NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20086 | 2f1e | 5998 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 6 1H ARG 6 56.217 86.658 82.406 2 HA ARG 6 HA ARG 6 53.277 86.214 82.133 3 1HB ARG 6 1HB ARG 6 55.162 86.704 84.453 4 2HB ARG 6 2HB ARG 6 53.409 86.633 84.642 5 1HG ARG 6 1HG ARG 6 53.393 84.360 83.679 6 2HG ARG 6 2HG ARG 6 55.146 84.427 83.494 7 1HD ARG 6 1HD ARG 6 53.749 84.768 86.170 8 2HD ARG 6 2HD ARG 6 54.396 83.220 85.588 9 HE ARG 6 HE ARG 6 56.338 85.383 85.379 10 1HH1 ARG 6 1HH2 ARG 6 56.544 82.356 86.189 11 2HH1 ARG 6 2HH2 ARG 6 57.177 82.531 87.790 12 1HH2 ARG 6 2HH1 ARG 6 56.447 85.915 87.996 13 2HH2 ARG 6 1HH1 ARG 6 57.122 84.545 88.813 14 H TYR 7 H TYR 7 55.659 88.742 82.130 15 HA TYR 7 HA TYR 7 53.499 90.792 82.506 16 1HB TYR 7 1HB TYR 7 56.492 90.904 83.019 17 2HB TYR 7 2HB TYR 7 55.370 92.241 83.281 18 HD1 TYR 7 HD1 TYR 7 53.083 91.238 84.571 19 HD2 TYR 7 HD2 TYR 7 57.138 89.893 85.011 20 HE1 TYR 7 HE1 TYR 7 52.542 90.344 86.820 21 HE2 TYR 7 HE2 TYR 7 56.598 89.000 87.261 22 HH TYR 7 HH TYR 7 54.956 89.346 89.029 23 H ARG 8 H ARG 8 52.925 91.514 80.505 24 HA ARG 8 HA ARG 8 55.009 92.570 78.673 25 1HB ARG 8 1HB ARG 8 53.157 90.248 78.108 26 2HB ARG 8 2HB ARG 8 53.857 91.210 76.808 27 1HG ARG 8 1HG ARG 8 56.131 90.755 77.829 28 2HG ARG 8 2HG ARG 8 55.338 89.601 78.902 29 1HD ARG 8 1HD ARG 8 55.025 89.446 75.893 30 2HD ARG 8 2HD ARG 8 56.334 88.611 76.753 31 HE ARG 8 HE ARG 8 53.430 88.164 77.337 32 1HH1 ARG 8 2HH1 ARG 8 55.222 86.265 75.690 33 2HH1 ARG 8 1HH1 ARG 8 55.582 85.061 76.881 34 1HH2 ARG 8 1HH2 ARG 8 54.542 87.013 79.553 35 2HH2 ARG 8 2HH2 ARG 8 55.198 85.484 79.068 36 H VAL 9 H VAL 9 54.276 94.380 77.690 37 HA VAL 9 HA VAL 9 51.382 94.836 77.191 38 HB VAL 9 HB VAL 9 53.122 96.563 78.995 39 1HG1 VAL 9 1HG1 VAL 9 51.742 98.205 78.230 40 2HG1 VAL 9 2HG1 VAL 9 50.526 97.446 79.257 41 3HG1 VAL 9 3HG1 VAL 9 50.601 97.052 77.540 42 1HG2 VAL 9 1HG2 VAL 9 50.815 94.677 79.511 43 2HG2 VAL 9 2HG2 VAL 9 51.231 95.962 80.644 44 3HG2 VAL 9 3HG2 VAL 9 52.403 94.695 80.279 45 H GLU 10 H GLU 10 51.408 95.466 75.106 46 HA GLU 10 HA GLU 10 53.644 97.180 74.035 47 1HB GLU 10 1HB GLU 10 53.180 94.938 73.019 48 2HB GLU 10 2HB GLU 10 51.526 95.459 72.702 49 1HG GLU 10 1HG GLU 10 52.374 97.315 71.310 50 2HG GLU 10 2HG GLU 10 54.028 96.794 71.624 51 H VAL 11 H VAL 11 53.196 99.226 73.633 52 HA VAL 11 HA VAL 11 50.327 100.082 73.428 53 HB VAL 11 HB VAL 11 52.792 101.547 74.438 54 1HG1 VAL 11 1HG1 VAL 11 49.916 102.351 74.045 55 2HG1 VAL 11 2HG1 VAL 11 51.380 103.244 73.638 56 3HG1 VAL 11 3HG1 VAL 11 50.878 103.096 75.321 57 1HG2 VAL 11 1HG2 VAL 11 51.715 101.329 76.645 58 2HG2 VAL 11 2HG2 VAL 11 52.000 99.738 75.939 59 3HG2 VAL 11 3HG2 VAL 11 50.382 100.437 75.915 60 H GLU 12 H GLU 12 49.773 101.316 71.606 61 HA GLU 12 HA GLU 12 51.989 102.013 69.698 62 1HB GLU 12 1HB GLU 12 50.502 100.061 69.107 63 2HB GLU 12 2HB GLU 12 49.134 101.175 69.105 64 1HG GLU 12 1HG GLU 12 49.938 100.928 66.823 65 2HG GLU 12 2HG GLU 12 50.326 102.553 67.386 66 H VAL 13 H VAL 13 51.975 104.109 68.974 67 HA VAL 13 HA VAL 13 49.589 105.827 69.592 68 HB VAL 13 HB VAL 13 52.550 106.453 69.855 69 1HG1 VAL 13 1HG1 VAL 13 50.046 108.092 70.127 70 2HG1 VAL 13 2HG1 VAL 13 51.578 108.519 69.363 71 3HG1 VAL 13 3HG1 VAL 13 51.450 108.479 71.122 72 1HG2 VAL 13 1HG2 VAL 13 52.150 105.200 71.757 73 2HG2 VAL 13 2HG2 VAL 13 50.428 105.580 71.773 74 3HG2 VAL 13 3HG2 VAL 13 51.600 106.773 72.334 75 H SER 14 H SER 14 48.905 107.103 67.936 76 HA SER 14 HA SER 14 50.665 107.296 65.519 77 1HB SER 14 1HB SER 14 48.518 107.111 64.231 78 2HB SER 14 2HB SER 14 48.865 105.680 65.199 79 HG SER 14 HG SER 14 46.664 106.714 65.300 80 HA PRO 15 HA PRO 15 49.531 111.593 66.496 81 1HB PRO 15 1HB PRO 15 51.774 112.753 65.490 82 2HB PRO 15 2HB PRO 15 51.722 112.025 67.108 83 1HG PRO 15 1HG PRO 15 52.838 110.936 64.578 84 2HG PRO 15 2HG PRO 15 53.459 110.816 66.232 85 1HD PRO 15 1HD PRO 15 52.132 108.798 64.976 86 2HD PRO 15 2HD PRO 15 52.142 109.021 66.737 87 H ARG 16 H ARG 16 49.211 113.496 65.120 88 HA ARG 16 HA ARG 16 49.351 113.186 62.188 89 1HB ARG 16 1HB ARG 16 46.877 113.371 61.961 90 2HB ARG 16 2HB ARG 16 47.345 111.894 62.800 91 1HG ARG 16 1HG ARG 16 46.921 113.014 64.974 92 2HG ARG 16 2HG ARG 16 46.396 114.459 64.111 93 1HD ARG 16 1HD ARG 16 44.364 113.326 64.560 94 2HD ARG 16 2HD ARG 16 44.738 112.826 62.899 95 HE ARG 16 HE ARG 16 46.014 110.879 64.184 96 1HH1 ARG 16 2HH1 ARG 16 44.284 112.070 66.567 97 2HH1 ARG 16 1HH1 ARG 16 43.079 110.829 66.668 98 1HH2 ARG 16 1HH2 ARG 16 43.914 109.401 63.619 99 2HH2 ARG 16 2HH2 ARG 16 42.869 109.318 64.999 100 H PHE 17 H PHE 17 49.648 115.154 61.319 101 HA PHE 17 HA PHE 17 49.948 117.529 62.865 102 1HB PHE 17 1HB PHE 17 51.010 116.985 60.685 103 2HB PHE 17 2HB PHE 17 49.448 117.193 59.894 104 HD1 PHE 17 HD1 PHE 17 51.902 118.976 62.085 105 HD2 PHE 17 HD2 PHE 17 48.760 119.326 59.176 106 HE1 PHE 17 HE1 PHE 17 52.306 121.418 61.943 107 HE2 PHE 17 HE2 PHE 17 49.165 121.770 59.036 108 HZ PHE 17 HZ PHE 17 50.937 122.815 60.419 109 H LEU 18 H LEU 18 48.540 119.205 63.337 110 HA LEU 18 HA LEU 18 45.709 119.017 62.313 111 1HB LEU 18 1HB LEU 18 46.902 119.978 64.934 112 2HB LEU 18 2HB LEU 18 45.214 120.220 64.492 113 HG LEU 18 HG LEU 18 46.571 117.513 64.617 114 1HD1 LEU 18 1HD1 LEU 18 45.193 119.182 66.655 115 2HD1 LEU 18 2HD1 LEU 18 46.417 117.930 66.866 116 3HD1 LEU 18 3HD1 LEU 18 44.732 117.481 66.604 117 1HD2 LEU 18 1HD2 LEU 18 44.009 116.912 64.731 118 2HD2 LEU 18 2HD2 LEU 18 44.750 117.264 63.169 119 3HD2 LEU 18 3HD2 LEU 18 43.799 118.499 63.992 120 H ALA 19 H ALA 19 46.471 120.248 60.472 121 HA ALA 19 HA ALA 19 47.492 122.969 60.592 122 1HB ALA 19 1HB ALA 19 45.702 122.014 58.416 123 2HB ALA 19 2HB ALA 19 47.176 121.090 58.706 124 3HB ALA 19 3HB ALA 19 47.273 122.807 58.315 125 H HIS 20 H HIS 20 44.190 121.614 60.571 126 HA HIS 20 HA HIS 20 42.870 124.148 60.173 127 1HB HIS 20 1HB HIS 20 41.940 121.849 59.754 128 2HB HIS 20 2HB HIS 20 41.848 121.615 61.500 129 HD1 HIS 20 HD1 HIS 20 40.748 124.385 59.097 130 HD2 HIS 20 HD2 HIS 20 39.323 122.249 62.382 131 HE1 HIS 20 HE1 HIS 20 38.421 125.267 59.571 132 H GLN 21 H GLN 21 44.152 122.558 63.024 133 HA GLN 21 HA GLN 21 42.940 124.721 64.718 134 1HB GLN 21 1HB GLN 21 43.679 121.835 65.269 135 2HB GLN 21 2HB GLN 21 43.247 122.973 66.547 136 1HG GLN 21 1HG GLN 21 41.071 123.378 65.455 137 2HG GLN 21 2HG GLN 21 41.500 122.238 64.179 138 1HE2 GLN 21 1HE2 GLN 21 39.390 122.190 66.485 139 2HE2 GLN 21 2HE2 GLN 21 39.618 120.662 67.185 140 H SER 22 H SER 22 45.546 124.816 63.217 141 HA SER 22 HA SER 22 47.237 125.549 65.536 142 1HB SER 22 1HB SER 22 48.980 124.046 64.992 143 2HB SER 22 2HB SER 22 47.517 123.080 64.827 144 HG SER 22 HG SER 22 48.672 122.748 62.984 145 H THR 23 H THR 23 48.788 127.140 65.004 146 HA THR 23 HA THR 23 48.807 128.074 62.154 147 HB THR 23 HB THR 23 47.485 129.558 63.609 148 HG1 THR 23 HG1 THR 23 48.475 131.373 62.963 149 1HG2 THR 23 1HG2 THR 23 49.950 130.212 65.200 150 2HG2 THR 23 2HG2 THR 23 48.906 128.889 65.702 151 3HG2 THR 23 3HG2 THR 23 48.263 130.521 65.592 152 HA PRO 24 HA PRO 24 53.050 126.900 63.323 153 1HB PRO 24 1HB PRO 24 53.959 126.550 60.769 154 2HB PRO 24 2HB PRO 24 53.076 125.298 61.666 155 1HG PRO 24 1HG PRO 24 52.084 127.187 59.593 156 2HG PRO 24 2HG PRO 24 51.711 125.471 59.831 157 1HD PRO 24 1HD PRO 24 50.044 127.460 60.603 158 2HD PRO 24 2HD PRO 24 50.140 125.896 61.441 159 H ASP 25 H ASP 25 51.849 129.377 61.147 160 HA ASP 25 HA ASP 25 54.329 130.681 60.561 161 1HB ASP 25 1HB ASP 25 52.079 130.980 59.442 162 2HB ASP 25 2HB ASP 25 51.573 131.921 60.847 163 H GLU 26 H GLU 26 52.334 130.710 63.439 164 HA GLU 26 HA GLU 26 53.902 133.013 64.534 165 1HB GLU 26 1HB GLU 26 51.304 131.656 65.291 166 2HB GLU 26 2HB GLU 26 52.049 132.914 66.275 167 1HG GLU 26 1HG GLU 26 51.979 134.464 64.355 168 2HG GLU 26 2HG GLU 26 51.231 133.208 63.370 169 H GLY 27 H GLY 27 54.757 130.051 64.302 170 1HA GLY 27 1HA GLY 27 56.096 128.635 65.611 171 2HA GLY 27 2HA GLY 27 56.084 129.881 66.859 172 H ARG 28 H ARG 28 53.125 128.547 65.553 173 HA ARG 28 HA ARG 28 52.653 127.146 68.168 174 1HB ARG 28 1HB ARG 28 50.853 128.766 66.351 175 2HB ARG 28 2HB ARG 28 50.231 127.775 67.669 176 1HG ARG 28 1HG ARG 28 51.627 129.027 69.274 177 2HG ARG 28 2HG ARG 28 52.244 130.025 67.956 178 1HD ARG 28 1HD ARG 28 49.956 130.836 67.483 179 2HD ARG 28 2HD ARG 28 49.334 129.841 68.815 180 HE ARG 28 HE ARG 28 51.208 132.144 69.144 181 1HH1 ARG 28 1HH2 ARG 28 51.115 129.676 71.091 182 2HH1 ARG 28 2HH2 ARG 28 50.169 130.361 72.370 183 1HH2 ARG 28 2HH1 ARG 28 49.100 133.071 70.492 184 2HH2 ARG 28 1HH1 ARG 28 49.029 132.282 72.031 185 H TYR 29 H TYR 29 53.267 125.060 67.378 186 HA TYR 29 HA TYR 29 51.729 123.985 65.043 187 1HB TYR 29 1HB TYR 29 54.151 122.910 66.535 188 2HB TYR 29 2HB TYR 29 53.487 122.266 65.037 189 HD1 TYR 29 HD1 TYR 29 55.223 125.160 66.566 190 HD2 TYR 29 HD2 TYR 29 53.931 123.309 62.912 191 HE1 TYR 29 HE1 TYR 29 56.621 126.745 65.269 192 HE2 TYR 29 HE2 TYR 29 55.328 124.897 61.616 193 HH TYR 29 HH TYR 29 57.641 126.348 62.370 194 H ALA 30 H ALA 30 50.118 122.509 65.478 195 HA ALA 30 HA ALA 30 49.989 121.433 68.270 196 1HB ALA 30 1HB ALA 30 47.574 121.665 66.515 197 2HB ALA 30 2HB ALA 30 48.277 123.143 67.172 198 3HB ALA 30 3HB ALA 30 47.710 121.876 68.261 199 H PHE 31 H PHE 31 50.291 119.247 68.377 200 HA PHE 31 HA PHE 31 49.510 117.563 66.016 201 1HB PHE 31 1HB PHE 31 51.715 117.354 68.082 202 2HB PHE 31 2HB PHE 31 51.281 116.010 67.028 203 HD1 PHE 31 HD1 PHE 31 52.642 119.449 67.135 204 HD2 PHE 31 HD2 PHE 31 51.814 116.027 64.676 205 HE1 PHE 31 HE1 PHE 31 54.039 120.408 65.326 206 HE2 PHE 31 HE2 PHE 31 53.208 116.990 62.865 207 HZ PHE 31 HZ PHE 31 54.320 119.182 63.190 208 H ALA 32 H ALA 32 48.009 115.921 66.448 209 HA ALA 32 HA ALA 32 47.217 115.492 69.311 210 1HB ALA 32 1HB ALA 32 45.160 114.543 67.874 211 2HB ALA 32 2HB ALA 32 45.824 115.642 66.666 212 3HB ALA 32 3HB ALA 32 45.310 116.262 68.236 213 H TYR 33 H TYR 33 47.546 113.405 70.098 214 HA TYR 33 HA TYR 33 48.128 111.288 68.052 215 1HB TYR 33 1HB TYR 33 49.954 110.527 69.441 216 2HB TYR 33 2HB TYR 33 50.134 112.259 69.194 217 HD1 TYR 33 HD1 TYR 33 49.846 109.622 71.602 218 HD2 TYR 33 HD2 TYR 33 49.249 113.835 71.047 219 HE1 TYR 33 HE1 TYR 33 49.902 109.950 74.057 220 HE2 TYR 33 HE2 TYR 33 49.296 114.160 73.504 221 HH TYR 33 HH TYR 33 50.474 112.679 75.529 222 H SER 34 H SER 34 47.317 109.222 68.468 223 HA SER 34 HA SER 34 45.354 109.021 70.717 224 1HB SER 34 1HB SER 34 45.725 107.609 68.061 225 2HB SER 34 2HB SER 34 44.530 107.102 69.253 226 HG SER 34 HG SER 34 43.332 108.585 68.375 227 H ILE 35 H ILE 35 45.600 107.412 72.255 228 HA ILE 35 HA ILE 35 48.141 105.807 72.198 229 HB ILE 35 HB ILE 35 46.230 106.704 74.370 230 1HG1 ILE 35 1HG1 ILE 35 47.589 108.509 73.368 231 2HG1 ILE 35 2HG1 ILE 35 48.109 108.176 75.016 232 1HG2 ILE 35 1HG2 ILE 35 47.152 104.715 75.231 233 2HG2 ILE 35 2HG2 ILE 35 48.259 105.953 75.825 234 3HG2 ILE 35 3HG2 ILE 35 48.701 104.974 74.426 235 1HD1 ILE 35 1HD1 ILE 35 49.666 106.438 73.514 236 2HD1 ILE 35 2HD1 ILE 35 50.197 107.991 74.155 237 3HD1 ILE 35 3HD1 ILE 35 49.589 107.879 72.504 238 H ARG 36 H ARG 36 48.048 103.669 72.015 239 HA ARG 36 HA ARG 36 45.440 102.241 72.463 240 1HB ARG 36 1HB ARG 36 47.666 101.866 70.436 241 2HB ARG 36 2HB ARG 36 46.374 100.688 70.671 242 1HG ARG 36 1HG ARG 36 44.694 102.422 70.161 243 2HG ARG 36 2HG ARG 36 45.985 103.602 69.922 244 1HD ARG 36 1HD ARG 36 46.896 102.242 68.066 245 2HD ARG 36 2HD ARG 36 45.592 101.060 68.299 246 HE ARG 36 HE ARG 36 45.127 103.915 67.523 247 1HH1 ARG 36 2HH1 ARG 36 43.026 101.937 68.796 248 2HH1 ARG 36 1HH1 ARG 36 42.131 101.527 67.372 249 1HH2 ARG 36 1HH2 ARG 36 44.501 102.809 65.190 250 2HH2 ARG 36 2HH2 ARG 36 42.965 102.021 65.330 251 H ILE 37 H ILE 37 45.881 101.518 74.565 252 HA ILE 37 HA ILE 37 48.453 100.172 75.208 253 HB ILE 37 HB ILE 37 45.952 100.756 76.828 254 1HG1 ILE 37 1HG1 ILE 37 48.601 102.231 76.818 255 2HG1 ILE 37 2HG1 ILE 37 47.200 102.760 75.884 256 1HG2 ILE 37 1HG2 ILE 37 47.068 99.984 78.690 257 2HG2 ILE 37 2HG2 ILE 37 48.653 100.403 78.044 258 3HG2 ILE 37 3HG2 ILE 37 47.830 98.947 77.486 259 1HD1 ILE 37 1HD1 ILE 37 47.176 103.957 77.985 260 2HD1 ILE 37 2HD1 ILE 37 47.378 102.460 78.893 261 3HD1 ILE 37 3HD1 ILE 37 45.874 102.769 78.028 262 H GLN 38 H GLN 38 48.623 98.028 74.715 263 HA GLN 38 HA GLN 38 46.178 96.293 74.966 264 1HB GLN 38 1HB GLN 38 47.051 96.600 72.649 265 2HB GLN 38 2HB GLN 38 48.629 96.020 73.184 266 1HG GLN 38 1HG GLN 38 47.622 93.859 73.822 267 2HG GLN 38 2HG GLN 38 46.044 94.436 73.285 268 1HE2 GLN 38 1HE2 GLN 38 45.616 93.377 71.334 269 2HE2 GLN 38 2HE2 GLN 38 46.712 93.244 70.045 270 H ASN 39 H ASN 39 46.329 94.608 76.342 271 HA ASN 39 HA ASN 39 48.822 94.339 77.906 272 1HB ASN 39 1HB ASN 39 46.564 94.596 78.958 273 2HB ASN 39 2HB ASN 39 46.099 93.043 78.266 274 1HD2 ASN 39 1HD2 ASN 39 46.395 93.763 81.169 275 2HD2 ASN 39 2HD2 ASN 39 47.539 92.675 81.791 276 H ALA 40 H ALA 40 50.294 92.794 77.270 277 HA ALA 40 HA ALA 40 49.270 90.312 75.923 278 1HB ALA 40 1HB ALA 40 50.593 91.388 74.329 279 2HB ALA 40 2HB ALA 40 51.806 90.397 75.138 280 3HB ALA 40 3HB ALA 40 51.648 92.105 75.547 281 H GLY 41 H GLY 41 50.111 91.217 78.904 282 1HA GLY 41 1HA GLY 41 52.167 89.199 79.481 283 2HA GLY 41 2HA GLY 41 51.388 90.255 80.660 284 H ALA 42 H ALA 42 51.580 87.748 81.513 285 HA ALA 42 HA ALA 42 49.266 86.123 80.721 286 1HB ALA 42 1HB ALA 42 50.283 84.489 82.122 287 2HB ALA 42 2HB ALA 42 51.148 85.719 83.046 288 3HB ALA 42 3HB ALA 42 51.629 85.360 81.387 289 H VAL 43 H VAL 43 50.338 88.037 83.483 290 HA VAL 43 HA VAL 43 47.735 87.608 84.876 291 HB VAL 43 HB VAL 43 50.386 88.866 85.691 292 1HG1 VAL 43 1HG1 VAL 43 49.542 88.971 87.933 293 2HG1 VAL 43 2HG1 VAL 43 48.083 88.082 87.493 294 3HG1 VAL 43 3HG1 VAL 43 48.324 89.727 86.906 295 1HG2 VAL 43 1HG2 VAL 43 50.571 86.792 87.087 296 2HG2 VAL 43 2HG2 VAL 43 50.577 86.465 85.353 297 3HG2 VAL 43 3HG2 VAL 43 49.117 86.180 86.299 298 HA PRO 44 HA PRO 44 46.115 91.431 83.438 299 1HB PRO 44 1HB PRO 44 44.689 92.247 85.635 300 2HB PRO 44 2HB PRO 44 44.121 91.001 84.504 301 1HG PRO 44 1HG PRO 44 45.501 90.671 87.133 302 2HG PRO 44 2HG PRO 44 44.079 89.824 86.496 303 1HD PRO 44 1HD PRO 44 46.474 88.675 86.437 304 2HD PRO 44 2HD PRO 44 45.341 88.483 85.084 305 H ALA 45 H ALA 45 46.706 93.588 83.525 306 HA ALA 45 HA ALA 45 48.341 94.557 85.847 307 1HB ALA 45 1HB ALA 45 49.040 94.293 82.932 308 2HB ALA 45 2HB ALA 45 49.990 93.829 84.344 309 3HB ALA 45 3HB ALA 45 49.812 95.532 83.923 310 H ARG 46 H ARG 46 48.321 96.819 86.093 311 HA ARG 46 HA ARG 46 46.411 98.335 84.345 312 1HB ARG 46 1HB ARG 46 45.651 99.440 86.435 313 2HB ARG 46 2HB ARG 46 45.421 97.694 86.513 314 1HG ARG 46 1HG ARG 46 47.520 97.468 87.791 315 2HG ARG 46 2HG ARG 46 47.752 99.215 87.719 316 1HD ARG 46 1HD ARG 46 45.539 99.498 88.892 317 2HD ARG 46 2HD ARG 46 45.486 97.736 89.100 318 HE ARG 46 HE ARG 46 47.613 99.502 90.245 319 1HH1 ARG 46 2HH1 ARG 46 47.787 96.389 89.587 320 2HH1 ARG 46 1HH1 ARG 46 47.651 95.773 91.201 321 1HH2 ARG 46 1HH2 ARG 46 46.595 98.788 92.547 322 2HH2 ARG 46 2HH2 ARG 46 46.975 97.131 92.876 323 H LEU 47 H LEU 47 46.878 100.677 84.252 324 HA LEU 47 HA LEU 47 49.794 101.236 84.558 325 1HB LEU 47 1HB LEU 47 48.384 101.505 82.407 326 2HB LEU 47 2HB LEU 47 47.673 102.913 83.197 327 HG LEU 47 HG LEU 47 50.664 102.599 83.015 328 1HD1 LEU 47 1HD1 LEU 47 50.227 102.524 80.733 329 2HD1 LEU 47 2HD1 LEU 47 50.264 104.267 80.999 330 3HD1 LEU 47 3HD1 LEU 47 48.718 103.424 80.888 331 1HD2 LEU 47 1HD2 LEU 47 48.674 104.762 83.591 332 2HD2 LEU 47 2HD2 LEU 47 50.217 105.212 82.866 333 3HD2 LEU 47 3HD2 LEU 47 50.181 104.383 84.422 334 H VAL 48 H VAL 48 50.337 102.261 86.452 335 HA VAL 48 HA VAL 48 48.284 103.874 87.879 336 HB VAL 48 HB VAL 48 51.020 102.829 88.679 337 1HG1 VAL 48 1HG1 VAL 48 50.052 103.270 91.013 338 2HG1 VAL 48 2HG1 VAL 48 48.828 104.249 90.205 339 3HG1 VAL 48 3HG1 VAL 48 50.531 104.693 90.087 340 1HG2 VAL 48 1HG2 VAL 48 49.756 101.138 89.925 341 2HG2 VAL 48 2HG2 VAL 48 49.319 101.069 88.218 342 3HG2 VAL 48 3HG2 VAL 48 48.235 101.842 89.375 343 H ALA 49 H ALA 49 51.430 104.239 86.276 344 HA ALA 49 HA ALA 49 51.153 107.191 86.677 345 1HB ALA 49 1HB ALA 49 53.866 106.760 86.862 346 2HB ALA 49 2HB ALA 49 53.207 105.330 87.659 347 3HB ALA 49 3HB ALA 49 52.779 106.939 88.240 348 H ARG 50 H ARG 50 52.530 108.452 85.207 349 HA ARG 50 HA ARG 50 53.445 107.081 82.696 350 1HB ARG 50 1HB ARG 50 52.075 108.609 81.383 351 2HB ARG 50 2HB ARG 50 51.042 107.732 82.506 352 1HG ARG 50 1HG ARG 50 51.371 109.746 84.093 353 2HG ARG 50 2HG ARG 50 51.978 110.597 82.674 354 1HD ARG 50 1HD ARG 50 49.711 109.570 81.614 355 2HD ARG 50 2HD ARG 50 49.200 109.734 83.306 356 HE ARG 50 HE ARG 50 50.632 112.084 82.356 357 1HH1 ARG 50 1HH2 ARG 50 48.422 112.328 84.281 358 2HH1 ARG 50 2HH2 ARG 50 47.120 112.932 83.312 359 1HH2 ARG 50 2HH1 ARG 50 48.601 112.052 80.302 360 2HH2 ARG 50 1HH1 ARG 50 47.222 112.775 81.058 361 H HIS 51 H HIS 51 55.161 108.060 81.758 362 HA HIS 51 HA HIS 51 55.965 110.804 82.601 363 1HB HIS 51 1HB HIS 51 57.005 109.171 84.153 364 2HB HIS 51 2HB HIS 51 57.680 108.302 82.776 365 HD1 HIS 51 HD1 HIS 51 60.083 108.881 83.805 366 HD2 HIS 51 HD2 HIS 51 57.883 112.162 82.473 367 HE1 HIS 51 HE1 HIS 51 61.713 110.811 83.623 368 H TRP 52 H TRP 52 56.076 111.803 80.654 369 HA TRP 52 HA TRP 52 57.014 110.327 78.231 370 1HB TRP 52 1HB TRP 52 55.444 112.807 78.878 371 2HB TRP 52 2HB TRP 52 56.187 112.642 77.288 372 HD1 TRP 52 HD1 TRP 52 53.234 111.565 79.277 373 HE1 TRP 52 HE1 TRP 52 51.838 109.861 77.938 374 HE3 TRP 52 HE3 TRP 52 56.495 110.543 75.484 375 HZ2 TRP 52 HZ2 TRP 52 52.077 108.274 75.566 376 HZ3 TRP 52 HZ3 TRP 52 55.888 108.931 73.702 377 HH2 TRP 52 HH2 TRP 52 53.684 107.797 73.739 378 H GLN 53 H GLN 53 58.939 110.796 77.284 379 HA GLN 53 HA GLN 53 60.585 113.058 78.379 380 1HB GLN 53 1HB GLN 53 61.253 110.344 77.200 381 2HB GLN 53 2HB GLN 53 62.473 111.571 77.539 382 1HG GLN 53 1HG GLN 53 61.790 111.606 79.908 383 2HG GLN 53 2HG GLN 53 60.568 110.379 79.575 384 1HE2 GLN 53 1HE2 GLN 53 63.228 110.367 81.213 385 2HE2 GLN 53 2HE2 GLN 53 64.011 108.964 80.666 386 H ILE 54 H ILE 54 59.441 114.459 76.730 387 HA ILE 54 HA ILE 54 59.811 113.823 73.890 388 HB ILE 54 HB ILE 54 58.436 115.730 73.523 389 1HG1 ILE 54 1HG1 ILE 54 58.939 116.626 76.381 390 2HG1 ILE 54 2HG1 ILE 54 59.728 117.322 74.969 391 1HG2 ILE 54 1HG2 ILE 54 57.148 115.206 76.095 392 2HG2 ILE 54 2HG2 ILE 54 57.669 113.726 75.293 393 3HG2 ILE 54 3HG2 ILE 54 56.591 114.845 74.462 394 1HD1 ILE 54 1HD1 ILE 54 56.839 117.471 75.768 395 2HD1 ILE 54 2HD1 ILE 54 57.295 117.634 74.072 396 3HD1 ILE 54 3HD1 ILE 54 57.922 118.769 75.266 397 H THR 55 H THR 55 61.502 114.400 72.665 398 HA THR 55 HA THR 55 63.298 116.624 73.589 399 HB THR 55 HB THR 55 63.957 114.022 72.135 400 HG1 THR 55 HG1 THR 55 64.256 113.275 74.051 401 1HG2 THR 55 1HG2 THR 55 65.678 115.293 71.351 402 2HG2 THR 55 2HG2 THR 55 66.345 115.029 72.962 403 3HG2 THR 55 3HG2 THR 55 65.474 116.519 72.602 404 H ASP 56 H ASP 56 63.483 118.248 72.202 405 HA ASP 56 HA ASP 56 62.103 118.032 69.610 406 1HB ASP 56 1HB ASP 56 61.841 119.886 71.353 407 2HB ASP 56 2HB ASP 56 63.444 120.437 70.868 408 H GLY 57 H GLY 57 63.181 119.233 67.740 409 1HA GLY 57 1HA GLY 57 65.585 117.932 66.979 410 2HA GLY 57 2HA GLY 57 64.876 119.306 66.140 411 H ASN 58 H ASN 58 65.344 120.542 69.172 412 HA ASN 58 HA ASN 58 68.031 121.577 68.398 413 1HB ASN 58 1HB ASN 58 67.429 123.427 69.967 414 2HB ASN 58 2HB ASN 58 66.226 123.222 68.696 415 1HD2 ASN 58 1HD2 ASN 58 64.756 124.333 70.353 416 2HD2 ASN 58 2HD2 ASN 58 64.013 123.366 71.532 417 H GLY 59 H GLY 59 66.936 119.106 70.223 418 1HA GLY 59 1HA GLY 59 68.332 117.799 71.670 419 2HA GLY 59 2HA GLY 59 69.311 119.228 71.977 420 H ARG 60 H ARG 60 66.955 120.920 72.641 421 HA ARG 60 HA ARG 60 66.861 120.501 75.463 422 1HB ARG 60 1HB ARG 60 65.664 122.219 73.419 423 2HB ARG 60 2HB ARG 60 64.540 121.898 74.735 424 1HG ARG 60 1HG ARG 60 65.611 123.527 75.880 425 2HG ARG 60 2HG ARG 60 66.947 122.391 76.053 426 1HD ARG 60 1HD ARG 60 67.746 124.536 75.104 427 2HD ARG 60 2HD ARG 60 67.905 123.239 73.902 428 HE ARG 60 HE ARG 60 65.910 124.088 72.785 429 1HH1 ARG 60 1HH2 ARG 60 64.794 125.288 75.414 430 2HH1 ARG 60 2HH2 ARG 60 64.869 126.977 75.036 431 1HH2 ARG 60 2HH1 ARG 60 66.970 126.547 72.313 432 2HH2 ARG 60 1HH1 ARG 60 66.100 127.690 73.281 433 H THR 61 H THR 61 65.369 119.401 76.787 434 HA THR 61 HA THR 61 63.216 117.879 75.373 435 HB THR 61 HB THR 61 63.837 115.933 76.775 436 HG1 THR 61 HG1 THR 61 65.976 117.573 77.644 437 1HG2 THR 61 1HG2 THR 61 66.418 116.931 75.607 438 2HG2 THR 61 2HG2 THR 61 65.045 116.607 74.551 439 3HG2 THR 61 3HG2 THR 61 65.721 115.313 75.541 440 H GLU 62 H GLU 62 61.323 117.456 76.675 441 HA GLU 62 HA GLU 62 61.198 118.971 79.264 442 1HB GLU 62 1HB GLU 62 59.226 118.653 76.983 443 2HB GLU 62 2HB GLU 62 58.781 119.339 78.546 444 1HG GLU 62 1HG GLU 62 60.515 121.076 78.281 445 2HG GLU 62 2HG GLU 62 60.960 120.394 76.717 446 H GLN 63 H GLN 63 60.717 117.657 80.964 447 HA GLN 63 HA GLN 63 59.624 114.924 80.444 448 1HB GLN 63 1HB GLN 63 61.065 116.275 82.736 449 2HB GLN 63 2HB GLN 63 60.442 114.627 82.828 450 1HG GLN 63 1HG GLN 63 61.809 113.997 80.873 451 2HG GLN 63 2HG GLN 63 62.437 115.644 80.782 452 1HE2 GLN 63 1HE2 GLN 63 64.623 115.266 81.383 453 2HE2 GLN 63 2HE2 GLN 63 65.081 114.604 82.877 454 H VAL 64 H VAL 64 57.592 114.380 81.141 455 HA VAL 64 HA VAL 64 56.177 116.246 83.019 456 HB VAL 64 HB VAL 64 55.118 114.830 80.544 457 1HG1 VAL 64 1HG1 VAL 64 53.755 116.817 82.388 458 2HG1 VAL 64 2HG1 VAL 64 53.445 115.082 82.377 459 3HG1 VAL 64 3HG1 VAL 64 53.045 116.057 80.964 460 1HG2 VAL 64 1HG2 VAL 64 55.688 117.756 81.118 461 2HG2 VAL 64 2HG2 VAL 64 54.881 117.155 79.670 462 3HG2 VAL 64 3HG2 VAL 64 56.563 116.728 79.983 463 H ASP 65 H ASP 65 55.211 115.254 84.709 464 HA ASP 65 HA ASP 65 54.926 112.263 84.664 465 1HB ASP 65 1HB ASP 65 55.591 112.377 87.054 466 2HB ASP 65 2HB ASP 65 56.839 113.042 86.002 467 H GLY 66 H GLY 66 52.857 111.597 85.048 468 1HA GLY 66 1HA GLY 66 51.094 113.251 86.776 469 2HA GLY 66 2HA GLY 66 50.516 112.823 85.163 470 H GLU 67 H GLU 67 48.821 111.768 86.785 471 HA GLU 67 HA GLU 67 49.546 109.369 88.198 472 1HB GLU 67 1HB GLU 67 46.927 110.307 86.968 473 2HB GLU 67 2HB GLU 67 47.077 109.035 88.180 474 1HG GLU 67 1HG GLU 67 48.074 110.646 89.758 475 2HG GLU 67 2HG GLU 67 47.922 111.923 88.551 476 H GLY 68 H GLY 68 47.652 107.496 87.129 477 1HA GLY 68 1HA GLY 68 49.175 106.024 85.301 478 2HA GLY 68 2HA GLY 68 47.433 105.833 85.485 479 H VAL 69 H VAL 69 46.034 107.029 84.057 480 HA VAL 69 HA VAL 69 47.363 108.478 81.806 481 HB VAL 69 HB VAL 69 45.936 107.158 80.226 482 1HG1 VAL 69 1HG1 VAL 69 47.309 105.103 80.345 483 2HG1 VAL 69 2HG1 VAL 69 47.832 105.561 81.965 484 3HG1 VAL 69 3HG1 VAL 69 48.279 106.556 80.580 485 1HG2 VAL 69 1HG2 VAL 69 45.197 104.875 81.277 486 2HG2 VAL 69 2HG2 VAL 69 44.154 106.284 81.462 487 3HG2 VAL 69 3HG2 VAL 69 45.190 105.773 82.792 488 H VAL 70 H VAL 70 46.339 110.311 81.391 489 HA VAL 70 HA VAL 70 44.831 112.080 81.683 490 HB VAL 70 HB VAL 70 42.775 111.648 80.447 491 1HG1 VAL 70 1HG1 VAL 70 43.818 111.250 78.470 492 2HG1 VAL 70 2HG1 VAL 70 44.539 109.741 79.032 493 3HG1 VAL 70 3HG1 VAL 70 45.278 111.285 79.459 494 1HG2 VAL 70 1HG2 VAL 70 43.404 108.690 80.642 495 2HG2 VAL 70 2HG2 VAL 70 41.970 109.439 79.941 496 3HG2 VAL 70 3HG2 VAL 70 42.236 109.507 81.682 497 H GLY 71 H GLY 71 45.183 110.621 84.155 498 1HA GLY 71 1HA GLY 71 44.266 110.983 86.302 499 2HA GLY 71 2HA GLY 71 42.811 111.613 85.545 500 H GLU 72 H GLU 72 43.894 108.440 84.531 501 HA GLU 72 HA GLU 72 41.962 107.178 86.441 502 1HB GLU 72 1HB GLU 72 40.908 105.973 84.560 503 2HB GLU 72 2HB GLU 72 40.758 107.717 84.366 504 1HG GLU 72 1HG GLU 72 42.121 107.764 82.538 505 2HG GLU 72 2HG GLU 72 43.177 106.503 83.162 506 H GLN 73 H GLN 73 42.327 104.942 86.828 507 HA GLN 73 HA GLN 73 45.018 103.927 85.957 508 1HB GLN 73 1HB GLN 73 43.314 103.565 88.439 509 2HB GLN 73 2HB GLN 73 44.767 102.615 88.123 510 1HG GLN 73 1HG GLN 73 46.152 104.580 88.125 511 2HG GLN 73 2HG GLN 73 44.743 105.642 88.151 512 1HE2 GLN 73 1HE2 GLN 73 44.996 106.627 90.207 513 2HE2 GLN 73 2HE2 GLN 73 45.049 105.758 91.664 514 HA PRO 74 HA PRO 74 41.597 101.341 84.062 515 1HB PRO 74 1HB PRO 74 43.016 100.668 81.827 516 2HB PRO 74 2HB PRO 74 42.021 102.133 81.942 517 1HG PRO 74 1HG PRO 74 44.967 101.819 82.238 518 2HG PRO 74 2HG PRO 74 44.042 103.092 81.423 519 1HD PRO 74 1HD PRO 74 45.122 103.412 83.883 520 2HD PRO 74 2HD PRO 74 43.629 104.228 83.370 521 H TRP 75 H TRP 75 41.498 99.123 84.267 522 HA TRP 75 HA TRP 75 43.958 97.699 85.191 523 1HB TRP 75 1HB TRP 75 41.604 97.939 86.400 524 2HB TRP 75 2HB TRP 75 41.158 96.620 85.319 525 HD1 TRP 75 HD1 TRP 75 43.913 97.471 87.894 526 HE1 TRP 75 HE1 TRP 75 44.657 95.278 89.028 527 HE3 TRP 75 HE3 TRP 75 41.093 94.119 85.269 528 HZ2 TRP 75 HZ2 TRP 75 44.126 92.474 88.845 529 HZ3 TRP 75 HZ3 TRP 75 41.231 91.697 85.769 530 HH2 TRP 75 HH2 TRP 75 42.743 90.871 87.552 531 H LEU 76 H LEU 76 44.611 97.598 82.824 532 HA LEU 76 HA LEU 76 43.067 96.276 80.825 533 1HB LEU 76 1HB LEU 76 45.414 97.620 80.949 534 2HB LEU 76 2HB LEU 76 46.021 95.969 80.812 535 HG LEU 76 HG LEU 76 44.512 95.639 78.836 536 1HD1 LEU 76 1HD1 LEU 76 43.275 97.939 79.755 537 2HD1 LEU 76 2HD1 LEU 76 43.037 97.225 78.161 538 3HD1 LEU 76 3HD1 LEU 76 44.204 98.529 78.376 539 1HD2 LEU 76 1HD2 LEU 76 46.093 96.486 77.378 540 2HD2 LEU 76 2HD2 LEU 76 46.993 96.636 78.887 541 3HD2 LEU 76 3HD2 LEU 76 46.173 98.041 78.205 542 H ARG 77 H ARG 77 42.367 94.207 80.861 543 HA ARG 77 HA ARG 77 43.710 92.147 82.500 544 1HB ARG 77 1HB ARG 77 41.148 92.556 81.030 545 2HB ARG 77 2HB ARG 77 41.699 90.887 81.195 546 1HG ARG 77 1HG ARG 77 42.123 91.748 83.723 547 2HG ARG 77 2HG ARG 77 40.769 92.788 83.281 548 1HD ARG 77 1HD ARG 77 40.572 89.874 82.603 549 2HD ARG 77 2HD ARG 77 40.317 90.370 84.288 550 HE ARG 77 HE ARG 77 38.826 91.652 82.028 551 1HH1 ARG 77 2HH1 ARG 77 38.289 89.225 84.168 552 2HH1 ARG 77 1HH1 ARG 77 36.981 89.976 85.019 553 1HH2 ARG 77 1HH2 ARG 77 37.458 93.081 83.553 554 2HH2 ARG 77 2HH2 ARG 77 36.509 92.159 84.671 555 HA PRO 78 HA PRO 78 46.156 90.381 79.312 556 1HB PRO 78 1HB PRO 78 45.512 87.718 79.300 557 2HB PRO 78 2HB PRO 78 46.553 88.456 80.534 558 1HG PRO 78 1HG PRO 78 43.665 87.751 80.671 559 2HG PRO 78 2HG PRO 78 44.930 87.581 81.900 560 1HD PRO 78 1HD PRO 78 43.109 89.591 81.927 561 2HD PRO 78 2HD PRO 78 44.751 89.763 82.580 562 H GLY 79 H GLY 79 45.828 90.576 77.186 563 1HA GLY 79 1HA GLY 79 44.872 90.083 75.048 564 2HA GLY 79 2HA GLY 79 43.528 89.288 75.862 565 H GLU 80 H GLU 80 43.394 91.898 77.617 566 HA GLU 80 HA GLU 80 41.484 93.276 75.826 567 1HB GLU 80 1HB GLU 80 40.985 92.650 78.205 568 2HB GLU 80 2HB GLU 80 42.257 93.754 78.725 569 1HG GLU 80 1HG GLU 80 41.080 95.644 77.717 570 2HG GLU 80 2HG GLU 80 39.837 94.564 77.086 571 H ALA 81 H ALA 81 41.561 95.716 75.765 572 HA ALA 81 HA ALA 81 44.281 96.870 76.100 573 1HB ALA 81 1HB ALA 81 42.670 96.769 73.529 574 2HB ALA 81 2HB ALA 81 44.187 95.926 73.842 575 3HB ALA 81 3HB ALA 81 44.162 97.687 73.736 576 H PHE 82 H PHE 82 44.247 99.189 76.239 577 HA PHE 82 HA PHE 82 41.516 100.402 76.546 578 1HB PHE 82 1HB PHE 82 42.773 100.090 78.656 579 2HB PHE 82 2HB PHE 82 44.136 100.980 77.979 580 HD1 PHE 82 HD1 PHE 82 44.023 103.402 77.636 581 HD2 PHE 82 HD2 PHE 82 40.704 101.230 79.285 582 HE1 PHE 82 HE1 PHE 82 42.985 105.535 78.360 583 HE2 PHE 82 HE2 PHE 82 39.665 103.363 80.006 584 HZ PHE 82 HZ PHE 82 40.807 105.516 79.544 585 H HIS 83 H HIS 83 41.251 102.485 75.532 586 HA HIS 83 HA HIS 83 43.640 103.641 74.163 587 1HB HIS 83 1HB HIS 83 42.308 103.754 72.064 588 2HB HIS 83 2HB HIS 83 42.550 102.094 72.603 589 HD1 HIS 83 HD1 HIS 83 39.911 104.827 72.638 590 HD2 HIS 83 HD2 HIS 83 40.189 100.697 73.124 591 HE1 HIS 83 HE1 HIS 83 37.535 103.959 72.764 592 H TYR 84 H TYR 84 43.590 105.873 74.034 593 HA TYR 84 HA TYR 84 41.061 107.342 74.451 594 1HB TYR 84 1HB TYR 84 41.921 108.515 76.421 595 2HB TYR 84 2HB TYR 84 41.952 106.779 76.712 596 HD1 TYR 84 HD1 TYR 84 43.965 109.798 76.200 597 HD2 TYR 84 HD2 TYR 84 44.087 105.535 76.697 598 HE1 TYR 84 HE1 TYR 84 46.394 109.924 76.684 599 HE2 TYR 84 HE2 TYR 84 46.516 105.660 77.177 600 HH TYR 84 HH TYR 84 48.085 108.452 77.984 601 H THR 85 H THR 85 41.361 109.686 73.982 602 HA THR 85 HA THR 85 43.593 110.105 72.042 603 HB THR 85 HB THR 85 41.001 111.614 72.511 604 HG1 THR 85 HG1 THR 85 41.671 109.742 70.494 605 1HG2 THR 85 1HG2 THR 85 42.933 111.651 70.176 606 2HG2 THR 85 2HG2 THR 85 42.787 112.922 71.389 607 3HG2 THR 85 3HG2 THR 85 41.440 112.580 70.303 608 H SER 86 H SER 86 45.124 111.684 72.386 609 HA SER 86 HA SER 86 44.770 113.470 74.773 610 1HB SER 86 1HB SER 86 46.369 111.785 75.279 611 2HB SER 86 2HB SER 86 47.137 111.936 73.700 612 HG SER 86 HG SER 86 47.589 113.316 75.973 613 H GLY 87 H GLY 87 46.256 115.511 74.537 614 1HA GLY 87 1HA GLY 87 46.806 116.213 71.700 615 2HA GLY 87 2HA GLY 87 45.759 117.277 72.637 616 H VAL 88 H VAL 88 48.804 117.058 71.563 617 HA VAL 88 HA VAL 88 49.933 118.579 73.898 618 HB VAL 88 HB VAL 88 51.223 116.468 72.126 619 1HG1 VAL 88 1HG1 VAL 88 52.970 118.009 72.503 620 2HG1 VAL 88 2HG1 VAL 88 53.156 116.860 73.828 621 3HG1 VAL 88 3HG1 VAL 88 52.383 118.418 74.115 622 1HG2 VAL 88 1HG2 VAL 88 51.158 115.057 73.962 623 2HG2 VAL 88 2HG2 VAL 88 49.680 115.977 74.238 624 3HG2 VAL 88 3HG2 VAL 88 51.151 116.388 75.117 625 H LEU 89 H LEU 89 51.340 120.309 73.293 626 HA LEU 89 HA LEU 89 51.097 121.129 70.426 627 1HB LEU 89 1HB LEU 89 50.028 122.480 72.275 628 2HB LEU 89 2HB LEU 89 51.647 122.807 72.893 629 HG LEU 89 HG LEU 89 51.075 123.356 70.005 630 1HD1 LEU 89 1HD1 LEU 89 50.188 125.041 72.357 631 2HD1 LEU 89 2HD1 LEU 89 49.202 124.455 71.017 632 3HD1 LEU 89 3HD1 LEU 89 50.415 125.704 70.739 633 1HD2 LEU 89 1HD2 LEU 89 52.581 125.397 70.946 634 2HD2 LEU 89 2HD2 LEU 89 53.280 123.872 70.402 635 3HD2 LEU 89 3HD2 LEU 89 53.009 124.154 72.122 636 H LEU 90 H LEU 90 52.983 121.742 69.309 637 HA LEU 90 HA LEU 90 55.578 121.375 70.773 638 1HB LEU 90 1HB LEU 90 54.684 120.639 67.974 639 2HB LEU 90 2HB LEU 90 56.375 120.595 68.478 640 HG LEU 90 HG LEU 90 54.168 119.128 69.943 641 1HD1 LEU 90 1HD1 LEU 90 56.159 117.641 68.315 642 2HD1 LEU 90 2HD1 LEU 90 54.910 118.500 67.415 643 3HD1 LEU 90 3HD1 LEU 90 54.458 117.288 68.613 644 1HD2 LEU 90 1HD2 LEU 90 55.935 119.267 71.439 645 2HD2 LEU 90 2HD2 LEU 90 57.146 119.362 70.161 646 3HD2 LEU 90 3HD2 LEU 90 56.402 117.813 70.557 647 H GLU 91 H GLU 91 57.220 122.938 70.310 648 HA GLU 91 HA GLU 91 56.330 125.525 69.360 649 1HB GLU 91 1HB GLU 91 58.696 126.121 69.819 650 2HB GLU 91 2HB GLU 91 57.990 125.199 71.145 651 1HG GLU 91 1HG GLU 91 59.153 123.225 70.544 652 2HG GLU 91 2HG GLU 91 59.524 123.832 68.932 653 H THR 92 H THR 92 57.908 122.789 67.822 654 HA THR 92 HA THR 92 58.219 124.451 65.342 655 HB THR 92 HB THR 92 60.162 122.935 64.859 656 HG1 THR 92 HG1 THR 92 60.816 121.533 66.442 657 1HG2 THR 92 1HG2 THR 92 61.017 124.852 65.774 658 2HG2 THR 92 2HG2 THR 92 61.428 123.756 67.092 659 3HG2 THR 92 3HG2 THR 92 59.982 124.758 67.198 660 H GLU 93 H GLU 93 58.257 122.993 63.328 661 HA GLU 93 HA GLU 93 55.855 121.299 63.366 662 1HB GLU 93 1HB GLU 93 56.517 123.048 61.645 663 2HB GLU 93 2HB GLU 93 57.756 121.919 61.096 664 1HG GLU 93 1HG GLU 93 56.085 120.255 60.548 665 2HG GLU 93 2HG GLU 93 54.809 121.235 61.270 666 H GLN 94 H GLN 94 58.963 120.545 64.226 667 HA GLN 94 HA GLN 94 58.648 117.770 63.196 668 1HB GLN 94 1HB GLN 94 61.087 117.790 62.645 669 2HB GLN 94 2HB GLN 94 60.174 118.971 61.708 670 1HG GLN 94 1HG GLN 94 60.847 120.749 63.287 671 2HG GLN 94 2HG GLN 94 61.763 119.568 64.223 672 1HE2 GLN 94 1HE2 GLN 94 62.913 121.907 62.846 673 2HE2 GLN 94 2HE2 GLN 94 63.994 121.304 61.685 674 H GLY 95 H GLY 95 59.565 116.160 64.697 675 1HA GLY 95 1HA GLY 95 61.292 116.778 66.852 676 2HA GLY 95 2HA GLY 95 59.652 116.986 67.449 677 H GLN 96 H GLN 96 61.432 115.130 68.480 678 HA GLN 96 HA GLN 96 60.211 112.488 67.693 679 1HB GLN 96 1HB GLN 96 62.379 111.527 68.409 680 2HB GLN 96 2HB GLN 96 62.595 112.690 67.104 681 1HG GLN 96 1HG GLN 96 63.224 114.423 68.754 682 2HG GLN 96 2HG GLN 96 63.013 113.255 70.057 683 1HE2 GLN 96 1HE2 GLN 96 65.173 112.933 70.730 684 2HE2 GLN 96 2HE2 GLN 96 66.412 112.401 69.701 685 H MET 97 H MET 97 59.098 111.502 69.339 686 HA MET 97 HA MET 97 59.577 112.482 72.140 687 1HB MET 97 1HB MET 97 57.517 113.352 71.084 688 2HB MET 97 2HB MET 97 56.989 111.701 70.758 689 1HG MET 97 1HG MET 97 57.035 111.232 73.202 690 2HG MET 97 2HG MET 97 57.477 112.912 73.493 691 1HE MET 97 1HE MET 97 56.484 114.706 72.436 692 2HE MET 97 2HE MET 97 54.823 115.074 72.892 693 3HE MET 97 3HE MET 97 55.184 114.559 71.246 694 H GLN 98 H GLN 98 60.222 110.826 73.495 695 HA GLN 98 HA GLN 98 59.285 108.029 72.912 696 1HB GLN 98 1HB GLN 98 61.898 109.006 74.133 697 2HB GLN 98 2HB GLN 98 61.485 107.334 73.762 698 1HG GLN 98 1HG GLN 98 62.561 107.730 71.798 699 2HG GLN 98 2HG GLN 98 61.064 108.538 71.337 700 1HE2 GLN 98 1HE2 GLN 98 64.423 109.051 72.208 701 2HE2 GLN 98 2HE2 GLN 98 64.424 110.734 71.983 702 H GLY 99 H GLY 99 58.625 106.867 74.874 703 1HA GLY 99 1HA GLY 99 59.034 108.143 77.481 704 2HA GLY 99 2HA GLY 99 57.377 108.295 76.907 705 H HIS 100 H HIS 100 57.548 106.984 79.177 706 HA HIS 100 HA HIS 100 57.065 104.153 78.397 707 1HB HIS 100 1HB HIS 100 58.362 103.432 80.395 708 2HB HIS 100 2HB HIS 100 59.360 104.301 79.232 709 HD1 HIS 100 HD1 HIS 100 60.009 106.786 79.843 710 HD2 HIS 100 HD2 HIS 100 58.090 104.694 82.896 711 HE1 HIS 100 HE1 HIS 100 60.385 108.113 81.966 712 H TYR 101 H TYR 101 55.682 103.014 79.924 713 HA TYR 101 HA TYR 101 53.997 104.852 81.584 714 1HB TYR 101 1HB TYR 101 53.441 102.467 79.829 715 2HB TYR 101 2HB TYR 101 52.305 102.892 81.104 716 HD1 TYR 101 HD1 TYR 101 52.435 105.879 81.056 717 HD2 TYR 101 HD2 TYR 101 52.350 103.027 77.838 718 HE1 TYR 101 HE1 TYR 101 51.437 107.587 79.569 719 HE2 TYR 101 HE2 TYR 101 51.350 104.742 76.353 720 HH TYR 101 HH TYR 101 49.812 107.157 77.113 721 H ASP 102 H ASP 102 53.945 104.329 83.820 722 HA ASP 102 HA ASP 102 55.339 101.892 84.741 723 1HB ASP 102 1HB ASP 102 55.513 104.184 85.813 724 2HB ASP 102 2HB ASP 102 53.812 104.040 86.259 725 H MET 103 H MET 103 54.341 100.032 85.004 726 HA MET 103 HA MET 103 51.353 99.972 85.388 727 1HB MET 103 1HB MET 103 53.230 98.089 83.929 728 2HB MET 103 2HB MET 103 51.486 97.867 84.084 729 1HG MET 103 1HG MET 103 51.163 100.083 82.954 730 2HG MET 103 2HG MET 103 52.906 100.152 82.688 731 1HE MET 103 1HE MET 103 51.103 100.679 80.798 732 2HE MET 103 2HE MET 103 50.340 99.464 79.775 733 3HE MET 103 3HE MET 103 52.000 99.961 79.454 734 H VAL 104 H VAL 104 50.601 98.052 86.602 735 HA VAL 104 HA VAL 104 52.666 96.752 88.326 736 HB VAL 104 HB VAL 104 51.094 97.219 90.277 737 1HG1 VAL 104 1HG1 VAL 104 53.216 98.472 89.787 738 2HG1 VAL 104 2HG1 VAL 104 52.012 99.413 90.667 739 3HG1 VAL 104 3HG1 VAL 104 52.246 99.677 88.939 740 1HG2 VAL 104 1HG2 VAL 104 49.083 97.789 88.993 741 2HG2 VAL 104 2HG2 VAL 104 49.913 99.164 88.267 742 3HG2 VAL 104 3HG2 VAL 104 49.563 99.158 89.995 743 H ALA 105 H ALA 105 52.249 94.576 88.439 744 HA ALA 105 HA ALA 105 49.860 93.392 87.234 745 1HB ALA 105 1HB ALA 105 52.208 92.352 88.849 746 2HB ALA 105 2HB ALA 105 52.003 92.278 87.099 747 3HB ALA 105 3HB ALA 105 50.978 91.301 88.150 748 H ASP 106 H ASP 106 48.506 91.802 88.511 749 HA ASP 106 HA ASP 106 47.242 93.091 90.746 750 1HB ASP 106 1HB ASP 106 46.283 91.404 89.116 751 2HB ASP 106 2HB ASP 106 47.184 90.157 89.977 752 H ASP 107 H ASP 107 49.810 90.675 90.523 753 HA ASP 107 HA ASP 107 49.785 89.897 93.309 754 1HB ASP 107 1HB ASP 107 51.810 89.747 91.064 755 2HB ASP 107 2HB ASP 107 52.076 89.009 92.644 756 H GLY 108 H GLY 108 50.860 92.774 91.755 757 1HA GLY 108 1HA GLY 108 51.564 94.666 93.127 758 2HA GLY 108 2HA GLY 108 52.335 93.527 94.229 759 H THR 109 H THR 109 53.170 92.258 91.348 760 HA THR 109 HA THR 109 55.895 93.009 91.441 761 HB THR 109 HB THR 109 54.219 92.135 89.064 762 HG1 THR 109 HG1 THR 109 55.543 90.702 91.120 763 1HG2 THR 109 1HG2 THR 109 57.169 92.220 89.633 764 2HG2 THR 109 2HG2 THR 109 56.306 92.698 88.171 765 3HG2 THR 109 3HG2 THR 109 56.513 90.989 88.554 766 H GLU 110 H GLU 110 57.002 94.805 90.622 767 HA GLU 110 HA GLU 110 55.361 96.897 89.280 768 1HB GLU 110 1HB GLU 110 56.588 97.403 91.378 769 2HB GLU 110 2HB GLU 110 58.103 96.982 90.580 770 1HG GLU 110 1HG GLU 110 57.736 98.777 88.925 771 2HG GLU 110 2HG GLU 110 56.223 99.203 89.722 772 H PHE 111 H PHE 111 55.863 97.645 87.237 773 HA PHE 111 HA PHE 111 58.398 97.145 85.904 774 1HB PHE 111 1HB PHE 111 57.590 95.499 84.301 775 2HB PHE 111 2HB PHE 111 57.292 94.887 85.925 776 HD1 PHE 111 HD1 PHE 111 55.754 96.228 82.861 777 HD2 PHE 111 HD2 PHE 111 55.017 94.772 86.835 778 HE1 PHE 111 HE1 PHE 111 53.345 95.995 82.328 779 HE2 PHE 111 HE2 PHE 111 52.607 94.544 86.301 780 HZ PHE 111 HZ PHE 111 51.770 95.153 84.049 781 H ILE 112 H ILE 112 58.575 98.359 84.013 782 HA ILE 112 HA ILE 112 56.340 100.272 83.526 783 HB ILE 112 HB ILE 112 58.154 101.648 82.533 784 1HG1 ILE 112 1HG1 ILE 112 60.090 99.528 83.479 785 2HG1 ILE 112 2HG1 ILE 112 59.475 99.534 81.826 786 1HG2 ILE 112 1HG2 ILE 112 59.524 101.854 84.672 787 2HG2 ILE 112 2HG2 ILE 112 58.609 100.477 85.285 788 3HG2 ILE 112 3HG2 ILE 112 57.775 101.975 84.872 789 1HD1 ILE 112 1HD1 ILE 112 61.689 100.785 82.260 790 2HD1 ILE 112 2HD1 ILE 112 60.697 102.002 83.062 791 3HD1 ILE 112 3HD1 ILE 112 60.444 101.644 81.354 792 H ALA 113 H ALA 113 55.872 100.874 81.281 793 HA ALA 113 HA ALA 113 56.450 98.691 79.304 794 1HB ALA 113 1HB ALA 113 53.994 100.240 80.074 795 2HB ALA 113 2HB ALA 113 54.154 98.522 79.711 796 3HB ALA 113 3HB ALA 113 54.156 99.704 78.402 797 HA PRO 114 HA PRO 114 58.470 102.482 77.730 798 1HB PRO 114 1HB PRO 114 59.905 101.213 75.794 799 2HB PRO 114 2HB PRO 114 60.442 101.311 77.483 800 1HG PRO 114 1HG PRO 114 59.109 99.068 76.049 801 2HG PRO 114 2HG PRO 114 60.441 99.029 77.216 802 1HD PRO 114 1HD PRO 114 57.897 98.423 77.891 803 2HD PRO 114 2HD PRO 114 59.040 99.170 79.027 804 H ILE 115 H ILE 115 57.959 103.719 76.051 805 HA ILE 115 HA ILE 115 55.985 102.685 74.036 806 HB ILE 115 HB ILE 115 56.596 105.510 74.976 807 1HG1 ILE 115 1HG1 ILE 115 54.208 103.775 75.668 808 2HG1 ILE 115 2HG1 ILE 115 55.609 103.953 76.726 809 1HG2 ILE 115 1HG2 ILE 115 54.314 105.909 73.915 810 2HG2 ILE 115 2HG2 ILE 115 54.475 104.310 73.188 811 3HG2 ILE 115 3HG2 ILE 115 55.633 105.579 72.791 812 1HD1 ILE 115 1HD1 ILE 115 55.191 106.517 76.428 813 2HD1 ILE 115 2HD1 ILE 115 54.161 105.610 77.535 814 3HD1 ILE 115 3HD1 ILE 115 53.577 106.021 75.922 815 H ALA 116 H ALA 116 56.816 102.409 72.037 816 HA ALA 116 HA ALA 116 59.423 102.870 71.164 817 1HB ALA 116 1HB ALA 116 58.348 102.753 68.871 818 2HB ALA 116 2HB ALA 116 56.784 102.829 69.682 819 3HB ALA 116 3HB ALA 116 57.866 101.468 69.979 820 H ALA 117 H ALA 117 60.367 104.490 69.756 821 HA ALA 117 HA ALA 117 59.419 107.228 70.315 822 1HB ALA 117 1HB ALA 117 61.794 106.367 70.553 823 2HB ALA 117 2HB ALA 117 61.636 107.811 69.553 824 3HB ALA 117 3HB ALA 117 61.844 106.232 68.797 825 H PHE 118 H PHE 118 58.081 108.212 68.867 826 HA PHE 118 HA PHE 118 58.224 107.401 65.985 827 1HB PHE 118 1HB PHE 118 55.880 108.236 65.902 828 2HB PHE 118 2HB PHE 118 56.071 106.952 67.092 829 HD1 PHE 118 HD1 PHE 118 55.914 107.405 69.479 830 HD2 PHE 118 HD2 PHE 118 55.576 110.572 66.597 831 HE1 PHE 118 HE1 PHE 118 55.029 108.912 71.238 832 HE2 PHE 118 HE2 PHE 118 54.691 112.078 68.357 833 HZ PHE 118 HZ PHE 118 54.417 111.247 70.676 834 H VAL 119 H VAL 119 57.889 109.292 64.441 835 HA VAL 119 HA VAL 119 59.084 111.779 65.610 836 HB VAL 119 HB VAL 119 60.536 110.494 64.086 837 1HG1 VAL 119 1HG1 VAL 119 59.820 110.384 61.648 838 2HG1 VAL 119 2HG1 VAL 119 58.198 110.814 62.191 839 3HG1 VAL 119 3HG1 VAL 119 58.942 109.313 62.740 840 1HG2 VAL 119 1HG2 VAL 119 61.029 112.299 62.481 841 2HG2 VAL 119 2HG2 VAL 119 60.672 112.967 64.074 842 3HG2 VAL 119 3HG2 VAL 119 59.453 113.022 62.801 843 H LEU 120 H LEU 120 58.339 113.795 64.747 844 HA LEU 120 HA LEU 120 55.605 113.675 63.511 845 1HB LEU 120 1HB LEU 120 56.945 115.610 65.426 846 2HB LEU 120 2HB LEU 120 55.414 115.965 64.633 847 HG LEU 120 HG LEU 120 54.543 113.776 65.603 848 1HD1 LEU 120 1HD1 LEU 120 56.042 113.446 67.870 849 2HD1 LEU 120 2HD1 LEU 120 57.292 113.812 66.682 850 3HD1 LEU 120 3HD1 LEU 120 56.202 112.452 66.424 851 1HD2 LEU 120 1HD2 LEU 120 53.759 114.905 67.460 852 2HD2 LEU 120 2HD2 LEU 120 54.425 116.268 66.561 853 3HD2 LEU 120 3HD2 LEU 120 55.351 115.542 67.875 854 H SER 121 H SER 121 55.390 114.660 61.537 855 HA SER 121 HA SER 121 57.251 116.807 60.701 856 1HB SER 121 1HB SER 121 57.181 113.994 59.650 857 2HB SER 121 2HB SER 121 57.586 115.309 58.551 858 HG SER 121 HG SER 121 59.492 115.247 59.413 Start of MODEL 2 1 H ARG 6 1H ARG 6 55.826 87.441 80.942 2 HA ARG 6 HA ARG 6 53.590 86.360 81.850 3 1HB ARG 6 1HB ARG 6 55.317 86.932 84.279 4 2HB ARG 6 2HB ARG 6 53.607 86.507 84.368 5 1HG ARG 6 1HG ARG 6 54.070 84.381 83.205 6 2HG ARG 6 2HG ARG 6 55.781 84.801 83.119 7 1HD ARG 6 1HD ARG 6 55.896 84.863 85.593 8 2HD ARG 6 2HD ARG 6 54.180 84.416 85.675 9 HE ARG 6 HE ARG 6 55.734 82.603 84.000 10 1HH1 ARG 6 1HH2 ARG 6 57.118 82.618 86.678 11 2HH1 ARG 6 2HH2 ARG 6 56.270 81.367 87.522 12 1HH2 ARG 6 2HH1 ARG 6 53.602 81.317 85.308 13 2HH2 ARG 6 1HH1 ARG 6 54.280 80.629 86.745 14 H TYR 7 H TYR 7 55.646 89.154 82.237 15 HA TYR 7 HA TYR 7 53.205 90.866 82.533 16 1HB TYR 7 1HB TYR 7 55.986 91.049 83.695 17 2HB TYR 7 2HB TYR 7 54.911 92.448 83.648 18 HD1 TYR 7 HD1 TYR 7 56.030 90.156 85.860 19 HD2 TYR 7 HD2 TYR 7 52.280 91.453 84.206 20 HE1 TYR 7 HE1 TYR 7 54.842 89.312 87.868 21 HE2 TYR 7 HE2 TYR 7 51.102 90.605 86.216 22 HH TYR 7 HH TYR 7 51.915 88.545 88.085 23 H ARG 8 H ARG 8 52.916 91.442 80.380 24 HA ARG 8 HA ARG 8 55.045 93.081 79.066 25 1HB ARG 8 1HB ARG 8 53.662 90.591 78.041 26 2HB ARG 8 2HB ARG 8 54.403 91.761 76.951 27 1HG ARG 8 1HG ARG 8 55.891 90.460 79.246 28 2HG ARG 8 2HG ARG 8 55.906 89.831 77.599 29 1HD ARG 8 1HD ARG 8 56.778 92.041 76.801 30 2HD ARG 8 2HD ARG 8 56.880 92.568 78.493 31 HE ARG 8 HE ARG 8 58.311 90.124 77.514 32 1HH1 ARG 8 2HH1 ARG 8 57.915 91.579 80.372 33 2HH1 ARG 8 1HH1 ARG 8 59.555 92.079 80.615 34 1HH2 ARG 8 1HH2 ARG 8 60.522 91.403 77.355 35 2HH2 ARG 8 2HH2 ARG 8 61.032 91.978 78.906 36 H VAL 9 H VAL 9 54.229 94.785 77.985 37 HA VAL 9 HA VAL 9 51.363 94.929 77.201 38 HB VAL 9 HB VAL 9 52.726 96.805 79.173 39 1HG1 VAL 9 1HG1 VAL 9 50.508 97.882 79.307 40 2HG1 VAL 9 2HG1 VAL 9 49.895 96.777 78.078 41 3HG1 VAL 9 3HG1 VAL 9 51.142 97.953 77.663 42 1HG2 VAL 9 1HG2 VAL 9 52.139 94.848 80.385 43 2HG2 VAL 9 2HG2 VAL 9 50.642 94.638 79.478 44 3HG2 VAL 9 3HG2 VAL 9 50.787 95.950 80.647 45 H GLU 10 H GLU 10 51.548 95.584 75.125 46 HA GLU 10 HA GLU 10 53.679 97.555 74.317 47 1HB GLU 10 1HB GLU 10 53.582 95.293 73.244 48 2HB GLU 10 2HB GLU 10 51.924 95.638 72.748 49 1HG GLU 10 1HG GLU 10 52.711 97.599 71.470 50 2HG GLU 10 2HG GLU 10 54.368 97.255 71.962 51 H VAL 11 H VAL 11 53.063 99.542 73.853 52 HA VAL 11 HA VAL 11 50.155 100.084 73.353 53 HB VAL 11 HB VAL 11 52.320 101.808 74.609 54 1HG1 VAL 11 1HG1 VAL 11 50.798 103.325 73.651 55 2HG1 VAL 11 2HG1 VAL 11 50.177 103.126 75.289 56 3HG1 VAL 11 3HG1 VAL 11 49.416 102.270 73.948 57 1HG2 VAL 11 1HG2 VAL 11 50.586 101.480 76.588 58 2HG2 VAL 11 2HG2 VAL 11 51.822 100.263 76.277 59 3HG2 VAL 11 3HG2 VAL 11 50.175 100.014 75.698 60 H GLU 12 H GLU 12 49.658 101.299 71.503 61 HA GLU 12 HA GLU 12 51.961 102.204 69.796 62 1HB GLU 12 1HB GLU 12 49.276 100.945 69.164 63 2HB GLU 12 2HB GLU 12 50.323 101.654 67.934 64 1HG GLU 12 1HG GLU 12 52.135 100.110 68.579 65 2HG GLU 12 2HG GLU 12 51.090 99.396 69.807 66 H VAL 13 H VAL 13 51.856 104.309 69.094 67 HA VAL 13 HA VAL 13 49.310 105.835 69.544 68 HB VAL 13 HB VAL 13 52.176 106.699 70.061 69 1HG1 VAL 13 1HG1 VAL 13 49.514 108.094 70.215 70 2HG1 VAL 13 2HG1 VAL 13 51.029 108.672 69.523 71 3HG1 VAL 13 3HG1 VAL 13 50.835 108.589 71.275 72 1HG2 VAL 13 1HG2 VAL 13 51.201 106.816 72.470 73 2HG2 VAL 13 2HG2 VAL 13 51.632 105.231 71.828 74 3HG2 VAL 13 3HG2 VAL 13 49.945 105.742 71.853 75 H SER 14 H SER 14 48.694 107.146 67.875 76 HA SER 14 HA SER 14 50.610 107.446 65.587 77 1HB SER 14 1HB SER 14 47.612 106.981 65.589 78 2HB SER 14 2HB SER 14 48.596 107.207 64.147 79 HG SER 14 HG SER 14 48.310 105.001 64.599 80 HA PRO 15 HA PRO 15 49.303 111.691 66.544 81 1HB PRO 15 1HB PRO 15 51.603 112.923 65.771 82 2HB PRO 15 2HB PRO 15 51.419 112.164 67.365 83 1HG PRO 15 1HG PRO 15 52.792 111.148 64.933 84 2HG PRO 15 2HG PRO 15 53.256 111.007 66.636 85 1HD PRO 15 1HD PRO 15 52.098 108.990 65.218 86 2HD PRO 15 2HD PRO 15 51.943 109.171 66.978 87 H ARG 16 H ARG 16 49.077 113.618 65.166 88 HA ARG 16 HA ARG 16 49.475 113.334 62.252 89 1HB ARG 16 1HB ARG 16 47.031 113.478 61.817 90 2HB ARG 16 2HB ARG 16 47.444 112.009 62.700 91 1HG ARG 16 1HG ARG 16 46.867 113.220 64.832 92 2HG ARG 16 2HG ARG 16 46.274 114.558 63.848 93 1HD ARG 16 1HD ARG 16 44.668 113.015 62.739 94 2HD ARG 16 2HD ARG 16 45.234 111.701 63.789 95 HE ARG 16 HE ARG 16 44.641 113.525 65.661 96 1HH1 ARG 16 2HH1 ARG 16 43.069 115.052 63.554 97 2HH1 ARG 16 1HH1 ARG 16 41.469 114.443 63.817 98 1HH2 ARG 16 1HH2 ARG 16 42.528 111.712 65.672 99 2HH2 ARG 16 2HH2 ARG 16 41.163 112.551 65.016 100 H PHE 17 H PHE 17 49.806 115.302 61.412 101 HA PHE 17 HA PHE 17 49.983 117.684 62.945 102 1HB PHE 17 1HB PHE 17 51.133 117.165 60.810 103 2HB PHE 17 2HB PHE 17 49.596 117.322 59.960 104 HD1 PHE 17 HD1 PHE 17 51.937 119.193 62.199 105 HD2 PHE 17 HD2 PHE 17 48.853 119.430 59.218 106 HE1 PHE 17 HE1 PHE 17 52.270 121.644 62.049 107 HE2 PHE 17 HE2 PHE 17 49.187 121.883 59.069 108 HZ PHE 17 HZ PHE 17 50.896 122.990 60.484 109 H LEU 18 H LEU 18 48.538 119.358 63.334 110 HA LEU 18 HA LEU 18 45.745 119.098 62.233 111 1HB LEU 18 1HB LEU 18 46.831 120.131 64.873 112 2HB LEU 18 2HB LEU 18 45.148 120.302 64.378 113 HG LEU 18 HG LEU 18 46.601 117.650 64.587 114 1HD1 LEU 18 1HD1 LEU 18 46.367 118.086 66.824 115 2HD1 LEU 18 2HD1 LEU 18 44.704 117.585 66.522 116 3HD1 LEU 18 3HD1 LEU 18 45.114 119.299 66.561 117 1HD2 LEU 18 1HD2 LEU 18 43.791 118.511 63.918 118 2HD2 LEU 18 2HD2 LEU 18 44.094 116.919 64.614 119 3HD2 LEU 18 3HD2 LEU 18 44.824 117.360 63.071 120 H ALA 19 H ALA 19 46.521 120.326 60.399 121 HA ALA 19 HA ALA 19 47.499 123.060 60.500 122 1HB ALA 19 1HB ALA 19 47.243 122.904 58.213 123 2HB ALA 19 2HB ALA 19 45.729 122.007 58.337 124 3HB ALA 19 3HB ALA 19 47.266 121.189 58.626 125 H HIS 20 H HIS 20 44.215 121.664 60.456 126 HA HIS 20 HA HIS 20 42.864 124.182 60.051 127 1HB HIS 20 1HB HIS 20 42.002 121.835 59.637 128 2HB HIS 20 2HB HIS 20 41.833 121.659 61.384 129 HD1 HIS 20 HD1 HIS 20 40.820 124.328 58.832 130 HD2 HIS 20 HD2 HIS 20 39.269 122.312 62.136 131 HE1 HIS 20 HE1 HIS 20 38.470 125.208 59.171 132 H GLN 21 H GLN 21 44.179 122.625 62.897 133 HA GLN 21 HA GLN 21 42.906 124.747 64.598 134 1HB GLN 21 1HB GLN 21 43.665 121.865 65.132 135 2HB GLN 21 2HB GLN 21 43.207 122.988 66.413 136 1HG GLN 21 1HG GLN 21 41.042 123.385 65.297 137 2HG GLN 21 2HG GLN 21 41.496 122.259 64.017 138 1HE2 GLN 21 1HE2 GLN 21 39.375 122.193 66.332 139 2HE2 GLN 21 2HE2 GLN 21 39.600 120.652 67.006 140 H SER 22 H SER 22 45.501 124.983 63.157 141 HA SER 22 HA SER 22 47.158 125.674 65.499 142 1HB SER 22 1HB SER 22 48.925 124.177 64.991 143 2HB SER 22 2HB SER 22 47.466 123.205 64.825 144 HG SER 22 HG SER 22 47.623 123.350 62.640 145 H THR 23 H THR 23 48.754 127.240 64.986 146 HA THR 23 HA THR 23 48.751 128.240 62.152 147 HB THR 23 HB THR 23 47.592 129.757 63.681 148 HG1 THR 23 HG1 THR 23 50.217 130.723 63.247 149 1HG2 THR 23 1HG2 THR 23 49.641 130.658 65.408 150 2HG2 THR 23 2HG2 THR 23 49.643 128.901 65.520 151 3HG2 THR 23 3HG2 THR 23 48.167 129.801 65.853 152 HA PRO 24 HA PRO 24 52.982 126.812 63.127 153 1HB PRO 24 1HB PRO 24 53.761 126.467 60.531 154 2HB PRO 24 2HB PRO 24 52.859 125.239 61.442 155 1HG PRO 24 1HG PRO 24 51.873 127.209 59.444 156 2HG PRO 24 2HG PRO 24 51.426 125.510 59.673 157 1HD PRO 24 1HD PRO 24 49.897 127.571 60.545 158 2HD PRO 24 2HD PRO 24 49.941 125.987 61.346 159 H ASP 25 H ASP 25 51.803 129.364 61.023 160 HA ASP 25 HA ASP 25 54.326 130.579 60.405 161 1HB ASP 25 1HB ASP 25 52.077 130.961 59.305 162 2HB ASP 25 2HB ASP 25 51.613 131.909 60.718 163 H GLU 26 H GLU 26 52.403 130.606 63.319 164 HA GLU 26 HA GLU 26 54.015 132.880 64.410 165 1HB GLU 26 1HB GLU 26 51.420 131.532 65.200 166 2HB GLU 26 2HB GLU 26 52.201 132.765 66.192 167 1HG GLU 26 1HG GLU 26 51.420 133.161 63.290 168 2HG GLU 26 2HG GLU 26 50.445 133.695 64.661 169 H GLY 27 H GLY 27 54.830 129.910 64.109 170 1HA GLY 27 1HA GLY 27 56.155 128.433 65.360 171 2HA GLY 27 2HA GLY 27 56.241 129.678 66.606 172 H ARG 28 H ARG 28 53.166 128.482 65.460 173 HA ARG 28 HA ARG 28 52.789 127.051 68.073 174 1HB ARG 28 1HB ARG 28 51.284 129.137 66.621 175 2HB ARG 28 2HB ARG 28 50.285 127.824 67.247 176 1HG ARG 28 1HG ARG 28 51.352 128.137 69.486 177 2HG ARG 28 2HG ARG 28 52.228 129.524 68.840 178 1HD ARG 28 1HD ARG 28 49.344 129.662 68.287 179 2HD ARG 28 2HD ARG 28 49.722 129.647 70.021 180 HE ARG 28 HE ARG 28 50.933 131.579 68.077 181 1HH1 ARG 28 2HH1 ARG 28 48.687 131.990 70.265 182 2HH1 ARG 28 1HH1 ARG 28 49.601 132.885 71.433 183 1HH2 ARG 28 1HH2 ARG 28 52.667 132.137 69.995 184 2HH2 ARG 28 2HH2 ARG 28 51.855 132.969 71.280 185 H TYR 29 H TYR 29 53.228 124.951 67.222 186 HA TYR 29 HA TYR 29 51.519 124.005 64.950 187 1HB TYR 29 1HB TYR 29 53.939 122.765 66.313 188 2HB TYR 29 2HB TYR 29 53.172 122.190 64.835 189 HD1 TYR 29 HD1 TYR 29 55.104 124.982 66.334 190 HD2 TYR 29 HD2 TYR 29 53.627 123.211 62.711 191 HE1 TYR 29 HE1 TYR 29 56.540 126.505 65.006 192 HE2 TYR 29 HE2 TYR 29 55.062 124.736 61.382 193 HH TYR 29 HH TYR 29 57.495 126.093 62.139 194 H ALA 30 H ALA 30 49.928 122.517 65.370 195 HA ALA 30 HA ALA 30 49.720 121.520 68.185 196 1HB ALA 30 1HB ALA 30 47.378 121.589 66.331 197 2HB ALA 30 2HB ALA 30 48.023 123.133 66.888 198 3HB ALA 30 3HB ALA 30 47.448 121.944 68.057 199 H PHE 31 H PHE 31 50.085 119.348 68.388 200 HA PHE 31 HA PHE 31 49.477 117.561 66.050 201 1HB PHE 31 1HB PHE 31 51.534 117.427 68.277 202 2HB PHE 31 2HB PHE 31 51.242 116.105 67.148 203 HD1 PHE 31 HD1 PHE 31 52.447 119.586 67.480 204 HD2 PHE 31 HD2 PHE 31 51.970 116.224 64.850 205 HE1 PHE 31 HE1 PHE 31 53.948 120.664 65.828 206 HE2 PHE 31 HE2 PHE 31 53.470 117.305 63.196 207 HZ PHE 31 HZ PHE 31 54.459 119.526 63.685 208 H ALA 32 H ALA 32 47.922 115.967 66.444 209 HA ALA 32 HA ALA 32 47.082 115.512 69.291 210 1HB ALA 32 1HB ALA 32 45.222 116.401 68.197 211 2HB ALA 32 2HB ALA 32 44.986 114.685 67.871 212 3HB ALA 32 3HB ALA 32 45.695 115.726 66.638 213 H TYR 33 H TYR 33 47.364 113.395 70.022 214 HA TYR 33 HA TYR 33 47.870 111.317 67.914 215 1HB TYR 33 1HB TYR 33 49.620 110.419 69.403 216 2HB TYR 33 2HB TYR 33 49.941 112.094 68.972 217 HD1 TYR 33 HD1 TYR 33 48.922 109.801 71.665 218 HD2 TYR 33 HD2 TYR 33 49.729 113.888 70.619 219 HE1 TYR 33 HE1 TYR 33 49.010 110.400 74.070 220 HE2 TYR 33 HE2 TYR 33 49.814 114.485 73.023 221 HH TYR 33 HH TYR 33 50.151 112.274 75.453 222 H SER 34 H SER 34 47.054 109.241 68.324 223 HA SER 34 HA SER 34 45.067 109.047 70.546 224 1HB SER 34 1HB SER 34 44.317 108.720 68.211 225 2HB SER 34 2HB SER 34 45.511 107.444 68.001 226 HG SER 34 HG SER 34 43.139 107.481 69.497 227 H ILE 35 H ILE 35 45.286 107.429 72.096 228 HA ILE 35 HA ILE 35 47.873 105.897 72.124 229 HB ILE 35 HB ILE 35 45.865 106.661 74.259 230 1HG1 ILE 35 1HG1 ILE 35 47.048 108.607 73.320 231 2HG1 ILE 35 2HG1 ILE 35 47.620 108.277 74.951 232 1HG2 ILE 35 1HG2 ILE 35 46.940 104.785 75.147 233 2HG2 ILE 35 2HG2 ILE 35 47.992 106.092 75.694 234 3HG2 ILE 35 3HG2 ILE 35 48.447 105.120 74.294 235 1HD1 ILE 35 1HD1 ILE 35 49.031 107.924 72.339 236 2HD1 ILE 35 2HD1 ILE 35 49.410 106.795 73.640 237 3HD1 ILE 35 3HD1 ILE 35 49.652 108.525 73.876 238 H ARG 36 H ARG 36 47.856 103.757 71.937 239 HA ARG 36 HA ARG 36 45.281 102.247 72.302 240 1HB ARG 36 1HB ARG 36 47.569 101.951 70.333 241 2HB ARG 36 2HB ARG 36 46.299 100.741 70.521 242 1HG ARG 36 1HG ARG 36 44.593 102.441 69.984 243 2HG ARG 36 2HG ARG 36 45.862 103.652 69.791 244 1HD ARG 36 1HD ARG 36 46.858 102.309 67.955 245 2HD ARG 36 2HD ARG 36 45.544 101.129 68.125 246 HE ARG 36 HE ARG 36 44.029 103.248 67.779 247 1HH1 ARG 36 2HH1 ARG 36 45.160 101.789 65.328 248 2HH1 ARG 36 1HH1 ARG 36 45.725 103.128 64.387 249 1HH2 ARG 36 1HH2 ARG 36 45.605 105.377 67.023 250 2HH2 ARG 36 2HH2 ARG 36 45.977 105.159 65.345 251 H ILE 37 H ILE 37 45.673 101.490 74.393 252 HA ILE 37 HA ILE 37 48.267 100.245 75.130 253 HB ILE 37 HB ILE 37 45.657 100.678 76.622 254 1HG1 ILE 37 1HG1 ILE 37 48.240 102.256 76.806 255 2HG1 ILE 37 2HG1 ILE 37 46.883 102.749 75.793 256 1HG2 ILE 37 1HG2 ILE 37 48.269 100.423 78.024 257 2HG2 ILE 37 2HG2 ILE 37 47.609 98.941 77.335 258 3HG2 ILE 37 3HG2 ILE 37 46.670 99.859 78.511 259 1HD1 ILE 37 1HD1 ILE 37 46.399 103.903 77.753 260 2HD1 ILE 37 2HD1 ILE 37 47.072 102.639 78.784 261 3HD1 ILE 37 3HD1 ILE 37 45.500 102.410 78.019 262 H GLN 38 H GLN 38 48.569 98.120 74.602 263 HA GLN 38 HA GLN 38 46.207 96.261 74.708 264 1HB GLN 38 1HB GLN 38 47.208 96.693 72.442 265 2HB GLN 38 2HB GLN 38 48.749 96.084 73.048 266 1HG GLN 38 1HG GLN 38 47.776 93.902 73.483 267 2HG GLN 38 2HG GLN 38 46.169 94.492 73.057 268 1HE2 GLN 38 1HE2 GLN 38 49.318 93.560 71.722 269 2HE2 GLN 38 2HE2 GLN 38 48.814 93.520 70.101 270 H ASN 39 H ASN 39 46.381 94.577 76.085 271 HA ASN 39 HA ASN 39 48.841 94.389 77.715 272 1HB ASN 39 1HB ASN 39 46.560 94.578 78.722 273 2HB ASN 39 2HB ASN 39 46.145 93.020 78.010 274 1HD2 ASN 39 1HD2 ASN 39 46.520 93.908 80.943 275 2HD2 ASN 39 2HD2 ASN 39 47.603 92.766 81.578 276 H ALA 40 H ALA 40 50.374 92.893 77.103 277 HA ALA 40 HA ALA 40 49.460 90.378 75.737 278 1HB ALA 40 1HB ALA 40 52.119 91.843 75.613 279 2HB ALA 40 2HB ALA 40 50.847 91.972 74.399 280 3HB ALA 40 3HB ALA 40 51.667 90.432 74.658 281 H GLY 41 H GLY 41 50.120 91.271 78.741 282 1HA GLY 41 1HA GLY 41 52.239 89.352 79.414 283 2HA GLY 41 2HA GLY 41 51.329 90.341 80.559 284 H ALA 42 H ALA 42 51.486 87.984 81.562 285 HA ALA 42 HA ALA 42 49.289 86.259 80.559 286 1HB ALA 42 1HB ALA 42 51.523 85.312 81.033 287 2HB ALA 42 2HB ALA 42 50.307 84.617 82.103 288 3HB ALA 42 3HB ALA 42 51.398 85.866 82.702 289 H VAL 43 H VAL 43 50.300 88.168 83.317 290 HA VAL 43 HA VAL 43 47.751 87.574 84.767 291 HB VAL 43 HB VAL 43 50.394 88.846 85.590 292 1HG1 VAL 43 1HG1 VAL 43 48.180 87.922 87.426 293 2HG1 VAL 43 2HG1 VAL 43 48.303 89.589 86.865 294 3HG1 VAL 43 3HG1 VAL 43 49.598 88.886 87.835 295 1HG2 VAL 43 1HG2 VAL 43 51.019 86.789 86.473 296 2HG2 VAL 43 2HG2 VAL 43 50.113 86.272 85.050 297 3HG2 VAL 43 3HG2 VAL 43 49.351 86.239 86.640 298 HA PRO 44 HA PRO 44 46.062 91.447 83.527 299 1HB PRO 44 1HB PRO 44 44.719 92.189 85.804 300 2HB PRO 44 2HB PRO 44 44.108 90.983 84.651 301 1HG PRO 44 1HG PRO 44 45.594 90.561 87.211 302 2HG PRO 44 2HG PRO 44 44.139 89.742 86.608 303 1HD PRO 44 1HD PRO 44 46.511 88.575 86.402 304 2HD PRO 44 2HD PRO 44 45.333 88.458 85.080 305 H ALA 45 H ALA 45 46.667 93.607 83.659 306 HA ALA 45 HA ALA 45 48.428 94.458 85.937 307 1HB ALA 45 1HB ALA 45 49.957 95.391 84.233 308 2HB ALA 45 2HB ALA 45 48.916 94.753 82.959 309 3HB ALA 45 3HB ALA 45 49.769 93.648 84.039 310 H ARG 46 H ARG 46 48.420 96.678 86.344 311 HA ARG 46 HA ARG 46 46.383 98.331 84.876 312 1HB ARG 46 1HB ARG 46 45.598 97.541 87.077 313 2HB ARG 46 2HB ARG 46 47.057 98.169 87.838 314 1HG ARG 46 1HG ARG 46 46.414 100.463 87.050 315 2HG ARG 46 2HG ARG 46 44.897 99.789 86.459 316 1HD ARG 46 1HD ARG 46 44.607 100.774 88.720 317 2HD ARG 46 2HD ARG 46 44.357 99.019 88.767 318 HE ARG 46 HE ARG 46 47.085 100.076 89.319 319 1HH1 ARG 46 1HH2 ARG 46 44.543 100.069 91.298 320 2HH1 ARG 46 2HH2 ARG 46 45.043 98.774 92.333 321 1HH2 ARG 46 2HH1 ARG 46 47.590 97.721 90.229 322 2HH2 ARG 46 1HH1 ARG 46 46.768 97.445 91.728 323 H LEU 47 H LEU 47 46.904 100.583 84.703 324 HA LEU 47 HA LEU 47 49.820 101.163 84.917 325 1HB LEU 47 1HB LEU 47 48.404 101.446 82.806 326 2HB LEU 47 2HB LEU 47 47.606 102.785 83.631 327 HG LEU 47 HG LEU 47 50.611 102.667 83.414 328 1HD1 LEU 47 1HD1 LEU 47 49.953 102.552 81.128 329 2HD1 LEU 47 2HD1 LEU 47 50.258 104.261 81.438 330 3HD1 LEU 47 3HD1 LEU 47 48.602 103.657 81.384 331 1HD2 LEU 47 1HD2 LEU 47 50.038 104.366 84.898 332 2HD2 LEU 47 2HD2 LEU 47 48.503 104.690 84.093 333 3HD2 LEU 47 3HD2 LEU 47 50.012 105.252 83.373 334 H VAL 48 H VAL 48 50.445 102.212 86.768 335 HA VAL 48 HA VAL 48 48.434 103.845 88.231 336 HB VAL 48 HB VAL 48 49.605 102.022 89.405 337 1HG1 VAL 48 1HG1 VAL 48 51.674 101.807 88.279 338 2HG1 VAL 48 2HG1 VAL 48 52.112 102.450 89.862 339 3HG1 VAL 48 3HG1 VAL 48 52.051 103.519 88.462 340 1HG2 VAL 48 1HG2 VAL 48 48.992 103.857 90.814 341 2HG2 VAL 48 2HG2 VAL 48 50.330 104.844 90.224 342 3HG2 VAL 48 3HG2 VAL 48 50.651 103.445 91.250 343 H ALA 49 H ALA 49 51.445 104.148 86.431 344 HA ALA 49 HA ALA 49 51.265 107.096 86.861 345 1HB ALA 49 1HB ALA 49 52.975 106.804 88.330 346 2HB ALA 49 2HB ALA 49 53.972 106.653 86.884 347 3HB ALA 49 3HB ALA 49 53.368 105.208 87.693 348 H ARG 50 H ARG 50 52.589 108.326 85.302 349 HA ARG 50 HA ARG 50 53.295 106.935 82.733 350 1HB ARG 50 1HB ARG 50 51.911 108.540 81.526 351 2HB ARG 50 2HB ARG 50 50.914 107.690 82.702 352 1HG ARG 50 1HG ARG 50 51.361 109.646 84.286 353 2HG ARG 50 2HG ARG 50 52.018 110.500 82.892 354 1HD ARG 50 1HD ARG 50 49.836 110.089 81.693 355 2HD ARG 50 2HD ARG 50 49.190 109.440 83.214 356 HE ARG 50 HE ARG 50 50.193 111.799 84.077 357 1HH1 ARG 50 2HH1 ARG 50 49.641 111.963 80.860 358 2HH1 ARG 50 1HH1 ARG 50 48.311 113.071 80.921 359 1HH2 ARG 50 1HH2 ARG 50 47.913 112.815 84.356 360 2HH2 ARG 50 2HH2 ARG 50 47.332 113.554 82.901 361 H HIS 51 H HIS 51 55.060 107.824 81.771 362 HA HIS 51 HA HIS 51 56.003 110.530 82.614 363 1HB HIS 51 1HB HIS 51 57.031 108.822 84.082 364 2HB HIS 51 2HB HIS 51 57.602 107.948 82.662 365 HD1 HIS 51 HD1 HIS 51 60.085 108.359 83.499 366 HD2 HIS 51 HD2 HIS 51 57.980 111.821 82.521 367 HE1 HIS 51 HE1 HIS 51 61.802 110.210 83.309 368 H TRP 52 H TRP 52 56.130 111.609 80.712 369 HA TRP 52 HA TRP 52 56.923 110.155 78.225 370 1HB TRP 52 1HB TRP 52 55.573 112.775 78.902 371 2HB TRP 52 2HB TRP 52 56.103 112.400 77.263 372 HD1 TRP 52 HD1 TRP 52 53.278 111.921 79.585 373 HE1 TRP 52 HE1 TRP 52 51.579 110.246 78.612 374 HE3 TRP 52 HE3 TRP 52 56.041 109.988 75.748 375 HZ2 TRP 52 HZ2 TRP 52 51.411 108.340 76.487 376 HZ3 TRP 52 HZ3 TRP 52 55.087 108.245 74.268 377 HH2 TRP 52 HH2 TRP 52 52.777 107.419 74.632 378 H GLN 53 H GLN 53 58.909 110.526 77.320 379 HA GLN 53 HA GLN 53 60.580 112.785 78.390 380 1HB GLN 53 1HB GLN 53 61.271 110.441 78.920 381 2HB GLN 53 2HB GLN 53 61.387 110.116 77.191 382 1HG GLN 53 1HG GLN 53 63.135 111.766 76.928 383 2HG GLN 53 2HG GLN 53 62.930 112.316 78.590 384 1HE2 GLN 53 1HE2 GLN 53 65.445 111.296 77.565 385 2HE2 GLN 53 2HE2 GLN 53 65.794 109.859 78.398 386 H ILE 54 H ILE 54 59.451 114.086 76.604 387 HA ILE 54 HA ILE 54 60.048 113.362 73.818 388 HB ILE 54 HB ILE 54 58.704 115.292 73.308 389 1HG1 ILE 54 1HG1 ILE 54 58.777 116.026 76.249 390 2HG1 ILE 54 2HG1 ILE 54 59.733 116.829 75.009 391 1HG2 ILE 54 1HG2 ILE 54 56.653 114.733 74.453 392 2HG2 ILE 54 2HG2 ILE 54 57.542 114.016 75.795 393 3HG2 ILE 54 3HG2 ILE 54 57.567 113.245 74.209 394 1HD1 ILE 54 1HD1 ILE 54 57.430 117.104 73.788 395 2HD1 ILE 54 2HD1 ILE 54 57.857 118.204 75.099 396 3HD1 ILE 54 3HD1 ILE 54 56.761 116.856 75.402 397 H THR 55 H THR 55 61.758 114.008 72.652 398 HA THR 55 HA THR 55 63.450 116.282 73.657 399 HB THR 55 HB THR 55 64.313 113.839 72.047 400 HG1 THR 55 HG1 THR 55 65.203 113.161 74.091 401 1HG2 THR 55 1HG2 THR 55 66.274 114.915 71.867 402 2HG2 THR 55 2HG2 THR 55 66.399 114.988 73.624 403 3HG2 THR 55 3HG2 THR 55 65.609 116.295 72.742 404 H ASP 56 H ASP 56 63.645 117.934 72.292 405 HA ASP 56 HA ASP 56 62.357 117.702 69.659 406 1HB ASP 56 1HB ASP 56 61.977 119.537 71.394 407 2HB ASP 56 2HB ASP 56 63.584 120.135 70.979 408 H GLY 57 H GLY 57 63.451 118.923 67.821 409 1HA GLY 57 1HA GLY 57 65.926 117.705 67.146 410 2HA GLY 57 2HA GLY 57 65.192 119.044 66.272 411 H ASN 58 H ASN 58 65.499 120.337 69.287 412 HA ASN 58 HA ASN 58 68.183 121.455 68.615 413 1HB ASN 58 1HB ASN 58 65.895 122.411 70.369 414 2HB ASN 58 2HB ASN 58 67.419 123.279 70.181 415 1HD2 ASN 58 1HD2 ASN 58 64.372 123.538 69.131 416 2HD2 ASN 58 2HD2 ASN 58 64.619 124.065 67.536 417 H GLY 59 H GLY 59 67.067 118.981 70.436 418 1HA GLY 59 1HA GLY 59 68.434 117.747 71.979 419 2HA GLY 59 2HA GLY 59 69.335 119.221 72.321 420 H ARG 60 H ARG 60 66.811 120.786 72.752 421 HA ARG 60 HA ARG 60 66.564 120.447 75.583 422 1HB ARG 60 1HB ARG 60 65.420 122.045 73.410 423 2HB ARG 60 2HB ARG 60 64.235 121.705 74.668 424 1HG ARG 60 1HG ARG 60 65.151 123.395 75.849 425 2HG ARG 60 2HG ARG 60 66.559 122.364 76.085 426 1HD ARG 60 1HD ARG 60 67.224 124.553 75.130 427 2HD ARG 60 2HD ARG 60 67.534 123.253 73.963 428 HE ARG 60 HE ARG 60 64.858 124.436 73.755 429 1HH1 ARG 60 1HH2 ARG 60 67.791 125.876 73.284 430 2HH1 ARG 60 2HH2 ARG 60 67.643 126.084 71.570 431 1HH2 ARG 60 2HH1 ARG 60 64.808 124.106 71.310 432 2HH2 ARG 60 1HH1 ARG 60 65.953 125.082 70.453 433 H THR 61 H THR 61 65.055 119.293 76.826 434 HA THR 61 HA THR 61 63.042 117.667 75.324 435 HB THR 61 HB THR 61 63.688 115.739 76.723 436 HG1 THR 61 HG1 THR 61 65.610 117.537 77.774 437 1HG2 THR 61 1HG2 THR 61 65.127 116.746 74.634 438 2HG2 THR 61 2HG2 THR 61 65.466 115.199 75.409 439 3HG2 THR 61 3HG2 THR 61 66.372 116.636 75.878 440 H GLU 62 H GLU 62 61.121 117.156 76.567 441 HA GLU 62 HA GLU 62 60.838 118.715 79.118 442 1HB GLU 62 1HB GLU 62 58.953 118.204 76.800 443 2HB GLU 62 2HB GLU 62 58.424 118.906 78.330 444 1HG GLU 62 1HG GLU 62 60.054 120.741 78.056 445 2HG GLU 62 2HG GLU 62 60.582 120.043 76.527 446 H GLN 63 H GLN 63 60.494 117.391 80.831 447 HA GLN 63 HA GLN 63 59.456 114.616 80.390 448 1HB GLN 63 1HB GLN 63 60.991 116.027 82.582 449 2HB GLN 63 2HB GLN 63 60.411 114.368 82.724 450 1HG GLN 63 1HG GLN 63 61.687 113.741 80.711 451 2HG GLN 63 2HG GLN 63 62.265 115.401 80.557 452 1HE2 GLN 63 1HE2 GLN 63 63.671 112.704 81.253 453 2HE2 GLN 63 2HE2 GLN 63 64.574 113.083 82.640 454 H VAL 64 H VAL 64 57.469 114.051 81.205 455 HA VAL 64 HA VAL 64 56.135 115.929 83.135 456 HB VAL 64 HB VAL 64 54.954 114.422 80.770 457 1HG1 VAL 64 1HG1 VAL 64 53.358 114.649 82.633 458 2HG1 VAL 64 2HG1 VAL 64 52.899 115.702 81.294 459 3HG1 VAL 64 3HG1 VAL 64 53.691 116.379 82.718 460 1HG2 VAL 64 1HG2 VAL 64 55.555 117.360 81.235 461 2HG2 VAL 64 2HG2 VAL 64 54.576 116.755 79.899 462 3HG2 VAL 64 3HG2 VAL 64 56.279 116.311 80.016 463 H ASP 65 H ASP 65 55.364 114.952 84.929 464 HA ASP 65 HA ASP 65 55.112 111.955 84.959 465 1HB ASP 65 1HB ASP 65 55.983 112.121 87.278 466 2HB ASP 65 2HB ASP 65 57.125 112.779 86.107 467 H GLY 66 H GLY 66 53.096 111.268 85.549 468 1HA GLY 66 1HA GLY 66 51.511 112.796 87.504 469 2HA GLY 66 2HA GLY 66 50.799 112.660 85.894 470 H GLU 67 H GLU 67 49.499 111.511 88.098 471 HA GLU 67 HA GLU 67 50.082 108.585 87.880 472 1HB GLU 67 1HB GLU 67 48.559 110.316 89.850 473 2HB GLU 67 2HB GLU 67 48.588 108.555 89.936 474 1HG GLU 67 1HG GLU 67 51.051 108.600 90.105 475 2HG GLU 67 2HG GLU 67 51.024 110.360 90.022 476 H GLY 68 H GLY 68 48.197 107.137 87.585 477 1HA GLY 68 1HA GLY 68 46.323 106.474 86.350 478 2HA GLY 68 2HA GLY 68 45.542 107.824 87.164 479 H VAL 69 H VAL 69 46.925 106.710 84.157 480 HA VAL 69 HA VAL 69 47.297 108.977 82.576 481 HB VAL 69 HB VAL 69 46.442 107.532 80.725 482 1HG1 VAL 69 1HG1 VAL 69 48.690 107.231 82.209 483 2HG1 VAL 69 2HG1 VAL 69 48.324 106.249 80.791 484 3HG1 VAL 69 3HG1 VAL 69 47.972 105.632 82.405 485 1HG2 VAL 69 1HG2 VAL 69 45.696 105.221 81.341 486 2HG2 VAL 69 2HG2 VAL 69 44.562 106.471 81.849 487 3HG2 VAL 69 3HG2 VAL 69 45.639 105.726 83.029 488 H VAL 70 H VAL 70 46.121 110.594 81.850 489 HA VAL 70 HA VAL 70 44.358 112.127 81.789 490 HB VAL 70 HB VAL 70 42.625 111.391 80.243 491 1HG1 VAL 70 1HG1 VAL 70 44.039 111.107 78.497 492 2HG1 VAL 70 2HG1 VAL 70 44.795 109.679 79.207 493 3HG1 VAL 70 3HG1 VAL 70 45.303 111.292 79.714 494 1HG2 VAL 70 1HG2 VAL 70 42.216 109.076 79.708 495 2HG2 VAL 70 2HG2 VAL 70 42.123 109.248 81.456 496 3HG2 VAL 70 3HG2 VAL 70 43.561 108.548 80.716 497 H GLY 71 H GLY 71 44.530 110.833 84.322 498 1HA GLY 71 1HA GLY 71 43.269 111.090 86.297 499 2HA GLY 71 2HA GLY 71 41.858 111.460 85.317 500 H GLU 72 H GLU 72 43.566 108.483 84.600 501 HA GLU 72 HA GLU 72 41.705 106.950 86.342 502 1HB GLU 72 1HB GLU 72 40.849 105.669 84.411 503 2HB GLU 72 2HB GLU 72 40.473 107.385 84.276 504 1HG GLU 72 1HG GLU 72 42.061 107.732 82.606 505 2HG GLU 72 2HG GLU 72 42.978 106.291 83.029 506 H GLN 73 H GLN 73 42.218 104.768 86.605 507 HA GLN 73 HA GLN 73 45.012 103.933 85.843 508 1HB GLN 73 1HB GLN 73 43.263 103.490 88.283 509 2HB GLN 73 2HB GLN 73 44.778 102.629 88.008 510 1HG GLN 73 1HG GLN 73 46.045 104.669 88.048 511 2HG GLN 73 2HG GLN 73 44.579 105.649 88.017 512 1HE2 GLN 73 1HE2 GLN 73 44.597 106.645 90.067 513 2HE2 GLN 73 2HE2 GLN 73 44.694 105.798 91.535 514 HA PRO 74 HA PRO 74 41.669 101.250 83.879 515 1HB PRO 74 1HB PRO 74 43.170 100.570 81.697 516 2HB PRO 74 2HB PRO 74 42.143 102.017 81.763 517 1HG PRO 74 1HG PRO 74 45.084 101.766 82.159 518 2HG PRO 74 2HG PRO 74 44.163 103.007 81.291 519 1HD PRO 74 1HD PRO 74 45.151 103.396 83.777 520 2HD PRO 74 2HD PRO 74 43.653 104.162 83.207 521 H TRP 75 H TRP 75 41.566 99.068 84.169 522 HA TRP 75 HA TRP 75 43.994 97.640 85.162 523 1HB TRP 75 1HB TRP 75 41.629 97.908 86.314 524 2HB TRP 75 2HB TRP 75 41.154 96.627 85.201 525 HD1 TRP 75 HD1 TRP 75 43.825 97.323 87.898 526 HE1 TRP 75 HE1 TRP 75 44.455 95.085 89.009 527 HE3 TRP 75 HE3 TRP 75 41.030 94.122 85.069 528 HZ2 TRP 75 HZ2 TRP 75 43.848 92.304 88.737 529 HZ3 TRP 75 HZ3 TRP 75 41.071 91.686 85.520 530 HH2 TRP 75 HH2 TRP 75 42.475 90.772 87.348 531 H LEU 76 H LEU 76 44.682 97.546 82.778 532 HA LEU 76 HA LEU 76 43.161 96.200 80.780 533 1HB LEU 76 1HB LEU 76 45.596 97.503 81.006 534 2HB LEU 76 2HB LEU 76 46.075 95.848 80.631 535 HG LEU 76 HG LEU 76 44.467 95.866 78.713 536 1HD1 LEU 76 1HD1 LEU 76 43.341 98.012 79.976 537 2HD1 LEU 76 2HD1 LEU 76 43.090 97.627 78.274 538 3HD1 LEU 76 3HD1 LEU 76 44.302 98.821 78.737 539 1HD2 LEU 76 1HD2 LEU 76 45.848 97.943 77.580 540 2HD2 LEU 76 2HD2 LEU 76 46.498 96.317 77.775 541 3HD2 LEU 76 3HD2 LEU 76 46.879 97.565 78.961 542 H ARG 77 H ARG 77 42.467 94.139 80.835 543 HA ARG 77 HA ARG 77 43.797 92.087 82.482 544 1HB ARG 77 1HB ARG 77 41.307 92.356 80.802 545 2HB ARG 77 2HB ARG 77 41.829 90.764 81.349 546 1HG ARG 77 1HG ARG 77 41.737 91.457 83.664 547 2HG ARG 77 2HG ARG 77 41.419 93.128 83.199 548 1HD ARG 77 1HD ARG 77 39.220 92.548 83.468 549 2HD ARG 77 2HD ARG 77 39.401 91.772 81.883 550 HE ARG 77 HE ARG 77 39.968 90.301 84.430 551 1HH1 ARG 77 1HH2 ARG 77 37.179 90.247 83.158 552 2HH1 ARG 77 2HH2 ARG 77 37.257 88.766 82.264 553 1HH2 ARG 77 2HH1 ARG 77 40.712 88.522 82.459 554 2HH2 ARG 77 1HH1 ARG 77 39.257 87.789 81.869 555 HA PRO 78 HA PRO 78 46.292 90.320 79.329 556 1HB PRO 78 1HB PRO 78 45.665 87.651 79.333 557 2HB PRO 78 2HB PRO 78 46.691 88.406 80.571 558 1HG PRO 78 1HG PRO 78 43.795 87.710 80.683 559 2HG PRO 78 2HG PRO 78 45.050 87.521 81.920 560 1HD PRO 78 1HD PRO 78 43.262 89.541 81.972 561 2HD PRO 78 2HD PRO 78 44.921 89.719 82.581 562 H GLY 79 H GLY 79 45.970 90.534 77.211 563 1HA GLY 79 1HA GLY 79 45.043 90.027 75.061 564 2HA GLY 79 2HA GLY 79 43.706 89.206 75.861 565 H GLU 80 H GLU 80 43.508 91.805 77.624 566 HA GLU 80 HA GLU 80 41.595 93.157 75.819 567 1HB GLU 80 1HB GLU 80 41.079 92.506 78.188 568 2HB GLU 80 2HB GLU 80 42.321 93.636 78.730 569 1HG GLU 80 1HG GLU 80 41.114 95.503 77.702 570 2HG GLU 80 2HG GLU 80 39.899 94.395 77.068 571 H ALA 81 H ALA 81 41.624 95.584 75.749 572 HA ALA 81 HA ALA 81 44.301 96.817 76.136 573 1HB ALA 81 1HB ALA 81 44.411 95.939 73.904 574 2HB ALA 81 2HB ALA 81 44.073 97.661 73.726 575 3HB ALA 81 3HB ALA 81 42.774 96.483 73.541 576 H PHE 82 H PHE 82 44.188 99.132 76.274 577 HA PHE 82 HA PHE 82 41.411 100.261 76.466 578 1HB PHE 82 1HB PHE 82 42.582 100.016 78.628 579 2HB PHE 82 2HB PHE 82 43.949 100.935 77.999 580 HD1 PHE 82 HD1 PHE 82 43.782 103.350 77.619 581 HD2 PHE 82 HD2 PHE 82 40.455 101.103 79.144 582 HE1 PHE 82 HE1 PHE 82 42.646 105.462 78.256 583 HE2 PHE 82 HE2 PHE 82 39.320 103.214 79.780 584 HZ PHE 82 HZ PHE 82 40.416 105.392 79.334 585 H HIS 83 H HIS 83 41.125 102.344 75.442 586 HA HIS 83 HA HIS 83 43.528 103.554 74.146 587 1HB HIS 83 1HB HIS 83 42.273 103.605 71.996 588 2HB HIS 83 2HB HIS 83 42.556 101.960 72.560 589 HD1 HIS 83 HD1 HIS 83 39.819 104.578 72.373 590 HD2 HIS 83 HD2 HIS 83 40.227 100.493 73.104 591 HE1 HIS 83 HE1 HIS 83 37.473 103.624 72.445 592 H TYR 84 H TYR 84 43.415 105.777 73.982 593 HA TYR 84 HA TYR 84 40.831 107.173 74.271 594 1HB TYR 84 1HB TYR 84 41.556 108.406 76.248 595 2HB TYR 84 2HB TYR 84 41.672 106.683 76.580 596 HD1 TYR 84 HD1 TYR 84 43.531 109.799 76.055 597 HD2 TYR 84 HD2 TYR 84 43.872 105.568 76.693 598 HE1 TYR 84 HE1 TYR 84 45.927 110.078 76.636 599 HE2 TYR 84 HE2 TYR 84 46.266 105.844 77.269 600 HH TYR 84 HH TYR 84 47.664 108.092 78.268 601 H THR 85 H THR 85 41.086 109.517 73.753 602 HA THR 85 HA THR 85 43.365 109.933 71.870 603 HB THR 85 HB THR 85 40.729 111.396 72.221 604 HG1 THR 85 HG1 THR 85 40.195 109.438 71.497 605 1HG2 THR 85 1HG2 THR 85 41.293 112.060 69.804 606 2HG2 THR 85 2HG2 THR 85 42.933 111.515 70.161 607 3HG2 THR 85 3HG2 THR 85 42.224 112.843 71.080 608 H SER 86 H SER 86 44.813 111.610 72.159 609 HA SER 86 HA SER 86 44.385 113.406 74.523 610 1HB SER 86 1HB SER 86 46.083 111.808 75.026 611 2HB SER 86 2HB SER 86 46.825 111.994 73.439 612 HG SER 86 HG SER 86 47.558 113.223 75.546 613 H GLY 87 H GLY 87 45.660 115.538 74.258 614 1HA GLY 87 1HA GLY 87 46.281 116.238 71.443 615 2HA GLY 87 2HA GLY 87 45.050 117.194 72.267 616 H VAL 88 H VAL 88 48.231 117.189 71.483 617 HA VAL 88 HA VAL 88 48.924 119.021 73.757 618 HB VAL 88 HB VAL 88 51.197 118.004 73.697 619 1HG1 VAL 88 1HG1 VAL 88 50.505 115.753 74.613 620 2HG1 VAL 88 2HG1 VAL 88 48.858 116.125 74.107 621 3HG1 VAL 88 3HG1 VAL 88 49.651 117.122 75.324 622 1HG2 VAL 88 1HG2 VAL 88 49.918 116.042 71.761 623 2HG2 VAL 88 2HG2 VAL 88 51.551 115.929 72.417 624 3HG2 VAL 88 3HG2 VAL 88 51.127 117.252 71.330 625 H LEU 89 H LEU 89 50.388 120.728 73.161 626 HA LEU 89 HA LEU 89 50.484 121.228 70.215 627 1HB LEU 89 1HB LEU 89 50.585 123.607 70.896 628 2HB LEU 89 2HB LEU 89 49.187 122.798 71.603 629 HG LEU 89 HG LEU 89 51.349 122.436 73.427 630 1HD1 LEU 89 1HD1 LEU 89 52.167 124.621 73.863 631 2HD1 LEU 89 2HD1 LEU 89 50.971 125.367 72.804 632 3HD1 LEU 89 3HD1 LEU 89 52.297 124.431 72.114 633 1HD2 LEU 89 1HD2 LEU 89 49.895 123.672 74.940 634 2HD2 LEU 89 2HD2 LEU 89 48.895 122.642 73.914 635 3HD2 LEU 89 3HD2 LEU 89 49.014 124.369 73.580 636 H LEU 90 H LEU 90 52.477 121.732 69.245 637 HA LEU 90 HA LEU 90 54.889 121.585 71.022 638 1HB LEU 90 1HB LEU 90 54.213 120.389 68.339 639 2HB LEU 90 2HB LEU 90 55.893 120.569 68.846 640 HG LEU 90 HG LEU 90 53.874 119.271 70.665 641 1HD1 LEU 90 1HD1 LEU 90 54.943 117.095 69.679 642 2HD1 LEU 90 2HD1 LEU 90 55.288 118.107 68.277 643 3HD1 LEU 90 3HD1 LEU 90 53.621 117.868 68.803 644 1HD2 LEU 90 1HD2 LEU 90 55.965 118.123 71.451 645 2HD2 LEU 90 2HD2 LEU 90 56.019 119.875 71.644 646 3HD2 LEU 90 3HD2 LEU 90 56.883 119.108 70.312 647 H GLU 91 H GLU 91 56.548 123.149 70.564 648 HA GLU 91 HA GLU 91 55.781 125.447 68.905 649 1HB GLU 91 1HB GLU 91 58.306 124.780 70.459 650 2HB GLU 91 2HB GLU 91 57.867 126.373 69.846 651 1HG GLU 91 1HG GLU 91 55.843 126.361 71.261 652 2HG GLU 91 2HG GLU 91 56.285 124.769 71.875 653 H THR 92 H THR 92 57.764 122.595 68.599 654 HA THR 92 HA THR 92 59.212 123.638 66.218 655 HB THR 92 HB THR 92 59.409 120.965 67.612 656 HG1 THR 92 HG1 THR 92 60.755 123.387 68.214 657 1HG2 THR 92 1HG2 THR 92 60.562 121.683 65.330 658 2HG2 THR 92 2HG2 THR 92 61.452 120.755 66.537 659 3HG2 THR 92 3HG2 THR 92 61.684 122.499 66.418 660 H GLU 93 H GLU 93 58.564 122.944 64.129 661 HA GLU 93 HA GLU 93 56.136 121.362 63.844 662 1HB GLU 93 1HB GLU 93 57.061 123.290 62.397 663 2HB GLU 93 2HB GLU 93 58.128 122.081 61.684 664 1HG GLU 93 1HG GLU 93 56.172 120.721 61.046 665 2HG GLU 93 2HG GLU 93 55.100 121.924 61.760 666 H GLN 94 H GLN 94 59.381 120.459 64.316 667 HA GLN 94 HA GLN 94 58.764 117.718 63.332 668 1HB GLN 94 1HB GLN 94 61.098 117.626 62.435 669 2HB GLN 94 2HB GLN 94 60.124 118.868 61.649 670 1HG GLN 94 1HG GLN 94 61.102 120.575 63.160 671 2HG GLN 94 2HG GLN 94 62.105 119.328 63.901 672 1HE2 GLN 94 1HE2 GLN 94 64.187 119.881 63.140 673 2HE2 GLN 94 2HE2 GLN 94 64.586 120.026 61.497 674 H GLY 95 H GLY 95 59.762 116.041 64.751 675 1HA GLY 95 1HA GLY 95 61.817 116.628 66.630 676 2HA GLY 95 2HA GLY 95 60.279 116.902 67.435 677 H GLN 96 H GLN 96 61.911 115.070 68.470 678 HA GLN 96 HA GLN 96 60.815 112.372 67.680 679 1HB GLN 96 1HB GLN 96 63.316 113.066 69.254 680 2HB GLN 96 2HB GLN 96 62.878 111.489 68.602 681 1HG GLN 96 1HG GLN 96 62.814 112.954 66.326 682 2HG GLN 96 2HG GLN 96 64.034 113.853 67.232 683 1HE2 GLN 96 1HE2 GLN 96 66.047 113.125 66.520 684 2HE2 GLN 96 2HE2 GLN 96 66.473 111.494 66.320 685 H MET 97 H MET 97 59.481 111.439 69.222 686 HA MET 97 HA MET 97 59.638 112.501 72.028 687 1HB MET 97 1HB MET 97 57.302 111.777 70.251 688 2HB MET 97 2HB MET 97 57.130 112.067 71.982 689 1HG MET 97 1HG MET 97 58.040 114.326 71.715 690 2HG MET 97 2HG MET 97 58.295 114.040 69.995 691 1HE MET 97 1HE MET 97 54.426 113.460 72.131 692 2HE MET 97 2HE MET 97 55.087 115.017 72.622 693 3HE MET 97 3HE MET 97 56.068 113.564 72.782 694 H GLN 98 H GLN 98 60.228 110.880 73.448 695 HA GLN 98 HA GLN 98 59.350 108.060 72.885 696 1HB GLN 98 1HB GLN 98 61.926 109.312 73.839 697 2HB GLN 98 2HB GLN 98 61.537 107.643 74.259 698 1HG GLN 98 1HG GLN 98 61.308 107.069 71.898 699 2HG GLN 98 2HG GLN 98 61.611 108.745 71.438 700 1HE2 GLN 98 1HE2 GLN 98 63.648 108.509 70.397 701 2HE2 GLN 98 2HE2 GLN 98 65.031 107.910 71.175 702 H GLY 99 H GLY 99 58.708 106.886 74.850 703 1HA GLY 99 1HA GLY 99 58.838 108.304 77.423 704 2HA GLY 99 2HA GLY 99 57.212 108.206 76.755 705 H HIS 100 H HIS 100 57.428 107.030 79.098 706 HA HIS 100 HA HIS 100 57.412 104.125 78.441 707 1HB HIS 100 1HB HIS 100 58.734 105.510 80.801 708 2HB HIS 100 2HB HIS 100 58.545 103.762 80.669 709 HD1 HIS 100 HD1 HIS 100 60.133 106.649 78.753 710 HD2 HIS 100 HD2 HIS 100 60.561 102.529 79.219 711 HE1 HIS 100 HE1 HIS 100 62.214 105.996 77.467 712 H TYR 101 H TYR 101 56.028 102.888 79.922 713 HA TYR 101 HA TYR 101 53.947 104.592 81.242 714 1HB TYR 101 1HB TYR 101 53.893 102.009 79.682 715 2HB TYR 101 2HB TYR 101 52.561 102.430 80.752 716 HD1 TYR 101 HD1 TYR 101 52.371 105.376 80.396 717 HD2 TYR 101 HD2 TYR 101 53.068 102.266 77.513 718 HE1 TYR 101 HE1 TYR 101 51.429 106.816 78.613 719 HE2 TYR 101 HE2 TYR 101 52.123 103.708 75.733 720 HH TYR 101 HH TYR 101 50.364 106.525 76.391 721 H ASP 102 H ASP 102 53.754 104.265 83.488 722 HA ASP 102 HA ASP 102 55.267 102.036 84.737 723 1HB ASP 102 1HB ASP 102 55.256 104.442 85.576 724 2HB ASP 102 2HB ASP 102 53.547 104.229 85.958 725 H MET 103 H MET 103 54.340 100.150 84.976 726 HA MET 103 HA MET 103 51.353 99.976 85.305 727 1HB MET 103 1HB MET 103 52.663 99.194 83.159 728 2HB MET 103 2HB MET 103 53.100 97.816 84.167 729 1HG MET 103 1HG MET 103 51.114 97.113 83.112 730 2HG MET 103 2HG MET 103 50.563 97.666 84.692 731 1HE MET 103 1HE MET 103 48.839 98.113 81.105 732 2HE MET 103 2HE MET 103 47.785 98.200 82.513 733 3HE MET 103 3HE MET 103 49.074 97.000 82.459 734 H VAL 104 H VAL 104 50.648 98.125 86.615 735 HA VAL 104 HA VAL 104 52.734 96.973 88.424 736 HB VAL 104 HB VAL 104 51.055 97.422 90.302 737 1HG1 VAL 104 1HG1 VAL 104 52.557 99.575 88.833 738 2HG1 VAL 104 2HG1 VAL 104 52.983 98.754 90.334 739 3HG1 VAL 104 3HG1 VAL 104 51.679 99.941 90.317 740 1HG2 VAL 104 1HG2 VAL 104 49.925 99.364 88.259 741 2HG2 VAL 104 2HG2 VAL 104 49.421 99.208 89.942 742 3HG2 VAL 104 3HG2 VAL 104 49.113 97.897 88.804 743 H ALA 105 H ALA 105 52.425 94.788 88.635 744 HA ALA 105 HA ALA 105 50.209 93.400 87.354 745 1HB ALA 105 1HB ALA 105 52.505 92.495 87.616 746 2HB ALA 105 2HB ALA 105 51.318 91.435 88.372 747 3HB ALA 105 3HB ALA 105 52.303 92.504 89.367 748 H ASP 106 H ASP 106 48.741 91.912 88.567 749 HA ASP 106 HA ASP 106 47.246 93.290 90.589 750 1HB ASP 106 1HB ASP 106 46.496 91.489 88.963 751 2HB ASP 106 2HB ASP 106 47.303 90.316 90.004 752 H ASP 107 H ASP 107 49.912 90.990 90.773 753 HA ASP 107 HA ASP 107 49.575 90.405 93.610 754 1HB ASP 107 1HB ASP 107 51.760 89.975 91.561 755 2HB ASP 107 2HB ASP 107 51.872 89.381 93.219 756 H GLY 108 H GLY 108 50.782 93.145 91.963 757 1HA GLY 108 1HA GLY 108 51.460 95.093 93.275 758 2HA GLY 108 2HA GLY 108 52.192 93.996 94.445 759 H THR 109 H THR 109 53.097 92.594 91.650 760 HA THR 109 HA THR 109 55.825 93.348 91.786 761 HB THR 109 HB THR 109 54.295 92.399 89.344 762 HG1 THR 109 HG1 THR 109 54.081 90.540 90.304 763 1HG2 THR 109 1HG2 THR 109 57.142 92.004 90.302 764 2HG2 THR 109 2HG2 THR 109 56.626 92.940 88.898 765 3HG2 THR 109 3HG2 THR 109 56.434 91.187 88.909 766 H GLU 110 H GLU 110 56.952 95.109 90.897 767 HA GLU 110 HA GLU 110 55.331 97.101 89.386 768 1HB GLU 110 1HB GLU 110 56.470 97.752 91.494 769 2HB GLU 110 2HB GLU 110 58.020 97.305 90.783 770 1HG GLU 110 1HG GLU 110 57.702 98.994 89.013 771 2HG GLU 110 2HG GLU 110 56.152 99.446 89.723 772 H PHE 111 H PHE 111 55.886 97.726 87.322 773 HA PHE 111 HA PHE 111 58.478 97.173 86.107 774 1HB PHE 111 1HB PHE 111 57.728 95.450 84.574 775 2HB PHE 111 2HB PHE 111 57.312 94.929 86.202 776 HD1 PHE 111 HD1 PHE 111 56.035 95.994 82.949 777 HD2 PHE 111 HD2 PHE 111 54.954 95.057 87.000 778 HE1 PHE 111 HE1 PHE 111 53.658 95.799 82.270 779 HE2 PHE 111 HE2 PHE 111 52.577 94.864 86.319 780 HZ PHE 111 HZ PHE 111 51.930 95.233 83.955 781 H ILE 112 H ILE 112 58.751 98.399 84.254 782 HA ILE 112 HA ILE 112 56.529 100.275 83.604 783 HB ILE 112 HB ILE 112 59.512 100.313 83.029 784 1HG1 ILE 112 1HG1 ILE 112 57.916 101.949 85.022 785 2HG1 ILE 112 2HG1 ILE 112 58.784 100.476 85.456 786 1HG2 ILE 112 1HG2 ILE 112 58.882 102.843 82.742 787 2HG2 ILE 112 2HG2 ILE 112 57.260 102.219 82.442 788 3HG2 ILE 112 3HG2 ILE 112 58.599 101.730 81.403 789 1HD1 ILE 112 1HD1 ILE 112 60.868 101.440 85.122 790 2HD1 ILE 112 2HD1 ILE 112 59.956 102.841 85.686 791 3HD1 ILE 112 3HD1 ILE 112 60.253 102.617 83.961 792 H ALA 113 H ALA 113 56.119 100.794 81.344 793 HA ALA 113 HA ALA 113 56.838 98.605 79.424 794 1HB ALA 113 1HB ALA 113 54.538 99.499 78.433 795 2HB ALA 113 2HB ALA 113 54.301 100.074 80.082 796 3HB ALA 113 3HB ALA 113 54.538 98.353 79.774 797 HA PRO 114 HA PRO 114 58.761 102.448 77.840 798 1HB PRO 114 1HB PRO 114 60.263 101.209 75.935 799 2HB PRO 114 2HB PRO 114 60.772 101.335 77.633 800 1HG PRO 114 1HG PRO 114 59.529 99.043 76.196 801 2HG PRO 114 2HG PRO 114 60.843 99.052 77.383 802 1HD PRO 114 1HD PRO 114 58.306 98.373 78.021 803 2HD PRO 114 2HD PRO 114 59.410 99.160 79.170 804 H ILE 115 H ILE 115 58.238 103.659 76.145 805 HA ILE 115 HA ILE 115 56.336 102.545 74.101 806 HB ILE 115 HB ILE 115 56.812 105.399 75.031 807 1HG1 ILE 115 1HG1 ILE 115 54.428 103.662 75.706 808 2HG1 ILE 115 2HG1 ILE 115 55.848 103.720 76.752 809 1HG2 ILE 115 1HG2 ILE 115 55.871 105.312 72.804 810 2HG2 ILE 115 2HG2 ILE 115 54.585 105.753 73.927 811 3HG2 ILE 115 3HG2 ILE 115 54.686 104.106 73.305 812 1HD1 ILE 115 1HD1 ILE 115 54.464 105.392 77.653 813 2HD1 ILE 115 2HD1 ILE 115 53.929 105.933 76.063 814 3HD1 ILE 115 3HD1 ILE 115 55.562 106.303 76.615 815 H ALA 116 H ALA 116 57.201 102.322 72.104 816 HA ALA 116 HA ALA 116 59.800 102.871 71.267 817 1HB ALA 116 1HB ALA 116 58.800 102.727 68.973 818 2HB ALA 116 2HB ALA 116 57.202 102.861 69.706 819 3HB ALA 116 3HB ALA 116 58.222 101.466 70.062 820 H ALA 117 H ALA 117 60.432 104.471 69.463 821 HA ALA 117 HA ALA 117 59.605 107.205 70.295 822 1HB ALA 117 1HB ALA 117 62.014 106.182 70.204 823 2HB ALA 117 2HB ALA 117 61.764 107.817 69.592 824 3HB ALA 117 3HB ALA 117 61.880 106.464 68.468 825 H PHE 118 H PHE 118 58.207 108.272 68.979 826 HA PHE 118 HA PHE 118 58.093 107.518 66.079 827 1HB PHE 118 1HB PHE 118 55.778 108.452 66.207 828 2HB PHE 118 2HB PHE 118 56.015 107.106 67.316 829 HD1 PHE 118 HD1 PHE 118 56.047 107.440 69.722 830 HD2 PHE 118 HD2 PHE 118 55.626 110.766 67.037 831 HE1 PHE 118 HE1 PHE 118 55.350 108.880 71.617 832 HE2 PHE 118 HE2 PHE 118 54.932 112.207 68.933 833 HZ PHE 118 HZ PHE 118 54.794 111.264 71.221 834 H VAL 119 H VAL 119 57.893 109.381 64.574 835 HA VAL 119 HA VAL 119 59.078 111.873 65.747 836 HB VAL 119 HB VAL 119 59.323 110.648 62.976 837 1HG1 VAL 119 1HG1 VAL 119 60.686 113.052 64.233 838 2HG1 VAL 119 2HG1 VAL 119 59.502 113.098 62.927 839 3HG1 VAL 119 3HG1 VAL 119 61.085 112.370 62.657 840 1HG2 VAL 119 1HG2 VAL 119 61.768 110.435 63.791 841 2HG2 VAL 119 2HG2 VAL 119 60.597 109.290 64.445 842 3HG2 VAL 119 3HG2 VAL 119 61.113 110.673 65.411 843 H LEU 120 H LEU 120 58.365 113.881 64.847 844 HA LEU 120 HA LEU 120 55.638 113.761 63.606 845 1HB LEU 120 1HB LEU 120 57.017 115.716 65.470 846 2HB LEU 120 2HB LEU 120 55.502 116.098 64.656 847 HG LEU 120 HG LEU 120 54.540 113.983 65.678 848 1HD1 LEU 120 1HD1 LEU 120 56.180 112.598 66.465 849 2HD1 LEU 120 2HD1 LEU 120 55.996 113.563 67.929 850 3HD1 LEU 120 3HD1 LEU 120 57.290 113.929 66.789 851 1HD2 LEU 120 1HD2 LEU 120 54.440 116.444 66.585 852 2HD2 LEU 120 2HD2 LEU 120 55.498 115.824 67.853 853 3HD2 LEU 120 3HD2 LEU 120 53.897 115.121 67.618 854 H SER 121 H SER 121 55.435 114.688 61.602 855 HA SER 121 HA SER 121 57.332 116.773 60.693 856 1HB SER 121 1HB SER 121 58.419 114.577 60.265 857 2HB SER 121 2HB SER 121 57.010 114.077 59.334 858 HG SER 121 HG SER 121 58.441 114.890 57.876 Start of MODEL 3 1 H ARG 6 1H ARG 6 55.942 86.035 82.134 2 HA ARG 6 HA ARG 6 53.686 86.571 81.543 3 1HB ARG 6 1HB ARG 6 53.944 86.730 84.557 4 2HB ARG 6 2HB ARG 6 52.387 86.676 83.730 5 1HG ARG 6 1HG ARG 6 53.021 84.539 82.670 6 2HG ARG 6 2HG ARG 6 54.576 84.589 83.500 7 1HD ARG 6 1HD ARG 6 53.347 84.624 85.694 8 2HD ARG 6 2HD ARG 6 51.836 84.382 84.794 9 HE ARG 6 HE ARG 6 53.325 82.375 83.772 10 1HH1 ARG 6 1HH2 ARG 6 51.330 81.875 86.000 11 2HH1 ARG 6 2HH2 ARG 6 52.313 81.048 87.161 12 1HH2 ARG 6 2HH1 ARG 6 55.309 82.009 85.705 13 2HH2 ARG 6 1HH1 ARG 6 54.566 81.124 86.996 14 H TYR 7 H TYR 7 55.649 89.014 81.972 15 HA TYR 7 HA TYR 7 53.496 91.071 82.339 16 1HB TYR 7 1HB TYR 7 56.464 91.161 82.972 17 2HB TYR 7 2HB TYR 7 55.337 92.493 83.219 18 HD1 TYR 7 HD1 TYR 7 52.989 91.436 84.385 19 HD2 TYR 7 HD2 TYR 7 57.041 90.137 84.982 20 HE1 TYR 7 HE1 TYR 7 52.364 90.495 86.592 21 HE2 TYR 7 HE2 TYR 7 56.414 89.197 87.189 22 HH TYR 7 HH TYR 7 54.205 88.325 88.255 23 H ARG 8 H ARG 8 53.002 91.506 80.177 24 HA ARG 8 HA ARG 8 55.146 92.759 78.530 25 1HB ARG 8 1HB ARG 8 54.949 90.242 78.112 26 2HB ARG 8 2HB ARG 8 53.335 90.571 77.479 27 1HG ARG 8 1HG ARG 8 54.835 90.564 75.600 28 2HG ARG 8 2HG ARG 8 54.399 92.244 75.905 29 1HD ARG 8 1HD ARG 8 56.760 91.392 77.440 30 2HD ARG 8 2HD ARG 8 56.996 91.309 75.683 31 HE ARG 8 HE ARG 8 56.244 93.762 77.197 32 1HH1 ARG 8 2HH1 ARG 8 58.770 93.655 75.632 33 2HH1 ARG 8 1HH1 ARG 8 58.326 94.429 74.148 34 1HH2 ARG 8 1HH2 ARG 8 54.916 94.110 74.692 35 2HH2 ARG 8 2HH2 ARG 8 56.144 94.687 73.616 36 H VAL 9 H VAL 9 54.344 94.552 77.539 37 HA VAL 9 HA VAL 9 51.488 94.741 76.746 38 HB VAL 9 HB VAL 9 52.844 96.553 78.781 39 1HG1 VAL 9 1HG1 VAL 9 51.384 97.855 77.321 40 2HG1 VAL 9 2HG1 VAL 9 50.592 97.648 78.883 41 3HG1 VAL 9 3HG1 VAL 9 50.092 96.669 77.504 42 1HG2 VAL 9 1HG2 VAL 9 52.136 94.600 79.928 43 2HG2 VAL 9 2HG2 VAL 9 50.674 94.458 78.952 44 3HG2 VAL 9 3HG2 VAL 9 50.810 95.739 80.152 45 H GLU 10 H GLU 10 51.633 95.463 74.710 46 HA GLU 10 HA GLU 10 53.799 97.390 73.876 47 1HB GLU 10 1HB GLU 10 53.584 95.156 72.759 48 2HB GLU 10 2HB GLU 10 51.925 95.572 72.327 49 1HG GLU 10 1HG GLU 10 52.741 97.535 71.070 50 2HG GLU 10 2HG GLU 10 54.400 97.120 71.499 51 H VAL 11 H VAL 11 53.239 99.407 73.484 52 HA VAL 11 HA VAL 11 50.338 100.063 73.104 53 HB VAL 11 HB VAL 11 52.615 101.670 74.314 54 1HG1 VAL 11 1HG1 VAL 11 49.813 102.322 73.548 55 2HG1 VAL 11 2HG1 VAL 11 51.228 103.371 73.636 56 3HG1 VAL 11 3HG1 VAL 11 50.363 102.929 75.109 57 1HG2 VAL 11 1HG2 VAL 11 50.433 99.943 75.436 58 2HG2 VAL 11 2HG2 VAL 11 50.925 101.374 76.342 59 3HG2 VAL 11 3HG2 VAL 11 52.105 100.116 75.969 60 H GLU 12 H GLU 12 49.819 101.317 71.280 61 HA GLU 12 HA GLU 12 52.100 102.202 69.529 62 1HB GLU 12 1HB GLU 12 49.390 100.981 68.936 63 2HB GLU 12 2HB GLU 12 50.419 101.693 67.694 64 1HG GLU 12 1HG GLU 12 52.231 100.124 68.289 65 2HG GLU 12 2HG GLU 12 51.202 99.407 69.529 66 H VAL 13 H VAL 13 52.008 104.313 68.847 67 HA VAL 13 HA VAL 13 49.494 105.874 69.355 68 HB VAL 13 HB VAL 13 52.383 106.688 69.829 69 1HG1 VAL 13 1HG1 VAL 13 51.170 108.618 71.037 70 2HG1 VAL 13 2HG1 VAL 13 49.741 108.121 70.132 71 3HG1 VAL 13 3HG1 VAL 13 51.185 108.658 69.274 72 1HG2 VAL 13 1HG2 VAL 13 50.177 105.717 71.636 73 2HG2 VAL 13 2HG2 VAL 13 51.412 106.813 72.256 74 3HG2 VAL 13 3HG2 VAL 13 51.875 105.240 71.608 75 H SER 14 H SER 14 48.863 107.177 67.683 76 HA SER 14 HA SER 14 50.766 107.499 65.387 77 1HB SER 14 1HB SER 14 47.773 107.006 65.397 78 2HB SER 14 2HB SER 14 48.751 107.248 63.953 79 HG SER 14 HG SER 14 48.547 105.063 65.646 80 HA PRO 15 HA PRO 15 49.430 111.728 66.401 81 1HB PRO 15 1HB PRO 15 51.712 112.983 65.614 82 2HB PRO 15 2HB PRO 15 51.548 112.215 67.206 83 1HG PRO 15 1HG PRO 15 52.906 111.219 64.756 84 2HG PRO 15 2HG PRO 15 53.390 111.079 66.454 85 1HD PRO 15 1HD PRO 15 52.238 109.052 65.048 86 2HD PRO 15 2HD PRO 15 52.090 109.235 66.809 87 H ARG 16 H ARG 16 49.161 113.655 65.043 88 HA ARG 16 HA ARG 16 49.549 113.414 62.127 89 1HB ARG 16 1HB ARG 16 47.093 113.529 61.706 90 2HB ARG 16 2HB ARG 16 47.555 112.040 62.527 91 1HG ARG 16 1HG ARG 16 46.878 112.995 64.684 92 2HG ARG 16 2HG ARG 16 46.453 114.513 63.895 93 1HD ARG 16 1HD ARG 16 44.559 113.612 62.877 94 2HD ARG 16 2HD ARG 16 45.210 111.960 62.903 95 HE ARG 16 HE ARG 16 44.398 113.385 65.412 96 1HH1 ARG 16 1HH2 ARG 16 42.367 111.638 64.006 97 2HH1 ARG 16 2HH2 ARG 16 42.570 110.131 64.837 98 1HH2 ARG 16 2HH1 ARG 16 45.630 111.002 66.217 99 2HH2 ARG 16 1HH1 ARG 16 44.417 109.771 66.088 100 H PHE 17 H PHE 17 49.803 115.393 61.293 101 HA PHE 17 HA PHE 17 49.966 117.760 62.849 102 1HB PHE 17 1HB PHE 17 51.086 117.283 60.688 103 2HB PHE 17 2HB PHE 17 49.534 117.426 59.867 104 HD1 PHE 17 HD1 PHE 17 51.907 119.301 62.061 105 HD2 PHE 17 HD2 PHE 17 48.721 119.535 59.189 106 HE1 PHE 17 HE1 PHE 17 52.202 121.760 61.936 107 HE2 PHE 17 HE2 PHE 