GLN 31 2HG GLN 31 -1.681 -21.109 -2.657 205 HE21 GLN 31 1HE2 GLN 31 0.157 -22.213 -2.917 206 HE22 GLN 31 2HE2 GLN 31 0.464 -23.790 -2.281 207 H CYS 32 H CYS 32 -3.737 -18.021 -2.450 208 HA CYS 32 HA CYS 32 -6.223 -18.956 -1.523 209 HB2 CYS 32 1HB CYS 32 -5.133 -16.530 -0.205 210 HB3 CYS 32 2HB CYS 32 -6.823 -16.467 -0.697 211 H HIS 33 H HIS 33 -8.063 -17.635 -2.433 212 HA HIS 33 HA HIS 33 -7.466 -16.998 -5.159 213 HB2 HIS 33 1HB HIS 33 -10.021 -16.836 -3.555 214 HB3 HIS 33 2HB HIS 33 -9.926 -16.478 -5.277 215 HD1 HIS 33 1HD HIS 33 -8.595 -18.670 -6.581 216 HD2 HIS 33 2HD HIS 33 -10.901 -19.352 -3.193 217 HE1 HIS 33 1HE HIS 33 -9.194 -21.112 -6.655 218 H ASN 34 H ASN 34 -9.414 -15.044 -2.919 219 HA ASN 34 HA ASN 34 -7.825 -12.689 -3.660 220 HB2 ASN 34 1HB ASN 34 -10.849 -12.715 -3.581 221 HB3 ASN 34 2HB ASN 34 -9.814 -11.363 -4.033 222 HD21 ASN 34 1HD2 ASN 34 -11.899 -12.520 -5.592 223 HD22 ASN 34 2HD2 ASN 34 -11.179 -13.137 -7.036 224 H TYR 35 H TYR 35 -6.871 -12.774 -1.600 225 HA TYR 35 HA TYR 35 -8.635 -11.829 0.552 226 HB2 TYR 35 1HB TYR 35 -7.785 -14.338 0.638 227 HB3 TYR 35 2HB TYR 35 -6.322 -13.581 1.256 228 HD1 TYR 35 2HD TYR 35 -9.981 -13.857 1.844 229 HD2 TYR 35 1HD TYR 35 -6.173 -12.936 3.505 230 HE1 TYR 35 2HE TYR 35 -10.990 -13.753 4.085 231 HE2 TYR 35 1HE TYR 35 -7.172 -12.830 5.751 232 HH TYR 35 HH TYR 35 -10.367 -13.916 6.394 233 H GLN 36 H GLN 36 -8.009 -9.751 0.665 234 HA GLN 36 HA GLN 36 -5.133 -9.220 1.024 235 HB2 GLN 36 1HB GLN 36 -7.218 -7.742 -0.526 236 HB3 GLN 36 2HB GLN 36 -5.902 -6.834 0.207 237 HG2 GLN 36 1HG GLN 36 -4.284 -7.902 -1.094 238 HG3 GLN 36 2HG GLN 36 -5.379 -9.208 -1.541 239 HE21 GLN 36 1HE2 GLN 36 -5.379 -5.658 -1.695 240 HE22 GLN 36 2HE2 GLN 36 -5.883 -5.561 -3.345 241 H LEU 37 H LEU 37 -4.518 -7.859 2.668 242 HA LEU 37 HA LEU 37 -6.575 -6.582 4.294 243 HB2 LEU 37 1HB LEU 37 -4.571 -8.539 5.409 244 HB3 LEU 37 2HB LEU 37 -5.659 -7.534 6.365 245 HG LEU 37 HG LEU 37 -6.542 -9.688 4.445 246 HD11 LEU 37 1HD1 LEU 37 -7.245 -10.735 6.714 247 HD12 LEU 37 2HD1 LEU 37 -5.984 -9.698 7.380 248 HD13 LEU 37 3HD1 LEU 37 -5.580 -10.902 6.156 249 HD21 LEU 37 1HD2 LEU 37 -8.615 -8.941 4.728 250 HD22 LEU 37 2HD2 LEU 37 -7.935 -7.514 5.511 251 HD23 LEU 37 3HD2 LEU 37 -8.421 -8.905 6.481 252 H CYS 38 H CYS 38 -5.654 -5.106 5.918 253 HA CYS 38 HA CYS 38 -3.130 -3.957 4.940 254 HB2 CYS 38 1HB CYS 38 -3.894 -1.851 5.964 255 HB3 CYS 38 2HB CYS 38 -5.052 -2.458 4.784 256 H GLN 39 H GLN 39 -2.047 -2.587 6.793 257 HA GLN 39 HA GLN 39 -0.803 -4.267 8.545 258 HB2 GLN 39 1HB GLN 39 0.010 -2.023 8.132 259 HB3 GLN 39 2HB GLN 39 -1.403 -1.329 8.916 260 HG2 GLN 39 1HG GLN 39 -0.705 -2.246 11.047 261 HG3 GLN 39 2HG GLN 39 0.677 -3.024 10.279 262 HE21 GLN 39 1HE2 GLN 39 -0.759 0.054 11.133 263 HE22 GLN 39 2HE2 GLN 39 0.708 0.965 11.098 264 H ASP 40 H ASP 40 -3.626 -2.227 9.276 265 HA ASP 40 HA ASP 40 -3.956 -2.999 11.938 266 HB2 ASP 40 1HB ASP 40 -5.153 -1.157 10.495 267 HB3 ASP 40 2HB ASP 40 -6.341 -2.428 10.219 268 H CYS 41 H CYS 41 -5.848 -4.163 9.143 269 HA CYS 41 HA CYS 41 -7.288 -6.149 10.302 270 HB2 CYS 41 1HB CYS 41 -5.995 -5.999 7.592 271 HB3 CYS 41 2HB CYS 41 -6.953 -7.400 8.057 272 H PHE 42 H PHE 42 -3.928 -6.394 9.202 273 HA PHE 42 HA PHE 42 -3.577 -9.123 9.792 274 HB2 PHE 42 1HB PHE 42 -2.074 -7.515 8.423 275 HB3 PHE 42 2HB PHE 42 -1.348 -7.115 9.976 276 HD1 PHE 42 2HD PHE 42 -2.490 -10.321 8.447 277 HD2 PHE 42 1HD PHE 42 0.714 -8.099 10.152 278 HE1 PHE 42 2HE PHE 42 -1.031 -12.294 8.267 279 HE2 PHE 42 1HE PHE 42 2.179 -10.068 9.974 280 HZ PHE 42 HZ PHE 42 1.307 -12.169 9.031 281 H TRP 43 H TRP 43 -2.506 -6.266 11.641 282 HA TRP 43 HA TRP 43 -1.473 -7.462 13.859 283 HB2 TRP 43 1HB TRP 43 -3.012 -4.915 13.499 284 HB3 TRP 43 2HB TRP 43 -2.521 -5.417 15.114 285 HD1 TRP 43 HD TRP 43 -0.484 -5.558 11.811 286 HE1 TRP 43 1HE TRP 43 1.719 -4.281 12.188 287 HE3 TRP 43 3HE TRP 43 -1.310 -3.906 16.578 288 HZ2 TRP 43 2HZ TRP 43 2.944 -2.774 14.236 289 HZ3 TRP 43 3HZ TRP 43 0.428 -2.553 17.675 290 HH2 TRP 43 HH TRP 43 2.511 -2.000 16.526 291 H ARG 44 H ARG 44 -4.903 -6.786 13.249 292 HA ARG 44 HA ARG 44 -5.767 -7.915 15.734 293 HB2 ARG 44 1HB ARG 44 -7.359 -7.297 13.238 294 HB3 ARG 44 2HB ARG 44 -8.028 -7.647 14.826 295 HG2 ARG 44 1HG ARG 44 -6.150 -5.353 14.405 296 HG3 ARG 44 2HG ARG 44 -7.879 -5.204 14.082 297 HD2 ARG 44 1HD ARG 44 -8.418 -5.728 16.349 298 HD3 ARG 44 2HD ARG 44 -6.746 -6.162 16.703 299 HE ARG 44 HE ARG 44 -7.137 -3.436 15.830 300 HH11 ARG 44 2HH1 ARG 44 -6.967 -5.622 18.535 301 HH12 ARG 44 1HH1 ARG 44 -6.578 -4.381 19.680 302 HH21 ARG 44 2HH2 ARG 44 -6.625 -1.794 17.328 303 HH22 ARG 44 1HH2 ARG 44 -6.385 -2.204 18.992 304 H GLY 45 H GLY 45 -5.534 -9.045 12.398 305 HA2 GLY 45 1HA GLY 45 -5.212 -11.277 11.748 306 HA3 GLY 45 2HA GLY 45 -5.698 -11.792 13.356 307 H HIS 46 H HIS 46 -6.606 -11.664 10.165 308 HA HIS 46 HA HIS 46 -9.439 -12.057 10.878 309 HB2 HIS 46 1HB HIS 46 -8.253 -10.723 8.443 310 HB3 HIS 46 2HB HIS 46 -9.931 -11.255 8.519 311 HD1 HIS 46 1HD HIS 46 -9.522 -8.338 8.083 312 HD2 HIS 46 2HD HIS 46 -9.676 -10.006 11.885 313 HE1 HIS 46 1HE HIS 46 -10.157 -6.451 9.620 314 H ALA 47 H ALA 47 -10.601 -13.613 9.646 315 HA ALA 47 HA ALA 47 -9.462 -15.211 7.628 316 HB1 ALA 47 1HB ALA 47 -9.517 -17.291 9.365 317 HB2 ALA 47 2HB ALA 47 -8.056 -16.426 8.889 318 HB3 ALA 47 3HB ALA 47 -8.879 -16.008 10.392 319 H GLY 48 H GLY 48 -10.712 -17.547 7.768 320 HA2 GLY 48 1HA GLY 48 -13.296 -17.590 8.874 321 HA3 GLY 48 2HA GLY 48 -13.401 -16.935 7.247 322 H GLY 49 H GLY 49 -14.799 -19.119 7.545 323 HA2 GLY 49 1HA GLY 49 -13.898 -21.637 7.518 324 HA3 GLY 49 2HA GLY 49 -15.094 -21.092 6.351 325 H SER 50 H SER 50 -13.198 -19.273 5.034 326 HA SER 50 HA SER 50 -11.902 -21.281 3.364 327 HB2 SER 50 1HB SER 50 -12.243 -18.303 2.930 328 HB3 SER 50 2HB SER 50 -11.602 -19.448 1.752 329 HG SER 50 HG SER 50 -13.620 -19.619 1.184 330 H HIS 51 H HIS 51 -10.861 -17.990 4.209 331 HA HIS 51 HA HIS 51 -8.114 -18.635 4.090 332 HB2 HIS 51 1HB HIS 51 -8.956 -16.355 3.735 333 HB3 HIS 51 2HB HIS 51 -9.471 -16.279 5.418 334 HD2 HIS 51 2HD HIS 51 -7.547 -15.446 7.173 335 HE1 HIS 51 1HE HIS 51 -4.280 -15.525 4.466 336 HE2 HIS 51 2HE HIS 51 -5.033 -14.962 6.803 337 H SER 52 H SER 52 -6.559 -18.659 5.799 338 HA SER 52 HA SER 52 -7.679 -19.526 8.384 339 HB2 SER 52 1HB SER 52 -6.571 -21.329 6.983 340 HB3 SER 52 2HB SER 52 -5.053 -20.466 7.222 341 HG SER 52 HG SER 52 -6.697 -21.285 9.375 342 H ASN 53 H ASN 53 -6.982 -18.515 10.167 343 HA ASN 53 HA ASN 53 -5.685 -16.092 10.125 344 HB2 ASN 53 1HB ASN 53 -5.307 -16.420 12.560 345 HB3 ASN 53 2HB ASN 53 -6.948 -16.821 12.062 346 HD21 ASN 53 1HD2 ASN 53 -5.561 -17.695 14.415 347 HD22 ASN 53 2HD2 ASN 53 -5.479 -19.419 14.340 348 H GLN 54 H GLN 54 -4.315 -19.260 9.993 349 HA GLN 54 HA GLN 54 -1.676 -18.517 10.816 350 HB2 GLN 54 1HB GLN 54 -2.767 -20.940 9.389 351 HB3 GLN 54 2HB GLN 54 -1.067 -20.757 9.800 352 HG2 GLN 54 1HG GLN 54 -1.681 -20.575 12.172 353 HG3 GLN 54 2HG GLN 54 -3.371 -20.827 11.736 354 HE21 GLN 54 1HE2 GLN 54 -4.004 -22.799 12.191 355 HE22 GLN 54 2HE2 GLN 54 -3.071 -24.241 12.013 356 H HIS 55 H HIS 55 -3.396 -18.702 7.771 357 HA HIS 55 HA HIS 55 -1.353 -18.684 5.933 358 HB2 HIS 55 1HB HIS 55 -4.055 -17.370 5.940 359 HB3 HIS 55 2HB HIS 55 -2.963 -17.168 4.573 360 HD2 HIS 55 2HD HIS 55 -2.670 -20.700 5.912 361 HE1 HIS 55 1HE HIS 55 -5.512 -20.848 2.765 362 HE2 HIS 55 2HE HIS 55 -4.123 -22.193 4.379 363 H GLN 56 H GLN 56 0.359 -17.422 5.687 364 HA GLN 56 HA GLN 56 0.511 -14.859 6.998 365 HB2 GLN 56 1HB GLN 56 2.434 -16.555 5.441 366 HB3 GLN 56 2HB GLN 56 2.824 -14.879 5.803 367 HG2 GLN 56 1HG GLN 56 3.072 -15.267 8.033 368 HG3 GLN 56 2HG GLN 56 1.940 -16.618 8.037 369 HE21 GLN 56 1HE2 GLN 56 3.222 -18.095 9.025 370 HE22 GLN 56 2HE2 GLN 56 4.682 -18.716 8.341 371 H MET 57 H MET 57 0.685 -12.853 6.042 372 HA MET 57 HA MET 57 -0.298 -12.712 3.285 373 HB2 MET 57 1HB MET 57 -0.057 -10.425 5.235 374 HB3 MET 57 2HB MET 57 -1.030 -10.499 3.772 375 HG2 MET 57 1HG MET 57 -1.497 -12.268 6.155 376 HG3 MET 57 2HG MET 57 -2.284 -10.708 5.931 377 HE1 MET 57 1HE MET 57 -5.072 -11.074 3.945 378 HE2 MET 57 2HE MET 57 -3.716 -10.038 4.392 379 HE3 MET 57 3HE MET 57 -3.792 -10.744 2.777 380 H LYS 58 H LYS 58 0.864 -11.853 1.654 381 HA LYS 58 HA LYS 58 3.630 -11.097 2.245 382 HB2 LYS 58 1HB LYS 58 2.369 -11.690 -0.436 383 HB3 LYS 58 2HB LYS 58 4.086 -11.518 -0.095 384 HG2 LYS 58 1HG LYS 58 4.039 -13.524 1.271 385 HG3 LYS 58 2HG LYS 58 2.302 -13.685 0.999 386 HD2 LYS 58 1HD LYS 58 4.363 -13.692 -1.203 387 HD3 LYS 58 2HD LYS 58 3.722 -15.153 -0.447 388 HE2 LYS 58 1HE LYS 58 1.411 -14.067 -1.060 389 HE3 LYS 58 2HE LYS 58 2.377 -13.190 -2.245 390 HZ1 LYS 58 1HZ LYS 58 2.005 -14.982 -3.507 391 HZ2 LYS 58 2HZ LYS 58 1.600 -15.970 -2.195 392 HZ3 LYS 58 3HZ LYS 58 3.225 -15.714 -2.590 393 H GLU 59 H GLU 59 4.524 -9.161 1.610 394 HA GLU 59 HA GLU 59 2.727 -6.951 1.378 395 HB2 GLU 59 1HB GLU 59 5.717 -6.898 0.975 396 HB3 GLU 59 2HB GLU 59 4.675 -5.563 1.447 397 HG2 GLU 59 1HG GLU 59 4.239 -6.614 3.581 398 HG3 GLU 59 2HG GLU 59 5.197 -8.017 3.109 399 H TYR 60 H TYR 60 1.911 -6.084 -0.406 400 HA TYR 60 HA TYR 60 3.216 -6.689 -2.979 401 HB2 TYR 60 1HB TYR 60 0.361 -6.701 -2.148 402 HB3 TYR 60 2HB TYR 60 0.722 -6.118 -3.769 403 HD1 TYR 60 1HD TYR 60 1.046 -9.026 -1.502 404 HD2 TYR 60 2HD TYR 60 1.281 -7.621 -5.511 405 HE1 TYR 60 1HE TYR 60 1.172 -11.348 -2.302 406 HE2 TYR 60 2HE TYR 60 1.407 -9.940 -6.322 407 HH TYR 60 HH TYR 60 0.657 -12.243 -5.437 408 H THR 61 H THR 61 4.028 -4.998 -4.007 409 HA THR 61 HA THR 61 3.510 -2.320 -3.087 410 HB THR 61 HB THR 61 5.150 -1.624 -4.779 411 HG1 THR 61 1HG THR 61 5.794 -2.955 -6.333 412 HG21 THR 61 1HG2 THR 61 5.734 -3.796 -2.838 413 HG22 THR 61 2HG2 THR 61 6.332 -2.138 -2.894 414 HG23 THR 61 3HG2 THR 61 7.006 -3.355 -3.977 415 H SER 62 H SER 62 1.237 -2.210 -3.600 416 HA SER 62 HA SER 62 0.636 -1.973 -6.466 417 HB2 SER 62 1HB SER 62 -0.824 -3.505 -5.253 418 HB3 SER 62 2HB SER 62 -1.221 -2.241 -4.089 419 HG SER 62 HG SER 62 -2.356 -2.750 -6.455 420 H TRP 63 H TRP 63 -0.286 -0.355 -3.421 421 HA TRP 63 HA TRP 63 -0.634 2.141 -4.909 422 HB2 TRP 63 1HB TRP 63 -1.707 2.957 -2.811 423 HB3 TRP 63 2HB TRP 63 -2.499 1.542 -3.498 424 HD1 TRP 63 HD TRP 63 0.689 1.034 -1.483 425 HE1 TRP 63 1HE TRP 63 0.102 -0.157 0.722 426 HE3 TRP 63 3HE TRP 63 -4.410 1.266 -1.768 427 HZ2 TRP 63 2HZ TRP 63 -2.216 -0.900 2.152 428 HZ3 TRP 63 3HZ TRP 63 -5.739 0.291 0.060 429 HH2 TRP 63 HH TRP 63 -4.662 -0.769 1.978 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -13.555 15.619 7.370 2 HA2 GLY 1 1HA GLY 1 -15.039 13.069 7.428 3 HA3 GLY 1 2HA GLY 1 -14.395 13.819 5.975 4 H SER 2 H SER 2 -13.061 12.924 9.160 5 HA SER 2 HA SER 2 -11.221 11.722 9.748 6 HB2 SER 2 1HB SER 2 -12.012 10.466 7.158 7 HB3 SER 2 2HB SER 2 -10.443 10.045 7.842 8 HG SER 2 HG SER 2 -12.743 9.980 9.457 9 H SER 3 H SER 3 -10.785 14.285 8.783 10 HA SER 3 HA SER 3 -9.276 15.663 7.717 11 HB2 SER 3 1HB SER 3 -7.389 13.613 8.902 12 HB3 SER 3 2HB SER 3 -7.001 15.288 8.507 13 HG SER 3 HG SER 3 -7.635 15.704 10.459 14 H GLY 4 H GLY 4 -10.335 13.897 5.852 15 HA2 GLY 4 1HA GLY 4 -8.551 12.360 4.381 16 HA3 GLY 4 2HA GLY 4 -9.949 13.182 3.706 17 H SER 5 H SER 5 -6.663 12.900 3.527 18 HA SER 5 HA SER 5 -5.717 15.487 3.147 19 HB2 SER 5 1HB SER 5 -4.212 13.576 3.270 20 HB3 SER 5 2HB SER 5 -4.866 12.931 1.765 21 HG SER 5 HG SER 5 -3.321 14.051 0.885 22 H SER 6 H SER 6 -5.661 16.894 1.452 23 HA SER 6 HA SER 6 -7.645 16.486 -0.621 24 HB2 SER 6 1HB SER 6 -5.880 18.867 -0.002 25 HB3 SER 6 2HB SER 6 -7.161 18.845 -1.213 26 HG SER 6 HG SER 6 -8.233 17.969 1.018 27 H GLY 7 H GLY 7 -7.178 15.616 -2.522 28 HA2 GLY 7 1HA GLY 7 -6.053 15.105 -4.462 29 HA3 GLY 7 2HA GLY 7 -4.938 16.409 -4.080 30 H VAL 8 H VAL 8 -5.441 13.027 -4.126 31 HA VAL 8 HA VAL 8 -2.901 12.565 -2.714 32 HB VAL 8 HB VAL 8 -3.603 10.216 -2.519 33 HG11 VAL 8 1HG1 VAL 8 -5.709 12.126 -1.512 34 HG12 VAL 8 2HG1 VAL 8 -5.321 10.538 -0.846 35 HG13 VAL 8 3HG1 VAL 8 -4.143 11.849 -0.751 36 HG21 VAL 8 1HG2 VAL 8 -5.905 9.576 -3.091 37 HG22 VAL 8 2HG2 VAL 8 -6.160 11.165 -3.812 38 HG23 VAL 8 3HG2 VAL 8 -4.983 10.057 -4.515 39 H PHE 9 H PHE 9 -1.644 10.645 -3.584 40 HA PHE 9 HA PHE 9 -1.268 11.052 -6.441 41 HB2 PHE 9 1HB PHE 9 0.372 9.932 -4.218 42 HB3 PHE 9 2HB PHE 9 0.703 9.361 -5.850 43 HD1 PHE 9 1HD PHE 9 -0.020 12.645 -4.223 44 HD2 PHE 9 2HD PHE 9 2.442 10.419 -6.887 45 HE1 PHE 9 1HE PHE 9 1.335 14.655 -4.644 46 HE2 PHE 9 2HE PHE 9 3.802 12.425 -7.312 47 HZ PHE 9 HZ PHE 9 3.249 14.547 -6.189 48 H HIS 10 H HIS 10 -1.625 8.288 -4.219 49 HA HIS 10 HA HIS 10 -2.937 6.814 -6.394 50 HB2 HIS 10 1HB HIS 10 -0.612 5.925 -4.717 51 HB3 HIS 10 2HB HIS 10 -1.746 4.740 -5.357 52 HD1 HIS 10 1HD HIS 10 1.396 5.961 -6.140 53 HD2 HIS 10 2HD HIS 10 -2.068 5.489 -8.385 54 HE1 HIS 10 1HE HIS 10 2.151 5.901 -8.538 55 HA PRO 11 HA PRO 11 -6.013 6.032 -3.341 56 HB2 PRO 11 1HB PRO 11 -7.218 3.894 -4.503 57 HB3 PRO 11 2HB PRO 11 -7.413 5.548 -5.097 58 HG2 PRO 11 1HG PRO 11 -5.617 3.373 -6.101 59 HG3 PRO 11 2HG PRO 11 -6.611 4.517 -7.021 60 HD2 PRO 11 1HD PRO 11 -3.946 4.852 -6.678 61 HD3 PRO 11 2HD PRO 11 -5.071 6.219 -6.812 62 H VAL 12 H VAL 12 -6.030 4.957 -1.462 63 HA VAL 12 HA VAL 12 -4.688 2.336 -1.334 64 HB VAL 12 HB VAL 12 -4.619 4.497 0.776 65 HG11 VAL 12 1HG1 VAL 12 -2.913 2.895 1.796 66 HG12 VAL 12 2HG1 VAL 12 -4.616 2.454 1.931 67 HG13 VAL 12 3HG1 VAL 12 -3.595 1.675 0.722 68 HG21 VAL 12 1HG2 VAL 12 -2.043 3.665 -0.107 69 HG22 VAL 12 2HG2 VAL 12 -3.008 4.099 -1.518 70 HG23 VAL 12 3HG2 VAL 12 -2.783 5.263 -0.212 71 H GLU 13 H GLU 13 -6.691 1.264 -1.514 72 HA GLU 13 HA GLU 13 -8.415 1.518 0.863 73 HB2 GLU 13 1HB GLU 13 -9.102 1.037 -2.017 74 HB3 GLU 13 2HB GLU 13 -10.169 0.456 -0.746 75 HG2 GLU 13 1HG GLU 13 -10.762 2.684 -1.715 76 HG3 GLU 13 2HG GLU 13 -10.585 2.645 0.038 77 H CYS 14 H CYS 14 -8.682 -0.247 2.078 78 HA CYS 14 HA CYS 14 -7.188 -2.612 1.503 79 HB2 CYS 14 1HB CYS 14 -7.905 -1.497 3.803 80 HB3 CYS 14 2HB CYS 14 -9.280 -2.583 3.631 81 H SER 15 H SER 15 -8.563 -4.761 2.176 82 HA SER 15 HA SER 15 -10.574 -4.968 0.054 83 HB2 SER 15 1HB SER 15 -8.536 -6.518 0.177 84 HB3 SER 15 2HB SER 15 -9.336 -7.274 1.555 85 HG SER 15 HG SER 15 -10.884 -6.929 -0.719 86 H TYR 16 H TYR 16 -10.074 -5.626 3.484 87 HA TYR 16 HA TYR 16 -12.886 -6.388 3.771 88 HB2 TYR 16 1HB TYR 16 -11.164 -7.824 4.821 89 HB3 TYR 16 2HB TYR 16 -10.652 -6.462 5.811 90 HD1 TYR 16 2HD TYR 16 -12.599 -5.345 7.221 91 HD2 TYR 16 1HD TYR 16 -12.670 -9.326 5.720 92 HE1 TYR 16 2HE TYR 16 -14.266 -5.952 8.925 93 HE2 TYR 16 1HE TYR 16 -14.338 -9.943 7.419 94 HH TYR 16 HH TYR 16 -15.602 -7.541 9.710 95 H CYS 17 H CYS 17 -10.625 -4.443 5.729 96 HA CYS 17 HA CYS 17 -12.693 -2.886 6.887 97 HB2 CYS 17 1HB CYS 17 -10.980 -1.695 7.995 98 HB3 CYS 17 2HB CYS 17 -10.361 -3.334 7.829 99 H HIS 18 H HIS 18 -11.169 -2.758 3.867 100 HA HIS 18 HA HIS 18 -10.989 -1.154 2.233 101 HB2 HIS 18 1HB HIS 18 -13.789 -1.042 3.277 102 HB3 HIS 18 2HB HIS 18 -13.292 0.121 2.052 103 HD1 HIS 18 1HD HIS 18 -13.384 -0.656 -0.312 104 HD2 HIS 18 2HD HIS 18 -13.469 -3.816 2.383 105 HE1 HIS 18 1HE HIS 18 -13.795 -2.712 -1.700 106 H SER 19 H SER 19 -9.592 -0.225 4.319 107 HA SER 19 HA SER 19 -10.361 2.168 5.504 108 HB2 SER 19 1HB SER 19 -8.219 0.662 5.815 109 HB3 SER 19 2HB SER 19 -7.514 1.792 4.659 110 HG SER 19 HG SER 19 -7.598 2.179 7.163 111 H GLU 20 H GLU 20 -9.106 4.304 5.030 112 HA GLU 20 HA GLU 20 -9.287 4.863 2.142 113 HB2 GLU 20 1HB GLU 20 -10.191 7.061 2.657 114 HB3 GLU 20 2HB GLU 20 -11.206 5.809 3.359 115 HG2 GLU 20 1HG GLU 20 -9.829 6.210 5.501 116 HG3 GLU 20 2HG GLU 20 -9.360 7.721 4.724 117 H SER 21 H SER 21 -7.822 5.792 5.226 118 HA SER 21 HA SER 21 -6.118 7.771 4.636 119 HB2 SER 21 1HB SER 21 -6.279 6.206 6.747 120 HB3 SER 21 2HB SER 21 -4.913 5.386 5.990 121 HG SER 21 HG SER 21 -3.811 7.386 5.988 122 H MET 22 H MET 22 -3.919 7.937 3.906 123 HA MET 22 HA MET 22 -3.464 6.611 1.449 124 HB2 MET 22 1HB MET 22 -2.651 8.873 1.851 125 HB3 MET 22 2HB MET 22 -1.599 8.290 3.134 126 HG2 MET 22 1HG MET 22 -1.312 7.165 0.392 127 HG3 MET 22 2HG MET 22 -0.662 8.764 0.748 128 HE1 MET 22 1HE MET 22 2.558 6.555 0.781 129 HE2 MET 22 2HE MET 22 1.165 6.388 -0.287 130 HE3 MET 22 3HE MET 22 1.780 7.992 0.118 131 H MET 23 H MET 23 -2.129 6.204 4.692 132 HA MET 23 HA MET 23 0.013 4.647 4.459 133 HB2 MET 23 1HB MET 23 -2.386 4.116 6.211 134 HB3 MET 23 2HB MET 23 -0.863 3.253 6.380 135 HG2 MET 23 1HG MET 23 0.273 5.146 7.103 136 HG3 MET 23 2HG MET 23 -0.952 6.240 6.465 137 HE1 MET 23 1HE MET 23 0.383 4.082 9.031 138 HE2 MET 23 2HE MET 23 -0.517 4.445 10.503 139 HE3 MET 23 3HE MET 23 -1.076 3.170 9.420 140 H GLY 24 H GLY 24 0.498 3.159 2.978 141 HA2 GLY 24 1HA GLY 24 -1.459 1.525 1.701 142 HA3 GLY 24 2HA GLY 24 0.284 1.386 1.526 143 H PHE 25 H PHE 25 1.348 -0.206 2.580 144 HA PHE 25 HA PHE 25 1.701 -2.103 3.785 145 HB2 PHE 25 1HB PHE 25 -0.628 -1.226 5.499 146 HB3 PHE 25 2HB PHE 25 0.676 -2.319 5.951 147 HD1 PHE 25 2HD PHE 25 -0.165 1.188 5.197 148 HD2 PHE 25 1HD PHE 25 2.751 -1.501 6.740 149 HE1 PHE 25 2HE PHE 25 1.119 3.092 6.079 150 HE2 PHE 25 1HE PHE 25 4.039 0.399 7.626 151 HZ PHE 25 HZ PHE 25 3.224 2.699 7.294 152 H ARG 26 H ARG 26 0.256 -2.416 1.492 153 HA ARG 26 HA ARG 26 -2.096 -4.016 2.055 154 HB2 ARG 26 1HB ARG 26 -2.111 -4.310 -0.455 155 HB3 ARG 26 2HB ARG 26 -2.266 -2.654 0.116 156 HG2 ARG 26 1HG ARG 26 0.487 -3.520 -0.406 157 HG3 ARG 26 2HG ARG 26 -0.563 -3.464 -1.824 158 HD2 ARG 26 1HD ARG 26 -1.231 -1.134 -1.005 159 HD3 ARG 26 2HD ARG 26 0.172 -1.242 0.057 160 HE ARG 26 HE ARG 26 1.095 -1.852 -2.462 161 HH11 ARG 26 2HH1 ARG 26 -0.488 0.847 -0.937 162 HH12 ARG 26 1HH1 ARG 26 0.237 2.028 -1.977 163 HH21 ARG 26 2HH2 ARG 26 2.056 -0.308 -3.837 164 HH22 ARG 26 1HH2 ARG 26 1.684 1.370 -3.627 165 H TYR 27 H TYR 27 -1.901 -6.064 2.651 166 HA TYR 27 HA TYR 27 0.288 -7.662 1.493 167 HB2 TYR 27 1HB TYR 27 -0.966 -8.248 4.166 168 HB3 TYR 27 2HB TYR 27 0.570 -8.822 3.525 169 HD1 TYR 27 1HD TYR 27 2.362 -6.969 3.064 170 HD2 TYR 27 2HD TYR 27 -0.978 -6.470 5.652 171 HE1 TYR 27 1HE TYR 27 3.529 -5.130 4.206 172 HE2 TYR 27 2HE TYR 27 0.179 -4.628 6.800 173 HH TYR 27 HH TYR 27 3.354 -4.080 6.657 174 H ARG 28 H ARG 28 -0.355 -9.287 0.256 175 HA ARG 28 HA ARG 28 -3.146 -10.167 0.413 176 HB2 ARG 28 1HB ARG 28 -2.060 -9.368 -1.767 177 HB3 ARG 28 2HB ARG 28 -1.175 -10.887 -1.747 178 HG2 ARG 28 1HG ARG 28 -3.254 -12.132 -1.815 179 HG3 ARG 28 2HG ARG 28 -4.175 -10.627 -1.754 180 HD2 ARG 28 1HD ARG 28 -3.228 -9.942 -3.887 181 