17 49.017 121.996 59.064 108 HZ PHE 17 HZ PHE 17 50.757 123.107 60.436 109 H LEU 18 H LEU 18 48.509 119.410 63.278 110 HA LEU 18 HA LEU 18 45.702 119.140 62.211 111 1HB LEU 18 1HB LEU 18 46.812 120.104 64.866 112 2HB LEU 18 2HB LEU 18 45.127 120.301 64.393 113 HG LEU 18 HG LEU 18 46.562 117.634 64.522 114 1HD1 LEU 18 1HD1 LEU 18 45.097 119.246 66.543 115 2HD1 LEU 18 2HD1 LEU 18 46.339 118.014 66.769 116 3HD1 LEU 18 3HD1 LEU 18 44.669 117.537 66.462 117 1HD2 LEU 18 1HD2 LEU 18 44.119 116.848 64.477 118 2HD2 LEU 18 2HD2 LEU 18 44.752 117.503 62.967 119 3HD2 LEU 18 3HD2 LEU 18 43.707 118.491 63.988 120 H ALA 19 H ALA 19 46.342 120.430 60.406 121 HA ALA 19 HA ALA 19 47.346 123.162 60.561 122 1HB ALA 19 1HB ALA 19 45.551 122.136 58.402 123 2HB ALA 19 2HB ALA 19 47.110 121.348 58.645 124 3HB ALA 19 3HB ALA 19 47.042 123.070 58.273 125 H HIS 20 H HIS 20 44.065 121.756 60.552 126 HA HIS 20 HA HIS 20 42.705 124.276 60.201 127 1HB HIS 20 1HB HIS 20 41.903 121.557 61.273 128 2HB HIS 20 2HB HIS 20 40.747 122.868 61.040 129 HD1 HIS 20 HD1 HIS 20 42.979 120.513 59.138 130 HD2 HIS 20 HD2 HIS 20 40.131 123.448 58.329 131 HE1 HIS 20 HE1 HIS 20 42.450 120.336 56.668 132 H GLN 21 H GLN 21 44.091 122.715 63.006 133 HA GLN 21 HA GLN 21 42.822 124.814 64.740 134 1HB GLN 21 1HB GLN 21 42.265 122.267 64.954 135 2HB GLN 21 2HB GLN 21 43.854 122.157 65.714 136 1HG GLN 21 1HG GLN 21 42.242 122.507 67.473 137 2HG GLN 21 2HG GLN 21 43.136 124.014 67.273 138 1HE2 GLN 21 1HE2 GLN 21 41.751 125.782 67.325 139 2HE2 GLN 21 2HE2 GLN 21 40.174 125.808 66.698 140 H SER 22 H SER 22 45.387 125.057 63.259 141 HA SER 22 HA SER 22 47.091 125.730 65.580 142 1HB SER 22 1HB SER 22 48.865 124.276 64.972 143 2HB SER 22 2HB SER 22 47.416 123.287 64.825 144 HG SER 22 HG SER 22 48.692 123.066 62.978 145 H THR 23 H THR 23 48.670 127.316 65.055 146 HA THR 23 HA THR 23 48.600 128.361 62.245 147 HB THR 23 HB THR 23 47.355 129.805 63.801 148 HG1 THR 23 HG1 THR 23 48.268 131.127 62.438 149 1HG2 THR 23 1HG2 THR 23 49.887 130.332 65.336 150 2HG2 THR 23 2HG2 THR 23 48.809 129.031 65.824 151 3HG2 THR 23 3HG2 THR 23 48.224 130.689 65.789 152 HA PRO 24 HA PRO 24 52.868 127.089 63.189 153 1HB PRO 24 1HB PRO 24 53.662 126.823 60.590 154 2HB PRO 24 2HB PRO 24 52.795 125.550 61.473 155 1HG PRO 24 1HG PRO 24 51.753 127.536 59.518 156 2HG PRO 24 2HG PRO 24 51.361 125.819 59.702 157 1HD PRO 24 1HD PRO 24 49.760 127.799 60.620 158 2HD PRO 24 2HD PRO 24 49.866 126.203 61.393 159 H ASP 25 H ASP 25 51.642 129.672 61.144 160 HA ASP 25 HA ASP 25 54.150 130.930 60.557 161 1HB ASP 25 1HB ASP 25 51.290 131.920 60.757 162 2HB ASP 25 2HB ASP 25 52.608 132.937 60.173 163 H GLU 26 H GLU 26 52.228 130.881 63.471 164 HA GLU 26 HA GLU 26 53.822 133.152 64.595 165 1HB GLU 26 1HB GLU 26 51.235 131.784 65.368 166 2HB GLU 26 2HB GLU 26 52.009 133.006 66.376 167 1HG GLU 26 1HG GLU 26 51.906 134.618 64.511 168 2HG GLU 26 2HG GLU 26 51.127 133.398 63.502 169 H GLY 27 H GLY 27 54.649 130.185 64.260 170 1HA GLY 27 1HA GLY 27 56.004 128.720 65.494 171 2HA GLY 27 2HA GLY 27 56.056 129.942 66.765 172 H ARG 28 H ARG 28 53.028 128.680 65.554 173 HA ARG 28 HA ARG 28 52.636 127.227 68.154 174 1HB ARG 28 1HB ARG 28 50.795 128.915 66.444 175 2HB ARG 28 2HB ARG 28 50.213 127.919 67.778 176 1HG ARG 28 1HG ARG 28 51.707 129.123 69.332 177 2HG ARG 28 2HG ARG 28 52.283 130.125 67.999 178 1HD ARG 28 1HD ARG 28 49.881 130.853 67.623 179 2HD ARG 28 2HD ARG 28 49.474 130.032 69.143 180 HE ARG 28 HE ARG 28 51.156 132.450 68.889 181 1HH1 ARG 28 2HH1 ARG 28 48.828 131.713 70.839 182 2HH1 ARG 28 1HH1 ARG 28 49.709 131.623 72.327 183 1HH2 ARG 28 1HH2 ARG 28 52.814 131.520 70.789 184 2HH2 ARG 28 2HH2 ARG 28 51.966 131.513 72.298 185 H TYR 29 H TYR 29 53.159 125.132 67.295 186 HA TYR 29 HA TYR 29 51.496 124.175 64.992 187 1HB TYR 29 1HB TYR 29 53.955 122.972 66.321 188 2HB TYR 29 2HB TYR 29 53.212 122.435 64.816 189 HD1 TYR 29 HD1 TYR 29 55.096 125.183 66.436 190 HD2 TYR 29 HD2 TYR 29 53.591 123.600 62.738 191 HE1 TYR 29 HE1 TYR 29 56.475 126.814 65.177 192 HE2 TYR 29 HE2 TYR 29 54.972 125.233 61.481 193 HH TYR 29 HH TYR 29 57.365 126.582 62.234 194 H ALA 30 H ALA 30 49.926 122.654 65.408 195 HA ALA 30 HA ALA 30 49.811 121.560 68.194 196 1HB ALA 30 1HB ALA 30 48.066 123.221 67.182 197 2HB ALA 30 2HB ALA 30 47.475 121.830 68.092 198 3HB ALA 30 3HB ALA 30 47.457 121.802 66.330 199 H PHE 31 H PHE 31 50.193 119.382 68.307 200 HA PHE 31 HA PHE 31 49.502 117.672 65.935 201 1HB PHE 31 1HB PHE 31 51.651 117.465 68.068 202 2HB PHE 31 2HB PHE 31 51.324 116.195 66.889 203 HD1 PHE 31 HD1 PHE 31 52.525 119.663 67.345 204 HD2 PHE 31 HD2 PHE 31 51.957 116.435 64.570 205 HE1 PHE 31 HE1 PHE 31 53.954 120.832 65.692 206 HE2 PHE 31 HE2 PHE 31 53.385 117.606 62.916 207 HZ PHE 31 HZ PHE 31 54.384 119.806 63.477 208 H ALA 32 H ALA 32 47.955 116.067 66.351 209 HA ALA 32 HA ALA 32 47.270 115.505 69.222 210 1HB ALA 32 1HB ALA 32 45.718 115.745 66.647 211 2HB ALA 32 2HB ALA 32 45.399 116.513 68.203 212 3HB ALA 32 3HB ALA 32 45.069 114.796 67.984 213 H TYR 33 H TYR 33 47.569 113.364 69.853 214 HA TYR 33 HA TYR 33 47.914 111.357 67.647 215 1HB TYR 33 1HB TYR 33 49.716 110.365 69.028 216 2HB TYR 33 2HB TYR 33 50.059 112.039 68.600 217 HD1 TYR 33 HD1 TYR 33 49.124 109.738 71.314 218 HD2 TYR 33 HD2 TYR 33 49.987 113.813 70.275 219 HE1 TYR 33 HE1 TYR 33 49.356 110.300 73.718 220 HE2 TYR 33 HE2 TYR 33 50.216 114.375 72.676 221 HH TYR 33 HH TYR 33 50.431 111.982 75.112 222 H SER 34 H SER 34 47.130 109.247 68.074 223 HA SER 34 HA SER 34 45.212 109.049 70.356 224 1HB SER 34 1HB SER 34 45.546 107.797 67.639 225 2HB SER 34 2HB SER 34 44.567 106.982 68.856 226 HG SER 34 HG SER 34 44.256 109.698 68.077 227 H ILE 35 H ILE 35 45.475 107.453 71.908 228 HA ILE 35 HA ILE 35 48.055 105.915 71.894 229 HB ILE 35 HB ILE 35 46.055 106.691 74.032 230 1HG1 ILE 35 1HG1 ILE 35 47.300 108.601 73.091 231 2HG1 ILE 35 2HG1 ILE 35 47.834 108.267 74.734 232 1HG2 ILE 35 1HG2 ILE 35 48.557 105.039 74.069 233 2HG2 ILE 35 2HG2 ILE 35 47.061 104.822 74.976 234 3HG2 ILE 35 3HG2 ILE 35 48.207 106.075 75.453 235 1HD1 ILE 35 1HD1 ILE 35 49.299 107.951 72.167 236 2HD1 ILE 35 2HD1 ILE 35 49.578 106.705 73.381 237 3HD1 ILE 35 3HD1 ILE 35 49.908 108.394 73.761 238 H ARG 36 H ARG 36 48.043 103.776 71.693 239 HA ARG 36 HA ARG 36 45.481 102.252 72.083 240 1HB ARG 36 1HB ARG 36 47.754 101.845 70.109 241 2HB ARG 36 2HB ARG 36 46.334 100.808 70.240 242 1HG ARG 36 1HG ARG 36 46.154 103.784 69.713 243 2HG ARG 36 2HG ARG 36 46.208 102.581 68.424 244 1HD ARG 36 1HD ARG 36 44.143 102.592 70.656 245 2HD ARG 36 2HD ARG 36 43.860 103.214 69.018 246 HE ARG 36 HE ARG 36 44.261 100.370 69.738 247 1HH1 ARG 36 1HH2 ARG 36 42.072 101.626 67.975 248 2HH1 ARG 36 2HH2 ARG 36 42.566 101.073 66.410 249 1HH2 ARG 36 2HH1 ARG 36 45.750 100.168 67.443 250 2HH2 ARG 36 1HH1 ARG 36 44.649 100.247 66.109 251 H ILE 37 H ILE 37 45.941 101.528 74.176 252 HA ILE 37 HA ILE 37 48.541 100.232 74.821 253 HB ILE 37 HB ILE 37 46.018 100.751 76.427 254 1HG1 ILE 37 1HG1 ILE 37 48.644 102.267 76.461 255 2HG1 ILE 37 2HG1 ILE 37 47.244 102.787 75.521 256 1HG2 ILE 37 1HG2 ILE 37 47.360 100.267 78.368 257 2HG2 ILE 37 2HG2 ILE 37 48.828 100.161 77.396 258 3HG2 ILE 37 3HG2 ILE 37 47.580 98.924 77.245 259 1HD1 ILE 37 1HD1 ILE 37 46.891 103.962 77.494 260 2HD1 ILE 37 2HD1 ILE 37 47.601 102.696 78.496 261 3HD1 ILE 37 3HD1 ILE 37 45.983 102.487 77.826 262 H GLN 38 H GLN 38 48.765 98.092 74.337 263 HA GLN 38 HA GLN 38 46.352 96.309 74.547 264 1HB GLN 38 1HB GLN 38 47.253 96.615 72.246 265 2HB GLN 38 2HB GLN 38 48.842 96.096 72.810 266 1HG GLN 38 1HG GLN 38 47.959 93.896 73.397 267 2HG GLN 38 2HG GLN 38 46.329 94.405 72.957 268 1HE2 GLN 38 1HE2 GLN 38 47.467 92.181 71.643 269 2HE2 GLN 38 2HE2 GLN 38 47.807 92.592 70.032 270 H ASN 39 H ASN 39 46.500 94.689 75.983 271 HA ASN 39 HA ASN 39 48.993 94.443 77.552 272 1HB ASN 39 1HB ASN 39 46.738 94.761 78.595 273 2HB ASN 39 2HB ASN 39 46.257 93.189 77.955 274 1HD2 ASN 39 1HD2 ASN 39 46.458 93.884 80.818 275 2HD2 ASN 39 2HD2 ASN 39 47.633 92.857 81.484 276 H ALA 40 H ALA 40 50.446 92.860 76.958 277 HA ALA 40 HA ALA 40 49.388 90.355 75.682 278 1HB ALA 40 1HB ALA 40 51.635 90.293 74.595 279 2HB ALA 40 2HB ALA 40 52.038 91.812 75.396 280 3HB ALA 40 3HB ALA 40 50.747 91.764 74.195 281 H GLY 41 H GLY 41 50.182 91.284 78.639 282 1HA GLY 41 1HA GLY 41 52.292 89.361 79.291 283 2HA GLY 41 2HA GLY 41 51.399 90.353 80.445 284 H ALA 42 H ALA 42 51.479 88.081 81.542 285 HA ALA 42 HA ALA 42 49.303 86.323 80.530 286 1HB ALA 42 1HB ALA 42 50.531 84.611 81.431 287 2HB ALA 42 2HB ALA 42 50.984 85.557 82.849 288 3HB ALA 42 3HB ALA 42 51.840 85.789 81.325 289 H VAL 43 H VAL 43 50.295 88.308 83.239 290 HA VAL 43 HA VAL 43 47.785 87.620 84.725 291 HB VAL 43 HB VAL 43 50.436 88.869 85.559 292 1HG1 VAL 43 1HG1 VAL 43 48.219 87.928 87.387 293 2HG1 VAL 43 2HG1 VAL 43 48.372 89.608 86.872 294 3HG1 VAL 43 3HG1 VAL 43 49.657 88.852 87.815 295 1HG2 VAL 43 1HG2 VAL 43 50.791 86.739 86.730 296 2HG2 VAL 43 2HG2 VAL 43 50.527 86.452 85.011 297 3HG2 VAL 43 3HG2 VAL 43 49.227 86.153 86.165 298 HA PRO 44 HA PRO 44 46.016 91.492 83.624 299 1HB PRO 44 1HB PRO 44 44.710 92.147 85.949 300 2HB PRO 44 2HB PRO 44 44.095 90.963 84.774 301 1HG PRO 44 1HG PRO 44 45.647 90.492 87.285 302 2HG PRO 44 2HG PRO 44 44.189 89.669 86.695 303 1HD PRO 44 1HD PRO 44 46.564 88.538 86.394 304 2HD PRO 44 2HD PRO 44 45.361 88.456 85.092 305 H ALA 45 H ALA 45 46.639 93.632 83.762 306 HA ALA 45 HA ALA 45 48.377 94.488 86.058 307 1HB ALA 45 1HB ALA 45 49.572 93.613 83.966 308 2HB ALA 45 2HB ALA 45 50.037 95.219 84.528 309 3HB ALA 45 3HB ALA 45 48.951 95.046 83.148 310 H ARG 46 H ARG 46 48.367 96.707 86.458 311 HA ARG 46 HA ARG 46 46.343 98.361 84.975 312 1HB ARG 46 1HB ARG 46 45.537 97.604 87.173 313 2HB ARG 46 2HB ARG 46 47.011 98.189 87.938 314 1HG ARG 46 1HG ARG 46 46.428 100.504 87.169 315 2HG ARG 46 2HG ARG 46 44.897 99.874 86.567 316 1HD ARG 46 1HD ARG 46 44.615 100.842 88.831 317 2HD ARG 46 2HD ARG 46 44.335 99.091 88.868 318 HE ARG 46 HE ARG 46 47.114 99.951 89.362 319 1HH1 ARG 46 1HH2 ARG 46 44.659 100.590 91.344 320 2HH1 ARG 46 2HH2 ARG 46 45.003 99.398 92.552 321 1HH2 ARG 46 2HH1 ARG 46 47.312 97.700 90.599 322 2HH2 ARG 46 1HH1 ARG 46 46.505 97.762 92.130 323 H LEU 47 H LEU 47 46.877 100.633 84.830 324 HA LEU 47 HA LEU 47 49.808 101.163 84.996 325 1HB LEU 47 1HB LEU 47 48.344 101.509 82.924 326 2HB LEU 47 2HB LEU 47 47.601 102.853 83.790 327 HG LEU 47 HG LEU 47 50.595 102.663 83.494 328 1HD1 LEU 47 1HD1 LEU 47 50.060 104.426 81.595 329 2HD1 LEU 47 2HD1 LEU 47 48.538 103.539 81.497 330 3HD1 LEU 47 3HD1 LEU 47 50.067 102.700 81.231 331 1HD2 LEU 47 1HD2 LEU 47 49.994 105.277 83.490 332 2HD2 LEU 47 2HD2 LEU 47 50.177 104.369 84.989 333 3HD2 LEU 47 3HD2 LEU 47 48.567 104.683 84.340 334 H VAL 48 H VAL 48 50.509 102.203 86.827 335 HA VAL 48 HA VAL 48 48.555 103.821 88.383 336 HB VAL 48 HB VAL 48 51.304 102.710 89.051 337 1HG1 VAL 48 1HG1 VAL 48 49.198 103.929 90.863 338 2HG1 VAL 48 2HG1 VAL 48 50.682 104.738 90.362 339 3HG1 VAL 48 3HG1 VAL 48 50.762 103.290 91.366 340 1HG2 VAL 48 1HG2 VAL 48 49.337 101.094 88.649 341 2HG2 VAL 48 2HG2 VAL 48 48.623 101.790 90.103 342 3HG2 VAL 48 3HG2 VAL 48 50.175 100.956 90.195 343 H ALA 49 H ALA 49 51.556 104.137 86.541 344 HA ALA 49 HA ALA 49 51.365 107.084 86.987 345 1HB ALA 49 1HB ALA 49 54.089 105.917 86.945 346 2HB ALA 49 2HB ALA 49 53.106 105.516 88.354 347 3HB ALA 49 3HB ALA 49 53.432 107.204 87.958 348 H ARG 50 H ARG 50 52.709 108.326 85.438 349 HA ARG 50 HA ARG 50 53.386 106.948 82.851 350 1HB ARG 50 1HB ARG 50 52.022 108.558 81.655 351 2HB ARG 50 2HB ARG 50 51.012 107.768 82.861 352 1HG ARG 50 1HG ARG 50 51.522 109.735 84.398 353 2HG ARG 50 2HG ARG 50 52.227 110.539 82.997 354 1HD ARG 50 1HD ARG 50 49.834 109.721 81.954 355 2HD ARG 50 2HD ARG 50 49.381 110.047 83.638 356 HE ARG 50 HE ARG 50 50.768 112.036 81.881 357 1HH1 ARG 50 1HH2 ARG 50 47.816 111.620 83.198 358 2HH1 ARG 50 2HH2 ARG 50 47.820 113.028 84.207 359 1HH2 ARG 50 2HH1 ARG 50 51.200 113.662 83.762 360 2HH2 ARG 50 1HH1 ARG 50 49.735 114.185 84.525 361 H HIS 51 H HIS 51 55.146 107.817 81.876 362 HA HIS 51 HA HIS 51 56.155 110.494 82.729 363 1HB HIS 51 1HB HIS 51 57.171 108.755 84.171 364 2HB HIS 51 2HB HIS 51 57.705 107.880 82.736 365 HD1 HIS 51 HD1 HIS 51 60.198 108.250 83.611 366 HD2 HIS 51 HD2 HIS 51 58.165 111.730 82.545 367 HE1 HIS 51 HE1 HIS 51 61.951 110.065 83.393 368 H TRP 52 H TRP 52 56.246 111.568 80.814 369 HA TRP 52 HA TRP 52 57.009 110.110 78.318 370 1HB TRP 52 1HB TRP 52 55.578 112.660 79.042 371 2HB TRP 52 2HB TRP 52 56.193 112.417 77.409 372 HD1 TRP 52 HD1 TRP 52 53.284 111.677 79.543 373 HE1 TRP 52 HE1 TRP 52 51.717 109.990 78.383 374 HE3 TRP 52 HE3 TRP 52 56.335 110.092 75.770 375 HZ2 TRP 52 HZ2 TRP 52 51.755 108.207 76.148 376 HZ3 TRP 52 HZ3 TRP 52 55.547 108.399 74.141 377 HH2 TRP 52 HH2 TRP 52 53.261 107.454 74.326 378 H GLN 53 H GLN 53 58.942 110.518 77.340 379 HA GLN 53 HA GLN 53 60.644 112.763 78.384 380 1HB GLN 53 1HB GLN 53 61.168 109.961 77.393 381 2HB GLN 53 2HB GLN 53 62.460 111.161 77.412 382 1HG GLN 53 1HG GLN 53 60.853 110.950 79.900 383 2HG GLN 53 2HG GLN 53 61.887 109.570 79.532 384 1HE2 GLN 53 1HE2 GLN 53 62.277 111.579 81.704 385 2HE2 GLN 53 2HE2 GLN 53 63.789 112.293 81.412 386 H ILE 54 H ILE 54 59.480 114.131 76.698 387 HA ILE 54 HA ILE 54 59.970 113.461 73.868 388 HB ILE 54 HB ILE 54 58.555 115.362 73.441 389 1HG1 ILE 54 1HG1 ILE 54 58.699 116.034 76.394 390 2HG1 ILE 54 2HG1 ILE 54 59.591 116.893 75.142 391 1HG2 ILE 54 1HG2 ILE 54 57.468 113.294 74.282 392 2HG2 ILE 54 2HG2 ILE 54 56.558 114.747 74.694 393 3HG2 ILE 54 3HG2 ILE 54 57.541 113.946 75.920 394 1HD1 ILE 54 1HD1 ILE 54 56.606 116.742 75.520 395 2HD1 ILE 54 2HD1 ILE 54 57.326 117.240 73.988 396 3HD1 ILE 54 3HD1 ILE 54 57.628 118.178 75.450 397 H THR 55 H THR 55 61.644 114.167 72.689 398 HA THR 55 HA THR 55 63.282 116.477 73.691 399 HB THR 55 HB THR 55 64.129 113.941 72.221 400 HG1 THR 55 HG1 THR 55 64.026 113.272 74.220 401 1HG2 THR 55 1HG2 THR 55 66.416 115.102 73.192 402 2HG2 THR 55 2HG2 THR 55 65.471 116.515 72.724 403 3HG2 THR 55 3HG2 THR 55 65.838 115.266 71.534 404 H ASP 56 H ASP 56 63.455 118.125 72.313 405 HA ASP 56 HA ASP 56 62.130 117.891 69.700 406 1HB ASP 56 1HB ASP 56 61.813 119.740 71.434 407 2HB ASP 56 2HB ASP 56 63.418 120.313 70.980 408 H GLY 57 H GLY 57 63.205 119.089 67.834 409 1HA GLY 57 1HA GLY 57 65.654 117.834 67.122 410 2HA GLY 57 2HA GLY 57 64.914 119.167 66.246 411 H ASN 58 H ASN 58 65.296 120.491 69.242 412 HA ASN 58 HA ASN 58 67.965 121.592 68.488 413 1HB ASN 58 1HB ASN 58 65.749 122.566 70.326 414 2HB ASN 58 2HB ASN 58 67.262 123.432 70.057 415 1HD2 ASN 58 1HD2 ASN 58 67.712 123.456 67.414 416 2HD2 ASN 58 2HD2 ASN 58 66.391 124.058 66.533 417 H GLY 59 H GLY 59 66.913 119.124 70.337 418 1HA GLY 59 1HA GLY 59 68.316 117.886 71.839 419 2HA GLY 59 2HA GLY 59 69.239 119.353 72.147 420 H ARG 60 H ARG 60 66.650 120.880 72.626 421 HA ARG 60 HA ARG 60 66.546 120.612 75.476 422 1HB ARG 60 1HB ARG 60 65.244 122.104 73.317 423 2HB ARG 60 2HB ARG 60 64.128 121.751 74.634 424 1HG ARG 60 1HG ARG 60 65.023 123.513 75.724 425 2HG ARG 60 2HG ARG 60 66.476 122.539 75.936 426 1HD ARG 60 1HD ARG 60 67.027 124.720 74.894 427 2HD ARG 60 2HD ARG 60 67.338 123.398 73.752 428 HE ARG 60 HE ARG 60 64.710 124.029 73.237 429 1HH1 ARG 60 2HH1 ARG 60 67.430 124.872 71.792 430 2HH1 ARG 60 1HH1 ARG 60 67.027 126.515 71.422 431 1HH2 ARG 60 1HH2 ARG 60 64.254 126.582 73.504 432 2HH2 ARG 60 2HH2 ARG 60 65.229 127.483 72.391 433 H THR 61 H THR 61 65.157 119.399 76.810 434 HA THR 61 HA THR 61 63.178 117.646 75.409 435 HB THR 61 HB THR 61 63.934 115.821 76.910 436 HG1 THR 61 HG1 THR 61 64.611 117.023 78.659 437 1HG2 THR 61 1HG2 THR 61 65.762 115.291 75.629 438 2HG2 THR 61 2HG2 THR 61 66.507 116.873 75.848 439 3HG2 THR 61 3HG2 THR 61 65.190 116.672 74.694 440 H GLU 62 H GLU 62 61.262 117.177 76.654 441 HA GLU 62 HA GLU 62 60.985 118.740 79.203 442 1HB GLU 62 1HB GLU 62 59.794 119.662 77.213 443 2HB GLU 62 2HB GLU 62 58.926 118.135 77.055 444 1HG GLU 62 1HG GLU 62 57.978 118.434 79.314 445 2HG GLU 62 2HG GLU 62 58.842 119.962 79.475 446 H GLN 63 H GLN 63 60.699 117.384 80.904 447 HA GLN 63 HA GLN 63 59.647 114.619 80.453 448 1HB GLN 63 1HB GLN 63 61.121 115.979 82.728 449 2HB GLN 63 2HB GLN 63 60.672 114.273 82.697 450 1HG GLN 63 1HG GLN 63 62.046 113.901 80.719 451 2HG GLN 63 2HG GLN 63 62.419 115.622 80.619 452 1HE2 GLN 63 1HE2 GLN 63 64.200 116.365 81.825 453 2HE2 GLN 63 2HE2 GLN 63 65.036 115.430 82.967 454 H VAL 64 H VAL 64 57.667 114.048 81.279 455 HA VAL 64 HA VAL 64 56.357 115.910 83.238 456 HB VAL 64 HB VAL 64 55.150 114.438 80.865 457 1HG1 VAL 64 1HG1 VAL 64 53.554 114.638 82.717 458 2HG1 VAL 64 2HG1 VAL 64 53.112 115.751 81.422 459 3HG1 VAL 64 3HG1 VAL 64 53.919 116.357 82.869 460 1HG2 VAL 64 1HG2 VAL 64 55.689 117.387 81.357 461 2HG2 VAL 64 2HG2 VAL 64 54.814 116.736 79.970 462 3HG2 VAL 64 3HG2 VAL 64 56.523 116.361 80.190 463 H ASP 65 H ASP 65 55.645 114.926 85.033 464 HA ASP 65 HA ASP 65 55.293 111.941 85.044 465 1HB ASP 65 1HB ASP 65 56.260 112.046 87.329 466 2HB ASP 65 2HB ASP 65 57.384 112.671 86.122 467 H GLY 66 H GLY 66 53.247 111.359 85.674 468 1HA GLY 66 1HA GLY 66 51.818 112.988 87.683 469 2HA GLY 66 2HA GLY 66 51.039 112.835 86.108 470 H GLU 67 H GLU 67 50.128 111.783 88.723 471 HA GLU 67 HA GLU 67 50.523 108.893 88.696 472 1HB GLU 67 1HB GLU 67 48.814 108.997 90.499 473 2HB GLU 67 2HB GLU 67 50.088 110.189 90.745 474 1HG GLU 67 1HG GLU 67 48.705 111.983 90.067 475 2HG GLU 67 2HG GLU 67 47.549 110.909 89.279 476 H GLY 68 H GLY 68 48.830 107.324 88.205 477 1HA GLY 68 1HA GLY 68 47.208 106.417 86.786 478 2HA GLY 68 2HA GLY 68 46.263 107.837 87.219 479 H VAL 69 H VAL 69 45.598 107.260 84.866 480 HA VAL 69 HA VAL 69 47.222 108.940 82.965 481 HB VAL 69 HB VAL 69 46.411 107.290 81.218 482 1HG1 VAL 69 1HG1 VAL 69 48.365 106.715 83.382 483 2HG1 VAL 69 2HG1 VAL 69 48.622 106.880 81.646 484 3HG1 VAL 69 3HG1 VAL 69 47.963 105.381 82.302 485 1HG2 VAL 69 1HG2 VAL 69 45.778 105.566 83.635 486 2HG2 VAL 69 2HG2 VAL 69 45.606 105.111 81.941 487 3HG2 VAL 69 3HG2 VAL 69 44.557 106.347 82.632 488 H VAL 70 H VAL 70 46.119 110.553 82.171 489 HA VAL 70 HA VAL 70 44.365 112.072 81.901 490 HB VAL 70 HB VAL 70 42.801 111.287 80.203 491 1HG1 VAL 70 1HG1 VAL 70 45.659 110.774 80.094 492 2HG1 VAL 70 2HG1 VAL 70 44.591 111.439 78.862 493 3HG1 VAL 70 3HG1 VAL 70 44.774 109.693 79.016 494 1HG2 VAL 70 1HG2 VAL 70 42.498 108.957 79.660 495 2HG2 VAL 70 2HG2 VAL 70 42.224 109.147 81.388 496 3HG2 VAL 70 3HG2 VAL 70 43.745 108.471 80.806 497 H GLY 71 H GLY 71 44.254 110.861 84.474 498 1HA GLY 71 1HA GLY 71 42.776 111.171 86.286 499 2HA GLY 71 2HA GLY 71 41.480 111.483 85.142 500 H GLU 72 H GLU 72 43.176 108.514 84.582 501 HA GLU 72 HA GLU 72 41.250 106.998 86.283 502 1HB GLU 72 1HB GLU 72 40.504 105.687 84.314 503 2HB GLU 72 2HB GLU 72 40.110 107.398 84.161 504 1HG GLU 72 1HG GLU 72 41.956 107.769 82.681 505 2HG GLU 72 2HG GLU 72 42.603 106.159 82.980 506 H GLN 73 H GLN 73 41.819 104.846 86.681 507 HA GLN 73 HA GLN 73 44.640 104.055 85.986 508 1HB GLN 73 1HB GLN 73 42.838 103.605 88.384 509 2HB GLN 73 2HB GLN 73 44.377 102.772 88.165 510 1HG GLN 73 1HG GLN 73 45.597 104.845 88.199 511 2HG GLN 73 2HG GLN 73 44.108 105.787 88.127 512 1HE2 GLN 73 1HE2 GLN 73 44.183 106.827 90.173 513 2HE2 GLN 73 2HE2 GLN 73 44.219 105.988 91.649 514 HA PRO 74 HA PRO 74 41.506 101.203 83.989 515 1HB PRO 74 1HB PRO 74 43.072 100.568 81.843 516 2HB PRO 74 2HB PRO 74 41.983 101.970 81.874 517 1HG PRO 74 1HG PRO 74 44.925 101.849 82.314 518 2HG PRO 74 2HG PRO 74 43.964 103.044 81.429 519 1HD PRO 74 1HD PRO 74 44.906 103.477 83.930 520 2HD PRO 74 2HD PRO 74 43.395 104.193 83.328 521 H TRP 75 H TRP 75 41.486 99.050 84.372 522 HA TRP 75 HA TRP 75 43.970 97.710 85.360 523 1HB TRP 75 1HB TRP 75 41.656 97.932 86.580 524 2HB TRP 75 2HB TRP 75 41.134 96.673 85.464 525 HD1 TRP 75 HD1 TRP 75 43.835 97.312 88.138 526 HE1 TRP 75 HE1 TRP 75 44.508 95.047 89.166 527 HE3 TRP 75 HE3 TRP 75 41.084 94.161 85.209 528 HZ2 TRP 75 HZ2 TRP 75 43.952 92.267 88.798 529 HZ3 TRP 75 HZ3 TRP 75 41.172 91.711 85.573 530 HH2 TRP 75 HH2 TRP 75 42.601 90.760 87.362 531 H LEU 76 H LEU 76 44.617 97.600 82.976 532 HA LEU 76 HA LEU 76 43.131 96.222 80.993 533 1HB LEU 76 1HB LEU 76 45.945 97.007 81.507 534 2HB LEU 76 2HB LEU 76 45.702 95.759 80.284 535 HG LEU 76 HG LEU 76 44.262 98.428 80.327 536 1HD1 LEU 76 1HD1 LEU 76 46.458 97.490 78.466 537 2HD1 LEU 76 2HD1 LEU 76 46.747 98.530 79.861 538 3HD1 LEU 76 3HD1 LEU 76 45.728 99.093 78.536 539 1HD2 LEU 76 1HD2 LEU 76 44.043 97.489 77.803 540 2HD2 LEU 76 2HD2 LEU 76 42.850 97.137 79.051 541 3HD2 LEU 76 3HD2 LEU 76 44.104 95.957 78.671 542 H ARG 77 H ARG 77 42.449 94.161 81.008 543 HA ARG 77 HA ARG 77 43.775 92.094 82.648 544 1HB ARG 77 1HB ARG 77 41.281 92.393 80.983 545 2HB ARG 77 2HB ARG 77 41.815 90.783 81.464 546 1HG ARG 77 1HG ARG 77 41.321 91.131 83.670 547 2HG ARG 77 2HG ARG 77 41.778 92.833 83.612 548 1HD ARG 77 1HD ARG 77 39.355 92.674 83.938 549 2HD ARG 77 2HD ARG 77 39.665 93.279 82.298 550 HE ARG 77 HE ARG 77 39.273 90.986 81.459 551 1HH1 ARG 77 1HH2 ARG 77 37.325 92.118 83.864 552 2HH1 ARG 77 2HH2 ARG 77 36.768 90.576 84.421 553 1HH2 ARG 77 2HH1 ARG 77 39.066 88.775 82.551 554 2HH2 ARG 77 1HH1 ARG 77 37.754 88.683 83.678 555 HA PRO 78 HA PRO 78 46.284 90.415 79.458 556 1HB PRO 78 1HB PRO 78 45.692 87.741 79.408 557 2HB PRO 78 2HB PRO 78 46.705 88.486 80.663 558 1HG PRO 78 1HG PRO 78 43.821 87.741 80.757 559 2HG PRO 78 2HG PRO 78 45.076 87.555 81.993 560 1HD PRO 78 1HD PRO 78 43.250 89.545 82.064 561 2HD PRO 78 2HD PRO 78 44.899 89.733 82.698 562 H GLY 79 H GLY 79 45.997 90.572 77.309 563 1HA GLY 79 1HA GLY 79 45.066 90.030 75.170 564 2HA GLY 79 2HA GLY 79 43.696 89.281 75.984 565 H GLU 80 H GLU 80 43.582 91.939 77.668 566 HA GLU 80 HA GLU 80 41.715 93.288 75.809 567 1HB GLU 80 1HB GLU 80 42.420 93.453 78.739 568 2HB GLU 80 2HB GLU 80 41.407 94.684 77.989 569 1HG GLU 80 1HG GLU 80 39.936 92.801 77.131 570 2HG GLU 80 2HG GLU 80 40.859 91.712 78.166 571 H ALA 81 H ALA 81 41.797 95.712 75.673 572 HA ALA 81 HA ALA 81 44.522 96.874 75.953 573 1HB ALA 81 1HB ALA 81 44.316 97.662 73.565 574 2HB ALA 81 2HB ALA 81 42.866 96.668 73.417 575 3HB ALA 81 3HB ALA 81 44.429 95.908 73.720 576 H PHE 82 H PHE 82 44.474 99.177 76.128 577 HA PHE 82 HA PHE 82 41.738 100.389 76.399 578 1HB PHE 82 1HB PHE 82 42.969 100.086 78.521 579 2HB PHE 82 2HB PHE 82 44.340 100.975 77.858 580 HD1 PHE 82 HD1 PHE 82 44.232 103.396 77.509 581 HD2 PHE 82 HD2 PHE 82 40.890 101.229 79.116 582 HE1 PHE 82 HE1 PHE 82 43.178 105.531 78.204 583 HE2 PHE 82 HE2 PHE 82 39.839 103.364 79.811 584 HZ PHE 82 HZ PHE 82 40.983 105.515 79.352 585 H HIS 83 H HIS 83 41.471 102.466 75.381 586 HA HIS 83 HA HIS 83 43.864 103.649 74.047 587 1HB HIS 83 1HB HIS 83 42.577 103.726 71.919 588 2HB HIS 83 2HB HIS 83 42.836 102.074 72.473 589 HD1 HIS 83 HD1 HIS 83 40.157 104.700 72.129 590 HD2 HIS 83 HD2 HIS 83 40.481 100.699 73.257 591 HE1 HIS 83 HE1 HIS 83 37.793 103.807 72.289 592 H TYR 84 H TYR 84 43.776 105.880 73.905 593 HA TYR 84 HA TYR 84 41.210 107.299 74.251 594 1HB TYR 84 1HB TYR 84 41.960 108.480 76.246 595 2HB TYR 84 2HB TYR 84 42.084 106.750 76.538 596 HD1 TYR 84 HD1 TYR 84 43.921 109.884 76.092 597 HD2 TYR 84 HD2 TYR 84 44.298 105.631 76.561 598 HE1 TYR 84 HE1 TYR 84 46.324 110.157 76.641 599 HE2 TYR 84 HE2 TYR 84 46.701 105.905 77.109 600 HH TYR 84 HH TYR 84 48.067 108.737 78.010 601 H THR 85 H THR 85 41.478 109.647 73.773 602 HA THR 85 HA THR 85 43.733 110.083 71.867 603 HB THR 85 HB THR 85 41.128 111.577 72.304 604 HG1 THR 85 HG1 THR 85 40.363 109.859 71.384 605 1HG2 THR 85 1HG2 THR 85 43.303 111.718 70.219 606 2HG2 THR 85 2HG2 THR 85 42.606 113.033 71.166 607 3HG2 THR 85 3HG2 THR 85 41.664 112.274 69.882 608 H SER 86 H SER 86 45.236 111.691 72.201 609 HA SER 86 HA SER 86 44.856 113.474 74.585 610 1HB SER 86 1HB SER 86 46.490 111.825 75.097 611 2HB SER 86 2HB SER 86 47.244 111.972 73.512 612 HG SER 86 HG SER 86 47.640 113.418 75.778 613 H GLY 87 H GLY 87 46.260 115.555 74.338 614 1HA GLY 87 1HA GLY 87 46.821 116.254 71.502 615 2HA GLY 87 2HA GLY 87 45.716 117.283 72.411 616 H VAL 88 H VAL 88 48.787 117.177 71.389 617 HA VAL 88 HA VAL 88 49.777 118.823 73.692 618 HB VAL 88 HB VAL 88 51.996 117.731 73.328 619 1HG1 VAL 88 1HG1 VAL 88 51.319 115.494 74.260 620 2HG1 VAL 88 2HG1 VAL 88 49.640 115.926 73.936 621 3HG1 VAL 88 3HG1 VAL 88 50.587 116.866 75.091 622 1HG2 VAL 88 1HG2 VAL 88 50.397 115.955 71.452 623 2HG2 VAL 88 2HG2 VAL 88 52.059 115.655 71.964 624 3HG2 VAL 88 3HG2 VAL 88 51.680 117.069 70.979 625 H LEU 89 H LEU 89 51.279 120.483 73.064 626 HA LEU 89 HA LEU 89 51.099 121.208 70.165 627 1HB LEU 89 1HB LEU 89 51.453 122.787 72.724 628 2HB LEU 89 2HB LEU 89 51.577 123.516 71.123 629 HG LEU 89 HG LEU 89 49.241 122.206 70.818 630 1HD1 LEU 89 1HD1 LEU 89 48.058 121.863 72.754 631 2HD1 LEU 89 2HD1 LEU 89 48.838 123.205 73.592 632 3HD1 LEU 89 3HD1 LEU 89 49.675 121.662 73.427 633 1HD2 LEU 89 1HD2 LEU 89 49.700 124.637 70.474 634 2HD2 LEU 89 2HD2 LEU 89 49.522 124.889 72.211 635 3HD2 LEU 89 3HD2 LEU 89 48.144 124.351 71.252 636 H LEU 90 H LEU 90 52.970 121.755 69.030 637 HA LEU 90 HA LEU 90 55.582 121.301 70.440 638 1HB LEU 90 1HB LEU 90 54.407 119.822 68.439 639 2HB LEU 90 2HB LEU 90 55.434 120.915 67.512 640 HG LEU 90 HG LEU 90 56.559 119.525 69.925 641 1HD1 LEU 90 1HD1 LEU 90 56.830 118.262 67.226 642 2HD1 LEU 90 2HD1 LEU 90 55.353 117.962 68.142 643 3HD1 LEU 90 3HD1 LEU 90 56.919 117.521 68.824 644 1HD2 LEU 90 1HD2 LEU 90 58.577 119.608 68.288 645 2HD2 LEU 90 2HD2 LEU 90 58.036 121.123 69.010 646 3HD2 LEU 90 3HD2 LEU 90 57.583 120.726 67.353 647 H GLU 91 H GLU 91 57.293 122.795 69.888 648 HA GLU 91 HA GLU 91 56.422 125.415 68.956 649 1HB GLU 91 1HB GLU 91 58.062 124.994 70.775 650 2HB GLU 91 2HB GLU 91 59.167 124.289 69.593 651 1HG GLU 91 1HG GLU 91 59.221 126.427 68.361 652 2HG GLU 91 2HG GLU 91 58.119 127.136 69.541 653 H THR 92 H THR 92 58.078 122.660 67.493 654 HA THR 92 HA THR 92 58.388 124.278 64.980 655 HB THR 92 HB THR 92 60.406 122.870 64.576 656 HG1 THR 92 HG1 THR 92 60.967 121.348 65.981 657 1HG2 THR 92 1HG2 THR 92 61.816 123.998 66.126 658 2HG2 THR 92 2HG2 THR 92 60.540 124.079 67.341 659 3HG2 THR 92 3HG2 THR 92 60.436 125.068 65.885 660 H GLU 93 H GLU 93 58.566 122.742 63.007 661 HA GLU 93 HA GLU 93 56.221 120.963 63.024 662 1HB GLU 93 1HB GLU 93 58.195 121.854 60.904 663 2HB GLU 93 2HB GLU 93 56.734 120.921 60.577 664 1HG GLU 93 1HG GLU 93 55.361 122.727 61.546 665 2HG GLU 93 2HG GLU 93 56.821 123.663 61.868 666 H GLN 94 H GLN 94 59.221 120.322 64.122 667 HA GLN 94 HA GLN 94 59.153 117.538 63.064 668 1HB GLN 94 1HB GLN 94 61.473 119.482 63.156 669 2HB GLN 94 2HB GLN 94 61.691 117.748 62.913 670 1HG GLN 94 1HG GLN 94 60.234 117.837 60.925 671 2HG GLN 94 2HG GLN 94 60.017 119.572 61.163 672 1HE2 GLN 94 1HE2 GLN 94 61.441 117.925 58.954 673 2HE2 GLN 94 2HE2 GLN 94 62.969 118.654 58.835 674 H GLY 95 H GLY 95 59.801 115.980 64.697 675 1HA GLY 95 1HA GLY 95 61.331 116.632 67.002 676 2HA GLY 95 2HA GLY 95 59.636 116.834 67.425 677 H GLN 96 H GLN 96 61.414 114.987 68.583 678 HA GLN 96 HA GLN 96 60.229 112.337 67.761 679 1HB GLN 96 1HB GLN 96 62.356 111.383 68.592 680 2HB GLN 96 2HB GLN 96 62.639 112.537 67.293 681 1HG GLN 96 1HG GLN 96 63.189 114.279 68.959 682 2HG GLN 96 2HG GLN 96 62.908 113.121 70.259 683 1HE2 GLN 96 1HE2 GLN 96 64.938 112.539 71.051 684 2HE2 GLN 96 2HE2 GLN 96 66.266 112.104 70.086 685 H MET 97 H MET 97 59.025 111.372 69.361 686 HA MET 97 HA MET 97 59.371 112.383 72.170 687 1HB MET 97 1HB MET 97 56.911 111.729 70.532 688 2HB MET 97 2HB MET 97 56.860 111.991 72.275 689 1HG MET 97 1HG MET 97 57.755 114.239 72.010 690 2HG MET 97 2HG MET 97 57.966 113.985 70.278 691 1HE MET 97 1HE MET 97 54.136 113.427 72.501 692 2HE MET 97 2HE MET 97 54.850 114.957 73.005 693 3HE MET 97 3HE MET 97 55.797 113.476 73.109 694 H GLN 98 H GLN 98 60.028 110.723 73.514 695 HA GLN 98 HA GLN 98 59.006 107.941 72.999 696 1HB GLN 98 1HB GLN 98 61.427 108.363 72.415 697 2HB GLN 98 2HB GLN 98 61.696 108.838 74.093 698 1HG GLN 98 1HG GLN 98 60.936 106.614 74.848 699 2HG GLN 98 2HG GLN 98 60.670 106.137 73.171 700 1HE2 GLN 98 1HE2 GLN 98 62.348 104.710 72.661 701 2HE2 GLN 98 2HE2 GLN 98 63.990 104.998 72.977 702 H GLY 99 H GLY 99 58.501 106.785 75.009 703 1HA GLY 99 1HA GLY 99 58.974 108.119 77.574 704 2HA GLY 99 2HA GLY 99 57.291 108.196 77.062 705 H HIS 100 H HIS 100 57.543 106.936 79.332 706 HA HIS 100 HA HIS 100 57.287 104.049 78.622 707 1HB HIS 100 1HB HIS 100 58.787 105.315 80.938 708 2HB HIS 100 2HB HIS 100 58.466 103.587 80.812 709 HD1 HIS 100 HD1 HIS 100 60.139 106.348 78.778 710 HD2 HIS 100 HD2 HIS 100 60.370 102.224 79.340 711 HE1 HIS 100 HE1 HIS 100 62.126 105.551 77.425 712 H TYR 101 H TYR 101 55.879 102.871 80.093 713 HA TYR 101 HA TYR 101 53.947 104.632 81.560 714 1HB TYR 101 1HB TYR 101 53.728 102.154 79.873 715 2HB TYR 101 2HB TYR 101 52.503 102.453 81.099 716 HD1 TYR 101 HD1 TYR 101 52.262 105.430 80.998 717 HD2 TYR 101 HD2 TYR 101 52.651 102.543 77.835 718 HE1 TYR 101 HE1 TYR 101 51.101 106.972 79.444 719 HE2 TYR 101 HE2 TYR 101 51.488 104.089 76.285 720 HH TYR 101 HH TYR 101 49.762 106.781 77.332 721 H ASP 102 H ASP 102 53.822 104.244 83.808 722 HA ASP 102 HA ASP 102 55.307 101.940 84.937 723 1HB ASP 102 1HB ASP 102 55.316 104.334 85.849 724 2HB ASP 102 2HB ASP 102 53.628 104.080 86.297 725 H MET 103 H MET 103 54.359 100.059 85.214 726 HA MET 103 HA MET 103 51.367 99.928 85.528 727 1HB MET 103 1HB MET 103 52.396 99.200 83.335 728 2HB MET 103 2HB MET 103 53.233 97.931 84.228 729 1HG MET 103 1HG MET 103 51.099 97.010 84.985 730 2HG MET 103 2HG MET 103 50.228 98.317 84.182 731 1HE MET 103 1HE MET 103 49.596 97.871 81.125 732 2HE MET 103 2HE MET 103 51.276 98.180 80.693 733 3HE MET 103 3HE MET 103 50.560 99.015 82.071 734 H VAL 104 H VAL 104 50.625 98.044 86.764 735 HA VAL 104 HA VAL 104 52.667 96.812 88.568 736 HB VAL 104 HB VAL 104 50.999 97.257 90.447 737 1HG1 VAL 104 1HG1 VAL 104 52.251 99.646 89.065 738 2HG1 VAL 104 2HG1 VAL 104 53.074 98.548 90.173 739 3HG1 VAL 104 3HG1 VAL 104 51.766 99.576 90.760 740 1HG2 VAL 104 1HG2 VAL 104 49.406 99.114 90.091 741 2HG2 VAL 104 2HG2 VAL 104 49.041 97.761 89.021 742 3HG2 VAL 104 3HG2 VAL 104 49.866 99.186 88.390 743 H ALA 105 H ALA 105 52.301 94.628 88.736 744 HA ALA 105 HA ALA 105 50.002 93.355 87.440 745 1HB ALA 105 1HB ALA 105 51.151 91.312 88.423 746 2HB ALA 105 2HB ALA 105 52.321 92.412 89.151 747 3HB ALA 105 3HB ALA 105 52.180 92.309 87.396 748 H ASP 106 H ASP 106 48.627 91.765 88.662 749 HA ASP 106 HA ASP 106 47.264 93.034 90.853 750 1HB ASP 106 1HB ASP 106 46.375 91.370 89.168 751 2HB ASP 106 2HB ASP 106 47.243 90.110 90.045 752 H ASP 107 H ASP 107 49.843 90.606 90.733 753 HA ASP 107 HA ASP 107 49.666 89.853 93.528 754 1HB ASP 107 1HB ASP 107 51.821 88.741 93.007 755 2HB ASP 107 2HB ASP 107 50.613 88.429 91.763 756 H GLY 108 H GLY 108 50.794 92.712 92.053 757 1HA GLY 108 1HA GLY 108 51.523 94.569 93.452 758 2HA GLY 108 2HA GLY 108 52.267 93.405 94.545 759 H THR 109 H THR 109 53.165 92.139 91.703 760 HA THR 109 HA THR 109 55.882 92.923 91.842 761 HB THR 109 HB THR 109 54.254 91.974 89.459 762 HG1 THR 109 HG1 THR 109 55.648 90.585 91.501 763 1HG2 THR 109 1HG2 THR 109 57.176 92.273 90.001 764 2HG2 THR 109 2HG2 THR 109 56.288 92.474 88.490 765 3HG2 THR 109 3HG2 THR 109 56.647 90.856 89.095 766 H GLU 110 H GLU 110 56.979 94.724 91.023 767 HA GLU 110 HA GLU 110 55.335 96.756 89.593 768 1HB GLU 110 1HB GLU 110 57.128 98.302 90.359 769 2HB GLU 110 2HB GLU 110 56.417 97.406 91.699 770 1HG GLU 110 1HG GLU 110 58.293 95.930 91.834 771 2HG GLU 110 2HG GLU 110 58.926 96.480 90.284 772 H PHE 111 H PHE 111 55.905 97.515 87.575 773 HA PHE 111 HA PHE 111 58.485 97.050 86.327 774 1HB PHE 111 1HB PHE 111 57.777 95.350 84.735 775 2HB PHE 111 2HB PHE 111 57.440 94.761 86.360 776 HD1 PHE 111 HD1 PHE 111 55.990 95.941 83.204 777 HD2 PHE 111 HD2 PHE 111 55.127 94.665 87.213 778 HE1 PHE 111 HE1 PHE 111 53.604 95.646 82.596 779 HE2 PHE 111 HE2 PHE 111 52.742 94.371 86.606 780 HZ PHE 111 HZ PHE 111 51.981 94.860 84.297 781 H ILE 112 H ILE 112 58.690 98.259 84.439 782 HA ILE 112 HA ILE 112 56.428 100.115 83.874 783 HB ILE 112 HB ILE 112 59.388 100.182 83.188 784 1HG1 ILE 112 1HG1 ILE 112 57.852 101.800 85.243 785 2HG1 ILE 112 2HG1 ILE 112 58.750 100.335 85.641 786 1HG2 ILE 112 1HG2 ILE 112 57.170 102.224 82.870 787 2HG2 ILE 112 2HG2 ILE 112 58.159 101.519 81.592 788 3HG2 ILE 112 3HG2 ILE 112 58.883 102.623 82.760 789 1HD1 ILE 112 1HD1 ILE 112 59.901 102.722 85.819 790 2HD1 ILE 112 2HD1 ILE 112 60.150 102.478 84.090 791 3HD1 ILE 112 3HD1 ILE 112 60.808 101.322 85.248 792 H ALA 113 H ALA 113 55.930 100.628 81.633 793 HA ALA 113 HA ALA 113 56.587 98.439 79.692 794 1HB ALA 113 1HB ALA 113 54.291 98.221 80.179 795 2HB ALA 113 2HB ALA 113 54.265 99.277 78.767 796 3HB ALA 113 3HB ALA 113 54.076 99.959 80.382 797 HA PRO 114 HA PRO 114 58.491 102.257 78.031 798 1HB PRO 114 1HB PRO 114 59.851 101.010 76.029 799 2HB PRO 114 2HB PRO 114 60.460 101.098 77.695 800 1HG PRO 114 1HG PRO 114 59.077 98.858 76.303 801 2HG PRO 114 2HG PRO 114 60.459 98.818 77.409 802 1HD PRO 114 1HD PRO 114 57.953 98.190 78.194 803 2HD PRO 114 2HD PRO 114 59.140 98.941 79.283 804 H ILE 115 H ILE 115 57.875 103.512 76.411 805 HA ILE 115 HA ILE 115 55.860 102.462 74.439 806 HB ILE 115 HB ILE 115 56.391 105.283 75.436 807 1HG1 ILE 115 1HG1 ILE 115 54.020 103.559 76.165 808 2HG1 ILE 115 2HG1 ILE 115 55.494 103.527 77.132 809 1HG2 ILE 115 1HG2 ILE 115 55.341 105.319 73.276 810 2HG2 ILE 115 2HG2 ILE 115 54.081 105.641 74.466 811 3HG2 ILE 115 3HG2 ILE 115 54.217 104.040 73.738 812 1HD1 ILE 115 1HD1 ILE 115 55.281 106.117 77.144 813 2HD1 ILE 115 2HD1 ILE 115 54.203 105.189 78.185 814 3HD1 ILE 115 3HD1 ILE 115 53.612 105.829 76.652 815 H ALA 116 H ALA 116 56.588 102.330 72.382 816 HA ALA 116 HA ALA 116 59.154 102.911 71.438 817 1HB ALA 116 1HB ALA 116 57.993 102.877 69.186 818 2HB ALA 116 2HB ALA 116 56.460 102.862 70.057 819 3HB ALA 116 3HB ALA 116 57.591 101.522 70.241 820 H ALA 117 H ALA 117 60.068 104.674 70.263 821 HA ALA 117 HA ALA 117 58.876 107.317 70.864 822 1HB ALA 117 1HB ALA 117 61.502 106.640 69.518 823 2HB ALA 117 2HB ALA 117 61.297 106.585 71.269 824 3HB ALA 117 3HB ALA 117 61.091 108.108 70.404 825 H PHE 118 H PHE 118 57.700 108.364 69.323 826 HA PHE 118 HA PHE 118 57.998 107.530 66.460 827 1HB PHE 118 1HB PHE 118 55.688 108.447 66.259 828 2HB PHE 118 2HB PHE 118 55.781 107.175 67.473 829 HD1 PHE 118 HD1 PHE 118 55.410 107.636 69.808 830 HD2 PHE 118 HD2 PHE 118 55.578 110.838 66.949 831 HE1 PHE 118 HE1 PHE 118 54.525 109.205 71.513 832 HE2 PHE 118 HE2 PHE 118 54.693 112.407 68.655 833 HZ PHE 118 HZ PHE 118 54.167 111.589 70.936 834 H VAL 119 H VAL 119 57.725 109.399 64.876 835 HA VAL 119 HA VAL 119 58.962 111.881 66.009 836 HB VAL 119 HB VAL 119 60.419 110.539 64.540 837 1HG1 VAL 119 1HG1 VAL 119 58.917 109.319 63.173 838 2HG1 VAL 119 2HG1 VAL 119 59.700 110.446 62.065 839 3HG1 VAL 119 3HG1 VAL 119 58.071 110.778 62.655 840 1HG2 VAL 119 1HG2 VAL 119 60.636 112.986 64.452 841 2HG2 VAL 119 2HG2 VAL 119 59.384 113.065 63.213 842 3HG2 VAL 119 3HG2 VAL 119 60.927 112.291 62.857 843 H LEU 120 H LEU 120 58.277 113.888 65.061 844 HA LEU 120 HA LEU 120 55.534 113.792 63.846 845 1HB LEU 120 1HB LEU 120 56.973 115.790 65.621 846 2HB LEU 120 2HB LEU 120 55.433 116.141 64.841 847 HG LEU 120 HG LEU 120 54.527 114.037 65.963 848 1HD1 LEU 120 1HD1 LEU 120 57.300 114.084 66.999 849 2HD1 LEU 120 2HD1 LEU 120 56.189 112.728 66.811 850 3HD1 LEU 120 3HD1 LEU 120 56.053 113.790 68.211 851 1HD2 LEU 120 1HD2 LEU 120 54.518 116.595 66.771 852 2HD2 LEU 120 2HD2 LEU 120 55.423 115.900 68.116 853 3HD2 LEU 120 3HD2 LEU 120 53.803 115.309 67.743 854 H SER 121 H SER 121 55.306 114.690 61.834 855 HA SER 121 HA SER 121 57.260 116.688 60.845 856 1HB SER 121 1HB SER 121 58.109 114.305 60.468 857 2HB SER 121 2HB SER 121 56.746 114.091 59.373 858 HG SER 121 HG SER 121 58.857 114.866 58.489 Start of MODEL 4 1 H ARG 6 1H ARG 6 55.815 87.186 81.016 2 HA ARG 6 HA ARG 6 53.493 86.451 82.097 3 1HB ARG 6 1HB ARG 6 55.463 86.909 84.353 4 2HB ARG 6 2HB ARG 6 53.718 86.845 84.603 5 1HG ARG 6 1HG ARG 6 53.656 84.580 83.624 6 2HG ARG 6 2HG ARG 6 55.402 84.641 83.377 7 1HD ARG 6 1HD ARG 6 55.749 84.878 85.816 8 2HD ARG 6 2HD ARG 6 53.995 84.805 86.067 9 HE ARG 6 HE ARG 6 54.768 82.562 84.477 10 1HH1 ARG 6 2HH1 ARG 6 56.833 82.999 86.826 11 2HH1 ARG 6 1HH1 ARG 6 56.216 81.840 87.955 12 1HH2 ARG 6 1HH2 ARG 6 53.204 81.425 86.289 13 2HH2 ARG 6 2HH2 ARG 6 54.162 80.948 87.651 14 H TYR 7 H TYR 7 55.917 88.959 82.137 15 HA TYR 7 HA TYR 7 53.774 91.025 82.517 16 1HB TYR 7 1HB TYR 7 56.763 91.115 83.055 17 2HB TYR 7 2HB TYR 7 55.638 92.442 83.346 18 HD1 TYR 7 HD1 TYR 7 53.338 91.364 84.589 19 HD2 TYR 7 HD2 TYR 7 57.417 90.092 85.040 20 HE1 TYR 7 HE1 TYR 7 52.796 90.414 86.814 21 HE2 TYR 7 HE2 TYR 7 56.873 89.142 87.265 22 HH TYR 7 HH TYR 7 54.314 88.253 88.308 23 H ARG 8 H ARG 8 53.217 91.659 80.463 24 HA ARG 8 HA ARG 8 55.328 92.792 78.698 25 1HB ARG 8 1HB ARG 8 53.500 90.464 78.060 26 2HB ARG 8 2HB ARG 8 54.268 91.427 76.798 27 1HG ARG 8 1HG ARG 8 56.488 90.946 77.893 28 2HG ARG 8 2HG ARG 8 55.650 89.824 78.965 29 1HD ARG 8 1HD ARG 8 55.508 89.623 75.940 30 2HD ARG 8 2HD ARG 8 56.678 88.722 76.925 31 HE ARG 8 HE ARG 8 53.797 88.532 77.643 32 1HH1 ARG 8 2HH1 ARG 8 54.672 86.980 75.148 33 2HH1 ARG 8 1HH1 ARG 8 55.017 85.427 75.834 34 1HH2 ARG 8 1HH2 ARG 8 55.122 86.600 79.096 35 2HH2 ARG 8 2HH2 ARG 8 55.273 85.213 78.070 36 H VAL 9 H VAL 9 54.579 94.638 77.779 37 HA VAL 9 HA VAL 9 51.690 95.025 77.197 38 HB VAL 9 HB VAL 9 53.311 96.765 79.096 39 1HG1 VAL 9 1HG1 VAL 9 51.582 98.281 79.095 40 2HG1 VAL 9 2HG1 VAL 9 50.362 97.048 78.781 41 3HG1 VAL 9 3HG1 VAL 9 51.359 97.658 77.461 42 1HG2 VAL 9 1HG2 VAL 9 52.669 94.799 80.293 43 2HG2 VAL 9 2HG2 VAL 9 51.079 94.765 79.528 44 3HG2 VAL 9 3HG2 VAL 9 51.462 96.015 80.711 45 H GLU 10 H GLU 10 51.793 95.699 75.118 46 HA GLU 10 HA GLU 10 53.990 97.549 74.204 47 1HB GLU 10 1HB GLU 10 52.109 95.589 72.857 48 2HB GLU 10 2HB GLU 10 53.164 96.693 71.974 49 1HG GLU 10 1HG GLU 10 54.137 94.677 74.019 50 2HG GLU 10 2HG GLU 10 54.161 94.414 72.275 51 H VAL 11 H VAL 11 53.479 99.565 73.764 52 HA VAL 11 HA VAL 11 50.588 100.313 73.450 53 HB VAL 11 HB VAL 11 52.959 101.869 74.547 54 1HG1 VAL 11 1HG1 VAL 11 51.079 103.170 73.374 55 2HG1 VAL 11 2HG1 VAL 11 51.434 103.632 75.039 56 3HG1 VAL 11 3HG1 VAL 11 50.034 102.621 74.685 57 1HG2 VAL 11 1HG2 VAL 11 51.977 99.921 75.918 58 2HG2 VAL 11 2HG2 VAL 11 50.517 100.902 76.047 59 3HG2 VAL 11 3HG2 VAL 11 52.039 101.496 76.711 60 H GLU 12 H GLU 12 50.060 101.536 71.611 61 HA GLU 12 HA GLU 12 52.315 102.277 69.763 62 1HB GLU 12 1HB GLU 12 49.530 101.175 69.288 63 2HB GLU 12 2HB GLU 12 50.563 101.789 67.997 64 1HG GLU 12 1HG GLU 12 51.363 99.576 69.908 65 2HG GLU 12 2HG GLU 12 50.720 99.304 68.288 66 H VAL 13 H VAL 13 52.275 104.350 68.975 67 HA VAL 13 HA VAL 13 49.882 106.067 69.571 68 HB VAL 13 HB VAL 13 52.841 106.711 69.820 69 1HG1 VAL 13 1HG1 VAL 13 51.662 108.730 71.090 70 2HG1 VAL 13 2HG1 VAL 13 50.340 108.345 69.988 71 3HG1 VAL 13 3HG1 VAL 13 51.924 108.783 69.346 72 1HG2 VAL 13 1HG2 VAL 13 51.850 107.074 72.295 73 2HG2 VAL 13 2HG2 VAL 13 52.480 105.518 71.756 74 3HG2 VAL 13 3HG2 VAL 13 50.742 105.817 71.740 75 H SER 14 H SER 14 49.185 107.307 67.893 76 HA SER 14 HA SER 14 50.944 107.486 65.477 77 1HB SER 14 1HB SER 14 49.132 105.840 65.222 78 2HB SER 14 2HB SER 14 47.944 107.056 65.684 79 HG SER 14 HG SER 14 49.099 106.588 63.285 80 HA PRO 15 HA PRO 15 49.759 111.785 66.406 81 1HB PRO 15 1HB PRO 15 51.979 112.959 65.364 82 2HB PRO 15 2HB PRO 15 51.951 112.251 66.992 83 1HG PRO 15 1HG PRO 15 53.054 111.139 64.465 84 2HG PRO 15 2HG PRO 15 53.695 111.054 66.113 85 1HD PRO 15 1HD PRO 15 52.384 108.998 64.907 86 2HD PRO 15 2HD PRO 15 52.402 109.253 66.664 87 H ARG 16 H ARG 16 49.389 113.660 65.019 88 HA ARG 16 HA ARG 16 49.525 113.340 62.090 89 1HB ARG 16 1HB ARG 16 47.045 113.478 61.869 90 2HB ARG 16 2HB ARG 16 47.548 112.009 62.705 91 1HG ARG 16 1HG ARG 16 47.100 113.107 64.879 92 2HG ARG 16 2HG ARG 16 46.559 114.553 64.028 93 1HD ARG 16 1HD ARG 16 45.300 111.912 63.338 94 2HD ARG 16 2HD ARG 16 44.771 112.774 64.797 95 HE ARG 16 HE ARG 16 44.940 114.321 62.266 96 1HH1 ARG 16 1HH2 ARG 16 43.546 114.995 64.968 97 2HH1 ARG 16 2HH2 ARG 16 41.886 114.851 64.492 98 1HH2 ARG 16 2HH1 ARG 16 42.602 113.181 61.539 99 2HH2 ARG 16 1HH1 ARG 16 41.352 113.825 62.551 100 H PHE 17 H PHE 17 49.777 115.315 61.214 101 HA PHE 17 HA PHE 17 50.042 117.695 62.754 102 1HB PHE 17 1HB PHE 17 51.105 117.181 60.575 103 2HB PHE 17 2HB PHE 17 49.536 117.334 59.786 104 HD1 PHE 17 HD1 PHE 17 51.956 119.212 61.934 105 HD2 PHE 17 HD2 PHE 17 48.764 119.440 59.069 106 HE1 PHE 17 HE1 PHE 17 52.281 121.664 61.767 107 HE2 PHE 17 HE2 PHE 17 49.089 121.893 58.903 108 HZ PHE 17 HZ PHE 17 50.846 123.005 60.252 109 H LEU 18 H LEU 18 48.612 119.346 63.242 110 HA LEU 18 HA LEU 18 45.785 119.136 62.215 111 1HB LEU 18 1HB LEU 18 46.949 120.062 64.860 112 2HB LEU 18 2HB LEU 18 45.259 120.285 64.415 113 HG LEU 18 HG LEU 18 46.664 117.600 64.509 114 1HD1 LEU 18 1HD1 LEU 18 45.220 119.212 66.548 115 2HD1 LEU 18 2HD1 LEU 18 46.468 117.983 66.761 116 3HD1 LEU 18 3HD1 LEU 18 44.797 117.502 66.467 117 1HD2 LEU 18 1HD2 LEU 18 44.868 117.349 63.024 118 2HD2 LEU 18 2HD2 LEU 18 43.877 118.539 63.868 119 3HD2 LEU 18 3HD2 LEU 18 44.120 116.938 64.567 120 H ALA 19 H ALA 19 46.424 120.426 60.409 121 HA ALA 19 HA ALA 19 47.478 123.136 60.562 122 1HB ALA 19 1HB ALA 19 47.129 123.065 58.283 123 2HB ALA 19 2HB ALA 19 45.613 122.177 58.435 124 3HB ALA 19 3HB ALA 19 47.150 121.337 58.639 125 H HIS 20 H HIS 20 44.165 121.802 60.600 126 HA HIS 20 HA HIS 20 42.854 124.356 60.313 127 1HB HIS 20 1HB HIS 20 41.921 122.049 59.863 128 2HB HIS 20 2HB HIS 20 41.822 121.813 61.607 129 HD1 HIS 20 HD1 HIS 20 40.746 124.571 59.181 130 HD2 HIS 20 HD2 HIS 20 39.317 122.507 62.508 131 HE1 HIS 20 HE1 HIS 20 38.434 125.490 59.655 132 H GLN 21 H GLN 21 44.231 122.701 63.072 133 HA GLN 21 HA GLN 21 43.073 124.817 64.864 134 1HB GLN 21 1HB GLN 21 42.340 122.377 65.110 135 2HB GLN 21 2HB GLN 21 43.984 122.042 65.650 136 1HG GLN 21 1HG GLN 21 43.742 123.680 67.465 137 2HG GLN 21 2HG GLN 21 42.111 124.063 66.917 138 1HE2 GLN 21 1HE2 GLN 21 40.780 123.168 68.528 139 2HE2 GLN 21 2HE2 GLN 21 40.865 121.556 69.051 140 H SER 22 H SER 22 45.518 125.252 63.426 141 HA SER 22 HA SER 22 47.343 125.703 65.681 142 1HB SER 22 1HB SER 22 47.717 123.335 65.077 143 2HB SER 22 2HB SER 22 48.051 123.816 63.415 144 HG SER 22 HG SER 22 49.814 125.016 64.190 145 H THR 23 H THR 23 48.828 127.364 65.197 146 HA THR 23 HA THR 23 48.725 128.476 62.411 147 HB THR 23 HB THR 23 49.163 129.840 65.091 148 HG1 THR 23 HG1 THR 23 46.934 129.833 63.337 149 1HG2 THR 23 1HG2 THR 23 50.259 131.145 63.445 150 2HG2 THR 23 2HG2 THR 23 48.672 131.894 63.623 151 3HG2 THR 23 3HG2 THR 23 49.000 130.838 62.248 152 HA PRO 24 HA PRO 24 53.013 127.045 63.150 153 1HB PRO 24 1HB PRO 24 53.706 126.844 60.514 154 2HB PRO 24 2HB PRO 24 52.864 125.555 61.399 155 1HG PRO 24 1HG PRO 24 51.768 127.595 59.530 156 2HG PRO 24 2HG PRO 24 51.357 125.881 59.699 157 1HD PRO 24 1HD PRO 24 49.828 127.875 60.718 158 2HD PRO 24 2HD PRO 24 49.926 126.258 61.444 159 H ASP 25 H ASP 25 51.748 129.658 61.159 160 HA ASP 25 HA ASP 25 54.260 130.943 60.592 161 1HB ASP 25 1HB ASP 25 51.378 131.880 60.719 162 2HB ASP 25 2HB ASP 25 52.690 132.915 60.157 163 H GLU 26 H GLU 26 52.244 130.898 63.447 164 HA GLU 26 HA GLU 26 53.749 133.215 64.598 165 1HB GLU 26 1HB GLU 26 51.194 131.756 65.316 166 2HB GLU 26 2HB GLU 26 51.897 133.014 66.335 167 1HG GLU 26 1HG GLU 26 51.210 133.415 63.411 168 2HG GLU 26 2HG GLU 26 50.133 133.853 64.738 169 H GLY 27 H GLY 27 54.675 130.264 64.310 170 1HA GLY 27 1HA GLY 27 56.039 128.850 65.595 171 2HA GLY 27 2HA GLY 27 56.030 130.090 66.851 172 H ARG 28 H ARG 28 53.061 128.757 65.582 173 HA ARG 28 HA ARG 28 52.628 127.322 68.184 174 1HB ARG 28 1HB ARG 28 50.760 128.901 66.387 175 2HB ARG 28 2HB ARG 28 50.215 127.956 67.774 176 1HG ARG 28 1HG ARG 28 51.665 129.291 69.259 177 2HG ARG 28 2HG ARG 28 52.208 130.240 67.875 178 1HD ARG 28 1HD ARG 28 49.785 130.867 67.462 179 2HD ARG 28 2HD ARG 28 49.403 130.114 69.024 180 HE ARG 28 HE ARG 28 51.132 132.509 68.652 181 1HH1 ARG 28 1HH2 ARG 28 51.977 130.606 70.883 182 2HH1 ARG 28 2HH2 ARG 28 51.154 131.300 72.241 183 1HH2 ARG 28 2HH1 ARG 28 49.026 133.231 70.302 184 2HH2 ARG 28 1HH1 ARG 28 49.484 132.786 71.912 185 H TYR 29 H TYR 29 53.252 125.237 67.347 186 HA TYR 29 HA TYR 29 51.669 124.227 65.015 187 1HB TYR 29 1HB TYR 29 54.142 123.108 66.383 188 2HB TYR 29 2HB TYR 29 53.436 122.534 64.876 189 HD1 TYR 29 HD1 TYR 29 55.287 125.290 66.490 190 HD2 TYR 29 HD2 TYR 29 53.703 123.767 62.799 191 HE1 TYR 29 HE1 TYR 29 56.609 126.968 65.230 192 HE2 TYR 29 HE2 TYR 29 55.027 125.445 61.541 193 HH TYR 29 HH TYR 29 56.213 128.101 62.708 194 H ALA 30 H ALA 30 50.078 122.732 65.443 195 HA ALA 30 HA ALA 30 50.006 121.592 68.211 196 1HB ALA 30 1HB ALA 30 48.255 123.282 67.220 197 2HB ALA 30 2HB ALA 30 47.688 121.919 68.183 198 3HB ALA 30 3HB ALA 30 47.603 121.850 66.423 199 H PHE 31 H PHE 31 50.353 119.419 68.294 200 HA PHE 31 HA PHE 31 49.613 117.741 65.916 201 1HB PHE 31 1HB PHE 31 51.800 117.521 68.007 202 2HB PHE 31 2HB PHE 31 51.424 116.227 66.872 203 HD1 PHE 31 HD1 PHE 31 52.692 119.685 67.203 204 HD2 PHE 31 HD2 PHE 31 51.999 116.393 64.532 205 HE1 PHE 31 HE1 PHE 31 54.098 120.782 65.482 206 HE2 PHE 31 HE2 PHE 31 53.402 117.494 62.809 207 HZ PHE 31 HZ PHE 31 54.452 119.690 63.285 208 H ALA 32 H ALA 32 48.131 116.071 66.340 209 HA ALA 32 HA ALA 32 47.353 115.619 69.201 210 1HB ALA 32 1HB ALA 32 45.438 116.359 68.113 211 2HB ALA 32 2HB ALA 32 45.312 114.632 67.780 212 3HB ALA 32 3HB ALA 32 45.958 115.722 66.553 213 H TYR 33 H TYR 33 47.713 113.544 69.992 214 HA TYR 33 HA TYR 33 48.342 111.431 67.958 215 1HB TYR 33 1HB TYR 33 50.161 110.697 69.372 216 2HB TYR 33 2HB TYR 33 50.324 112.430 69.121 217 HD1 TYR 33 HD1 TYR 33 50.018 109.794 71.535 218 HD2 TYR 33 HD2 TYR 33 49.413 114.003 70.956 219 HE1 TYR 33 HE1 TYR 33 50.034 110.130 73.989 220 HE2 TYR 33 HE2 TYR 33 49.421 114.336 73.411 221 HH TYR 33 HH TYR 33 50.543 112.923 75.453 222 H SER 34 H SER 34 47.537 109.364 68.365 223 HA SER 34 HA SER 34 45.559 109.146 70.598 224 1HB SER 34 1HB SER 34 44.760 108.854 68.284 225 2HB SER 34 2HB SER 34 45.970 107.603 68.011 226 HG SER 34 HG SER 34 43.537 107.424 69.163 227 H ILE 35 H ILE 35 45.814 107.542 72.139 228 HA ILE 35 HA ILE 35 48.373 105.968 72.099 229 HB ILE 35 HB ILE 35 46.423 106.827 74.252 230 1HG1 ILE 35 1HG1 ILE 35 47.770 108.657 73.284 231 2HG1 ILE 35 2HG1 ILE 35 48.278 108.314 74.934 232 1HG2 ILE 35 1HG2 ILE 35 48.322 106.066 75.783 233 2HG2 ILE 35 2HG2 ILE 35 48.989 105.224 74.384 234 3HG2 ILE 35 3HG2 ILE 35 47.402 104.777 75.008 235 1HD1 ILE 35 1HD1 ILE 35 49.782 108.045 72.430 236 2HD1 ILE 35 2HD1 ILE 35 49.877 106.612 73.450 237 3HD1 ILE 35 3HD1 ILE 35 50.375 108.178 74.084 238 H ARG 36 H ARG 36 48.316 103.833 71.906 239 HA ARG 36 HA ARG 36 45.725 102.364 72.307 240 1HB ARG 36 1HB ARG 36 48.001 101.956 70.337 241 2HB ARG 36 2HB ARG 36 46.627 100.863 70.500 242 1HG ARG 36 1HG ARG 36 45.085 102.713 69.956 243 2HG ARG 36 2HG ARG 36 46.459 103.807 69.788 244 1HD ARG 36 1HD ARG 36 47.353 102.415 67.946 245 2HD ARG 36 2HD ARG 36 45.963 101.324 68.105 246 HE ARG 36 HE ARG 36 45.199 104.131 67.808 247 1HH1 ARG 36 1HH2 ARG 36 46.943 102.337 65.672 248 2HH1 ARG 36 2HH2 ARG 36 45.715 102.209 64.456 249 1HH2 ARG 36 2HH1 ARG 36 43.203 103.475 66.483 250 2HH2 ARG 36 1HH1 ARG 36 43.598 102.852 64.915 251 H ILE 37 H ILE 37 46.187 101.695 74.434 252 HA ILE 37 HA ILE 37 48.754 100.358 75.092 253 HB ILE 37 HB ILE 37 46.229 100.913 76.685 254 1HG1 ILE 37 1HG1 ILE 37 48.868 102.408 76.725 255 2HG1 ILE 37 2HG1 ILE 37 47.488 102.927 75.757 256 1HG2 ILE 37 1HG2 ILE 37 47.769 99.082 77.526 257 2HG2 ILE 37 2HG2 ILE 37 47.565 100.440 78.634 258 3HG2 ILE 37 3HG2 ILE 37 49.033 100.305 77.664 259 1HD1 ILE 37 1HD1 ILE 37 47.306 104.140 77.798 260 2HD1 ILE 37 2HD1 ILE 37 47.671 102.712 78.766 261 3HD1 ILE 37 3HD1 ILE 37 46.125 102.836 77.927 262 H GLN 38 H GLN 38 48.954 98.215 74.606 263 HA GLN 38 HA GLN 38 46.521 96.459 74.820 264 1HB GLN 38 1HB GLN 38 47.431 96.765 72.517 265 2HB GLN 38 2HB GLN 38 49.005 96.204 73.082 266 1HG GLN 38 1HG GLN 38 48.010 94.035 73.712 267 2HG GLN 38 2HG GLN 38 46.436 94.592 73.145 268 1HE2 GLN 38 1HE2 GLN 38 47.849 92.303 72.015 269 2HE2 GLN 38 2HE2 GLN 38 48.213 92.681 70.400 270 H ASN 39 H ASN 39 46.653 94.798 76.211 271 HA ASN 39 HA ASN 39 49.106 94.552 77.832 272 1HB ASN 39 1HB ASN 39 46.809 94.779 78.811 273 2HB ASN 39 2HB ASN 39 46.393 93.214 78.111 274 1HD2 ASN 39 1HD2 ASN 39 46.546 93.907 81.012 275 2HD2 ASN 39 2HD2 ASN 39 47.704 92.861 81.678 276 H ALA 40 H ALA 40 50.618 93.033 77.223 277 HA ALA 40 HA ALA 40 49.669 90.542 75.835 278 1HB ALA 40 1HB ALA 40 51.050 91.527 74.271 279 2HB ALA 40 2HB ALA 40 52.295 90.720 75.225 280 3HB ALA 40 3HB ALA 40 51.950 92.430 75.491 281 H GLY 41 H GLY 41 50.434 91.456 78.850 282 1HA GLY 41 1HA GLY 41 52.502 89.489 79.492 283 2HA GLY 41 2HA GLY 41 51.604 90.470 80.654 284 H ALA 42 H ALA 42 51.805 88.008 81.526 285 HA ALA 42 HA ALA 42 49.576 86.347 80.518 286 1HB ALA 42 1HB ALA 42 51.933 85.540 81.082 287 2HB ALA 42 2HB ALA 42 50.618 84.620 81.815 288 3HB ALA 42 3HB ALA 42 51.512 85.799 82.775 289 H VAL 43 H VAL 43 50.513 88.268 83.296 290 HA VAL 43 HA VAL 43 47.964 87.558 84.699 291 HB VAL 43 HB VAL 43 50.563 88.858 85.611 292 1HG1 VAL 43 1HG1 VAL 43 49.720 88.799 87.848 293 2HG1 VAL 43 2HG1 VAL 43 48.304 87.868 87.361 294 3HG1 VAL 43 3HG1 VAL 43 48.461 89.554 86.871 295 1HG2 VAL 43 1HG2 VAL 43 50.951 86.542 85.187 296 2HG2 VAL 43 2HG2 VAL 43 49.403 86.080 85.898 297 3HG2 VAL 43 3HG2 VAL 43 50.707 86.670 86.929 298 HA PRO 44 HA PRO 44 46.124 91.368 83.534 299 1HB PRO 44 1HB PRO 44 44.742 91.991 85.824 300 2HB PRO 44 2HB PRO 44 44.192 90.792 84.633 301 1HG PRO 44 1HG PRO 44 45.691 90.362 87.182 302 2HG PRO 44 2HG PRO 44 44.270 89.502 86.559 303 1HD PRO 44 1HD PRO 44 46.678 88.432 86.319 304 2HD PRO 44 2HD PRO 44 45.514 88.323 84.983 305 H ALA 45 H ALA 45 46.700 93.505 83.654 306 HA ALA 45 HA ALA 45 48.283 94.490 86.006 307 1HB ALA 45 1HB ALA 45 49.858 95.448 84.273 308 2HB ALA 45 2HB ALA 45 49.015 94.470 83.070 309 3HB ALA 45 3HB ALA 45 49.877 93.688 84.395 310 H ARG 46 H ARG 46 48.211 96.743 86.272 311 HA ARG 46 HA ARG 46 46.296 98.246 84.517 312 1HB ARG 46 1HB ARG 46 45.516 99.335 86.615 313 2HB ARG 46 2HB ARG 46 45.284 97.589 86.667 314 1HG ARG 46 1HG ARG 46 47.371 97.345 87.963 315 2HG ARG 46 2HG ARG 46 47.606 99.093 87.915 316 1HD ARG 46 1HD ARG 46 45.357 99.344 89.054 317 2HD ARG 46 2HD ARG 46 45.353 97.583 89.278 318 HE ARG 46 HE ARG 46 47.462 99.396 90.387 319 1HH1 ARG 46 1HH2 ARG 46 47.591 96.255 89.885 320 2HH1 ARG 46 2HH2 ARG 46 47.423 95.719 91.523 321 1HH2 ARG 46 2HH1 ARG 46 46.398 98.813 92.709 322 2HH2 ARG 46 1HH1 ARG 46 46.748 97.167 93.122 323 H LEU 47 H LEU 47 46.739 100.619 84.489 324 HA LEU 47 HA LEU 47 49.658 101.165 84.738 325 1HB LEU 47 1HB LEU 47 48.236 101.567 82.651 326 2HB LEU 47 2HB LEU 47 47.459 102.875 83.543 327 HG LEU 47 HG LEU 47 50.462 102.730 83.313 328 1HD1 LEU 47 1HD1 LEU 47 50.091 102.885 81.050 329 2HD1 LEU 47 2HD1 LEU 47 49.840 104.582 81.459 330 3HD1 LEU 47 3HD1 LEU 47 48.454 103.510 81.256 331 1HD2 LEU 47 1HD2 LEU 47 48.381 104.771 84.048 332 2HD2 LEU 47 2HD2 LEU 47 49.935 105.310 83.411 333 3HD2 LEU 47 3HD2 LEU 47 49.872 104.351 84.889 334 H VAL 48 H VAL 48 50.305 102.105 86.635 335 HA VAL 48 HA VAL 48 48.342 103.695 88.205 336 HB VAL 48 HB VAL 48 51.091 102.579 88.866 337 1HG1 VAL 48 1HG1 VAL 48 50.220 102.967 91.250 338 2HG1 VAL 48 2HG1 VAL 48 48.989 103.996 90.516 339 3HG1 VAL 48 3HG1 VAL 48 50.696 104.405 90.345 340 1HG2 VAL 48 1HG2 VAL 48 49.922 100.815 90.016 341 2HG2 VAL 48 2HG2 VAL 48 49.224 100.916 88.400 342 3HG2 VAL 48 3HG2 VAL 48 48.366 101.610 89.775 343 H ALA 49 H ALA 49 51.383 104.034 86.438 344 HA ALA 49 HA ALA 49 51.188 106.979 86.885 345 1HB ALA 49 1HB ALA 49 53.910 105.809 86.936 346 2HB ALA 49 2HB ALA 49 52.881 105.400 88.308 347 3HB ALA 49 3HB ALA 49 53.217 107.089 87.931 348 H ARG 50 H ARG 50 52.512 108.228 85.353 349 HA ARG 50 HA ARG 50 53.369 106.834 82.836 350 1HB ARG 50 1HB ARG 50 51.955 108.337 81.532 351 2HB ARG 50 2HB ARG 50 50.956 107.442 82.675 352 1HG ARG 50 1HG ARG 50 51.194 109.437 84.244 353 2HG ARG 50 2HG ARG 50 51.887 110.315 82.881 354 1HD ARG 50 1HD ARG 50 49.311 108.884 82.388 355 2HD ARG 50 2HD ARG 50 49.247 110.362 83.370 356 HE ARG 50 HE ARG 50 50.381 110.224 80.605 357 1HH1 ARG 50 1HH2 ARG 50 51.546 112.455 82.124 358 2HH1 ARG 50 2HH2 ARG 50 50.424 113.747 81.851 359 1HH2 ARG 50 2HH1 ARG 50 47.877 111.660 80.763 360 2HH2 ARG 50 1HH1 ARG 50 48.347 113.297 81.081 361 H HIS 51 H HIS 51 55.025 107.825 81.816 362 HA HIS 51 HA HIS 51 55.848 110.577 82.604 363 1HB HIS 51 1HB HIS 51 56.949 108.999 84.148 364 2HB HIS 51 2HB HIS 51 57.546 108.067 82.778 365 HD1 HIS 51 HD1 HIS 51 59.990 108.644 83.756 366 HD2 HIS 51 HD2 HIS 51 57.840 111.883 82.252 367 HE1 HIS 51 HE1 HIS 51 61.663 110.512 83.406 368 H TRP 52 H TRP 52 55.976 111.586 80.660 369 HA TRP 52 HA TRP 52 56.797 110.075 78.211 370 1HB TRP 52 1HB TRP 52 55.348 112.625 78.880 371 2HB TRP 52 2HB TRP 52 56.002 112.379 77.262 372 HD1 TRP 52 HD1 TRP 52 53.057 111.611 79.348 373 HE1 TRP 52 HE1 TRP 52 51.527 109.909 78.156 374 HE3 TRP 52 HE3 TRP 52 56.189 110.068 75.624 375 HZ2 TRP 52 HZ2 TRP 52 51.623 108.131 75.916 376 HZ3 TRP 52 HZ3 TRP 52 55.446 108.371 73.977 377 HH2 TRP 52 HH2 TRP 52 53.168 107.402 74.120 378 H GLN 53 H GLN 53 58.712 110.499 77.196 379 HA GLN 53 HA GLN 53 60.429 112.732 78.241 380 1HB GLN 53 1HB GLN 53 60.956 109.945 77.203 381 2HB GLN 53 2HB GLN 53 62.244 111.149 77.268 382 1HG GLN 53 1HG GLN 53 62.488 110.189 79.362 383 2HG GLN 53 2HG GLN 53 61.347 111.479 79.746 384 1HE2 GLN 53 1HE2 GLN 53 61.386 108.013 78.752 385 2HE2 GLN 53 2HE2 GLN 53 59.970 107.604 79.592 386 H ILE 54 H ILE 54 59.224 114.092 76.575 387 HA ILE 54 HA ILE 54 59.707 113.463 73.734 388 HB ILE 54 HB ILE 54 58.231 115.332 73.351 389 1HG1 ILE 54 1HG1 ILE 54 58.371 115.931 76.322 390 2HG1 ILE 54 2HG1 ILE 54 59.226 116.851 75.087 391 1HG2 ILE 54 1HG2 ILE 54 57.238 113.191 74.165 392 2HG2 ILE 54 2HG2 ILE 54 56.260 114.604 74.566 393 3HG2 ILE 54 3HG2 ILE 54 57.260 113.843 75.803 394 1HD1 ILE 54 1HD1 ILE 54 57.262 118.091 75.344 395 2HD1 ILE 54 2HD1 ILE 54 56.268 116.651 75.564 396 3HD1 ILE 54 3HD1 ILE 54 56.881 117.062 73.962 397 H THR 55 H THR 55 61.301 114.295 72.509 398 HA THR 55 HA THR 55 62.899 116.612 73.559 399 HB THR 55 HB THR 55 63.776 114.215 71.885 400 HG1 THR 55 HG1 THR 55 64.077 113.312 73.737 401 1HG2 THR 55 1HG2 THR 55 65.155 116.710 72.825 402 2HG2 THR 55 2HG2 THR 55 65.241 115.911 71.254 403 3HG2 THR 55 3HG2 THR 55 66.085 115.223 72.641 404 H ASP 56 H ASP 56 63.047 118.326 72.231 405 HA ASP 56 HA ASP 56 61.494 118.244 69.757 406 1HB ASP 56 1HB ASP 56 61.483 120.064 71.536 407 2HB ASP 56 2HB ASP 56 63.077 120.536 70.946 408 H GLY 57 H GLY 57 62.429 119.384 67.792 409 1HA GLY 57 1HA GLY 57 64.690 118.002 66.789 410 2HA GLY 57 2HA GLY 57 63.968 119.418 66.038 411 H ASN 58 H ASN 58 64.738 120.658 68.963 412 HA ASN 58 HA ASN 58 67.410 121.541 67.981 413 1HB ASN 58 1HB ASN 58 65.402 122.656 69.964 414 2HB ASN 58 2HB ASN 58 66.991 123.376 69.698 415 1HD2 ASN 58 1HD2 ASN 58 63.759 123.308 68.543 416 2HD2 ASN 58 2HD2 ASN 58 64.018 124.149 67.092 417 H GLY 59 H GLY 59 66.408 119.092 69.831 418 1HA GLY 59 1HA GLY 59 67.851 117.748 71.194 419 2HA GLY 59 2HA GLY 59 68.869 119.160 71.465 420 H ARG 60 H ARG 60 66.259 120.705 72.136 421 HA ARG 60 HA ARG 60 66.434 120.522 74.978 422 1HB ARG 60 1HB ARG 60 64.832 121.851 72.917 423 2HB ARG 60 2HB ARG 60 63.879 121.487 74.352 424 1HG ARG 60 1HG ARG 60 64.769 123.340 75.284 425 2HG ARG 60 2HG ARG 60 66.292 122.458 75.382 426 1HD ARG 60 1HD ARG 60 66.599 124.627 74.214 427 2HD ARG 60 2HD ARG 60 66.888 123.276 73.100 428 HE ARG 60 HE ARG 60 64.103 123.965 73.046 429 1HH1 ARG 60 2HH1 ARG 60 66.514 126.212 72.806 430 2HH1 ARG 60 1HH1 ARG 60 66.247 126.617 71.143 431 1HH2 ARG 60 1HH2 ARG 60 64.045 123.997 70.583 432 2HH2 ARG 60 2HH2 ARG 60 64.849 125.365 69.885 433 H THR 61 H THR 61 65.244 119.311 76.496 434 HA THR 61 HA THR 61 63.356 117.271 75.366 435 HB THR 61 HB THR 61 64.285 115.782 77.129 436 HG1 THR 61 HG1 THR 61 66.150 117.873 77.537 437 1HG2 THR 61 1HG2 THR 61 65.279 115.981 74.800 438 2HG2 THR 61 2HG2 THR 61 66.370 115.350 76.034 439 3HG2 THR 61 3HG2 THR 61 66.511 117.027 75.504 440 H GLU 62 H GLU 62 61.396 117.031 76.501 441 HA GLU 62 HA GLU 62 61.069 118.644 79.010 442 1HB GLU 62 1HB GLU 62 59.242 118.147 76.643 443 2HB GLU 62 2HB GLU 62 58.683 118.880 78.147 444 1HG GLU 62 1HG GLU 62 60.361 120.674 77.898 445 2HG GLU 62 2HG GLU 62 60.919 119.945 76.394 446 H GLN 63 H GLN 63 60.770 117.280 80.700 447 HA GLN 63 HA GLN 63 59.586 114.567 80.256 448 1HB GLN 63 1HB GLN 63 61.242 115.874 82.423 449 2HB GLN 63 2HB GLN 63 60.586 114.243 82.561 450 1HG GLN 63 1HG GLN 63 61.776 113.585 80.502 451 2HG GLN 63 2HG GLN 63 62.436 115.215 80.364 452 1HE2 GLN 63 1HE2 GLN 63 63.771 112.484 80.931 453 2HE2 GLN 63 2HE2 GLN 63 64.701 112.771 82.322 454 H VAL 64 H VAL 64 57.601 114.082 81.120 455 HA VAL 64 HA VAL 64 56.408 115.989 83.108 456 HB VAL 64 HB VAL 64 55.097 114.593 80.745 457 1HG1 VAL 64 1HG1 VAL 64 53.472 114.814 82.502 458 2HG1 VAL 64 2HG1 VAL 64 53.171 116.131 81.368 459 3HG1 VAL 64 3HG1 VAL 64 54.017 116.447 82.883 460 1HG2 VAL 64 1HG2 VAL 64 54.804 116.986 79.961 461 2HG2 VAL 64 2HG2 VAL 64 56.474 116.418 79.966 462 3HG2 VAL 64 3HG2 VAL 64 55.895 117.473 81.256 463 H ASP 65 H ASP 65 55.661 115.018 84.905 464 HA ASP 65 HA ASP 65 55.236 112.041 84.895 465 1HB ASP 65 1HB ASP 65 56.489 113.925 86.911 466 2HB ASP 65 2HB ASP 65 56.072 112.253 87.288 467 H GLY 66 H GLY 66 53.173 111.485 85.485 468 1HA GLY 66 1HA GLY 66 51.720 113.141 87.455 469 2HA GLY 66 2HA GLY 66 50.969 112.970 85.868 470 H GLU 67 H GLU 67 50.155 111.932 88.584 471 HA GLU 67 HA GLU 67 50.495 109.073 88.649 472 1HB GLU 67 1HB GLU 67 48.632 109.221 90.288 473 2HB GLU 67 2HB GLU 67 49.849 110.461 90.583 474 1HG GLU 67 1HG GLU 67 48.493 112.168 89.610 475 2HG GLU 67 2HG GLU 67 47.389 110.988 88.903 476 H GLY 68 H GLY 68 48.925 107.435 88.059 477 1HA GLY 68 1HA GLY 68 47.530 106.412 86.484 478 2HA GLY 68 2HA GLY 68 46.422 107.704 86.925 479 H VAL 69 H VAL 69 45.729 107.403 84.656 480 HA VAL 69 HA VAL 69 47.339 109.102 82.759 481 HB VAL 69 HB VAL 69 46.477 107.527 80.983 482 1HG1 VAL 69 1HG1 VAL 69 48.427 106.825 83.112 483 2HG1 VAL 69 2HG1 VAL 69 48.674 107.027 81.378 484 3HG1 VAL 69 3HG1 VAL 69 47.972 105.533 82.001 485 1HG2 VAL 69 1HG2 VAL 69 44.594 106.588 82.319 486 2HG2 VAL 69 2HG2 VAL 69 45.764 105.792 83.372 487 3HG2 VAL 69 3HG2 VAL 69 45.644 105.325 81.677 488 H VAL 70 H VAL 70 46.225 110.737 81.995 489 HA VAL 70 HA VAL 70 44.483 112.287 81.818 490 HB VAL 70 HB VAL 70 42.840 111.546 80.177 491 1HG1 VAL 70 1HG1 VAL 70 44.576 111.674 78.762 492 2HG1 VAL 70 2HG1 VAL 70 44.731 109.922 78.894 493 3HG1 VAL 70 3HG1 VAL 70 45.680 110.974 79.943 494 1HG2 VAL 70 1HG2 VAL 70 42.263 109.411 81.360 495 2HG2 VAL 70 2HG2 VAL 70 43.751 108.708 80.728 496 3HG2 VAL 70 3HG2 VAL 70 42.479 109.223 79.624 497 H GLY 71 H GLY 71 44.454 110.977 84.376 498 1HA GLY 71 1HA GLY 71 43.059 111.282 86.254 499 2HA GLY 71 2HA GLY 71 41.733 111.681 85.174 500 H GLU 72 H GLU 72 43.309 108.664 84.482 501 HA GLU 72 HA GLU 72 41.340 107.185 86.175 502 1HB GLU 72 1HB GLU 72 40.562 105.919 84.191 503 2HB GLU 72 2HB GLU 72 40.232 107.644 84.041 504 1HG GLU 72 1HG GLU 72 42.094 107.951 82.572 505 2HG GLU 72 2HG GLU 72 42.693 106.326 82.877 506 H GLN 73 H GLN 73 41.872 105.034 86.598 507 HA GLN 73 HA GLN 73 44.656 104.161 85.855 508 1HB GLN 73 1HB GLN 73 42.906 103.804 88.306 509 2HB GLN 73 2HB GLN 73 44.414 102.920 88.063 510 1HG GLN 73 1HG GLN 73 45.696 104.952 88.029 511 2HG GLN 73 2HG GLN 73 44.237 105.941 87.971 512 1HE2 GLN 73 1HE2 GLN 73 42.730 105.659 89.955 513 2HE2 GLN 73 2HE2 GLN 73 43.473 105.422 91.462 514 HA PRO 74 HA PRO 74 41.397 101.361 83.975 515 1HB PRO 74 1HB PRO 74 42.914 100.636 81.820 516 2HB PRO 74 2HB PRO 74 41.865 102.069 81.834 517 1HG PRO 74 1HG PRO 74 44.807 101.876 82.242 518 2HG PRO 74 2HG PRO 74 43.868 103.076 81.337 519 1HD PRO 74 1HD PRO 74 44.850 103.549 83.814 520 2HD PRO 74 2HD PRO 74 43.346 104.282 83.216 521 H TRP 75 H TRP 75 41.340 99.177 84.285 522 HA TRP 75 HA TRP 75 43.766 97.838 85.398 523 1HB TRP 75 1HB TRP 75 41.279 98.066 86.368 524 2HB TRP 75 2HB TRP 75 41.007 96.663 85.337 525 HD1 TRP 75 HD1 TRP 75 43.381 97.814 88.157 526 HE1 TRP 75 HE1 TRP 75 44.102 95.732 89.496 527 HE3 TRP 75 HE3 TRP 75 41.133 94.161 85.386 528 HZ2 TRP 75 HZ2 TRP 75 43.765 92.896 89.404 529 HZ3 TRP 75 HZ3 TRP 75 41.349 91.779 86.034 530 HH2 TRP 75 HH2 TRP 75 42.664 91.141 88.037 531 H LEU 76 H LEU 76 44.593 97.694 83.086 532 HA LEU 76 HA LEU 76 43.226 96.290 81.019 533 1HB LEU 76 1HB LEU 76 46.000 97.124 81.681 534 2HB LEU 76 2HB LEU 76 45.828 95.884 80.438 535 HG LEU 76 HG LEU 76 44.355 98.535 80.435 536 1HD1 LEU 76 1HD1 LEU 76 46.927 98.511 80.075 537 2HD1 LEU 76 2HD1 LEU 76 45.927 99.327 78.873 538 3HD1 LEU 76 3HD1 LEU 76 46.553 97.712 78.548 539 1HD2 LEU 76 1HD2 LEU 76 44.358 96.096 78.706 540 2HD2 LEU 76 2HD2 LEU 76 44.226 97.663 77.909 541 3HD2 LEU 76 3HD2 LEU 76 43.028 97.182 79.110 542 H ARG 77 H ARG 77 42.584 94.217 81.032 543 HA ARG 77 HA ARG 77 43.887 92.194 82.750 544 1HB ARG 77 1HB ARG 77 41.451 92.419 80.986 545 2HB ARG 77 2HB ARG 77 41.998 90.829 81.515 546 1HG ARG 77 1HG ARG 77 42.092 92.082 83.882 547 2HG ARG 77 2HG ARG 77 40.845 93.066 83.115 548 1HD ARG 77 1HD ARG 77 40.777 90.031 83.299 549 2HD ARG 77 2HD ARG 77 39.844 91.138 84.327 550 HE ARG 77 HE ARG 77 38.887 92.044 82.123 551 1HH1 ARG 77 2HH1 ARG 77 37.964 89.223 83.028 552 2HH1 ARG 77 1HH1 ARG 77 37.980 88.394 81.508 553 1HH2 ARG 77 1HH2 ARG 77 39.859 90.826 79.901 554 2HH2 ARG 77 2HH2 ARG 77 39.053 89.301 79.737 555 HA PRO 78 HA PRO 78 46.550 90.560 79.664 556 1HB PRO 78 1HB PRO 78 46.022 87.872 79.591 557 2HB PRO 78 2HB PRO 78 46.969 88.639 80.882 558 1HG PRO 78 1HG PRO 78 44.107 87.820 80.869 559 2HG PRO 78 2HG PRO 78 45.318 87.671 82.153 560 1HD PRO 78 1HD PRO 78 43.431 89.610 82.139 561 2HD PRO 78 2HD PRO 78 45.042 89.840 82.850 562 H GLY 79 H GLY 79 46.334 90.724 77.509 563 1HA GLY 79 1HA GLY 79 45.491 90.183 75.334 564 2HA GLY 79 2HA GLY 79 44.119 89.382 76.092 565 H GLU 80 H GLU 80 43.892 92.030 77.800 566 HA GLU 80 HA GLU 80 42.011 93.326 75.927 567 1HB GLU 80 1HB GLU 80 42.737 93.669 78.851 568 2HB GLU 80 2HB GLU 80 41.527 94.664 78.041 569 1HG GLU 80 1HG GLU 80 41.440 91.635 78.154 570 2HG GLU 80 2HG GLU 80 40.536 92.696 79.235 571 H ALA 81 H ALA 81 42.032 95.759 75.784 572 HA ALA 81 HA ALA 81 44.718 96.995 76.095 573 1HB ALA 81 1HB ALA 81 44.610 95.937 73.861 574 2HB ALA 81 2HB ALA 81 44.650 97.694 73.716 575 3HB ALA 81 3HB ALA 81 43.128 96.827 73.511 576 H PHE 82 H PHE 82 44.604 99.316 76.189 577 HA PHE 82 HA PHE 82 41.830 100.448 76.396 578 1HB PHE 82 1HB PHE 82 43.018 100.206 78.551 579 2HB PHE 82 2HB PHE 82 44.379 101.125 77.908 580 HD1 PHE 82 HD1 PHE 82 44.212 103.538 77.522 581 HD2 PHE 82 HD2 PHE 82 40.896 101.297 79.085 582 HE1 PHE 82 HE1 PHE 82 43.086 105.651 78.170 583 HE2 PHE 82 HE2 PHE 82 39.772 103.411 79.731 584 HZ PHE 82 HZ PHE 82 40.867 105.588 79.272 585 H HIS 83 H HIS 83 41.561 102.568 75.417 586 HA HIS 83 HA HIS 83 43.948 103.748 74.074 587 1HB HIS 83 1HB HIS 83 42.670 103.809 71.939 588 2HB HIS 83 2HB HIS 83 42.936 102.161 72.501 589 HD1 HIS 83 HD1 HIS 83 40.243 104.773 72.151 590 HD2 HIS 83 HD2 HIS 83 40.587 100.770 73.263 591 HE1 HIS 83 HE1 HIS 83 37.883 103.865 72.298 592 H TYR 84 H TYR 84 43.843 105.981 73.909 593 HA TYR 84 HA TYR 84 41.267 107.386 74.258 594 1HB TYR 84 1HB TYR 84 42.043 108.598 76.234 595 2HB TYR 84 2HB TYR 84 42.137 106.868 76.544 596 HD1 TYR 84 HD1 TYR 84 44.041 109.959 76.019 597 HD2 TYR 84 HD2 TYR 84 44.316 105.715 76.605 598 HE1 TYR 84 HE1 TYR 84 46.453 110.188 76.548 599 HE2 TYR 84 HE2 TYR 84 46.727 105.941 77.132 600 HH TYR 84 HH TYR 84 48.164 108.509 78.078 601 H THR 85 H THR 85 41.511 109.732 73.772 602 HA THR 85 HA THR 85 43.751 110.190 71.852 603 HB THR 85 HB THR 85 41.137 111.662 72.313 604 HG1 THR 85 HG1 THR 85 40.275 110.247 71.021 605 1HG2 THR 85 1HG2 THR 85 41.567 112.627 70.102 606 2HG2 THR 85 2HG2 THR 85 43.077 111.722 69.984 607 3HG2 THR 85 3HG2 THR 85 42.904 112.995 71.193 608 H SER 86 H SER 86 45.253 111.800 72.192 609 HA SER 86 HA SER 86 44.869 113.581 74.577 610 1HB SER 86 1HB SER 86 46.487 111.891 75.065 611 2HB SER 86 2HB SER 86 47.279 112.111 73.505 612 HG SER 86 HG SER 86 47.165 113.910 75.697 613 H GLY 87 H GLY 87 46.340 115.639 74.342 614 1HA GLY 87 1HA GLY 87 46.893 116.347 71.509 615 2HA GLY 87 2HA GLY 87 45.809 117.390 72.426 616 H VAL 88 H VAL 88 48.889 117.202 71.406 617 HA VAL 88 HA VAL 88 49.937 118.797 73.729 618 HB VAL 88 HB VAL 88 51.303 116.659 72.049 619 1HG1 VAL 88 1HG1 VAL 88 53.058 118.153 72.425 620 2HG1 VAL 88 2HG1 VAL 88 53.149 117.148 73.872 621 3HG1 VAL 88 3HG1 VAL 88 52.374 118.731 73.945 622 1HG2 VAL 88 1HG2 VAL 88 51.126 116.672 75.042 623 2HG2 VAL 88 2HG2 VAL 88 51.228 115.303 73.935 624 3HG2 VAL 88 3HG2 VAL 88 49.711 116.180 74.114 625 H LEU 89 H LEU 89 51.390 120.498 73.115 626 HA LEU 89 HA LEU 89 51.178 121.283 70.235 627 1HB LEU 89 1HB LEU 89 50.181 122.627 72.215 628 2HB LEU 89 2HB LEU 89 51.848 123.074 72.571 629 HG LEU 89 HG LEU 89 50.738 123.403 69.791 630 1HD1 LEU 89 1HD1 LEU 89 49.156 124.673 70.992 631 2HD1 LEU 89 2HD1 LEU 89 50.396 125.856 70.579 632 3HD1 LEU 89 3HD1 LEU 89 50.339 125.170 72.202 633 1HD2 LEU 89 1HD2 LEU 89 52.458 125.459 70.277 634 2HD2 LEU 89 2HD2 LEU 89 52.966 123.903 69.621 635 3HD2 LEU 89 3HD2 LEU 89 53.129 124.228 71.347 636 H LEU 90 H LEU 90 53.073 121.857 69.120 637 HA LEU 90 HA LEU 90 55.659 121.460 70.592 638 1HB LEU 90 1HB LEU 90 54.718 120.675 67.828 639 2HB LEU 90 2HB LEU 90 56.426 120.671 68.268 640 HG LEU 90 HG LEU 90 54.305 119.197 69.844 641 1HD1 LEU 90 1HD1 LEU 90 54.249 117.867 67.983 642 2HD1 LEU 90 2HD1 LEU 90 55.759 117.245 68.649 643 3HD1 LEU 90 3HD1 LEU 90 55.793 118.469 67.380 644 1HD2 LEU 90 1HD2 LEU 90 56.104 119.354 71.281 645 2HD2 LEU 90 2HD2 LEU 90 57.270 119.529 69.969 646 3HD2 LEU 90 3HD2 LEU 90 56.616 117.939 70.363 647 H GLU 91 H GLU 91 57.369 122.947 70.050 648 HA GLU 91 HA GLU 91 56.538 125.555 69.079 649 1HB GLU 91 1HB GLU 91 58.247 125.021 70.863 650 2HB GLU 91 2HB GLU 91 59.317 124.454 69.580 651 1HG GLU 91 1HG GLU 91 59.882 126.760 70.067 652 2HG GLU 91 2HG GLU 91 59.096 126.708 68.489 653 H THR 92 H THR 92 58.078 122.745 67.621 654 HA THR 92 HA THR 92 58.370 124.301 65.071 655 HB THR 92 HB THR 92 60.344 122.840 64.647 656 HG1 THR 92 HG1 THR 92 60.294 121.073 65.773 657 1HG2 THR 92 1HG2 THR 92 61.786 123.786 66.473 658 2HG2 THR 92 2HG2 THR 92 60.317 124.347 67.274 659 3HG2 THR 92 3HG2 THR 92 60.755 124.985 65.689 660 H GLU 93 H GLU 93 58.465 122.716 63.133 661 HA GLU 93 HA GLU 93 56.075 121.005 63.242 662 1HB GLU 93 1HB GLU 93 58.026 121.782 61.055 663 2HB GLU 93 2HB GLU 93 56.525 120.895 60.787 664 1HG GLU 93 1HG GLU 93 55.241 122.772 61.744 665 2HG GLU 93 2HG GLU 93 56.741 123.660 62.010 666 H GLN 94 H GLN 94 59.068 120.283 64.302 667 HA GLN 94 HA GLN 94 58.883 117.491 63.282 668 1HB GLN 94 1HB GLN 94 61.273 119.347 63.309 669 2HB GLN 94 2HB GLN 94 61.425 117.603 63.088 670 1HG GLN 94 1HG GLN 94 59.936 117.717 61.124 671 2HG GLN 94 2HG GLN 94 59.785 119.461 61.339 672 1HE2 GLN 94 1HE2 GLN 94 61.132 117.692 59.152 673 2HE2 GLN 94 2HE2 GLN 94 62.674 118.381 58.988 674 H GLY 95 H GLY 95 59.602 115.914 64.888 675 1HA GLY 95 1HA GLY 95 61.143 116.563 67.184 676 2HA GLY 95 2HA GLY 95 59.451 116.756 67.624 677 H GLN 96 H GLN 96 61.201 114.914 68.799 678 HA GLN 96 HA GLN 96 60.106 112.251 67.901 679 1HB GLN 96 1HB GLN 96 62.662 112.933 69.395 680 2HB GLN 96 2HB GLN 96 62.185 111.334 68.829 681 1HG GLN 96 1HG GLN 96 62.095 112.392 66.477 682 2HG GLN 96 2HG GLN 96 62.991 113.735 67.191 683 1HE2 GLN 96 1HE2 GLN 96 63.615 111.146 65.355 684 2HE2 GLN 96 2HE2 GLN 96 65.118 110.659 65.978 685 H MET 97 H MET 97 58.771 111.291 69.428 686 HA MET 97 HA MET 97 58.986 112.254 72.266 687 1HB MET 97 1HB MET 97 56.612 111.599 70.507 688 2HB MET 97 2HB MET 97 56.475 111.830 72.250 689 1HG MET 97 1HG MET 97 57.379 114.093 72.052 690 2HG MET 97 2HG MET 97 57.618 113.869 70.320 691 1HE MET 97 1HE MET 97 55.419 113.309 73.113 692 2HE MET 97 2HE MET 97 53.778 113.222 72.480 693 3HE MET 97 3HE MET 97 54.431 114.772 73.004 694 H GLN 98 H GLN 98 59.725 110.570 73.533 695 HA GLN 98 HA GLN 98 58.643 107.811 73.042 696 1HB GLN 98 1HB GLN 98 61.028 108.222 72.273 697 2HB GLN 98 2HB GLN 98 61.432 108.610 73.945 698 1HG GLN 98 1HG GLN 98 60.669 106.373 74.655 699 2HG GLN 98 2HG GLN 98 60.267 105.979 72.982 700 1HE2 GLN 98 1HE2 GLN 98 62.269 104.563 74.599 701 2HE2 GLN 98 2HE2 GLN 98 63.767 104.783 73.832 702 H GLY 99 H GLY 99 58.277 106.636 75.071 703 1HA GLY 99 1HA GLY 99 59.045 107.817 77.616 704 2HA GLY 99 2HA GLY 99 57.348 108.122 77.257 705 H HIS 100 H HIS 100 57.452 106.746 79.409 706 HA HIS 100 HA HIS 100 56.858 103.942 78.594 707 1HB HIS 100 1HB HIS 100 58.167 103.116 80.503 708 2HB HIS 100 2HB HIS 100 59.178 104.071 79.423 709 HD1 HIS 100 HD1 HIS 100 60.556 105.797 80.563 710 HD2 HIS 100 HD2 HIS 100 57.145 104.870 82.772 711 HE1 HIS 100 HE1 HIS 100 60.724 107.109 82.722 712 H TYR 101 H TYR 101 55.456 102.824 80.115 713 HA TYR 101 HA TYR 101 53.814 104.680 81.799 714 1HB TYR 101 1HB TYR 101 53.233 102.335 80.011 715 2HB TYR 101 2HB TYR 101 52.125 102.690 81.330 716 HD1 TYR 101 HD1 TYR 101 52.161 105.658 81.409 717 HD2 TYR 101 HD2 TYR 101 52.121 102.969 78.056 718 HE1 TYR 101 HE1 TYR 101 51.085 107.403 80.018 719 HE2 TYR 101 HE2 TYR 101 51.045 104.718 76.670 720 HH TYR 101 HH TYR 101 49.515 106.833 77.249 721 H ASP 102 H ASP 102 53.808 104.159 84.041 722 HA ASP 102 HA ASP 102 55.190 101.711 84.935 723 1HB ASP 102 1HB ASP 102 55.362 104.015 86.006 724 2HB ASP 102 2HB ASP 102 53.675 103.838 86.494 725 H MET 103 H MET 103 54.197 99.852 85.244 726 HA MET 103 HA MET 103 51.214 99.806 85.659 727 1HB MET 103 1HB MET 103 53.034 97.924 84.130 728 2HB MET 103 2HB MET 103 51.292 97.728 84.319 729 1HG MET 103 1HG MET 103 51.233 100.196 83.359 730 2HG MET 103 2HG MET 103 52.809 99.747 82.705 731 1HE MET 103 1HE MET 103 48.655 98.310 81.791 732 2HE MET 103 2HE MET 103 49.298 99.057 83.252 733 3HE MET 103 3HE MET 103 49.399 97.311 83.048 734 H VAL 104 H VAL 104 50.463 97.884 86.856 735 HA VAL 104 HA VAL 104 52.544 96.565 88.554 736 HB VAL 104 HB VAL 104 50.940 96.978 90.498 737 1HG1 VAL 104 1HG1 VAL 104 52.088 99.470 89.220 738 2HG1 VAL 104 2HG1 VAL 104 53.061 98.255 90.049 739 3HG1 VAL 104 3HG1 VAL 104 51.843 99.167 90.941 740 1HG2 VAL 104 1HG2 VAL 104 48.942 97.564 89.181 741 2HG2 VAL 104 2HG2 VAL 104 49.777 98.969 88.520 742 3HG2 VAL 104 3HG2 VAL 104 49.391 98.901 90.240 743 H ALA 105 H ALA 105 52.166 94.384 88.614 744 HA ALA 105 HA ALA 105 49.785 93.194 87.395 745 1HB ALA 105 1HB ALA 105 50.953 91.109 87.985 746 2HB ALA 105 2HB ALA 105 52.055 92.008 89.029 747 3HB ALA 105 3HB ALA 105 52.092 92.259 87.283 748 H ASP 106 H ASP 106 48.527 91.489 88.651 749 HA ASP 106 HA ASP 106 47.220 92.653 90.920 750 1HB ASP 106 1HB ASP 106 47.337 89.963 89.587 751 2HB ASP 106 2HB ASP 106 46.469 90.124 91.114 752 H ASP 107 H ASP 107 49.931 90.389 90.663 753 HA ASP 107 HA ASP 107 49.988 89.586 93.431 754 1HB ASP 107 1HB ASP 107 52.024 89.656 91.192 755 2HB ASP 107 2HB ASP 107 52.348 88.912 92.758 756 H GLY 108 H GLY 108 50.929 92.533 91.870 757 1HA GLY 108 1HA GLY 108 51.450 94.487 93.237 758 2HA GLY 108 2HA GLY 108 52.216 93.414 94.407 759 H THR 109 H THR 109 53.257 92.167 91.565 760 HA THR 109 HA THR 109 55.940 93.035 91.810 761 HB THR 109 HB THR 109 54.489 92.119 89.306 762 HG1 THR 109 HG1 THR 109 54.060 90.499 90.591 763 1HG2 THR 109 1HG2 THR 109 57.361 91.831 90.232 764 2HG2 THR 109 2HG2 THR 109 56.793 92.869 88.922 765 3HG2 THR 109 3HG2 THR 109 56.688 91.115 88.767 766 H GLU 110 H GLU 110 57.016 94.856 91.033 767 HA GLU 110 HA GLU 110 55.371 96.913 89.646 768 1HB GLU 110 1HB GLU 110 58.008 96.916 91.140 769 2HB GLU 110 2HB GLU 110 57.367 98.347 90.331 770 1HG GLU 110 1HG GLU 110 55.862 96.769 92.436 771 2HG GLU 110 2HG GLU 110 56.778 98.239 92.767 772 H PHE 111 H PHE 111 55.885 97.660 87.599 773 HA PHE 111 HA PHE 111 58.442 97.197 86.303 774 1HB PHE 111 1HB PHE 111 57.713 95.500 84.722 775 2HB PHE 111 2HB PHE 111 57.384 94.910 86.348 776 HD1 PHE 111 HD1 PHE 111 55.908 96.149 83.216 777 HD2 PHE 111 HD2 PHE 111 55.082 94.778 87.202 778 HE1 PHE 111 HE1 PHE 111 53.517 95.863 82.622 779 HE2 PHE 111 HE2 PHE 111 52.692 94.495 86.608 780 HZ PHE 111 HZ PHE 111 51.909 95.037 84.320 781 H ILE 112 H ILE 112 58.593 98.343 84.348 782 HA ILE 112 HA ILE 112 56.335 100.223 83.840 783 HB ILE 112 HB ILE 112 58.121 101.580 82.772 784 1HG1 ILE 112 1HG1 ILE 112 60.088 99.500 83.745 785 2HG1 ILE 112 2HG1 ILE 112 59.443 99.455 82.104 786 1HG2 ILE 112 1HG2 ILE 112 59.188 102.218 84.791 787 2HG2 ILE 112 2HG2 ILE 112 59.121 100.580 85.440 788 3HG2 ILE 112 3HG2 ILE 112 57.644 101.534 85.301 789 1HD1 ILE 112 1HD1 ILE 112 60.345 101.614 81.593 790 2HD1 ILE 112 2HD1 ILE 112 61.641 100.712 82.379 791 3HD1 ILE 112 3HD1 ILE 112 60.733 101.923 83.286 792 H ALA 113 H ALA 113 55.789 100.729 81.604 793 HA ALA 113 HA ALA 113 56.359 98.501 79.678 794 1HB ALA 113 1HB ALA 113 54.080 98.886 78.861 795 2HB ALA 113 2HB ALA 113 53.902 100.274 79.934 796 3HB ALA 113 3HB ALA 113 54.022 98.649 80.608 797 HA PRO 114 HA PRO 114 58.319 102.228 77.928 798 1HB PRO 114 1HB PRO 114 59.611 100.921 75.915 799 2HB PRO 114 2HB PRO 114 60.249 101.020 77.570 800 1HG PRO 114 1HG PRO 114 58.790 98.794 76.236 801 2HG PRO 114 2HG PRO 114 60.190 98.736 77.319 802 1HD PRO 114 1HD PRO 114 57.683 98.183 78.154 803 2HD PRO 114 2HD PRO 114 58.905 98.920 79.212 804 H ILE 115 H ILE 115 57.711 103.471 76.296 805 HA ILE 115 HA ILE 115 55.638 102.461 74.362 806 HB ILE 115 HB ILE 115 56.279 105.277 75.312 807 1HG1 ILE 115 1HG1 ILE 115 53.939 103.518 76.109 808 2HG1 ILE 115 2HG1 ILE 115 55.391 103.697 77.095 809 1HG2 ILE 115 1HG2 ILE 115 54.583 106.011 73.968 810 2HG2 ILE 115 2HG2 ILE 115 53.644 104.532 74.164 811 3HG2 ILE 115 3HG2 ILE 115 55.000 104.574 73.036 812 1HD1 ILE 115 1HD1 ILE 115 53.915 105.317 77.974 813 2HD1 ILE 115 2HD1 ILE 115 53.346 105.793 76.374 814 3HD1 ILE 115 3HD1 ILE 115 54.968 106.243 76.903 815 H ALA 116 H ALA 116 56.357 102.256 72.311 816 HA ALA 116 HA ALA 116 58.934 102.736 71.344 817 1HB ALA 116 1HB ALA 116 57.722 102.723 69.091 818 2HB ALA 116 2HB ALA 116 56.218 102.680 70.014 819 3HB ALA 116 3HB ALA 116 57.381 101.362 70.159 820 H ALA 117 H ALA 117 59.965 104.470 70.312 821 HA ALA 117 HA ALA 117 58.852 107.151 70.790 822 1HB ALA 117 1HB ALA 117 61.082 107.844 70.311 823 2HB ALA 117 2HB ALA 117 61.417 106.380 69.388 824 3HB ALA 117 3HB ALA 117 61.258 106.298 71.143 825 H PHE 118 H PHE 118 57.624 108.154 69.262 826 HA PHE 118 HA PHE 118 57.926 107.333 66.396 827 1HB PHE 118 1HB PHE 118 55.600 108.251 66.203 828 2HB PHE 118 2HB PHE 118 55.711 106.923 67.353 829 HD1 PHE 118 HD1 PHE 118 55.346 107.268 69.711 830 HD2 PHE 118 HD2 PHE 118 55.420 110.598 67.002 831 HE1 PHE 118 HE1 PHE 118 54.417 108.729 71.485 832 HE2 PHE 118 HE2 PHE 118 54.491 112.062 68.777 833 HZ PHE 118 HZ PHE 118 53.990 111.127 71.019 834 H VAL 119 H VAL 119 57.643 109.211 64.824 835 HA VAL 119 HA VAL 119 58.848 111.693 65.990 836 HB VAL 119 HB VAL 119 60.312 110.378 64.502 837 1HG1 VAL 119 1HG1 VAL 119 59.621 110.263 62.047 838 2HG1 VAL 119 2HG1 VAL 119 57.993 110.681 62.582 839 3HG1 VAL 119 3HG1 VAL 119 58.748 109.189 63.140 840 1HG2 VAL 119 1HG2 VAL 119 59.271 112.900 63.170 841 2HG2 VAL 119 2HG2 VAL 119 60.843 112.157 62.880 842 3HG2 VAL 119 3HG2 VAL 119 60.473 112.849 64.460 843 H LEU 120 H LEU 120 58.127 113.709 65.096 844 HA LEU 120 HA LEU 120 55.410 113.585 63.823 845 1HB LEU 120 1HB LEU 120 56.734 115.558 65.712 846 2HB LEU 120 2HB LEU 120 55.195 115.876 64.915 847 HG LEU 120 HG LEU 120 54.377 113.673 65.927 848 1HD1 LEU 120 1HD1 LEU 120 55.828 113.417 68.207 849 2HD1 LEU 120 2HD1 LEU 120 57.103 113.870 67.078 850 3HD1 LEU 120 3HD1 LEU 120 56.112 112.445 66.764 851 1HD2 LEU 120 1HD2 LEU 120 53.476 114.873 67.653 852 2HD2 LEU 120 2HD2 LEU 120 54.262 116.228 66.845 853 3HD2 LEU 120 3HD2 LEU 120 55.049 115.442 68.212 854 H SER 121 H SER 121 55.198 114.570 61.853 855 HA SER 121 HA SER 121 57.100 116.672 60.991 856 1HB SER 121 1HB SER 121 58.020 114.296 60.566 857 2HB SER 121 2HB SER 121 56.743 114.149 59.362 858 HG SER 121 HG SER 121 58.755 114.949 58.521 Start of MODEL 5 1 H ARG 6 1H ARG 6 56.148 87.050 82.234 2 HA ARG 6 HA ARG 6 53.697 86.483 81.925 3 1HB ARG 6 1HB ARG 6 53.965 86.723 84.934 4 2HB ARG 6 2HB ARG 6 52.413 86.576 84.106 5 1HG ARG 6 1HG ARG 6 53.143 84.438 83.113 6 2HG ARG 6 2HG ARG 6 54.693 84.582 83.944 7 1HD ARG 6 1HD ARG 6 53.409 84.671 86.133 8 2HD ARG 6 2HD ARG 6 51.956 84.239 85.209 9 HE ARG 6 HE ARG 6 53.322 82.225 84.396 10 1HH1 ARG 6 1HH2 ARG 6 52.353 81.976 87.262 11 2HH1 ARG 6 2HH2 ARG 6 53.793 81.447 88.064 12 1HH2 ARG 6 2HH1 ARG 6 55.897 82.357 85.462 13 2HH2 ARG 6 1HH1 ARG 6 55.799 81.662 87.046 14 H TYR 7 H TYR 7 55.631 88.976 82.349 15 HA TYR 7 HA TYR 7 53.435 90.994 82.682 16 1HB TYR 7 1HB TYR 7 56.407 91.174 83.285 17 2HB TYR 7 2HB TYR 7 55.235 92.464 83.549 18 HD1 TYR 7 HD1 TYR 7 52.939 91.277 84.737 19 HD2 TYR 7 HD2 TYR 7 57.063 90.215 85.303 20 HE1 TYR 7 HE1 TYR 7 52.388 90.310 86.953 21 HE2 TYR 7 HE2 TYR 7 56.511 89.252 87.520 22 HH TYR 7 HH TYR 7 54.301 88.243 88.585 23 H ARG 8 H ARG 8 52.911 91.590 80.613 24 HA ARG 8 HA ARG 8 55.039 92.728 78.865 25 1HB ARG 8 1HB ARG 8 53.218 90.393 78.244 26 2HB ARG 8 2HB ARG 8 53.952 91.363 76.968 27 1HG ARG 8 1HG ARG 8 56.194 90.873 77.886 28 2HG ARG 8 2HG ARG 8 55.457 89.884 79.147 29 1HD ARG 8 1HD ARG 8 54.508 88.379 77.429 30 2HD ARG 8 2HD ARG 8 55.258 89.366 76.158 31 HE ARG 8 HE ARG 8 57.405 88.564 76.840 32 1HH1 ARG 8 2HH1 ARG 8 55.882 85.993 77.268 33 2HH1 ARG 8 1HH1 ARG 8 56.389 85.547 78.863 34 1HH2 ARG 8 1HH2 ARG 8 57.630 88.691 79.636 35 2HH2 ARG 8 2HH2 ARG 8 57.379 87.074 80.203 36 H VAL 9 H VAL 9 54.313 94.557 77.914 37 HA VAL 9 HA VAL 9 51.426 94.966 77.337 38 HB VAL 9 HB VAL 9 53.097 96.720 79.178 39 1HG1 VAL 9 1HG1 VAL 9 50.452 97.051 77.829 40 2HG1 VAL 9 2HG1 VAL 9 51.673 98.262 78.214 41 3HG1 VAL 9 3HG1 VAL 9 50.608 97.649 79.479 42 1HG2 VAL 9 1HG2 VAL 9 51.244 96.062 80.820 43 2HG2 VAL 9 2HG2 VAL 9 52.408 94.799 80.421 44 3HG2 VAL 9 3HG2 VAL 9 50.812 94.797 79.670 45 H GLU 10 H GLU 10 51.547 95.555 75.226 46 HA GLU 10 HA GLU 10 53.753 97.373 74.271 47 1HB GLU 10 1HB GLU 10 53.479 95.094 73.260 48 2HB GLU 10 2HB GLU 10 51.829 95.530 72.818 49 1HG GLU 10 1HG GLU 10 52.683 97.414 71.470 50 2HG GLU 10 2HG GLU 10 54.334 96.979 71.908 51 H VAL 11 H VAL 11 53.216 99.387 73.798 52 HA VAL 11 HA VAL 11 50.320 100.062 73.398 53 HB VAL 11 HB VAL 11 52.605 101.699 74.554 54 1HG1 VAL 11 1HG1 VAL 11 49.790 102.316 73.792 55 2HG1 VAL 11 2HG1 VAL 11 51.206 103.367 73.810 56 3HG1 VAL 11 3HG1 VAL 11 50.369 102.992 75.315 57 1HG2 VAL 11 1HG2 VAL 11 52.107 100.218 76.272 58 2HG2 VAL 11 2HG2 VAL 11 50.442 99.995 75.737 59 3HG2 VAL 11 3HG2 VAL 11 50.903 101.467 76.590 60 H GLU 12 H GLU 12 49.812 101.275 71.551 61 HA GLU 12 HA GLU 12 52.093 102.071 69.761 62 1HB GLU 12 1HB GLU 12 50.781 100.087 69.033 63 2HB GLU 12 2HB GLU 12 49.309 101.055 69.098 64 1HG GLU 12 1HG GLU 12 50.241 102.593 67.405 65 2HG GLU 12 2HG GLU 12 51.712 101.625 67.337 66 H VAL 13 H VAL 13 52.033 104.162 69.019 67 HA VAL 13 HA VAL 13 49.562 105.796 69.530 68 HB VAL 13 HB VAL 13 52.483 106.543 69.920 69 1HG1 VAL 13 1HG1 VAL 13 49.892 108.059 70.168 70 2HG1 VAL 13 2HG1 VAL 13 51.386 108.547 69.366 71 3HG1 VAL 13 3HG1 VAL 13 51.297 108.523 71.127 72 1HG2 VAL 13 1HG2 VAL 13 52.003 105.190 71.764 73 2HG2 VAL 13 2HG2 VAL 13 50.301 105.648 71.784 74 3HG2 VAL 13 3HG2 VAL 13 51.526 106.778 72.363 75 H SER 14 H SER 14 48.923 107.065 67.844 76 HA SER 14 HA SER 14 50.778 107.285 65.499 77 1HB SER 14 1HB SER 14 48.731 107.033 64.116 78 2HB SER 14 2HB SER 14 48.967 105.645 65.175 79 HG SER 14 HG SER 14 47.040 107.647 65.221 80 HA PRO 15 HA PRO 15 49.566 111.566 66.432 81 1HB PRO 15 1HB PRO 15 51.854 112.748 65.556 82 2HB PRO 15 2HB PRO 15 51.717 112.018 67.168 83 1HG PRO 15 1HG PRO 15 52.985 110.941 64.705 84 2HG PRO 15 2HG PRO 15 53.509 110.823 66.392 85 1HD PRO 15 1HD PRO 15 52.272 108.797 65.058 86 2HD PRO 15 2HD PRO 15 52.179 109.017 66.818 87 H ARG 16 H ARG 16 49.282 113.459 65.042 88 HA ARG 16 HA ARG 16 49.605 113.161 62.123 89 1HB ARG 16 1HB ARG 16 47.145 113.310 61.751 90 2HB ARG 16 2HB ARG 16 47.592 111.832 62.602 91 1HG ARG 16 1HG ARG 16 47.000 112.888 64.752 92 2HG ARG 16 2HG ARG 16 46.548 114.365 63.904 93 1HD ARG 16 1HD ARG 16 44.777 113.179 62.697 94 2HD ARG 16 2HD ARG 16 45.261 111.648 63.455 95 HE ARG 16 HE ARG 16 44.268 114.002 65.022 96 1HH1 ARG 16 2HH1 ARG 16 42.800 111.334 64.106 97 2HH1 ARG 16 1HH1 ARG 16 42.725 110.533 65.640 98 1HH2 ARG 16 1HH2 ARG 16 44.987 112.672 67.166 99 2HH2 ARG 16 2HH2 ARG 16 43.964 111.290 67.372 100 H PHE 17 H PHE 17 49.892 115.130 61.258 101 HA PHE 17 HA PHE 17 50.124 117.507 62.787 102 1HB PHE 17 1HB PHE 17 51.184 116.981 60.599 103 2HB PHE 17 2HB PHE 17 49.615 117.171 59.817 104 HD1 PHE 17 HD1 PHE 17 52.033 118.983 62.025 105 HD2 PHE 17 HD2 PHE 17 48.923 119.294 59.081 106 HE1 PHE 17 HE1 PHE 17 52.413 121.429 61.885 107 HE2 PHE 17 HE2 PHE 17 49.304 121.741 58.941 108 HZ PHE 17 HZ PHE 17 51.046 122.809 60.343 109 H LEU 18 H LEU 18 48.690 119.151 63.275 110 HA LEU 18 HA LEU 18 45.859 118.912 62.269 111 1HB LEU 18 1HB LEU 18 46.685 118.593 64.803 112 2HB LEU 18 2HB LEU 18 46.597 120.354 64.786 113 HG LEU 18 HG LEU 18 44.256 120.180 63.917 114 1HD1 LEU 18 1HD1 LEU 18 44.138 118.072 62.876 115 2HD1 LEU 18 2HD1 LEU 18 43.229 117.830 64.368 116 3HD1 LEU 18 3HD1 LEU 18 44.891 117.252 64.243 117 1HD2 LEU 18 1HD2 LEU 18 44.461 118.560 66.448 118 2HD2 LEU 18 2HD2 LEU 18 43.320 119.843 66.046 119 3HD2 LEU 18 3HD2 LEU 18 44.995 120.241 66.425 120 H ALA 19 H ALA 19 46.573 120.187 60.445 121 HA ALA 19 HA ALA 19 47.507 122.947 60.631 122 1HB ALA 19 1HB ALA 19 45.863 121.879 58.381 123 2HB ALA 19 2HB ALA 19 47.409 121.100 58.721 124 3HB ALA 19 3HB ALA 19 47.354 122.820 58.337 125 H HIS 20 H HIS 20 44.266 121.453 60.437 126 HA HIS 20 HA HIS 20 42.862 123.920 59.970 127 1HB HIS 20 1HB HIS 20 42.063 121.564 59.549 128 2HB HIS 20 2HB HIS 20 41.867 121.376 61.291 129 HD1 HIS 20 HD1 HIS 20 40.812 124.004 58.717 130 HD2 HIS 20 HD2 HIS 20 39.278 121.963 62.012 131 HE1 HIS 20 HE1 HIS 20 38.432 124.817 59.019 132 H GLN 21 H GLN 21 44.078 122.430 62.901 133 HA GLN 21 HA GLN 21 42.705 124.574 64.495 134 1HB GLN 21 1HB GLN 21 42.048 122.138 64.836 135 2HB GLN 21 2HB GLN 21 43.680 121.870 65.449 136 1HG GLN 21 1HG GLN 21 43.347 123.428 67.253 137 2HG GLN 21 2HG GLN 21 41.817 123.976 66.569 138 1HE2 GLN 21 1HE2 GLN 21 42.091 122.835 69.243 139 2HE2 GLN 21 2HE2 GLN 21 41.196 121.392 69.268 140 H SER 22 H SER 22 45.170 125.158 63.241 141 HA SER 22 HA SER 22 46.818 125.793 65.571 142 1HB SER 22 1HB SER 22 48.661 124.376 65.056 143 2HB SER 22 2HB SER 22 47.240 123.345 64.928 144 HG SER 22 HG SER 22 49.049 123.790 63.096 145 H THR 23 H THR 23 48.413 127.373 65.064 146 HA THR 23 HA THR 23 48.408 128.371 62.235 147 HB THR 23 HB THR 23 47.134 129.828 63.763 148 HG1 THR 23 HG1 THR 23 48.134 131.652 63.146 149 1HG2 THR 23 1HG2 THR 23 48.605 129.094 65.802 150 2HG2 THR 23 2HG2 THR 23 47.973 130.733 65.748 151 3HG2 THR 23 3HG2 THR 23 49.647 130.421 65.302 152 HA PRO 24 HA PRO 24 52.653 127.110 63.285 153 1HB PRO 24 1HB PRO 24 53.497 126.787 60.707 154 2HB PRO 24 2HB PRO 24 52.616 125.535 61.605 155 1HG PRO 24 1HG PRO 24 51.607 127.471 59.584 156 2HG PRO 24 2HG PRO 24 51.212 125.758 59.804 157 1HD PRO 24 1HD PRO 24 49.596 127.762 60.645 158 2HD PRO 24 2HD PRO 24 49.686 126.183 61.456 159 H ASP 25 H ASP 25 51.463 129.640 61.156 160 HA ASP 25 HA ASP 25 53.965 130.896 60.566 161 1HB ASP 25 1HB ASP 25 51.717 131.255 59.458 162 2HB ASP 25 2HB ASP 25 51.237 132.191 60.874 163 H GLU 26 H GLU 26 52.019 130.910 63.467 164 HA GLU 26 HA GLU 26 53.625 133.184 64.568 165 1HB GLU 26 1HB GLU 26 51.022 131.847 65.342 166 2HB GLU 26 2HB GLU 26 51.798 133.078 66.338 167 1HG GLU 26 1HG GLU 26 51.721 134.661 64.446 168 2HG GLU 26 2HG GLU 26 50.941 133.434 63.450 169 H GLY 27 H GLY 27 54.446 130.221 64.275 170 1HA GLY 27 1HA GLY 27 55.783 128.762 65.538 171 2HA GLY 27 2HA GLY 27 55.812 129.989 66.804 172 H ARG 28 H ARG 28 52.807 128.723 65.540 173 HA ARG 28 HA ARG 28 52.368 127.274 68.133 174 1HB ARG 28 1HB ARG 28 50.596 129.024 66.421 175 2HB ARG 28 2HB ARG 28 49.937 127.968 67.672 176 1HG ARG 28 1HG ARG 28 51.366 129.071 69.356 177 2HG ARG 28 2HG ARG 28 52.018 130.131 68.107 178 1HD ARG 28 1HD ARG 28 49.756 131.042 67.685 179 2HD ARG 28 2HD ARG 28 49.100 129.983 68.947 180 HE ARG 28 HE ARG 28 51.281 131.385 70.093 181 1HH1 ARG 28 2HH1 ARG 28 49.545 133.252 68.155 182 2HH1 ARG 28 1HH1 ARG 28 48.643 134.103 69.365 183 1HH2 ARG 28 1HH2 ARG 28 49.528 131.937 71.925 184 2HH2 ARG 28 2HH2 ARG 28 48.634 133.358 71.500 185 H TYR 29 H TYR 29 52.901 125.189 67.275 186 HA TYR 29 HA TYR 29 51.274 124.222 64.949 187 1HB TYR 29 1HB TYR 29 53.697 123.020 66.343 188 2HB TYR 29 2HB TYR 29 52.985 122.472 64.828 189 HD1 TYR 29 HD1 TYR 29 54.818 125.253 66.461 190 HD2 TYR 29 HD2 TYR 29 53.460 123.575 62.748 191 HE1 TYR 29 HE1 TYR 29 56.248 126.851 65.217 192 HE2 TYR 29 HE2 TYR 29 54.890 125.175 61.504 193 HH TYR 29 HH TYR 29 55.882 127.595 62.093 194 H ALA 30 H ALA 30 49.688 122.712 65.344 195 HA ALA 30 HA ALA 30 49.518 121.644 68.134 196 1HB ALA 30 1HB ALA 30 47.783 123.266 66.895 197 2HB ALA 30 2HB ALA 30 47.242 122.046 68.048 198 3HB ALA 30 3HB ALA 30 47.149 121.726 66.317 199 H PHE 31 H PHE 31 49.931 119.480 68.270 200 HA PHE 31 HA PHE 31 49.336 117.737 65.897 201 1HB PHE 31 1HB PHE 31 51.381 117.594 68.133 202 2HB PHE 31 2HB PHE 31 51.105 116.277 66.996 203 HD1 PHE 31 HD1 PHE 31 52.235 119.791 67.329 204 HD2 PHE 31 HD2 PHE 31 51.895 116.388 64.731 205 HE1 PHE 31 HE1 PHE 31 53.745 120.885 65.698 206 HE2 PHE 31 HE2 PHE 31 53.402 117.486 63.096 207 HZ PHE 31 HZ PHE 31 54.328 119.735 63.579 208 H ALA 32 H ALA 32 47.871 116.035 66.260 209 HA ALA 32 HA ALA 32 46.951 115.602 69.081 210 1HB ALA 32 1HB ALA 32 45.505 114.923 66.509 211 2HB ALA 32 2HB ALA 32 45.413 116.535 67.220 212 3HB ALA 32 3HB ALA 32 44.815 115.140 68.117 213 H TYR 33 H TYR 33 47.338 113.530 69.889 214 HA TYR 33 HA TYR 33 48.047 111.425 67.873 215 1HB TYR 33 1HB TYR 33 49.877 110.742 69.295 216 2HB TYR 33 2HB TYR 33 49.998 112.475 69.034 217 HD1 TYR 33 HD1 TYR 33 49.823 109.860 71.460 218 HD2 TYR 33 HD2 TYR 33 48.989 114.027 70.862 219 HE1 TYR 33 HE1 TYR 33 49.840 110.212 73.913 220 HE2 TYR 33 HE2 TYR 33 48.995 114.376 73.317 221 HH TYR 33 HH TYR 33 50.249 112.136 75.484 222 H SER 34 H SER 34 47.329 109.323 68.308 223 HA SER 34 HA SER 34 45.314 109.075 70.504 224 1HB SER 34 1HB SER 34 45.811 107.540 67.934 225 2HB SER 34 2HB SER 34 44.510 107.189 69.068 226 HG SER 34 HG SER 34 43.506 108.992 68.490 227 H ILE 35 H ILE 35 45.568 107.502 72.068 228 HA ILE 35 HA ILE 35 48.148 105.953 72.097 229 HB ILE 35 HB ILE 35 46.190 106.853 74.226 230 1HG1 ILE 35 1HG1 ILE 35 47.495 108.684 73.197 231 2HG1 ILE 35 2HG1 ILE 35 48.006 108.404 74.858 232 1HG2 ILE 35 1HG2 ILE 35 48.640 105.125 74.302 233 2HG2 ILE 35 2HG2 ILE 35 47.145 104.988 75.229 234 3HG2 ILE 35 3HG2 ILE 35 48.335 106.219 75.652 235 1HD1 ILE 35 1HD1 ILE 35 49.532 108.128 72.378 236 2HD1 ILE 35 2HD1 ILE 35 49.633 106.689 73.388 237 3HD1 ILE 35 3HD1 ILE 35 50.111 108.255 74.038 238 H ARG 36 H ARG 36 48.083 103.800 71.987 239 HA ARG 36 HA ARG 36 45.481 102.366 72.448 240 1HB ARG 36 1HB ARG 36 47.672 102.068 70.388 241 2HB ARG 36 2HB ARG 36 46.542 100.755 70.715 242 1HG ARG 36 1HG ARG 36 45.362 101.831 69.054 243 2HG ARG 36 2HG ARG 36 44.763 102.736 70.445 244 1HD ARG 36 1HD ARG 36 46.076 104.610 69.960 245 2HD ARG 36 2HD ARG 36 47.265 103.661 69.047 246 HE ARG 36 HE ARG 36 44.643 104.574 68.032 247 1HH1 ARG 36 2HH1 ARG 36 47.096 104.991 66.448 248 2HH1 ARG 36 1HH1 ARG 36 47.042 103.696 65.299 249 1HH2 ARG 36 1HH2 ARG 36 44.708 101.855 67.084 250 2HH2 ARG 36 2HH2 ARG 36 45.690 101.920 65.659 251 H ILE 37 H ILE 37 45.912 101.678 74.556 252 HA ILE 37 HA ILE 37 48.494 100.393 75.265 253 HB ILE 37 HB ILE 37 45.933 100.896 76.817 254 1HG1 ILE 37 1HG1 ILE 37 48.529 102.464 76.878 255 2HG1 ILE 37 2HG1 ILE 37 47.141 102.942 75.898 256 1HG2 ILE 37 1HG2 ILE 37 47.583 99.112 77.644 257 2HG2 ILE 37 2HG2 ILE 37 47.201 100.409 78.776 258 3HG2 ILE 37 3HG2 ILE 37 48.724 100.434 77.888 259 1HD1 ILE 37 1HD1 ILE 37 46.923 104.153 77.942 260 2HD1 ILE 37 2HD1 ILE 37 47.298 102.727 78.910 261 3HD1 ILE 37 3HD1 ILE 37 45.763 102.831 78.049 262 H GLN 38 H GLN 38 48.748 98.251 74.798 263 HA GLN 38 HA GLN 38 46.348 96.446 74.978 264 1HB GLN 38 1HB GLN 38 47.273 96.768 72.689 265 2HB GLN 38 2HB GLN 38 48.857 96.254 73.267 266 1HG GLN 38 1HG GLN 38 47.921 94.055 73.887 267 2HG GLN 38 2HG GLN 38 46.336 94.566 73.305 268 1HE2 GLN 38 1HE2 GLN 38 46.007 93.480 71.350 269 2HE2 GLN 38 2HE2 GLN 38 47.142 93.389 70.091 270 H ASN 39 H ASN 39 46.497 94.805 76.394 271 HA ASN 39 HA ASN 39 48.989 94.558 77.973 272 1HB ASN 39 1HB ASN 39 46.728 94.887 79.015 273 2HB ASN 39 2HB ASN 39 46.252 93.309 78.390 274 1HD2 ASN 39 1HD2 ASN 39 47.779 91.436 79.095 275 2HD2 ASN 39 2HD2 ASN 39 48.404 91.510 80.671 276 H ALA 40 H ALA 40 50.430 92.969 77.343 277 HA ALA 40 HA ALA 40 49.337 90.478 76.065 278 1HB ALA 40 1HB ALA 40 52.084 91.744 75.807 279 2HB ALA 40 2HB ALA 40 50.763 92.032 74.674 280 3HB ALA 40 3HB ALA 40 51.442 90.413 74.845 281 H GLY 41 H GLY 41 50.141 91.363 79.028 282 1HA GLY 41 1HA GLY 41 52.230 89.403 79.651 283 2HA GLY 41 2HA GLY 41 51.349 90.389 80.820 284 H ALA 42 H ALA 42 51.506 88.000 81.778 285 HA ALA 42 HA ALA 42 49.308 86.284 80.781 286 1HB ALA 42 1HB ALA 42 50.481 84.590 81.811 287 2HB ALA 42 2HB ALA 42 50.928 85.604 83.183 288 3HB ALA 42 3HB ALA 42 51.802 85.748 81.657 289 H VAL 43 H VAL 43 50.244 88.240 83.535 290 HA VAL 43 HA VAL 43 47.665 87.633 84.925 291 HB VAL 43 HB VAL 43 50.278 88.925 85.808 292 1HG1 VAL 43 1HG1 VAL 43 49.415 88.937 88.046 293 2HG1 VAL 43 2HG1 VAL 43 47.975 88.040 87.561 294 3HG1 VAL 43 3HG1 VAL 43 48.196 89.708 87.032 295 1HG2 VAL 43 1HG2 VAL 43 49.063 86.206 86.387 296 2HG2 VAL 43 2HG2 VAL 43 50.552 86.825 87.103 297 3HG2 VAL 43 3HG2 VAL 43 50.469 86.517 85.369 298 HA PRO 44 HA PRO 44 45.953 91.461 83.599 299 1HB PRO 44 1HB PRO 44 44.542 92.207 85.833 300 2HB PRO 44 2HB PRO 44 43.978 90.979 84.678 301 1HG PRO 44 1HG PRO 44 45.404 90.605 87.279 302 2HG PRO 44 2HG PRO 44 43.978 89.759 86.647 303 1HD PRO 44 1HD PRO 44 46.374 88.628 86.515 304 2HD PRO 44 2HD PRO 44 45.230 88.476 85.166 305 H ALA 45 H ALA 45 46.574 93.593 83.679 306 HA ALA 45 HA ALA 45 48.170 94.574 86.023 307 1HB ALA 45 1HB ALA 45 49.571 93.559 84.180 308 2HB ALA 45 2HB ALA 45 49.928 95.252 84.520 309 3HB ALA 45 3HB ALA 45 48.960 94.821 83.110 310 H ARG 46 H ARG 46 48.183 96.839 86.235 311 HA ARG 46 HA ARG 46 46.304 98.360 84.457 312 1HB ARG 46 1HB ARG 46 45.559 99.508 86.535 313 2HB ARG 46 2HB ARG 46 45.285 97.769 86.626 314 1HG ARG 46 1HG ARG 46 47.365 97.497 87.919 315 2HG ARG 46 2HG ARG 46 47.654 99.235 87.826 316 1HD ARG 46 1HD ARG 46 45.482 99.624 89.008 317 2HD ARG 46 2HD ARG 46 45.310 97.867 89.193 318 HE ARG 46 HE ARG 46 47.510 99.491 90.401 319 1HH1 ARG 46 2HH1 ARG 46 47.827 96.468 89.655 320 2HH1 ARG 46 1HH1 ARG 46 47.571 95.756 91.212 321 1HH2 ARG 46 1HH2 ARG 46 46.241 98.638 92.608 322 2HH2 ARG 46 2HH2 ARG 46 46.673 96.984 92.885 323 H LEU 47 H LEU 47 46.813 100.685 84.324 324 HA LEU 47 HA LEU 47 49.736 101.201 84.622 325 1HB LEU 47 1HB LEU 47 48.305 101.497 82.485 326 2HB LEU 47 2HB LEU 47 47.632 102.918 83.283 327 HG LEU 47 HG LEU 47 50.614 102.546 83.069 328 1HD1 LEU 47 1HD1 LEU 47 48.687 103.590 80.990 329 2HD1 LEU 47 2HD1 LEU 47 49.979 102.407 80.784 330 3HD1 LEU 47 3HD1 LEU 47 50.371 104.108 81.035 331 1HD2 LEU 47 1HD2 LEU 47 50.181 104.339 84.479 332 2HD2 LEU 47 2HD2 LEU 47 48.673 104.748 83.664 333 3HD2 LEU 47 3HD2 LEU 47 50.217 105.166 82.922 334 H VAL 48 H VAL 48 50.333 102.243 86.491 335 HA VAL 48 HA VAL 48 48.312 103.880 87.938 336 HB VAL 48 HB VAL 48 51.033 102.791 88.734 337 1HG1 VAL 48 1HG1 VAL 48 48.819 103.960 90.451 338 2HG1 VAL 48 2HG1 VAL 48 50.299 104.814 90.011 339 3HG1 VAL 48 3HG1 VAL 48 50.382 103.366 91.014 340 1HG2 VAL 48 1HG2 VAL 48 49.167 101.121 88.234 341 2HG2 VAL 48 2HG2 VAL 48 48.285 101.839 89.582 342 3HG2 VAL 48 3HG2 VAL 48 49.834 101.046 89.865 343 H ALA 49 H ALA 49 51.452 104.203 86.309 344 HA ALA 49 HA ALA 49 51.212 107.152 86.736 345 1HB ALA 49 1HB ALA 49 52.842 106.857 88.292 346 2HB ALA 49 2HB ALA 49 53.918 106.713 86.903 347 3HB ALA 49 3HB ALA 49 53.269 105.263 87.669 348 H ARG 50 H ARG 50 52.623 108.410 85.265 349 HA ARG 50 HA ARG 50 53.469 107.043 82.726 350 1HB ARG 50 1HB ARG 50 52.128 108.641 81.461 351 2HB ARG 50 2HB ARG 50 51.091 107.754 82.572 352 1HG ARG 50 1HG ARG 50 51.466 109.714 84.207 353 2HG ARG 50 2HG ARG 50 52.089 110.594 82.812 354 1HD ARG 50 1HD ARG 50 49.804 109.662 81.722 355 2HD ARG 50 2HD ARG 50 49.294 109.760 83.419 356 HE ARG 50 HE ARG 50 50.131 112.145 83.380 357 1HH1 ARG 50 2HH1 ARG 50 51.383 111.683 80.582 358 2HH1 ARG 50 1HH1 ARG 50 50.271 112.575 79.597 359 1HH2 ARG 50 1HH2 ARG 50 47.841 112.781 82.062 360 2HH2 ARG 50 2HH2 ARG 50 48.266 113.197 80.436 361 H HIS 51 H HIS 51 55.206 107.978 81.786 362 HA HIS 51 HA HIS 51 56.106 110.694 82.644 363 1HB HIS 51 1HB HIS 51 57.142 109.002 84.134 364 2HB HIS 51 2HB HIS 51 57.742 108.129 82.725 365 HD1 HIS 51 HD1 HIS 51 60.208 108.578 83.583 366 HD2 HIS 51 HD2 HIS 51 58.064 112.007 82.574 367 HE1 HIS 51 HE1 HIS 51 61.900 110.455 83.405 368 H TRP 52 H TRP 52 56.215 111.736 80.708 369 HA TRP 52 HA TRP 52 57.025 110.258 78.243 370 1HB TRP 52 1HB TRP 52 55.704 112.901 78.890 371 2HB TRP 52 2HB TRP 52 56.209 112.481 77.255 372 HD1 TRP 52 HD1 TRP 52 53.393 112.120 79.592 373 HE1 TRP 52 HE1 TRP 52 51.667 110.434 78.687 374 HE3 TRP 52 HE3 TRP 52 56.122 109.995 75.834 375 HZ2 TRP 52 HZ2 TRP 52 51.468 108.452 76.640 376 HZ3 TRP 52 HZ3 TRP 52 55.139 108.210 74.423 377 HH2 TRP 52 HH2 TRP 52 52.817 107.435 74.822 378 H GLN 53 H GLN 53 58.983 110.645 77.285 379 HA GLN 53 HA GLN 53 60.682 112.883 78.347 380 1HB GLN 53 1HB GLN 53 61.406 110.554 78.840 381 2HB GLN 53 2HB GLN 53 61.435 110.214 77.109 382 1HG GLN 53 1HG GLN 53 63.177 111.853 76.750 383 2HG GLN 53 2HG GLN 53 63.059 112.411 78.418 384 1HE2 GLN 53 1HE2 GLN 53 65.509 111.360 77.258 385 2HE2 GLN 53 2HE2 GLN 53 65.892 109.928 78.082 386 H ILE 54 H ILE 54 59.509 114.212 76.612 387 HA ILE 54 HA ILE 54 60.108 113.538 73.802 388 HB ILE 54 HB ILE 54 58.664 115.401 73.318 389 1HG1 ILE 54 1HG1 ILE 54 58.695 116.098 76.269 390 2HG1 ILE 54 2HG1 ILE 54 59.614 116.965 75.043 391 1HG2 ILE 54 1HG2 ILE 54 56.643 114.736 74.479 392 2HG2 ILE 54 2HG2 ILE 54 57.583 114.014 75.784 393 3HG2 ILE 54 3HG2 ILE 54 57.618 113.298 74.172 394 1HD1 ILE 54 1HD1 ILE 54 57.481 117.405 73.817 395 2HD1 ILE 54 2HD1 ILE 54 57.532 118.150 75.415 396 3HD1 ILE 54 3HD1 ILE 54 56.605 116.671 75.159 397 H THR 55 H THR 55 61.788 114.302 72.653 398 HA THR 55 HA THR 55 63.354 116.631 73.725 399 HB THR 55 HB THR 55 64.429 114.355 72.022 400 HG1 THR 55 HG1 THR 55 63.661 113.403 73.884 401 1HG2 THR 55 1HG2 THR 55 66.493 115.153 73.523 402 2HG2 THR 55 2HG2 THR 55 65.551 116.643 73.575 403 3HG2 THR 55 3HG2 THR 55 66.063 115.978 72.024 404 H ASP 56 H ASP 56 63.581 118.308 72.365 405 HA ASP 56 HA ASP 56 62.207 118.136 69.785 406 1HB ASP 56 1HB ASP 56 61.996 119.986 71.525 407 2HB ASP 56 2HB ASP 56 63.614 120.501 71.048 408 H GLY 57 H GLY 57 63.258 119.283 67.885 409 1HA GLY 57 1HA GLY 57 65.635 117.957 67.088 410 2HA GLY 57 2HA GLY 57 64.925 119.331 66.251 411 H ASN 58 H ASN 58 65.446 120.617 69.232 412 HA ASN 58 HA ASN 58 68.138 121.604 68.419 413 1HB ASN 58 1HB ASN 58 65.956 122.645 70.254 414 2HB ASN 58 2HB ASN 58 67.531 123.424 70.099 415 1HD2 ASN 58 1HD2 ASN 58 64.492 123.860 69.036 416 2HD2 ASN 58 2HD2 ASN 58 64.783 124.446 67.470 417 H GLY 59 H GLY 59 67.060 119.145 70.246 418 1HA GLY 59 1HA GLY 59 68.460 117.845 71.699 419 2HA GLY 59 2HA GLY 59 69.410 119.290 72.035 420 H ARG 60 H ARG 60 66.942 120.899 72.606 421 HA ARG 60 HA ARG 60 66.805 120.471 75.440 422 1HB ARG 60 1HB ARG 60 65.670 122.213 73.378 423 2HB ARG 60 2HB ARG 60 64.507 121.875 74.657 424 1HG ARG 60 1HG ARG 60 65.539 123.491 75.851 425 2HG ARG 60 2HG ARG 60 66.872 122.356 76.052 426 1HD ARG 60 1HD ARG 60 67.685 124.519 75.150 427 2HD ARG 60 2HD ARG 60 67.901 123.229 73.951 428 HE ARG 60 HE ARG 60 65.360 124.187 73.413 429 1HH1 ARG 60 2HH1 ARG 60 67.966 124.598 71.768 430 2HH1 ARG 60 1HH1 ARG 60 67.902 126.312 71.526 431 1HH2 ARG 60 1HH2 ARG 60 65.493 126.834 73.966 432 2HH2 ARG 60 2HH2 ARG 60 66.502 127.579 72.770 433 H THR 61 H THR 61 65.280 119.347 76.694 434 HA THR 61 HA THR 61 63.135 117.892 75.212 435 HB THR 61 HB THR 61 65.072 116.421 75.553 436 HG1 THR 61 HG1 THR 61 63.406 115.146 75.794 437 1HG2 THR 61 1HG2 THR 61 66.058 117.609 77.473 438 2HG2 THR 61 2HG2 THR 61 65.851 115.894 77.834 439 3HG2 THR 61 3HG2 THR 61 64.721 117.078 78.492 440 H GLU 62 H GLU 62 61.260 117.373 76.511 441 HA GLU 62 HA GLU 62 61.112 118.857 79.116 442 1HB GLU 62 1HB GLU 62 59.914 119.913 77.214 443 2HB GLU 62 2HB GLU 62 59.001 118.423 76.976 444 1HG GLU 62 1HG GLU 62 58.074 118.623 79.256 445 2HG GLU 62 2HG GLU 62 58.984 120.113 79.495 446 H GLN 63 H GLN 63 60.664 117.540 80.809 447 HA GLN 63 HA GLN 63 59.601 114.788 80.311 448 1HB GLN 63 1HB GLN 63 61.061 116.166 82.577 449 2HB GLN 63 2HB GLN 63 60.458 114.511 82.682 450 1HG GLN 63 1HG GLN 63 61.807 113.889 80.712 451 2HG GLN 63 2HG GLN 63 62.414 115.542 80.606 452 1HE2 GLN 63 1HE2 GLN 63 63.739 112.806 81.336 453 2HE2 GLN 63 2HE2 GLN 63 64.591 113.158 82.761 454 H VAL 64 H VAL 64 57.570 114.247 81.034 455 HA VAL 64 HA VAL 64 56.183 116.125 82.921 456 HB VAL 64 HB VAL 64 55.086 114.673 80.483 457 1HG1 VAL 64 1HG1 VAL 64 53.108 116.262 80.987 458 2HG1 VAL 64 2HG1 VAL 64 53.815 116.416 82.596 459 3HG1 VAL 64 3HG1 VAL 64 53.287 114.838 82.012 460 1HG2 VAL 64 1HG2 VAL 64 56.544 116.596 79.931 461 2HG2 VAL 64 2HG2 VAL 64 55.586 117.624 80.996 462 3HG2 VAL 64 3HG2 VAL 64 54.861 116.944 79.541 463 H ASP 65 H ASP 65 55.281 115.152 84.653 464 HA ASP 65 HA ASP 65 54.984 112.161 84.646 465 1HB ASP 65 1HB ASP 65 56.943 113.141 85.908 466 2HB ASP 65 2HB ASP 65 55.781 113.973 86.942 467 H GLY 66 H GLY 66 52.921 111.519 85.098 468 1HA GLY 66 1HA GLY 66 51.228 113.179 86.882 469 2HA GLY 66 2HA GLY 66 50.598 112.791 85.278 470 H GLU 67 H GLU 67 48.934 111.730 86.939 471 HA GLU 67 HA GLU 67 49.659 109.303 88.291 472 1HB GLU 67 1HB GLU 67 47.028 110.284 87.121 473 2HB GLU 67 2HB GLU 67 47.185 108.990 88.310 474 1HG GLU 67 1HG GLU 67 48.225 110.563 89.897 475 2HG GLU 67 2HG GLU 67 48.065 111.863 88.717 476 H GLY 68 H GLY 68 47.707 107.479 87.213 477 1HA GLY 68 1HA GLY 68 49.179 105.987 85.368 478 2HA GLY 68 2HA GLY 68 47.433 105.850 85.546 479 H VAL 69 H VAL 69 46.078 107.022 84.090 480 HA VAL 69 HA VAL 69 47.437 108.508 81.878 481 HB VAL 69 HB VAL 69 46.054 107.189 80.262 482 1HG1 VAL 69 1HG1 VAL 69 47.835 105.463 81.997 483 2HG1 VAL 69 2HG1 VAL 69 48.428 106.621 80.808 484 3HG1 VAL 69 3HG1 VAL 69 47.477 105.231 80.286 485 1HG2 VAL 69 1HG2 VAL 69 45.269 105.769 82.801 486 2HG2 VAL 69 2HG2 VAL 69 45.286 104.904 81.268 487 3HG2 VAL 69 3HG2 VAL 69 44.247 106.313 81.472 488 H VAL 70 H VAL 70 46.395 110.327 81.438 489 HA VAL 70 HA VAL 70 44.866 112.082 81.713 490 HB VAL 70 HB VAL 70 42.830 111.629 80.457 491 1HG1 VAL 70 1HG1 VAL 70 44.606 109.730 79.054 492 2HG1 VAL 70 2HG1 VAL 70 45.350 111.266 79.498 493 3HG1 VAL 70 3HG1 VAL 70 43.901 111.247 78.494 494 1HG2 VAL 70 1HG2 VAL 70 43.476 108.676 80.672 495 2HG2 VAL 70 2HG2 VAL 70 42.047 109.412 79.948 496 3HG2 VAL 70 3HG2 VAL 70 42.290 109.492 81.691 497 H GLY 71 H GLY 71 45.208 110.589 84.181 498 1HA GLY 71 1HA GLY 71 44.276 110.940 86.325 499 2HA GLY 71 2HA GLY 71 42.827 111.576 85.563 500 H GLU 72 H GLU 72 43.936 108.405 84.552 501 HA GLU 72 HA GLU 72 41.974 107.135 86.425 502 1HB GLU 72 1HB GLU 72 40.949 105.937 84.521 503 2HB GLU 72 2HB GLU 72 40.801 107.683 84.335 504 1HG GLU 72 1HG GLU 72 42.212 107.747 82.541 505 2HG GLU 72 2HG GLU 72 43.231 106.451 83.158 506 H GLN 73 H GLN 73 42.341 104.917 86.835 507 HA GLN 73 HA GLN 73 45.022 103.872 85.971 508 1HB GLN 73 1HB GLN 73 43.325 103.560 88.464 509 2HB GLN 73 2HB GLN 73 44.764 102.586 88.156 510 1HG GLN 73 1HG GLN 73 46.176 104.528 88.136 511 2HG GLN 73 2HG GLN 73 44.785 105.613 88.138 512 1HE2 GLN 73 1HE2 GLN 73 43.617 105.903 90.160 513 2HE2 GLN 73 2HE2 GLN 73 44.252 105.365 91.640 514 HA PRO 74 HA PRO 74 41.564 101.311 84.113 515 1HB PRO 74 1HB PRO 74 42.974 100.582 81.890 516 2HB PRO 74 2HB PRO 74 42.006 102.068 81.984 517 1HG PRO 74 1HG PRO 74 44.945 101.702 82.280 518 2HG PRO 74 2HG PRO 74 44.043 102.986 81.457 519 1HD PRO 74 1HD PRO 74 45.139 103.293 83.917 520 2HD PRO 74 2HD PRO 74 43.674 104.150 83.393 521 H TRP 75 H TRP 75 41.418 99.104 84.350 522 HA TRP 75 HA TRP 75 43.851 97.631 85.272 523 1HB TRP 75 1HB TRP 75 41.444 97.959 86.444 524 2HB TRP 75 2HB TRP 75 41.078 96.539 85.465 525 HD1 TRP 75 HD1 TRP 75 43.669 97.725 88.068 526 HE1 TRP 75 HE1 TRP 75 44.514 95.663 89.363 527 HE3 TRP 75 HE3 TRP 75 41.224 94.030 85.530 528 HZ2 TRP 75 HZ2 TRP 75 44.193 92.820 89.327 529 HZ3 TRP 75 HZ3 TRP 75 41.510 91.656 86.181 530 HH2 TRP 75 HH2 TRP 75 42.992 91.047 88.075 531 H LEU 76 H LEU 76 44.438 97.514 82.883 532 HA LEU 76 HA LEU 76 42.814 96.201 80.942 533 1HB LEU 76 1HB LEU 76 45.727 96.788 81.323 534 2HB LEU 76 2HB LEU 76 45.223 95.777 79.968 535 HG LEU 76 HG LEU 76 44.091 98.525 80.571 536 1HD1 LEU 76 1HD1 LEU 76 46.545 98.383 79.829 537 2HD1 LEU 76 2HD1 LEU 76 45.475 99.374 78.834 538 3HD1 LEU 76 3HD1 LEU 76 45.928 97.755 78.301 539 1HD2 LEU 76 1HD2 LEU 76 43.659 96.464 78.409 540 2HD2 LEU 76 2HD2 LEU 76 43.372 98.174 78.091 541 3HD2 LEU 76 3HD2 LEU 76 42.454 97.346 79.347 542 H ARG 77 H ARG 77 42.169 94.120 80.885 543 HA ARG 77 HA ARG 77 43.519 92.044 82.498 544 1HB ARG 77 1HB ARG 77 40.960 92.498 81.077 545 2HB ARG 77 2HB ARG 77 41.539 90.832 81.024 546 1HG ARG 77 1HG ARG 77 41.484 90.601 83.358 547 2HG ARG 77 2HG ARG 77 41.518 92.343 83.627 548 1HD ARG 77 1HD ARG 77 39.252 92.446 83.612 549 2HD ARG 77 2HD ARG 77 39.176 91.588 82.060 550 HE ARG 77 HE ARG 77 39.051 89.506 83.248 551 1HH1 ARG 77 1HH2 ARG 77 37.828 91.887 85.092 552 2HH1 ARG 77 2HH2 ARG 77 38.210 91.200 86.636 553 1HH2 ARG 77 2HH1 ARG 77 40.289 88.752 85.327 554 2HH2 ARG 77 1HH1 ARG 77 39.603 89.425 86.769 555 HA PRO 78 HA PRO 78 46.064 90.442 79.298 556 1HB PRO 78 1HB PRO 78 45.488 87.766 79.187 557 2HB PRO 78 2HB PRO 78 46.489 88.490 80.463 558 1HG PRO 78 1HG PRO 78 43.620 87.707 80.528 559 2HG PRO 78 2HG PRO 78 44.868 87.530 81.771 560 1HD PRO 78 1HD PRO 78 42.994 89.489 81.832 561 2HD PRO 78 2HD PRO 78 44.621 89.682 82.519 562 H GLY 79 H GLY 79 45.787 90.655 77.157 563 1HA GLY 79 1HA GLY 79 44.871 90.162 74.998 564 2HA GLY 79 2HA GLY 79 43.501 89.384 75.784 565 H GLU 80 H GLU 80 43.398 92.006 77.541 566 HA GLU 80 HA GLU 80 41.511 93.396 75.733 567 1HB GLU 80 1HB GLU 80 42.286 93.667 78.655 568 2HB GLU 80 2HB GLU 80 41.054 94.663 77.879 569 1HG GLU 80 1HG GLU 80 40.994 91.632 77.952 570 2HG GLU 80 2HG GLU 80 40.104 92.669 79.067 571 H ALA 81 H ALA 81 41.599 95.813 75.623 572 HA ALA 81 HA ALA 81 44.313 96.986 75.956 573 1HB ALA 81 1HB ALA 81 44.379 97.637 73.618 574 2HB ALA 81 2HB ALA 81 42.739 97.043 73.363 575 3HB ALA 81 3HB ALA 81 44.048 95.906 73.686 576 H PHE 82 H PHE 82 44.252 99.301 76.092 577 HA PHE 82 HA PHE 82 41.506 100.492 76.334 578 1HB PHE 82 1HB PHE 82 42.720 100.205 78.469 579 2HB PHE 82 2HB PHE 82 44.091 101.101 77.814 580 HD1 PHE 82 HD1 PHE 82 43.968 103.521 77.455 581 HD2 PHE 82 HD2 PHE 82 40.631 101.334 79.048 582 HE1 PHE 82 HE1 PHE 82 42.898 105.652 78.144 583 HE2 PHE 82 HE2 PHE 82 39.563 103.464 79.736 584 HZ PHE 82 HZ PHE 82 40.697 105.623 79.284 585 H HIS 83 H HIS 83 41.229 102.556 75.297 586 HA HIS 83 HA HIS 83 43.627 103.745 73.979 587 1HB HIS 83 1HB HIS 83 42.353 103.816 71.843 588 2HB HIS 83 2HB HIS 83 42.603 102.164 72.404 589 HD1 HIS 83 HD1 HIS 83 39.938 104.795 72.022 590 HD2 HIS 83 HD2 HIS 83 40.236 100.806 73.195 591 HE1 HIS 83 HE1 HIS 83 37.568 103.915 72.175 592 H TYR 84 H TYR 84 43.540 105.976 73.832 593 HA TYR 84 HA TYR 84 40.973 107.398 74.184 594 1HB TYR 84 1HB TYR 84 41.774 108.599 76.163 595 2HB TYR 84 2HB TYR 84 41.841 106.866 76.465 596 HD1 TYR 84 HD1 TYR 84 43.789 109.930 75.970 597 HD2 TYR 84 HD2 TYR 84 44.008 105.672 76.485 598 HE1 TYR 84 HE1 TYR 84 46.206 110.116 76.489 599 HE2 TYR 84 HE2 TYR 84 46.425 105.857 77.002 600 HH TYR 84 HH TYR 84 47.906 108.584 77.895 601 H THR 85 H THR 85 41.235 109.744 73.699 602 HA THR 85 HA THR 85 43.500 110.192 71.805 603 HB THR 85 HB THR 85 40.867 111.650 72.200 604 HG1 THR 85 HG1 THR 85 40.100 109.990 71.200 605 1HG2 THR 85 1HG2 THR 85 42.951 111.744 70.004 606 2HG2 THR 85 2HG2 THR 85 42.524 113.052 71.107 607 3HG2 THR 85 3HG2 THR 85 41.361 112.501 69.901 608 H SER 86 H SER 86 44.988 111.807 72.171 609 HA SER 86 HA SER 86 44.539 113.606 74.530 610 1HB SER 86 1HB SER 86 46.151 111.960 75.104 611 2HB SER 86 2HB SER 86 46.958 112.099 73.544 612 HG SER 86 HG SER 86 47.371 113.487 75.798 613 H GLY 87 H GLY 87 46.029 115.655 74.316 614 1HA GLY 87 1HA GLY 87 46.592 116.355 71.478 615 2HA GLY 87 2HA GLY 87 45.556 117.423 72.421 616 H VAL 88 H VAL 88 48.583 117.227 71.323 617 HA VAL 88 HA VAL 88 49.735 118.705 73.673 618 HB VAL 88 HB VAL 88 50.992 116.606 71.866 619 1HG1 VAL 88 1HG1 VAL 88 52.223 118.484 73.896 620 2HG1 VAL 88 2HG1 VAL 88 52.710 118.228 72.221 621 3HG1 VAL 88 3HG1 VAL 88 52.998 116.971 73.425 622 1HG2 VAL 88 1HG2 VAL 88 50.920 115.185 73.680 623 2HG2 VAL 88 2HG2 VAL 88 49.502 116.163 74.051 624 3HG2 VAL 88 3HG2 VAL 88 51.037 116.501 74.848 625 H LEU 89 H LEU 89 51.191 120.408 73.079 626 HA LEU 89 HA LEU 89 50.881 121.333 70.248 627 1HB LEU 89 1HB LEU 89 49.930 122.628 72.221 628 2HB LEU 89 2HB LEU 89 51.592 122.922 72.728 629 HG LEU 89 HG LEU 89 50.770 123.562 69.911 630 1HD1 LEU 89 1HD1 LEU 89 49.089 124.774 71.024 631 2HD1 LEU 89 2HD1 LEU 89 50.398 125.947 70.889 632 3HD1 LEU 89 3HD1 LEU 89 50.121 125.107 72.414 633 1HD2 LEU 89 1HD2 LEU 89 52.977 124.177 71.802 634 2HD2 LEU 89 2HD2 LEU 89 52.465 125.509 70.767 635 3HD2 LEU 89 3HD2 LEU 89 53.017 123.998 70.048 636 H LEU 90 H LEU 90 52.739 121.893 69.076 637 HA LEU 90 HA LEU 90 55.372 121.434 70.441 638 1HB LEU 90 1HB LEU 90 54.372 120.770 67.659 639 2HB LEU 90 2HB LEU 90 56.073 120.663 68.116 640 HG LEU 90 HG LEU 90 53.819 119.210 69.534 641 1HD1 LEU 90 1HD1 LEU 90 54.112 117.434 68.148 642 2HD1 LEU 90 2HD1 LEU 90 55.861 117.656 68.077 643 3HD1 LEU 90 3HD1 LEU 90 54.808 118.613 67.035 644 1HD2 LEU 90 1HD2 LEU 90 55.513 119.366 71.122 645 2HD2 LEU 90 2HD2 LEU 90 56.788 119.426 69.906 646 3HD2 LEU 90 3HD2 LEU 90 56.000 117.894 70.282 647 H GLU 91 H GLU 91 57.048 122.963 69.921 648 HA GLU 91 HA GLU 91 56.140 125.556 68.914 649 1HB GLU 91 1HB GLU 91 58.833 124.485 69.815 650 2HB GLU 91 2HB GLU 91 58.464 126.188 69.538 651 1HG GLU 91 1HG GLU 91 56.705 126.092 71.268 652 2HG GLU 91 2HG GLU 91 57.075 124.391 71.549 653 H THR 92 H THR 92 57.961 122.820 67.642 654 HA THR 92 HA THR 92 58.412 124.382 65.121 655 HB THR 92 HB THR 92 60.094 122.140 66.288 656 HG1 THR 92 HG1 THR 92 60.603 124.925 66.265 657 1HG2 THR 92 1HG2 THR 92 61.791 123.193 64.673 658 2HG2 THR 92 2HG2 THR 92 60.412 124.020 63.948 659 3HG2 THR 92 3HG2 THR 92 60.483 122.257 63.949 660 H GLU 93 H GLU 93 58.645 122.874 63.174 661 HA GLU 93 HA GLU 93 56.350 121.036 63.116 662 1HB GLU 93 1HB GLU 93 58.352 122.035 61.076 663 2HB GLU 93 2HB GLU 93 56.977 121.005 60.678 664 1HG GLU 93 1HG GLU 93 55.437 122.701 61.595 665 2HG GLU 93 2HG GLU 93 56.812 123.734 61.990 666 H GLN 94 H GLN 94 59.343 120.458 64.285 667 HA GLN 94 HA GLN 94 59.347 117.678 63.221 668 1HB GLN 94 1HB GLN 94 61.628 119.663 63.333 669 2HB GLN 94 2HB GLN 94 61.884 117.934 63.096 670 1HG GLN 94 1HG GLN 94 60.440 117.991 61.094 671 2HG GLN 94 2HG GLN 94 60.186 119.721 61.327 672 1HE2 GLN 94 1HE2 GLN 94 61.695 118.040 59.166 673 2HE2 GLN 94 2HE2 GLN 94 63.195 118.825 59.045 674 H GLY 95 H GLY 95 60.046 116.125 64.853 675 1HA GLY 95 1HA GLY 95 61.529 116.812 67.172 676 2HA GLY 95 2HA GLY 95 59.827 116.968 67.585 677 H GLN 96 H GLN 96 61.650 115.164 68.760 678 HA GLN 96 HA GLN 96 60.618 112.473 67.868 679 1HB GLN 96 1HB GLN 96 63.117 113.194 69.440 680 2HB GLN 96 2HB GLN 96 62.696 111.602 68.813 681 1HG GLN 96 1HG GLN 96 62.628 112.823 66.495 682 2HG GLN 96 2HG GLN 96 63.603 114.044 67.318 683 1HE2 GLN 96 1HE2 GLN 96 64.254 111.829 65.204 684 2HE2 GLN 96 2HE2 GLN 96 65.633 111.078 65.850 685 H MET 97 H MET 97 59.264 111.502 69.377 686 HA MET 97 HA MET 97 59.408 112.495 72.208 687 1HB MET 97 1HB MET 97 57.064 111.769 70.434 688 2HB MET 97 2HB MET 97 56.912 112.080 72.163 689 1HG MET 97 1HG MET 97 57.824 114.335 71.862 690 2HG MET 97 2HG MET 97 58.051 114.031 70.140 691 1HE MET 97 1HE MET 97 55.866 113.581 72.966 692 2HE MET 97 2HE MET 97 54.222 113.468 72.343 693 3HE MET 97 3HE MET 97 54.875 115.039 72.803 694 H GLN 98 H GLN 98 60.099 110.841 73.535 695 HA GLN 98 HA GLN 98 59.120 108.050 73.004 696 1HB GLN 98 1HB GLN 98 61.552 108.510 72.472 697 2HB GLN 98 2HB GLN 98 61.775 108.973 74.159 698 1HG GLN 98 1HG GLN 98 61.026 106.736 74.878 699 2HG GLN 98 2HG GLN 98 60.803 106.268 73.192 700 1HE2 GLN 98 1HE2 GLN 98 62.685 104.986 75.047 701 2HE2 GLN 98 2HE2 GLN 98 64.242 105.237 74.420 702 H GLY 99 H GLY 99 58.521 106.921 74.996 703 1HA GLY 99 1HA GLY 99 58.916 108.355 77.548 704 2HA GLY 99 2HA GLY 99 57.243 108.246 77.012 705 H HIS 100 H HIS 100 57.471 107.096 79.302 706 HA HIS 100 HA HIS 100 57.578 104.185 78.704 707 1HB HIS 100 1HB HIS 100 59.528 105.546 80.078 708 2HB HIS 100 2HB HIS 100 58.470 105.053 81.398 709 HD1 HIS 100 HD1 HIS 100 61.320 103.877 79.698 710 HD2 HIS 100 HD2 HIS 100 57.775 102.045 80.903 711 HE1 HIS 100 HE1 HIS 100 61.787 101.389 79.768 712 H TYR 101 H TYR 101 56.165 102.925 80.145 713 HA TYR 101 HA TYR 101 54.056 104.599 81.453 714 1HB TYR 101 1HB TYR 101 54.028 102.076 79.809 715 2HB TYR 101 2HB TYR 101 52.702 102.400 80.921 716 HD1 TYR 101 HD1 TYR 101 52.447 105.376 80.691 717 HD2 TYR 101 HD2 TYR 101 53.111 102.377 77.683 718 HE1 TYR 101 HE1 TYR 101 51.412 106.849 78.991 719 HE2 TYR 101 HE2 TYR 101 52.075 103.855 75.986 720 HH TYR 101 HH TYR 101 50.165 106.353 76.647 721 H ASP 102 H ASP 102 53.837 104.228 83.692 722 HA ASP 102 HA ASP 102 55.309 101.956 84.915 723 1HB ASP 102 1HB ASP 102 53.725 104.336 85.959 724 2HB ASP 102 2HB ASP 102 54.473 103.136 87.012 725 H MET 103 H MET 103 54.362 100.077 85.134 726 HA MET 103 HA MET 103 51.366 99.927 85.398 727 1HB MET 103 1HB MET 103 52.730 99.177 83.258 728 2HB MET 103 2HB MET 103 53.083 97.758 84.243 729 1HG MET 103 1HG MET 103 51.114 97.105 83.178 730 2HG MET 103 2HG MET 103 50.494 97.769 84.688 731 1HE MET 103 1HE MET 103 50.524 99.602 80.517 732 2HE MET 103 2HE MET 103 51.486 98.278 81.167 733 3HE MET 103 3HE MET 103 51.930 99.943 81.533 734 H VAL 104 H VAL 104 50.622 98.052 86.655 735 HA VAL 104 HA VAL 104 52.669 96.809 88.443 736 HB VAL 104 HB VAL 104 51.029 97.272 90.342 737 1HG1 VAL 104 1HG1 VAL 104 53.100 98.526 90.118 738 2HG1 VAL 104 2HG1 VAL 104 51.806 99.622 90.603 739 3HG1 VAL 104 3HG1 VAL 104 52.360 99.596 88.929 740 1HG2 VAL 104 1HG2 VAL 104 49.082 97.818 88.877 741 2HG2 VAL 104 2HG2 VAL 104 49.920 99.275 88.346 742 3HG2 VAL 104 3HG2 VAL 104 49.434 99.102 90.032 743 H ALA 105 H ALA 105 52.284 94.631 88.628 744 HA ALA 105 HA ALA 105 49.971 93.371 87.351 745 1HB ALA 105 1HB ALA 105 52.115 92.273 89.201 746 2HB ALA 105 2HB ALA 105 52.290 92.440 87.454 747 3HB ALA 105 3HB ALA 105 51.092 91.329 88.119 748 H ASP 106 H ASP 106 48.578 91.806 88.597 749 HA ASP 106 HA ASP 106 47.228 93.119 90.770 750 1HB ASP 106 1HB ASP 106 46.328 91.432 89.106 751 2HB ASP 106 2HB ASP 106 47.183 90.182 90.011 752 H ASP 107 H ASP 107 49.812 90.710 90.665 753 HA ASP 107 HA ASP 107 49.646 89.952 93.459 754 1HB ASP 107 1HB ASP 107 51.749 89.724 91.293 755 2HB ASP 107 2HB ASP 107 51.941 89.005 92.892 756 H GLY 108 H GLY 108 50.708 92.849 92.008 757 1HA GLY 108 1HA GLY 108 51.447 94.706 93.381 758 2HA GLY 108 2HA GLY 108 52.171 93.551 94.496 759 H THR 109 H THR 109 53.113 92.254 91.685 760 HA THR 109 HA THR 109 55.829 93.039 91.859 761 HB THR 109 HB THR 109 54.307 92.104 89.405 762 HG1 THR 109 HG1 THR 109 54.132 90.246 90.358 763 1HG2 THR 109 1HG2 THR 109 56.597 92.723 88.905 764 2HG2 THR 109 2HG2 THR 109 56.488 90.963 88.929 765 3HG2 THR 109 3HG2 THR 109 57.186 91.821 90.302 766 H GLU 110 H GLU 110 56.942 94.825 91.020 767 HA GLU 110 HA GLU 110 55.321 96.844 89.545 768 1HB GLU 110 1HB GLU 110 56.465 97.442 91.667 769 2HB GLU 110 2HB GLU 110 58.014 97.017 90.939 770 1HG GLU 110 1HG GLU 110 57.680 98.748 89.210 771 2HG GLU 110 2HG GLU 110 56.132 99.178 89.939 772 H PHE 111 H PHE 111 55.866 97.492 87.483 773 HA PHE 111 HA PHE 111 58.471 96.933 86.272 774 1HB PHE 111 1HB PHE 111 57.695 95.276 84.686 775 2HB PHE 111 2HB PHE 111 57.245 94.719 86.295 776 HD1 PHE 111 HD1 PHE 111 56.039 95.897 83.056 777 HD2 PHE 111 HD2 PHE 111 54.881 94.894 87.069 778 HE1 PHE 111 HE1 PHE 111 53.667 95.777 82.341 779 HE2 PHE 111 HE2 PHE 111 52.509 94.774 86.353 780 HZ PHE 111 HZ PHE 111 51.902 95.215 83.990 781 H ILE 112 H ILE 112 58.793 98.189 84.459 782 HA ILE 112 HA ILE 112 56.641 100.153 83.839 783 HB ILE 112 HB ILE 112 58.543 101.474 82.950 784 1HG1 ILE 112 1HG1 ILE 112 60.356 99.271 83.958 785 2HG1 ILE 112 2HG1 ILE 112 59.834 99.342 82.274 786 1HG2 ILE 112 1HG2 ILE 112 59.479 100.416 85.594 787 2HG2 ILE 112 2HG2 ILE 112 57.897 101.190 85.495 788 3HG2 ILE 112 3HG2 ILE 112 59.348 102.085 85.042 789 1HD1 ILE 112 1HD1 ILE 112 60.627 101.899 82.587 790 2HD1 ILE 112 2HD1 ILE 112 61.729 100.621 82.072 791 3HD1 ILE 112 3HD1 ILE 112 61.692 101.126 83.762 792 H ALA 113 H ALA 113 56.237 100.730 81.595 793 HA ALA 113 HA ALA 113 56.903 98.564 79.631 794 1HB ALA 113 1HB ALA 113 54.616 98.312 79.982 795 2HB ALA 113 2HB ALA 113 54.594 99.514 78.692 796 3HB ALA 113 3HB ALA 113 54.389 100.017 80.369 797 HA PRO 114 HA PRO 114 58.847 102.380 77.988 798 1HB PRO 114 1HB PRO 114 60.164 101.127 75.961 799 2HB PRO 114 2HB PRO 114 60.794 101.186 77.619 800 1HG PRO 114 1HG PRO 114 59.356 98.987 76.221 801 2HG PRO 114 2HG PRO 114 60.752 98.910 77.309 802 1HD PRO 114 1HD PRO 114 58.248 98.314 78.119 803 2HD PRO 114 2HD PRO 114 59.459 99.036 79.201 804 H ILE 115 H ILE 115 58.226 103.657 76.385 805 HA ILE 115 HA ILE 115 56.166 102.648 74.441 806 HB ILE 115 HB ILE 115 56.800 105.463 75.397 807 1HG1 ILE 115 1HG1 ILE 115 54.469 103.705 76.208 808 2HG1 ILE 115 2HG1 ILE 115 55.934 103.858 77.179 809 1HG2 ILE 115 1HG2 ILE 115 54.688 106.054 74.363 810 2HG2 ILE 115 2HG2 ILE 115 54.369 104.366 73.961 811 3HG2 ILE 115 3HG2 ILE 115 55.685 105.229 73.165 812 1HD1 ILE 115 1HD1 ILE 115 55.568 106.372 77.133 813 2HD1 ILE 115 2HD1 ILE 115 54.372 105.457 78.052 814 3HD1 ILE 115 3HD1 ILE 115 53.980 106.046 76.437 815 H ALA 116 H ALA 116 56.888 102.453 72.382 816 HA ALA 116 HA ALA 116 59.459 102.979 71.413 817 1HB ALA 116 1HB ALA 116 57.928 101.580 70.225 818 2HB ALA 116 2HB ALA 116 58.245 102.951 69.162 819 3HB ALA 116 3HB ALA 116 56.743 102.880 70.085 820 H ALA 117 H ALA 117 60.442 104.724 70.340 821 HA ALA 117 HA ALA 117 59.210 107.383 70.773 822 1HB ALA 117 1HB ALA 117 61.933 106.675 69.658 823 2HB ALA 117 2HB ALA 117 61.592 106.651 71.388 824 3HB ALA 117 3HB ALA 117 61.453 108.159 70.484 825 H PHE 118 H PHE 118 58.069 108.280 69.106 826 HA PHE 118 HA PHE 118 58.708 107.442 66.304 827 1HB PHE 118 1HB PHE 118 56.376 108.211 65.853 828 2HB PHE 118 2HB PHE 118 56.426 106.950 67.082 829 HD1 PHE 118 HD1 PHE 118 55.810 107.396 69.370 830 HD2 PHE 118 HD2 PHE 118 56.014 110.585 66.500 831 HE1 PHE 118 HE1 PHE 118 54.647 108.901 70.961 832 HE2 PHE 118 HE2 PHE 118 54.851 112.090 68.092 833 HZ PHE 118 HZ PHE 118 54.169 111.249 70.321 834 H VAL 119 H VAL 119 58.373 109.315 64.678 835 HA VAL 119 HA VAL 119 59.473 111.827 65.881 836 HB VAL 119 HB VAL 119 60.992 110.566 64.402 837 1HG1 VAL 119 1HG1 VAL 119 59.503 109.338 63.004 838 2HG1 VAL 119 2HG1 VAL 119 60.326 110.470 61.930 839 3HG1 VAL 119 3HG1 VAL 119 58.680 110.802 62.466 840 1HG2 VAL 119 1HG2 VAL 119 60.954 113.093 64.394 841 2HG2 VAL 119 2HG2 VAL 119 59.937 113.013 62.955 842 3HG2 VAL 119 3HG2 VAL 119 61.581 112.374 62.910 843 H LEU 120 H LEU 120 58.700 113.828 65.002 844 HA LEU 120 HA LEU 120 56.006 113.637 63.692 845 1HB LEU 120 1HB LEU 120 57.246 115.618 65.630 846 2HB LEU 120 2HB LEU 120 55.713 115.910 64.812 847 HG LEU 120 HG LEU 120 54.923 113.681 65.778 848 1HD1 LEU 120 1HD1 LEU 120 56.352 113.398 68.067 849 2HD1 LEU 120 2HD1 LEU 120 57.634 113.897 66.965 850 3HD1 LEU 120 3HD1 LEU 120 56.672 112.463 66.607 851 1HD2 LEU 120 1HD2 LEU 120 54.178 114.719 67.766 852 2HD2 LEU 120 2HD2 LEU 120 54.479 116.070 66.674 853 3HD2 LEU 120 3HD2 LEU 120 55.654 115.670 67.926 854 H SER 121 H SER 121 55.797 114.634 61.724 855 HA SER 121 HA SER 121 57.632 116.815 60.921 856 1HB SER 121 1HB SER 121 57.491 114.093 59.591 857 2HB SER 121 2HB SER 121 58.297 115.492 58.887 858 HG SER 121 HG SER 121 59.919 115.125 60.161 Start of MODEL 6 1 H ARG 6 1H ARG 6 56.359 87.243 83.487 2 HA ARG 6 HA ARG 6 53.921 86.352 81.989 3 1HB ARG 6 1HB ARG 6 54.257 86.726 84.984 4 2HB ARG 6 2HB ARG 6 52.742 86.321 84.177 5 1HG ARG 6 1HG ARG 6 55.219 84.624 83.846 6 2HG ARG 6 2HG ARG 6 54.084 84.363 85.171 7 1HD ARG 6 1HD ARG 6 52.255 83.987 83.591 8 2HD ARG 6 2HD ARG 6 53.328 84.357 82.227 9 HE ARG 6 HE ARG 6 54.377 82.247 82.527 10 1HH1 ARG 6 1HH2 ARG 6 51.579 81.554 83.657 11 2HH1 ARG 6 2HH2 ARG 6 52.029 80.689 85.088 12 1HH2 ARG 6 2HH1 ARG 6 55.315 81.793 85.042 13 2HH2 ARG 6 1HH1 ARG 6 54.144 80.824 85.872 14 H TYR 7 H TYR 7 55.830 88.902 82.334 15 HA TYR 7 HA TYR 7 53.590 90.863 82.713 16 1HB TYR 7 1HB TYR 7 56.563 91.101 83.290 17 2HB TYR 7 2HB TYR 7 55.374 92.377 83.548 18 HD1 TYR 7 HD1 TYR 7 53.125 91.297 84.805 19 HD2 TYR 7 HD2 TYR 7 57.207 90.038 85.253 20 HE1 TYR 7 HE1 TYR 7 52.586 90.341 87.029 21 HE2 TYR 7 HE2 TYR 7 56.669 89.083 87.478 22 HH TYR 7 HH TYR 7 54.279 89.835 89.270 23 H ARG 8 H ARG 8 53.038 91.616 80.721 24 HA ARG 8 HA ARG 8 55.126 92.733 78.921 25 1HB ARG 8 1HB ARG 8 53.230 90.470 78.237 26 2HB ARG 8 2HB ARG 8 54.091 91.408 77.021 27 1HG ARG 8 1HG ARG 8 56.242 90.792 78.211 28 2HG ARG 8 2HG ARG 8 55.293 89.672 79.190 29 1HD ARG 8 1HD ARG 8 56.217 88.420 77.320 30 2HD ARG 8 2HD ARG 8 54.481 88.623 77.016 31 HE ARG 8 HE ARG 8 55.053 90.517 75.515 32 1HH1 ARG 8 2HH1 ARG 8 57.900 90.702 76.751 33 2HH1 ARG 8 1HH1 ARG 8 58.846 90.145 75.411 34 1HH2 ARG 8 1HH2 ARG 8 56.135 88.826 73.701 35 2HH2 ARG 8 2HH2 ARG 8 57.847 89.083 73.685 36 H VAL 9 H VAL 9 54.391 94.525 77.925 37 HA VAL 9 HA VAL 9 51.490 95.001 77.485 38 HB VAL 9 HB VAL 9 53.293 96.733 79.221 39 1HG1 VAL 9 1HG1 VAL 9 51.174 98.022 79.606 40 2HG1 VAL 9 2HG1 VAL 9 50.405 97.051 78.350 41 3HG1 VAL 9 3HG1 VAL 9 51.753 98.112 77.942 42 1HG2 VAL 9 1HG2 VAL 9 50.981 94.882 79.838 43 2HG2 VAL 9 2HG2 VAL 9 51.483 96.157 80.948 44 3HG2 VAL 9 3HG2 VAL 9 52.602 94.860 80.529 45 H GLU 10 H GLU 10 51.503 95.580 75.372 46 HA GLU 10 HA GLU 10 53.722 97.290 74.263 47 1HB GLU 10 1HB GLU 10 53.281 95.023 73.297 48 2HB GLU 10 2HB GLU 10 51.623 95.525 72.964 49 1HG GLU 10 1HG GLU 10 52.461 97.358 71.536 50 2HG GLU 10 2HG GLU 10 54.118 96.855 71.865 51 H VAL 11 H VAL 11 53.255 99.322 73.811 52 HA VAL 11 HA VAL 11 50.377 100.146 73.588 53 HB VAL 11 HB VAL 11 52.822 101.672 74.559 54 1HG1 VAL 11 1HG1 VAL 11 50.047 102.596 75.110 55 2HG1 VAL 11 2HG1 VAL 11 50.625 102.794 73.456 56 3HG1 VAL 11 3HG1 VAL 11 51.504 103.536 74.791 57 1HG2 VAL 11 1HG2 VAL 11 50.635 100.134 75.932 58 2HG2 VAL 11 2HG2 VAL 11 51.317 101.552 76.727 59 3HG2 VAL 11 3HG2 VAL 11 52.357 100.194 76.305 60 H GLU 12 H GLU 12 49.813 101.322 71.735 61 HA GLU 12 HA GLU 12 52.022 102.005 69.813 62 1HB GLU 12 1HB GLU 12 49.227 100.892 69.435 63 2HB GLU 12 2HB GLU 12 50.213 101.495 68.103 64 1HG GLU 12 1HG GLU 12 51.095 99.315 70.014 65 2HG GLU 12 2HG GLU 12 50.393 99.013 68.425 66 H VAL 13 H VAL 13 51.988 104.085 69.038 67 HA VAL 13 HA VAL 13 49.585 105.794 69.620 68 HB VAL 13 HB VAL 13 52.539 106.449 69.900 69 1HG1 VAL 13 1HG1 VAL 13 51.428 108.489 71.117 70 2HG1 VAL 13 2HG1 VAL 13 50.019 108.072 70.141 71 3HG1 VAL 13 3HG1 VAL 13 51.541 108.494 69.357 72 1HG2 VAL 13 1HG2 VAL 13 51.609 106.788 72.363 73 2HG2 VAL 13 2HG2 VAL 13 52.100 105.189 71.801 74 3HG2 VAL 13 3HG2 VAL 13 50.393 105.629 71.825 75 H SER 14 H SER 14 48.913 107.047 67.938 76 HA SER 14 HA SER 14 50.688 107.212 65.530 77 1HB SER 14 1HB SER 14 48.845 105.599 65.268 78 2HB SER 14 2HB SER 14 47.680 106.836 65.729 79 HG SER 14 HG SER 14 47.704 107.446 63.728 80 HA PRO 15 HA PRO 15 49.545 111.511 66.468 81 1HB PRO 15 1HB PRO 15 51.827 112.670 65.546 82 2HB PRO 15 2HB PRO 15 51.714 111.944 67.162 83 1HG PRO 15 1HG PRO 15 52.922 110.851 64.676 84 2HG PRO 15 2HG PRO 15 53.479 110.729 66.353 85 1HD PRO 15 1HD PRO 15 52.195 108.715 65.044 86 2HD PRO 15 2HD PRO 15 52.141 108.935 66.805 87 H ARG 16 H ARG 16 49.283 113.417 65.078 88 HA ARG 16 HA ARG 16 49.532 113.101 62.153 89 1HB ARG 16 1HB ARG 16 47.068 113.286 61.835 90 2HB ARG 16 2HB ARG 16 47.508 111.807 62.685 91 1HG ARG 16 1HG ARG 16 46.994 112.906 64.844 92 2HG ARG 16 2HG ARG 16 46.517 114.366 63.977 93 1HD ARG 16 1HD ARG 16 44.679 113.216 62.900 94 2HD ARG 16 2HD ARG 16 45.229 111.651 63.533 95 HE ARG 16 HE ARG 16 44.591 113.819 65.472 96 1HH1 ARG 16 1HH2 ARG 16 45.140 111.004 66.337 97 2HH1 ARG 16 2HH2 ARG 16 43.542 110.377 66.567 98 1HH2 ARG 16 2HH1 ARG 16 42.001 112.911 64.769 99 2HH2 ARG 16 1HH1 ARG 16 41.765 111.455 65.679 100 H PHE 17 H PHE 17 49.829 115.062 61.274 101 HA PHE 17 HA PHE 17 50.137 117.444 62.778 102 1HB PHE 17 1HB PHE 17 51.116 116.896 60.559 103 2HB PHE 17 2HB PHE 17 49.523 117.094 59.828 104 HD1 PHE 17 HD1 PHE 17 52.042 118.902 61.923 105 HD2 PHE 17 HD2 PHE 17 48.811 119.218 59.110 106 HE1 PHE 17 HE1 PHE 17 52.435 121.343 61.749 107 HE2 PHE 17 HE2 PHE 17 49.207 121.661 58.936 108 HZ PHE 17 HZ PHE 17 51.016 122.723 60.255 109 H LEU 18 H LEU 18 48.737 119.103 63.314 110 HA LEU 18 HA LEU 18 45.872 118.892 62.407 111 1HB LEU 18 1HB LEU 18 46.804 118.600 64.915 112 2HB LEU 18 2HB LEU 18 46.698 120.360 64.877 113 HG LEU 18 HG LEU 18 44.328 120.157 64.107 114 1HD1 LEU 18 1HD1 LEU 18 43.404 117.742 64.698 115 2HD1 LEU 18 2HD1 LEU 18 45.054 117.256 64.309 116 3HD1 LEU 18 3HD1 LEU 18 44.070 118.080 63.100 117 1HD2 LEU 18 1HD2 LEU 18 45.121 120.276 66.573 118 2HD2 LEU 18 2HD2 LEU 18 44.704 118.564 66.646 119 3HD2 LEU 18 3HD2 LEU 18 43.461 119.759 66.275 120 H ALA 19 H ALA 19 46.506 120.139 60.544 121 HA ALA 19 HA ALA 19 47.488 122.888 60.668 122 1HB ALA 19 1HB ALA 19 45.745 121.830 58.490 123 2HB ALA 19 2HB ALA 19 47.285 121.021 58.780 124 3HB ALA 19 3HB ALA 19 47.252 122.739 58.382 125 H HIS 20 H HIS 20 44.226 121.428 60.605 126 HA HIS 20 HA HIS 20 42.832 123.912 60.191 127 1HB HIS 20 1HB HIS 20 41.987 121.572 59.787 128 2HB HIS 20 2HB HIS 20 41.865 121.367 61.534 129 HD1 HIS 20 HD1 HIS 20 40.735 124.059 59.058 130 HD2 HIS 20 HD2 HIS 20 39.303 121.940 62.350 131 HE1 HIS 20 HE1 HIS 20 38.374 124.879 59.467 132 H GLN 21 H GLN 21 44.163 122.410 63.055 133 HA GLN 21 HA GLN 21 42.883 124.559 64.720 134 1HB GLN 21 1HB GLN 21 42.250 122.076 65.030 135 2HB GLN 21 2HB GLN 21 43.873 121.873 65.688 136 1HG GLN 21 1HG GLN 21 42.354 122.295 67.532 137 2HG GLN 21 2HG GLN 21 43.377 123.716 67.319 138 1HE2 GLN 21 1HE2 GLN 21 42.218 125.639 67.345 139 2HE2 GLN 21 2HE2 GLN 21 40.604 125.817 66.851 140 H SER 22 H SER 22 45.290 125.123 63.376 141 HA SER 22 HA SER 22 47.069 125.682 65.628 142 1HB SER 22 1HB SER 22 47.529 123.302 65.102 143 2HB SER 22 2HB SER 22 47.908 123.753 63.443 144 HG SER 22 HG SER 22 49.210 124.749 65.764 145 H THR 23 H THR 23 48.659 127.249 65.065 146 HA THR 23 HA THR 23 48.549 128.271 62.248 147 HB THR 23 HB THR 23 47.336 129.733 63.817 148 HG1 THR 23 HG1 THR 23 49.860 130.839 63.175 149 1HG2 THR 23 1HG2 THR 23 48.240 130.620 65.784 150 2HG2 THR 23 2HG2 THR 23 49.896 130.281 65.295 151 3HG2 THR 23 3HG2 THR 23 48.846 128.970 65.812 152 HA PRO 24 HA PRO 24 52.819 126.975 63.156 153 1HB PRO 24 1HB PRO 24 53.574 126.654 60.550 154 2HB PRO 24 2HB PRO 24 52.716 125.405 61.474 155 1HG PRO 24 1HG PRO 24 51.653 127.354 59.493 156 2HG PRO 24 2HG PRO 24 51.254 125.642 59.722 157 1HD PRO 24 1HD PRO 24 49.680 127.656 60.620 158 2HD PRO 24 2HD PRO 24 49.786 126.075 61.425 159 H ASP 25 H ASP 25 51.579 129.526 61.081 160 HA ASP 25 HA ASP 25 54.082 130.758 60.422 161 1HB ASP 25 1HB ASP 25 51.234 131.771 60.667 162 2HB ASP 25 2HB ASP 25 52.545 132.768 60.035 163 H GLU 26 H GLU 26 52.214 130.780 63.372 164 HA GLU 26 HA GLU 26 53.847 133.056 64.428 165 1HB GLU 26 1HB GLU 26 51.272 131.709 65.279 166 2HB GLU 26 2HB GLU 26 52.073 132.943 66.250 167 1HG GLU 26 1HG GLU 26 51.932 134.526 64.361 168 2HG GLU 26 2HG GLU 26 51.128 133.295 63.389 169 H GLY 27 H GLY 27 54.662 130.089 64.114 170 1HA GLY 27 1HA GLY 27 56.035 128.632 65.339 171 2HA GLY 27 2HA GLY 27 56.116 129.867 66.595 172 H ARG 28 H ARG 28 53.058 128.615 65.456 173 HA ARG 28 HA ARG 28 52.711 127.179 68.071 174 1HB ARG 28 1HB ARG 28 50.847 128.886 66.405 175 2HB ARG 28 2HB ARG 28 50.287 127.898 67.754 176 1HG ARG 28 1HG ARG 28 52.541 129.882 68.074 177 2HG ARG 28 2HG ARG 28 50.854 130.359 68.268 178 1HD ARG 28 1HD ARG 28 50.539 128.801 70.087 179 2HD ARG 28 2HD ARG 28 52.124 128.060 69.794 180 HE ARG 28 HE ARG 28 53.140 129.921 70.854 181 1HH1 ARG 28 1HH2 ARG 28 50.314 130.084 72.168 182 2HH1 ARG 28 2HH2 ARG 28 50.038 131.790 72.063 183 1HH2 ARG 28 2HH1 ARG 28 52.596 132.334 69.787 184 2HH2 ARG 28 1HH1 ARG 28 51.329 133.064 70.715 185 H TYR 29 H TYR 29 53.189 125.081 67.206 186 HA TYR 29 HA TYR 29 51.471 124.128 64.942 187 1HB TYR 29 1HB TYR 29 53.934 122.904 66.245 188 2HB TYR 29 2HB TYR 29 53.161 122.363 64.756 189 HD1 TYR 29 HD1 TYR 29 55.082 125.122 66.323 190 HD2 TYR 29 HD2 TYR 29 53.559 123.474 62.661 191 HE1 TYR 29 HE1 TYR 29 56.475 126.713 65.028 192 HE2 TYR 29 HE2 TYR 29 54.953 125.067 61.367 193 HH TYR 29 HH TYR 29 57.347 126.403 62.069 194 H ALA 30 H ALA 30 49.845 122.691 65.432 195 HA ALA 30 HA ALA 30 49.817 121.573 68.209 196 1HB ALA 30 1HB ALA 30 47.552 122.036 68.268 197 2HB ALA 30 2HB ALA 30 47.346 121.750 66.539 198 3HB ALA 30 3HB ALA 30 48.055 123.262 67.104 199 H PHE 31 H PHE 31 50.156 119.397 68.292 200 HA PHE 31 HA PHE 31 49.403 117.713 65.922 201 1HB PHE 31 1HB PHE 31 51.525 117.447 68.076 202 2HB PHE 31 2HB PHE 31 51.175 116.186 66.895 203 HD1 PHE 31 HD1 PHE 31 52.393 119.663 67.325 204 HD2 PHE 31 HD2 PHE 31 51.913 116.361 64.620 205 HE1 PHE 31 HE1 PHE 31 53.880 120.785 65.691 206 HE2 PHE 31 HE2 PHE 31 53.396 117.487 62.983 207 HZ PHE 31 HZ PHE 31 54.381 119.700 63.517 208 H ALA 32 H ALA 32 47.918 116.027 66.328 209 HA ALA 32 HA ALA 32 47.086 115.612 69.178 210 1HB ALA 32 1HB ALA 32 44.972 114.792 67.998 211 2HB ALA 32 2HB ALA 32 45.682 115.388 66.497 212 3HB ALA 32 3HB ALA 32 45.315 116.511 67.806 213 H TYR 33 H TYR 33 47.464 113.536 69.983 214 HA TYR 33 HA TYR 33 48.078 111.414 67.955 215 1HB TYR 33 1HB TYR 33 49.946 110.714 69.312 216 2HB TYR 33 2HB TYR 33 50.075 112.450 69.063 217 HD1 TYR 33 HD1 TYR 33 49.953 109.815 71.467 218 HD2 TYR 33 HD2 TYR 33 49.129 113.992 70.939 219 HE1 TYR 33 HE1 TYR 33 50.046 110.139 73.921 220 HE2 TYR 33 HE2 TYR 33 49.210 114.314 73.394 221 HH TYR 33 HH TYR 33 50.609 112.329 75.457 222 H SER 34 H SER 34 47.336 109.326 68.419 223 HA SER 34 HA SER 34 45.393 109.119 70.682 224 1HB SER 34 1HB SER 34 44.483 107.272 69.283 225 2HB SER 34 2HB SER 34 44.569 108.785 68.385 226 HG SER 34 HG SER 34 45.797 106.430 67.914 227 H ILE 35 H ILE 35 45.649 107.513 72.224 228 HA ILE 35 HA ILE 35 48.225 105.961 72.196 229 HB ILE 35 HB ILE 35 46.299 106.835 74.364 230 1HG1 ILE 35 1HG1 ILE 35 47.600 108.672 73.335 231 2HG1 ILE 35 2HG1 ILE 35 48.123 108.376 74.989 232 1HG2 ILE 35 1HG2 ILE 35 47.287 104.883 75.235 233 2HG2 ILE 35 2HG2 ILE 35 48.359 106.159 75.811 234 3HG2 ILE 35 3HG2 ILE 35 48.822 105.182 74.416 235 1HD1 ILE 35 1HD1 ILE 35 50.223 108.184 74.182 236 2HD1 ILE 35 2HD1 ILE 35 49.645 108.162 72.517 237 3HD1 ILE 35 3HD1 ILE 35 49.716 106.665 73.444 238 H ARG 36 H ARG 36 48.152 103.814 72.032 239 HA ARG 36 HA ARG 36 45.557 102.374 72.506 240 1HB ARG 36 1HB ARG 36 47.773 101.992 70.471 241 2HB ARG 36 2HB ARG 36 46.489 100.809 70.726 242 1HG ARG 36 1HG ARG 36 44.796 102.527 70.211 243 2HG ARG 36 2HG ARG 36 46.076 103.712 69.952 244 1HD ARG 36 1HD ARG 36 45.760 101.133 68.370 245 2HD ARG 36 2HD ARG 36 45.307 102.749 67.794 246 HE ARG 36 HE ARG 36 47.902 103.124 68.603 247 1HH1 ARG 36 2HH1 ARG 36 47.939 100.067 67.987 248 2HH1 ARG 36 1HH1 ARG 36 48.607 100.095 66.389 249 1HH2 ARG 36 1HH2 ARG 36 48.072 103.491 65.940 250 2HH2 ARG 36 2HH2 ARG 36 48.682 102.033 65.229 251 H ILE 37 H ILE 37 46.012 101.680 74.611 252 HA ILE 37 HA ILE 37 48.595 100.366 75.265 253 HB ILE 37 HB ILE 37 46.087 100.933 76.878 254 1HG1 ILE 37 1HG1 ILE 37 48.717 102.441 76.867 255 2HG1 ILE 37 2HG1 ILE 37 47.321 102.943 75.913 256 1HG2 ILE 37 1HG2 ILE 37 47.384 100.424 78.809 257 2HG2 ILE 37 2HG2 ILE 37 48.890 100.420 77.889 258 3HG2 ILE 37 3HG2 ILE 37 47.721 99.116 77.674 259 1HD1 ILE 37 1HD1 ILE 37 45.964 103.097 77.964 260 2HD1 ILE 37 2HD1 ILE 37 47.390 104.129 78.081 261 3HD1 ILE 37 3HD1 ILE 37 47.349 102.580 78.925 262 H GLN 38 H GLN 38 48.791 98.220 74.786 263 HA GLN 38 HA GLN 38 46.367 96.461 75.061 264 1HB GLN 38 1HB GLN 38 47.207 96.753 72.737 265 2HB GLN 38 2HB GLN 38 48.806 96.218 73.259 266 1HG GLN 38 1HG GLN 38 47.916 94.030 73.877 267 2HG GLN 38 2HG GLN 38 46.280 94.554 73.477 268 1HE2 GLN 38 1HE2 GLN 38 47.403 92.313 72.147 269 2HE2 GLN 38 2HE2 GLN 38 47.688 92.718 70.523 270 H ASN 39 H ASN 39 46.544 94.823 76.484 271 HA ASN 39 HA ASN 39 49.095 94.551 77.965 272 1HB ASN 39 1HB ASN 39 46.911 94.924 79.118 273 2HB ASN 39 2HB ASN 39 46.347 93.372 78.495 274 1HD2 ASN 39 1HD2 ASN 39 48.666 94.878 80.737 275 2HD2 ASN 39 2HD2 ASN 39 49.018 93.457 81.594 276 H ALA 40 H ALA 40 50.485 92.937 77.323 277 HA ALA 40 HA ALA 40 49.326 90.448 76.107 278 1HB ALA 40 1HB ALA 40 51.599 90.330 75.003 279 2HB ALA 40 2HB ALA 40 51.955 91.909 75.704 280 3HB ALA 40 3HB ALA 40 50.650 91.740 74.530 281 H GLY 41 H GLY 41 50.225 91.372 79.030 282 1HA GLY 41 1HA GLY 41 52.314 89.413 79.638 283 2HA GLY 41 2HA GLY 41 51.457 90.415 80.811 284 H ALA 42 H ALA 42 51.686 87.976 81.725 285 HA ALA 42 HA ALA 42 49.454 86.269 80.813 286 1HB ALA 42 1HB ALA 42 51.969 85.775 81.692 287 2HB ALA 42 2HB ALA 42 50.662 84.597 81.817 288 3HB ALA 42 3HB ALA 42 51.078 85.603 83.205 289 H VAL 43 H VAL 43 50.415 88.258 83.538 290 HA VAL 43 HA VAL 43 47.851 87.657 84.958 291 HB VAL 43 HB VAL 43 50.467 88.967 85.804 292 1HG1 VAL 43 1HG1 VAL 43 49.624 89.017 88.043 293 2HG1 VAL 43 2HG1 VAL 43 48.199 88.077 87.599 294 3HG1 VAL 43 3HG1 VAL 43 48.371 89.739 87.034 295 1HG2 VAL 43 1HG2 VAL 43 49.277 86.267 86.510 296 2HG2 VAL 43 2HG2 VAL 43 50.832 86.894 87.057 297 3HG2 VAL 43 3HG2 VAL 43 50.582 86.522 85.351 298 HA PRO 44 HA PRO 44 46.092 91.459 83.596 299 1HB PRO 44 1HB PRO 44 44.706 92.214 85.842 300 2HB PRO 44 2HB PRO 44 44.136 90.974 84.704 301 1HG PRO 44 1HG PRO 44 45.596 90.632 87.290 302 2HG PRO 44 2HG PRO 44 44.169 89.770 86.684 303 1HD PRO 44 1HD PRO 44 46.571 88.656 86.533 304 2HD PRO 44 2HD PRO 44 45.411 88.481 85.201 305 H ALA 45 H ALA 45 46.613 93.659 83.730 306 HA ALA 45 HA ALA 45 48.361 94.558 86.002 307 1HB ALA 45 1HB ALA 45 48.834 94.830 83.023 308 2HB ALA 45 2HB ALA 45 49.733 93.787 84.125 309 3HB ALA 45 3HB ALA 45 49.846 95.540 84.279 310 H ARG 46 H ARG 46 48.300 96.767 86.412 311 HA ARG 46 HA ARG 46 46.239 98.388 84.939 312 1HB ARG 46 1HB ARG 46 45.490 97.582 87.160 313 2HB ARG 46 2HB ARG 46 46.930 98.273 87.901 314 1HG ARG 46 1HG ARG 46 46.173 100.522 86.951 315 2HG ARG 46 2HG ARG 46 44.632 99.741 86.593 316 1HD ARG 46 1HD ARG 46 44.521 100.859 88.791 317 2HD ARG 46 2HD ARG 46 44.437 99.099 89.006 318 HE ARG 46 HE ARG 46 47.151 100.246 89.054 319 1HH1 ARG 46 2HH1 ARG 46 46.660 97.653 90.318 320 2HH1 ARG 46 1HH1 ARG 46 46.503 98.047 91.998 321 1HH2 ARG 46 1HH2 ARG 46 45.963 101.425 91.427 322 2HH2 ARG 46 2HH2 ARG 46 46.109 100.183 92.626 323 H LEU 47 H LEU 47 46.743 100.671 84.798 324 HA LEU 47 HA LEU 47 49.662 101.237 84.950 325 1HB LEU 47 1HB LEU 47 48.180 101.582 82.893 326 2HB LEU 47 2HB LEU 47 47.418 102.903 83.778 327 HG LEU 47 HG LEU 47 50.415 102.778 83.469 328 1HD1 LEU 47 1HD1 LEU 47 48.367 103.878 81.528 329 2HD1 LEU 47 2HD1 LEU 47 49.632 102.694 81.199 330 3HD1 LEU 47 3HD1 LEU 47 50.060 104.374 81.525 331 1HD2 LEU 47 1HD2 LEU 47 49.886 104.444 85.005 332 2HD2 LEU 47 2HD2 LEU 47 48.334 104.796 84.243 333 3HD2 LEU 47 3HD2 LEU 47 49.831 105.363 83.502 334 H VAL 48 H VAL 48 50.346 102.210 86.815 335 HA VAL 48 HA VAL 48 48.414 103.850 88.376 336 HB VAL 48 HB VAL 48 51.151 102.699 89.033 337 1HG1 VAL 48 1HG1 VAL 48 50.513 103.224 91.382 338 2HG1 VAL 48 2HG1 VAL 48 49.060 104.026 90.787 339 3HG1 VAL 48 3HG1 VAL 48 50.649 104.677 90.392 340 1HG2 VAL 48 1HG2 VAL 48 49.188 101.094 88.622 341 2HG2 VAL 48 2HG2 VAL 48 48.449 101.802 90.058 342 3HG2 VAL 48 3HG2 VAL 48 49.993 100.959 90.186 343 H ALA 49 H ALA 49 51.413 104.099 86.529 344 HA ALA 49 HA ALA 49 51.305 107.049 86.987 345 1HB ALA 49 1HB ALA 49 53.396 107.101 87.908 346 2HB ALA 49 2HB ALA 49 53.992 105.806 86.869 347 3HB ALA 49 3HB ALA 49 53.033 105.420 88.297 348 H ARG 50 H ARG 50 52.557 108.282 85.396 349 HA ARG 50 HA ARG 50 53.205 106.904 82.807 350 1HB ARG 50 1HB ARG 50 51.800 108.517 81.636 351 2HB ARG 50 2HB ARG 50 50.826 107.677 82.838 352 1HG ARG 50 1HG ARG 50 51.328 109.631 84.408 353 2HG ARG 50 2HG ARG 50 51.955 110.479 82.995 354 1HD ARG 50 1HD ARG 50 49.722 110.014 81.859 355 2HD ARG 50 2HD ARG 50 49.126 109.480 83.444 356 HE ARG 50 HE ARG 50 49.496 111.729 84.297 357 1HH1 ARG 50 1HH2 ARG 50 48.178 111.963 81.455 358 2HH1 ARG 50 2HH2 ARG 50 49.037 113.343 80.855 359 1HH2 ARG 50 2HH1 ARG 50 51.479 113.224 83.314 360 2HH2 ARG 50 1HH1 ARG 50 50.905 114.056 81.907 361 H HIS 51 H HIS 51 54.953 107.791 81.811 362 HA HIS 51 HA HIS 51 55.943 110.484 82.658 363 1HB HIS 51 1HB HIS 51 56.959 108.758 84.109 364 2HB HIS 51 2HB HIS 51 57.479 107.861 82.686 365 HD1 HIS 51 HD1 HIS 51 59.980 108.182 83.483 366 HD2 HIS 51 HD2 HIS 51 57.989 111.720 82.532 367 HE1 HIS 51 HE1 HIS 51 61.760 109.971 83.270 368 H TRP 52 H TRP 52 55.985 111.544 80.744 369 HA TRP 52 HA TRP 52 56.893 110.120 78.271 370 1HB TRP 52 1HB TRP 52 55.142 112.462 78.949 371 2HB TRP 52 2HB TRP 52 55.881 112.377 77.349 372 HD1 TRP 52 HD1 TRP 52 53.037 111.050 79.342 373 HE1 TRP 52 HE1 TRP 52 51.778 109.243 77.998 374 HE3 TRP 52 HE3 TRP 52 56.355 110.317 75.533 375 HZ2 TRP 52 HZ2 TRP 52 52.138 107.692 75.617 376 HZ3 TRP 52 HZ3 TRP 52 55.875 108.671 73.744 377 HH2 TRP 52 HH2 TRP 52 53.772 107.359 73.780 378 H GLN 53 H GLN 53 58.770 110.737 77.290 379 HA GLN 53 HA GLN 53 60.256 113.104 78.390 380 1HB GLN 53 1HB GLN 53 61.215 110.853 78.817 381 2HB GLN 53 2HB GLN 53 61.235 110.545 77.079 382 1HG GLN 53 1HG GLN 53 62.813 112.334 76.707 383 2HG GLN 53 2HG GLN 53 62.673 112.872 78.381 384 1HE2 GLN 53 1HE2 GLN 53 65.213 112.150 77.309 385 2HE2 GLN 53 2HE2 GLN 53 65.738 110.723 78.062 386 H ILE 54 H ILE 54 59.074 114.458 76.740 387 HA ILE 54 HA ILE 54 59.502 113.847 73.898 388 HB ILE 54 HB ILE 54 58.025 115.691 73.532 389 1HG1 ILE 54 1HG1 ILE 54 58.390 116.513 76.433 390 2HG1 ILE 54 2HG1 ILE 54 59.170 117.311 75.070 391 1HG2 ILE 54 1HG2 ILE 54 56.203 114.692 74.411 392 2HG2 ILE 54 2HG2 ILE 54 56.743 114.958 76.068 393 3HG2 ILE 54 3HG2 ILE 54 57.338 113.568 75.161 394 1HD1 ILE 54 1HD1 ILE 54 56.194 117.085 75.564 395 2HD1 ILE 54 2HD1 ILE 54 56.904 117.722 74.081 396 3HD1 ILE 54 3HD1 ILE 54 57.169 118.553 75.613 397 H THR 55 H THR 55 61.164 114.563 72.685 398 HA THR 55 HA THR 55 62.804 116.880 73.671 399 HB THR 55 HB THR 55 63.757 114.513 72.011 400 HG1 THR 55 HG1 THR 55 63.779 113.415 73.782 401 1HG2 THR 55 1HG2 THR 55 65.972 115.308 73.079 402 2HG2 THR 55 2HG2 THR 55 65.091 116.780 73.487 403 3HG2 THR 55 3HG2 THR 55 65.280 116.305 71.800 404 H ASP 56 H ASP 56 62.992 118.535 72.286 405 HA ASP 56 HA ASP 56 61.558 118.336 69.736 406 1HB ASP 56 1HB ASP 56 61.382 120.202 71.465 407 2HB ASP 56 2HB ASP 56 62.988 120.714 70.947 408 H GLY 57 H GLY 57 62.581 119.473 67.808 409 1HA GLY 57 1HA GLY 57 64.947 118.134 66.990 410 2HA GLY 57 2HA GLY 57 64.218 119.493 66.144 411 H ASN 58 H ASN 58 64.788 120.816 69.104 412 HA ASN 58 HA ASN 58 67.462 121.803 68.229 413 1HB ASN 58 1HB ASN 58 65.495 123.360 68.614 414 2HB ASN 58 2HB ASN 58 65.563 122.916 70.320 415 1HD2 ASN 58 1HD2 ASN 58 67.333 124.592 67.730 416 2HD2 ASN 58 2HD2 ASN 58 68.413 125.401 68.760 417 H GLY 59 H GLY 59 66.423 119.368 70.106 418 1HA GLY 59 1HA GLY 59 67.851 118.091 71.553 419 2HA GLY 59 2HA GLY 59 68.805 119.541 71.851 420 H ARG 60 H ARG 60 66.324 121.146 72.436 421 HA ARG 60 HA ARG 60 66.246 120.775 75.279 422 1HB ARG 60 1HB ARG 60 65.033 122.447 73.201 423 2HB ARG 60 2HB ARG 60 63.908 122.119 74.517 424 1HG ARG 60 1HG ARG 60 64.939 123.767 75.666 425 2HG ARG 60 2HG ARG 60 66.319 122.681 75.823 426 1HD ARG 60 1HD ARG 60 67.013 124.862 74.861 427 2HD ARG 60 2HD ARG 60 67.229 123.564 73.672 428 HE ARG 60 HE ARG 60 64.578 124.590 73.405 429 1HH1 ARG 60 1HH2 ARG 60 67.238 126.550 73.679 430 2HH1 ARG 60 2HH2 ARG 60 67.186 127.177 72.065 431 1HH2 ARG 60 2HH1 ARG 60 64.771 124.934 70.987 432 2HH2 ARG 60 1HH1 ARG 60 65.790 126.262 70.542 433 H THR 61 H THR 61 64.796 119.616 76.580 434 HA THR 61 HA THR 61 62.617 118.137 75.178 435 HB THR 61 HB THR 61 64.584 116.688 75.418 436 HG1 THR 61 HG1 THR 61 63.498 115.041 76.276 437 1HG2 THR 61 1HG2 THR 61 64.409 117.552 78.308 438 2HG2 THR 61 2HG2 THR 61 65.786 117.684 77.215 439 3HG2 THR 61 3HG2 THR 61 65.284 116.103 77.812 440 H GLU 62 H GLU 62 60.811 117.567 76.564 441 HA GLU 62 HA GLU 62 60.752 119.044 79.178 442 1HB GLU 62 1HB GLU 62 59.406 120.043 77.346 443 2HB GLU 62 2HB GLU 62 58.550 118.512 77.153 444 1HG GLU 62 1HG GLU 62 57.735 118.671 79.479 445 2HG GLU 62 2HG GLU 62 58.588 120.202 79.673 446 H GLN 63 H GLN 63 60.512 117.676 80.884 447 HA GLN 63 HA GLN 63 59.569 114.884 80.428 448 1HB GLN 63 1HB GLN 63 61.744 115.538 81.563 449 2HB GLN 63 2HB GLN 63 60.768 116.187 82.881 450 1HG GLN 63 1HG GLN 63 59.722 113.976 83.201 451 2HG GLN 63 2HG GLN 63 60.701 113.327 81.886 452 1HE2 GLN 63 1HE2 GLN 63 62.278 112.037 82.870 453 2HE2 GLN 63 2HE2 GLN 63 63.238 112.522 84.184 454 H VAL 64 H VAL 64 57.641 114.167 81.266 455 HA VAL 64 HA VAL 64 56.168 115.950 83.179 456 HB VAL 64 HB VAL 64 55.103 114.416 80.779 457 1HG1 VAL 64 1HG1 VAL 64 53.717 116.245 82.765 458 2HG1 VAL 64 2HG1 VAL 64 53.456 114.510 82.589 459 3HG1 VAL 64 3HG1 VAL 64 52.978 115.609 81.294 460 1HG2 VAL 64 1HG2 VAL 64 55.423 117.394 81.283 461 2HG2 VAL 64 2HG2 VAL 64 54.662 116.676 79.863 462 3HG2 VAL 64 3HG2 VAL 64 56.383 116.430 80.159 463 H ASP 65 H ASP 65 55.428 114.935 84.940 464 HA ASP 65 HA ASP 65 55.270 111.934 84.967 465 1HB ASP 65 1HB ASP 65 56.155 112.110 87.281 466 2HB ASP 65 2HB ASP 65 57.276 112.796 86.107 467 H GLY 66 H GLY 66 53.258 111.215 85.568 468 1HA GLY 66 1HA GLY 66 51.668 112.711 87.540 469 2HA GLY 66 2HA GLY 66 50.953 112.602 85.929 470 H GLU 67 H GLU 67 49.507 111.422 87.890 471 HA GLU 67 HA GLU 67 50.132 108.496 87.679 472 1HB GLU 67 1HB GLU 67 48.693 110.185 89.743 473 2HB GLU 67 2HB GLU 67 48.677 108.421 89.767 474 1HG GLU 67 1HG GLU 67 50.488 108.911 91.166 475 2HG GLU 67 2HG GLU 67 51.280 108.654 89.611 476 H GLY 68 H GLY 68 48.212 107.079 87.415 477 1HA GLY 68 1HA GLY 68 46.296 106.472 86.220 478 2HA GLY 68 2HA GLY 68 45.563 107.830 87.063 479 H VAL 69 H VAL 69 46.854 106.714 84.019 480 HA VAL 69 HA VAL 69 47.239 108.992 82.447 481 HB VAL 69 HB VAL 69 46.316 107.581 80.604 482 1HG1 VAL 69 1HG1 VAL 69 48.631 107.291 81.479 483 2HG1 VAL 69 2HG1 VAL 69 47.955 105.801 80.820 484 3HG1 VAL 69 3HG1 VAL 69 48.032 106.039 82.566 485 1HG2 VAL 69 1HG2 VAL 69 45.595 105.242 81.268 486 2HG2 VAL 69 2HG2 VAL 69 44.447 106.513 81.680 487 3HG2 VAL 69 3HG2 VAL 69 45.481 105.822 82.928 488 H VAL 70 H VAL 70 46.088 110.628 81.750 489 HA VAL 70 HA VAL 70 44.357 112.201 81.729 490 HB VAL 70 HB VAL 70 42.578 111.503 80.223 491 1HG1 VAL 70 1HG1 VAL 70 45.229 111.368 79.628 492 2HG1 VAL 70 2HG1 VAL 70 43.940 111.166 78.440 493 3HG1 VAL 70 3HG1 VAL 70 44.705 109.749 79.160 494 1HG2 VAL 70 1HG2 VAL 70 42.062 109.369 81.453 495 2HG2 VAL 70 2HG2 VAL 70 43.463 108.639 80.667 496 3HG2 VAL 70 3HG2 VAL 70 42.100 109.200 79.701 497 H GLY 71 H GLY 71 44.558 110.893 84.260 498 1HA GLY 71 1HA GLY 71 43.344 111.179 86.263 499 2HA GLY 71 2HA GLY 71 41.919 111.573 85.312 500 H GLU 72 H GLU 72 43.561 108.569 84.558 501 HA GLU 72 HA GLU 72 41.688 107.070 86.326 502 1HB GLU 72 1HB GLU 72 40.820 105.787 84.403 503 2HB GLU 72 2HB GLU 72 40.475 107.508 84.244 504 1HG GLU 72 1HG GLU 72 41.993 107.791 82.527 505 2HG GLU 72 2HG GLU 72 43.002 106.444 83.043 506 H GLN 73 H GLN 73 42.200 104.902 86.653 507 HA GLN 73 HA GLN 73 44.963 104.012 85.842 508 1HB GLN 73 1HB GLN 73 43.294 103.686 88.355 509 2HB GLN 73 2HB GLN 73 44.782 102.786 88.061 510 1HG GLN 73 1HG GLN 73 46.086 104.802 87.980 511 2HG GLN 73 2HG GLN 73 44.637 105.807 87.967 512 1HE2 GLN 73 1HE2 GLN 73 43.831 106.465 89.984 513 2HE2 GLN 73 2HE2 GLN 73 44.353 105.841 91.474 514 HA PRO 74 HA PRO 74 41.530 101.300 84.091 515 1HB PRO 74 1HB PRO 74 42.936 100.549 81.873 516 2HB PRO 74 2HB PRO 74 41.921 102.004 81.940 517 1HG PRO 74 1HG PRO 74 44.874 101.744 82.220 518 2HG PRO 74 2HG PRO 74 43.925 102.966 81.357 519 1HD PRO 74 1HD PRO 74 45.020 103.416 83.787 520 2HD PRO 74 2HD PRO 74 43.505 104.178 83.258 521 H TRP 75 H TRP 75 41.437 99.119 84.458 522 HA TRP 75 HA TRP 75 43.903 97.720 85.396 523 1HB TRP 75 1HB TRP 75 41.589 97.977 86.623 524 2HB TRP 75 2HB TRP 75 41.064 96.706 85.521 525 HD1 TRP 75 HD1 TRP 75 43.773 97.375 88.181 526 HE1 TRP 75 HE1 TRP 75 44.455 95.119 89.226 527 HE3 TRP 75 HE3 TRP 75 41.022 94.192 85.284 528 HZ2 TRP 75 HZ2 TRP 75 43.905 92.334 88.881 529 HZ3 TRP 75 HZ3 TRP 75 41.118 91.746 85.666 530 HH2 TRP 75 HH2 TRP 75 42.555 90.812 87.459 531 H LEU 76 H LEU 76 44.526 97.619 83.011 532 HA LEU 76 HA LEU 76 43.019 96.253 81.032 533 1HB LEU 76 1HB LEU 76 45.863 96.978 81.536 534 2HB LEU 76 2HB LEU 76 45.544 95.807 80.256 535 HG LEU 76 HG LEU 76 44.191 98.511 80.482 536 1HD1 LEU 76 1HD1 LEU 76 46.458 97.552 78.712 537 2HD1 LEU 76 2HD1 LEU 76 46.566 98.779 79.974 538 3HD1 LEU 76 3HD1 LEU 76 45.615 99.090 78.521 539 1HD2 LEU 76 1HD2 LEU 76 43.910 97.707 77.908 540 2HD2 LEU 76 2HD2 LEU 76 42.717 97.351 79.156 541 3HD2 LEU 76 3HD2 LEU 76 43.915 96.137 78.708 542 H ARG 77 H ARG 77 42.362 94.179 81.008 543 HA ARG 77 HA ARG 77 43.688 92.112 82.649 544 1HB ARG 77 1HB ARG 77 41.234 92.337 80.893 545 2HB ARG 77 2HB ARG 77 41.758 90.776 81.521 546 1HG ARG 77 1HG ARG 77 41.859 92.139 83.810 547 2HG ARG 77 2HG ARG 77 40.659 93.134 82.986 548 1HD ARG 77 1HD ARG 77 40.465 90.116 83.304 549 2HD ARG 77 2HD ARG 77 39.579 91.302 84.285 550 HE ARG 77 HE ARG 77 39.292 91.684 81.389 551 1HH1 ARG 77 1HH2 ARG 77 37.594 91.778 84.184 552 2HH1 ARG 77 2HH2 ARG 77 36.215 90.888 83.632 553 1HH2 ARG 77 2HH1 ARG 77 37.732 89.846 80.693 554 2HH2 ARG 77 1HH1 ARG 77 36.292 89.793 81.656 555 HA PRO 78 HA PRO 78 46.265 90.503 79.471 556 1HB PRO 78 1HB PRO 78 45.717 87.820 79.397 557 2HB PRO 78 2HB PRO 78 46.711 88.572 80.662 558 1HG PRO 78 1HG PRO 78 43.841 87.780 80.735 559 2HG PRO 78 2HG PRO 78 45.092 87.604 81.976 560 1HD PRO 78 1HD PRO 78 43.233 89.563 82.056 561 2HD PRO 78 2HD PRO 78 44.876 89.776 82.696 562 H GLY 79 H GLY 79 45.983 90.702 77.332 563 1HA GLY 79 1HA GLY 79 45.076 90.187 75.175 564 2HA GLY 79 2HA GLY 79 43.720 89.386 75.965 565 H GLU 80 H GLU 80 43.592 92.024 77.711 566 HA GLU 80 HA GLU 80 41.658 93.365 75.920 567 1HB GLU 80 1HB GLU 80 41.574 92.736 78.512 568 2HB GLU 80 2HB GLU 80 42.373 94.301 78.677 569 1HG GLU 80 1HG GLU 80 39.969 94.635 78.830 570 2HG GLU 80 2HG GLU 80 40.540 95.325 77.311 571 H ALA 81 H ALA 81 41.715 95.783 75.771 572 HA ALA 81 HA ALA 81 44.416 96.996 76.052 573 1HB ALA 81 1HB ALA 81 44.254 95.939 73.814 574 2HB ALA 81 2HB ALA 81 44.335 97.695 73.680 575 3HB ALA 81 3HB ALA 81 42.790 96.866 73.489 576 H PHE 82 H PHE 82 44.323 99.313 76.165 577 HA PHE 82 HA PHE 82 41.563 100.466 76.414 578 1HB PHE 82 1HB PHE 82 42.781 100.208 78.550 579 2HB PHE 82 2HB PHE 82 44.138 101.121 77.891 580 HD1 PHE 82 HD1 PHE 82 43.981 103.536 77.523 581 HD2 PHE 82 HD2 PHE 82 40.670 101.310 79.111 582 HE1 PHE 82 HE1 PHE 82 42.875 105.654 78.190 583 HE2 PHE 82 HE2 PHE 82 39.565 103.426 79.778 584 HZ PHE 82 HZ PHE 82 40.668 105.599 79.316 585 H HIS 83 H HIS 83 41.291 102.587 75.443 586 HA HIS 83 HA HIS 83 43.666 103.744 74.058 587 1HB HIS 83 1HB HIS 83 42.326 103.855 71.964 588 2HB HIS 83 2HB HIS 83 42.571 102.195 72.501 589 HD1 HIS 83 HD1 HIS 83 39.930 104.899 72.380 590 HD2 HIS 83 HD2 HIS 83 40.214 100.823 73.204 591 HE1 HIS 83 HE1 HIS 83 37.555 104.038 72.562 592 H TYR 84 H TYR 84 43.613 105.976 73.952 593 HA TYR 84 HA TYR 84 41.080 107.437 74.369 594 1HB TYR 84 1HB TYR 84 41.934 108.603 76.349 595 2HB TYR 84 2HB TYR 84 41.963 106.865 76.630 596 HD1 TYR 84 HD1 TYR 84 43.980 109.887 76.136 597 HD2 TYR 84 HD2 TYR 84 44.097 105.622 76.623 598 HE1 TYR 84 HE1 TYR 84 46.407 110.009 76.633 599 HE2 TYR 84 HE2 TYR 84 46.522 105.742 77.118 600 HH TYR 84 HH TYR 84 48.086 108.493 77.969 601 H THR 85 H THR 85 41.371 109.780 73.906 602 HA THR 85 HA THR 85 43.605 110.212 71.974 603 HB THR 85 HB THR 85 41.017 111.724 72.452 604 HG1 THR 85 HG1 THR 85 40.128 110.332 71.152 605 1HG2 THR 85 1HG2 THR 85 41.476 112.589 70.150 606 2HG2 THR 85 2HG2 THR 85 43.052 111.800 70.209 607 3HG2 THR 85 3HG2 THR 85 42.676 113.104 71.335 608 H SER 86 H SER 86 45.139 111.783 72.324 609 HA SER 86 HA SER 86 44.791 113.568 74.711 610 1HB SER 86 1HB SER 86 46.387 111.871 75.212 611 2HB SER 86 2HB SER 86 47.163 112.038 73.637 612 HG SER 86 HG SER 86 47.582 113.411 75.926 613 H GLY 87 H GLY 87 46.328 115.591 74.469 614 1HA GLY 87 1HA GLY 87 46.815 116.297 71.619 615 2HA GLY 87 2HA GLY 87 45.822 117.377 72.595 616 H VAL 88 H VAL 88 48.817 117.125 71.416 617 HA VAL 88 HA VAL 88 50.054 118.592 73.728 618 HB VAL 88 HB VAL 88 51.224 116.460 71.901 619 1HG1 VAL 88 1HG1 VAL 88 52.541 118.372 73.838 620 2HG1 VAL 88 2HG1 VAL 88 53.004 118.004 72.176 621 3HG1 VAL 88 3HG1 VAL 88 53.268 116.812 73.449 622 1HG2 VAL 88 1HG2 VAL 88 51.367 116.372 74.880 623 2HG2 VAL 88 2HG2 VAL 88 51.170 115.053 73.725 624 3HG2 VAL 88 3HG2 VAL 88 49.794 116.073 74.143 625 H LEU 89 H LEU 89 51.517 120.274 73.086 626 HA LEU 89 HA LEU 89 51.146 121.175 70.254 627 1HB LEU 89 1HB LEU 89 50.267 122.478 72.283 628 2HB LEU 89 2HB LEU 89 51.955 122.818 72.664 629 HG LEU 89 HG LEU 89 50.993 123.346 69.881 630 1HD1 LEU 89 1HD1 LEU 89 50.256 124.891 72.352 631 2HD1 LEU 89 2HD1 LEU 89 49.263 124.507 70.946 632 3HD1 LEU 89 3HD1 LEU 89 50.515 125.743 70.831 633 1HD2 LEU 89 1HD2 LEU 89 53.257 123.825 70.064 634 2HD2 LEU 89 2HD2 LEU 89 53.127 124.286 71.760 635 3HD2 LEU 89 3HD2 LEU 89 52.577 125.392 70.502 636 H LEU 90 H LEU 90 52.979 121.728 69.039 637 HA LEU 90 HA LEU 90 55.643 121.255 70.339 638 1HB LEU 90 1HB LEU 90 54.582 120.614 67.574 639 2HB LEU 90 2HB LEU 90 56.285 120.477 68.007 640 HG LEU 90 HG LEU 90 54.027 119.047 69.440 641 1HD1 LEU 90 1HD1 LEU 90 54.928 118.450 66.933 642 2HD1 LEU 90 2HD1 LEU 90 54.322 117.246 68.069 643 3HD1 LEU 90 3HD1 LEU 90 56.057 117.520 67.916 644 1HD2 LEU 90 1HD2 LEU 90 57.008 119.204 69.775 645 2HD2 LEU 90 2HD2 LEU 90 56.183 117.695 70.169 646 3HD2 LEU 90 3HD2 LEU 90 55.746 119.184 71.008 647 H GLU 91 H GLU 91 57.305 122.785 69.799 648 HA GLU 91 HA GLU 91 56.396 125.389 68.844 649 1HB GLU 91 1HB GLU 91 58.068 124.858 70.692 650 2HB GLU 91 2HB GLU 91 59.208 124.423 69.418 651 1HG GLU 91 1HG GLU 91 59.609 126.734 70.009 652 2HG GLU 91 2HG GLU 91 58.847 126.708 68.419 653 H THR 92 H THR 92 58.116 122.646 67.451 654 HA THR 92 HA THR 92 58.445 124.224 64.917 655 HB THR 92 HB THR 92 60.478 122.823 64.564 656 HG1 THR 92 HG1 THR 92 60.722 121.137 65.761 657 1HG2 THR 92 1HG2 THR 92 61.848 123.864 66.326 658 2HG2 THR 92 2HG2 THR 92 60.389 124.233 67.245 659 3HG2 THR 92 3HG2 THR 92 60.669 125.011 65.688 660 H GLU 93 H GLU 93 58.644 122.664 62.972 661 HA GLU 93 HA GLU 93 56.318 120.862 63.005 662 1HB GLU 93 1HB GLU 93 58.287 121.768 60.886 663 2HB GLU 93 2HB GLU 93 56.860 120.786 60.555 664 1HG GLU 93 1HG GLU 93 55.419 122.558 61.486 665 2HG GLU 93 2HG GLU 93 56.845 123.543 61.814 666 H GLN 94 H GLN 94 59.297 120.248 64.146 667 HA GLN 94 HA GLN 94 59.242 117.457 63.127 668 1HB GLN 94 1HB GLN 94 61.720 117.592 62.828 669 2HB GLN 94 2HB GLN 94 60.854 118.713 61.779 670 1HG GLN 94 1HG GLN 94 61.272 120.543 63.387 671 2HG GLN 94 2HG GLN 94 62.142 119.423 64.434 672 1HE2 GLN 94 1HE2 GLN 94 64.319 120.036 64.216 673 2HE2 GLN 94 2HE2 GLN 94 65.119 120.213 62.730 674 H GLY 95 H GLY 95 59.928 115.922 64.779 675 1HA GLY 95 1HA GLY 95 61.454 116.643 67.075 676 2HA GLY 95 2HA GLY 95 59.755 116.806 67.494 677 H GLN 96 H GLN 96 61.533 115.022 68.721 678 HA GLN 96 HA GLN 96 60.493 112.325 67.861 679 1HB GLN 96 1HB GLN 96 63.028 113.059 69.368 680 2HB GLN 96 2HB GLN 96 62.582 111.454 68.793 681 1HG GLN 96 1HG GLN 96 62.414 112.816 66.466 682 2HG GLN 96 2HG GLN 96 63.648 113.778 67.283 683 1HE2 GLN 96 1HE2 GLN 96 65.754 112.906 67.403 684 2HE2 GLN 96 2HE2 GLN 96 66.161 111.339 66.891 685 H MET 97 H MET 97 59.163 111.377 69.400 686 HA MET 97 HA MET 97 59.353 112.393 72.221 687 1HB MET 97 1HB MET 97 57.379 113.191 70.956 688 2HB MET 97 2HB MET 97 56.930 111.520 70.613 689 1HG MET 97 1HG MET 97 56.837 111.120 73.103 690 2HG MET 97 2HG MET 97 57.064 112.852 73.329 691 1HE MET 97 1HE MET 97 55.986 114.499 72.400 692 2HE MET 97 2HE MET 97 54.382 114.583 73.125 693 3HE MET 97 3HE MET 97 54.545 114.490 71.372 694 H GLN 98 H GLN 98 59.983 110.774 73.614 695 HA GLN 98 HA GLN 98 59.148 107.947 73.020 696 1HB GLN 98 1HB GLN 98 61.651 108.971 74.417 697 2HB GLN 98 2HB GLN 98 61.307 107.302 73.968 698 1HG GLN 98 1HG GLN 98 61.110 108.275 71.543 699 2HG GLN 98 2HG GLN 98 62.033 109.624 72.199 700 1HE2 GLN 98 1HE2 GLN 98 63.503 108.436 70.359 701 2HE2 GLN 98 2HE2 GLN 98 64.631 107.336 70.992 702 H GLY 99 H GLY 99 58.464 106.770 74.985 703 1HA GLY 99 1HA GLY 99 58.629 108.188 77.558 704 2HA GLY 99 2HA GLY 99 57.001 108.131 76.894 705 H HIS 100 H HIS 100 57.342 106.978 79.287 706 HA HIS 100 HA HIS 100 57.150 104.069 78.659 707 1HB HIS 100 1HB HIS 100 58.689 105.503 80.840 708 2HB HIS 100 2HB HIS 100 58.268 103.798 80.981 709 HD1 HIS 100 HD1 HIS 100 60.040 106.099 78.498 710 HD2 HIS 100 HD2 HIS 100 60.112 102.137 79.790 711 HE1 HIS 100 HE1 HIS 100 61.974 104.991 77.298 712 H TYR 101 H TYR 101 55.688 102.930 80.096 713 HA TYR 101 HA TYR 101 53.849 104.731 81.622 714 1HB TYR 101 1HB TYR 101 53.450 102.389 79.785 715 2HB TYR 101 2HB TYR 101 52.252 102.684 81.041 716 HD1 TYR 101 HD1 TYR 101 52.181 105.648 81.174 717 HD2 TYR 101 HD2 TYR 101 52.443 103.031 77.772 718 HE1 TYR 101 HE1 TYR 101 51.145 107.391 79.752 719 HE2 TYR 101 HE2 TYR 101 51.403 104.778 76.353 720 HH TYR 101 HH TYR 101 49.692 107.207 77.391 721 H ASP 102 H ASP 102 53.767 104.229 83.865 722 HA ASP 102 HA ASP 102 55.136 101.802 84.833 723 1HB ASP 102 1HB ASP 102 55.238 104.119 85.887 724 2HB ASP 102 2HB ASP 102 53.538 103.923 86.313 725 H MET 103 H MET 103 54.151 99.940 85.019 726 HA MET 103 HA MET 103 51.158 99.839 85.328 727 1HB MET 103 1HB MET 103 53.126 97.966 83.976 728 2HB MET 103 2HB MET 103 51.387 97.700 84.084 729 1HG MET 103 1HG MET 103 52.606 100.169 82.825 730 2HG MET 103 2HG MET 103 52.174 98.729 81.903 731 1HE MET 103 1HE MET 103 50.009 97.804 81.525 732 2HE MET 103 2HE MET 103 48.449 98.397 82.088 733 3HE MET 103 3HE MET 103 49.552 97.628 83.225 734 H VAL 104 H VAL 104 50.395 97.960 86.589 735 HA VAL 104 HA VAL 104 52.436 96.739 88.400 736 HB VAL 104 HB VAL 104 50.783 97.222 90.287 737 1HG1 VAL 104 1HG1 VAL 104 51.579 99.557 90.547 738 2HG1 VAL 104 2HG1 VAL 104 52.112 99.543 88.865 739 3HG1 VAL 104 3HG1 VAL 104 52.868 98.466 90.039 740 1HG2 VAL 104 1HG2 VAL 104 49.221 99.098 89.931 741 2HG2 VAL 104 2HG2 VAL 104 48.831 97.758 88.853 742 3HG2 VAL 104 3HG2 VAL 104 49.683 99.171 88.230 743 H ALA 105 H ALA 105 52.078 94.562 88.532 744 HA ALA 105 HA ALA 105 49.737 93.293 87.321 745 1HB ALA 105 1HB ALA 105 51.927 92.250 87.245 746 2HB ALA 105 2HB ALA 105 50.894 91.248 88.265 747 3HB ALA 105 3HB ALA 105 52.075 92.332 89.000 748 H ASP 106 H ASP 106 48.405 91.698 88.620 749 HA ASP 106 HA ASP 106 47.083 93.005 90.806 750 1HB ASP 106 1HB ASP 106 46.181 91.259 89.216 751 2HB ASP 106 2HB ASP 106 47.117 90.054 90.102 752 H ASP 107 H ASP 107 49.743 90.685 90.683 753 HA ASP 107 HA ASP 107 49.687 89.969 93.487 754 1HB ASP 107 1HB ASP 107 51.753 89.823 91.279 755 2HB ASP 107 2HB ASP 107 52.015 89.135 92.883 756 H GLY 108 H GLY 108 50.693 92.848 91.892 757 1HA GLY 108 1HA GLY 108 51.327 94.789 93.222 758 2HA GLY 108 2HA GLY 108 52.090 93.699 94.378 759 H THR 109 H THR 109 53.046 92.377 91.558 760 HA THR 109 HA THR 109 55.750 93.200 91.719 761 HB THR 109 HB THR 109 54.200 92.236 89.292 762 HG1 THR 109 HG1 THR 109 55.398 90.858 91.460 763 1HG2 THR 109 1HG2 THR 109 56.433 91.149 88.786 764 2HG2 THR 109 2HG2 THR 109 57.119 92.132 90.079 765 3HG2 THR 109 3HG2 THR 109 56.417 92.908 88.659 766 H GLU 110 H GLU 110 56.851 94.976 90.852 767 HA GLU 110 HA GLU 110 55.203 96.997 89.413 768 1HB GLU 110 1HB GLU 110 56.986 98.551 90.150 769 2HB GLU 110 2HB GLU 110 56.331 97.642 91.509 770 1HG GLU 110 1HG GLU 110 58.232 96.169 91.548 771 2HG GLU 110 2HG GLU 110 58.824 96.797 90.011 772 H PHE 111 H PHE 111 55.760 97.735 87.379 773 HA PHE 111 HA PHE 111 58.320 97.230 86.104 774 1HB PHE 111 1HB PHE 111 57.585 95.513 84.550 775 2HB PHE 111 2HB PHE 111 57.233 94.954 86.181 776 HD1 PHE 111 HD1 PHE 111 55.821 96.067 82.993 777 HD2 PHE 111 HD2 PHE 111 54.906 94.956 87.040 778 HE1 PHE 111 HE1 PHE 111 53.433 95.807 82.381 779 HE2 PHE 111 HE2 PHE 111 52.517 94.698 86.427 780 HZ PHE 111 HZ PHE 111 51.781 95.122 84.099 781 H ILE 112 H ILE 112 58.513 98.402 84.187 782 HA ILE 112 HA ILE 112 56.263 100.275 83.625 783 HB ILE 112 HB ILE 112 58.072 101.638 82.606 784 1HG1 ILE 112 1HG1 ILE 112 60.023 99.570 83.629 785 2HG1 ILE 112 2HG1 ILE 112 59.418 99.513 81.973 786 1HG2 ILE 112 1HG2 ILE 112 59.233 102.157 84.679 787 2HG2 ILE 112 2HG2 ILE 112 58.825 100.575 85.342 788 3HG2 ILE 112 3HG2 ILE 112 57.555 101.762 85.048 789 1HD1 ILE 112 1HD1 ILE 112 61.073 101.657 83.295 790 2HD1 ILE 112 2HD1 ILE 112 60.118 102.007 81.854 791 3HD1 ILE 112 3HD1 ILE 112 61.392 100.790 81.793 792 H ALA 113 H ALA 113 55.810 100.825 81.370 793 HA ALA 113 HA ALA 113 56.423 98.615 79.435 794 1HB ALA 113 1HB ALA 113 54.115 98.460 79.875 795 2HB ALA 113 2HB ALA 113 54.139 99.540 78.481 796 3HB ALA 113 3HB ALA 113 53.949 100.201 80.104 797 HA PRO 114 HA PRO 114 58.444 102.385 77.825 798 1HB PRO 114 1HB PRO 114 59.905 101.096 75.923 799 2HB PRO 114 2HB PRO 114 60.422 101.212 77.617 800 1HG PRO 114 1HG PRO 114 59.105 98.954 76.195 801 2HG PRO 114 2HG PRO 114 60.426 98.928 77.376 802 1HD PRO 114 1HD PRO 114 57.877 98.326 78.032 803 2HD PRO 114 2HD PRO 114 59.006 99.091 79.170 804 H ILE 115 H ILE 115 57.945 103.607 76.134 805 HA ILE 115 HA ILE 115 56.028 102.526 74.094 806 HB ILE 115 HB ILE 115 56.570 105.367 75.033 807 1HG1 ILE 115 1HG1 ILE 115 54.191 103.596 75.667 808 2HG1 ILE 115 2HG1 ILE 115 55.561 103.799 76.759 809 1HG2 ILE 115 1HG2 ILE 115 54.095 105.399 73.942 810 2HG2 ILE 115 2HG2 ILE 115 54.836 104.136 72.958 811 3HG2 ILE 115 3HG2 ILE 115 55.554 105.745 73.016 812 1HD1 ILE 115 1HD1 ILE 115 55.084 106.372 76.372 813 2HD1 ILE 115 2HD1 ILE 115 54.138 105.458 77.547 814 3HD1 ILE 115 3HD1 ILE 115 53.473 105.791 75.948 815 H ALA 116 H ALA 116 56.947 102.218 72.131 816 HA ALA 116 HA ALA 116 59.558 102.706 71.318 817 1HB ALA 116 1HB ALA 116 57.030 102.786 69.645 818 2HB ALA 116 2HB ALA 116 57.866 101.322 70.164 819 3HB ALA 116 3HB ALA 116 58.650 102.434 69.042 820 H ALA 117 H ALA 117 60.458 104.281 69.768 821 HA ALA 117 HA ALA 117 59.503 107.037 70.330 822 1HB ALA 117 1HB ALA 117 62.042 106.073 68.991 823 2HB ALA 117 2HB ALA 117 61.862 106.148 70.743 824 3HB ALA 117 3HB ALA 117 61.767 107.624 69.783 825 H PHE 118 H PHE 118 58.226 107.945 68.768 826 HA PHE 118 HA PHE 118 58.651 107.134 65.916 827 1HB PHE 118 1HB PHE 118 56.295 107.901 65.629 828 2HB PHE 118 2HB PHE 118 56.424 106.620 66.830 829 HD1 PHE 118 HD1 PHE 118 56.009 107.045 69.180 830 HD2 PHE 118 HD2 PHE 118 55.912 110.242 66.314 831 HE1 PHE 118 HE1 PHE 118 54.939 108.519 70.862 832 HE2 PHE 118 HE2 PHE 118 54.843 111.717 67.997 833 HZ PHE 118 HZ PHE 118 54.356 110.855 70.269 834 H VAL 119 H VAL 119 58.270 109.047 64.355 835 HA VAL 119 HA VAL 119 59.421 111.528 65.581 836 HB VAL 119 HB VAL 119 59.587 110.406 62.760 837 1HG1 VAL 119 1HG1 VAL 119 61.342 112.168 62.478 838 2HG1 VAL 119 2HG1 VAL 119 60.902 112.811 64.061 839 3HG1 VAL 119 3HG1 VAL 119 59.732 112.839 62.742 840 1HG2 VAL 119 1HG2 VAL 119 61.994 110.054 63.385 841 2HG2 VAL 119 2HG2 VAL 119 60.880 109.057 64.321 842 3HG2 VAL 119 3HG2 VAL 119 61.587 110.503 65.042 843 H LEU 120 H LEU 120 58.618 113.556 64.807 844 HA LEU 120 HA LEU 120 55.867 113.414 63.619 845 1HB LEU 120 1HB LEU 120 57.216 115.318 65.559 846 2HB LEU 120 2HB LEU 120 55.665 115.677 64.805 847 HG LEU 120 HG LEU 120 54.827 113.463 65.733 848 1HD1 LEU 120 1HD1 LEU 120 57.599 113.498 66.788 849 2HD1 LEU 120 2HD1 LEU 120 56.549 112.129 66.426 850 3HD1 LEU 120 3HD1 LEU 120 56.350 113.017 67.936 851 1HD2 LEU 120 1HD2 LEU 120 54.355 114.409 67.908 852 2HD2 LEU 120 2HD2 LEU 120 54.398 115.735 66.746 853 3HD2 LEU 120 3HD2 LEU 120 55.773 115.454 67.814 854 H SER 121 H SER 121 55.624 114.411 61.647 855 HA SER 121 HA SER 121 57.389 116.648 60.850 856 1HB SER 121 1HB SER 121 57.380 113.883 59.629 857 2HB SER 121 2HB SER 121 57.930 115.290 58.723 858 HG SER 121 HG SER 121 59.292 113.859 60.451 Start of MODEL 7 1 H ARG 6 1H ARG 6 56.358 86.105 82.049 2 HA ARG 6 HA ARG 6 53.998 86.171 81.895 3 1HB ARG 6 1HB ARG 6 54.404 86.671 84.860 4 2HB ARG 6 2HB ARG 6 52.853 86.275 84.120 5 1HG ARG 6 1HG ARG 6 53.788 84.149 83.285 6 2HG ARG 6 2HG ARG 6 55.340 84.542 84.028 7 1HD ARG 6 1HD ARG 6 54.133 84.687 86.257 8 2HD ARG 6 2HD ARG 6 52.707 84.012 85.443 9 HE ARG 6 HE ARG 6 54.224 82.079 84.771 10 1HH1 ARG 6 2HH1 ARG 6 56.731 83.384 85.886 11 2HH1 ARG 6 1HH1 ARG 6 56.916 82.538 87.387 12 1HH2 ARG 6 1HH2 ARG 6 53.679 81.295 87.389 13 2HH2 ARG 6 2HH2 ARG 6 55.188 81.355 88.237 14 H TYR 7 H TYR 7 55.835 88.773 82.045 15 HA TYR 7 HA TYR 7 53.549 90.694 82.328 16 1HB TYR 7 1HB TYR 7 56.503 91.008 82.953 17 2HB TYR 7 2HB TYR 7 55.304 92.294 83.092 18 HD1 TYR 7 HD1 TYR 7 53.029 91.324 84.360 19 HD2 TYR 7 HD2 TYR 7 57.081 90.045 84.986 20 HE1 TYR 7 HE1 TYR 7 52.422 90.513 86.623 21 HE2 TYR 7 HE2 TYR 7 56.475 89.233 87.250 22 HH TYR 7 HH TYR 7 54.791 89.591 88.940 23 H ARG 8 H ARG 8 53.035 91.528 80.375 24 HA ARG 8 HA ARG 8 55.126 92.511 78.523 25 1HB ARG 8 1HB ARG 8 54.799 90.041 78.097 26 2HB ARG 8 2HB ARG 8 53.123 90.396 77.683 27 1HG ARG 8 1HG ARG 8 53.863 91.902 75.889 28 2HG ARG 8 2HG ARG 8 55.547 91.599 76.316 29 1HD ARG 8 1HD ARG 8 53.648 89.364 75.546 30 2HD ARG 8 2HD ARG 8 54.671 90.205 74.364 31 HE ARG 8 HE ARG 8 56.055 89.216 76.776 32 1HH1 ARG 8 2HH1 ARG 8 55.086 86.827 75.278 33 2HH1 ARG 8 1HH1 ARG 8 56.377 86.543 74.159 34 1HH2 ARG 8 1HH2 ARG 8 57.769 89.693 74.554 35 2HH2 ARG 8 2HH2 ARG 8 57.896 88.165 73.749 36 H VAL 9 H VAL 9 54.394 94.323 77.534 37 HA VAL 9 HA VAL 9 51.501 94.736 76.989 38 HB VAL 9 HB VAL 9 53.198 96.482 78.815 39 1HG1 VAL 9 1HG1 VAL 9 51.812 98.076 77.905 40 2HG1 VAL 9 2HG1 VAL 9 50.686 97.426 79.096 41 3HG1 VAL 9 3HG1 VAL 9 50.599 96.891 77.417 42 1HG2 VAL 9 1HG2 VAL 9 51.303 95.860 80.441 43 2HG2 VAL 9 2HG2 VAL 9 52.475 94.596 80.075 44 3HG2 VAL 9 3HG2 VAL 9 50.892 94.585 79.295 45 H GLU 10 H GLU 10 51.553 95.356 74.896 46 HA GLU 10 HA GLU 10 53.771 97.113 73.855 47 1HB GLU 10 1HB GLU 10 53.343 94.849 72.847 48 2HB GLU 10 2HB GLU 10 51.702 95.378 72.471 49 1HG GLU 10 1HG GLU 10 53.091 95.704 70.502 50 2HG GLU 10 2HG GLU 10 52.672 97.284 71.166 51 H VAL 11 H VAL 11 53.289 99.153 73.444 52 HA VAL 11 HA VAL 11 50.407 99.940 73.178 53 HB VAL 11 HB VAL 11 52.805 101.460 74.263 54 1HG1 VAL 11 1HG1 VAL 11 51.296 103.231 74.801 55 2HG1 VAL 11 2HG1 VAL 11 49.886 102.243 74.416 56 3HG1 VAL 11 3HG1 VAL 11 50.948 102.806 73.125 57 1HG2 VAL 11 1HG2 VAL 11 50.569 99.890 75.516 58 2HG2 VAL 11 2HG2 VAL 11 51.232 101.281 76.374 59 3HG2 VAL 11 3HG2 VAL 11 52.279 99.928 75.946 60 H GLU 12 H GLU 12 49.869 101.184 71.351 61 HA GLU 12 HA GLU 12 52.116 101.957 69.509 62 1HB GLU 12 1HB GLU 12 50.770 99.993 68.791 63 2HB GLU 12 2HB GLU 12 49.308 100.975 68.897 64 1HG GLU 12 1HG GLU 12 50.216 102.520 67.200 65 2HG GLU 12 2HG GLU 12 51.678 101.543 67.090 66 H VAL 13 H VAL 13 52.075 104.068 68.824 67 HA VAL 13 HA VAL 13 49.616 105.707 69.371 68 HB VAL 13 HB VAL 13 52.542 106.409 69.799 69 1HG1 VAL 13 1HG1 VAL 13 51.473 108.438 69.248 70 2HG1 VAL 13 2HG1 VAL 13 51.401 108.400 71.010 71 3HG1 VAL 13 3HG1 VAL 13 49.977 107.974 70.060 72 1HG2 VAL 13 1HG2 VAL 13 51.862 106.483 72.208 73 2HG2 VAL 13 2HG2 VAL 13 51.731 104.868 71.510 74 3HG2 VAL 13 3HG2 VAL 13 50.283 105.847 71.747 75 H SER 14 H SER 14 48.992 107.028 67.713 76 HA SER 14 HA SER 14 50.858 107.315 65.387 77 1HB SER 14 1HB SER 14 49.078 105.663 64.991 78 2HB SER 14 2HB SER 14 47.858 106.851 65.441 79 HG SER 14 HG SER 14 49.030 106.457 63.074 80 HA PRO 15 HA PRO 15 49.582 111.565 66.401 81 1HB PRO 15 1HB PRO 15 51.849 112.794 65.535 82 2HB PRO 15 2HB PRO 15 51.731 112.033 67.135 83 1HG PRO 15 1HG PRO 15 52.998 111.015 64.646 84 2HG PRO 15 2HG PRO 15 53.537 110.878 66.327 85 1HD PRO 15 1HD PRO 15 52.322 108.855 64.973 86 2HD PRO 15 2HD PRO 15 52.234 109.049 66.736 87 H ARG 16 H ARG 16 49.281 113.488 65.036 88 HA ARG 16 HA ARG 16 49.576 113.211 62.110 89 1HB ARG 16 1HB ARG 16 47.112 113.338 61.766 90 2HB ARG 16 2HB ARG 16 47.581 111.864 62.609 91 1HG ARG 16 1HG ARG 16 47.015 112.932 64.772 92 2HG ARG 16 2HG ARG 16 46.509 114.385 63.910 93 1HD ARG 16 1HD ARG 16 45.308 111.695 63.237 94 2HD ARG 16 2HD ARG 16 44.649 112.699 64.544 95 HE ARG 16 HE ARG 16 44.866 114.511 62.513 96 1HH1 ARG 16 1HH2 ARG 16 42.240 113.202 63.384 97 2HH1 ARG 16 2HH2 ARG 16 41.639 112.630 61.864 98 1HH2 ARG 16 2HH1 ARG 16 44.683 112.963 60.236 99 2HH2 ARG 16 1HH1 ARG 16 43.022 112.495 60.081 100 H PHE 17 H PHE 17 49.864 115.182 61.267 101 HA PHE 17 HA PHE 17 50.037 117.570 62.804 102 1HB PHE 17 1HB PHE 17 51.188 117.056 60.669 103 2HB PHE 17 2HB PHE 17 49.648 117.195 59.822 104 HD1 PHE 17 HD1 PHE 17 51.971 119.094 62.055 105 HD2 PHE 17 HD2 PHE 17 48.890 119.295 59.070 106 HE1 PHE 17 HE1 PHE 17 52.284 121.549 61.897 107 HE2 PHE 17 HE2 PHE 17 49.203 121.750 58.912 108 HZ PHE 17 HZ PHE 17 50.899 122.877 60.326 109 H LEU 18 H LEU 18 48.574 119.237 63.188 110 HA LEU 18 HA LEU 18 45.787 118.955 62.071 111 1HB LEU 18 1HB LEU 18 46.832 119.980 64.730 112 2HB LEU 18 2HB LEU 18 45.156 120.139 64.216 113 HG LEU 18 HG LEU 18 46.632 117.503 64.451 114 1HD1 LEU 18 1HD1 LEU 18 45.078 119.138 66.381 115 2HD1 LEU 18 2HD1 LEU 18 46.324 117.927 66.678 116 3HD1 LEU 18 3HD1 LEU 18 44.671 117.423 66.327 117 1HD2 LEU 18 1HD2 LEU 18 44.892 117.237 62.861 118 2HD2 LEU 18 2HD2 LEU 18 43.807 118.309 63.746 119 3HD2 LEU 18 3HD2 LEU 18 44.168 116.703 64.378 120 H ALA 19 H ALA 19 46.494 120.212 60.258 121 HA ALA 19 HA ALA 19 47.468 122.957 60.397 122 1HB ALA 19 1HB ALA 19 47.284 121.087 58.508 123 2HB ALA 19 2HB ALA 19 47.270 122.805 58.109 124 3HB ALA 19 3HB ALA 19 45.755 121.907 58.192 125 H HIS 20 H HIS 20 44.209 121.509 60.320 126 HA HIS 20 HA HIS 20 42.825 124.001 59.881 127 1HB HIS 20 1HB HIS 20 41.948 121.707 59.428 128 2HB HIS 20 2HB HIS 20 41.878 121.417 61.166 129 HD1 HIS 20 HD1 HIS 20 40.529 123.967 58.662 130 HD2 HIS 20 HD2 HIS 20 39.468 122.179 62.276 131 HE1 HIS 20 HE1 HIS 20 38.211 124.816 59.227 132 H GLN 21 H GLN 21 44.139 122.500 62.757 133 HA GLN 21 HA GLN 21 42.806 124.621 64.415 134 1HB GLN 21 1HB GLN 21 42.183 122.148 64.708 135 2HB GLN 21 2HB GLN 21 43.808 121.928 65.359 136 1HG GLN 21 1HG GLN 21 43.360 123.637 67.079 137 2HG GLN 21 2HG GLN 21 41.737 123.870 66.427 138 1HE2 GLN 21 1HE2 GLN 21 42.421 122.882 69.147 139 2HE2 GLN 21 2HE2 GLN 21 41.741 121.333 69.270 140 H SER 22 H SER 22 45.351 125.012 63.043 141 HA SER 22 HA SER 22 47.005 125.684 65.387 142 1HB SER 22 1HB SER 22 48.834 124.269 64.806 143 2HB SER 22 2HB SER 22 47.405 123.246 64.713 144 HG SER 22 HG SER 22 49.168 123.847 62.803 145 H THR 23 H THR 23 48.600 127.268 64.884 146 HA THR 23 HA THR 23 48.539 128.325 62.075 147 HB THR 23 HB THR 23 47.355 129.792 63.629 148 HG1 THR 23 HG1 THR 23 48.514 130.960 62.207 149 1HG2 THR 23 1HG2 THR 23 47.934 129.818 65.800 150 2HG2 THR 23 2HG2 THR 23 49.394 130.705 65.365 151 3HG2 THR 23 3HG2 THR 23 49.423 128.945 65.452 152 HA PRO 24 HA PRO 24 52.813 126.996 62.995 153 1HB PRO 24 1HB PRO 24 53.587 126.730 60.389 154 2HB PRO 24 2HB PRO 24 52.728 125.457 61.280 155 1HG PRO 24 1HG PRO 24 51.673 127.440 59.329 156 2HG PRO 24 2HG PRO 24 51.276 125.725 59.522 157 1HD PRO 24 1HD PRO 24 49.692 127.720 60.446 158 2HD PRO 24 2HD PRO 24 49.790 126.122 61.217 159 H ASP 25 H ASP 25 51.573 129.578 60.962 160 HA ASP 25 HA ASP 25 54.084 130.844 60.372 161 1HB ASP 25 1HB ASP 25 51.215 131.810 60.542 162 2HB ASP 25 2HB ASP 25 52.528 132.834 59.960 163 H GLU 26 H GLU 26 52.138 130.802 63.270 164 HA GLU 26 HA GLU 26 53.675 133.114 64.388 165 1HB GLU 26 1HB GLU 26 51.126 131.672 65.157 166 2HB GLU 26 2HB GLU 26 51.858 132.922 66.162 167 1HG GLU 26 1HG GLU 26 51.716 134.518 64.284 168 2HG GLU 26 2HG GLU 26 50.982 133.271 63.278 169 H GLY 27 H GLY 27 54.589 130.168 64.082 170 1HA GLY 27 1HA GLY 27 55.956 128.731 65.336 171 2HA GLY 27 2HA GLY 27 56.005 129.979 66.581 172 H ARG 28 H ARG 28 52.964 128.715 65.443 173 HA ARG 28 HA ARG 28 52.617 127.270 68.051 174 1HB ARG 28 1HB ARG 28 51.030 129.272 66.543 175 2HB ARG 28 2HB ARG 28 50.102 127.966 67.283 176 1HG ARG 28 1HG ARG 28 51.166 128.444 69.459 177 2HG ARG 28 2HG ARG 28 52.087 129.755 68.718 178 1HD ARG 28 1HD ARG 28 49.877 130.809 68.050 179 2HD ARG 28 2HD ARG 28 49.077 129.594 69.069 180 HE ARG 28 HE ARG 28 50.214 130.531 71.008 181 1HH1 ARG 28 2HH1 ARG 28 49.176 132.874 69.147 182 2HH1 ARG 28 1HH1 ARG 28 50.469 134.002 69.384 183 1HH2 ARG 28 1HH2 ARG 28 52.585 131.673 70.843 184 2HH2 ARG 28 2HH2 ARG 28 52.400 133.322 70.346 185 H TYR 29 H TYR 29 53.112 125.172 67.201 186 HA TYR 29 HA TYR 29 51.429 124.211 64.916 187 1HB TYR 29 1HB TYR 29 53.885 123.009 66.244 188 2HB TYR 29 2HB TYR 29 53.133 122.457 64.751 189 HD1 TYR 29 HD1 TYR 29 55.048 125.206 66.326 190 HD2 TYR 29 HD2 TYR 29 53.494 123.603 62.658 191 HE1 TYR 29 HE1 TYR 29 56.428 126.814 65.040 192 HE2 TYR 29 HE2 TYR 29 54.876 125.211 61.372 193 HH TYR 29 HH TYR 29 55.951 127.409 61.733 194 H ALA 30 H ALA 30 49.877 122.677 65.330 195 HA ALA 30 HA ALA 30 49.735 121.619 68.127 196 1HB ALA 30 1HB ALA 30 47.987 123.242 66.951 197 2HB ALA 30 2HB ALA 30 47.438 121.969 68.041 198 3HB ALA 30 3HB ALA 30 47.366 121.728 66.295 199 H PHE 31 H PHE 31 50.118 119.448 68.277 200 HA PHE 31 HA PHE 31 49.501 117.709 65.906 201 1HB PHE 31 1HB PHE 31 51.597 117.555 68.094 202 2HB PHE 31 2HB PHE 31 51.307 116.257 66.938 203 HD1 PHE 31 HD1 PHE 31 52.441 119.760 67.325 204 HD2 PHE 31 HD2 PHE 31 52.016 116.433 64.642 205 HE1 PHE 31 HE1 PHE 31 53.898 120.902 65.677 206 HE2 PHE 31 HE2 PHE 31 53.471 117.578 62.992 207 HZ PHE 31 HZ PHE 31 54.412 119.813 63.509 208 H ALA 32 H ALA 32 48.013 116.037 66.296 209 HA ALA 32 HA ALA 32 47.184 115.568 69.140 210 1HB ALA 32 1HB ALA 32 45.145 114.618 67.713 211 2HB ALA 32 2HB ALA 32 45.814 115.676 66.472 212 3HB ALA 32 3HB ALA 32 45.293 116.349 68.018 213 H TYR 33 H TYR 33 47.565 113.484 69.902 214 HA TYR 33 HA TYR 33 48.195 111.401 67.836 215 1HB TYR 33 1HB TYR 33 50.025 110.658 69.230 216 2HB TYR 33 2HB TYR 33 50.174 112.396 69.012 217 HD1 TYR 33 HD1 TYR 33 49.905 109.715 71.377 218 HD2 TYR 33 HD2 TYR 33 49.246 113.927 70.879 219 HE1 TYR 33 HE1 TYR 33 49.924 110.005 73.835 220 HE2 TYR 33 HE2 TYR 33 49.256 114.215 73.342 221 HH TYR 33 HH TYR 33 48.801 111.904 75.471 222 H SER 34 H SER 34 47.428 109.311 68.232 223 HA SER 34 HA SER 34 45.450 109.054 70.461 224 1HB SER 34 1HB SER 34 44.670 108.774 68.129 225 2HB SER 34 2HB SER 34 45.875 107.516 67.873 226 HG SER 34 HG SER 34 43.440 107.261 68.849 227 H ILE 35 H ILE 35 45.739 107.452 71.993 228 HA ILE 35 HA ILE 35 48.293 105.852 71.892 229 HB ILE 35 HB ILE 35 46.471 106.703 74.154 230 1HG1 ILE 35 1HG1 ILE 35 49.218 107.708 73.333 231 2HG1 ILE 35 2HG1 ILE 35 47.706 108.566 73.032 232 1HG2 ILE 35 1HG2 ILE 35 47.623 104.669 74.762 233 2HG2 ILE 35 2HG2 ILE 35 48.482 106.001 75.535 234 3HG2 ILE 35 3HG2 ILE 35 49.138 105.258 74.075 235 1HD1 ILE 35 1HD1 ILE 35 49.261 108.849 75.293 236 2HD1 ILE 35 2HD1 ILE 35 48.027 107.709 75.824 237 3HD1 ILE 35 3HD1 ILE 35 47.555 109.281 75.177 238 H ARG 36 H ARG 36 48.189 103.714 71.795 239 HA ARG 36 HA ARG 36 45.588 102.340 72.359 240 1HB ARG 36 1HB ARG 36 47.714 101.880 70.249 241 2HB ARG 36 2HB ARG 36 46.420 100.724 70.572 242 1HG ARG 36 1HG ARG 36 44.742 102.468 70.091 243 2HG ARG 36 2HG ARG 36 46.033 103.623 69.764 244 1HD ARG 36 1HD ARG 36 46.846 102.204 67.906 245 2HD ARG 36 2HD ARG 36 45.538 101.048 68.227 246 HE ARG 36 HE ARG 36 44.160 103.396 67.992 247 1HH1 ARG 36 2HH1 ARG 36 44.217 101.286 65.810 248 2HH1 ARG 36 1HH1 ARG 36 44.727 102.222 64.444 249 1HH2 ARG 36 1HH2 ARG 36 45.856 104.885 66.355 250 2HH2 ARG 36 2HH2 ARG 36 45.655 104.259 64.753 251 H ILE 37 H ILE 37 46.067 101.634 74.431 252 HA ILE 37 HA ILE 37 48.646 100.306 75.069 253 HB ILE 37 HB ILE 37 46.145 100.911 76.679 254 1HG1 ILE 37 1HG1 ILE 37 48.810 102.357 76.667 255 2HG1 ILE 37 2HG1 ILE 37 47.420 102.891 75.721 256 1HG2 ILE 37 1HG2 ILE 37 47.684 99.058 77.516 257 2HG2 ILE 37 2HG2 ILE 37 47.454 100.410 78.624 258 3HG2 ILE 37 3HG2 ILE 37 48.936 100.291 77.674 259 1HD1 ILE 37 1HD1 ILE 37 46.241 102.574 78.142 260 2HD1 ILE 37 2HD1 ILE 37 46.956 104.096 77.610 261 3HD1 ILE 37 3HD1 ILE 37 47.873 103.008 78.652 262 H GLN 38 H GLN 38 48.826 98.153 74.607 263 HA GLN 38 HA GLN 38 46.385 96.418 74.880 264 1HB GLN 38 1HB GLN 38 47.261 96.675 72.562 265 2HB GLN 38 2HB GLN 38 48.846 96.128 73.112 266 1HG GLN 38 1HG GLN 38 47.866 93.967 73.795 267 2HG GLN 38 2HG GLN 38 46.281 94.512 73.240 268 1HE2 GLN 38 1HE2 GLN 38 45.951 93.210 71.393 269 2HE2 GLN 38 2HE2 GLN 38 47.021 93.146 70.076 270 H ASN 39 H ASN 39 46.517 94.847 76.367 271 HA ASN 39 HA ASN 39 49.073 94.523 77.828 272 1HB ASN 39 1HB ASN 39 46.895 95.037 78.975 273 2HB ASN 39 2HB ASN 39 46.295 93.462 78.450 274 1HD2 ASN 39 1HD2 ASN 39 49.130 94.855 80.206 275 2HD2 ASN 39 2HD2 ASN 39 49.267 93.563 81.299 276 H ALA 40 H ALA 40 50.377 92.820 77.206 277 HA ALA 40 HA ALA 40 49.059 90.351 76.117 278 1HB ALA 40 1HB ALA 40 51.695 91.718 75.499 279 2HB ALA 40 2HB ALA 40 50.318 91.523 74.415 280 3HB ALA 40 3HB ALA 40 51.269 90.118 74.893 281 H GLY 41 H GLY 41 50.090 91.277 78.960 282 1HA GLY 41 1HA GLY 41 52.221 89.343 79.500 283 2HA GLY 41 2HA GLY 41 51.415 90.359 80.695 284 H ALA 42 H ALA 42 51.728 87.913 81.606 285 HA ALA 42 HA ALA 42 49.522 86.125 80.844 286 1HB ALA 42 1HB ALA 42 52.047 85.780 81.759 287 2HB ALA 42 2HB ALA 42 50.783 84.566 81.947 288 3HB ALA 42 3HB ALA 42 51.153 85.664 83.274 289 H VAL 43 H VAL 43 50.496 88.079 83.626 290 HA VAL 43 HA VAL 43 47.884 87.554 84.969 291 HB VAL 43 HB VAL 43 50.478 88.891 85.841 292 1HG1 VAL 43 1HG1 VAL 43 49.598 88.982 88.058 293 2HG1 VAL 43 2HG1 VAL 43 48.200 87.999 87.621 294 3HG1 VAL 43 3HG1 VAL 43 48.339 89.653 87.021 295 1HG2 VAL 43 1HG2 VAL 43 50.876 86.561 85.570 296 2HG2 VAL 43 2HG2 VAL 43 49.303 86.135 86.243 297 3HG2 VAL 43 3HG2 VAL 43 50.567 86.774 87.293 298 HA PRO 44 HA PRO 44 46.131 91.324 83.547 299 1HB PRO 44 1HB PRO 44 44.659 92.061 85.744 300 2HB PRO 44 2HB PRO 44 44.147 90.808 84.593 301 1HG PRO 44 1HG PRO 44 45.521 90.500 87.229 302 2HG PRO 44 2HG PRO 44 44.134 89.610 86.574 303 1HD PRO 44 1HD PRO 44 46.567 88.546 86.516 304 2HD PRO 44 2HD PRO 44 45.453 88.334 85.150 305 H ALA 45 H ALA 45 46.619 93.519 83.684 306 HA ALA 45 HA ALA 45 48.211 94.504 86.030 307 1HB ALA 45 1HB ALA 45 49.119 95.298 83.334 308 2HB ALA 45 2HB ALA 45 49.332 93.590 83.716 309 3HB ALA 45 3HB ALA 45 50.058 94.821 84.749 310 H ARG 46 H ARG 46 48.130 96.751 86.312 311 HA ARG 46 HA ARG 46 46.183 98.252 84.589 312 1HB ARG 46 1HB ARG 46 45.400 99.296 86.701 313 2HB ARG 46 2HB ARG 46 45.225 97.544 86.757 314 1HG ARG 46 1HG ARG 46 47.318 97.351 88.029 315 2HG ARG 46 2HG ARG 46 47.536 99.100 87.953 316 1HD ARG 46 1HD ARG 46 45.324 99.360 89.142 317 2HD ARG 46 2HD ARG 