HD3 ARG 28 2HD ARG 28 -2.249 -11.407 -3.940 182 HE ARG 28 HE ARG 28 -4.128 -12.624 -4.526 183 HH11 ARG 28 2HH1 ARG 28 -4.994 -9.353 -3.708 184 HH12 ARG 28 1HH1 ARG 28 -6.601 -9.480 -4.344 185 HH21 ARG 28 2HH2 ARG 28 -6.241 -12.804 -5.368 186 HH22 ARG 28 1HH2 ARG 28 -7.309 -11.445 -5.287 187 H CYS 29 H CYS 29 -3.699 -12.146 1.088 188 HA CYS 29 HA CYS 29 -2.023 -13.784 2.534 189 HB2 CYS 29 1HB CYS 29 -4.317 -14.136 2.855 190 HB3 CYS 29 2HB CYS 29 -4.629 -14.300 1.130 191 H GLN 30 H GLN 30 -1.311 -16.005 2.087 192 HA GLN 30 HA GLN 30 0.320 -16.123 -0.209 193 HB2 GLN 30 1HB GLN 30 -0.494 -18.293 1.729 194 HB3 GLN 30 2HB GLN 30 0.756 -18.474 0.506 195 HG2 GLN 30 1HG GLN 30 1.875 -16.461 1.598 196 HG3 GLN 30 2HG GLN 30 0.763 -16.727 2.940 197 HE21 GLN 30 1HE2 GLN 30 3.703 -17.580 1.551 198 HE22 GLN 30 2HE2 GLN 30 4.079 -18.930 2.560 199 H GLN 31 H GLN 31 -2.067 -18.616 0.627 200 HA GLN 31 HA GLN 31 -2.739 -18.798 -2.232 201 HB2 GLN 31 1HB GLN 31 -1.719 -20.789 -0.905 202 HB3 GLN 31 2HB GLN 31 -3.336 -20.953 -0.231 203 HG2 GLN 31 1HG GLN 31 -3.416 -22.407 -2.001 204 HG3 GLN 31 2HG GLN 31 -4.089 -20.942 -2.714 205 HE21 GLN 31 1HE2 GLN 31 -3.367 -20.556 -4.669 206 HE22 GLN 31 2HE2 GLN 31 -1.794 -20.931 -5.274 207 H CYS 32 H CYS 32 -4.503 -17.585 -2.573 208 HA CYS 32 HA CYS 32 -7.018 -18.402 -1.609 209 HB2 CYS 32 1HB CYS 32 -5.661 -16.215 -0.131 210 HB3 CYS 32 2HB CYS 32 -7.361 -15.968 -0.519 211 H HIS 33 H HIS 33 -8.548 -17.745 -3.001 212 HA HIS 33 HA HIS 33 -8.051 -16.607 -5.414 213 HB2 HIS 33 1HB HIS 33 -10.507 -16.788 -3.734 214 HB3 HIS 33 2HB HIS 33 -10.564 -15.771 -5.170 215 HD1 HIS 33 1HD HIS 33 -12.229 -18.396 -4.862 216 HD2 HIS 33 2HD HIS 33 -8.585 -18.090 -6.833 217 HE1 HIS 33 1HE HIS 33 -12.178 -20.318 -6.483 218 H ASN 34 H ASN 34 -9.885 -14.710 -3.032 219 HA ASN 34 HA ASN 34 -8.205 -12.384 -3.666 220 HB2 ASN 34 1HB ASN 34 -10.439 -11.054 -3.510 221 HB3 ASN 34 2HB ASN 34 -10.042 -11.887 -5.011 222 HD21 ASN 34 1HD2 ASN 34 -12.220 -11.975 -5.585 223 HD22 ASN 34 2HD2 ASN 34 -13.315 -13.083 -4.838 224 H TYR 35 H TYR 35 -7.205 -12.717 -1.633 225 HA TYR 35 HA TYR 35 -8.841 -11.773 0.618 226 HB2 TYR 35 1HB TYR 35 -8.192 -14.345 0.519 227 HB3 TYR 35 2HB TYR 35 -6.669 -13.744 1.164 228 HD1 TYR 35 2HD TYR 35 -10.314 -13.915 1.795 229 HD2 TYR 35 1HD TYR 35 -6.469 -13.128 3.438 230 HE1 TYR 35 2HE TYR 35 -11.292 -13.883 4.052 231 HE2 TYR 35 1HE TYR 35 -7.436 -13.095 5.700 232 HH TYR 35 HH TYR 35 -10.061 -12.561 6.571 233 H GLN 36 H GLN 36 -8.042 -9.765 0.850 234 HA GLN 36 HA GLN 36 -5.128 -9.501 1.192 235 HB2 GLN 36 1HB GLN 36 -7.072 -7.811 -0.306 236 HB3 GLN 36 2HB GLN 36 -5.739 -7.007 0.511 237 HG2 GLN 36 1HG GLN 36 -4.159 -8.453 -0.710 238 HG3 GLN 36 2HG GLN 36 -5.521 -9.162 -1.577 239 HE21 GLN 36 1HE2 GLN 36 -3.105 -7.071 -1.920 240 HE22 GLN 36 2HE2 GLN 36 -3.797 -5.957 -3.045 241 H LEU 37 H LEU 37 -4.405 -7.989 2.756 242 HA LEU 37 HA LEU 37 -6.362 -6.771 4.519 243 HB2 LEU 37 1HB LEU 37 -4.359 -8.769 5.558 244 HB3 LEU 37 2HB LEU 37 -5.478 -7.814 6.529 245 HG LEU 37 HG LEU 37 -6.355 -9.869 4.505 246 HD11 LEU 37 1HD1 LEU 37 -6.265 -11.513 6.044 247 HD12 LEU 37 2HD1 LEU 37 -6.608 -10.425 7.388 248 HD13 LEU 37 3HD1 LEU 37 -4.978 -10.516 6.722 249 HD21 LEU 37 1HD2 LEU 37 -7.847 -8.595 6.794 250 HD22 LEU 37 2HD2 LEU 37 -8.496 -9.686 5.570 251 HD23 LEU 37 3HD2 LEU 37 -7.960 -8.068 5.114 252 H CYS 38 H CYS 38 -5.501 -5.142 5.850 253 HA CYS 38 HA CYS 38 -2.885 -4.172 4.958 254 HB2 CYS 38 1HB CYS 38 -3.578 -1.998 5.764 255 HB3 CYS 38 2HB CYS 38 -4.855 -2.667 4.752 256 H GLN 39 H GLN 39 -1.806 -2.754 6.789 257 HA GLN 39 HA GLN 39 -0.644 -4.408 8.624 258 HB2 GLN 39 1HB GLN 39 0.206 -2.175 8.112 259 HB3 GLN 39 2HB GLN 39 -1.167 -1.447 8.934 260 HG2 GLN 39 1HG GLN 39 -0.357 -1.922 11.013 261 HG3 GLN 39 2HG GLN 39 0.552 -3.327 10.459 262 HE21 GLN 39 1HE2 GLN 39 2.422 -2.832 9.025 263 HE22 GLN 39 2HE2 GLN 39 3.373 -1.441 9.407 264 H ASP 40 H ASP 40 -3.428 -2.271 9.207 265 HA ASP 40 HA ASP 40 -3.823 -2.976 11.896 266 HB2 ASP 40 1HB ASP 40 -5.740 -1.932 9.808 267 HB3 ASP 40 2HB ASP 40 -6.173 -2.133 11.504 268 H CYS 41 H CYS 41 -5.671 -4.061 9.041 269 HA CYS 41 HA CYS 41 -7.331 -5.896 10.109 270 HB2 CYS 41 1HB CYS 41 -5.770 -5.934 7.547 271 HB3 CYS 41 2HB CYS 41 -6.803 -7.296 7.967 272 H PHE 42 H PHE 42 -4.005 -6.675 9.079 273 HA PHE 42 HA PHE 42 -3.974 -9.300 10.038 274 HB2 PHE 42 1HB PHE 42 -2.260 -7.892 8.568 275 HB3 PHE 42 2HB PHE 42 -1.458 -7.704 10.124 276 HD1 PHE 42 1HD PHE 42 -1.975 -10.315 11.369 277 HD2 PHE 42 2HD PHE 42 -0.894 -9.330 7.371 278 HE1 PHE 42 1HE PHE 42 -0.943 -12.533 11.105 279 HE2 PHE 42 2HE PHE 42 0.138 -11.547 7.101 280 HZ PHE 42 HZ PHE 42 0.114 -13.152 8.969 281 H TRP 43 H TRP 43 -2.771 -6.324 11.578 282 HA TRP 43 HA TRP 43 -1.769 -7.304 13.916 283 HB2 TRP 43 1HB TRP 43 -3.164 -4.771 13.197 284 HB3 TRP 43 2HB TRP 43 -2.896 -5.101 14.907 285 HD1 TRP 43 HD TRP 43 -0.463 -5.777 11.964 286 HE1 TRP 43 1HE TRP 43 1.734 -4.527 12.451 287 HE3 TRP 43 3HE TRP 43 -1.827 -3.383 16.271 288 HZ2 TRP 43 2HZ TRP 43 2.754 -2.761 14.402 289 HZ3 TRP 43 3HZ TRP 43 -0.182 -1.933 17.386 290 HH2 TRP 43 HH TRP 43 2.061 -1.630 16.469 291 H ARG 44 H ARG 44 -5.175 -6.721 13.154 292 HA ARG 44 HA ARG 44 -6.060 -7.582 15.760 293 HB2 ARG 44 1HB ARG 44 -7.623 -7.013 13.234 294 HB3 ARG 44 2HB ARG 44 -8.328 -7.314 14.817 295 HG2 ARG 44 1HG ARG 44 -7.296 -5.307 15.693 296 HG3 ARG 44 2HG ARG 44 -6.495 -5.021 14.147 297 HD2 ARG 44 1HD ARG 44 -8.363 -3.615 14.099 298 HD3 ARG 44 2HD ARG 44 -8.844 -5.014 13.139 299 HE ARG 44 HE ARG 44 -9.580 -5.114 15.937 300 HH11 ARG 44 2HH1 ARG 44 -10.526 -4.257 12.698 301 HH12 ARG 44 1HH1 ARG 44 -12.224 -4.309 13.040 302 HH21 ARG 44 2HH2 ARG 44 -11.812 -5.185 16.400 303 HH22 ARG 44 1HH2 ARG 44 -12.954 -4.836 15.147 304 H GLY 45 H GLY 45 -5.907 -8.925 12.499 305 HA2 GLY 45 1HA GLY 45 -5.601 -11.240 12.080 306 HA3 GLY 45 2HA GLY 45 -6.298 -11.591 13.655 307 H HIS 46 H HIS 46 -6.850 -11.574 10.362 308 HA HIS 46 HA HIS 46 -9.758 -11.775 10.791 309 HB2 HIS 46 1HB HIS 46 -8.222 -10.479 8.559 310 HB3 HIS 46 2HB HIS 46 -9.852 -11.088 8.286 311 HD1 HIS 46 1HD HIS 46 -10.777 -8.710 7.909 312 HD2 HIS 46 2HD HIS 46 -9.074 -9.288 11.654 313 HE1 HIS 46 1HE HIS 46 -11.478 -6.722 9.280 314 H ALA 47 H ALA 47 -10.825 -13.462 9.824 315 HA ALA 47 HA ALA 47 -9.765 -15.107 7.797 316 HB1 ALA 47 1HB ALA 47 -9.128 -17.073 8.991 317 HB2 ALA 47 2HB ALA 47 -8.220 -15.718 9.664 318 HB3 ALA 47 3HB ALA 47 -9.615 -16.363 10.530 319 H GLY 48 H GLY 48 -10.955 -17.456 8.079 320 HA2 GLY 48 1HA GLY 48 -13.469 -17.521 9.331 321 HA3 GLY 48 2HA GLY 48 -13.684 -16.911 7.697 322 H GLY 49 H GLY 49 -15.035 -19.068 8.007 323 HA2 GLY 49 1HA GLY 49 -14.024 -21.586 8.014 324 HA3 GLY 49 2HA GLY 49 -15.358 -21.109 6.974 325 H SER 50 H SER 50 -13.611 -19.223 5.485 326 HA SER 50 HA SER 50 -12.510 -21.199 3.651 327 HB2 SER 50 1HB SER 50 -13.056 -18.240 3.422 328 HB3 SER 50 2HB SER 50 -12.179 -19.134 2.181 329 HG SER 50 HG SER 50 -14.247 -20.583 2.561 330 H HIS 51 H HIS 51 -11.338 -17.988 4.657 331 HA HIS 51 HA HIS 51 -8.613 -18.708 4.217 332 HB2 HIS 51 1HB HIS 51 -9.340 -16.405 3.925 333 HB3 HIS 51 2HB HIS 51 -9.830 -16.316 5.615 334 HD2 HIS 51 2HD HIS 51 -7.811 -15.720 7.400 335 HE1 HIS 51 1HE HIS 51 -4.666 -15.592 4.555 336 HE2 HIS 51 2HE HIS 51 -5.311 -15.223 6.962 337 H SER 52 H SER 52 -6.957 -18.993 5.728 338 HA SER 52 HA SER 52 -7.886 -19.794 8.406 339 HB2 SER 52 1HB SER 52 -7.052 -21.736 7.346 340 HB3 SER 52 2HB SER 52 -5.682 -20.869 6.652 341 HG SER 52 HG SER 52 -6.105 -21.621 9.346 342 H ASN 53 H ASN 53 -7.118 -18.731 10.112 343 HA ASN 53 HA ASN 53 -5.737 -16.378 10.021 344 HB2 ASN 53 1HB ASN 53 -5.340 -18.248 12.342 345 HB3 ASN 53 2HB ASN 53 -5.536 -16.497 12.355 346 HD21 ASN 53 1HD2 ASN 53 -7.470 -15.716 12.809 347 HD22 ASN 53 2HD2 ASN 53 -8.946 -16.614 12.811 348 H GLN 54 H GLN 54 -4.444 -19.599 9.879 349 HA GLN 54 HA GLN 54 -1.750 -18.938 10.504 350 HB2 GLN 54 1HB GLN 54 -3.143 -21.291 9.306 351 HB3 GLN 54 2HB GLN 54 -1.397 -21.173 9.134 352 HG2 GLN 54 1HG GLN 54 -3.021 -21.424 11.637 353 HG3 GLN 54 2HG GLN 54 -1.728 -22.466 11.046 354 HE21 GLN 54 1HE2 GLN 54 0.386 -21.128 10.678 355 HE22 GLN 54 2HE2 GLN 54 0.854 -20.149 12.022 356 H HIS 55 H HIS 55 -3.629 -19.039 7.540 357 HA HIS 55 HA HIS 55 -1.734 -19.016 5.580 358 HB2 HIS 55 1HB HIS 55 -4.341 -17.549 5.836 359 HB3 HIS 55 2HB HIS 55 -3.331 -17.324 4.411 360 HD2 HIS 55 2HD HIS 55 -3.214 -20.941 5.589 361 HE1 HIS 55 1HE HIS 55 -6.152 -20.749 2.535 362 HE2 HIS 55 2HE HIS 55 -4.816 -22.259 4.045 363 H GLN 56 H GLN 56 0.036 -17.858 5.253 364 HA GLN 56 HA GLN 56 0.529 -15.428 6.688 365 HB2 GLN 56 1HB GLN 56 2.070 -17.116 4.762 366 HB3 GLN 56 2HB GLN 56 2.615 -15.474 5.079 367 HG2 GLN 56 1HG GLN 56 2.622 -16.042 7.515 368 HG3 GLN 56 2HG GLN 56 2.310 -17.716 7.057 369 HE21 GLN 56 1HE2 GLN 56 3.995 -18.973 6.668 370 HE22 GLN 56 2HE2 GLN 56 5.617 -18.436 6.410 371 H MET 57 H MET 57 1.551 -13.541 5.387 372 HA MET 57 HA MET 57 0.038 -13.032 2.927 373 HB2 MET 57 1HB MET 57 0.265 -11.029 5.176 374 HB3 MET 57 2HB MET 57 -0.620 -10.829 3.670 375 HG2 MET 57 1HG MET 57 -1.928 -12.925 4.476 376 HG3 MET 57 2HG MET 57 -1.296 -12.478 6.059 377 HE1 MET 57 1HE MET 57 -3.112 -11.044 2.891 378 HE2 MET 57 2HE MET 57 -4.213 -12.132 3.736 379 HE3 MET 57 3HE MET 57 -4.568 -10.406 3.655 380 H LYS 58 H LYS 58 0.954 -11.427 1.553 381 HA LYS 58 HA LYS 58 3.720 -10.670 2.207 382 HB2 LYS 58 1HB LYS 58 2.687 -12.155 -0.156 383 HB3 LYS 58 2HB LYS 58 3.956 -10.970 -0.437 384 HG2 LYS 58 1HG LYS 58 5.106 -12.963 -0.123 385 HG3 LYS 58 2HG LYS 58 5.223 -12.159 1.444 386 HD2 LYS 58 1HD LYS 58 3.451 -13.528 2.333 387 HD3 LYS 58 2HD LYS 58 3.156 -14.244 0.747 388 HE2 LYS 58 1HE LYS 58 4.418 -15.836 1.943 389 HE3 LYS 58 2HE LYS 58 5.550 -15.070 0.830 390 HZ1 LYS 58 1HZ LYS 58 6.275 -13.635 2.668 391 HZ2 LYS 58 2HZ LYS 58 6.548 -15.273 2.989 392 HZ3 LYS 58 3HZ LYS 58 5.251 -14.472 3.723 393 H GLU 59 H GLU 59 4.293 -8.623 1.698 394 HA GLU 59 HA GLU 59 2.261 -6.748 1.056 395 HB2 GLU 59 1HB GLU 59 4.001 -5.075 1.180 396 HB3 GLU 59 2HB GLU 59 4.210 -6.226 2.492 397 HG2 GLU 59 1HG GLU 59 5.721 -6.454 -0.089 398 HG3 GLU 59 2HG GLU 59 6.295 -5.473 1.259 399 H TYR 60 H TYR 60 1.742 -5.761 -0.822 400 HA TYR 60 HA TYR 60 3.368 -6.365 -3.197 401 HB2 TYR 60 1HB TYR 60 0.477 -6.889 -2.733 402 HB3 TYR 60 2HB TYR 60 0.945 -6.307 -4.327 403 HD1 TYR 60 2HD TYR 60 2.609 -7.630 -5.666 404 HD2 TYR 60 1HD TYR 60 0.869 -9.130 -2.085 405 HE1 TYR 60 2HE TYR 60 3.264 -9.911 -6.311 406 HE2 TYR 60 1HE TYR 60 1.521 -11.416 -2.719 407 HH TYR 60 HH TYR 60 3.496 -12.386 -4.328 408 H THR 61 H THR 61 2.528 -4.953 -5.108 409 HA THR 61 HA THR 61 2.203 -2.210 -4.080 410 HB THR 61 HB THR 61 3.260 -1.486 -6.237 411 HG1 THR 61 1HG THR 61 4.215 -3.021 -7.528 412 HG21 THR 61 1HG2 THR 61 4.465 -2.555 -3.913 413 HG22 THR 61 2HG2 THR 61 5.124 -1.356 -5.026 414 HG23 THR 61 3HG2 THR 61 5.441 -3.070 -5.288 415 H SER 62 H SER 62 -0.037 -3.876 -4.519 416 HA SER 62 HA SER 62 -1.182 -3.241 -7.084 417 HB2 SER 62 1HB SER 62 -1.774 -5.344 -6.007 418 HB3 SER 62 2HB SER 62 -2.406 -4.479 -4.606 419 HG SER 62 HG SER 62 -4.096 -3.764 -5.796 420 H TRP 63 H TRP 63 -2.105 -2.443 -3.731 421 HA TRP 63 HA TRP 63 -3.075 0.154 -4.711 422 HB2 TRP 63 1HB TRP 63 -4.989 -0.012 -3.141 423 HB3 TRP 63 2HB TRP 63 -5.034 -1.244 -4.399 424 HD1 TRP 63 HD TRP 63 -4.816 -3.770 -3.653 425 HE1 TRP 63 1HE TRP 63 -4.917 -4.935 -1.360 426 HE3 TRP 63 3HE TRP 63 -4.345 0.331 -0.638 427 HZ2 TRP 63 2HZ TRP 63 -4.811 -4.211 1.366 428 HZ3 TRP 63 3HZ TRP 63 -4.355 0.009 1.801 429 HH2 TRP 63 HH TRP 63 -4.584 -2.216 2.781 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -25.997 -2.734 6.427 2 HA2 GLY 1 1HA GLY 1 -24.571 -0.661 6.472 3 HA3 GLY 1 2HA GLY 1 -25.428 -0.886 4.954 4 H SER 2 H SER 2 -24.925 1.151 7.613 5 HA SER 2 HA SER 2 -27.371 2.671 7.247 6 HB2 SER 2 1HB SER 2 -26.165 2.273 9.491 7 HB3 SER 2 2HB SER 2 -25.029 3.508 8.949 8 HG SER 2 HG SER 2 -27.379 4.527 8.519 9 H SER 3 H SER 3 -23.894 3.475 7.155 10 HA SER 3 HA SER 3 -24.301 5.048 4.751 11 HB2 SER 3 1HB SER 3 -24.815 6.618 6.614 12 HB3 SER 3 2HB SER 3 -23.196 6.341 7.257 13 HG SER 3 HG SER 3 -22.502 7.763 5.892 14 H GLY 4 H GLY 4 -22.361 5.549 3.649 15 HA2 GLY 4 1HA GLY 4 -19.985 5.546 3.433 16 HA3 GLY 4 2HA GLY 4 -19.895 4.416 4.776 17 H SER 5 H SER 5 -20.879 4.723 1.391 18 HA SER 5 HA SER 5 -21.020 1.867 1.026 19 HB2 SER 5 1HB SER 5 -22.451 3.511 -0.233 20 HB3 SER 5 2HB SER 5 -21.003 4.015 -1.105 21 HG SER 5 HG SER 5 -22.586 2.030 -1.710 22 H SER 6 H SER 6 -18.992 4.417 -0.432 23 HA SER 6 HA SER 6 -16.619 2.821 -0.153 24 HB2 SER 6 1HB SER 6 -17.796 3.286 -2.901 25 HB3 SER 6 2HB SER 6 -16.135 2.766 -2.616 26 HG SER 6 HG SER 6 -16.818 0.824 -2.115 27 H GLY 7 H GLY 7 -14.695 3.973 -0.692 28 HA2 GLY 7 1HA GLY 7 -15.140 6.876 -1.027 29 HA3 GLY 7 2HA GLY 7 -13.912 6.209 0.039 30 H VAL 8 H VAL 8 -14.651 7.243 -3.123 31 HA VAL 8 HA VAL 8 -12.294 5.994 -4.299 32 HB VAL 8 HB VAL 8 -13.024 7.012 -6.404 33 HG11 VAL 8 1HG1 VAL 8 -15.523 5.844 -5.285 34 HG12 VAL 8 2HG1 VAL 8 -14.699 5.503 -6.808 35 HG13 VAL 8 3HG1 VAL 8 -14.059 4.861 -5.295 36 HG21 VAL 8 1HG2 VAL 8 -13.961 9.077 -5.612 37 HG22 VAL 8 2HG2 VAL 8 -15.214 8.189 -6.480 38 HG23 VAL 8 3HG2 VAL 8 -15.213 8.216 -4.716 39 H PHE 9 H PHE 9 -11.739 7.794 -2.218 40 HA PHE 9 HA PHE 9 -10.651 10.131 -3.636 41 HB2 PHE 9 1HB PHE 9 -11.335 9.691 -0.731 42 HB3 PHE 9 2HB PHE 9 -10.371 11.058 -1.280 43 HD1 PHE 9 2HD PHE 9 -11.434 12.517 -3.151 44 HD2 PHE 9 1HD PHE 9 -13.629 9.882 -0.630 45 HE1 PHE 9 2HE PHE 9 -13.493 13.774 -3.636 46 HE2 PHE 9 1HE PHE 9 -15.692 11.134 -1.112 47 HZ PHE 9 HZ PHE 9 -15.625 13.083 -2.615 48 H HIS 10 H HIS 10 -9.781 8.048 -0.871 49 HA HIS 10 HA HIS 10 -6.978 8.579 -1.235 50 HB2 HIS 10 1HB HIS 10 -8.602 6.931 0.665 51 HB3 HIS 10 2HB HIS 10 -6.868 6.652 0.547 52 HD1 HIS 10 1HD HIS 10 -6.497 7.529 2.951 53 HD2 HIS 10 2HD HIS 10 -8.151 10.321 0.357 54 HE1 HIS 10 1HE HIS 10 -6.307 9.741 4.133 55 HA PRO 11 HA PRO 11 -6.294 5.363 -4.206 56 HB2 PRO 11 1HB PRO 11 -3.581 5.441 -4.150 57 HB3 PRO 11 2HB PRO 11 -4.561 6.662 -4.970 58 HG2 PRO 11 1HG PRO 11 -3.274 6.766 -2.269 59 HG3 PRO 11 2HG PRO 11 -3.349 8.019 -3.521 60 HD2 PRO 11 1HD PRO 11 -4.988 8.014 -1.366 61 HD3 PRO 11 2HD PRO 11 -5.493 8.642 -2.948 62 H VAL 12 H VAL 12 -5.944 5.134 -0.950 63 HA VAL 12 HA VAL 12 -4.906 2.380 -1.127 64 HB VAL 12 HB VAL 12 -4.588 4.223 1.245 65 HG11 VAL 12 1HG1 VAL 12 -4.213 1.377 0.829 66 HG12 VAL 12 2HG1 VAL 12 -2.741 2.167 1.398 67 HG13 VAL 12 3HG1 VAL 12 -4.233 2.307 2.328 68 HG21 VAL 12 1HG2 VAL 12 -2.127 3.423 -0.018 69 HG22 VAL 12 2HG2 VAL 12 -3.166 4.272 -1.162 70 HG23 VAL 12 3HG2 VAL 12 -2.718 5.041 0.360 71 H GLU 13 H GLU 13 -6.866 1.345 -1.203 72 HA GLU 13 HA GLU 13 -8.583 1.671 1.169 73 HB2 GLU 13 1HB GLU 13 -9.354 1.228 -1.708 74 HB3 GLU 13 2HB GLU 13 -10.451 0.857 -0.386 75 HG2 GLU 13 1HG GLU 13 -9.203 3.563 -0.747 76 HG3 GLU 13 2HG GLU 13 -10.733 3.106 -1.493 77 H CYS 14 H CYS 14 -8.865 -0.099 2.357 78 HA CYS 14 HA CYS 14 -7.576 -2.544 1.658 79 HB2 CYS 14 1HB CYS 14 -8.049 -1.500 4.009 80 HB3 CYS 14 2HB CYS 14 -9.592 -2.338 3.869 81 H SER 15 H SER 15 -8.880 -4.667 2.043 82 HA SER 15 HA SER 15 -11.212 -4.548 0.257 83 HB2 SER 15 1HB SER 15 -9.159 -5.954 -0.348 84 HB3 SER 15 2HB SER 15 -9.650 -7.033 0.958 85 HG SER 15 HG SER 15 -11.647 -7.302 -0.122 86 H TYR 16 H TYR 16 -10.172 -5.383 3.440 87 HA TYR 16 HA TYR 16 -12.693 -6.757 4.018 88 HB2 TYR 16 1HB TYR 16 -10.615 -7.835 4.779 89 HB3 TYR 16 2HB TYR 16 -10.226 -6.411 5.737 90 HD1 TYR 16 2HD TYR 16 -12.165 -5.700 7.428 91 HD2 TYR 16 1HD TYR 16 -11.609 -9.614 5.857 92 HE1 TYR 16 2HE TYR 16 -13.413 -6.634 9.330 93 HE2 TYR 16 1HE TYR 16 -12.857 -10.560 7.754 94 HH TYR 16 HH TYR 16 -13.296 -9.583 10.337 95 H CYS 17 H CYS 17 -10.672 -4.155 5.380 96 HA CYS 17 HA CYS 17 -13.061 -3.073 6.703 97 HB2 CYS 17 1HB CYS 17 -11.581 -1.894 8.180 98 HB3 CYS 17 2HB CYS 17 -11.025 -3.562 8.086 99 H HIS 18 H HIS 18 -11.521 -2.730 3.871 100 HA HIS 18 HA HIS 18 -11.002 -0.944 2.473 101 HB2 HIS 18 1HB HIS 18 -13.211 0.377 2.106 102 HB3 HIS 18 2HB HIS 18 -13.178 -1.345 1.742 103 HD1 HIS 18 1HD HIS 18 -15.272 -2.405 2.481 104 HD2 HIS 18 2HD HIS 18 -14.078 0.605 5.084 105 HE1 HIS 18 1HE HIS 18 -16.997 -2.375 4.310 106 H SER 19 H SER 19 -9.714 -0.209 4.627 107 HA SER 19 HA SER 19 -10.683 2.269 5.737 108 HB2 SER 19 1HB SER 19 -9.186 0.516 6.903 109 HB3 SER 19 2HB SER 19 -7.862 1.246 5.995 110 HG SER 19 HG SER 19 -8.164 2.170 8.095 111 H GLU 20 H GLU 20 -9.368 4.262 5.664 112 HA GLU 20 HA GLU 20 -8.155 4.624 3.003 113 HB2 GLU 20 1HB GLU 20 -8.930 6.948 3.078 114 HB3 GLU 20 2HB GLU 20 -10.274 5.822 3.215 115 HG2 GLU 20 1HG GLU 20 -10.361 6.184 5.614 116 HG3 GLU 20 2HG GLU 20 -8.978 7.271 5.513 117 H SER 21 H SER 21 -7.993 5.462 6.418 118 HA SER 21 HA SER 21 -5.979 7.284 6.536 119 HB2 SER 21 1HB SER 21 -6.821 5.050 8.305 120 HB3 SER 21 2HB SER 21 -5.244 5.769 8.630 121 HG SER 21 HG SER 21 -7.793 6.958 8.713 122 H MET 22 H MET 22 -3.722 7.250 6.624 123 HA MET 22 HA MET 22 -2.511 5.163 5.008 124 HB2 MET 22 1HB MET 22 -2.131 7.756 4.869 125 HB3 MET 22 2HB MET 22 -0.977 7.460 6.162 126 HG2 MET 22 1HG MET 22 0.354 6.081 4.804 127 HG3 MET 22 2HG MET 22 -0.906 5.939 3.580 128 HE1 MET 22 1HE MET 22 1.710 7.838 1.534 129 HE2 MET 22 2HE MET 22 1.444 6.272 2.300 130 HE3 MET 22 3HE MET 22 0.195 6.973 1.271 131 H MET 23 H MET 23 -3.266 4.044 7.338 132 HA MET 23 HA MET 23 -0.759 3.796 8.866 133 HB2 MET 23 1HB MET 23 -2.062 3.185 10.804 134 HB3 MET 23 2HB MET 23 -2.669 4.707 10.166 135 HG2 MET 23 1HG MET 23 -4.645 3.796 9.476 136 HG3 MET 23 2HG MET 23 -3.958 2.186 9.272 137 HE1 MET 23 1HE MET 23 -6.089 1.166 10.302 138 HE2 MET 23 2HE MET 23 -6.672 1.456 11.941 139 HE3 MET 23 3HE MET 23 -6.851 2.705 10.707 140 H GLY 24 H GLY 24 -1.082 2.374 6.502 141 HA2 GLY 24 1HA GLY 24 -0.593 -0.271 7.374 142 HA3 GLY 24 2HA GLY 24 -2.217 -0.165 6.711 143 H PHE 25 H PHE 25 -1.139 -1.806 5.246 144 HA PHE 25 HA PHE 25 -0.368 -0.434 2.810 145 HB2 PHE 25 1HB PHE 25 1.478 -2.180 4.371 146 HB3 PHE 25 2HB PHE 25 1.511 -2.306 2.615 147 HD1 PHE 25 1HD PHE 25 1.478 0.135 1.440 148 HD2 PHE 25 2HD PHE 25 3.021 -0.776 5.300 149 HE1 PHE 25 1HE PHE 25 2.931 2.117 1.323 150 HE2 PHE 25 2HE PHE 25 4.476 1.205 5.191 151 HZ PHE 25 HZ PHE 25 4.432 2.655 3.201 152 H ARG 26 H ARG 26 0.152 -2.335 1.101 153 HA ARG 26 HA ARG 26 -2.295 -3.879 1.022 154 HB2 ARG 26 1HB ARG 26 -0.054 -3.824 -1.003 155 HB3 ARG 26 2HB ARG 26 -1.700 -4.386 -1.256 156 HG2 ARG 26 1HG ARG 26 -1.027 -1.546 -0.542 157 HG3 ARG 26 2HG ARG 26 -1.158 -2.127 -2.203 158 HD2 ARG 26 1HD ARG 26 -3.477 -3.023 -1.387 159 HD3 ARG 26 2HD ARG 26 -3.278 -1.807 -0.126 160 HE ARG 26 HE ARG 26 -3.967 -1.342 -2.842 161 HH11 ARG 26 2HH1 ARG 26 -2.197 0.000 -0.162 162 HH12 ARG 26 1HH1 ARG 26 -2.360 1.637 -0.705 163 HH21 ARG 26 2HH2 ARG 26 -4.189 0.809 -3.568 164 HH22 ARG 26 1HH2 ARG 26 -3.495 2.096 -2.642 165 H TYR 27 H TYR 27 -2.320 -5.702 2.179 166 HA TYR 27 HA TYR 27 0.004 -7.503 1.972 167 HB2 TYR 27 1HB TYR 27 -1.934 -7.157 4.267 168 HB3 TYR 27 2HB TYR 27 -0.701 -8.410 4.185 169 HD1 TYR 27 1HD TYR 27 1.715 -7.752 4.200 170 HD2 TYR 27 2HD TYR 27 -1.399 -4.952 4.951 171 HE1 TYR 27 1HE TYR 27 3.348 -6.217 5.212 172 HE2 TYR 27 2HE TYR 27 0.226 -3.408 5.964 173 HH TYR 27 HH TYR 27 2.980 -3.140 5.607 174 H ARG 28 H ARG 28 -0.487 -9.035 0.539 175 HA ARG 28 HA ARG 28 -3.215 -10.117 0.484 176 HB2 ARG 28 1HB ARG 28 -2.587 -9.436 -1.682 177 HB3 ARG 28 2HB ARG 28 -0.969 -10.103 -1.515 178 HG2 ARG 28 1HG ARG 28 -1.886 -11.687 -2.855 179 HG3 ARG 28 2HG ARG 28 -2.315 -12.366 -1.284 180 HD2 ARG 28 1HD ARG 28 -4.315 -12.479 -2.446 181 HD3 ARG 28 2HD ARG 28 -4.479 -10.972 -1.544 182 HE ARG 28 HE ARG 28 -3.480 -10.088 -3.849 183 HH11 ARG 28 2HH1 ARG 28 -6.045 -12.350 -3.200 184 HH12 ARG 28 1HH1 ARG 28 -6.926 -11.964 -4.640 185 HH21 ARG 28 2HH2 ARG 28 -4.631 -9.571 -5.749 186 HH22 ARG 28 1HH2 ARG 28 -6.121 -10.384 -6.090 187 H CYS 29 H CYS 29 -3.650 -12.155 1.085 188 HA CYS 29 HA CYS 29 -1.918 -13.643 2.653 189 HB2 CYS 29 1HB CYS 29 -4.284 -14.033 2.775 190 HB3 CYS 29 2HB CYS 29 -4.348 -14.507 1.080 191 H GLN 30 H GLN 30 -0.981 -15.769 2.266 192 HA GLN 30 HA GLN 30 0.652 -15.789 -0.054 193 HB2 GLN 30 1HB GLN 30 0.272 -17.550 2.311 194 HB3 GLN 30 2HB GLN 30 1.042 -18.256 0.897 195 HG2 GLN 30 1HG GLN 30 2.488 -16.041 1.047 196 HG3 GLN 30 2HG GLN 30 2.015 -16.155 2.742 197 HE21 GLN 30 1HE2 GLN 30 4.622 -16.501 1.351 198 HE22 GLN 30 2HE2 GLN 30 5.199 -18.046 1.863 199 H GLN 31 H GLN 31 -1.410 -18.478 1.022 200 HA GLN 31 HA GLN 31 -2.056 -18.988 -1.802 201 HB2 GLN 31 1HB GLN 31 -0.855 -20.723 -0.250 202 HB3 GLN 31 2HB GLN 31 -2.476 -21.008 0.369 203 HG2 GLN 31 1HG GLN 31 -2.061 -22.621 -1.314 204 HG3 GLN 31 2HG GLN 31 -3.210 -21.457 -1.970 205 HE21 GLN 31 1HE2 GLN 31 -2.804 -20.742 -3.930 206 HE22 GLN 31 2HE2 GLN 31 -1.264 -20.732 -4.714 207 H CYS 32 H CYS 32 -3.935 -18.009 -2.255 208 HA CYS 32 HA CYS 32 -6.359 -18.981 -1.217 209 HB2 CYS 32 1HB CYS 32 -5.243 -16.550 0.068 210 HB3 CYS 32 2HB CYS 32 -6.955 -16.511 -0.339 211 H HIS 33 H HIS 33 -8.183 -18.157 -2.315 212 HA HIS 33 HA HIS 33 -7.755 -17.364 -4.952 213 HB2 HIS 33 1HB HIS 33 -10.253 -17.080 -3.269 214 HB3 HIS 33 2HB HIS 33 -10.196 -16.928 -5.022 215 HD1 HIS 33 1HD HIS 33 -9.180 -19.216 -6.233 216 HD2 HIS 33 2HD HIS 33 -10.855 -19.581 -2.449 217 HE1 HIS 33 1HE HIS 33 -9.719 -21.658 -5.969 218 H ASN 34 H ASN 34 -9.604 -15.359 -2.674 219 HA ASN 34 HA ASN 34 -8.056 -13.020 -3.542 220 HB2 ASN 34 1HB ASN 34 -11.062 -13.305 -3.557 221 HB3 ASN 34 2HB ASN 34 -10.255 -11.740 -3.584 222 HD21 ASN 34 1HD2 ASN 34 -10.412 -14.834 -5.281 223 HD22 ASN 34 2HD2 ASN 34 -10.102 -14.187 -6.853 224 H TYR 35 H TYR 35 -7.013 -13.003 -1.538 225 HA TYR 35 HA TYR 35 -8.705 -12.087 0.687 226 HB2 TYR 35 1HB TYR 35 -7.683 -14.531 0.776 227 HB3 TYR 35 2HB TYR 35 -6.241 -13.662 1.288 228 HD1 TYR 35 2HD TYR 35 -9.889 -13.869 2.068 229 HD2 TYR 35 1HD TYR 35 -5.947 -13.248 3.544 230 HE1 TYR 35 2HE TYR 35 -10.769 -13.772 4.363 231 HE2 TYR 35 1HE TYR 35 -6.816 -13.151 5.842 232 HH TYR 35 HH TYR 35 -8.962 -12.643 6.980 233 H GLN 36 H GLN 36 -8.217 -9.967 0.704 234 HA GLN 36 HA GLN 36 -5.367 -9.239 0.884 235 HB2 GLN 36 1HB GLN 36 -7.628 -7.950 -0.584 236 HB3 GLN 36 2HB GLN 36 -6.341 -6.934 0.052 237 HG2 GLN 36 1HG GLN 36 -4.784 -7.752 -1.397 238 HG3 GLN 36 2HG GLN 36 -5.581 -9.318 -1.543 239 HE21 GLN 36 1HE2 GLN 36 -4.954 -8.712 -3.845 240 HE22 GLN 36 2HE2 GLN 36 -6.164 -7.899 -4.772 241 H LEU 37 H LEU 37 -4.750 -7.836 2.479 242 HA LEU 37 HA LEU 37 -6.752 -6.534 4.130 243 HB2 LEU 37 1HB LEU 37 -4.787 -8.484 5.321 244 HB3 LEU 37 2HB LEU 37 -5.954 -7.503 6.204 245 HG LEU 37 HG LEU 37 -6.780 -9.595 4.205 246 HD11 LEU 37 1HD1 LEU 37 -7.197 -10.390 6.923 247 HD12 LEU 37 2HD1 LEU 37 -5.486 -10.064 6.653 248 HD13 LEU 37 3HD1 LEU 37 -6.332 -11.228 5.634 249 HD21 LEU 37 1HD2 LEU 37 -8.893 -9.487 5.450 250 HD22 LEU 37 2HD2 LEU 37 -8.462 -7.929 4.745 251 HD23 LEU 37 3HD2 LEU 37 -8.219 -8.214 6.469 252 H CYS 38 H CYS 38 -5.713 -5.154 5.827 253 HA CYS 38 HA CYS 38 -3.184 -4.066 4.788 254 HB2 CYS 38 1HB CYS 38 -3.849 -1.938 5.803 255 HB3 CYS 38 2HB CYS 38 -5.086 -2.513 4.690 256 H GLN 39 H GLN 39 -1.876 -2.892 6.524 257 HA GLN 39 HA GLN 39 -0.733 -4.600 8.276 258 HB2 GLN 39 1HB GLN 39 -0.040 -2.214 7.717 259 HB3 GLN 39 2HB GLN 39 -1.139 -1.699 8.990 260 HG2 GLN 39 1HG GLN 39 0.126 -2.858 10.648 261 HG3 GLN 39 2HG GLN 39 1.134 -3.620 9.419 262 HE21 GLN 39 1HE2 GLN 39 0.666 -0.902 11.408 263 HE22 GLN 39 2HE2 GLN 39 2.009 0.032 10.853 264 H ASP 40 H ASP 40 -3.374 -2.363 9.116 265 HA ASP 40 HA ASP 40 -3.682 -3.127 11.776 266 HB2 ASP 40 1HB ASP 40 -4.821 -1.177 11.119 267 HB3 ASP 40 2HB ASP 40 -5.590 -1.980 9.752 268 H CYS 41 H CYS 41 -5.709 -4.179 9.031 269 HA CYS 41 HA CYS 41 -7.270 -6.048 10.195 270 HB2 CYS 41 1HB CYS 41 -5.945 -5.995 7.506 271 HB3 CYS 41 2HB CYS 41 -6.913 -7.388 7.975 272 H PHE 42 H PHE 42 -4.013 -6.729 8.915 273 HA PHE 42 HA PHE 42 -3.896 -9.395 9.785 274 HB2 PHE 42 1HB PHE 42 -2.353 -8.076 8.148 275 HB3 PHE 42 2HB PHE 42 -1.443 -7.675 9.601 276 HD1 PHE 42 2HD PHE 42 -3.069 -10.760 8.263 277 HD2 PHE 42 1HD PHE 42 0.441 -8.945 9.843 278 HE1 PHE 42 2HE PHE 42 -1.893 -12.915 8.116 279 HE2 PHE 42 1HE PHE 42 1.624 -11.097 9.697 280 HZ PHE 42 HZ PHE 42 0.457 -13.087 8.834 281 H TRP 43 H TRP 43 -2.526 -6.456 11.260 282 HA TRP 43 HA TRP 43 -1.323 -7.467 13.476 283 HB2 TRP 43 1HB TRP 43 -2.872 -4.943 13.025 284 HB3 TRP 43 2HB TRP 43 -2.270 -5.312 14.638 285 HD1 TRP 43 HD TRP 43 -0.369 -5.943 11.332 286 HE1 TRP 43 1HE TRP 43 1.822 -4.595 11.401 287 HE3 TRP 43 3HE TRP 43 -1.094 -3.442 15.731 288 HZ2 TRP 43 2HZ TRP 43 3.078 -2.720 13.097 289 HZ3 TRP 43 3HZ TRP 43 0.650 -1.889 16.506 290 HH2 TRP 43 HH TRP 43 2.693 -1.538 15.215 291 H ARG 44 H ARG 44 -4.790 -6.922 13.040 292 HA ARG 44 HA ARG 44 -5.440 -7.799 15.702 293 HB2 ARG 44 1HB ARG 44 -7.202 -7.313 13.292 294 HB3 ARG 44 2HB ARG 44 -7.785 -7.637 14.919 295 HG2 ARG 44 1HG ARG 44 -5.920 -5.358 14.482 296 HG3 ARG 44 2HG ARG 44 -7.614 -5.191 14.017 297 HD2 ARG 44 1HD ARG 44 -8.335 -5.677 16.254 298 HD3 ARG 44 2HD ARG 44 -6.688 -6.069 16.747 299 HE ARG 44 HE ARG 44 -6.818 -3.421 15.762 300 HH11 ARG 44 2HH1 ARG 44 -7.690 -5.366 18.515 301 HH12 ARG 44 1HH1 ARG 44 -7.612 -4.046 19.635 302 HH21 ARG 44 2HH2 ARG 44 -6.713 -1.676 17.227 303 HH22 ARG 44 1HH2 ARG 44 -7.058 -1.948 18.902 304 H GLY 45 H GLY 45 -5.511 -9.186 12.454 305 HA2 GLY 45 1HA GLY 45 -5.159 -11.493 12.033 306 HA3 GLY 45 2HA GLY 45 -5.690 -11.846 13.671 307 H HIS 46 H HIS 46 -6.610 -11.545 10.391 308 HA HIS 46 HA HIS 46 -9.430 -11.998 11.118 309 HB2 HIS 46 1HB HIS 46 -8.198 -10.663 8.713 310 HB3 HIS 46 2HB HIS 46 -9.865 -11.232 8.711 311 HD1 HIS 46 1HD HIS 46 -10.690 -8.776 8.447 312 HD2 HIS 46 2HD HIS 46 -8.597 -9.527 11.957 313 HE1 HIS 46 1HE HIS 46 -11.133 -6.795 9.931 314 H ALA 47 H ALA 47 -10.621 -13.537 9.882 315 HA ALA 47 HA ALA 47 -9.495 -15.175 7.888 316 HB1 ALA 47 1HB ALA 47 -8.310 -16.674 9.011 317 HB2 ALA 47 2HB ALA 47 -8.661 -15.832 10.521 318 HB3 ALA 47 3HB ALA 47 -9.739 -17.106 9.951 319 H GLY 48 H GLY 48 -10.803 -17.454 7.967 320 HA2 GLY 48 1HA GLY 48 -13.386 -17.479 9.072 321 HA3 GLY 48 2HA GLY 48 -13.480 -16.770 7.466 322 H GLY 49 H GLY 49 -14.933 -18.880 7.575 323 HA2 GLY 49 1HA GLY 49 -14.111 -21.437 7.511 324 HA3 GLY 49 2HA GLY 49 -15.253 -20.813 6.330 325 H SER 50 H SER 50 -13.402 -19.054 5.015 326 HA SER 50 HA SER 50 -12.085 -21.031 3.349 327 HB2 SER 50 1HB SER 50 -12.341 -18.030 3.034 328 HB3 SER 50 2HB SER 50 -11.651 -19.122 1.834 329 HG SER 50 HG SER 50 -13.679 -19.085 1.180 330 H HIS 51 H HIS 51 -10.953 -17.827 4.400 331 HA HIS 51 HA HIS 51 -8.221 -18.614 4.321 332 HB2 HIS 51 1HB HIS 51 -8.914 -16.294 3.929 333 HB3 HIS 51 2HB HIS 51 -9.503 -16.181 5.584 334 HD2 HIS 51 2HD HIS 51 -7.588 -15.599 7.480 335 HE1 HIS 51 1HE HIS 51 -4.266 -15.597 4.841 336 HE2 HIS 51 2HE HIS 51 -5.053 -15.172 7.196 337 H SER 52 H SER 52 -6.837 -19.199 5.927 338 HA SER 52 HA SER 52 -8.061 -19.789 8.536 339 HB2 SER 52 1HB SER 52 -6.944 -21.595 6.958 340 HB3 SER 52 2HB SER 52 -5.457 -20.995 7.692 341 HG SER 52 HG SER 52 -6.218 -22.668 8.948 342 H ASN 53 H ASN 53 -7.256 -18.930 10.365 343 HA ASN 53 HA ASN 53 -5.745 -16.633 10.385 344 HB2 ASN 53 1HB ASN 53 -5.294 -17.237 12.838 345 HB3 ASN 53 2HB ASN 53 -6.977 -17.111 12.337 346 HD21 ASN 53 1HD2 ASN 53 -8.208 -18.993 12.108 347 HD22 ASN 53 2HD2 ASN 53 -7.732 -20.481 12.847 348 H GLN 54 H GLN 54 -4.671 -19.873 10.047 349 HA GLN 54 HA GLN 54 -1.941 -19.300 10.839 350 HB2 GLN 54 1HB GLN 54 -3.377 -21.744 9.849 351 HB3 GLN 54 2HB GLN 54 -1.619 -21.696 9.896 352 HG2 GLN 54 1HG GLN 54 -2.027 -20.927 12.372 353 HG3 GLN 54 2HG GLN 54 -3.578 -21.729 12.131 354 HE21 GLN 54 1HE2 GLN 54 -3.668 -23.843 12.443 355 HE22 GLN 54 2HE2 GLN 54 -2.310 -24.903 12.567 356 H HIS 55 H HIS 55 -3.256 -17.912 8.542 357 HA HIS 55 HA HIS 55 -1.466 -18.777 6.373 358 HB2 HIS 55 1HB HIS 55 -4.132 -17.413 6.398 359 HB3 HIS 55 2HB HIS 55 -3.046 -17.162 5.035 360 HD2 HIS 55 2HD HIS 55 -2.970 -20.742 6.432 361 HE1 HIS 55 1HE HIS 55 -5.430 -20.777 2.976 362 HE2 HIS 55 2HE HIS 55 -4.314 -22.175 4.749 363 H GLN 56 H GLN 56 0.286 -17.592 6.044 364 HA GLN 56 HA GLN 56 0.539 -14.983 7.275 365 HB2 GLN 56 1HB GLN 56 2.847 -15.133 6.810 366 HB3 GLN 56 2HB GLN 56 2.356 -16.766 7.239 367 HG2 GLN 56 1HG GLN 56 2.183 -17.274 4.806 368 HG3 GLN 56 2HG GLN 56 2.874 -15.686 4.482 369 HE21 GLN 56 1HE2 GLN 56 5.015 -15.254 5.276 370 HE22 GLN 56 2HE2 GLN 56 6.140 -16.552 5.463 371 H MET 57 H MET 57 0.529 -13.053 6.265 372 HA MET 57 HA MET 57 -0.174 -13.045 3.426 373 HB2 MET 57 1HB MET 57 -0.269 -10.784 5.431 374 HB3 MET 57 2HB MET 57 -0.916 -10.751 3.796 375 HG2 MET 57 1HG MET 57 -2.372 -12.721 4.540 376 HG3 MET 57 2HG MET 57 -1.917 -12.260 6.179 377 HE1 MET 57 1HE MET 57 -3.454 -10.680 2.793 378 HE2 MET 57 2HE MET 57 -4.367 -12.006 3.512 379 HE3 MET 57 3HE MET 57 -5.033 -10.373 3.517 380 H LYS 58 H LYS 58 0.780 -11.417 2.010 381 HA LYS 58 HA LYS 58 3.534 -10.712 2.781 382 HB2 LYS 58 1HB LYS 58 2.627 -11.568 0.028 383 HB3 LYS 58 2HB LYS 58 4.272 -11.181 0.516 384 HG2 LYS 58 1HG LYS 58 2.893 -13.330 2.011 385 HG3 LYS 58 2HG LYS 58 3.371 -13.674 0.347 386 HD2 LYS 58 1HD LYS 58 5.282 -14.305 1.427 387 HD3 LYS 58 2HD LYS 58 5.648 -12.598 1.165 388 HE2 LYS 58 1HE LYS 58 4.413 -12.362 3.498 389 HE3 LYS 58 2HE LYS 58 4.940 -14.036 3.669 390 HZ1 LYS 58 1HZ LYS 58 6.967 -12.197 2.723 391 HZ2 LYS 58 2HZ LYS 58 7.075 -13.428 3.879 392 HZ3 LYS 58 3HZ LYS 58 6.440 -11.919 4.307 393 H GLU 59 H GLU 59 4.389 -8.794 1.882 394 HA GLU 59 HA GLU 59 2.366 -6.786 1.352 395 HB2 GLU 59 1HB GLU 59 4.362 -6.470 2.902 396 HB3 GLU 59 2HB GLU 59 5.351 -6.369 1.452 397 HG2 GLU 59 1HG GLU 59 4.088 -4.438 0.699 398 HG3 GLU 59 2HG GLU 59 3.046 -4.551 2.116 399 H TYR 60 H TYR 60 1.944 -5.851 -0.560 400 HA TYR 60 HA TYR 60 3.753 -6.389 -2.814 401 HB2 TYR 60 1HB TYR 60 0.745 -6.689 -2.811 402 HB3 TYR 60 2HB TYR 60 1.738 -6.700 -4.264 403 HD1 TYR 60 2HD TYR 60 4.062 -8.297 -3.205 404 HD2 TYR 60 1HD TYR 60 -0.139 -8.872 -2.850 405 HE1 TYR 60 2HE TYR 60 4.421 -10.716 -2.944 406 HE2 TYR 60 1HE TYR 60 0.209 -11.293 -2.587 407 HH TYR 60 HH TYR 60 1.720 -12.916 -2.305 408 H THR 61 H THR 61 4.014 -4.742 -4.254 409 HA THR 61 HA THR 61 3.825 -2.142 -3.564 410 HB THR 61 HB THR 61 3.457 -3.226 -6.363 411 HG1 THR 61 1HG THR 61 5.789 -2.572 -6.365 412 HG21 THR 61 1HG2 THR 61 4.575 -0.526 -5.709 413 HG22 THR 61 2HG2 THR 61 2.832 -0.755 -5.847 414 HG23 THR 61 3HG2 THR 61 3.880 -1.110 -7.220 415 H SER 62 H SER 62 1.357 -3.837 -5.502 416 HA SER 62 HA SER 62 -0.767 -2.384 -4.244 417 HB2 SER 62 1HB SER 62 0.181 -1.606 -6.974 418 HB3 SER 62 2HB SER 62 -1.545 -1.546 -6.621 419 HG SER 62 HG SER 62 -0.892 -0.263 -4.724 420 H TRP 63 H TRP 63 -2.327 -3.833 -4.048 421 HA TRP 63 HA TRP 63 -2.455 -6.340 -5.047 422 HB2 TRP 63 1HB TRP 63 -4.798 -4.504 -4.506 423 HB3 TRP 63 2HB TRP 63 -4.925 -6.250 -4.706 424 HD1 TRP 63 HD TRP 63 -2.321 -6.993 -2.931 425 HE1 TRP 63 1HE TRP 63 -2.490 -6.791 -0.371 426 HE3 TRP 63 3HE TRP 63 -6.286 -3.779 -2.632 427 HZ2 TRP 63 2HZ TRP 63 -4.093 -5.447 1.525 428 HZ3 TRP 63 3HZ TRP 63 -7.076 -3.085 -0.407 429 HH2 TRP 63 HH TRP 63 -6.001 -3.903 1.627 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -21.108 8.653 3.250 2 HA2 GLY 1 1HA GLY 1 -22.522 7.332 1.062 3 HA3 GLY 1 2HA GLY 1 -23.009 8.977 1.442 4 H SER 2 H SER 2 -22.157 10.398 0.093 5 HA SER 2 HA SER 2 -20.733 11.433 -1.350 6 HB2 SER 2 1HB SER 2 -18.653 10.172 0.454 7 HB3 SER 2 2HB SER 2 -18.344 11.466 -0.704 8 HG SER 2 HG SER 2 -18.824 11.990 1.635 9 H SER 3 H SER 3 -21.717 9.007 -2.263 10 HA SER 3 HA SER 3 -19.589 7.387 -3.312 11 HB2 SER 3 1HB SER 3 -21.891 6.526 -2.765 12 HB3 SER 3 2HB SER 3 -22.491 7.410 -4.168 13 HG SER 3 HG SER 3 -20.343 5.607 -4.423 14 H GLY 4 H GLY 4 -19.674 6.892 -5.769 15 HA2 GLY 4 1HA GLY 4 -19.912 7.732 -7.990 16 HA3 GLY 4 2HA GLY 4 -20.078 9.351 -7.326 17 H SER 5 H SER 5 -17.796 6.755 -8.001 18 HA SER 5 HA SER 5 -15.662 8.779 -8.114 19 HB2 SER 5 1HB SER 5 -14.074 7.154 -7.208 20 HB3 SER 5 2HB SER 5 -15.402 7.405 -6.075 21 HG SER 5 HG SER 5 -16.208 5.441 -6.561 22 H SER 6 H SER 6 -15.794 8.957 -10.342 23 HA SER 6 HA SER 6 -14.989 6.552 -11.844 24 HB2 SER 6 1HB SER 6 -16.215 7.489 -13.788 25 HB3 SER 6 2HB SER 6 -17.280 7.150 -12.424 26 HG SER 6 HG SER 6 -17.335 9.319 -13.627 27 H GLY 7 H GLY 7 -12.866 6.812 -12.196 28 HA2 GLY 7 1HA GLY 7 -11.961 8.855 -13.957 29 HA3 GLY 7 2HA GLY 7 -11.435 9.179 -12.312 30 H VAL 8 H VAL 8 -9.387 8.938 -13.805 31 HA VAL 8 HA VAL 8 -8.509 6.341 -14.489 32 HB VAL 8 HB VAL 8 -7.491 8.335 -15.464 33 HG11 VAL 8 1HG1 VAL 8 -6.395 8.824 -12.696 34 HG12 VAL 8 2HG1 VAL 8 -5.933 9.711 -14.150 35 HG13 VAL 8 3HG1 VAL 8 -7.586 9.813 -13.541 36 HG21 VAL 8 1HG2 VAL 8 -6.209 6.255 -15.418 37 HG22 VAL 8 2HG2 VAL 8 -5.149 7.659 -15.294 38 HG23 VAL 8 3HG2 VAL 8 -5.523 6.708 -13.857 39 H PHE 9 H PHE 9 -8.004 8.354 -11.618 40 HA PHE 9 HA PHE 9 -6.220 6.616 -10.301 41 HB2 PHE 9 1HB PHE 9 -8.157 8.523 -8.982 42 HB3 PHE 9 2HB PHE 9 -6.634 7.930 -8.330 43 HD1 PHE 9 1HD PHE 9 -8.157 10.128 -10.860 44 HD2 PHE 9 2HD PHE 9 -4.569 8.947 -8.899 45 HE1 PHE 9 1HE PHE 9 -6.997 12.075 -11.818 46 HE2 PHE 9 2HE PHE 9 -3.403 10.892 -9.852 47 HZ PHE 9 HZ PHE 9 -4.617 12.460 -11.313 48 H HIS 10 H HIS 10 -6.633 5.313 -8.398 49 HA HIS 10 HA HIS 10 -9.318 4.097 -8.421 50 HB2 HIS 10 1HB HIS 10 -7.322 2.726 -9.333 51 HB3 HIS 10 2HB HIS 10 -6.831 2.592 -7.647 52 HD1 HIS 10 1HD HIS 10 -8.379 1.198 -6.072 53 HD2 HIS 10 2HD HIS 10 -9.479 1.146 -10.079 54 HE1 HIS 10 1HE HIS 10 -10.029 -0.688 -6.293 55 HA PRO 11 HA PRO 11 -9.517 5.248 -4.164 56 HB2 PRO 11 1HB PRO 11 -11.601 3.662 -3.447 57 HB3 PRO 11 2HB PRO 11 -11.799 5.133 -4.407 58 HG2 PRO 11 1HG PRO 11 -11.691 2.282 -5.311 59 HG3 PRO 11 2HG PRO 11 -12.777 3.582 -5.836 60 HD2 PRO 11 1HD PRO 11 -10.615 2.818 -7.276 61 HD3 PRO 11 2HD PRO 11 -11.204 4.492 -7.255 62 H VAL 12 H VAL 12 -8.034 4.583 -2.746 63 HA VAL 12 HA VAL 12 -7.282 1.807 -2.526 64 HB VAL 12 HB VAL 12 -6.362 4.179 -0.896 65 HG11 VAL 12 1HG1 VAL 12 -4.560 2.811 -0.148 66 HG12 VAL 12 2HG1 VAL 12 -6.053 1.914 0.137 67 HG13 VAL 12 3HG1 VAL 12 -5.023 1.502 -1.235 68 HG21 VAL 12 1HG2 VAL 12 -4.469 4.301 -2.349 69 HG22 VAL 12 2HG2 VAL 12 -4.965 2.844 -3.210 70 HG23 VAL 12 3HG2 VAL 12 -5.917 4.321 -3.355 71 H GLU 13 H GLU 13 -9.080 0.742 -1.697 72 HA GLU 13 HA GLU 13 -9.656 1.330 1.130 73 HB2 GLU 13 1HB GLU 13 -11.614 0.533 -1.027 74 HB3 GLU 13 2HB GLU 13 -11.990 0.509 0.690 75 HG2 GLU 13 1HG GLU 13 -11.879 2.832 0.870 76 HG3 GLU 13 2HG GLU 13 -11.009 2.998 -0.654 77 H CYS 14 H CYS 14 -9.584 -0.362 2.495 78 HA CYS 14 HA CYS 14 -8.381 -2.774 1.707 79 HB2 CYS 14 1HB CYS 14 -8.593 -1.606 4.059 80 HB3 CYS 14 2HB CYS 14 -10.019 -2.628 4.206 81 H SER 15 H SER 15 -9.481 -4.942 2.511 82 HA SER 15 HA SER 15 -11.971 -5.152 0.977 83 HB2 SER 15 1HB SER 15 -10.257 -6.647 0.198 84 HB3 SER 15 2HB SER 15 -9.946 -7.230 1.833 85 HG SER 15 HG SER 15 -12.538 -7.484 0.834 86 H TYR 16 H TYR 16 -10.608 -5.679 4.151 87 HA TYR 16 HA TYR 16 -13.124 -6.816 5.119 88 HB2 TYR 16 1HB TYR 16 -10.985 -7.906 5.756 89 HB3 TYR 16 2HB TYR 16 -10.507 -6.430 6.587 90 HD1 TYR 16 2HD TYR 16 -12.100 -5.598 8.461 91 HD2 TYR 16 1HD TYR 16 -12.138 -9.561 6.913 92 HE1 TYR 16 2HE TYR 16 -13.225 -6.379 10.504 93 HE2 TYR 16 1HE TYR 16 -13.264 -10.353 8.951 94 HH TYR 16 HH TYR 16 -13.848 -8.194 11.684 95 H CYS 17 H CYS 17 -10.803 -4.430 6.404 96 HA CYS 17 HA CYS 17 -12.896 -3.082 7.854 97 HB2 CYS 17 1HB CYS 17 -11.170 -1.728 8.784 98 HB3 CYS 17 2HB CYS 17 -10.518 -3.360 8.672 99 H HIS 18 H HIS 18 -12.367 -3.116 4.723 100 HA HIS 18 HA HIS 18 -12.415 -1.600 2.979 101 HB2 HIS 18 1HB HIS 18 -14.662 -0.505 4.681 102 HB3 HIS 18 2HB HIS 18 -14.516 -0.406 2.928 103 HD1 HIS 18 1HD HIS 18 -16.492 -2.074 5.195 104 HD2 HIS 18 2HD HIS 18 -14.162 -3.414 2.028 105 HE1 HIS 18 1HE HIS 18 -17.430 -4.323 4.575 106 H SER 19 H SER 19 -10.387 -0.793 4.596 107 HA SER 19 HA SER 19 -10.416 1.673 5.779 108 HB2 SER 19 1HB SER 19 -8.451 0.070 5.541 109 HB3 SER 19 2HB SER 19 -8.175 0.793 3.956 110 HG SER 19 HG SER 19 -7.086 1.679 5.991 111 H GLU 20 H GLU 20 -9.189 3.661 4.786 112 HA GLU 20 HA GLU 20 -10.267 4.223 2.108 113 HB2 GLU 20 1HB GLU 20 -10.840 6.514 2.873 114 HB3 GLU 20 2HB GLU 20 -11.785 5.263 3.668 115 HG2 GLU 20 1HG GLU 20 -10.578 5.485 5.678 116 HG3 GLU 20 2HG GLU 20 -9.322 6.449 4.904 117 H SER 21 H SER 21 -7.910 4.987 4.605 118 HA SER 21 HA SER 21 -6.397 6.971 3.665 119 HB2 SER 21 1HB SER 21 -4.534 6.052 4.758 120 HB3 SER 21 2HB SER 21 -5.900 5.301 5.582 121 HG SER 21 HG SER 21 -4.000 3.969 4.704 122 H MET 22 H MET 22 -4.692 7.284 2.190 123 HA MET 22 HA MET 22 -5.086 6.279 -0.374 124 HB2 MET 22 1HB MET 22 -3.321 7.603 -1.022 125 HB3 MET 22 2HB MET 22 -3.728 8.351 0.516 126 HG2 MET 22 1HG MET 22 -1.928 7.216 1.614 127 HG3 MET 22 2HG MET 22 -1.583 6.274 0.165 128 HE1 MET 22 1HE MET 22 -0.880 9.025 -2.347 129 HE2 MET 22 2HE MET 22 0.304 7.765 -2.003 130 HE3 MET 22 3HE MET 22 -1.417 7.377 -2.021 131 H MET 23 H MET 23 -2.894 5.397 -1.551 132 HA MET 23 HA MET 23 -2.806 2.701 -1.181 133 HB2 MET 23 1HB MET 23 -0.708 2.681 -2.410 134 HB3 MET 23 2HB MET 23 -1.801 3.871 -3.103 135 HG2 MET 23 1HG MET 23 0.132 5.068 -3.080 136 HG3 MET 23 2HG MET 23 -0.522 5.508 -1.504 137 HE1 MET 23 1HE MET 23 3.151 5.659 -1.378 138 HE2 MET 23 2HE MET 23 3.316 4.430 -2.633 139 HE3 MET 23 3HE MET 23 2.147 5.738 -2.826 140 H GLY 24 H GLY 24 -0.801 1.389 -0.514 141 HA2 GLY 24 1HA GLY 24 1.033 1.126 1.006 142 HA3 GLY 24 2HA GLY 24 0.407 2.478 1.937 143 H PHE 25 H PHE 25 1.139 -0.265 2.761 144 HA PHE 25 HA PHE 25 0.410 -1.723 4.356 145 HB2 PHE 25 1HB PHE 25 -2.312 -0.473 4.411 146 HB3 PHE 25 2HB PHE 25 -1.378 -1.168 5.732 147 HD1 PHE 25 1HD PHE 25 0.822 0.108 6.338 148 HD2 PHE 25 2HD PHE 25 -2.450 1.814 4.218 149 HE1 PHE 25 1HE PHE 25 1.578 2.357 6.989 150 HE2 PHE 25 2HE PHE 25 -1.700 4.066 4.864 151 HZ PHE 25 HZ PHE 25 0.317 4.340 6.251 152 H ARG 26 H ARG 26 0.317 -2.488 1.739 153 HA ARG 26 HA ARG 26 -2.251 -3.883 1.428 154 HB2 ARG 26 1HB ARG 26 -0.043 -3.409 -0.584 155 HB3 ARG 26 2HB ARG 26 -1.551 -4.254 -0.909 156 HG2 ARG 26 1HG ARG 26 -2.732 -2.120 -0.227 157 HG3 ARG 26 2HG ARG 26 -1.148 -1.344 -0.296 158 HD2 ARG 26 1HD ARG 26 -1.055 -2.464 -2.667 159 HD3 ARG 26 2HD ARG 26 -2.810 -2.480 -2.497 160 HE ARG 26 HE ARG 26 -1.399 0.046 -2.079 161 HH11 ARG 26 2HH1 ARG 26 -3.461 -1.944 -4.055 162 HH12 ARG 26 1HH1 ARG 26 -4.015 -0.626 -5.033 163 HH21 ARG 26 2HH2 ARG 26 -2.121 1.790 -3.359 164 HH22 ARG 26 1HH2 ARG 26 -3.252 1.498 -4.636 165 H TYR 27 H TYR 27 -2.204 -5.810 2.398 166 HA TYR 27 HA TYR 27 0.126 -7.544 1.900 167 HB2 TYR 27 1HB TYR 27 -1.570 -7.527 4.404 168 HB3 TYR 27 2HB TYR 27 -0.151 -8.524 4.104 169 HD1 TYR 27 1HD TYR 27 2.089 -7.552 4.167 170 HD2 TYR 27 2HD TYR 27 -1.354 -5.192 4.993 171 HE1 TYR 27 1HE TYR 27 3.525 -5.810 5.145 172 HE2 TYR 27 2HE TYR 27 0.072 -3.444 5.972 173 HH TYR 27 HH TYR 27 2.149 -2.957 6.703 174 H ARG 28 H ARG 28 -0.537 -8.972 0.426 175 HA ARG 28 HA ARG 28 -3.256 -10.053 0.593 176 HB2 ARG 28 1HB ARG 28 -2.439 -9.124 -1.575 177 HB3 ARG 28 2HB ARG 28 -1.216 -10.387 -1.612 178 HG2 ARG 28 1HG ARG 28 -2.928 -12.091 -1.723 179 HG3 ARG 28 2HG ARG 28 -4.189 -10.864 -1.578 180 HD2 ARG 28 1HD ARG 28 -3.180 -9.831 -3.683 181 HD3 ARG 28 2HD ARG 28 -2.296 -11.346 -3.861 182 HE ARG 28 HE ARG 28 -5.055 -11.853 -3.506 183 HH11 ARG 28 2HH1 ARG 28 -2.769 -10.677 -5.854 184 HH12 ARG 28 1HH1 ARG 28 -3.717 -11.172 -7.217 185 HH21 ARG 28 2HH2 ARG 28 -6.312 -12.509 -5.293 186 HH22 ARG 28 1HH2 ARG 28 -5.733 -12.213 -6.897 187 H CYS 29 H CYS 29 -3.641 -12.050 1.298 188 HA CYS 29 HA CYS 29 -1.894 -13.630 2.654 189 HB2 CYS 29 1HB CYS 29 -4.246 -14.085 2.758 190 HB3 CYS 29 2HB CYS 29 -4.309 -14.457 1.038 191 H GLN 30 H GLN 30 -0.954 -15.747 2.148 192 HA GLN 30 HA GLN 30 0.684 -15.603 -0.178 193 HB2 GLN 30 1HB GLN 30 0.360 -17.522 2.086 194 HB3 GLN 30 2HB GLN 30 1.219 -18.058 0.649 195 HG2 GLN 30 1HG GLN 30 2.496 -15.766 1.016 196 HG3 GLN 30 2HG GLN 30 1.983 -16.043 2.680 197 HE21 GLN 30 1HE2 GLN 30 3.962 -17.161 0.062 198 HE22 GLN 30 2HE2 GLN 30 4.900 -18.285 0.977 199 H GLN 31 H GLN 31 -1.325 -18.365 0.824 200 HA GLN 31 HA GLN 31 -1.956 -18.812 -2.014 201 HB2 GLN 31 1HB GLN 31 -0.718 -20.576 -0.569 202 HB3 GLN 31 2HB GLN 31 -2.299 -20.876 0.140 203 HG2 GLN 31 1HG GLN 31 -3.156 -21.279 -2.181 204 HG3 GLN 31 2HG GLN 31 -1.483 -21.213 -2.731 205 HE21 GLN 31 1HE2 GLN 31 -0.484 -23.082 -2.872 206 HE22 GLN 31 2HE2 GLN 31 -0.877 -24.518 -1.997 207 H CYS 32 H CYS 32 -3.850 -17.853 -2.446 208 HA CYS 32 HA CYS 32 -6.259 -18.890 -1.431 209 HB2 CYS 32 1HB CYS 32 -5.181 -16.471 -0.092 210 HB3 CYS 32 2HB CYS 32 -6.892 -16.443 -0.506 211 H HIS 33 H HIS 33 -8.114 -18.018 -2.476 212 HA HIS 33 HA HIS 33 -7.680 -17.163 -5.109 213 HB2 HIS 33 1HB HIS 33 -10.236 -16.877 -3.519 214 HB3 HIS 33 2HB HIS 33 -10.085 -16.938 -5.273 215 HD1 HIS 33 1HD HIS 33 -11.240 -18.986 -2.742 216 HD2 HIS 33 2HD HIS 33 -8.545 -19.618 -5.839 217 HE1 HIS 33 1HE HIS 33 -11.167 -21.478 -3.071 218 H ASN 34 H ASN 34 -9.567 -15.300 -2.737 219 HA ASN 34 HA ASN 34 -8.121 -12.881 -3.559 220 HB2 ASN 34 1HB ASN 34 -11.096 -13.332 -3.598 221 HB3 ASN 34 2HB ASN 34 -10.425 -11.713 -3.423 222 HD21 ASN 34 1HD2 ASN 34 -8.955 -10.980 -5.108 223 HD22 ASN 34 2HD2 ASN 34 -9.204 -11.525 -6.728 224 H TYR 35 H TYR 35 -7.030 -12.956 -1.564 225 HA TYR 35 HA TYR 35 -8.678 -12.082 0.706 226 HB2 TYR 35 1HB TYR 35 -7.749 -14.568 0.709 227 HB3 TYR 35 2HB TYR 35 -6.278 -13.769 1.252 228 HD1 TYR 35 2HD TYR 35 -9.922 -13.976 2.025 229 HD2 TYR 35 1HD TYR 35 -5.988 -13.335 3.514 230 HE1 TYR 35 2HE TYR 35 -10.805 -13.925 4.320 231 HE2 TYR 35 1HE TYR 35 -6.860 -13.284 5.813 232 HH TYR 35 HH TYR 35 -10.085 -14.216 6.576 233 H GLN 36 H GLN 36 -8.103 -9.986 0.793 234 HA GLN 36 HA GLN 36 -5.228 -9.386 1.018 235 HB2 GLN 36 1HB GLN 36 -7.405 -7.887 -0.410 236 HB3 GLN 36 2HB GLN 36 -5.957 -7.060 0.148 237 HG2 GLN 36 1HG GLN 36 -4.596 -8.130 -1.353 238 HG3 GLN 36 2HG GLN 36 -5.667 -9.523 -1.495 239 HE21 GLN 36 1HE2 GLN 36 -4.513 -8.123 -3.657 240 HE22 GLN 36 2HE2 GLN 36 -5.793 -7.412 -4.574 241 H LEU 37 H LEU 37 -4.586 -8.115 2.690 242 HA LEU 37 HA LEU 37 -6.615 -6.799 4.332 243 HB2 LEU 37 1HB LEU 37 -4.516 -8.617 5.498 244 HB3 LEU 37 2HB LEU 37 -5.770 -7.745 6.377 245 HG LEU 37 HG LEU 37 -6.374 -9.907 4.369 246 HD11 LEU 37 1HD1 LEU 37 -5.201 -10.182 6.952 247 HD12 LEU 37 2HD1 LEU 37 -5.711 -11.438 5.825 248 HD13 LEU 37 3HD1 LEU 37 -6.854 -10.795 7.003 249 HD21 LEU 37 1HD2 LEU 37 -8.353 -8.813 4.653 250 HD22 LEU 37 2HD2 LEU 37 -7.936 -8.242 6.269 251 HD23 LEU 37 3HD2 LEU 37 -8.437 -9.916 6.026 252 H CYS 38 H CYS 38 -5.721 -5.233 5.834 253 HA CYS 38 HA CYS 38 -3.196 -4.113 4.829 254 HB2 CYS 38 1HB CYS 38 -3.964 -1.965 5.594 255 HB3 CYS 38 2HB CYS 38 -5.259 -2.708 4.660 256 H GLN 39 H GLN 39 -1.898 -2.890 6.476 257 HA GLN 39 HA GLN 39 -0.737 -4.407 8.340 258 HB2 GLN 39 1HB GLN 39 -0.329 -1.910 7.689 259 HB3 GLN 39 2HB GLN 39 -1.310 -1.567 9.107 260 HG2 GLN 39 1HG GLN 39 0.247 -2.815 10.501 261 HG3 GLN 39 2HG GLN 39 1.222 -3.194 9.083 262 HE21 GLN 39 1HE2 GLN 39 1.663 -1.052 7.761 263 HE22 GLN 39 2HE2 GLN 39 2.329 0.228 8.711 264 H ASP 40 H ASP 40 -3.523 -2.309 9.065 265 HA ASP 40 HA ASP 40 -3.839 -3.031 11.739 266 HB2 ASP 40 1HB ASP 40 -5.041 -1.220 10.225 267 HB3 ASP 40 2HB ASP 40 -6.260 -2.484 10.078 268 H CYS 41 H CYS 41 -5.876 -4.182 9.044 269 HA CYS 41 HA CYS 41 -7.269 -6.151 10.278 270 HB2 CYS 41 1HB CYS 41 -6.084 -6.113 7.505 271 HB3 CYS 41 2HB CYS 41 -7.158 -7.397 8.050 272 H PHE 42 H PHE 42 -4.011 -6.509 8.905 273 HA PHE 42 HA PHE 42 -3.672 -9.221 9.547 274 HB2 PHE 42 1HB PHE 42 -2.240 -7.842 7.985 275 HB3 PHE 42 2HB PHE 42 -1.471 -7.156 9.413 276 HD1 PHE 42 2HD PHE 42 -2.462 -10.610 8.396 277 HD2 PHE 42 1HD PHE 42 0.632 -8.003 9.720 278 HE1 PHE 42 2HE PHE 42 -0.895 -12.506 8.457 279 HE2 PHE 42 1HE PHE 42 2.204 -9.895 9.782 280 HZ PHE 42 HZ PHE 42 1.441 -12.150 9.151 281 H TRP 43 H TRP 43 -2.655 -6.297 11.299 282 HA TRP 43 HA TRP 43 -1.400 -7.502 13.452 283 HB2 TRP 43 1HB TRP 43 -2.801 -4.899 13.049 284 HB3 TRP 43 2HB TRP 43 -2.386 -5.371 14.695 285 HD1 TRP 43 HD TRP 43 -0.220 -5.878 11.525 286 HE1 TRP 43 1HE TRP 43 2.026 -4.677 11.898 287 HE3 TRP 43 3HE TRP 43 -1.198 -3.715 16.053 288 HZ2 TRP 43 2HZ TRP 43 3.225 -3.032 13.853 289 HZ3 TRP 43 3HZ TRP 43 0.552 -2.344 17.107 290 HH2 TRP 43 HH TRP 43 2.717 -2.011 16.029 291 H ARG 44 H ARG 44 -4.835 -6.705 13.052 292 HA ARG 44 HA ARG 44 -5.618 -7.655 15.612 293 HB2 ARG 44 1HB ARG 44 -7.267 -7.273 13.106 294 HB3 ARG 44 2HB ARG 44 -7.912 -7.521 14.723 295 HG2 ARG 44 1HG ARG 44 -6.565 -5.419 15.349 296 HG3 ARG 44 2HG ARG 44 -6.492 -5.137 13.609 297 HD2 ARG 44 1HD ARG 44 -8.968 -5.283 13.536 298 HD3 ARG 44 2HD ARG 44 -8.976 -5.422 15.293 299 HE ARG 44 HE ARG 44 -7.547 -3.121 14.598 300 HH11 ARG 44 2HH1 ARG 44 -10.799 -4.359 14.482 301 HH12 ARG 44 1HH1 ARG 44 -11.537 -2.796 14.601 302 HH21 ARG 44 2HH2 ARG 44 -8.507 -1.058 14.754 303 HH22 ARG 44 1HH2 ARG 44 -10.232 -0.919 14.754 304 H GLY 45 H GLY 45 -5.417 -9.119 12.413 305 HA2 GLY 45 1HA GLY 45 -5.061 -11.414 12.025 306 HA3 GLY 45 2HA GLY 45 -5.608 -11.753 13.660 307 H HIS 46 H HIS 46 -6.453 -11.677 10.379 308 HA HIS 46 HA HIS 46 -9.279 -12.159 11.066 309 HB2 HIS 46 1HB HIS 46 -8.118 -10.914 8.567 310 HB3 HIS 46 2HB HIS 46 -9.809 -11.374 8.749 311 HD1 HIS 46 1HD HIS 46 -9.105 -8.462 8.193 312 HD2 HIS 46 2HD HIS 46 -9.544 -10.031 12.015 313 HE1 HIS 46 1HE HIS 46 -9.642 -6.498 9.668 314 H ALA 47 H ALA 47 -10.366 -13.817 9.961 315 HA ALA 47 HA ALA 47 -9.207 -15.408 7.939 316 HB1 ALA 47 1HB ALA 47 -7.991 -15.916 10.308 317 HB2 ALA 47 2HB ALA 47 -9.295 -17.104 10.335 318 HB3 ALA 47 3HB ALA 47 -8.148 -17.084 8.996 319 H GLY 48 H GLY 48 -10.377 -17.743 8.052 320 HA2 GLY 48 1HA GLY 48 -12.914 -17.925 9.248 321 HA3 GLY 48 2HA GLY 48 -13.106 -17.225 7.648 322 H GLY 49 H GLY 49 -14.406 -19.468 7.916 323 HA2 GLY 49 1HA GLY 49 -13.358 -21.944 7.764 324 HA3 GLY 49 2HA GLY 49 -14.676 -21.434 6.719 325 H SER 50 H SER 50 -13.176 -19.527 5.202 326 HA SER 50 HA SER 50 -11.923 -21.357 3.356 327 HB2 SER 50 1HB SER 50 -11.649 -19.277 1.952 328 HB3 SER 50 2HB SER 50 -13.313 -19.652 2.397 329 HG SER 50 HG SER 50 -13.306 -18.014 3.846 330 H HIS 51 H HIS 51 -10.830 -18.215 4.646 331 HA HIS 51 HA HIS 51 -8.074 -18.914 4.200 332 HB2 HIS 51 1HB HIS 51 -8.763 -16.615 3.862 333 HB3 HIS 51 2HB HIS 51 -9.350 -16.510 5.520 334 HD2 HIS 51 2HD HIS 51 -7.388 -16.070 7.455 335 HE1 HIS 51 1HE HIS 51 -4.170 -15.665 4.720 336 HE2 HIS 51 2HE HIS 51 -4.890 -15.484 7.127 337 H SER 52 H SER 52 -6.651 -19.717 5.618 338 HA SER 52 HA SER 52 -7.611 -20.308 8.318 339 HB2 SER 52 1HB SER 52 -6.660 -22.118 6.813 340 HB3 SER 52 2HB SER 52 -5.089 -21.342 7.012 341 HG SER 52 HG SER 52 -6.301 -23.051 8.646 342 H ASN 53 H ASN 53 -6.631 -19.581 10.148 343 HA ASN 53 HA ASN 53 -5.273 -17.159 10.131 344 HB2 ASN 53 1HB ASN 53 -4.665 -17.771 12.530 345 HB3 ASN 53 2HB ASN 53 -6.381 -17.781 12.132 346 HD21 ASN 53 1HD2 ASN 53 -3.673 -19.629 13.127 347 HD22 ASN 53 2HD2 ASN 53 -4.496 -21.133 13.343 348 H GLN 54 H GLN 54 -4.082 -20.328 9.609 349 HA GLN 54 HA GLN 54 -1.339 -19.681 10.281 350 HB2 GLN 54 1HB GLN 54 -2.570 -21.997 10.430 351 HB3 GLN 54 2HB GLN 54 -2.123 -22.120 8.734 352 HG2 GLN 54 1HG GLN 54 0.176 -22.055 9.228 353 HG3 GLN 54 2HG GLN 54 -0.117 -21.521 10.882 354 HE21 GLN 54 1HE2 GLN 54 1.424 -23.784 9.989 355 HE22 GLN 54 2HE2 GLN 54 0.696 -25.188 10.682 356 H HIS 55 H HIS 55 -2.842 -18.228 8.134 357 HA HIS 55 HA HIS 55 -1.135 -18.881 5.829 358 HB2 HIS 55 1HB HIS 55 -3.828 -17.579 6.073 359 HB3 HIS 55 2HB HIS 55 -2.826 -17.277 4.656 360 HD2 HIS 55 2HD HIS 55 -2.542 -20.892 5.862 361 HE1 HIS 55 1HE HIS 55 -5.363 -20.858 2.693 362 HE2 HIS 55 2HE HIS 55 -4.016 -22.294 4.264 363 H GLN 56 H GLN 56 0.562 -17.619 5.498 364 HA GLN 56 HA GLN 56 0.853 -15.125 6.909 365 HB2 GLN 56 1HB GLN 56 2.613 -16.724 5.073 366 HB3 GLN 56 2HB GLN 56 3.051 -15.086 5.538 367 HG2 GLN 56 1HG GLN 56 3.069 -15.713 7.870 368 HG3 GLN 56 2HG GLN 56 2.524 -17.339 7.461 369 HE21 GLN 56 1HE2 GLN 56 4.374 -18.176 8.499 370 HE22 GLN 56 2HE2 GLN 56 5.920 -18.146 7.729 371 H MET 57 H MET 57 0.895 -13.076 6.067 372 HA MET 57 HA MET 57 -0.275 -12.791 3.395 373 HB2 MET 57 1HB MET 57 0.042 -10.620 5.463 374 HB3 MET 57 2HB MET 57 -1.027 -10.635 4.066 375 HG2 MET 57 1HG MET 57 -1.285 -12.546 6.371 376 HG3 MET 57 2HG MET 57 -2.132 -11.004 6.280 377 HE1 MET 57 1HE MET 57 -4.076 -10.464 4.905 378 HE2 MET 57 2HE MET 57 -3.227 -10.641 3.370 379 HE3 MET 57 3HE MET 57 -4.777 -11.445 3.618 380 H LYS 58 H LYS 58 0.866 -12.029 1.737 381 HA LYS 58 HA LYS 58 3.579 -11.053 2.251 382 HB2 LYS 58 1HB LYS 58 2.796 -12.940 0.528 383 HB3 LYS 58 2HB LYS 58 2.602 -11.538 -0.517 384 HG2 LYS 58 1HG LYS 58 4.751 -12.110 -1.005 385 HG3 LYS 58 2HG LYS 58 5.030 -10.984 0.326 386 HD2 LYS 58 1HD LYS 58 4.632 -13.851 0.996 387 HD3 LYS 58 2HD LYS 58 6.161 -13.387 0.246 388 HE2 LYS 58 1HE LYS 58 6.344 -11.599 2.018 389 HE3 LYS 58 2HE LYS 58 4.974 -12.368 2.819 390 HZ1 LYS 58 1HZ LYS 58 7.733 -13.202 2.685 391 HZ2 LYS 58 2HZ LYS 58 6.625 -14.447 2.396 392 HZ3 LYS 58 3HZ LYS 58 6.547 -13.564 3.836 393 H GLU 59 H GLU 59 4.120 -8.984 1.992 394 HA GLU 59 HA GLU 59 2.140 -7.038 1.340 395 HB2 GLU 59 1HB GLU 59 3.925 -5.400 1.675 396 HB3 GLU 59 2HB GLU 59 3.900 -6.580 2.978 397 HG2 GLU 59 1HG GLU 59 5.820 -7.676 2.153 398 HG3 GLU 59 2HG GLU 59 5.744 -6.809 0.621 399 H TYR 60 H TYR 60 1.906 -5.785 -0.468 400 HA TYR 60 HA TYR 60 3.725 -6.236 -2.719 401 HB2 TYR 60 1HB TYR 60 0.730 -6.616 -2.782 402 HB3 TYR 60 2HB TYR 60 1.705 -6.410 -4.233 403 HD1 TYR 60 2HD TYR 60 3.540 -8.106 -4.696 404 HD2 TYR 60 1HD TYR 60 0.517 -8.724 -1.766 405 HE1 TYR 60 2HE TYR 60 4.008 -10.521 -4.730 406 HE2 TYR 60 1HE TYR 60 0.977 -11.140 -1.791 407 HH TYR 60 HH TYR 60 2.029 -12.802 -2.918 408 H THR 61 H THR 61 3.521 -4.625 -4.417 409 HA THR 61 HA THR 61 3.309 -2.002 -3.378 410 HB THR 61 HB THR 61 3.348 -2.767 -6.300 411 HG1 THR 61 1HG THR 61 5.595 -2.241 -4.634 412 HG21 THR 61 1HG2 THR 61 3.406 -0.570 -6.660 413 HG22 THR 61 2HG2 THR 61 4.876 -0.456 -5.692 414 HG23 THR 61 3HG2 THR 61 3.299 -0.271 -4.926 415 H SER 62 H SER 62 1.302 -3.766 -5.736 416 HA SER 62 HA SER 62 -0.977 -2.107 -4.931 417 HB2 SER 62 1HB SER 62 -0.083 -2.593 -7.780 418 HB3 SER 62 2HB SER 62 -1.663 -1.944 -7.343 419 HG SER 62 HG SER 62 -0.097 -0.312 -7.827 420 H TRP 63 H TRP 63 -3.048 -3.049 -5.412 421 HA TRP 63 HA TRP 63 -2.965 -5.950 -5.244 422 HB2 TRP 63 1HB TRP 63 -5.083 -3.871 -4.780 423 HB3 TRP 63 2HB TRP 63 -5.524 -5.567 -4.964 424 HD1 TRP 63 HD TRP 63 -3.129 -6.860 -3.305 425 HE1 TRP 63 1HE TRP 63 -3.087 -6.602 -0.744 426 HE3 TRP 63 3HE TRP 63 -6.159 -2.768 -2.852 427 HZ2 TRP 63 2HZ TRP 63 -4.193 -4.891 1.209 428 HZ3 TRP 63 3HZ TRP 63 -6.617 -1.883 -0.602 429 HH2 TRP 63 HH TRP 63 -5.654 -2.924 1.385 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.453 13.326 11.042 2 HA2 GLY 1 1HA GLY 1 -12.655 13.770 9.122 3 HA3 GLY 1 2HA GLY 1 -13.276 15.218 9.899 4 H SER 2 H SER 2 -11.428 14.108 7.400 5 HA SER 2 HA SER 2 -10.582 16.722 6.655 6 HB2 SER 2 1HB SER 2 -8.838 15.760 8.401 7 HB3 SER 2 2HB SER 2 -8.242 14.891 6.987 8 HG SER 2 HG SER 2 -7.342 16.674 6.372 9 H SER 3 H SER 3 -10.460 16.837 4.497 10 HA SER 3 HA SER 3 -9.664 14.551 2.910 11 HB2 SER 3 1HB SER 3 -11.772 14.633 1.539 12 HB3 SER 3 2HB SER 3 -11.994 14.010 3.174 13 HG SER 3 HG SER 3 -12.736 16.100 3.770 14 H GLY 4 H GLY 4 -9.981 15.167 0.467 15 HA2 GLY 4 1HA GLY 4 -9.903 17.968 -0.150 16 HA3 GLY 4 2HA GLY 4 -8.305 17.236 -0.171 17 H SER 5 H SER 5 -10.747 18.133 -2.108 18 HA SER 5 HA SER 5 -10.789 15.847 -3.878 19 HB2 SER 5 1HB SER 5 -12.240 17.266 -5.293 20 HB3 SER 5 2HB SER 5 -12.813 17.195 -3.627 21 HG SER 5 HG SER 5 -11.116 19.269 -4.512 22 H SER 6 H SER 6 -8.592 15.653 -4.449 23 HA SER 6 HA SER 6 -7.616 17.763 -6.261 24 HB2 SER 6 1HB SER 6 -6.202 16.095 -4.223 25 HB3 SER 6 2HB SER 6 -5.322 16.577 -5.673 26 HG SER 6 HG SER 6 -6.501 18.742 -4.881 27 H GLY 7 H GLY 7 -7.210 14.276 -5.599 28 HA2 GLY 7 1HA GLY 7 -8.107 13.002 -7.698 29 HA3 GLY 7 2HA GLY 7 -6.766 13.840 -8.465 30 H VAL 8 H VAL 8 -7.186 12.100 -5.380 31 HA VAL 8 HA VAL 8 -4.623 11.124 -5.142 32 HB VAL 8 HB VAL 8 -6.230 10.911 -3.339 33 HG11 VAL 8 1HG1 VAL 8 -7.881 8.931 -3.538 34 HG12 VAL 8 2HG1 VAL 8 -8.288 10.461 -4.318 35 HG13 VAL 8 3HG1 VAL 8 -7.651 9.124 -5.276 36 HG21 VAL 8 1HG2 VAL 8 -5.919 8.275 -3.038 37 HG22 VAL 8 2HG2 VAL 8 -4.780 8.539 -4.358 38 HG23 VAL 8 3HG2 VAL 8 -4.592 9.420 -2.842 39 H PHE 9 H PHE 9 -3.479 9.430 -5.931 40 HA PHE 9 HA PHE 9 -3.923 8.405 -8.427 41 HB2 PHE 9 1HB PHE 9 -2.514 6.888 -6.226 42 HB3 PHE 9 2HB PHE 9 -2.233 6.755 -7.959 43 HD1 PHE 9 2HD PHE 9 -1.237 8.708 -9.179 44 HD2 PHE 9 1HD PHE 9 -1.400 8.494 -4.932 45 HE1 PHE 9 2HE PHE 9 0.509 10.436 -9.029 46 HE2 PHE 9 1HE PHE 9 0.345 10.222 -4.774 47 HZ PHE 9 HZ PHE 9 1.302 11.194 -6.824 48 H HIS 10 H HIS 10 -4.730 6.832 -5.340 49 HA HIS 10 HA HIS 10 -6.987 5.512 -6.567 50 HB2 HIS 10 1HB HIS 10 -4.895 3.766 -5.274 51 HB3 HIS 10 2HB HIS 10 -6.315 3.263 -6.187 52 HD1 HIS 10 1HD HIS 10 -6.124 3.206 -8.734 53 HD2 HIS 10 2HD HIS 10 -2.711 4.637 -6.846 54 HE1 HIS 10 1HE HIS 10 -4.352 3.282 -10.516 55 HA PRO 11 HA PRO 11 -8.571 6.122 -2.506 56 HB2 PRO 11 1HB PRO 11 -10.669 4.402 -2.601 57 HB3 PRO 11 2HB PRO 11 -10.655 5.948 -3.457 58 HG2 PRO 11 1HG PRO 11 -10.093 3.201 -4.503 59 HG3 PRO 11 2HG PRO 11 -11.045 4.504 -5.237 60 HD2 PRO 11 1HD PRO 11 -8.501 3.958 -5.986 61 HD3 PRO 11 2HD PRO 11 -9.174 5.601 -6.018 62 H VAL 12 H VAL 12 -7.263 5.360 -0.927 63 HA VAL 12 HA VAL 12 -6.353 2.733 -0.635 64 HB VAL 12 HB VAL 12 -6.720 4.815 1.524 65 HG11 VAL 12 1HG1 VAL 12 -4.612 2.734 1.665 66 HG12 VAL 12 2HG1 VAL 12 -5.520 3.520 2.958 67 HG13 VAL 12 3HG1 VAL 12 -6.269 2.237 2.007 68 HG21 VAL 12 1HG2 VAL 12 -4.652 4.371 -0.562 69 HG22 VAL 12 2HG2 VAL 12 -5.267 5.877 0.120 70 HG23 VAL 12 3HG2 VAL 12 -4.117 4.900 1.033 71 H GLU 13 H GLU 13 -7.895 1.157 -0.701 72 HA GLU 13 HA GLU 13 -9.855 1.163 1.498 73 HB2 GLU 13 1HB GLU 13 -10.187 0.517 -1.391 74 HB3 GLU 13 2HB GLU 13 -11.100 -0.435 -0.228 75 HG2 GLU 13 1HG GLU 13 -12.093 1.600 0.672 76 HG3 GLU 13 2HG GLU 13 -11.168 2.564 -0.477 77 H CYS 14 H CYS 14 -10.689 -1.147 1.905 78 HA CYS 14 HA CYS 14 -8.462 -3.063 1.694 79 HB2 CYS 14 1HB CYS 14 -8.965 -1.869 4.011 80 HB3 CYS 14 2HB CYS 14 -10.214 -3.106 4.109 81 H SER 15 H SER 15 -9.485 -5.286 2.714 82 HA SER 15 HA SER 15 -11.666 -5.903 0.870 83 HB2 SER 15 1HB SER 15 -11.004 -8.165 1.010 84 HB3 SER 15 2HB SER 15 -9.488 -7.263 1.025 85 HG SER 15 HG SER 15 -9.237 -8.574 2.709 86 H TYR 16 H TYR 16 -10.855 -6.060 4.299 87 HA TYR 16 HA TYR 16 -13.610 -6.887 4.896 88 HB2 TYR 16 1HB TYR 16 -11.759 -8.258 5.843 89 HB3 TYR 16 2HB TYR 16 -11.212 -6.846 6.739 90 HD1 TYR 16 2HD TYR 16 -13.180 -5.694 8.168 91 HD2 TYR 16 1HD TYR 16 -13.058 -9.779 6.983 92 HE1 TYR 16 2HE TYR 16 -14.703 -6.269 10.011 93 HE2 TYR 16 1HE TYR 16 -14.582 -10.364 8.822 94 HH TYR 16 HH TYR 16 -16.159 -9.398 10.285 95 H CYS 17 H CYS 17 -11.230 -4.951 6.697 96 HA CYS 17 HA CYS 17 -13.090 -3.324 7.975 97 HB2 CYS 17 1HB CYS 17 -11.280 -2.053 8.736 98 HB3 CYS 17 2HB CYS 17 -10.564 -3.632 8.430 99 H HIS 18 H HIS 18 -11.999 -3.263 4.735 100 HA HIS 18 HA HIS 18 -12.094 -1.644 3.080 101 HB2 HIS 18 1HB HIS 18 -14.446 -1.054 2.608 102 HB3 HIS 18 2HB HIS 18 -14.256 -2.762 2.992 103 HD1 HIS 18 1HD HIS 18 -15.200 0.439 4.826 104 HD2 HIS 18 2HD HIS 18 -16.037 -3.631 4.829 105 HE1 HIS 18 1HE