46 45.304 97.599 89.365 318 HE ARG 46 HE ARG 46 47.456 99.386 90.437 319 1HH1 ARG 46 1HH2 ARG 46 47.759 96.309 89.991 320 2HH1 ARG 46 2HH2 ARG 46 47.510 95.751 91.612 321 1HH2 ARG 46 2HH1 ARG 46 46.189 98.758 92.726 322 2HH2 ARG 46 1HH1 ARG 46 46.620 97.137 93.161 323 H LEU 47 H LEU 47 46.658 100.556 84.399 324 HA LEU 47 HA LEU 47 49.541 101.177 84.765 325 1HB LEU 47 1HB LEU 47 48.166 101.478 82.613 326 2HB LEU 47 2HB LEU 47 47.376 102.825 83.434 327 HG LEU 47 HG LEU 47 50.384 102.635 83.250 328 1HD1 LEU 47 1HD1 LEU 47 49.984 104.384 81.353 329 2HD1 LEU 47 2HD1 LEU 47 48.390 103.640 81.231 330 3HD1 LEU 47 3HD1 LEU 47 49.839 102.670 80.968 331 1HD2 LEU 47 1HD2 LEU 47 49.821 104.277 84.813 332 2HD2 LEU 47 2HD2 LEU 47 48.338 104.716 83.966 333 3HD2 LEU 47 3HD2 LEU 47 49.902 105.224 83.327 334 H VAL 48 H VAL 48 50.078 102.176 86.652 335 HA VAL 48 HA VAL 48 48.024 103.789 88.084 336 HB VAL 48 HB VAL 48 49.593 103.506 89.991 337 1HG1 VAL 48 1HG1 VAL 48 49.029 100.919 88.514 338 2HG1 VAL 48 2HG1 VAL 48 47.847 101.804 89.478 339 3HG1 VAL 48 3HG1 VAL 48 49.268 101.101 90.252 340 1HG2 VAL 48 1HG2 VAL 48 51.617 103.384 88.367 341 2HG2 VAL 48 2HG2 VAL 48 51.204 101.677 88.214 342 3HG2 VAL 48 3HG2 VAL 48 51.637 102.341 89.788 343 H ALA 49 H ALA 49 51.092 104.125 86.386 344 HA ALA 49 HA ALA 49 50.921 107.063 86.903 345 1HB ALA 49 1HB ALA 49 53.640 106.529 86.982 346 2HB ALA 49 2HB ALA 49 52.937 105.138 87.808 347 3HB ALA 49 3HB ALA 49 52.604 106.768 88.389 348 H ARG 50 H ARG 50 52.275 108.340 85.410 349 HA ARG 50 HA ARG 50 53.082 107.004 82.843 350 1HB ARG 50 1HB ARG 50 51.728 108.619 81.615 351 2HB ARG 50 2HB ARG 50 50.700 107.730 82.735 352 1HG ARG 50 1HG ARG 50 51.021 109.644 84.378 353 2HG ARG 50 2HG ARG 50 51.775 110.542 83.061 354 1HD ARG 50 1HD ARG 50 49.196 109.307 82.327 355 2HD ARG 50 2HD ARG 50 49.076 110.563 83.575 356 HE ARG 50 HE ARG 50 50.255 110.958 80.862 357 1HH1 ARG 50 2HH1 ARG 50 51.207 112.512 83.437 358 2HH1 ARG 50 1HH1 ARG 50 50.362 114.003 83.191 359 1HH2 ARG 50 1HH2 ARG 50 48.274 112.720 80.737 360 2HH2 ARG 50 2HH2 ARG 50 48.700 114.121 81.662 361 H HIS 51 H HIS 51 54.837 107.937 81.920 362 HA HIS 51 HA HIS 51 55.728 110.650 82.795 363 1HB HIS 51 1HB HIS 51 56.732 109.012 84.325 364 2HB HIS 51 2HB HIS 51 57.302 108.058 82.959 365 HD1 HIS 51 HD1 HIS 51 59.742 108.489 84.032 366 HD2 HIS 51 HD2 HIS 51 57.845 111.844 82.446 367 HE1 HIS 51 HE1 HIS 51 61.534 110.253 83.739 368 H TRP 52 H TRP 52 55.875 111.697 80.877 369 HA TRP 52 HA TRP 52 56.809 110.242 78.432 370 1HB TRP 52 1HB TRP 52 55.146 112.653 79.087 371 2HB TRP 52 2HB TRP 52 55.920 112.552 77.505 372 HD1 TRP 52 HD1 TRP 52 52.999 111.291 79.442 373 HE1 TRP 52 HE1 TRP 52 51.692 109.563 78.043 374 HE3 TRP 52 HE3 TRP 52 56.326 110.536 75.644 375 HZ2 TRP 52 HZ2 TRP 52 52.019 108.060 75.628 376 HZ3 TRP 52 HZ3 TRP 52 55.806 108.951 73.811 377 HH2 TRP 52 HH2 TRP 52 53.657 107.713 73.799 378 H GLN 53 H GLN 53 58.720 110.766 77.486 379 HA GLN 53 HA GLN 53 60.295 113.082 78.572 380 1HB GLN 53 1HB GLN 53 61.050 110.374 77.438 381 2HB GLN 53 2HB GLN 53 62.234 111.641 77.764 382 1HG GLN 53 1HG GLN 53 61.529 111.690 80.130 383 2HG GLN 53 2HG GLN 53 60.349 110.419 79.804 384 1HE2 GLN 53 1HE2 GLN 53 63.873 110.964 79.172 385 2HE2 GLN 53 2HE2 GLN 53 64.338 109.392 79.613 386 H ILE 54 H ILE 54 59.170 114.457 76.901 387 HA ILE 54 HA ILE 54 59.557 113.788 74.070 388 HB ILE 54 HB ILE 54 58.173 115.686 73.674 389 1HG1 ILE 54 1HG1 ILE 54 58.642 116.605 76.528 390 2HG1 ILE 54 2HG1 ILE 54 59.447 117.294 75.123 391 1HG2 ILE 54 1HG2 ILE 54 57.376 113.676 75.373 392 2HG2 ILE 54 2HG2 ILE 54 56.302 114.875 74.653 393 3HG2 ILE 54 3HG2 ILE 54 56.929 115.119 76.282 394 1HD1 ILE 54 1HD1 ILE 54 57.549 118.690 75.615 395 2HD1 ILE 54 2HD1 ILE 54 56.478 117.291 75.691 396 3HD1 ILE 54 3HD1 ILE 54 57.179 117.782 74.150 397 H THR 55 H THR 55 61.264 114.348 72.853 398 HA THR 55 HA THR 55 63.035 116.605 73.751 399 HB THR 55 HB THR 55 63.750 113.973 72.384 400 HG1 THR 55 HG1 THR 55 63.825 113.288 74.347 401 1HG2 THR 55 1HG2 THR 55 66.059 115.164 73.421 402 2HG2 THR 55 2HG2 THR 55 65.181 116.493 72.663 403 3HG2 THR 55 3HG2 THR 55 65.605 115.064 71.720 404 H ASP 56 H ASP 56 63.277 118.184 72.306 405 HA ASP 56 HA ASP 56 61.959 117.880 69.692 406 1HB ASP 56 1HB ASP 56 61.657 119.802 71.342 407 2HB ASP 56 2HB ASP 56 63.283 120.321 70.897 408 H GLY 57 H GLY 57 63.065 118.958 67.790 409 1HA GLY 57 1HA GLY 57 65.511 117.644 67.166 410 2HA GLY 57 2HA GLY 57 64.775 118.919 66.205 411 H ASN 58 H ASN 58 65.178 120.405 69.136 412 HA ASN 58 HA ASN 58 67.823 121.488 68.279 413 1HB ASN 58 1HB ASN 58 65.696 122.903 68.645 414 2HB ASN 58 2HB ASN 58 65.932 122.601 70.367 415 1HD2 ASN 58 1HD2 ASN 58 66.391 124.928 70.694 416 2HD2 ASN 58 2HD2 ASN 58 67.889 125.579 70.236 417 H GLY 59 H GLY 59 66.823 119.094 70.250 418 1HA GLY 59 1HA GLY 59 68.252 117.899 71.762 419 2HA GLY 59 2HA GLY 59 69.205 119.365 71.977 420 H ARG 60 H ARG 60 66.686 120.971 72.488 421 HA ARG 60 HA ARG 60 66.644 120.767 75.351 422 1HB ARG 60 1HB ARG 60 65.373 122.287 73.189 423 2HB ARG 60 2HB ARG 60 64.272 122.014 74.536 424 1HG ARG 60 1HG ARG 60 65.279 123.762 75.555 425 2HG ARG 60 2HG ARG 60 66.669 122.704 75.787 426 1HD ARG 60 1HD ARG 60 67.343 124.820 74.679 427 2HD ARG 60 2HD ARG 60 67.573 123.445 73.581 428 HE ARG 60 HE ARG 60 65.609 124.132 72.356 429 1HH1 ARG 60 1HH2 ARG 60 66.893 126.813 72.640 430 2HH1 ARG 60 2HH2 ARG 60 65.595 127.780 73.257 431 1HH2 ARG 60 2HH1 ARG 60 63.673 125.058 74.219 432 2HH2 ARG 60 1HH1 ARG 60 63.772 126.786 74.152 433 H THR 61 H THR 61 65.208 119.635 76.726 434 HA THR 61 HA THR 61 63.113 118.003 75.361 435 HB THR 61 HB THR 61 63.813 116.089 76.754 436 HG1 THR 61 HG1 THR 61 65.845 117.836 77.675 437 1HG2 THR 61 1HG2 THR 61 65.140 117.028 74.583 438 2HG2 THR 61 2HG2 THR 61 65.567 115.526 75.403 439 3HG2 THR 61 3HG2 THR 61 66.451 117.008 75.762 440 H GLU 62 H GLU 62 61.237 117.560 76.681 441 HA GLU 62 HA GLU 62 61.102 119.112 79.247 442 1HB GLU 62 1HB GLU 62 59.100 118.674 77.013 443 2HB GLU 62 2HB GLU 62 58.662 119.380 78.569 444 1HG GLU 62 1HG GLU 62 60.835 120.472 76.760 445 2HG GLU 62 2HG GLU 62 59.186 121.096 76.816 446 H GLN 63 H GLN 63 60.806 117.772 80.955 447 HA GLN 63 HA GLN 63 59.757 115.011 80.518 448 1HB GLN 63 1HB GLN 63 61.957 115.560 81.646 449 2HB GLN 63 2HB GLN 63 61.023 116.291 82.952 450 1HG GLN 63 1HG GLN 63 59.854 114.149 83.317 451 2HG GLN 63 2HG GLN 63 60.795 113.416 82.019 452 1HE2 GLN 63 1HE2 GLN 63 62.312 112.073 83.019 453 2HE2 GLN 63 2HE2 GLN 63 63.291 112.528 84.327 454 H VAL 64 H VAL 64 57.775 114.419 81.315 455 HA VAL 64 HA VAL 64 56.406 116.270 83.242 456 HB VAL 64 HB VAL 64 55.263 114.797 80.838 457 1HG1 VAL 64 1HG1 VAL 64 53.303 116.446 81.455 458 2HG1 VAL 64 2HG1 VAL 64 54.036 116.406 83.059 459 3HG1 VAL 64 3HG1 VAL 64 53.460 114.914 82.317 460 1HG2 VAL 64 1HG2 VAL 64 56.659 116.754 80.243 461 2HG2 VAL 64 2HG2 VAL 64 55.716 117.758 81.343 462 3HG2 VAL 64 3HG2 VAL 64 54.956 117.066 79.911 463 H ASP 65 H ASP 65 55.669 115.282 85.016 464 HA ASP 65 HA ASP 65 55.339 112.292 85.025 465 1HB ASP 65 1HB ASP 65 56.526 114.223 87.040 466 2HB ASP 65 2HB ASP 65 56.149 112.543 87.423 467 H GLY 66 H GLY 66 53.276 111.698 85.608 468 1HA GLY 66 1HA GLY 66 51.785 113.346 87.556 469 2HA GLY 66 2HA GLY 66 51.045 113.151 85.966 470 H GLU 67 H GLU 67 50.216 112.129 88.674 471 HA GLU 67 HA GLU 67 50.595 109.256 88.718 472 1HB GLU 67 1HB GLU 67 50.029 110.738 90.659 473 2HB GLU 67 2HB GLU 67 48.431 110.990 89.953 474 1HG GLU 67 1HG GLU 67 48.278 109.219 91.614 475 2HG GLU 67 2HG GLU 67 48.069 108.513 90.011 476 H GLY 68 H GLY 68 48.974 107.640 88.199 477 1HA GLY 68 1HA GLY 68 47.452 106.651 86.727 478 2HA GLY 68 2HA GLY 68 46.422 108.009 87.162 479 H VAL 69 H VAL 69 45.742 107.518 84.847 480 HA VAL 69 HA VAL 69 47.321 109.229 82.946 481 HB VAL 69 HB VAL 69 46.512 107.592 81.185 482 1HG1 VAL 69 1HG1 VAL 69 48.139 105.732 82.040 483 2HG1 VAL 69 2HG1 VAL 69 48.433 106.852 83.371 484 3HG1 VAL 69 3HG1 VAL 69 48.772 107.346 81.713 485 1HG2 VAL 69 1HG2 VAL 69 44.690 106.600 82.604 486 2HG2 VAL 69 2HG2 VAL 69 45.933 105.832 83.591 487 3HG2 VAL 69 3HG2 VAL 69 45.755 105.388 81.894 488 H VAL 70 H VAL 70 46.158 110.831 82.172 489 HA VAL 70 HA VAL 70 44.360 112.311 81.969 490 HB VAL 70 HB VAL 70 42.761 111.502 80.313 491 1HG1 VAL 70 1HG1 VAL 70 45.087 109.870 79.490 492 2HG1 VAL 70 2HG1 VAL 70 45.452 111.529 79.964 493 3HG1 VAL 70 3HG1 VAL 70 44.298 111.216 78.667 494 1HG2 VAL 70 1HG2 VAL 70 42.263 109.347 81.524 495 2HG2 VAL 70 2HG2 VAL 70 43.768 108.699 80.872 496 3HG2 VAL 70 3HG2 VAL 70 42.466 109.172 79.783 497 H GLY 71 H GLY 71 44.390 110.959 84.516 498 1HA GLY 71 1HA GLY 71 43.002 111.223 86.405 499 2HA GLY 71 2HA GLY 71 41.654 111.577 85.337 500 H GLU 72 H GLU 72 43.362 108.602 84.673 501 HA GLU 72 HA GLU 72 41.439 107.071 86.365 502 1HB GLU 72 1HB GLU 72 40.671 105.789 84.388 503 2HB GLU 72 2HB GLU 72 40.288 107.505 84.257 504 1HG GLU 72 1HG GLU 72 42.112 107.881 82.758 505 2HG GLU 72 2HG GLU 72 42.773 106.276 83.050 506 H GLN 73 H GLN 73 42.003 104.939 86.774 507 HA GLN 73 HA GLN 73 44.790 104.070 86.007 508 1HB GLN 73 1HB GLN 73 43.054 103.708 88.472 509 2HB GLN 73 2HB GLN 73 44.564 102.832 88.216 510 1HG GLN 73 1HG GLN 73 45.835 104.876 88.167 511 2HG GLN 73 2HG GLN 73 44.366 105.852 88.141 512 1HE2 GLN 73 1HE2 GLN 73 44.296 106.869 90.164 513 2HE2 GLN 73 2HE2 GLN 73 44.478 106.069 91.650 514 HA PRO 74 HA PRO 74 41.429 101.329 84.152 515 1HB PRO 74 1HB PRO 74 42.896 100.615 81.961 516 2HB PRO 74 2HB PRO 74 41.864 102.059 82.017 517 1HG PRO 74 1HG PRO 74 44.811 101.827 82.366 518 2HG PRO 74 2HG PRO 74 43.871 103.047 81.492 519 1HD PRO 74 1HD PRO 74 44.901 103.485 83.952 520 2HD PRO 74 2HD PRO 74 43.392 104.237 83.393 521 H TRP 75 H TRP 75 41.359 99.118 84.401 522 HA TRP 75 HA TRP 75 43.809 97.756 85.426 523 1HB TRP 75 1HB TRP 75 41.427 97.958 86.559 524 2HB TRP 75 2HB TRP 75 41.015 96.646 85.457 525 HD1 TRP 75 HD1 TRP 75 43.573 97.490 88.216 526 HE1 TRP 75 HE1 TRP 75 44.323 95.286 89.324 527 HE3 TRP 75 HE3 TRP 75 41.109 94.132 85.260 528 HZ2 TRP 75 HZ2 TRP 75 43.927 92.472 89.001 529 HZ3 TRP 75 HZ3 TRP 75 41.311 91.699 85.684 530 HH2 TRP 75 HH2 TRP 75 42.717 90.865 87.549 531 H LEU 76 H LEU 76 44.540 97.662 83.080 532 HA LEU 76 HA LEU 76 43.117 96.281 81.041 533 1HB LEU 76 1HB LEU 76 45.905 97.109 81.636 534 2HB LEU 76 2HB LEU 76 45.711 95.869 80.398 535 HG LEU 76 HG LEU 76 44.249 98.527 80.424 536 1HD1 LEU 76 1HD1 LEU 76 46.362 97.695 78.452 537 2HD1 LEU 76 2HD1 LEU 76 46.825 98.433 79.986 538 3HD1 LEU 76 3HD1 LEU 76 45.801 99.317 78.855 539 1HD2 LEU 76 1HD2 LEU 76 42.869 97.235 79.111 540 2HD2 LEU 76 2HD2 LEU 76 44.138 96.065 78.748 541 3HD2 LEU 76 3HD2 LEU 76 44.086 97.606 77.891 542 H ARG 77 H ARG 77 42.469 94.203 81.051 543 HA ARG 77 HA ARG 77 43.836 92.163 82.700 544 1HB ARG 77 1HB ARG 77 41.305 92.455 81.109 545 2HB ARG 77 2HB ARG 77 41.885 90.829 81.470 546 1HG ARG 77 1HG ARG 77 41.723 91.161 83.803 547 2HG ARG 77 2HG ARG 77 41.647 92.915 83.635 548 1HD ARG 77 1HD ARG 77 39.397 92.240 84.091 549 2HD ARG 77 2HD ARG 77 39.438 92.501 82.336 550 HE ARG 77 HE ARG 77 40.086 89.923 82.355 551 1HH1 ARG 77 2HH1 ARG 77 39.390 89.495 85.194 552 2HH1 ARG 77 1HH1 ARG 77 37.719 89.042 85.118 553 1HH2 ARG 77 1HH2 ARG 77 37.265 90.245 81.898 554 2HH2 ARG 77 2HH2 ARG 77 36.517 89.467 83.253 555 HA PRO 78 HA PRO 78 46.356 90.525 79.497 556 1HB PRO 78 1HB PRO 78 45.791 87.847 79.423 557 2HB PRO 78 2HB PRO 78 46.802 88.590 80.679 558 1HG PRO 78 1HG PRO 78 43.934 87.801 80.780 559 2HG PRO 78 2HG PRO 78 45.196 87.636 82.013 560 1HD PRO 78 1HD PRO 78 43.325 89.593 82.084 561 2HD PRO 78 2HD PRO 78 44.963 89.801 82.736 562 H GLY 79 H GLY 79 46.062 90.705 77.354 563 1HA GLY 79 1HA GLY 79 45.130 90.186 75.209 564 2HA GLY 79 2HA GLY 79 43.771 89.408 76.015 565 H GLU 80 H GLU 80 43.644 92.039 77.746 566 HA GLU 80 HA GLU 80 41.736 93.397 75.942 567 1HB GLU 80 1HB GLU 80 41.493 92.795 78.468 568 2HB GLU 80 2HB GLU 80 42.516 94.208 78.744 569 1HG GLU 80 1HG GLU 80 40.929 95.640 77.569 570 2HG GLU 80 2HG GLU 80 39.932 94.246 77.155 571 H ALA 81 H ALA 81 41.814 95.815 75.788 572 HA ALA 81 HA ALA 81 44.537 96.980 76.049 573 1HB ALA 81 1HB ALA 81 42.872 96.885 73.511 574 2HB ALA 81 2HB ALA 81 44.336 95.948 73.811 575 3HB ALA 81 3HB ALA 81 44.424 97.704 73.681 576 H PHE 82 H PHE 82 44.498 99.280 76.212 577 HA PHE 82 HA PHE 82 41.774 100.512 76.490 578 1HB PHE 82 1HB PHE 82 43.005 100.208 78.611 579 2HB PHE 82 2HB PHE 82 44.387 101.072 77.939 580 HD1 PHE 82 HD1 PHE 82 44.460 103.453 77.910 581 HD2 PHE 82 HD2 PHE 82 40.799 101.424 78.871 582 HE1 PHE 82 HE1 PHE 82 43.444 105.609 78.596 583 HE2 PHE 82 HE2 PHE 82 39.783 103.579 79.555 584 HZ PHE 82 HZ PHE 82 41.106 105.672 79.417 585 H HIS 83 H HIS 83 41.512 102.559 75.432 586 HA HIS 83 HA HIS 83 43.905 103.787 74.145 587 1HB HIS 83 1HB HIS 83 42.729 103.744 71.957 588 2HB HIS 83 2HB HIS 83 43.025 102.121 72.574 589 HD1 HIS 83 HD1 HIS 83 40.927 100.904 73.717 590 HD2 HIS 83 HD2 HIS 83 40.029 104.368 71.580 591 HE1 HIS 83 HE1 HIS 83 38.424 100.880 73.336 592 H TYR 84 H TYR 84 43.722 106.012 73.918 593 HA TYR 84 HA TYR 84 41.087 107.314 74.053 594 1HB TYR 84 1HB TYR 84 41.544 108.542 76.083 595 2HB TYR 84 2HB TYR 84 41.800 106.836 76.422 596 HD1 TYR 84 HD1 TYR 84 43.372 110.122 76.063 597 HD2 TYR 84 HD2 TYR 84 44.088 105.937 76.709 598 HE1 TYR 84 HE1 TYR 84 45.663 110.638 76.858 599 HE2 TYR 84 HE2 TYR 84 46.382 106.453 77.500 600 HH TYR 84 HH TYR 84 47.371 109.506 78.389 601 H THR 85 H THR 85 41.308 109.696 73.631 602 HA THR 85 HA THR 85 43.600 110.176 71.790 603 HB THR 85 HB THR 85 41.004 111.681 72.233 604 HG1 THR 85 HG1 THR 85 40.289 109.901 71.352 605 1HG2 THR 85 1HG2 THR 85 41.522 112.491 69.889 606 2HG2 THR 85 2HG2 THR 85 43.130 111.793 70.083 607 3HG2 THR 85 3HG2 THR 85 42.603 113.102 71.142 608 H SER 86 H SER 86 45.121 111.742 72.171 609 HA SER 86 HA SER 86 44.737 113.524 74.553 610 1HB SER 86 1HB SER 86 46.326 111.841 75.094 611 2HB SER 86 2HB SER 86 47.115 111.975 73.523 612 HG SER 86 HG SER 86 47.026 113.930 75.586 613 H GLY 87 H GLY 87 46.241 115.565 74.322 614 1HA GLY 87 1HA GLY 87 46.791 116.245 71.475 615 2HA GLY 87 2HA GLY 87 45.771 117.329 72.420 616 H VAL 88 H VAL 88 48.779 117.113 71.291 617 HA VAL 88 HA VAL 88 49.962 118.603 73.615 618 HB VAL 88 HB VAL 88 51.182 116.452 71.843 619 1HG1 VAL 88 1HG1 VAL 88 53.000 117.897 72.113 620 2HG1 VAL 88 2HG1 VAL 88 53.156 116.872 73.539 621 3HG1 VAL 88 3HG1 VAL 88 52.436 118.475 73.681 622 1HG2 VAL 88 1HG2 VAL 88 51.156 115.084 73.712 623 2HG2 VAL 88 2HG2 VAL 88 49.708 116.039 74.024 624 3HG2 VAL 88 3HG2 VAL 88 51.220 116.441 74.836 625 H LEU 89 H LEU 89 51.413 120.295 72.982 626 HA LEU 89 HA LEU 89 51.127 121.132 70.119 627 1HB LEU 89 1HB LEU 89 51.460 123.417 71.055 628 2HB LEU 89 2HB LEU 89 50.079 122.594 71.777 629 HG LEU 89 HG LEU 89 52.500 121.983 73.267 630 1HD1 LEU 89 1HD1 LEU 89 53.109 124.152 74.064 631 2HD1 LEU 89 2HD1 LEU 89 51.753 124.915 73.231 632 3HD1 LEU 89 3HD1 LEU 89 53.107 124.267 72.304 633 1HD2 LEU 89 1HD2 LEU 89 51.089 123.019 75.111 634 2HD2 LEU 89 2HD2 LEU 89 50.316 121.696 74.237 635 3HD2 LEU 89 3HD2 LEU 89 49.873 123.365 73.881 636 H LEU 90 H LEU 90 52.973 121.742 68.965 637 HA LEU 90 HA LEU 90 55.607 121.303 70.332 638 1HB LEU 90 1HB LEU 90 54.710 120.704 67.494 639 2HB LEU 90 2HB LEU 90 56.343 120.441 68.107 640 HG LEU 90 HG LEU 90 53.845 119.169 69.266 641 1HD1 LEU 90 1HD1 LEU 90 55.904 117.491 67.965 642 2HD1 LEU 90 2HD1 LEU 90 54.992 118.523 66.865 643 3HD1 LEU 90 3HD1 LEU 90 54.147 117.373 67.898 644 1HD2 LEU 90 1HD2 LEU 90 56.808 118.910 69.838 645 2HD2 LEU 90 2HD2 LEU 90 55.639 117.690 70.346 646 3HD2 LEU 90 3HD2 LEU 90 55.521 119.338 70.966 647 H GLU 91 H GLU 91 57.304 122.803 69.746 648 HA GLU 91 HA GLU 91 56.399 125.424 68.829 649 1HB GLU 91 1HB GLU 91 58.082 124.932 70.641 650 2HB GLU 91 2HB GLU 91 59.190 124.376 69.386 651 1HG GLU 91 1HG GLU 91 59.695 126.701 69.896 652 2HG GLU 91 2HG GLU 91 58.985 126.615 68.283 653 H THR 92 H THR 92 58.052 122.668 67.385 654 HA THR 92 HA THR 92 58.347 124.256 64.854 655 HB THR 92 HB THR 92 60.347 122.820 64.443 656 HG1 THR 92 HG1 THR 92 60.649 121.149 65.653 657 1HG2 THR 92 1HG2 THR 92 60.272 124.296 67.086 658 2HG2 THR 92 2HG2 THR 92 60.705 124.967 65.513 659 3HG2 THR 92 3HG2 THR 92 61.754 123.777 66.285 660 H GLU 93 H GLU 93 58.470 122.703 62.895 661 HA GLU 93 HA GLU 93 56.103 120.961 62.966 662 1HB GLU 93 1HB GLU 93 58.066 121.793 60.811 663 2HB GLU 93 2HB GLU 93 56.594 120.868 60.511 664 1HG GLU 93 1HG GLU 93 55.246 122.701 61.464 665 2HG GLU 93 2HG GLU 93 56.717 123.628 61.761 666 H GLN 94 H GLN 94 59.113 120.273 64.027 667 HA GLN 94 HA GLN 94 58.928 117.471 63.047 668 1HB GLN 94 1HB GLN 94 61.398 117.524 62.657 669 2HB GLN 94 2HB GLN 94 60.527 118.657 61.625 670 1HG GLN 94 1HG GLN 94 61.038 120.478 63.258 671 2HG GLN 94 2HG GLN 94 62.000 119.330 64.191 672 1HE2 GLN 94 1HE2 GLN 94 64.103 120.173 63.788 673 2HE2 GLN 94 2HE2 GLN 94 64.779 120.290 62.235 674 H GLY 95 H GLY 95 59.648 115.932 64.689 675 1HA GLY 95 1HA GLY 95 61.268 116.648 66.921 676 2HA GLY 95 2HA GLY 95 59.587 116.830 67.400 677 H GLN 96 H GLN 96 61.479 115.018 68.496 678 HA GLN 96 HA GLN 96 60.301 112.336 67.766 679 1HB GLN 96 1HB GLN 96 62.709 112.662 67.230 680 2HB GLN 96 2HB GLN 96 63.011 113.078 68.917 681 1HG GLN 96 1HG GLN 96 62.200 110.856 69.617 682 2HG GLN 96 2HG GLN 96 61.901 110.434 67.931 683 1HE2 GLN 96 1HE2 GLN 96 63.532 108.966 67.377 684 2HE2 GLN 96 2HE2 GLN 96 65.187 109.207 67.672 685 H MET 97 H MET 97 59.149 111.409 69.430 686 HA MET 97 HA MET 97 59.635 112.432 72.212 687 1HB MET 97 1HB MET 97 57.569 113.263 71.092 688 2HB MET 97 2HB MET 97 57.030 111.593 70.908 689 1HG MET 97 1HG MET 97 57.199 111.326 73.396 690 2HG MET 97 2HG MET 97 57.561 113.046 73.510 691 1HE MET 97 1HE MET 97 54.669 114.981 72.871 692 2HE MET 97 2HE MET 97 55.301 114.470 71.307 693 3HE MET 97 3HE MET 97 56.409 114.763 72.644 694 H GLN 98 H GLN 98 60.270 110.794 73.597 695 HA GLN 98 HA GLN 98 59.341 107.987 73.046 696 1HB GLN 98 1HB GLN 98 61.939 109.034 74.234 697 2HB GLN 98 2HB GLN 98 61.538 107.336 73.981 698 1HG GLN 98 1HG GLN 98 61.152 108.069 71.499 699 2HG GLN 98 2HG GLN 98 62.148 109.455 71.939 700 1HE2 GLN 98 1HE2 GLN 98 63.938 108.692 70.580 701 2HE2 GLN 98 2HE2 GLN 98 64.885 107.363 71.047 702 H GLY 99 H GLY 99 58.689 106.831 75.003 703 1HA GLY 99 1HA GLY 99 59.053 108.096 77.611 704 2HA GLY 99 2HA GLY 99 57.406 108.273 77.015 705 H HIS 100 H HIS 100 57.547 106.936 79.280 706 HA HIS 100 HA HIS 100 57.030 104.119 78.457 707 1HB HIS 100 1HB HIS 100 58.294 103.345 80.439 708 2HB HIS 100 2HB HIS 100 59.316 104.246 79.324 709 HD1 HIS 100 HD1 HIS 100 60.524 106.237 80.253 710 HD2 HIS 100 HD2 HIS 100 57.434 104.980 82.755 711 HE1 HIS 100 HE1 HIS 100 60.727 107.598 82.379 712 H TYR 101 H TYR 101 55.615 102.985 79.946 713 HA TYR 101 HA TYR 101 53.890 104.818 81.570 714 1HB TYR 101 1HB TYR 101 53.415 102.408 79.830 715 2HB TYR 101 2HB TYR 101 52.258 102.795 81.098 716 HD1 TYR 101 HD1 TYR 101 52.279 105.778 81.052 717 HD2 TYR 101 HD2 TYR 101 52.328 102.934 77.827 718 HE1 TYR 101 HE1 TYR 101 51.229 107.452 79.559 719 HE2 TYR 101 HE2 TYR 101 51.276 104.613 76.336 720 HH TYR 101 HH TYR 101 49.717 107.259 77.365 721 H ASP 102 H ASP 102 53.774 104.329 83.801 722 HA ASP 102 HA ASP 102 55.218 101.953 84.803 723 1HB ASP 102 1HB ASP 102 55.285 104.282 85.829 724 2HB ASP 102 2HB ASP 102 53.585 104.070 86.252 725 H MET 103 H MET 103 54.265 100.075 85.015 726 HA MET 103 HA MET 103 51.277 99.928 85.357 727 1HB MET 103 1HB MET 103 52.641 99.190 83.192 728 2HB MET 103 2HB MET 103 52.935 97.745 84.159 729 1HG MET 103 1HG MET 103 50.739 97.088 84.102 730 2HG MET 103 2HG MET 103 50.138 98.744 84.108 731 1HE MET 103 1HE MET 103 49.054 99.478 80.876 732 2HE MET 103 2HE MET 103 50.434 100.360 81.526 733 3HE MET 103 3HE MET 103 49.190 99.759 82.618 734 H VAL 104 H VAL 104 50.564 98.004 86.585 735 HA VAL 104 HA VAL 104 52.651 96.778 88.340 736 HB VAL 104 HB VAL 104 51.042 97.220 90.269 737 1HG1 VAL 104 1HG1 VAL 104 52.355 99.531 88.820 738 2HG1 VAL 104 2HG1 VAL 104 53.077 98.503 90.058 739 3HG1 VAL 104 3HG1 VAL 104 51.772 99.612 90.483 740 1HG2 VAL 104 1HG2 VAL 104 49.031 97.736 88.973 741 2HG2 VAL 104 2HG2 VAL 104 49.837 99.109 88.218 742 3HG2 VAL 104 3HG2 VAL 104 49.479 99.136 89.944 743 H ALA 105 H ALA 105 52.289 94.596 88.533 744 HA ALA 105 HA ALA 105 49.995 93.295 87.282 745 1HB ALA 105 1HB ALA 105 51.140 91.295 87.974 746 2HB ALA 105 2HB ALA 105 52.017 92.161 89.235 747 3HB ALA 105 3HB ALA 105 52.394 92.454 87.537 748 H ASP 106 H ASP 106 48.591 91.753 88.549 749 HA ASP 106 HA ASP 106 47.219 93.120 90.680 750 1HB ASP 106 1HB ASP 106 46.321 91.430 89.018 751 2HB ASP 106 2HB ASP 106 47.139 90.177 89.951 752 H ASP 107 H ASP 107 49.780 90.685 90.642 753 HA ASP 107 HA ASP 107 49.547 89.988 93.458 754 1HB ASP 107 1HB ASP 107 51.640 89.596 91.307 755 2HB ASP 107 2HB ASP 107 51.794 88.917 92.927 756 H GLY 108 H GLY 108 50.692 92.810 91.967 757 1HA GLY 108 1HA GLY 108 51.502 94.643 93.354 758 2HA GLY 108 2HA GLY 108 52.278 93.457 94.400 759 H THR 109 H THR 109 53.027 92.200 91.518 760 HA THR 109 HA THR 109 55.758 92.933 91.530 761 HB THR 109 HB THR 109 54.020 92.070 89.195 762 HG1 THR 109 HG1 THR 109 53.749 90.427 90.478 763 1HG2 THR 109 1HG2 THR 109 56.966 92.203 89.694 764 2HG2 THR 109 2HG2 THR 109 56.065 92.517 88.210 765 3HG2 THR 109 3HG2 THR 109 56.337 90.857 88.743 766 H GLU 110 H GLU 110 56.839 94.745 90.709 767 HA GLU 110 HA GLU 110 55.172 96.801 89.340 768 1HB GLU 110 1HB GLU 110 56.367 97.356 91.445 769 2HB GLU 110 2HB GLU 110 57.899 96.951 90.670 770 1HG GLU 110 1HG GLU 110 57.518 98.719 88.988 771 2HG GLU 110 2HG GLU 110 55.988 99.127 89.763 772 H PHE 111 H PHE 111 55.676 97.516 87.286 773 HA PHE 111 HA PHE 111 58.243 97.016 85.995 774 1HB PHE 111 1HB PHE 111 57.490 95.336 84.433 775 2HB PHE 111 2HB PHE 111 57.050 94.770 86.041 776 HD1 PHE 111 HD1 PHE 111 55.822 95.972 82.815 777 HD2 PHE 111 HD2 PHE 111 54.682 94.867 86.806 778 HE1 PHE 111 HE1 PHE 111 53.456 95.821 82.095 779 HE2 PHE 111 HE2 PHE 111 52.314 94.716 86.085 780 HZ PHE 111 HZ PHE 111 51.704 95.193 83.728 781 H ILE 112 H ILE 112 58.472 98.296 84.171 782 HA ILE 112 HA ILE 112 56.229 100.183 83.627 783 HB ILE 112 HB ILE 112 58.056 101.586 82.697 784 1HG1 ILE 112 1HG1 ILE 112 59.988 99.477 83.673 785 2HG1 ILE 112 2HG1 ILE 112 59.414 99.488 82.005 786 1HG2 ILE 112 1HG2 ILE 112 57.467 101.338 85.231 787 2HG2 ILE 112 2HG2 ILE 112 58.942 102.193 84.779 788 3HG2 ILE 112 3HG2 ILE 112 59.027 100.522 85.338 789 1HD1 ILE 112 1HD1 ILE 112 60.269 101.741 81.674 790 2HD1 ILE 112 2HD1 ILE 112 61.567 100.731 82.312 791 3HD1 ILE 112 3HD1 ILE 112 60.720 101.855 83.375 792 H ALA 113 H ALA 113 55.810 100.798 81.376 793 HA ALA 113 HA ALA 113 56.465 98.638 79.397 794 1HB ALA 113 1HB ALA 113 54.192 99.577 78.431 795 2HB ALA 113 2HB ALA 113 53.974 100.197 80.067 796 3HB ALA 113 3HB ALA 113 54.152 98.463 79.798 797 HA PRO 114 HA PRO 114 58.463 102.480 77.920 798 1HB PRO 114 1HB PRO 114 60.061 101.244 76.091 799 2HB PRO 114 2HB PRO 114 60.487 101.379 77.810 800 1HG PRO 114 1HG PRO 114 59.329 99.074 76.325 801 2HG PRO 114 2HG PRO 114 60.582 99.096 77.577 802 1HD PRO 114 1HD PRO 114 58.019 98.407 78.090 803 2HD PRO 114 2HD PRO 114 59.062 99.199 79.290 804 H ILE 115 H ILE 115 58.041 103.673 76.172 805 HA ILE 115 HA ILE 115 56.229 102.537 74.061 806 HB ILE 115 HB ILE 115 56.670 105.400 74.987 807 1HG1 ILE 115 1HG1 ILE 115 54.309 103.581 75.550 808 2HG1 ILE 115 2HG1 ILE 115 55.628 103.830 76.694 809 1HG2 ILE 115 1HG2 ILE 115 54.489 104.186 73.268 810 2HG2 ILE 115 2HG2 ILE 115 55.860 105.104 72.643 811 3HG2 ILE 115 3HG2 ILE 115 54.673 105.890 73.684 812 1HD1 ILE 115 1HD1 ILE 115 55.113 106.383 76.266 813 2HD1 ILE 115 2HD1 ILE 115 54.124 105.460 77.398 814 3HD1 ILE 115 3HD1 ILE 115 53.538 105.770 75.763 815 H ALA 116 H ALA 116 57.209 102.250 72.133 816 HA ALA 116 HA ALA 116 59.843 102.791 71.413 817 1HB ALA 116 1HB ALA 116 58.697 101.370 69.991 818 2HB ALA 116 2HB ALA 116 58.674 102.843 69.019 819 3HB ALA 116 3HB ALA 116 57.257 102.389 69.967 820 H ALA 117 H ALA 117 60.647 104.359 69.707 821 HA ALA 117 HA ALA 117 59.759 107.103 70.373 822 1HB ALA 117 1HB ALA 117 62.054 106.322 68.591 823 2HB ALA 117 2HB ALA 117 62.166 106.050 70.330 824 3HB ALA 117 3HB ALA 117 61.932 107.683 69.706 825 H PHE 118 H PHE 118 58.309 108.059 69.031 826 HA PHE 118 HA PHE 118 58.299 107.303 66.129 827 1HB PHE 118 1HB PHE 118 55.916 108.137 66.228 828 2HB PHE 118 2HB PHE 118 56.215 106.731 67.243 829 HD1 PHE 118 HD1 PHE 118 56.201 106.896 69.671 830 HD2 PHE 118 HD2 PHE 118 55.592 110.366 67.215 831 HE1 PHE 118 HE1 PHE 118 55.392 108.154 71.648 832 HE2 PHE 118 HE2 PHE 118 54.785 111.626 69.193 833 HZ PHE 118 HZ PHE 118 54.684 110.517 71.409 834 H VAL 119 H VAL 119 57.874 109.197 64.641 835 HA VAL 119 HA VAL 119 58.951 111.730 65.833 836 HB VAL 119 HB VAL 119 59.196 110.575 63.033 837 1HG1 VAL 119 1HG1 VAL 119 60.842 112.403 62.703 838 2HG1 VAL 119 2HG1 VAL 119 60.452 113.029 64.304 839 3HG1 VAL 119 3HG1 VAL 119 59.228 113.034 63.034 840 1HG2 VAL 119 1HG2 VAL 119 60.478 109.399 64.872 841 2HG2 VAL 119 2HG2 VAL 119 61.323 110.918 65.169 842 3HG2 VAL 119 3HG2 VAL 119 61.495 110.101 63.615 843 H LEU 120 H LEU 120 58.067 113.702 65.055 844 HA LEU 120 HA LEU 120 55.359 113.457 63.781 845 1HB LEU 120 1HB LEU 120 56.555 115.398 65.785 846 2HB LEU 120 2HB LEU 120 55.013 115.687 64.987 847 HG LEU 120 HG LEU 120 54.266 113.417 65.869 848 1HD1 LEU 120 1HD1 LEU 120 55.713 113.020 68.115 849 2HD1 LEU 120 2HD1 LEU 120 56.986 113.623 67.053 850 3HD1 LEU 120 3HD1 LEU 120 56.060 112.192 66.598 851 1HD2 LEU 120 1HD2 LEU 120 55.018 115.389 68.038 852 2HD2 LEU 120 2HD2 LEU 120 53.608 114.331 67.981 853 3HD2 LEU 120 3HD2 LEU 120 53.729 115.700 66.875 854 H SER 121 H SER 121 55.124 114.486 61.823 855 HA SER 121 HA SER 121 56.834 116.792 61.110 856 1HB SER 121 1HB SER 121 57.597 115.560 59.045 857 2HB SER 121 2HB SER 121 58.231 114.889 60.545 858 HG SER 121 HG SER 121 56.989 113.571 58.740 Start of MODEL 8 1 H ARG 6 1H ARG 6 55.017 85.875 81.103 2 HA ARG 6 HA ARG 6 52.951 86.411 82.126 3 1HB ARG 6 1HB ARG 6 55.020 86.826 84.300 4 2HB ARG 6 2HB ARG 6 53.284 86.822 84.617 5 1HG ARG 6 1HG ARG 6 53.112 84.552 83.666 6 2HG ARG 6 2HG ARG 6 54.849 84.552 83.352 7 1HD ARG 6 1HD ARG 6 55.296 84.798 85.773 8 2HD ARG 6 2HD ARG 6 53.550 84.788 86.092 9 HE ARG 6 HE ARG 6 54.447 82.511 84.489 10 1HH1 ARG 6 2HH1 ARG 6 52.155 82.529 86.468 11 2HH1 ARG 6 1HH1 ARG 6 52.797 81.557 87.750 12 1HH2 ARG 6 1HH2 ARG 6 56.076 81.804 86.652 13 2HH2 ARG 6 2HH2 ARG 6 55.016 81.147 87.853 14 H TYR 7 H TYR 7 55.503 88.822 82.253 15 HA TYR 7 HA TYR 7 53.452 90.981 82.604 16 1HB TYR 7 1HB TYR 7 56.458 90.932 83.046 17 2HB TYR 7 2HB TYR 7 55.413 92.319 83.350 18 HD1 TYR 7 HD1 TYR 7 53.109 91.414 84.688 19 HD2 TYR 7 HD2 TYR 7 57.104 89.870 85.012 20 HE1 TYR 7 HE1 TYR 7 52.583 90.523 86.940 21 HE2 TYR 7 HE2 TYR 7 56.577 88.979 87.265 22 HH TYR 7 HH TYR 7 54.668 88.336 88.586 23 H ARG 8 H ARG 8 52.842 91.515 80.523 24 HA ARG 8 HA ARG 8 54.921 92.620 78.710 25 1HB ARG 8 1HB ARG 8 53.570 90.044 78.429 26 2HB ARG 8 2HB ARG 8 53.258 91.088 77.042 27 1HG ARG 8 1HG ARG 8 56.065 90.959 78.044 28 2HG ARG 8 2HG ARG 8 55.447 89.545 77.190 29 1HD ARG 8 1HD ARG 8 55.470 90.618 75.179 30 2HD ARG 8 2HD ARG 8 54.784 92.101 75.869 31 HE ARG 8 HE ARG 8 57.325 92.045 76.938 32 1HH1 ARG 8 1HH2 ARG 8 55.857 93.135 74.171 33 2HH1 ARG 8 2HH2 ARG 8 57.296 93.230 73.211 34 1HH2 ARG 8 2HH1 ARG 8 59.270 91.572 75.528 35 2HH2 ARG 8 1HH1 ARG 8 59.227 92.345 73.980 36 H VAL 9 H VAL 9 54.155 94.457 77.784 37 HA VAL 9 HA VAL 9 51.264 94.826 77.216 38 HB VAL 9 HB VAL 9 52.877 96.587 79.102 39 1HG1 VAL 9 1HG1 VAL 9 51.430 98.156 78.295 40 2HG1 VAL 9 2HG1 VAL 9 50.259 97.351 79.340 41 3HG1 VAL 9 3HG1 VAL 9 50.335 96.945 77.627 42 1HG2 VAL 9 1HG2 VAL 9 51.015 95.857 80.713 43 2HG2 VAL 9 2HG2 VAL 9 52.224 94.635 80.315 44 3HG2 VAL 9 3HG2 VAL 9 50.640 94.594 79.539 45 H GLU 10 H GLU 10 51.352 95.486 75.136 46 HA GLU 10 HA GLU 10 53.531 97.352 74.214 47 1HB GLU 10 1HB GLU 10 51.772 95.238 72.963 48 2HB GLU 10 2HB GLU 10 52.577 96.460 71.977 49 1HG GLU 10 1HG GLU 10 54.759 95.783 72.910 50 2HG GLU 10 2HG GLU 10 53.958 94.558 73.894 51 H VAL 11 H VAL 11 52.979 99.356 73.771 52 HA VAL 11 HA VAL 11 50.075 100.037 73.435 53 HB VAL 11 HB VAL 11 52.401 101.662 74.529 54 1HG1 VAL 11 1HG1 VAL 11 49.564 102.291 73.858 55 2HG1 VAL 11 2HG1 VAL 11 50.987 103.333 73.818 56 3HG1 VAL 11 3HG1 VAL 11 50.203 102.968 75.356 57 1HG2 VAL 11 1HG2 VAL 11 50.275 99.956 75.771 58 2HG2 VAL 11 2HG2 VAL 11 50.746 101.434 76.609 59 3HG2 VAL 11 3HG2 VAL 11 51.951 100.193 76.267 60 H GLU 12 H GLU 12 49.525 101.250 71.603 61 HA GLU 12 HA GLU 12 51.764 102.008 69.744 62 1HB GLU 12 1HB GLU 12 50.384 100.049 69.069 63 2HB GLU 12 2HB GLU 12 48.937 101.054 69.173 64 1HG GLU 12 1HG GLU 12 49.856 102.561 67.446 65 2HG GLU 12 2HG GLU 12 51.301 101.558 67.339 66 H VAL 13 H VAL 13 51.724 104.088 68.993 67 HA VAL 13 HA VAL 13 49.324 105.794 69.597 68 HB VAL 13 HB VAL 13 52.283 106.451 69.816 69 1HG1 VAL 13 1HG1 VAL 13 49.767 108.068 70.254 70 2HG1 VAL 13 2HG1 VAL 13 51.150 108.459 69.233 71 3HG1 VAL 13 3HG1 VAL 13 51.307 108.519 70.988 72 1HG2 VAL 13 1HG2 VAL 13 51.417 106.787 72.301 73 2HG2 VAL 13 2HG2 VAL 13 51.891 105.188 71.727 74 3HG2 VAL 13 3HG2 VAL 13 50.186 105.630 71.796 75 H SER 14 H SER 14 48.619 107.029 67.921 76 HA SER 14 HA SER 14 50.354 107.174 65.482 77 1HB SER 14 1HB SER 14 47.350 106.822 65.731 78 2HB SER 14 2HB SER 14 48.227 106.960 64.209 79 HG SER 14 HG SER 14 48.509 104.892 64.393 80 HA PRO 15 HA PRO 15 49.263 111.483 66.424 81 1HB PRO 15 1HB PRO 15 51.543 112.620 65.466 82 2HB PRO 15 2HB PRO 15 51.443 111.903 67.086 83 1HG PRO 15 1HG PRO 15 52.614 110.788 64.593 84 2HG PRO 15 2HG PRO 15 53.187 110.668 66.264 85 1HD PRO 15 1HD PRO 15 51.869 108.662 64.974 86 2HD PRO 15 2HD PRO 15 51.842 108.885 66.735 87 H ARG 16 H ARG 16 48.969 113.372 65.034 88 HA ARG 16 HA ARG 16 49.186 113.046 62.105 89 1HB ARG 16 1HB ARG 16 46.722 113.258 61.818 90 2HB ARG 16 2HB ARG 16 47.151 111.781 62.680 91 1HG ARG 16 1HG ARG 16 46.682 112.915 64.831 92 2HG ARG 16 2HG ARG 16 46.209 114.368 63.952 93 1HD ARG 16 1HD ARG 16 44.406 113.101 62.820 94 2HD ARG 16 2HD ARG 16 44.869 111.648 63.729 95 HE ARG 16 HE ARG 16 44.330 114.061 65.343 96 1HH1 ARG 16 2HH1 ARG 16 44.226 110.928 65.847 97 2HH1 ARG 16 1HH1 ARG 16 42.540 110.772 66.212 98 1HH2 ARG 16 1HH2 ARG 16 41.722 113.929 65.037 99 2HH2 ARG 16 2HH2 ARG 16 41.122 112.470 65.753 100 H PHE 17 H PHE 17 49.524 114.996 61.229 101 HA PHE 17 HA PHE 17 49.861 117.374 62.741 102 1HB PHE 17 1HB PHE 17 50.854 116.777 60.526 103 2HB PHE 17 2HB PHE 17 49.282 117.065 59.782 104 HD1 PHE 17 HD1 PHE 17 51.854 118.711 61.943 105 HD2 PHE 17 HD2 PHE 17 48.691 119.234 59.084 106 HE1 PHE 17 HE1 PHE 17 52.370 121.133 61.817 107 HE2 PHE 17 HE2 PHE 17 49.211 121.657 58.959 108 HZ PHE 17 HZ PHE 17 51.047 122.606 60.326 109 H LEU 18 H LEU 18 48.488 119.072 63.227 110 HA LEU 18 HA LEU 18 45.633 118.904 62.276 111 1HB LEU 18 1HB LEU 18 46.506 118.605 64.802 112 2HB LEU 18 2HB LEU 18 46.451 120.368 64.754 113 HG LEU 18 HG LEU 18 44.091 120.219 63.927 114 1HD1 LEU 18 1HD1 LEU 18 44.681 117.288 64.302 115 2HD1 LEU 18 2HD1 LEU 18 43.914 118.094 62.933 116 3HD1 LEU 18 3HD1 LEU 18 43.032 117.897 64.448 117 1HD2 LEU 18 1HD2 LEU 18 43.185 119.935 66.079 118 2HD2 LEU 18 2HD2 LEU 18 44.870 120.327 66.417 119 3HD2 LEU 18 3HD2 LEU 18 44.323 118.652 66.491 120 H ALA 19 H ALA 19 46.408 120.121 60.415 121 HA ALA 19 HA ALA 19 47.363 122.882 60.584 122 1HB ALA 19 1HB ALA 19 47.268 122.723 58.283 123 2HB ALA 19 2HB ALA 19 45.787 121.766 58.304 124 3HB ALA 19 3HB ALA 19 47.330 121.010 58.698 125 H HIS 20 H HIS 20 44.137 121.374 60.331 126 HA HIS 20 HA HIS 20 42.728 123.826 59.800 127 1HB HIS 20 1HB HIS 20 41.937 121.469 59.395 128 2HB HIS 20 2HB HIS 20 41.739 121.286 61.138 129 HD1 HIS 20 HD1 HIS 20 40.566 123.666 58.390 130 HD2 HIS 20 HD2 HIS 20 39.243 122.080 62.011 131 HE1 HIS 20 HE1 HIS 20 38.203 124.516 58.724 132 H GLN 21 H GLN 21 43.939 122.404 62.756 133 HA GLN 21 HA GLN 21 42.544 124.561 64.312 134 1HB GLN 21 1HB GLN 21 43.307 121.709 64.998 135 2HB GLN 21 2HB GLN 21 42.764 122.874 66.207 136 1HG GLN 21 1HG GLN 21 40.658 123.190 64.960 137 2HG GLN 21 2HG GLN 21 41.197 122.024 63.752 138 1HE2 GLN 21 1HE2 GLN 21 39.337 120.621 64.339 139 2HE2 GLN 21 2HE2 GLN 21 39.384 119.696 65.761 140 H SER 22 H SER 22 45.083 124.979 63.029 141 HA SER 22 HA SER 22 46.697 125.709 65.364 142 1HB SER 22 1HB SER 22 47.141 123.269 64.957 143 2HB SER 22 2HB SER 22 47.745 123.691 63.358 144 HG SER 22 HG SER 22 49.359 124.902 64.324 145 H THR 23 H THR 23 48.359 127.211 64.799 146 HA THR 23 HA THR 23 48.404 128.073 61.926 147 HB THR 23 HB THR 23 47.127 129.634 63.334 148 HG1 THR 23 HG1 THR 23 49.699 130.674 62.770 149 1HG2 THR 23 1HG2 THR 23 48.489 128.978 65.457 150 2HG2 THR 23 2HG2 THR 23 47.940 130.640 65.289 151 3HG2 THR 23 3HG2 THR 23 49.613 130.225 64.927 152 HA PRO 24 HA PRO 24 52.627 126.833 63.081 153 1HB PRO 24 1HB PRO 24 53.513 126.451 60.524 154 2HB PRO 24 2HB PRO 24 52.612 125.220 61.430 155 1HG PRO 24 1HG PRO 24 51.646 127.121 59.356 156 2HG PRO 24 2HG PRO 24 51.243 125.413 59.599 157 1HD PRO 24 1HD PRO 24 49.614 127.429 60.374 158 2HD PRO 24 2HD PRO 24 49.691 125.868 61.220 159 H ASP 25 H ASP 25 51.451 129.306 60.889 160 HA ASP 25 HA ASP 25 53.939 130.587 60.290 161 1HB ASP 25 1HB ASP 25 51.684 130.901 59.180 162 2HB ASP 25 2HB ASP 25 51.193 131.849 60.586 163 H GLU 26 H GLU 26 51.958 130.628 63.175 164 HA GLU 26 HA GLU 26 53.537 132.926 64.265 165 1HB GLU 26 1HB GLU 26 50.964 132.803 64.191 166 2HB GLU 26 2HB GLU 26 51.105 131.587 65.461 167 1HG GLU 26 1HG GLU 26 52.351 133.191 66.864 168 2HG GLU 26 2HG GLU 26 52.211 134.408 65.598 169 H GLY 27 H GLY 27 54.363 129.947 64.034 170 1HA GLY 27 1HA GLY 27 55.681 128.509 65.340 171 2HA GLY 27 2HA GLY 27 55.716 129.769 66.573 172 H ARG 28 H ARG 28 52.710 128.488 65.326 173 HA ARG 28 HA ARG 28 52.241 127.125 67.960 174 1HB ARG 28 1HB ARG 28 51.019 129.262 67.610 175 2HB ARG 28 2HB ARG 28 50.303 128.590 66.146 176 1HG ARG 28 1HG ARG 28 49.150 126.884 67.398 177 2HG ARG 28 2HG ARG 28 50.017 127.309 68.874 178 1HD ARG 28 1HD ARG 28 48.942 129.538 68.879 179 2HD ARG 28 2HD ARG 28 48.060 129.109 67.399 180 HE ARG 28 HE ARG 28 46.775 127.513 68.661 181 1HH1 ARG 28 1HH2 ARG 28 47.085 129.881 70.634 182 2HH1 ARG 28 2HH2 ARG 28 47.425 129.019 72.098 183 1HH2 ARG 28 2HH1 ARG 28 48.146 126.035 70.486 184 2HH2 ARG 28 1HH1 ARG 28 48.026 126.841 72.014 185 H TYR 29 H TYR 29 52.795 125.015 67.159 186 HA TYR 29 HA TYR 29 51.179 123.977 64.859 187 1HB TYR 29 1HB TYR 29 53.585 122.805 66.305 188 2HB TYR 29 2HB TYR 29 52.885 122.220 64.800 189 HD1 TYR 29 HD1 TYR 29 54.714 125.038 66.373 190 HD2 TYR 29 HD2 TYR 29 53.391 123.259 62.694 191 HE1 TYR 29 HE1 TYR 29 56.170 126.590 65.099 192 HE2 TYR 29 HE2 TYR 29 54.845 124.813 61.421 193 HH TYR 29 HH TYR 29 57.317 126.355 62.547 194 H ALA 30 H ALA 30 49.577 122.500 65.300 195 HA ALA 30 HA ALA 30 49.417 121.483 68.112 196 1HB ALA 30 1HB ALA 30 47.065 121.660 66.246 197 2HB ALA 30 2HB ALA 30 47.695 123.130 66.990 198 3HB ALA 30 3HB ALA 30 47.100 121.816 68.003 199 H PHE 31 H PHE 31 49.831 119.317 68.256 200 HA PHE 31 HA PHE 31 49.170 117.555 65.915 201 1HB PHE 31 1HB PHE 31 51.236 117.378 68.132 202 2HB PHE 31 2HB PHE 31 50.946 116.090 66.965 203 HD1 PHE 31 HD1 PHE 31 52.133 119.568 67.394 204 HD2 PHE 31 HD2 PHE 31 51.696 116.269 64.680 205 HE1 PHE 31 HE1 PHE 31 53.643 120.693 65.783 206 HE2 PHE 31 HE2 PHE 31 53.203 117.397 63.066 207 HZ PHE 31 HZ PHE 31 54.178 119.609 63.617 208 H ALA 32 H ALA 32 47.676 115.888 66.318 209 HA ALA 32 HA ALA 32 46.814 115.486 69.162 210 1HB ALA 32 1HB ALA 32 45.427 115.292 66.472 211 2HB ALA 32 2HB ALA 32 45.050 116.392 67.797 212 3HB ALA 32 3HB ALA 32 44.704 114.670 67.955 213 H TYR 33 H TYR 33 47.155 113.402 69.970 214 HA TYR 33 HA TYR 33 47.768 111.276 67.942 215 1HB TYR 33 1HB TYR 33 49.618 110.554 69.321 216 2HB TYR 33 2HB TYR 33 49.772 112.285 69.054 217 HD1 TYR 33 HD1 TYR 33 49.570 109.673 71.490 218 HD2 TYR 33 HD2 TYR 33 48.855 113.864 70.900 219 HE1 TYR 33 HE1 TYR 33 49.638 110.027 73.941 220 HE2 TYR 33 HE2 TYR 33 48.915 114.214 73.351 221 HH TYR 33 HH TYR 33 50.158 111.993 75.495 222 H SER 34 H SER 34 47.004 109.195 68.399 223 HA SER 34 HA SER 34 45.060 108.999 70.665 224 1HB SER 34 1HB SER 34 45.424 107.558 68.024 225 2HB SER 34 2HB SER 34 44.248 107.051 69.233 226 HG SER 34 HG SER 34 43.023 108.503 68.337 227 H ILE 35 H ILE 35 45.328 107.409 72.217 228 HA ILE 35 HA ILE 35 47.884 105.828 72.168 229 HB ILE 35 HB ILE 35 45.971 106.710 74.345 230 1HG1 ILE 35 1HG1 ILE 35 47.282 108.541 73.331 231 2HG1 ILE 35 2HG1 ILE 35 47.826 108.218 74.975 232 1HG2 ILE 35 1HG2 ILE 35 48.136 106.023 75.721 233 2HG2 ILE 35 2HG2 ILE 35 48.393 104.942 74.351 234 3HG2 ILE 35 3HG2 ILE 35 46.916 104.818 75.306 235 1HD1 ILE 35 1HD1 ILE 35 49.290 107.963 72.452 236 2HD1 ILE 35 2HD1 ILE 35 49.400 106.512 73.446 237 3HD1 ILE 35 3HD1 ILE 35 49.909 108.068 74.099 238 H ARG 36 H ARG 36 47.805 103.687 71.999 239 HA ARG 36 HA ARG 36 45.210 102.247 72.469 240 1HB ARG 36 1HB ARG 36 45.991 102.507 70.085 241 2HB ARG 36 2HB ARG 36 47.435 101.588 70.512 242 1HG ARG 36 1HG ARG 36 46.026 99.681 71.191 243 2HG ARG 36 2HG ARG 36 44.579 100.596 70.761 244 1HD ARG 36 1HD ARG 36 45.381 100.745 68.413 245 2HD ARG 36 2HD ARG 36 46.799 99.772 68.853 246 HE ARG 36 HE ARG 36 44.975 98.085 69.709 247 1HH1 ARG 36 2HH1 ARG 36 42.714 99.699 68.560 248 2HH1 ARG 36 1HH1 ARG 36 42.474 98.937 67.024 249 1HH2 ARG 36 1HH2 ARG 36 45.537 97.311 67.055 250 2HH2 ARG 36 2HH2 ARG 36 44.072 97.584 66.172 251 H ILE 37 H ILE 37 45.673 101.527 74.562 252 HA ILE 37 HA ILE 37 48.255 100.202 75.198 253 HB ILE 37 HB ILE 37 45.734 100.741 76.805 254 1HG1 ILE 37 1HG1 ILE 37 48.366 102.246 76.843 255 2HG1 ILE 37 2HG1 ILE 37 46.979 102.763 75.884 256 1HG2 ILE 37 1HG2 ILE 37 48.379 100.451 78.116 257 2HG2 ILE 37 2HG2 ILE 37 47.710 98.971 77.432 258 3HG2 ILE 37 3HG2 ILE 37 46.796 99.877 78.635 259 1HD1 ILE 37 1HD1 ILE 37 47.126 102.479 78.895 260 2HD1 ILE 37 2HD1 ILE 37 45.614 102.719 78.019 261 3HD1 ILE 37 3HD1 ILE 37 46.868 103.958 77.969 262 H GLN 38 H GLN 38 48.454 98.058 74.686 263 HA GLN 38 HA GLN 38 46.028 96.295 74.920 264 1HB GLN 38 1HB GLN 38 46.873 96.616 72.604 265 2HB GLN 38 2HB GLN 38 48.473 96.086 73.121 266 1HG GLN 38 1HG GLN 38 47.546 93.889 73.757 267 2HG GLN 38 2HG GLN 38 45.943 94.415 73.243 268 1HE2 GLN 38 1HE2 GLN 38 46.964 92.179 71.963 269 2HE2 GLN 38 2HE2 GLN 38 47.438 92.564 70.380 270 H ASN 39 H ASN 39 46.199 94.585 76.262 271 HA ASN 39 HA ASN 39 48.673 94.341 77.854 272 1HB ASN 39 1HB ASN 39 46.400 94.523 78.878 273 2HB ASN 39 2HB ASN 39 45.972 92.981 78.137 274 1HD2 ASN 39 1HD2 ASN 39 46.368 93.809 81.085 275 2HD2 ASN 39 2HD2 ASN 39 47.447 92.649 81.692 276 H ALA 40 H ALA 40 50.195 92.849 77.222 277 HA ALA 40 HA ALA 40 49.273 90.365 75.801 278 1HB ALA 40 1HB ALA 40 50.641 91.847 74.420 279 2HB ALA 40 2HB ALA 40 51.599 90.430 74.848 280 3HB ALA 40 3HB ALA 40 51.859 91.957 75.692 281 H GLY 41 H GLY 41 50.040 91.269 78.828 282 1HA GLY 41 1HA GLY 41 52.061 89.223 79.432 283 2HA GLY 41 2HA GLY 41 51.281 90.291 80.601 284 H ALA 42 H ALA 42 51.448 87.734 81.399 285 HA ALA 42 HA ALA 42 49.077 86.204 80.589 286 1HB ALA 42 1HB ALA 42 50.065 84.491 81.905 287 2HB ALA 42 2HB ALA 42 50.949 85.657 82.891 288 3HB ALA 42 3HB ALA 42 51.436 85.365 81.222 289 H VAL 43 H VAL 43 50.143 88.230 83.237 290 HA VAL 43 HA VAL 43 47.592 87.747 84.726 291 HB VAL 43 HB VAL 43 50.276 88.955 85.501 292 1HG1 VAL 43 1HG1 VAL 43 47.989 88.194 87.332 293 2HG1 VAL 43 2HG1 VAL 43 48.262 89.842 86.766 294 3HG1 VAL 43 3HG1 VAL 43 49.477 89.040 87.763 295 1HG2 VAL 43 1HG2 VAL 43 48.983 86.259 85.951 296 2HG2 VAL 43 2HG2 VAL 43 50.317 86.836 86.950 297 3HG2 VAL 43 3HG2 VAL 43 50.548 86.606 85.217 298 HA PRO 44 HA PRO 44 45.998 91.621 83.369 299 1HB PRO 44 1HB PRO 44 44.643 92.432 85.614 300 2HB PRO 44 2HB PRO 44 44.025 91.213 84.479 301 1HG PRO 44 1HG PRO 44 45.465 90.819 87.067 302 2HG PRO 44 2HG PRO 44 44.011 90.008 86.455 303 1HD PRO 44 1HD PRO 44 46.379 88.815 86.318 304 2HD PRO 44 2HD PRO 44 45.210 88.667 84.990 305 H ALA 45 H ALA 45 46.547 93.826 83.547 306 HA ALA 45 HA ALA 45 48.363 94.644 85.795 307 1HB ALA 45 1HB ALA 45 48.837 94.393 82.871 308 2HB ALA 45 2HB ALA 45 49.961 94.192 84.215 309 3HB ALA 45 3HB ALA 45 49.524 95.810 83.666 310 H ARG 46 H ARG 46 48.358 96.862 86.232 311 HA ARG 46 HA ARG 46 46.311 98.537 84.801 312 1HB ARG 46 1HB ARG 46 45.536 97.758 87.002 313 2HB ARG 46 2HB ARG 46 47.022 98.335 87.752 314 1HG ARG 46 1HG ARG 46 46.429 100.658 86.998 315 2HG ARG 46 2HG ARG 46 44.881 100.030 86.434 316 1HD ARG 46 1HD ARG 46 44.673 101.000 88.713 317 2HD ARG 46 2HD ARG 46 44.369 99.254 88.745 318 HE ARG 46 HE ARG 46 47.135 100.237 89.261 319 1HH1 ARG 46 1HH2 ARG 46 44.825 100.353 91.410 320 2HH1 ARG 46 2HH2 ARG 46 45.239 98.951 92.338 321 1HH2 ARG 46 2HH1 ARG 46 47.424 97.693 89.957 322 2HH2 ARG 46 1HH1 ARG 46 46.710 97.444 91.516 323 H LEU 47 H LEU 47 46.824 100.831 84.734 324 HA LEU 47 HA LEU 47 49.761 101.358 84.834 325 1HB LEU 47 1HB LEU 47 48.266 101.726 82.790 326 2HB LEU 47 2HB LEU 47 47.531 103.057 83.685 327 HG LEU 47 HG LEU 47 50.522 102.883 83.342 328 1HD1 LEU 47 1HD1 LEU 47 49.855 102.886 81.084 329 2HD1 LEU 47 2HD1 LEU 47 50.052 104.600 81.449 330 3HD1 LEU 47 3HD1 LEU 47 48.440 103.887 81.409 331 1HD2 LEU 47 1HD2 LEU 47 50.000 105.475 83.412 332 2HD2 LEU 47 2HD2 LEU 47 50.033 104.539 84.906 333 3HD2 LEU 47 3HD2 LEU 47 48.490 104.939 84.152 334 H VAL 48 H VAL 48 50.480 102.345 86.688 335 HA VAL 48 HA VAL 48 48.564 103.972 88.282 336 HB VAL 48 HB VAL 48 51.311 102.829 88.898 337 1HG1 VAL 48 1HG1 VAL 48 49.261 104.217 90.652 338 2HG1 VAL 48 2HG1 VAL 48 50.894 104.777 90.288 339 3HG1 VAL 48 3HG1 VAL 48 50.655 103.333 91.272 340 1HG2 VAL 48 1HG2 VAL 48 49.173 101.320 88.536 341 2HG2 VAL 48 2HG2 VAL 48 48.731 101.918 90.135 342 3HG2 VAL 48 3HG2 VAL 48 50.236 101.028 89.912 343 H ALA 49 H ALA 49 51.596 104.261 86.463 344 HA ALA 49 HA ALA 49 51.410 107.212 86.884 345 1HB ALA 49 1HB ALA 49 54.076 106.886 87.028 346 2HB ALA 49 2HB ALA 49 53.570 105.316 87.653 347 3HB ALA 49 3HB ALA 49 53.038 106.797 88.450 348 H ARG 50 H ARG 50 52.787 108.439 85.373 349 HA ARG 50 HA ARG 50 53.571 107.060 82.824 350 1HB ARG 50 1HB ARG 50 52.212 108.653 81.567 351 2HB ARG 50 2HB ARG 50 51.184 107.786 82.706 352 1HG ARG 50 1HG ARG 50 51.511 109.729 84.309 353 2HG ARG 50 2HG ARG 50 52.263 110.602 82.974 354 1HD ARG 50 1HD ARG 50 50.208 110.366 81.634 355 2HD ARG 50 2HD ARG 50 49.447 109.456 82.953 356 HE ARG 50 HE ARG 50 50.115 111.634 84.324 357 1HH1 ARG 50 2HH1 ARG 50 50.411 112.489 81.213 358 2HH1 ARG 50 1HH1 ARG 50 49.056 113.565 81.136 359 1HH2 ARG 50 1HH2 ARG 50 47.743 112.554 84.182 360 2HH2 ARG 50 2HH2 ARG 50 47.546 113.602 82.817 361 H HIS 51 H HIS 51 55.313 107.988 81.870 362 HA HIS 51 HA HIS 51 56.237 110.691 82.747 363 1HB HIS 51 1HB HIS 51 57.263 108.987 84.221 364 2HB HIS 51 2HB HIS 51 57.835 108.104 82.807 365 HD1 HIS 51 HD1 HIS 51 60.302 108.521 83.743 366 HD2 HIS 51 HD2 HIS 51 58.253 111.953 82.561 367 HE1 HIS 51 HE1 HIS 51 62.037 110.354 83.530 368 H TRP 52 H TRP 52 56.384 111.776 80.851 369 HA TRP 52 HA TRP 52 57.169 110.337 78.358 370 1HB TRP 52 1HB TRP 52 55.860 112.968 79.067 371 2HB TRP 52 2HB TRP 52 56.398 112.616 77.426 372 HD1 TRP 52 HD1 TRP 52 53.552 112.121 79.723 373 HE1 TRP 52 HE1 TRP 52 51.838 110.490 78.701 374 HE3 TRP 52 HE3 TRP 52 56.312 110.252 75.855 375 HZ2 TRP 52 HZ2 TRP 52 51.661 108.639 76.531 376 HZ3 TRP 52 HZ3 TRP 52 55.347 108.556 74.326 377 HH2 TRP 52 HH2 TRP 52 53.027 107.747 74.659 378 H GLN 53 H GLN 53 59.152 110.692 77.443 379 HA GLN 53 HA GLN 53 60.875 112.891 78.546 380 1HB GLN 53 1HB GLN 53 61.513 110.490 78.962 381 2HB GLN 53 2HB GLN 53 61.643 110.272 77.217 382 1HG GLN 53 1HG GLN 53 63.374 112.002 77.100 383 2HG GLN 53 2HG GLN 53 63.219 112.296 78.832 384 1HE2 GLN 53 1HE2 GLN 53 64.988 110.527 76.547 385 2HE2 GLN 53 2HE2 GLN 53 65.632 109.350 77.586 386 H ILE 54 H ILE 54 59.718 114.261 76.839 387 HA ILE 54 HA ILE 54 60.213 113.622 74.020 388 HB ILE 54 HB ILE 54 58.848 115.540 73.604 389 1HG1 ILE 54 1HG1 ILE 54 59.167 116.353 76.512 390 2HG1 ILE 54 2HG1 ILE 54 60.030 117.104 75.174 391 1HG2 ILE 54 1HG2 ILE 54 56.909 114.774 74.533 392 2HG2 ILE 54 2HG2 ILE 54 57.565 114.773 76.169 393 3HG2 ILE 54 3HG2 ILE 54 57.951 113.454 75.064 394 1HD1 ILE 54 1HD1 ILE 54 58.028 118.409 75.741 395 2HD1 ILE 54 2HD1 ILE 54 57.020 116.987 75.471 396 3HD1 ILE 54 3HD1 ILE 54 57.888 117.721 74.123 397 H THR 55 H THR 55 61.941 114.227 72.853 398 HA THR 55 HA THR 55 63.665 116.478 73.841 399 HB THR 55 HB THR 55 64.448 113.910 72.395 400 HG1 THR 55 HG1 THR 55 64.053 113.410 74.488 401 1HG2 THR 55 1HG2 THR 55 66.075 116.243 73.431 402 2HG2 THR 55 2HG2 THR 55 65.939 115.696 71.760 403 3HG2 THR 55 3HG2 THR 55 66.780 114.700 72.949 404 H ASP 56 H ASP 56 63.905 118.104 72.440 405 HA ASP 56 HA ASP 56 62.566 117.885 69.838 406 1HB ASP 56 1HB ASP 56 62.345 119.775 71.538 407 2HB ASP 56 2HB ASP 56 63.972 120.266 71.069 408 H GLY 57 H GLY 57 63.662 118.986 67.941 409 1HA GLY 57 1HA GLY 57 66.040 117.620 67.211 410 2HA GLY 57 2HA GLY 57 65.351 118.978 66.332 411 H ASN 58 H ASN 58 65.869 120.282 69.332 412 HA ASN 58 HA ASN 58 68.557 121.273 68.505 413 1HB ASN 58 1HB ASN 58 66.486 122.765 68.947 414 2HB ASN 58 2HB ASN 58 66.744 122.393 70.652 415 1HD2 ASN 58 1HD2 ASN 58 67.769 124.189 71.559 416 2HD2 ASN 58 2HD2 ASN 58 69.097 124.995 70.874 417 H GLY 59 H GLY 59 67.447 118.829 70.359 418 1HA GLY 59 1HA GLY 59 68.846 117.518 71.808 419 2HA GLY 59 2HA GLY 59 69.811 118.956 72.134 420 H ARG 60 H ARG 60 67.411 120.618 72.717 421 HA ARG 60 HA ARG 60 67.250 120.191 75.546 422 1HB ARG 60 1HB ARG 60 66.163 121.958 73.481 423 2HB ARG 60 2HB ARG 60 64.994 121.660 74.766 424 1HG ARG 60 1HG ARG 60 66.079 123.202 76.003 425 2HG ARG 60 2HG ARG 60 67.433 122.079 76.105 426 1HD ARG 60 1HD ARG 60 68.217 124.245 75.238 427 2HD ARG 60 2HD ARG 60 68.313 123.031 73.947 428 HE ARG 60 HE ARG 60 65.990 123.906 73.257 429 1HH1 ARG 60 2HH1 ARG 60 68.455 125.715 72.707 430 2HH1 ARG 60 1HH1 ARG 60 67.797 127.260 73.133 431 1HH2 ARG 60 1HH2 ARG 60 65.057 125.931 74.792 432 2HH2 ARG 60 2HH2 ARG 60 65.872 127.382 74.312 433 H THR 61 H THR 61 65.713 119.110 76.800 434 HA THR 61 HA THR 61 63.493 117.730 75.355 435 HB THR 61 HB THR 61 65.392 116.196 75.636 436 HG1 THR 61 HG1 THR 61 63.901 114.798 76.022 437 1HG2 THR 61 1HG2 THR 61 66.103 115.593 77.973 438 2HG2 THR 61 2HG2 THR 61 65.151 116.957 78.559 439 3HG2 THR 61 3HG2 THR 61 66.533 117.237 77.499 440 H GLU 62 H GLU 62 61.637 117.255 76.704 441 HA GLU 62 HA GLU 62 61.602 118.739 79.314 442 1HB GLU 62 1HB GLU 62 60.375 119.760 77.365 443 2HB GLU 62 2HB GLU 62 59.356 118.321 77.318 444 1HG GLU 62 1HG GLU 62 58.213 120.040 78.604 445 2HG GLU 62 2HG GLU 62 58.722 118.755 79.702 446 H GLN 63 H GLN 63 61.202 117.416 81.018 447 HA GLN 63 HA GLN 63 60.044 114.698 80.550 448 1HB GLN 63 1HB GLN 63 61.628 116.022 82.763 449 2HB GLN 63 2HB GLN 63 60.985 114.383 82.883 450 1HG GLN 63 1HG GLN 63 62.236 113.738 80.857 451 2HG GLN 63 2HG GLN 63 62.884 115.374 80.736 452 1HE2 GLN 63 1HE2 GLN 63 64.236 112.662 81.336 453 2HE2 GLN 63 2HE2 GLN 63 65.123 112.956 82.753 454 H VAL 64 H VAL 64 58.031 114.203 81.349 455 HA VAL 64 HA VAL 64 56.766 116.102 83.300 456 HB VAL 64 HB VAL 64 55.540 114.696 80.899 457 1HG1 VAL 64 1HG1 VAL 64 53.541 116.063 81.432 458 2HG1 VAL 64 2HG1 VAL 64 54.348 116.662 82.880 459 3HG1 VAL 64 3HG1 VAL 64 53.935 114.953 82.745 460 1HG2 VAL 64 1HG2 VAL 64 56.219 117.608 81.424 461 2HG2 VAL 64 2HG2 VAL 64 55.293 117.031 80.039 462 3HG2 VAL 64 3HG2 VAL 64 56.980 116.555 80.231 463 H ASP 65 H ASP 65 55.943 115.132 85.068 464 HA ASP 65 HA ASP 65 55.529 112.152 85.050 465 1HB ASP 65 1HB ASP 65 57.591 113.039 86.214 466 2HB ASP 65 2HB ASP 65 56.520 113.906 87.315 467 H GLY 66 H GLY 66 53.449 111.602 85.594 468 1HA GLY 66 1HA GLY 66 51.963 113.266 87.537 469 2HA GLY 66 2HA GLY 66 51.239 113.082 85.939 470 H GLU 67 H GLU 67 50.292 112.076 88.586 471 HA GLU 67 HA GLU 67 50.658 109.189 88.622 472 1HB GLU 67 1HB GLU 67 48.888 109.342 90.364 473 2HB GLU 67 2HB GLU 67 50.162 110.531 90.624 474 1HG GLU 67 1HG GLU 67 48.818 112.319 89.886 475 2HG GLU 67 2HG GLU 67 47.696 111.250 89.045 476 H GLY 68 H GLY 68 48.997 107.606 88.116 477 1HA GLY 68 1HA GLY 68 47.458 106.648 86.638 478 2HA GLY 68 2HA GLY 68 46.448 108.013 87.100 479 H VAL 69 H VAL 69 45.732 107.556 84.787 480 HA VAL 69 HA VAL 69 47.308 109.272 82.886 481 HB VAL 69 HB VAL 69 46.493 107.650 81.118 482 1HG1 VAL 69 1HG1 VAL 69 48.711 107.247 81.533 483 2HG1 VAL 69 2HG1 VAL 69 48.058 105.726 82.139 484 3HG1 VAL 69 3HG1 VAL 69 48.458 107.025 83.263 485 1HG2 VAL 69 1HG2 VAL 69 44.645 106.665 82.474 486 2HG2 VAL 69 2HG2 VAL 69 45.847 105.917 83.526 487 3HG2 VAL 69 3HG2 VAL 69 45.733 105.433 81.835 488 H VAL 70 H VAL 70 46.128 110.876 82.101 489 HA VAL 70 HA VAL 70 44.327 112.357 81.922 490 HB VAL 70 HB VAL 70 42.716 111.553 80.280 491 1HG1 VAL 70 1HG1 VAL 70 45.464 111.448 79.952 492 2HG1 VAL 70 2HG1 VAL 70 44.269 111.383 78.656 493 3HG1 VAL 70 3HG1 VAL 70 44.929 109.889 79.321 494 1HG2 VAL 70 1HG2 VAL 70 42.421 109.216 79.744 495 2HG2 VAL 70 2HG2 VAL 70 42.192 109.414 81.476 496 3HG2 VAL 70 3HG2 VAL 70 43.701 108.745 80.858 497 H GLY 71 H GLY 71 44.349 111.023 84.480 498 1HA GLY 71 1HA GLY 71 42.950 111.269 86.364 499 2HA GLY 71 2HA GLY 71 41.618 111.662 85.291 500 H GLU 72 H GLU 72 43.245 108.677 84.563 501 HA GLU 72 HA GLU 72 41.307 107.145 86.239 502 1HB GLU 72 1HB GLU 72 40.528 105.900 84.242 503 2HB GLU 72 2HB GLU 72 40.171 107.622 84.124 504 1HG GLU 72 1HG GLU 72 42.112 107.959 82.701 505 2HG GLU 72 2HG GLU 72 42.577 106.271 82.874 506 H GLN 73 H GLN 73 41.864 104.992 86.608 507 HA GLN 73 HA GLN 73 44.665 104.178 85.860 508 1HB GLN 73 1HB GLN 73 42.894 103.721 88.279 509 2HB GLN 73 2HB GLN 73 44.419 102.871 88.028 510 1HG GLN 73 1HG GLN 73 45.667 104.926 88.069 511 2HG GLN 73 2HG GLN 73 44.191 105.891 88.023 512 1HE2 GLN 73 1HE2 GLN 73 44.235 106.900 90.073 513 2HE2 GLN 73 2HE2 GLN 73 44.306 106.053 91.543 514 HA PRO 74 HA PRO 74 41.482 101.371 83.877 515 1HB PRO 74 1HB PRO 74 43.020 100.741 81.706 516 2HB PRO 74 2HB PRO 74 41.944 102.152 81.760 517 1HG PRO 74 1HG PRO 74 44.889 102.003 82.170 518 2HG PRO 74 2HG PRO 74 43.929 103.213 81.303 519 1HD PRO 74 1HD PRO 74 44.898 103.622 83.796 520 2HD PRO 74 2HD PRO 74 43.386 104.352 83.215 521 H TRP 75 H TRP 75 41.454 99.211 84.229 522 HA TRP 75 HA TRP 75 43.931 97.862 85.216 523 1HB TRP 75 1HB TRP 75 41.582 98.080 86.396 524 2HB TRP 75 2HB TRP 75 41.111 96.792 85.290 525 HD1 TRP 75 HD1 TRP 75 43.814 97.529 87.945 526 HE1 TRP 75 HE1 TRP 75 44.491 95.302 89.049 527 HE3 TRP 75 HE3 TRP 75 41.022 94.284 85.164 528 HZ2 TRP 75 HZ2 TRP 75 43.920 92.512 88.791 529 HZ3 TRP 75 HZ3 TRP 75 41.104 91.848 85.618 530 HH2 TRP 75 HH2 TRP 75 42.548 90.960 87.426 531 H LEU 76 H LEU 76 44.602 97.760 82.832 532 HA LEU 76 HA LEU 76 43.141 96.372 80.836 533 1HB LEU 76 1HB LEU 76 45.712 97.530 81.220 534 2HB LEU 76 2HB LEU 76 45.985 95.899 80.606 535 HG LEU 76 HG LEU 76 44.117 96.494 78.883 536 1HD1 LEU 76 1HD1 LEU 76 44.354 99.038 78.377 537 2HD1 LEU 76 2HD1 LEU 76 44.870 99.161 80.059 538 3HD1 LEU 76 3HD1 LEU 76 43.268 98.535 79.672 539 1HD2 LEU 76 1HD2 LEU 76 46.157 96.208 77.859 540 2HD2 LEU 76 2HD2 LEU 76 46.985 97.307 78.960 541 3HD2 LEU 76 3HD2 LEU 76 46.005 97.949 77.641 542 H ARG 77 H ARG 77 42.406 94.324 80.923 543 HA ARG 77 HA ARG 77 43.702 92.276 82.610 544 1HB ARG 77 1HB ARG 77 41.167 92.690 81.087 545 2HB ARG 77 2HB ARG 77 41.688 91.020 81.323 546 1HG ARG 77 1HG ARG 77 42.064 91.863 83.820 547 2HG ARG 77 2HG ARG 77 40.841 93.045 83.351 548 1HD ARG 77 1HD ARG 77 39.714 90.762 82.366 549 2HD ARG 77 2HD ARG 77 40.558 90.129 83.792 550 HE ARG 77 HE ARG 77 39.140 92.619 84.337 551 1HH1 ARG 77 1HH2 ARG 77 39.612 89.616 85.539 552 2HH1 ARG 77 2HH2 ARG 77 37.965 89.290 85.967 553 1HH2 ARG 77 2HH1 ARG 77 36.702 92.029 84.256 554 2HH2 ARG 77 1HH1 ARG 77 36.317 90.656 85.241 555 HA PRO 78 HA PRO 78 46.125 90.422 79.451 556 1HB PRO 78 1HB PRO 78 45.451 87.765 79.490 557 2HB PRO 78 2HB PRO 78 46.500 88.512 80.713 558 1HG PRO 78 1HG PRO 78 43.601 87.849 80.857 559 2HG PRO 78 2HG PRO 78 44.860 87.681 82.090 560 1HD PRO 78 1HD PRO 78 43.070 89.716 82.083 561 2HD PRO 78 2HD PRO 78 44.716 89.877 82.732 562 H GLY 79 H GLY 79 45.778 90.627 77.337 563 1HA GLY 79 1HA GLY 79 44.813 90.129 75.203 564 2HA GLY 79 2HA GLY 79 43.476 89.329 76.023 565 H GLU 80 H GLU 80 43.340 91.938 77.781 566 HA GLU 80 HA GLU 80 41.417 93.307 76.001 567 1HB GLU 80 1HB GLU 80 42.189 93.510 78.927 568 2HB GLU 80 2HB GLU 80 40.973 94.549 78.182 569 1HG GLU 80 1HG GLU 80 40.870 91.519 78.154 570 2HG GLU 80 2HG GLU 80 39.992 92.532 79.301 571 H ALA 81 H ALA 81 41.476 95.747 75.945 572 HA ALA 81 HA ALA 81 44.170 96.939 76.309 573 1HB ALA 81 1HB ALA 81 44.013 97.758 73.906 574 2HB ALA 81 2HB ALA 81 42.644 96.666 73.703 575 3HB ALA 81 3HB ALA 81 44.240 96.018 74.077 576 H PHE 82 H PHE 82 44.096 99.276 76.383 577 HA PHE 82 HA PHE 82 41.331 100.430 76.600 578 1HB PHE 82 1HB PHE 82 42.523 100.216 78.750 579 2HB PHE 82 2HB PHE 82 43.893 101.108 78.090 580 HD1 PHE 82 HD1 PHE 82 43.748 103.518 77.669 581 HD2 PHE 82 HD2 PHE 82 40.417 101.332 79.276 582 HE1 PHE 82 HE1 PHE 82 42.643 105.652 78.287 583 HE2 PHE 82 HE2 PHE 82 39.314 103.465 79.893 584 HZ PHE 82 HZ PHE 82 40.427 105.625 79.398 585 H HIS 83 H HIS 83 41.065 102.536 75.602 586 HA HIS 83 HA HIS 83 43.443 103.691 74.222 587 1HB HIS 83 1HB HIS 83 42.139 103.743 72.104 588 2HB HIS 83 2HB HIS 83 42.396 102.096 72.678 589 HD1 HIS 83 HD1 HIS 83 39.725 104.741 72.366 590 HD2 HIS 83 HD2 HIS 83 40.042 100.730 73.458 591 HE1 HIS 83 HE1 HIS 83 37.357 103.859 72.546 592 H TYR 84 H TYR 84 43.351 105.927 74.044 593 HA TYR 84 HA TYR 84 40.781 107.339 74.419 594 1HB TYR 84 1HB TYR 84 41.557 108.559 76.374 595 2HB TYR 84 2HB TYR 84 41.727 106.838 76.697 596 HD1 TYR 84 HD1 TYR 84 43.503 109.989 76.045 597 HD2 TYR 84 HD2 TYR 84 43.945 105.784 76.786 598 HE1 TYR 84 HE1 TYR 84 45.911 110.326 76.528 599 HE2 TYR 84 HE2 TYR 84 46.353 106.118 77.265 600 HH TYR 84 HH TYR 84 47.742 108.435 78.150 601 H THR 85 H THR 85 41.018 109.678 73.898 602 HA THR 85 HA THR 85 43.212 110.105 71.924 603 HB THR 85 HB THR 85 40.623 111.601 72.448 604 HG1 THR 85 HG1 THR 85 39.996 110.439 70.528 605 1HG2 THR 85 1HG2 THR 85 42.761 111.782 70.338 606 2HG2 THR 85 2HG2 THR 85 42.009 113.082 71.261 607 3HG2 THR 85 3HG2 THR 85 41.104 112.270 69.984 608 H SER 86 H SER 86 44.749 111.690 72.232 609 HA SER 86 HA SER 86 44.440 113.468 74.629 610 1HB SER 86 1HB SER 86 46.072 111.750 75.026 611 2HB SER 86 2HB SER 86 46.827 112.029 73.459 612 HG SER 86 HG SER 86 47.066 113.409 75.834 613 H GLY 87 H GLY 87 45.858 115.534 74.369 614 1HA GLY 87 1HA GLY 87 46.344 116.261 71.527 615 2HA GLY 87 2HA GLY 87 45.291 117.298 72.487 616 H VAL 88 H VAL 88 48.347 117.087 71.388 617 HA VAL 88 HA VAL 88 49.461 118.666 73.690 618 HB VAL 88 HB VAL 88 50.768 116.529 71.965 619 1HG1 VAL 88 1HG1 VAL 88 52.482 118.129 72.318 620 2HG1 VAL 88 2HG1 VAL 88 52.711 116.959 73.619 621 3HG1 VAL 88 3HG1 VAL 88 51.917 118.499 73.948 622 1HG2 VAL 88 1HG2 VAL 88 49.226 116.051 74.068 623 2HG2 VAL 88 2HG2 VAL 88 50.670 116.526 74.960 624 3HG2 VAL 88 3HG2 VAL 88 50.732 115.163 73.844 625 H LEU 89 H LEU 89 50.779 120.431 73.057 626 HA LEU 89 HA LEU 89 50.559 121.173 70.170 627 1HB LEU 89 1HB LEU 89 50.973 122.805 72.697 628 2HB LEU 89 2HB LEU 89 50.828 123.483 71.076 629 HG LEU 89 HG LEU 89 48.713 121.738 72.363 630 1HD1 LEU 89 1HD1 LEU 89 47.559 124.156 72.255 631 2HD1 LEU 89 2HD1 LEU 89 49.231 124.674 72.467 632 3HD1 LEU 89 3HD1 LEU 89 48.476 123.624 73.665 633 1HD2 LEU 89 1HD2 LEU 89 48.959 123.297 69.797 634 2HD2 LEU 89 2HD2 LEU 89 47.372 122.990 70.501 635 3HD2 LEU 89 3HD2 LEU 89 48.406 121.640 70.034 636 H LEU 90 H LEU 90 52.430 121.794 69.042 637 HA LEU 90 HA LEU 90 55.037 121.419 70.484 638 1HB LEU 90 1HB LEU 90 54.157 119.714 68.728 639 2HB LEU 90 2HB LEU 90 54.559 120.955 67.539 640 HG LEU 90 HG LEU 90 56.876 121.035 68.635 641 1HD1 LEU 90 1HD1 LEU 90 55.592 118.736 70.048 642 2HD1 LEU 90 2HD1 LEU 90 56.756 119.915 70.652 643 3HD1 LEU 90 3HD1 LEU 90 57.296 118.591 69.618 644 1HD2 LEU 90 1HD2 LEU 90 56.261 119.892 66.449 645 2HD2 LEU 90 2HD2 LEU 90 56.125 118.390 67.362 646 3HD2 LEU 90 3HD2 LEU 90 57.676 119.226 67.265 647 H GLU 91 H GLU 91 56.658 123.011 70.039 648 HA GLU 91 HA GLU 91 55.699 125.410 68.541 649 1HB GLU 91 1HB GLU 91 56.319 125.546 70.958 650 2HB GLU 91 2HB GLU 91 57.956 125.048 70.533 651 1HG GLU 91 1HG GLU 91 58.247 127.025 69.141 652 2HG GLU 91 2HG GLU 91 56.570 127.500 69.414 653 H THR 92 H THR 92 57.698 122.733 68.006 654 HA THR 92 HA THR 92 59.572 124.313 66.300 655 HB THR 92 HB THR 92 59.791 121.462 67.311 656 HG1 THR 92 HG1 THR 92 60.141 122.461 69.124 657 1HG2 THR 92 1HG2 THR 92 62.104 123.183 66.510 658 2HG2 THR 92 2HG2 THR 92 61.120 122.451 65.241 659 3HG2 THR 92 3HG2 THR 92 61.931 121.429 66.428 660 H GLU 93 H GLU 93 57.342 121.562 66.258 661 HA GLU 93 HA GLU 93 56.000 120.844 64.414 662 1HB GLU 93 1HB GLU 93 56.720 123.104 63.346 663 2HB GLU 93 2HB GLU 93 57.924 122.137 62.492 664 1HG GLU 93 1HG GLU 93 56.038 120.611 61.761 665 2HG GLU 93 2HG GLU 93 54.915 121.800 62.418 666 H GLN 94 H GLN 94 59.381 120.408 64.891 667 HA GLN 94 HA GLN 94 59.194 117.775 63.509 668 1HB GLN 94 1HB GLN 94 61.478 118.202 62.595 669 2HB GLN 94 2HB GLN 94 60.289 119.365 62.013 670 1HG GLN 94 1HG GLN 94 61.030 120.909 63.885 671 2HG GLN 94 2HG GLN 94 62.354 119.784 64.190 672 1HE2 GLN 94 1HE2 GLN 94 64.119 121.035 63.413 673 2HE2 GLN 94 2HE2 GLN 94 64.243 121.580 61.810 674 H GLY 95 H GLY 95 60.468 116.088 64.660 675 1HA GLY 95 1HA GLY 95 62.584 116.433 66.393 676 2HA GLY 95 2HA GLY 95 61.202 116.847 67.395 677 H GLN 96 H GLN 96 62.493 114.925 68.418 678 HA GLN 96 HA GLN 96 61.172 112.319 67.648 679 1HB GLN 96 1HB GLN 96 63.626 112.465 67.267 680 2HB GLN 96 2HB GLN 96 63.847 112.880 68.967 681 1HG GLN 96 1HG GLN 96 62.831 110.730 69.628 682 2HG GLN 96 2HG GLN 96 62.612 110.312 67.928 683 1HE2 GLN 96 1HE2 GLN 96 64.281 108.807 69.819 684 2HE2 GLN 96 2HE2 GLN 96 65.876 108.892 69.244 685 H MET 97 H MET 97 59.856 111.497 69.263 686 HA MET 97 HA MET 97 60.244 112.550 72.051 687 1HB MET 97 1HB MET 97 58.276 113.342 70.563 688 2HB MET 97 2HB MET 97 57.615 111.728 70.830 689 1HG MET 97 1HG MET 97 58.312 112.435 73.381 690 2HG MET 97 2HG MET 97 57.864 114.000 72.706 691 1HE MET 97 1HE MET 97 54.457 114.186 72.037 692 2HE MET 97 2HE MET 97 56.081 114.837 72.244 693 3HE MET 97 3HE MET 97 55.075 114.533 73.658 694 H GLN 98 H GLN 98 60.678 110.912 73.518 695 HA GLN 98 HA GLN 98 59.710 108.133 72.906 696 1HB GLN 98 1HB GLN 98 62.174 109.290 74.237 697 2HB GLN 98 2HB GLN 98 61.717 107.599 74.439 698 1HG GLN 98 1HG GLN 98 61.897 107.184 72.084 699 2HG GLN 98 2HG GLN 98 62.080 108.903 71.735 700 1HE2 GLN 98 1HE2 GLN 98 63.988 106.513 71.315 701 2HE2 GLN 98 2HE2 GLN 98 65.436 107.015 72.043 702 H GLY 99 H GLY 99 58.810 106.987 74.781 703 1HA GLY 99 1HA GLY 99 58.671 108.452 77.344 704 2HA GLY 99 2HA GLY 99 57.131 108.281 76.510 705 H HIS 100 H HIS 100 57.397 107.167 79.003 706 HA HIS 100 HA HIS 100 57.311 104.264 78.352 707 1HB HIS 100 1HB HIS 100 58.711 105.612 80.689 708 2HB HIS 100 2HB HIS 100 58.513 103.868 80.528 709 HD1 HIS 100 HD1 HIS 100 60.068 106.786 78.636 710 HD2 HIS 100 HD2 HIS 100 60.483 102.656 79.002 711 HE1 HIS 100 HE1 HIS 100 62.116 106.150 77.288 712 H TYR 101 H TYR 101 55.931 103.048 79.846 713 HA TYR 101 HA TYR 101 53.946 104.784 81.265 714 1HB TYR 101 1HB TYR 101 53.740 102.221 79.675 715 2HB TYR 101 2HB TYR 101 52.443 102.730 80.751 716 HD1 TYR 101 HD1 TYR 101 52.467 105.695 80.368 717 HD2 TYR 101 HD2 TYR 101 52.886 102.502 77.519 718 HE1 TYR 101 HE1 TYR 101 51.602 107.174 78.579 719 HE2 TYR 101 HE2 TYR 101 52.018 103.985 75.735 720 HH TYR 101 HH TYR 101 51.763 106.317 75.244 721 H ASP 102 H ASP 102 53.810 104.388 83.516 722 HA ASP 102 HA ASP 102 55.262 102.055 84.643 723 1HB ASP 102 1HB ASP 102 53.784 104.448 85.806 724 2HB ASP 102 2HB ASP 102 54.582 103.222 86.790 725 H MET 103 H MET 103 54.267 100.199 84.918 726 HA MET 103 HA MET 103 51.277 100.140 85.276 727 1HB MET 103 1HB MET 103 53.172 98.257 83.849 728 2HB MET 103 2HB MET 103 51.434 98.006 84.013 729 1HG MET 103 1HG MET 103 51.124 100.267 82.890 730 2HG MET 103 2HG MET 103 52.848 100.225 82.523 731 1HE MET 103 1HE MET 103 49.323 98.052 80.977 732 2HE MET 103 2HE MET 103 49.660 98.576 82.624 733 3HE MET 103 3HE MET 103 50.097 96.945 82.121 734 H VAL 104 H VAL 104 50.525 98.202 86.477 735 HA VAL 104 HA VAL 104 52.568 96.939 88.248 736 HB VAL 104 HB VAL 104 50.958 97.417 90.171 737 1HG1 VAL 104 1HG1 VAL 104 51.825 99.689 90.500 738 2HG1 VAL 104 2HG1 VAL 104 52.243 99.787 88.789 739 3HG1 VAL 104 3HG1 VAL 104 53.075 98.637 89.835 740 1HG2 VAL 104 1HG2 VAL 104 49.374 99.246 89.905 741 2HG2 VAL 104 2HG2 VAL 104 49.010 98.016 88.698 742 3HG2 VAL 104 3HG2 VAL 104 49.869 99.481 88.229 743 H ALA 105 H ALA 105 52.155 94.762 88.399 744 HA ALA 105 HA ALA 105 49.786 93.550 87.177 745 1HB ALA 105 1HB ALA 105 50.881 91.478 88.101 746 2HB ALA 105 2HB ALA 105 52.067 92.514 88.897 747 3HB ALA 105 3HB ALA 105 51.976 92.469 87.137 748 H ASP 106 H ASP 106 48.383 92.016 88.476 749 HA ASP 106 HA ASP 106 47.120 93.387 90.655 750 1HB ASP 106 1HB ASP 106 45.819 91.300 90.827 751 2HB ASP 106 2HB ASP 106 46.045 91.743 89.139 752 H ASP 107 H ASP 107 49.703 90.993 90.553 753 HA ASP 107 HA ASP 107 49.622 90.298 93.368 754 1HB ASP 107 1HB ASP 107 51.674 90.058 91.154 755 2HB ASP 107 2HB ASP 107 51.919 89.379 92.764 756 H GLY 108 H GLY 108 50.761 93.094 91.699 757 1HA GLY 108 1HA GLY 108 51.446 95.042 93.010 758 2HA GLY 108 2HA GLY 108 52.191 93.946 94.169 759 H THR 109 H THR 109 53.044 92.567 91.333 760 HA THR 109 HA THR 109 55.780 93.301 91.447 761 HB THR 109 HB THR 109 54.156 92.339 89.069 762 HG1 THR 109 HG1 THR 109 55.365 90.975 91.237 763 1HG2 THR 109 1HG2 THR 109 56.577 93.109 88.733 764 2HG2 THR 109 2HG2 THR 109 56.195 91.467 88.213 765 3HG2 THR 109 3HG2 THR 109 57.038 91.737 89.739 766 H GLU 110 H GLU 110 56.931 95.018 90.497 767 HA GLU 110 HA GLU 110 55.302 97.079 89.090 768 1HB GLU 110 1HB GLU 110 57.973 97.074 90.521 769 2HB GLU 110 2HB GLU 110 57.358 98.484 89.657 770 1HG GLU 110 1HG GLU 110 55.330 98.466 91.066 771 2HG GLU 110 2HG GLU 110 55.944 97.059 91.932 772 H PHE 111 H PHE 111 55.774 97.720 87.008 773 HA PHE 111 HA PHE 111 58.279 97.050 85.654 774 1HB PHE 111 1HB PHE 111 57.335 95.438 84.111 775 2HB PHE 111 2HB PHE 111 56.964 94.892 85.742 776 HD1 PHE 111 HD1 PHE 111 55.600 96.188 82.601 777 HD2 PHE 111 HD2 PHE 111 54.668 95.117 86.656 778 HE1 PHE 111 HE1 PHE 111 53.186 96.167 82.041 779 HE2 PHE 111 HE2 PHE 111 52.252 95.101 86.094 780 HZ PHE 111 HZ PHE 111 51.513 95.626 83.787 781 H ILE 112 H ILE 112 58.570 98.348 83.875 782 HA ILE 112 HA ILE 112 56.439 100.362 83.344 783 HB ILE 112 HB ILE 112 59.408 100.264 82.709 784 1HG1 ILE 112 1HG1 ILE 112 57.940 101.904 84.796 785 2HG1 ILE 112 2HG1 ILE 112 58.736 100.373 85.156 786 1HG2 ILE 112 1HG2 ILE 112 59.142 102.678 82.246 787 2HG2 ILE 112 2HG2 ILE 112 57.406 102.539 82.528 788 3HG2 ILE 112 3HG2 ILE 112 58.146 101.712 81.157 789 1HD1 ILE 112 1HD1 ILE 112 60.112 102.504 85.559 790 2HD1 ILE 112 2HD1 ILE 112 60.194 102.648 83.804 791 3HD1 ILE 112 3HD1 ILE 112 60.882 101.236 84.607 792 H ALA 113 H ALA 113 56.021 100.988 81.106 793 HA ALA 113 HA ALA 113 56.587 98.826 79.102 794 1HB ALA 113 1HB ALA 113 54.312 100.043 78.228 795 2HB ALA 113 2HB ALA 113 54.143 100.285 79.968 796 3HB ALA 113 3HB ALA 113 54.299 98.654 79.315 797 HA PRO 114 HA PRO 114 58.675 102.619 77.612 798 1HB PRO 114 1HB PRO 114 60.174 101.349 75.724 799 2HB PRO 114 2HB PRO 114 60.655 101.445 77.431 800 1HG PRO 114 1HG PRO 114 59.366 99.206 75.951 801 2HG PRO 114 2HG PRO 114 60.659 99.164 77.163 802 1HD PRO 114 1HD PRO 114 58.092 98.561 77.750 803 2HD PRO 114 2HD PRO 114 59.198 99.303 78.925 804 H ILE 115 H ILE 115 58.284 103.843 75.865 805 HA ILE 115 HA ILE 115 56.374 102.786 73.797 806 HB ILE 115 HB ILE 115 56.886 105.625 74.757 807 1HG1 ILE 115 1HG1 ILE 115 54.516 103.836 75.373 808 2HG1 ILE 115 2HG1 ILE 115 55.875 104.049 76.477 809 1HG2 ILE 115 1HG2 ILE 115 55.957 105.199 72.404 810 2HG2 ILE 115 2HG2 ILE 115 54.998 106.243 73.452 811 3HG2 ILE 115 3HG2 ILE 115 54.521 104.563 73.206 812 1HD1 ILE 115 1HD1 ILE 115 53.788 106.033 75.638 813 2HD1 ILE 115 2HD1 ILE 115 55.390 106.616 76.094 814 3HD1 ILE 115 3HD1 ILE 115 54.424 105.697 77.249 815 H ALA 116 H ALA 116 57.308 102.529 71.834 816 HA ALA 116 HA ALA 116 59.926 103.041 71.057 817 1HB ALA 116 1HB ALA 116 57.963 101.779 69.936 818 2HB ALA 116 2HB ALA 116 59.147 102.548 68.880 819 3HB ALA 116 3HB ALA 116 57.590 103.324 69.170 820 H ALA 117 H ALA 117 60.824 104.670 69.539 821 HA ALA 117 HA ALA 117 59.855 107.402 70.187 822 1HB ALA 117 1HB ALA 117 62.078 107.977 69.956 823 2HB ALA 117 2HB ALA 117 62.342 106.828 68.644 824 3HB ALA 117 3HB ALA 117 62.284 106.262 70.313 825 H PHE 118 H PHE 118 58.665 108.472 68.674 826 HA PHE 118 HA PHE 118 58.916 107.657 65.800 827 1HB PHE 118 1HB PHE 118 56.629 108.647 65.616 828 2HB PHE 118 2HB PHE 118 56.687 107.334 66.788 829 HD1 PHE 118 HD1 PHE 118 56.357 107.733 69.144 830 HD2 PHE 118 HD2 PHE 118 56.536 111.010 66.372 831 HE1 PHE 118 HE1 PHE 118 55.490 109.260 70.894 832 HE2 PHE 118 HE2 PHE 118 55.671 112.537 68.124 833 HZ PHE 118 HZ PHE 118 55.147 111.663 70.383 834 H VAL 119 H VAL 119 58.749 109.554 64.249 835 HA VAL 119 HA VAL 119 60.051 111.972 65.451 836 HB VAL 119 HB VAL 119 60.214 110.773 62.663 837 1HG1 VAL 119 1HG1 VAL 119 61.532 113.172 63.955 838 2HG1 VAL 119 2HG1 VAL 119 60.574 113.129 62.474 839 3HG1 VAL 119 3HG1 VAL 119 62.180 112.401 62.506 840 1HG2 VAL 119 1HG2 VAL 119 61.373 109.368 64.266 841 2HG2 VAL 119 2HG2 VAL 119 62.136 110.772 65.011 842 3HG2 VAL 119 3HG2 VAL 119 62.585 110.289 63.375 843 H LEU 120 H LEU 120 59.427 114.037 64.562 844 HA LEU 120 HA LEU 120 56.676 114.043 63.376 845 1HB LEU 120 1HB LEU 120 58.204 115.939 65.179 846 2HB LEU 120 2HB LEU 120 56.706 116.410 64.381 847 HG LEU 120 HG LEU 120 55.620 114.380 65.443 848 1HD1 LEU 120 1HD1 LEU 120 57.179 112.891 66.206 849 2HD1 LEU 120 2HD1 LEU 120 57.077 113.869 67.670 850 3HD1 LEU 120 3HD1 LEU 120 58.377 114.146 66.512 851 1HD2 LEU 120 1HD2 LEU 120 56.806 116.501 67.259 852 2HD2 LEU 120 2HD2 LEU 120 55.444 115.463 67.681 853 3HD2 LEU 120 3HD2 LEU 120 55.292 116.624 66.363 854 H SER 121 H SER 121 56.461 114.938 61.365 855 HA SER 121 HA SER 121 58.440 116.902 60.357 856 1HB SER 121 1HB SER 121 58.769 115.392 58.328 857 2HB SER 121 2HB SER 121 59.501 114.813 59.822 858 HG SER 121 HG SER 121 57.494 113.746 58.317 Start of MODEL 9 1 H ARG 6 1H ARG 6 55.885 85.765 81.911 2 HA ARG 6 HA ARG 6 53.408 86.415 82.223 3 1HB ARG 6 1HB ARG 6 54.770 85.405 84.032 4 2HB ARG 6 2HB ARG 6 55.356 87.008 84.478 5 1HG ARG 6 1HG ARG 6 53.252 87.697 85.267 6 2HG ARG 6 2HG ARG 6 52.401 86.439 84.372 7 1HD ARG 6 1HD ARG 6 52.439 85.790 86.720 8 2HD ARG 6 2HD ARG 6 53.569 84.733 85.852 9 HE ARG 6 HE ARG 6 55.139 86.893 86.583 10 1HH1 ARG 6 1HH2 ARG 6 53.083 86.991 88.874 11 2HH1 ARG 6 2HH2 ARG 6 53.911 86.066 90.082 12 1HH2 ARG 6 2HH1 ARG 6 56.199 84.712 87.857 13 2HH2 ARG 6 1HH1 ARG 6 55.675 84.776 89.507 14 H TYR 7 H TYR 7 55.866 88.911 82.316 15 HA TYR 7 HA TYR 7 53.736 90.991 82.695 16 1HB TYR 7 1HB TYR 7 56.733 91.057 83.197 17 2HB TYR 7 2HB TYR 7 55.622 92.391 83.506 18 HD1 TYR 7 HD1 TYR 7 53.330 91.323 84.776 19 HD2 TYR 7 HD2 TYR 7 57.407 90.028 85.171 20 HE1 TYR 7 HE1 TYR 7 52.813 90.373 87.007 21 HE2 TYR 7 HE2 TYR 7 56.889 89.078 87.402 22 HH TYR 7 HH TYR 7 55.019 88.318 88.688 23 H ARG 8 H ARG 8 53.162 91.669 80.669 24 HA ARG 8 HA ARG 8 55.256 92.776 78.869 25 1HB ARG 8 1HB ARG 8 53.463 90.415 78.311 26 2HB ARG 8 2HB ARG 8 54.061 91.422 76.993 27 1HG ARG 8 1HG ARG 8 56.396 91.061 77.912 28 2HG ARG 8 2HG ARG 8 55.701 89.858 79.000 29 1HD ARG 8 1HD ARG 8 56.511 88.675 77.042 30 2HD ARG 8 2HD ARG 8 54.740 88.714 76.926 31 HE ARG 8 HE ARG 8 54.916 90.350 75.187 32 1HH1 ARG 8 1HH2 ARG 8 57.525 88.581 74.898 33 2HH1 ARG 8 2HH2 ARG 8 58.653 89.825 74.477 34 1HH2 ARG 8 2HH1 ARG 8 56.545 92.418 75.405 35 2HH2 ARG 8 1HH1 ARG 8 58.099 91.998 74.764 36 H VAL 9 H VAL 9 54.529 94.567 77.861 37 HA VAL 9 HA VAL 9 51.628 95.047 77.399 38 HB VAL 9 HB VAL 9 53.432 96.809 79.102 39 1HG1 VAL 9 1HG1 VAL 9 51.369 97.641 77.523 40 2HG1 VAL 9 2HG1 VAL 9 51.819 98.423 79.037 41 3HG1 VAL 9 3HG1 VAL 9 50.502 97.250 79.008 42 1HG2 VAL 9 1HG2 VAL 9 51.627 96.237 80.851 43 2HG2 VAL 9 2HG2 VAL 9 52.789 94.969 80.465 44 3HG2 VAL 9 3HG2 VAL 9 51.169 94.919 79.773 45 H GLU 10 H GLU 10 51.616 95.640 75.299 46 HA GLU 10 HA GLU 10 53.858 97.297 74.155 47 1HB GLU 10 1HB GLU 10 53.362 95.037 73.199 48 2HB GLU 10 2HB GLU 10 51.708 95.568 72.887 49 1HG GLU 10 1HG GLU 10 52.560 97.380 71.441 50 2HG GLU 10 2HG GLU 10 54.212 96.850 71.750 51 H VAL 11 H VAL 11 53.426 99.339 73.703 52 HA VAL 11 HA VAL 11 50.562 100.216 73.501 53 HB VAL 11 HB VAL 11 53.039 101.677 74.483 54 1HG1 VAL 11 1HG1 VAL 11 51.245 103.092 73.378 55 2HG1 VAL 11 2HG1 VAL 11 51.568 103.491 75.065 56 3HG1 VAL 11 3HG1 VAL 11 50.141 102.546 74.641 57 1HG2 VAL 11 1HG2 VAL 11 52.110 99.829 75.953 58 2HG2 VAL 11 2HG2 VAL 11 50.610 100.753 76.044 59 3HG2 VAL 11 3HG2 VAL 11 52.104 101.431 76.692 60 H GLU 12 H GLU 12 50.009 101.377 71.636 61 HA GLU 12 HA GLU 12 52.230 102.098 69.745 62 1HB GLU 12 1HB GLU 12 50.896 100.096 69.104 63 2HB GLU 12 2HB GLU 12 49.428 101.069 69.184 64 1HG GLU 12 1HG GLU 12 50.315 102.562 67.430 65 2HG GLU 12 2HG GLU 12 51.783 101.590 67.345 66 H VAL 13 H VAL 13 52.145 104.182 68.968 67 HA VAL 13 HA VAL 13 49.685 105.817 69.525 68 HB VAL 13 HB VAL 13 52.613 106.564 69.835 69 1HG1 VAL 13 1HG1 VAL 13 50.037 108.099 70.224 70 2HG1 VAL 13 2HG1 VAL 13 51.424 108.537 69.227 71 3HG1 VAL 13 3HG1 VAL 13 51.549 108.594 70.986 72 1HG2 VAL 13 1HG2 VAL 13 52.159 105.230 71.702 73 2HG2 VAL 13 2HG2 VAL 13 50.464 105.716 71.761 74 3HG2 VAL 13 3HG2 VAL 13 51.722 106.833 72.294 75 H SER 14 H SER 14 49.000 107.099 67.875 76 HA SER 14 HA SER 14 50.769 107.322 65.468 77 1HB SER 14 1HB SER 14 48.964 105.676 65.176 78 2HB SER 14 2HB SER 14 47.771 106.876 65.661 79 HG SER 14 HG SER 14 49.170 106.579 63.282 80 HA PRO 15 HA PRO 15 49.564 111.601 66.456 81 1HB PRO 15 1HB PRO 15 51.791 112.801 65.466 82 2HB PRO 15 2HB PRO 15 51.748 112.057 67.078 83 1HG PRO 15 1HG PRO 15 52.871 110.998 64.537 84 2HG PRO 15 2HG PRO 15 53.505 110.888 66.185 85 1HD PRO 15 1HD PRO 15 52.215 108.845 64.946 86 2HD PRO 15 2HD PRO 15 52.209 109.078 66.706 87 H ARG 16 H ARG 16 49.279 113.529 65.090 88 HA ARG 16 HA ARG 16 49.415 113.232 62.157 89 1HB ARG 16 1HB ARG 16 46.946 113.441 61.930 90 2HB ARG 16 2HB ARG 16 47.393 111.960 62.774 91 1HG ARG 16 1HG ARG 16 47.046 113.209 64.949 92 2HG ARG 16 2HG ARG 16 46.368 114.533 64.002 93 1HD ARG 16 1HD ARG 16 44.671 112.963 63.063 94 2HD ARG 16 2HD ARG 16 45.316 111.683 64.109 95 HE ARG 16 HE ARG 16 44.814 113.294 66.042 96 1HH1 ARG 16 1HH2 ARG 16 43.801 115.181 63.674 97 2HH1 ARG 16 2HH2 ARG 16 42.105 115.139 64.019 98 1HH2 ARG 16 2HH1 ARG 16 42.345 112.469 66.217 99 2HH2 ARG 16 1HH1 ARG 16 41.281 113.604 65.459 100 H PHE 17 H PHE 17 49.783 115.202 61.327 101 HA PHE 17 HA PHE 17 50.094 117.565 62.876 102 1HB PHE 17 1HB PHE 17 51.153 117.034 60.696 103 2HB PHE 17 2HB PHE 17 49.591 117.241 59.903 104 HD1 PHE 17 HD1 PHE 17 52.098 119.016 62.031 105 HD2 PHE 17 HD2 PHE 17 48.847 119.384 59.248 106 HE1 PHE 17 HE1 PHE 17 52.496 121.460 61.890 107 HE2 PHE 17 HE2 PHE 17 49.245 121.829 59.108 108 HZ PHE 17 HZ PHE 17 51.068 122.866 60.429 109 H LEU 18 H LEU 18 48.719 119.280 63.329 110 HA LEU 18 HA LEU 18 45.882 119.113 62.327 111 1HB LEU 18 1HB LEU 18 47.080 120.090 64.940 112 2HB LEU 18 2HB LEU 18 45.387 120.301 64.503 113 HG LEU 18 HG LEU 18 46.792 117.619 64.649 114 1HD1 LEU 18 1HD1 LEU 18 45.394 119.284 66.672 115 2HD1 LEU 18 2HD1 LEU 18 46.619 118.035 66.893 116 3HD1 LEU 18 3HD1 LEU 18 44.936 117.582 66.630 117 1HD2 LEU 18 1HD2 LEU 18 44.954 117.454 63.144 118 2HD2 LEU 18 2HD2 LEU 18 43.947 118.509 64.135 119 3HD2 LEU 18 3HD2 LEU 18 44.323 116.877 64.686 120 H ALA 19 H ALA 19 46.590 120.353 60.485 121 HA ALA 19 HA ALA 19 47.671 123.051 60.580 122 1HB ALA 19 1HB ALA 19 47.305 121.230 58.691 123 2HB ALA 19 2HB ALA 19 47.286 122.950 58.305 124 3HB ALA 19 3HB ALA 19 45.768 122.072 58.494 125 H HIS 20 H HIS 20 44.347 121.761 60.657 126 HA HIS 20 HA HIS 20 43.057 124.325 60.361 127 1HB HIS 20 1HB HIS 20 42.108 122.019 59.930 128 2HB HIS 20 2HB HIS 20 42.011 121.802 61.678 129 HD1 HIS 20 HD1 HIS 20 40.887 124.427 59.134 130 HD2 HIS 20 HD2 HIS 20 39.580 122.642 62.668 131 HE1 HIS 20 HE1 HIS 20 38.602 125.401 59.625 132 H GLN 21 H GLN 21 44.454 122.683 63.119 133 HA GLN 21 HA GLN 21 43.284 124.788 64.915 134 1HB GLN 21 1HB GLN 21 44.011 121.882 65.351 135 2HB GLN 21 2HB GLN 21 43.620 122.980 66.675 136 1HG GLN 21 1HG GLN 21 41.420 123.429 65.681 137 2HG GLN 21 2HG GLN 21 41.807 122.372 64.322 138 1HE2 GLN 21 1HE2 GLN 21 39.611 121.976 66.278 139 2HE2 GLN 21 2HE2 GLN 21 39.917 120.490 67.040 140 H SER 22 H SER 22 45.795 125.131 63.425 141 HA SER 22 HA SER 22 47.553 125.687 65.718 142 1HB SER 22 1HB SER 22 49.301 124.201 65.066 143 2HB SER 22 2HB SER 22 47.824 123.245 65.012 144 HG SER 22 HG SER 22 49.526 123.972 63.008 145 H THR 23 H THR 23 49.120 127.277 65.210 146 HA THR 23 HA THR 23 49.057 128.349 62.406 147 HB THR 23 HB THR 23 49.488 129.752 65.068 148 HG1 THR 23 HG1 THR 23 47.408 129.805 65.108 149 1HG2 THR 23 1HG2 THR 23 48.811 131.186 62.543 150 2HG2 THR 23 2HG2 THR 23 50.464 130.598 62.726 151 3HG2 THR 23 3HG2 THR 23 49.790 131.718 63.909 152 HA PRO 24 HA PRO 24 53.306 126.860 63.248 153 1HB PRO 24 1HB PRO 24 54.025 126.529 60.631 154 2HB PRO 24 2HB PRO 24 53.147 125.298 61.560 155 1HG PRO 24 1HG PRO 24 52.114 127.274 59.591 156 2HG PRO 24 2HG PRO 24 51.666 125.578 59.831 157 1HD PRO 24 1HD PRO 24 50.169 127.648 60.743 158 2HD PRO 24 2HD PRO 24 50.221 126.060 61.538 159 H ASP 25 H ASP 25 52.098 129.391 61.125 160 HA ASP 25 HA ASP 25 54.605 130.634 60.486 161 1HB ASP 25 1HB ASP 25 52.285 130.933 59.436 162 2HB ASP 25 2HB ASP 25 51.916 131.995 60.795 163 H GLU 26 H GLU 26 52.629 130.716 63.374 164 HA GLU 26 HA GLU 26 54.241 132.997 64.449 165 1HB GLU 26 1HB GLU 26 51.602 131.713 65.199 166 2HB GLU 26 2HB GLU 26 52.375 132.958 66.180 167 1HG GLU 26 1HG GLU 26 52.357 134.496 64.250 168 2HG GLU 26 2HG GLU 26 51.583 133.254 63.267 169 H GLY 27 H GLY 27 55.037 130.026 64.240 170 1HA GLY 27 1HA GLY 27 56.316 128.574 65.569 171 2HA GLY 27 2HA GLY 27 56.330 129.827 66.811 172 H ARG 28 H ARG 28 53.361 128.546 65.460 173 HA ARG 28 HA ARG 28 52.785 127.229 68.096 174 1HB ARG 28 1HB ARG 28 51.609 129.435 67.205 175 2HB ARG 28 2HB ARG 28 50.664 128.285 66.255 176 1HG ARG 28 1HG ARG 28 49.923 127.137 68.237 177 2HG ARG 28 2HG ARG 28 51.044 128.046 69.250 178 1HD ARG 28 1HD ARG 28 49.107 129.280 69.619 179 2HD ARG 28 2HD ARG 28 49.708 130.121 68.175 180 HE ARG 28 HE ARG 28 48.211 128.680 66.816 181 1HH1 ARG 28 2HH1 ARG 28 47.753 126.504 68.821 182 2HH1 ARG 28 1HH1 ARG 28 46.160 126.868 69.396 183 1HH2 ARG 28 1HH2 ARG 28 46.167 130.110 68.166 184 2HH2 ARG 28 2HH2 ARG 28 45.262 128.909 69.025 185 H TYR 29 H TYR 29 53.427 125.109 67.361 186 HA TYR 29 HA TYR 29 51.910 123.998 65.030 187 1HB TYR 29 1HB TYR 29 54.333 122.977 66.556 188 2HB TYR 29 2HB TYR 29 53.657 122.256 65.099 189 HD1 TYR 29 HD1 TYR 29 55.463 125.173 66.468 190 HD2 TYR 29 HD2 TYR 29 53.985 123.260 62.918 191 HE1 TYR 29 HE1 TYR 29 56.822 126.709 65.074 192 HE2 TYR 29 HE2 TYR 29 55.344 124.797 61.525 193 HH TYR 29 HH TYR 29 56.416 127.507 62.290 194 H ALA 30 H ALA 30 50.295 122.542 65.463 195 HA ALA 30 HA ALA 30 50.116 121.501 68.264 196 1HB ALA 30 1HB ALA 30 47.815 121.902 68.183 197 2HB ALA 30 2HB ALA 30 47.754 121.762 66.426 198 3HB ALA 30 3HB ALA 30 48.431 123.209 67.173 199 H PHE 31 H PHE 31 50.416 119.313 68.393 200 HA PHE 31 HA PHE 31 49.677 117.615 66.029 201 1HB PHE 31 1HB PHE 31 51.847 117.438 68.131 202 2HB PHE 31 2HB PHE 31 51.417 116.061 67.120 203 HD1 PHE 31 HD1 PHE 31 52.786 119.501 67.115 204 HD2 PHE 31 HD2 PHE 31 51.983 115.987 64.781 205 HE1 PHE 31 HE1 PHE 31 54.208 120.385 65.287 206 HE2 PHE 31 HE2 PHE 31 53.402 116.875 62.952 207 HZ PHE 31 HZ PHE 31 54.515 119.077 63.205 208 H ALA 32 H ALA 32 48.166 115.982 66.430 209 HA ALA 32 HA ALA 32 47.306 115.561 69.274 210 1HB ALA 32 1HB ALA 32 45.398 116.278 68.183 211 2HB ALA 32 2HB ALA 32 45.310 114.575 67.737 212 3HB ALA 32 3HB ALA 32 45.983 115.749 66.606 213 H TYR 33 H TYR 33 47.664 113.484 70.076 214 HA TYR 33 HA TYR 33 48.288 111.368 68.044 215 1HB TYR 33 1HB TYR 33 50.109 110.630 69.450 216 2HB TYR 33 2HB TYR 33 50.274 112.361 69.192 217 HD1 TYR 33 HD1 TYR 33 50.018 109.742 71.615 218 HD2 TYR 33 HD2 TYR 33 49.349 113.940 71.032 219 HE1 TYR 33 HE1 TYR 33 50.066 110.086 74.068 220 HE2 TYR 33 HE2 TYR 33 49.387 114.281 73.487 221 HH TYR 33 HH TYR 33 49.134 111.792 75.701 222 H SER 34 H SER 34 47.493 109.300 68.455 223 HA SER 34 HA SER 34 45.512 109.078 70.684 224 1HB SER 34 1HB SER 34 45.941 107.638 68.050 225 2HB SER 34 2HB SER 34 44.723 107.149 69.224 226 HG SER 34 HG SER 34 44.666 109.150 67.419 227 H ILE 35 H ILE 35 45.771 107.496 72.241 228 HA ILE 35 HA ILE 35 48.328 105.914 72.212 229 HB ILE 35 HB ILE 35 46.413 106.841 74.369 230 1HG1 ILE 35 1HG1 ILE 35 47.771 108.630 73.334 231 2HG1 ILE 35 2HG1 ILE 35 48.279 108.330 74.992 232 1HG2 ILE 35 1HG2 ILE 35 47.302 105.005 75.436 233 2HG2 ILE 35 2HG2 ILE 35 48.624 106.136 75.728 234 3HG2 ILE 35 3HG2 ILE 35 48.736 104.970 74.410 235 1HD1 ILE 35 1HD1 ILE 35 49.853 106.568 73.534 236 2HD1 ILE 35 2HD1 ILE 35 50.375 108.134 74.151 237 3HD1 ILE 35 3HD1 ILE 35 49.779 107.992 72.498 238 H ARG 36 H ARG 36 48.250 103.765 72.110 239 HA ARG 36 HA ARG 36 45.637 102.347 72.559 240 1HB ARG 36 1HB ARG 36 46.463 102.530 70.191 241 2HB ARG 36 2HB ARG 36 47.910 101.643 70.672 242 1HG ARG 36 1HG ARG 36 46.503 99.743 71.394 243 2HG ARG 36 2HG ARG 36 45.061 100.624 70.886 244 1HD ARG 36 1HD ARG 36 47.346 100.024 68.983 245 2HD ARG 36 2HD ARG 36 45.944 98.951 69.174 246 HE ARG 36 HE ARG 36 45.464 101.837 68.610 247 1HH1 ARG 36 1HH2 ARG 36 46.386 99.794 66.393 248 2HH1 ARG 36 2HH2 ARG 36 44.853 99.475 65.652 249 1HH2 ARG 36 2HH1 ARG 36 43.016 100.879 68.236 250 2HH2 ARG 36 1HH1 ARG 36 42.945 100.089 66.697 251 H ILE 37 H ILE 37 46.031 101.653 74.675 252 HA ILE 37 HA ILE 37 48.599 100.362 75.411 253 HB ILE 37 HB ILE 37 46.019 100.895 76.924 254 1HG1 ILE 37 1HG1 ILE 37 48.643 102.406 77.046 255 2HG1 ILE 37 2HG1 ILE 37 47.290 102.911 76.034 256 1HG2 ILE 37 1HG2 ILE 37 47.904 99.115 77.668 257 2HG2 ILE 37 2HG2 ILE 37 47.043 100.119 78.831 258 3HG2 ILE 37 3HG2 ILE 37 48.652 100.588 78.284 259 1HD1 ILE 37 1HD1 ILE 37 47.421 102.754 79.043 260 2HD1 ILE 37 2HD1 ILE 37 45.875 102.769 78.196 261 3HD1 ILE 37 3HD1 ILE 37 46.982 104.132 78.034 262 H GLN 38 H GLN 38 48.835 98.222 74.893 263 HA GLN 38 HA GLN 38 46.429 96.427 75.086 264 1HB GLN 38 1HB GLN 38 47.332 96.768 72.787 265 2HB GLN 38 2HB GLN 38 48.916 96.228 73.345 266 1HG GLN 38 1HG GLN 38 47.958 94.036 73.955 267 2HG GLN 38 2HG GLN 38 46.374 94.573 73.394 268 1HE2 GLN 38 1HE2 GLN 38 46.006 93.520 71.430 269 2HE2 GLN 38 2HE2 GLN 38 47.127 93.421 70.160 270 H ASN 39 H ASN 39 46.593 94.741 76.456 271 HA ASN 39 HA ASN 39 49.059 94.522 78.066 272 1HB ASN 39 1HB ASN 39 46.761 94.700 79.061 273 2HB ASN 39 2HB ASN 39 46.377 93.129 78.359 274 1HD2 ASN 39 1HD2 ASN 39 48.299 94.754 80.853 275 2HD2 ASN 39 2HD2 ASN 39 48.746 93.340 81.679 276 H ALA 40 H ALA 40 50.587 93.027 77.438 277 HA ALA 40 HA ALA 40 49.661 90.537 76.030 278 1HB ALA 40 1HB ALA 40 51.014 91.754 74.528 279 2HB ALA 40 2HB ALA 40 52.170 90.653 75.277 280 3HB ALA 40 3HB ALA 40 52.076 92.330 75.812 281 H GLY 41 H GLY 41 50.382 91.414 79.053 282 1HA GLY 41 1HA GLY 41 52.431 89.398 79.671 283 2HA GLY 41 2HA GLY 41 51.603 90.429 80.840 284 H ALA 42 H ALA 42 51.814 87.807 81.539 285 HA ALA 42 HA ALA 42 49.470 86.298 80.637 286 1HB ALA 42 1HB ALA 42 51.205 85.635 83.002 287 2HB ALA 42 2HB ALA 42 51.854 85.506 81.368 288 3HB ALA 42 3HB ALA 42 50.459 84.538 81.842 289 H VAL 43 H VAL 43 50.451 88.232 83.389 290 HA VAL 43 HA VAL 43 47.865 87.678 84.786 291 HB VAL 43 HB VAL 43 50.478 88.986 85.643 292 1HG1 VAL 43 1HG1 VAL 43 49.611 89.071 87.870 293 2HG1 VAL 43 2HG1 VAL 43 48.190 88.126 87.425 294 3HG1 VAL 43 3HG1 VAL 43 48.367 89.778 86.838 295 1HG2 VAL 43 1HG2 VAL 43 49.267 86.297 86.356 296 2HG2 VAL 43 2HG2 VAL 43 50.811 86.926 86.932 297 3HG2 VAL 43 3HG2 VAL 43 50.597 86.540 85.224 298 HA PRO 44 HA PRO 44 46.156 91.469 83.364 299 1HB PRO 44 1HB PRO 44 44.688 92.221 85.556 300 2HB PRO 44 2HB PRO 44 44.165 90.972 84.406 301 1HG PRO 44 1HG PRO 44 45.527 90.650 87.045 302 2HG PRO 44 2HG PRO 44 44.136 89.771 86.383 303 1HD PRO 44 1HD PRO 44 46.565 88.693 86.338 304 2HD PRO 44 2HD PRO 44 45.450 88.481 84.973 305 H ALA 45 H ALA 45 46.674 93.650 83.489 306 HA ALA 45 HA ALA 45 48.267 94.630 85.834 307 1HB ALA 45 1HB ALA 45 49.022 95.015 82.933 308 2HB ALA 45 2HB ALA 45 49.645 93.686 83.910 309 3HB ALA 45 3HB ALA 45 50.003 95.353 84.358 310 H ARG 46 H ARG 46 48.189 96.882 86.115 311 HA ARG 46 HA ARG 46 46.261 98.388 84.377 312 1HB ARG 46 1HB ARG 46 45.499 99.466 86.489 313 2HB ARG 46 2HB ARG 46 45.269 97.720 86.532 314 1HG ARG 46 1HG ARG 46 47.232 97.412 87.892 315 2HG ARG 46 2HG ARG 46 47.705 99.099 87.685 316 1HD ARG 46 1HD ARG 46 46.311 99.798 89.346 317 2HD ARG 46 2HD ARG 46 44.980 98.774 88.769 318 HE ARG 46 HE ARG 46 45.886 96.932 90.043 319 1HH1 ARG 46 2HH1 ARG 46 46.569 99.838 91.396 320 2HH1 ARG 46 1HH1 ARG 46 47.990 99.346 92.257 321 1HH2 ARG 46 1HH2 ARG 46 48.220 96.280 90.654 322 2HH2 ARG 46 2HH2 ARG 46 48.924 97.332 91.837 323 H LEU 47 H LEU 47 46.695 100.746 84.331 324 HA LEU 47 HA LEU 47 49.607 101.322 84.584 325 1HB LEU 47 1HB LEU 47 48.146 101.691 82.498 326 2HB LEU 47 2HB LEU 47 47.411 103.028 83.383 327 HG LEU 47 HG LEU 47 50.405 102.800 83.067 328 1HD1 LEU 47 1HD1 LEU 47 49.873 102.955 80.818 329 2HD1 LEU 47 2HD1 LEU 47 49.849 104.663 81.255 330 3HD1 LEU 47 3HD1 LEU 47 48.338 103.763 81.129 331 1HD2 LEU 47 1HD2 LEU 47 49.891 105.413 83.194 332 2HD2 LEU 47 2HD2 LEU 47 50.003 104.434 84.655 333 3HD2 LEU 47 3HD2 LEU 47 48.423 104.842 83.990 334 H VAL 48 H VAL 48 50.238 102.294 86.476 335 HA VAL 48 HA VAL 48 48.236 103.870 88.017 336 HB VAL 48 HB VAL 48 49.418 101.981 89.089 337 1HG1 VAL 48 1HG1 VAL 48 52.018 103.231 89.386 338 2HG1 VAL 48 2HG1 VAL 48 51.651 102.988 87.681 339 3HG1 VAL 48 3HG1 VAL 48 51.621 101.620 88.789 340 1HG2 VAL 48 1HG2 VAL 48 48.737 103.756 90.559 341 2HG2 VAL 48 2HG2 VAL 48 50.104 104.760 90.078 342 3HG2 VAL 48 3HG2 VAL 48 50.374 103.305 91.035 343 H ALA 49 H ALA 49 51.230 104.250 86.215 344 HA ALA 49 HA ALA 49 51.078 107.179 86.786 345 1HB ALA 49 1HB ALA 49 53.162 107.235 87.731 346 2HB ALA 49 2HB ALA 49 53.784 105.966 86.677 347 3HB ALA 49 3HB ALA 49 52.806 105.544 88.082 348 H ARG 50 H ARG 50 52.385 108.474 85.255 349 HA ARG 50 HA ARG 50 52.997 107.160 82.616 350 1HB ARG 50 1HB ARG 50 51.696 108.893 81.511 351 2HB ARG 50 2HB ARG 50 50.670 108.070 82.683 352 1HG ARG 50 1HG ARG 50 51.262 109.925 84.322 353 2HG ARG 50 2HG ARG 50 51.981 110.784 82.962 354 1HD ARG 50 1HD ARG 50 49.820 110.727 81.766 355 2HD ARG 50 2HD ARG 50 49.089 109.860 83.131 356 HE ARG 50 HE ARG 50 49.391 111.843 84.505 357 1HH1 ARG 50 1HH2 ARG 50 48.226 112.876 81.844 358 2HH1 ARG 50 2HH2 ARG 50 49.207 114.282 81.595 359 1HH2 ARG 50 2HH1 ARG 50 51.600 113.352 83.925 360 2HH2 ARG 50 1HH1 ARG 50 51.117 114.551 82.772 361 H HIS 51 H HIS 51 54.812 107.954 81.687 362 HA HIS 51 HA HIS 51 55.943 110.569 82.597 363 1HB HIS 51 1HB HIS 51 56.877 108.760 83.995 364 2HB HIS 51 2HB HIS 51 57.323 107.858 82.548 365 HD1 HIS 51 HD1 HIS 51 59.841 108.021 83.400 366 HD2 HIS 51 HD2 HIS 51 58.087 111.661 82.379 367 HE1 HIS 51 HE1 HIS 51 61.733 109.689 83.175 368 H TRP 52 H TRP 52 56.026 111.672 80.695 369 HA TRP 52 HA TRP 52 56.782 110.247 78.178 370 1HB TRP 52 1HB TRP 52 55.307 112.752 78.943 371 2HB TRP 52 2HB TRP 52 55.970 112.591 77.317 372 HD1 TRP 52 HD1 TRP 52 53.045 111.646 79.379 373 HE1 TRP 52 HE1 TRP 52 51.547 109.981 78.101 374 HE3 TRP 52 HE3 TRP 52 56.177 110.410 75.541 375 HZ2 TRP 52 HZ2 TRP 52 51.666 108.341 75.756 376 HZ3 TRP 52 HZ3 TRP 52 55.463 108.795 73.803 377 HH2 TRP 52 HH2 TRP 52 53.212 107.760 73.906 378 H GLN 53 H GLN 53 58.713 110.659 77.216 379 HA GLN 53 HA GLN 53 60.418 112.891 78.281 380 1HB GLN 53 1HB GLN 53 61.177 110.569 78.725 381 2HB GLN 53 2HB GLN 53 61.140 110.234 76.993 382 1HG GLN 53 1HG GLN 53 62.823 111.993 76.607 383 2HG GLN 53 2HG GLN 53 62.860 112.340 78.337 384 1HE2 GLN 53 1HE2 GLN 53 65.163 111.398 76.788 385 2HE2 GLN 53 2HE2 GLN 53 65.598 109.882 77.417 386 H ILE 54 H ILE 54 59.298 114.298 76.631 387 HA ILE 54 HA ILE 54 59.701 113.644 73.786 388 HB ILE 54 HB ILE 54 58.307 115.547 73.398 389 1HG1 ILE 54 1HG1 ILE 54 58.668 116.358 76.300 390 2HG1 ILE 54 2HG1 ILE 54 59.505 117.117 74.949 391 1HG2 ILE 54 1HG2 ILE 54 57.484 113.449 74.921 392 2HG2 ILE 54 2HG2 ILE 54 56.409 114.713 74.327 393 3HG2 ILE 54 3HG2 ILE 54 57.047 114.800 75.967 394 1HD1 ILE 54 1HD1 ILE 54 56.539 117.090 75.503 395 2HD1 ILE 54 2HD1 ILE 54 57.199 117.523 73.926 396 3HD1 ILE 54 3HD1 ILE 54 57.604 118.487 75.347 397 H THR 55 H THR 55 61.383 114.297 72.569 398 HA THR 55 HA THR 55 63.127 116.535 73.565 399 HB THR 55 HB THR 55 63.862 114.038 71.967 400 HG1 THR 55 HG1 THR 55 63.941 113.155 73.853 401 1HG2 THR 55 1HG2 THR 55 65.707 115.208 71.428 402 2HG2 THR 55 2HG2 THR 55 66.153 115.152 73.132 403 3HG2 THR 55 3HG2 THR 55 65.259 116.534 72.500 404 H ASP 56 H ASP 56 63.314 118.207 72.226 405 HA ASP 56 HA ASP 56 61.937 118.051 69.636 406 1HB ASP 56 1HB ASP 56 61.658 119.866 71.406 407 2HB ASP 56 2HB ASP 56 63.267 120.429 70.954 408 H GLY 57 H GLY 57 62.996 119.265 67.774 409 1HA GLY 57 1HA GLY 57 65.428 118.003 67.016 410 2HA GLY 57 2HA GLY 57 64.686 119.351 66.166 411 H ASN 58 H ASN 58 65.112 120.628 69.177 412 HA ASN 58 HA ASN 58 67.777 121.723 68.405 413 1HB ASN 58 1HB ASN 58 67.120 123.570 69.954 414 2HB ASN 58 2HB ASN 58 65.921 123.318 68.687 415 1HD2 ASN 58 1HD2 ASN 58 64.489 124.444 70.412 416 2HD2 ASN 58 2HD2 ASN 58 63.749 123.450 71.572 417 H GLY 59 H GLY 59 66.754 119.231 70.222 418 1HA GLY 59 1HA GLY 59 68.179 117.972 71.687 419 2HA GLY 59 2HA GLY 59 69.096 119.440 72.014 420 H ARG 60 H ARG 60 66.692 121.050 72.644 421 HA ARG 60 HA ARG 60 