HIS 18 -17.000 0.124 6.553 106 H SER 19 H SER 19 -10.915 -0.443 5.238 107 HA SER 19 HA SER 19 -12.191 1.864 6.207 108 HB2 SER 19 1HB SER 19 -9.311 1.043 5.945 109 HB3 SER 19 2HB SER 19 -9.734 2.655 6.520 110 HG SER 19 HG SER 19 -11.197 1.334 8.004 111 H GLU 20 H GLU 20 -11.054 4.110 5.754 112 HA GLU 20 HA GLU 20 -10.849 4.485 2.843 113 HB2 GLU 20 1HB GLU 20 -12.152 6.565 3.046 114 HB3 GLU 20 2HB GLU 20 -13.089 5.152 3.510 115 HG2 GLU 20 1HG GLU 20 -11.702 6.942 5.485 116 HG3 GLU 20 2HG GLU 20 -13.375 7.159 4.972 117 H SER 21 H SER 21 -10.218 5.843 6.051 118 HA SER 21 HA SER 21 -8.755 8.049 5.577 119 HB2 SER 21 1HB SER 21 -8.500 5.877 7.596 120 HB3 SER 21 2HB SER 21 -7.174 7.034 7.484 121 HG SER 21 HG SER 21 -9.622 8.234 7.455 122 H MET 22 H MET 22 -7.163 8.529 4.231 123 HA MET 22 HA MET 22 -5.780 6.900 2.574 124 HB2 MET 22 1HB MET 22 -5.744 9.512 2.891 125 HB3 MET 22 2HB MET 22 -4.276 9.176 3.800 126 HG2 MET 22 1HG MET 22 -3.392 7.978 1.813 127 HG3 MET 22 2HG MET 22 -4.818 8.501 0.921 128 HE1 MET 22 1HE MET 22 -3.939 10.860 -0.899 129 HE2 MET 22 2HE MET 22 -2.223 10.473 -0.770 130 HE3 MET 22 3HE MET 22 -3.422 9.179 -0.760 131 H MET 23 H MET 23 -4.571 5.166 2.930 132 HA MET 23 HA MET 23 -2.504 5.269 4.992 133 HB2 MET 23 1HB MET 23 -4.767 3.317 4.874 134 HB3 MET 23 2HB MET 23 -3.199 2.772 5.455 135 HG2 MET 23 1HG MET 23 -3.237 4.252 7.276 136 HG3 MET 23 2HG MET 23 -4.566 5.185 6.591 137 HE1 MET 23 1HE MET 23 -3.515 2.053 8.662 138 HE2 MET 23 2HE MET 23 -3.940 3.537 9.515 139 HE3 MET 23 3HE MET 23 -4.940 2.095 9.701 140 H GLY 24 H GLY 24 -0.825 3.659 4.706 141 HA2 GLY 24 1HA GLY 24 -0.712 2.647 1.930 142 HA3 GLY 24 2HA GLY 24 0.679 3.342 2.749 143 H PHE 25 H PHE 25 -1.475 0.585 2.581 144 HA PHE 25 HA PHE 25 0.629 -1.169 3.443 145 HB2 PHE 25 1HB PHE 25 -1.866 -1.103 5.144 146 HB3 PHE 25 2HB PHE 25 -0.410 -2.056 5.410 147 HD1 PHE 25 1HD PHE 25 1.588 -1.050 6.326 148 HD2 PHE 25 2HD PHE 25 -1.937 1.248 5.687 149 HE1 PHE 25 1HE PHE 25 2.501 0.740 7.748 150 HE2 PHE 25 2HE PHE 25 -1.030 3.041 7.106 151 HZ PHE 25 HZ PHE 25 1.192 2.789 8.138 152 H ARG 26 H ARG 26 0.475 -2.847 2.125 153 HA ARG 26 HA ARG 26 -2.191 -3.892 1.462 154 HB2 ARG 26 1HB ARG 26 0.076 -3.614 -0.518 155 HB3 ARG 26 2HB ARG 26 -1.539 -4.229 -0.848 156 HG2 ARG 26 1HG ARG 26 -1.309 -1.487 0.258 157 HG3 ARG 26 2HG ARG 26 -0.829 -1.748 -1.420 158 HD2 ARG 26 1HD ARG 26 -3.028 -2.796 -1.845 159 HD3 ARG 26 2HD ARG 26 -3.497 -2.421 -0.187 160 HE ARG 26 HE ARG 26 -2.633 -0.130 -1.694 161 HH11 ARG 26 2HH1 ARG 26 -5.327 -2.184 -0.892 162 HH12 ARG 26 1HH1 ARG 26 -6.519 -0.977 -1.241 163 HH21 ARG 26 2HH2 ARG 26 -4.193 1.468 -2.158 164 HH22 ARG 26 1HH2 ARG 26 -5.873 1.100 -1.962 165 H TYR 27 H TYR 27 -2.233 -5.821 2.424 166 HA TYR 27 HA TYR 27 0.106 -7.584 2.095 167 HB2 TYR 27 1HB TYR 27 -1.817 -7.358 4.413 168 HB3 TYR 27 2HB TYR 27 -0.687 -8.694 4.221 169 HD1 TYR 27 2HD TYR 27 -1.030 -5.131 4.994 170 HD2 TYR 27 1HD TYR 27 1.695 -8.369 4.554 171 HE1 TYR 27 2HE TYR 27 0.713 -3.810 6.120 172 HE2 TYR 27 1HE TYR 27 3.445 -7.058 5.680 173 HH TYR 27 HH TYR 27 3.328 -3.815 6.100 174 H ARG 28 H ARG 28 -0.347 -9.048 0.591 175 HA ARG 28 HA ARG 28 -3.088 -10.054 0.337 176 HB2 ARG 28 1HB ARG 28 -1.722 -9.151 -1.646 177 HB3 ARG 28 2HB ARG 28 -0.812 -10.652 -1.538 178 HG2 ARG 28 1HG ARG 28 -3.793 -10.703 -1.745 179 HG3 ARG 28 2HG ARG 28 -2.792 -10.488 -3.183 180 HD2 ARG 28 1HD ARG 28 -1.520 -12.569 -2.269 181 HD3 ARG 28 2HD ARG 28 -2.997 -12.837 -1.345 182 HE ARG 28 HE ARG 28 -4.101 -13.378 -3.299 183 HH11 ARG 28 2HH1 ARG 28 -0.934 -12.121 -4.011 184 HH12 ARG 28 1HH1 ARG 28 -0.975 -12.600 -5.675 185 HH21 ARG 28 2HH2 ARG 28 -4.168 -14.014 -5.489 186 HH22 ARG 28 1HH2 ARG 28 -2.815 -13.675 -6.515 187 H CYS 29 H CYS 29 -3.632 -12.015 1.028 188 HA CYS 29 HA CYS 29 -2.048 -13.632 2.589 189 HB2 CYS 29 1HB CYS 29 -4.392 -13.975 2.660 190 HB3 CYS 29 2HB CYS 29 -4.479 -14.269 0.927 191 H GLN 30 H GLN 30 -1.300 -15.866 2.172 192 HA GLN 30 HA GLN 30 0.481 -15.907 -0.053 193 HB2 GLN 30 1HB GLN 30 -0.198 -17.895 2.102 194 HB3 GLN 30 2HB GLN 30 0.909 -18.295 0.796 195 HG2 GLN 30 1HG GLN 30 2.102 -16.091 1.527 196 HG3 GLN 30 2HG GLN 30 1.242 -16.368 3.040 197 HE21 GLN 30 1HE2 GLN 30 3.810 -17.363 0.991 198 HE22 GLN 30 2HE2 GLN 30 4.473 -18.569 2.035 199 H GLN 31 H GLN 31 -1.795 -18.483 0.860 200 HA GLN 31 HA GLN 31 -2.326 -18.898 -2.003 201 HB2 GLN 31 1HB GLN 31 -1.316 -20.727 -0.390 202 HB3 GLN 31 2HB GLN 31 -3.002 -20.950 0.059 203 HG2 GLN 31 1HG GLN 31 -2.601 -22.523 -1.620 204 HG3 GLN 31 2HG GLN 31 -3.476 -21.216 -2.415 205 HE21 GLN 31 1HE2 GLN 31 -0.278 -22.578 -1.880 206 HE22 GLN 31 2HE2 GLN 31 0.425 -21.973 -3.337 207 H CYS 32 H CYS 32 -4.124 -17.809 -2.525 208 HA CYS 32 HA CYS 32 -6.645 -18.658 -1.601 209 HB2 CYS 32 1HB CYS 32 -5.448 -16.299 -0.257 210 HB3 CYS 32 2HB CYS 32 -7.133 -16.153 -0.746 211 H HIS 33 H HIS 33 -8.405 -17.589 -2.683 212 HA HIS 33 HA HIS 33 -7.760 -16.800 -5.324 213 HB2 HIS 33 1HB HIS 33 -10.398 -16.490 -3.878 214 HB3 HIS 33 2HB HIS 33 -10.154 -16.475 -5.622 215 HD1 HIS 33 1HD HIS 33 -8.926 -18.869 -6.467 216 HD2 HIS 33 2HD HIS 33 -11.219 -18.901 -3.002 217 HE1 HIS 33 1HE HIS 33 -9.542 -21.278 -6.091 218 H ASN 34 H ASN 34 -9.678 -14.915 -2.986 219 HA ASN 34 HA ASN 34 -8.170 -12.521 -3.775 220 HB2 ASN 34 1HB ASN 34 -10.363 -11.258 -3.721 221 HB3 ASN 34 2HB ASN 34 -10.160 -12.360 -5.080 222 HD21 ASN 34 1HD2 ASN 34 -11.164 -14.486 -4.882 223 HD22 ASN 34 2HD2 ASN 34 -12.651 -14.624 -4.014 224 H TYR 35 H TYR 35 -7.075 -12.682 -1.777 225 HA TYR 35 HA TYR 35 -8.687 -11.769 0.503 226 HB2 TYR 35 1HB TYR 35 -7.859 -14.289 0.478 227 HB3 TYR 35 2HB TYR 35 -6.355 -13.557 1.025 228 HD1 TYR 35 2HD TYR 35 -9.955 -13.915 1.834 229 HD2 TYR 35 1HD TYR 35 -6.087 -12.869 3.265 230 HE1 TYR 35 2HE TYR 35 -10.828 -13.855 4.133 231 HE2 TYR 35 1HE TYR 35 -6.949 -12.807 5.568 232 HH TYR 35 HH TYR 35 -10.362 -13.506 6.271 233 H GLN 36 H GLN 36 -8.031 -9.695 0.594 234 HA GLN 36 HA GLN 36 -5.142 -9.218 0.900 235 HB2 GLN 36 1HB GLN 36 -7.165 -7.709 -0.718 236 HB3 GLN 36 2HB GLN 36 -5.766 -6.871 -0.059 237 HG2 GLN 36 1HG GLN 36 -4.895 -7.440 -2.060 238 HG3 GLN 36 2HG GLN 36 -4.503 -8.919 -1.185 239 HE21 GLN 36 1HE2 GLN 36 -4.446 -9.622 -3.518 240 HE22 GLN 36 2HE2 GLN 36 -5.915 -10.248 -4.177 241 H LEU 37 H LEU 37 -4.660 -8.468 2.846 242 HA LEU 37 HA LEU 37 -6.695 -6.904 4.295 243 HB2 LEU 37 1HB LEU 37 -4.618 -8.805 5.368 244 HB3 LEU 37 2HB LEU 37 -5.611 -7.751 6.373 245 HG LEU 37 HG LEU 37 -6.625 -9.987 4.618 246 HD11 LEU 37 1HD1 LEU 37 -5.416 -10.800 6.571 247 HD12 LEU 37 2HD1 LEU 37 -7.146 -11.102 6.725 248 HD13 LEU 37 3HD1 LEU 37 -6.400 -9.776 7.617 249 HD21 LEU 37 1HD2 LEU 37 -8.195 -8.102 4.819 250 HD22 LEU 37 2HD2 LEU 37 -8.101 -8.230 6.576 251 HD23 LEU 37 3HD2 LEU 37 -8.782 -9.554 5.629 252 H CYS 38 H CYS 38 -5.894 -5.267 5.754 253 HA CYS 38 HA CYS 38 -3.428 -4.042 4.742 254 HB2 CYS 38 1HB CYS 38 -4.270 -1.950 5.581 255 HB3 CYS 38 2HB CYS 38 -5.561 -2.734 4.676 256 H GLN 39 H GLN 39 -2.122 -2.807 6.364 257 HA GLN 39 HA GLN 39 -0.833 -4.306 8.155 258 HB2 GLN 39 1HB GLN 39 -0.127 -2.044 7.701 259 HB3 GLN 39 2HB GLN 39 -1.557 -1.393 8.491 260 HG2 GLN 39 1HG GLN 39 -0.655 -2.646 10.577 261 HG3 GLN 39 2HG GLN 39 0.873 -2.630 9.699 262 HE21 GLN 39 1HE2 GLN 39 -0.046 -1.268 12.183 263 HE22 GLN 39 2HE2 GLN 39 0.295 0.406 11.925 264 H ASP 40 H ASP 40 -3.530 -2.201 9.172 265 HA ASP 40 HA ASP 40 -3.746 -3.098 11.782 266 HB2 ASP 40 1HB ASP 40 -4.946 -1.134 10.903 267 HB3 ASP 40 2HB ASP 40 -5.993 -2.197 9.966 268 H CYS 41 H CYS 41 -5.938 -4.091 9.146 269 HA CYS 41 HA CYS 41 -7.324 -6.085 10.278 270 HB2 CYS 41 1HB CYS 41 -6.154 -5.836 7.535 271 HB3 CYS 41 2HB CYS 41 -6.983 -7.325 7.978 272 H PHE 42 H PHE 42 -4.065 -6.512 8.914 273 HA PHE 42 HA PHE 42 -3.800 -9.227 9.608 274 HB2 PHE 42 1HB PHE 42 -2.372 -7.879 7.979 275 HB3 PHE 42 2HB PHE 42 -1.510 -7.275 9.391 276 HD1 PHE 42 2HD PHE 42 -2.773 -10.648 8.412 277 HD2 PHE 42 1HD PHE 42 0.559 -8.248 9.534 278 HE1 PHE 42 2HE PHE 42 -1.330 -12.640 8.377 279 HE2 PHE 42 1HE PHE 42 2.007 -10.237 9.500 280 HZ PHE 42 HZ PHE 42 1.063 -12.437 8.922 281 H TRP 43 H TRP 43 -2.575 -6.300 11.226 282 HA TRP 43 HA TRP 43 -1.266 -7.383 13.357 283 HB2 TRP 43 1HB TRP 43 -2.860 -4.889 12.999 284 HB3 TRP 43 2HB TRP 43 -2.364 -5.322 14.633 285 HD1 TRP 43 HD TRP 43 -0.283 -5.658 11.379 286 HE1 TRP 43 1HE TRP 43 1.891 -4.316 11.688 287 HE3 TRP 43 3HE TRP 43 -1.227 -3.629 15.976 288 HZ2 TRP 43 2HZ TRP 43 3.053 -2.622 13.624 289 HZ3 TRP 43 3HZ TRP 43 0.468 -2.159 16.987 290 HH2 TRP 43 HH TRP 43 2.563 -1.668 15.833 291 H ARG 44 H ARG 44 -4.764 -6.870 13.074 292 HA ARG 44 HA ARG 44 -5.287 -8.002 15.671 293 HB2 ARG 44 1HB ARG 44 -7.211 -7.347 13.432 294 HB3 ARG 44 2HB ARG 44 -7.643 -7.704 15.099 295 HG2 ARG 44 1HG ARG 44 -6.056 -5.674 15.606 296 HG3 ARG 44 2HG ARG 44 -6.435 -5.252 13.935 297 HD2 ARG 44 1HD ARG 44 -8.006 -4.146 15.364 298 HD3 ARG 44 2HD ARG 44 -8.850 -5.433 14.504 299 HE ARG 44 HE ARG 44 -7.861 -6.180 17.108 300 HH11 ARG 44 2HH1 ARG 44 -10.516 -4.840 15.298 301 HH12 ARG 44 1HH1 ARG 44 -11.704 -5.240 16.494 302 HH21 ARG 44 2HH2 ARG 44 -9.416 -6.713 18.690 303 HH22 ARG 44 1HH2 ARG 44 -11.077 -6.305 18.423 304 H GLY 45 H GLY 45 -5.518 -9.049 12.306 305 HA2 GLY 45 1HA GLY 45 -5.179 -11.311 11.657 306 HA3 GLY 45 2HA GLY 45 -5.689 -11.819 13.260 307 H HIS 46 H HIS 46 -6.583 -11.698 10.087 308 HA HIS 46 HA HIS 46 -9.434 -11.924 10.792 309 HB2 HIS 46 1HB HIS 46 -8.123 -10.517 8.494 310 HB3 HIS 46 2HB HIS 46 -9.739 -11.186 8.297 311 HD1 HIS 46 1HD HIS 46 -10.838 -8.877 8.091 312 HD2 HIS 46 2HD HIS 46 -8.780 -9.441 11.656 313 HE1 HIS 46 1HE HIS 46 -11.523 -6.964 9.573 314 H ALA 47 H ALA 47 -10.656 -13.465 9.640 315 HA ALA 47 HA ALA 47 -9.641 -15.105 7.590 316 HB1 ALA 47 1HB ALA 47 -8.189 -15.818 9.537 317 HB2 ALA 47 2HB ALA 47 -9.647 -16.512 10.247 318 HB3 ALA 47 3HB ALA 47 -9.054 -17.104 8.695 319 H GLY 48 H GLY 48 -10.957 -17.383 7.743 320 HA2 GLY 48 1HA GLY 48 -13.488 -17.377 8.965 321 HA3 GLY 48 2HA GLY 48 -13.648 -16.686 7.357 322 H GLY 49 H GLY 49 -15.110 -18.782 7.553 323 HA2 GLY 49 1HA GLY 49 -14.301 -21.347 7.481 324 HA3 GLY 49 2HA GLY 49 -15.503 -20.730 6.357 325 H SER 50 H SER 50 -13.516 -18.940 5.079 326 HA SER 50 HA SER 50 -12.362 -20.954 3.308 327 HB2 SER 50 1HB SER 50 -12.856 -17.993 3.038 328 HB3 SER 50 2HB SER 50 -11.859 -18.876 1.883 329 HG SER 50 HG SER 50 -14.415 -19.840 2.532 330 H HIS 51 H HIS 51 -11.156 -17.743 4.236 331 HA HIS 51 HA HIS 51 -8.444 -18.497 4.030 332 HB2 HIS 51 1HB HIS 51 -9.182 -16.171 3.793 333 HB3 HIS 51 2HB HIS 51 -9.679 -16.147 5.482 334 HD2 HIS 51 2HD HIS 51 -7.710 -15.455 7.246 335 HE1 HIS 51 1HE HIS 51 -4.467 -15.581 4.514 336 HE2 HIS 51 2HE HIS 51 -5.180 -15.069 6.874 337 H SER 52 H SER 52 -6.853 -18.671 5.693 338 HA SER 52 HA SER 52 -7.950 -19.605 8.266 339 HB2 SER 52 1HB SER 52 -6.979 -21.410 6.814 340 HB3 SER 52 2HB SER 52 -5.419 -20.598 6.937 341 HG SER 52 HG SER 52 -6.424 -22.341 8.607 342 H ASN 53 H ASN 53 -7.055 -18.848 10.116 343 HA ASN 53 HA ASN 53 -5.725 -16.425 10.170 344 HB2 ASN 53 1HB ASN 53 -6.963 -17.554 12.073 345 HB3 ASN 53 2HB ASN 53 -5.509 -18.511 12.343 346 HD21 ASN 53 1HD2 ASN 53 -6.793 -15.244 12.273 347 HD22 ASN 53 2HD2 ASN 53 -5.623 -14.563 13.346 348 H GLN 54 H GLN 54 -4.445 -19.628 9.819 349 HA GLN 54 HA GLN 54 -1.754 -19.001 10.534 350 HB2 GLN 54 1HB GLN 54 -1.287 -21.195 10.099 351 HB3 GLN 54 2HB GLN 54 -3.031 -21.319 10.294 352 HG2 GLN 54 1HG GLN 54 -3.056 -20.904 7.718 353 HG3 GLN 54 2HG GLN 54 -1.386 -21.459 7.816 354 HE21 GLN 54 1HE2 GLN 54 -1.265 -23.494 7.221 355 HE22 GLN 54 2HE2 GLN 54 -2.366 -24.753 7.654 356 H HIS 55 H HIS 55 -3.605 -18.975 7.553 357 HA HIS 55 HA HIS 55 -1.649 -18.864 5.634 358 HB2 HIS 55 1HB HIS 55 -4.317 -17.498 5.851 359 HB3 HIS 55 2HB HIS 55 -3.281 -17.223 4.454 360 HD2 HIS 55 2HD HIS 55 -3.143 -20.850 5.655 361 HE1 HIS 55 1HE HIS 55 -5.892 -20.714 2.427 362 HE2 HIS 55 2HE HIS 55 -4.629 -22.198 4.023 363 H GLN 56 H GLN 56 0.091 -17.636 5.420 364 HA GLN 56 HA GLN 56 0.424 -15.214 6.913 365 HB2 GLN 56 1HB GLN 56 2.107 -16.821 5.043 366 HB3 GLN 56 2HB GLN 56 2.568 -15.154 5.364 367 HG2 GLN 56 1HG GLN 56 2.433 -15.760 7.829 368 HG3 GLN 56 2HG GLN 56 2.373 -17.438 7.295 369 HE21 GLN 56 1HE2 GLN 56 4.360 -14.939 8.202 370 HE22 GLN 56 2HE2 GLN 56 5.859 -15.547 7.596 371 H MET 57 H MET 57 0.999 -13.141 5.973 372 HA MET 57 HA MET 57 -0.315 -12.680 3.376 373 HB2 MET 57 1HB MET 57 -0.170 -10.633 5.578 374 HB3 MET 57 2HB MET 57 -1.195 -10.624 4.150 375 HG2 MET 57 1HG MET 57 -1.448 -12.705 6.295 376 HG3 MET 57 2HG MET 57 -2.299 -11.163 6.362 377 HE1 MET 57 1HE MET 57 -3.262 -10.245 4.187 378 HE2 MET 57 2HE MET 57 -4.207 -11.182 3.031 379 HE3 MET 57 3HE MET 57 -4.839 -10.884 4.651 380 H LYS 58 H LYS 58 1.043 -12.022 1.858 381 HA LYS 58 HA LYS 58 3.615 -10.872 2.629 382 HB2 LYS 58 1HB LYS 58 2.556 -12.275 0.231 383 HB3 LYS 58 2HB LYS 58 3.831 -11.092 -0.031 384 HG2 LYS 58 1HG LYS 58 4.944 -13.128 0.215 385 HG3 LYS 58 2HG LYS 58 5.128 -12.327 1.777 386 HD2 LYS 58 1HD LYS 58 2.892 -13.661 2.296 387 HD3 LYS 58 2HD LYS 58 3.531 -14.722 1.038 388 HE2 LYS 58 1HE LYS 58 4.264 -15.497 3.205 389 HE3 LYS 58 2HE LYS 58 5.646 -14.889 2.296 390 HZ1 LYS 58 1HZ LYS 58 5.714 -12.946 3.584 391 HZ2 LYS 58 2HZ LYS 58 5.489 -14.197 4.700 392 HZ3 LYS 58 3HZ LYS 58 4.185 -13.217 4.254 393 H GLU 59 H GLU 59 4.352 -8.884 1.914 394 HA GLU 59 HA GLU 59 2.324 -6.914 1.435 395 HB2 GLU 59 1HB GLU 59 4.584 -6.723 2.754 396 HB3 GLU 59 2HB GLU 59 5.250 -6.337 1.173 397 HG2 GLU 59 1HG GLU 59 2.839 -4.872 2.120 398 HG3 GLU 59 2HG GLU 59 4.418 -4.453 2.782 399 H TYR 60 H TYR 60 1.699 -6.032 -0.436 400 HA TYR 60 HA TYR 60 3.266 -6.664 -2.851 401 HB2 TYR 60 1HB TYR 60 0.314 -6.785 -2.355 402 HB3 TYR 60 2HB TYR 60 0.907 -6.438 -3.975 403 HD1 TYR 60 1HD TYR 60 1.763 -8.844 -1.235 404 HD2 TYR 60 2HD TYR 60 0.963 -8.261 -5.373 405 HE1 TYR 60 1HE TYR 60 2.077 -11.251 -1.629 406 HE2 TYR 60 2HE TYR 60 1.275 -10.667 -5.778 407 HH TYR 60 HH TYR 60 2.800 -12.672 -3.854 408 H THR 61 H THR 61 2.438 -5.160 -4.732 409 HA THR 61 HA THR 61 3.231 -2.542 -4.089 410 HB THR 61 HB THR 61 1.667 -3.388 -6.534 411 HG1 THR 61 1HG THR 61 3.606 -4.642 -6.165 412 HG21 THR 61 1HG2 THR 61 2.066 -0.897 -5.944 413 HG22 THR 61 2HG2 THR 61 2.448 -1.455 -7.573 414 HG23 THR 61 3HG2 THR 61 3.739 -1.225 -6.394 415 H SER 62 H SER 62 0.033 -3.576 -5.294 416 HA SER 62 HA SER 62 -1.439 -2.224 -3.307 417 HB2 SER 62 1HB SER 62 -0.388 -0.337 -4.813 418 HB3 SER 62 2HB SER 62 -1.691 -0.776 -5.917 419 HG SER 62 HG SER 62 -2.784 -0.583 -3.545 420 H TRP 63 H TRP 63 -3.766 -2.227 -3.750 421 HA TRP 63 HA TRP 63 -4.762 -3.565 -6.080 422 HB2 TRP 63 1HB TRP 63 -5.781 -5.450 -4.625 423 HB3 TRP 63 2HB TRP 63 -4.097 -5.591 -5.123 424 HD1 TRP 63 HD TRP 63 -2.455 -6.148 -3.242 425 HE1 TRP 63 1HE TRP 63 -2.483 -6.020 -0.671 426 HE3 TRP 63 3HE TRP 63 -6.973 -3.845 -2.594 427 HZ2 TRP 63 2HZ TRP 63 -4.195 -5.069 1.362 428 HZ3 TRP 63 3HZ TRP 63 -7.733 -3.362 -0.304 429 HH2 TRP 63 HH TRP 63 -6.371 -3.962 1.632 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -16.930 13.926 7.202 2 HA2 GLY 1 1HA GLY 1 -18.515 12.910 5.321 3 HA3 GLY 1 2HA GLY 1 -18.593 14.618 4.912 4 H SER 2 H SER 2 -17.678 13.889 2.857 5 HA SER 2 HA SER 2 -14.745 13.800 3.016 6 HB2 SER 2 1HB SER 2 -14.576 12.095 1.373 7 HB3 SER 2 2HB SER 2 -15.795 11.524 2.512 8 HG SER 2 HG SER 2 -16.163 12.606 -0.071 9 H SER 3 H SER 3 -13.817 14.180 0.706 10 HA SER 3 HA SER 3 -15.252 16.492 -0.411 11 HB2 SER 3 1HB SER 3 -13.133 17.190 0.420 12 HB3 SER 3 2HB SER 3 -12.313 15.808 -0.306 13 HG SER 3 HG SER 3 -13.065 18.209 -1.429 14 H GLY 4 H GLY 4 -13.166 13.775 -1.397 15 HA2 GLY 4 1HA GLY 4 -13.119 12.530 -3.325 16 HA3 GLY 4 2HA GLY 4 -14.812 12.962 -3.519 17 H SER 5 H SER 5 -12.842 12.655 -5.596 18 HA SER 5 HA SER 5 -13.416 14.953 -7.127 19 HB2 SER 5 1HB SER 5 -11.742 16.072 -5.788 20 HB3 SER 5 2HB SER 5 -10.596 14.757 -6.045 21 HG SER 5 HG SER 5 -9.989 15.813 -7.744 22 H SER 6 H SER 6 -13.141 14.545 -9.264 23 HA SER 6 HA SER 6 -12.463 11.881 -10.035 24 HB2 SER 6 1HB SER 6 -13.027 14.309 -11.755 25 HB3 SER 6 2HB SER 6 -12.975 12.639 -12.319 26 HG SER 6 HG SER 6 -14.636 12.545 -10.368 27 H GLY 7 H GLY 7 -10.288 11.588 -9.482 28 HA2 GLY 7 1HA GLY 7 -8.430 12.418 -11.512 29 HA3 GLY 7 2HA GLY 7 -8.122 13.178 -9.958 30 H VAL 8 H VAL 8 -8.747 11.102 -8.230 31 HA VAL 8 HA VAL 8 -6.413 9.728 -7.944 32 HB VAL 8 HB VAL 8 -7.704 8.007 -6.659 33 HG11 VAL 8 1HG1 VAL 8 -7.431 9.447 -4.994 34 HG12 VAL 8 2HG1 VAL 8 -7.383 10.783 -6.147 35 HG13 VAL 8 3HG1 VAL 8 -8.922 10.268 -5.455 36 HG21 VAL 8 1HG2 VAL 8 -9.731 7.904 -7.926 37 HG22 VAL 8 2HG2 VAL 8 -10.131 8.486 -6.311 38 HG23 VAL 8 3HG2 VAL 8 -10.047 9.619 -7.660 39 H PHE 9 H PHE 9 -5.375 8.242 -9.085 40 HA PHE 9 HA PHE 9 -6.745 6.853 -11.234 41 HB2 PHE 9 1HB PHE 9 -4.500 6.114 -11.902 42 HB3 PHE 9 2HB PHE 9 -4.552 7.859 -11.671 43 HD1 PHE 9 2HD PHE 9 -3.508 8.874 -9.682 44 HD2 PHE 9 1HD PHE 9 -3.131 4.724 -10.550 45 HE1 PHE 9 2HE PHE 9 -1.609 8.724 -8.124 46 HE2 PHE 9 1HE PHE 9 -1.232 4.567 -8.993 47 HZ PHE 9 HZ PHE 9 -0.469 6.569 -7.778 48 H HIS 10 H HIS 10 -4.878 6.021 -8.330 49 HA HIS 10 HA HIS 10 -6.170 3.376 -8.368 50 HB2 HIS 10 1HB HIS 10 -3.286 4.077 -7.964 51 HB3 HIS 10 2HB HIS 10 -3.955 2.664 -7.152 52 HD1 HIS 10 1HD HIS 10 -5.735 1.548 -9.383 53 HD2 HIS 10 2HD HIS 10 -1.863 2.934 -9.979 54 HE1 HIS 10 1HE HIS 10 -4.930 0.417 -11.480 55 HA PRO 11 HA PRO 11 -7.387 5.199 -4.404 56 HB2 PRO 11 1HB PRO 11 -9.506 3.539 -4.053 57 HB3 PRO 11 2HB PRO 11 -9.574 4.980 -5.074 58 HG2 PRO 11 1HG PRO 11 -9.183 2.118 -5.861 59 HG3 PRO 11 2HG PRO 11 -10.197 3.358 -6.620 60 HD2 PRO 11 1HD PRO 11 -7.771 2.661 -7.599 61 HD3 PRO 11 2HD PRO 11 -8.419 4.308 -7.737 62 H VAL 12 H VAL 12 -6.484 4.632 -2.533 63 HA VAL 12 HA VAL 12 -5.653 1.857 -2.132 64 HB VAL 12 HB VAL 12 -4.941 4.327 -0.543 65 HG11 VAL 12 1HG1 VAL 12 -4.612 1.530 0.001 66 HG12 VAL 12 2HG1 VAL 12 -3.035 2.298 -0.193 67 HG13 VAL 12 3HG1 VAL 12 -4.180 2.919 0.997 68 HG21 VAL 12 1HG2 VAL 12 -4.102 3.655 -3.077 69 HG22 VAL 12 2HG2 VAL 12 -3.253 4.719 -1.955 70 HG23 VAL 12 3HG2 VAL 12 -2.824 3.011 -2.047 71 H GLU 13 H GLU 13 -7.753 1.030 -1.643 72 HA GLU 13 HA GLU 13 -8.617 1.673 1.097 73 HB2 GLU 13 1HB GLU 13 -10.258 1.350 -1.387 74 HB3 GLU 13 2HB GLU 13 -10.947 0.914 0.171 75 HG2 GLU 13 1HG GLU 13 -11.595 3.147 -0.339 76 HG3 GLU 13 2HG GLU 13 -10.428 3.199 0.981 77 H CYS 14 H CYS 14 -9.094 -0.028 2.413 78 HA CYS 14 HA CYS 14 -8.054 -2.580 1.700 79 HB2 CYS 14 1HB CYS 14 -8.289 -1.374 4.044 80 HB3 CYS 14 2HB CYS 14 -9.825 -2.233 4.081 81 H SER 15 H SER 15 -9.516 -4.565 2.440 82 HA SER 15 HA SER 15 -11.956 -4.384 0.807 83 HB2 SER 15 1HB SER 15 -10.332 -5.989 -0.046 84 HB3 SER 15 2HB SER 15 -10.261 -6.789 1.524 85 HG SER 15 HG SER 15 -12.282 -7.568 1.232 86 H TYR 16 H TYR 16 -10.672 -5.422 3.902 87 HA TYR 16 HA TYR 16 -13.277 -6.370 4.787 88 HB2 TYR 16 1HB TYR 16 -11.278 -7.643 5.425 89 HB3 TYR 16 2HB TYR 16 -10.632 -6.229 6.251 90 HD1 TYR 16 2HD TYR 16 -12.259 -5.215 8.091 91 HD2 TYR 16 1HD TYR 16 -12.385 -9.228 6.684 92 HE1 TYR 16 2HE TYR 16 -13.403 -5.898 10.159 93 HE2 TYR 16 1HE TYR 16 -13.530 -9.922 8.748 94 HH TYR 16 HH TYR 16 -14.756 -9.078 10.546 95 H CYS 17 H CYS 17 -10.855 -4.081 6.069 96 HA CYS 17 HA CYS 17 -12.955 -2.692 7.536 97 HB2 CYS 17 1HB CYS 17 -11.207 -1.575 8.711 98 HB3 CYS 17 2HB CYS 17 -10.715 -3.259 8.562 99 H HIS 18 H HIS 18 -12.094 -2.606 4.474 100 HA HIS 18 HA HIS 18 -11.802 -0.990 2.844 101 HB2 HIS 18 1HB HIS 18 -13.770 0.618 2.894 102 HB3 HIS 18 2HB HIS 18 -14.171 -1.097 2.931 103 HD1 HIS 18 1HD HIS 18 -14.006 1.920 5.195 104 HD2 HIS 18 2HD HIS 18 -15.604 -1.915 5.129 105 HE1 HIS 18 1HE HIS 18 -15.512 1.784 7.204 106 H SER 19 H SER 19 -9.941 -0.470 4.783 107 HA SER 19 HA SER 19 -9.948 1.968 6.058 108 HB2 SER 19 1HB SER 19 -7.658 1.717 6.304 109 HB3 SER 19 2HB SER 19 -8.133 0.061 5.925 110 HG SER 19 HG SER 19 -7.736 0.955 3.619 111 H GLU 20 H GLU 20 -8.392 3.838 5.376 112 HA GLU 20 HA GLU 20 -8.906 4.544 2.566 113 HB2 GLU 20 1HB GLU 20 -9.354 6.868 3.284 114 HB3 GLU 20 2HB GLU 20 -10.538 5.728 3.906 115 HG2 GLU 20 1HG GLU 20 -8.179 6.531 5.557 116 HG3 GLU 20 2HG GLU 20 -9.614 7.551 5.468 117 H SER 21 H SER 21 -6.919 4.948 5.433 118 HA SER 21 HA SER 21 -5.050 6.775 4.670 119 HB2 SER 21 1HB SER 21 -4.823 4.237 6.257 120 HB3 SER 21 2HB SER 21 -3.381 5.196 5.920 121 HG SER 21 HG SER 21 -5.231 6.878 6.734 122 H MET 22 H MET 22 -3.823 6.999 2.932 123 HA MET 22 HA MET 22 -3.048 4.588 1.431 124 HB2 MET 22 1HB MET 22 -2.825 6.050 -0.524 125 HB3 MET 22 2HB MET 22 -4.443 6.141 0.158 126 HG2 MET 22 1HG MET 22 -3.444 8.194 1.444 127 HG3 MET 22 2HG MET 22 -2.281 8.180 0.120 128 HE1 MET 22 1HE MET 22 -5.806 7.886 1.132 129 HE2 MET 22 2HE MET 22 -6.635 9.173 0.255 130 HE3 MET 22 3HE MET 22 -6.513 7.561 -0.451 131 H MET 23 H MET 23 -1.211 4.189 2.747 132 HA MET 23 HA MET 23 1.015 6.046 2.227 133 HB2 MET 23 1HB MET 23 0.152 5.986 4.633 134 HB3 MET 23 2HB MET 23 0.800 4.353 4.710 135 HG2 MET 23 1HG MET 23 3.005 5.092 4.476 136 HG3 MET 23 2HG MET 23 2.502 6.679 3.900 137 HE1 MET 23 1HE MET 23 3.413 8.600 5.837 138 HE2 MET 23 2HE MET 23 1.828 8.499 5.069 139 HE3 MET 23 3HE MET 23 1.950 8.797 6.804 140 H GLY 24 H GLY 24 0.141 2.692 3.023 141 HA2 GLY 24 1HA GLY 24 1.323 1.329 1.047 142 HA3 GLY 24 2HA GLY 24 2.707 1.728 2.054 143 H PHE 25 H PHE 25 -0.614 0.520 2.556 144 HA PHE 25 HA PHE 25 0.537 -1.624 4.215 145 HB2 PHE 25 1HB PHE 25 -2.180 -0.488 4.787 146 HB3 PHE 25 2HB PHE 25 -1.100 -1.372 5.859 147 HD1 PHE 25 1HD PHE 25 0.930 -0.234 6.759 148 HD2 PHE 25 2HD PHE 25 -2.115 1.860 4.646 149 HE1 PHE 25 1HE PHE 25 1.756 1.892 7.682 150 HE2 PHE 25 2HE PHE 25 -1.294 3.989 5.566 151 HZ PHE 25 HZ PHE 25 0.644 4.007 7.085 152 H ARG 26 H ARG 26 0.455 -2.821 2.174 153 HA ARG 26 HA ARG 26 -2.215 -3.981 1.759 154 HB2 ARG 26 1HB ARG 26 -1.582 -4.229 -0.680 155 HB3 ARG 26 2HB ARG 26 -1.936 -2.592 -0.142 156 HG2 ARG 26 1HG ARG 26 0.891 -3.470 -0.050 157 HG3 ARG 26 2HG ARG 26 0.174 -3.181 -1.637 158 HD2 ARG 26 1HD ARG 26 -0.249 -0.934 -1.167 159 HD3 ARG 26 2HD ARG 26 -0.098 -1.175 0.573 160 HE ARG 26 HE ARG 26 2.371 -1.728 -0.194 161 HH11 ARG 26 2HH1 ARG 26 0.256 0.846 -1.206 162 HH12 ARG 26 1HH1 ARG 26 1.547 1.953 -1.534 163 HH21 ARG 26 2HH2 ARG 26 4.079 -0.279 -0.622 164 HH22 ARG 26 1HH2 ARG 26 3.722 1.312 -1.203 165 H TYR 27 H TYR 27 -2.070 -5.998 2.489 166 HA TYR 27 HA TYR 27 0.278 -7.594 1.703 167 HB2 TYR 27 1HB TYR 27 -1.245 -7.885 4.299 168 HB3 TYR 27 2HB TYR 27 0.211 -8.753 3.823 169 HD1 TYR 27 2HD TYR 27 -1.127 -5.509 4.926 170 HD2 TYR 27 1HD TYR 27 2.380 -7.737 4.010 171 HE1 TYR 27 2HE TYR 27 0.250 -3.764 5.980 172 HE2 TYR 27 1HE TYR 27 3.766 -5.999 5.062 173 HH TYR 27 HH TYR 27 3.793 -4.014 6.053 174 H ARG 28 H ARG 28 -0.254 -9.216 0.415 175 HA ARG 28 HA ARG 28 -3.024 -10.158 0.368 176 HB2 ARG 28 1HB ARG 28 -1.524 -9.450 -1.699 177 HB3 ARG 28 2HB ARG 28 -0.974 -11.116 -1.576 178 HG2 ARG 28 1HG ARG 28 -3.897 -10.664 -1.549 179 HG3 ARG 28 2HG ARG 28 -3.047 -10.386 -3.071 180 HD2 ARG 28 1HD ARG 28 -2.440 -12.877 -1.571 181 HD3 ARG 28 2HD ARG 28 -3.994 -12.771 -2.397 182 HE ARG 28 HE ARG 28 -1.888 -12.001 -4.126 183 HH11 ARG 28 2HH1 ARG 28 -3.357 -14.794 -2.656 184 HH12 ARG 28 1HH1 ARG 28 -2.875 -15.876 -3.920 185 HH21 ARG 28 2HH2 ARG 28 -1.248 -13.416 -5.798 186 HH22 ARG 28 1HH2 ARG 28 -1.674 -15.091 -5.707 187 H CYS 29 H CYS 29 -3.620 -12.168 0.956 188 HA CYS 29 HA CYS 29 -2.059 -13.711 2.652 189 HB2 CYS 29 1HB CYS 29 -4.394 -14.034 2.757 190 HB3 CYS 29 2HB CYS 29 -4.512 -14.353 1.029 191 H GLN 30 H GLN 30 -1.354 -15.978 2.328 192 HA GLN 30 HA GLN 30 0.450 -16.145 0.138 193 HB2 GLN 30 1HB GLN 30 -0.368 -18.324 2.066 194 HB3 GLN 30 2HB GLN 30 1.068 -18.314 1.051 195 HG2 GLN 30 1HG GLN 30 1.725 -16.189 2.292 196 HG3 GLN 30 2HG GLN 30 0.462 -16.616 3.445 197 HE21 GLN 30 1HE2 GLN 30 3.635 -16.702 3.055 198 HE22 GLN 30 2HE2 GLN 30 4.037 -18.140 3.924 199 H GLN 31 H GLN 31 -1.925 -18.629 1.050 200 HA GLN 31 HA GLN 31 -2.421 -19.069 -1.817 201 HB2 GLN 31 1HB GLN 31 -1.442 -20.931 -0.341 202 HB3 GLN 31 2HB GLN 31 -3.045 -21.036 0.374 203 HG2 GLN 31 1HG GLN 31 -3.046 -22.681 -1.263 204 HG3 GLN 31 2HG GLN 31 -3.894 -21.331 -2.016 205 HE21 GLN 31 1HE2 GLN 31 -3.033 -23.093 -3.724 206 HE22 GLN 31 2HE2 GLN 31 -1.603 -22.580 -4.547 207 H CYS 32 H CYS 32 -4.183 -17.941 -2.376 208 HA CYS 32 HA CYS 32 -6.737 -18.714 -1.469 209 HB2 CYS 32 1HB CYS 32 -5.497 -16.355 -0.163 210 HB3 CYS 32 2HB CYS 32 -7.174 -16.182 -0.670 211 H HIS 33 H HIS 33 -8.478 -17.431 -2.485 212 HA HIS 33 HA HIS 33 -7.807 -16.805 -5.180 213 HB2 HIS 33 1HB HIS 33 -10.046 -17.712 -4.085 214 HB3 HIS 33 2HB HIS 33 -10.437 -15.996 -4.024 215 HD1 HIS 33 1HD HIS 33 -11.104 -14.872 -6.189 216 HD2 HIS 33 2HD HIS 33 -9.733 -18.757 -6.729 217 HE1 HIS 33 1HE HIS 33 -11.624 -15.442 -8.583 218 H ASN 34 H ASN 34 -9.611 -14.742 -2.905 219 HA ASN 34 HA ASN 34 -7.940 -12.470 -3.725 220 HB2 ASN 34 1HB ASN 34 -9.881 -12.230 -5.095 221 HB3 ASN 34 2HB ASN 34 -10.957 -12.593 -3.748 222 HD21 ASN 34 1HD2 ASN 34 -8.682 -10.236 -5.016 223 HD22 ASN 34 2HD2 ASN 34 -9.347 -8.874 -4.187 224 H TYR 35 H TYR 35 -6.904 -12.527 -1.722 225 HA TYR 35 HA TYR 35 -8.542 -11.532 0.505 226 HB2 TYR 35 1HB TYR 35 -7.797 -14.053 0.597 227 HB3 TYR 35 2HB TYR 35 -6.247 -13.368 1.074 228 HD1 TYR 35 2HD TYR 35 -9.847 -13.461 1.982 229 HD2 TYR 35 1HD TYR 35 -5.874 -12.676 3.286 230 HE1 TYR 35 2HE TYR 35 -10.652 -13.270 4.298 231 HE2 TYR 35 1HE TYR 35 -6.667 -12.485 5.607 232 HH TYR 35 HH TYR 35 -9.266 -11.834 6.615 233 H GLN 36 H GLN 36 -7.857 -9.467 0.556 234 HA GLN 36 HA GLN 36 -4.963 -9.019 0.869 235 HB2 GLN 36 1HB GLN 36 -6.974 -7.498 -0.756 236 HB3 GLN 36 2HB GLN 36 -5.550 -6.683 -0.123 237 HG2 GLN 36 1HG GLN 36 -4.737 -7.294 -2.142 238 HG3 GLN 36 2HG GLN 36 -4.327 -8.749 -1.234 239 HE21 GLN 36 1HE2 GLN 36 -7.179 -7.437 -2.899 240 HE22 GLN 36 2HE2 GLN 36 -7.552 -8.886 -3.762 241 H LEU 37 H LEU 37 -4.598 -8.486 2.914 242 HA LEU 37 HA LEU 37 -6.533 -6.727 4.273 243 HB2 LEU 37 1HB LEU 37 -4.667 -8.785 5.442 244 HB3 LEU 37 2HB LEU 37 -5.673 -7.688 6.386 245 HG LEU 37 HG LEU 37 -6.631 -9.892 4.561 246 HD11 LEU 37 1HD1 LEU 37 -7.445 -10.914 6.603 247 HD12 LEU 37 2HD1 LEU 37 -6.812 -9.571 7.554 248 HD13 LEU 37 3HD1 LEU 37 -5.704 -10.649 6.704 249 HD21 LEU 37 1HD2 LEU 37 -8.230 -7.968 6.247 250 HD22 LEU 37 2HD2 LEU 37 -8.870 -9.305 5.291 251 HD23 LEU 37 3HD2 LEU 37 -8.109 -7.931 4.488 252 H CYS 38 H CYS 38 -5.688 -5.139 5.727 253 HA CYS 38 HA CYS 38 -3.074 -4.140 4.866 254 HB2 CYS 38 1HB CYS 38 -3.772 -1.994 5.749 255 HB3 CYS 38 2HB CYS 38 -5.041 -2.632 4.709 256 H GLN 39 H GLN 39 -1.804 -2.957 6.607 257 HA GLN 39 HA GLN 39 -0.729 -4.629 8.432 258 HB2 GLN 39 1HB GLN 39 0.277 -2.491 8.011 259 HB3 GLN 39 2HB GLN 39 -1.115 -1.645 8.675 260 HG2 GLN 39 1HG GLN 39 -0.580 -2.260 10.873 261 HG3 GLN 39 2HG GLN 39 0.555 -3.499 10.337 262 HE21 GLN 39 1HE2 GLN 39 0.059 -0.138 10.951 263 HE22 GLN 39 2HE2 GLN 39 1.703 0.358 10.760 264 H ASP 40 H ASP 40 -3.348 -2.329 9.172 265 HA ASP 40 HA ASP 40 -3.744 -3.073 11.829 266 HB2 ASP 40 1HB ASP 40 -4.757 -1.112 10.441 267 HB3 ASP 40 2HB ASP 40 -6.044 -2.259 10.081 268 H CYS 41 H CYS 41 -5.662 -4.102 8.999 269 HA CYS 41 HA CYS 41 -7.322 -5.921 10.161 270 HB2 CYS 41 1HB CYS 41 -6.009 -5.826 7.474 271 HB3 CYS 41 2HB CYS 41 -6.958 -7.242 7.912 272 H PHE 42 H PHE 42 -4.068 -6.644 8.903 273 HA PHE 42 HA PHE 42 -4.013 -9.333 9.701 274 HB2 PHE 42 1HB PHE 42 -2.419 -8.046 8.121 275 HB3 PHE 42 2HB PHE 42 -1.548 -7.612 9.588 276 HD1 PHE 42 2HD PHE 42 -3.119 -10.741 8.288 277 HD2 PHE 42 1HD PHE 42 0.352 -8.852 9.868 278 HE1 PHE 42 2HE PHE 42 -1.917 -12.886 8.202 279 HE2 PHE 42 1HE PHE 42 1.560 -10.993 9.784 280 HZ PHE 42 HZ PHE 42 0.426 -13.014 8.952 281 H TRP 43 H TRP 43 -2.506 -6.504 11.267 282 HA TRP 43 HA TRP 43 -1.431 -7.625 13.489 283 HB2 TRP 43 1HB TRP 43 -2.753 -4.998 12.995 284 HB3 TRP 43 2HB TRP 43 -2.354 -5.423 14.657 285 HD1 TRP 43 HD TRP 43 -0.204 -6.102 11.507 286 HE1 TRP 43 1HE TRP 43 2.078 -4.962 11.843 287 HE3 TRP 43 3HE TRP 43 -1.112 -3.767 15.964 288 HZ2 TRP 43 2HZ TRP 43 3.329 -3.293 13.746 289 HZ3 TRP 43 3HZ TRP 43 0.680 -2.418 16.975 290 HH2 TRP 43 HH TRP 43 2.854 -2.188 15.888 291 H ARG 44 H ARG 44 -4.848 -6.865 12.990 292 HA ARG 44 HA ARG 44 -5.618 -7.728 15.619 293 HB2 ARG 44 1HB ARG 44 -7.310 -7.194 13.170 294 HB3 ARG 44 2HB ARG 44 -7.918 -7.422 14.804 295 HG2 ARG 44 1HG ARG 44 -6.037 -5.213 14.011 296 HG3 ARG 44 2HG ARG 44 -7.794 -5.050 14.056 297 HD2 ARG 44 1HD ARG 44 -6.316 -6.049 16.455 298 HD3 ARG 44 2HD ARG 44 -6.369 -4.321 16.109 299 HE ARG 44 HE ARG 44 -8.943 -4.887 16.004 300 HH11 ARG 44 2HH1 ARG 44 -6.540 -5.973 18.278 301 HH12 ARG 44 1HH1 ARG 44 -7.662 -6.129 19.588 302 HH21 ARG 44 2HH2 ARG 44 -10.430 -5.089 17.722 303 HH22 ARG 44 1HH2 ARG 44 -9.875 -5.627 19.271 304 H GLY 45 H GLY 45 -5.621 -9.115 12.375 305 HA2 GLY 45 1HA GLY 45 -5.381 -11.431 11.954 306 HA3 GLY 45 2HA GLY 45 -5.972 -11.762 13.575 307 H HIS 46 H HIS 46 -6.798 -11.353 10.270 308 HA HIS 46 HA HIS 46 -9.647 -11.726 10.923 309 HB2 HIS 46 1HB HIS 46 -8.351 -10.435 8.520 310 HB3 HIS 46 2HB HIS 46 -10.063 -10.839 8.596 311 HD1 HIS 46 1HD HIS 46 -10.506 -8.245 8.317 312 HD2 HIS 46 2HD HIS 46 -8.629 -9.362 11.852 313 HE1 HIS 46 1HE HIS 46 -10.718 -6.261 9.847 314 H ALA 47 H ALA 47 -10.839 -13.261 9.755 315 HA ALA 47 HA ALA 47 -9.794 -14.847 7.671 316 HB1 ALA 47 1HB ALA 47 -8.619 -16.420 8.698 317 HB2 ALA 47 2HB ALA 47 -8.834 -15.564 10.225 318 HB3 ALA 47 3HB ALA 47 -9.991 -16.803 9.739 319 H GLY 48 H GLY 48 -11.117 -17.103 7.702 320 HA2 GLY 48 1HA GLY 48 -13.656 -17.165 8.903 321 HA3 GLY 48 2HA GLY 48 -13.808 -16.386 7.335 322 H GLY 49 H GLY 49 -15.266 -18.499 7.422 323 HA2 GLY 49 1HA GLY 49 -14.420 -21.051 7.199 324 HA3 GLY 49 2HA GLY 49 -15.659 -20.390 6.143 325 H SER 50 H SER 50 -13.817 -18.513 4.860 326 HA SER 50 HA SER 50 -12.684 -20.384 2.946 327 HB2 SER 50 1HB SER 50 -13.112 -17.397 2.928 328 HB3 SER 50 2HB SER 50 -12.192 -18.219 1.668 329 HG SER 50 HG SER 50 -14.321 -19.621 1.809 330 H HIS 51 H HIS 51 -11.438 -17.317 4.267 331 HA HIS 51 HA HIS 51 -8.722 -18.178 3.931 332 HB2 HIS 51 1HB HIS 51 -9.311 -15.830 3.632 333 HB3 HIS 51 2HB HIS 51 -9.872 -15.736 5.299 334 HD2 HIS 51 2HD HIS 51 -7.897 -15.325 7.192 335 HE1 HIS 51 1HE HIS 51 -4.637 -15.280 4.478 336 HE2 HIS 51 2HE HIS 51 -5.358 -14.952 6.869 337 H SER 52 H SER 52 -7.274 -18.844 5.451 338 HA SER 52 HA SER 52 -8.399 -19.564 8.065 339 HB2 SER 52 1HB SER 52 -7.370 -21.328 6.535 340 HB3 SER 52 2HB SER 52 -5.812 -20.583 6.889 341 HG SER 52 HG SER 52 -6.329 -20.949 9.147 342 H ASN 53 H ASN 53 -7.604 -18.767 9.927 343 HA ASN 53 HA ASN 53 -6.165 -16.405 10.011 344 HB2 ASN 53 1HB ASN 53 -6.026 -16.707 12.389 345 HB3 ASN 53 2HB ASN 53 -7.572 -17.365 11.859 346 HD21 ASN 53 1HD2 ASN 53 -4.978 -17.905 13.783 347 HD22 ASN 53 2HD2 ASN 53 -5.079 -19.623 13.936 348 H GLN 54 H GLN 54 -5.028 -19.658 9.757 349 HA GLN 54 HA GLN 54 -2.320 -19.012 10.547 350 HB2 GLN 54 1HB GLN 54 -3.648 -21.507 9.510 351 HB3 GLN 54 2HB GLN 54 -1.904 -21.401 9.714 352 HG2 GLN 54 1HG GLN 54 -2.209 -20.930 12.090 353 HG3 GLN 54 2HG GLN 54 -3.957 -21.034 11.885 354 HE21 GLN 54 1HE2 GLN 54 -1.321 -22.677 12.893 355 HE22 GLN 54 2HE2 GLN 54 -1.884 -24.298 12.692 356 H HIS 55 H HIS 55 -3.612 -17.664 8.227 357 HA HIS 55 HA HIS 55 -1.817 -18.549 6.072 358 HB2 HIS 55 1HB HIS 55 -4.415 -17.029 6.055 359 HB3 HIS 55 2HB HIS 55 -3.333 -17.010 4.666 360 HD2 HIS 55 2HD HIS 55 -3.309 -20.469 6.192 361 HE1 HIS 55 1HE HIS 55 -6.254 -20.544 3.139 362 HE2 HIS 55 2HE HIS 55 -4.930 -21.914 4.786 363 H GLN 56 H GLN 56 -0.037 -17.401 5.769 364 HA GLN 56 HA GLN 56 0.394 -14.901 7.079 365 HB2 GLN 56 1HB GLN 56 2.124 -16.721 6.519 366 HB3 GLN 56 2HB GLN 56 2.137 -16.029 4.902 367 HG2 GLN 56 1HG GLN 56 3.955 -15.103 6.123 368 HG3 GLN 56 2HG GLN 56 2.743 -13.842 5.905 369 HE21 GLN 56 1HE2 GLN 56 3.275 -12.607 7.637 370 HE22 GLN 56 2HE2 GLN 56 3.111 -13.125 9.276 371 H MET 57 H MET 57 1.085 -12.923 5.974 372 HA MET 57 HA MET 57 -0.183 -12.583 3.340 373 HB2 MET 57 1HB MET 57 -0.215 -10.419 5.428 374 HB3 MET 57 2HB MET 57 -1.192 -10.552 3.972 375 HG2 MET 57 1HG MET 57 -1.443 -12.572 6.160 376 HG3 MET 57 2HG MET 57 -2.268 -11.019 6.266 377 HE1 MET 57 1HE MET 57 -4.516 -10.963 3.187 378 HE2 MET 57 2HE MET 57 -4.844 -10.720 4.903 379 HE3 MET 57 3HE MET 57 -3.382 -10.048 4.181 380 H LYS 58 H LYS 58 1.158 -11.805 1.858 381 HA LYS 58 HA LYS 58 3.661 -10.557 2.745 382 HB2 LYS 58 1HB LYS 58 2.861 -11.969 0.209 383 HB3 LYS 58 2HB LYS 58 4.318 -10.988 0.299 384 HG2 LYS 58 1HG LYS 58 5.240 -12.979 0.820 385 HG3 LYS 58 2HG LYS 58 4.722 -12.520 2.443 386 HD2 LYS 58 1HD LYS 58 3.946 -14.705 2.228 387 HD3 LYS 58 2HD LYS 58 2.525 -13.730 1.845 388 HE2 LYS 58 1HE LYS 58 2.561 -14.299 -0.363 389 HE3 LYS 58 2HE LYS 58 4.312 -14.500 -0.395 390 HZ1 LYS 58 1HZ LYS 58 3.332 -16.452 1.302 391 HZ2 LYS 58 2HZ LYS 58 3.976 -16.669 -0.247 392 HZ3 LYS 58 3HZ LYS 58 2.309 -16.463 -0.046 393 H GLU 59 H GLU 59 4.375 -8.601 1.895 394 HA GLU 59 HA GLU 59 2.350 -6.715 1.267 395 HB2 GLU 59 1HB GLU 59 4.274 -5.152 0.913 396 HB3 GLU 59 2HB GLU 59 4.277 -5.965 2.472 397 HG2 GLU 59 1HG GLU 59 6.102 -7.253 1.957 398 HG3 GLU 59 2HG GLU 59 5.816 -7.155 0.220 399 H TYR 60 H TYR 60 1.602 -6.008 -0.635 400 HA TYR 60 HA TYR 60 3.131 -6.385 -3.073 401 HB2 TYR 60 1HB TYR 60 0.457 -7.716 -2.618 402 HB3 TYR 60 2HB TYR 60 1.180 -7.500 -4.208 403 HD1 TYR 60 2HD TYR 60 3.929 -8.192 -3.922 404 HD2 TYR 60 1HD TYR 60 0.558 -9.934 -1.998 405 HE1 TYR 60 2HE TYR 60 5.180 -10.291 -3.643 406 HE2 TYR 60 1HE TYR 60 1.800 -12.037 -1.711 407 HH TYR 60 HH TYR 60 4.458 -12.842 -3.363 408 H THR 61 H THR 61 3.103 -4.371 -3.826 409 HA THR 61 HA THR 61 0.987 -2.529 -3.340 410 HB THR 61 HB THR 61 3.193 -2.288 -5.393 411 HG1 THR 61 1HG THR 61 3.335 -2.367 -2.714 412 HG21 THR 61 1HG2 THR 61 2.618 0.202 -4.324 413 HG22 THR 61 2HG2 THR 61 1.034 -0.550 -4.516 414 HG23 THR 61 3HG2 THR 61 2.112 -0.397 -5.903 415 H SER 62 H SER 62 -0.786 -3.861 -4.177 416 HA SER 62 HA SER 62 -1.153 -3.401 -7.055 417 HB2 SER 62 1HB SER 62 -0.610 -5.871 -6.256 418 HB3 SER 62 2HB SER 62 -2.325 -5.870 -5.847 419 HG SER 62 HG SER 62 -2.140 -6.573 -7.944 420 H TRP 63 H TRP 63 -2.063 -1.980 -4.647 421 HA TRP 63 HA TRP 63 -4.599 -2.412 -3.791 422 HB2 TRP 63 1HB TRP 63 -3.047 0.057 -4.377 423 HB3 TRP 63 2HB TRP 63 -4.776 0.242 -4.095 424 HD1 TRP 63 HD TRP 63 -1.853 0.703 -2.211 425 HE1 TRP 63 1HE TRP 63 -2.148 0.168 0.289 426 HE3 TRP 63 3HE TRP 63 -6.165 -2.032 -2.469 427 HZ2 TRP 63 2HZ TRP 63 -3.968 -1.228 1.934 428 HZ3 TRP 63 3HZ TRP 63 -7.117 -2.931 -0.386 429 HH2 TRP 63 HH TRP 63 -6.040 -2.537 1.769 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -16.870 -5.315 -14.183 2 HA2 GLY 1 1HA GLY 1 -17.427 -4.246 -16.158 3 HA3 GLY 1 2HA GLY 1 -17.448 -2.840 -15.104 4 H SER 2 H SER 2 -15.958 -1.274 -15.382 5 HA SER 2 HA SER 2 -13.603 -1.830 -17.027 6 HB2 SER 2 1HB SER 2 -15.369 -1.008 -18.563 7 HB3 SER 2 2HB SER 2 -15.506 0.458 -17.592 8 HG SER 2 HG SER 2 -13.011 -0.322 -18.632 9 H SER 3 H SER 3 -11.886 -1.115 -15.973 10 HA SER 3 HA SER 3 -11.863 1.510 -14.767 11 HB2 SER 3 1HB SER 3 -11.146 0.710 -12.543 12 HB3 SER 3 2HB SER 3 -12.779 0.171 -12.932 13 HG SER 3 HG SER 3 -10.401 -1.364 -13.174 14 H GLY 4 H GLY 4 -9.982 2.397 -15.290 15 HA2 GLY 4 1HA GLY 4 -7.460 1.554 -14.756 16 HA3 GLY 4 2HA GLY 4 -7.820 0.766 -16.285 17 H SER 5 H SER 5 -6.836 3.644 -14.756 18 HA SER 5 HA SER 5 -6.494 4.916 -17.358 19 HB2 SER 5 1HB SER 5 -7.394 7.071 -16.524 20 HB3 SER 5 2HB SER 5 -8.628 5.813 -16.587 21 HG SER 5 HG SER 5 -8.929 6.212 -14.557 22 H SER 6 H SER 6 -4.977 6.708 -17.307 23 HA SER 6 HA SER 6 -2.728 6.141 -15.671 24 HB2 SER 6 1HB SER 6 -3.261 8.547 -17.431 25 HB3 SER 6 2HB SER 6 -1.692 8.080 -16.775 26 HG SER 6 HG SER 6 -3.267 6.733 -18.699 27 H GLY 7 H GLY 7 -1.568 8.163 -14.624 28 HA2 GLY 7 1HA GLY 7 -2.613 10.321 -13.480 29 HA3 GLY 7 2HA GLY 7 -3.387 9.061 -12.530 30 H VAL 8 H VAL 8 -2.223 10.239 -10.780 31 HA VAL 8 HA VAL 8 0.533 9.221 -10.528 32 HB VAL 8 HB VAL 8 1.024 11.147 -9.066 33 HG11 VAL 8 1HG1 VAL 8 0.655 11.171 -11.892 34 HG12 VAL 8 2HG1 VAL 8 0.286 12.775 -11.254 35 HG13 VAL 8 3HG1 VAL 8 1.851 12.032 -10.924 36 HG21 VAL 8 1HG2 VAL 8 -0.699 13.103 -9.443 37 HG22 VAL 8 2HG2 VAL 8 -1.830 11.766 -9.649 38 HG23 VAL 8 3HG2 VAL 8 -0.923 11.931 -8.145 39 H PHE 9 H PHE 9 -2.440 10.073 -8.805 40 HA PHE 9 HA PHE 9 -1.608 8.966 -6.314 41 HB2 PHE 9 1HB PHE 9 -4.321 9.737 -7.395 42 HB3 PHE 9 2HB PHE 9 -4.074 9.130 -5.761 43 HD1 PHE 9 2HD PHE 9 -1.991 10.410 -4.553 44 HD2 PHE 9 1HD PHE 9 -4.533 12.002 -7.573 45 HE1 PHE 9 2HE PHE 9 -1.469 12.688 -3.786 46 HE2 PHE 9 1HE PHE 9 -4.015 14.284 -6.811 47 HZ PHE 9 HZ PHE 9 -2.482 14.629 -4.914 48 H HIS 10 H HIS 10 -2.214 7.028 -5.339 49 HA HIS 10 HA HIS 10 -3.150 4.950 -7.207 50 HB2 HIS 10 1HB HIS 10 -1.265 4.726 -4.854 51 HB3 HIS 10 2HB HIS 10 -1.892 3.347 -5.752 52 HD1 HIS 10 1HD HIS 10 0.340 6.359 -6.204 53 HD2 HIS 10 2HD HIS 10 -0.550 2.757 -8.073 54 HE1 HIS 10 1HE HIS 