66.539 120.598 75.459 422 1HB ARG 60 1HB ARG 60 65.368 122.321 73.406 423 2HB ARG 60 2HB ARG 60 64.209 121.957 74.681 424 1HG ARG 60 1HG ARG 60 65.208 123.589 75.884 425 2HG ARG 60 2HG ARG 60 66.563 122.478 76.082 426 1HD ARG 60 1HD ARG 60 67.338 124.659 75.191 427 2HD ARG 60 2HD ARG 60 67.574 123.380 73.983 428 HE ARG 60 HE ARG 60 65.753 124.278 72.715 429 1HH1 ARG 60 1HH2 ARG 60 66.813 126.937 73.394 430 2HH1 ARG 60 2HH2 ARG 60 65.449 127.736 74.100 431 1HH2 ARG 60 2HH1 ARG 60 63.687 124.804 74.664 432 2HH2 ARG 60 1HH1 ARG 60 63.679 126.529 74.820 433 H THR 61 H THR 61 65.046 119.448 76.726 434 HA THR 61 HA THR 61 62.938 117.920 75.252 435 HB THR 61 HB THR 61 63.580 115.940 76.579 436 HG1 THR 61 HG1 THR 61 65.662 117.579 77.579 437 1HG2 THR 61 1HG2 THR 61 64.896 116.836 74.438 438 2HG2 THR 61 2HG2 THR 61 65.421 115.392 75.302 439 3HG2 THR 61 3HG2 THR 61 66.218 116.936 75.599 440 H GLU 62 H GLU 62 61.055 117.399 76.550 441 HA GLU 62 HA GLU 62 60.874 118.909 79.138 442 1HB GLU 62 1HB GLU 62 58.902 118.453 76.881 443 2HB GLU 62 2HB GLU 62 58.434 119.130 78.441 444 1HG GLU 62 1HG GLU 62 60.059 120.961 78.140 445 2HG GLU 62 2HG GLU 62 60.528 120.288 76.578 446 H GLN 63 H GLN 63 60.588 117.546 80.834 447 HA GLN 63 HA GLN 63 59.555 114.779 80.367 448 1HB GLN 63 1HB GLN 63 61.781 115.349 81.465 449 2HB GLN 63 2HB GLN 63 60.848 116.003 82.813 450 1HG GLN 63 1HG GLN 63 59.736 113.820 83.107 451 2HG GLN 63 2HG GLN 63 60.672 113.165 81.762 452 1HE2 GLN 63 1HE2 GLN 63 62.444 111.991 82.485 453 2HE2 GLN 63 2HE2 GLN 63 63.348 112.339 83.879 454 H VAL 64 H VAL 64 57.586 114.172 81.206 455 HA VAL 64 HA VAL 64 56.262 116.006 83.180 456 HB VAL 64 HB VAL 64 55.065 114.572 80.781 457 1HG1 VAL 64 1HG1 VAL 64 52.999 115.745 81.346 458 2HG1 VAL 64 2HG1 VAL 64 53.786 116.531 82.714 459 3HG1 VAL 64 3HG1 VAL 64 53.520 114.787 82.732 460 1HG2 VAL 64 1HG2 VAL 64 56.371 116.468 80.050 461 2HG2 VAL 64 2HG2 VAL 64 55.714 117.482 81.335 462 3HG2 VAL 64 3HG2 VAL 64 54.675 116.954 80.010 463 H ASP 65 H ASP 65 55.536 115.007 84.953 464 HA ASP 65 HA ASP 65 55.148 112.024 84.940 465 1HB ASP 65 1HB ASP 65 56.464 113.887 86.937 466 2HB ASP 65 2HB ASP 65 56.051 112.213 87.308 467 H GLY 66 H GLY 66 53.078 111.490 85.576 468 1HA GLY 66 1HA GLY 66 51.712 113.160 87.601 469 2HA GLY 66 2HA GLY 66 50.915 113.021 86.034 470 H GLU 67 H GLU 67 50.067 112.004 88.713 471 HA GLU 67 HA GLU 67 50.353 109.123 88.761 472 1HB GLU 67 1HB GLU 67 49.786 110.675 90.673 473 2HB GLU 67 2HB GLU 67 48.187 110.880 89.956 474 1HG GLU 67 1HG GLU 67 48.038 109.145 91.643 475 2HG GLU 67 2HG GLU 67 47.895 108.384 90.058 476 H GLY 68 H GLY 68 48.741 107.546 88.168 477 1HA GLY 68 1HA GLY 68 47.207 106.601 86.677 478 2HA GLY 68 2HA GLY 68 46.192 107.966 87.128 479 H VAL 69 H VAL 69 45.542 107.477 84.784 480 HA VAL 69 HA VAL 69 47.136 109.222 82.920 481 HB VAL 69 HB VAL 69 46.367 107.596 81.135 482 1HG1 VAL 69 1HG1 VAL 69 47.966 105.715 82.067 483 2HG1 VAL 69 2HG1 VAL 69 48.270 106.899 83.339 484 3HG1 VAL 69 3HG1 VAL 69 48.606 107.306 81.655 485 1HG2 VAL 69 1HG2 VAL 69 44.516 106.584 82.478 486 2HG2 VAL 69 2HG2 VAL 69 45.722 105.838 83.527 487 3HG2 VAL 69 3HG2 VAL 69 45.621 105.372 81.830 488 H VAL 70 H VAL 70 45.980 110.815 82.124 489 HA VAL 70 HA VAL 70 44.184 112.290 81.887 490 HB VAL 70 HB VAL 70 42.634 111.487 80.188 491 1HG1 VAL 70 1HG1 VAL 70 45.370 111.427 79.939 492 2HG1 VAL 70 2HG1 VAL 70 44.229 111.268 78.605 493 3HG1 VAL 70 3HG1 VAL 70 44.915 109.826 79.354 494 1HG2 VAL 70 1HG2 VAL 70 42.351 109.153 79.644 495 2HG2 VAL 70 2HG2 VAL 70 42.073 109.344 81.372 496 3HG2 VAL 70 3HG2 VAL 70 43.600 108.678 80.792 497 H GLY 71 H GLY 71 44.137 110.978 84.443 498 1HA GLY 71 1HA GLY 71 42.685 111.228 86.284 499 2HA GLY 71 2HA GLY 71 41.374 111.580 85.170 500 H GLU 72 H GLU 72 43.077 108.622 84.519 501 HA GLU 72 HA GLU 72 41.134 107.066 86.168 502 1HB GLU 72 1HB GLU 72 40.420 105.796 84.163 503 2HB GLU 72 2HB GLU 72 40.030 107.510 84.033 504 1HG GLU 72 1HG GLU 72 41.923 107.900 82.605 505 2HG GLU 72 2HG GLU 72 42.532 106.270 82.865 506 H GLN 73 H GLN 73 41.719 104.927 86.568 507 HA GLN 73 HA GLN 73 44.537 104.139 85.860 508 1HB GLN 73 1HB GLN 73 42.752 103.694 88.273 509 2HB GLN 73 2HB GLN 73 44.289 102.858 88.044 510 1HG GLN 73 1HG GLN 73 45.506 104.940 88.046 511 2HG GLN 73 2HG GLN 73 44.010 105.874 88.018 512 1HE2 GLN 73 1HE2 GLN 73 46.348 105.406 90.114 513 2HE2 GLN 73 2HE2 GLN 73 45.493 105.183 91.563 514 HA PRO 74 HA PRO 74 41.349 101.304 83.883 515 1HB PRO 74 1HB PRO 74 42.896 100.684 81.716 516 2HB PRO 74 2HB PRO 74 41.804 102.082 81.767 517 1HG PRO 74 1HG PRO 74 44.749 101.967 82.181 518 2HG PRO 74 2HG PRO 74 43.778 103.162 81.305 519 1HD PRO 74 1HD PRO 74 44.734 103.600 83.795 520 2HD PRO 74 2HD PRO 74 43.209 104.300 83.212 521 H TRP 75 H TRP 75 41.358 99.107 84.133 522 HA TRP 75 HA TRP 75 43.848 97.798 85.151 523 1HB TRP 75 1HB TRP 75 41.468 97.964 86.304 524 2HB TRP 75 2HB TRP 75 41.070 96.641 85.209 525 HD1 TRP 75 HD1 TRP 75 43.667 97.537 87.918 526 HE1 TRP 75 HE1 TRP 75 44.447 95.352 89.043 527 HE3 TRP 75 HE3 TRP 75 41.155 94.132 85.061 528 HZ2 TRP 75 HZ2 TRP 75 44.054 92.533 88.768 529 HZ3 TRP 75 HZ3 TRP 75 41.374 91.705 85.515 530 HH2 TRP 75 HH2 TRP 75 42.819 90.903 87.362 531 H LEU 76 H LEU 76 44.555 97.708 82.792 532 HA LEU 76 HA LEU 76 43.109 96.337 80.766 533 1HB LEU 76 1HB LEU 76 45.360 97.769 80.877 534 2HB LEU 76 2HB LEU 76 46.086 96.160 80.891 535 HG LEU 76 HG LEU 76 44.735 95.582 78.866 536 1HD1 LEU 76 1HD1 LEU 76 42.899 96.940 78.676 537 2HD1 LEU 76 2HD1 LEU 76 44.007 97.918 77.716 538 3HD1 LEU 76 3HD1 LEU 76 43.717 98.322 79.406 539 1HD2 LEU 76 1HD2 LEU 76 46.208 96.625 77.353 540 2HD2 LEU 76 2HD2 LEU 76 47.110 96.654 78.870 541 3HD2 LEU 76 3HD2 LEU 76 46.285 98.107 78.306 542 H ARG 77 H ARG 77 42.448 94.266 80.778 543 HA ARG 77 HA ARG 77 43.824 92.211 82.401 544 1HB ARG 77 1HB ARG 77 41.258 92.557 80.894 545 2HB ARG 77 2HB ARG 77 41.833 90.911 81.164 546 1HG ARG 77 1HG ARG 77 42.198 91.929 83.644 547 2HG ARG 77 2HG ARG 77 40.831 92.911 83.119 548 1HD ARG 77 1HD ARG 77 40.876 89.882 82.893 549 2HD ARG 77 2HD ARG 77 40.152 90.754 84.259 550 HE ARG 77 HE ARG 77 39.032 92.013 82.084 551 1HH1 ARG 77 2HH1 ARG 77 38.089 89.590 84.005 552 2HH1 ARG 77 1HH1 ARG 77 37.212 88.676 82.822 553 1HH2 ARG 77 1HH2 ARG 77 38.461 90.466 80.128 554 2HH2 ARG 77 2HH2 ARG 77 37.424 89.172 80.627 555 HA PRO 78 HA PRO 78 46.257 90.518 79.165 556 1HB PRO 78 1HB PRO 78 45.651 87.848 79.120 557 2HB PRO 78 2HB PRO 78 46.691 88.587 80.356 558 1HG PRO 78 1HG PRO 78 43.813 87.840 80.504 559 2HG PRO 78 2HG PRO 78 45.090 87.666 81.719 560 1HD PRO 78 1HD PRO 78 43.246 89.651 81.797 561 2HD PRO 78 2HD PRO 78 44.896 89.837 82.431 562 H GLY 79 H GLY 79 45.933 90.677 77.023 563 1HA GLY 79 1HA GLY 79 44.966 90.157 74.896 564 2HA GLY 79 2HA GLY 79 43.617 89.389 75.727 565 H GLU 80 H GLU 80 43.481 92.016 77.438 566 HA GLU 80 HA GLU 80 41.602 93.380 75.603 567 1HB GLU 80 1HB GLU 80 42.297 93.534 78.543 568 2HB GLU 80 2HB GLU 80 41.190 94.682 77.790 569 1HG GLU 80 1HG GLU 80 39.848 92.716 76.953 570 2HG GLU 80 2HG GLU 80 40.878 91.673 77.932 571 H ALA 81 H ALA 81 41.668 95.821 75.546 572 HA ALA 81 HA ALA 81 44.371 96.993 75.894 573 1HB ALA 81 1HB ALA 81 44.260 95.996 73.635 574 2HB ALA 81 2HB ALA 81 44.334 97.755 73.535 575 3HB ALA 81 3HB ALA 81 42.798 96.923 73.298 576 H PHE 82 H PHE 82 44.313 99.304 76.049 577 HA PHE 82 HA PHE 82 41.570 100.498 76.301 578 1HB PHE 82 1HB PHE 82 42.784 100.211 78.431 579 2HB PHE 82 2HB PHE 82 44.164 101.092 77.773 580 HD1 PHE 82 HD1 PHE 82 44.069 103.509 77.413 581 HD2 PHE 82 HD2 PHE 82 40.704 101.365 79.006 582 HE1 PHE 82 HE1 PHE 82 43.021 105.653 78.088 583 HE2 PHE 82 HE2 PHE 82 39.658 103.509 79.681 584 HZ PHE 82 HZ PHE 82 40.816 105.653 79.221 585 H HIS 83 H HIS 83 41.330 102.644 75.370 586 HA HIS 83 HA HIS 83 43.709 103.781 73.986 587 1HB HIS 83 1HB HIS 83 42.376 103.925 71.889 588 2HB HIS 83 2HB HIS 83 42.610 102.258 72.412 589 HD1 HIS 83 HD1 HIS 83 39.984 104.919 72.078 590 HD2 HIS 83 HD2 HIS 83 40.243 100.951 73.327 591 HE1 HIS 83 HE1 HIS 83 37.604 104.082 72.306 592 H TYR 84 H TYR 84 43.682 106.019 73.898 593 HA TYR 84 HA TYR 84 41.156 107.492 74.311 594 1HB TYR 84 1HB TYR 84 41.924 108.600 76.323 595 2HB TYR 84 2HB TYR 84 42.086 106.867 76.574 596 HD1 TYR 84 HD1 TYR 84 43.863 110.042 76.123 597 HD2 TYR 84 HD2 TYR 84 44.315 105.799 76.582 598 HE1 TYR 84 HE1 TYR 84 46.265 110.356 76.647 599 HE2 TYR 84 HE2 TYR 84 46.719 106.107 77.100 600 HH TYR 84 HH TYR 84 48.298 109.220 76.769 601 H THR 85 H THR 85 41.466 109.843 73.876 602 HA THR 85 HA THR 85 43.707 110.273 71.949 603 HB THR 85 HB THR 85 41.123 111.790 72.431 604 HG1 THR 85 HG1 THR 85 40.282 110.196 71.388 605 1HG2 THR 85 1HG2 THR 85 41.722 112.420 69.943 606 2HG2 THR 85 2HG2 THR 85 43.363 112.022 70.453 607 3HG2 THR 85 3HG2 THR 85 42.468 113.297 71.280 608 H SER 86 H SER 86 45.245 111.838 72.317 609 HA SER 86 HA SER 86 44.894 113.598 74.721 610 1HB SER 86 1HB SER 86 46.472 111.880 75.209 611 2HB SER 86 2HB SER 86 47.267 112.071 73.647 612 HG SER 86 HG SER 86 47.167 113.943 75.785 613 H GLY 87 H GLY 87 46.420 115.621 74.515 614 1HA GLY 87 1HA GLY 87 46.980 116.347 71.685 615 2HA GLY 87 2HA GLY 87 45.951 117.416 72.636 616 H VAL 88 H VAL 88 48.989 117.166 71.554 617 HA VAL 88 HA VAL 88 50.146 118.638 73.906 618 HB VAL 88 HB VAL 88 51.398 116.538 72.096 619 1HG1 VAL 88 1HG1 VAL 88 52.592 118.504 74.030 620 2HG1 VAL 88 2HG1 VAL 88 53.205 117.971 72.464 621 3HG1 VAL 88 3HG1 VAL 88 53.321 116.906 73.865 622 1HG2 VAL 88 1HG2 VAL 88 49.868 116.069 74.241 623 2HG2 VAL 88 2HG2 VAL 88 51.383 116.400 75.080 624 3HG2 VAL 88 3HG2 VAL 88 51.297 115.096 73.897 625 H LEU 89 H LEU 89 51.575 120.360 73.317 626 HA LEU 89 HA LEU 89 51.306 121.236 70.468 627 1HB LEU 89 1HB LEU 89 51.788 122.754 73.053 628 2HB LEU 89 2HB LEU 89 51.643 123.502 71.463 629 HG LEU 89 HG LEU 89 49.489 121.704 72.580 630 1HD1 LEU 89 1HD1 LEU 89 50.176 123.934 73.901 631 2HD1 LEU 89 2HD1 LEU 89 48.491 123.453 73.702 632 3HD1 LEU 89 3HD1 LEU 89 49.192 124.672 72.638 633 1HD2 LEU 89 1HD2 LEU 89 49.534 122.187 70.134 634 2HD2 LEU 89 2HD2 LEU 89 49.465 123.912 70.496 635 3HD2 LEU 89 3HD2 LEU 89 48.109 122.865 70.921 636 H LEU 90 H LEU 90 53.165 121.841 69.327 637 HA LEU 90 HA LEU 90 55.793 121.402 70.711 638 1HB LEU 90 1HB LEU 90 54.845 120.771 67.899 639 2HB LEU 90 2HB LEU 90 56.525 120.620 68.417 640 HG LEU 90 HG LEU 90 54.202 119.214 69.762 641 1HD1 LEU 90 1HD1 LEU 90 55.159 118.622 67.265 642 2HD1 LEU 90 2HD1 LEU 90 54.464 117.435 68.367 643 3HD1 LEU 90 3HD1 LEU 90 56.214 117.636 68.279 644 1HD2 LEU 90 1HD2 LEU 90 57.206 119.170 70.081 645 2HD2 LEU 90 2HD2 LEU 90 56.203 117.826 70.629 646 3HD2 LEU 90 3HD2 LEU 90 55.979 119.434 71.319 647 H GLU 91 H GLU 91 57.460 122.942 70.204 648 HA GLU 91 HA GLU 91 56.583 125.567 69.339 649 1HB GLU 91 1HB GLU 91 58.323 125.098 71.048 650 2HB GLU 91 2HB GLU 91 59.349 124.401 69.794 651 1HG GLU 91 1HG GLU 91 59.361 126.561 68.597 652 2HG GLU 91 2HG GLU 91 58.339 127.261 69.851 653 H THR 92 H THR 92 58.098 122.827 67.734 654 HA THR 92 HA THR 92 58.299 124.479 65.236 655 HB THR 92 HB THR 92 60.493 123.891 66.182 656 HG1 THR 92 HG1 THR 92 61.279 123.182 64.317 657 1HG2 THR 92 1HG2 THR 92 59.338 121.100 66.136 658 2HG2 THR 92 2HG2 THR 92 60.040 121.966 67.502 659 3HG2 THR 92 3HG2 THR 92 61.077 121.391 66.197 660 H GLU 93 H GLU 93 58.298 122.963 63.234 661 HA GLU 93 HA GLU 93 55.879 121.299 63.371 662 1HB GLU 93 1HB GLU 93 56.700 123.026 61.590 663 2HB GLU 93 2HB GLU 93 57.666 121.681 60.983 664 1HG GLU 93 1HG GLU 93 55.628 120.302 60.779 665 2HG GLU 93 2HG GLU 93 54.659 121.645 61.384 666 H GLN 94 H GLN 94 58.920 120.503 64.273 667 HA GLN 94 HA GLN 94 58.602 117.724 63.269 668 1HB GLN 94 1HB GLN 94 61.042 117.711 62.726 669 2HB GLN 94 2HB GLN 94 60.144 118.884 61.765 670 1HG GLN 94 1HG GLN 94 60.838 120.688 63.286 671 2HG GLN 94 2HG GLN 94 61.706 119.524 64.288 672 1HE2 GLN 94 1HE2 GLN 94 62.902 121.805 62.811 673 2HE2 GLN 94 2HE2 GLN 94 64.015 121.132 61.720 674 H GLY 95 H GLY 95 59.530 116.126 64.789 675 1HA GLY 95 1HA GLY 95 61.241 116.767 66.946 676 2HA GLY 95 2HA GLY 95 59.598 116.990 67.533 677 H GLN 96 H GLN 96 61.238 115.159 68.701 678 HA GLN 96 HA GLN 96 60.184 112.481 67.800 679 1HB GLN 96 1HB GLN 96 62.682 113.186 69.379 680 2HB GLN 96 2HB GLN 96 62.233 111.582 68.804 681 1HG GLN 96 1HG GLN 96 62.199 112.694 66.445 682 2HG GLN 96 2HG GLN 96 63.152 113.965 67.215 683 1HE2 GLN 96 1HE2 GLN 96 63.844 111.651 65.218 684 2HE2 GLN 96 2HE2 GLN 96 65.229 110.953 65.909 685 H MET 97 H MET 97 58.809 111.522 69.293 686 HA MET 97 HA MET 97 58.918 112.517 72.127 687 1HB MET 97 1HB MET 97 56.991 113.350 70.830 688 2HB MET 97 2HB MET 97 56.551 111.695 70.410 689 1HG MET 97 1HG MET 97 56.219 111.174 72.801 690 2HG MET 97 2HG MET 97 56.658 112.827 73.220 691 1HE MET 97 1HE MET 97 54.579 114.712 73.522 692 2HE MET 97 2HE MET 97 54.065 115.062 71.873 693 3HE MET 97 3HE MET 97 55.768 114.758 72.213 694 H GLN 98 H GLN 98 59.636 110.860 73.439 695 HA GLN 98 HA GLN 98 58.614 108.079 72.942 696 1HB GLN 98 1HB GLN 98 61.023 108.511 72.276 697 2HB GLN 98 2HB GLN 98 61.345 108.944 73.954 698 1HG GLN 98 1HG GLN 98 60.590 106.711 74.682 699 2HG GLN 98 2HG GLN 98 60.273 106.272 73.003 700 1HE2 GLN 98 1HE2 GLN 98 62.214 104.916 74.725 701 2HE2 GLN 98 2HE2 GLN 98 63.746 105.152 74.031 702 H GLY 99 H GLY 99 58.157 106.938 74.972 703 1HA GLY 99 1HA GLY 99 58.760 108.281 77.511 704 2HA GLY 99 2HA GLY 99 57.057 108.368 77.073 705 H HIS 100 H HIS 100 57.376 107.125 79.339 706 HA HIS 100 HA HIS 100 57.113 104.228 78.666 707 1HB HIS 100 1HB HIS 100 58.702 105.602 80.846 708 2HB HIS 100 2HB HIS 100 58.248 103.905 80.974 709 HD1 HIS 100 HD1 HIS 100 60.031 106.199 78.492 710 HD2 HIS 100 HD2 HIS 100 60.041 102.220 79.735 711 HE1 HIS 100 HE1 HIS 100 61.924 105.065 77.250 712 H TYR 101 H TYR 101 55.660 103.085 80.092 713 HA TYR 101 HA TYR 101 53.834 104.864 81.663 714 1HB TYR 101 1HB TYR 101 53.438 102.534 79.811 715 2HB TYR 101 2HB TYR 101 52.257 102.793 81.090 716 HD1 TYR 101 HD1 TYR 101 52.154 105.766 81.249 717 HD2 TYR 101 HD2 TYR 101 52.357 103.163 77.831 718 HE1 TYR 101 HE1 TYR 101 51.052 107.496 79.863 719 HE2 TYR 101 HE2 TYR 101 51.252 104.900 76.450 720 HH TYR 101 HH TYR 101 49.579 107.409 77.648 721 H ASP 102 H ASP 102 53.726 104.338 83.892 722 HA ASP 102 HA ASP 102 55.144 101.933 84.854 723 1HB ASP 102 1HB ASP 102 55.186 104.252 85.921 724 2HB ASP 102 2HB ASP 102 53.493 104.002 86.348 725 H MET 103 H MET 103 54.195 100.052 85.018 726 HA MET 103 HA MET 103 51.203 99.893 85.320 727 1HB MET 103 1HB MET 103 52.543 99.198 83.153 728 2HB MET 103 2HB MET 103 52.933 97.764 84.101 729 1HG MET 103 1HG MET 103 50.962 97.077 83.086 730 2HG MET 103 2HG MET 103 50.335 97.760 84.586 731 1HE MET 103 1HE MET 103 51.473 100.158 81.207 732 2HE MET 103 2HE MET 103 50.332 99.120 80.357 733 3HE MET 103 3HE MET 103 51.643 98.398 81.288 734 H VAL 104 H VAL 104 50.470 98.004 86.562 735 HA VAL 104 HA VAL 104 52.547 96.725 88.291 736 HB VAL 104 HB VAL 104 50.951 97.160 90.229 737 1HG1 VAL 104 1HG1 VAL 104 53.053 98.444 89.781 738 2HG1 VAL 104 2HG1 VAL 104 51.818 99.382 90.621 739 3HG1 VAL 104 3HG1 VAL 104 52.089 99.628 88.895 740 1HG2 VAL 104 1HG2 VAL 104 49.744 99.066 88.195 741 2HG2 VAL 104 2HG2 VAL 104 49.407 99.104 89.925 742 3HG2 VAL 104 3HG2 VAL 104 48.933 97.702 88.966 743 H ALA 105 H ALA 105 52.171 94.544 88.412 744 HA ALA 105 HA ALA 105 49.828 93.308 87.174 745 1HB ALA 105 1HB ALA 105 50.956 91.244 87.986 746 2HB ALA 105 2HB ALA 105 52.067 92.238 88.929 747 3HB ALA 105 3HB ALA 105 52.089 92.319 87.168 748 H ASP 106 H ASP 106 48.470 91.712 88.440 749 HA ASP 106 HA ASP 106 47.140 93.000 90.633 750 1HB ASP 106 1HB ASP 106 46.246 91.277 89.005 751 2HB ASP 106 2HB ASP 106 47.152 90.055 89.897 752 H ASP 107 H ASP 107 49.782 90.663 90.492 753 HA ASP 107 HA ASP 107 49.707 89.888 93.278 754 1HB ASP 107 1HB ASP 107 51.798 89.808 91.090 755 2HB ASP 107 2HB ASP 107 52.046 89.083 92.679 756 H GLY 108 H GLY 108 50.736 92.795 91.744 757 1HA GLY 108 1HA GLY 108 51.336 94.718 93.120 758 2HA GLY 108 2HA GLY 108 52.089 93.612 94.267 759 H THR 109 H THR 109 53.086 92.340 91.440 760 HA THR 109 HA THR 109 55.784 93.175 91.646 761 HB THR 109 HB THR 109 54.287 92.249 89.172 762 HG1 THR 109 HG1 THR 109 55.387 90.832 91.364 763 1HG2 THR 109 1HG2 THR 109 57.175 92.214 90.039 764 2HG2 THR 109 2HG2 THR 109 56.489 92.835 88.539 765 3HG2 THR 109 3HG2 THR 109 56.566 91.096 88.819 766 H GLU 110 H GLU 110 56.881 94.975 90.823 767 HA GLU 110 HA GLU 110 55.235 97.000 89.385 768 1HB GLU 110 1HB GLU 110 56.994 98.560 90.172 769 2HB GLU 110 2HB GLU 110 56.316 97.632 91.507 770 1HG GLU 110 1HG GLU 110 58.225 96.178 91.581 771 2HG GLU 110 2HG GLU 110 58.841 96.806 90.054 772 H PHE 111 H PHE 111 55.821 97.780 87.377 773 HA PHE 111 HA PHE 111 58.406 97.333 86.135 774 1HB PHE 111 1HB PHE 111 57.733 95.619 84.550 775 2HB PHE 111 2HB PHE 111 57.360 95.033 86.167 776 HD1 PHE 111 HD1 PHE 111 56.006 96.079 82.946 777 HD2 PHE 111 HD2 PHE 111 55.000 95.059 86.996 778 HE1 PHE 111 HE1 PHE 111 53.636 95.782 82.282 779 HE2 PHE 111 HE2 PHE 111 52.630 94.763 86.331 780 HZ PHE 111 HZ PHE 111 51.948 95.123 83.974 781 H ILE 112 H ILE 112 58.585 98.487 84.185 782 HA ILE 112 HA ILE 112 56.331 100.363 83.655 783 HB ILE 112 HB ILE 112 58.126 101.720 82.604 784 1HG1 ILE 112 1HG1 ILE 112 60.087 99.642 83.588 785 2HG1 ILE 112 2HG1 ILE 112 59.449 99.588 81.944 786 1HG2 ILE 112 1HG2 ILE 112 59.258 102.294 84.640 787 2HG2 ILE 112 2HG2 ILE 112 59.018 100.677 85.301 788 3HG2 ILE 112 3HG2 ILE 112 57.641 101.758 85.092 789 1HD1 ILE 112 1HD1 ILE 112 61.120 101.744 83.231 790 2HD1 ILE 112 2HD1 ILE 112 60.161 102.065 81.786 791 3HD1 ILE 112 3HD1 ILE 112 61.440 100.850 81.746 792 H ALA 113 H ALA 113 55.798 100.892 81.435 793 HA ALA 113 HA ALA 113 56.384 98.702 79.469 794 1HB ALA 113 1HB ALA 113 53.911 100.433 79.853 795 2HB ALA 113 2HB ALA 113 54.052 98.739 80.323 796 3HB ALA 113 3HB ALA 113 54.098 99.188 78.619 797 HA PRO 114 HA PRO 114 58.327 102.509 77.838 798 1HB PRO 114 1HB PRO 114 59.697 101.255 75.846 799 2HB PRO 114 2HB PRO 114 60.291 101.342 77.516 800 1HG PRO 114 1HG PRO 114 58.908 99.108 76.118 801 2HG PRO 114 2HG PRO 114 60.284 99.062 77.234 802 1HD PRO 114 1HD PRO 114 57.771 98.447 78.003 803 2HD PRO 114 2HD PRO 114 58.952 99.197 79.097 804 H ILE 115 H ILE 115 57.752 103.763 76.201 805 HA ILE 115 HA ILE 115 55.728 102.740 74.230 806 HB ILE 115 HB ILE 115 56.367 105.559 75.178 807 1HG1 ILE 115 1HG1 ILE 115 53.992 103.829 75.927 808 2HG1 ILE 115 2HG1 ILE 115 55.428 103.979 76.940 809 1HG2 ILE 115 1HG2 ILE 115 54.245 104.363 73.396 810 2HG2 ILE 115 2HG2 ILE 115 55.329 105.712 73.056 811 3HG2 ILE 115 3HG2 ILE 115 54.007 105.913 74.205 812 1HD1 ILE 115 1HD1 ILE 115 55.023 106.554 76.678 813 2HD1 ILE 115 2HD1 ILE 115 54.036 105.643 77.821 814 3HD1 ILE 115 3HD1 ILE 115 53.386 106.071 76.239 815 H ALA 116 H ALA 116 56.528 102.483 72.203 816 HA ALA 116 HA ALA 116 59.122 102.980 71.298 817 1HB ALA 116 1HB ALA 116 56.442 102.844 69.910 818 2HB ALA 116 2HB ALA 116 57.647 101.567 70.077 819 3HB ALA 116 3HB ALA 116 57.955 102.936 69.008 820 H ALA 117 H ALA 117 60.161 104.700 70.243 821 HA ALA 117 HA ALA 117 58.959 107.375 70.598 822 1HB ALA 117 1HB ALA 117 61.666 106.631 69.479 823 2HB ALA 117 2HB ALA 117 61.334 106.586 71.211 824 3HB ALA 117 3HB ALA 117 61.209 108.108 70.328 825 H PHE 118 H PHE 118 57.812 108.239 68.927 826 HA PHE 118 HA PHE 118 58.476 107.402 66.128 827 1HB PHE 118 1HB PHE 118 56.131 108.208 65.673 828 2HB PHE 118 2HB PHE 118 56.196 106.872 66.818 829 HD1 PHE 118 HD1 PHE 118 55.475 107.133 69.080 830 HD2 PHE 118 HD2 PHE 118 55.827 110.556 66.513 831 HE1 PHE 118 HE1 PHE 118 54.290 108.515 70.764 832 HE2 PHE 118 HE2 PHE 118 54.640 111.940 68.196 833 HZ PHE 118 HZ PHE 118 53.872 110.918 70.320 834 H VAL 119 H VAL 119 58.107 109.286 64.503 835 HA VAL 119 HA VAL 119 59.197 111.799 65.720 836 HB VAL 119 HB VAL 119 59.499 110.604 62.941 837 1HG1 VAL 119 1HG1 VAL 119 60.717 113.062 64.236 838 2HG1 VAL 119 2HG1 VAL 119 59.632 113.031 62.847 839 3HG1 VAL 119 3HG1 VAL 119 61.263 112.375 62.707 840 1HG2 VAL 119 1HG2 VAL 119 61.465 110.840 65.245 841 2HG2 VAL 119 2HG2 VAL 119 61.832 110.196 63.645 842 3HG2 VAL 119 3HG2 VAL 119 60.702 109.346 64.701 843 H LEU 120 H LEU 120 58.421 113.797 64.840 844 HA LEU 120 HA LEU 120 55.719 113.614 63.542 845 1HB LEU 120 1HB LEU 120 57.001 115.594 65.451 846 2HB LEU 120 2HB LEU 120 55.483 115.923 64.620 847 HG LEU 120 HG LEU 120 54.606 113.746 65.607 848 1HD1 LEU 120 1HD1 LEU 120 57.315 113.878 66.834 849 2HD1 LEU 120 2HD1 LEU 120 56.346 112.471 66.397 850 3HD1 LEU 120 3HD1 LEU 120 55.992 113.361 67.878 851 1HD2 LEU 120 1HD2 LEU 120 55.396 115.603 67.826 852 2HD2 LEU 120 2HD2 LEU 120 53.832 114.858 67.498 853 3HD2 LEU 120 3HD2 LEU 120 54.386 116.214 66.517 854 H SER 121 H SER 121 55.490 114.595 61.571 855 HA SER 121 HA SER 121 57.365 116.721 60.707 856 1HB SER 121 1HB SER 121 58.070 115.403 58.752 857 2HB SER 121 2HB SER 121 58.465 114.538 60.234 858 HG SER 121 HG SER 121 57.426 113.213 58.658 Start of MODEL 10 1 H ARG 6 1H ARG 6 55.109 86.554 80.844 2 HA ARG 6 HA ARG 6 53.111 86.652 82.133 3 1HB ARG 6 1HB ARG 6 55.219 87.020 84.280 4 2HB ARG 6 2HB ARG 6 53.493 86.935 84.635 5 1HG ARG 6 1HG ARG 6 53.376 84.716 83.564 6 2HG ARG 6 2HG ARG 6 55.102 84.796 83.211 7 1HD ARG 6 1HD ARG 6 55.581 84.959 85.649 8 2HD ARG 6 2HD ARG 6 53.844 84.798 85.978 9 HE ARG 6 HE ARG 6 53.931 82.529 85.178 10 1HH1 ARG 6 1HH2 ARG 6 56.400 82.400 86.813 11 2HH1 ARG 6 2HH2 ARG 6 57.570 81.789 85.691 12 1HH2 ARG 6 2HH1 ARG 6 55.659 82.525 82.891 13 2HH2 ARG 6 1HH1 ARG 6 57.149 81.860 83.470 14 H TYR 7 H TYR 7 55.595 89.127 82.406 15 HA TYR 7 HA TYR 7 53.471 91.205 82.825 16 1HB TYR 7 1HB TYR 7 56.453 91.242 83.412 17 2HB TYR 7 2HB TYR 7 55.318 92.534 83.797 18 HD1 TYR 7 HD1 TYR 7 53.000 91.284 84.905 19 HD2 TYR 7 HD2 TYR 7 57.115 90.132 85.349 20 HE1 TYR 7 HE1 TYR 7 52.454 90.153 87.043 21 HE2 TYR 7 HE2 TYR 7 56.567 89.003 87.488 22 HH TYR 7 HH TYR 7 54.851 89.105 89.232 23 H ARG 8 H ARG 8 52.966 91.692 80.664 24 HA ARG 8 HA ARG 8 55.097 93.046 79.073 25 1HB ARG 8 1HB ARG 8 53.426 90.651 78.275 26 2HB ARG 8 2HB ARG 8 54.200 91.694 77.083 27 1HG ARG 8 1HG ARG 8 56.396 91.257 78.121 28 2HG ARG 8 2HG ARG 8 55.626 90.209 79.311 29 1HD ARG 8 1HD ARG 8 54.843 88.713 77.503 30 2HD ARG 8 2HD ARG 8 55.628 89.761 76.304 31 HE ARG 8 HE ARG 8 57.731 88.931 77.018 32 1HH1 ARG 8 1HH2 ARG 8 57.528 89.454 79.910 33 2HH1 ARG 8 2HH2 ARG 8 57.497 87.864 80.595 34 1HH2 ARG 8 2HH1 ARG 8 56.696 86.305 77.603 35 2HH2 ARG 8 1HH1 ARG 8 57.026 86.080 79.288 36 H VAL 9 H VAL 9 54.319 94.801 78.024 37 HA VAL 9 HA VAL 9 51.434 95.119 77.391 38 HB VAL 9 HB VAL 9 52.986 96.907 79.305 39 1HG1 VAL 9 1HG1 VAL 9 50.484 97.791 79.527 40 2HG1 VAL 9 2HG1 VAL 9 50.368 97.174 77.879 41 3HG1 VAL 9 3HG1 VAL 9 51.559 98.414 78.274 42 1HG2 VAL 9 1HG2 VAL 9 52.302 94.976 80.521 43 2HG2 VAL 9 2HG2 VAL 9 50.748 94.910 79.690 44 3HG2 VAL 9 3HG2 VAL 9 51.069 96.190 80.859 45 H GLU 10 H GLU 10 51.583 95.746 75.292 46 HA GLU 10 HA GLU 10 53.748 97.656 74.432 47 1HB GLU 10 1HB GLU 10 53.528 95.309 73.445 48 2HB GLU 10 2HB GLU 10 51.969 95.825 72.802 49 1HG GLU 10 1HG GLU 10 53.649 96.159 71.083 50 2HG GLU 10 2HG GLU 10 53.135 97.740 71.674 51 H VAL 11 H VAL 11 53.144 99.636 73.902 52 HA VAL 11 HA VAL 11 50.233 100.194 73.412 53 HB VAL 11 HB VAL 11 52.421 101.936 74.600 54 1HG1 VAL 11 1HG1 VAL 11 50.929 103.483 73.710 55 2HG1 VAL 11 2HG1 VAL 11 50.203 103.207 75.293 56 3HG1 VAL 11 3HG1 VAL 11 49.549 102.397 73.870 57 1HG2 VAL 11 1HG2 VAL 11 51.958 100.477 76.339 58 2HG2 VAL 11 2HG2 VAL 11 50.328 100.139 75.760 59 3HG2 VAL 11 3HG2 VAL 11 50.670 101.653 76.596 60 H GLU 12 H GLU 12 49.720 101.414 71.575 61 HA GLU 12 HA GLU 12 51.999 102.214 69.782 62 1HB GLU 12 1HB GLU 12 49.245 101.059 69.254 63 2HB GLU 12 2HB GLU 12 50.287 101.698 67.983 64 1HG GLU 12 1HG GLU 12 51.117 99.505 69.901 65 2HG GLU 12 2HG GLU 12 50.477 99.209 68.284 66 H VAL 13 H VAL 13 51.941 104.304 69.026 67 HA VAL 13 HA VAL 13 49.487 105.952 69.571 68 HB VAL 13 HB VAL 13 52.419 106.670 69.917 69 1HG1 VAL 13 1HG1 VAL 13 51.288 108.668 69.324 70 2HG1 VAL 13 2HG1 VAL 13 51.335 108.694 71.087 71 3HG1 VAL 13 3HG1 VAL 13 49.854 108.228 70.251 72 1HG2 VAL 13 1HG2 VAL 13 51.396 106.960 72.367 73 2HG2 VAL 13 2HG2 VAL 13 52.003 105.401 71.808 74 3HG2 VAL 13 3HG2 VAL 13 50.272 105.735 71.779 75 H SER 14 H SER 14 48.830 107.243 67.909 76 HA SER 14 HA SER 14 50.633 107.452 65.525 77 1HB SER 14 1HB SER 14 48.809 105.828 65.218 78 2HB SER 14 2HB SER 14 47.627 107.048 65.680 79 HG SER 14 HG SER 14 49.076 106.733 63.328 80 HA PRO 15 HA PRO 15 49.461 111.743 66.467 81 1HB PRO 15 1HB PRO 15 51.727 112.914 65.524 82 2HB PRO 15 2HB PRO 15 51.634 112.183 67.139 83 1HG PRO 15 1HG PRO 15 52.823 111.102 64.639 84 2HG PRO 15 2HG PRO 15 53.397 110.980 66.310 85 1HD PRO 15 1HD PRO 15 52.111 108.962 65.009 86 2HD PRO 15 2HD PRO 15 52.075 109.178 66.771 87 H ARG 16 H ARG 16 49.192 113.659 65.079 88 HA ARG 16 HA ARG 16 49.408 113.348 62.152 89 1HB ARG 16 1HB ARG 16 46.945 113.525 61.854 90 2HB ARG 16 2HB ARG 16 47.386 112.054 62.722 91 1HG ARG 16 1HG ARG 16 46.961 113.311 64.877 92 2HG ARG 16 2HG ARG 16 46.297 114.623 63.903 93 1HD ARG 16 1HD ARG 16 44.648 113.025 62.920 94 2HD ARG 16 2HD ARG 16 45.272 111.763 64.001 95 HE ARG 16 HE ARG 16 44.760 113.826 65.739 96 1HH1 ARG 16 2HH1 ARG 16 42.787 114.278 63.272 97 2HH1 ARG 16 1HH1 ARG 16 41.329 113.688 63.994 98 1HH2 ARG 16 1HH2 ARG 16 42.945 112.200 66.677 99 2HH2 ARG 16 2HH2 ARG 16 41.418 112.512 65.922 100 H PHE 17 H PHE 17 49.748 115.315 61.301 101 HA PHE 17 HA PHE 17 49.999 117.694 62.842 102 1HB PHE 17 1HB PHE 17 51.118 117.156 60.694 103 2HB PHE 17 2HB PHE 17 49.575 117.342 59.860 104 HD1 PHE 17 HD1 PHE 17 51.984 119.162 62.065 105 HD2 PHE 17 HD2 PHE 17 48.849 119.468 59.144 106 HE1 PHE 17 HE1 PHE 17 52.359 121.610 61.918 107 HE2 PHE 17 HE2 PHE 17 49.225 121.915 58.997 108 HZ PHE 17 HZ PHE 17 50.980 122.986 60.383 109 H LEU 18 H LEU 18 48.589 119.395 63.243 110 HA LEU 18 HA LEU 18 45.782 119.193 62.164 111 1HB LEU 18 1HB LEU 18 46.850 120.307 64.781 112 2HB LEU 18 2HB LEU 18 45.157 120.309 64.298 113 HG LEU 18 HG LEU 18 46.802 117.778 64.499 114 1HD1 LEU 18 1HD1 LEU 18 46.728 118.115 66.742 115 2HD1 LEU 18 2HD1 LEU 18 45.010 117.749 66.605 116 3HD1 LEU 18 3HD1 LEU 18 45.556 119.424 66.598 117 1HD2 LEU 18 1HD2 LEU 18 43.856 117.811 64.848 118 2HD2 LEU 18 2HD2 LEU 18 44.870 116.679 63.954 119 3HD2 LEU 18 3HD2 LEU 18 44.424 118.224 63.231 120 H ALA 19 H ALA 19 46.549 120.415 60.328 121 HA ALA 19 HA ALA 19 47.588 123.128 60.430 122 1HB ALA 19 1HB ALA 19 45.766 122.050 58.306 123 2HB ALA 19 2HB ALA 19 47.352 121.314 58.542 124 3HB ALA 19 3HB ALA 19 47.226 123.026 58.136 125 H HIS 20 H HIS 20 44.280 121.795 60.430 126 HA HIS 20 HA HIS 20 42.967 124.341 60.071 127 1HB HIS 20 1HB HIS 20 42.119 121.640 61.151 128 2HB HIS 20 2HB HIS 20 40.986 122.971 60.913 129 HD1 HIS 20 HD1 HIS 20 40.678 123.832 58.418 130 HD2 HIS 20 HD2 HIS 20 42.865 120.304 58.798 131 HE1 HIS 20 HE1 HIS 20 40.794 122.809 56.105 132 H GLN 21 H GLN 21 44.320 122.748 62.875 133 HA GLN 21 HA GLN 21 43.097 124.867 64.619 134 1HB GLN 21 1HB GLN 21 42.393 122.421 64.878 135 2HB GLN 21 2HB GLN 21 44.031 122.114 65.455 136 1HG GLN 21 1HG GLN 21 43.736 123.738 67.260 137 2HG GLN 21 2HG GLN 21 42.128 124.146 66.658 138 1HE2 GLN 21 1HE2 GLN 21 43.866 121.993 68.712 139 2HE2 GLN 21 2HE2 GLN 21 42.591 120.922 69.039 140 H SER 22 H SER 22 45.574 125.334 63.237 141 HA SER 22 HA SER 22 47.316 125.861 65.527 142 1HB SER 22 1HB SER 22 49.082 124.372 64.917 143 2HB SER 22 2HB SER 22 47.607 123.411 64.869 144 HG SER 22 HG SER 22 49.345 123.942 62.903 145 H THR 23 H THR 23 48.910 127.429 65.014 146 HA THR 23 HA THR 23 48.850 128.491 62.205 147 HB THR 23 HB THR 23 49.363 129.896 64.850 148 HG1 THR 23 HG1 THR 23 47.272 129.739 64.942 149 1HG2 THR 23 1HG2 THR 23 50.467 131.028 63.015 150 2HG2 THR 23 2HG2 THR 23 49.024 131.945 63.443 151 3HG2 THR 23 3HG2 THR 23 49.019 130.908 62.017 152 HA PRO 24 HA PRO 24 53.083 126.903 62.989 153 1HB PRO 24 1HB PRO 24 53.762 126.604 60.358 154 2HB PRO 24 2HB PRO 24 52.873 125.371 61.276 155 1HG PRO 24 1HG PRO 24 51.852 127.400 59.355 156 2HG PRO 24 2HG PRO 24 51.378 125.707 59.568 157 1HD PRO 24 1HD PRO 24 49.927 127.784 60.536 158 2HD PRO 24 2HD PRO 24 49.962 126.182 61.302 159 H ASP 25 H ASP 25 51.881 129.496 60.943 160 HA ASP 25 HA ASP 25 54.415 130.710 60.323 161 1HB ASP 25 1HB ASP 25 51.560 131.720 60.481 162 2HB ASP 25 2HB ASP 25 52.888 132.713 59.881 163 H GLU 26 H GLU 26 52.438 130.747 63.205 164 HA GLU 26 HA GLU 26 54.034 133.023 64.318 165 1HB GLU 26 1HB GLU 26 51.460 132.930 64.237 166 2HB GLU 26 2HB GLU 26 51.584 131.699 65.493 167 1HG GLU 26 1HG GLU 26 52.846 133.273 66.918 168 2HG GLU 26 2HG GLU 26 52.721 134.506 65.664 169 H GLY 27 H GLY 27 54.826 130.038 64.056 170 1HA GLY 27 1HA GLY 27 56.116 128.566 65.349 171 2HA GLY 27 2HA GLY 27 56.170 129.815 66.594 172 H ARG 28 H ARG 28 53.141 128.594 65.335 173 HA ARG 28 HA ARG 28 52.650 127.228 67.964 174 1HB ARG 28 1HB ARG 28 50.883 128.892 66.149 175 2HB ARG 28 2HB ARG 28 50.245 127.932 67.484 176 1HG ARG 28 1HG ARG 28 51.698 129.153 69.062 177 2HG ARG 28 2HG ARG 28 52.335 130.116 67.728 178 1HD ARG 28 1HD ARG 28 50.071 131.000 67.272 179 2HD ARG 28 2HD ARG 28 49.428 130.039 68.618 180 HE ARG 28 HE ARG 28 51.163 132.413 68.872 181 1HH1 ARG 28 1HH2 ARG 28 48.629 131.623 70.457 182 2HH1 ARG 28 2HH2 ARG 28 49.325 131.278 72.005 183 1HH2 ARG 28 2HH1 ARG 28 52.572 131.094 70.801 184 2HH2 ARG 28 1HH1 ARG 28 51.557 130.979 72.200 185 H TYR 29 H TYR 29 53.172 125.107 67.198 186 HA TYR 29 HA TYR 29 51.569 124.077 64.887 187 1HB TYR 29 1HB TYR 29 53.996 122.956 66.336 188 2HB TYR 29 2HB TYR 29 53.264 122.285 64.881 189 HD1 TYR 29 HD1 TYR 29 55.147 125.157 66.263 190 HD2 TYR 29 HD2 TYR 29 53.626 123.278 62.714 191 HE1 TYR 29 HE1 TYR 29 56.530 126.672 64.869 192 HE2 TYR 29 HE2 TYR 29 55.007 124.795 61.319 193 HH TYR 29 HH TYR 29 56.368 127.578 62.426 194 H ALA 30 H ALA 30 49.942 122.641 65.326 195 HA ALA 30 HA ALA 30 49.743 121.627 68.136 196 1HB ALA 30 1HB ALA 30 47.458 121.879 66.182 197 2HB ALA 30 2HB ALA 30 48.054 123.287 67.062 198 3HB ALA 30 3HB ALA 30 47.402 121.906 67.944 199 H PHE 31 H PHE 31 50.085 119.450 68.322 200 HA PHE 31 HA PHE 31 49.447 117.691 65.973 201 1HB PHE 31 1HB PHE 31 51.515 117.527 68.185 202 2HB PHE 31 2HB PHE 31 51.192 116.200 67.072 203 HD1 PHE 31 HD1 PHE 31 52.501 119.638 67.384 204 HD2 PHE 31 HD2 PHE 31 51.859 116.312 64.744 205 HE1 PHE 31 HE1 PHE 31 54.009 120.673 65.712 206 HE2 PHE 31 HE2 PHE 31 53.364 117.349 63.068 207 HZ PHE 31 HZ PHE 31 54.440 119.531 63.552 208 H ALA 32 H ALA 32 47.955 116.032 66.362 209 HA ALA 32 HA ALA 32 47.024 115.650 69.188 210 1HB ALA 32 1HB ALA 32 45.099 114.595 67.571 211 2HB ALA 32 2HB ALA 32 45.764 115.829 66.501 212 3HB ALA 32 3HB ALA 32 45.111 116.285 68.076 213 H TYR 33 H TYR 33 47.367 113.585 70.029 214 HA TYR 33 HA TYR 33 48.080 111.448 68.051 215 1HB TYR 33 1HB TYR 33 49.878 110.762 69.501 216 2HB TYR 33 2HB TYR 33 50.014 112.499 69.265 217 HD1 TYR 33 HD1 TYR 33 49.780 109.855 71.652 218 HD2 TYR 33 HD2 TYR 33 48.958 114.031 71.094 219 HE1 TYR 33 HE1 TYR 33 49.742 110.173 74.108 220 HE2 TYR 33 HE2 TYR 33 48.907 114.343 73.551 221 HH TYR 33 HH TYR 33 48.563 111.966 75.711 222 H SER 34 H SER 34 47.270 109.392 68.452 223 HA SER 34 HA SER 34 45.262 109.177 70.660 224 1HB SER 34 1HB SER 34 44.333 107.395 69.198 225 2HB SER 34 2HB SER 34 44.491 108.917 68.325 226 HG SER 34 HG SER 34 45.554 107.675 66.978 227 H ILE 35 H ILE 35 45.477 107.533 72.172 228 HA ILE 35 HA ILE 35 48.044 105.971 72.149 229 HB ILE 35 HB ILE 35 46.056 106.754 74.295 230 1HG1 ILE 35 1HG1 ILE 35 47.358 108.645 73.386 231 2HG1 ILE 35 2HG1 ILE 35 47.870 108.271 75.028 232 1HG2 ILE 35 1HG2 ILE 35 46.993 104.926 75.318 233 2HG2 ILE 35 2HG2 ILE 35 48.299 106.067 75.638 234 3HG2 ILE 35 3HG2 ILE 35 48.420 104.948 74.281 235 1HD1 ILE 35 1HD1 ILE 35 49.391 108.119 72.527 236 2HD1 ILE 35 2HD1 ILE 35 49.514 106.651 73.494 237 3HD1 ILE 35 3HD1 ILE 35 49.972 108.204 74.188 238 H ARG 36 H ARG 36 47.992 103.845 71.890 239 HA ARG 36 HA ARG 36 45.408 102.354 72.252 240 1HB ARG 36 1HB ARG 36 47.682 102.068 70.263 241 2HB ARG 36 2HB ARG 36 46.403 100.866 70.441 242 1HG ARG 36 1HG ARG 36 44.714 102.639 69.979 243 2HG ARG 36 2HG ARG 36 46.029 103.783 69.705 244 1HD ARG 36 1HD ARG 36 45.747 101.184 68.158 245 2HD ARG 36 2HD ARG 36 45.125 102.743 67.579 246 HE ARG 36 HE ARG 36 47.916 102.863 68.446 247 1HH1 ARG 36 2HH1 ARG 36 46.935 104.633 66.321 248 2HH1 ARG 36 1HH1 ARG 36 47.539 103.893 64.877 249 1HH2 ARG 36 1HH2 ARG 36 48.180 100.841 66.392 250 2HH2 ARG 36 2HH2 ARG 36 48.244 101.745 64.917 251 H ILE 37 H ILE 37 45.858 101.658 74.366 252 HA ILE 37 HA ILE 37 48.436 100.342 75.029 253 HB ILE 37 HB ILE 37 45.902 100.853 76.621 254 1HG1 ILE 37 1HG1 ILE 37 48.508 102.405 76.664 255 2HG1 ILE 37 2HG1 ILE 37 47.117 102.899 75.700 256 1HG2 ILE 37 1HG2 ILE 37 48.712 100.338 77.620 257 2HG2 ILE 37 2HG2 ILE 37 47.522 99.051 77.425 258 3HG2 ILE 37 3HG2 ILE 37 47.220 100.366 78.560 259 1HD1 ILE 37 1HD1 ILE 37 46.707 104.087 77.650 260 2HD1 ILE 37 2HD1 ILE 37 47.439 102.854 78.677 261 3HD1 ILE 37 3HD1 ILE 37 45.831 102.597 77.998 262 H GLN 38 H GLN 38 48.663 98.210 74.542 263 HA GLN 38 HA GLN 38 46.254 96.417 74.725 264 1HB GLN 38 1HB GLN 38 47.200 96.747 72.436 265 2HB GLN 38 2HB GLN 38 48.769 96.195 73.025 266 1HG GLN 38 1HG GLN 38 47.657 94.321 71.960 267 2HG GLN 38 2HG GLN 38 47.686 94.033 73.701 268 1HE2 GLN 38 1HE2 GLN 38 45.710 93.243 74.418 269 2HE2 GLN 38 2HE2 GLN 38 44.193 93.695 73.803 270 H ASN 39 H ASN 39 46.403 94.726 76.088 271 HA ASN 39 HA ASN 39 48.812 94.543 77.780 272 1HB ASN 39 1HB ASN 39 46.491 94.658 78.696 273 2HB ASN 39 2HB ASN 39 46.139 93.107 77.933 274 1HD2 ASN 39 1HD2 ASN 39 46.071 93.563 80.819 275 2HD2 ASN 39 2HD2 ASN 39 47.276 92.588 81.510 276 H ALA 40 H ALA 40 50.410 93.103 77.196 277 HA ALA 40 HA ALA 40 49.623 90.600 75.730 278 1HB ALA 40 1HB ALA 40 51.020 92.208 74.469 279 2HB ALA 40 2HB ALA 40 51.923 90.734 74.814 280 3HB ALA 40 3HB ALA 40 52.212 92.190 75.767 281 H GLY 41 H GLY 41 50.230 91.495 78.796 282 1HA GLY 41 1HA GLY 41 52.298 89.532 79.483 283 2HA GLY 41 2HA GLY 41 51.376 90.512 80.625 284 H ALA 42 H ALA 42 51.484 88.110 81.569 285 HA ALA 42 HA ALA 42 49.261 86.471 80.480 286 1HB ALA 42 1HB ALA 42 50.284 84.685 81.684 287 2HB ALA 42 2HB ALA 42 51.152 85.802 82.738 288 3HB ALA 42 3HB ALA 42 51.628 85.634 81.047 289 H VAL 43 H VAL 43 50.249 88.312 83.286 290 HA VAL 43 HA VAL 43 47.706 87.638 84.713 291 HB VAL 43 HB VAL 43 50.338 88.902 85.583 292 1HG1 VAL 43 1HG1 VAL 43 49.529 88.865 87.831 293 2HG1 VAL 43 2HG1 VAL 43 48.100 87.939 87.374 294 3HG1 VAL 43 3HG1 VAL 43 48.256 89.622 86.874 295 1HG2 VAL 43 1HG2 VAL 43 49.135 86.160 86.068 296 2HG2 VAL 43 2HG2 VAL 43 50.620 86.753 86.812 297 3HG2 VAL 43 3HG2 VAL 43 50.540 86.520 85.065 298 HA PRO 44 HA PRO 44 45.945 91.500 83.553 299 1HB PRO 44 1HB PRO 44 44.610 92.180 85.854 300 2HB PRO 44 2HB PRO 44 44.009 90.987 84.683 301 1HG PRO 44 1HG PRO 44 45.524 90.536 87.220 302 2HG PRO 44 2HG PRO 44 44.074 89.710 86.616 303 1HD PRO 44 1HD PRO 44 46.455 88.577 86.363 304 2HD PRO 44 2HD PRO 44 45.269 88.476 85.046 305 H ALA 45 H ALA 45 46.574 93.631 83.667 306 HA ALA 45 HA ALA 45 48.236 94.554 85.989 307 1HB ALA 45 1HB ALA 45 48.914 94.781 83.043 308 2HB ALA 45 2HB ALA 45 49.644 93.626 84.158 309 3HB ALA 45 3HB ALA 45 49.903 95.355 84.386 310 H ARG 46 H ARG 46 48.213 96.811 86.283 311 HA ARG 46 HA ARG 46 46.285 98.362 84.584 312 1HB ARG 46 1HB ARG 46 45.561 99.433 86.706 313 2HB ARG 46 2HB ARG 46 45.326 97.686 86.761 314 1HG ARG 46 1HG ARG 46 47.399 97.409 88.027 315 2HG ARG 46 2HG ARG 46 47.730 99.137 87.908 316 1HD ARG 46 1HD ARG 46 45.305 97.922 89.287 317 2HD ARG 46 2HD ARG 46 46.727 98.590 90.110 318 HE ARG 46 HE ARG 46 46.036 100.663 88.490 319 1HH1 ARG 46 2HH1 ARG 46 45.285 100.274 91.503 320 2HH1 ARG 46 1HH1 ARG 46 43.615 100.732 91.449 321 1HH2 ARG 46 1HH2 ARG 46 43.401 100.541 87.992 322 2HH2 ARG 46 2HH2 ARG 46 42.549 100.883 89.461 323 H LEU 47 H LEU 47 46.749 100.711 84.547 324 HA LEU 47 HA LEU 47 49.669 101.258 84.773 325 1HB LEU 47 1HB LEU 47 48.276 101.630 82.673 326 2HB LEU 47 2HB LEU 47 47.451 102.922 83.545 327 HG LEU 47 HG LEU 47 50.458 102.869 83.371 328 1HD1 LEU 47 1HD1 LEU 47 48.459 103.691 81.284 329 2HD1 LEU 47 2HD1 LEU 47 50.009 102.874 81.080 330 3HD1 LEU 47 3HD1 LEU 47 49.962 104.599 81.448 331 1HD2 LEU 47 1HD2 LEU 47 49.798 105.441 83.374 332 2HD2 LEU 47 2HD2 LEU 47 49.820 104.520 84.877 333 3HD2 LEU 47 3HD2 LEU 47 48.291 104.826 84.054 334 H VAL 48 H VAL 48 50.301 102.213 86.671 335 HA VAL 48 HA VAL 48 48.324 103.833 88.198 336 HB VAL 48 HB VAL 48 51.036 102.664 88.915 337 1HG1 VAL 48 1HG1 VAL 48 50.470 103.227 91.217 338 2HG1 VAL 48 2HG1 VAL 48 48.906 103.863 90.712 339 3HG1 VAL 48 3HG1 VAL 48 50.388 104.691 90.237 340 1HG2 VAL 48 1HG2 VAL 48 48.316 101.774 89.888 341 2HG2 VAL 48 2HG2 VAL 48 49.849 100.910 89.992 342 3HG2 VAL 48 3HG2 VAL 48 49.046 101.095 88.433 343 H ALA 49 H ALA 49 51.393 104.099 86.469 344 HA ALA 49 HA ALA 49 51.260 107.042 86.942 345 1HB ALA 49 1HB ALA 49 52.996 105.329 88.234 346 2HB ALA 49 2HB ALA 49 53.249 107.063 88.035 347 3HB ALA 49 3HB ALA 49 53.981 105.931 86.900 348 H ARG 50 H ARG 50 52.585 108.279 85.400 349 HA ARG 50 HA ARG 50 53.313 106.909 82.829 350 1HB ARG 50 1HB ARG 50 51.922 108.508 81.618 351 2HB ARG 50 2HB ARG 50 50.927 107.635 82.780 352 1HG ARG 50 1HG ARG 50 51.358 109.592 84.384 353 2HG ARG 50 2HG ARG 50 51.977 110.464 82.982 354 1HD ARG 50 1HD ARG 50 49.659 109.586 81.923 355 2HD ARG 50 2HD ARG 50 49.175 109.675 83.629 356 HE ARG 50 HE ARG 50 49.924 112.044 83.625 357 1HH1 ARG 50 1HH2 ARG 50 47.979 111.194 81.221 358 2HH1 ARG 50 2HH2 ARG 50 48.570 112.292 80.020 359 1HH2 ARG 50 2HH1 ARG 50 51.415 113.137 81.812 360 2HH2 ARG 50 1HH1 ARG 50 50.515 113.392 80.354 361 H HIS 51 H HIS 51 55.047 107.824 81.855 362 HA HIS 51 HA HIS 51 55.988 110.526 82.718 363 1HB HIS 51 1HB HIS 51 57.045 108.801 84.153 364 2HB HIS 51 2HB HIS 51 57.598 107.949 82.713 365 HD1 HIS 51 HD1 HIS 51 60.088 108.363 83.539 366 HD2 HIS 51 HD2 HIS 51 57.959 111.821 82.595 367 HE1 HIS 51 HE1 HIS 51 61.795 110.224 83.342 368 H TRP 52 H TRP 52 56.074 111.621 80.827 369 HA TRP 52 HA TRP 52 56.836 110.199 78.312 370 1HB TRP 52 1HB TRP 52 55.489 112.812 79.034 371 2HB TRP 52 2HB TRP 52 55.966 112.430 77.381 372 HD1 TRP 52 HD1 TRP 52 53.235 111.930 79.821 373 HE1 TRP 52 HE1 TRP 52 51.497 110.265 78.901 374 HE3 TRP 52 HE3 TRP 52 55.831 110.054 75.843 375 HZ2 TRP 52 HZ2 TRP 52 51.240 108.388 76.763 376 HZ3 TRP 52 HZ3 TRP 52 54.815 108.328 74.382 377 HH2 TRP 52 HH2 TRP 52 52.525 107.494 74.837 378 H GLN 53 H GLN 53 58.794 110.625 77.360 379 HA GLN 53 HA GLN 53 60.455 112.883 78.443 380 1HB GLN 53 1HB GLN 53 61.213 110.546 78.893 381 2HB GLN 53 2HB GLN 53 61.268 110.255 77.154 382 1HG GLN 53 1HG GLN 53 62.980 111.933 76.855 383 2HG GLN 53 2HG GLN 53 62.825 112.459 78.531 384 1HE2 GLN 53 1HE2 GLN 53 65.323 111.511 77.429 385 2HE2 GLN 53 2HE2 GLN 53 65.725 110.063 78.219 386 H ILE 54 H ILE 54 59.250 114.212 76.733 387 HA ILE 54 HA ILE 54 59.783 113.576 73.914 388 HB ILE 54 HB ILE 54 58.371 115.479 73.493 389 1HG1 ILE 54 1HG1 ILE 54 58.494 116.131 76.453 390 2HG1 ILE 54 2HG1 ILE 54 59.396 116.998 75.214 391 1HG2 ILE 54 1HG2 ILE 54 57.381 113.989 75.939 392 2HG2 ILE 54 2HG2 ILE 54 57.247 113.433 74.271 393 3HG2 ILE 54 3HG2 ILE 54 56.372 114.872 74.793 394 1HD1 ILE 54 1HD1 ILE 54 56.383 116.712 75.284 395 2HD1 ILE 54 2HD1 ILE 54 57.311 117.604 74.077 396 3HD1 ILE 54 3HD1 ILE 54 57.283 118.156 75.752 397 H THR 55 H THR 55 61.454 114.281 72.738 398 HA THR 55 HA THR 55 63.077 116.606 73.726 399 HB THR 55 HB THR 55 63.969 114.086 72.262 400 HG1 THR 55 HG1 THR 55 63.682 113.496 74.319 401 1HG2 THR 55 1HG2 THR 55 66.210 114.924 72.475 402 2HG2 THR 55 2HG2 THR 55 65.671 116.268 73.483 403 3HG2 THR 55 3HG2 THR 55 65.241 116.219 71.773 404 H ASP 56 H ASP 56 63.255 118.240 72.330 405 HA ASP 56 HA ASP 56 61.885 117.999 69.747 406 1HB ASP 56 1HB ASP 56 61.655 119.872 71.469 407 2HB ASP 56 2HB ASP 56 63.258 120.407 70.965 408 H GLY 57 H GLY 57 62.935 119.156 67.844 409 1HA GLY 57 1HA GLY 57 65.310 117.840 67.045 410 2HA GLY 57 2HA GLY 57 64.606 119.223 66.220 411 H ASN 58 H ASN 58 65.136 120.484 69.217 412 HA ASN 58 HA ASN 58 67.832 121.466 68.405 413 1HB ASN 58 1HB ASN 58 65.643 122.873 68.969 414 2HB ASN 58 2HB ASN 58 66.190 122.635 70.629 415 1HD2 ASN 58 1HD2 ASN 58 67.509 123.682 67.434 416 2HD2 ASN 58 2HD2 ASN 58 68.563 124.843 68.088 417 H GLY 59 H GLY 59 66.731 119.004 70.231 418 1HA GLY 59 1HA GLY 59 68.118 117.682 71.673 419 2HA GLY 59 2HA GLY 59 69.101 119.108 71.995 420 H ARG 60 H ARG 60 66.637 120.749 72.584 421 HA ARG 60 HA ARG 60 66.545 120.344 75.425 422 1HB ARG 60 1HB ARG 60 65.386 122.075 73.368 423 2HB ARG 60 2HB ARG 60 64.241 121.752 74.667 424 1HG ARG 60 1HG ARG 60 65.299 123.369 75.837 425 2HG ARG 60 2HG ARG 60 66.634 122.234 76.018 426 1HD ARG 60 1HD ARG 60 67.433 124.393 75.090 427 2HD ARG 60 2HD ARG 60 67.626 123.096 73.894 428 HE ARG 60 HE ARG 60 65.877 124.068 72.613 429 1HH1 ARG 60 1HH2 ARG 60 63.757 124.345 74.603 430 2HH1 ARG 60 2HH2 ARG 60 63.625 126.059 74.819 431 1HH2 ARG 60 2HH1 ARG 60 66.712 126.744 73.394 432 2HH2 ARG 60 1HH1 ARG 60 65.298 127.417 74.134 433 H THR 61 H THR 61 65.042 119.226 76.710 434 HA THR 61 HA THR 61 62.855 117.793 75.275 435 HB THR 61 HB THR 61 64.783 116.299 75.553 436 HG1 THR 61 HG1 THR 61 62.798 115.710 77.487 437 1HG2 THR 61 1HG2 THR 61 64.554 117.086 78.468 438 2HG2 THR 61 2HG2 THR 61 65.926 117.359 77.394 439 3HG2 THR 61 3HG2 THR 61 65.512 115.720 77.898 440 H GLU 62 H GLU 62 61.012 117.268 76.629 441 HA GLU 62 HA GLU 62 60.942 118.753 79.238 442 1HB GLU 62 1HB GLU 62 59.668 119.799 77.386 443 2HB GLU 62 2HB GLU 62 58.773 118.296 77.161 444 1HG GLU 62 1HG GLU 62 57.901 118.466 79.465 445 2HG GLU 62 2HG GLU 62 58.793 119.969 79.692 446 H GLN 63 H GLN 63 60.620 117.406 80.939 447 HA GLN 63 HA GLN 63 59.532 114.657 80.481 448 1HB GLN 63 1HB GLN 63 61.117 116.024 82.667 449 2HB GLN 63 2HB GLN 63 60.528 114.366 82.794 450 1HG GLN 63 1HG GLN 63 61.762 113.766 80.743 451 2HG GLN 63 2HG GLN 63 62.353 115.423 80.613 452 1HE2 GLN 63 1HE2 GLN 63 63.760 112.713 81.220 453 2HE2 GLN 63 2HE2 GLN 63 64.682 113.051 82.604 454 H VAL 64 H VAL 64 57.568 114.084 81.335 455 HA VAL 64 HA VAL 64 56.269 115.935 83.310 456 HB VAL 64 HB VAL 64 55.048 114.475 80.938 457 1HG1 VAL 64 1HG1 VAL 64 53.440 114.645 82.755 458 2HG1 VAL 64 2HG1 VAL 64 53.024 115.838 81.524 459 3HG1 VAL 64 3HG1 VAL 64 53.843 116.344 83.001 460 1HG2 VAL 64 1HG2 VAL 64 54.686 116.797 80.080 461 2HG2 VAL 64 2HG2 VAL 64 56.395 116.390 80.234 462 3HG2 VAL 64 3HG2 VAL 64 55.618 117.414 81.443 463 H ASP 65 H ASP 65 55.487 114.931 85.088 464 HA ASP 65 HA ASP 65 55.264 111.931 85.079 465 1HB ASP 65 1HB ASP 65 57.252 112.966 86.251 466 2HB ASP 65 2HB ASP 65 56.115 113.757 87.345 467 H GLY 66 H GLY 66 53.244 111.221 85.641 468 1HA GLY 66 1HA GLY 66 51.631 112.697 87.609 469 2HA GLY 66 2HA GLY 66 50.937 112.607 85.989 470 H GLU 67 H GLU 67 49.509 111.401 87.989 471 HA GLU 67 HA GLU 67 50.113 108.476 87.698 472 1HB GLU 67 1HB GLU 67 48.697 110.118 89.817 473 2HB GLU 67 2HB GLU 67 48.710 108.354 89.810 474 1HG GLU 67 1HG GLU 67 51.177 108.367 89.876 475 2HG GLU 67 2HG GLU 67 51.168 110.129 89.887 476 H GLY 68 H GLY 68 48.172 107.071 87.461 477 1HA GLY 68 1HA GLY 68 46.233 106.492 86.284 478 2HA GLY 68 2HA GLY 68 45.524 107.850 87.151 479 H VAL 69 H VAL 69 46.777 106.756 84.078 480 HA VAL 69 HA VAL 69 47.161 109.060 82.544 481 HB VAL 69 HB VAL 69 46.254 107.674 80.680 482 1HG1 VAL 69 1HG1 VAL 69 47.710 105.548 81.460 483 2HG1 VAL 69 2HG1 VAL 69 48.226 106.711 82.682 484 3HG1 VAL 69 3HG1 VAL 69 48.441 107.077 80.969 485 1HG2 VAL 69 1HG2 VAL 69 44.375 106.578 81.656 486 2HG2 VAL 69 2HG2 VAL 69 45.338 105.939 82.986 487 3HG2 VAL 69 3HG2 VAL 69 45.553 105.304 81.357 488 H VAL 70 H VAL 70 45.986 110.709 81.874 489 HA VAL 70 HA VAL 70 44.239 112.265 81.895 490 HB VAL 70 HB VAL 70 42.451 111.573 80.392 491 1HG1 VAL 70 1HG1 VAL 70 43.807 111.304 78.599 492 2HG1 VAL 70 2HG1 VAL 70 44.559 109.850 79.257 493 3HG1 VAL 70 3HG1 VAL 70 45.111 111.442 79.778 494 1HG2 VAL 70 1HG2 VAL 70 41.978 109.413 81.605 495 2HG2 VAL 70 2HG2 VAL 70 43.366 108.710 80.774 496 3HG2 VAL 70 3HG2 VAL 70 41.978 109.278 79.848 497 H GLY 71 H GLY 71 44.473 110.865 84.394 498 1HA GLY 71 1HA GLY 71 43.277 111.098 86.416 499 2HA GLY 71 2HA GLY 71 41.847 111.530 85.491 500 H GLU 72 H GLU 72 43.501 108.537 84.671 501 HA GLU 72 HA GLU 72 41.567 107.008 86.352 502 1HB GLU 72 1HB GLU 72 40.787 105.749 84.386 503 2HB GLU 72 2HB GLU 72 40.469 107.472 84.202 504 1HG GLU 72 1HG GLU 72 41.972 107.702 82.495 505 2HG GLU 72 2HG GLU 72 43.077 106.505 83.157 506 H GLN 73 H GLN 73 42.109 104.858 86.731 507 HA GLN 73 HA GLN 73 44.900 103.999 86.000 508 1HB GLN 73 1HB GLN 73 43.159 103.646 88.461 509 2HB GLN 73 2HB GLN 73 44.665 102.763 88.212 510 1HG GLN 73 1HG GLN 73 45.943 104.806 88.156 511 2HG GLN 73 2HG GLN 73 44.475 105.784 88.141 512 1HE2 GLN 73 1HE2 GLN 73 46.337 103.508 90.195 513 2HE2 GLN 73 2HE2 GLN 73 45.715 104.084 91.666 514 HA PRO 74 HA PRO 74 41.534 101.276 84.139 515 1HB PRO 74 1HB PRO 74 42.998 100.564 81.945 516 2HB PRO 74 2HB PRO 74 41.969 102.010 82.006 517 1HG PRO 74 1HG PRO 74 44.917 101.770 82.349 518 2HG PRO 74 2HG PRO 74 43.977 102.996 81.483 519 1HD PRO 74 1HD PRO 74 45.014 103.419 83.945 520 2HD PRO 74 2HD PRO 74 43.508 104.180 83.389 521 H TRP 75 H TRP 75 41.452 99.075 84.400 522 HA TRP 75 HA TRP 75 43.913 97.681 85.373 523 1HB TRP 75 1HB TRP 75 41.650 97.926 86.653 524 2HB TRP 75 2HB TRP 75 41.057 96.710 85.522 525 HD1 TRP 75 HD1 TRP 75 43.903 97.203 88.079 526 HE1 TRP 75 HE1 TRP 75 44.535 94.896 89.040 527 HE3 TRP 75 HE3 TRP 75 40.872 94.216 85.257 528 HZ2 TRP 75 HZ2 TRP 75 43.843 92.146 88.662 529 HZ3 TRP 75 HZ3 TRP 75 40.879 91.759 85.579 530 HH2 TRP 75 HH2 TRP 75 42.359 90.721 87.276 531 H LEU 76 H LEU 76 44.519 97.583 82.982 532 HA LEU 76 HA LEU 76 43.000 96.219 81.012 533 1HB LEU 76 1HB LEU 76 45.877 96.859 81.513 534 2HB LEU 76 2HB LEU 76 45.483 95.763 80.188 535 HG LEU 76 HG LEU 76 44.251 98.507 80.569 536 1HD1 LEU 76 1HD1 LEU 76 46.655 97.520 79.093 537 2HD1 LEU 76 2HD1 LEU 76 46.397 99.061 79.911 538 3HD1 LEU 76 3HD1 LEU 76 45.670 98.767 78.331 539 1HD2 LEU 76 1HD2 LEU 76 43.912 97.802 77.951 540 2HD2 LEU 76 2HD2 LEU 76 42.701 97.523 79.202 541 3HD2 LEU 76 3HD2 LEU 76 43.796 96.224 78.729 542 H ARG 77 H ARG 77 42.323 94.146 81.009 543 HA ARG 77 HA ARG 77 43.651 92.085 82.658 544 1HB ARG 77 1HB ARG 77 41.089 92.569 81.298 545 2HB ARG 77 2HB ARG 77 41.662 90.914 81.091 546 1HG ARG 77 1HG ARG 77 42.162 91.241 83.732 547 2HG ARG 77 2HG ARG 77 40.773 92.314 83.555 548 1HD ARG 77 1HD ARG 77 40.510 89.680 82.209 549 2HD ARG 77 2HD ARG 77 40.514 89.643 83.984 550 HE ARG 77 HE ARG 77 38.789 91.616 83.690 551 1HH1 ARG 77 1HH2 ARG 77 38.402 88.431 83.053 552 2HH1 ARG 77 2HH2 ARG 77 37.108 88.592 81.913 553 1HH2 ARG 77 2HH1 ARG 77 37.452 92.029 81.607 554 2HH2 ARG 77 1HH1 ARG 77 36.571 90.629 81.094 555 HA PRO 78 HA PRO 78 46.222 90.446 79.501 556 1HB PRO 78 1HB PRO 78 45.645 87.769 79.409 557 2HB PRO 78 2HB PRO 78 46.630 88.502 80.692 558 1HG PRO 78 1HG PRO 78 43.755 87.731 80.724 559 2HG PRO 78 2HG PRO 78 44.985 87.553 81.986 560 1HD PRO 78 1HD PRO 78 43.124 89.524 82.012 561 2HD PRO 78 2HD PRO 78 44.745 89.715 82.713 562 H GLY 79 H GLY 79 45.957 90.681 77.369 563 1HA GLY 79 1HA GLY 79 45.076 90.194 75.196 564 2HA GLY 79 2HA GLY 79 43.711 89.383 75.959 565 H GLU 80 H GLU 80 43.563 92.001 77.734 566 HA GLU 80 HA GLU 80 41.636 93.354 75.949 567 1HB GLU 80 1HB GLU 80 41.577 92.728 78.551 568 2HB GLU 80 2HB GLU 80 42.351 94.308 78.696 569 1HG GLU 80 1HG GLU 80 39.950 94.620 78.855 570 2HG GLU 80 2HG GLU 80 40.494 95.276 77.311 571 H ALA 81 H ALA 81 41.693 95.766 75.788 572 HA ALA 81 HA ALA 81 44.400 96.975 76.052 573 1HB ALA 81 1HB ALA 81 42.943 97.424 73.496 574 2HB ALA 81 2HB ALA 81 43.616 95.812 73.733 575 3HB ALA 81 3HB ALA 81 44.672 97.224 73.780 576 H PHE 82 H PHE 82 44.316 99.287 76.190 577 HA PHE 82 HA PHE 82 41.561 100.456 76.451 578 1HB PHE 82 1HB PHE 82 42.769 100.163 78.587 579 2HB PHE 82 2HB PHE 82 44.136 101.073 77.944 580 HD1 PHE 82 HD1 PHE 82 44.003 103.494 77.612 581 HD2 PHE 82 HD2 PHE 82 40.663 101.273 79.151 582 HE1 PHE 82 HE1 PHE 82 42.912 105.611 78.305 583 HE2 PHE 82 HE2 PHE 82 39.573 103.390 79.843 584 HZ PHE 82 HZ PHE 82 40.697 105.560 79.419 585 H HIS 83 H HIS 83 41.278 102.529 75.432 586 HA HIS 83 HA HIS 83 43.670 103.759 74.140 587 1HB HIS 83 1HB HIS 83 42.431 103.806 71.985 588 2HB HIS 83 2HB HIS 83 42.705 102.159 72.548 589 HD1 HIS 83 HD1 HIS 83 40.617 100.940 73.680 590 HD2 HIS 83 HD2 HIS 83 39.734 104.525 71.745 591 HE1 HIS 83 HE1 HIS 83 38.101 100.995 73.385 592 H TYR 84 H TYR 84 43.533 105.991 73.977 593 HA TYR 84 HA TYR 84 40.928 107.350 74.295 594 1HB TYR 84 1HB TYR 84 41.639 108.562 76.289 595 2HB TYR 84 2HB TYR 84 41.788 106.834 76.591 596 HD1 TYR 84 HD1 TYR 84 43.587 109.992 76.125 597 HD2 TYR 84 HD2 TYR 84 44.011 105.752 76.654 598 HE1 TYR 84 HE1 TYR 84 45.983 110.301 76.688 599 HE2 TYR 84 HE2 TYR 84 46.406 106.059 77.215 600 HH TYR 84 HH TYR 84 47.764 108.377 78.257 601 H THR 85 H THR 85 41.138 109.702 73.814 602 HA THR 85 HA THR 85 43.390 110.198 71.922 603 HB THR 85 HB THR 85 40.755 111.637 72.369 604 HG1 THR 85 HG1 THR 85 39.932 110.282 70.959 605 1HG2 THR 85 1HG2 THR 85 41.188 112.643 70.190 606 2HG2 THR 85 2HG2 THR 85 42.690 111.732 70.040 607 3HG2 THR 85 3HG2 THR 85 42.538 112.985 71.272 608 H SER 86 H SER 86 44.886 111.800 72.300 609 HA SER 86 HA SER 86 44.447 113.592 74.668 610 1HB SER 86 1HB SER 86 46.035 111.906 75.226 611 2HB SER 86 2HB SER 86 46.871 112.087 73.684 612 HG SER 86 HG SER 86 46.682 113.985 75.792 613 H GLY 87 H GLY 87 45.901 115.655 74.460 614 1HA GLY 87 1HA GLY 87 46.478 116.338 71.614 615 2HA GLY 87 2HA GLY 87 45.500 117.432 72.590 616 H VAL 88 H VAL 88 48.450 117.248 71.389 617 HA VAL 88 HA VAL 88 49.719 118.633 73.731 618 HB VAL 88 HB VAL 88 50.835 116.478 71.901 619 1HG1 VAL 88 1HG1 VAL 88 52.896 116.884 73.522 620 2HG1 VAL 88 2HG1 VAL 88 52.227 118.513 73.611 621 3HG1 VAL 88 3HG1 VAL 88 52.714 117.845 72.054 622 1HG2 VAL 88 1HG2 VAL 88 51.073 116.466 74.876 623 2HG2 VAL 88 2HG2 VAL 88 50.845 115.118 73.763 624 3HG2 VAL 88 3HG2 VAL 88 49.481 116.149 74.191 625 H LEU 89 H LEU 89 51.092 120.372 73.129 626 HA LEU 89 HA LEU 89 50.801 121.261 70.287 627 1HB LEU 89 1HB LEU 89 49.778 122.633 72.085 628 2HB LEU 89 2HB LEU 89 51.363 122.805 72.839 629 HG LEU 89 HG LEU 89 52.128 123.735 70.545 630 1HD1 LEU 89 1HD1 LEU 89 49.764 122.952 69.629 631 2HD1 LEU 89 2HD1 LEU 89 50.528 124.414 69.007 632 3HD1 LEU 89 3HD1 LEU 89 49.258 124.533 70.225 633 1HD2 LEU 89 1HD2 LEU 89 51.839 125.085 72.616 634 2HD2 LEU 89 2HD2 LEU 89 50.138 125.314 72.208 635 3HD2 LEU 89 3HD2 LEU 89 51.394 125.992 71.171 636 H LEU 90 H LEU 90 52.652 121.876 69.136 637 HA LEU 90 HA LEU 90 55.292 121.415 70.492 638 1HB LEU 90 1HB LEU 90 54.365 119.770 68.724 639 2HB LEU 90 2HB LEU 90 54.686 121.049 67.553 640 HG LEU 90 HG LEU 90 57.061 121.121 68.566 641 1HD1 LEU 90 1HD1 LEU 90 55.957 118.552 69.706 642 2HD1 LEU 90 2HD1 LEU 90 56.803 119.847 70.552 643 3HD1 LEU 90 3HD1 LEU 90 57.687 118.787 69.454 644 1HD2 LEU 90 1HD2 LEU 90 56.686 118.468 67.278 645 2HD2 LEU 90 2HD2 LEU 90 57.745 119.800 66.820 646 3HD2 LEU 90 3HD2 LEU 90 56.034 119.849 66.399 647 H GLU 91 H GLU 91 56.927 122.997 70.056 648 HA GLU 91 HA GLU 91 56.007 125.602 69.150 649 1HB GLU 91 1HB GLU 91 58.298 126.257 69.744 650 2HB GLU 91 2HB GLU 91 57.637 125.195 70.985 651 1HG GLU 91 1HG GLU 91 58.769 123.313 69.460 652 2HG GLU 91 2HG GLU 91 59.797 124.665 68.985 653 H THR 92 H THR 92 57.695 122.915 67.642 654 HA THR 92 HA THR 92 58.023 124.586 65.170 655 HB THR 92 HB THR 92 59.720 122.214 65.975 656 HG1 THR 92 HG1 THR 92 60.184 124.963 66.486 657 1HG2 THR 92 1HG2 THR 92 60.168 122.672 63.743 658 2HG2 THR 92 2HG2 THR 92 61.345 123.718 64.538 659 3HG2 THR 92 3HG2 THR 92 59.835 124.395 63.924 660 H GLU 93 H GLU 93 58.156 123.099 63.162 661 HA GLU 93 HA GLU 93 55.789 121.353 63.164 662 1HB GLU 93 1HB GLU 93 56.548 123.127 61.448 663 2HB GLU 93 2HB GLU 93 57.692 121.906 60.892 664 1HG GLU 93 1HG GLU 93 55.831 120.328 60.516 665 2HG GLU 93 2HG GLU 93 54.685 121.547 61.070 666 H GLN 94 H GLN 94 58.792 120.638 64.211 667 HA GLN 94 HA GLN 94 58.642 117.867 63.134 668 1HB GLN 94 1HB GLN 94 60.214 119.229 61.775 669 2HB GLN 94 2HB GLN 94 61.120 119.618 63.238 670 1HG GLN 94 1HG GLN 94 62.229 117.774 62.108 671 2HG GLN 94 2HG GLN 94 61.497 117.166 63.594 672 1HE2 GLN 94 1HE2 GLN 94 60.537 115.170 63.216 673 2HE2 GLN 94 2HE2 GLN 94 59.695 114.741 61.807 674 H GLY 95 H GLY 95 59.307 116.302 64.758 675 1HA GLY 95 1HA GLY 95 60.972 116.986 66.985 676 2HA GLY 95 2HA GLY 95 59.291 117.122 67.480 677 H GLN 96 H GLN 96 61.296 115.300 68.453 678 HA GLN 96 HA GLN 96 60.126 112.627 67.681 679 1HB GLN 96 1HB GLN 96 62.524 113.002 67.124 680 2HB GLN 96 2HB GLN 96 62.840 113.380 68.818 681 1HG GLN 96 1HG GLN 96 62.073 111.126 69.469 682 2HG GLN 96 2HG GLN 96 61.759 110.745 67.776 683 1HE2 GLN 96 1HE2 GLN 96 63.409 109.350 67.117 684 2HE2 GLN 96 2HE2 GLN 96 65.062 109.596 67.418 685 H MET 97 H MET 97 59.014 111.635 69.340 686 HA MET 97 HA MET 97 59.515 112.609 72.137 687 1HB MET 97 1HB MET 97 56.938 111.869 70.728 688 2HB MET 97 2HB MET 97 57.055 112.330 72.426 689 1HG MET 97 1HG MET 97 57.828 114.536 71.852 690 2HG MET 97 2HG MET 97 58.023 114.089 70.158 691 1HE MET 97 1HE MET 97 55.545 113.525 72.949 692 2HE MET 97 2HE MET 97 54.069 114.358 72.468 693 3HE MET 97 3HE MET 97 55.486 115.293 72.942 694 H GLN 98 H GLN 98 60.164 110.949 73.487 695 HA GLN 98 HA GLN 98 59.211 108.154 72.930 696 1HB GLN 98 1HB GLN 98 61.888 109.333 73.701 697 2HB GLN 98 2HB GLN 98 61.504 107.648 74.054 698 1HG GLN 98 1HG GLN 98 61.034 107.245 71.675 699 2HG GLN 98 2HG GLN 98 61.402 108.931 71.310 700 1HE2 GLN 98 1HE2 GLN 98 63.328 108.601 70.075 701 2HE2 GLN 98 2HE2 GLN 98 64.732 107.898 70.721 702 H GLY 99 H GLY 99 58.740 106.946 74.935 703 1HA GLY 99 1HA GLY 99 59.158 108.272 77.513 704 2HA GLY 99 2HA GLY 99 57.476 108.317 76.996 705 H HIS 100 H HIS 100 57.676 107.053 79.238 706 HA HIS 100 HA HIS 100 57.568 104.159 78.521 707 1HB HIS 100 1HB HIS 100 58.989 105.570 80.785 708 2HB HIS 100 2HB HIS 100 58.539 103.872 80.926 709 HD1 HIS 100 HD1 HIS 100 60.448 106.123 78.502 710 HD2 HIS 100 HD2 HIS 100 60.406 102.167 79.818 711 HE1 HIS 100 HE1 HIS 100 62.415 104.978 77.390 712 H TYR 101 H TYR 101 56.158 102.918 79.979 713 HA TYR 101 HA TYR 101 54.057 104.618 81.272 714 1HB TYR 101 1HB TYR 101 54.030 102.063 79.672 715 2HB TYR 101 2HB TYR 101 52.692 102.431 80.754 716 HD1 TYR 101 HD1 TYR 101 52.455 105.388 80.467 717 HD2 TYR 101 HD2 TYR 101 53.184 102.348 77.514 718 HE1 TYR 101 HE1 TYR 101 51.474 106.846 78.721 719 HE2 TYR 101 HE2 TYR 101 52.200 103.810 75.773 720 HH TYR 101 HH TYR 101 50.290 106.337 76.358 721 H ASP 102 H ASP 102 53.827 104.272 83.514 722 HA ASP 102 HA ASP 102 55.308 102.024 84.769 723 1HB ASP 102 1HB ASP 102 55.274 104.448 85.605 724 2HB ASP 102 2HB ASP 102 53.577 104.192 86.008 725 H MET 103 H MET 103 54.367 100.144 84.954 726 HA MET 103 HA MET 103 51.382 99.986 85.304 727 1HB MET 103 1HB MET 103 52.676 99.278 83.106 728 2HB MET 103 2HB MET 103 53.055 97.839 84.051 729 1HG MET 103 1HG MET 103 51.047 97.255 82.979 730 2HG MET 103 2HG MET 103 50.511 97.783 84.575 731 1HE MET 103 1HE MET 103 51.434 98.641 81.154 732 2HE MET 103 2HE MET 103 51.634 100.360 81.487 733 3HE MET 103 3HE MET 103 50.253 99.808 80.542 734 H VAL 104 H VAL 104 50.684 98.080 86.549 735 HA VAL 104 HA VAL 104 52.798 96.807 88.237 736 HB VAL 104 HB VAL 104 51.224 97.232 90.206 737 1HG1 VAL 104 1HG1 VAL 104 52.176 99.385 90.640 738 2HG1 VAL 104 2HG1 VAL 104 52.342 99.729 88.919 739 3HG1 VAL 104 3HG1 VAL 104 53.352 98.496 89.672 740 1HG2 VAL 104 1HG2 VAL 104 50.106 99.408 88.421 741 2HG2 VAL 104 2HG2 VAL 104 49.563 98.941 90.033 742 3HG2 VAL 104 3HG2 VAL 104 49.282 97.869 88.664 743 H ALA 105 H ALA 105 52.413 94.629 88.440 744 HA ALA 105 HA ALA 105 50.089 93.368 87.198 745 1HB ALA 105 1HB ALA 105 52.363 92.396 88.958 746 2HB ALA 105 2HB ALA 105 52.280 92.313 87.198 747 3HB ALA 105 3HB ALA 105 51.200 91.323 88.180 748 H ASP 106 H ASP 106 48.694 91.813 88.471 749 HA ASP 106 HA ASP 106 47.349 93.152 90.627 750 1HB ASP 106 1HB ASP 106 46.455 91.422 89.002 751 2HB ASP 106 2HB ASP 106 47.325 90.199 89.930 752 H ASP 107 H ASP 107 49.959 90.779 90.547 753 HA ASP 107 HA ASP 107 49.832 90.054 93.350 754 1HB ASP 107 1HB ASP 107 51.929 89.856 91.176 755 2HB ASP 107 2HB ASP 107 52.146 89.160 92.782 756 H GLY 108 H GLY 108 50.937 92.903 91.770 757 1HA GLY 108 1HA GLY 108 51.591 94.826 93.128 758 2HA GLY 108 2HA GLY 108 52.338 93.712 94.269 759 H THR 109 H THR 109 53.260 92.397 91.438 760 HA THR 109 HA THR 109 55.978 93.176 91.592 761 HB THR 109 HB THR 109 54.446 92.274 89.134 762 HG1 THR 109 HG1 THR 109 55.476 90.824 91.340 763 1HG2 THR 109 1HG2 THR 109 56.607 91.119 88.643 764 2HG2 THR 109 2HG2 THR 109 57.314 91.921 90.046 765 3HG2 THR 109 3HG2 THR 109 56.758 92.876 88.671 766 H GLU 110 H GLU 110 57.094 94.957 90.746 767 HA GLU 110 HA GLU 110 55.467 97.002 89.316 768 1HB GLU 110 1HB GLU 110 56.642 97.581 91.420 769 2HB GLU 110 2HB GLU 110 58.178 97.132 90.678 770 1HG GLU 110 1HG GLU 110 57.861 98.876 88.958 771 2HG GLU 110 2HG GLU 110 56.327 99.328 89.700 772 H PHE 111 H PHE 111 55.999 97.685 87.256 773 HA PHE 111 HA PHE 111 58.570 97.143 85.993 774 1HB PHE 111 1HB PHE 111 57.801 95.452 84.436 775 2HB PHE 111 2HB PHE 111 57.397 94.900 86.058 776 HD1 PHE 111 HD1 PHE 111 56.089 96.065 82.846 777 HD2 PHE 111 HD2 PHE 111 55.053 94.989 86.872 778 HE1 PHE 111 HE1 PHE 111 53.706 95.890 82.185 779 HE2 PHE 111 HE2 PHE 111 52.670 94.814 86.211 780 HZ PHE 111 HZ PHE 111 51.995 95.265 83.868 781 H ILE 112 H ILE 112 58.818 98.364 84.128 782 HA ILE 112 HA ILE 112 56.604 100.275 83.546 783 HB ILE 112 HB ILE 112 58.453 101.629 82.589 784 1HG1 ILE 112 1HG1 ILE 112 60.355 99.517 83.617 785 2HG1 ILE 112 2HG1 ILE 112 59.781 99.493 81.950 786 1HG2 ILE 112 1HG2 ILE 112 57.971 101.919 84.940 787 2HG2 ILE 112 2HG2 ILE 112 59.723 101.919 84.743 788 3HG2 ILE 112 3HG2 ILE 112 58.905 100.482 85.357 789 1HD1 ILE 112 1HD1 ILE 112 60.539 101.928 81.798 790 2HD1 ILE 112 2HD1 ILE 112 61.825 100.727 81.911 791 3HD1 ILE 112 3HD1 ILE 112 61.367 101.663 83.333 792 H ALA 113 H ALA 113 56.173 100.844 81.300 793 HA ALA 113 HA ALA 113 56.824 98.669 79.340 794 1HB ALA 113 1HB ALA 113 54.499 99.868 78.472 795 2HB ALA 113 2HB ALA 113 54.330 99.986 80.225 796 3HB ALA 113 3HB ALA 113 54.551 98.410 79.464 797 HA PRO 114 HA PRO 114 58.814 102.487 77.777 798 1HB PRO 114 1HB PRO 114 60.239 101.241 75.820 799 2HB PRO 114 2HB PRO 114 60.789 101.322 77.507 800 1HG PRO 114 1HG PRO 114 59.448 99.092 76.058 801 2HG PRO 114 2HG PRO 114 60.789 99.042 77.214 802 1HD PRO 114 1HD PRO 114 58.252 98.422 77.902 803 2HD PRO 114 2HD PRO 114 59.402 99.159 79.037 804 H ILE 115 H ILE 115 58.290 103.743 76.120 805 HA ILE 115 HA ILE 115 56.298 102.722 74.119 806 HB ILE 115 HB ILE 115 56.896 105.534 75.108 807 1HG1 ILE 115 1HG1 ILE 115 54.513 103.792 75.792 808 2HG1 ILE 115 2HG1 ILE 115 55.939 103.900 76.824 809 1HG2 ILE 115 1HG2 ILE 115 54.453 104.531 73.638 810 2HG2 ILE 115 2HG2 ILE 115 55.853 105.196 72.795 811 3HG2 ILE 115 3HG2 ILE 115 54.941 106.202 73.920 812 1HD1 ILE 115 1HD1 ILE 115 53.963 106.060 76.122 813 2HD1 ILE 115 2HD1 ILE 115 55.585 106.467 76.680 814 3HD1 ILE 115 3HD1 ILE 115 54.503 105.538 77.718 815 H ALA 116 H ALA 116 57.096 102.507 72.092 816 HA ALA 116 HA ALA 116 59.683 103.024 71.185 817 1HB ALA 116 1HB ALA 116 57.959 101.655 70.067 818 2HB ALA 116 2HB ALA 116 58.669 102.814 68.944 819 3HB ALA 116 3HB ALA 116 57.077 103.119 69.637 820 H ALA 117 H ALA 117 60.236 104.630 69.333 821 HA ALA 117 HA ALA 117 59.500 107.365 70.236 822 1HB ALA 117 1HB ALA 117 61.881 106.390 70.009 823 2HB ALA 117 2HB ALA 117 61.592 107.971 69.282 824 3HB ALA 117 3HB ALA 117 61.635 106.529 68.268 825 H PHE 118 H PHE 118 57.974 108.414 69.057 826 HA PHE 118 HA PHE 118 57.672 107.737 66.152 827 1HB PHE 118 1HB PHE 118 55.340 108.628 66.479 828 2HB PHE 118 2HB PHE 118 55.685 107.208 67.460 829 HD1 PHE 118 HD1 PHE 118 55.904 107.365 69.881 830 HD2 PHE 118 HD2 PHE 118 55.156 110.855 67.493 831 HE1 PHE 118 HE1 PHE 118 55.303 108.634 71.926 832 HE2 PHE 118 HE2 PHE 118 54.558 112.126 69.538 833 HZ PHE 118 HZ PHE 118 54.630 111.015 71.753 834 H VAL 119 H VAL 119 57.324 109.639 64.718 835 HA VAL 119 HA VAL 119 58.486 112.137 65.905 836 HB VAL 119 HB VAL 119 58.652 110.988 63.096 837 1HG1 VAL 119 1HG1 VAL 119 59.901 113.443 64.365 838 2HG1 VAL 119 2HG1 VAL 119 58.764 113.410 63.018 839 3HG1 VAL 119 3HG1 VAL 119 60.397 112.777 62.809 840 1HG2 VAL 119 1HG2 VAL 119 61.141 110.861 63.815 841 2HG2 VAL 119 2HG2 VAL 119 60.042 109.642 64.459 842 3HG2 VAL 119 3HG2 VAL 119 60.529 111.008 65.462 843 H LEU 120 H LEU 120 57.657 114.134 65.142 844 HA LEU 120 HA LEU 120 54.912 113.981 63.937 845 1HB LEU 120 1HB LEU 120 56.222 115.839 65.944 846 2HB LEU 120 2HB LEU 120 54.693 116.231 65.164 847 HG LEU 120 HG LEU 120 53.799 114.020 66.017 848 1HD1 LEU 120 1HD1 LEU 120 55.274 113.429 68.207 849 2HD1 LEU 120 2HD1 LEU 120 56.559 113.950 67.116 850 3HD1 LEU 120 3HD1 LEU 120 55.496 112.621 66.656 851 1HD2 LEU 120 1HD2 LEU 120 54.651 115.518 68.439 852 2HD2 LEU 120 2HD2 LEU 120 53.032 115.068 67.906 853 3HD2 LEU 120 3HD2 LEU 120 53.841 116.460 67.189 854 H SER 121 H SER 121 54.685 115.002 61.974 855 HA SER 121 HA SER 121 56.431 117.275 61.241 856 1HB SER 121 1HB SER 121 56.347 114.676 59.679 857 2HB SER 121 2HB SER 121 57.283 116.108 59.262 858 HG SER 121 HG SER 121 57.906 114.105 60.924 Start of MODEL 11 1 H ARG 6 1H ARG 6 56.260 87.070 83.091 2 HA ARG 6 HA ARG 6 53.773 86.328 81.620 3 1HB ARG 6 1HB ARG 6 54.195 86.455 84.618 4 2HB ARG 6 2HB ARG 6 52.599 86.408 83.868 5 1HG ARG 6 1HG ARG 6 53.175 84.275 82.769 6 2HG ARG 6 2HG ARG 6 54.770 84.318 83.520 7 1HD ARG 6 1HD ARG 6 52.140 84.266 85.048 8 2HD ARG 6 2HD ARG 6 53.217 82.874 84.817 9 HE ARG 6 HE ARG 6 53.768 85.210 86.530 10 1HH1 ARG 6 2HH1 ARG 6 54.235 82.235 87.128 11 2HH1 ARG 6 1HH1 ARG 6 55.966 82.165 87.086 12 1HH2 ARG 6 1HH2 ARG 6 56.315 85.222 85.488 13 2HH2 ARG 6 2HH2 ARG 6 57.142 83.857 86.158 14 H TYR 7 H TYR 7 55.834 88.724 82.052 15 HA TYR 7 HA TYR 7 53.749 90.825 82.543 16 1HB TYR 7 1HB TYR 7 56.755 90.860 82.986 17 2HB TYR 7 2HB TYR 7 55.652 92.182 83.361 18 HD1 TYR 7 HD1 TYR 7 53.829 91.815 85.090 19 HD2 TYR 7 HD2 TYR 7 57.043 89.032 84.476 20 HE1 TYR 7 HE1 TYR 7 53.370 90.794 87.303 21 HE2 TYR 7 HE2 TYR 7 56.582 88.012 86.689 22 HH TYR 7 HH TYR 7 54.824 89.444 89.041 23 H ARG 8 H ARG 8 53.147 91.444 80.485 24 HA ARG 8 HA ARG 8 55.236 92.592 78.694 25 1HB ARG 8 1HB ARG 8 53.311 90.348 78.020 26 2HB ARG 8 2HB ARG 8 54.177 91.278 76.798 27 1HG ARG 8 1HG ARG 8 56.328 90.638 77.946 28 2HG ARG 8 2HG ARG 8 55.390 89.561 78.979 29 1HD ARG 8 1HD ARG 8 54.552 88.380 76.941 30 2HD ARG 8 2HD ARG 8 55.611 89.406 75.953 31 HE ARG 8 HE ARG 8 56.496 87.250 77.739 32 1HH1 ARG 8 1HH2 ARG 8 57.427 88.647 74.991 33 2HH1 ARG 8 2HH2 ARG 8 59.053 89.026 75.447 34 1HH2 ARG 8 2HH1 ARG 8 58.536 88.394 78.818 35 2HH2 ARG 8 1HH1 ARG 8 59.681 88.883 77.615 36 H VAL 9 H VAL 9 54.508 94.421 77.746 37 HA VAL 9 HA VAL 9 51.610 94.908 77.305 38 HB VAL 9 HB VAL 9 53.401 96.592 79.099 39 1HG1 VAL 9 1HG1 VAL 9 51.112 97.317 77.556 40 2HG1 VAL 9 2HG1 VAL 9 51.961 98.289 78.756 41 3HG1 VAL 9 3HG1 VAL 9 50.607 97.271 79.246 42 1HG2 VAL 9 1HG2 VAL 9 51.096 94.710 79.641 43 2HG2 VAL 9 2HG2 VAL 9 51.558 95.967 80.789 44 3HG2 VAL 9 3HG2 VAL 9 52.706 94.698 80.361 45 H GLU 10 H GLU 10 51.592 95.589 75.240 46 HA GLU 10 HA GLU 10 53.837 97.266 74.125 47 1HB GLU 10 1HB GLU 10 53.257 95.050 73.104 48 2HB GLU 10 2HB GLU 10 51.622 95.650 72.828 49 1HG GLU 10 1HG GLU 10 52.525 97.487 71.446 50 2HG GLU 10 2HG GLU 10 54.161 96.887 71.719 51 H VAL 11 H VAL 11 53.456 99.314 73.692 52 HA VAL 11 HA VAL 11 50.618 100.292 73.614 53 HB VAL 11 HB VAL 11 53.187 101.658 74.502 54 1HG1 VAL 11 1HG1 VAL 11 52.003 103.604 74.801 55 2HG1 VAL 11 2HG1 VAL 11 50.496 102.758 75.150 56 3HG1 VAL 11 3HG1 VAL 11 51.039 102.941 73.483 57 1HG2 VAL 11 1HG2 VAL 11 51.855 99.765 75.895 58 2HG2 VAL 11 2HG2 VAL 11 50.901 101.175 76.350 59 3HG2 VAL 11 3HG2 VAL 11 52.634 101.142 76.674 60 H GLU 12 H GLU 12 50.039 101.452 71.753 61 HA GLU 12 HA GLU 12 52.225 102.115 69.798 62 1HB GLU 12 1HB GLU 12 49.438 100.976 69.441 63 2HB GLU 12 2HB GLU 12 50.421 101.566 68.100 64 1HG GLU 12 1HG GLU 12 52.196 99.957 68.684 65 2HG GLU 12 2HG GLU 12 51.218 99.365 70.028 66 H VAL 13 H VAL 13 52.157 104.180 68.980 67 HA VAL 13 HA VAL 13 49.750 105.875 69.572 68 HB VAL 13 HB VAL 13 52.702 106.550 69.813 69 1HG1 VAL 13 1HG1 VAL 13 51.592 108.551 69.168 70 2HG1 VAL 13 2HG1 VAL 13 51.704 108.643 70.926 71 3HG1 VAL 13 3HG1 VAL 13 50.183 108.182 70.162 72 1HG2 VAL 13 1HG2 VAL 13 51.853 105.095 71.629 73 2HG2 VAL 13 2HG2 VAL 13 50.544 106.238 71.926 74 3HG2 VAL 13 3HG2 VAL 13 52.216 106.714 72.227 75 H SER 14 H SER 14 49.046 107.114 67.899 76 HA SER 14 HA SER 14 50.757 107.249 65.443 77 1HB SER 14 1HB SER 14 47.766 106.851 65.758 78 2HB SER 14 2HB SER 14 48.576 107.076 64.211 79 HG SER 14 HG SER 14 48.292 104.860 64.747 80 HA PRO 15 HA PRO 15 49.720 111.574 66.397 81 1HB PRO 15 1HB PRO 15 51.926 112.691 65.266 82 2HB PRO 15 2HB PRO 15 51.941 111.989 66.897 83 1HG PRO 15 1HG PRO 15 52.921 110.844 64.335 84 2HG PRO 15 2HG PRO 15 53.620 110.743 65.959 85 1HD PRO 15 1HD PRO 15 52.212 108.722 64.806 86 2HD PRO 15 2HD PRO 15 52.304 108.978 66.561 87 H ARG 16 H ARG 16 49.343 113.458 65.019 88 HA ARG 16 HA ARG 16 49.364 113.130 62.086 89 1HB ARG 16 1HB ARG 16 46.881 113.338 61.957 90 2HB ARG 16 2HB ARG 16 47.375 111.855 62.771 91 1HG ARG 16 1HG ARG 16 47.026 112.942 64.961 92 2HG ARG 16 2HG ARG 16 46.518 114.421 64.145 93 1HD ARG 16 1HD ARG 16 45.147 111.728 63.818 94 2HD ARG 16 2HD ARG 16 44.561 113.045 64.853 95 HE ARG 16 HE ARG 16 44.877 114.366 62.513 96 1HH1 ARG 16 1HH2 ARG 16 42.461 112.532 63.713 97 2HH1 ARG 16 2HH2 ARG 16 41.804 112.009 62.198 98 1HH2 ARG 16 2HH1 ARG 16 44.493 113.157 60.334 99 2HH2 ARG 16 1HH1 ARG 16 42.955 112.363 60.284 100 H PHE 17 H PHE 17 49.670 115.084 61.209 101 HA PHE 17 HA PHE 17 50.019 117.465 62.743 102 1HB PHE 17 1HB PHE 17 51.080 116.887 60.575 103 2HB PHE 17 2HB PHE 17 49.523 117.107 59.775 104 HD1 PHE 17 HD1 PHE 17 51.996 118.882 61.951 105 HD2 PHE 17 HD2 PHE 17 48.861 119.241 59.036 106 HE1 PHE 17 HE1 PHE 17 52.430 121.318 61.785 107 HE2 PHE 17 HE2 PHE 17 49.296 121.677 58.871 108 HZ PHE 17 HZ PHE 17 51.079 122.716 60.245 109 H LEU 18 H LEU 18 48.644 119.189 63.167 110 HA LEU 18 HA LEU 18 45.810 119.027 62.146 111 1HB LEU 18 1HB LEU 18 46.994 120.050 64.748 112 2HB LEU 18 2HB LEU 18 45.302 120.242 64.296 113 HG LEU 18 HG LEU 18 46.718 117.571 64.504 114 1HD1 LEU 18 1HD1 LEU 18 46.537 118.035 66.739 115 2HD1 LEU 18 2HD1 LEU 18 44.858 117.565 66.480 116 3HD1 LEU 18 3HD1 LEU 18 45.304 119.271 66.488 117 1HD2 LEU 18 1HD2 LEU 18 43.881 118.448 63.942 118 2HD2 LEU 18 2HD2 LEU 18 44.239 116.835 64.560 119 3HD2 LEU 18 3HD2 LEU 18 44.891 117.349 63.004 120 H ALA 19 H ALA 19 46.562 120.217 60.285 121 HA ALA 19 HA ALA 19 47.624 122.932 60.374 122 1HB ALA 19 1HB ALA 19 47.382 121.068 58.504 123 2HB ALA 19 2HB ALA 19 47.348 122.781 58.082 124 3HB ALA 19 3HB ALA 19 45.840 121.875 58.218 125 H HIS 20 H HIS 20 44.320 121.586 60.334 126 HA HIS 20 HA HIS 20 43.004 124.123 59.931 127 1HB HIS 20 1HB HIS 20 42.091 121.801 59.522 128 2HB HIS 20 2HB HIS 20 41.956 121.609 61.270 129 HD1 HIS 20 HD1 HIS 20 40.863 124.200 58.675 130 HD2 HIS 20 HD2 HIS 20 39.481 122.404 62.175 131 HE1 HIS 20 HE1 HIS 20 38.549 125.139 59.098 132 H GLN 21 H GLN 21 44.311 122.539 62.765 133 HA GLN 21 HA GLN 21 43.106 124.686 64.483 134 1HB GLN 21 1HB GLN 21 43.820 121.789 65.001 135 2HB GLN 21 2HB GLN 21 43.399 122.917 66.290 136 1HG GLN 21 1HG GLN 21 41.618 122.413 63.894 137 2HG GLN 21 2HG GLN 21 41.465 121.524 65.410 138 1HE2 GLN 21 1HE2 GLN 21 40.336 122.541 67.112 139 2HE2 GLN 21 2HE2 GLN 21 39.778 124.144 67.056 140 H SER 22 H SER 22 45.577 125.120 63.077 141 HA SER 22 HA SER 22 47.342 125.669 65.349 142 1HB SER 22 1HB SER 22 47.721 123.263 64.860 143 2HB SER 22 2HB SER 22 48.154 123.682 63.205 144 HG SER 22 HG SER 22 49.890 124.866 64.011 145 H THR 23 H THR 23 48.915 127.238 64.806 146 HA THR 23 HA THR 23 48.910 128.198 61.961 147 HB THR 23 HB THR 23 47.714 129.725 63.454 148 HG1 THR 23 HG1 THR 23 48.924 131.533 63.029 149 1HG2 THR 23 1HG2 THR 23 48.283 129.866 65.623 150 2HG2 THR 23 2HG2 THR 23 49.775 130.680 65.158 151 3HG2 THR 23 3HG2 THR 23 49.745 128.928 65.326 152 HA PRO 24 HA PRO 24 53.153 126.856 62.980 153 1HB PRO 24 1HB PRO 24 53.966 126.515 60.393 154 2HB PRO 24 2HB PRO 24 53.074 125.277 61.300 155 1HG PRO 24 1HG PRO 24 52.078 127.223 59.285 156 2HG PRO 24 2HG PRO 24 51.656 125.518 59.515 157 1HD PRO 24 1HD PRO 24 50.085 127.556 60.363 158 2HD PRO 24 2HD PRO 24 50.146 125.976 61.171 159 H ASP 25 H ASP 25 51.951 129.383 60.864 160 HA ASP 25 HA ASP 25 54.447 130.644 60.234 161 1HB ASP 25 1HB ASP 25 52.156 130.972 59.177 162 2HB ASP 25 2HB ASP 25 51.735 131.956 60.579 163 H GLU 26 H GLU 26 52.506 130.681 63.146 164 HA GLU 26 HA GLU 26 54.101 132.971 64.225 165 1HB GLU 26 1HB GLU 26 51.544 132.878 64.204 166 2HB GLU 26 2HB GLU 26 51.679 131.606 65.418 167 1HG GLU 26 1HG GLU 26 52.800 133.082 66.955 168 2HG GLU 26 2HG GLU 26 52.969 134.329 65.720 169 H GLY 27 H GLY 27 54.956 130.014 63.964 170 1HA GLY 27 1HA GLY 27 56.292 128.568 65.242 171 2HA GLY 27 2HA GLY 27 56.350 129.825 66.476 172 H ARG 28 H ARG 28 53.302 128.586 65.314 173 HA ARG 28 HA ARG 28 52.908 127.181 67.938 174 1HB ARG 28 1HB ARG 28 51.380 129.201 66.407 175 2HB ARG 28 2HB ARG 28 50.408 127.897 67.090 176 1HG ARG 28 1HG ARG 28 51.627 128.330 69.295 177 2HG ARG 28 2HG ARG 28 52.235 129.811 68.554 178 1HD ARG 28 1HD ARG 28 49.277 129.200 68.531 179 2HD ARG 28 2HD ARG 28 50.035 129.983 69.932 180 HE ARG 28 HE ARG 28 50.778 131.183 67.365 181 1HH1 ARG 28 1HH2 ARG 28 49.871 131.913 70.438 182 2HH1 ARG 28 2HH2 ARG 28 48.768 133.187 70.036 183 1HH2 ARG 28 2HH1 ARG 28 48.788 132.489 66.640 184 2HH2 ARG 28 1HH1 ARG 28 48.155 133.512 67.885 185 H TYR 29 H TYR 29 53.396 125.076 67.126 186 HA TYR 29 HA TYR 29 51.737 124.073 64.842 187 1HB TYR 29 1HB TYR 29 54.164 122.905 66.255 188 2HB TYR 29 2HB TYR 29 53.421 122.280 64.786 189 HD1 TYR 29 HD1 TYR 29 55.296 125.138 66.230 190 HD2 TYR 29 HD2 TYR 29 53.858 123.265 62.642 191 HE1 TYR 29 HE1 TYR 29 56.709 126.657 64.871 192 HE2 TYR 29 HE2 TYR 29 55.270 124.787 61.283 193 HH TYR 29 HH TYR 29 56.287 127.173 61.660 194 H ALA 30 H ALA 30 50.115 122.629 65.293 195 HA ALA 30 HA ALA 30 49.955 121.604 68.101 196 1HB ALA 30 1HB ALA 30 47.591 121.753 66.264 197 2HB ALA 30 2HB ALA 30 48.248 123.254 66.917 198 3HB ALA 30 3HB ALA 30 47.663 121.999 68.009 199 H PHE 31 H PHE 31 50.300 119.428 68.279 200 HA PHE 31 HA PHE 31 49.625 117.665 65.942 201 1HB PHE 31 1HB PHE 31 51.726 117.492 68.123 202 2HB PHE 31 2HB PHE 31 51.392 116.179 66.997 203 HD1 PHE 31 HD1 PHE 31 52.677 119.628 67.326 204 HD2 PHE 31 HD2 PHE 31 52.053 116.308 64.674 205 HE1 PHE 31 HE1 PHE 31 54.165 120.686 65.651 206 HE2 PHE 31 HE2 PHE 31 53.538 117.370 62.995 207 HZ PHE 31 HZ PHE 31 54.595 119.560 63.484 208 H ALA 32 H ALA 32 48.134 116.011 66.361 209 HA ALA 32 HA ALA 32 47.271 115.619 69.209 210 1HB ALA 32 1HB ALA 32 45.368 116.336 68.096 211 2HB ALA 32 2HB ALA 32 45.264 114.617 67.719 212 3HB ALA 32 3HB ALA 32 45.936 115.740 66.537 213 H TYR 33 H TYR 33 47.603 113.532 70.028 214 HA TYR 33 HA TYR 33 48.262 111.415 68.007 215 1HB TYR 33 1HB TYR 33 50.096 110.710 69.389 216 2HB TYR 33 2HB TYR 33 50.222 112.453 69.201 217 HD1 TYR 33 HD1 TYR 33 50.034 109.736 71.516 218 HD2 TYR 33 HD2 TYR 33 49.215 113.929 71.094 219 HE1 TYR 33 HE1 TYR 33 50.044 109.982 73.979 220 HE2 TYR 33 HE2 TYR 33 49.213 114.171 73.561 221 HH TYR 33 HH TYR 33 48.852 111.799 75.648 222 H SER 34 H SER 34 47.471 109.351 68.401 223 HA SER 34 HA SER 34 45.528 109.091 70.663 224 1HB SER 34 1HB SER 34 45.832 107.667 67.998 225 2HB SER 34 2HB SER 34 44.575 107.312 69.179 226 HG SER 34 HG SER 34 44.081 108.869 67.421 227 H ILE 35 H ILE 35 45.818 107.423 72.131 228 HA ILE 35 HA ILE 35 48.345 105.791 71.914 229 HB ILE 35 HB ILE 35 46.592 106.600 74.246 230 1HG1 ILE 35 1HG1 ILE 35 49.340 107.592 73.422 231 2HG1 ILE 35 2HG1 ILE 35 47.840 108.466 73.111 232 1HG2 ILE 35 1HG2 ILE 35 48.905 105.920 75.382 233 2HG2 ILE 35 2HG2 ILE 35 49.040 104.896 73.953 234 3HG2 ILE 35 3HG2 ILE 35 47.670 104.706 75.047 235 1HD1 ILE 35 1HD1 ILE 35 48.157 107.573 75.901 236 2HD1 ILE 35 2HD1 ILE 35 47.641 109.137 75.269 237 3HD1 ILE 35 3HD1 ILE 35 49.359 108.752 75.377 238 H ARG 36 H ARG 36 48.213 103.655 71.770 239 HA ARG 36 HA ARG 36 45.608 102.295 72.371 240 1HB ARG 36 1HB ARG 36 47.609 102.015 70.129 241 2HB ARG 36 2HB ARG 36 46.506 100.695 70.517 242 1HG ARG 36 1HG ARG 36 44.601 102.339 70.317 243 2HG ARG 36 2HG ARG 36 45.763 103.518 69.709 244 1HD ARG 36 1HD ARG 36 45.791 100.842 68.394 245 2HD ARG 36 2HD ARG 36 44.400 101.889 68.050 246 HE ARG 36 HE ARG 36 45.903 103.534 67.128 247 1HH1 ARG 36 1HH2 ARG 36 47.108 100.470 66.935 248 2HH1 ARG 36 2HH2 ARG 36 48.778 100.913 66.827 249 1HH2 ARG 36 2HH1 ARG 36 48.220 104.243 67.619 250 2HH2 ARG 36 1HH1 ARG 36 49.408 103.049 67.213 251 H ILE 37 H ILE 37 46.152 101.528 74.406 252 HA ILE 37 HA ILE 37 48.720 100.093 74.886 253 HB ILE 37 HB ILE 37 46.364 100.829 76.652 254 1HG1 ILE 37 1HG1 ILE 37 49.101 102.121 76.466 255 2HG1 ILE 37 2HG1 ILE 37 47.682 102.739 75.622 256 1HG2 ILE 37 1HG2 ILE 37 49.172 100.047 77.473 257 2HG2 ILE 37 2HG2 ILE 37 47.846 98.887 77.389 258 3HG2 ILE 37 3HG2 ILE 37 47.759 100.245 78.511 259 1HD1 ILE 37 1HD1 ILE 37 46.709 102.421 78.170 260 2HD1 ILE 37 2HD1 ILE 37 47.336 103.937 77.523 261 3HD1 ILE 37 3HD1 ILE 37 48.380 102.890 78.482 262 H GLN 38 H GLN 38 48.759 97.924 74.429 263 HA GLN 38 HA GLN 38 46.246 96.335 74.873 264 1HB GLN 38 1HB GLN 38 47.194 94.815 73.120 265 2HB GLN 38 2HB GLN 38 46.908 96.442 72.507 266 1HG GLN 38 1HG GLN 38 49.220 96.997 72.601 267 2HG GLN 38 2HG GLN 38 49.597 95.587 73.592 268 1HE2 GLN 38 1HE2 GLN 38 50.610 93.990 72.379 269 2HE2 GLN 38 2HE2 GLN 38 50.287 93.647 70.748 270 H ASN 39 H ASN 39 46.390 94.594 76.196 271 HA ASN 39 HA ASN 39 48.856 94.342 77.787 272 1HB ASN 39 1HB ASN 39 46.564 94.524 78.775 273 2HB ASN 39 2HB ASN 39 46.164 92.965 78.054 274 1HD2 ASN 39 1HD2 ASN 39 46.346 93.652 80.970 275 2HD2 ASN 39 2HD2 ASN 39 47.506 92.594 81.615 276 H ALA 40 H ALA 40 50.390 92.850 77.180 277 HA ALA 40 HA ALA 40 49.483 90.356 75.772 278 1HB ALA 40 1HB ALA 40 50.832 91.867 74.389 279 2HB ALA 40 2HB ALA 40 51.779 90.432 74.779 280 3HB ALA 40 3HB ALA 40 52.070 91.942 75.642 281 H GLY 41 H GLY 41 50.255 91.279 78.791 282 1HA GLY 41 1HA GLY 41 52.334 89.299 79.400 283 2HA GLY 41 2HA GLY 41 51.500 90.323 80.570 284 H ALA 42 H ALA 42 51.662 87.907 81.525 285 HA ALA 42 HA ALA 42 49.392 86.240 80.617 286 1HB ALA 42 1HB ALA 42 51.045 85.529 82.978 287 2HB ALA 42 2HB ALA 42 51.902 85.673 81.443 288 3HB ALA 42 3HB ALA 42 50.567 84.532 81.603 289 H VAL 43 H VAL 43 50.430 88.185 83.352 290 HA VAL 43 HA VAL 43 47.874 87.606 84.793 291 HB VAL 43 HB VAL 43 50.508 88.887 85.627 292 1HG1 VAL 43 1HG1 VAL 43 48.269 87.985 87.447 293 2HG1 VAL 43 2HG1 VAL 43 48.413 89.649 86.879 294 3HG1 VAL 43 3HG1 VAL 43 49.691 88.940 87.867 295 1HG2 VAL 43 1HG2 VAL 43 49.296 86.153 86.123 296 2HG2 VAL 43 2HG2 VAL 43 50.717 86.763 86.970 297 3HG2 VAL 43 3HG2 VAL 43 50.769 86.514 85.224 298 HA PRO 44 HA PRO 44 46.123 91.417 83.495 299 1HB PRO 44 1HB PRO 44 44.733 92.134 85.749 300 2HB PRO 44 2HB PRO 44 44.169 90.907 84.596 301 1HG PRO 44 1HG PRO 44 45.627 90.537 87.178 302 2HG PRO 44 2HG PRO 44 44.205 89.676 86.557 303 1HD PRO 44 1HD PRO 44 46.616 88.579 86.396 304 2HD PRO 44 2HD PRO 44 45.457 88.412 85.062 305 H ALA 45 H ALA 45 46.694 93.568 83.597 306 HA ALA 45 HA ALA 45 48.325 94.542 85.918 307 1HB ALA 45 1HB ALA 45 50.067 94.042 84.521 308 2HB ALA 45 2HB ALA 45 49.631 95.588 83.793 309 3HB ALA 45 3HB ALA 45 49.054 94.083 83.078 310 H ARG 46 H ARG 46 48.268 96.804 86.184 311 HA ARG 46 HA ARG 46 46.326 98.305 84.456 312 1HB ARG 46 1HB ARG 46 45.550 99.369 86.558 313 2HB ARG 46 2HB ARG 46 45.370 97.618 86.631 314 1HG ARG 46 1HG ARG 46 47.485 97.446 87.891 315 2HG ARG 46 2HG ARG 46 47.667 99.200 87.823 316 1HD ARG 46 1HD ARG 46 45.462 99.419 89.017 317 2HD ARG 46 2HD ARG 46 45.452 97.655 89.216 318 HE ARG 46 HE ARG 46 47.578 99.445 90.329 319 1HH1 ARG 46 2HH1 ARG 46 48.132 96.463 89.878 320 2HH1 ARG 46 1HH1 ARG 46 47.804 95.829 91.456 321 1HH2 ARG 46 1HH2 ARG 46 46.122 98.664 92.533 322 2HH2 ARG 46 2HH2 ARG 46 46.665 97.076 92.959 323 H LEU 47 H LEU 47 46.741 100.664 84.402 324 HA LEU 47 HA LEU 47 49.646 101.272 84.658 325 1HB LEU 47 1HB LEU 47 48.206 101.608 82.552 326 2HB LEU 47 2HB LEU 47 47.443 102.941 83.419 327 HG LEU 47 HG LEU 47 50.444 102.748 83.135 328 1HD1 LEU 47 1HD1 LEU 47 49.953 102.908 80.883 329 2HD1 LEU 47 2HD1 LEU 47 49.857 104.615 81.319 330 3HD1 LEU 47 3HD1 LEU 47 48.384 103.657 81.171 331 1HD2 LEU 47 1HD2 LEU 47 48.430 104.794 84.005 332 2HD2 LEU 47 2HD2 LEU 47 49.934 105.347 83.268 333 3HD2 LEU 47 3HD2 LEU 47 49.978 104.371 84.734 334 H VAL 48 H VAL 48 50.206 102.193 86.580 335 HA VAL 48 HA VAL 48 48.200 103.813 88.074 336 HB VAL 48 HB VAL 48 49.789 103.467 89.952 337 1HG1 VAL 48 1HG1 VAL 48 49.553 100.950 90.017 338 2HG1 VAL 48 2HG1 VAL 48 48.948 101.031 88.362 339 3HG1 VAL 48 3HG1 VAL 48 48.058 101.818 89.665 340 1HG2 VAL 48 1HG2 VAL 48 51.333 101.642 88.112 341 2HG2 VAL 48 2HG2 VAL 48 51.800 102.249 89.699 342 3HG2 VAL 48 3HG2 VAL 48 51.790 103.332 88.310 343 H ALA 49 H ALA 49 51.283 104.122 86.388 344 HA ALA 49 HA ALA 49 51.148 107.056 86.913 345 1HB ALA 49 1HB ALA 49 53.128 105.099 87.834 346 2HB ALA 49 2HB ALA 49 52.810 106.732 88.419 347 3HB ALA 49 3HB ALA 49 53.857 106.485 87.022 348 H ARG 50 H ARG 50 52.535 108.312 85.424 349 HA ARG 50 HA ARG 50 53.400 106.958 82.891 350 1HB ARG 50 1HB ARG 50 51.996 108.475 81.594 351 2HB ARG 50 2HB ARG 50 50.988 107.575 82.724 352 1HG ARG 50 1HG ARG 50 51.219 109.552 84.315 353 2HG ARG 50 2HG ARG 50 51.930 110.441 82.968 354 1HD ARG 50 1HD ARG 50 49.911 110.182 81.646 355 2HD ARG 50 2HD ARG 50 49.205 109.106 82.866 356 HE ARG 50 HE ARG 50 48.987 110.996 84.363 357 1HH1 ARG 50 1HH2 ARG 50 47.875 112.203 81.855 358 2HH1 ARG 50 2HH2 ARG 50 48.745 113.697 81.754 359 1HH2 ARG 50 2HH1 ARG 50 51.200 112.725 84.002 360 2HH2 ARG 50 1HH1 ARG 50 50.627 113.993 82.971 361 H HIS 51 H HIS 51 55.070 107.962 81.902 362 HA HIS 51 HA HIS 51 55.881 110.706 82.733 363 1HB HIS 51 1HB HIS 51 56.971 109.101 84.262 364 2HB HIS 51 2HB HIS 51 57.593 108.203 82.881 365 HD1 HIS 51 HD1 HIS 51 60.014 108.793 83.926 366 HD2 HIS 51 HD2 HIS 51 57.861 112.023 82.409 367 HE1 HIS 51 HE1 HIS 51 61.671 110.685 83.633 368 H TRP 52 H TRP 52 56.028 111.744 80.804 369 HA TRP 52 HA TRP 52 56.783 110.260 78.328 370 1HB TRP 52 1HB TRP 52 55.519 112.902 79.042 371 2HB TRP 52 2HB TRP 52 56.072 112.573 77.403 372 HD1 TRP 52 HD1 TRP 52 53.172 112.117 79.615 373 HE1 TRP 52 HE1 TRP 52 51.464 110.502 78.555 374 HE3 TRP 52 HE3 TRP 52 56.021 110.164 75.854 375 HZ2 TRP 52 HZ2 TRP 52 51.327 108.634 76.395 376 HZ3 TRP 52 HZ3 TRP 52 55.077 108.469 74.312 377 HH2 TRP 52 HH2 TRP 52 52.735 107.701 74.579 378 H GLN 53 H GLN 53 58.717 110.590 77.317 379 HA GLN 53 HA GLN 53 60.536 112.749 78.342 380 1HB GLN 53 1HB GLN 53 61.007 109.992 77.169 381 2HB GLN 53 2HB GLN 53 62.307 111.149 77.453 382 1HG GLN 53 1HG GLN 53 61.629 111.261 79.854 383 2HG GLN 53 2HG GLN 53 60.429 110.005 79.540 384 1HE2 GLN 53 1HE2 GLN 53 61.281 108.118 80.455 385 2HE2 GLN 53 2HE2 GLN 53 62.857 107.546 80.194 386 H ILE 54 H ILE 54 59.292 114.125 76.691 387 HA ILE 54 HA ILE 54 59.743 113.505 73.844 388 HB ILE 54 HB ILE 54 58.295 115.396 73.480 389 1HG1 ILE 54 1HG1 ILE 54 58.483 116.007 76.445 390 2HG1 ILE 54 2HG1 ILE 54 59.345 116.902 75.196 391 1HG2 ILE 54 1HG2 ILE 54 57.279 113.274 74.329 392 2HG2 ILE 54 2HG2 ILE 54 56.328 114.708 74.714 393 3HG2 ILE 54 3HG2 ILE 54 57.323 113.951 75.957 394 1HD1 ILE 54 1HD1 ILE 54 57.002 117.167 74.093 395 2HD1 ILE 54 2HD1 ILE 54 57.407 118.182 75.478 396 3HD1 ILE 54 3HD1 ILE 54 56.386 116.760 75.695 397 H THR 55 H THR 55 61.344 114.298 72.609 398 HA THR 55 HA THR 55 62.996 116.585 73.643 399 HB THR 55 HB THR 55 63.917 114.312 71.842 400 HG1 THR 55 HG1 THR 55 64.462 113.186 73.590 401 1HG2 THR 55 1HG2 THR 55 65.165 116.650 73.176 402 2HG2 THR 55 2HG2 THR 55 65.604 115.840 71.673 403 3HG2 THR 55 3HG2 THR 55 66.095 115.152 73.220 404 H ASP 56 H ASP 56 63.159 118.293 72.314 405 HA ASP 56 HA ASP 56 61.615 118.211 69.829 406 1HB ASP 56 1HB ASP 56 61.575 120.027 71.616 407 2HB ASP 56 2HB ASP 56 63.170 120.511 71.038 408 H GLY 57 H GLY 57 62.565 119.372 67.882 409 1HA GLY 57 1HA GLY 57 64.842 118.002 66.895 410 2HA GLY 57 2HA GLY 57 64.119 119.416 66.141 411 H ASN 58 H ASN 58 64.874 120.628 69.097 412 HA ASN 58 HA ASN 58 67.541 121.542 68.125 413 1HB ASN 58 1HB ASN 58 65.380 122.630 69.914 414 2HB ASN 58 2HB ASN 58 67.025 123.248 70.077 415 1HD2 ASN 58 1HD2 ASN 58 64.151 123.369 68.124 416 2HD2 ASN 58 2HD2 ASN 58 64.765 124.389 66.916 417 H GLY 59 H GLY 59 66.529 119.077 69.969 418 1HA GLY 59 1HA GLY 59 67.981 117.719 71.309 419 2HA GLY 59 2HA GLY 59 69.000 119.128 71.590 420 H ARG 60 H ARG 60 66.454 120.705 72.299 421 HA ARG 60 HA ARG 60 66.608 120.444 75.139 422 1HB ARG 60 1HB ARG 60 65.069 121.885 73.105 423 2HB ARG 60 2HB ARG 60 64.096 121.523 74.528 424 1HG ARG 60 1HG ARG 60 65.059 123.299 75.529 425 2HG ARG 60 2HG ARG 60 66.560 122.377 75.569 426 1HD ARG 60 1HD ARG 60 66.910 124.575 74.477 427 2HD ARG 60 2HD ARG 60 67.132 123.263 73.302 428 HE ARG 60 HE ARG 60 64.446 123.796 73.088 429 1HH1 ARG 60 1HH2 ARG 60 67.021 124.807 71.443 430 2HH1 ARG 60 2HH2 ARG 60 66.479 126.418 71.107 431 1HH2 ARG 60 2HH1 ARG 60 63.843 126.285 73.357 432 2HH2 ARG 60 1HH1 ARG 60 64.680 127.254 72.191 433 H THR 61 H THR 61 65.367 119.235 76.616 434 HA THR 61 HA THR 61 63.390 117.329 75.420 435 HB THR 61 HB THR 61 64.255 115.723 77.129 436 HG1 THR 61 HG1 THR 61 66.229 117.705 77.564 437 1HG2 THR 61 1HG2 THR 61 65.938 116.936 74.995 438 2HG2 THR 61 2HG2 THR 61 65.356 115.282 75.165 439 3HG2 THR 61 3HG2 THR 61 66.738 115.831 76.111 440 H GLU 62 H GLU 62 61.441 117.079 76.602 441 HA GLU 62 HA GLU 62 61.202 118.666 79.139 442 1HB GLU 62 1HB GLU 62 60.082 119.658 77.157 443 2HB GLU 62 2HB GLU 62 59.170 118.164 76.937 444 1HG GLU 62 1HG GLU 62 58.159 118.448 79.172 445 2HG GLU 62 2HG GLU 62 59.067 119.943 79.393 446 H GLN 63 H GLN 63 60.840 117.327 80.834 447 HA GLN 63 HA GLN 63 59.623 114.628 80.381 448 1HB GLN 63 1HB GLN 63 61.306 115.902 82.549 449 2HB GLN 63 2HB GLN 63 60.623 114.281 82.683 450 1HG GLN 63 1HG GLN 63 61.797 113.609 80.620 451 2HG GLN 63 2HG GLN 63 62.483 115.230 80.483 452 1HE2 GLN 63 1HE2 GLN 63 63.704 112.417 81.103 453 2HE2 GLN 63 2HE2 GLN 63 64.673 112.711 82.466 454 H VAL 64 H VAL 64 57.617 114.192 81.225 455 HA VAL 64 HA VAL 64 56.470 116.105 83.235 456 HB VAL 64 HB VAL 64 55.125 114.743 80.871 457 1HG1 VAL 64 1HG1 VAL 64 54.039 116.763 82.860 458 2HG1 VAL 64 2HG1 VAL 64 53.624 115.049 82.823 459 3HG1 VAL 64 3HG1 VAL 64 53.165 116.096 81.480 460 1HG2 VAL 64 1HG2 VAL 64 54.958 117.015 79.951 461 2HG2 VAL 64 2HG2 VAL 64 56.647 116.612 80.256 462 3HG2 VAL 64 3HG2 VAL 64 55.776 117.667 81.371 463 H ASP 65 H ASP 65 55.710 115.130 85.034 464 HA ASP 65 HA ASP 65 55.261 112.157 84.994 465 1HB ASP 65 1HB ASP 65 57.344 113.025 86.128 466 2HB ASP 65 2HB ASP 65 56.299 113.894 87.251 467 H GLY 66 H GLY 66 53.204 111.598 85.568 468 1HA GLY 66 1HA GLY 66 51.739 113.230 87.551 469 2HA GLY 66 2HA GLY 66 50.988 113.053 85.963 470 H GLU 67 H GLU 67 50.141 112.000 88.648 471 HA GLU 67 HA GLU 67 50.537 109.126 88.660 472 1HB GLU 67 1HB GLU 67 48.668 111.092 89.991 473 2HB GLU 67 2HB GLU 67 48.513 109.356 90.267 474 1HG GLU 67 1HG GLU 67 49.943 110.044 92.005 475 2HG GLU 67 2HG GLU 67 51.062 109.439 90.784 476 H GLY 68 H GLY 68 48.891 107.516 88.154 477 1HA GLY 68 1HA GLY 68 47.388 106.534 86.656 478 2HA GLY 68 2HA GLY 68 46.349 107.880 87.108 479 H VAL 69 H VAL 69 45.668 107.412 84.785 480 HA VAL 69 HA VAL 69 47.235 109.161 82.911 481 HB VAL 69 HB VAL 69 46.431 107.550 81.120 482 1HG1 VAL 69 1HG1 VAL 69 48.400 106.878 83.265 483 2HG1 VAL 69 2HG1 VAL 69 48.675 107.243 81.562 484 3HG1 VAL 69 3HG1 VAL 69 48.055 105.661 82.035 485 1HG2 VAL 69 1HG2 VAL 69 45.877 105.740 83.494 486 2HG2 VAL 69 2HG2 VAL 69 45.687 105.333 81.788 487 3HG2 VAL 69 3HG2 VAL 69 44.622 106.523 82.535 488 H VAL 70 H VAL 70 46.056 110.772 82.165 489 HA VAL 70 HA VAL 70 44.248 112.242 82.002 490 HB VAL 70 HB VAL 70 42.629 111.447 80.355 491 1HG1 VAL 70 1HG1 VAL 70 44.969 109.860 79.478 492 2HG1 VAL 70 2HG1 VAL 70 45.309 111.521 79.965 493 3HG1 VAL 70 3HG1 VAL 70 44.145 111.200 78.680 494 1HG2 VAL 70 1HG2 VAL 70 42.180 109.261 81.538 495 2HG2 VAL 70 2HG2 VAL 70 43.678 108.647 80.839 496 3HG2 VAL 70 3HG2 VAL 70 42.345 109.126 79.790 497 H GLY 71 H GLY 71 44.312 110.902 84.531 498 1HA GLY 71 1HA GLY 71 42.934 111.134 86.432 499 2HA GLY 71 2HA GLY 71 41.571 111.459 85.375 500 H GLU 72 H GLU 72 43.338 108.518 84.699 501 HA GLU 72 HA GLU 72 41.474 106.949 86.416 502 1HB GLU 72 1HB GLU 72 40.677 105.663 84.452 503 2HB GLU 72 2HB GLU 72 40.259 107.372 84.345 504 1HG GLU 72 1HG GLU 72 42.019 107.794 82.791 505 2HG GLU 72 2HG GLU 72 42.736 106.209 83.064 506 H GLN 73 H GLN 73 42.067 104.821 86.783 507 HA GLN 73 HA GLN 73 44.861 103.997 85.984 508 1HB GLN 73 1HB GLN 73 43.130 103.565 88.442 509 2HB GLN 73 2HB GLN 73 44.651 102.714 88.168 510 1HG GLN 73 1HG GLN 73 45.899 104.766 88.175 511 2HG GLN 73 2HG GLN 73 44.423 105.732 88.143 512 1HE2 GLN 73 1HE2 GLN 73 44.557 106.770 90.184 513 2HE2 GLN 73 2HE2 GLN 73 44.625 105.933 91.659 514 HA PRO 74 HA PRO 74 41.528 101.249 84.092 515 1HB PRO 74 1HB PRO 74 42.987 100.598 81.876 516 2HB PRO 74 2HB PRO 74 41.937 102.026 81.968 517 1HG PRO 74 1HG PRO 74 44.890 101.827 82.289 518 2HG PRO 74 2HG PRO 74 43.926 103.052 81.449 519 1HD PRO 74 1HD PRO 74 44.971 103.453 83.909 520 2HD PRO 74 2HD PRO 74 43.447 104.196 83.377 521 H TRP 75 H TRP 75 41.479 99.046 84.325 522 HA TRP 75 HA TRP 75 43.959 97.673 85.271 523 1HB TRP 75 1HB TRP 75 41.646 97.857 86.507 524 2HB TRP 75 2HB TRP 75 41.139 96.609 85.368 525 HD1 TRP 75 HD1 TRP 75 43.929 97.238 87.966 526 HE1 TRP 75 HE1 TRP 75 44.619 94.967 88.971 527 HE3 TRP 75 HE3 TRP 75 41.024 94.113 85.161 528 HZ2 TRP 75 HZ2 TRP 75 44.018 92.192 88.632 529 HZ3 TRP 75 HZ3 TRP 75 41.100 91.662 85.525 530 HH2 TRP 75 HH2 TRP 75 42.593 90.699 87.253 531 H LEU 76 H LEU 76 44.623 97.603 82.904 532 HA LEU 76 HA LEU 76 43.141 96.269 80.882 533 1HB LEU 76 1HB LEU 76 45.949 97.051 81.429 534 2HB LEU 76 2HB LEU 76 45.726 95.804 80.200 535 HG LEU 76 HG LEU 76 44.301 98.483 80.226 536 1HD1 LEU 76 1HD1 LEU 76 46.269 97.697 78.129 537 2HD1 LEU 76 2HD1 LEU 76 46.911 98.192 79.695 538 3HD1 LEU 76 3HD1 LEU 76 45.892 99.295 78.772 539 1HD2 LEU 76 1HD2 LEU 76 44.113 96.006 78.584 540 2HD2 LEU 76 2HD2 LEU 76 44.092 97.532 77.702 541 3HD2 LEU 76 3HD2 LEU 76 42.879 97.214 78.939 542 H ARG 77 H ARG 77 42.440 94.211 80.892 543 HA ARG 77 HA ARG 77 43.804 92.119 82.480 544 1HB ARG 77 1HB ARG 77 41.231 92.490 80.973 545 2HB ARG 77 2HB ARG 77 41.777 90.848 81.318 546 1HG ARG 77 1HG ARG 77 41.805 91.270 83.686 547 2HG ARG 77 2HG ARG 77 41.546 92.997 83.438 548 1HD ARG 77 1HD ARG 77 39.413 92.003 84.069 549 2HD ARG 77 2HD ARG 77 39.326 92.405 82.343 550 HE ARG 77 HE ARG 77 40.358 89.714 82.891 551 1HH1 ARG 77 2HH1 ARG 77 38.708 90.863 80.514 552 2HH1 ARG 77 1HH1 ARG 77 37.243 89.958 80.701 553 1HH2 ARG 77 1HH2 ARG 77 37.995 88.901 83.917 554 2HH2 ARG 77 2HH2 ARG 77 36.839 88.847 82.628 555 HA PRO 78 HA PRO 78 46.158 90.433 79.176 556 1HB PRO 78 1HB PRO 78 45.511 87.773 79.111 557 2HB PRO 78 2HB PRO 78 46.589 88.480 80.332 558 1HG PRO 78 1HG PRO 78 43.704 87.776 80.535 559 2HG PRO 78 2HG PRO 78 45.004 87.563 81.718 560 1HD PRO 78 1HD PRO 78 43.202 89.576 81.875 561 2HD PRO 78 2HD PRO 78 44.873 89.729 82.460 562 H GLY 79 H GLY 79 45.788 90.615 77.037 563 1HA GLY 79 1HA GLY 79 44.757 90.116 74.932 564 2HA GLY 79 2HA GLY 79 43.405 89.391 75.795 565 H GLU 80 H GLU 80 43.403 92.021 77.512 566 HA GLU 80 HA GLU 80 41.505 93.442 75.740 567 1HB GLU 80 1HB GLU 80 42.328 93.561 78.644 568 2HB GLU 80 2HB GLU 80 41.304 94.813 77.942 569 1HG GLU 80 1HG GLU 80 39.765 92.967 77.137 570 2HG GLU 80 2HG GLU 80 40.718 91.846 78.109 571 H ALA 81 H ALA 81 41.650 95.877 75.651 572 HA ALA 81 HA ALA 81 44.428 96.928 75.826 573 1HB ALA 81 1HB ALA 81 44.108 97.799 73.469 574 2HB ALA 81 2HB ALA 81 42.644 96.820 73.377 575 3HB ALA 81 3HB ALA 81 44.212 96.042 73.583 576 H PHE 82 H PHE 82 44.494 99.184 76.134 577 HA PHE 82 HA PHE 82 41.851 100.543 76.549 578 1HB PHE 82 1HB PHE 82 43.154 100.146 78.597 579 2HB PHE 82 2HB PHE 82 44.564 100.914 77.870 580 HD1 PHE 82 HD1 PHE 82 44.891 103.233 78.081 581 HD2 PHE 82 HD2 PHE 82 40.992 101.572 78.779 582 HE1 PHE 82 HE1 PHE 82 44.085 105.449 78.846 583 HE2 PHE 82 HE2 PHE 82 40.186 103.788 79.545 584 HZ PHE 82 HZ PHE 82 41.732 105.727 79.576 585 H HIS 83 H HIS 83 41.597 102.575 75.502 586 HA HIS 83 HA HIS 83 43.964 103.797 74.178 587 1HB HIS 83 1HB HIS 83 42.746 103.788 72.010 588 2HB HIS 83 2HB HIS 83 43.054 102.156 72.597 589 HD1 HIS 83 HD1 HIS 83 40.267 104.710 72.330 590 HD2 HIS 83 HD2 HIS 83 40.747 100.647 73.127 591 HE1 HIS 83 HE1 HIS 83 37.941 103.709 72.374 592 H TYR 84 H TYR 84 43.781 106.027 73.981 593 HA TYR 84 HA TYR 84 41.151 107.328 74.182 594 1HB TYR 84 1HB TYR 84 41.659 108.533 76.224 595 2HB TYR 84 2HB TYR 84 41.871 106.815 76.530 596 HD1 TYR 84 HD1 TYR 84 43.535 110.063 76.205 597 HD2 TYR 84 HD2 TYR 84 44.131 105.851 76.789 598 HE1 TYR 84 HE1 TYR 84 45.845 110.499 76.990 599 HE2 TYR 84 HE2 TYR 84 46.444 106.286 77.569 600 HH TYR 84 HH TYR 84 47.550 108.754 78.729 601 H THR 85 H THR 85 41.367 109.715 73.816 602 HA THR 85 HA THR 85 43.631 110.243 71.953 603 HB THR 85 HB THR 85 41.033 111.726 72.461 604 HG1 THR 85 HG1 THR 85 40.165 110.421 71.033 605 1HG2 THR 85 1HG2 THR 85 42.976 111.838 70.137 606 2HG2 THR 85 2HG2 THR 85 42.817 113.073 71.386 607 3HG2 THR 85 3HG2 THR 85 41.477 112.757 70.283 608 H SER 86 H SER 86 45.163 111.786 72.368 609 HA SER 86 HA SER 86 44.792 113.529 74.783 610 1HB SER 86 1HB SER 86 46.365 111.815 75.278 611 2HB SER 86 2HB SER 86 47.161 111.994 73.716 612 HG SER 86 HG SER 86 47.266 113.615 76.003 613 H GLY 87 H GLY 87 46.226 115.602 74.580 614 1HA GLY 87 1HA GLY 87 46.737 116.318 71.727 615 2HA GLY 87 2HA GLY 87 45.826 117.412 72.764 616 H VAL 88 H VAL 88 48.699 117.224 71.427 617 HA VAL 88 HA VAL 88 50.116 118.499 73.747 618 HB VAL 88 HB VAL 88 51.107 116.425 71.756 619 1HG1 VAL 88 1HG1 VAL 88 52.643 118.159 73.711 620 2HG1 VAL 88 2HG1 VAL 88 52.907 118.004 71.975 621 3HG1 VAL 88 3HG1 VAL 88 53.292 116.659 73.048 622 1HG2 VAL 88 1HG2 VAL 88 49.850 115.987 74.092 623 2HG2 VAL 88 2HG2 VAL 88 51.484 116.224 74.708 624 3HG2 VAL 88 3HG2 VAL 88 51.163 114.955 73.527 625 H LEU 89 H LEU 89 51.427 120.275 73.149 626 HA LEU 89 HA LEU 89 51.035 121.243 70.345 627 1HB LEU 89 1HB LEU 89 50.062 122.537 72.247 628 2HB LEU 89 2HB LEU 89 51.686 122.742 72.905 629 HG LEU 89 HG LEU 89 52.268 123.715 70.564 630 1HD1 LEU 89 1HD1 LEU 89 49.243 123.826 70.591 631 2HD1 LEU 89 2HD1 LEU 89 50.283 123.119 69.354 632 3HD1 LEU 89 3HD1 LEU 89 50.232 124.868 69.568 633 1HD2 LEU 89 1HD2 LEU 89 51.792 125.905 71.356 634 2HD2 LEU 89 2HD2 LEU 89 51.963 124.931 72.817 635 3HD2 LEU 89 3HD2 LEU 89 50.358 125.363 72.228 636 H LEU 90 H LEU 90 52.863 121.901 69.159 637 HA LEU 90 HA LEU 90 55.527 121.438 70.462 638 1HB LEU 90 1HB LEU 90 54.306 120.050 68.396 639 2HB LEU 90 2HB LEU 90 55.362 121.169 67.534 640 HG LEU 90 HG LEU 90 56.427 119.632 69.887 641 1HD1 LEU 90 1HD1 LEU 90 55.237 118.157 68.063 642 2HD1 LEU 90 2HD1 LEU 90 56.843 117.707 68.634 643 3HD1 LEU 90 3HD1 LEU 90 56.659 118.547 67.096 644 1HD2 LEU 90 1HD2 LEU 90 58.522 119.846 68.529 645 2HD2 LEU 90 2HD2 LEU 90 57.811 121.406 68.945 646 3HD2 LEU 90 3HD2 LEU 90 57.604 120.748 67.322 647 H GLU 91 H GLU 91 57.159 123.008 69.987 648 HA GLU 91 HA GLU 91 56.225 125.633 69.114 649 1HB GLU 91 1HB GLU 91 58.964 124.522 69.809 650 2HB GLU 91 2HB GLU 91 58.580 126.234 69.641 651 1HG GLU 91 1HG GLU 91 56.926 126.044 71.465 652 2HG GLU 91 2HG GLU 91 57.312 124.332 71.635 653 H THR 92 H THR 92 57.945 122.945 67.641 654 HA THR 92 HA THR 92 58.278 124.586 65.152 655 HB THR 92 HB THR 92 59.978 122.262 66.117 656 HG1 THR 92 HG1 THR 92 60.530 125.037 66.258 657 1HG2 THR 92 1HG2 THR 92 60.077 124.186 63.821 658 2HG2 THR 92 2HG2 THR 92 60.414 122.455 63.843 659 3HG2 THR 92 3HG2 THR 92 61.592 123.590 64.500 660 H GLU 93 H GLU 93 58.399 123.080 63.157 661 HA GLU 93 HA GLU 93 56.049 121.313 63.197 662 1HB GLU 93 1HB GLU 93 56.754 123.070 61.452 663 2HB GLU 93 2HB GLU 93 57.938 121.879 60.910 664 1HG GLU 93 1HG GLU 93 56.127 120.240 60.546 665 2HG GLU 93 2HG GLU 93 54.943 121.429 61.085 666 H GLN 94 H GLN 94 59.038 120.621 64.260 667 HA GLN 94 HA GLN 94 58.930 117.856 63.170 668 1HB GLN 94 1HB GLN 94 61.275 119.768 63.241 669 2HB GLN 94 2HB GLN 94 61.469 118.034 62.982 670 1HG GLN 94 1HG GLN 94 59.979 118.156 61.018 671 2HG GLN 94 2HG GLN 94 59.787 119.890 61.272 672 1HE2 GLN 94 1HE2 GLN 94 61.186 118.184 59.058 673 2HE2 GLN 94 2HE2 GLN 94 62.708 118.922 58.907 674 H GLY 95 H GLY 95 59.608 116.271 64.780 675 1HA GLY 95 1HA GLY 95 61.173 116.893 67.070 676 2HA GLY 95 2HA GLY 95 59.487 117.106 67.521 677 H GLN 96 H GLN 96 61.220 115.239 68.682 678 HA GLN 96 HA GLN 96 60.088 112.590 67.785 679 1HB GLN 96 1HB GLN 96 62.658 113.212 69.280 680 2HB GLN 96 2HB GLN 96 62.158 111.637 68.667 681 1HG GLN 96 1HG GLN 96 62.069 112.826 66.350 682 2HG GLN 96 2HG GLN 96 63.067 114.056 67.127 683 1HE2 GLN 96 1HE2 GLN 96 63.655 111.801 65.035 684 2HE2 GLN 96 2HE2 GLN 96 65.049 111.058 65.657 685 H MET 97 H MET 97 58.761 111.633 69.324 686 HA MET 97 HA MET 97 59.014 112.580 72.164 687 1HB MET 97 1HB MET 97 56.611 111.947 70.434 688 2HB MET 97 2HB MET 97 56.501 112.168 72.180 689 1HG MET 97 1HG MET 97 57.469 114.427 71.956 690 2HG MET 97 2HG MET 97 57.579 114.208 70.211 691 1HE MET 97 1HE MET 97 55.567 113.643 73.147 692 2HE MET 97 2HE MET 97 54.054 113.108 72.421 693 3HE MET 97 3HE MET 97 54.195 114.755 73.030 694 H GLN 98 H GLN 98 59.734 110.887 73.433 695 HA GLN 98 HA GLN 98 58.666 108.128 72.902 696 1HB GLN 98 1HB GLN 98 61.056 108.540 72.182 697 2HB GLN 98 2HB GLN 98 61.431 108.952 73.854 698 1HG GLN 98 1HG GLN 98 60.679 106.717 74.581 699 2HG GLN 98 2HG GLN 98 60.305 106.300 72.909 700 1HE2 GLN 98 1HE2 GLN 98 62.282 104.897 74.541 701 2HE2 GLN 98 2HE2 GLN 98 63.794 105.131 73.806 702 H GLY 99 H GLY 99 58.234 106.941 74.896 703 1HA GLY 99 1HA GLY 99 58.937 108.116 77.473 704 2HA GLY 99 2HA GLY 99 57.235 108.346 77.080 705 H HIS 100 H HIS 100 57.381 106.946 79.224 706 HA HIS 100 HA HIS 100 56.901 104.137 78.362 707 1HB HIS 100 1HB HIS 100 58.204 103.347 80.315 708 2HB HIS 100 2HB HIS 100 59.199 104.283 79.204 709 HD1 HIS 100 HD1 HIS 100 59.932 106.668 79.971 710 HD2 HIS 100 HD2 HIS 100 57.795 104.542 82.850 711 HE1 HIS 100 HE1 HIS 100 60.266 107.892 82.160 712 H TYR 101 H TYR 101 55.569 102.935 79.907 713 HA TYR 101 HA TYR 101 53.803 104.724 81.539 714 1HB TYR 101 1HB TYR 101 53.389 102.298 79.809 715 2HB TYR 101 2HB TYR 101 52.247 102.621 81.106 716 HD1 TYR 101 HD1 TYR 101 52.126 105.605 81.079 717 HD2 TYR 101 HD2 TYR 101 52.228 102.779 77.841 718 HE1 TYR 101 HE1 TYR 101 50.950 107.228 79.623 719 HE2 TYR 101 HE2 TYR 101 51.051 104.405 76.388 720 HH TYR 101 HH TYR 101 49.498 107.143 77.584 721 H ASP 102 H ASP 102 53.785 104.263 83.780 722 HA ASP 102 HA ASP 102 55.252 101.881 84.754 723 1HB ASP 102 1HB ASP 102 55.406 104.218 85.754 724 2HB ASP 102 2HB ASP 102 53.720 104.049 86.242 725 H MET 103 H MET 103 54.268 100.018 85.039 726 HA MET 103 HA MET 103 51.292 99.956 85.502 727 1HB MET 103 1HB MET 103 53.109 98.060 83.985 728 2HB MET 103 2HB MET 103 51.366 97.868 84.182 729 1HG MET 103 1HG MET 103 51.244 100.276 83.162 730 2HG MET 103 2HG MET 103 52.873 99.923 82.584 731 1HE MET 103 1HE MET 103 49.296 99.243 82.730 732 2HE MET 103 2HE MET 103 49.552 97.509 82.907 733 3HE MET 103 3HE MET 103 48.878 98.144 81.408 734 H VAL 104 H VAL 104 50.571 98.053 86.738 735 HA VAL 104 HA VAL 104 52.682 96.744 88.400 736 HB VAL 104 HB VAL 104 51.118 97.184 90.380 737 1HG1 VAL 104 1HG1 VAL 104 52.106 99.326 90.815 738 2HG1 VAL 104 2HG1 VAL 104 52.291 99.657 89.093 739 3HG1 VAL 104 3HG1 VAL 104 53.268 98.406 89.861 740 1HG2 VAL 104 1HG2 VAL 104 50.029 99.364 88.576 741 2HG2 VAL 104 2HG2 VAL 104 49.513 98.966 90.214 742 3HG2 VAL 104 3HG2 VAL 104 49.168 97.857 88.889 743 H ALA 105 H ALA 105 52.283 94.569 88.539 744 HA ALA 105 HA ALA 105 49.919 93.349 87.335 745 1HB ALA 105 1HB ALA 105 51.065 91.327 87.843 746 2HB ALA 105 2HB ALA 105 51.926 92.064 89.195 747 3HB ALA 105 3HB ALA 105 52.352 92.495 87.539 748 H ASP 106 H ASP 106 48.530 91.801 88.597 749 HA ASP 106 HA ASP 106 47.254 93.123 90.811 750 1HB ASP 106 1HB ASP 106 46.286 91.471 89.146 751 2HB ASP 106 2HB ASP 106 47.124 90.196 90.029 752 H ASP 107 H ASP 107 49.794 90.672 90.630 753 HA ASP 107 HA ASP 107 49.657 89.909 93.432 754 1HB ASP 107 1HB ASP 107 51.682 89.578 91.207 755 2HB ASP 107 2HB ASP 107 51.888 88.858 92.804 756 H GLY 108 H GLY 108 50.768 92.769 91.969 757 1HA GLY 108 1HA GLY 108 51.627 94.577 93.345 758 2HA GLY 108 2HA GLY 108 52.382 93.377 94.391 759 H THR 109 H THR 109 53.123 92.121 91.502 760 HA THR 109 HA THR 109 55.866 92.821 91.530 761 HB THR 109 HB THR 109 54.187 92.018 89.134 762 HG1 THR 109 HG1 THR 109 55.275 90.490 91.259 763 1HG2 THR 109 1HG2 THR 109 56.363 90.699 88.691 764 2HG2 THR 109 2HG2 THR 109 57.097 91.773 89.883 765 3HG2 THR 109 3HG2 THR 109 56.395 92.439 88.409 766 H GLU 110 H GLU 110 56.983 94.604 90.689 767 HA GLU 110 HA GLU 110 55.347 96.704 89.349 768 1HB GLU 110 1HB GLU 110 58.006 96.665 90.802 769 2HB GLU 110 2HB GLU 110 57.385 98.102 89.987 770 1HG GLU 110 1HG GLU 110 55.347 98.014 91.379 771 2HG GLU 110 2HG GLU 110 55.967 96.581 92.197 772 H PHE 111 H PHE 111 55.831 97.416 87.289 773 HA PHE 111 HA PHE 111 58.357 96.826 85.940 774 1HB PHE 111 1HB PHE 111 57.465 95.228 84.352 775 2HB PHE 111 2HB PHE 111 57.082 94.637 85.966 776 HD1 PHE 111 HD1 PHE 111 55.734 96.051 82.858 777 HD2 PHE 111 HD2 PHE 111 54.775 94.740 86.834 778 HE1 PHE 111 HE1 PHE 111 53.329 96.018 82.265 779 HE2 PHE 111 HE2 PHE 111 52.367 94.709 86.239 780 HZ PHE 111 HZ PHE 111 51.647 95.349 83.956 781 H ILE 112 H ILE 112 58.612 98.134 84.141 782 HA ILE 112 HA ILE 112 56.474 100.155 83.694 783 HB ILE 112 HB ILE 112 59.392 100.024 82.862 784 1HG1 ILE 112 1HG1 ILE 112 59.110 100.102 85.316 785 2HG1 ILE 112 2HG1 ILE 112 59.751 101.629 84.715 786 1HG2 ILE 112 1HG2 ILE 112 58.079 101.502 81.417 787 2HG2 ILE 112 2HG2 ILE 112 59.112 102.462 82.475 788 3HG2 ILE 112 3HG2 ILE 112 57.391 102.304 82.830 789 1HD1 ILE 112 1HD1 ILE 112 58.020 102.197 86.273 790 2HD1 ILE 112 2HD1 ILE 112 56.908 101.024 85.566 791 3HD1 ILE 112 3HD1 ILE 112 57.346 102.478 84.669 792 H ALA 113 H ALA 113 55.895 100.749 81.504 793 HA ALA 113 HA ALA 113 56.345 98.593 79.469 794 1HB ALA 113 1HB ALA 113 53.940 100.168 80.361 795 2HB ALA 113 2HB ALA 113 54.075 98.436 80.054 796 3HB ALA 113 3HB ALA 113 54.011 99.569 78.705 797 HA PRO 114 HA PRO 114 58.268 102.411 77.832 798 1HB PRO 114 1HB PRO 114 59.582 101.177 75.790 799 2HB PRO 114 2HB PRO 114 60.221 101.246 77.445 800 1HG PRO 114 1HG PRO 114 58.804 99.026 76.056 801 2HG PRO 114 2HG PRO 114 60.203 98.968 77.142 802 1HD PRO 114 1HD PRO 114 57.700 98.349 77.953 803 2HD PRO 114 2HD PRO 114 58.912 99.072 79.034 804 H ILE 115 H ILE 115 57.596 103.686 76.258 805 HA ILE 115 HA ILE 115 55.542 102.677 74.306 806 HB ILE 115 HB ILE 115 56.142 105.488 75.294 807 1HG1 ILE 115 1HG1 ILE 115 53.848 103.674 76.096 808 2HG1 ILE 115 2HG1 ILE 115 55.309 103.864 77.067 809 1HG2 ILE 115 1HG2 ILE 115 53.751 104.352 73.820 810 2HG2 ILE 115 2HG2 ILE 115 55.031 105.311 73.076 811 3HG2 ILE 115 3HG2 ILE 115 53.983 106.034 74.295 812 1HD1 ILE 115 1HD1 ILE 115 54.831 106.410 76.902 813 2HD1 ILE 115 2HD1 ILE 115 53.833 105.450 77.993 814 3HD1 ILE 115 3HD1 ILE 115 53.207 105.923 76.413 815 H ALA 116 H ALA 116 56.233 102.532 72.238 816 HA ALA 116 HA ALA 116 58.790 103.050 71.248 817 1HB ALA 116 1HB ALA 116 56.186 103.299 69.720 818 2HB ALA 116 2HB ALA 116 56.892 101.760 70.212 819 3HB ALA 116 3HB ALA 116 57.750 102.800 69.075 820 H ALA 117 H ALA 117 59.770 104.793 70.141 821 HA ALA 117 HA ALA 117 58.688 107.471 70.753 822 1HB ALA 117 1HB ALA 117 61.089 106.630 71.067 823 2HB ALA 117 2HB ALA 117 60.917 108.169 70.224 824 3HB ALA 117 3HB ALA 117 61.234 106.695 69.311 825 H PHE 118 H PHE 118 57.458 108.532 69.263 826 HA PHE 118 HA PHE 118 57.696 107.759 66.378 827 1HB PHE 118 1HB PHE 118 55.386 108.703 66.238 828 2HB PHE 118 2HB PHE 118 55.494 107.381 67.396 829 HD1 PHE 118 HD1 PHE 118 55.174 107.747 69.756 830 HD2 PHE 118 HD2 PHE 118 55.277 111.062 67.027 831 HE1 PHE 118 HE1 PHE 118 54.313 109.240 71.538 832 HE2 PHE 118 HE2 PHE 118 54.415 112.555 68.810 833 HZ PHE 118 HZ PHE 118 53.933 111.645 71.065 834 H VAL 119 H VAL 119 57.398 109.671 64.846 835 HA VAL 119 HA VAL 119 58.700 112.106 66.012 836 HB VAL 119 HB VAL 119 58.779 110.923 63.212 837 1HG1 VAL 119 1HG1 VAL 119 60.039 113.369 64.462 838 2HG1 VAL 119 2HG1 VAL 119 59.096 113.265 62.975 839 3HG1 VAL 119 3HG1 VAL 119 60.729 112.600 63.032 840 1HG2 VAL 119 1HG2 VAL 119 60.009 109.584 64.891 841 2HG2 VAL 119 2HG2 VAL 119 60.885 111.028 65.398 842 3HG2 VAL 119 3HG2 VAL 119 61.121 110.379 63.776 843 H LEU 120 H LEU 120 57.999 114.153 65.162 844 HA LEU 120 HA LEU 120 55.212 114.115 64.046 845 1HB LEU 120 1HB LEU 120 56.695 116.025 65.881 846 2HB LEU 120 2HB LEU 120 55.125 116.399 65.176 847 HG LEU 120 HG LEU 120 54.283 114.225 66.212 848 1HD1 LEU 120 1HD1 LEU 120 56.018 112.905 66.905 849 2HD1 LEU 120 2HD1 LEU 120 55.861 113.851 68.385 850 3HD1 LEU 120 3HD1 LEU 120 57.085 114.278 67.190 851 1HD2 LEU 120 1HD2 LEU 120 55.253 116.034 68.393 852 2HD2 LEU 120 2HD2 LEU 120 53.644 115.361 68.130 853 3HD2 LEU 120 3HD2 LEU 120 54.207 116.711 67.145 854 H SER 121 H SER 121 54.940 115.105 62.079 855 HA SER 121 HA SER 121 56.833 117.191 61.160 856 1HB SER 121 1HB SER 121 57.559 114.684 60.678 857 2HB SER 121 2HB SER 121 56.376 114.819 59.381 858 HG SER 121 HG SER 121 58.720 115.509 59.062 Start of MODEL 12 1 H ARG 6 1H ARG 6 56.208 86.659 81.920 2 HA ARG 6 HA ARG 6 53.250 86.240 81.963 3 1HB ARG 6 1HB ARG 6 54.774 85.214 83.690 4 2HB ARG 6 2HB ARG 6 55.209 86.844 84.202 5 1HG ARG 6 1HG ARG 6 52.799 87.303 84.659 6 2HG ARG 6 2HG ARG 6 52.434 85.627 84.254 7 1HD ARG 6 1HD ARG 6 54.427 86.399 86.409 8 2HD ARG 6 2HD ARG 6 52.719 86.044 86.739 9 HE ARG 6 HE ARG 6 53.284 83.845 85.381 10 1HH1 ARG 6 1HH2 ARG 6 56.245 84.589 85.518 11 2HH1 ARG 6 2HH2 ARG 6 56.762 83.643 86.874 12 1HH2 ARG 6 2HH1 ARG 6 53.543 83.040 88.015 13 2HH2 ARG 6 1HH1 ARG 6 55.232 82.766 88.287 14 H TYR 7 H TYR 7 55.738 88.715 82.103 15 HA TYR 7 HA TYR 7 53.621 90.798 82.538 16 1HB TYR 7 1HB TYR 7 56.611 90.814 83.074 17 2HB TYR 7 2HB TYR 7 55.516 92.156 83.407 18 HD1 TYR 7 HD1 TYR 7 53.245 91.251 84.695 19 HD2 TYR 7 HD2 TYR 7 57.182 89.552 84.940 20 HE1 TYR 7 HE1 TYR 7 52.672 90.240 86.886 21 HE2 TYR 7 HE2 TYR 7 56.610 88.543 87.132 22 HH TYR 7 HH TYR 7 54.114 87.831 88.230 23 H ARG 8 H ARG 8 53.064 91.484 80.494 24 HA ARG 8 HA ARG 8 55.171 92.692 78.783 25 1HB ARG 8 1HB ARG 8 54.868 90.187 78.285 26 2HB ARG 8 2HB ARG 8 53.265 90.615 77.688 27 1HG ARG 8 1HG ARG 8 54.145 91.967 75.954 28 2HG ARG 8 2HG ARG 8 55.739 92.037 76.707 29 1HD ARG 8 1HD ARG 8 55.658 89.404 76.400 30 2HD ARG 8 2HD ARG 8 54.495 89.813 75.124 31 HE ARG 8 HE ARG 8 56.224 91.185 74.059 32 1HH1 ARG 8 2HH1 ARG 8 57.669 91.420 76.845 33 2HH1 ARG 8 1HH1 ARG 8 59.146 90.597 76.467 34 1HH2 ARG 8 1HH2 ARG 8 57.932 89.210 73.529 35 2HH2 ARG 8 2HH2 ARG 8 59.295 89.346 74.590 36 H VAL 9 H VAL 9 54.398 94.482 77.786 37 HA VAL 9 HA VAL 9 51.508 94.826 77.185 38 HB VAL 9 HB VAL 9 53.094 96.591 79.090 39 1HG1 VAL 9 1HG1 VAL 9 50.445 97.343 79.258 40 2HG1 VAL 9 2HG1 VAL 9 50.619 96.999 77.537 41 3HG1 VAL 9 3HG1 VAL 9 51.670 98.186 78.310 42 1HG2 VAL 9 1HG2 VAL 9 50.851 94.600 79.481 43 2HG2 VAL 9 2HG2 VAL 9 51.179 95.873 80.656 44 3HG2 VAL 9 3HG2 VAL 9 52.410 94.660 80.304 45 H GLU 10 H GLU 10 51.583 95.509 75.117 46 HA GLU 10 HA GLU 10 53.782 97.343 74.174 47 1HB GLU 10 1HB GLU 10 53.218 94.967 73.212 48 2HB GLU 10 2HB GLU 10 51.818 95.780 72.511 49 1HG GLU 10 1HG GLU 10 54.633 96.832 72.177 50 2HG GLU 10 2HG GLU 10 53.907 95.695 71.041 51 H VAL 11 H VAL 11 53.260 99.362 73.732 52 HA VAL 11 HA VAL 11 50.362 100.090 73.418 53 HB VAL 11 HB VAL 11 52.714 101.680 74.507 54 1HG1 VAL 11 1HG1 VAL 11 49.885 102.484 74.968 55 2HG1 VAL 11 2HG1 VAL 11 50.526 102.751 73.348 56 3HG1 VAL 11 3HG1 VAL 11 51.316 103.487 74.742 57 1HG2 VAL 11 1HG2 VAL 11 50.588 99.984 75.756 58 2HG2 VAL 11 2HG2 VAL 11 51.074 101.455 76.600 59 3HG2 VAL 11 3HG2 VAL 11 52.268 100.208 76.240 60 H GLU 12 H GLU 12 49.823 101.315 71.589 61 HA GLU 12 HA GLU 12 52.067 102.086 69.740 62 1HB GLU 12 1HB GLU 12 50.719 100.113 69.047 63 2HB GLU 12 2HB GLU 12 49.260 101.098 69.142 64 1HG GLU 12 1HG GLU 12 50.171 102.623 67.427 65 2HG GLU 12 2HG GLU 12 51.630 101.639 67.328 66 H VAL 13 H VAL 13 52.000 104.173 68.975 67 HA VAL 13 HA VAL 13 49.564 105.832 69.562 68 HB VAL 13 HB VAL 13 52.502 106.552 69.851 69 1HG1 VAL 13 1HG1 VAL 13 51.335 108.541 69.273 70 2HG1 VAL 13 2HG1 VAL 13 51.450 108.578 71.033 71 3HG1 VAL 13 3HG1 VAL 13 49.939 108.101 70.257 72 1HG2 VAL 13 1HG2 VAL 13 51.573 106.831 72.322 73 2HG2 VAL 13 2HG2 VAL 13 52.104 105.254 71.736 74 3HG2 VAL 13 3HG2 VAL 13 50.385 105.649 71.772 75 H SER 14 H SER 14 48.880 107.111 67.907 76 HA SER 14 HA SER 14 50.634 107.297 65.485 77 1HB SER 14 1HB SER 14 48.783 105.693 65.230 78 2HB SER 14 2HB SER 14 47.628 106.931 65.714 79 HG SER 14 HG SER 14 47.585 107.206 63.605 80 HA PRO 15 HA PRO 15 49.569 111.612 66.459 81 1HB PRO 15 1HB PRO 15 51.772 112.744 65.341 82 2HB PRO 15 2HB PRO 15 51.791 112.026 66.964 83 1HG PRO 15 1HG PRO 15 52.761 110.902 64.387 84 2HG PRO 15 2HG PRO 15 53.475 110.802 66.004 85 1HD PRO 15 1HD PRO 15 52.078 108.770 64.867 86 2HD PRO 15 2HD PRO 15 52.162 109.036 66.622 87 H ARG 16 H ARG 16 49.217 113.512 65.083 88 HA ARG 16 HA ARG 16 49.240 113.193 62.152 89 1HB ARG 16 1HB ARG 16 46.760 113.408 62.016 90 2HB ARG 16 2HB ARG 16 47.241 111.924 62.835 91 1HG ARG 16 1HG ARG 16 46.922 113.065 65.024 92 2HG ARG 16 2HG ARG 16 46.350 114.496 64.170 93 1HD ARG 16 1HD ARG 16 45.072 111.782 63.753 94 2HD ARG 16 2HD ARG 16 44.522 112.902 65.016 95 HE ARG 16 HE ARG 16 44.813 114.129 62.365 96 1HH1 ARG 16 2HH1 ARG 16 42.866 114.102 64.994 97 2HH1 ARG 16 1HH1 ARG 16 41.360 113.980 64.149 98 1HH2 ARG 16 1HH2 ARG 16 42.830 113.272 61.088 99 2HH2 ARG 16 2HH2 ARG 16 41.339 113.509 61.937 100 H PHE 17 H PHE 17 49.589 115.153 61.303 101 HA PHE 17 HA PHE 17 49.922 117.524 62.853 102 1HB PHE 17 1HB PHE 17 50.999 116.967 60.687 103 2HB PHE 17 2HB PHE 17 49.447 117.184 59.878 104 HD1 PHE 17 HD1 PHE 17 51.905 118.958 62.069 105 HD2 PHE 17 HD2 PHE 17 48.770 119.320 59.155 106 HE1 PHE 17 HE1 PHE 17 52.327 121.398 61.918 107 HE2 PHE 17 HE2 PHE 17 49.193 121.759 59.005 108 HZ PHE 17 HZ PHE 17 50.970 122.798 60.386 109 H LEU 18 H LEU 18 48.547 119.248 63.279 110 HA LEU 18 HA LEU 18 45.719 119.086 62.247 111 1HB LEU 18 1HB LEU 18 46.905 120.075 64.859 112 2HB LEU 18 2HB LEU 18 45.219 120.314 64.404 113 HG LEU 18 HG LEU 18 46.568 117.607 64.586 114 1HD1 LEU 18 1HD1 LEU 18 46.400 118.073 66.825 115 2HD1 LEU 18 2HD1 LEU 18 44.719 117.608 66.558 116 3HD1 LEU 18 3HD1 LEU 18 45.169 119.312 66.580 117 1HD2 LEU 18 1HD2 LEU 18 44.768 117.242 63.179 118 2HD2 LEU 18 2HD2 LEU 18 43.853 118.603 63.825 119 3HD2 LEU 18 3HD2 LEU 18 43.947 117.094 64.733 120 H ALA 19 H ALA 19 46.456 120.286 60.394 121 HA ALA 19 HA ALA 19 47.530 122.996 60.486 122 1HB ALA 19 1HB ALA 19 47.264 122.841 58.199 123 2HB ALA 19 2HB ALA 19 45.734 121.974 58.329 124 3HB ALA 19 3HB ALA 19 47.254 121.127 58.614 125 H HIS 20 H HIS 20 44.221 121.662 60.458 126 HA HIS 20 HA HIS 20 42.914 124.207 60.066 127 1HB HIS 20 1HB HIS 20 42.052 121.516 61.162 128 2HB HIS 20 2HB HIS 20 40.923 122.846 60.904 129 HD1 HIS 20 HD1 HIS 20 43.126 120.425 59.048 130 HD2 HIS 20 HD2 HIS 20 40.339 123.401 58.181 131 HE1 HIS 20 HE1 HIS 20 42.611 120.225 56.577 132 H GLN 21 H GLN 21 44.235 122.619 62.889 133 HA GLN 21 HA GLN 21 43.017 124.751 64.619 134 1HB GLN 21 1HB GLN 21 43.741 121.855 65.123 135 2HB GLN 21 2HB GLN 21 43.317 122.975 66.417 136 1HG GLN 21 1HG GLN 21 41.142 123.409 65.335 137 2HG GLN 21 2HG GLN 21 41.563 122.286 64.041 138 1HE2 GLN 21 1HE2 GLN 21 39.440 122.199 66.317 139 2HE2 GLN 21 2HE2 GLN 21 39.668 120.665 67.007 140 H SER 22 H SER 22 45.539 125.081 63.171 141 HA SER 22 HA SER 22 47.282 125.663 65.472 142 1HB SER 22 1HB SER 22 47.673 123.268 64.946 143 2HB SER 22 2HB SER 22 48.099 123.714 63.297 144 HG SER 22 HG SER 22 49.792 124.983 64.178 145 H THR 23 H THR 23 48.824 127.263 64.963 146 HA THR 23 HA THR 23 48.837 128.255 62.129 147 HB THR 23 HB THR 23 47.617 129.756 63.625 148 HG1 THR 23 HG1 THR 23 48.588 131.265 62.581 149 1HG2 THR 23 1HG2 THR 23 49.633 128.949 65.511 150 2HG2 THR 23 2HG2 THR 23 48.157 129.864 65.803 151 3HG2 THR 23 3HG2 THR 23 49.644 130.705 65.369 152 HA PRO 24 HA PRO 24 53.076 126.929 63.189 153 1HB PRO 24 1HB PRO 24 53.919 126.590 60.613 154 2HB PRO 24 2HB PRO 24 53.023 125.349 61.511 155 1HG PRO 24 1HG PRO 24 52.040 127.288 59.482 156 2HG PRO 24 2HG PRO 24 51.623 125.581 59.711 157 1HD PRO 24 1HD PRO 24 50.034 127.615 60.539 158 2HD PRO 24 2HD PRO 24 50.094 126.035 61.351 159 H ASP 25 H ASP 25 51.893 129.456 61.062 160 HA ASP 25 HA ASP 25 54.393 130.715 60.453 161 1HB ASP 25 1HB ASP 25 52.133 131.064 59.364 162 2HB ASP 25 2HB ASP 25 51.665 132.006 60.781 163 H GLU 26 H GLU 26 52.447 130.741 63.359 164 HA GLU 26 HA GLU 26 54.043 133.026 64.452 165 1HB GLU 26 1HB GLU 26 51.454 131.661 65.234 166 2HB GLU 26 2HB GLU 26 52.218 132.905 66.224 167 1HG GLU 26 1HG GLU 26 51.449 133.279 63.316 168 2HG GLU 26 2HG GLU 26 50.466 133.816 64.680 169 H GLY 27 H GLY 27 54.899 130.073 64.173 170 1HA GLY 27 1HA GLY 27 56.225 128.613 65.445 171 2HA GLY 27 2HA GLY 27 56.285 129.864 66.688 172 H ARG 28 H ARG 28 53.240 128.638 65.502 173 HA ARG 28 HA ARG 28 52.821 127.231 68.121 174 1HB ARG 28 1HB ARG 28 51.282 129.224 66.543 175 2HB ARG 28 2HB ARG 28 50.334 127.956 67.324 176 1HG ARG 28 1HG ARG 28 51.317 128.499 69.488 177 2HG ARG 28 2HG ARG 28 52.381 129.688 68.738 178 1HD ARG 28 1HD ARG 28 50.523 130.921 69.665 179 2HD ARG 28 2HD ARG 28 50.254 130.863 67.911 180 HE ARG 28 HE ARG 28 48.962 128.620 68.644 181 1HH1 ARG 28 1HH2 ARG 28 49.276 130.650 71.213 182 2HH1 ARG 28 2HH2 ARG 28 47.594 131.015 71.398 183 1HH2 ARG 28 2HH1 ARG 28 46.673 129.556 68.390 184 2HH2 ARG 28 1HH1 ARG 28 46.119 130.396 69.800 185 H TYR 29 H TYR 29 53.310 125.126 67.301 186 HA TYR 29 HA TYR 29 51.659 124.132 65.008 187 1HB TYR 29 1HB TYR 29 54.072 122.957 66.439 188 2HB TYR 29 2HB TYR 29 53.333 122.324 64.971 189 HD1 TYR 29 HD1 TYR 29 55.188 125.209 66.400 190 HD2 TYR 29 HD2 TYR 29 53.810 123.267 62.825 191 HE1 TYR 29 HE1 TYR 29 56.617 126.706 65.034 192 HE2 TYR 29 HE2 TYR 29 55.238 124.767 61.460 193 HH TYR 29 HH TYR 29 57.589 126.171 62.128 194 H ALA 30 H ALA 30 50.042 122.675 65.433 195 HA ALA 30 HA ALA 30 49.846 121.650 68.239 196 1HB ALA 30 1HB ALA 30 48.148 123.290 66.960 197 2HB ALA 30 2HB ALA 30 47.585 122.116 68.148 198 3HB ALA 30 3HB ALA 30 47.476 121.749 66.426 199 H PHE 31 H PHE 31 50.201 119.471 68.403 200 HA PHE 31 HA PHE 31 49.555 117.724 66.046 201 1HB PHE 31 1HB PHE 31 51.622 117.531 68.257 202 2HB PHE 31 2HB PHE 31 51.312 116.235 67.105 203 HD1 PHE 31 HD1 PHE 31 52.585 119.678 67.515 204 HD2 PHE 31 HD2 PHE 31 52.008 116.408 64.792 205 HE1 PHE 31 HE1 PHE 31 54.098 120.769 65.883 206 HE2 PHE 31 HE2 PHE 31 53.517 117.502 63.157 207 HZ PHE 31 HZ PHE 31 54.563 119.684 63.704 208 H ALA 32 H ALA 32 48.079 116.044 66.433 209 HA ALA 32 HA ALA 32 47.164 115.644 69.263 210 1HB ALA 32 1HB ALA 32 45.203 114.620 67.705 211 2HB ALA 32 2HB ALA 32 45.880 115.791 66.574 212 3HB ALA 32 3HB ALA 32 45.265 116.329 68.138 213 H TYR 33 H TYR 33 47.506 113.565 70.086 214 HA TYR 33 HA TYR 33 48.193 111.443 68.082 215 1HB TYR 33 1HB TYR 33 50.020 110.753 69.486 216 2HB TYR 33 2HB TYR 33 50.144 112.493 69.277 217 HD1 TYR 33 HD1 TYR 33 49.980 109.812 71.623 218 HD2 TYR 33 HD2 TYR 33 49.098 113.986 71.147 219 HE1 TYR 33 HE1 TYR 33 49.973 110.088 74.085 220 HE2 TYR 33 HE2 TYR 33 49.080 114.257 73.611 221 HH TYR 33 HH TYR 33 48.816 112.945 75.609 222 H SER 34 H SER 34 47.397 109.377 68.493 223 HA SER 34 HA SER 34 45.424 109.151 70.734 224 1HB SER 34 1HB SER 34 44.595 108.898 68.426 225 2HB SER 34 2HB SER 34 45.791 107.640 68.122 226 HG SER 34 HG SER 34 43.374 107.486 69.341 227 H ILE 35 H ILE 35 45.662 107.498 72.233 228 HA ILE 35 HA ILE 35 48.222 105.925 72.159 229 HB ILE 35 HB ILE 35 46.269 106.695 74.343 230 1HG1 ILE 35 1HG1 ILE 35 47.558 108.592 73.423 231 2HG1 ILE 35 2HG1 ILE 35 48.090 108.209 75.058 232 1HG2 ILE 35 1HG2 ILE 35 48.488 105.996 75.676 233 2HG2 ILE 35 2HG2 ILE 35 48.676 104.928 74.286 234 3HG2 ILE 35 3HG2 ILE 35 47.229 104.823 75.289 235 1HD1 ILE 35 1HD1 ILE 35 49.590 108.101 72.550 236 2HD1 ILE 35 2HD1 ILE 35 49.704 106.598 73.464 237 3HD1 ILE 35 3HD1 ILE 35 50.184 108.120 74.210 238 H ARG 36 H ARG 36 48.154 103.790 71.891 239 HA ARG 36 HA ARG 36 45.564 102.320 72.295 240 1HB ARG 36 1HB ARG 36 47.783 102.024 70.248 241 2HB ARG 36 2HB ARG 36 46.501 100.832 70.454 242 1HG ARG 36 1HG ARG 36 44.810 102.597 70.027 243 2HG ARG 36 2HG ARG 36 46.111 103.759 69.763 244 1HD ARG 36 1HD ARG 36 45.398 102.943 67.586 245 2HD ARG 36 2HD ARG 36 46.978 102.213 67.933 246 HE ARG 36 HE ARG 36 44.783 100.595 68.948 247 1HH1 ARG 36 1HH2 ARG 36 44.236 101.120 65.991 248 2HH1 ARG 36 2HH2 ARG 36 45.025 99.761 65.261 249 1HH2 ARG 36 2HH1 ARG 36 46.854 98.963 68.097 250 2HH2 ARG 36 1HH1 ARG 36 46.507 98.540 66.454 251 H ILE 37 H ILE 37 46.034 101.572 74.377 252 HA ILE 37 HA ILE 37 48.613 100.217 74.970 253 HB ILE 37 HB ILE 37 46.131 100.785 76.623 254 1HG1 ILE 37 1HG1 ILE 37 48.791 102.241 76.625 255 2HG1 ILE 37 2HG1 ILE 37 47.395 102.793 75.696 256 1HG2 ILE 37 1HG2 ILE 37 47.479 100.246 78.535 257 2HG2 ILE 37 2HG2 ILE 37 48.941 100.146 77.555 258 3HG2 ILE 37 3HG2 ILE 37 47.686 98.919 77.393 259 1HD1 ILE 37 1HD1 ILE 37 47.738 102.644 78.679 260 2HD1 ILE 37 2HD1 ILE 37 46.123 102.575 77.975 261 3HD1 ILE 37 3HD1 ILE 37 47.148 103.983 77.696 262 H GLN 38 H GLN 38 48.778 98.079 74.459 263 HA GLN 38 HA GLN 38 46.332 96.346 74.700 264 1HB GLN 38 1HB GLN 38 47.220 96.658 72.387 265 2HB GLN 38 2HB GLN 38 48.793 96.072 72.931 266 1HG GLN 38 1HG GLN 38 47.853 93.901 73.481 267 2HG GLN 38 2HG GLN 38 46.225 94.473 73.120 268 1HE2 GLN 38 1HE2 GLN 38 47.460 92.232 71.746 269 2HE2 GLN 38 2HE2 GLN 38 47.651 92.671 70.118 270 H ASN 39 H ASN 39 46.469 94.681 76.089 271 HA ASN 39 HA ASN 39 48.950 94.406 77.663 272 1HB ASN 39 1HB ASN 39 46.684 94.672 78.694 273 2HB ASN 39 2HB ASN 39 46.220 93.118 78.001 274 1HD2 ASN 39 1HD2 ASN 39 46.363 93.696 80.879 275 2HD2 ASN 39 2HD2 ASN 39 47.546 92.667 81.529 276 H ALA 40 H ALA 40 50.426 92.861 77.032 277 HA ALA 40 HA ALA 40 49.409 90.379 75.678 278 1HB ALA 40 1HB ALA 40 52.030 91.897 75.460 279 2HB ALA 40 2HB ALA 40 50.764 91.822 74.234 280 3HB ALA 40 3HB ALA 40 51.690 90.375 74.636 281 H GLY 41 H GLY 41 50.218 91.271 78.668 282 1HA GLY 41 1HA GLY 41 52.291 89.284 79.267 283 2HA GLY 41 2HA GLY 41 51.445 90.291 80.446 284 H ALA 42 H ALA 42 51.599 87.850 81.360 285 HA ALA 42 HA ALA 42 49.330 86.212 80.400 286 1HB ALA 42 1HB ALA 42 50.318 84.532 81.898 287 2HB ALA 42 2HB ALA 42 51.406 85.753 82.559 288 3HB ALA 42 3HB ALA 42 51.567 85.245 80.877 289 H VAL 43 H VAL 43 50.350 88.113 83.165 290 HA VAL 43 HA VAL 43 47.798 87.508 84.602 291 HB VAL 43 HB VAL 43 50.439 88.767 85.447 292 1HG1 VAL 43 1HG1 VAL 43 48.345 89.518 86.716 293 2HG1 VAL 43 2HG1 VAL 43 49.631 88.803 87.687 294 3HG1 VAL 43 3HG1 VAL 43 48.208 87.849 87.267 295 1HG2 VAL 43 1HG2 VAL 43 50.777 86.656 86.660 296 2HG2 VAL 43 2HG2 VAL 43 50.540 86.341 84.941 297 3HG2 VAL 43 3HG2 VAL 43 49.222 86.061 86.079 298 HA PRO 44 HA PRO 44 46.075 91.362 83.394 299 1HB PRO 44 1HB PRO 44 44.702 92.058 85.666 300 2HB PRO 44 2HB PRO 44 44.122 90.855 84.494 301 1HG PRO 44 1HG PRO 44 45.590 90.428 87.063 302 2HG PRO 44 2HG PRO 44 44.155 89.593 86.437 303 1HD PRO 44 1HD PRO 44 46.549 88.469 86.240 304 2HD PRO 44 2HD PRO 44 45.383 88.345 84.907 305 H ALA 45 H ALA 45 46.665 93.509 83.527 306 HA ALA 45 HA ALA 45 48.315 94.436 85.855 307 1HB ALA 45 1HB ALA 45 50.016 93.875 84.396 308 2HB ALA 45 2HB ALA 45 49.670 95.506 83.821 309 3HB ALA 45 3HB ALA 45 49.008 94.111 82.969 310 H ARG 46 H ARG 46 48.263 96.689 86.166 311 HA ARG 46 HA ARG 46 46.326 98.227 84.467 312 1HB ARG 46 1HB ARG 46 45.548 99.258 86.580 313 2HB ARG 46 2HB ARG 46 45.368 97.506 86.631 314 1HG ARG 46 1HG ARG 46 47.491 97.326 87.888 315 2HG ARG 46 2HG ARG 46 47.653 99.082 87.854 316 1HD ARG 46 1HD ARG 46 45.284 99.106 88.944 317 2HD ARG 46 2HD ARG 46 45.628 97.411 89.343 318 HE ARG 46 HE ARG 46 47.768 99.336 89.991 319 1HH1 ARG 46 2HH1 ARG 46 46.523 96.525 91.042 320 2HH1 ARG 46 1HH1 ARG 46 46.287 96.981 92.696 321 1HH2 ARG 46 1HH2 ARG 46 46.833 100.357 92.116 322 2HH2 ARG 46 2HH2 ARG 46 46.463 99.151 93.304 323 H LEU 47 H LEU 47 46.755 100.598 84.481 324 HA LEU 47 HA LEU 47 49.676 101.159 84.716 325 1HB LEU 47 1HB LEU 47 48.244 101.558 82.629 326 2HB LEU 47 2HB LEU 47 47.471 102.865 83.527 327 HG LEU 47 HG LEU 47 50.473 102.712 83.278 328 1HD1 LEU 47 1HD1 LEU 47 50.095 104.445 81.405 329 2HD1 LEU 47 2HD1 LEU 47 48.454 103.804 81.317 330 3HD1 LEU 47 3HD1 LEU 47 49.831 102.749 80.998 331 1HD2 LEU 47 1HD2 LEU 47 48.413 104.674 84.175 332 2HD2 LEU 47 2HD2 LEU 47 49.829 105.323 83.347 333 3HD2 LEU 47 3HD2 LEU 47 50.027 104.368 84.816 334 H VAL 48 H VAL 48 50.307 102.091 86.623 335 HA VAL 48 HA VAL 48 48.327 103.670 88.186 336 HB VAL 48 HB VAL 48 51.062 102.532 88.861 337 1HG1 VAL 48 1HG1 VAL 48 48.960 103.930 90.536 338 2HG1 VAL 48 2HG1 VAL 48 50.646 104.399 90.315 339 3HG1 VAL 48 3HG1 VAL 48 50.246 102.949 91.236 340 1HG2 VAL 48 1HG2 VAL 48 48.336 101.603 89.797 341 2HG2 VAL 48 2HG2 VAL 48 49.883 100.775 89.980 342 3HG2 VAL 48 3HG2 VAL 48 49.140 100.915 88.386 343 H ALA 49 H ALA 49 51.407 104.003 86.471 344 HA ALA 49 HA ALA 49 51.200 106.946 86.931 345 1HB ALA 49 1HB ALA 49 52.888 105.343 88.344 346 2HB ALA 49 2HB ALA 49 53.213 107.043 88.007 347 3HB ALA 49 3HB ALA 49 53.925 105.791 86.990 348 H ARG 50 H ARG 50 52.534 108.205 85.425 349 HA ARG 50 HA ARG 50 53.420 106.845 82.902 350 1HB ARG 50 1HB ARG 50 52.004 108.341 81.598 351 2HB ARG 50 2HB ARG 50 50.999 107.447 82.736 352 1HG ARG 50 1HG ARG 50 51.192 109.431 84.308 353 2HG ARG 50 2HG ARG 50 51.942 110.315 82.977 354 1HD ARG 50 1HD ARG 50 49.913 109.831 81.575 355 2HD ARG 50 2HD ARG 50 49.151 109.115 83.007 356 HE ARG 50 HE ARG 50 49.222 111.302 84.085 357 1HH1 ARG 50 2HH1 ARG 50 47.879 112.026 81.542 358 2HH1 ARG 50 1HH1 ARG 50 48.826 113.362 80.979 359 1HH2 ARG 50 1HH2 ARG 50 51.516 112.675 83.055 360 2HH2 ARG 50 2HH2 ARG 50 50.885 113.729 81.834 361 H HIS 51 H HIS 51 55.098 107.853 81.933 362 HA HIS 51 HA HIS 51 55.885 110.602 82.776 363 1HB HIS 51 1HB HIS 51 56.967 108.995 84.308 364 2HB HIS 51 2HB HIS 51 57.601 108.099 82.931 365 HD1 HIS 51 HD1 HIS 51 60.012 108.682 83.988 366 HD2 HIS 51 HD2 HIS 51 57.872 111.926 82.481 367 HE1 HIS 51 HE1 HIS 51 61.674 110.575 83.721 368 H TRP 52 H TRP 52 56.006 111.639 80.849 369 HA TRP 52 HA TRP 52 56.856 110.187 78.386 370 1HB TRP 52 1HB TRP 52 55.415 112.726 79.099 371 2HB TRP 52 2HB TRP 52 56.096 112.528 77.486 372 HD1 TRP 52 HD1 TRP 52 53.108 111.714 79.490 373 HE1 TRP 52 HE1 TRP 52 51.595 110.056 78.221 374 HE3 TRP 52 HE3 TRP 52 56.307 110.260 75.786 375 HZ2 TRP 52 HZ2 TRP 52 51.728 108.342 75.933 376 HZ3 TRP 52 HZ3 TRP 52 55.590 108.614 74.078 377 HH2 TRP 52 HH2 TRP 52 53.305 107.654 74.148 378 H GLN 53 H GLN 53 58.794 110.585 77.424 379 HA GLN 53 HA GLN 53 60.514 112.799 78.500 380 1HB GLN 53 1HB GLN 53 61.219 110.430 78.907 381 2HB GLN 53 2HB GLN 53 61.257 110.174 77.161 382 1HG GLN 53 1HG GLN 53 62.999 111.826 76.887 383 2HG GLN 53 2HG GLN 53 62.868 112.313 78.577 384 1HE2 GLN 53 1HE2 GLN 53 65.329 111.320 77.395 385 2HE2 GLN 53 2HE2 GLN 53 65.711 109.854 78.163 386 H ILE 54 H ILE 54 59.263 114.134 76.819 387 HA ILE 54 HA ILE 54 59.778 113.534 73.986 388 HB ILE 54 HB ILE 54 58.308 115.404 73.604 389 1HG1 ILE 54 1HG1 ILE 54 58.458 116.020 76.572 390 2HG1 ILE 54 2HG1 ILE 54 59.315 116.928 75.329 391 1HG2 ILE 54 1HG2 ILE 54 56.336 114.695 74.825 392 2HG2 ILE 54 2HG2 ILE 54 57.332 113.938 76.068 393 3HG2 ILE 54 3HG2 ILE 54 57.304 113.274 74.435 394 1HD1 ILE 54 1HD1 ILE 54 57.013 117.211 74.203 395 2HD1 ILE 54 2HD1 ILE 54 57.329 118.159 75.655 396 3HD1 ILE 54 3HD1 ILE 54 56.341 116.701 75.751 397 H THR 55 H THR 55 61.401 114.330 72.792 398 HA THR 55 HA THR 55 62.987 116.661 73.828 399 HB THR 55 HB THR 55 63.915 114.219 72.255 400 HG1 THR 55 HG1 THR 55 64.172 114.957 74.976 401 1HG2 THR 55 1HG2 THR 55 65.502 115.758 71.655 402 2HG2 THR 55 2HG2 THR 55 66.170 115.323 73.228 403 3HG2 THR 55 3HG2 THR 55 65.192 116.781 73.058 404 H ASP 56 H ASP 56 63.166 118.333 72.449 405 HA ASP 56 HA ASP 56 61.708 118.154 69.913 406 1HB ASP 56 1HB ASP 56 61.580 120.014 71.654 407 2HB ASP 56 2HB ASP 56 63.180 120.515 71.108 408 H GLY 57 H GLY 57 62.700 119.287 67.972 409 1HA GLY 57 1HA GLY 57 65.044 117.940 67.105 410 2HA GLY 57 2HA GLY 57 64.302 119.301 66.276 411 H ASN 58 H ASN 58 64.925 120.628 69.217 412 HA ASN 58 HA ASN 58 67.582 121.614 68.293 413 1HB ASN 58 1HB ASN 58 65.565 122.672 70.306 414 2HB ASN 58 2HB ASN 58 67.066 123.488 69.868 415 1HD2 ASN 58 1HD2 ASN 58 67.231 123.426 67.180 416 2HD2 ASN 58 2HD2 ASN 58 65.849 124.069 66.435 417 H GLY 59 H GLY 59 66.601 119.159 70.161 418 1HA GLY 59 1HA GLY 59 68.046 117.869 71.576 419 2HA GLY 59 2HA GLY 59 69.023 119.309 71.845 420 H ARG 60 H ARG 60 66.375 120.811 72.432 421 HA ARG 60 HA ARG 60 66.482 120.670 75.282 422 1HB ARG 60 1HB ARG 60 64.907 121.941 73.160 423 2HB ARG 60 2HB ARG 60 63.932 121.590 74.585 424 1HG ARG 60 1HG ARG 60 64.778 123.480 75.486 425 2HG ARG 60 2HG ARG 60 66.304 122.613 75.648 426 1HD ARG 60 1HD ARG 60 66.626 124.757 74.437 427 2HD ARG 60 2HD ARG 60 66.960 123.380 73.367 428 HE ARG 60 HE ARG 60 64.207 123.908 73.106 429 1HH1 ARG 60 2HH1 ARG 60 66.325 126.437 73.370 430 2HH1 ARG 60 1HH1 ARG 60 66.131 127.028 71.754 431 1HH2 ARG 60 1HH2 ARG 60 64.325 124.270 70.679 432 2HH2 ARG 60 2HH2 ARG 60 64.999 125.801 70.230 433 H THR 61 H THR 61 65.305 119.428 76.778 434 HA THR 61 HA THR 61 63.441 117.376 75.627 435 HB THR 61 HB THR 61 64.387 115.871 77.355 436 HG1 THR 61 HG1 THR 61 65.118 117.047 78.965 437 1HG2 THR 61 1HG2 THR 61 65.609 116.705 75.012 438 2HG2 THR 61 2HG2 THR 61 66.085 115.304 75.971 439 3HG2 THR 61 3HG2 THR 61 66.899 116.850 76.205 440 H GLU 62 H GLU 62 61.474 117.121 76.759 441 HA GLU 62 HA GLU 62 61.144 118.706 79.287 442 1HB GLU 62 1HB GLU 62 60.064 119.595 77.174 443 2HB GLU 62 2HB GLU 62 59.081 118.132 77.140 444 1HG GLU 62 1HG GLU 62 57.815 119.896 78.239 445 2HG GLU 62 2HG GLU 62 58.262 118.684 79.439 446 H GLN 63 H GLN 63 60.774 117.355 80.973 447 HA GLN 63 HA GLN 63 59.621 114.634 80.487 448 1HB GLN 63 1HB GLN 63 61.227 115.932 82.699 449 2HB GLN 63 2HB GLN 63 60.587 114.292 82.801 450 1HG GLN 63 1HG GLN 63 61.825 113.672 80.762 451 2HG GLN 63 2HG GLN 63 62.463 115.313 80.648 452 1HE2 GLN 63 1HE2 GLN 63 63.678 116.057 82.743 453 2HE2 GLN 63 2HE2 GLN 63 64.643 114.890 83.509 454 H VAL 64 H VAL 64 57.621 114.134 81.313 455 HA VAL 64 HA VAL 64 56.385 116.019 83.296 456 HB VAL 64 HB VAL 64 55.120 114.621 80.909 457 1HG1 VAL 64 1HG1 VAL 64 54.009 116.374 83.103 458 2HG1 VAL 64 2HG1 VAL 64 53.420 114.807 82.552 459 3HG1 VAL 64 3HG1 VAL 64 53.204 116.235 81.540 460 1HG2 VAL 64 1HG2 VAL 64 56.536 116.485 80.218 461 2HG2 VAL 64 2HG2 VAL 64 55.806 117.531 81.436 462 3HG2 VAL 64 3HG2 VAL 64 54.846 116.964 80.070 463 H ASP 65 H ASP 65 55.630 115.026 85.082 464 HA ASP 65 HA ASP 65 55.232 112.045 85.038 465 1HB ASP 65 1HB ASP 65 56.149 112.110 87.344 466 2HB ASP 65 2HB ASP 65 57.301 112.745 86.170 467 H GLY 66 H GLY 66 53.196 111.438 85.645 468 1HA GLY 66 1HA GLY 66 51.715 113.036 87.639 469 2HA GLY 66 2HA GLY 66 50.962 112.883 86.051 470 H GLU 67 H GLU 67 50.033 111.795 88.647 471 HA GLU 67 HA GLU 67 50.466 108.903 88.584 472 1HB GLU 67 1HB GLU 67 48.602 110.782 90.058 473 2HB GLU 67 2HB GLU 67 48.634 109.042 90.349 474 1HG GLU 67 1HG GLU 67 51.032 109.180 90.921 475 2HG GLU 67 2HG GLU 67 51.000 110.920 90.635 476 H GLY 68 H GLY 68 48.742 107.338 88.135 477 1HA GLY 68 1HA GLY 68 47.106 106.440 86.728 478 2HA GLY 68 2HA GLY 68 46.167 107.855 87.192 479 H VAL 69 H VAL 69 45.440 107.330 84.856 480 HA VAL 69 HA VAL 69 47.039 109.020 82.949 481 HB VAL 69 HB VAL 69 46.219 107.389 81.190 482 1HG1 VAL 69 1HG1 VAL 69 48.161 106.743 83.360 483 2HG1 VAL 69 2HG1 VAL 69 48.442 107.009 81.640 484 3HG1 VAL 69 3HG1 VAL 69 47.779 105.473 82.197 485 1HG2 VAL 69 1HG2 VAL 69 44.367 106.431 82.580 486 2HG2 VAL 69 2HG2 VAL 69 45.579 105.660 83.602 487 3HG2 VAL 69 3HG2 VAL 69 45.429 105.194 81.908 488 H VAL 70 H VAL 70 45.905 110.634 82.170 489 HA VAL 70 HA VAL 70 44.138 112.145 81.953 490 HB VAL 70 HB VAL 70 42.545 111.365 80.276 491 1HG1 VAL 70 1HG1 VAL 70 44.732 111.725 79.386 492 2HG1 VAL 70 2HG1 VAL 70 44.147 110.217 78.682 493 3HG1 VAL 70 3HG1 VAL 70 45.312 110.178 80.006 494 1HG2 VAL 70 1HG2 VAL 70 43.505 108.549 80.852 495 2HG2 VAL 70 2HG2 VAL 70 42.242 109.036 79.725 496 3HG2 VAL 70 3HG2 VAL 70 41.991 109.219 81.458 497 H GLY 71 H GLY 71 44.084 110.896 84.514 498 1HA GLY 71 1HA GLY 71 42.642 111.180 86.359 499 2HA GLY 71 2HA GLY 71 41.325 111.514 85.246 500 H GLU 72 H GLU 72 43.009 108.544 84.626 501 HA GLU 72 HA GLU 72 41.085 107.021 86.325 502 1HB GLU 72 1HB GLU 72 40.338 105.718 84.353 503 2HB GLU 72 2HB GLU 72 39.948 107.430 84.201 504 1HG GLU 72 1HG GLU 72 41.795 107.798 82.723 505 2HG GLU 72 2HG GLU 72 42.440 106.188 83.021 506 H GLN 73 H GLN 73 41.665 104.877 86.735 507 HA GLN 73 HA GLN 73 44.483 104.090 86.025 508 1HB GLN 73 1HB GLN 73 42.696 103.649 88.436 509 2HB GLN 73 2HB GLN 73 44.232 102.813 88.210 510 1HG GLN 73 1HG GLN 73 45.456 104.882 88.229 511 2HG GLN 73 2HG GLN 73 43.969 105.828 88.156 512 1HE2 GLN 73 1HE2 GLN 73 46.027 103.898 90.293 513 2HE2 GLN 73 2HE2 GLN 73 45.236 104.326 91.733 514 HA PRO 74 HA PRO 74 41.350 101.217 84.052 515 1HB PRO 74 1HB PRO 74 42.909 100.592 81.897 516 2HB PRO 74 2HB PRO 74 41.811 101.987 81.933 517 1HG PRO 74 1HG PRO 74 44.754 101.888 82.360 518 2HG PRO 74 2HG PRO 74 43.781 103.074 81.475 519 1HD PRO 74 1HD PRO 74 44.726 103.525 83.969 520 2HD PRO 74 2HD PRO 74 43.203 104.221 83.373 521 H TRP 75 H TRP 75 41.367 99.033 84.362 522 HA TRP 75 HA TRP 75 43.872 97.746 85.369 523 1HB TRP 75 1HB TRP 75 41.530 97.917 86.569 524 2HB TRP 75 2HB TRP 75 41.090 96.602 85.481 525 HD1 TRP 75 HD1 TRP 75 43.757 97.464 88.133 526 HE1 TRP 75 HE1 TRP 75 44.550 95.267 89.225 527 HE3 TRP 75 HE3 TRP 75 41.161 94.090 85.312 528 HZ2 TRP 75 HZ2 TRP 75 44.137 92.451 88.940 529 HZ3 TRP 75 HZ3 TRP 75 41.380 91.659 85.744 530 HH2 TRP 75 HH2 TRP 75 42.862 90.836 87.552 531 H LEU 76 H LEU 76 44.562 97.612 83.019 532 HA LEU 76 HA LEU 76 43.122 96.223 81.009 533 1HB LEU 76 1HB LEU 76 45.938 96.979 81.594 534 2HB LEU 76 2HB LEU 76 45.691 95.758 80.344 535 HG LEU 76 HG LEU 76 44.290 98.446 80.415 536 1HD1 LEU 76 1HD1 LEU 76 46.804 98.483 80.003 537 2HD1 LEU 76 2HD1 LEU 76 45.812 99.156 78.709 538 3HD1 LEU 76 3HD1 LEU 76 46.489 97.536 78.548 539 1HD2 LEU 76 1HD2 LEU 76 44.126 96.008 78.716 540 2HD2 LEU 76 2HD2 LEU 76 44.124 97.551 77.864 541 3HD2 LEU 76 3HD2 LEU 76 42.889 97.213 79.075 542 H ARG 77 H ARG 77 42.435 94.162 81.028 543 HA ARG 77 HA ARG 77 43.716 92.105 82.714 544 1HB ARG 77 1HB ARG 77 41.376 92.107 80.768 545 2HB ARG 77 2HB ARG 77 41.786 90.769 81.840 546 1HG ARG 77 1HG ARG 77 41.359 92.105 83.798 547 2HG ARG 77 2HG ARG 77 41.198 93.569 82.829 548 1HD ARG 77 1HD ARG 77 39.311 92.061 81.621 549 2HD ARG 77 2HD ARG 77 39.240 91.366 83.253 550 HE ARG 77 HE ARG 77 39.245 94.328 83.009 551 1HH1 ARG 77 1HH2 ARG 77 38.561 92.528 85.444 552 2HH1 ARG 77 2HH2 ARG 77 36.845 92.757 85.519 553 1HH2 ARG 77 2HH1 ARG 77 36.624 94.131 82.343 554 2HH2 ARG 77 1HH1 ARG 77 35.750 93.665 83.763 555 HA PRO 78 HA PRO 78 46.353 90.456 79.606 556 1HB PRO 78 1HB PRO 78 45.802 87.771 79.555 557 2HB PRO 78 2HB PRO 78 46.777 88.538 80.826 558 1HG PRO 78 1HG PRO 78 43.899 87.763 80.861 559 2HG PRO 78 2HG PRO 78 45.131 87.585 82.123 560 1HD PRO 78 1HD PRO 78 43.297 89.557 82.176 561 2HD PRO 78 2HD PRO 78 44.942 89.773 82.810 562 H GLY 79 H GLY 79 46.111 90.631 77.461 563 1HA GLY 79 1HA GLY 79 45.245 90.095 75.293 564 2HA GLY 79 2HA GLY 79 43.874 89.301 76.064 565 H GLU 80 H GLU 80 43.694 91.945 77.782 566 HA GLU 80 HA GLU 80 41.790 93.264 75.950 567 1HB GLU 80 1HB GLU 80 41.579 92.684 78.499 568 2HB GLU 80 2HB GLU 80 42.535 94.150 78.734 569 1HG GLU 80 1HG GLU 80 40.881 95.473 77.522 570 2HG GLU 80 2HG GLU 80 39.946 94.021 77.159 571 H ALA 81 H ALA 81 41.840 95.689 75.787 572 HA ALA 81 HA ALA 81 44.553 96.888 76.029 573 1HB ALA 81 1HB ALA 81 44.422 97.596 73.659 574 2HB ALA 81 2HB ALA 81 42.870 96.772 73.502 575 3HB ALA 81 3HB ALA 81 44.339 95.840 73.793 576 H PHE 82 H PHE 82 44.478 99.197 76.175 577 HA PHE 82 HA PHE 82 41.734 100.380 76.462 578 1HB PHE 82 1HB PHE 82 42.956 100.085 78.586 579 2HB PHE 82 2HB PHE 82 44.331 100.970 77.927 580 HD1 PHE 82 HD1 PHE 82 44.306 103.377 77.735 581 HD2 PHE 82 HD2 PHE 82 40.803 101.248 79.019 582 HE1 PHE 82 HE1 PHE 82 43.260 105.515 78.429 583 HE2 PHE 82 HE2 PHE 82 39.757 103.387 79.713 584 HZ PHE 82 HZ PHE 82 40.986 105.521 79.415 585 H HIS 83 H HIS 83 41.465 102.487 75.488 586 HA HIS 83 HA HIS 83 43.839 103.696 74.157 587 1HB HIS 83 1HB HIS 83 42.591 103.740 72.011 588 2HB HIS 83 2HB HIS 83 42.853 102.093 72.577 589 HD1 HIS 83 HD1 HIS 83 40.146 104.764 72.525 590 HD2 HIS 83 HD2 HIS 83 40.508 100.636 72.979 591 HE1 HIS 83 HE1 HIS 83 37.789 103.838 72.557 592 H TYR 84 H TYR 84 43.700 105.932 73.996 593 HA TYR 84 HA TYR 84 41.098 107.288 74.337 594 1HB TYR 84 1HB TYR 84 41.818 108.492 76.332 595 2HB TYR 84 2HB TYR 84 41.978 106.764 76.626 596 HD1 TYR 84 HD1 TYR 84 43.760 109.931 76.144 597 HD2 TYR 84 HD2 TYR 84 44.204 105.696 76.685 598 HE1 TYR 84 HE1 TYR 84 46.157 110.252 76.688 599 HE2 TYR 84 HE2 TYR 84 46.601 106.014 77.228 600 HH TYR 84 HH TYR 84 47.952 108.381 78.251 601 H THR 85 H THR 85 41.302 109.640 73.866 602 HA THR 85 HA THR 85 43.535 110.149 71.955 603 HB THR 85 HB THR 85 40.912 111.594 72.457 604 HG1 THR 85 HG1 THR 85 40.158 109.904 71.485 605 1HG2 THR 85 1HG2 THR 85 42.809 111.716 70.097 606 2HG2 THR 85 2HG2 THR 85 42.700 112.945 71.356 607 3HG2 THR 85 3HG2 THR 85 41.321 112.643 70.299 608 H SER 86 H SER 86 45.054 111.727 72.349 609 HA SER 86 HA SER 86 44.652 113.482 74.750 610 1HB SER 86 1HB SER 86 46.255 111.766 75.220 611 2HB SER 86 2HB SER 86 47.073 112.024 73.682 612 HG SER 86 HG SER 86 46.894 113.806 75.888 613 H GLY 87 H GLY 87 46.076 115.560 74.553 614 1HA GLY 87 1HA GLY 87 46.577 116.296 71.704 615 2HA GLY 87 2HA GLY 87 45.647 117.375 72.742 616 H VAL 88 H VAL 88 48.537 117.223 71.419 617 HA VAL 88 HA VAL 88 49.900 118.544 73.743 618 HB VAL 88 HB VAL 88 52.011 117.416 72.905 619 1HG1 VAL 88 1HG1 VAL 88 49.698 116.067 74.191 620 2HG1 VAL 88 2HG1 VAL 88 51.326 116.347 74.807 621 3HG1 VAL 88 3HG1 VAL 88 51.027 115.031 73.672 622 1HG2 VAL 88 1HG2 VAL 88 51.722 115.401 71.495 623 2HG2 VAL 88 2HG2 VAL 88 51.214 116.857 70.640 624 3HG2 VAL 88 3HG2 VAL 88 50.006 115.772 71.324 625 H LEU 89 H LEU 89 51.281 120.269 73.139 626 HA LEU 89 HA LEU 89 50.980 121.160 70.297 627 1HB LEU 89 1HB LEU 89 51.296 122.625 72.930 628 2HB LEU 89 2HB LEU 89 51.362 123.440 71.367 629 HG LEU 89 HG LEU 89 49.086 122.038 71.024 630 1HD1 LEU 89 1HD1 LEU 89 49.580 121.379 73.594 631 2HD1 LEU 89 2HD1 LEU 89 47.945 121.548 72.956 632 3HD1 LEU 89 3HD1 LEU 89 48.682 122.875 73.852 633 1HD2 LEU 89 1HD2 LEU 89 47.953 124.175 72.033 634 2HD2 LEU 89 2HD2 LEU 89 49.021 124.354 70.642 635 3HD2 LEU 89 3HD2 LEU 89 49.611 124.734 72.260 636 H LEU 90 H LEU 90 52.840 121.828 69.178 637 HA LEU 90 HA LEU 90 55.458 121.426 70.588 638 1HB LEU 90 1HB LEU 90 54.419 120.659 67.868 639 2HB LEU 90 2HB LEU 90 56.155 120.825 68.138 640 HG LEU 90 HG LEU 90 54.360 119.114 69.877 641 1HD1 LEU 90 1HD1 LEU 90 54.254 117.796 68.014 642 2HD1 LEU 90 2HD1 LEU 90 55.893 117.349 68.484 643 3HD1 LEU 90 3HD1 LEU 90 55.635 118.584 67.252 644 1HD2 LEU 90 1HD2 LEU 90 56.356 119.671 71.041 645 2HD2 LEU 90 2HD2 LEU 90 57.342 119.519 69.588 646 3HD2 LEU 90 3HD2 LEU 90 56.673 118.079 70.354 647 H GLU 91 H GLU 91 57.106 122.987 70.111 648 HA GLU 91 HA GLU 91 56.174 125.601 69.218 649 1HB GLU 91 1HB GLU 91 57.798 125.200 71.055 650 2HB GLU 91 2HB GLU 91 58.937 124.536 69.884 651 1HG GLU 91 1HG GLU 91 58.963 126.692 68.681 652 2HG GLU 91 2HG GLU 91 57.826 127.359 69.852 653 H THR 92 H THR 92 57.908 122.915 67.743 654 HA THR 92 HA THR 92 58.240 124.576 65.265 655 HB THR 92 HB THR 92 60.251 123.160 64.850 656 HG1 THR 92 HG1 THR 92 59.742 122.172 67.454 657 1HG2 THR 92 1HG2 THR 92 60.472 124.218 67.657 658 2HG2 THR 92 2HG2 THR 92 60.205 125.321 66.307 659 3HG2 THR 92 3HG2 THR 92 61.646 124.307 66.344 660 H GLU 93 H GLU 93 58.379 123.101 63.260 661 HA GLU 93 HA GLU 93 56.027 121.335 63.251 662 1HB GLU 93 1HB GLU 93 56.736 123.116 61.542 663 2HB GLU 93 2HB GLU 93 57.941 121.950 60.997 664 1HG GLU 93 1HG GLU 93 56.157 120.296 60.577 665 2HG GLU 93 2HG GLU 93 54.950 121.460 61.120 666 H GLN 94 H GLN 94 59.040 120.649 64.297 667 HA GLN 94 HA GLN 94 58.926 117.884 63.199 668 1HB GLN 94 1HB GLN 94 61.267 119.803 63.258 669 2HB GLN 94 2HB GLN 94 61.463 118.069 62.989 670 1HG GLN 94 1HG GLN 94 59.956 118.197 61.039 671 2HG GLN 94 2HG GLN 94 59.762 119.930 61.302 672 1HE2 GLN 94 1HE2 GLN 94 60.863 120.736 59.452 673 2HE2 GLN 94 2HE2 GLN 94 62.500 120.427 59.130 674 H GLY 95 H GLY 95 59.662 116.293 64.784 675 1HA GLY 95 1HA GLY 95 61.212 116.925 67.078 676 2HA GLY 95 2HA GLY 95 59.521 117.095 67.531 677 H GLN 96 H GLN 96 61.445 115.228 68.546 678 HA GLN 96 HA GLN 96 60.253 112.581 67.715 679 1HB GLN 96 1HB GLN 96 62.672 112.922 67.241 680 2HB GLN 96 2HB GLN 96 62.941 113.273 68.949 681 1HG GLN 96 1HG GLN 96 62.110 111.025 69.544 682 2HG GLN 96 2HG GLN 96 61.845 110.671 67.837 683 1HE2 GLN 96 1HE2 GLN 96 63.488 109.243 67.229 684 2HE2 GLN 96 2HE2 GLN 96 65.134 109.457 67.580 685 H MET 97 H MET 97 59.055 111.607 69.332 686 HA MET 97 HA MET 97 59.495 112.543 72.154 687 1HB MET 97 1HB MET 97 56.959 111.866 70.639 688 2HB MET 97 2HB MET 97 57.015 112.251 72.359 689 1HG MET 97 1HG MET 97 57.847 114.469 71.911 690 2HG MET 97 2HG MET 97 58.077 114.094 70.203 691 1HE MET 97 1HE MET 97 54.181 113.758 72.406 692 2HE MET 97 2HE MET 97 54.998 115.256 72.845 693 3HE MET 97 3HE MET 97 55.840 113.719 73.020 694 H GLN 98 H GLN 98 60.135 110.856 73.474 695 HA GLN 98 HA GLN 98 59.111 108.086 72.907 696 1HB GLN 98 1HB GLN 98 61.520 108.509 72.292 697 2HB GLN 98 2HB GLN 98 61.820 108.960 73.971 698 1HG GLN 98 1HG GLN 98 61.110 106.737 74.723 699 2HG GLN 98 2HG GLN 98 60.746 106.275 73.059 700 1HE2 GLN 98 1HE2 GLN 98 62.375 104.739 72.618 701 2HE2 GLN 98 2HE2 GLN 98 64.038 105.050 72.772 702 H GLY 99 H GLY 99 58.579 106.903 74.885 703 1HA GLY 99 1HA GLY 99 59.160 108.115 77.482 704 2HA GLY 99 2HA GLY 99 57.471 108.297 77.015 705 H HIS 100 H HIS 100 57.561 106.943 79.183 706 HA HIS 100 HA HIS 100 57.147 104.107 78.377 707 1HB HIS 100 1HB HIS 100 58.425 103.400 80.408 708 2HB HIS 100 2HB HIS 100 59.426 104.245 79.229 709 HD1 HIS 100 HD1 HIS 100 59.921 106.828 79.765 710 HD2 HIS 100 HD2 HIS 100 58.321 104.618 82.917 711 HE1 HIS 100 HE1 HIS 100 60.348 108.170 81.868 712 H TYR 101 H TYR 101 55.793 102.930 79.909 713 HA TYR 101 HA TYR 101 54.048 104.728 81.552 714 1HB TYR 101 1HB TYR 101 53.580 102.363 79.762 715 2HB TYR 101 2HB TYR 101 52.452 102.654 81.080 716 HD1 TYR 101 HD1 TYR 101 52.373 105.639 81.160 717 HD2 TYR 101 HD2 TYR 101 52.408 102.931 77.820 718 HE1 TYR 101 HE1 TYR 101 51.212 107.331 79.773 719 HE2 TYR 101 HE2 TYR 101 51.246 104.628 76.437 720 HH TYR 101 HH TYR 101 49.561 106.860 77.306 721 H ASP 102 H ASP 102 53.981 104.221 83.784 722 HA ASP 102 HA ASP 102 55.431 101.823 84.734 723 1HB ASP 102 1HB ASP 102 55.537 104.164 85.759 724 2HB ASP 102 2HB ASP 102 53.864 103.928 86.266 725 H MET 103 H MET 103 54.455 99.952 84.987 726 HA MET 103 HA MET 103 51.473 99.856 85.410 727 1HB MET 103 1HB MET 103 53.343 98.002 83.906 728 2HB MET 103 2HB MET 103 51.605 97.768 84.084 729 1HG MET 103 1HG MET 103 51.361 100.112 83.046 730 2HG MET 103 2HG MET 103 53.053 99.948 82.579 731 1HE MET 103 1HE MET 103 49.763 98.602 82.846 732 2HE MET 103 2HE MET 103 49.751 97.071 81.972 733 3HE MET 103 3HE MET 103 49.279 98.554 81.145 734 H VAL 104 H VAL 104 50.762 97.907 86.609 735 HA VAL 104 HA VAL 104 52.865 96.615 88.291 736 HB VAL 104 HB VAL 104 51.308 97.049 90.270 737 1HG1 VAL 104 1HG1 VAL 104 52.545 99.461 88.917 738 2HG1 VAL 104 2HG1 VAL 104 53.428 98.268 89.871 739 3HG1 VAL 104 3HG1 VAL 104 52.212 99.288 90.640 740 1HG2 VAL 104 1HG2 VAL 104 49.354 97.712 88.766 741 2HG2 VAL 104 2HG2 VAL 104 50.201 99.232 88.485 742 3HG2 VAL 104 3HG2 VAL 104 49.680 98.801 90.113 743 H ALA 105 H ALA 105 52.448 94.441 88.496 744 HA ALA 105 HA ALA 105 50.134 93.186 87.241 745 1HB ALA 105 1HB ALA 105 52.049 91.992 89.259 746 2HB ALA 105 2HB ALA 105 52.531 92.310 87.591 747 3HB ALA 105 3HB ALA 105 51.225 91.175 87.930 748 H ASP 106 H ASP 106 48.632 91.742 88.467 749 HA ASP 106 HA ASP 106 47.287 93.165 90.569 750 1HB ASP 106 1HB ASP 106 45.888 91.133 90.634 751 2HB ASP 106 2HB ASP 106 46.234 91.592 88.969 752 H ASP 107 H ASP 107 49.796 90.692 90.613 753 HA ASP 107 HA ASP 107 49.457 90.020 93.433 754 1HB ASP 107 1HB ASP 107 51.571 89.512 91.327 755 2HB ASP 107 2HB ASP 107 51.669 88.851 92.961 756 H GLY 108 H GLY 108 50.665 92.807 91.976 757 1HA GLY 108 1HA GLY 108 51.543 94.607 93.355 758 2HA GLY 108 2HA GLY 108 52.287 93.398 94.399 759 H THR 109 H THR 109 53.004 92.121 91.520 760 HA THR 109 HA THR 109 55.754 92.792 91.531 761 HB THR 109 HB THR 109 54.046 91.982 89.157 762 HG1 THR 109 HG1 THR 109 55.148 90.478 91.290 763 1HG2 THR 109 1HG2 THR 109 56.322 92.488 88.519 764 2HG2 THR 109 2HG2 THR 109 56.146 90.733 88.553 765 3HG2 THR 109 3HG2 THR 109 56.956 91.564 89.881 766 H GLU 110 H GLU 110 56.877 94.571 90.683 767 HA GLU 110 HA GLU 110 55.248 96.651 89.301 768 1HB GLU 110 1HB GLU 110 56.455 97.200 91.401 769 2HB GLU 110 2HB GLU 110 57.978 96.756 90.631 770 1HG GLU 110 1HG GLU 110 57.637 98.516 88.934 771 2HG GLU 110 2HG GLU 110 56.116 98.965 89.704 772 H PHE 111 H PHE 111 55.760 97.336 87.242 773 HA PHE 111 HA PHE 111 58.317 96.737 85.947 774 1HB PHE 111 1HB PHE 111 57.456 95.135 84.354 775 2HB PHE 111 2HB PHE 111 57.022 94.557 85.959 776 HD1 PHE 111 HD1 PHE 111 55.775 95.965 82.805 777 HD2 PHE 111 HD2 PHE 111 54.689 94.665 86.753 778 HE1 PHE 111 HE1 PHE 111 53.388 95.930 82.137 779 HE2 PHE 111 HE2 PHE 111 52.303 94.634 86.081 780 HZ PHE 111 HZ PHE 111 51.652 95.265 83.776 781 H ILE 112 H ILE 112 58.636 98.073 84.203 782 HA ILE 112 HA ILE 112 56.501 100.072 83.658 783 HB ILE 112 HB ILE 112 58.402 101.363 82.717 784 1HG1 ILE 112 1HG1 ILE 112 60.220 99.145 83.664 785 2HG1 ILE 112 2HG1 ILE 112 59.616 99.177 82.007 786 1HG2 ILE 112 1HG2 ILE 112 59.389 100.254 85.324 787 2HG2 ILE 112 2HG2 ILE 112 57.829 101.077 85.275 788 3HG2 ILE 112 3HG2 ILE 112 59.292 101.932 84.789 789 1HD1 ILE 112 1HD1 ILE 112 61.770 100.301 82.068 790 2HD1 ILE 112 2HD1 ILE 112 61.229 101.340 83.388 791 3HD1 ILE 112 3HD1 ILE 112 60.513 101.506 81.784 792 H ALA 113 H ALA 113 56.035 100.685 81.439 793 HA ALA 113 HA ALA 113 56.599 98.536 79.424 794 1HB ALA 113 1HB ALA 113 54.310 99.293 78.536 795 2HB ALA 113 2HB ALA 113 54.136 100.188 80.046 796 3HB ALA 113 3HB ALA 113 54.291 98.432 80.075 797 HA PRO 114 HA PRO 114 58.552 102.368 77.855 798 1HB PRO 114 1HB PRO 114 59.933 101.145 75.852 799 2HB PRO 114 2HB PRO 114 60.521 101.208 77.527 800 1HG PRO 114 1HG PRO 114 59.154 98.990 76.087 801 2HG PRO 114 2HG PRO 114 60.520 98.933 77.213 802 1HD PRO 114 1HD PRO 114 57.998 98.301 77.949 803 2HD PRO 114 2HD PRO 114 59.172 99.026 79.067 804 H ILE 115 H ILE 115 57.929 103.642 76.255 805 HA ILE 115 HA ILE 115 55.929 102.618 74.257 806 HB ILE 115 HB ILE 115 56.487 105.427 75.272 807 1HG1 ILE 115 1HG1 ILE 115 54.176 103.598 75.984 808 2HG1 ILE 115 2HG1 ILE 115 55.604 103.788 77.003 809 1HG2 ILE 115 1HG2 ILE 115 55.413 105.078 72.974 810 2HG2 ILE 115 2HG2 ILE 115 54.507 106.065 74.120 811 3HG2 ILE 115 3HG2 ILE 115 54.040 104.389 73.839 812 1HD1 ILE 115 1HD1 ILE 115 54.129 105.373 77.905 813 2HD1 ILE 115 2HD1 ILE 115 53.491 105.819 76.323 814 3HD1 ILE 115 3HD1 ILE 115 55.105 106.343 76.803 815 H ALA 116 H ALA 116 56.663 102.479 72.207 816 HA ALA 116 HA ALA 116 59.238 103.024 71.271 817 1HB ALA 116 1HB ALA 116 58.297 102.626 69.123 818 2HB ALA 116 2HB ALA 116 56.739 103.301 69.598 819 3HB ALA 116 3HB ALA 116 57.259 101.746 70.244 820 H ALA 117 H ALA 117 60.167 104.760 70.060 821 HA ALA 117 HA ALA 117 58.977 107.428 70.613 822 1HB ALA 117 1HB ALA 117 61.361 106.659 71.198 823 2HB ALA 117 2HB ALA 117 61.222 108.195 70.343 824 3HB ALA 117 3HB ALA 117 61.691 106.737 69.467 825 H PHE 118 H PHE 118 57.788 108.306 68.961 826 HA PHE 118 HA PHE 118 58.455 107.548 66.143 827 1HB PHE 118 1HB PHE 118 56.105 108.297 65.710 828 2HB PHE 118 2HB PHE 118 56.183 106.990 66.890 829 HD1 PHE 118 HD1 PHE 118 55.517 107.321 69.173 830 HD2 PHE 118 HD2 PHE 118 55.746 110.650 66.470 831 HE1 PHE 118 HE1 PHE 118 54.332 108.742 70.824 832 HE2 PHE 118 HE2 PHE 118 54.561 112.071 68.122 833 HZ PHE 118 HZ PHE 118 53.854 111.118 70.298 834 H VAL 119 H VAL 119 58.043 109.463 64.560 835 HA VAL 119 HA VAL 119 59.125 111.963 65.811 836 HB VAL 119 HB VAL 119 59.400 110.825 63.006 837 1HG1 VAL 119 1HG1 VAL 119 60.654 113.253 64.326 838 2HG1 VAL 119 2HG1 VAL 119 59.495 113.270 62.995 839 3HG1 VAL 119 3HG1 VAL 119 61.114 112.616 62.746 840 1HG2 VAL 119 1HG2 VAL 119 61.793 110.523 63.712 841 2HG2 VAL 119 2HG2 VAL 119 60.667 109.510 64.616 842 3HG2 VAL 119 3HG2 VAL 119 61.322 110.974 65.351 843 H LEU 120 H LEU 120 58.307 113.971 64.994 844 HA LEU 120 HA LEU 120 55.605 113.777 63.695 845 1HB LEU 120 1HB LEU 120 56.829 115.729 65.672 846 2HB LEU 120 2HB LEU 120 55.290 116.021 64.867 847 HG LEU 120 HG LEU 120 54.535 113.758 65.787 848 1HD1 LEU 120 1HD1 LEU 120 57.243 113.994 66.969 849 2HD1 LEU 120 2HD1 LEU 120 56.300 112.553 66.596 850 3HD1 LEU 120 3HD1 LEU 120 55.975 113.462 68.070 851 1HD2 LEU 120 1HD2 LEU 120 55.170 115.528 68.103 852 2HD2 LEU 120 2HD2 LEU 120 53.627 114.826 67.614 853 3HD2 LEU 120 3HD2 LEU 120 54.261 116.239 66.770 854 H SER 121 H SER 121 55.382 114.808 61.743 855 HA SER 121 HA SER 121 57.180 117.039 60.994 856 1HB SER 121 1HB SER 121 57.942 115.803 58.979 857 2HB SER 121 2HB SER 121 58.429 114.981 60.459 858 HG SER 121 HG SER 121 57.414 113.658 58.765 Start of MODEL 13 1 H ARG 6 1H ARG 6 56.061 86.847 81.518 2 HA ARG 6 HA ARG 6 53.114 86.391 81.844 3 1HB ARG 6 1HB ARG 6 55.378 86.734 83.838 4 2HB ARG 6 2HB ARG 6 53.682 86.534 84.281 5 1HG ARG 6 1HG ARG 6 53.634 84.352 83.128 6 2HG ARG 6 2HG ARG 6 55.331 84.548 82.688 7 1HD ARG 6 1HD ARG 6 55.210 83.148 84.688 8 2HD ARG 6 2HD ARG 6 55.865 84.729 85.161 9 HE ARG 6 HE ARG 6 52.930 84.490 85.297 10 1HH1 ARG 6 2HH1 ARG 6 54.615 82.658 87.210 11 2HH1 ARG 6 1HH1 ARG 6 54.566 83.623 88.647 12 1HH2 ARG 6 1HH2 ARG 6 53.450 86.472 87.015 13 2HH2 ARG 6 2HH2 ARG 6 53.907 85.782 88.537 14 H TYR 7 H TYR 7 55.747 88.746 82.125 15 HA TYR 7 HA TYR 7 53.742 90.916 82.638 16 1HB TYR 7 1HB TYR 7 56.642 90.440 83.277 17 2HB TYR 7 2HB TYR 7 56.043 92.095 83.195 18 HD1 TYR 7 HD1 TYR 7 54.748 88.824 84.541 19 HD2 TYR 7 HD2 TYR 7 55.495 92.992 85.264 20 HE1 TYR 7 HE1 TYR 7 53.801 88.600 86.819 21 HE2 TYR 7 HE2 TYR 7 54.549 92.762 87.544 22 HH TYR 7 HH TYR 7 52.797 89.997 88.536 23 H ARG 8 H ARG 8 53.125 91.499 80.541 24 HA ARG 8 HA ARG 8 55.206 92.773 78.826 25 1HB ARG 8 1HB ARG 8 53.331 90.540 77.986 26 2HB ARG 8 2HB ARG 8 54.326 91.480 76.876 27 1HG ARG 8 1HG ARG 8 56.343 90.761 78.232 28 2HG ARG 8 2HG ARG 8 55.278 89.643 79.086 29 1HD ARG 8 1HD ARG 8 56.311 88.406 77.275 30 2HD ARG 8 2HD ARG 8 54.626 88.704 76.802 31 HE ARG 8 HE ARG 8 55.409 90.198 75.140 32 1HH1 ARG 8 1HH2 ARG 8 57.985 88.514 75.365 33 2HH1 ARG 8 2HH2 ARG 8 59.176 89.769 75.449 34 1HH2 ARG 8 2HH1 ARG 8 56.876 92.265 76.163 35 2HH2 ARG 8 1HH1 ARG 8 58.548 91.894 75.901 36 H VAL 9 H VAL 9 54.442 94.557 77.839 37 HA VAL 9 HA VAL 9 51.535 94.994 77.393 38 HB VAL 9 HB VAL 9 53.305 96.727 79.162 39 1HG1 VAL 9 1HG1 VAL 9 50.491 97.035 78.109 40 2HG1 VAL 9 2HG1 VAL 9 51.816 98.198 78.051 41 3HG1 VAL 9 3HG1 VAL 9 51.016 97.850 79.583 42 1HG2 VAL 9 1HG2 VAL 9 51.025 94.827 79.744 43 2HG2 VAL 9 2HG2 VAL 9 51.497 96.097 80.873 44 3HG2 VAL 9 3HG2 VAL 9 52.644 94.828 80.444 45 H GLU 10 H GLU 10 51.546 95.611 75.292 46 HA GLU 10 HA GLU 10 53.747 97.370 74.223 47 1HB GLU 10 1HB GLU 10 51.760 95.422 73.013 48 2HB GLU 10 2HB GLU 10 52.823 96.457 72.060 49 1HG GLU 10 1HG GLU 10 54.793 95.443 73.146 50 2HG GLU 10 2HG GLU 10 53.732 94.404 74.099 51 H VAL 11 H VAL 11 53.254 99.387 73.745 52 HA VAL 11 HA VAL 11 50.364 100.175 73.523 53 HB VAL 11 HB VAL 11 52.791 101.731 74.493 54 1HG1 VAL 11 1HG1 VAL 11 50.001 102.619 75.037 55 2HG1 VAL 11 2HG1 VAL 11 50.587 102.831 73.388 56 3HG1 VAL 11 3HG1 VAL 11 51.448 103.579 74.731 57 1HG2 VAL 11 1HG2 VAL 11 52.360 100.288 76.262 58 2HG2 VAL 11 2HG2 VAL 11 50.651 100.135 75.857 59 3HG2 VAL 11 3HG2 VAL 11 51.241 101.595 76.651 60 H GLU 12 H GLU 12 49.786 101.352 71.680 61 HA GLU 12 HA GLU 12 51.977 102.047 69.740 62 1HB GLU 12 1HB GLU 12 50.572 100.089 69.130 63 2HB GLU 12 2HB GLU 12 49.132 101.098 69.264 64 1HG GLU 12 1HG GLU 12 50.001 102.580 67.490 65 2HG GLU 12 2HG GLU 12 51.439 101.570 67.351 66 H VAL 13 H VAL 13 51.929 104.124 68.954 67 HA VAL 13 HA VAL 13 49.544 105.838 69.593 68 HB VAL 13 HB VAL 13 52.507 106.485 69.801 69 1HG1 VAL 13 1HG1 VAL 13 50.006 108.119 70.286 70 2HG1 VAL 13 2HG1 VAL 13 51.346 108.489 69.200 71 3HG1 VAL 13 3HG1 VAL 13 51.578 108.568 70.947 72 1HG2 VAL 13 1HG2 VAL 13 50.412 105.646 71.767 73 2HG2 VAL 13 2HG2 VAL 13 51.609 106.832 72.287 74 3HG2 VAL 13 3HG2 VAL 13 52.128 105.245 71.721 75 H SER 14 H SER 14 48.836 107.101 67.938 76 HA SER 14 HA SER 14 50.540 107.260 65.477 77 1HB SER 14 1HB SER 14 48.668 105.670 65.267 78 2HB SER 14 2HB SER 14 47.535 106.922 65.769 79 HG SER 14 HG SER 14 47.554 106.847 63.540 80 HA PRO 15 HA PRO 15 49.494 111.566 66.493 81 1HB PRO 15 1HB PRO 15 51.749 112.700 65.482 82 2HB PRO 15 2HB PRO 15 51.694 111.962 67.096 83 1HG PRO 15 1HG PRO 15 52.779 110.872 64.553 84 2HG PRO 15 2HG PRO 15 53.406 110.733 66.202 85 1HD PRO 15 1HD PRO 15 52.042 108.743 64.943 86 2HD PRO 15 2HD PRO 15 52.064 108.956 66.706 87 H ARG 16 H ARG 16 49.223 113.492 65.129 88 HA ARG 16 HA ARG 16 49.338 113.202 62.196 89 1HB ARG 16 1HB ARG 16 46.867 113.446 61.985 90 2HB ARG 16 2HB ARG 16 47.307 111.948 62.805 91 1HG ARG 16 1HG ARG 16 46.926 113.061 64.993 92 2HG ARG 16 2HG ARG 16 46.415 114.519 64.144 93 1HD ARG 16 1HD ARG 16 44.573 113.263 63.074 94 2HD ARG 16 2HD ARG 16 45.084 111.793 63.931 95 HE ARG 16 HE ARG 16 44.452 114.246 65.507 96 1HH1 ARG 16 1HH2 ARG 16 45.053 111.645 66.849 97 2HH1 ARG 16 2HH2 ARG 16 43.469 111.027 67.181 98 1HH2 ARG 16 2HH1 ARG 16 41.882 113.168 64.962 99 2HH2 ARG 16 1HH1 ARG 16 41.673 111.890 66.112 100 H PHE 17 H PHE 17 49.679 115.167 61.345 101 HA PHE 17 HA PHE 17 50.073 117.519 62.882 102 1HB PHE 17 1HB PHE 17 51.016 116.986 60.646 103 2HB PHE 17 2HB PHE 17 49.419 117.220 59.936 104 HD1 PHE 17 HD1 PHE 17 51.999 118.959 62.014 105 HD2 PHE 17 HD2 PHE 17 48.729 119.366 59.260 106 HE1 PHE 17 HE1 PHE 17 52.429 121.396 61.865 107 HE2 PHE 17 HE2 PHE 17 49.160 121.803 59.111 108 HZ PHE 17 HZ PHE 17 51.008 122.819 60.414 109 H LEU 18 H LEU 18 48.724 119.208 63.452 110 HA LEU 18 HA LEU 18 45.841 119.071 62.587 111 1HB LEU 18 1HB LEU 18 46.797 118.744 65.078 112 2HB LEU 18 2HB LEU 18 46.754 120.507 65.048 113 HG LEU 18 HG LEU 18 44.366 120.396 64.321 114 1HD1 LEU 18 1HD1 LEU 18 44.099 118.309 63.284 115 2HD1 LEU 18 2HD1 LEU 18 43.315 118.057 64.844 116 3HD1 LEU 18 3HD1 LEU 18 44.949 117.453 64.570 117 1HD2 LEU 18 1HD2 LEU 18 45.299 120.352 66.801 118 2HD2 LEU 18 2HD2 LEU 18 44.579 118.741 66.815 119 3HD2 LEU 18 3HD2 LEU 18 43.573 120.153 66.496 120 H ALA 19 H ALA 19 46.473 120.308 60.718 121 HA ALA 19 HA ALA 19 47.539 123.022 60.812 122 1HB ALA 19 1HB ALA 19 47.218 121.181 58.927 123 2HB ALA 19 2HB ALA 19 47.197 122.900 58.533 124 3HB ALA 19 3HB ALA 19 45.680 122.015 58.701 125 H HIS 20 H HIS 20 44.231 121.676 60.874 126 HA HIS 20 HA HIS 20 42.909 124.213 60.523 127 1HB HIS 20 1HB HIS 20 42.084 121.527 61.659 128 2HB HIS 20 2HB HIS 20 40.945 122.854 61.429 129 HD1 HIS 20 HD1 HIS 20 42.828 120.236 59.591 130 HD2 HIS 20 HD2 HIS 20 40.541 123.592 58.651 131 HE1 HIS 20 HE1 HIS 20 42.308 120.079 57.117 132 H GLN 21 H GLN 21 44.333 122.670 63.315 133 HA GLN 21 HA GLN 21 43.151 124.818 65.052 134 1HB GLN 21 1HB GLN 21 42.564 122.282 65.321 135 2HB GLN 21 2HB GLN 21 44.173 122.162 66.034 136 1HG GLN 21 1HG GLN 21 42.635 122.563 67.841 137 2HG GLN 21 2HG GLN 21 43.524 124.065 67.577 138 1HE2 GLN 21 1HE2 GLN 21 42.261 125.911 67.256 139 2HE2 GLN 21 2HE2 GLN 21 40.614 125.898 66.847 140 H SER 22 H SER 22 45.641 125.065 63.499 141 HA SER 22 HA SER 22 47.454 125.700 65.740 142 1HB SER 22 1HB SER 22 47.839 123.307 65.199 143 2HB SER 22 2HB SER 22 48.197 123.755 63.533 144 HG SER 22 HG SER 22 49.949 124.958 64.287 145 H THR 23 H THR 23 48.970 127.301 65.164 146 HA THR 23 HA THR 23 48.897 128.262 62.323 147 HB THR 23 HB THR 23 47.636 129.738 63.845 148 HG1 THR 23 HG1 THR 23 48.538 131.500 63.063 149 1HG2 THR 23 1HG2 THR 23 49.143 129.043 65.871 150 2HG2 THR 23 2HG2 THR 23 48.493 130.675 65.805 151 3HG2 THR 23 3HG2 THR 23 50.164 130.374 65.338 152 HA PRO 24 HA PRO 24 53.165 127.034 63.329 153 1HB PRO 24 1HB PRO 24 53.977 126.699 60.743 154 2HB PRO 24 2HB PRO 24 53.115 125.448 61.661 155 1HG PRO 24 1HG PRO 24 52.068 127.365 59.641 156 2HG PRO 24 2HG PRO 24 51.687 125.651 59.878 157 1HD PRO 24 1HD PRO 24 50.069 127.647 60.727 158 2HD PRO 24 2HD PRO 24 50.181 126.076 61.548 159 H ASP 25 H ASP 25 51.919 129.552 61.225 160 HA ASP 25 HA ASP 25 54.397 130.823 60.563 161 1HB ASP 25 1HB ASP 25 51.539 131.800 60.840 162 2HB ASP 25 2HB ASP 25 52.833 132.814 60.200 163 H GLU 26 H GLU 26 52.524 130.828 63.515 164 HA GLU 26 HA GLU 26 54.164 133.096 64.584 165 1HB GLU 26 1HB GLU 26 51.569 131.771 65.411 166 2HB GLU 26 2HB GLU 26 52.372 132.998 66.391 167 1HG GLU 26 1HG GLU 26 52.264 134.583 64.502 168 2HG GLU 26 2HG GLU 26 51.457 133.360 63.521 169 H GLY 27 H GLY 27 54.947 130.116 64.275 170 1HA GLY 27 1HA GLY 27 56.296 128.647 65.512 171 2HA GLY 27 2HA GLY 27 56.373 129.878 66.771 172 H ARG 28 H ARG 28 53.330 128.630 65.572 173 HA ARG 28 HA ARG 28 52.917 127.231 68.196 174 1HB ARG 28 1HB ARG 28 51.092 128.891 66.444 175 2HB ARG 28 2HB ARG 28 50.499 127.923 67.792 176 1HG ARG 28 1HG ARG 28 52.724 129.934 68.144 177 2HG ARG 28 2HG ARG 28 51.027 130.398 68.277 178 1HD ARG 28 1HD ARG 28 52.163 128.076 69.857 179 2HD ARG 28 2HD ARG 28 52.174 129.739 70.479 180 HE ARG 28 HE ARG 28 49.764 128.101 69.980 181 1HH1 ARG 28 2HH1 ARG 28 50.682 129.992 72.333 182 2HH1 ARG 28 1HH1 ARG 28 49.459 131.212 72.202 183 1HH2 ARG 28 1HH2 ARG 28 48.394 130.182 69.067 184 2HH2 ARG 28 2HH2 ARG 28 48.164 131.319 70.353 185 H TYR 29 H TYR 29 53.451 125.129 67.376 186 HA TYR 29 HA TYR 29 51.802 124.103 65.091 187 1HB TYR 29 1HB TYR 29 54.245 122.965 66.501 188 2HB TYR 29 2HB TYR 29 53.508 122.332 65.033 189 HD1 TYR 29 HD1 TYR 29 55.343 125.216 66.476 190 HD2 TYR 29 HD2 TYR 29 53.945 123.312 62.889 191 HE1 TYR 29 HE1 TYR 29 56.744 126.746 65.117 192 HE2 TYR 29 HE2 TYR 29 55.344 124.845 61.531 193 HH TYR 29 HH TYR 29 56.327 127.311 61.972 194 H ALA 30 H ALA 30 50.151 122.698 65.581 195 HA ALA 30 HA ALA 30 50.101 121.586 68.360 196 1HB ALA 30 1HB ALA 30 47.607 121.858 66.745 197 2HB ALA 30 2HB ALA 30 48.387 123.348 67.276 198 3HB ALA 30 3HB ALA 30 47.865 122.153 68.464 199 H PHE 31 H PHE 31 50.365 119.393 68.412 200 HA PHE 31 HA PHE 31 49.484 117.767 66.046 201 1HB PHE 31 1HB PHE 31 51.705 117.481 68.082 202 2HB PHE 31 2HB PHE 31 51.213 116.145 67.044 203 HD1 PHE 31 HD1 PHE 31 52.646 119.564 67.089 204 HD2 PHE 31 HD2 PHE 31 51.754 116.103 64.706 205 HE1 PHE 31 HE1 PHE 31 54.054 120.460 65.256 206 HE2 PHE 31 HE2 PHE 31 53.159 117.003 62.872 207 HZ PHE 31 HZ PHE 31 54.310 119.182 63.147 208 H ALA 32 H ALA 32 48.000 116.095 66.468 209 HA ALA 32 HA ALA 32 47.191 115.685 69.327 210 1HB ALA 32 1HB ALA 32 45.797 115.764 66.664 211 2HB ALA 32 2HB ALA 32 45.313 116.500 68.192 212 3HB ALA 32 3HB ALA 32 45.112 114.765 67.947 213 H TYR 33 H TYR 33 47.550 113.594 70.114 214 HA TYR 33 HA TYR 33 48.109 111.483 68.060 215 1HB TYR 33 1HB TYR 33 49.981 110.744 69.384 216 2HB TYR 33 2HB TYR 33 50.128 112.483 69.164 217 HD1 TYR 33 HD1 TYR 33 49.999 109.808 71.521 218 HD2 TYR 33 HD2 TYR 33 49.221 114.004 71.077 219 HE1 TYR 33 HE1 TYR 33 50.120 110.086 73.979 220 HE2 TYR 33 HE2 TYR 33 49.332 114.279 73.537 221 HH TYR 33 HH TYR 33 50.726 112.253 75.549 222 H SER 34 H SER 34 47.332 109.412 68.496 223 HA SER 34 HA SER 34 45.412 109.191 70.779 224 1HB SER 34 1HB SER 34 44.427 108.872 68.609 225 2HB SER 34 2HB SER 34 45.747 107.824 68.095 226 HG SER 34 HG SER 34 43.493 107.254 69.530 227 H ILE 35 H ILE 35 45.664 107.544 72.286 228 HA ILE 35 HA ILE 35 48.220 105.965 72.184 229 HB ILE 35 HB ILE 35 46.324 106.783 74.401 230 1HG1 ILE 35 1HG1 ILE 35 47.618 108.646 73.405 231 2HG1 ILE 35 2HG1 ILE 35 48.156 108.302 75.047 232 1HG2 ILE 35 1HG2 ILE 35 48.604 106.080 75.667 233 2HG2 ILE 35 2HG2 ILE 35 48.678 104.960 74.308 234 3HG2 ILE 35 3HG2 ILE 35 47.284 104.942 75.388 235 1HD1 ILE 35 1HD1 ILE 35 49.729 106.633 73.432 236 2HD1 ILE 35 2HD1 ILE 35 50.249 108.123 74.217 237 3HD1 ILE 35 3HD1 ILE 35 49.656 108.161 72.557 238 H ARG 36 H ARG 36 48.136 103.829 71.964 239 HA ARG 36 HA ARG 36 45.538 102.384 72.409 240 1HB ARG 36 1HB ARG 36 47.777 102.018 70.397 241 2HB ARG 36 2HB ARG 36 46.483 100.842 70.618 242 1HG ARG 36 1HG ARG 36 44.811 102.578 70.100 243 2HG ARG 36 2HG ARG 36 46.102 103.756 69.874 244 1HD ARG 36 1HD ARG 36 45.379 102.849 67.690 245 2HD ARG 36 2HD ARG 36 47.037 102.324 68.043 246 HE ARG 36 HE ARG 36 46.230 100.114 68.362 247 1HH1 ARG 36 1HH2 ARG 36 44.097 100.995 66.353 248 2HH1 ARG 36 2HH2 ARG 36 42.656 100.449 67.145 249 1HH2 ARG 36 2HH1 ARG 36 44.192 100.020 70.223 250 2HH2 ARG 36 1HH1 ARG 36 42.709 99.898 69.336 251 H ILE 37 H ILE 37 45.995 101.691 74.527 252 HA ILE 37 HA ILE 37 48.561 100.325 75.141 253 HB ILE 37 HB ILE 37 46.098 100.958 76.800 254 1HG1 ILE 37 1HG1 ILE 37 48.771 102.389 76.748 255 2HG1 ILE 37 2HG1 ILE 37 47.376 102.930 75.813 256 1HG2 ILE 37 1HG2 ILE 37 48.895 100.385 77.786 257 2HG2 ILE 37 2HG2 ILE 37 47.717 99.093 77.555 258 3HG2 ILE 37 3HG2 ILE 37 47.390 100.389 78.706 259 1HD1 ILE 37 1HD1 ILE 37 47.331 102.506 78.813 260 2HD1 ILE 37 2HD1 ILE 37 46.064 103.234 77.825 261 3HD1 ILE 37 3HD1 ILE 37 47.601 104.070 78.045 262 H GLN 38 H GLN 38 48.679 98.181 74.618 263 HA GLN 38 HA GLN 38 46.221 96.483 74.954 264 1HB GLN 38 1HB GLN 38 47.013 96.784 72.609 265 2HB GLN 38 2HB GLN 38 48.601 96.179 73.084 266 1HG GLN 38 1HG GLN 38 47.587 94.031 73.754 267 2HG GLN 38 2HG GLN 38 45.999 94.632 73.275 268 1HE2 GLN 38 1HE2 GLN 38 49.138 93.547 72.034 269 2HE2 GLN 38 2HE2 GLN 38 48.649 93.418 70.414 270 H ASN 39 H ASN 39 46.402 94.755 76.277 271 HA ASN 39 HA ASN 39 48.905 94.483 77.810 272 1HB ASN 39 1HB ASN 39 46.652 94.653 78.877 273 2HB ASN 39 2HB ASN 39 46.208 93.121 78.125 274 1HD2 ASN 39 1HD2 ASN 39 46.375 93.588 81.024 275 2HD2 ASN 39 2HD2 ASN 39 47.583 92.553 81.618 276 H ALA 40 H ALA 40 50.419 93.020 77.076 277 HA ALA 40 HA ALA 40 49.463 90.556 75.645 278 1HB ALA 40 1HB ALA 40 50.824 92.143 74.314 279 2HB ALA 40 2HB ALA 40 51.703 90.637 74.581 280 3HB ALA 40 3HB ALA 40 52.097 92.069 75.532 281 H GLY 41 H GLY 41 50.288 91.385 78.675 282 1HA GLY 41 1HA GLY 41 52.328 89.342 79.202 283 2HA GLY 41 2HA GLY 41 51.509 90.329 80.415 284 H ALA 42 H ALA 42 51.565 87.924 81.325 285 HA ALA 42 HA ALA 42 49.267 86.349 80.312 286 1HB ALA 42 1HB ALA 42 50.278 84.543 81.479 287 2HB ALA 42 2HB ALA 42 51.173 85.632 82.539 288 3HB ALA 42 3HB ALA 42 51.636 85.472 80.845 289 H VAL 43 H VAL 43 50.346 88.207 83.072 290 HA VAL 43 HA VAL 43 47.831 87.576 84.567 291 HB VAL 43 HB VAL 43 50.491 88.827 85.364 292 1HG1 VAL 43 1HG1 VAL 43 48.262 87.911 87.195 293 2HG1 VAL 43 2HG1 VAL 43 48.471 89.590 86.700 294 3HG1 VAL 43 3HG1 VAL 43 49.728 88.785 87.638 295 1HG2 VAL 43 1HG2 VAL 43 49.308 86.127 86.077 296 2HG2 VAL 43 2HG2 VAL 43 50.918 86.716 86.488 297 3HG2 VAL 43 3HG2 VAL 43 50.506 86.378 84.807 298 HA PRO 44 HA PRO 44 46.074 91.441 83.399 299 1HB PRO 44 1HB PRO 44 44.788 92.144 85.720 300 2HB PRO 44 2HB PRO 44 44.157 90.947 84.568 301 1HG PRO 44 1HG PRO 44 45.713 90.504 87.081 302 2HG PRO 44 2HG PRO 44 44.249 89.682 86.507 303 1HD PRO 44 1HD PRO 44 46.623 88.537 86.223 304 2HD PRO 44 2HD PRO 44 45.411 88.427 84.933 305 H ALA 45 H ALA 45 46.659 93.612 83.552 306 HA ALA 45 HA ALA 45 48.493 94.428 85.788 307 1HB ALA 45 1HB ALA 45 49.796 95.571 83.906 308 2HB ALA 45 2HB ALA 45 48.836 94.598 82.791 309 3HB ALA 45 3HB ALA 45 49.895 93.810 83.961 310 H ARG 46 H ARG 46 48.432 96.620 86.296 311 HA ARG 46 HA ARG 46 46.322 98.288 84.954 312 1HB ARG 46 1HB ARG 46 45.621 97.400 87.143 313 2HB ARG 46 2HB ARG 46 47.100 98.008 87.882 314 1HG ARG 46 1HG ARG 46 46.426 100.259 87.667 315 2HG ARG 46 2HG ARG 46 45.202 99.871 86.458 316 1HD ARG 46 1HD ARG 46 43.704 99.019 88.051 317 2HD ARG 46 2HD ARG 46 44.993 98.703 89.230 318 HE ARG 46 HE ARG 46 43.767 101.335 88.680 319 1HH1 ARG 46 2HH1 ARG 46 44.033 100.452 91.451 320 2HH1 ARG 46 1HH1 ARG 46 45.478 101.240 91.991 321 1HH2 ARG 46 1HH2 ARG 46 46.611 101.936 88.789 322 2HH2 ARG 46 2HH2 ARG 46 46.938 102.080 90.483 323 H LEU 47 H LEU 47 46.801 100.572 84.877 324 HA LEU 47 HA LEU 47 49.720 101.161 84.952 325 1HB LEU 47 1HB LEU 47 48.184 101.540 82.950 326 2HB LEU 47 2HB LEU 47 47.417 102.819 83.888 327 HG LEU 47 HG LEU 47 50.406 102.778 83.514 328 1HD1 LEU 47 1HD1 LEU 47 49.859 104.479 81.629 329 2HD1 LEU 47 2HD1 LEU 47 48.272 103.710 81.595 330 3HD1 LEU 47 3HD1 LEU 47 49.720 102.762 81.255 331 1HD2 LEU 47 1HD2 LEU 47 48.281 104.755 84.308 332 2HD2 LEU 47 2HD2 LEU 47 49.795 105.336 83.616 333 3HD2 LEU 47 3HD2 LEU 47 49.812 104.391 85.104 334 H VAL 48 H VAL 48 50.459 102.098 86.812 335 HA VAL 48 HA VAL 48 48.572 103.695 88.468 336 HB VAL 48 HB VAL 48 51.329 102.532 89.014 337 1HG1 VAL 48 1HG1 VAL 48 49.309 103.766 90.914 338 2HG1 VAL 48 2HG1 VAL 48 50.811 104.529 90.396 339 3HG1 VAL 48 3HG1 VAL 48 50.859 103.059 91.368 340 1HG2 VAL 48 1HG2 VAL 48 49.043 101.118 88.701 341 2HG2 VAL 48 2HG2 VAL 48 48.877 101.565 90.399 342 3HG2 VAL 48 3HG2 VAL 48 50.293 100.664 89.858 343 H ALA 49 H ALA 49 51.566 103.980 86.594 344 HA ALA 49 HA ALA 49 51.409 106.929 87.040 345 1HB ALA 49 1HB ALA 49 53.511 105.017 87.826 346 2HB ALA 49 2HB ALA 49 53.132 106.607 88.488 347 3HB ALA 49 3HB ALA 49 54.110 106.472 87.027 348 H ARG 50 H ARG 50 52.707 108.161 85.467 349 HA ARG 50 HA ARG 50 53.411 106.787 82.893 350 1HB ARG 50 1HB ARG 50 51.959 108.331 81.685 351 2HB ARG 50 2HB ARG 50 51.002 107.457 82.878 352 1HG ARG 50 1HG ARG 50 51.416 109.447 84.443 353 2HG ARG 50 2HG ARG 50 51.997 110.309 83.019 354 1HD ARG 50 1HD ARG 50 49.730 109.509 81.944 355 2HD ARG 50 2HD ARG 50 49.216 109.339 83.634 356 HE ARG 50 HE ARG 50 49.835 111.731 83.962 357 1HH1 ARG 50 1HH2 ARG 50 48.061 110.929 81.346 358 2HH1 ARG 50 2HH2 ARG 50 48.503 112.277 80.353 359 1HH2 ARG 50 2HH1 ARG 50 51.085 113.299 82.431 360 2HH2 ARG 50 1HH1 ARG 50 50.215 113.620 80.968 361 H HIS 51 H HIS 51 55.086 107.758 81.851 362 HA HIS 51 HA HIS 51 55.981 110.481 82.687 363 1HB HIS 51 1HB HIS 51 57.088 108.804 84.133 364 2HB HIS 51 2HB HIS 51 57.652 107.942 82.702 365 HD1 HIS 51 HD1 HIS 51 60.137 108.423 83.503 366 HD2 HIS 51 HD2 HIS 51 57.925 111.819 82.528 367 HE1 HIS 51 HE1 HIS 51 61.800 110.320 83.267 368 H TRP 52 H TRP 52 56.048 111.561 80.786 369 HA TRP 52 HA TRP 52 56.845 110.140 78.277 370 1HB TRP 52 1HB TRP 52 55.275 112.579 79.047 371 2HB TRP 52 2HB TRP 52 55.971 112.485 77.430 372 HD1 TRP 52 HD1 TRP 52 53.073 111.330 79.440 373 HE1 TRP 52 HE1 TRP 52 51.668 109.643 78.086 374 HE3 TRP 52 HE3 TRP 52 56.281 110.409 75.576 375 HZ2 TRP 52 HZ2 TRP 52 51.880 108.108 75.678 376 HZ3 TRP 52 HZ3 TRP 52 55.657 108.831 73.769 377 HH2 TRP 52 HH2 TRP 52 53.462 107.682 73.816 378 H GLN 53 H GLN 53 58.741 110.630 77.273 379 HA GLN 53 HA GLN 53 60.403 112.891 78.346 380 1HB GLN 53 1HB GLN 53 61.191 110.551 78.732 381 2HB GLN 53 2HB GLN 53 61.212 110.299 76.986 382 1HG GLN 53 1HG GLN 53 62.898 112.003 76.689 383 2HG GLN 53 2HG GLN 53 62.774 112.489 78.380 384 1HE2 GLN 53 1HE2 GLN 53 65.248 111.569 77.158 385 2HE2 GLN 53 2HE2 GLN 53 65.686 110.119 77.925 386 H ILE 54 H ILE 54 59.242 114.299 76.716 387 HA ILE 54 HA ILE 54 59.634 113.682 73.863 388 HB ILE 54 HB ILE 54 58.202 115.563 73.509 389 1HG1 ILE 54 1HG1 ILE 54 58.574 116.349 76.417 390 2HG1 ILE 54 2HG1 ILE 54 59.388 117.136 75.068 391 1HG2 ILE 54 1HG2 ILE 54 57.450 113.437 75.067 392 2HG2 ILE 54 2HG2 ILE 54 56.342 114.641 74.412 393 3HG2 ILE 54 3HG2 ILE 54 56.941 114.801 76.062 394 1HD1 ILE 54 1HD1 ILE 54 57.131 117.600 74.063 395 2HD1 ILE 54 2HD1 ILE 54 57.426 118.437 75.588 396 3HD1 ILE 54 3HD1 ILE 54 56.406 116.999 75.554 397 H THR 55 H THR 55 61.274 114.401 72.623 398 HA THR 55 HA THR 55 63.005 116.637 73.643 399 HB THR 55 HB THR 55 63.724 114.183 71.973 400 HG1 THR 55 HG1 THR 55 64.380 113.302 73.781 401 1HG2 THR 55 1HG2 THR 55 65.132 116.692 72.564 402 2HG2 THR 55 2HG2 THR 55 65.458 115.480 71.325 403 3HG2 THR 55 3HG2 THR 55 66.068 115.251 72.963 404 H ASP 56 H ASP 56 63.140 118.355 72.346 405 HA ASP 56 HA ASP 56 61.672 118.275 69.809 406 1HB ASP 56 1HB ASP 56 61.503 120.053 71.631 407 2HB ASP 56 2HB ASP 56 63.099 120.602 71.120 408 H GLY 57 H GLY 57 62.667 119.516 67.929 409 1HA GLY 57 1HA GLY 57 65.031 118.233 67.021 410 2HA GLY 57 2HA GLY 57 64.287 119.628 66.252 411 H ASN 58 H ASN 58 64.869 120.818 69.260 412 HA ASN 58 HA ASN 58 67.543 121.843 68.419 413 1HB ASN 58 1HB ASN 58 65.491 122.855 70.423 414 2HB ASN 58 2HB ASN 58 66.990 123.686 70.005 415 1HD2 ASN 58 1HD2 ASN 58 63.828 124.003 69.407 416 2HD2 ASN 58 2HD2 ASN 58 63.849 124.511 67.788 417 H GLY 59 H GLY 59 66.495 119.353 70.232 418 1HA GLY 59 1HA GLY 59 67.929 118.035 71.637 419 2HA GLY 59 2HA GLY 59 68.890 119.473 71.964 420 H ARG 60 H ARG 60 66.400 121.058 72.602 421 HA ARG 60 HA ARG 60 66.362 120.664 75.436 422 1HB ARG 60 1HB ARG 60 65.063 122.302 73.385 423 2HB ARG 60 2HB ARG 60 63.970 121.937 74.718 424 1HG ARG 60 1HG ARG 60 64.968 123.630 75.833 425 2HG ARG 60 2HG ARG 60 66.361 122.566 76.004 426 1HD ARG 60 1HD ARG 60 67.028 124.747 75.022 427 2HD ARG 60 2HD ARG 60 67.267 123.439 73.848 428 HE ARG 60 HE ARG 60 64.648 124.278 73.413 429 1HH1 ARG 60 1HH2 ARG 60 66.662 126.677 74.342 430 2HH1 ARG 60 2HH2 ARG 60 66.758 127.487 72.815 431 1HH2 ARG 60 2HH1 ARG 60 65.240 124.915 71.055 432 2HH2 ARG 60 1HH1 ARG 60 65.952 126.490 70.953 433 H THR 61 H THR 61 64.956 119.466 76.763 434 HA THR 61 HA THR 61 62.863 117.849 75.362 435 HB THR 61 HB THR 61 63.595 115.930 76.749 436 HG1 THR 61 HG1 THR 61 65.659 117.674 77.599 437 1HG2 THR 61 1HG2 THR 61 66.157 116.965 75.620 438 2HG2 THR 61 2HG2 THR 61 64.789 116.789 74.523 439 3HG2 THR 61 3HG2 THR 61 65.393 115.390 75.411 440 H GLU 62 H GLU 62 60.995 117.355 76.669 441 HA GLU 62 HA GLU 62 60.838 118.842 79.272 442 1HB GLU 62 1HB GLU 62 58.851 118.434 77.019 443 2HB GLU 62 2HB GLU 62 58.396 119.093 78.591 444 1HG GLU 62 1HG GLU 62 60.037 120.914 78.306 445 2HG GLU 62 2HG GLU 62 60.490 120.259 76.733 446 H GLN 63 H GLN 63 60.539 117.462 80.954 447 HA GLN 63 HA GLN 63 59.481 114.709 80.447 448 1HB GLN 63 1HB GLN 63 61.050 116.051 82.661 449 2HB GLN 63 2HB GLN 63 60.472 114.387 82.759 450 1HG GLN 63 1HG GLN 63 61.714 113.830 80.699 451 2HG GLN 63 2HG GLN 63 62.295 115.493 80.602 452 1HE2 GLN 63 1HE2 GLN 63 62.114 112.963 83.185 453 2HE2 GLN 63 2HE2 GLN 63 63.704 113.204 83.728 454 H VAL 64 H VAL 64 57.533 114.089 81.303 455 HA VAL 64 HA VAL 64 56.204 115.902 83.294 456 HB VAL 64 HB VAL 64 55.004 114.447 80.907 457 1HG1 VAL 64 1HG1 VAL 64 53.822 116.083 83.145 458 2HG1 VAL 64 2HG1 VAL 64 53.277 114.532 82.503 459 3HG1 VAL 64 3HG1 VAL 64 53.027 116.009 81.571 460 1HG2 VAL 64 1HG2 VAL 64 54.601 116.778 80.079 461 2HG2 VAL 64 2HG2 VAL 64 56.314 116.385 80.213 462 3HG2 VAL 64 3HG2 VAL 64 55.542 117.386 81.441 463 H ASP 65 H ASP 65 55.471 114.876 85.066 464 HA ASP 65 HA ASP 65 55.257 111.877 85.036 465 1HB ASP 65 1HB ASP 65 57.266 112.903 86.180 466 2HB ASP 65 2HB ASP 65 56.151 113.685 87.299 467 H GLY 66 H GLY 66 53.249 111.161 85.627 468 1HA GLY 66 1HA GLY 66 51.672 112.619 87.636 469 2HA GLY 66 2HA GLY 66 50.948 112.541 86.027 470 H GLU 67 H GLU 67 49.501 111.317 87.947 471 HA GLU 67 HA GLU 67 50.148 108.397 87.692 472 1HB GLU 67 1HB GLU 67 48.662 110.030 89.774 473 2HB GLU 67 2HB GLU 67 48.709 108.266 89.777 474 1HG GLU 67 1HG GLU 67 51.174 108.327 89.896 475 2HG GLU 67 2HG GLU 67 51.130 110.089 89.896 476 H GLY 68 H GLY 68 48.233 106.975 87.410 477 1HA GLY 68 1HA GLY 68 46.325 106.374 86.195 478 2HA GLY 68 2HA GLY 68 45.582 107.725 87.043 479 H VAL 69 H VAL 69 46.946 106.651 84.008 480 HA VAL 69 HA VAL 69 47.315 108.966 82.480 481 HB VAL 69 HB VAL 69 46.447 107.535 80.596 482 1HG1 VAL 69 1HG1 VAL 69 48.762 107.337 81.190 483 2HG1 VAL 69 2HG1 VAL 69 48.147 105.695 80.992 484 3HG1 VAL 69 3HG1 VAL 69 48.379 106.361 82.608 485 1HG2 VAL 69 1HG2 VAL 69 46.205 105.161 82.326 486 2HG2 VAL 69 2HG2 VAL 69 45.209 105.664 80.961 487 3HG2 VAL 69 3HG2 VAL 69 44.919 106.342 82.561 488 H VAL 70 H VAL 70 46.135 110.561 81.746 489 HA VAL 70 HA VAL 70 44.370 112.087 81.694 490 HB VAL 70 HB VAL 70 42.631 111.352 80.151 491 1HG1 VAL 70 1HG1 VAL 70 44.453 109.753 78.735 492 2HG1 VAL 70 2HG1 VAL 70 45.453 110.817 79.723 493 3HG1 VAL 70 3HG1 VAL 70 44.262 111.503 78.619 494 1HG2 VAL 70 1HG2 VAL 70 42.244 109.035 79.597 495 2HG2 VAL 70 2HG2 VAL 70 42.154 109.196 81.347 496 3HG2 VAL 70 3HG2 VAL 70 43.597 108.514 80.600 497 H GLY 71 H GLY 71 44.546 110.818 84.222 498 1HA GLY 71 1HA GLY 71 43.281 111.070 86.195 499 2HA GLY 71 2HA GLY 71 41.867 111.421 85.212 500 H GLU 72 H GLU 72 43.574 108.461 84.472 501 HA GLU 72 HA GLU 72 41.748 106.919 86.248 502 1HB GLU 72 1HB GLU 72 40.881 105.628 84.329 503 2HB GLU 72 2HB GLU 72 40.493 107.341 84.190 504 1HG GLU 72 1HG GLU 72 42.074 107.689 82.508 505 2HG GLU 72 2HG GLU 72 42.989 106.245 82.923 506 H GLN 73 H GLN 73 42.311 104.782 86.582 507 HA GLN 73 HA GLN 73 45.065 103.912 85.717 508 1HB GLN 73 1HB GLN 73 43.465 103.587 88.276 509 2HB GLN 73 2HB GLN 73 44.981 102.743 87.955 510 1HG GLN 73 1HG GLN 73 46.197 104.814 87.803 511 2HG GLN 73 2HG GLN 73 44.705 105.755 87.841 512 1HE2 GLN 73 1HE2 GLN 73 43.518 105.849 89.914 513 2HE2 GLN 73 2HE2 GLN 73 44.303 105.482 91.373 514 HA PRO 74 HA PRO 74 41.593 101.160 84.096 515 1HB PRO 74 1HB PRO 74 42.946 100.388 81.853 516 2HB PRO 74 2HB PRO 74 41.924 101.839 81.928 517 1HG PRO 74 1HG PRO 74 44.885 101.598 82.139 518 2HG PRO 74 2HG PRO 74 43.909 102.801 81.281 519 1HD PRO 74 1HD PRO 74 45.056 103.299 83.674 520 2HD PRO 74 2HD PRO 74 43.518 104.036 83.175 521 H TRP 75 H TRP 75 41.517 98.970 84.441 522 HA TRP 75 HA TRP 75 43.999 97.587 85.365 523 1HB TRP 75 1HB TRP 75 41.739 97.797 86.643 524 2HB TRP 75 2HB TRP 75 41.136 96.612 85.487 525 HD1 TRP 75 HD1 TRP 75 43.935 97.018 88.106 526 HE1 TRP 75 HE1 TRP 75 44.545 94.684 89.010 527 HE3 TRP 75 HE3 TRP 75 40.976 94.117 85.122 528 HZ2 TRP 75 HZ2 TRP 75 43.866 91.949 88.535 529 HZ3 TRP 75 HZ3 TRP 75 40.975 91.651 85.374 530 HH2 TRP 75 HH2 TRP 75 42.415 90.564 87.074 531 H LEU 76 H LEU 76 44.595 97.541 82.961 532 HA LEU 76 HA LEU 76 43.106 96.171 80.977 533 1HB LEU 76 1HB LEU 76 45.939 96.931 81.481 534 2HB LEU 76 2HB LEU 76 45.642 95.757 80.199 535 HG LEU 76 HG LEU 76 44.247 98.439 80.426 536 1HD1 LEU 76 1HD1 LEU 76 45.659 99.034 78.459 537 2HD1 LEU 76 2HD1 LEU 76 46.528 97.513 78.657 538 3HD1 LEU 76 3HD1 LEU 76 46.614 98.748 79.913 539 1HD2 LEU 76 1HD2 LEU 76 42.791 97.205 79.127 540 2HD2 LEU 76 2HD2 LEU 76 44.045 96.078 78.609 541 3HD2 LEU 76 3HD2 LEU 76 43.934 97.675 77.869 542 H ARG 77 H ARG 77 42.479 94.088 80.924 543 HA ARG 77 HA ARG 77 43.809 92.021 82.556 544 1HB ARG 77 1HB ARG 77 41.371 92.273 80.797 545 2HB ARG 77 2HB ARG 77 41.929 90.678 81.301 546 1HG ARG 77 1HG ARG 77 41.444 91.056 83.530 547 2HG ARG 77 2HG ARG 77 41.664 92.800 83.390 548 1HD ARG 77 1HD ARG 77 39.312 92.553 83.604 549 2HD ARG 77 2HD ARG 77 39.546 92.699 81.851 550 HE ARG 77 HE ARG 77 39.678 90.104 81.922 551 1HH1 ARG 77 2HH1 ARG 77 39.027 90.369 84.969 552 2HH1 ARG 77 1HH1 ARG 77 37.362 89.894 84.955 553 1HH2 ARG 77 1HH2 ARG 77 37.023 90.214 81.519 554 2HH2 ARG 77 2HH2 ARG 77 36.227 89.806 83.002 555 HA PRO 78 HA PRO 78 46.479 90.499 79.416 556 1HB PRO 78 1HB PRO 78 45.983 87.805 79.301 557 2HB PRO 78 2HB PRO 78 46.933 88.557 80.600 558 1HG PRO 78 1HG PRO 78 44.079 87.709 80.594 559 2HG PRO 78 2HG PRO 78 45.301 87.549 81.866 560 1HD PRO 78 1HD PRO 78 43.395 89.470 81.903 561 2HD PRO 78 2HD PRO 78 45.010 89.703 82.605 562 H GLY 79 H GLY 79 46.222 90.752 77.288 563 1HA GLY 79 1HA GLY 79 45.374 90.279 75.101 564 2HA GLY 79 2HA GLY 79 44.042 89.393 75.837 565 H GLU 80 H GLU 80 43.786 91.984 77.659 566 HA GLU 80 HA GLU 80 41.796 93.272 75.897 567 1HB GLU 80 1HB GLU 80 41.744 92.613 78.475 568 2HB GLU 80 2HB GLU 80 42.504 94.194 78.664 569 1HG GLU 80 1HG GLU 80 40.093 94.467 78.838 570 2HG GLU 80 2HG GLU 80 40.636 95.193 77.325 571 H ALA 81 H ALA 81 41.762 95.695 75.759 572 HA ALA 81 HA ALA 81 44.413 97.007 76.051 573 1HB ALA 81 1HB ALA 81 44.335 95.960 73.817 574 2HB ALA 81 2HB ALA 81 44.299 97.718 73.673 575 3HB ALA 81 3HB ALA 81 42.814 96.786 73.478 576 H PHE 82 H PHE 82 44.240 99.332 76.109 577 HA PHE 82 HA PHE 82 41.440 100.389 76.362 578 1HB PHE 82 1HB PHE 82 42.657 100.203 78.504 579 2HB PHE 82 2HB PHE 82 43.998 101.129 77.831 580 HD1 PHE 82 HD1 PHE 82 43.832 103.531 77.487 581 HD2 PHE 82 HD2 PHE 82 40.495 101.279 78.984 582 HE1 PHE 82 HE1 PHE 82 42.691 105.640 78.121 583 HE2 PHE 82 HE2 PHE 82 39.355 103.388 79.617 584 HZ PHE 82 HZ PHE 82 40.453 105.568 79.185 585 H HIS 83 H HIS 83 41.113 102.524 75.407 586 HA HIS 83 HA HIS 83 43.441 103.632 73.896 587 1HB HIS 83 1HB HIS 83 42.130 102.114 72.459 588 2HB HIS 83 2HB HIS 83 40.661 103.006 72.843 589 HD1 HIS 83 HD1 HIS 83 42.834 102.711 70.153 590 HD2 HIS 83 HD2 HIS 83 41.392 106.040 72.206 591 HE1 HIS 83 HE1 HIS 83 43.102 104.686 68.592 592 H TYR 84 H TYR 84 43.491 105.871 73.894 593 HA TYR 84 HA TYR 84 41.042 107.431 74.420 594 1HB TYR 84 1HB TYR 84 41.968 108.501 76.412 595 2HB TYR 84 2HB TYR 84 41.941 106.758 76.648 596 HD1 TYR 84 HD1 TYR 84 44.066 109.714 76.139 597 HD2 TYR 84 HD2 TYR 84 44.017 105.450 76.643 598 HE1 TYR 84 HE1 TYR 84 46.500 109.742 76.618 599 HE2 TYR 84 HE2 TYR 84 46.450 105.476 77.117 600 HH TYR 84 HH TYR 84 48.107 107.954 78.061 601 H THR 85 H THR 85 41.427 109.770 74.027 602 HA THR 85 HA THR 85 43.655 110.173 72.076 603 HB THR 85 HB THR 85 41.098 111.729 72.575 604 HG1 THR 85 HG1 THR 85 40.200 110.211 71.469 605 1HG2 THR 85 1HG2 THR 85 43.007 111.749 70.221 606 2HG2 THR 85 2HG2 THR 85 42.931 112.998 71.464 607 3HG2 THR 85 3HG2 THR 85 41.553 112.731 70.396 608 H SER 86 H SER 86 45.191 111.755 72.409 609 HA SER 86 HA SER 86 44.902 113.480 74.848 610 1HB SER 86 1HB SER 86 46.509 111.744 75.232 611 2HB SER 86 2HB SER 86 47.269 112.020 73.665 612 HG SER 86 HG SER 86 47.850 113.151 75.972 613 H GLY 87 H GLY 87 46.419 115.518 74.618 614 1HA GLY 87 1HA GLY 87 46.875 116.285 71.784 615 2HA GLY 87 2HA GLY 87 45.851 117.326 72.769 616 H VAL 88 H VAL 88 48.882 117.099 71.624 617 HA VAL 88 HA VAL 88 50.056 118.614 73.942 618 HB VAL 88 HB VAL 88 51.304 116.494 72.151 619 1HG1 VAL 88 1HG1 VAL 88 52.523 118.406 74.150 620 2HG1 VAL 88 2HG1 VAL 88 53.039 118.082 72.495 621 3HG1 VAL 88 3HG1 VAL 88 53.293 116.870 73.751 622 1HG2 VAL 88 1HG2 VAL 88 49.806 116.053 74.327 623 2HG2 VAL 88 2HG2 VAL 88 51.333 116.406 75.136 624 3HG2 VAL 88 3HG2 VAL 88 51.234 115.082 73.974 625 H LEU 89 H LEU 89 51.405 120.372 73.321 626 HA LEU 89 HA LEU 89 51.139 121.171 70.452 627 1HB LEU 89 1HB LEU 89 50.084 122.542 72.276 628 2HB LEU 89 2HB LEU 89 51.696 122.844 72.922 629 HG LEU 89 HG LEU 89 52.253 123.658 70.509 630 1HD1 LEU 89 1HD1 LEU 89 49.382 124.439 70.371 