10 2.052 6.107 -8.028 55 HA PRO 11 HA PRO 11 -6.624 4.241 -4.610 56 HB2 PRO 11 1HB PRO 11 -7.101 1.628 -5.170 57 HB3 PRO 11 2HB PRO 11 -7.450 2.933 -6.309 58 HG2 PRO 11 1HG PRO 11 -5.097 1.086 -6.208 59 HG3 PRO 11 2HG PRO 11 -6.036 1.625 -7.612 60 HD2 PRO 11 1HD PRO 11 -3.639 2.704 -6.961 61 HD3 PRO 11 2HD PRO 11 -4.931 3.645 -7.733 62 H VAL 12 H VAL 12 -5.565 4.485 -2.573 63 HA VAL 12 HA VAL 12 -4.402 2.112 -1.349 64 HB VAL 12 HB VAL 12 -4.795 4.830 -0.098 65 HG11 VAL 12 1HG1 VAL 12 -4.107 2.450 1.066 66 HG12 VAL 12 2HG1 VAL 12 -2.535 3.173 0.723 67 HG13 VAL 12 3HG1 VAL 12 -3.715 4.049 1.699 68 HG21 VAL 12 1HG2 VAL 12 -3.364 5.501 -1.709 69 HG22 VAL 12 2HG2 VAL 12 -2.161 4.739 -0.668 70 HG23 VAL 12 3HG2 VAL 12 -2.811 3.861 -2.052 71 H GLU 13 H GLU 13 -6.405 0.892 -1.353 72 HA GLU 13 HA GLU 13 -8.009 1.495 1.023 73 HB2 GLU 13 1HB GLU 13 -9.059 0.960 -1.746 74 HB3 GLU 13 2HB GLU 13 -10.031 0.639 -0.317 75 HG2 GLU 13 1HG GLU 13 -10.692 2.759 -1.004 76 HG3 GLU 13 2HG GLU 13 -9.579 3.061 0.329 77 H CYS 14 H CYS 14 -8.977 -0.331 2.010 78 HA CYS 14 HA CYS 14 -7.486 -2.777 1.561 79 HB2 CYS 14 1HB CYS 14 -8.142 -1.660 3.844 80 HB3 CYS 14 2HB CYS 14 -9.661 -2.517 3.605 81 H SER 15 H SER 15 -8.910 -4.860 1.978 82 HA SER 15 HA SER 15 -10.878 -4.871 -0.175 83 HB2 SER 15 1HB SER 15 -8.914 -6.591 0.226 84 HB3 SER 15 2HB SER 15 -10.086 -7.347 1.306 85 HG SER 15 HG SER 15 -11.554 -7.250 -0.561 86 H TYR 16 H TYR 16 -10.619 -5.974 3.199 87 HA TYR 16 HA TYR 16 -13.490 -6.385 3.339 88 HB2 TYR 16 1HB TYR 16 -11.938 -7.977 4.426 89 HB3 TYR 16 2HB TYR 16 -11.383 -6.689 5.490 90 HD1 TYR 16 2HD TYR 16 -12.873 -5.792 7.232 91 HD2 TYR 16 1HD TYR 16 -14.043 -9.075 4.792 92 HE1 TYR 16 2HE TYR 16 -14.669 -6.327 8.824 93 HE2 TYR 16 1HE TYR 16 -15.843 -9.619 6.376 94 HH TYR 16 HH TYR 16 -17.222 -8.124 8.178 95 H CYS 17 H CYS 17 -11.280 -4.764 5.611 96 HA CYS 17 HA CYS 17 -13.285 -3.056 6.633 97 HB2 CYS 17 1HB CYS 17 -11.627 -2.156 8.005 98 HB3 CYS 17 2HB CYS 17 -11.027 -3.780 7.685 99 H HIS 18 H HIS 18 -11.495 -2.940 3.767 100 HA HIS 18 HA HIS 18 -10.934 -1.230 2.310 101 HB2 HIS 18 1HB HIS 18 -13.000 -0.088 1.507 102 HB3 HIS 18 2HB HIS 18 -13.173 -1.836 1.638 103 HD1 HIS 18 1HD HIS 18 -14.022 1.275 3.649 104 HD2 HIS 18 2HD HIS 18 -15.344 -2.620 3.062 105 HE1 HIS 18 1HE HIS 18 -16.154 1.081 4.970 106 H SER 19 H SER 19 -9.816 -0.376 4.516 107 HA SER 19 HA SER 19 -10.856 2.045 5.583 108 HB2 SER 19 1HB SER 19 -9.043 0.388 6.530 109 HB3 SER 19 2HB SER 19 -7.926 1.424 5.642 110 HG SER 19 HG SER 19 -8.042 2.579 7.406 111 H GLU 20 H GLU 20 -9.116 3.988 5.562 112 HA GLU 20 HA GLU 20 -8.415 4.527 2.758 113 HB2 GLU 20 1HB GLU 20 -9.272 6.797 2.947 114 HB3 GLU 20 2HB GLU 20 -10.551 5.635 3.271 115 HG2 GLU 20 1HG GLU 20 -10.543 6.092 5.565 116 HG3 GLU 20 2HG GLU 20 -8.978 6.899 5.485 117 H SER 21 H SER 21 -7.820 5.045 6.153 118 HA SER 21 HA SER 21 -6.031 6.996 6.410 119 HB2 SER 21 1HB SER 21 -4.977 5.808 8.174 120 HB3 SER 21 2HB SER 21 -6.630 5.194 8.119 121 HG SER 21 HG SER 21 -4.403 3.953 6.869 122 H MET 22 H MET 22 -3.784 7.323 6.148 123 HA MET 22 HA MET 22 -2.670 5.859 3.862 124 HB2 MET 22 1HB MET 22 -2.966 8.457 3.978 125 HB3 MET 22 2HB MET 22 -1.497 8.396 4.942 126 HG2 MET 22 1HG MET 22 -0.529 8.654 2.929 127 HG3 MET 22 2HG MET 22 -0.706 6.902 2.880 128 HE1 MET 22 1HE MET 22 -4.033 6.572 2.091 129 HE2 MET 22 2HE MET 22 -3.455 6.170 0.473 130 HE3 MET 22 3HE MET 22 -2.529 5.671 1.890 131 H MET 23 H MET 23 -2.513 4.416 6.133 132 HA MET 23 HA MET 23 0.345 4.587 6.810 133 HB2 MET 23 1HB MET 23 -0.196 3.784 9.085 134 HB3 MET 23 2HB MET 23 -0.898 5.360 8.743 135 HG2 MET 23 1HG MET 23 -3.060 4.473 8.534 136 HG3 MET 23 2HG MET 23 -2.458 2.821 8.417 137 HE1 MET 23 1HE MET 23 -4.839 3.213 10.919 138 HE2 MET 23 2HE MET 23 -4.308 4.641 11.807 139 HE3 MET 23 3HE MET 23 -4.506 4.714 10.055 140 H GLY 24 H GLY 24 -2.525 2.532 6.545 141 HA2 GLY 24 1HA GLY 24 -1.312 0.051 6.966 142 HA3 GLY 24 2HA GLY 24 -2.755 0.316 5.999 143 H PHE 25 H PHE 25 -1.611 -1.595 4.912 144 HA PHE 25 HA PHE 25 -0.335 -0.566 2.532 145 HB2 PHE 25 1HB PHE 25 1.105 -2.388 4.452 146 HB3 PHE 25 2HB PHE 25 1.525 -2.319 2.744 147 HD1 PHE 25 1HD PHE 25 1.281 0.529 2.153 148 HD2 PHE 25 2HD PHE 25 2.881 -1.430 5.577 149 HE1 PHE 25 1HE PHE 25 2.725 2.474 2.587 150 HE2 PHE 25 2HE PHE 25 4.327 0.512 6.016 151 HZ PHE 25 HZ PHE 25 4.250 2.467 4.521 152 H ARG 26 H ARG 26 0.026 -2.346 0.913 153 HA ARG 26 HA ARG 26 -2.329 -4.000 0.834 154 HB2 ARG 26 1HB ARG 26 -1.469 -2.837 -1.175 155 HB3 ARG 26 2HB ARG 26 -0.021 -3.833 -1.112 156 HG2 ARG 26 1HG ARG 26 -1.482 -4.734 -2.765 157 HG3 ARG 26 2HG ARG 26 -1.461 -5.839 -1.389 158 HD2 ARG 26 1HD ARG 26 -3.614 -5.343 -0.783 159 HD3 ARG 26 2HD ARG 26 -3.548 -3.722 -1.471 160 HE ARG 26 HE ARG 26 -4.355 -6.133 -2.800 161 HH11 ARG 26 2HH1 ARG 26 -3.026 -2.945 -3.238 162 HH12 ARG 26 1HH1 ARG 26 -3.562 -2.805 -4.880 163 HH21 ARG 26 2HH2 ARG 26 -5.066 -5.961 -4.960 164 HH22 ARG 26 1HH2 ARG 26 -4.723 -4.521 -5.858 165 H TYR 27 H TYR 27 -2.344 -5.794 2.035 166 HA TYR 27 HA TYR 27 0.024 -7.546 1.929 167 HB2 TYR 27 1HB TYR 27 -1.958 -7.197 4.186 168 HB3 TYR 27 2HB TYR 27 -0.664 -8.389 4.160 169 HD1 TYR 27 1HD TYR 27 1.722 -7.208 3.501 170 HD2 TYR 27 2HD TYR 27 -1.547 -5.353 5.493 171 HE1 TYR 27 1HE TYR 27 3.263 -5.562 4.484 172 HE2 TYR 27 2HE TYR 27 -0.016 -3.702 6.482 173 HH TYR 27 HH TYR 27 2.091 -3.042 6.698 174 H ARG 28 H ARG 28 -0.524 -8.962 0.357 175 HA ARG 28 HA ARG 28 -3.193 -10.144 0.349 176 HB2 ARG 28 1HB ARG 28 -1.965 -9.310 -1.749 177 HB3 ARG 28 2HB ARG 28 -0.979 -10.758 -1.595 178 HG2 ARG 28 1HG ARG 28 -3.027 -12.128 -1.726 179 HG3 ARG 28 2HG ARG 28 -3.962 -10.653 -1.980 180 HD2 ARG 28 1HD ARG 28 -3.629 -11.327 -4.148 181 HD3 ARG 28 2HD ARG 28 -2.240 -10.266 -3.917 182 HE ARG 28 HE ARG 28 -1.340 -12.741 -3.198 183 HH11 ARG 28 2HH1 ARG 28 -2.828 -11.389 -6.040 184 HH12 ARG 28 1HH1 ARG 28 -2.037 -12.477 -7.131 185 HH21 ARG 28 2HH2 ARG 28 -0.293 -14.180 -4.625 186 HH22 ARG 28 1HH2 ARG 28 -0.596 -14.065 -6.325 187 H CYS 29 H CYS 29 -3.603 -12.027 1.288 188 HA CYS 29 HA CYS 29 -1.957 -13.488 2.863 189 HB2 CYS 29 1HB CYS 29 -4.265 -14.008 2.910 190 HB3 CYS 29 2HB CYS 29 -4.298 -14.382 1.190 191 H GLN 30 H GLN 30 -1.057 -15.695 2.578 192 HA GLN 30 HA GLN 30 0.816 -15.718 0.440 193 HB2 GLN 30 1HB GLN 30 0.113 -17.707 2.589 194 HB3 GLN 30 2HB GLN 30 1.328 -18.051 1.365 195 HG2 GLN 30 1HG GLN 30 2.292 -15.733 2.163 196 HG3 GLN 30 2HG GLN 30 1.401 -16.134 3.630 197 HE21 GLN 30 1HE2 GLN 30 4.309 -16.383 2.123 198 HE22 GLN 30 2HE2 GLN 30 4.968 -17.728 2.984 199 H GLN 31 H GLN 31 -1.376 -18.385 1.294 200 HA GLN 31 HA GLN 31 -1.738 -18.881 -1.583 201 HB2 GLN 31 1HB GLN 31 -0.700 -20.636 0.045 202 HB3 GLN 31 2HB GLN 31 -2.366 -20.900 0.542 203 HG2 GLN 31 1HG GLN 31 -1.602 -22.489 -1.172 204 HG3 GLN 31 2HG GLN 31 -2.989 -21.531 -1.687 205 HE21 GLN 31 1HE2 GLN 31 0.319 -22.294 -2.229 206 HE22 GLN 31 2HE2 GLN 31 0.526 -21.361 -3.668 207 H CYS 32 H CYS 32 -3.558 -17.893 -2.218 208 HA CYS 32 HA CYS 32 -6.078 -18.847 -1.382 209 HB2 CYS 32 1HB CYS 32 -5.066 -16.370 -0.097 210 HB3 CYS 32 2HB CYS 32 -6.735 -16.343 -0.656 211 H HIS 33 H HIS 33 -7.873 -17.730 -2.489 212 HA HIS 33 HA HIS 33 -7.132 -17.073 -5.167 213 HB2 HIS 33 1HB HIS 33 -9.788 -17.080 -3.731 214 HB3 HIS 33 2HB HIS 33 -9.618 -16.681 -5.438 215 HD1 HIS 33 1HD HIS 33 -10.038 -19.492 -3.172 216 HD2 HIS 33 2HD HIS 33 -8.545 -18.913 -7.005 217 HE1 HIS 33 1HE HIS 33 -9.970 -21.777 -4.219 218 H ASN 34 H ASN 34 -9.236 -15.217 -2.969 219 HA ASN 34 HA ASN 34 -7.819 -12.774 -3.775 220 HB2 ASN 34 1HB ASN 34 -10.826 -13.121 -3.706 221 HB3 ASN 34 2HB ASN 34 -9.987 -11.595 -3.973 222 HD21 ASN 34 1HD2 ASN 34 -8.121 -12.019 -5.728 223 HD22 ASN 34 2HD2 ASN 34 -8.730 -12.689 -7.199 224 H TYR 35 H TYR 35 -6.806 -12.837 -1.724 225 HA TYR 35 HA TYR 35 -8.559 -11.932 0.455 226 HB2 TYR 35 1HB TYR 35 -7.615 -14.405 0.549 227 HB3 TYR 35 2HB TYR 35 -6.166 -13.589 1.123 228 HD1 TYR 35 2HD TYR 35 -9.797 -13.994 1.804 229 HD2 TYR 35 1HD TYR 35 -5.988 -12.909 3.361 230 HE1 TYR 35 2HE TYR 35 -10.755 -13.901 4.067 231 HE2 TYR 35 1HE TYR 35 -6.936 -12.814 5.628 232 HH TYR 35 HH TYR 35 -9.052 -12.562 6.730 233 H GLN 36 H GLN 36 -8.012 -9.829 0.525 234 HA GLN 36 HA GLN 36 -5.156 -9.189 0.860 235 HB2 GLN 36 1HB GLN 36 -7.296 -7.701 -0.645 236 HB3 GLN 36 2HB GLN 36 -5.830 -6.901 -0.092 237 HG2 GLN 36 1HG GLN 36 -4.509 -7.961 -1.603 238 HG3 GLN 36 2HG GLN 36 -5.518 -9.406 -1.640 239 HE21 GLN 36 1HE2 GLN 36 -7.904 -8.656 -2.380 240 HE22 GLN 36 2HE2 GLN 36 -7.898 -7.841 -3.903 241 H LEU 37 H LEU 37 -4.597 -7.811 2.494 242 HA LEU 37 HA LEU 37 -6.679 -6.465 4.019 243 HB2 LEU 37 1HB LEU 37 -4.809 -8.497 5.227 244 HB3 LEU 37 2HB LEU 37 -5.829 -7.396 6.151 245 HG LEU 37 HG LEU 37 -6.897 -9.472 4.244 246 HD11 LEU 37 1HD1 LEU 37 -5.940 -9.698 7.000 247 HD12 LEU 37 2HD1 LEU 37 -6.234 -10.947 5.791 248 HD13 LEU 37 3HD1 LEU 37 -7.574 -10.310 6.744 249 HD21 LEU 37 1HD2 LEU 37 -8.771 -8.847 6.193 250 HD22 LEU 37 2HD2 LEU 37 -8.781 -8.319 4.509 251 HD23 LEU 37 3HD2 LEU 37 -8.061 -7.294 5.751 252 H CYS 38 H CYS 38 -5.681 -5.123 5.811 253 HA CYS 38 HA CYS 38 -3.165 -3.966 4.819 254 HB2 CYS 38 1HB CYS 38 -3.886 -1.914 6.059 255 HB3 CYS 38 2HB CYS 38 -4.967 -2.374 4.748 256 H GLN 39 H GLN 39 -1.969 -2.744 6.674 257 HA GLN 39 HA GLN 39 -0.735 -4.510 8.326 258 HB2 GLN 39 1HB GLN 39 -0.126 -2.085 7.900 259 HB3 GLN 39 2HB GLN 39 -1.278 -1.662 9.159 260 HG2 GLN 39 1HG GLN 39 0.904 -1.692 10.113 261 HG3 GLN 39 2HG GLN 39 0.008 -3.075 10.738 262 HE21 GLN 39 1HE2 GLN 39 0.452 -5.161 9.811 263 HE22 GLN 39 2HE2 GLN 39 2.018 -5.497 9.163 264 H ASP 40 H ASP 40 -3.306 -2.296 9.434 265 HA ASP 40 HA ASP 40 -3.632 -3.314 11.981 266 HB2 ASP 40 1HB ASP 40 -6.116 -2.547 11.590 267 HB3 ASP 40 2HB ASP 40 -4.817 -1.360 11.638 268 H CYS 41 H CYS 41 -5.770 -4.084 9.228 269 HA CYS 41 HA CYS 41 -7.327 -6.023 10.196 270 HB2 CYS 41 1HB CYS 41 -5.955 -5.768 7.554 271 HB3 CYS 41 2HB CYS 41 -6.856 -7.242 7.894 272 H PHE 42 H PHE 42 -3.992 -6.596 9.100 273 HA PHE 42 HA PHE 42 -3.972 -9.343 9.817 274 HB2 PHE 42 1HB PHE 42 -2.411 -8.063 8.195 275 HB3 PHE 42 2HB PHE 42 -1.497 -7.646 9.641 276 HD1 PHE 42 2HD PHE 42 -3.204 -10.803 8.647 277 HD2 PHE 42 1HD PHE 42 0.462 -8.856 9.588 278 HE1 PHE 42 2HE PHE 42 -2.029 -12.961 8.521 279 HE2 PHE 42 1HE PHE 42 1.643 -11.010 9.463 280 HZ PHE 42 HZ PHE 42 0.397 -13.067 8.930 281 H TRP 43 H TRP 43 -2.589 -6.455 11.371 282 HA TRP 43 HA TRP 43 -1.362 -7.519 13.546 283 HB2 TRP 43 1HB TRP 43 -2.871 -4.993 13.098 284 HB3 TRP 43 2HB TRP 43 -2.457 -5.404 14.760 285 HD1 TRP 43 HD TRP 43 -0.392 -5.574 11.464 286 HE1 TRP 43 1HE TRP 43 1.862 -4.407 11.892 287 HE3 TRP 43 3HE TRP 43 -1.132 -4.133 16.313 288 HZ2 TRP 43 2HZ TRP 43 3.155 -3.056 14.006 289 HZ3 TRP 43 3HZ TRP 43 0.663 -2.908 17.466 290 HH2 TRP 43 HH TRP 43 2.762 -2.382 16.335 291 H ARG 44 H ARG 44 -4.842 -6.983 13.173 292 HA ARG 44 HA ARG 44 -5.431 -8.023 15.797 293 HB2 ARG 44 1HB ARG 44 -7.277 -7.366 13.494 294 HB3 ARG 44 2HB ARG 44 -7.783 -7.737 15.136 295 HG2 ARG 44 1HG ARG 44 -6.467 -5.745 15.895 296 HG3 ARG 44 2HG ARG 44 -6.236 -5.339 14.193 297 HD2 ARG 44 1HD ARG 44 -8.096 -4.079 15.006 298 HD3 ARG 44 2HD ARG 44 -8.716 -5.334 13.934 299 HE ARG 44 HE ARG 44 -8.689 -6.016 16.744 300 HH11 ARG 44 2HH1 ARG 44 -10.501 -4.684 14.087 301 HH12 ARG 44 1HH1 ARG 44 -12.043 -4.982 14.819 302 HH21 ARG 44 2HH2 ARG 44 -10.712 -6.414 17.718 303 HH22 ARG 44 1HH2 ARG 44 -12.162 -5.965 16.885 304 H GLY 45 H GLY 45 -5.602 -9.161 12.459 305 HA2 GLY 45 1HA GLY 45 -5.281 -11.446 11.884 306 HA3 GLY 45 2HA GLY 45 -5.842 -11.899 13.486 307 H HIS 46 H HIS 46 -6.661 -11.712 10.258 308 HA HIS 46 HA HIS 46 -9.526 -11.952 10.905 309 HB2 HIS 46 1HB HIS 46 -8.143 -10.499 8.693 310 HB3 HIS 46 2HB HIS 46 -9.713 -11.225 8.365 311 HD1 HIS 46 1HD HIS 46 -10.479 -8.680 8.027 312 HD2 HIS 46 2HD HIS 46 -9.478 -9.786 11.905 313 HE1 HIS 46 1HE HIS 46 -11.448 -6.893 9.508 314 H ALA 47 H ALA 47 -10.759 -13.382 9.535 315 HA ALA 47 HA ALA 47 -9.604 -15.079 7.608 316 HB1 ALA 47 1HB ALA 47 -9.023 -15.808 10.298 317 HB2 ALA 47 2HB ALA 47 -10.108 -17.015 9.606 318 HB3 ALA 47 3HB ALA 47 -8.582 -16.639 8.806 319 H GLY 48 H GLY 48 -11.058 -17.271 7.579 320 HA2 GLY 48 1HA GLY 48 -13.710 -17.126 8.497 321 HA3 GLY 48 2HA GLY 48 -13.642 -16.417 6.890 322 H GLY 49 H GLY 49 -15.234 -18.434 6.905 323 HA2 GLY 49 1HA GLY 49 -14.569 -21.037 6.890 324 HA3 GLY 49 2HA GLY 49 -15.593 -20.346 5.640 325 H SER 50 H SER 50 -13.561 -18.708 4.444 326 HA SER 50 HA SER 50 -12.245 -20.775 2.885 327 HB2 SER 50 1HB SER 50 -13.385 -18.961 1.698 328 HB3 SER 50 2HB SER 50 -12.355 -17.774 2.496 329 HG SER 50 HG SER 50 -10.567 -18.730 1.444 330 H HIS 51 H HIS 51 -11.023 -17.588 3.867 331 HA HIS 51 HA HIS 51 -8.334 -18.434 3.955 332 HB2 HIS 51 1HB HIS 51 -8.962 -16.090 3.609 333 HB3 HIS 51 2HB HIS 51 -9.629 -16.018 5.238 334 HD2 HIS 51 2HD HIS 51 -7.763 -15.694 7.278 335 HE1 HIS 51 1HE HIS 51 -4.379 -15.391 4.737 336 HE2 HIS 51 2HE HIS 51 -5.226 -15.221 7.103 337 H SER 52 H SER 52 -6.967 -18.885 5.675 338 HA SER 52 HA SER 52 -8.338 -19.670 8.160 339 HB2 SER 52 1HB SER 52 -7.400 -21.609 7.145 340 HB3 SER 52 2HB SER 52 -5.883 -20.780 6.795 341 HG SER 52 HG SER 52 -6.699 -22.040 9.076 342 H ASN 53 H ASN 53 -7.314 -19.281 10.167 343 HA ASN 53 HA ASN 53 -6.063 -16.760 10.379 344 HB2 ASN 53 1HB ASN 53 -5.839 -17.287 12.767 345 HB3 ASN 53 2HB ASN 53 -7.445 -17.700 12.176 346 HD21 ASN 53 1HD2 ASN 53 -5.631 -18.685 14.406 347 HD22 ASN 53 2HD2 ASN 53 -5.675 -20.405 14.242 348 H GLN 54 H GLN 54 -4.819 -19.903 9.824 349 HA GLN 54 HA GLN 54 -2.139 -19.219 10.731 350 HB2 GLN 54 1HB GLN 54 -3.369 -21.726 9.605 351 HB3 GLN 54 2HB GLN 54 -1.634 -21.563 9.837 352 HG2 GLN 54 1HG GLN 54 -2.137 -21.022 12.251 353 HG3 GLN 54 2HG GLN 54 -3.791 -21.539 11.924 354 HE21 GLN 54 1HE2 GLN 54 -4.233 -23.588 12.285 355 HE22 GLN 54 2HE2 GLN 54 -3.087 -24.878 12.365 356 H HIS 55 H HIS 55 -3.509 -17.884 8.422 357 HA HIS 55 HA HIS 55 -1.661 -18.625 6.259 358 HB2 HIS 55 1HB HIS 55 -4.351 -17.301 6.300 359 HB3 HIS 55 2HB HIS 55 -3.263 -17.030 4.942 360 HD2 HIS 55 2HD HIS 55 -3.068 -20.620 6.242 361 HE1 HIS 55 1HE HIS 55 -5.680 -20.650 2.899 362 HE2 HIS 55 2HE HIS 55 -4.442 -22.053 4.584 363 H GLN 56 H GLN 56 0.053 -17.383 5.938 364 HA GLN 56 HA GLN 56 0.319 -14.858 7.298 365 HB2 GLN 56 1HB GLN 56 2.103 -16.651 5.734 366 HB3 GLN 56 2HB GLN 56 2.543 -14.950 5.820 367 HG2 GLN 56 1HG GLN 56 3.691 -15.895 7.592 368 HG3 GLN 56 2HG GLN 56 2.256 -15.212 8.355 369 HE21 GLN 56 1HE2 GLN 56 2.743 -16.707 10.081 370 HE22 GLN 56 2HE2 GLN 56 2.214 -18.347 9.962 371 H MET 57 H MET 57 0.884 -12.858 6.247 372 HA MET 57 HA MET 57 -0.298 -12.625 3.558 373 HB2 MET 57 1HB MET 57 -0.125 -10.379 5.556 374 HB3 MET 57 2HB MET 57 -1.125 -10.478 4.113 375 HG2 MET 57 1HG MET 57 -1.494 -12.373 6.401 376 HG3 MET 57 2HG MET 57 -2.245 -10.779 6.389 377 HE1 MET 57 1HE MET 57 -3.909 -10.821 2.969 378 HE2 MET 57 2HE MET 57 -4.830 -10.508 4.440 379 HE3 MET 57 3HE MET 57 -3.185 -9.891 4.281 380 H LYS 58 H LYS 58 0.867 -11.683 1.977 381 HA LYS 58 HA LYS 58 3.548 -10.702 2.695 382 HB2 LYS 58 1HB LYS 58 2.488 -12.228 0.360 383 HB3 LYS 58 2HB LYS 58 3.845 -11.140 0.097 384 HG2 LYS 58 1HG LYS 58 5.219 -12.336 1.602 385 HG3 LYS 58 2HG LYS 58 3.851 -13.260 2.226 386 HD2 LYS 58 1HD LYS 58 5.071 -14.689 0.756 387 HD3 LYS 58 2HD LYS 58 3.578 -14.233 -0.069 388 HE2 LYS 58 1HE LYS 58 5.144 -13.944 -1.737 389 HE3 LYS 58 2HE LYS 58 5.036 -12.318 -1.063 390 HZ1 LYS 58 1HZ LYS 58 7.249 -14.163 -1.067 391 HZ2 LYS 58 2HZ LYS 58 6.966 -13.449 0.440 392 HZ3 LYS 58 3HZ LYS 58 7.245 -12.478 -0.917 393 H GLU 59 H GLU 59 4.240 -8.728 2.010 394 HA GLU 59 HA GLU 59 2.247 -6.825 1.249 395 HB2 GLU 59 1HB GLU 59 4.071 -5.194 1.315 396 HB3 GLU 59 2HB GLU 59 4.085 -6.215 2.746 397 HG2 GLU 59 1HG GLU 59 5.795 -6.876 0.386 398 HG3 GLU 59 2HG GLU 59 6.308 -5.673 1.567 399 H TYR 60 H TYR 60 1.875 -5.869 -0.689 400 HA TYR 60 HA TYR 60 3.481 -6.812 -2.973 401 HB2 TYR 60 1HB TYR 60 0.534 -6.658 -2.587 402 HB3 TYR 60 2HB TYR 60 1.163 -6.280 -4.187 403 HD1 TYR 60 1HD TYR 60 1.804 -8.868 -1.557 404 HD2 TYR 60 2HD TYR 60 1.113 -8.033 -5.672 405 HE1 TYR 60 1HE TYR 60 1.945 -11.271 -2.062 406 HE2 TYR 60 2HE TYR 60 1.251 -10.434 -6.188 407 HH TYR 60 HH TYR 60 2.563 -12.664 -4.224 408 H THR 61 H THR 61 0.900 -4.393 -2.651 409 HA THR 61 HA THR 61 2.329 -2.516 -4.272 410 HB THR 61 HB THR 61 -0.162 -2.069 -2.615 411 HG1 THR 61 1HG THR 61 -0.232 -2.423 -5.391 412 HG21 THR 61 1HG2 THR 61 0.297 0.073 -3.173 413 HG22 THR 61 2HG2 THR 61 -0.349 -0.405 -4.743 414 HG23 THR 61 3HG2 THR 61 1.394 -0.393 -4.473 415 H SER 62 H SER 62 1.465 -2.685 -0.830 416 HA SER 62 HA SER 62 2.344 -1.677 1.010 417 HB2 SER 62 1HB SER 62 4.616 -1.609 -0.918 418 HB3 SER 62 2HB SER 62 4.744 -0.613 0.531 419 HG SER 62 HG SER 62 5.588 -2.703 0.876 420 H TRP 63 H TRP 63 0.480 -0.203 -0.188 421 HA TRP 63 HA TRP 63 1.447 2.456 -0.776 422 HB2 TRP 63 1HB TRP 63 -1.145 2.888 -0.703 423 HB3 TRP 63 2HB TRP 63 -0.427 2.008 -2.050 424 HD1 TRP 63 HD TRP 63 -1.629 -0.166 -2.641 425 HE1 TRP 63 1HE TRP 63 -3.190 -1.807 -1.418 426 HE3 TRP 63 3HE TRP 63 -1.591 1.981 1.999 427 HZ2 TRP 63 2HZ TRP 63 -4.263 -2.147 1.170 428 HZ3 TRP 63 3HZ TRP 63 -2.912 0.936 3.793 429 HH2 TRP 63 HH TRP 63 -4.221 -1.085 3.384 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -28.429 15.308 4.595 2 HA2 GLY 1 1HA GLY 1 -26.010 15.179 4.406 3 HA3 GLY 1 2HA GLY 1 -26.066 13.740 5.413 4 H SER 2 H SER 2 -24.776 13.939 2.886 5 HA SER 2 HA SER 2 -25.749 11.594 1.652 6 HB2 SER 2 1HB SER 2 -26.615 12.418 -0.418 7 HB3 SER 2 2HB SER 2 -27.456 13.293 0.862 8 HG SER 2 HG SER 2 -25.219 14.608 0.197 9 H SER 3 H SER 3 -24.471 10.972 -0.234 10 HA SER 3 HA SER 3 -22.287 12.495 -1.168 11 HB2 SER 3 1HB SER 3 -21.647 11.862 1.281 12 HB3 SER 3 2HB SER 3 -21.346 10.261 0.605 13 HG SER 3 HG SER 3 -20.203 12.019 -1.000 14 H GLY 4 H GLY 4 -20.930 11.305 -2.659 15 HA2 GLY 4 1HA GLY 4 -21.911 8.623 -3.352 16 HA3 GLY 4 2HA GLY 4 -21.935 9.880 -4.581 17 H SER 5 H SER 5 -20.537 7.491 -4.904 18 HA SER 5 HA SER 5 -17.841 8.539 -5.234 19 HB2 SER 5 1HB SER 5 -17.820 7.371 -3.041 20 HB3 SER 5 2HB SER 5 -18.348 5.894 -3.848 21 HG SER 5 HG SER 5 -16.131 5.822 -3.675 22 H SER 6 H SER 6 -17.177 8.115 -7.226 23 HA SER 6 HA SER 6 -17.670 5.569 -8.481 24 HB2 SER 6 1HB SER 6 -19.736 7.126 -8.861 25 HB3 SER 6 2HB SER 6 -18.682 7.943 -10.016 26 HG SER 6 HG SER 6 -20.053 5.686 -10.341 27 H GLY 7 H GLY 7 -16.262 5.143 -10.162 28 HA2 GLY 7 1HA GLY 7 -14.872 6.576 -11.883 29 HA3 GLY 7 2HA GLY 7 -14.049 7.040 -10.401 30 H VAL 8 H VAL 8 -12.922 5.676 -12.678 31 HA VAL 8 HA VAL 8 -12.631 2.902 -12.122 32 HB VAL 8 HB VAL 8 -10.751 2.977 -13.723 33 HG11 VAL 8 1HG1 VAL 8 -12.360 4.377 -15.483 34 HG12 VAL 8 2HG1 VAL 8 -12.467 2.655 -15.111 35 HG13 VAL 8 3HG1 VAL 8 -13.481 3.811 -14.246 36 HG21 VAL 8 1HG2 VAL 8 -9.721 5.054 -13.303 37 HG22 VAL 8 2HG2 VAL 8 -10.410 5.194 -14.920 38 HG23 VAL 8 3HG2 VAL 8 -11.226 5.941 -13.546 39 H PHE 9 H PHE 9 -10.633 5.751 -11.442 40 HA PHE 9 HA PHE 9 -8.324 4.817 -10.500 41 HB2 PHE 9 1HB PHE 9 -9.986 6.720 -8.843 42 HB3 PHE 9 2HB PHE 9 -8.230 6.625 -8.919 43 HD1 PHE 9 2HD PHE 9 -7.173 7.049 -11.258 44 HD2 PHE 9 1HD PHE 9 -11.100 8.258 -10.147 45 HE1 PHE 9 2HE PHE 9 -7.161 8.729 -13.055 46 HE2 PHE 9 1HE PHE 9 -11.094 9.940 -11.943 47 HZ PHE 9 HZ PHE 9 -9.123 10.178 -13.399 48 H HIS 10 H HIS 10 -7.528 3.558 -8.912 49 HA HIS 10 HA HIS 10 -9.474 2.252 -7.147 50 HB2 HIS 10 1HB HIS 10 -7.479 0.645 -6.788 51 HB3 HIS 10 2HB HIS 10 -8.328 0.591 -8.331 52 HD1 HIS 10 1HD HIS 10 -7.101 1.970 -10.323 53 HD2 HIS 10 2HD HIS 10 -4.798 1.044 -6.992 54 HE1 HIS 10 1HE HIS 10 -4.713 2.230 -11.065 55 HA PRO 11 HA PRO 11 -7.529 5.006 -4.103 56 HB2 PRO 11 1HB PRO 11 -9.590 4.851 -2.342 57 HB3 PRO 11 2HB PRO 11 -9.596 5.939 -3.735 58 HG2 PRO 11 1HG PRO 11 -10.894 3.261 -3.418 59 HG3 PRO 11 2HG PRO 11 -11.545 4.740 -4.149 60 HD2 PRO 11 1HD PRO 11 -10.554 2.699 -5.627 61 HD3 PRO 11 2HD PRO 11 -10.436 4.394 -6.139 62 H VAL 12 H VAL 12 -7.017 4.686 -1.788 63 HA VAL 12 HA VAL 12 -6.152 1.980 -1.324 64 HB VAL 12 HB VAL 12 -5.910 4.405 0.462 65 HG11 VAL 12 1HG1 VAL 12 -4.041 3.074 1.478 66 HG12 VAL 12 2HG1 VAL 12 -5.659 2.438 1.783 67 HG13 VAL 12 3HG1 VAL 12 -4.627 1.682 0.568 68 HG21 VAL 12 1HG2 VAL 12 -4.336 5.123 -0.929 69 HG22 VAL 12 2HG2 VAL 12 -3.427 3.639 -0.647 70 HG23 VAL 12 3HG2 VAL 12 -4.586 3.725 -1.973 71 H GLU 13 H GLU 13 -8.106 0.834 -1.073 72 HA GLU 13 HA GLU 13 -9.406 1.275 1.531 73 HB2 GLU 13 1HB GLU 13 -10.734 0.476 -1.063 74 HB3 GLU 13 2HB GLU 13 -11.526 0.456 0.506 75 HG2 GLU 13 1HG GLU 13 -11.529 2.772 0.677 76 HG3 GLU 13 2HG GLU 13 -10.271 2.959 -0.544 77 H CYS 14 H CYS 14 -10.014 -0.561 2.680 78 HA CYS 14 HA CYS 14 -8.522 -2.951 1.994 79 HB2 CYS 14 1HB CYS 14 -8.865 -1.793 4.354 80 HB3 CYS 14 2HB CYS 14 -10.299 -2.813 4.389 81 H SER 15 H SER 15 -9.828 -5.057 2.807 82 HA SER 15 HA SER 15 -12.191 -5.152 1.067 83 HB2 SER 15 1HB SER 15 -10.486 -6.737 0.433 84 HB3 SER 15 2HB SER 15 -10.366 -7.341 2.085 85 HG SER 15 HG SER 15 -12.125 -8.494 1.805 86 H TYR 16 H TYR 16 -11.046 -6.064 4.285 87 HA TYR 16 HA TYR 16 -13.723 -6.895 5.074 88 HB2 TYR 16 1HB TYR 16 -11.763 -8.223 5.791 89 HB3 TYR 16 2HB TYR 16 -11.162 -6.830 6.684 90 HD1 TYR 16 2HD TYR 16 -12.945 -5.813 8.394 91 HD2 TYR 16 1HD TYR 16 -12.938 -9.821 6.965 92 HE1 TYR 16 2HE TYR 16 -14.243 -6.512 10.363 93 HE2 TYR 16 1HE TYR 16 -14.237 -10.530 8.930 94 HH TYR 16 HH TYR 16 -15.829 -8.407 10.944 95 H CYS 17 H CYS 17 -11.284 -4.851 6.679 96 HA CYS 17 HA CYS 17 -13.216 -3.403 8.160 97 HB2 CYS 17 1HB CYS 17 -11.408 -2.119 8.992 98 HB3 CYS 17 2HB CYS 17 -10.759 -3.736 8.738 99 H HIS 18 H HIS 18 -12.117 -3.144 4.951 100 HA HIS 18 HA HIS 18 -12.280 -1.520 3.338 101 HB2 HIS 18 1HB HIS 18 -14.665 -2.389 3.857 102 HB3 HIS 18 2HB HIS 18 -14.906 -0.822 4.624 103 HD1 HIS 18 1HD HIS 18 -16.104 0.686 3.091 104 HD2 HIS 18 2HD HIS 18 -13.456 -1.784 1.053 105 HE1 HIS 18 1HE HIS 18 -16.294 1.346 0.672 106 H SER 19 H SER 19 -10.670 -0.531 5.241 107 HA SER 19 HA SER 19 -11.434 1.813 6.541 108 HB2 SER 19 1HB SER 19 -9.278 0.551 6.871 109 HB3 SER 19 2HB SER 19 -8.695 1.277 5.373 110 HG SER 19 HG SER 19 -8.980 2.381 7.874 111 H GLU 20 H GLU 20 -10.318 4.005 5.945 112 HA GLU 20 HA GLU 20 -10.805 4.557 3.093 113 HB2 GLU 20 1HB GLU 20 -11.807 6.695 3.699 114 HB3 GLU 20 2HB GLU 20 -12.685 5.369 4.450 115 HG2 GLU 20 1HG GLU 20 -10.550 6.875 5.916 116 HG3 GLU 20 2HG GLU 20 -12.218 7.441 5.857 117 H SER 21 H SER 21 -9.066 5.403 6.027 118 HA SER 21 HA SER 21 -7.571 7.557 5.253 119 HB2 SER 21 1HB SER 21 -7.416 6.611 7.494 120 HB3 SER 21 2HB SER 21 -6.637 5.163 6.857 121 HG SER 21 HG SER 21 -4.823 6.295 6.457 122 H MET 22 H MET 22 -5.237 7.631 4.628 123 HA MET 22 HA MET 22 -4.866 6.061 2.218 124 HB2 MET 22 1HB MET 22 -4.396 8.629 2.636 125 HB3 MET 22 2HB MET 22 -2.838 8.028 3.186 126 HG2 MET 22 1HG MET 22 -2.481 8.519 0.952 127 HG3 MET 22 2HG MET 22 -2.749 6.778 0.956 128 HE1 MET 22 1HE MET 22 -2.678 8.444 -1.455 129 HE2 MET 22 2HE MET 22 -3.485 6.958 -1.957 130 HE3 MET 22 3HE MET 22 -4.194 8.524 -2.354 131 H MET 23 H MET 23 -4.475 4.002 3.174 132 HA MET 23 HA MET 23 -1.839 3.760 4.468 133 HB2 MET 23 1HB MET 23 -4.270 1.978 4.685 134 HB3 MET 23 2HB MET 23 -2.697 1.590 5.368 135 HG2 MET 23 1HG MET 23 -4.437 3.931 6.108 136 HG3 MET 23 2HG MET 23 -4.166 2.477 7.066 137 HE1 MET 23 1HE MET 23 -2.392 5.340 9.052 138 HE2 MET 23 2HE MET 23 -3.999 4.943 8.445 139 HE3 MET 23 3HE MET 23 -3.084 3.748 9.365 140 H GLY 24 H GLY 24 -0.481 3.403 2.783 141 HA2 GLY 24 1HA GLY 24 -1.211 1.679 0.588 142 HA3 GLY 24 2HA GLY 24 0.340 2.470 0.826 143 H PHE 25 H PHE 25 -1.623 -0.057 2.405 144 HA PHE 25 HA PHE 25 0.780 -1.752 2.450 145 HB2 PHE 25 1HB PHE 25 -1.210 -1.547 4.718 146 HB3 PHE 25 2HB PHE 25 0.261 -2.514 4.689 147 HD1 PHE 25 2HD PHE 25 -0.940 0.998 4.506 148 HD2 PHE 25 1HD PHE 25 2.245 -1.642 5.508 149 HE1 PHE 25 2HE PHE 25 0.310 2.881 5.477 150 HE2 PHE 25 1HE PHE 25 3.500 0.237 6.481 151 HZ PHE 25 HZ PHE 25 2.534 2.503 6.465 152 H ARG 26 H ARG 26 0.044 -2.954 0.701 153 HA ARG 26 HA ARG 26 -2.541 -4.300 0.955 154 HB2 ARG 26 1HB ARG 26 -2.088 -3.261 -1.193 155 HB3 ARG 26 2HB ARG 26 -0.581 -4.156 -1.341 156 HG2 ARG 26 1HG ARG 26 -2.213 -6.225 -1.095 157 HG3 ARG 26 2HG ARG 26 -3.375 -5.061 -1.734 158 HD2 ARG 26 1HD ARG 26 -0.734 -5.290 -3.078 159 HD3 ARG 26 2HD ARG 26 -1.902 -6.589 -3.319 160 HE ARG 26 HE ARG 26 -2.910 -3.911 -3.758 161 HH11 ARG 26 2HH1 ARG 26 -1.488 -6.762 -5.159 162 HH12 ARG 26 1HH1 ARG 26 -2.035 -6.406 -6.764 163 HH21 ARG 26 2HH2 ARG 26 -3.637 -3.430 -5.866 164 HH22 ARG 26 1HH2 ARG 26 -3.257 -4.510 -7.165 165 H TYR 27 H TYR 27 -2.450 -6.078 2.176 166 HA TYR 27 HA TYR 27 -0.129 -7.861 1.909 167 HB2 TYR 27 1HB TYR 27 -2.219 -7.651 4.084 168 HB3 TYR 27 2HB TYR 27 -0.952 -8.872 4.042 169 HD1 TYR 27 1HD TYR 27 1.460 -8.113 4.144 170 HD2 TYR 27 2HD TYR 27 -1.802 -5.505 4.958 171 HE1 TYR 27 1HE TYR 27 2.987 -6.576 5.307 172 HE2 TYR 27 2HE TYR 27 -0.283 -3.959 6.121 173 HH TYR 27 HH TYR 27 1.783 -3.652 6.909 174 H ARG 28 H ARG 28 -0.570 -9.179 0.221 175 HA ARG 28 HA ARG 28 -3.208 -10.406 -0.002 176 HB2 ARG 28 1HB ARG 28 -1.974 -9.436 -1.991 177 HB3 ARG 28 2HB ARG 28 -0.847 -10.778 -1.843 178 HG2 ARG 28 1HG ARG 28 -2.769 -12.336 -2.118 179 HG3 ARG 28 2HG ARG 28 -3.791 -10.933 -2.443 180 HD2 ARG 28 1HD ARG 28 -3.196 -11.659 -4.568 181 HD3 ARG 28 2HD ARG 28 -2.047 -10.359 -4.251 182 HE ARG 28 HE ARG 28 -0.357 -11.894 -4.325 183 HH11 ARG 28 2HH1 ARG 28 -3.378 -13.565 -3.881 184 HH12 ARG 28 1HH1 ARG 28 -2.683 -15.142 -4.064 185 HH21 ARG 28 2HH2 ARG 28 0.571 -13.964 -4.568 186 HH22 ARG 28 1HH2 ARG 28 -0.436 -15.367 -4.453 187 H CYS 29 H CYS 29 -3.616 -12.305 0.898 188 HA CYS 29 HA CYS 29 -1.887 -13.843 2.364 189 HB2 CYS 29 1HB CYS 29 -4.230 -14.226 2.572 190 HB3 CYS 29 2HB CYS 29 -4.385 -14.632 0.866 191 H GLN 30 H GLN 30 -1.075 -16.048 1.957 192 HA GLN 30 HA GLN 30 0.548 -16.099 -0.380 193 HB2 GLN 30 1HB GLN 30 0.112 -17.936 1.941 194 HB3 GLN 30 2HB GLN 30 0.981 -18.526 0.531 195 HG2 GLN 30 1HG GLN 30 2.361 -16.317 0.858 196 HG3 GLN 30 2HG GLN 30 1.759 -16.451 2.510 197 HE21 GLN 30 1HE2 GLN 30 4.389 -16.969 0.861 198 HE22 GLN 30 2HE2 GLN 30 4.989 -18.416 1.589 199 H GLN 31 H GLN 31 -1.608 -18.699 0.741 200 HA GLN 31 HA GLN 31 -2.285 -19.220 -2.074 201 HB2 GLN 31 1HB GLN 31 -1.156 -20.977 -0.468 202 HB3 GLN 31 2HB GLN 31 -2.805 -21.204 0.101 203 HG2 GLN 31 1HG GLN 31 -3.388 -21.507 -2.388 204 HG3 GLN 31 2HG GLN 31 -1.655 -21.747 -2.604 205 HE21 GLN 31 1HE2 GLN 31 -4.593 -23.044 -1.328 206 HE22 GLN 31 2HE2 GLN 31 -3.982 -24.614 -0.945 207 H CYS 32 H CYS 32 -4.129 -18.187 -2.540 208 HA CYS 32 HA CYS 32 -6.581 -19.040 -1.454 209 HB2 CYS 32 1HB CYS 32 -5.361 -16.612 -0.262 210 HB3 CYS 32 2HB CYS 32 -7.073 -16.517 -0.660 211 H HIS 33 H HIS 33 -8.421 -17.519 -2.209 212 HA HIS 33 HA HIS 33 -7.955 -16.997 -5.010 213 HB2 HIS 33 1HB HIS 33 -10.480 -16.603 -3.392 214 HB3 HIS 33 2HB HIS 33 -10.357 -16.642 -5.148 215 HD1 HIS 33 1HD HIS 33 -11.911 -18.632 -3.024 216 HD2 HIS 33 2HD HIS 33 -8.587 -19.424 -5.388 217 HE1 HIS 33 1HE HIS 33 -11.857 -21.132 -3.294 218 H ASN 34 H ASN 34 -9.707 -15.024 -2.620 219 HA ASN 34 HA ASN 34 -8.185 -12.680 -3.517 220 HB2 ASN 34 1HB ASN 34 -11.171 -12.592 -3.087 221 HB3 ASN 34 2HB ASN 34 -10.144 -11.353 -3.801 222 HD21 ASN 34 1HD2 ASN 34 -12.420 -12.273 -5.051 223 HD22 ASN 34 2HD2 ASN 34 -11.974 -13.143 -6.476 224 H TYR 35 H TYR 35 -7.038 -12.744 -1.564 225 HA TYR 35 HA TYR 35 -8.589 -11.818 0.755 226 HB2 TYR 35 1HB TYR 35 -7.686 -14.309 0.754 227 HB3 TYR 35 2HB TYR 35 -6.182 -13.522 1.219 228 HD1 TYR 35 2HD TYR 35 -9.800 -13.560 2.152 229 HD2 TYR 35 1HD TYR 35 -5.772 -13.179 3.467 230 HE1 TYR 35 2HE TYR 35 -10.576 -13.470 4.484 231 HE2 TYR 35 1HE TYR 35 -6.537 -13.089 5.803 232 HH TYR 35 HH TYR 35 -9.975 -13.412 6.624 233 H GLN 36 H GLN 36 -7.997 -9.724 0.784 234 HA GLN 36 HA GLN 36 -5.118 -9.150 0.984 235 HB2 GLN 36 1HB GLN 36 -7.227 -7.713 -0.601 236 HB3 GLN 36 2HB GLN 36 -5.783 -6.872 -0.053 237 HG2 GLN 36 1HG GLN 36 -5.063 -7.522 -2.097 238 HG3 GLN 36 2HG GLN 36 -4.592 -8.949 -1.175 239 HE21 GLN 36 1HE2 GLN 36 -5.555 -8.316 -4.035 240 HE22 GLN 36 2HE2 GLN 36 -6.719 -9.556 -4.338 241 H LEU 37 H LEU 37 -4.649 -8.405 2.934 242 HA LEU 37 HA LEU 37 -6.672 -6.796 4.350 243 HB2 LEU 37 1HB LEU 37 -4.550 -8.595 5.512 244 HB3 LEU 37 2HB LEU 37 -5.670 -7.602 6.442 245 HG LEU 37 HG LEU 37 -6.423 -9.932 4.677 246 HD11 LEU 37 1HD1 LEU 37 -6.629 -11.231 6.563 247 HD12 LEU 37 2HD1 LEU 37 -6.773 -9.841 7.639 248 HD13 LEU 37 3HD1 LEU 37 -5.204 -10.270 6.959 249 HD21 LEU 37 1HD2 LEU 37 -8.064 -8.088 6.404 250 HD22 LEU 37 2HD2 LEU 37 -8.647 -9.635 5.790 251 HD23 LEU 37 3HD2 LEU 37 -8.205 -8.349 4.666 252 H CYS 38 H CYS 38 -5.734 -5.261 5.960 253 HA CYS 38 HA CYS 38 -3.339 -3.991 4.821 254 HB2 CYS 38 1HB CYS 38 -4.151 -1.906 5.787 255 HB3 CYS 38 2HB CYS 38 -5.401 -2.634 4.783 256 H GLN 39 H GLN 39 -2.177 -2.576 6.555 257 HA GLN 39 HA GLN 39 -0.775 -4.155 8.269 258 HB2 GLN 39 1HB GLN 39 -0.412 -1.685 7.640 259 HB3 GLN 39 2HB GLN 39 -1.440 -1.319 9.019 260 HG2 GLN 39 1HG GLN 39 0.126 -2.591 10.458 261 HG3 GLN 39 2HG GLN 39 1.182 -2.793 9.061 262 HE21 GLN 39 1HE2 GLN 39 1.866 -0.757 7.988 263 HE22 GLN 39 2HE2 GLN 39 2.220 0.601 8.994 264 H ASP 40 H ASP 40 -3.535 -2.110 9.229 265 HA ASP 40 HA ASP 40 -3.686 -2.934 11.884 266 HB2 ASP 40 1HB ASP 40 -4.918 -1.002 10.989 267 HB3 ASP 40 2HB ASP 40 -5.956 -2.089 10.070 268 H CYS 41 H CYS 41 -5.945 -3.978 9.330 269 HA CYS 41 HA CYS 41 -7.289 -5.964 10.482 270 HB2 CYS 41 1HB CYS 41 -6.101 -5.784 7.743 271 HB3 CYS 41 2HB CYS 41 -6.914 -7.270 8.222 272 H PHE 42 H PHE 42 -4.082 -6.517 9.024 273 HA PHE 42 HA PHE 42 -3.785 -9.167 9.835 274 HB2 PHE 42 1HB PHE 42 -2.341 -7.756 8.218 275 HB3 PHE 42 2HB PHE 42 -1.456 -7.272 9.661 276 HD1 PHE 42 2HD PHE 42 -2.810 -10.469 8.282 277 HD2 PHE 42 1HD PHE 42 0.507 -8.399 9.964 278 HE1 PHE 42 2HE PHE 42 -1.461 -12.521 8.137 279 HE2 PHE 42 1HE PHE 42 1.862 -10.448 9.820 280 HZ PHE 42 HZ PHE 42 0.879 -12.512 8.907 281 H TRP 43 H TRP 43 -2.610 -6.202 11.416 282 HA TRP 43 HA TRP 43 -1.331 -7.272 13.590 283 HB2 TRP 43 1HB TRP 43 -2.863 -4.745 13.157 284 HB3 TRP 43 2HB TRP 43 -2.356 -5.147 14.796 285 HD1 TRP 43 HD TRP 43 -0.267 -5.725 11.596 286 HE1 TRP 43 1HE TRP 43 1.920 -4.386 11.817 287 HE3 TRP 43 3HE TRP 43 -1.243 -3.298 15.988 288 HZ2 TRP 43 2HZ TRP 43 3.078 -2.545 13.616 289 HZ3 TRP 43 3HZ TRP 43 0.457 -1.766 16.892 290 HH2 TRP 43 HH TRP 43 2.572 -1.399 15.729 291 H ARG 44 H ARG 44 -4.805 -6.735 13.185 292 HA ARG 44 HA ARG 44 -5.438 -7.687 15.823 293 HB2 ARG 44 1HB ARG 44 -7.254 -7.227 13.448 294 HB3 ARG 44 2HB ARG 44 -7.770 -7.476 15.111 295 HG2 ARG 44 1HG ARG 44 -5.901 -5.239 14.537 296 HG3 ARG 44 2HG ARG 44 -7.593 -5.069 14.067 297 HD2 ARG 44 1HD ARG 44 -7.654 -4.218 16.196 298 HD3 ARG 44 2HD ARG 44 -8.032 -5.911 16.509 299 HE ARG 44 HE ARG 44 -5.520 -4.544 17.112 300 HH11 ARG 44 2HH1 ARG 44 -7.437 -7.449 17.158 301 HH12 ARG 44 1HH1 ARG 44 -6.422 -8.257 18.307 302 HH21 ARG 44 2HH2 ARG 44 -4.176 -5.596 18.624 303 HH22 ARG 44 1HH2 ARG 44 -4.568 -7.202 19.141 304 H GLY 45 H GLY 45 -5.496 -8.999 12.545 305 HA2 GLY 45 1HA GLY 45 -5.134 -11.288 12.061 306 HA3 GLY 45 2HA GLY 45 -5.640 -11.689 13.695 307 H HIS 46 H HIS 46 -6.570 -11.491 10.449 308 HA HIS 46 HA HIS 46 -9.382 -11.963 11.196 309 HB2 HIS 46 1HB HIS 46 -8.227 -10.487 8.838 310 HB3 HIS 46 2HB HIS 46 -9.871 -11.118 8.821 311 HD1 HIS 46 1HD HIS 46 -10.758 -8.665 8.656 312 HD2 HIS 46 2HD HIS 46 -8.676 -9.532 12.146 313 HE1 HIS 46 1HE HIS 46 -11.273 -6.775 10.233 314 H ALA 47 H ALA 47 -10.503 -13.581 10.093 315 HA ALA 47 HA ALA 47 -9.465 -15.062 7.930 316 HB1 ALA 47 1HB ALA 47 -8.183 -15.687 10.296 317 HB2 ALA 47 2HB ALA 47 -9.395 -16.958 10.126 318 HB3 ALA 47 3HB ALA 47 -8.226 -16.677 8.836 319 H GLY 48 H GLY 48 -10.610 -17.406 7.991 320 HA2 GLY 48 1HA GLY 48 -13.059 -17.680 9.342 321 HA3 GLY 48 2HA GLY 48 -13.364 -16.896 7.799 322 H GLY 49 H GLY 49 -14.643 -19.130 7.961 323 HA2 GLY 49 1HA GLY 49 -13.599 -21.598 7.630 324 HA3 GLY 49 2HA GLY 49 -14.972 -21.035 6.689 325 H SER 50 H SER 50 -13.461 -19.004 5.266 326 HA SER 50 HA SER 50 -12.380 -20.712 3.205 327 HB2 SER 50 1HB SER 50 -13.828 -18.655 2.798 328 HB3 SER 50 2HB SER 50 -12.409 -17.692 3.209 329 HG SER 50 HG SER 50 -13.004 -18.953 0.900 330 H HIS 51 H HIS 51 -11.103 -17.755 4.741 331 HA HIS 51 HA HIS 51 -8.394 -18.590 4.136 332 HB2 HIS 51 1HB HIS 51 -8.966 -16.250 3.815 333 HB3 HIS 51 2HB HIS 51 -9.472 -16.112 5.496 334 HD2 HIS 51 2HD HIS 51 -7.439 -15.649 7.311 335 HE1 HIS 51 1HE HIS 51 -4.264 -15.704 4.497 336 HE2 HIS 51 2HE HIS 51 -4.910 -15.300 6.898 337 H SER 52 H SER 52 -6.935 -19.385 5.542 338 HA SER 52 HA SER 52 -7.883 -19.973 8.251 339 HB2 SER 52 1HB SER 52 -7.105 -21.881 6.915 340 HB3 SER 52 2HB SER 52 -5.533 -21.107 6.712 341 HG SER 52 HG SER 52 -5.962 -21.129 9.281 342 H ASN 53 H ASN 53 -7.061 -19.006 9.992 343 HA ASN 53 HA ASN 53 -5.526 -16.738 9.940 344 HB2 ASN 53 1HB ASN 53 -6.760 -17.345 11.921 345 HB3 ASN 53 2HB ASN 53 -5.780 -18.791 12.145 346 HD21 ASN 53 1HD2 ASN 53 -5.499 -15.271 11.912 347 HD22 ASN 53 2HD2 ASN 53 -4.236 -15.121 13.081 348 H GLN 54 H GLN 54 -4.474 -20.021 9.711 349 HA GLN 54 HA GLN 54 -1.711 -19.420 10.326 350 HB2 GLN 54 1HB GLN 54 -3.108 -21.914 9.362 351 HB3 GLN 54 2HB GLN 54 -1.366 -21.821 9.586 352 HG2 GLN 54 1HG GLN 54 -1.845 -21.132 11.971 353 HG3 GLN 54 2HG GLN 54 -3.516 -21.602 11.667 354 HE21 GLN 54 1HE2 GLN 54 -4.050 -23.738 11.559 355 HE22 GLN 54 2HE2 GLN 54 -2.947 -25.016 11.926 356 H HIS 55 H HIS 55 -3.105 -18.090 8.055 357 HA HIS 55 HA HIS 55 -1.480 -19.070 5.811 358 HB2 HIS 55 1HB HIS 55 -4.041 -17.521 5.972 359 HB3 HIS 55 2HB HIS 55 -3.030 -17.387 4.536 360 HD2 HIS 55 2HD HIS 55 -3.062 -20.933 5.980 361 HE1 HIS 55 1HE HIS 55 -5.848 -20.860 2.782 362 HE2 HIS 55 2HE HIS 55 -4.645 -22.302 4.461 363 H GLN 56 H GLN 56 0.331 -18.012 5.383 364 HA GLN 56 HA GLN 56 0.960 -15.519 6.624 365 HB2 GLN 56 1HB GLN 56 2.504 -17.515 5.829 366 HB3 GLN 56 2HB GLN 56 2.566 -16.578 4.342 367 HG2 GLN 56 1HG GLN 56 4.417 -15.837 5.502 368 HG3 GLN 56 2HG GLN 56 3.207 -14.607 5.865 369 HE21 GLN 56 1HE2 GLN 56 5.384 -16.849 7.132 370 HE22 GLN 56 2HE2 GLN 56 4.927 -16.729 8.794 371 H MET 57 H MET 57 1.153 -13.492 5.731 372 HA MET 57 HA MET 57 -0.206 -13.130 3.152 373 HB2 MET 57 1HB MET 57 0.328 -11.054 5.280 374 HB3 MET 57 2HB MET 57 -0.703 -10.877 3.866 375 HG2 MET 57 1HG MET 57 -1.223 -12.898 6.025 376 HG3 MET 57 2HG MET 57 -1.873 -11.261 6.058 377 HE1 MET 57 1HE MET 57 -3.264 -10.274 3.945 378 HE2 MET 57 2HE MET 57 -4.718 -11.226 3.644 379 HE3 MET 57 3HE MET 57 -4.240 -10.845 5.299 380 H LYS 58 H LYS 58 0.595 -11.471 1.699 381 HA LYS 58 HA LYS 58 3.514 -11.119 1.904 382 HB2 LYS 58 1HB LYS 58 2.411 -12.637 0.045 383 HB3 LYS 58 2HB LYS 58 2.123 -11.090 -0.740 384 HG2 LYS 58 1HG LYS 58 4.141 -11.743 -1.641 385 HG3 LYS 58 2HG LYS 58 4.641 -10.679 -0.324 386 HD2 LYS 58 1HD LYS 58 4.643 -12.937 1.040 387 HD3 LYS 58 2HD LYS 58 4.851 -13.641 -0.566 388 HE2 LYS 58 1HE LYS 58 6.787 -12.121 -0.913 389 HE3 LYS 58 2HE LYS 58 6.612 -11.578 0.755 390 HZ1 LYS 58 1HZ LYS 58 7.526 -13.449 1.546 391 HZ2 LYS 58 2HZ LYS 58 8.176 -13.607 -0.007 392 HZ3 LYS 58 3HZ LYS 58 6.769 -14.447 0.410 393 H GLU 59 H GLU 59 4.166 -9.084 2.077 394 HA GLU 59 HA GLU 59 2.335 -6.904 1.812 395 HB2 GLU 59 1HB GLU 59 4.215 -5.497 2.457 396 HB3 GLU 59 2HB GLU 59 4.124 -6.909 3.501 397 HG2 GLU 59 1HG GLU 59 5.891 -7.974 2.126 398 HG3 GLU 59 2HG GLU 59 6.034 -6.469 1.219 399 H TYR 60 H TYR 60 1.916 -5.705 0.080 400 HA TYR 60 HA TYR 60 3.767 -5.865 -2.208 401 HB2 TYR 60 1HB TYR 60 0.802 -6.020 -2.046 402 HB3 TYR 60 2HB TYR 60 1.489 -5.171 -3.427 403 HD1 TYR 60 1HD TYR 60 1.783 -8.397 -1.573 404 HD2 TYR 60 2HD TYR 60 2.106 -6.382 -5.307 405 HE1 TYR 60 1HE TYR 60 2.169 -10.552 -2.696 406 HE2 TYR 60 2HE TYR 60 2.492 -8.531 -6.440 407 HH TYR 60 HH TYR 60 2.432 -10.770 -6.211 408 H THR 61 H THR 61 2.955 -3.923 -3.811 409 HA THR 61 HA THR 61 3.965 -1.578 -2.650 410 HB THR 61 HB THR 61 3.082 -0.433 -4.714 411 HG1 THR 61 1HG THR 61 1.501 -1.456 -5.673 412 HG21 THR 61 1HG2 THR 61 5.271 -1.914 -4.428 413 HG22 THR 61 2HG2 THR 61 4.823 -1.204 -5.979 414 HG23 THR 61 3HG2 THR 61 4.459 -2.897 -5.646 415 H SER 62 H SER 62 0.669 -1.984 -3.954 416 HA SER 62 HA SER 62 -0.666 -1.110 -1.636 417 HB2 SER 62 1HB SER 62 0.505 1.032 -2.311 418 HB3 SER 62 2HB SER 62 -0.495 1.031 -3.764 419 HG SER 62 HG SER 62 -1.673 0.814 -1.216 420 H TRP 63 H TRP 63 -2.966 -0.845 -1.966 421 HA TRP 63 HA TRP 63 -3.866 -2.125 -4.461 422 HB2 TRP 63 1HB TRP 63 -5.864 -2.832 -3.116 423 HB3 TRP 63 2HB TRP 63 -4.340 -3.529 -2.571 424 HD1 TRP 63 HD TRP 63 -5.212 0.048 -1.577 425 HE1 TRP 63 1HE TRP 63 -5.647 0.122 0.958 426 HE3 TRP 63 3HE TRP 63 -5.157 -4.970 -0.597 427 HZ2 TRP 63 2HZ TRP 63 -5.928 -1.705 3.092 428 HZ3 TRP 63 3HZ TRP 63 -5.516 -5.723 1.717 429 HH2 TRP 63 HH TRP 63 -5.894 -4.123 3.522
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