631 2HD1 LEU 89 2HD1 LEU 89 49.776 122.777 69.929 632 3HD1 LEU 89 3HD1 LEU 89 50.525 124.121 69.066 633 1HD2 LEU 89 1HD2 LEU 89 52.234 125.192 72.370 634 2HD2 LEU 89 2HD2 LEU 89 50.472 125.161 72.446 635 3HD2 LEU 89 3HD2 LEU 89 51.282 125.930 71.081 636 H LEU 90 H LEU 90 53.005 121.796 69.312 637 HA LEU 90 HA LEU 90 55.624 121.430 70.734 638 1HB LEU 90 1HB LEU 90 54.688 120.715 67.943 639 2HB LEU 90 2HB LEU 90 56.384 120.662 68.426 640 HG LEU 90 HG LEU 90 54.192 119.187 69.905 641 1HD1 LEU 90 1HD1 LEU 90 56.153 117.700 68.246 642 2HD1 LEU 90 2HD1 LEU 90 54.911 118.584 67.359 643 3HD1 LEU 90 3HD1 LEU 90 54.449 117.365 68.547 644 1HD2 LEU 90 1HD2 LEU 90 57.221 119.143 69.960 645 2HD2 LEU 90 2HD2 LEU 90 56.232 117.885 70.703 646 3HD2 LEU 90 3HD2 LEU 90 56.127 119.547 71.282 647 H GLU 91 H GLU 91 57.254 122.999 70.259 648 HA GLU 91 HA GLU 91 56.344 125.590 69.321 649 1HB GLU 91 1HB GLU 91 58.084 125.025 71.098 650 2HB GLU 91 2HB GLU 91 59.176 124.616 69.774 651 1HG GLU 91 1HG GLU 91 59.615 126.908 70.362 652 2HG GLU 91 2HG GLU 91 58.741 126.925 68.830 653 H THR 92 H THR 92 57.988 122.862 67.824 654 HA THR 92 HA THR 92 58.251 124.479 65.310 655 HB THR 92 HB THR 92 60.234 123.038 64.849 656 HG1 THR 92 HG1 THR 92 59.808 122.103 67.488 657 1HG2 THR 92 1HG2 THR 92 60.538 124.164 67.625 658 2HG2 THR 92 2HG2 THR 92 60.272 125.228 66.244 659 3HG2 THR 92 3HG2 THR 92 61.694 124.185 66.293 660 H GLU 93 H GLU 93 58.322 122.962 63.328 661 HA GLU 93 HA GLU 93 55.952 121.219 63.426 662 1HB GLU 93 1HB GLU 93 56.571 122.962 61.671 663 2HB GLU 93 2HB GLU 93 57.802 121.828 61.115 664 1HG GLU 93 1HG GLU 93 56.136 120.151 60.618 665 2HG GLU 93 2HG GLU 93 54.868 121.118 61.371 666 H GLN 94 H GLN 94 58.972 120.507 64.400 667 HA GLN 94 HA GLN 94 58.806 117.740 63.320 668 1HB GLN 94 1HB GLN 94 61.161 119.640 63.260 669 2HB GLN 94 2HB GLN 94 61.335 117.904 63.002 670 1HG GLN 94 1HG GLN 94 59.746 118.020 61.117 671 2HG GLN 94 2HG GLN 94 59.574 119.758 61.370 672 1HE2 GLN 94 1HE2 GLN 94 60.857 118.021 59.103 673 2HE2 GLN 94 2HE2 GLN 94 62.369 118.755 58.867 674 H GLY 95 H GLY 95 59.682 116.152 64.859 675 1HA GLY 95 1HA GLY 95 61.312 116.790 67.083 676 2HA GLY 95 2HA GLY 95 59.646 116.970 67.616 677 H GLN 96 H GLN 96 61.361 115.137 68.756 678 HA GLN 96 HA GLN 96 60.311 112.470 67.816 679 1HB GLN 96 1HB GLN 96 62.835 113.159 69.362 680 2HB GLN 96 2HB GLN 96 62.384 111.564 68.762 681 1HG GLN 96 1HG GLN 96 62.302 112.716 66.429 682 2HG GLN 96 2HG GLN 96 63.252 113.987 67.203 683 1HE2 GLN 96 1HE2 GLN 96 63.927 111.697 65.163 684 2HE2 GLN 96 2HE2 GLN 96 65.338 111.015 65.815 685 H MET 97 H MET 97 58.958 111.483 69.317 686 HA MET 97 HA MET 97 59.118 112.431 72.163 687 1HB MET 97 1HB MET 97 57.164 113.272 70.905 688 2HB MET 97 2HB MET 97 56.720 111.618 70.488 689 1HG MET 97 1HG MET 97 56.480 111.091 72.903 690 2HG MET 97 2HG MET 97 56.865 112.767 73.289 691 1HE MET 97 1HE MET 97 55.957 114.600 72.242 692 2HE MET 97 2HE MET 97 54.599 114.715 73.358 693 3HE MET 97 3HE MET 97 54.317 114.834 71.623 694 H GLN 98 H GLN 98 59.827 110.770 73.461 695 HA GLN 98 HA GLN 98 58.835 107.988 72.926 696 1HB GLN 98 1HB GLN 98 61.229 108.402 72.262 697 2HB GLN 98 2HB GLN 98 61.559 108.900 73.920 698 1HG GLN 98 1HG GLN 98 60.849 106.684 74.736 699 2HG GLN 98 2HG GLN 98 60.519 106.179 73.078 700 1HE2 GLN 98 1HE2 GLN 98 62.507 104.927 74.835 701 2HE2 GLN 98 2HE2 GLN 98 64.024 105.157 74.109 702 H GLY 99 H GLY 99 58.376 106.820 74.944 703 1HA GLY 99 1HA GLY 99 58.979 108.108 77.503 704 2HA GLY 99 2HA GLY 99 57.281 108.247 77.061 705 H HIS 100 H HIS 100 57.487 106.954 79.280 706 HA HIS 100 HA HIS 100 57.176 104.079 78.548 707 1HB HIS 100 1HB HIS 100 58.675 105.259 80.913 708 2HB HIS 100 2HB HIS 100 58.386 103.540 80.673 709 HD1 HIS 100 HD1 HIS 100 60.044 106.449 78.844 710 HD2 HIS 100 HD2 HIS 100 60.334 102.302 79.154 711 HE1 HIS 100 HE1 HIS 100 62.070 105.768 77.485 712 H TYR 101 H TYR 101 55.720 102.927 79.978 713 HA TYR 101 HA TYR 101 53.916 104.718 81.562 714 1HB TYR 101 1HB TYR 101 53.494 102.397 79.703 715 2HB TYR 101 2HB TYR 101 52.319 102.664 80.985 716 HD1 TYR 101 HD1 TYR 101 52.244 105.637 81.151 717 HD2 TYR 101 HD2 TYR 101 52.416 103.041 77.728 718 HE1 TYR 101 HE1 TYR 101 51.156 107.382 79.772 719 HE2 TYR 101 HE2 TYR 101 51.325 104.792 76.352 720 HH TYR 101 HH TYR 101 49.618 106.982 77.185 721 H ASP 102 H ASP 102 53.833 104.184 83.796 722 HA ASP 102 HA ASP 102 55.214 101.745 84.729 723 1HB ASP 102 1HB ASP 102 53.710 103.994 86.123 724 2HB ASP 102 2HB ASP 102 54.661 102.757 86.945 725 H MET 103 H MET 103 54.224 99.885 84.906 726 HA MET 103 HA MET 103 51.237 99.792 85.254 727 1HB MET 103 1HB MET 103 53.172 97.937 83.832 728 2HB MET 103 2HB MET 103 51.432 97.676 83.963 729 1HG MET 103 1HG MET 103 52.645 100.163 82.733 730 2HG MET 103 2HG MET 103 52.186 98.745 81.791 731 1HE MET 103 1HE MET 103 50.135 97.744 81.590 732 2HE MET 103 2HE MET 103 48.538 98.450 81.828 733 3HE MET 103 3HE MET 103 49.380 97.718 83.191 734 H VAL 104 H VAL 104 50.490 97.852 86.457 735 HA VAL 104 HA VAL 104 52.543 96.592 88.222 736 HB VAL 104 HB VAL 104 50.923 97.054 90.146 737 1HG1 VAL 104 1HG1 VAL 104 52.253 99.395 88.760 738 2HG1 VAL 104 2HG1 VAL 104 53.027 98.272 89.878 739 3HG1 VAL 104 3HG1 VAL 104 51.763 99.360 90.454 740 1HG2 VAL 104 1HG2 VAL 104 48.975 97.655 88.691 741 2HG2 VAL 104 2HG2 VAL 104 49.836 99.111 88.194 742 3HG2 VAL 104 3HG2 VAL 104 49.351 98.904 89.877 743 H ALA 105 H ALA 105 52.155 94.415 88.358 744 HA ALA 105 HA ALA 105 49.797 93.181 87.135 745 1HB ALA 105 1HB ALA 105 52.321 92.375 88.518 746 2HB ALA 105 2HB ALA 105 51.676 91.835 86.968 747 3HB ALA 105 3HB ALA 105 51.017 91.190 88.471 748 H ASP 106 H ASP 106 48.451 91.595 88.419 749 HA ASP 106 HA ASP 106 47.083 92.904 90.561 750 1HB ASP 106 1HB ASP 106 46.278 91.084 88.982 751 2HB ASP 106 2HB ASP 106 47.184 89.933 89.965 752 H ASP 107 H ASP 107 49.822 90.676 90.562 753 HA ASP 107 HA ASP 107 49.698 89.977 93.366 754 1HB ASP 107 1HB ASP 107 50.900 88.877 91.343 755 2HB ASP 107 2HB ASP 107 52.181 90.047 91.657 756 H GLY 108 H GLY 108 50.615 92.901 91.795 757 1HA GLY 108 1HA GLY 108 51.113 94.891 93.086 758 2HA GLY 108 2HA GLY 108 51.796 93.866 94.346 759 H THR 109 H THR 109 53.042 92.503 91.651 760 HA THR 109 HA THR 109 55.694 93.456 92.044 761 HB THR 109 HB THR 109 54.534 92.336 89.483 762 HG1 THR 109 HG1 THR 109 54.578 90.365 90.427 763 1HG2 THR 109 1HG2 THR 109 56.924 93.030 89.492 764 2HG2 THR 109 2HG2 THR 109 56.730 91.290 89.276 765 3HG2 THR 109 3HG2 THR 109 57.209 91.935 90.846 766 H GLU 110 H GLU 110 56.834 95.164 91.093 767 HA GLU 110 HA GLU 110 55.230 97.105 89.506 768 1HB GLU 110 1HB GLU 110 57.821 97.229 91.070 769 2HB GLU 110 2HB GLU 110 57.208 98.589 90.129 770 1HG GLU 110 1HG GLU 110 55.114 98.555 91.434 771 2HG GLU 110 2HG GLU 110 55.726 97.197 92.380 772 H PHE 111 H PHE 111 55.804 97.700 87.435 773 HA PHE 111 HA PHE 111 58.395 97.079 86.237 774 1HB PHE 111 1HB PHE 111 57.636 95.353 84.735 775 2HB PHE 111 2HB PHE 111 57.116 94.872 86.345 776 HD1 PHE 111 HD1 PHE 111 56.065 95.854 83.007 777 HD2 PHE 111 HD2 PHE 111 54.717 95.209 87.033 778 HE1 PHE 111 HE1 PHE 111 53.721 95.758 82.205 779 HE2 PHE 111 HE2 PHE 111 52.373 95.115 86.229 780 HZ PHE 111 HZ PHE 111 51.874 95.387 83.818 781 H ILE 112 H ILE 112 58.688 98.233 84.322 782 HA ILE 112 HA ILE 112 56.571 100.244 83.742 783 HB ILE 112 HB ILE 112 59.513 100.073 83.008 784 1HG1 ILE 112 1HG1 ILE 112 58.160 101.806 85.096 785 2HG1 ILE 112 2HG1 ILE 112 58.949 100.275 85.475 786 1HG2 ILE 112 1HG2 ILE 112 58.425 101.513 81.437 787 2HG2 ILE 112 2HG2 ILE 112 59.157 102.574 82.641 788 3HG2 ILE 112 3HG2 ILE 112 57.425 102.241 82.695 789 1HD1 ILE 112 1HD1 ILE 112 60.395 102.449 83.963 790 2HD1 ILE 112 2HD1 ILE 112 61.081 101.082 84.842 791 3HD1 ILE 112 3HD1 ILE 112 60.358 102.427 85.726 792 H ALA 113 H ALA 113 56.031 100.748 81.539 793 HA ALA 113 HA ALA 113 56.555 98.551 79.564 794 1HB ALA 113 1HB ALA 113 54.265 98.431 80.239 795 2HB ALA 113 2HB ALA 113 54.234 99.323 78.718 796 3HB ALA 113 3HB ALA 113 54.099 100.187 80.250 797 HA PRO 114 HA PRO 114 58.467 102.348 77.877 798 1HB PRO 114 1HB PRO 114 59.788 101.092 75.854 799 2HB PRO 114 2HB PRO 114 60.420 101.178 77.511 800 1HG PRO 114 1HG PRO 114 59.005 98.946 76.139 801 2HG PRO 114 2HG PRO 114 60.401 98.898 77.229 802 1HD PRO 114 1HD PRO 114 57.897 98.289 78.041 803 2HD PRO 114 2HD PRO 114 59.104 99.026 79.117 804 H ILE 115 H ILE 115 57.881 103.601 76.235 805 HA ILE 115 HA ILE 115 55.807 102.590 74.305 806 HB ILE 115 HB ILE 115 56.451 105.412 75.236 807 1HG1 ILE 115 1HG1 ILE 115 54.105 103.678 76.061 808 2HG1 ILE 115 2HG1 ILE 115 55.571 103.827 77.032 809 1HG2 ILE 115 1HG2 ILE 115 54.717 106.132 73.921 810 2HG2 ILE 115 2HG2 ILE 115 53.817 104.626 74.099 811 3HG2 ILE 115 3HG2 ILE 115 55.172 104.717 72.974 812 1HD1 ILE 115 1HD1 ILE 115 55.192 106.380 76.850 813 2HD1 ILE 115 2HD1 ILE 115 54.132 105.473 77.929 814 3HD1 ILE 115 3HD1 ILE 115 53.559 105.963 76.334 815 H ALA 116 H ALA 116 56.547 102.364 72.256 816 HA ALA 116 HA ALA 116 59.119 102.849 71.291 817 1HB ALA 116 1HB ALA 116 57.549 101.471 70.118 818 2HB ALA 116 2HB ALA 116 57.934 102.810 69.037 819 3HB ALA 116 3HB ALA 116 56.415 102.809 69.935 820 H ALA 117 H ALA 117 60.148 104.565 70.221 821 HA ALA 117 HA ALA 117 58.984 107.255 70.631 822 1HB ALA 117 1HB ALA 117 61.247 107.964 70.316 823 2HB ALA 117 2HB ALA 117 61.678 106.457 69.507 824 3HB ALA 117 3HB ALA 117 61.344 106.465 71.239 825 H PHE 118 H PHE 118 57.836 108.152 68.964 826 HA PHE 118 HA PHE 118 58.486 107.324 66.161 827 1HB PHE 118 1HB PHE 118 56.157 108.117 65.703 828 2HB PHE 118 2HB PHE 118 56.198 106.830 66.904 829 HD1 PHE 118 HD1 PHE 118 55.550 107.217 69.186 830 HD2 PHE 118 HD2 PHE 118 55.823 110.484 66.411 831 HE1 PHE 118 HE1 PHE 118 54.381 108.688 70.805 832 HE2 PHE 118 HE2 PHE 118 54.655 111.956 68.031 833 HZ PHE 118 HZ PHE 118 53.935 111.058 70.226 834 H VAL 119 H VAL 119 58.114 109.229 64.550 835 HA VAL 119 HA VAL 119 59.273 111.708 65.770 836 HB VAL 119 HB VAL 119 60.740 110.466 64.234 837 1HG1 VAL 119 1HG1 VAL 119 59.588 109.250 62.687 838 2HG1 VAL 119 2HG1 VAL 119 59.750 110.708 61.708 839 3HG1 VAL 119 3HG1 VAL 119 58.264 110.410 62.608 840 1HG2 VAL 119 1HG2 VAL 119 59.622 112.991 62.971 841 2HG2 VAL 119 2HG2 VAL 119 61.202 112.285 62.630 842 3HG2 VAL 119 3HG2 VAL 119 60.854 112.936 64.232 843 H LEU 120 H LEU 120 58.512 113.739 64.934 844 HA LEU 120 HA LEU 120 55.775 113.609 63.710 845 1HB LEU 120 1HB LEU 120 57.121 115.532 65.631 846 2HB LEU 120 2HB LEU 120 55.590 115.901 64.842 847 HG LEU 120 HG LEU 120 54.702 113.714 65.794 848 1HD1 LEU 120 1HD1 LEU 120 57.446 113.752 66.934 849 2HD1 LEU 120 2HD1 LEU 120 56.417 112.381 66.524 850 3HD1 LEU 120 3HD1 LEU 120 56.152 113.265 68.027 851 1HD2 LEU 120 1HD2 LEU 120 55.591 115.536 68.015 852 2HD2 LEU 120 2HD2 LEU 120 54.021 114.771 67.768 853 3HD2 LEU 120 3HD2 LEU 120 54.503 116.140 66.767 854 H SER 121 H SER 121 55.536 114.594 61.739 855 HA SER 121 HA SER 121 57.371 116.760 60.894 856 1HB SER 121 1HB SER 121 58.094 115.483 58.919 857 2HB SER 121 2HB SER 121 58.506 114.601 60.387 858 HG SER 121 HG SER 121 57.405 113.416 58.613 Start of MODEL 14 1 H ARG 6 1H ARG 6 55.540 85.589 81.603 2 HA ARG 6 HA ARG 6 53.192 86.282 82.088 3 1HB ARG 6 1HB ARG 6 55.207 86.768 84.304 4 2HB ARG 6 2HB ARG 6 53.470 86.637 84.581 5 1HG ARG 6 1HG ARG 6 53.478 84.379 83.586 6 2HG ARG 6 2HG ARG 6 55.216 84.506 83.313 7 1HD ARG 6 1HD ARG 6 55.559 84.786 85.770 8 2HD ARG 6 2HD ARG 6 53.817 84.545 86.011 9 HE ARG 6 HE ARG 6 55.598 82.491 84.752 10 1HH1 ARG 6 1HH2 ARG 6 52.508 82.457 84.541 11 2HH1 ARG 6 2HH2 ARG 6 52.127 81.306 85.779 12 1HH2 ARG 6 2HH1 ARG 6 55.269 81.440 87.240 13 2HH2 ARG 6 1HH1 ARG 6 53.691 80.731 87.307 14 H TYR 7 H TYR 7 55.653 88.775 82.175 15 HA TYR 7 HA TYR 7 53.525 90.857 82.545 16 1HB TYR 7 1HB TYR 7 56.514 90.895 83.083 17 2HB TYR 7 2HB TYR 7 55.422 92.253 83.356 18 HD1 TYR 7 HD1 TYR 7 53.134 91.389 84.658 19 HD2 TYR 7 HD2 TYR 7 57.081 89.733 85.012 20 HE1 TYR 7 HE1 TYR 7 52.549 90.472 86.887 21 HE2 TYR 7 HE2 TYR 7 56.497 88.816 87.242 22 HH TYR 7 HH TYR 7 54.430 89.715 89.112 23 H ARG 8 H ARG 8 52.964 91.518 80.508 24 HA ARG 8 HA ARG 8 55.063 92.648 78.734 25 1HB ARG 8 1HB ARG 8 53.265 90.299 78.111 26 2HB ARG 8 2HB ARG 8 53.970 91.289 76.834 27 1HG ARG 8 1HG ARG 8 56.233 90.855 77.840 28 2HG ARG 8 2HG ARG 8 55.466 89.722 78.953 29 1HD ARG 8 1HD ARG 8 54.769 88.287 77.147 30 2HD ARG 8 2HD ARG 8 55.235 89.495 75.933 31 HE ARG 8 HE ARG 8 57.516 88.922 76.289 32 1HH1 ARG 8 1HH2 ARG 8 55.778 86.398 77.331 33 2HH1 ARG 8 2HH2 ARG 8 56.835 85.896 78.608 34 1HH2 ARG 8 2HH1 ARG 8 58.747 88.787 78.520 35 2HH2 ARG 8 1HH1 ARG 8 58.516 87.249 79.282 36 H VAL 9 H VAL 9 54.318 94.447 77.749 37 HA VAL 9 HA VAL 9 51.423 94.865 77.220 38 HB VAL 9 HB VAL 9 53.128 96.619 79.032 39 1HG1 VAL 9 1HG1 VAL 9 50.931 97.823 79.367 40 2HG1 VAL 9 2HG1 VAL 9 50.279 96.879 78.027 41 3HG1 VAL 9 3HG1 VAL 9 51.614 97.999 77.752 42 1HG2 VAL 9 1HG2 VAL 9 50.840 94.710 79.558 43 2HG2 VAL 9 2HG2 VAL 9 51.279 95.985 80.695 44 3HG2 VAL 9 3HG2 VAL 9 52.439 94.717 80.299 45 H GLU 10 H GLU 10 51.510 95.452 75.106 46 HA GLU 10 HA GLU 10 53.712 97.255 74.117 47 1HB GLU 10 1HB GLU 10 53.432 94.977 73.114 48 2HB GLU 10 2HB GLU 10 51.771 95.399 72.700 49 1HG GLU 10 1HG GLU 10 52.589 97.281 71.325 50 2HG GLU 10 2HG GLU 10 54.249 96.859 71.735 51 H VAL 11 H VAL 11 53.172 99.270 73.645 52 HA VAL 11 HA VAL 11 50.272 99.941 73.267 53 HB VAL 11 HB VAL 11 52.554 101.584 74.420 54 1HG1 VAL 11 1HG1 VAL 11 49.698 102.170 73.740 55 2HG1 VAL 11 2HG1 VAL 11 51.113 103.216 73.627 56 3HG1 VAL 11 3HG1 VAL 11 50.373 102.901 75.197 57 1HG2 VAL 11 1HG2 VAL 11 50.353 99.921 75.623 58 2HG2 VAL 11 2HG2 VAL 11 50.945 101.341 76.487 59 3HG2 VAL 11 3HG2 VAL 11 52.049 100.023 76.093 60 H GLU 12 H GLU 12 49.752 101.165 71.433 61 HA GLU 12 HA GLU 12 52.017 101.986 69.633 62 1HB GLU 12 1HB GLU 12 49.281 100.790 69.102 63 2HB GLU 12 2HB GLU 12 50.302 101.465 67.832 64 1HG GLU 12 1HG GLU 12 52.098 99.880 68.428 65 2HG GLU 12 2HG GLU 12 51.079 99.201 69.696 66 H VAL 13 H VAL 13 51.939 104.094 68.929 67 HA VAL 13 HA VAL 13 49.446 105.681 69.458 68 HB VAL 13 HB VAL 13 52.346 106.478 69.888 69 1HG1 VAL 13 1HG1 VAL 13 51.058 108.379 71.165 70 2HG1 VAL 13 2HG1 VAL 13 49.723 107.929 70.105 71 3HG1 VAL 13 3HG1 VAL 13 51.247 108.484 69.415 72 1HG2 VAL 13 1HG2 VAL 13 50.157 105.544 71.741 73 2HG2 VAL 13 2HG2 VAL 13 51.439 106.605 72.330 74 3HG2 VAL 13 3HG2 VAL 13 51.840 105.021 71.669 75 H SER 14 H SER 14 48.815 107.013 67.812 76 HA SER 14 HA SER 14 50.675 107.299 65.477 77 1HB SER 14 1HB SER 14 48.870 105.668 65.092 78 2HB SER 14 2HB SER 14 47.669 106.871 65.555 79 HG SER 14 HG SER 14 47.718 107.231 63.462 80 HA PRO 15 HA PRO 15 49.440 111.550 66.520 81 1HB PRO 15 1HB PRO 15 51.735 112.764 65.703 82 2HB PRO 15 2HB PRO 15 51.581 111.989 67.293 83 1HG PRO 15 1HG PRO 15 52.881 110.985 64.816 84 2HG PRO 15 2HG PRO 15 53.387 110.820 66.505 85 1HD PRO 15 1HD PRO 15 52.170 108.830 65.098 86 2HD PRO 15 2HD PRO 15 52.060 108.998 66.863 87 H ARG 16 H ARG 16 49.195 113.493 65.182 88 HA ARG 16 HA ARG 16 49.520 113.260 62.256 89 1HB ARG 16 1HB ARG 16 47.063 113.437 61.884 90 2HB ARG 16 2HB ARG 16 47.494 111.940 62.707 91 1HG ARG 16 1HG ARG 16 46.915 112.970 64.877 92 2HG ARG 16 2HG ARG 16 46.463 114.458 64.047 93 1HD ARG 16 1HD ARG 16 45.196 111.877 63.172 94 2HD ARG 16 2HD ARG 16 44.594 112.690 64.630 95 HE ARG 16 HE ARG 16 44.969 114.397 62.247 96 1HH1 ARG 16 1HH2 ARG 16 42.745 112.068 62.587 97 2HH1 ARG 16 2HH2 ARG 16 41.370 113.091 62.836 98 1HH2 ARG 16 2HH1 ARG 16 43.258 115.960 63.313 99 2HH2 ARG 16 1HH1 ARG 16 41.660 115.294 63.248 100 H PHE 17 H PHE 17 49.816 115.246 61.432 101 HA PHE 17 HA PHE 17 50.065 117.594 63.012 102 1HB PHE 17 1HB PHE 17 51.129 117.101 60.819 103 2HB PHE 17 2HB PHE 17 49.564 117.314 60.035 104 HD1 PHE 17 HD1 PHE 17 52.011 119.069 62.255 105 HD2 PHE 17 HD2 PHE 17 48.855 119.457 59.366 106 HE1 PHE 17 HE1 PHE 17 52.395 121.517 62.164 107 HE2 PHE 17 HE2 PHE 17 49.241 121.906 59.276 108 HZ PHE 17 HZ PHE 17 51.009 122.936 60.676 109 H LEU 18 H LEU 18 48.638 119.258 63.503 110 HA LEU 18 HA LEU 18 45.811 119.037 62.483 111 1HB LEU 18 1HB LEU 18 46.864 120.174 65.096 112 2HB LEU 18 2HB LEU 18 45.174 119.981 64.650 113 HG LEU 18 HG LEU 18 47.147 117.700 64.926 114 1HD1 LEU 18 1HD1 LEU 18 45.023 117.536 66.813 115 2HD1 LEU 18 2HD1 LEU 18 45.660 119.176 66.911 116 3HD1 LEU 18 3HD1 LEU 18 46.736 117.800 67.139 117 1HD2 LEU 18 1HD2 LEU 18 45.377 117.202 63.326 118 2HD2 LEU 18 2HD2 LEU 18 44.151 117.804 64.443 119 3HD2 LEU 18 3HD2 LEU 18 45.042 116.331 64.823 120 H ALA 19 H ALA 19 46.515 120.329 60.672 121 HA ALA 19 HA ALA 19 47.486 123.075 60.864 122 1HB ALA 19 1HB ALA 19 47.318 121.238 58.948 123 2HB ALA 19 2HB ALA 19 47.301 122.962 58.576 124 3HB ALA 19 3HB ALA 19 45.788 122.058 58.635 125 H HIS 20 H HIS 20 44.210 121.649 60.789 126 HA HIS 20 HA HIS 20 42.855 124.137 60.293 127 1HB HIS 20 1HB HIS 20 42.035 121.740 59.987 128 2HB HIS 20 2HB HIS 20 41.774 121.700 61.732 129 HD1 HIS 20 HD1 HIS 20 39.776 122.997 62.670 130 HD2 HIS 20 HD2 HIS 20 40.305 123.573 58.576 131 HE1 HIS 20 HE1 HIS 20 37.711 124.208 61.844 132 H GLN 21 H GLN 21 44.064 122.701 63.270 133 HA GLN 21 HA GLN 21 42.744 124.935 64.791 134 1HB GLN 21 1HB GLN 21 42.829 123.362 66.714 135 2HB GLN 21 2HB GLN 21 41.898 122.718 65.362 136 1HG GLN 21 1HG GLN 21 43.719 121.310 64.675 137 2HG GLN 21 2HG GLN 21 44.822 122.082 65.816 138 1HE2 GLN 21 1HE2 GLN 21 44.832 121.311 67.978 139 2HE2 GLN 21 2HE2 GLN 21 43.803 120.084 68.541 140 H SER 22 H SER 22 45.456 124.914 63.423 141 HA SER 22 HA SER 22 47.025 125.762 65.805 142 1HB SER 22 1HB SER 22 48.809 124.267 65.345 143 2HB SER 22 2HB SER 22 47.360 123.285 65.149 144 HG SER 22 HG SER 22 47.531 123.522 62.939 145 H THR 23 H THR 23 48.682 127.292 65.278 146 HA THR 23 HA THR 23 48.604 128.341 62.465 147 HB THR 23 HB THR 23 49.103 129.777 65.096 148 HG1 THR 23 HG1 THR 23 47.030 129.944 65.204 149 1HG2 THR 23 1HG2 THR 23 48.862 131.813 63.750 150 2HG2 THR 23 2HG2 THR 23 48.606 130.840 62.301 151 3HG2 THR 23 3HG2 THR 23 50.171 130.815 63.114 152 HA PRO 24 HA PRO 24 52.856 126.825 63.244 153 1HB PRO 24 1HB PRO 24 53.540 126.539 60.612 154 2HB PRO 24 2HB PRO 24 52.672 125.291 61.530 155 1HG PRO 24 1HG PRO 24 51.617 127.305 59.611 156 2HG PRO 24 2HG PRO 24 51.170 125.605 59.824 157 1HD PRO 24 1HD PRO 24 49.685 127.658 60.794 158 2HD PRO 24 2HD PRO 24 49.750 126.057 61.561 159 H ASP 25 H ASP 25 51.624 129.392 61.183 160 HA ASP 25 HA ASP 25 54.140 130.645 60.572 161 1HB ASP 25 1HB ASP 25 51.899 130.965 59.436 162 2HB ASP 25 2HB ASP 25 51.395 131.916 60.835 163 H GLU 26 H GLU 26 52.137 130.675 63.439 164 HA GLU 26 HA GLU 26 53.695 132.978 64.547 165 1HB GLU 26 1HB GLU 26 51.087 131.620 65.274 166 2HB GLU 26 2HB GLU 26 51.825 132.874 66.272 167 1HG GLU 26 1HG GLU 26 51.776 134.432 64.358 168 2HG GLU 26 2HG GLU 26 51.036 133.183 63.359 169 H GLY 27 H GLY 27 54.537 130.004 64.320 170 1HA GLY 27 1HA GLY 27 55.853 128.577 65.640 171 2HA GLY 27 2HA GLY 27 55.851 129.829 66.883 172 H ARG 28 H ARG 28 52.890 128.507 65.562 173 HA ARG 28 HA ARG 28 52.376 127.143 68.188 174 1HB ARG 28 1HB ARG 28 51.137 129.292 67.676 175 2HB ARG 28 2HB ARG 28 50.384 128.457 66.317 176 1HG ARG 28 1HG ARG 28 49.468 126.764 67.860 177 2HG ARG 28 2HG ARG 28 50.217 127.600 69.221 178 1HD ARG 28 1HD ARG 28 48.871 129.618 68.734 179 2HD ARG 28 2HD ARG 28 48.109 128.774 67.371 180 HE ARG 28 HE ARG 28 47.988 127.440 70.015 181 1HH1 ARG 28 2HH1 ARG 28 46.382 127.416 67.218 182 2HH1 ARG 28 1HH1 ARG 28 44.820 127.842 67.832 183 1HH2 ARG 28 1HH2 ARG 28 46.010 128.784 70.950 184 2HH2 ARG 28 2HH2 ARG 28 44.609 128.617 69.945 185 H TYR 29 H TYR 29 53.015 125.036 67.396 186 HA TYR 29 HA TYR 29 51.452 123.977 65.070 187 1HB TYR 29 1HB TYR 29 53.908 122.898 66.502 188 2HB TYR 29 2HB TYR 29 53.212 122.262 65.014 189 HD1 TYR 29 HD1 TYR 29 55.042 125.093 66.524 190 HD2 TYR 29 HD2 TYR 29 53.516 123.389 62.889 191 HE1 TYR 29 HE1 TYR 29 56.387 126.705 65.205 192 HE2 TYR 29 HE2 TYR 29 54.861 125.001 61.570 193 HH TYR 29 HH TYR 29 56.019 127.706 62.602 194 H ALA 30 H ALA 30 49.892 122.449 65.486 195 HA ALA 30 HA ALA 30 49.738 121.407 68.290 196 1HB ALA 30 1HB ALA 30 47.974 122.998 67.319 197 2HB ALA 30 2HB ALA 30 47.362 121.520 68.063 198 3HB ALA 30 3HB ALA 30 47.468 121.646 66.307 199 H PHE 31 H PHE 31 50.199 119.252 68.453 200 HA PHE 31 HA PHE 31 49.592 117.464 66.117 201 1HB PHE 31 1HB PHE 31 51.717 117.406 68.279 202 2HB PHE 31 2HB PHE 31 51.417 116.047 67.199 203 HD1 PHE 31 HD1 PHE 31 52.592 119.544 67.406 204 HD2 PHE 31 HD2 PHE 31 52.032 116.131 64.859 205 HE1 PHE 31 HE1 PHE 31 54.016 120.600 65.675 206 HE2 PHE 31 HE2 PHE 31 53.454 117.190 63.126 207 HZ PHE 31 HZ PHE 31 54.447 119.426 63.535 208 H ALA 32 H ALA 32 48.037 115.877 66.545 209 HA ALA 32 HA ALA 32 47.358 115.333 69.420 210 1HB ALA 32 1HB ALA 32 45.155 114.610 68.158 211 2HB ALA 32 2HB ALA 32 45.797 115.620 66.864 212 3HB ALA 32 3HB ALA 32 45.466 116.320 68.449 213 H TYR 33 H TYR 33 47.673 113.200 70.051 214 HA TYR 33 HA TYR 33 47.987 111.186 67.847 215 1HB TYR 33 1HB TYR 33 49.807 110.198 69.176 216 2HB TYR 33 2HB TYR 33 50.136 111.891 68.818 217 HD1 TYR 33 HD1 TYR 33 49.143 109.489 71.435 218 HD2 TYR 33 HD2 TYR 33 50.139 113.573 70.568 219 HE1 TYR 33 HE1 TYR 33 49.381 109.946 73.861 220 HE2 TYR 33 HE2 TYR 33 50.373 114.029 72.990 221 HH TYR 33 HH TYR 33 50.796 112.833 75.054 222 H SER 34 H SER 34 47.155 109.097 68.265 223 HA SER 34 HA SER 34 45.255 108.929 70.561 224 1HB SER 34 1HB SER 34 45.592 107.463 67.929 225 2HB SER 34 2HB SER 34 44.408 106.985 69.142 226 HG SER 34 HG SER 34 43.221 108.645 68.615 227 H ILE 35 H ILE 35 45.504 107.340 72.119 228 HA ILE 35 HA ILE 35 48.055 105.755 72.088 229 HB ILE 35 HB ILE 35 46.108 106.631 74.237 230 1HG1 ILE 35 1HG1 ILE 35 47.441 108.458 73.250 231 2HG1 ILE 35 2HG1 ILE 35 47.957 108.133 74.901 232 1HG2 ILE 35 1HG2 ILE 35 48.553 104.886 74.303 233 2HG2 ILE 35 2HG2 ILE 35 47.032 104.706 75.177 234 3HG2 ILE 35 3HG2 ILE 35 48.199 105.930 75.679 235 1HD1 ILE 35 1HD1 ILE 35 49.427 107.762 72.361 236 2HD1 ILE 35 2HD1 ILE 35 49.596 106.441 73.515 237 3HD1 ILE 35 3HD1 ILE 35 50.044 108.080 73.982 238 H ARG 36 H ARG 36 47.988 103.616 71.897 239 HA ARG 36 HA ARG 36 45.398 102.158 72.345 240 1HB ARG 36 1HB ARG 36 47.611 101.835 70.297 241 2HB ARG 36 2HB ARG 36 46.364 100.613 70.551 242 1HG ARG 36 1HG ARG 36 44.617 102.287 70.064 243 2HG ARG 36 2HG ARG 36 45.862 103.510 69.805 244 1HD ARG 36 1HD ARG 36 46.794 102.180 67.937 245 2HD ARG 36 2HD ARG 36 45.535 100.954 68.189 246 HE ARG 36 HE ARG 36 44.125 103.343 67.977 247 1HH1 ARG 36 1HH2 ARG 36 46.551 103.955 66.163 248 2HH1 ARG 36 2HH2 ARG 36 45.903 103.517 64.618 249 1HH2 ARG 36 2HH1 ARG 36 43.219 101.767 65.944 250 2HH2 ARG 36 1HH1 ARG 36 44.016 102.279 64.493 251 H ILE 37 H ILE 37 45.858 101.453 74.441 252 HA ILE 37 HA ILE 37 48.439 100.127 75.086 253 HB ILE 37 HB ILE 37 45.930 100.680 76.705 254 1HG1 ILE 37 1HG1 ILE 37 48.552 102.202 76.701 255 2HG1 ILE 37 2HG1 ILE 37 47.149 102.705 75.756 256 1HG2 ILE 37 1HG2 ILE 37 47.786 98.892 77.382 257 2HG2 ILE 37 2HG2 ILE 37 47.092 99.981 78.583 258 3HG2 ILE 37 3HG2 ILE 37 48.665 100.339 77.871 259 1HD1 ILE 37 1HD1 ILE 37 46.870 103.917 77.741 260 2HD1 ILE 37 2HD1 ILE 37 47.470 102.597 78.745 261 3HD1 ILE 37 3HD1 ILE 37 45.864 102.496 78.023 262 H GLN 38 H GLN 38 48.628 97.984 74.597 263 HA GLN 38 HA GLN 38 46.195 96.231 74.841 264 1HB GLN 38 1HB GLN 38 47.092 96.549 72.529 265 2HB GLN 38 2HB GLN 38 48.659 95.953 73.079 266 1HG GLN 38 1HG GLN 38 47.736 93.784 73.594 267 2HG GLN 38 2HG GLN 38 46.094 94.360 73.307 268 1HE2 GLN 38 1HE2 GLN 38 47.197 92.137 71.851 269 2HE2 GLN 38 2HE2 GLN 38 47.351 92.595 70.224 270 H ASN 39 H ASN 39 46.355 94.524 76.193 271 HA ASN 39 HA ASN 39 48.804 94.305 77.822 272 1HB ASN 39 1HB ASN 39 46.494 94.449 78.787 273 2HB ASN 39 2HB ASN 39 46.129 92.887 78.058 274 1HD2 ASN 39 1HD2 ASN 39 46.237 93.529 80.970 275 2HD2 ASN 39 2HD2 ASN 39 47.422 92.506 81.627 276 H ALA 40 H ALA 40 50.360 92.835 77.200 277 HA ALA 40 HA ALA 40 49.488 90.343 75.763 278 1HB ALA 40 1HB ALA 40 52.021 92.013 75.671 279 2HB ALA 40 2HB ALA 40 50.844 91.800 74.376 280 3HB ALA 40 3HB ALA 40 51.860 90.448 74.874 281 H GLY 41 H GLY 41 50.210 91.232 78.804 282 1HA GLY 41 1HA GLY 41 52.250 89.203 79.411 283 2HA GLY 41 2HA GLY 41 51.438 90.242 80.584 284 H ALA 42 H ALA 42 51.503 87.828 81.533 285 HA ALA 42 HA ALA 42 49.196 86.237 80.583 286 1HB ALA 42 1HB ALA 42 51.463 85.280 81.137 287 2HB ALA 42 2HB ALA 42 50.139 84.528 82.027 288 3HB ALA 42 3HB ALA 42 51.172 85.716 82.821 289 H VAL 43 H VAL 43 50.251 88.187 83.293 290 HA VAL 43 HA VAL 43 47.689 87.681 84.751 291 HB VAL 43 HB VAL 43 50.355 88.918 85.548 292 1HG1 VAL 43 1HG1 VAL 43 49.548 89.023 87.791 293 2HG1 VAL 43 2HG1 VAL 43 48.099 88.102 87.388 294 3HG1 VAL 43 3HG1 VAL 43 48.288 89.752 86.795 295 1HG2 VAL 43 1HG2 VAL 43 49.092 86.205 85.986 296 2HG2 VAL 43 2HG2 VAL 43 50.421 86.794 86.984 297 3HG2 VAL 43 3HG2 VAL 43 50.652 86.572 85.250 298 HA PRO 44 HA PRO 44 46.075 91.545 83.399 299 1HB PRO 44 1HB PRO 44 44.698 92.347 85.633 300 2HB PRO 44 2HB PRO 44 44.096 91.123 84.496 301 1HG PRO 44 1HG PRO 44 45.523 90.742 87.094 302 2HG PRO 44 2HG PRO 44 44.077 89.920 86.474 303 1HD PRO 44 1HD PRO 44 46.454 88.742 86.352 304 2HD PRO 44 2HD PRO 44 45.296 88.586 85.015 305 H ALA 45 H ALA 45 46.633 93.736 83.555 306 HA ALA 45 HA ALA 45 48.411 94.578 85.821 307 1HB ALA 45 1HB ALA 45 48.906 94.393 82.881 308 2HB ALA 45 2HB ALA 45 50.001 94.066 84.225 309 3HB ALA 45 3HB ALA 45 49.642 95.730 83.764 310 H ARG 46 H ARG 46 48.386 96.792 86.247 311 HA ARG 46 HA ARG 46 46.343 98.448 84.788 312 1HB ARG 46 1HB ARG 46 45.726 97.529 87.081 313 2HB ARG 46 2HB ARG 46 47.043 98.494 87.743 314 1HG ARG 46 1HG ARG 46 45.852 100.448 86.409 315 2HG ARG 46 2HG ARG 46 44.445 99.395 86.558 316 1HD ARG 46 1HD ARG 46 45.340 99.261 89.104 317 2HD ARG 46 2HD ARG 46 45.912 100.886 88.676 318 HE ARG 46 HE ARG 46 43.467 101.162 87.763 319 1HH1 ARG 46 1HH2 ARG 46 43.910 101.729 90.701 320 2HH1 ARG 46 2HH2 ARG 46 42.644 100.799 91.429 321 1HH2 ARG 46 2HH1 ARG 46 42.052 98.891 88.595 322 2HH2 ARG 46 1HH1 ARG 46 41.592 99.192 90.237 323 H LEU 47 H LEU 47 46.853 100.745 84.711 324 HA LEU 47 HA LEU 47 49.784 101.279 84.852 325 1HB LEU 47 1HB LEU 47 48.283 101.666 82.805 326 2HB LEU 47 2HB LEU 47 47.568 103.000 83.710 327 HG LEU 47 HG LEU 47 50.555 102.791 83.374 328 1HD1 LEU 47 1HD1 LEU 47 50.084 102.908 81.122 329 2HD1 LEU 47 2HD1 LEU 47 49.935 104.621 81.515 330 3HD1 LEU 47 3HD1 LEU 47 48.490 103.616 81.384 331 1HD2 LEU 47 1HD2 LEU 47 50.016 105.399 83.428 332 2HD2 LEU 47 2HD2 LEU 47 50.115 104.462 84.920 333 3HD2 LEU 47 3HD2 LEU 47 48.541 104.841 84.219 334 H VAL 48 H VAL 48 50.491 102.259 86.713 335 HA VAL 48 HA VAL 48 48.561 103.883 88.297 336 HB VAL 48 HB VAL 48 51.291 102.710 88.944 337 1HG1 VAL 48 1HG1 VAL 48 50.726 104.732 90.283 338 2HG1 VAL 48 2HG1 VAL 48 50.761 103.271 91.270 339 3HG1 VAL 48 3HG1 VAL 48 49.217 103.962 90.773 340 1HG2 VAL 48 1HG2 VAL 48 48.690 101.812 90.145 341 2HG2 VAL 48 2HG2 VAL 48 50.187 100.909 89.926 342 3HG2 VAL 48 3HG2 VAL 48 49.139 101.225 88.544 343 H ALA 49 H ALA 49 51.563 104.155 86.454 344 HA ALA 49 HA ALA 49 51.449 107.098 86.952 345 1HB ALA 49 1HB ALA 49 53.583 105.137 87.607 346 2HB ALA 49 2HB ALA 49 53.136 106.632 88.431 347 3HB ALA 49 3HB ALA 49 54.120 106.691 86.968 348 H ARG 50 H ARG 50 52.730 108.351 85.394 349 HA ARG 50 HA ARG 50 53.432 107.010 82.806 350 1HB ARG 50 1HB ARG 50 52.007 108.603 81.620 351 2HB ARG 50 2HB ARG 50 51.037 107.703 82.781 352 1HG ARG 50 1HG ARG 50 51.428 109.637 84.404 353 2HG ARG 50 2HG ARG 50 52.060 110.539 83.026 354 1HD ARG 50 1HD ARG 50 49.358 109.194 82.870 355 2HD ARG 50 2HD ARG 50 49.535 110.818 83.565 356 HE ARG 50 HE ARG 50 50.920 111.154 81.289 357 1HH1 ARG 50 2HH1 ARG 50 49.791 108.737 80.018 358 2HH1 ARG 50 1HH1 ARG 50 48.359 109.337 79.251 359 1HH2 ARG 50 1HH2 ARG 50 48.277 112.269 81.100 360 2HH2 ARG 50 2HH2 ARG 50 47.501 111.336 79.864 361 H HIS 51 H HIS 51 55.153 107.954 81.824 362 HA HIS 51 HA HIS 51 56.052 110.675 82.677 363 1HB HIS 51 1HB HIS 51 57.130 108.982 84.132 364 2HB HIS 51 2HB HIS 51 57.702 108.121 82.705 365 HD1 HIS 51 HD1 HIS 51 60.174 108.592 83.599 366 HD2 HIS 51 HD2 HIS 51 58.018 111.983 82.484 367 HE1 HIS 51 HE1 HIS 51 61.858 110.471 83.374 368 H TRP 52 H TRP 52 56.143 111.758 80.783 369 HA TRP 52 HA TRP 52 56.940 110.335 78.279 370 1HB TRP 52 1HB TRP 52 55.524 112.911 78.993 371 2HB TRP 52 2HB TRP 52 56.046 112.567 77.347 372 HD1 TRP 52 HD1 TRP 52 53.274 111.966 79.709 373 HE1 TRP 52 HE1 TRP 52 51.601 110.270 78.724 374 HE3 TRP 52 HE3 TRP 52 56.017 110.202 75.779 375 HZ2 TRP 52 HZ2 TRP 52 51.447 108.415 76.558 376 HZ3 TRP 52 HZ3 TRP 52 55.083 108.471 74.271 377 HH2 TRP 52 HH2 TRP 52 52.803 107.574 74.656 378 H GLN 53 H GLN 53 58.880 110.812 77.313 379 HA GLN 53 HA GLN 53 60.508 113.092 78.401 380 1HB GLN 53 1HB GLN 53 61.293 110.737 78.797 381 2HB GLN 53 2HB GLN 53 61.380 110.515 77.049 382 1HG GLN 53 1HG GLN 53 63.047 112.259 76.845 383 2HG GLN 53 2HG GLN 53 62.868 112.688 78.546 384 1HE2 GLN 53 1HE2 GLN 53 65.390 111.842 77.382 385 2HE2 GLN 53 2HE2 GLN 53 65.823 110.371 78.109 386 H ILE 54 H ILE 54 59.293 114.440 76.733 387 HA ILE 54 HA ILE 54 59.734 113.824 73.899 388 HB ILE 54 HB ILE 54 58.272 115.667 73.518 389 1HG1 ILE 54 1HG1 ILE 54 58.676 116.566 76.390 390 2HG1 ILE 54 2HG1 ILE 54 59.468 117.306 75.001 391 1HG2 ILE 54 1HG2 ILE 54 57.101 114.952 76.144 392 2HG2 ILE 54 2HG2 ILE 54 57.510 113.596 75.096 393 3HG2 ILE 54 3HG2 ILE 54 56.404 114.846 74.528 394 1HD1 ILE 54 1HD1 ILE 54 56.467 117.056 75.275 395 2HD1 ILE 54 2HD1 ILE 54 57.351 117.952 74.040 396 3HD1 ILE 54 3HD1 ILE 54 57.378 118.500 75.716 397 H THR 55 H THR 55 61.404 114.510 72.683 398 HA THR 55 HA THR 55 63.089 116.796 73.664 399 HB THR 55 HB THR 55 64.063 114.515 71.921 400 HG1 THR 55 HG1 THR 55 64.128 113.231 73.574 401 1HG2 THR 55 1HG2 THR 55 66.127 115.219 73.524 402 2HG2 THR 55 2HG2 THR 55 65.242 116.744 73.488 403 3HG2 THR 55 3HG2 THR 55 65.792 116.009 71.983 404 H ASP 56 H ASP 56 63.265 118.459 72.300 405 HA ASP 56 HA ASP 56 61.829 118.286 69.751 406 1HB ASP 56 1HB ASP 56 61.667 120.142 71.493 407 2HB ASP 56 2HB ASP 56 63.275 120.648 70.976 408 H GLY 57 H GLY 57 62.859 119.435 67.829 409 1HA GLY 57 1HA GLY 57 65.218 118.086 67.004 410 2HA GLY 57 2HA GLY 57 64.498 119.453 66.167 411 H ASN 58 H ASN 58 65.078 120.746 69.143 412 HA ASN 58 HA ASN 58 67.753 121.731 68.269 413 1HB ASN 58 1HB ASN 58 65.411 122.986 69.142 414 2HB ASN 58 2HB ASN 58 66.470 123.057 70.550 415 1HD2 ASN 58 1HD2 ASN 58 65.796 124.530 67.525 416 2HD2 ASN 58 2HD2 ASN 58 67.191 125.491 67.422 417 H GLY 59 H GLY 59 66.717 119.276 70.120 418 1HA GLY 59 1HA GLY 59 68.159 117.979 71.539 419 2HA GLY 59 2HA GLY 59 69.105 119.429 71.860 420 H ARG 60 H ARG 60 66.692 121.048 72.508 421 HA ARG 60 HA ARG 60 66.592 120.601 75.333 422 1HB ARG 60 1HB ARG 60 65.408 122.343 73.298 423 2HB ARG 60 2HB ARG 60 64.276 122.002 74.604 424 1HG ARG 60 1HG ARG 60 65.335 123.595 75.803 425 2HG ARG 60 2HG ARG 60 66.703 122.490 75.917 426 1HD ARG 60 1HD ARG 60 67.421 124.687 75.019 427 2HD ARG 60 2HD ARG 60 67.605 123.426 73.783 428 HE ARG 60 HE ARG 60 64.979 124.727 73.764 429 1HH1 ARG 60 1HH2 ARG 60 67.977 126.032 73.219 430 2HH1 ARG 60 2HH2 ARG 60 67.743 126.365 71.535 431 1HH2 ARG 60 2HH1 ARG 60 64.770 124.595 71.326 432 2HH2 ARG 60 1HH1 ARG 60 65.928 125.552 70.464 433 H THR 61 H THR 61 65.092 119.478 76.616 434 HA THR 61 HA THR 61 62.906 118.037 75.186 435 HB THR 61 HB THR 61 64.846 116.553 75.437 436 HG1 THR 61 HG1 THR 61 62.837 115.972 77.351 437 1HG2 THR 61 1HG2 THR 61 64.626 117.262 78.376 438 2HG2 THR 61 2HG2 THR 61 65.965 117.655 77.297 439 3HG2 THR 61 3HG2 THR 61 65.648 115.976 77.733 440 H GLU 62 H GLU 62 61.079 117.491 76.560 441 HA GLU 62 HA GLU 62 61.032 118.963 79.177 442 1HB GLU 62 1HB GLU 62 59.734 120.003 77.332 443 2HB GLU 62 2HB GLU 62 58.832 118.500 77.133 444 1HG GLU 62 1HG GLU 62 58.006 118.684 79.454 445 2HG GLU 62 2HG GLU 62 58.904 120.188 79.654 446 H GLN 63 H GLN 63 60.750 117.598 80.870 447 HA GLN 63 HA GLN 63 59.676 114.847 80.410 448 1HB GLN 63 1HB GLN 63 61.229 116.229 82.611 449 2HB GLN 63 2HB GLN 63 60.655 114.565 82.733 450 1HG GLN 63 1HG GLN 63 61.912 113.978 80.692 451 2HG GLN 63 2HG GLN 63 62.489 115.640 80.570 452 1HE2 GLN 63 1HE2 GLN 63 64.719 115.318 81.029 453 2HE2 GLN 63 2HE2 GLN 63 65.286 114.663 82.488 454 H VAL 64 H VAL 64 57.702 114.262 81.240 455 HA VAL 64 HA VAL 64 56.377 116.109 83.201 456 HB VAL 64 HB VAL 64 55.183 114.635 80.824 457 1HG1 VAL 64 1HG1 VAL 64 53.119 115.849 81.377 458 2HG1 VAL 64 2HG1 VAL 64 53.914 116.591 82.766 459 3HG1 VAL 64 3HG1 VAL 64 53.622 114.851 82.742 460 1HG2 VAL 64 1HG2 VAL 64 54.831 116.931 79.931 461 2HG2 VAL 64 2HG2 VAL 64 56.543 116.568 80.153 462 3HG2 VAL 64 3HG2 VAL 64 55.699 117.585 81.320 463 H ASP 65 H ASP 65 55.660 115.116 84.990 464 HA ASP 65 HA ASP 65 55.339 112.127 84.992 465 1HB ASP 65 1HB ASP 65 56.303 112.234 87.278 466 2HB ASP 65 2HB ASP 65 57.421 112.875 86.074 467 H GLY 66 H GLY 66 53.309 111.508 85.636 468 1HA GLY 66 1HA GLY 66 51.860 113.112 87.649 469 2HA GLY 66 2HA GLY 66 51.080 112.963 86.074 470 H GLU 67 H GLU 67 50.084 111.899 88.598 471 HA GLU 67 HA GLU 67 50.554 109.016 88.644 472 1HB GLU 67 1HB GLU 67 49.979 110.397 90.625 473 2HB GLU 67 2HB GLU 67 48.414 110.769 89.901 474 1HG GLU 67 1HG GLU 67 47.843 108.366 89.893 475 2HG GLU 67 2HG GLU 67 49.405 107.992 90.619 476 H GLY 68 H GLY 68 48.935 107.401 88.091 477 1HA GLY 68 1HA GLY 68 47.436 106.429 86.585 478 2HA GLY 68 2HA GLY 68 46.394 107.771 87.042 479 H VAL 69 H VAL 69 45.689 107.375 84.749 480 HA VAL 69 HA VAL 69 47.287 109.067 82.834 481 HB VAL 69 HB VAL 69 46.420 107.472 81.079 482 1HG1 VAL 69 1HG1 VAL 69 48.613 106.961 81.462 483 2HG1 VAL 69 2HG1 VAL 69 47.914 105.488 82.134 484 3HG1 VAL 69 3HG1 VAL 69 48.384 106.810 83.204 485 1HG2 VAL 69 1HG2 VAL 69 45.724 105.750 83.483 486 2HG2 VAL 69 2HG2 VAL 69 45.575 105.287 81.788 487 3HG2 VAL 69 3HG2 VAL 69 44.542 106.552 82.449 488 H VAL 70 H VAL 70 46.181 110.693 82.061 489 HA VAL 70 HA VAL 70 44.447 112.248 81.871 490 HB VAL 70 HB VAL 70 42.807 111.499 80.230 491 1HG1 VAL 70 1HG1 VAL 70 44.325 111.159 78.581 492 2HG1 VAL 70 2HG1 VAL 70 45.040 109.761 79.384 493 3HG1 VAL 70 3HG1 VAL 70 45.503 111.392 79.873 494 1HG2 VAL 70 1HG2 VAL 70 43.690 108.660 80.817 495 2HG2 VAL 70 2HG2 VAL 70 42.424 109.175 79.706 496 3HG2 VAL 70 3HG2 VAL 70 42.206 109.381 81.440 497 H GLY 71 H GLY 71 44.412 111.030 84.448 498 1HA GLY 71 1HA GLY 71 43.008 111.361 86.315 499 2HA GLY 71 2HA GLY 71 41.681 111.715 85.221 500 H GLU 72 H GLU 72 43.287 108.706 84.595 501 HA GLU 72 HA GLU 72 41.368 107.232 86.343 502 1HB GLU 72 1HB GLU 72 40.553 105.936 84.391 503 2HB GLU 72 2HB GLU 72 40.187 107.654 84.248 504 1HG GLU 72 1HG GLU 72 42.004 107.991 82.726 505 2HG GLU 72 2HG GLU 72 42.632 106.371 83.010 506 H GLN 73 H GLN 73 41.899 105.066 86.725 507 HA GLN 73 HA GLN 73 44.693 104.230 85.977 508 1HB GLN 73 1HB GLN 73 42.923 103.797 88.401 509 2HB GLN 73 2HB GLN 73 44.440 102.934 88.151 510 1HG GLN 73 1HG GLN 73 45.697 104.995 88.153 511 2HG GLN 73 2HG GLN 73 44.217 105.955 88.154 512 1HE2 GLN 73 1HE2 GLN 73 46.412 104.104 90.177 513 2HE2 GLN 73 2HE2 GLN 73 45.639 104.438 91.651 514 HA PRO 74 HA PRO 74 41.500 101.423 84.008 515 1HB PRO 74 1HB PRO 74 43.038 100.776 81.843 516 2HB PRO 74 2HB PRO 74 41.966 102.191 81.888 517 1HG PRO 74 1HG PRO 74 44.909 102.034 82.302 518 2HG PRO 74 2HG PRO 74 43.955 103.243 81.426 519 1HD PRO 74 1HD PRO 74 44.921 103.666 83.917 520 2HD PRO 74 2HD PRO 74 43.411 104.393 83.331 521 H TRP 75 H TRP 75 41.477 99.241 84.321 522 HA TRP 75 HA TRP 75 43.964 97.907 85.317 523 1HB TRP 75 1HB TRP 75 41.595 98.141 86.497 524 2HB TRP 75 2HB TRP 75 41.177 96.787 85.449 525 HD1 TRP 75 HD1 TRP 75 43.774 97.754 88.128 526 HE1 TRP 75 HE1 TRP 75 44.571 95.599 89.298 527 HE3 TRP 75 HE3 TRP 75 41.300 94.268 85.335 528 HZ2 TRP 75 HZ2 TRP 75 44.205 92.771 89.079 529 HZ3 TRP 75 HZ3 TRP 75 41.540 91.853 85.838 530 HH2 TRP 75 HH2 TRP 75 42.988 91.101 87.704 531 H LEU 76 H LEU 76 44.613 97.769 82.937 532 HA LEU 76 HA LEU 76 43.125 96.375 80.964 533 1HB LEU 76 1HB LEU 76 45.435 97.740 81.053 534 2HB LEU 76 2HB LEU 76 46.089 96.101 81.048 535 HG LEU 76 HG LEU 76 44.639 95.602 79.055 536 1HD1 LEU 76 1HD1 LEU 76 43.174 97.119 78.221 537 2HD1 LEU 76 2HD1 LEU 76 44.320 98.449 78.384 538 3HD1 LEU 76 3HD1 LEU 76 43.350 97.945 79.768 539 1HD2 LEU 76 1HD2 LEU 76 46.125 96.643 77.483 540 2HD2 LEU 76 2HD2 LEU 76 47.071 96.351 78.945 541 3HD2 LEU 76 3HD2 LEU 76 46.467 97.968 78.594 542 H ARG 77 H ARG 77 42.416 94.316 81.037 543 HA ARG 77 HA ARG 77 43.720 92.278 82.730 544 1HB ARG 77 1HB ARG 77 41.239 92.527 81.028 545 2HB ARG 77 2HB ARG 77 41.747 90.950 81.632 546 1HG ARG 77 1HG ARG 77 41.430 91.554 83.869 547 2HG ARG 77 2HG ARG 77 41.552 93.280 83.521 548 1HD ARG 77 1HD ARG 77 39.343 93.443 82.884 549 2HD ARG 77 2HD ARG 77 39.312 91.801 82.211 550 HE ARG 77 HE ARG 77 39.283 92.378 85.151 551 1HH1 ARG 77 1HH2 ARG 77 40.028 89.615 83.984 552 2HH1 ARG 77 2HH2 ARG 77 38.517 88.786 84.158 553 1HH2 ARG 77 2HH1 ARG 77 36.686 91.680 84.692 554 2HH2 ARG 77 1HH1 ARG 77 36.626 89.955 84.559 555 HA PRO 78 HA PRO 78 46.217 90.468 79.599 556 1HB PRO 78 1HB PRO 78 45.590 87.800 79.645 557 2HB PRO 78 2HB PRO 78 46.620 88.575 80.867 558 1HG PRO 78 1HG PRO 78 43.730 87.868 81.003 559 2HG PRO 78 2HG PRO 78 44.991 87.714 82.239 560 1HD PRO 78 1HD PRO 78 43.183 89.724 82.246 561 2HD PRO 78 2HD PRO 78 44.836 89.917 82.865 562 H GLY 79 H GLY 79 45.907 90.600 77.464 563 1HA GLY 79 1HA GLY 79 44.968 90.041 75.333 564 2HA GLY 79 2HA GLY 79 43.616 89.272 76.159 565 H GLU 80 H GLU 80 43.449 91.917 77.841 566 HA GLU 80 HA GLU 80 41.574 93.254 75.988 567 1HB GLU 80 1HB GLU 80 41.037 92.674 78.370 568 2HB GLU 80 2HB GLU 80 42.293 93.800 78.888 569 1HG GLU 80 1HG GLU 80 41.121 95.660 77.831 570 2HG GLU 80 2HG GLU 80 39.908 94.562 77.176 571 H ALA 81 H ALA 81 41.648 95.701 75.903 572 HA ALA 81 HA ALA 81 44.366 96.857 76.242 573 1HB ALA 81 1HB ALA 81 44.380 95.947 74.008 574 2HB ALA 81 2HB ALA 81 44.165 97.690 73.845 575 3HB ALA 81 3HB ALA 81 42.781 96.611 73.671 576 H PHE 82 H PHE 82 44.333 99.173 76.366 577 HA PHE 82 HA PHE 82 41.601 100.391 76.628 578 1HB PHE 82 1HB PHE 82 42.825 100.116 78.758 579 2HB PHE 82 2HB PHE 82 44.202 100.989 78.085 580 HD1 PHE 82 HD1 PHE 82 44.108 103.403 77.699 581 HD2 PHE 82 HD2 PHE 82 40.747 101.278 79.324 582 HE1 PHE 82 HE1 PHE 82 43.060 105.555 78.348 583 HE2 PHE 82 HE2 PHE 82 39.702 103.430 79.975 584 HZ PHE 82 HZ PHE 82 40.858 105.568 79.484 585 H HIS 83 H HIS 83 41.375 102.527 75.665 586 HA HIS 83 HA HIS 83 43.766 103.626 74.262 587 1HB HIS 83 1HB HIS 83 42.435 103.746 72.165 588 2HB HIS 83 2HB HIS 83 42.642 102.085 72.716 589 HD1 HIS 83 HD1 HIS 83 40.545 100.945 73.870 590 HD2 HIS 83 HD2 HIS 83 39.771 104.652 72.125 591 HE1 HIS 83 HE1 HIS 83 38.026 101.150 73.711 592 H TYR 84 H TYR 84 43.755 105.859 74.128 593 HA TYR 84 HA TYR 84 41.249 107.366 74.532 594 1HB TYR 84 1HB TYR 84 42.065 108.517 76.513 595 2HB TYR 84 2HB TYR 84 42.163 106.784 76.801 596 HD1 TYR 84 HD1 TYR 84 44.059 109.878 76.267 597 HD2 TYR 84 HD2 TYR 84 44.345 105.631 76.826 598 HE1 TYR 84 HE1 TYR 84 46.478 110.106 76.765 599 HE2 TYR 84 HE2 TYR 84 46.764 105.857 77.320 600 HH TYR 84 HH TYR 84 48.606 107.589 76.718 601 H THR 85 H THR 85 41.588 109.709 74.060 602 HA THR 85 HA THR 85 43.817 110.075 72.106 603 HB THR 85 HB THR 85 41.258 111.635 72.581 604 HG1 THR 85 HG1 THR 85 41.879 109.738 70.572 605 1HG2 THR 85 1HG2 THR 85 41.700 112.578 70.366 606 2HG2 THR 85 2HG2 THR 85 43.174 111.619 70.234 607 3HG2 THR 85 3HG2 THR 85 43.061 112.902 71.440 608 H SER 86 H SER 86 45.366 111.649 72.413 609 HA SER 86 HA SER 86 45.075 113.431 74.809 610 1HB SER 86 1HB SER 86 46.685 111.745 75.272 611 2HB SER 86 2HB SER 86 47.403 111.887 73.670 612 HG SER 86 HG SER 86 47.622 113.558 75.909 613 H GLY 87 H GLY 87 46.495 115.489 74.546 614 1HA GLY 87 1HA GLY 87 46.997 116.196 71.698 615 2HA GLY 87 2HA GLY 87 45.966 117.252 72.661 616 H VAL 88 H VAL 88 48.930 117.178 71.477 617 HA VAL 88 HA VAL 88 50.114 118.659 73.802 618 HB VAL 88 HB VAL 88 52.294 117.580 73.172 619 1HG1 VAL 88 1HG1 VAL 88 51.185 116.633 75.044 620 2HG1 VAL 88 2HG1 VAL 88 51.597 115.260 74.016 621 3HG1 VAL 88 3HG1 VAL 88 49.948 115.886 74.033 622 1HG2 VAL 88 1HG2 VAL 88 51.531 117.018 70.817 623 2HG2 VAL 88 2HG2 VAL 88 50.568 115.715 71.515 624 3HG2 VAL 88 3HG2 VAL 88 52.326 115.694 71.669 625 H LEU 89 H LEU 89 51.612 120.321 73.174 626 HA LEU 89 HA LEU 89 51.236 121.245 70.350 627 1HB LEU 89 1HB LEU 89 51.829 122.670 72.960 628 2HB LEU 89 2HB LEU 89 51.765 123.482 71.396 629 HG LEU 89 HG LEU 89 49.416 122.149 71.299 630 1HD1 LEU 89 1HD1 LEU 89 50.148 121.508 73.816 631 2HD1 LEU 89 2HD1 LEU 89 48.463 121.726 73.345 632 3HD1 LEU 89 3HD1 LEU 89 49.333 123.037 74.139 633 1HD2 LEU 89 1HD2 LEU 89 49.268 124.424 70.891 634 2HD2 LEU 89 2HD2 LEU 89 50.217 124.848 72.315 635 3HD2 LEU 89 3HD2 LEU 89 48.529 124.368 72.491 636 H LEU 90 H LEU 90 53.040 121.839 69.131 637 HA LEU 90 HA LEU 90 55.730 121.271 70.340 638 1HB LEU 90 1HB LEU 90 54.664 119.698 68.581 639 2HB LEU 90 2HB LEU 90 54.977 120.995 67.426 640 HG LEU 90 HG LEU 90 57.392 120.971 68.276 641 1HD1 LEU 90 1HD1 LEU 90 56.207 118.627 69.707 642 2HD1 LEU 90 2HD1 LEU 90 57.436 119.768 70.252 643 3HD1 LEU 90 3HD1 LEU 90 57.863 118.490 69.115 644 1HD2 LEU 90 1HD2 LEU 90 56.290 119.766 66.178 645 2HD2 LEU 90 2HD2 LEU 90 56.725 118.309 67.072 646 3HD2 LEU 90 3HD2 LEU 90 57.974 119.465 66.607 647 H GLU 91 H GLU 91 57.416 122.780 69.788 648 HA GLU 91 HA GLU 91 56.499 125.436 68.941 649 1HB GLU 91 1HB GLU 91 58.068 125.016 70.819 650 2HB GLU 91 2HB GLU 91 59.232 124.342 69.677 651 1HG GLU 91 1HG GLU 91 59.309 126.499 68.477 652 2HG GLU 91 2HG GLU 91 58.149 127.176 69.618 653 H THR 92 H THR 92 58.291 122.744 67.520 654 HA THR 92 HA THR 92 58.669 124.399 65.043 655 HB THR 92 HB THR 92 60.716 123.018 64.697 656 HG1 THR 92 HG1 THR 92 60.147 122.037 67.292 657 1HG2 THR 92 1HG2 THR 92 62.052 124.140 66.304 658 2HG2 THR 92 2HG2 THR 92 60.748 124.156 67.492 659 3HG2 THR 92 3HG2 THR 92 60.654 125.190 66.067 660 H GLU 93 H GLU 93 58.899 122.926 63.047 661 HA GLU 93 HA GLU 93 56.586 121.110 62.968 662 1HB GLU 93 1HB GLU 93 58.568 122.193 60.954 663 2HB GLU 93 2HB GLU 93 57.245 121.113 60.514 664 1HG GLU 93 1HG GLU 93 55.619 122.715 61.452 665 2HG GLU 93 2HG GLU 93 56.940 123.798 61.889 666 H GLN 94 H GLN 94 59.572 120.476 64.108 667 HA GLN 94 HA GLN 94 59.517 117.711 63.022 668 1HB GLN 94 1HB GLN 94 61.983 117.863 62.642 669 2HB GLN 94 2HB GLN 94 61.075 118.997 61.644 670 1HG GLN 94 1HG GLN 94 61.551 120.810 63.238 671 2HG GLN 94 2HG GLN 94 62.427 119.683 64.273 672 1HE2 GLN 94 1HE2 GLN 94 63.595 122.053 62.963 673 2HE2 GLN 94 2HE2 GLN 94 64.802 121.483 61.914 674 H GLY 95 H GLY 95 60.212 116.153 64.650 675 1HA GLY 95 1HA GLY 95 61.852 116.842 66.882 676 2HA GLY 95 2HA GLY 95 60.173 117.015 67.373 677 H GLN 96 H GLN 96 61.951 115.223 68.547 678 HA GLN 96 HA GLN 96 60.898 112.526 67.702 679 1HB GLN 96 1HB GLN 96 63.430 113.212 69.234 680 2HB GLN 96 2HB GLN 96 62.987 111.639 68.579 681 1HG GLN 96 1HG GLN 96 62.921 112.889 66.285 682 2HG GLN 96 2HG GLN 96 63.885 114.109 67.118 683 1HE2 GLN 96 1HE2 GLN 96 64.537 111.902 64.983 684 2HE2 GLN 96 2HE2 GLN 96 65.932 111.167 65.612 685 H MET 97 H MET 97 59.584 111.579 69.257 686 HA MET 97 HA MET 97 59.801 112.608 72.071 687 1HB MET 97 1HB MET 97 57.879 113.440 70.669 688 2HB MET 97 2HB MET 97 57.311 111.774 70.567 689 1HG MET 97 1HG MET 97 56.974 111.649 72.934 690 2HG MET 97 2HG MET 97 57.835 113.164 73.197 691 1HE MET 97 1HE MET 97 54.297 113.558 74.321 692 2HE MET 97 2HE MET 97 55.431 112.210 74.313 693 3HE MET 97 3HE MET 97 53.973 112.130 73.327 694 H GLN 98 H GLN 98 60.306 110.964 73.493 695 HA GLN 98 HA GLN 98 59.427 108.159 72.853 696 1HB GLN 98 1HB GLN 98 61.835 109.189 74.405 697 2HB GLN 98 2HB GLN 98 61.487 107.502 74.029 698 1HG GLN 98 1HG GLN 98 61.528 108.196 71.568 699 2HG GLN 98 2HG GLN 98 62.234 109.715 72.112 700 1HE2 GLN 98 1HE2 GLN 98 64.443 109.707 72.790 701 2HE2 GLN 98 2HE2 GLN 98 65.426 108.324 72.720 702 H GLY 99 H GLY 99 58.588 106.975 74.742 703 1HA GLY 99 1HA GLY 99 58.454 108.484 77.294 704 2HA GLY 99 2HA GLY 99 56.911 108.167 76.511 705 H HIS 100 H HIS 100 57.175 107.157 78.979 706 HA HIS 100 HA HIS 100 57.396 104.246 78.452 707 1HB HIS 100 1HB HIS 100 59.328 105.690 79.773 708 2HB HIS 100 2HB HIS 100 58.308 105.179 81.117 709 HD1 HIS 100 HD1 HIS 100 61.189 104.080 79.467 710 HD2 HIS 100 HD2 HIS 100 57.677 102.136 80.585 711 HE1 HIS 100 HE1 HIS 100 61.729 101.607 79.533 712 H TYR 101 H TYR 101 56.013 102.974 79.909 713 HA TYR 101 HA TYR 101 53.907 104.628 81.246 714 1HB TYR 101 1HB TYR 101 53.869 102.079 79.632 715 2HB TYR 101 2HB TYR 101 52.531 102.471 80.704 716 HD1 TYR 101 HD1 TYR 101 52.336 105.428 80.400 717 HD2 TYR 101 HD2 TYR 101 53.042 102.363 77.470 718 HE1 TYR 101 HE1 TYR 101 51.385 106.889 78.637 719 HE2 TYR 101 HE2 TYR 101 52.090 103.826 75.713 720 HH TYR 101 HH TYR 101 50.242 106.476 76.330 721 H ASP 102 H ASP 102 53.750 104.247 83.499 722 HA ASP 102 HA ASP 102 55.229 101.946 84.664 723 1HB ASP 102 1HB ASP 102 53.718 104.341 85.777 724 2HB ASP 102 2HB ASP 102 54.476 103.120 86.796 725 H MET 103 H MET 103 54.256 100.079 84.898 726 HA MET 103 HA MET 103 51.264 99.967 85.219 727 1HB MET 103 1HB MET 103 53.236 98.113 83.854 728 2HB MET 103 2HB MET 103 51.506 97.806 84.002 729 1HG MET 103 1HG MET 103 52.606 100.316 82.725 730 2HG MET 103 2HG MET 103 52.263 98.854 81.800 731 1HE MET 103 1HE MET 103 48.860 97.948 82.918 732 2HE MET 103 2HE MET 103 50.415 97.516 82.213 733 3HE MET 103 3HE MET 103 49.177 98.261 81.205 734 H VAL 104 H VAL 104 50.519 98.065 86.462 735 HA VAL 104 HA VAL 104 52.554 96.860 88.287 736 HB VAL 104 HB VAL 104 50.897 97.353 90.172 737 1HG1 VAL 104 1HG1 VAL 104 51.894 99.926 89.010 738 2HG1 VAL 104 2HG1 VAL 104 53.057 98.668 89.430 739 3HG1 VAL 104 3HG1 VAL 104 51.991 99.334 90.668 740 1HG2 VAL 104 1HG2 VAL 104 49.837 99.393 88.191 741 2HG2 VAL 104 2HG2 VAL 104 49.291 99.141 89.848 742 3HG2 VAL 104 3HG2 VAL 104 48.984 97.913 88.624 743 H ALA 105 H ALA 105 52.177 94.682 88.463 744 HA ALA 105 HA ALA 105 49.862 93.402 87.220 745 1HB ALA 105 1HB ALA 105 52.319 92.596 87.560 746 2HB ALA 105 2HB ALA 105 51.026 91.417 87.779 747 3HB ALA 105 3HB ALA 105 51.789 92.159 89.185 748 H ASP 106 H ASP 106 48.439 91.887 88.499 749 HA ASP 106 HA ASP 106 47.091 93.276 90.615 750 1HB ASP 106 1HB ASP 106 45.804 91.178 90.772 751 2HB ASP 106 2HB ASP 106 46.082 91.606 89.086 752 H ASP 107 H ASP 107 49.721 90.934 90.642 753 HA ASP 107 HA ASP 107 49.519 90.277 93.466 754 1HB ASP 107 1HB ASP 107 51.641 89.972 91.330 755 2HB ASP 107 2HB ASP 107 51.826 89.326 92.961 756 H GLY 108 H GLY 108 50.672 93.066 91.827 757 1HA GLY 108 1HA GLY 108 51.346 95.011 93.138 758 2HA GLY 108 2HA GLY 108 52.069 93.918 94.315 759 H THR 109 H THR 109 52.995 92.520 91.523 760 HA THR 109 HA THR 109 55.723 93.277 91.684 761 HB THR 109 HB THR 109 54.179 92.287 89.265 762 HG1 THR 109 HG1 THR 109 55.366 90.848 91.401 763 1HG2 THR 109 1HG2 THR 109 56.415 92.830 88.633 764 2HG2 THR 109 2HG2 THR 109 56.394 91.085 88.881 765 3HG2 THR 109 3HG2 THR 109 57.074 92.142 90.117 766 H GLU 110 H GLU 110 56.862 95.019 90.778 767 HA GLU 110 HA GLU 110 55.254 97.029 89.282 768 1HB GLU 110 1HB GLU 110 57.880 97.083 90.794 769 2HB GLU 110 2HB GLU 110 57.271 98.471 89.892 770 1HG GLU 110 1HG GLU 110 55.202 98.445 91.238 771 2HG GLU 110 2HG GLU 110 55.809 97.059 92.143 772 H PHE 111 H PHE 111 55.768 97.624 87.198 773 HA PHE 111 HA PHE 111 58.331 96.946 85.939 774 1HB PHE 111 1HB PHE 111 57.434 95.315 84.394 775 2HB PHE 111 2HB PHE 111 56.986 94.801 86.017 776 HD1 PHE 111 HD1 PHE 111 55.786 95.923 82.772 777 HD2 PHE 111 HD2 PHE 111 54.647 95.200 86.850 778 HE1 PHE 111 HE1 PHE 111 53.398 95.931 82.105 779 HE2 PHE 111 HE2 PHE 111 52.258 95.209 86.181 780 HZ PHE 111 HZ PHE 111 51.634 95.573 83.810 781 H ILE 112 H ILE 112 58.690 98.233 84.166 782 HA ILE 112 HA ILE 112 56.595 100.254 83.547 783 HB ILE 112 HB ILE 112 58.533 101.513 82.640 784 1HG1 ILE 112 1HG1 ILE 112 60.282 99.260 83.646 785 2HG1 ILE 112 2HG1 ILE 112 59.750 99.336 81.965 786 1HG2 ILE 112 1HG2 ILE 112 59.491 100.458 85.269 787 2HG2 ILE 112 2HG2 ILE 112 57.897 101.209 85.205 788 3HG2 ILE 112 3HG2 ILE 112 59.322 102.127 84.723 789 1HD1 ILE 112 1HD1 ILE 112 61.682 100.555 81.743 790 2HD1 ILE 112 2HD1 ILE 112 61.672 101.073 83.429 791 3HD1 ILE 112 3HD1 ILE 112 60.624 101.869 82.256 792 H ALA 113 H ALA 113 56.174 100.833 81.314 793 HA ALA 113 HA ALA 113 56.780 98.659 79.337 794 1HB ALA 113 1HB ALA 113 54.299 100.103 80.159 795 2HB ALA 113 2HB ALA 113 54.497 98.430 79.639 796 3HB ALA 113 3HB ALA 113 54.469 99.728 78.444 797 HA PRO 114 HA PRO 114 58.760 102.457 77.715 798 1HB PRO 114 1HB PRO 114 60.124 101.191 75.727 799 2HB PRO 114 2HB PRO 114 60.718 101.270 77.398 800 1HG PRO 114 1HG PRO 114 59.320 99.050 75.992 801 2HG PRO 114 2HG PRO 114 60.690 98.990 77.112 802 1HD PRO 114 1HD PRO 114 58.167 98.395 77.869 803 2HD PRO 114 2HD PRO 114 59.352 99.130 78.971 804 H ILE 115 H ILE 115 58.204 103.709 76.054 805 HA ILE 115 HA ILE 115 56.185 102.670 74.079 806 HB ILE 115 HB ILE 115 56.780 105.505 75.001 807 1HG1 ILE 115 1HG1 ILE 115 54.440 103.750 75.803 808 2HG1 ILE 115 2HG1 ILE 115 55.885 103.930 76.799 809 1HG2 ILE 115 1HG2 ILE 115 54.558 104.266 73.362 810 2HG2 ILE 115 2HG2 ILE 115 55.731 105.471 72.830 811 3HG2 ILE 115 3HG2 ILE 115 54.495 105.904 74.013 812 1HD1 ILE 115 1HD1 ILE 115 54.392 105.560 77.645 813 2HD1 ILE 115 2HD1 ILE 115 53.869 106.037 76.030 814 3HD1 ILE 115 3HD1 ILE 115 55.482 106.471 76.599 815 H ALA 116 H ALA 116 56.996 102.416 72.059 816 HA ALA 116 HA ALA 116 59.581 102.910 71.151 817 1HB ALA 116 1HB ALA 116 58.516 102.785 68.885 818 2HB ALA 116 2HB ALA 116 56.941 102.958 69.662 819 3HB ALA 116 3HB ALA 116 57.936 101.541 69.993 820 H ALA 117 H ALA 117 60.446 104.548 69.662 821 HA ALA 117 HA ALA 117 59.577 107.271 70.386 822 1HB ALA 117 1HB ALA 117 61.871 106.292 68.665 823 2HB ALA 117 2HB ALA 117 61.950 106.402 70.424 824 3HB ALA 117 3HB ALA 117 61.734 107.862 69.457 825 H PHE 118 H PHE 118 58.260 108.423 69.068 826 HA PHE 118 HA PHE 118 58.118 107.685 66.164 827 1HB PHE 118 1HB PHE 118 55.814 108.704 66.311 828 2HB PHE 118 2HB PHE 118 56.016 107.271 67.311 829 HD1 PHE 118 HD1 PHE 118 56.106 107.432 69.747 830 HD2 PHE 118 HD2 PHE 118 55.622 110.931 67.305 831 HE1 PHE 118 HE1 PHE 118 55.417 108.729 71.745 832 HE2 PHE 118 HE2 PHE 118 54.935 112.231 69.303 833 HZ PHE 118 HZ PHE 118 54.831 111.126 71.523 834 H VAL 119 H VAL 119 57.878 109.585 64.692 835 HA VAL 119 HA VAL 119 59.134 112.036 65.877 836 HB VAL 119 HB VAL 119 59.295 110.855 63.081 837 1HG1 VAL 119 1HG1 VAL 119 60.825 113.167 64.314 838 2HG1 VAL 119 2HG1 VAL 119 59.487 113.346 63.179 839 3HG1 VAL 119 3HG1 VAL 119 60.984 112.567 62.664 840 1HG2 VAL 119 1HG2 VAL 119 60.535 109.487 64.655 841 2HG2 VAL 119 2HG2 VAL 119 61.253 110.917 65.399 842 3HG2 VAL 119 3HG2 VAL 119 61.696 110.463 63.752 843 H LEU 120 H LEU 120 58.416 114.073 65.027 844 HA LEU 120 HA LEU 120 55.672 113.983 63.821 845 1HB LEU 120 1HB LEU 120 57.046 115.862 65.763 846 2HB LEU 120 2HB LEU 120 55.536 116.285 64.962 847 HG LEU 120 HG LEU 120 54.557 114.136 65.886 848 1HD1 LEU 120 1HD1 LEU 120 57.305 114.013 67.008 849 2HD1 LEU 120 2HD1 LEU 120 56.197 112.704 66.594 850 3HD1 LEU 120 3HD1 LEU 120 55.996 113.581 68.110 851 1HD2 LEU 120 1HD2 LEU 120 54.040 115.127 67.997 852 2HD2 LEU 120 2HD2 LEU 120 54.324 116.475 66.896 853 3HD2 LEU 120 3HD2 LEU 120 55.573 115.997 68.044 854 H SER 121 H SER 121 55.479 114.949 61.834 855 HA SER 121 HA SER 121 57.322 117.115 61.010 856 1HB SER 121 1HB SER 121 58.020 115.804 59.014 857 2HB SER 121 2HB SER 121 58.519 115.023 60.512 858 HG SER 121 HG SER 121 57.494 113.382 59.662 Start of MODEL 15 1 H ARG 6 1H ARG 6 56.246 86.516 82.172 2 HA ARG 6 HA ARG 6 53.298 86.322 82.067 3 1HB ARG 6 1HB ARG 6 55.372 86.717 84.242 4 2HB ARG 6 2HB ARG 6 53.638 86.668 84.568 5 1HG ARG 6 1HG ARG 6 53.505 84.423 83.552 6 2HG ARG 6 2HG ARG 6 55.239 84.467 83.229 7 1HD ARG 6 1HD ARG 6 53.992 84.664 85.995 8 2HD ARG 6 2HD ARG 6 54.755 83.211 85.319 9 HE ARG 6 HE ARG 6 56.716 85.059 84.939 10 1HH1 ARG 6 1HH2 ARG 6 55.039 86.390 87.255 11 2HH1 ARG 6 2HH2 ARG 6 56.044 85.973 88.603 12 1HH2 ARG 6 2HH1 ARG 6 57.883 83.620 86.840 13 2HH2 ARG 6 1HH1 ARG 6 57.655 84.404 88.367 14 H TYR 7 H TYR 7 55.761 88.799 82.074 15 HA TYR 7 HA TYR 7 53.656 90.884 82.552 16 1HB TYR 7 1HB TYR 7 56.657 90.911 83.028 17 2HB TYR 7 2HB TYR 7 55.567 92.258 83.360 18 HD1 TYR 7 HD1 TYR 7 53.332 91.398 84.721 19 HD2 TYR 7 HD2 TYR 7 57.256 89.657 84.888 20 HE1 TYR 7 HE1 TYR 7 52.807 90.423 86.940 21 HE2 TYR 7 HE2 TYR 7 56.730 88.683 87.107 22 HH TYR 7 HH TYR 7 54.981 89.395 89.057 23 H ARG 8 H ARG 8 53.061 91.573 80.534 24 HA ARG 8 HA ARG 8 55.141 92.695 78.720 25 1HB ARG 8 1HB ARG 8 53.183 90.479 78.054 26 2HB ARG 8 2HB ARG 8 54.042 91.410 76.828 27 1HG ARG 8 1HG ARG 8 56.201 90.736 77.940 28 2HG ARG 8 2HG ARG 8 55.264 89.656 78.974 29 1HD ARG 8 1HD ARG 8 54.420 88.461 76.980 30 2HD ARG 8 2HD ARG 8 55.370 89.540 75.938 31 HE ARG 8 HE ARG 8 57.415 88.658 77.040 32 1HH1 ARG 8 2HH1 ARG 8 55.801 87.507 79.405 33 2HH1 ARG 8 1HH1 ARG 8 55.932 85.811 79.078 34 1HH2 ARG 8 1HH2 ARG 8 57.002 86.253 75.809 35 2HH2 ARG 8 2HH2 ARG 8 56.612 85.100 77.043 36 H VAL 9 H VAL 9 54.427 94.530 77.786 37 HA VAL 9 HA VAL 9 51.525 95.063 77.400 38 HB VAL 9 HB VAL 9 53.396 96.755 79.102 39 1HG1 VAL 9 1HG1 VAL 9 51.829 98.407 79.076 40 2HG1 VAL 9 2HG1 VAL 9 50.483 97.269 79.112 41 3HG1 VAL 9 3HG1 VAL 9 51.286 97.637 77.587 42 1HG2 VAL 9 1HG2 VAL 9 52.734 94.852 80.399 43 2HG2 VAL 9 2HG2 VAL 9 51.080 94.928 79.791 44 3HG2 VAL 9 3HG2 VAL 9 51.670 96.169 80.896 45 H GLU 10 H GLU 10 51.478 95.703 75.315 46 HA GLU 10 HA GLU 10 53.724 97.346 74.155 47 1HB GLU 10 1HB GLU 10 51.579 95.520 73.033 48 2HB GLU 10 2HB GLU 10 52.657 96.497 72.035 49 1HG GLU 10 1HG GLU 10 54.611 95.367 73.034 50 2HG GLU 10 2HG GLU 10 53.535 94.386 74.029 51 H VAL 11 H VAL 11 53.328 99.387 73.690 52 HA VAL 11 HA VAL 11 50.480 100.335 73.587 53 HB VAL 11 HB VAL 11 53.027 101.743 74.467 54 1HG1 VAL 11 1HG1 VAL 11 50.373 102.859 75.156 55 2HG1 VAL 11 2HG1 VAL 11 50.790 102.939 73.445 56 3HG1 VAL 11 3HG1 VAL 11 51.845 103.685 74.644 57 1HG2 VAL 11 1HG2 VAL 11 51.676 99.849 75.873 58 2HG2 VAL 11 2HG2 VAL 11 50.762 101.284 76.335 59 3HG2 VAL 11 3HG2 VAL 11 52.498 101.211 76.633 60 H GLU 12 H GLU 12 49.896 101.489 71.728 61 HA GLU 12 HA GLU 12 52.076 102.140 69.764 62 1HB GLU 12 1HB GLU 12 49.291 100.991 69.421 63 2HB GLU 12 2HB GLU 12 50.258 101.590 68.073 64 1HG GLU 12 1HG GLU 12 52.051 99.991 68.645 65 2HG GLU 12 2HG GLU 12 51.085 99.389 69.990 66 H VAL 13 H VAL 13 51.998 104.195 68.926 67 HA VAL 13 HA VAL 13 49.606 105.908 69.542 68 HB VAL 13 HB VAL 13 52.568 106.557 69.730 69 1HG1 VAL 13 1HG1 VAL 13 50.071 108.214 69.950 70 2HG1 VAL 13 2HG1 VAL 13 51.596 108.600 69.152 71 3HG1 VAL 13 3HG1 VAL 13 51.487 108.643 70.911 72 1HG2 VAL 13 1HG2 VAL 13 51.655 105.113 71.561 73 2HG2 VAL 13 2HG2 VAL 13 50.458 106.361 71.903 74 3HG2 VAL 13 3HG2 VAL 13 52.172 106.699 72.135 75 H SER 14 H SER 14 48.878 107.136 67.878 76 HA SER 14 HA SER 14 50.543 107.240 65.389 77 1HB SER 14 1HB SER 14 48.655 105.664 65.240 78 2HB SER 14 2HB SER 14 47.541 106.934 65.739 79 HG SER 14 HG SER 14 47.550 106.768 63.494 80 HA PRO 15 HA PRO 15 49.586 111.581 66.363 81 1HB PRO 15 1HB PRO 15 51.788 112.665 65.196 82 2HB PRO 15 2HB PRO 15 51.823 111.956 66.824 83 1HG PRO 15 1HG PRO 15 52.727 110.801 64.237 84 2HG PRO 15 2HG PRO 15 53.465 110.693 65.842 85 1HD PRO 15 1HD PRO 15 52.008 108.686 64.735 86 2HD PRO 15 2HD PRO 15 52.132 108.953 66.487 87 H ARG 16 H ARG 16 49.179 113.456 65.009 88 HA ARG 16 HA ARG 16 49.183 113.162 62.074 89 1HB ARG 16 1HB ARG 16 46.700 113.384 61.961 90 2HB ARG 16 2HB ARG 16 47.191 111.888 62.753 91 1HG ARG 16 1HG ARG 16 46.864 112.954 64.958 92 2HG ARG 16 2HG ARG 16 46.350 114.439 64.161 93 1HD ARG 16 1HD ARG 16 44.390 113.390 63.259 94 2HD ARG 16 2HD ARG 16 44.976 111.774 63.704 95 HE ARG 16 HE ARG 16 44.589 113.776 65.871 96 1HH1 ARG 16 2HH1 ARG 16 42.205 112.258 64.425 97 2HH1 ARG 16 1HH1 ARG 16 41.886 111.054 65.630 98 1HH2 ARG 16 1HH2 ARG 16 44.835 111.622 67.362 99 2HH2 ARG 16 2HH2 ARG 16 43.374 110.694 67.291 100 H PHE 17 H PHE 17 49.487 115.127 61.217 101 HA PHE 17 HA PHE 17 49.893 117.481 62.761 102 1HB PHE 17 1HB PHE 17 50.854 116.959 60.538 103 2HB PHE 17 2HB PHE 17 49.259 117.156 59.812 104 HD1 PHE 17 HD1 PHE 17 51.866 118.949 61.795 105 HD2 PHE 17 HD2 PHE 17 48.461 119.297 59.200 106 HE1 PHE 17 HE1 PHE 17 52.249 121.393 61.622 107 HE2 PHE 17 HE2 PHE 17 48.845 121.741 59.026 108 HZ PHE 17 HZ PHE 17 50.738 122.789 60.236 109 H LEU 18 H LEU 18 48.546 119.171 63.322 110 HA LEU 18 HA LEU 18 45.669 119.055 62.434 111 1HB LEU 18 1HB LEU 18 46.606 118.727 64.937 112 2HB LEU 18 2HB LEU 18 46.567 120.491 64.900 113 HG LEU 18 HG LEU 18 44.185 120.381 64.150 114 1HD1 LEU 18 1HD1 LEU 18 43.136 118.035 64.690 115 2HD1 LEU 18 2HD1 LEU 18 44.771 117.441 64.398 116 3HD1 LEU 18 3HD1 LEU 18 43.903 118.297 63.123 117 1HD2 LEU 18 1HD2 LEU 18 44.403 118.742 66.659 118 2HD2 LEU 18 2HD2 LEU 18 43.358 120.121 66.319 119 3HD2 LEU 18 3HD2 LEU 18 45.075 120.372 66.633 120 H ALA 19 H ALA 19 46.268 120.291 60.574 121 HA ALA 19 HA ALA 19 47.452 122.932 60.583 122 1HB ALA 19 1HB ALA 19 45.337 122.137 58.645 123 2HB ALA 19 2HB ALA 19 46.769 121.112 58.742 124 3HB ALA 19 3HB ALA 19 46.935 122.823 58.351 125 H HIS 20 H HIS 20 44.068 121.833 60.941 126 HA HIS 20 HA HIS 20 42.919 124.468 60.737 127 1HB HIS 20 1HB HIS 20 41.998 121.836 61.928 128 2HB HIS 20 2HB HIS 20 40.949 123.250 61.815 129 HD1 HIS 20 HD1 HIS 20 42.661 120.654 59.713 130 HD2 HIS 20 HD2 HIS 20 40.123 123.916 59.170 131 HE1 HIS 20 HE1 HIS 20 41.841 120.533 57.319 132 H GLN 21 H GLN 21 44.486 122.785 63.361 133 HA GLN 21 HA GLN 21 43.616 124.961 65.239 134 1HB GLN 21 1HB GLN 21 42.887 122.536 65.614 135 2HB GLN 21 2HB GLN 21 44.583 122.184 65.947 136 1HG GLN 21 1HG GLN 21 44.620 123.715 67.804 137 2HG GLN 21 2HG GLN 21 43.024 124.344 67.388 138 1HE2 GLN 21 1HE2 GLN 21 43.717 123.104 69.959 139 2HE2 GLN 21 2HE2 GLN 21 42.758 121.711 70.109 140 H SER 22 H SER 22 46.049 124.711 63.324 141 HA SER 22 HA SER 22 48.111 125.258 65.424 142 1HB SER 22 1HB SER 22 48.318 123.552 62.932 143 2HB SER 22 2HB SER 22 49.707 124.035 63.898 144 HG SER 22 HG SER 22 47.875 122.089 64.338 145 H THR 23 H THR 23 49.384 127.065 64.974 146 HA THR 23 HA THR 23 49.079 128.337 62.272 147 HB THR 23 HB THR 23 49.553 129.620 64.988 148 HG1 THR 23 HG1 THR 23 47.457 129.790 65.145 149 1HG2 THR 23 1HG2 THR 23 49.049 130.710 62.216 150 2HG2 THR 23 2HG2 THR 23 50.414 131.045 63.282 151 3HG2 THR 23 3HG2 THR 23 48.814 131.679 63.670 152 HA PRO 24 HA PRO 24 53.448 127.061 62.863 153 1HB PRO 24 1HB PRO 24 54.099 127.041 60.208 154 2HB PRO 24 2HB PRO 24 53.333 125.668 61.030 155 1HG PRO 24 1HG PRO 24 52.109 127.759 59.304 156 2HG PRO 24 2HG PRO 24 51.781 126.020 59.377 157 1HD PRO 24 1HD PRO 24 50.182 127.874 60.539 158 2HD PRO 24 2HD PRO 24 50.371 126.224 61.169 159 H ASP 25 H ASP 25 52.047 129.709 60.996 160 HA ASP 25 HA ASP 25 54.505 131.133 60.527 161 1HB ASP 25 1HB ASP 25 52.194 131.359 59.407 162 2HB ASP 25 2HB ASP 25 51.738 132.334 60.805 163 H GLU 26 H GLU 26 52.445 130.857 63.335 164 HA GLU 26 HA GLU 26 53.844 133.170 64.623 165 1HB GLU 26 1HB GLU 26 51.280 132.889 64.439 166 2HB GLU 26 2HB GLU 26 51.462 131.633 65.664 167 1HG GLU 26 1HG GLU 26 50.974 133.718 66.796 168 2HG GLU 26 2HG GLU 26 52.661 133.307 67.107 169 H GLY 27 H GLY 27 54.740 130.168 64.257 170 1HA GLY 27 1HA GLY 27 56.073 128.716 65.528 171 2HA GLY 27 2HA GLY 27 56.101 129.950 66.788 172 H ARG 28 H ARG 28 53.115 128.640 65.508 173 HA ARG 28 HA ARG 28 52.640 127.273 68.140 174 1HB ARG 28 1HB ARG 28 51.375 129.402 67.615 175 2HB ARG 28 2HB ARG 28 50.624 128.545 66.269 176 1HG ARG 28 1HG ARG 28 49.086 128.315 68.066 177 2HG ARG 28 2HG ARG 28 49.935 126.771 67.994 178 1HD ARG 28 1HD ARG 28 49.995 127.320 70.301 179 2HD ARG 28 2HD ARG 28 51.578 127.874 69.717 180 HE ARG 28 HE ARG 28 49.991 130.071 69.278 181 1HH1 ARG 28 2HH1 ARG 28 48.296 128.875 71.528 182 2HH1 ARG 28 1HH1 ARG 28 48.948 129.699 72.905 183 1HH2 ARG 28 1HH2 ARG 28 51.800 130.766 71.248 184 2HH2 ARG 28 2HH2 ARG 28 50.932 130.770 72.745 185 H TYR 29 H TYR 29 53.255 125.155 67.407 186 HA TYR 29 HA TYR 29 51.721 124.057 65.081 187 1HB TYR 29 1HB TYR 29 54.181 123.041 66.549 188 2HB TYR 29 2HB TYR 29 53.489 122.334 65.094 189 HD1 TYR 29 HD1 TYR 29 55.262 125.269 66.476 190 HD2 TYR 29 HD2 TYR 29 53.793 123.355 62.923 191 HE1 TYR 29 HE1 TYR 29 56.583 126.840 65.084 192 HE2 TYR 29 HE2 TYR 29 55.114 124.926 61.531 193 HH TYR 29 HH TYR 29 56.099 127.182 61.740 194 H ALA 30 H ALA 30 50.084 122.627 65.561 195 HA ALA 30 HA ALA 30 50.050 121.472 68.324 196 1HB ALA 30 1HB ALA 30 47.812 122.016 68.467 197 2HB ALA 30 2HB ALA 30 47.538 121.772 66.742 198 3HB ALA 30 3HB ALA 30 48.314 123.250 67.312 199 H PHE 31 H PHE 31 50.328 119.290 68.332 200 HA PHE 31 HA PHE 31 49.407 117.696 65.960 201 1HB PHE 31 1HB PHE 31 51.707 117.424 67.907 202 2HB PHE 31 2HB PHE 31 51.186 116.076 66.899 203 HD1 PHE 31 HD1 PHE 31 52.573 119.516 66.854 204 HD2 PHE 31 HD2 PHE 31 51.631 116.019 64.544 205 HE1 PHE 31 HE1 PHE 31 53.884 120.416 64.951 206 HE2 PHE 31 HE2 PHE 31 52.939 116.922 62.641 207 HZ PHE 31 HZ PHE 31 54.066 119.122 62.845 208 H ALA 32 H ALA 32 47.944 116.019 66.405 209 HA ALA 32 HA ALA 32 47.213 115.571 69.281 210 1HB ALA 32 1HB ALA 32 45.469 116.550 67.841 211 2HB ALA 32 2HB ALA 32 45.031 114.897 68.272 212 3HB ALA 32 3HB ALA 32 45.685 115.247 66.672 213 H TYR 33 H TYR 33 47.587 113.485 70.054 214 HA TYR 33 HA TYR 33 48.125 111.380 67.986 215 1HB TYR 33 1HB TYR 33 49.971 110.606 69.335 216 2HB TYR 33 2HB TYR 33 50.150 112.341 69.110 217 HD1 TYR 33 HD1 TYR 33 49.865 109.664 71.489 218 HD2 TYR 33 HD2 TYR 33 49.324 113.893 70.994 219 HE1 TYR 33 HE1 TYR 33 49.964 109.959 73.946 220 HE2 TYR 33 HE2 TYR 33 49.415 114.187 73.454 221 HH TYR 33 HH TYR 33 50.641 112.017 75.519 222 H SER 34 H SER 34 47.299 109.321 68.396 223 HA SER 34 HA SER 34 45.376 109.117 70.676 224 1HB SER 34 1HB SER 34 44.535 108.825 68.371 225 2HB SER 34 2HB SER 34 45.721 107.552 68.092 226 HG SER 34 HG SER 34 43.642 107.547 70.032 227 H ILE 35 H ILE 35 45.661 107.527 72.221 228 HA ILE 35 HA ILE 35 48.206 105.934 72.127 229 HB ILE 35 HB ILE 35 46.315 106.746 74.353 230 1HG1 ILE 35 1HG1 ILE 35 48.587 108.045 74.891 231 2HG1 ILE 35 2HG1 ILE 35 48.786 107.926 73.144 232 1HG2 ILE 35 1HG2 ILE 35 48.548 106.116 75.645 233 2HG2 ILE 35 2HG2 ILE 35 48.803 105.076 74.244 234 3HG2 ILE 35 3HG2 ILE 35 47.363 104.873 75.242 235 1HD1 ILE 35 1HD1 ILE 35 47.402 109.925 74.350 236 2HD1 ILE 35 2HD1 ILE 35 46.099 108.770 74.071 237 3HD1 ILE 35 3HD1 ILE 35 47.060 109.359 72.715 238 H ARG 36 H ARG 36 48.120 103.796 71.923 239 HA ARG 36 HA ARG 36 45.514 102.365 72.372 240 1HB ARG 36 1HB ARG 36 47.765 101.785 70.416 241 2HB ARG 36 2HB ARG 36 46.252 100.890 70.534 242 1HG ARG 36 1HG ARG 36 45.156 103.260 70.183 243 2HG ARG 36 2HG ARG 36 46.732 103.671 69.508 244 1HD ARG 36 1HD ARG 36 45.144 101.247 68.608 245 2HD ARG 36 2HD ARG 36 45.071 102.821 67.790 246 HE ARG 36 HE ARG 36 47.718 101.517 68.246 247 1HH1 ARG 36 1HH2 ARG 36 46.309 103.973 66.578 248 2HH1 ARG 36 2HH2 ARG 36 46.833 103.485 65.001 249 1HH2 ARG 36 2HH1 ARG 36 47.957 100.376 66.047 250 2HH2 ARG 36 1HH1 ARG 36 47.766 101.447 64.700 251 H ILE 37 H ILE 37 45.955 101.648 74.479 252 HA ILE 37 HA ILE 37 48.512 100.251 75.088 253 HB ILE 37 HB ILE 37 46.068 100.948 76.754 254 1HG1 ILE 37 1HG1 ILE 37 48.773 102.315 76.683 255 2HG1 ILE 37 2HG1 ILE 37 47.385 102.883 75.754 256 1HG2 ILE 37 1HG2 ILE 37 47.244 100.243 78.636 257 2HG2 ILE 37 2HG2 ILE 37 48.812 100.432 77.853 258 3HG2 ILE 37 3HG2 ILE 37 47.786 99.057 77.450 259 1HD1 ILE 37 1HD1 ILE 37 46.078 103.082 77.849 260 2HD1 ILE 37 2HD1 ILE 37 47.527 104.086 77.893 261 3HD1 ILE 37 3HD1 ILE 37 47.488 102.556 78.767 262 H GLN 38 H GLN 38 48.588 98.091 74.598 263 HA GLN 38 HA GLN 38 46.096 96.456 74.985 264 1HB GLN 38 1HB GLN 38 47.119 94.967 73.228 265 2HB GLN 38 2HB GLN 38 46.746 96.582 72.631 266 1HG GLN 38 1HG GLN 38 48.998 97.232 72.597 267 2HG GLN 38 2HG GLN 38 49.479 95.974 73.736 268 1HE2 GLN 38 1HE2 GLN 38 50.247 94.030 72.849 269 2HE2 GLN 38 2HE2 GLN 38 50.135 93.619 71.206 270 H ASN 39 H ASN 39 46.252 94.694 76.278 271 HA ASN 39 HA ASN 39 48.717 94.438 77.875 272 1HB ASN 39 1HB ASN 39 46.429 94.602 78.870 273 2HB ASN 39 2HB ASN 39 46.024 93.056 78.124 274 1HD2 ASN 39 1HD2 ASN 39 46.432 93.932 81.081 275 2HD2 ASN 39 2HD2 ASN 39 47.498 92.762 81.695 276 H ALA 40 H ALA 40 50.252 92.954 77.251 277 HA ALA 40 HA ALA 40 49.346 90.472 75.822 278 1HB ALA 40 1HB ALA 40 50.708 92.108 74.511 279 2HB ALA 40 2HB ALA 40 51.541 90.568 74.723 280 3HB ALA 40 3HB ALA 40 51.993 91.959 75.709 281 H GLY 41 H GLY 41 50.161 91.390 78.840 282 1HA GLY 41 1HA GLY 41 52.234 89.397 79.417 283 2HA GLY 41 2HA GLY 41 51.425 90.426 80.600 284 H ALA 42 H ALA 42 51.655 87.928 81.447 285 HA ALA 42 HA ALA 42 49.372 86.270 80.616 286 1HB ALA 42 1HB ALA 42 51.652 85.400 81.170 287 2HB ALA 42 2HB ALA 42 50.384 84.668 82.153 288 3HB ALA 42 3HB ALA 42 51.408 85.933 82.833 289 H VAL 43 H VAL 43 50.380 88.244 83.347 290 HA VAL 43 HA VAL 43 47.800 87.699 84.758 291 HB VAL 43 HB VAL 43 50.430 88.984 85.601 292 1HG1 VAL 43 1HG1 VAL 43 48.327 89.771 86.824 293 2HG1 VAL 43 2HG1 VAL 43 49.590 89.067 87.833 294 3HG1 VAL 43 3HG1 VAL 43 48.167 88.115 87.409 295 1HG2 VAL 43 1HG2 VAL 43 49.201 86.271 86.180 296 2HG2 VAL 43 2HG2 VAL 43 50.666 86.889 86.943 297 3HG2 VAL 43 3HG2 VAL 43 50.638 86.584 85.206 298 HA PRO 44 HA PRO 44 46.087 91.514 83.409 299 1HB PRO 44 1HB PRO 44 44.679 92.262 85.643 300 2HB PRO 44 2HB PRO 44 44.118 91.029 84.494 301 1HG PRO 44 1HG PRO 44 45.546 90.672 87.095 302 2HG PRO 44 2HG PRO 44 44.126 89.815 86.467 303 1HD PRO 44 1HD PRO 44 46.530 88.699 86.340 304 2HD PRO 44 2HD PRO 44 45.383 88.529 84.997 305 H ALA 45 H ALA 45 46.652 93.676 83.515 306 HA ALA 45 HA ALA 45 48.302 94.633 85.833 307 1HB ALA 45 1HB ALA 45 48.967 94.353 82.926 308 2HB ALA 45 2HB ALA 45 49.971 94.021 84.337 309 3HB ALA 45 3HB ALA 45 49.676 95.687 83.836 310 H ARG 46 H ARG 46 48.241 96.880 86.137 311 HA ARG 46 HA ARG 46 46.291 98.417 84.450 312 1HB ARG 46 1HB ARG 46 45.570 99.472 86.587 313 2HB ARG 46 2HB ARG 46 45.332 97.727 86.610 314 1HG ARG 46 1HG ARG 46 47.366 97.409 87.901 315 2HG ARG 46 2HG ARG 46 47.761 99.122 87.769 316 1HD ARG 46 1HD ARG 46 46.422 99.643 89.528 317 2HD ARG 46 2HD ARG 46 45.069 98.713 88.854 318 HE ARG 46 HE ARG 46 46.115 96.671 89.814 319 1HH1 ARG 46 2HH1 ARG 46 45.675 98.991 91.913 320 2HH1 ARG 46 1HH1 ARG 46 47.082 98.747 92.893 321 1HH2 ARG 46 1HH2 ARG 46 48.644 96.668 90.599 322 2HH2 ARG 46 2HH2 ARG 46 48.763 97.432 92.150 323 H LEU 47 H LEU 47 46.725 100.787 84.459 324 HA LEU 47 HA LEU 47 49.646 101.345 84.677 325 1HB LEU 47 1HB LEU 47 48.196 101.748 82.600 326 2HB LEU 47 2HB LEU 47 47.441 103.060 83.505 327 HG LEU 47 HG LEU 47 50.439 102.882 83.221 328 1HD1 LEU 47 1HD1 LEU 47 48.394 103.767 81.235 329 2HD1 LEU 47 2HD1 LEU 47 49.982 103.051 80.967 330 3HD1 LEU 47 3HD1 LEU 47 49.845 104.753 81.405 331 1HD2 LEU 47 1HD2 LEU 47 49.827 105.497 83.317 332 2HD2 LEU 47 2HD2 LEU 47 50.026 104.529 84.777 333 3HD2 LEU 47 3HD2 LEU 47 48.411 104.861 84.153 334 H VAL 48 H VAL 48 50.273 102.252 86.602 335 HA VAL 48 HA VAL 48 48.302 103.826 88.180 336 HB VAL 48 HB VAL 48 51.063 102.729 88.822 337 1HG1 VAL 48 1HG1 VAL 48 50.041 103.070 91.221 338 2HG1 VAL 48 2HG1 VAL 48 49.013 104.251 90.408 339 3HG1 VAL 48 3HG1 VAL 48 50.766 104.443 90.384 340 1HG2 VAL 48 1HG2 VAL 48 48.379 101.730 89.797 341 2HG2 VAL 48 2HG2 VAL 48 49.944 100.929 89.917 342 3HG2 VAL 48 3HG2 VAL 48 49.152 101.083 88.350 343 H ALA 49 H ALA 49 51.327 104.186 86.400 344 HA ALA 49 HA ALA 49 51.133 107.127 86.871 345 1HB ALA 49 1HB ALA 49 52.833 106.830 88.350 346 2HB ALA 49 2HB ALA 49 53.845 106.660 86.916 347 3HB ALA 49 3HB ALA 49 53.212 105.225 87.724 348 H ARG 50 H ARG 50 52.413 108.384 85.326 349 HA ARG 50 HA ARG 50 53.228 107.017 82.782 350 1HB ARG 50 1HB ARG 50 51.787 108.528 81.519 351 2HB ARG 50 2HB ARG 50 50.808 107.639 82.682 352 1HG ARG 50 1HG ARG 50 51.064 109.619 84.252 353 2HG ARG 50 2HG ARG 50 51.780 110.499 82.901 354 1HD ARG 50 1HD ARG 50 49.742 110.221 81.579 355 2HD ARG 50 2HD ARG 50 49.021 109.227 82.860 356 HE ARG 50 HE ARG 50 49.092 111.220 84.334 357 1HH1 ARG 50 2HH1 ARG 50 47.488 111.901 81.807 358 2HH1 ARG 50 1HH1 ARG 50 48.108 113.478 81.447 359 1HH2 ARG 50 1HH2 ARG 50 50.870 113.158 83.520 360 2HH2 ARG 50 2HH2 ARG 50 50.022 114.190 82.416 361 H HIS 51 H HIS 51 54.886 108.014 81.768 362 HA HIS 51 HA HIS 51 55.718 110.753 82.598 363 1HB HIS 51 1HB HIS 51 56.830 109.122 84.087 364 2HB HIS 51 2HB HIS 51 57.425 108.244 82.679 365 HD1 HIS 51 HD1 HIS 51 59.873 108.806 83.645 366 HD2 HIS 51 HD2 HIS 51 57.676 112.084 82.304 367 HE1 HIS 51 HE1 HIS 51 61.523 110.707 83.361 368 H TRP 52 H TRP 52 55.816 111.812 80.681 369 HA TRP 52 HA TRP 52 56.506 110.359 78.176 370 1HB TRP 52 1HB TRP 52 55.365 113.048 78.952 371 2HB TRP 52 2HB TRP 52 55.859 112.711 77.296 372 HD1 TRP 52 HD1 TRP 52 53.022 112.331 79.621 373 HE1 TRP 52 HE1 TRP 52 51.187 110.856 78.572 374 HE3 TRP 52 HE3 TRP 52 55.603 110.394 75.662 375 HZ2 TRP 52 HZ2 TRP 52 50.857 109.096 76.348 376 HZ3 TRP 52 HZ3 TRP 52 54.502 108.819 74.095 377 HH2 TRP 52 HH2 TRP 52 52.133 108.167 74.434 378 H GLN 53 H GLN 53 58.474 110.620 77.194 379 HA GLN 53 HA GLN 53 60.339 112.737 78.227 380 1HB GLN 53 1HB GLN 53 60.964 110.384 78.682 381 2HB GLN 53 2HB GLN 53 60.852 110.021 76.960 382 1HG GLN 53 1HG GLN 53 62.641 111.654 76.492 383 2HG GLN 53 2HG GLN 53 62.756 112.023 78.213 384 1HE2 GLN 53 1HE2 GLN 53 65.066 111.077 77.010 385 2HE2 GLN 53 2HE2 GLN 53 65.370 109.475 77.483 386 H ILE 54 H ILE 54 59.221 114.174 76.569 387 HA ILE 54 HA ILE 54 59.604 113.481 73.726 388 HB ILE 54 HB ILE 54 58.244 115.379 73.300 389 1HG1 ILE 54 1HG1 ILE 54 58.651 116.313 76.156 390 2HG1 ILE 54 2HG1 ILE 54 59.501 116.984 74.769 391 1HG2 ILE 54 1HG2 ILE 54 56.358 114.562 74.228 392 2HG2 ILE 54 2HG2 ILE 54 56.930 114.844 75.872 393 3HG2 ILE 54 3HG2 ILE 54 57.413 113.385 75.009 394 1HD1 ILE 54 1HD1 ILE 54 57.696 118.445 74.957 395 2HD1 ILE 54 2HD1 ILE 54 56.588 117.168 75.457 396 3HD1 ILE 54 3HD1 ILE 54 57.098 117.283 73.772 397 H THR 55 H THR 55 61.285 114.074 72.499 398 HA THR 55 HA THR 55 63.093 116.278 73.448 399 HB THR 55 HB THR 55 63.725 113.690 71.956 400 HG1 THR 55 HG1 THR 55 64.057 112.917 73.855 401 1HG2 THR 55 1HG2 THR 55 65.486 114.894 71.187 402 2HG2 THR 55 2HG2 THR 55 66.120 114.717 72.822 403 3HG2 THR 55 3HG2 THR 55 65.244 116.180 72.369 404 H ASP 56 H ASP 56 63.303 117.920 72.067 405 HA ASP 56 HA ASP 56 61.883 117.749 69.497 406 1HB ASP 56 1HB ASP 56 61.679 119.598 71.248 407 2HB ASP 56 2HB ASP 56 63.290 120.118 70.752 408 H GLY 57 H GLY 57 62.934 118.916 67.607 409 1HA GLY 57 1HA GLY 57 65.314 117.591 66.806 410 2HA GLY 57 2HA GLY 57 64.591 118.955 65.966 411 H ASN 58 H ASN 58 65.123 120.230 68.964 412 HA ASN 58 HA ASN 58 67.796 121.257 68.128 413 1HB ASN 58 1HB ASN 58 65.562 122.609 68.732 414 2HB ASN 58 2HB ASN 58 66.190 122.424 70.370 415 1HD2 ASN 58 1HD2 ASN 58 67.333 123.434 67.096 416 2HD2 ASN 58 2HD2 ASN 58 68.383 124.637 67.675 417 H GLY 59 H GLY 59 66.712 118.807 69.999 418 1HA GLY 59 1HA GLY 59 68.120 117.501 71.439 419 2HA GLY 59 2HA GLY 59 69.108 118.929 71.726 420 H ARG 60 H ARG 60 66.666 120.589 72.331 421 HA ARG 60 HA ARG 60 66.610 120.240 75.175 422 1HB ARG 60 1HB ARG 60 65.388 121.902 73.095 423 2HB ARG 60 2HB ARG 60 64.278 121.602 74.429 424 1HG ARG 60 1HG ARG 60 65.345 123.247 75.549 425 2HG ARG 60 2HG ARG 60 66.714 122.150 75.693 426 1HD ARG 60 1HD ARG 60 67.452 124.287 74.709 427 2HD ARG 60 2HD ARG 60 67.569 123.004 73.488 428 HE ARG 60 HE ARG 60 65.404 123.805 72.567 429 1HH1 ARG 60 1HH2 ARG 60 65.624 125.475 75.402 430 2HH1 ARG 60 2HH2 ARG 60 65.432 127.057 74.723 431 1HH2 ARG 60 2HH1 ARG 60 65.762 125.979 71.445 432 2HH2 ARG 60 1HH1 ARG 60 65.510 127.343 72.483 433 H THR 61 H THR 61 65.133 119.133 76.510 434 HA THR 61 HA THR 61 62.996 117.572 75.110 435 HB THR 61 HB THR 61 63.633 115.652 76.534 436 HG1 THR 61 HG1 THR 61 65.744 117.319 77.414 437 1HG2 THR 61 1HG2 THR 61 65.500 115.034 75.300 438 2HG2 THR 61 2HG2 THR 61 66.238 116.631 75.424 439 3HG2 THR 61 3HG2 THR 61 64.886 116.368 74.324 440 H GLU 62 H GLU 62 61.088 117.186 76.396 441 HA GLU 62 HA GLU 62 60.959 118.727 78.969 442 1HB GLU 62 1HB GLU 62 58.990 118.372 76.692 443 2HB GLU 62 2HB GLU 62 58.542 119.078 78.245 444 1HG GLU 62 1HG GLU 62 60.272 120.816 77.958 445 2HG GLU 62 2HG GLU 62 60.719 120.113 76.404 446 H GLN 63 H GLN 63 60.568 117.401 80.662 447 HA GLN 63 HA GLN 63 59.326 114.711 80.193 448 1HB GLN 63 1HB GLN 63 60.376 114.211 82.401 449 2HB GLN 63 2HB GLN 63 61.539 114.708 81.176 450 1HG GLN 63 1HG GLN 63 61.764 116.881 82.128 451 2HG GLN 63 2HG GLN 63 60.340 116.667 83.142 452 1HE2 GLN 63 1HE2 GLN 63 63.067 117.289 84.101 453 2HE2 GLN 63 2HE2 GLN 63 63.529 115.999 85.102 454 H VAL 64 H VAL 64 57.378 114.226 81.109 455 HA VAL 64 HA VAL 64 56.229 116.133 83.124 456 HB VAL 64 HB VAL 64 54.874 114.764 80.769 457 1HG1 VAL 64 1HG1 VAL 64 53.010 116.418 81.454 458 2HG1 VAL 64 2HG1 VAL 64 53.858 116.532 82.997 459 3HG1 VAL 64 3HG1 VAL 64 53.222 114.979 82.452 460 1HG2 VAL 64 1HG2 VAL 64 54.622 117.117 79.944 461 2HG2 VAL 64 2HG2 VAL 64 56.306 116.600 80.039 462 3HG2 VAL 64 3HG2 VAL 64 55.636 117.657 81.282 463 H ASP 65 H ASP 65 55.478 115.150 84.925 464 HA ASP 65 HA ASP 65 55.049 112.174 84.881 465 1HB ASP 65 1HB ASP 65 55.995 112.226 87.176 466 2HB ASP 65 2HB ASP 65 57.138 112.854 85.990 467 H GLY 66 H GLY 66 53.013 111.584 85.508 468 1HA GLY 66 1HA GLY 66 51.569 113.198 87.517 469 2HA GLY 66 2HA GLY 66 50.795 113.039 85.940 470 H GLU 67 H GLU 67 49.937 111.968 88.585 471 HA GLU 67 HA GLU 67 50.341 109.088 88.580 472 1HB GLU 67 1HB GLU 67 49.820 110.479 90.575 473 2HB GLU 67 2HB GLU 67 48.234 110.839 89.891 474 1HG GLU 67 1HG GLU 67 47.680 108.433 89.899 475 2HG GLU 67 2HG GLU 67 49.263 108.070 90.585 476 H GLY 68 H GLY 68 48.675 107.486 88.084 477 1HA GLY 68 1HA GLY 68 47.118 106.533 86.624 478 2HA GLY 68 2HA GLY 68 46.121 107.914 87.068 479 H VAL 69 H VAL 69 45.434 107.401 84.739 480 HA VAL 69 HA VAL 69 47.031 109.097 82.835 481 HB VAL 69 HB VAL 69 46.215 107.463 81.080 482 1HG1 VAL 69 1HG1 VAL 69 48.426 107.048 81.499 483 2HG1 VAL 69 2HG1 VAL 69 47.769 105.544 82.145 484 3HG1 VAL 69 3HG1 VAL 69 48.175 106.870 83.235 485 1HG2 VAL 69 1HG2 VAL 69 45.420 105.272 81.798 486 2HG2 VAL 69 2HG2 VAL 69 44.362 106.506 82.477 487 3HG2 VAL 69 3HG2 VAL 69 45.578 105.732 83.492 488 H VAL 70 H VAL 70 45.902 110.706 82.047 489 HA VAL 70 HA VAL 70 44.139 112.218 81.821 490 HB VAL 70 HB VAL 70 42.547 111.436 80.144 491 1HG1 VAL 70 1HG1 VAL 70 44.304 111.565 78.757 492 2HG1 VAL 70 2HG1 VAL 70 44.496 109.819 78.931 493 3HG1 VAL 70 3HG1 VAL 70 45.397 110.917 79.978 494 1HG2 VAL 70 1HG2 VAL 70 43.487 108.616 80.740 495 2HG2 VAL 70 2HG2 VAL 70 42.225 109.104 79.611 496 3HG2 VAL 70 3HG2 VAL 70 41.978 109.302 81.343 497 H GLY 71 H GLY 71 44.082 110.994 84.389 498 1HA GLY 71 1HA GLY 71 42.638 111.293 86.230 499 2HA GLY 71 2HA GLY 71 41.322 111.613 85.113 500 H GLU 72 H GLU 72 43.006 108.647 84.509 501 HA GLU 72 HA GLU 72 41.100 107.127 86.232 502 1HB GLU 72 1HB GLU 72 40.343 105.812 84.269 503 2HB GLU 72 2HB GLU 72 39.942 107.522 84.118 504 1HG GLU 72 1HG GLU 72 41.774 107.898 82.623 505 2HG GLU 72 2HG GLU 72 42.429 106.291 82.917 506 H GLN 73 H GLN 73 41.689 104.987 86.650 507 HA GLN 73 HA GLN 73 44.502 104.202 85.919 508 1HB GLN 73 1HB GLN 73 42.734 103.765 88.344 509 2HB GLN 73 2HB GLN 73 44.272 102.933 88.112 510 1HG GLN 73 1HG GLN 73 45.485 105.014 88.102 511 2HG GLN 73 2HG GLN 73 43.988 105.948 88.061 512 1HE2 GLN 73 1HE2 GLN 73 45.856 103.696 90.140 513 2HE2 GLN 73 2HE2 GLN 73 45.193 104.250 91.600 514 HA PRO 74 HA PRO 74 41.338 101.326 83.986 515 1HB PRO 74 1HB PRO 74 42.867 100.708 81.808 516 2HB PRO 74 2HB PRO 74 41.764 102.098 81.861 517 1HG PRO 74 1HG PRO 74 44.714 102.010 82.246 518 2HG PRO 74 2HG PRO 74 43.723 103.192 81.375 519 1HD PRO 74 1HD PRO 74 44.702 103.649 83.854 520 2HD PRO 74 2HD PRO 74 43.166 104.335 83.281 521 H TRP 75 H TRP 75 41.367 99.138 84.279 522 HA TRP 75 HA TRP 75 43.881 97.855 85.269 523 1HB TRP 75 1HB TRP 75 41.558 97.988 86.484 524 2HB TRP 75 2HB TRP 75 41.083 96.727 85.348 525 HD1 TRP 75 HD1 TRP 75 43.839 97.420 87.964 526 HE1 TRP 75 HE1 TRP 75 44.562 95.169 88.989 527 HE3 TRP 75 HE3 TRP 75 41.015 94.226 85.154 528 HZ2 TRP 75 HZ2 TRP 75 44.013 92.381 88.662 529 HZ3 TRP 75 HZ3 TRP 75 41.133 91.779 85.534 530 HH2 TRP 75 HH2 TRP 75 42.628 90.854 87.282 531 H LEU 76 H LEU 76 44.575 97.768 82.909 532 HA LEU 76 HA LEU 76 43.153 96.388 80.882 533 1HB LEU 76 1HB LEU 76 45.442 97.785 81.044 534 2HB LEU 76 2HB LEU 76 46.120 96.156 81.018 535 HG LEU 76 HG LEU 76 44.742 95.671 78.983 536 1HD1 LEU 76 1HD1 LEU 76 44.106 98.053 77.882 537 2HD1 LEU 76 2HD1 LEU 76 43.842 98.441 79.581 538 3HD1 LEU 76 3HD1 LEU 76 42.962 97.108 78.834 539 1HD2 LEU 76 1HD2 LEU 76 47.129 96.480 78.882 540 2HD2 LEU 76 2HD2 LEU 76 46.506 98.115 78.661 541 3HD2 LEU 76 3HD2 LEU 76 46.177 96.874 77.451 542 H ARG 77 H ARG 77 42.464 94.327 80.913 543 HA ARG 77 HA ARG 77 43.773 92.269 82.578 544 1HB ARG 77 1HB ARG 77 41.225 92.754 81.181 545 2HB ARG 77 2HB ARG 77 41.783 91.088 81.040 546 1HG ARG 77 1HG ARG 77 42.153 91.140 83.567 547 2HG ARG 77 2HG ARG 77 41.245 92.652 83.571 548 1HD ARG 77 1HD ARG 77 39.661 90.875 84.021 549 2HD ARG 77 2HD ARG 77 39.384 91.392 82.346 550 HE ARG 77 HE ARG 77 41.294 89.438 82.053 551 1HH1 ARG 77 2HH1 ARG 77 39.951 88.559 84.736 552 2HH1 ARG 77 1HH1 ARG 77 38.867 87.348 84.138 553 1HH2 ARG 77 1HH2 ARG 77 39.175 88.331 80.827 554 2HH2 ARG 77 2HH2 ARG 77 38.428 87.219 81.925 555 HA PRO 78 HA PRO 78 46.352 90.578 79.450 556 1HB PRO 78 1HB PRO 78 45.767 87.900 79.423 557 2HB PRO 78 2HB PRO 78 46.761 88.660 80.683 558 1HG PRO 78 1HG PRO 78 43.883 87.902 80.747 559 2HG PRO 78 2HG PRO 78 45.120 87.746 82.005 560 1HD PRO 78 1HD PRO 78 43.270 89.724 82.005 561 2HD PRO 78 2HD PRO 78 44.900 89.926 82.684 562 H GLY 79 H GLY 79 46.063 90.782 77.321 563 1HA GLY 79 1HA GLY 79 45.167 90.280 75.159 564 2HA GLY 79 2HA GLY 79 43.827 89.442 75.939 565 H GLU 80 H GLU 80 43.605 92.048 77.708 566 HA GLU 80 HA GLU 80 41.670 93.368 75.907 567 1HB GLU 80 1HB GLU 80 41.145 92.769 78.266 568 2HB GLU 80 2HB GLU 80 42.437 93.839 78.809 569 1HG GLU 80 1HG GLU 80 41.304 95.771 77.856 570 2HG GLU 80 2HG GLU 80 40.063 94.737 77.152 571 H ALA 81 H ALA 81 41.683 95.807 75.823 572 HA ALA 81 HA ALA 81 44.351 97.054 76.168 573 1HB ALA 81 1HB ALA 81 42.821 96.743 73.570 574 2HB ALA 81 2HB ALA 81 44.422 96.106 73.943 575 3HB ALA 81 3HB ALA 81 44.184 97.844 73.762 576 H PHE 82 H PHE 82 44.234 99.392 76.187 577 HA PHE 82 HA PHE 82 41.456 100.503 76.434 578 1HB PHE 82 1HB PHE 82 42.658 100.308 78.576 579 2HB PHE 82 2HB PHE 82 44.032 101.181 77.901 580 HD1 PHE 82 HD1 PHE 82 43.923 103.586 77.484 581 HD2 PHE 82 HD2 PHE 82 40.561 101.460 79.103 582 HE1 PHE 82 HE1 PHE 82 42.860 105.739 78.103 583 HE2 PHE 82 HE2 PHE 82 39.498 103.613 79.722 584 HZ PHE 82 HZ PHE 82 40.647 105.752 79.221 585 H HIS 83 H HIS 83 41.156 102.608 75.429 586 HA HIS 83 HA HIS 83 43.516 103.695 73.944 587 1HB HIS 83 1HB HIS 83 40.743 103.149 72.826 588 2HB HIS 83 2HB HIS 83 42.087 103.857 71.932 589 HD1 HIS 83 HD1 HIS 83 41.186 100.633 73.747 590 HD2 HIS 83 HD2 HIS 83 43.782 101.977 70.778 591 HE1 HIS 83 HE1 HIS 83 42.321 98.576 72.804 592 H TYR 84 H TYR 84 43.567 105.944 73.900 593 HA TYR 84 HA TYR 84 41.109 107.496 74.424 594 1HB TYR 84 1HB TYR 84 42.032 108.584 76.402 595 2HB TYR 84 2HB TYR 84 42.055 106.841 76.648 596 HD1 TYR 84 HD1 TYR 84 44.087 109.853 76.110 597 HD2 TYR 84 HD2 TYR 84 44.172 105.591 76.606 598 HE1 TYR 84 HE1 TYR 84 46.526 109.952 76.544 599 HE2 TYR 84 HE2 TYR 84 46.612 105.687 77.036 600 HH TYR 84 HH TYR 84 48.255 108.651 77.610 601 H THR 85 H THR 85 41.467 109.833 74.004 602 HA THR 85 HA THR 85 43.679 110.243 72.036 603 HB THR 85 HB THR 85 41.108 111.775 72.544 604 HG1 THR 85 HG1 THR 85 40.199 110.343 71.325 605 1HG2 THR 85 1HG2 THR 85 43.212 111.892 70.377 606 2HG2 THR 85 2HG2 THR 85 42.658 113.202 71.421 607 3HG2 THR 85 3HG2 THR 85 41.594 112.562 70.168 608 H SER 86 H SER 86 45.215 111.823 72.379 609 HA SER 86 HA SER 86 44.903 113.562 74.805 610 1HB SER 86 1HB SER 86 46.498 111.865 75.262 611 2HB SER 86 2HB SER 86 47.234 112.025 73.668 612 HG SER 86 HG SER 86 47.225 113.951 75.761 613 H GLY 87 H GLY 87 46.325 115.629 74.590 614 1HA GLY 87 1HA GLY 87 46.823 116.377 71.747 615 2HA GLY 87 2HA GLY 87 45.856 117.442 72.766 616 H VAL 88 H VAL 88 48.807 117.250 71.516 617 HA VAL 88 HA VAL 88 50.105 118.621 73.855 618 HB VAL 88 HB VAL 88 51.224 116.536 71.944 619 1HG1 VAL 88 1HG1 VAL 88 53.315 116.826 73.409 620 2HG1 VAL 88 2HG1 VAL 88 52.604 118.353 73.933 621 3HG1 VAL 88 3HG1 VAL 88 53.001 118.102 72.233 622 1HG2 VAL 88 1HG2 VAL 88 51.301 115.102 73.777 623 2HG2 VAL 88 2HG2 VAL 88 49.835 116.013 74.135 624 3HG2 VAL 88 3HG2 VAL 88 51.347 116.426 74.940 625 H LEU 89 H LEU 89 51.453 120.384 73.265 626 HA LEU 89 HA LEU 89 51.122 121.304 70.440 627 1HB LEU 89 1HB LEU 89 50.109 122.635 72.293 628 2HB LEU 89 2HB LEU 89 51.718 122.846 72.987 629 HG LEU 89 HG LEU 89 52.366 123.785 70.655 630 1HD1 LEU 89 1HD1 LEU 89 50.260 123.026 69.556 631 2HD1 LEU 89 2HD1 LEU 89 50.512 124.765 69.396 632 3HD1 LEU 89 3HD1 LEU 89 49.355 124.146 70.574 633 1HD2 LEU 89 1HD2 LEU 89 50.487 125.255 72.531 634 2HD2 LEU 89 2HD2 LEU 89 51.478 126.039 71.302 635 3HD2 LEU 89 3HD2 LEU 89 52.245 125.189 72.644 636 H LEU 90 H LEU 90 52.973 121.940 69.282 637 HA LEU 90 HA LEU 90 55.613 121.498 70.642 638 1HB LEU 90 1HB LEU 90 54.604 120.838 67.864 639 2HB LEU 90 2HB LEU 90 56.311 120.752 68.306 640 HG LEU 90 HG LEU 90 54.131 119.299 69.823 641 1HD1 LEU 90 1HD1 LEU 90 54.338 117.479 68.451 642 2HD1 LEU 90 2HD1 LEU 90 56.031 117.812 68.088 643 3HD1 LEU 90 3HD1 LEU 90 54.758 118.708 67.259 644 1HD2 LEU 90 1HD2 LEU 90 57.155 119.265 69.826 645 2HD2 LEU 90 2HD2 LEU 90 56.207 117.941 70.505 646 3HD2 LEU 90 3HD2 LEU 90 56.069 119.565 71.182 647 H GLU 91 H GLU 91 57.307 122.989 70.067 648 HA GLU 91 HA GLU 91 56.431 125.635 69.224 649 1HB GLU 91 1HB GLU 91 58.156 125.166 70.950 650 2HB GLU 91 2HB GLU 91 59.187 124.455 69.709 651 1HG GLU 91 1HG GLU 91 59.225 126.608 68.501 652 2HG GLU 91 2HG GLU 91 58.197 127.323 69.741 653 H THR 92 H THR 92 57.958 122.882 67.644 654 HA THR 92 HA THR 92 58.196 124.527 65.147 655 HB THR 92 HB THR 92 59.844 122.092 65.870 656 HG1 THR 92 HG1 THR 92 60.829 123.302 67.247 657 1HG2 THR 92 1HG2 THR 92 61.448 123.360 64.297 658 2HG2 THR 92 2HG2 THR 92 60.039 124.323 63.851 659 3HG2 THR 92 3HG2 THR 92 60.044 122.582 63.566 660 H GLU 93 H GLU 93 58.141 123.054 63.139 661 HA GLU 93 HA GLU 93 55.709 121.408 63.271 662 1HB GLU 93 1HB GLU 93 56.415 123.152 61.521 663 2HB GLU 93 2HB GLU 93 57.514 121.918 60.905 664 1HG GLU 93 1HG GLU 93 55.614 120.371 60.603 665 2HG GLU 93 2HG GLU 93 54.512 121.602 61.217 666 H GLN 94 H GLN 94 58.802 120.578 64.059 667 HA GLN 94 HA GLN 94 58.408 117.816 63.023 668 1HB GLN 94 1HB GLN 94 60.829 117.784 62.408 669 2HB GLN 94 2HB GLN 94 59.921 118.994 61.502 670 1HG GLN 94 1HG GLN 94 60.648 120.705 63.208 671 2HG GLN 94 2HG GLN 94 61.697 119.475 63.912 672 1HE2 GLN 94 1HE2 GLN 94 63.749 120.301 63.287 673 2HE2 GLN 94 2HE2 GLN 94 64.210 120.532 61.669 674 H GLY 95 H GLY 95 59.357 116.177 64.477 675 1HA GLY 95 1HA GLY 95 61.141 116.725 66.593 676 2HA GLY 95 2HA GLY 95 59.524 116.982 67.236 677 H GLN 96 H GLN 96 61.169 115.082 68.286 678 HA GLN 96 HA GLN 96 59.931 112.465 67.439 679 1HB GLN 96 1HB GLN 96 62.047 111.461 68.242 680 2HB GLN 96 2HB GLN 96 62.337 112.624 66.951 681 1HG GLN 96 1HG GLN 96 62.935 114.340 68.627 682 2HG GLN 96 2HG GLN 96 62.647 113.175 69.920 683 1HE2 GLN 96 1HE2 GLN 96 65.221 114.555 68.881 684 2HE2 GLN 96 2HE2 GLN 96 66.301 113.264 68.658 685 H MET 97 H MET 97 58.731 111.491 69.041 686 HA MET 97 HA MET 97 59.121 112.454 71.860 687 1HB MET 97 1HB MET 97 57.130 113.378 70.741 688 2HB MET 97 2HB MET 97 56.583 111.748 70.353 689 1HG MET 97 1HG MET 97 56.216 111.215 72.648 690 2HG MET 97 2HG MET 97 57.106 112.635 73.194 691 1HE MET 97 1HE MET 97 55.141 112.628 74.731 692 2HE MET 97 2HE MET 97 53.822 111.746 73.968 693 3HE MET 97 3HE MET 97 53.599 113.436 74.410 694 H GLN 98 H GLN 98 59.755 110.773 73.185 695 HA GLN 98 HA GLN 98 58.668 108.019 72.669 696 1HB GLN 98 1HB GLN 98 61.083 108.406 71.998 697 2HB GLN 98 2HB GLN 98 61.420 108.816 73.680 698 1HG GLN 98 1HG GLN 98 60.622 106.591 74.388 699 2HG GLN 98 2HG GLN 98 60.281 106.178 72.707 700 1HE2 GLN 98 1HE2 GLN 98 62.214 104.777 74.422 701 2HE2 GLN 98 2HE2 GLN 98 63.740 104.978 73.708 702 H GLY 99 H GLY 99 58.104 106.910 74.669 703 1HA GLY 99 1HA GLY 99 58.777 108.172 77.234 704 2HA GLY 99 2HA GLY 99 57.079 108.340 76.796 705 H HIS 100 H HIS 100 57.280 107.021 79.020 706 HA HIS 100 HA HIS 100 56.824 104.186 78.251 707 1HB HIS 100 1HB HIS 100 58.157 103.483 80.243 708 2HB HIS 100 2HB HIS 100 59.125 104.328 79.039 709 HD1 HIS 100 HD1 HIS 100 59.794 106.822 79.587 710 HD2 HIS 100 HD2 HIS 100 57.965 104.785 82.730 711 HE1 HIS 100 HE1 HIS 100 60.246 108.177 81.676 712 H TYR 101 H TYR 101 55.503 103.016 79.807 713 HA TYR 101 HA TYR 101 53.784 104.818 81.475 714 1HB TYR 101 1HB TYR 101 53.293 102.398 79.751 715 2HB TYR 101 2HB TYR 101 52.157 102.796 81.034 716 HD1 TYR 101 HD1 TYR 101 52.178 105.784 80.951 717 HD2 TYR 101 HD2 TYR 101 52.167 102.894 77.768 718 HE1 TYR 101 HE1 TYR 101 51.095 107.433 79.453 719 HE2 TYR 101 HE2 TYR 101 51.083 104.547 76.276 720 HH TYR 101 HH TYR 101 49.507 107.124 77.232 721 H ASP 102 H ASP 102 53.756 104.315 83.711 722 HA ASP 102 HA ASP 102 55.200 101.902 84.641 723 1HB ASP 102 1HB ASP 102 55.389 104.224 85.666 724 2HB ASP 102 2HB ASP 102 53.707 104.064 86.174 725 H MET 103 H MET 103 54.199 100.044 84.938 726 HA MET 103 HA MET 103 51.227 100.005 85.437 727 1HB MET 103 1HB MET 103 53.013 98.136 83.853 728 2HB MET 103 2HB MET 103 51.282 97.911 84.108 729 1HG MET 103 1HG MET 103 51.180 100.397 83.159 730 2HG MET 103 2HG MET 103 52.703 99.918 82.410 731 1HE MET 103 1HE MET 103 49.152 97.930 83.083 732 2HE MET 103 2HE MET 103 48.468 98.599 81.604 733 3HE MET 103 3HE MET 103 49.120 99.680 82.833 734 H VAL 104 H VAL 104 50.511 98.075 86.651 735 HA VAL 104 HA VAL 104 52.638 96.743 88.275 736 HB VAL 104 HB VAL 104 51.118 97.158 90.280 737 1HG1 VAL 104 1HG1 VAL 104 52.060 99.325 90.706 738 2HG1 VAL 104 2HG1 VAL 104 52.205 99.665 88.982 739 3HG1 VAL 104 3HG1 VAL 104 53.225 98.434 89.727 740 1HG2 VAL 104 1HG2 VAL 104 49.909 99.237 88.426 741 2HG2 VAL 104 2HG2 VAL 104 49.519 99.000 90.129 742 3HG2 VAL 104 3HG2 VAL 104 49.093 97.764 88.948 743 H ALA 105 H ALA 105 52.233 94.565 88.411 744 HA ALA 105 HA ALA 105 49.855 93.364 87.209 745 1HB ALA 105 1HB ALA 105 52.060 92.217 88.957 746 2HB ALA 105 2HB ALA 105 52.145 92.380 87.204 747 3HB ALA 105 3HB ALA 105 50.967 91.288 87.931 748 H ASP 106 H ASP 106 48.479 91.800 88.474 749 HA ASP 106 HA ASP 106 47.205 93.094 90.695 750 1HB ASP 106 1HB ASP 106 46.258 91.405 89.059 751 2HB ASP 106 2HB ASP 106 47.143 90.157 89.937 752 H ASP 107 H ASP 107 49.786 90.689 90.509 753 HA ASP 107 HA ASP 107 49.715 89.928 93.306 754 1HB ASP 107 1HB ASP 107 51.749 89.714 91.075 755 2HB ASP 107 2HB ASP 107 51.996 88.995 92.666 756 H GLY 108 H GLY 108 50.814 92.784 91.749 757 1HA GLY 108 1HA GLY 108 51.547 94.669 93.120 758 2HA GLY 108 2HA GLY 108 52.317 93.520 94.212 759 H THR 109 H THR 109 53.120 92.248 91.326 760 HA THR 109 HA THR 109 55.853 92.982 91.398 761 HB THR 109 HB THR 109 54.156 92.114 89.034 762 HG1 THR 109 HG1 THR 109 55.480 90.675 91.085 763 1HG2 THR 109 1HG2 THR 109 57.121 91.921 89.619 764 2HG2 THR 109 2HG2 THR 109 56.353 92.815 88.307 765 3HG2 THR 109 3HG2 THR 109 56.318 91.052 88.312 766 H GLU 110 H GLU 110 56.973 94.754 90.538 767 HA GLU 110 HA GLU 110 55.327 96.852 89.209 768 1HB GLU 110 1HB GLU 110 57.177 98.343 89.921 769 2HB GLU 110 2HB GLU 110 56.532 97.425 91.279 770 1HG GLU 110 1HG GLU 110 58.390 95.902 91.241 771 2HG GLU 110 2HG GLU 110 58.957 96.536 89.697 772 H PHE 111 H PHE 111 55.830 97.621 87.176 773 HA PHE 111 HA PHE 111 58.338 97.074 85.804 774 1HB PHE 111 1HB PHE 111 57.486 95.439 84.225 775 2HB PHE 111 2HB PHE 111 57.154 94.840 85.847 776 HD1 PHE 111 HD1 PHE 111 55.695 96.211 82.764 777 HD2 PHE 111 HD2 PHE 111 54.863 94.826 86.745 778 HE1 PHE 111 HE1 PHE 111 53.282 96.077 82.213 779 HE2 PHE 111 HE2 PHE 111 52.450 94.694 86.191 780 HZ PHE 111 HZ PHE 111 51.659 95.320 83.927 781 H ILE 112 H ILE 112 58.511 98.290 83.913 782 HA ILE 112 HA ILE 112 56.313 100.257 83.472 783 HB ILE 112 HB ILE 112 58.137 101.580 82.424 784 1HG1 ILE 112 1HG1 ILE 112 60.043 99.416 83.331 785 2HG1 ILE 112 2HG1 ILE 112 59.379 99.422 81.697 786 1HG2 ILE 112 1HG2 ILE 112 58.580 100.413 85.175 787 2HG2 ILE 112 2HG2 ILE 112 57.859 101.967 84.751 788 3HG2 ILE 112 3HG2 ILE 112 59.591 101.710 84.538 789 1HD1 ILE 112 1HD1 ILE 112 61.638 100.622 82.063 790 2HD1 ILE 112 2HD1 ILE 112 60.690 101.877 82.863 791 3HD1 ILE 112 3HD1 ILE 112 60.393 101.492 81.167 792 H ALA 113 H ALA 113 55.754 100.835 81.260 793 HA ALA 113 HA ALA 113 56.257 98.655 79.261 794 1HB ALA 113 1HB ALA 113 53.824 100.444 79.617 795 2HB ALA 113 2HB ALA 113 53.940 98.795 80.232 796 3HB ALA 113 3HB ALA 113 53.969 99.092 78.495 797 HA PRO 114 HA PRO 114 58.202 102.435 77.586 798 1HB PRO 114 1HB PRO 114 59.493 101.176 75.544 799 2HB PRO 114 2HB PRO 114 60.138 101.245 77.198 800 1HG PRO 114 1HG PRO 114 58.687 99.038 75.824 801 2HG PRO 114 2HG PRO 114 60.091 98.967 76.902 802 1HD PRO 114 1HD PRO 114 57.588 98.382 77.731 803 2HD PRO 114 2HD PRO 114 58.811 99.100 78.801 804 H ILE 115 H ILE 115 57.555 103.711 75.997 805 HA ILE 115 HA ILE 115 55.468 102.725 74.070 806 HB ILE 115 HB ILE 115 56.143 105.535 75.012 807 1HG1 ILE 115 1HG1 ILE 115 53.816 103.786 75.865 808 2HG1 ILE 115 2HG1 ILE 115 55.291 103.961 76.818 809 1HG2 ILE 115 1HG2 ILE 115 54.986 105.816 73.016 810 2HG2 ILE 115 2HG2 ILE 115 53.655 105.757 74.172 811 3HG2 ILE 115 3HG2 ILE 115 54.064 104.327 73.223 812 1HD1 ILE 115 1HD1 ILE 115 53.785 105.576 77.708 813 2HD1 ILE 115 2HD1 ILE 115 53.274 106.095 76.101 814 3HD1 ILE 115 3HD1 ILE 115 54.891 106.492 76.684 815 H ALA 116 H ALA 116 56.161 102.518 72.007 816 HA ALA 116 HA ALA 116 58.724 102.981 71.001 817 1HB ALA 116 1HB ALA 116 56.870 101.671 69.970 818 2HB ALA 116 2HB ALA 116 57.646 102.754 68.817 819 3HB ALA 116 3HB ALA 116 56.085 103.184 69.517 820 H ALA 117 H ALA 117 59.761 104.708 69.963 821 HA ALA 117 HA ALA 117 58.660 107.399 70.455 822 1HB ALA 117 1HB ALA 117 61.048 106.542 70.873 823 2HB ALA 117 2HB ALA 117 60.908 108.079 70.020 824 3HB ALA 117 3HB ALA 117 61.256 106.601 69.122 825 H PHE 118 H PHE 118 57.465 108.396 68.902 826 HA PHE 118 HA PHE 118 57.802 107.564 66.043 827 1HB PHE 118 1HB PHE 118 55.505 108.575 65.819 828 2HB PHE 118 2HB PHE 118 55.561 107.224 66.946 829 HD1 PHE 118 HD1 PHE 118 55.119 107.526 69.285 830 HD2 PHE 118 HD2 PHE 118 55.443 110.923 66.680 831 HE1 PHE 118 HE1 PHE 118 54.222 108.985 71.079 832 HE2 PHE 118 HE2 PHE 118 54.546 112.384 68.475 833 HZ PHE 118 HZ PHE 118 53.936 111.414 70.673 834 H VAL 119 H VAL 119 57.550 109.432 64.450 835 HA VAL 119 HA VAL 119 58.830 111.899 65.574 836 HB VAL 119 HB VAL 119 59.048 110.593 62.839 837 1HG1 VAL 119 1HG1 VAL 119 59.456 112.853 62.412 838 2HG1 VAL 119 2HG1 VAL 119 61.073 112.273 62.810 839 3HG1 VAL 119 3HG1 VAL 119 60.124 113.139 64.019 840 1HG2 VAL 119 1HG2 VAL 119 61.013 110.778 65.147 841 2HG2 VAL 119 2HG2 VAL 119 61.370 110.097 63.559 842 3HG2 VAL 119 3HG2 VAL 119 60.188 109.315 64.609 843 H LEU 120 H LEU 120 58.174 113.915 64.591 844 HA LEU 120 HA LEU 120 55.458 113.815 63.312 845 1HB LEU 120 1HB LEU 120 56.819 115.803 65.155 846 2HB LEU 120 2HB LEU 120 55.310 116.157 64.319 847 HG LEU 120 HG LEU 120 54.381 114.022 65.372 848 1HD1 LEU 120 1HD1 LEU 120 57.089 114.144 66.588 849 2HD1 LEU 120 2HD1 LEU 120 56.068 112.748 66.252 850 3HD1 LEU 120 3HD1 LEU 120 55.764 113.739 67.677 851 1HD2 LEU 120 1HD2 LEU 120 55.103 115.825 67.619 852 2HD2 LEU 120 2HD2 LEU 120 53.515 115.294 67.066 853 3HD2 LEU 120 3HD2 LEU 120 54.352 116.597 66.223 854 H SER 121 H SER 121 55.288 114.710 61.302 855 HA SER 121 HA SER 121 57.247 116.739 60.380 856 1HB SER 121 1HB SER 121 57.965 114.225 60.025 857 2HB SER 121 2HB SER 121 56.797 114.282 58.707 858 HG SER 121 HG SER 121 59.010 114.891 58.163 Start of MODEL 16 1 H ARG 6 1H ARG 6 55.545 87.078 81.293 2 HA ARG 6 HA ARG 6 52.648 86.885 81.944 3 1HB ARG 6 1HB ARG 6 55.225 86.900 83.542 4 2HB ARG 6 2HB ARG 6 53.629 86.841 84.292 5 1HG ARG 6 1HG ARG 6 53.114 84.775 83.043 6 2HG ARG 6 2HG ARG 6 54.711 84.829 82.296 7 1HD ARG 6 1HD ARG 6 55.749 84.695 84.567 8 2HD ARG 6 2HD ARG 6 54.124 84.519 85.262 9 HE ARG 6 HE ARG 6 55.485 82.528 83.536 10 1HH1 ARG 6 2HH1 ARG 6 54.435 81.661 86.127 11 2HH1 ARG 6 1HH1 ARG 6 52.891 80.984 85.730 12 1HH2 ARG 6 1HH2 ARG 6 52.734 82.500 82.614 13 2HH2 ARG 6 2HH2 ARG 6 51.928 81.458 83.740 14 H TYR 7 H TYR 7 55.426 89.092 82.396 15 HA TYR 7 HA TYR 7 53.507 91.283 83.105 16 1HB TYR 7 1HB TYR 7 56.471 90.915 83.669 17 2HB TYR 7 2HB TYR 7 55.493 92.273 84.225 18 HD1 TYR 7 HD1 TYR 7 53.105 91.347 85.295 19 HD2 TYR 7 HD2 TYR 7 56.894 89.322 85.307 20 HE1 TYR 7 HE1 TYR 7 52.393 90.025 87.269 21 HE2 TYR 7 HE2 TYR 7 56.182 88.002 87.281 22 HH TYR 7 HH TYR 7 54.466 88.364 89.212 23 H ARG 8 H ARG 8 53.161 91.544 80.728 24 HA ARG 8 HA ARG 8 55.271 93.276 79.464 25 1HB ARG 8 1HB ARG 8 53.873 90.808 78.417 26 2HB ARG 8 2HB ARG 8 54.567 92.012 77.330 27 1HG ARG 8 1HG ARG 8 56.764 91.733 78.421 28 2HG ARG 8 2HG ARG 8 56.073 90.523 79.501 29 1HD ARG 8 1HD ARG 8 55.868 90.201 76.504 30 2HD ARG 8 2HD ARG 8 57.304 89.651 77.391 31 HE ARG 8 HE ARG 8 54.759 88.804 78.580 32 1HH1 ARG 8 2HH1 ARG 8 55.428 87.869 75.624 33 2HH1 ARG 8 1HH1 ARG 8 56.008 86.274 75.971 34 1HH2 ARG 8 1HH2 ARG 8 56.328 86.846 79.376 35 2HH2 ARG 8 2HH2 ARG 8 56.517 85.695 78.095 36 H VAL 9 H VAL 9 54.491 94.957 78.336 37 HA VAL 9 HA VAL 9 51.603 95.214 77.682 38 HB VAL 9 HB VAL 9 53.155 97.032 79.562 39 1HG1 VAL 9 1HG1 VAL 9 51.603 98.273 78.082 40 2HG1 VAL 9 2HG1 VAL 9 51.038 98.281 79.753 41 3HG1 VAL 9 3HG1 VAL 9 50.289 97.204 78.575 42 1HG2 VAL 9 1HG2 VAL 9 51.269 96.336 81.139 43 2HG2 VAL 9 2HG2 VAL 9 52.454 95.083 80.767 44 3HG2 VAL 9 3HG2 VAL 9 50.882 95.074 79.970 45 H GLU 10 H GLU 10 51.698 95.825 75.593 46 HA GLU 10 HA GLU 10 53.879 97.661 74.620 47 1HB GLU 10 1HB GLU 10 51.987 95.679 73.316 48 2HB GLU 10 2HB GLU 10 53.097 96.722 72.426 49 1HG GLU 10 1HG GLU 10 55.007 95.720 73.624 50 2HG GLU 10 2HG GLU 10 53.899 94.672 74.512 51 H VAL 11 H VAL 11 53.343 99.666 74.150 52 HA VAL 11 HA VAL 11 50.444 100.363 73.825 53 HB VAL 11 HB VAL 11 52.800 101.977 74.868 54 1HG1 VAL 11 1HG1 VAL 11 50.578 103.318 75.663 55 2HG1 VAL 11 2HG1 VAL 11 50.007 102.668 74.127 56 3HG1 VAL 11 3HG1 VAL 11 51.444 103.688 74.173 57 1HG2 VAL 11 1HG2 VAL 11 51.509 99.986 76.189 58 2HG2 VAL 11 2HG2 VAL 11 50.444 101.340 76.567 59 3HG2 VAL 11 3HG2 VAL 11 52.153 101.415 76.996 60 H GLU 12 H GLU 12 49.883 101.517 71.962 61 HA GLU 12 HA GLU 12 52.107 102.253 70.077 62 1HB GLU 12 1HB GLU 12 50.673 100.241 69.526 63 2HB GLU 12 2HB GLU 12 49.287 101.330 69.452 64 1HG GLU 12 1HG GLU 12 50.161 101.018 67.201 65 2HG GLU 12 2HG GLU 12 50.493 102.670 67.717 66 H VAL 13 H VAL 13 52.041 104.331 69.302 67 HA VAL 13 HA VAL 13 49.590 105.980 69.848 68 HB VAL 13 HB VAL 13 52.518 106.744 70.125 69 1HG1 VAL 13 1HG1 VAL 13 49.927 108.249 70.459 70 2HG1 VAL 13 2HG1 VAL 13 51.367 108.724 69.559 71 3HG1 VAL 13 3HG1 VAL 13 51.381 108.747 71.323 72 1HG2 VAL 13 1HG2 VAL 13 52.139 105.449 72.022 73 2HG2 VAL 13 2HG2 VAL 13 50.421 105.840 72.070 74 3HG2 VAL 13 3HG2 VAL 13 51.611 107.031 72.596 75 H SER 14 H SER 14 48.898 107.203 68.155 76 HA SER 14 HA SER 14 50.669 107.361 65.743 77 1HB SER 14 1HB SER 14 47.668 106.964 65.953 78 2HB SER 14 2HB SER 14 48.562 107.110 64.443 79 HG SER 14 HG SER 14 48.958 105.142 66.457 80 HA PRO 15 HA PRO 15 49.539 111.673 66.633 81 1HB PRO 15 1HB PRO 15 51.771 112.813 65.575 82 2HB PRO 15 2HB PRO 15 51.735 112.129 67.213 83 1HG PRO 15 1HG PRO 15 52.830 110.972 64.704 84 2HG PRO 15 2HG PRO 15 53.467 110.900 66.355 85 1HD PRO 15 1HD PRO 15 52.134 108.844 65.169 86 2HD PRO 15 2HD PRO 15 52.155 109.119 66.924 87 H ARG 16 H ARG 16 49.196 113.534 65.201 88 HA ARG 16 HA ARG 16 49.322 113.140 62.279 89 1HB ARG 16 1HB ARG 16 46.843 113.294 62.062 90 2HB ARG 16 2HB ARG 16 47.334 111.844 62.935 91 1HG ARG 16 1HG ARG 16 46.914 113.020 65.083 92 2HG ARG 16 2HG ARG 16 46.357 114.431 64.183 93 1HD ARG 16 1HD ARG 16 45.119 111.659 64.006 94 2HD ARG 16 2HD ARG 16 44.437 113.032 64.901 95 HE ARG 16 HE ARG 16 44.938 114.000 62.315 96 1HH1 ARG 16 1HH2 ARG 16 42.245 113.558 63.833 97 2HH1 ARG 16 2HH2 ARG 16 41.371 112.668 62.630 98 1HH2 ARG 16 2HH1 ARG 16 44.186 111.957 60.734 99 2HH2 ARG 16 1HH1 ARG 16 42.471 111.761 60.875 100 H PHE 17 H PHE 17 49.623 115.078 61.366 101 HA PHE 17 HA PHE 17 49.899 117.499 62.829 102 1HB PHE 17 1HB PHE 17 50.951 116.903 60.659 103 2HB PHE 17 2HB PHE 17 49.381 117.064 59.872 104 HD1 PHE 17 HD1 PHE 17 51.830 118.951 61.979 105 HD2 PHE 17 HD2 PHE 17 48.655 119.164 59.095 106 HE1 PHE 17 HE1 PHE 17 52.200 121.393 61.754 107 HE2 PHE 17 HE2 PHE 17 49.026 121.606 58.869 108 HZ PHE 17 HZ PHE 17 50.797 122.721 60.199 109 H LEU 18 H LEU 18 48.472 119.164 63.272 110 HA LEU 18 HA LEU 18 45.648 118.928 62.247 111 1HB LEU 18 1HB LEU 18 46.880 119.411 64.901 112 2HB LEU 18 2HB LEU 18 45.501 120.438 64.517 113 HG LEU 18 HG LEU 18 45.464 117.426 64.215 114 1HD1 LEU 18 1HD1 LEU 18 45.804 118.053 66.583 115 2HD1 LEU 18 2HD1 LEU 18 44.186 117.401 66.323 116 3HD1 LEU 18 3HD1 LEU 18 44.419 119.140 66.491 117 1HD2 LEU 18 1HD2 LEU 18 43.755 118.359 62.880 118 2HD2 LEU 18 2HD2 LEU 18 43.433 119.651 64.038 119 3HD2 LEU 18 3HD2 LEU 18 42.934 117.998 64.398 120 H ALA 19 H ALA 19 46.358 120.158 60.407 121 HA ALA 19 HA ALA 19 47.370 122.886 60.494 122 1HB ALA 19 1HB ALA 19 45.557 121.816 58.369 123 2HB ALA 19 2HB ALA 19 47.118 121.034 58.620 124 3HB ALA 19 3HB ALA 19 47.046 122.748 58.209 125 H HIS 20 H HIS 20 44.074 121.511 60.510 126 HA HIS 20 HA HIS 20 42.734 124.032 60.120 127 1HB HIS 20 1HB HIS 20 41.847 121.679 59.767 128 2HB HIS 20 2HB HIS 20 41.710 121.543 61.520 129 HD1 HIS 20 HD1 HIS 20 40.666 124.148 58.916 130 HD2 HIS 20 HD2 HIS 20 39.175 122.255 62.319 131 HE1 HIS 20 HE1 HIS 20 38.333 125.065 59.283 132 H GLN 21 H GLN 21 44.130 122.513 62.942 133 HA GLN 21 HA GLN 21 42.932 124.675 64.651 134 1HB GLN 21 1HB GLN 21 42.212 122.263 65.013 135 2HB GLN 21 2HB GLN 21 43.873 121.924 65.503 136 1HG GLN 21 1HG GLN 21 43.730 123.469 67.344 137 2HG GLN 21 2HG GLN 21 42.176 124.084 66.779 138 1HE2 GLN 21 1HE2 GLN 21 42.640 122.864 69.411 139 2HE2 GLN 21 2HE2 GLN 21 41.678 121.467 69.483 140 H SER 22 H SER 22 45.330 125.207 63.245 141 HA SER 22 HA SER 22 47.152 125.739 65.460 142 1HB SER 22 1HB SER 22 48.914 124.261 64.789 143 2HB SER 22 2HB SER 22 47.445 123.289 64.830 144 HG SER 22 HG SER 22 48.338 122.852 62.889 145 H THR 23 H THR 23 48.756 127.275 64.869 146 HA THR 23 HA THR 23 48.672 128.244 62.031 147 HB THR 23 HB THR 23 47.480 129.748 63.582 148 HG1 THR 23 HG1 THR 23 48.310 131.305 62.491 149 1HG2 THR 23 1HG2 THR 23 50.053 130.323 65.020 150 2HG2 THR 23 2HG2 THR 23 49.024 129.006 65.573 151 3HG2 THR 23 3HG2 THR 23 48.399 130.650 65.529 152 HA PRO 24 HA PRO 24 52.924 126.911 62.969 153 1HB PRO 24 1HB PRO 24 53.678 126.519 60.372 154 2HB PRO 24 2HB PRO 24 52.800 125.305 61.323 155 1HG PRO 24 1HG PRO 24 51.769 127.220 59.294 156 2HG PRO 24 2HG PRO 24 51.344 125.521 59.565 157 1HD PRO 24 1HD PRO 24 49.801 127.580 60.411 158 2HD PRO 24 2HD PRO 24 49.878 126.016 61.250 159 H ASP 25 H ASP 25 51.710 129.426 60.838 160 HA ASP 25 HA ASP 25 54.213 130.622 60.126 161 1HB ASP 25 1HB ASP 25 51.380 131.672 60.403 162 2HB ASP 25 2HB ASP 25 52.691 132.642 59.731 163 H GLU 26 H GLU 26 52.375 130.733 63.097 164 HA GLU 26 HA GLU 26 54.063 132.996 64.094 165 1HB GLU 26 1HB GLU 26 51.466 131.721 64.988 166 2HB GLU 26 2HB GLU 26 52.299 132.956 65.931 167 1HG GLU 26 1HG GLU 26 51.451 133.312 63.042 168 2HG GLU 26 2HG GLU 26 50.518 133.886 64.424 169 H GLY 27 H GLY 27 54.834 130.024 63.828 170 1HA GLY 27 1HA GLY 27 56.174 128.552 65.071 171 2HA GLY 27 2HA GLY 27 56.284 129.806 66.309 172 H ARG 28 H ARG 28 53.200 128.600 65.189 173 HA ARG 28 HA ARG 28 52.817 127.232 67.833 174 1HB ARG 28 1HB ARG 28 51.065 129.000 66.128 175 2HB ARG 28 2HB ARG 28 50.370 127.951 67.364 176 1HG ARG 28 1HG ARG 28 51.815 129.002 69.068 177 2HG ARG 28 2HG ARG 28 52.503 130.056 67.834 178 1HD ARG 28 1HD ARG 28 50.759 131.307 68.975 179 2HD ARG 28 2HD ARG 28 50.133 130.878 67.370 180 HE ARG 28 HE ARG 28 49.409 128.716 68.940 181 1HH1 ARG 28 1HH2 ARG 28 47.589 130.962 67.801 182 2HH1 ARG 28 2HH2 ARG 28 46.719 131.401 69.232 183 1HH2 ARG 28 2HH1 ARG 28 48.906 129.781 71.380 184 2HH2 ARG 28 1HH1 ARG 28 47.464 130.732 71.259 185 H TYR 29 H TYR 29 53.286 125.110 67.024 186 HA TYR 29 HA TYR 29 51.572 124.105 64.781 187 1HB TYR 29 1HB TYR 29 54.014 122.916 66.149 188 2HB TYR 29 2HB TYR 29 53.234 122.293 64.700 189 HD1 TYR 29 HD1 TYR 29 55.173 125.134 66.092 190 HD2 TYR 29 HD2 TYR 29 53.635 123.267 62.542 191 HE1 TYR 29 HE1 TYR 29 56.573 126.631 64.698 192 HE2 TYR 29 HE2 TYR 29 55.035 124.768 61.148 193 HH TYR 29 HH TYR 29 56.365 127.531 62.189 194 H ALA 30 H ALA 30 49.968 122.654 65.263 195 HA ALA 30 HA ALA 30 49.812 121.698 68.095 196 1HB ALA 30 1HB ALA 30 47.554 122.166 68.015 197 2HB ALA 30 2HB ALA 30 47.421 121.728 66.311 198 3HB ALA 30 3HB ALA 30 48.095 123.292 66.770 199 H PHE 31 H PHE 31 50.158 119.528 68.329 200 HA PHE 31 HA PHE 31 49.510 117.709 66.027 201 1HB PHE 31 1HB PHE 31 51.586 117.589 68.238 202 2HB PHE 31 2HB PHE 31 51.279 116.261 67.121 203 HD1 PHE 31 HD1 PHE 31 52.502 119.739 67.417 204 HD2 PHE 31 HD2 PHE 31 51.993 116.358 64.818 205 HE1 PHE 31 HE1 PHE 31 53.996 120.797 65.748 206 HE2 PHE 31 HE2 PHE 31 53.486 117.419 63.145 207 HZ PHE 31 HZ PHE 31 54.489 119.639 63.610 208 H ALA 32 H ALA 32 48.008 116.070 66.465 209 HA ALA 32 HA ALA 32 47.126 115.732 69.315 210 1HB ALA 32 1HB ALA 32 45.803 115.763 66.623 211 2HB ALA 32 2HB ALA 32 45.256 116.477 68.141 212 3HB ALA 32 3HB ALA 32 45.103 114.739 67.877 213 H TYR 33 H TYR 33 47.466 113.662 70.172 214 HA TYR 33 HA TYR 33 48.121 111.503 68.190 215 1HB TYR 33 1HB TYR 33 49.932 110.812 69.630 216 2HB TYR 33 2HB TYR 33 50.081 112.545 69.366 217 HD1 TYR 33 HD1 TYR 33 49.481 109.902 71.795 218 HD2 TYR 33 HD2 TYR 33 49.406 114.151 71.177 219 HE1 TYR 33 HE1 TYR 33 49.440 110.259 74.248 220 HE2 TYR 33 HE2 TYR 33 49.363 114.499 73.628 221 HH TYR 33 HH TYR 33 50.243 112.917 75.730 222 H SER 34 H SER 34 47.349 109.432 68.638 223 HA SER 34 HA SER 34 45.357 109.227 70.863 224 1HB SER 34 1HB SER 34 44.518 108.887 68.591 225 2HB SER 34 2HB SER 34 45.786 107.708 68.266 226 HG SER 34 HG SER 34 44.856 106.332 69.740 227 H ILE 35 H ILE 35 45.625 107.629 72.420 228 HA ILE 35 HA ILE 35 48.209 106.091 72.392 229 HB ILE 35 HB ILE 35 46.259 106.955 74.541 230 1HG1 ILE 35 1HG1 ILE 35 47.576 108.784 73.528 231 2HG1 ILE 35 2HG1 ILE 35 48.090 108.483 75.184 232 1HG2 ILE 35 1HG2 ILE 35 48.794 105.318 74.650 233 2HG2 ILE 35 2HG2 ILE 35 47.235 104.977 75.398 234 3HG2 ILE 35 3HG2 ILE 35 48.256 106.264 76.038 235 1HD1 ILE 35 1HD1 ILE 35 49.738 106.784 73.795 236 2HD1 ILE 35 2HD1 ILE 35 50.184 108.415 74.290 237 3HD1 ILE 35 3HD1 ILE 35 49.578 108.123 72.661 238 H ARG 36 H ARG 36 48.178 103.946 72.229 239 HA ARG 36 HA ARG 36 45.606 102.454 72.679 240 1HB ARG 36 1HB ARG 36 47.832 102.114 70.646 241 2HB ARG 36 2HB ARG 36 46.541 100.935 70.875 242 1HG ARG 36 1HG ARG 36 44.860 102.672 70.373 243 2HG ARG 36 2HG ARG 36 46.151 103.852 70.140 244 1HD ARG 36 1HD ARG 36 45.463 102.992 67.953 245 2HD ARG 36 2HD ARG 36 47.081 102.362 68.320 246 HE ARG 36 HE ARG 36 44.799 100.697 69.195 247 1HH1 ARG 36 1HH2 ARG 36 47.556 99.607 68.911 248 2HH1 ARG 36 2HH2 ARG 36 47.475 98.777 67.394 249 1HH2 ARG 36 2HH1 ARG 36 44.574 100.378 66.372 250 2HH2 ARG 36 1HH1 ARG 36 45.786 99.213 65.956 251 H ILE 37 H ILE 37 46.092 101.764 74.788 252 HA ILE 37 HA ILE 37 48.685 100.434 75.397 253 HB ILE 37 HB ILE 37 46.218 101.018 77.070 254 1HG1 ILE 37 1HG1 ILE 37 48.846 102.530 76.988 255 2HG1 ILE 37 2HG1 ILE 37 47.428 103.028 76.067 256 1HG2 ILE 37 1HG2 ILE 37 47.526 100.463 78.955 257 2HG2 ILE 37 2HG2 ILE 37 49.036 100.561 78.048 258 3HG2 ILE 37 3HG2 ILE 37 47.937 99.207 77.787 259 1HD1 ILE 37 1HD1 ILE 37 47.604 102.734 79.079 260 2HD1 ILE 37 2HD1 ILE 37 46.122 103.100 78.196 261 3HD1 ILE 37 3HD1 ILE 37 47.465 104.244 78.178 262 H GLN 38 H GLN 38 48.837 98.280 74.910 263 HA GLN 38 HA GLN 38 46.394 96.561 75.243 264 1HB GLN 38 1HB GLN 38 47.168 96.892 72.897 265 2HB GLN 38 2HB GLN 38 48.757 96.276 73.352 266 1HG GLN 38 1HG GLN 38 47.777 94.119 73.972 267 2HG GLN 38 2HG GLN 38 46.163 94.725 73.599 268 1HE2 GLN 38 1HE2 GLN 38 47.384 92.449 72.248 269 2HE2 GLN 38 2HE2 GLN 38 47.580 92.875 70.616 270 H ASN 39 H ASN 39 46.676 94.621 76.365 271 HA ASN 39 HA ASN 39 49.073 94.496 78.064 272 1HB ASN 39 1HB ASN 39 46.667 94.143 78.825 273 2HB ASN 39 2HB ASN 39 46.704 92.600 77.972 274 1HD2 ASN 39 1HD2 ASN 39 48.749 91.181 78.630 275 2HD2 ASN 39 2HD2 ASN 39 49.126 91.168 80.284 276 H ALA 40 H ALA 40 50.845 93.470 77.260 277 HA ALA 40 HA ALA 40 50.658 91.443 75.120 278 1HB ALA 40 1HB ALA 40 52.771 93.054 76.514 279 2HB ALA 40 2HB ALA 40 52.335 93.033 74.807 280 3HB ALA 40 3HB ALA 40 53.229 91.682 75.504 281 H GLY 41 H GLY 41 51.068 91.532 78.595 282 1HA GLY 41 1HA GLY 41 52.437 88.946 78.731 283 2HA GLY 41 2HA GLY 41 51.905 89.911 80.104 284 H ALA 42 H ALA 42 51.204 87.784 80.903 285 HA ALA 42 HA ALA 42 48.593 86.883 79.739 286 1HB ALA 42 1HB ALA 42 50.272 85.168 79.672 287 2HB ALA 42 2HB ALA 42 49.197 84.758 81.009 288 3HB ALA 42 3HB ALA 42 50.762 85.503 81.332 289 H VAL 43 H VAL 43 50.083 88.301 82.524 290 HA VAL 43 HA VAL 43 47.696 87.668 84.205 291 HB VAL 43 HB VAL 43 50.450 88.814 84.835 292 1HG1 VAL 43 1HG1 VAL 43 48.393 87.806 86.811 293 2HG1 VAL 43 2HG1 VAL 43 48.534 89.509 86.376 294 3HG1 VAL 43 3HG1 VAL 43 49.885 88.683 87.151 295 1HG2 VAL 43 1HG2 VAL 43 50.550 86.520 86.076 296 2HG2 VAL 43 2HG2 VAL 43 50.783 86.543 84.328 297 3HG2 VAL 43 3HG2 VAL 43 49.225 86.067 85.004 298 HA PRO 44 HA PRO 44 45.897 91.577 83.328 299 1HB PRO 44 1HB PRO 44 44.792 92.169 85.766 300 2HB PRO 44 2HB PRO 44 44.070 91.031 84.609 301 1HG PRO 44 1HG PRO 44 45.793 90.466 86.983 302 2HG PRO 44 2HG PRO 44 44.293 89.671 86.468 303 1HD PRO 44 1HD PRO 44 46.655 88.555 85.975 304 2HD PRO 44 2HD PRO 44 45.347 88.479 84.778 305 H ALA 45 H ALA 45 46.591 93.680 83.446 306 HA ALA 45 HA ALA 45 48.492 94.457 85.638 307 1HB ALA 45 1HB ALA 45 49.763 93.786 83.685 308 2HB ALA 45 2HB ALA 45 49.821 95.545 83.799 309 3HB ALA 45 3HB ALA 45 48.745 94.772 82.634 310 H ARG 46 H ARG 46 48.446 96.641 86.176 311 HA ARG 46 HA ARG 46 46.305 98.333 84.910 312 1HB ARG 46 1HB ARG 46 45.674 97.394 87.105 313 2HB ARG 46 2HB ARG 46 47.167 98.009 87.810 314 1HG ARG 46 1HG ARG 46 46.381 100.335 87.089 315 2HG ARG 46 2HG ARG 46 44.807 99.596 86.782 316 1HD ARG 46 1HD ARG 46 44.915 98.680 89.172 317 2HD ARG 46 2HD ARG 46 46.285 99.779 89.423 318 HE ARG 46 HE ARG 46 43.867 100.993 88.245 319 1HH1 ARG 46 1HH2 ARG 46 46.041 102.507 89.684 320 2HH1 ARG 46 2HH2 ARG 46 45.289 102.844 91.207 321 1HH2 ARG 46 2HH1 ARG 46 42.780 100.485 90.792 322 2HH2 ARG 46 1HH1 ARG 46 43.443 101.700 91.834 323 H LEU 47 H LEU 47 46.790 100.598 84.805 324 HA LEU 47 HA LEU 47 49.711 101.198 84.885 325 1HB LEU 47 1HB LEU 47 48.182 101.540 82.863 326 2HB LEU 47 2HB LEU 47 47.424 102.845 83.773 327 HG LEU 47 HG LEU 47 50.414 102.760 83.411 328 1HD1 LEU 47 1HD1 LEU 47 48.299 103.673 81.471 329 2HD1 LEU 47 2HD1 LEU 47 49.756 102.733 81.154 330 3HD1 LEU 47 3HD1 LEU 47 49.878 104.456 81.509 331 1HD2 LEU 47 1HD2 LEU 47 49.826 104.392 84.988 332 2HD2 LEU 47 2HD2 LEU 47 48.317 104.784 84.163 333 3HD2 LEU 47 3HD2 LEU 47 49.856 105.323 83.489 334 H VAL 48 H VAL 48 50.425 102.172 86.737 335 HA VAL 48 HA VAL 48 48.507 103.784 88.345 336 HB VAL 48 HB VAL 48 51.259 102.642 88.948 337 1HG1 VAL 48 1HG1 VAL 48 50.831 104.591 90.341 338 2HG1 VAL 48 2HG1 VAL 48 50.621 103.143 91.323 339 3HG1 VAL 48 3HG1 VAL 48 49.209 104.010 90.719 340 1HG2 VAL 48 1HG2 VAL 48 49.239 101.065 88.574 341 2HG2 VAL 48 2HG2 VAL 48 48.605 101.740 90.074 342 3HG2 VAL 48 3HG2 VAL 48 50.144 100.880 90.076 343 H ALA 49 H ALA 49 51.551 104.066 86.536 344 HA ALA 49 HA ALA 49 51.348 107.022 86.931 345 1HB ALA 49 1HB ALA 49 53.016 106.717 88.451 346 2HB ALA 49 2HB ALA 49 54.047 106.614 87.024 347 3HB ALA 49 3HB ALA 49 53.456 105.141 87.793 348 H ARG 50 H ARG 50 52.640 108.257 85.380 349 HA ARG 50 HA ARG 50 53.490 106.861 82.864 350 1HB ARG 50 1HB ARG 50 52.055 108.368 81.571 351 2HB ARG 50 2HB ARG 50 51.073 107.457 82.715 352 1HG ARG 50 1HG ARG 50 51.284 109.432 84.300 353 2HG ARG 50 2HG ARG 50 51.991 110.332 82.958 354 1HD ARG 50 1HD ARG 50 49.978 110.112 81.643 355 2HD ARG 50 2HD ARG 50 49.280 108.970 82.808 356 HE ARG 50 HE ARG 50 49.789 111.107 84.411 357 1HH1 ARG 50 1HH2 ARG 50 49.582 112.274 81.423 358 2HH1 ARG 50 2HH2 ARG 50 48.022 113.016 81.555 359 1HH2 ARG 50 2HH1 ARG 50 47.234 111.440 84.543 360 2HH2 ARG 50 1HH1 ARG 50 46.693 112.543 83.321 361 H HIS 51 H HIS 51 55.174 107.860 81.870 362 HA HIS 51 HA HIS 51 55.951 110.627 82.657 363 1HB HIS 51 1HB HIS 51 57.016 109.076 84.247 364 2HB HIS 51 2HB HIS 51 57.667 108.136 82.908 365 HD1 HIS 51 HD1 HIS 51 60.069 108.744 83.960 366 HD2 HIS 51 HD2 HIS 51 57.947 111.950 82.354 367 HE1 HIS 51 HE1 HIS 51 61.736 110.626 83.658 368 H TRP 52 H TRP 52 56.121 111.629 80.713 369 HA TRP 52 HA TRP 52 57.051 110.118 78.305 370 1HB TRP 52 1HB TRP 52 55.508 112.627 78.898 371 2HB TRP 52 2HB TRP 52 56.242 112.405 77.311 372 HD1 TRP 52 HD1 TRP 52 53.221 111.547 79.244 373 HE1 TRP 52 HE1 TRP 52 51.819 109.779 77.994 374 HE3 TRP 52 HE3 TRP 52 56.600 110.081 75.707 375 HZ2 TRP 52 HZ2 TRP 52 52.099 107.981 75.782 376 HZ3 TRP 52 HZ3 TRP 52 56.007 108.343 74.045 377 HH2 TRP 52 HH2 TRP 52 53.763 107.291 74.079 378 H GLN 53 H GLN 53 58.989 110.553 77.361 379 HA GLN 53 HA GLN 53 60.637 112.828 78.430 380 1HB GLN 53 1HB GLN 53 61.344 110.468 78.924 381 2HB GLN 53 2HB GLN 53 61.492 110.195 77.188 382 1HG GLN 53 1HG GLN 53 63.222 111.858 76.994 383 2HG GLN 53 2HG GLN 53 62.961 112.401 78.651 384 1HE2 GLN 53 1HE2 GLN 53 65.519 111.415 77.666 385 2HE2 GLN 53 2HE2 GLN 53 65.875 109.990 78.518 386 H ILE 54 H ILE 54 59.514 114.148 76.667 387 HA ILE 54 HA ILE 54 60.040 113.427 73.868 388 HB ILE 54 HB ILE 54 58.719 115.381 73.394 389 1HG1 ILE 54 1HG1 ILE 54 58.873 116.107 76.333 390 2HG1 ILE 54 2HG1 ILE 54 59.817 116.895 75.073 391 1HG2 ILE 54 1HG2 ILE 54 57.594 113.333 74.359 392 2HG2 ILE 54 2HG2 ILE 54 56.686 114.834 74.542 393 3HG2 ILE 54 3HG2 ILE 54 57.569 114.165 75.914 394 1HD1 ILE 54 1HD1 ILE 54 57.892 118.265 75.378 395 2HD1 ILE 54 2HD1 ILE 54 56.815 116.869 75.380 396 3HD1 ILE 54 3HD1 ILE 54 57.612 117.365 73.887 397 H THR 55 H THR 55 61.728 114.048 72.661 398 HA THR 55 HA THR 55 63.486 116.288 73.629 399 HB THR 55 HB THR 55 64.214 113.771 72.056 400 HG1 THR 55 HG1 THR 55 64.582 112.864 73.907 401 1HG2 THR 55 1HG2 THR 55 66.498 114.862 73.252 402 2HG2 THR 55 2HG2 THR 55 65.626 116.256 72.614 403 3HG2 THR 55 3HG2 THR 55 66.074 114.929 71.543 404 H ASP 56 H ASP 56 63.689 117.938 72.252 405 HA ASP 56 HA ASP 56 62.317 117.735 69.660 406 1HB ASP 56 1HB ASP 56 62.037 119.585 71.395 407 2HB ASP 56 2HB ASP 56 63.649 120.135 70.939 408 H GLY 57 H GLY 57 63.382 118.911 67.782 409 1HA GLY 57 1HA GLY 57 65.810 117.631 67.045 410 2HA GLY 57 2HA GLY 57 65.074 118.969 66.176 411 H ASN 58 H ASN 58 65.507 120.285 69.170 412 HA ASN 58 HA ASN 58 68.178 121.359 68.389 413 1HB ASN 58 1HB ASN 58 65.980 122.357 70.234 414 2HB ASN 58 2HB ASN 58 67.505 123.203 69.970 415 1HD2 ASN 58 1HD2 ASN 58 67.964 123.265 67.342 416 2HD2 ASN 58 2HD2 ASN 58 66.649 123.873 66.456 417 H GLY 59 H GLY 59 67.098 118.909 70.259 418 1HA GLY 59 1HA GLY 59 68.502 117.657 71.752 419 2HA GLY 59 2HA GLY 59 69.438 119.117 72.056 420 H ARG 60 H ARG 60 66.927 120.706 72.561 421 HA ARG 60 HA ARG 60 66.796 120.401 75.404 422 1HB ARG 60 1HB ARG 60 65.571 121.978 73.261 423 2HB ARG 60 2HB ARG 60 64.433 121.655 74.566 424 1HG ARG 60 1HG ARG 60 65.396 123.368 75.677 425 2HG ARG 60 2HG ARG 60 66.794 122.320 75.903 426 1HD ARG 60 1HD ARG 60 67.466 124.483 74.887 427 2HD ARG 60 2HD ARG 60 67.740 123.152 73.748 428 HE ARG 60 HE ARG 60 65.067 124.175 73.432 429 1HH1 ARG 60 2HH1 ARG 60 67.715 126.128 73.497 430 2HH1 ARG 60 1HH1 ARG 60 67.698 126.558 71.819 431 1HH2 ARG 60 1HH2 ARG 60 65.320 124.185 70.963 432 2HH2 ARG 60 2HH2 ARG 60 66.341 125.458 70.385 433 H THR 61 H THR 61 65.355 119.241 76.715 434 HA THR 61 HA THR 61 63.284 117.600 75.307 435 HB THR 61 HB THR 61 63.970 115.715 76.767 436 HG1 THR 61 HG1 THR 61 65.138 116.129 78.440 437 1HG2 THR 61 1HG2 THR 61 65.728 115.114 75.429 438 2HG2 THR 61 2HG2 THR 61 66.582 116.634 75.692 439 3HG2 THR 61 3HG2 THR 61 65.244 116.562 74.547 440 H GLU 62 H GLU 62 61.380 117.165 76.582 441 HA GLU 62 HA GLU 62 61.180 118.734 79.134 442 1HB GLU 62 1HB GLU 62 59.993 119.716 77.190 443 2HB GLU 62 2HB GLU 62 59.111 118.203 76.973 444 1HG GLU 62 1HG GLU 62 58.135 118.444 79.229 445 2HG GLU 62 2HG GLU 62 59.012 119.956 79.447 446 H GLN 63 H GLN 63 60.819 117.415 80.850 447 HA GLN 63 HA GLN 63 59.716 114.667 80.411 448 1HB GLN 63 1HB GLN 63 61.279 116.044 82.606 449 2HB GLN 63 2HB GLN 63 60.664 114.397 82.747 450 1HG GLN 63 1HG GLN 63 61.925 113.749 80.728 451 2HG GLN 63 2HG GLN 63 62.544 115.395 80.587 452 1HE2 GLN 63 1HE2 GLN 63 63.950 112.720 81.211 453 2HE2 GLN 63 2HE2 GLN 63 64.829 113.042 82.627 454 H VAL 64 H VAL 64 57.714 114.150 81.214 455 HA VAL 64 HA VAL 64 56.420 116.049 83.147 456 HB VAL 64 HB VAL 64 55.211 114.584 80.769 457 1HG1 VAL 64 1HG1 VAL 64 54.027 116.428 82.858 458 2HG1 VAL 64 2HG1 VAL 64 53.525 114.784 82.463 459 3HG1 VAL 64 3HG1 VAL 64 53.234 116.095 81.319 460 1HG2 VAL 64 1HG2 VAL 64 54.968 116.834 79.805 461 2HG2 VAL 64 2HG2 VAL 64 56.664 116.505 80.159 462 3HG2 VAL 64 3HG2 VAL 64 55.724 117.541 81.233 463 H ASP 65 H ASP 65 55.677 115.081 84.942 464 HA ASP 65 HA ASP 65 55.313 112.096 84.962 465 1HB ASP 65 1HB ASP 65 57.364 113.044 86.095 466 2HB ASP 65 2HB ASP 65 56.284 113.904 87.194 467 H GLY 66 H GLY 66 53.260 111.500 85.535 468 1HA GLY 66 1HA GLY 66 51.743 113.138 87.471 469 2HA GLY 66 2HA GLY 66 51.015 112.934 85.876 470 H GLU 67 H GLU 67 50.087 111.910 88.515 471 HA GLU 67 HA GLU 67 50.531 109.027 88.547 472 1HB GLU 67 1HB GLU 67 48.585 110.927 89.886 473 2HB GLU 67 2HB GLU 67 48.635 109.199 90.239 474 1HG GLU 67 1HG GLU 67 51.007 109.397 90.892 475 2HG GLU 67 2HG GLU 67 50.959 111.124 90.543 476 H GLY 68 H GLY 68 48.889 107.416 88.034 477 1HA GLY 68 1HA GLY 68 47.343 106.455 86.566 478 2HA GLY 68 2HA GLY 68 46.324 107.810 87.038 479 H VAL 69 H VAL 69 45.592 107.391 84.739 480 HA VAL 69 HA VAL 69 47.159 109.102 82.820 481 HB VAL 69 HB VAL 69 46.329 107.487 81.063 482 1HG1 VAL 69 1HG1 VAL 69 48.552 107.084 81.497 483 2HG1 VAL 69 2HG1 VAL 69 47.879 105.550 82.047 484 3HG1 VAL 69 3HG1 VAL 69 48.277 106.808 83.217 485 1HG2 VAL 69 1HG2 VAL 69 44.473 106.525 82.432 486 2HG2 VAL 69 2HG2 VAL 69 45.673 105.753 83.468 487 3HG2 VAL 69 3HG2 VAL 69 45.539 105.283 81.775 488 H VAL 70 H VAL 70 46.006 110.708 82.042 489 HA VAL 70 HA VAL 70 44.227 112.215 81.854 490 HB VAL 70 HB VAL 70 42.606 111.427 80.220 491 1HG1 VAL 70 1HG1 VAL 70 45.318 111.359 79.868 492 2HG1 VAL 70 2HG1 VAL 70 44.136 111.156 78.575 493 3HG1 VAL 70 3HG1 VAL 70 44.858 109.740 79.338 494 1HG2 VAL 70 1HG2 VAL 70 42.054 109.299 81.423 495 2HG2 VAL 70 2HG2 VAL 70 43.557 108.610 80.810 496 3HG2 VAL 70 3HG2 VAL 70 42.286 109.091 79.691 497 H GLY 71 H GLY 71 44.232 110.940 84.427 498 1HA GLY 71 1HA GLY 71 42.832 111.222 86.305 499 2HA GLY 71 2HA GLY 71 41.499 111.587 85.223 500 H GLU 72 H GLU 72 43.140 108.601 84.548 501 HA GLU 72 HA GLU 72 41.216 107.085 86.254 502 1HB GLU 72 1HB GLU 72 40.447 105.798 84.281 503 2HB GLU 72 2HB GLU 72 40.075 107.515 84.132 504 1HG GLU 72 1HG GLU 72 41.934 107.859 82.657 505 2HG GLU 72 2HG GLU 72 42.540 106.231 82.937 506 H GLN 73 H GLN 73 41.793 104.943 86.662 507 HA GLN 73 HA GLN 73 44.598 104.135 85.914 508 1HB GLN 73 1HB GLN 73 42.861 103.719 88.365 509 2HB GLN 73 2HB GLN 73 44.407 102.911 88.117 510 1HG GLN 73 1HG GLN 73 45.591 105.002 88.077 511 2HG GLN 73 2HG GLN 73 44.084 105.918 88.037 512 1HE2 GLN 73 1HE2 GLN 73 46.398 105.674 90.126 513 2HE2 GLN 73 2HE2 GLN 73 45.573 105.416 91.586 514 HA PRO 74 HA PRO 74 41.417 101.249 84.045 515 1HB PRO 74 1HB PRO 74 42.928 100.590 81.868 516 2HB PRO 74 2HB PRO 74 41.835 101.989 81.910 517 1HG PRO 74 1HG PRO 74 44.787 101.882 82.276 518 2HG PRO 74 2HG PRO 74 43.800 103.061 81.397 519 1HD PRO 74 1HD PRO 74 44.801 103.539 83.864 520 2HD PRO 74 2HD PRO 74 43.268 104.234 83.292 521 H TRP 75 H TRP 75 41.433 99.052 84.311 522 HA TRP 75 HA TRP 75 43.938 97.755 85.317 523 1HB TRP 75 1HB TRP 75 41.602 97.930 86.528 524 2HB TRP 75 2HB TRP 75 41.139 96.637 85.423 525 HD1 TRP 75 HD1 TRP 75 43.786 97.420 88.112 526 HE1 TRP 75 HE1 TRP 75 44.550 95.196 89.168 527 HE3 TRP 75 HE3 TRP 75 41.214 94.124 85.180 528 HZ2 TRP 75 HZ2 TRP 75 44.126 92.389 88.815 529 HZ3 TRP 75 HZ3 TRP 75 41.411 91.682 85.563 530 HH2 TRP 75 HH2 TRP 75 42.862 90.812 87.374 531 H LEU 76 H LEU 76 44.569 97.685 82.926 532 HA LEU 76 HA LEU 76 43.113 96.285 80.936 533 1HB LEU 76 1HB LEU 76 45.900 97.152 81.447 534 2HB LEU 76 2HB LEU 76 45.697 95.900 80.222 535 HG LEU 76 HG LEU 76 44.174 98.523 80.270 536 1HD1 LEU 76 1HD1 LEU 76 46.284 97.726 78.276 537 2HD1 LEU 76 2HD1 LEU 76 46.731 98.525 79.783 538 3HD1 LEU 76 3HD1 LEU 76 45.660 99.335 78.639 539 1HD2 LEU 76 1HD2 LEU 76 42.803 97.167 79.005 540 2HD2 LEU 76 2HD2 LEU 76 44.110 96.058 78.589 541 3HD2 LEU 76 3HD2 LEU 76 43.963 97.601 77.751 542 H ARG 77 H ARG 77 42.543 94.188 80.844 543 HA ARG 77 HA ARG 77 43.911 92.145 82.488 544 1HB ARG 77 1HB ARG 77 41.443 92.362 80.768 545 2HB ARG 77 2HB ARG 77 42.036 90.772 81.245 546 1HG ARG 77 1HG ARG 77 42.119 92.225 83.620 547 2HG ARG 77 2HG ARG 77 40.642 92.795 82.844 548 1HD ARG 77 1HD ARG 77 41.349 89.871 83.305 549 2HD ARG 77 2HD ARG 77 40.177 90.809 84.251 550 HE ARG 77 HE ARG 77 39.174 91.247 81.819 551 1HH1 ARG 77 1HH2 ARG 77 40.956 88.998 80.781 552 2HH1 ARG 77 2HH2 ARG 77 39.857 87.660 80.817 553 1HH2 ARG 77 2HH1 ARG 77 37.569 89.251 82.879 554 2HH2 ARG 77 1HH1 ARG 77 37.940 87.802 82.005 555 HA PRO 78 HA PRO 78 46.569 90.639 79.331 556 1HB PRO 78 1HB PRO 78 46.097 87.943 79.220 557 2HB PRO 78 2HB PRO 78 47.044 88.707 80.513 558 1HG PRO 78 1HG PRO 78 44.193 87.842 80.516 559 2HG PRO 78 2HG PRO 78 45.421 87.680 81.782 560 1HD PRO 78 1HD PRO 78 43.515 89.591 81.848 561 2HD PRO 78 2HD PRO 78 45.140 89.837 82.522 562 H GLY 79 H GLY 79 46.341 90.823 77.171 563 1HA GLY 79 1HA GLY 79 45.481 90.316 75.001 564 2HA GLY 79 2HA GLY 79 44.154 89.442 75.758 565 H GLU 80 H GLU 80 43.849 92.058 77.517 566 HA GLU 80 HA GLU 80 41.889 93.303 75.691 567 1HB GLU 80 1HB GLU 80 42.635 93.636 78.613 568 2HB GLU 80 2HB GLU 80 41.359 94.570 77.831 569 1HG GLU 80 1HG GLU 80 41.445 91.541 77.904 570 2HG GLU 80 2HG GLU 80 40.502 92.534 79.016 571 H ALA 81 H ALA 81 41.824 95.744 75.591 572 HA ALA 81 HA ALA 81 44.481 97.049 75.890 573 1HB ALA 81 1HB ALA 81 43.866 95.904 73.562 574 2HB ALA 81 2HB ALA 81 44.702 97.457 73.612 575 3HB ALA 81 3HB ALA 81 42.961 97.400 73.331 576 H PHE 82 H PHE 82 44.319 99.350 76.064 577 HA PHE 82 HA PHE 82 41.534 100.430 76.345 578 1HB PHE 82 1HB PHE 82 42.755 100.145 78.477 579 2HB PHE 82 2HB PHE 82 44.095 101.099 77.841 580 HD1 PHE 82 HD1 PHE 82 43.889 103.518 77.525 581 HD2 PHE 82 HD2 PHE 82 40.626 101.191 79.069 582 HE1 PHE 82 HE1 PHE 82 42.743 105.598 78.243 583 HE2 PHE 82 HE2 PHE 82 39.481 103.269 79.785 584 HZ PHE 82 HZ PHE 82 40.540 105.473 79.371 585 H HIS 83 H HIS 83 41.229 102.578 75.419 586 HA HIS 83 HA HIS 83 43.595 103.791 74.068 587 1HB HIS 83 1HB HIS 83 42.268 103.917 71.966 588 2HB HIS 83 2HB HIS 83 42.545 102.253 72.477 589 HD1 HIS 83 HD1 HIS 83 39.845 104.910 72.426 590 HD2 HIS 83 HD2 HIS 83 40.215 100.811 73.093 591 HE1 HIS 83 HE1 HIS 83 37.489 103.990 72.562 592 H TYR 84 H TYR 84 43.517 106.018 73.972 593 HA TYR 84 HA TYR 84 40.966 107.448 74.368 594 1HB TYR 84 1HB TYR 84 41.769 108.623 76.356 595 2HB TYR 84 2HB TYR 84 41.832 106.888 76.642 596 HD1 TYR 84 HD1 TYR 84 43.792 109.953 76.163 597 HD2 TYR 84 HD2 TYR 84 43.989 105.697 76.696 598 HE1 TYR 84 HE1 TYR 84 46.200 110.134 76.728 599 HE2 TYR 84 HE2 TYR 84 46.397 105.876 77.255 600 HH TYR 84 HH TYR 84 47.861 108.510 78.222 601 H THR 85 H THR 85 41.245 109.798 73.916 602 HA THR 85 HA THR 85 43.498 110.242 72.002 603 HB THR 85 HB THR 85 40.858 111.685 72.384 604 HG1 THR 85 HG1 THR 85 40.171 110.421 70.682 605 1HG2 THR 85 1HG2 THR 85 42.530 113.063 71.259 606 2HG2 THR 85 2HG2 THR 85 41.332 112.516 70.086 607 3HG2 THR 85 3HG2 THR 85 42.914 111.740 70.159 608 H SER 86 H SER 86 44.940 111.913 72.297 609 HA SER 86 HA SER 86 44.517 113.713 74.661 610 1HB SER 86 1HB SER 86 46.226 112.105 75.138 611 2HB SER 86 2HB SER 86 46.970 112.332 73.556 612 HG SER 86 HG SER 86 47.089 113.894 75.853 613 H GLY 87 H GLY 87 45.785 115.861 74.367 614 1HA GLY 87 1HA GLY 87 46.349 116.533 71.530 615 2HA GLY 87 2HA GLY 87 45.154 117.506 72.385 616 H VAL 88 H VAL 88 48.330 117.428 71.525 617 HA VAL 88 HA VAL 88 49.103 119.283 73.757 618 HB VAL 88 HB VAL 88 50.760 117.106 72.430 619 1HG1 VAL 88 1HG1 VAL 88 51.404 119.268 74.432 620 2HG1 VAL 88 2HG1 VAL 88 52.297 118.806 72.983 621 3HG1 VAL 88 3HG1 VAL 88 52.321 117.763 74.405 622 1HG2 VAL 88 1HG2 VAL 88 49.848 117.335 75.311 623 2HG2 VAL 88 2HG2 VAL 88 50.635 115.956 74.541 624 3HG2 VAL 88 3HG2 VAL 88 48.985 116.390 74.098 625 H LEU 89 H LEU 89 50.464 121.020 73.090 626 HA LEU 89 HA LEU 89 50.558 121.427 70.133 627 1HB LEU 89 1HB LEU 89 50.604 123.822 70.723 628 2HB LEU 89 2HB LEU 89 49.252 123.017 71.516 629 HG LEU 89 HG LEU 89 51.385 122.742 73.325 630 1HD1 LEU 89 1HD1 LEU 89 52.019 125.187 73.628 631 2HD1 LEU 89 2HD1 LEU 89 51.366 125.469 72.014 632 3HD1 LEU 89 3HD1 LEU 89 52.740 124.385 72.232 633 1HD2 LEU 89 1HD2 LEU 89 48.963 123.193 73.795 634 2HD2 LEU 89 2HD2 LEU 89 49.220 124.869 73.310 635 3HD2 LEU 89 3HD2 LEU 89 50.050 124.224 74.726 636 H LEU 90 H LEU 90 52.558 121.907 69.144 637 HA LEU 90 HA LEU 90 54.962 121.836 70.938 638 1HB LEU 90 1HB LEU 90 54.329 120.548 68.283 639 2HB LEU 90 2HB LEU 90 55.994 120.715 68.846 640 HG LEU 90 HG LEU 90 53.880 119.511 70.624 641 1HD1 LEU 90 1HD1 LEU 90 53.699 118.067 68.773 642 2HD1 LEU 90 2HD1 LEU 90 54.926 117.286 69.770 643 3HD1 LEU 90 3HD1 LEU 90 55.406 118.232 68.361 644 1HD2 LEU 90 1HD2 LEU 90 56.900 119.306 70.409 645 2HD2 LEU 90 2HD2 LEU 90 55.923 118.361 71.534 646 3HD2 LEU 90 3HD2 LEU 90 55.985 120.117 71.681 647 H GLU 91 H GLU 91 56.625 123.376 70.417 648 HA GLU 91 HA GLU 91 55.861 125.586 68.639 649 1HB GLU 91 1HB GLU 91 57.952 126.569 69.549 650 2HB GLU 91 2HB GLU 91 56.922 125.944 70.835 651 1HG GLU 91 1HG GLU 91 58.756 123.905 69.809 652 2HG GLU 91 2HG GLU 91 59.611 125.312 70.434 653 H THR 92 H THR 92 57.771 122.693 68.420 654 HA THR 92 HA THR 92 59.268 123.659 66.027 655 HB THR 92 HB THR 92 59.447 121.001 67.449 656 HG1 THR 92 HG1 THR 92 59.826 122.327 69.092 657 1HG2 THR 92 1HG2 THR 92 61.503 120.799 66.404 658 2HG2 THR 92 2HG2 THR 92 61.730 122.543 66.283 659 3HG2 THR 92 3HG2 THR 92 60.623 121.720 65.186 660 H GLU 93 H GLU 93 58.595 122.937 63.963 661 HA GLU 93 HA GLU 93 56.174 121.333 63.731 662 1HB GLU 93 1HB GLU 93 56.971 123.239 62.235 663 2HB GLU 93 2HB GLU 93 58.162 122.116 61.578 664 1HG GLU 93 1HG GLU 93 56.349 120.582 60.903 665 2HG GLU 93 2HG GLU 93 55.157 121.704 61.556 666 H GLN 94 H GLN 94 59.383 120.448 64.279 667 HA GLN 94 HA GLN 94 58.828 117.702 63.276 668 1HB GLN 94 1HB GLN 94 61.195 117.633 62.462 669 2HB GLN 94 2HB GLN 94 60.237 118.859 61.634 670 1HG GLN 94 1HG GLN 94 61.145 120.592 63.143 671 2HG GLN 94 2HG GLN 94 62.107 119.366 63.970 672 1HE2 GLN 94 1HE2 GLN 94 64.241 119.695 63.301 673 2HE2 GLN 94 2HE2 GLN 94 64.729 119.892 61.687 674 H GLY 95 H GLY 95 59.661 116.064 64.790 675 1HA GLY 95 1HA GLY 95 61.688 116.666 66.723 676 2HA GLY 95 2HA GLY 95 60.116 116.919 67.467 677 H GLN 96 H GLN 96 61.787 115.088 68.523 678 HA GLN 96 HA GLN 96 60.684 112.397 67.721 679 1HB GLN 96 1HB GLN 96 63.243 113.153 69.173 680 2HB GLN 96 2HB GLN 96 62.779 111.530 68.668 681 1HG GLN 96 1HG GLN 96 63.119 113.832 66.733 682 2HG GLN 96 2HG GLN 96 64.413 112.700 67.129 683 1HE2 GLN 96 1HE2 GLN 96 63.157 110.244 67.187 684 2HE2 GLN 96 2HE2 GLN 96 62.433 109.901 65.691 685 H MET 97 H MET 97 59.396 111.439 69.295 686 HA MET 97 HA MET 97 59.638 112.463 72.109 687 1HB MET 97 1HB MET 97 57.243 111.777 70.396 688 2HB MET 97 2HB MET 97 57.128 112.034 72.136 689 1HG MET 97 1HG MET 97 58.023 114.296 71.891 690 2HG MET 97 2HG MET 97 58.245 114.045 70.161 691 1HE MET 97 1HE MET 97 54.411 113.415 72.346 692 2HE MET 97 2HE MET 97 55.081 114.958 72.869 693 3HE MET 97 3HE MET 97 56.063 113.500 72.974 694 H GLN 98 H GLN 98 60.261 110.822 73.487 695 HA GLN 98 HA GLN 98 59.383 108.007 72.895 696 1HB GLN 98 1HB GLN 98 61.949 109.248 73.911 697 2HB GLN 98 2HB GLN 98 61.576 107.550 74.207 698 1HG GLN 98 1HG GLN 98 61.548 107.040 71.892 699 2HG GLN 98 2HG GLN 98 61.479 108.743 71.436 700 1HE2 GLN 98 1HE2 GLN 98 63.544 106.908 70.501 701 2HE2 GLN 98 2HE2 GLN 98 65.026 107.455 71.122 702 H GLY 99 H GLY 99 58.774 106.793 74.866 703 1HA GLY 99 1HA GLY 99 58.982 108.073 77.473 704 2HA GLY 99 2HA GLY 99 57.353 108.207 76.823 705 H HIS 100 H HIS 100 57.475 106.897 79.095 706 HA HIS 100 HA HIS 100 56.991 104.061 78.321 707 1HB HIS 100 1HB HIS 100 58.278 103.350 80.338 708 2HB HIS 100 2HB HIS 100 59.286 104.181 79.155 709 HD1 HIS 100 HD1 HIS 100 59.584 106.870 79.666 710 HD2 HIS 100 HD2 HIS 100 58.427 104.462 82.866 711 HE1 HIS 100 HE1 HIS 100 60.088 108.184 81.769 712 H TYR 101 H TYR 101 55.551 102.969 79.822 713 HA TYR 101 HA TYR 101 53.952 104.847 81.518 714 1HB TYR 101 1HB TYR 101 53.297 102.558 79.688 715 2HB TYR 101 2HB TYR 101 52.206 102.901 81.026 716 HD1 TYR 101 HD1 TYR 101 52.331 105.875 81.177 717 HD2 TYR 101 HD2 TYR 101 52.162 103.261 77.767 718 HE1 TYR 101 HE1 TYR 101 51.289 107.681 79.844 719 HE2 TYR 101 HE2 TYR 101 51.118 105.075 76.436 720 HH TYR 101 HH TYR 101 49.601 107.367 77.330 721 H ASP 102 H ASP 102 53.935 104.300 83.758 722 HA ASP 102 HA ASP 102 55.268 101.824 84.626 723 1HB ASP 102 1HB ASP 102 55.408 104.124 85.729 724 2HB ASP 102 2HB ASP 102 53.727 103.905 86.214 725 H MET 103 H MET 103 54.268 99.968 84.830 726 HA MET 103 HA MET 103 51.277 99.890 85.179 727 1HB MET 103 1HB MET 103 53.210 98.008 83.790 728 2HB MET 103 2HB MET 103 51.469 97.763 83.910 729 1HG MET 103 1HG MET 103 52.718 100.222 82.658 730 2HG MET 103 2HG MET 103 52.241 98.799 81.732 731 1HE MET 103 1HE MET 103 49.214 98.409 81.157 732 2HE MET 103 2HE MET 103 48.706 98.236 82.835 733 3HE MET 103 3HE MET 103 50.265 97.594 82.324 734 H VAL 104 H VAL 104 50.524 97.965 86.397 735 HA VAL 104 HA VAL 104 52.565 96.727 88.190 736 HB VAL 104 HB VAL 104 50.934 97.210 90.097 737 1HG1 VAL 104 1HG1 VAL 104 52.183 99.604 88.727 738 2HG1 VAL 104 2HG1 VAL 104 53.059 98.441 89.723 739 3HG1 VAL 104 3HG1 VAL 104 51.810 99.456 90.444 740 1HG2 VAL 104 1HG2 VAL 104 49.363 99.063 89.789 741 2HG2 VAL 104 2HG2 VAL 104 48.986 97.780 88.641 742 3HG2 VAL 104 3HG2 VAL 104 49.843 99.222 88.099 743 H ALA 105 H ALA 105 52.172 94.554 88.358 744 HA ALA 105 HA ALA 105 49.838 93.292 87.124 745 1HB ALA 105 1HB ALA 105 50.966 91.280 88.329 746 2HB ALA 105 2HB ALA 105 52.228 92.434 88.758 747 3HB ALA 105 3HB ALA 105 51.883 92.095 87.063 748 H ASP 106 H ASP 106 48.421 91.786 88.388 749 HA ASP 106 HA ASP 106 47.097 93.155 90.536 750 1HB ASP 106 1HB ASP 106 45.831 91.018 90.689 751 2HB ASP 106 2HB ASP 106 46.028 91.541 89.017 752 H ASP 107 H ASP 107 49.690 90.756 90.510 753 HA ASP 107 HA ASP 107 49.480 90.071 93.326 754 1HB ASP 107 1HB ASP 107 51.632 88.939 92.855 755 2HB ASP 107 2HB ASP 107 50.436 88.598 91.607 756 H GLY 108 H GLY 108 50.545 92.929 91.841 757 1HA GLY 108 1HA GLY 108 51.306 94.797 93.184 758 2HA GLY 108 2HA GLY 108 52.030 93.654 94.311 759 H THR 109 H THR 109 52.983 92.322 91.522 760 HA THR 109 HA THR 109 55.695 93.126 91.687 761 HB THR 109 HB THR 109 54.118 92.100 89.302 762 HG1 THR 109 HG1 THR 109 55.457 90.790 91.429 763 1HG2 THR 109 1HG2 THR 109 57.067 91.901 89.976 764 2HG2 THR 109 2HG2 THR 109 56.372 92.924 88.719 765 3HG2 THR 109 3HG2 THR 109 56.278 91.169 88.579 766 H GLU 110 H GLU 110 56.804 94.901 90.832 767 HA GLU 110 HA GLU 110 55.183 96.910 89.348 768 1HB GLU 110 1HB GLU 110 56.320 97.515 91.469 769 2HB GLU 110 2HB GLU 110 57.871 97.091 90.746 770 1HG GLU 110 1HG GLU 110 57.540 98.816 89.011 771 2HG GLU 110 2HG GLU 110 55.989 99.245 89.736 772 H PHE 111 H PHE 111 55.764 97.606 87.308 773 HA PHE 111 HA PHE 111 58.352 97.071 86.082 774 1HB PHE 111 1HB PHE 111 57.615 95.382 84.512 775 2HB PHE 111 2HB PHE 111 57.172 94.823 86.122 776 HD1 PHE 111 HD1 PHE 111 55.940 96.064 82.900 777 HD2 PHE 111 HD2 PHE 111 54.815 94.857 86.865 778 HE1 PHE 111 HE1 PHE 111 53.576 95.902 82.178 779 HE2 PHE 111 HE2 PHE 111 52.448 94.695 86.140 780 HZ PHE 111 HZ PHE 111 51.828 95.217 83.799 781 H ILE 112 H ILE 112 58.620 98.310 84.232 782 HA ILE 112 HA ILE 112 56.438 100.254 83.671 783 HB ILE 112 HB ILE 112 59.392 100.186 82.961 784 1HG1 ILE 112 1HG1 ILE 112 57.950 101.860 85.038 785 2HG1 ILE 112 2HG1 ILE 112 58.786 100.354 85.419 786 1HG2 ILE 112 1HG2 ILE 112 59.052 102.601 82.470 787 2HG2 ILE 112 2HG2 ILE 112 57.321 102.393 82.741 788 3HG2 ILE 112 3HG2 ILE 112 58.108 101.570 81.394 789 1HD1 ILE 112 1HD1 ILE 112 60.500 101.860 85.802 790 2HD1 ILE 112 2HD1 ILE 112 59.919 102.992 84.581 791 3HD1 ILE 112 3HD1 ILE 112 60.771 101.527 84.092 792 H ALA 113 H ALA 113 55.942 100.802 81.439 793 HA ALA 113 HA ALA 113 56.492 98.600 79.475 794 1HB ALA 113 1HB ALA 113 54.049 100.371 79.864 795 2HB ALA 113 2HB ALA 113 54.160 98.665 80.301 796 3HB ALA 113 3HB ALA 113 54.220 99.147 78.606 797 HA PRO 114 HA PRO 114 58.470 102.388 77.843 798 1HB PRO 114 1HB PRO 114 59.934 101.106 75.936 799 2HB PRO 114 2HB PRO 114 60.460 101.245 77.626 800 1HG PRO 114 1HG PRO 114 59.170 98.953 76.230 801 2HG PRO 114 2HG PRO 114 60.495 98.958 77.406 802 1HD PRO 114 1HD PRO 114 57.955 98.326 78.076 803 2HD PRO 114 2HD PRO 114 59.081 99.110 79.205 804 H ILE 115 H ILE 115 57.981 103.579 76.110 805 HA ILE 115 HA ILE 115 56.062 102.459 74.079 806 HB ILE 115 HB ILE 115 56.492 105.315 75.027 807 1HG1 ILE 115 1HG1 ILE 115 54.200 103.445 75.694 808 2HG1 ILE 115 2HG1 ILE 115 55.572 103.709 76.771 809 1HG2 ILE 115 1HG2 ILE 115 54.031 105.285 73.971 810 2HG2 ILE 115 2HG2 ILE 115 54.745 103.988 73.012 811 3HG2 ILE 115 3HG2 ILE 115 55.463 105.598 72.991 812 1HD1 ILE 115 1HD1 ILE 115 54.122 105.323 77.577 813 2HD1 ILE 115 2HD1 ILE 115 53.377 105.590 76.001 814 3HD1 ILE 115 3HD1 ILE 115 54.970 106.263 76.349 815 H ALA 116 H ALA 116 56.925 102.263 72.086 816 HA ALA 116 HA ALA 116 59.517 102.813 71.249 817 1HB ALA 116 1HB ALA 116 58.587 102.594 68.987 818 2HB ALA 116 2HB ALA 116 56.972 102.942 69.604 819 3HB ALA 116 3HB ALA 116 57.798 101.458 70.082 820 H ALA 117 H ALA 117 60.178 104.431 69.487 821 HA ALA 117 HA ALA 117 59.393 107.163 70.354 822 1HB ALA 117 1HB ALA 117 61.785 106.044 70.129 823 2HB ALA 117 2HB ALA 117 61.551 107.735 69.684 824 3HB ALA 117 3HB ALA 117 61.597 106.492 68.433 825 H PHE 118 H PHE 118 58.005 108.294 69.083 826 HA PHE 118 HA PHE 118 57.780 107.561 66.184 827 1HB PHE 118 1HB PHE 118 55.495 108.557 66.390 828 2HB PHE 118 2HB PHE 118 55.730 107.194 67.479 829 HD1 PHE 118 HD1 PHE 118 55.853 107.504 69.887 830 HD2 PHE 118 HD2 PHE 118 55.423 110.865 67.246 831 HE1 PHE 118 HE1 PHE 118 55.255 108.943 71.815 832 HE2 PHE 118 HE2 PHE 118 54.827 112.304 69.176 833 HZ PHE 118 HZ PHE 118 54.742 111.344 71.460 834 H VAL 119 H VAL 119 57.568 109.440 64.699 835 HA VAL 119 HA VAL 119 58.857 111.891 65.843 836 HB VAL 119 HB VAL 119 60.246 110.569 64.290 837 1HG1 VAL 119 1HG1 VAL 119 57.869 110.938 62.453 838 2HG1 VAL 119 2HG1 VAL 119 58.607 109.423 62.975 839 3HG1 VAL 119 3HG1 VAL 119 59.469 110.487 61.862 840 1HG2 VAL 119 1HG2 VAL 119 60.899 112.358 62.852 841 2HG2 VAL 119 2HG2 VAL 119 60.234 113.133 64.289 842 3HG2 VAL 119 3HG2 VAL 119 59.267 113.025 62.819 843 H LEU 120 H LEU 120 58.166 113.929 64.970 844 HA LEU 120 HA LEU 120 55.387 113.879 63.847 845 1HB LEU 120 1HB LEU 120 56.888 115.787 65.664 846 2HB LEU 120 2HB LEU 120 55.355 116.217 64.911 847 HG LEU 120 HG LEU 120 54.367 114.130 65.955 848 1HD1 LEU 120 1HD1 LEU 120 57.157 113.976 66.960 849 2HD1 LEU 120 2HD1 LEU 120 55.999 112.683 66.649 850 3HD1 LEU 120 3HD1 LEU 120 55.891 113.625 68.136 851 1HD2 LEU 120 1HD2 LEU 120 55.530 116.173 67.874 852 2HD2 LEU 120 2HD2 LEU 120 54.104 115.173 68.154 853 3HD2 LEU 120 3HD2 LEU 120 54.078 116.415 66.902 854 H SER 121 H SER 121 55.117 114.827 61.861 855 HA SER 121 HA SER 121 57.017 116.877 60.881 856 1HB SER 121 1HB SER 121 58.055 114.677 60.393 857 2HB SER 121 2HB SER 121 56.594 114.183 59.542 858 HG SER 121 HG SER 121 58.608 115.360 58.485 Start of MODEL 17 1 H ARG 6 1H ARG 6 55.963 86.923 81.517 2 HA ARG 6 HA ARG 6 53.039 86.586 81.851 3 1HB ARG 6 1HB ARG 6 54.971 85.440 83.152 4 2HB ARG 6 2HB ARG 6 55.132 86.981 83.994 5 1HG ARG 6 1HG ARG 6 52.761 86.864 84.671 6 2HG ARG 6 2HG ARG 6 52.599 85.321 83.832 7 1HD ARG 6 1HD ARG 6 54.508 85.858 86.139 8 2HD ARG 6 2HD ARG 6 52.984 84.954 86.252 9 HE ARG 6 HE ARG 6 55.336 84.092 84.614 10 1HH1 ARG 6 1HH2 ARG 6 53.633 83.082 87.209 11 2HH1 ARG 6 2HH2 ARG 6 53.102 81.571 86.551 12 1HH2 ARG 6 2HH1 ARG 6 54.097 82.326 83.317 13 2HH2 ARG 6 1HH1 ARG 6 53.365 81.142 84.347 14 H TYR 7 H TYR 7 55.564 89.022 82.304 15 HA TYR 7 HA TYR 7 53.449 91.021 83.045 16 1HB TYR 7 1HB TYR 7 56.362 90.769 83.851 17 2HB TYR 7 2HB TYR 7 55.320 92.119 84.299 18 HD1 TYR 7 HD1 TYR 7 52.904 91.279 85.238 19 HD2 TYR 7 HD2 TYR 7 56.594 89.091 85.444 20 HE1 TYR 7 HE1 TYR 7 52.019 89.967 87.147 21 HE2 TYR 7 HE2 TYR 7 55.710 87.780 87.353 22 HH TYR 7 HH TYR 7 53.065 87.191 88.109 23 H ARG 8 H ARG 8 53.233 91.484 80.697 24 HA ARG 8 HA ARG 8 55.286 93.425 79.746 25 1HB ARG 8 1HB ARG 8 55.392 92.251 77.560 26 2HB ARG 8 2HB ARG 8 55.989 91.238 78.873 27 1HG ARG 8 1HG ARG 8 53.797 90.126 79.007 28 2HG ARG 8 2HG ARG 8 53.207 91.120 77.677 29 1HD ARG 8 1HD ARG 8 53.893 89.246 76.479 30 2HD ARG 8 2HD ARG 8 55.423 90.144 76.499 31 HE ARG 8 HE ARG 8 55.092 88.528 78.892 32 1HH1 ARG 8 2HH1 ARG 8 54.677 86.702 76.467 33 2HH1 ARG 8 1HH1 ARG 8 56.291 86.128 76.212 34 1HH2 ARG 8 1HH2 ARG 8 57.758 88.574 78.184 35 2HH2 ARG 8 2HH2 ARG 8 58.035 87.188 77.183 36 H VAL 9 H VAL 9 54.487 94.992 78.466 37 HA VAL 9 HA VAL 9 51.711 94.929 77.380 38 HB VAL 9 HB VAL 9 52.752 96.883 79.468 39 1HG1 VAL 9 1HG1 VAL 9 50.107 97.383 79.289 40 2HG1 VAL 9 2HG1 VAL 9 50.408 96.864 77.630 41 3HG1 VAL 9 3HG1 VAL 9 51.299 98.230 78.303 42 1HG2 VAL 9 1HG2 VAL 9 50.813 94.573 79.562 43 2HG2 VAL 9 2HG2 VAL 9 50.679 95.911 80.704 44 3HG2 VAL 9 3HG2 VAL 9 52.148 94.936 80.658 45 H GLU 10 H GLU 10 51.941 95.689 75.372 46 HA GLU 10 HA GLU 10 54.094 97.702 74.719 47 1HB GLU 10 1HB GLU 10 54.130 95.443 73.628 48 2HB GLU 10 2HB GLU 10 52.510 95.760 73.005 49 1HG GLU 10 1HG GLU 10 53.353 97.751 71.813 50 2HG GLU 10 2HG GLU 10 54.974 97.435 72.430 51 H VAL 11 H VAL 11 53.518 99.644 74.068 52 HA VAL 11 HA VAL 11 50.621 100.168 73.481 53 HB VAL 11 HB VAL 11 52.752 101.944 74.726 54 1HG1 VAL 11 1HG1 VAL 11 50.637 102.849 73.337 55 2HG1 VAL 11 2HG1 VAL 11 51.211 103.653 74.796 56 3HG1 VAL 11 3HG1 VAL 11 49.835 102.552 74.879 57 1HG2 VAL 11 1HG2 VAL 11 52.241 100.480 76.452 58 2HG2 VAL 11 2HG2 VAL 11 50.622 100.152 75.835 59 3HG2 VAL 11 3HG2 VAL 11 50.955 101.668 76.673 60 H GLU 12 H GLU 12 50.179 101.274 71.570 61 HA GLU 12 HA GLU 12 52.511 102.243 69.938 62 1HB GLU 12 1HB GLU 12 51.277 101.401 67.988 63 2HB GLU 12 2HB GLU 12 51.510 100.099 69.152 64 1HG GLU 12 1HG GLU 12 49.207 100.533 70.031 65 2HG GLU 12 2HG GLU 12 48.987 101.733 68.757 66 H VAL 13 H VAL 13 52.270 104.261 69.038 67 HA VAL 13 HA VAL 13 49.646 105.682 69.422 68 HB VAL 13 HB VAL 13 52.481 106.693 69.843 69 1HG1 VAL 13 1HG1 VAL 13 50.970 108.458 69.068 70 2HG1 VAL 13 2HG1 VAL 13 51.338 108.695 70.777 71 3HG1 VAL 13 3HG1 VAL 13 49.787 108.011 70.295 72 1HG2 VAL 13 1HG2 VAL 13 50.299 105.828 71.751 73 2HG2 VAL 13 2HG2 VAL 13 51.620 106.885 72.254 74 3HG2 VAL 13 3HG2 VAL 13 51.966 105.256 71.674 75 H SER 14 H SER 14 48.972 106.926 67.740 76 HA SER 14 HA SER 14 50.789 107.137 65.365 77 1HB SER 14 1HB SER 14 48.965 105.499 65.094 78 2HB SER 14 2HB SER 14 47.783 106.728 65.536 79 HG SER 14 HG SER 14 49.477 106.631 63.263 80 HA PRO 15 HA PRO 15 49.607 111.422 66.331 81 1HB PRO 15 1HB PRO 15 51.866 112.603 65.384 82 2HB PRO 15 2HB PRO 15 51.779 111.870 66.999 83 1HG PRO 15 1HG PRO 15 52.963 110.792 64.495 84 2HG PRO 15 2HG PRO 15 53.545 110.677 66.163 85 1HD PRO 15 1HD PRO 15 52.267 108.648 64.878 86 2HD PRO 15 2HD PRO 15 52.228 108.874 66.640 87 H ARG 16 H ARG 16 49.335 113.331 64.966 88 HA ARG 16 HA ARG 16 49.535 113.050 62.037 89 1HB ARG 16 1HB ARG 16 47.065 113.258 61.760 90 2HB ARG 16 2HB ARG 16 47.508 111.763 62.580 91 1HG ARG 16 1HG ARG 16 47.022 112.810 64.758 92 2HG ARG 16 2HG ARG 16 46.576 114.308 63.942 93 1HD ARG 16 1HD ARG 16 44.756 113.125 62.753 94 2HD ARG 16 2HD ARG 16 45.198 111.621 63.588 95 HE ARG 16 HE ARG 16 44.480 114.067 65.151 96 1HH1 ARG 16 1HH2 ARG 16 42.367 112.043 64.047 97 2HH1 ARG 16 2HH2 ARG 16 42.078 111.112 65.479 98 1HH2 ARG 16 2HH1 ARG 16 44.878 112.305 67.139 99 2HH2 ARG 16 1HH1 ARG 16 43.499 111.260 67.230 100 H PHE 17 H PHE 17 49.828 115.025 61.185 101 HA PHE 17 HA PHE 17 50.180 117.369 62.744 102 1HB PHE 17 1HB PHE 17 51.139 116.838 60.504 103 2HB PHE 17 2HB PHE 17 49.550 117.114 59.790 104 HD1 PHE 17 HD1 PHE 17 52.127 118.766 61.942 105 HD2 PHE 17 HD2 PHE 17 48.922 119.281 59.130 106 HE1 PHE 17 HE1 PHE 17 52.605 121.197 61.844 107 HE2 PHE 17 HE2 PHE 17 49.401 121.713 59.034 108 HZ PHE 17 HZ PHE 17 51.241 122.671 60.391 109 H LEU 18 H LEU 18 48.801 119.023 63.329 110 HA LEU 18 HA LEU 18 45.932 118.881 62.419 111 1HB LEU 18 1HB LEU 18 46.963 118.593 64.940 112 2HB LEU 18 2HB LEU 18 46.681 120.333 64.895 113 HG LEU 18 HG LEU 18 44.340 119.887 64.131 114 1HD1 LEU 18 1HD1 LEU 18 45.350 117.072 64.368 115 2HD1 LEU 18 2HD1 LEU 18 44.310 117.784 63.135 116 3HD1 LEU 18 3HD1 LEU 18 43.656 117.403 64.727 117 1HD2 LEU 18 1HD2 LEU 18 45.332 118.737 66.745 118 2HD2 LEU 18 2HD2 LEU 18 43.612 118.840 66.369 119 3HD2 LEU 18 3HD2 LEU 18 44.585 120.309 66.461 120 H ALA 19 H ALA 19 46.653 120.146 60.578 121 HA ALA 19 HA ALA 19 47.649 122.884 60.774 122 1HB ALA 19 1HB ALA 19 47.505 121.070 58.848 123 2HB ALA 19 2HB ALA 19 47.437 122.793 58.475 124 3HB ALA 19 3HB ALA 19 45.951 121.846 58.544 125 H HIS 20 H HIS 20 44.373 121.461 60.627 126 HA HIS 20 HA HIS 20 43.016 123.960 60.199 127 1HB HIS 20 1HB HIS 20 42.152 121.624 59.788 128 2HB HIS 20 2HB HIS 20 41.992 121.433 61.534 129 HD1 HIS 20 HD1 HIS 20 40.884 123.988 58.910 130 HD2 HIS 20 HD2 HIS 20 39.487 122.183 62.399 131 HE1 HIS 20 HE1 HIS 20 38.544 124.879 59.291 132 H GLN 21 H GLN 21 44.262 122.430 63.092 133 HA GLN 21 HA GLN 21 42.987 124.603 64.726 134 1HB GLN 21 1HB GLN 21 43.734 121.732 65.347 135 2HB GLN 21 2HB GLN 21 43.265 122.889 66.593 136 1HG GLN 21 1HG GLN 21 41.110 123.254 65.448 137 2HG GLN 21 2HG GLN 21 41.575 122.094 64.203 138 1HE2 GLN 21 1HE2 GLN 21 39.335 121.951 66.258 139 2HE2 GLN 21 2HE2 GLN 21 39.596 120.488 67.078 140 H SER 22 H SER 22 45.559 124.763 63.274 141 HA SER 22 HA SER 22 47.263 125.496 65.586 142 1HB SER 22 1HB SER 22 47.704 123.099 65.015 143 2HB SER 22 2HB SER 22 48.159 123.606 63.390 144 HG SER 22 HG SER 22 49.867 124.733 64.238 145 H THR 23 H THR 23 48.690 127.182 65.068 146 HA THR 23 HA THR 23 48.691 128.114 62.219 147 HB THR 23 HB THR 23 47.315 129.551 63.664 148 HG1 THR 23 HG1 THR 23 48.270 130.804 62.235 149 1HG2 THR 23 1HG2 THR 23 48.692 128.928 65.779 150 2HG2 THR 23 2HG2 THR 23 48.067 130.566 65.646 151 3HG2 THR 23 3HG2 THR 23 49.758 130.238 65.287 152 HA PRO 24 HA PRO 24 52.975 127.090 63.343 153 1HB PRO 24 1HB PRO 24 53.897 126.873 60.781 154 2HB PRO 24 2HB PRO 24 53.059 125.556 61.625 155 1HG PRO 24 1HG PRO 24 52.003 127.493 59.629 156 2HG PRO 24 2HG PRO 24 51.694 125.756 59.793 157 1HD PRO 24 1HD PRO 24 49.950 127.641 60.641 158 2HD PRO 24 2HD PRO 24 50.111 126.053 61.421 159 H ASP 25 H ASP 25 51.715 129.616 61.247 160 HA ASP 25 HA ASP 25 54.174 130.996 60.755 161 1HB ASP 25 1HB ASP 25 51.919 131.270 59.610 162 2HB ASP 25 2HB ASP 25 51.395 132.188 61.023 163 H GLU 26 H GLU 26 52.132 130.879 63.595 164 HA GLU 26 HA GLU 26 53.613 133.191 64.786 165 1HB GLU 26 1HB GLU 26 51.054 131.724 65.465 166 2HB GLU 26 2HB GLU 26 51.748 132.969 66.504 167 1HG GLU 26 1HG GLU 26 51.647 134.584 64.641 168 2HG GLU 26 2HG GLU 26 50.948 133.341 63.601 169 H GLY 27 H GLY 27 54.526 130.223 64.483 170 1HA GLY 27 1HA GLY 27 55.903 128.822 65.770 171 2HA GLY 27 2HA GLY 27 55.863 130.046 67.039 172 H ARG 28 H ARG 28 52.951 128.649 65.691 173 HA ARG 28 HA ARG 28 52.476 127.218 68.290 174 1HB ARG 28 1HB ARG 28 51.146 129.277 67.960 175 2HB ARG 28 2HB ARG 28 50.561 128.649 66.422 176 1HG ARG 28 1HG ARG 28 48.851 128.207 68.058 177 2HG ARG 28 2HG ARG 28 49.630 126.667 67.695 178 1HD ARG 28 1HD ARG 28 51.043 126.895 69.714 179 2HD ARG 28 2HD ARG 28 50.252 128.440 70.086 180 HE ARG 28 HE ARG 28 48.734 125.864 69.887 181 1HH1 ARG 28 1HH2 ARG 28 47.799 128.918 70.124 182 2HH1 ARG 28 2HH2 ARG 28 47.202 128.874 71.750 183 1HH2 ARG 28 2HH1 ARG 28 48.649 125.808 72.481 184 2HH2 ARG 28 1HH1 ARG 28 47.683 127.113 73.084 185 H TYR 29 H TYR 29 53.174 125.144 67.467 186 HA TYR 29 HA TYR 29 51.669 124.085 65.100 187 1HB TYR 29 1HB TYR 29 54.120 123.008 66.542 188 2HB TYR 29 2HB TYR 29 53.483 122.447 64.999 189 HD1 TYR 29 HD1 TYR 29 55.185 125.235 66.730 190 HD2 TYR 29 HD2 TYR 29 53.860 123.689 62.949 191 HE1 TYR 29 HE1 TYR 29 56.538 126.948 65.556 192 HE2 TYR 29 HE2 TYR 29 55.213 125.404 61.776 193 HH TYR 29 HH TYR 29 57.495 126.810 62.579 194 H ALA 30 H ALA 30 50.098 122.551 65.505 195 HA ALA 30 HA ALA 30 50.028 121.397 68.268 196 1HB ALA 30 1HB ALA 30 48.246 123.069 67.155 197 2HB ALA 30 2HB ALA 30 47.762 121.831 68.314 198 3HB ALA 30 3HB ALA 30 47.571 121.544 66.583 199 H PHE 31 H PHE 31 50.435 119.239 68.308 200 HA PHE 31 HA PHE 31 49.700 117.564 65.925 201 1HB PHE 31 1HB PHE 31 51.867 117.359 68.040 202 2HB PHE 31 2HB PHE 31 51.509 116.056 66.910 203 HD1 PHE 31 HD1 PHE 31 52.695 119.557 67.200 204 HD2 PHE 31 HD2 PHE 31 52.176 116.173 64.608 205 HE1 PHE 31 HE1 PHE 31 54.121 120.647 65.489 206 HE2 PHE 31 HE2 PHE 31 53.598 117.264 62.896 207 HZ PHE 31 HZ PHE 31 54.573 119.502 63.337 208 H ALA 32 H ALA 32 48.142 115.956 66.340 209 HA ALA 32 HA ALA 32 47.459 115.424 69.214 210 1HB ALA 32 1HB ALA 32 45.814 115.211 66.667 211 2HB ALA 32 2HB ALA 32 45.743 116.557 67.804 212 3HB ALA 32 3HB ALA 32 45.214 114.951 68.305 213 H TYR 33 H TYR 33 47.790 113.301 69.881 214 HA TYR 33 HA TYR 33 48.124 111.253 67.712 215 1HB TYR 33 1HB TYR 33 49.949 110.299 69.094 216 2HB TYR 33 2HB TYR 33 50.279 111.958 68.605 217 HD1 TYR 33 HD1 TYR 33 49.403 109.745 71.413 218 HD2 TYR 33 HD2 TYR 33 50.238 113.784 70.220 219 HE1 TYR 33 HE1 TYR 33 49.690 110.389 73.791 220 HE2 TYR 33 HE2 TYR 33 50.522 114.425 72.595 221 HH TYR 33 HH TYR 33 50.831 112.134 75.093 222 H SER 34 H SER 34 47.341 109.151 68.191 223 HA SER 34 HA SER 34 45.473 109.004 70.517 224 1HB SER 34 1HB SER 34 45.786 107.399 67.959 225 2HB SER 34 2HB SER 34 44.545 107.101 69.172 226 HG SER 34 HG SER 34 44.915 109.339 67.490 227 H ILE 35 H ILE 35 45.770 107.468 72.106 228 HA ILE 35 HA ILE 35 48.327 105.892 72.078 229 HB ILE 35 HB ILE 35 46.379 106.722 74.247 230 1HG1 ILE 35 1HG1 ILE 35 47.580 108.626 73.234 231 2HG1 ILE 35 2HG1 ILE 35 48.157 108.329 74.871 232 1HG2 ILE 35 1HG2 ILE 35 48.595 106.153 75.605 233 2HG2 ILE 35 2HG2 ILE 35 48.877 105.073 74.239 234 3HG2 ILE 35 3HG2 ILE 35 47.420 104.896 75.216 235 1HD1 ILE 35 1HD1 ILE 35 49.890 106.764 73.527 236 2HD1 ILE 35 2HD1 ILE 35 50.200 108.470 73.833 237 3HD1 ILE 35 3HD1 ILE 35 49.560 107.957 72.274 238 H ARG 36 H ARG 36 48.274 103.743 71.943 239 HA ARG 36 HA ARG 36 45.690 102.287 72.433 240 1HB ARG 36 1HB ARG 36 47.774 102.130 70.269 241 2HB ARG 36 2HB ARG 36 46.760 100.729 70.618 242 1HG ARG 36 1HG ARG 36 44.739 102.108 70.280 243 2HG ARG 36 2HG ARG 36 45.754 103.506 69.923 244 1HD ARG 36 1HD ARG 36 46.723 102.318 67.981 245 2HD ARG 36 2HD ARG 36 45.694 100.915 68.332 246 HE ARG 36 HE ARG 36 43.724 102.335 67.895 247 1HH1 ARG 36 2HH1 ARG 36 45.086 102.471 65.304 248 2HH1 ARG 36 1HH1 ARG 36 45.234 104.173 65.019 249 1HH2 ARG 36 1HH2 ARG 36 44.658 105.046 68.324 250 2HH2 ARG 36 2HH2 ARG 36 44.991 105.631 66.729 251 H ILE 37 H ILE 37 46.198 101.559 74.502 252 HA ILE 37 HA ILE 37 48.781 100.185 75.062 253 HB ILE 37 HB ILE 37 46.348 100.838 76.756 254 1HG1 ILE 37 1HG1 ILE 37 49.039 102.232 76.679 255 2HG1 ILE 37 2HG1 ILE 37 47.640 102.797 75.764 256 1HG2 ILE 37 1HG2 ILE 37 47.895 98.949 77.518 257 2HG2 ILE 37 2HG2 ILE 37 47.702 100.288 78.650 258 3HG2 ILE 37 3HG2 ILE 37 49.158 100.172 77.662 259 1HD1 ILE 37 1HD1 ILE 37 47.626 104.020 77.822 260 2HD1 ILE 37 2HD1 ILE 37 47.910 102.558 78.767 261 3HD1 ILE 37 3HD1 ILE 37 46.358 102.802 77.965 262 H GLN 38 H GLN 38 48.893 98.021 74.596 263 HA GLN 38 HA GLN 38 46.414 96.364 74.958 264 1HB GLN 38 1HB GLN 38 47.476 94.871 73.224 265 2HB GLN 38 2HB GLN 38 47.080 96.475 72.613 266 1HG GLN 38 1HG GLN 38 49.328 97.169 72.619 267 2HG GLN 38 2HG GLN 38 49.819 95.888 73.726 268 1HE2 GLN 38 1HE2 GLN 38 50.970 96.421 71.045 269 2HE2 GLN 38 2HE2 GLN 38 50.705 95.018 70.127 270 H ASN 39 H ASN 39 46.550 94.684 76.321 271 HA ASN 39 HA ASN 39 49.011 94.407 77.917 272 1HB ASN 39 1HB ASN 39 46.729 94.639 78.908 273 2HB ASN 39 2HB ASN 39 46.288 93.092 78.185 274 1HD2 ASN 39 1HD2 ASN 39 46.363 93.624 81.070 275 2HD2 ASN 39 2HD2 ASN 39 47.541 92.598 81.731 276 H ALA 40 H ALA 40 50.516 92.876 77.343 277 HA ALA 40 HA ALA 40 49.582 90.403 75.910 278 1HB ALA 40 1HB ALA 40 52.088 92.092 75.812 279 2HB ALA 40 2HB ALA 40 51.007 91.670 74.485 280 3HB ALA 40 3HB ALA 40 52.067 90.445 75.182 281 H GLY 41 H GLY 41 50.290 91.293 78.967 282 1HA GLY 41 1HA GLY 41 52.237 89.193 79.621 283 2HA GLY 41 2HA GLY 41 51.427 90.252 80.776 284 H ALA 42 H ALA 42 51.451 87.776 81.649 285 HA ALA 42 HA ALA 42 49.086 86.303 80.662 286 1HB ALA 42 1HB ALA 42 50.801 85.479 82.980 287 2HB ALA 42 2HB ALA 42 51.483 85.438 81.354 288 3HB ALA 42 3HB ALA 42 50.058 84.472 81.737 289 H VAL 43 H VAL 43 50.187 88.161 83.417 290 HA VAL 43 HA VAL 43 47.629 87.636 84.874 291 HB VAL 43 HB VAL 43 50.298 88.859 85.689 292 1HG1 VAL 43 1HG1 VAL 43 48.023 88.023 87.501 293 2HG1 VAL 43 2HG1 VAL 43 48.260 89.686 86.964 294 3HG1 VAL 43 3HG1 VAL 43 49.492 88.892 87.946 295 1HG2 VAL 43 1HG2 VAL 43 50.598 86.519 85.348 296 2HG2 VAL 43 2HG2 VAL 43 49.037 86.138 86.075 297 3HG2 VAL 43 3HG2 VAL 43 50.365 86.707 87.086 298 HA PRO 44 HA PRO 44 45.969 91.488 83.580 299 1HB PRO 44 1HB PRO 44 44.605 92.247 85.837 300 2HB PRO 44 2HB PRO 44 44.007 91.031 84.688 301 1HG PRO 44 1HG PRO 44 45.462 90.631 87.268 302 2HG PRO 44 2HG PRO 44 44.018 89.803 86.651 303 1HD PRO 44 1HD PRO 44 46.403 88.649 86.488 304 2HD PRO 44 2HD PRO 44 45.236 88.505 85.160 305 H ALA 45 H ALA 45 46.605 93.618 83.666 306 HA ALA 45 HA ALA 45 48.260 94.567 85.983 307 1HB ALA 45 1HB ALA 45 48.956 94.179 83.102 308 2HB ALA 45 2HB ALA 45 49.950 93.935 84.538 309 3HB ALA 45 3HB ALA 45 49.649 95.567 83.941 310 H ARG 46 H ARG 46 48.245 96.827 86.247 311 HA ARG 46 HA ARG 46 46.337 98.363 84.512 312 1HB ARG 46 1HB ARG 46 45.605 99.466 86.619 313 2HB ARG 46 2HB ARG 46 45.348 97.723 86.677 314 1HG ARG 46 1HG ARG 46 47.309 97.397 88.034 315 2HG ARG 46 2HG ARG 46 47.813 99.072 87.807 316 1HD ARG 46 1HD ARG 46 45.963 99.896 89.113 317 2HD ARG 46 2HD ARG 46 45.203 98.292 89.150 318 HE ARG 46 HE ARG 46 47.687 99.046 90.607 319 1HH1 ARG 46 2HH1 ARG 46 45.387 98.126 92.174 320 2HH1 ARG 46 1HH1 ARG 46 45.699 96.436 92.388 321 1HH2 ARG 46 1HH2 ARG 46 48.039 96.273 89.835 322 2HH2 ARG 46 2HH2 ARG 46 47.200 95.387 91.065 323 H LEU 47 H LEU 47 46.803 100.715 84.460 324 HA LEU 47 HA LEU 47 49.726 101.253 84.691 325 1HB LEU 47 1HB LEU 47 48.336 101.610 82.587 326 2HB LEU 47 2HB LEU 47 47.517 102.915 83.445 327 HG LEU 47 HG LEU 47 50.525 102.843 83.273 328 1HD1 LEU 47 1HD1 LEU 47 50.130 102.862 80.988 329 2HD1 LEU 47 2HD1 LEU 47 49.985 104.584 81.339 330 3HD1 LEU 47 3HD1 LEU 47 48.536 103.594 81.165 331 1HD2 LEU 47 1HD2 LEU 47 49.831 104.491 84.789 332 2HD2 LEU 47 2HD2 LEU 47 48.371 104.858 83.871 333 3HD2 LEU 47 3HD2 LEU 47 49.942 105.406 83.285 334 H VAL 48 H VAL 48 50.347 102.198 86.595 335 HA VAL 48 HA VAL 48 48.388 103.836 88.121 336 HB VAL 48 HB VAL 48 51.137 102.730 88.800 337 1HG1 VAL 48 1HG1 VAL 48 50.542 103.273 91.123 338 2HG1 VAL 48 2HG1 VAL 48 49.003 103.947 90.584 339 3HG1 VAL 48 3HG1 VAL 48 50.516 104.731 90.132 340 1HG2 VAL 48 1HG2 VAL 48 48.394 101.790 89.690 341 2HG2 VAL 48 2HG2 VAL 48 49.943 101.017 90.028 342 3HG2 VAL 48 3HG2 VAL 48 49.310 101.041 88.383 343 H ALA 49 H ALA 49 51.409 104.125 86.321 344 HA ALA 49 HA ALA 49 51.257 107.077 86.752 345 1HB ALA 49 1HB ALA 49 53.031 106.869 88.135 346 2HB ALA 49 2HB ALA 49 53.986 106.465 86.709 347 3HB ALA 49 3HB ALA 49 53.266 105.182 87.682 348 H ARG 50 H ARG 50 52.559 108.293 85.178 349 HA ARG 50 HA ARG 50 53.247 106.902 82.608 350 1HB ARG 50 1HB ARG 50 51.818 108.480 81.407 351 2HB ARG 50 2HB ARG 50 50.851 107.601 82.590 352 1HG ARG 50 1HG ARG 50 51.274 109.565 84.176 353 2HG ARG 50 2HG ARG 50 51.882 110.440 82.772 354 1HD ARG 50 1HD ARG 50 49.681 109.923 81.614 355 2HD ARG 50 2HD ARG 50 49.089 109.326 83.177 356 HE ARG 50 HE ARG 50 49.749 111.629 84.083 357 1HH1 ARG 50 2HH1 ARG 50 50.817 112.292 81.218 358 2HH1 ARG 50 1HH1 ARG 50 49.575 113.377 80.687 359 1HH2 ARG 50 1HH2 ARG 50 47.364 112.502 83.211 360 2HH2 ARG 50 2HH2 ARG 50 47.621 113.496 81.816 361 H HIS 51 H HIS 51 54.942 107.842 81.570 362 HA HIS 51 HA HIS 51 55.837 110.568 82.364 363 1HB HIS 51 1HB HIS 51 56.917 108.928 83.873 364 2HB HIS 51 2HB HIS 51 57.522 108.047 82.471 365 HD1 HIS 51 HD1 HIS 51 59.967 108.615 83.447 366 HD2 HIS 51 HD2 HIS 51 57.770 111.890 82.100 367 HE1 HIS 51 HE1 HIS 51 61.616 110.515 83.164 368 H TRP 52 H TRP 52 55.922 111.591 80.434 369 HA TRP 52 HA TRP 52 56.756 110.114 77.967 370 1HB TRP 52 1HB TRP 52 55.225 112.609 78.662 371 2HB TRP 52 2HB TRP 52 55.911 112.428 77.049 372 HD1 TRP 52 HD1 TRP 52 52.968 111.495 79.076 373 HE1 TRP 52 HE1 TRP 52 51.510 109.784 77.810 374 HE3 TRP 52 HE3 TRP 52 56.189 110.191 75.335 375 HZ2 TRP 52 HZ2 TRP 52 51.691 108.089 75.509 376 HZ3 TRP 52 HZ3 TRP 52 55.521 108.527 73.623 377 HH2 TRP 52 HH2 TRP 52 53.278 107.476 73.706 378 H GLN 53 H GLN 53 58.661 110.603 76.953 379 HA GLN 53 HA GLN 53 60.327 112.854 78.042 380 1HB GLN 53 1HB GLN 53 60.783 110.021 77.318 381 2HB GLN 53 2HB GLN 53 62.044 111.133 76.786 382 1HG GLN 53 1HG GLN 53 61.051 111.474 79.572 383 2HG GLN 53 2HG GLN 53 62.034 110.045 79.247 384 1HE2 GLN 53 1HE2 GLN 53 64.265 110.372 79.301 385 2HE2 GLN 53 2HE2 GLN 53 65.029 111.883 79.169 386 H ILE 54 H ILE 54 59.128 114.226 76.358 387 HA ILE 54 HA ILE 54 59.658 113.617 73.523 388 HB ILE 54 HB ILE 54 58.211 115.500 73.122 389 1HG1 ILE 54 1HG1 ILE 54 58.315 116.118 76.088 390 2HG1 ILE 54 2HG1 ILE 54 59.217 117.009 74.866 391 1HG2 ILE 54 1HG2 ILE 54 57.111 113.434 73.868 392 2HG2 ILE 54 2HG2 ILE 54 56.222 114.852 74.422 393 3HG2 ILE 54 3HG2 ILE 54 57.246 113.960 75.546 394 1HD1 ILE 54 1HD1 ILE 54 57.184 118.227 75.261 395 2HD1 ILE 54 2HD1 ILE 54 56.214 116.764 75.097 396 3HD1 ILE 54 3HD1 ILE 54 57.028 117.445 73.688 397 H THR 55 H THR 55 61.280 114.438 72.321 398 HA THR 55 HA THR 55 62.918 116.696 73.435 399 HB THR 55 HB THR 55 63.736 114.321 71.701 400 HG1 THR 55 HG1 THR 55 63.932 113.377 73.546 401 1HG2 THR 55 1HG2 THR 55 65.427 115.709 71.117 402 2HG2 THR 55 2HG2 THR 55 66.036 115.415 72.745 403 3HG2 THR 55 3HG2 THR 55 65.064 116.849 72.414 404 H ASP 56 H ASP 56 63.096 118.452 72.161 405 HA ASP 56 HA ASP 56 61.603 118.442 69.639 406 1HB ASP 56 1HB ASP 56 61.500 120.195 71.487 407 2HB ASP 56 2HB ASP 56 63.102 120.715 70.964 408 H GLY 57 H GLY 57 62.598 119.685 67.759 409 1HA GLY 57 1HA GLY 57 64.924 118.364 66.804 410 2HA GLY 57 2HA GLY 57 64.197 119.783 66.061 411 H ASN 58 H ASN 58 64.829 120.948 69.058 412 HA ASN 58 HA ASN 58 67.522 121.908 68.203 413 1HB ASN 58 1HB ASN 58 65.394 122.958 70.095 414 2HB ASN 58 2HB ASN 58 66.987 123.701 69.944 415 1HD2 ASN 58 1HD2 ASN 58 64.421 124.961 69.193 416 2HD2 ASN 58 2HD2 ASN 58 64.509 125.279 67.528 417 H GLY 59 H GLY 59 66.464 119.425 69.987 418 1HA GLY 59 1HA GLY 59 67.883 118.080 71.377 419 2HA GLY 59 2HA GLY 59 68.857 119.507 71.721 420 H ARG 60 H ARG 60 66.316 121.068 72.353 421 HA ARG 60 HA ARG 60 66.307 120.680 75.191 422 1HB ARG 60 1HB ARG 60 64.961 122.288 73.147 423 2HB ARG 60 2HB ARG 60 63.881 121.894 74.481 424 1HG ARG 60 1HG ARG 60 64.844 123.564 75.649 425 2HG ARG 60 2HG ARG 60 66.308 122.587 75.720 426 1HD ARG 60 1HD ARG 60 66.807 124.823 74.785 427 2HD ARG 60 2HD ARG 60 67.032 123.582 73.536 428 HE ARG 60 HE ARG 60 64.423 124.207 73.155 429 1HH1 ARG 60 2HH1 ARG 60 66.474 125.330 71.298 430 2HH1 ARG 60 1HH1 ARG 60 66.197 127.035 71.431 431 1HH2 ARG 60 1HH2 ARG 60 64.367 126.777 74.364 432 2HH2 ARG 60 2HH2 ARG 60 65.004 127.854 73.166 433 H THR 61 H THR 61 64.939 119.447 76.525 434 HA THR 61 HA THR 61 62.915 117.744 75.122 435 HB THR 61 HB THR 61 63.664 115.904 76.605 436 HG1 THR 61 HG1 THR 61 64.367 117.047 78.364 437 1HG2 THR 61 1HG2 THR 61 65.388 115.359 75.229 438 2HG2 THR 61 2HG2 THR 61 66.275 116.838 75.598 439 3HG2 THR 61 3HG2 THR 61 64.977 116.864 74.406 440 H GLU 62 H GLU 62 60.996 117.304 76.341 441 HA GLU 62 HA GLU 62 60.727 118.820 78.918 442 1HB GLU 62 1HB GLU 62 59.564 119.762 76.897 443 2HB GLU 62 2HB GLU 62 58.643 118.261 76.781 444 1HG GLU 62 1HG GLU 62 57.308 119.904 77.981 445 2HG GLU 62 2HG GLU 62 57.813 118.647 79.111 446 H GLN 63 H GLN 63 60.419 117.434 80.592 447 HA GLN 63 HA GLN 63 59.319 114.697 80.080 448 1HB GLN 63 1HB GLN 63 60.922 116.006 82.289 449 2HB GLN 63 2HB GLN 63 60.313 114.353 82.387 450 1HG GLN 63 1HG GLN 63 61.536 113.776 80.324 451 2HG GLN 63 2HG GLN 63 62.149 115.427 80.225 452 1HE2 GLN 63 1HE2 GLN 63 62.909 112.343 81.392 453 2HE2 GLN 63 2HE2 GLN 63 64.093 112.786 82.525 454 H VAL 64 H VAL 64 57.358 114.120 80.940 455 HA VAL 64 HA VAL 64 56.079 115.961 82.938 456 HB VAL 64 HB VAL 64 54.835 114.520 80.565 457 1HG1 VAL 64 1HG1 VAL 64 53.217 114.671 82.351 458 2HG1 VAL 64 2HG1 VAL 64 52.833 115.936 81.183 459 3HG1 VAL 64 3HG1 VAL 64 53.665 116.344 82.685 460 1HG2 VAL 64 1HG2 VAL 64 55.424 117.452 81.084 461 2HG2 VAL 64 2HG2 VAL 64 54.470 116.851 79.728 462 3HG2 VAL 64 3HG2 VAL 64 56.179 116.433 79.859 463 H ASP 65 H ASP 65 55.365 114.950 84.724 464 HA ASP 65 HA ASP 65 55.080 111.956 84.697 465 1HB ASP 65 1HB ASP 65 56.022 112.062 86.992 466 2HB ASP 65 2HB ASP 65 57.135 112.735 85.804 467 H GLY 66 H GLY 66 53.080 111.273 85.342 468 1HA GLY 66 1HA GLY 66 51.566 112.778 87.368 469 2HA GLY 66 2HA GLY 66 50.807 112.678 85.777 470 H GLU 67 H GLU 67 49.454 111.506 87.849 471 HA GLU 67 HA GLU 67 50.043 108.576 87.615 472 1HB GLU 67 1HB GLU 67 48.602 110.288 89.660 473 2HB GLU 67 2HB GLU 67 48.584 108.525 89.704 474 1HG GLU 67 1HG GLU 67 51.049 108.498 89.816 475 2HG GLU 67 2HG GLU 67 51.070 110.261 89.777 476 H GLY 68 H GLY 68 48.094 107.163 87.394 477 1HA GLY 68 1HA GLY 68 46.175 106.555 86.199 478 2HA GLY 68 2HA GLY 68 45.458 107.953 86.994 479 H VAL 69 H VAL 69 46.860 106.758 84.011 480 HA VAL 69 HA VAL 69 47.283 108.991 82.406 481 HB VAL 69 HB VAL 69 46.394 107.525 80.562 482 1HG1 VAL 69 1HG1 VAL 69 48.366 106.626 82.627 483 2HG1 VAL 69 2HG1 VAL 69 48.637 107.112 80.953 484 3HG1 VAL 69 3HG1 VAL 69 47.961 105.524 81.311 485 1HG2 VAL 69 1HG2 VAL 69 44.777 106.468 82.513 486 2HG2 VAL 69 2HG2 VAL 69 46.037 105.242 82.404 487 3HG2 VAL 69 3HG2 VAL 69 45.113 105.687 80.970 488 H VAL 70 H VAL 70 46.176 110.613 81.643 489 HA VAL 70 HA VAL 70 44.470 112.196 81.523 490 HB VAL 70 HB VAL 70 42.745 111.490 79.945 491 1HG1 VAL 70 1HG1 VAL 70 45.412 111.369 79.466 492 2HG1 VAL 70 2HG1 VAL 70 44.183 111.121 78.226 493 3HG1 VAL 70 3HG1 VAL 70 44.935 109.733 79.011 494 1HG2 VAL 70 1HG2 VAL 70 42.182 109.362 81.172 495 2HG2 VAL 70 2HG2 VAL 70 43.616 108.633 80.452 496 3HG2 VAL 70 3HG2 VAL 70 42.294 109.182 79.424 497 H GLY 71 H GLY 71 44.537 111.023 84.078 498 1HA GLY 71 1HA GLY 71 43.226 111.374 86.006 499 2HA GLY 71 2HA GLY 71 41.844 111.704 84.974 500 H GLU 72 H GLU 72 43.497 108.700 84.362 501 HA GLU 72 HA GLU 72 41.649 107.243 86.184 502 1HB GLU 72 1HB GLU 72 40.758 105.911 84.297 503 2HB GLU 72 2HB GLU 72 40.381 107.625 84.136 504 1HG GLU 72 1HG GLU 72 41.976 107.940 82.449 505 2HG GLU 72 2HG GLU 72 42.846 106.466 82.862 506 H GLN 73 H GLN 73 42.159 105.083 86.544 507 HA GLN 73 HA GLN 73 44.921 104.183 85.741 508 1HB GLN 73 1HB GLN 73 43.237 103.876 88.245 509 2HB GLN 73 2HB GLN 73 44.729 102.978 87.968 510 1HG GLN 73 1HG GLN 73 46.017 105.018 87.846 511 2HG GLN 73 2HG GLN 73 44.553 106.001 87.878 512 1HE2 GLN 73 1HE2 GLN 73 46.615 103.885 89.870 513 2HE2 GLN 73 2HE2 GLN 73 45.991 104.402 91.362 514 HA PRO 74 HA PRO 74 41.521 101.435 83.992 515 1HB PRO 74 1HB PRO 74 42.953 100.665 81.796 516 2HB PRO 74 2HB PRO 74 41.930 102.116 81.833 517 1HG PRO 74 1HG PRO 74 44.881 101.875 82.149 518 2HG PRO 74 2HG PRO 74 43.935 103.081 81.261 519 1HD PRO 74 1HD PRO 74 44.999 103.569 83.696 520 2HD PRO 74 2HD PRO 74 43.484 104.314 83.142 521 H TRP 75 H TRP 75 41.441 99.242 84.325 522 HA TRP 75 HA TRP 75 43.896 97.882 85.344 523 1HB TRP 75 1HB TRP 75 41.394 98.137 86.366 524 2HB TRP 75 2HB TRP 75 41.188 96.645 85.449 525 HD1 TRP 75 HD1 TRP 75 43.479 98.154 88.158 526 HE1 TRP 75 HE1 TRP 75 44.396 96.228 89.606 527 HE3 TRP 75 HE3 TRP 75 41.561 94.156 85.625 528 HZ2 TRP 75 HZ2 TRP 75 44.324 93.369 89.681 529 HZ3 TRP 75 HZ3 TRP 75 42.000 91.845 86.407 530 HH2 TRP 75 HH2 TRP 75 43.377 91.447 88.429 531 H LEU 76 H LEU 76 44.612 97.724 83.001 532 HA LEU 76 HA LEU 76 43.170 96.331 80.990 533 1HB LEU 76 1HB LEU 76 45.989 97.064 81.592 534 2HB LEU 76 2HB LEU 76 45.740 95.829 80.357 535 HG LEU 76 HG LEU 76 44.378 98.539 80.376 536 1HD1 LEU 76 1HD1 LEU 76 45.974 99.293 78.849 537 2HD1 LEU 76 2HD1 LEU 76 46.456 97.659 78.396 538 3HD1 LEU 76 3HD1 LEU 76 46.963 98.330 79.946 539 1HD2 LEU 76 1HD2 LEU 76 42.967 97.256 79.073 540 2HD2 LEU 76 2HD2 LEU 76 44.229 96.090 78.672 541 3HD2 LEU 76 3HD2 LEU 76 44.176 97.650 77.852 542 H ARG 77 H ARG 77 42.462 94.272 81.039 543 HA ARG 77 HA ARG 77 43.724 92.237 82.767 544 1HB ARG 77 1HB ARG 77 41.295 92.468 80.985 545 2HB ARG 77 2HB ARG 77 41.795 90.896 81.608 546 1HG ARG 77 1HG ARG 77 40.475 91.480 83.379 547 2HG ARG 77 2HG ARG 77 41.913 92.365 83.888 548 1HD ARG 77 1HD ARG 77 40.602 94.225 83.873 549 2HD ARG 77 2HD ARG 77 40.635 94.114 82.103 550 HE ARG 77 HE ARG 77 38.507 92.988 82.164 551 1HH1 ARG 77 1HH2 ARG 77 37.749 95.092 84.071 552 2HH1 ARG 77 2HH2 ARG 77 37.175 94.198 85.439 553 1HH2 ARG 77 2HH1 ARG 77 38.652 91.221 84.449 554 2HH2 ARG 77 1HH1 ARG 77 37.686 92.007 85.653 555 HA PRO 78 HA PRO 78 46.351 90.501 79.706 556 1HB PRO 78 1HB PRO 78 45.760 87.823 79.690 557 2HB PRO 78 2HB PRO 78 46.733 88.592 80.961 558 1HG PRO 78 1HG PRO 78 43.848 87.851 80.976 559 2HG PRO 78 2HG PRO 78 45.061 87.687 82.257 560 1HD PRO 78 1HD PRO 78 43.235 89.678 82.233 561 2HD PRO 78 2HD PRO 78 44.864 89.880 82.913 562 H GLY 79 H GLY 79 46.124 90.662 77.564 563 1HA GLY 79 1HA GLY 79 45.274 90.125 75.393 564 2HA GLY 79 2HA GLY 79 43.897 89.334 76.155 565 H GLU 80 H GLU 80 43.715 91.998 77.856 566 HA GLU 80 HA GLU 80 41.815 93.296 76.009 567 1HB GLU 80 1HB GLU 80 41.727 92.749 78.624 568 2HB GLU 80 2HB GLU 80 42.505 94.329 78.735 569 1HG GLU 80 1HG GLU 80 40.094 94.635 78.868 570 2HG GLU 80 2HG GLU 80 40.664 95.277 77.328 571 H ALA 81 H ALA 81 41.869 95.719 75.807 572 HA ALA 81 HA ALA 81 44.578 96.927 76.039 573 1HB ALA 81 1HB ALA 81 44.390 97.631 73.645 574 2HB ALA 81 2HB ALA 81 42.906 96.688 73.514 575 3HB ALA 81 3HB ALA 81 44.441 95.877 73.825 576 H PHE 82 H PHE 82 44.493 99.248 76.130 577 HA PHE 82 HA PHE 82 41.737 100.413 76.383 578 1HB PHE 82 1HB PHE 82 42.944 100.156 78.525 579 2HB PHE 82 2HB PHE 82 44.313 101.052 77.867 580 HD1 PHE 82 HD1 PHE 82 44.181 103.467 77.484 581 HD2 PHE 82 HD2 PHE 82 40.845 101.281 79.079 582 HE1 PHE 82 HE1 PHE 82 43.095 105.598 78.139 583 HE2 PHE 82 HE2 PHE 82 39.761 103.412 79.735 584 HZ PHE 82 HZ PHE 82 40.886 105.571 79.263 585 H HIS 83 H HIS 83 41.486 102.548 75.425 586 HA HIS 83 HA HIS 83 43.871 103.672 74.031 587 1HB HIS 83 1HB HIS 83 42.537 103.795 71.938 588 2HB HIS 83 2HB HIS 83 42.747 102.132 72.482 589 HD1 HIS 83 HD1 HIS 83 40.163 104.870 72.257 590 HD2 HIS 83 HD2 HIS 83 40.360 100.833 73.277 591 HE1 HIS 83 HE1 HIS 83 37.770 104.064 72.461 592 H TYR 84 H TYR 84 43.847 105.905 73.909 593 HA TYR 84 HA TYR 84 41.340 107.405 74.319 594 1HB TYR 84 1HB TYR 84 42.187 108.559 76.304 595 2HB TYR 84 2HB TYR 84 42.200 106.822 76.589 596 HD1 TYR 84 HD1 TYR 84 44.239 109.829 76.134 597 HD2 TYR 84 HD2 TYR 84 44.327 105.559 76.579 598 HE1 TYR 84 HE1 TYR 84 46.660 109.933 76.658 599 HE2 TYR 84 HE2 TYR 84 46.748 105.662 77.101 600 HH TYR 84 HH TYR 84 48.328 108.478 77.931 601 H THR 85 H THR 85 41.684 109.751 73.874 602 HA THR 85 HA THR 85 43.920 110.136 71.932 603 HB THR 85 HB THR 85 41.360 111.693 72.411 604 HG1 THR 85 HG1 THR 85 40.492 110.091 71.404 605 1HG2 THR 85 1HG2 THR 85 43.334 111.703 70.110 606 2HG2 THR 85 2HG2 THR 85 43.111 112.999 71.284 607 3HG2 THR 85 3HG2 THR 85 41.816 112.599 70.156 608 H SER 86 H SER 86 45.468 111.705 72.251 609 HA SER 86 HA SER 86 45.172 113.477 74.654 610 1HB SER 86 1HB SER 86 46.782 111.780 75.105 611 2HB SER 86 2HB SER 86 47.513 111.952 73.510 612 HG SER 86 HG SER 86 48.059 113.270 75.778 613 H GLY 87 H GLY 87 46.604 115.538 74.395 614 1HA GLY 87 1HA GLY 87 47.164 116.244 71.567 615 2HA GLY 87 2HA GLY 87 46.042 117.269 72.459 616 H VAL 88 H VAL 88 49.122 117.173 71.474 617 HA VAL 88 HA VAL 88 50.098 118.805 73.801 618 HB VAL 88 HB VAL 88 52.323 117.754 73.405 619 1HG1 VAL 88 1HG1 VAL 88 51.028 116.764 75.143 620 2HG1 VAL 88 2HG1 VAL 88 51.623 115.417 74.175 621 3HG1 VAL 88 3HG1 VAL 88 49.958 115.965 73.992 622 1HG2 VAL 88 1HG2 VAL 88 52.411 115.719 71.967 623 2HG2 VAL 88 2HG2 VAL 88 52.044 117.172 71.037 624 3HG2 VAL 88 3HG2 VAL 88 50.757 116.039 71.448 625 H LEU 89 H LEU 89 51.587 120.497 73.203 626 HA LEU 89 HA LEU 89 51.345 121.304 70.334 627 1HB LEU 89 1HB LEU 89 50.362 122.681 72.227 628 2HB LEU 89 2HB LEU 89 52.015 122.985 72.765 629 HG LEU 89 HG LEU 89 52.403 123.729 70.282 630 1HD1 LEU 89 1HD1 LEU 89 50.170 122.942 69.515 631 2HD1 LEU 89 2HD1 LEU 89 50.399 124.666 69.228 632 3HD1 LEU 89 3HD1 LEU 89 49.410 124.121 70.582 633 1HD2 LEU 89 1HD2 LEU 89 52.076 125.075 72.588 634 2HD2 LEU 89 2HD2 LEU 89 50.654 125.665 71.727 635 3HD2 LEU 89 3HD2 LEU 89 52.262 125.901 71.041 636 H LEU 90 H LEU 90 53.215 121.897 69.187 637 HA LEU 90 HA LEU 90 55.834 121.437 70.580 638 1HB LEU 90 1HB LEU 90 54.823 120.739 67.816 639 2HB LEU 90 2HB LEU 90 56.538 120.695 68.226 640 HG LEU 90 HG LEU 90 54.388 119.187 69.739 641 1HD1 LEU 90 1HD1 LEU 90 55.990 118.532 67.326 642 2HD1 LEU 90 2HD1 LEU 90 54.432 117.893 67.852 643 3HD1 LEU 90 3HD1 LEU 90 55.923 117.281 68.566 644 1HD2 LEU 90 1HD2 LEU 90 57.387 119.415 69.922 645 2HD2 LEU 90 2HD2 LEU 90 56.580 117.937 70.450 646 3HD2 LEU 90 3HD2 LEU 90 56.190 119.477 71.217 647 H GLU 91 H GLU 91 57.527 122.932 70.069 648 HA GLU 91 HA GLU 91 56.697 125.560 69.134 649 1HB GLU 91 1HB GLU 91 58.343 125.118 70.943 650 2HB GLU 91 2HB GLU 91 59.427 124.390 69.758 651 1HG GLU 91 1HG GLU 91 59.511 126.525 68.519 652 2HG GLU 91 2HG GLU 91 58.430 127.255 69.704 653 H THR 92 H THR 92 58.264 122.769 67.670 654 HA THR 92 HA THR 92 58.607 124.361 65.148 655 HB THR 92 HB THR 92 60.584 122.905 64.736 656 HG1 THR 92 HG1 THR 92 60.391 121.095 65.807 657 1HG2 THR 92 1HG2 THR 92 60.621 124.223 67.465 658 2HG2 THR 92 2HG2 THR 92 60.845 125.064 65.932 659 3HG2 THR 92 3HG2 THR 92 62.028 123.870 66.463 660 H GLU 93 H GLU 93 58.706 122.821 63.181 661 HA GLU 93 HA GLU 93 56.315 121.107 63.241 662 1HB GLU 93 1HB GLU 93 58.270 121.941 61.080 663 2HB GLU 93 2HB GLU 93 56.773 121.057 60.785 664 1HG GLU 93 1HG GLU 93 55.481 122.905 61.783 665 2HG GLU 93 2HG GLU 93 56.978 123.792 62.074 666 H GLN 94 H GLN 94 59.312 120.367 64.283 667 HA GLN 94 HA GLN 94 59.112 117.595 63.220 668 1HB GLN 94 1HB GLN 94 61.582 117.638 62.847 669 2HB GLN 94 2HB GLN 94 60.732 118.819 61.851 670 1HG GLN 94 1HG GLN 94 61.227 120.543 63.640 671 2HG GLN 94 2HG GLN 94 62.268 119.344 64.409 672 1HE2 GLN 94 1HE2 GLN 94 64.327 120.262 63.957 673 2HE2 GLN 94 2HE2 GLN 94 64.902 120.536 62.384 674 H GLY 95 H GLY 95 59.895 115.990 64.773 675 1HA GLY 95 1HA GLY 95 61.471 116.576 67.050 676 2HA GLY 95 2HA GLY 95 59.794 116.799 67.529 677 H GLN 96 H GLN 96 61.474 114.913 68.676 678 HA GLN 96 HA GLN 96 60.338 112.283 67.736 679 1HB GLN 96 1HB GLN 96 62.904 112.910 69.238 680 2HB GLN 96 2HB GLN 96 62.397 111.318 68.675 681 1HG GLN 96 1HG GLN 96 62.359 112.288 66.324 682 2HG GLN 96 2HG GLN 96 63.156 113.714 66.992 683 1HE2 GLN 96 1HE2 GLN 96 64.240 111.627 65.074 684 2HE2 GLN 96 2HE2 GLN 96 65.648 111.042 65.818 685 H MET 97 H MET 97 58.974 111.332 69.246 686 HA MET 97 HA MET 97 59.193 112.266 72.093 687 1HB MET 97 1HB MET 97 56.795 111.618 70.357 688 2HB MET 97 2HB MET 97 56.692 111.943 72.087 689 1HG MET 97 1HG MET 97 57.585 114.174 71.783 690 2HG MET 97 2HG MET 97 57.911 113.858 70.079 691 1HE MET 97 1HE MET 97 53.818 113.850 72.088 692 2HE MET 97 2HE MET 97 55.001 115.026 72.655 693 3HE MET 97 3HE MET 97 55.382 113.308 72.712 694 H GLN 98 H GLN 98 59.904 110.564 73.343 695 HA GLN 98 HA GLN 98 58.788 107.822 72.827 696 1HB GLN 98 1HB GLN 98 61.185 108.195 72.098 697 2HB GLN 98 2HB GLN 98 61.570 108.600 73.770 698 1HG GLN 98 1HG GLN 98 60.780 106.378 74.496 699 2HG GLN 98 2HG GLN 98 60.399 105.967 72.824 700 1HE2 GLN 98 1HE2 GLN 98 61.992 104.461 72.237 701 2HE2 GLN 98 2HE2 GLN 98 63.660 104.704 72.434 702 H GLY 99 H GLY 99 58.334 106.663 74.838 703 1HA GLY 99 1HA GLY 99 59.084 107.851 77.396 704 2HA GLY 99 2HA GLY 99 57.388 108.127 77.012 705 H HIS 100 H HIS 100 57.532 106.762 79.181 706 HA HIS 100 HA HIS 100 56.944 103.955 78.381 707 1HB HIS 100 1HB HIS 100 58.248 103.175 80.354 708 2HB HIS 100 2HB HIS 100 59.253 104.013 79.175 709 HD1 HIS 100 HD1 HIS 100 60.603 105.931 80.037 710 HD2 HIS 100 HD2 HIS 100 57.471 104.967 82.615 711 HE1 HIS 100 HE1 HIS 100 60.903 107.371 82.097 712 H TYR 101 H TYR 101 55.563 102.839 79.927 713 HA TYR 101 HA TYR 101 53.956 104.707 81.630 714 1HB TYR 101 1HB TYR 101 53.314 102.354 79.864 715 2HB TYR 101 2HB TYR 101 52.220 102.770 81.176 716 HD1 TYR 101 HD1 TYR 101 52.388 105.758 81.173 717 HD2 TYR 101 HD2 TYR 101 52.171 102.959 77.916 718 HE1 TYR 101 HE1 TYR 101 51.362 107.498 79.742 719 HE2 TYR 101 HE2 TYR 101 51.144 104.707 76.489 720 HH TYR 101 HH TYR 101 49.658 107.097 77.301 721 H ASP 102 H ASP 102 53.946 104.173 83.866 722 HA ASP 102 HA ASP 102 55.302 101.699 84.738 723 1HB ASP 102 1HB ASP 102 55.522 104.000 85.812 724 2HB ASP 102 2HB ASP 102 53.843 103.841 86.325 725 H MET 103 H MET 103 54.271 99.859 84.996 726 HA MET 103 HA MET 103 51.291 99.855 85.445 727 1HB MET 103 1HB MET 103 53.096 97.940 83.936 728 2HB MET 103 2HB MET 103 51.352 97.761 84.124 729 1HG MET 103 1HG MET 103 51.223 100.149 83.100 730 2HG MET 103 2HG MET 103 52.874 99.840 82.563 731 1HE MET 103 1HE MET 103 49.544 97.334 82.686 732 2HE MET 103 2HE MET 103 48.935 98.124 81.234 733 3HE MET 103 3HE MET 103 49.342 99.092 82.650 734 H VAL 104 H VAL 104 50.528 97.948 86.667 735 HA VAL 104 HA VAL 104 52.601 96.587 88.330 736 HB VAL 104 HB VAL 104 51.103 97.104 90.330 737 1HG1 VAL 104 1HG1 VAL 104 52.069 99.332 90.642 738 2HG1 VAL 104 2HG1 VAL 104 52.393 99.450 88.912 739 3HG1 VAL 104 3HG1 VAL 104 53.245 98.254 89.889 740 1HG2 VAL 104 1HG2 VAL 104 49.094 97.769 89.037 741 2HG2 VAL 104 2HG2 VAL 104 49.971 99.158 88.399 742 3HG2 VAL 104 3HG2 VAL 104 49.616 99.057 90.123 743 H ALA 105 H ALA 105 52.107 94.424 88.492 744 HA ALA 105 HA ALA 105 49.660 93.313 87.344 745 1HB ALA 105 1HB ALA 105 51.927 92.247 87.337 746 2HB ALA 105 2HB ALA 105 50.693 91.203 88.041 747 3HB ALA 105 3HB ALA 105 51.815 92.072 89.087 748 H ASP 106 H ASP 106 48.254 91.804 88.679 749 HA ASP 106 HA ASP 106 47.085 93.206 90.896 750 1HB ASP 106 1HB ASP 106 45.720 91.159 91.085 751 2HB ASP 106 2HB ASP 106 45.916 91.614 89.394 752 H ASP 107 H ASP 107 49.592 90.742 90.703 753 HA ASP 107 HA ASP 107 49.559 89.990 93.499 754 1HB ASP 107 1HB ASP 107 51.571 89.781 91.247 755 2HB ASP 107 2HB ASP 107 51.833 89.059 92.835 756 H GLY 108 H GLY 108 50.689 92.824 91.896 757 1HA GLY 108 1HA GLY 108 51.426 94.725 93.241 758 2HA GLY 108 2HA GLY 108 52.171 93.589 94.364 759 H THR 109 H THR 109 52.982 92.264 91.496 760 HA THR 109 HA THR 109 55.725 92.961 91.588 761 HB THR 109 HB THR 109 54.027 92.067 89.232 762 HG1 THR 109 HG1 THR 109 53.789 90.389 90.455 763 1HG2 THR 109 1HG2 THR 109 56.986 91.725 89.800 764 2HG2 THR 109 2HG2 THR 109 56.295 92.815 88.597 765 3HG2 THR 109 3HG2 THR 109 56.121 91.071 88.409 766 H GLU 110 H GLU 110 56.869 94.718 90.733 767 HA GLU 110 HA GLU 110 55.269 96.820 89.356 768 1HB GLU 110 1HB GLU 110 56.506 97.339 91.445 769 2HB GLU 110 2HB GLU 110 58.013 96.873 90.654 770 1HG GLU 110 1HG GLU 110 57.680 98.646 88.968 771 2HG GLU 110 2HG GLU 110 56.175 99.115 89.757 772 H PHE 111 H PHE 111 55.784 97.522 87.302 773 HA PHE 111 HA PHE 111 58.308 96.954 85.974 774 1HB PHE 111 1HB PHE 111 57.481 95.288 84.412 775 2HB PHE 111 2HB PHE 111 57.135 94.718 86.040 776 HD1 PHE 111 HD1 PHE 111 55.707 95.986 82.906 777 HD2 PHE 111 HD2 PHE 111 54.831 94.740 86.924 778 HE1 PHE 111 HE1 PHE 111 53.301 95.820 82.331 779 HE2 PHE 111 HE2 PHE 111 52.426 94.577 86.346 780 HZ PHE 111 HZ PHE 111 51.661 95.116 84.050 781 H ILE 112 H ILE 112 58.498 98.136 84.057 782 HA ILE 112 HA ILE 112 56.308 100.100 83.575 783 HB ILE 112 HB ILE 112 58.141 101.409 82.529 784 1HG1 ILE 112 1HG1 ILE 112 60.034 99.249 83.468 785 2HG1 ILE 112 2HG1 ILE 112 59.385 99.245 81.829 786 1HG2 ILE 112 1HG2 ILE 112 59.174 102.011 84.555 787 2HG2 ILE 112 2HG2 ILE 112 59.161 100.354 85.161 788 3HG2 ILE 112 3HG2 ILE 112 57.658 101.276 85.080 789 1HD1 ILE 112 1HD1 ILE 112 61.601 100.413 82.028 790 2HD1 ILE 112 2HD1 ILE 112 60.824 101.605 83.070 791 3HD1 ILE 112 3HD1 ILE 112 60.317 101.439 81.389 792 H ALA 113 H ALA 113 55.786 100.672 81.350 793 HA ALA 113 HA ALA 113 56.282 98.472 79.372 794 1HB ALA 113 1HB ALA 113 53.866 100.264 79.833 795 2HB ALA 113 2HB ALA 113 53.966 98.543 80.210 796 3HB ALA 113 3HB ALA 113 54.003 99.081 78.530 797 HA PRO 114 HA PRO 114 58.304 102.222 77.715 798 1HB PRO 114 1HB PRO 114 59.634 100.934 75.719 799 2HB PRO 114 2HB PRO 114 60.239 101.013 77.387 800 1HG PRO 114 1HG PRO 114 58.805 98.804 75.998 801 2HG PRO 114 2HG PRO 114 60.181 98.733 77.112 802 1HD PRO 114 1HD PRO 114 57.652 98.175 77.883 803 2HD PRO 114 2HD PRO 114 58.854 98.894 78.976 804 H ILE 115 H ILE 115 57.739 103.483 76.078 805 HA ILE 115 HA ILE 115 55.692 102.498 74.107 806 HB ILE 115 HB ILE 115 56.347 105.300 75.081 807 1HG1 ILE 115 1HG1 ILE 115 53.968 103.567 75.808 808 2HG1 ILE 115 2HG1 ILE 115 55.398 103.719 76.829 809 1HG2 ILE 115 1HG2 ILE 115 54.683 106.067 73.712 810 2HG2 ILE 115 2HG2 ILE 115 53.735 104.588 73.859 811 3HG2 ILE 115 3HG2 ILE 115 55.121 104.643 72.770 812 1HD1 ILE 115 1HD1 ILE 115 53.345 105.800 76.133 813 2HD1 ILE 115 2HD1 ILE 115 54.981 106.295 76.567 814 3HD1 ILE 115 3HD1 ILE 115 54.005 105.375 77.712 815 H ALA 116 H ALA 116 56.444 102.279 72.069 816 HA ALA 116 HA ALA 116 59.033 102.727 71.132 817 1HB ALA 116 1HB ALA 116 58.017 102.495 68.920 818 2HB ALA 116 2HB ALA 116 56.441 102.940 69.574 819 3HB ALA 116 3HB ALA 116 57.200 101.423 70.057 820 H ALA 117 H ALA 117 60.108 104.440 70.109 821 HA ALA 117 HA ALA 117 59.034 107.144 70.567 822 1HB ALA 117 1HB ALA 117 61.626 106.311 69.251 823 2HB ALA 117 2HB ALA 117 61.409 106.257 71.000 824 3HB ALA 117 3HB ALA 117 61.291 107.794 70.143 825 H PHE 118 H PHE 118 57.857 108.150 68.996 826 HA PHE 118 HA PHE 118 58.251 107.326 66.144 827 1HB PHE 118 1HB PHE 118 55.941 108.270 65.870 828 2HB PHE 118 2HB PHE 118 56.000 106.934 67.016 829 HD1 PHE 118 HD1 PHE 118 55.562 107.268 69.364 830 HD2 PHE 118 HD2 PHE 118 55.747 110.613 66.677 831 HE1 PHE 118 HE1 PHE 118 54.587 108.728 71.116 832 HE2 PHE 118 HE2 PHE 118 54.772 112.073 68.430 833 HZ PHE 118 HZ PHE 118 54.192 111.131 70.648 834 H VAL 119 H VAL 119 57.976 109.226 64.567 835 HA VAL 119 HA VAL 119 59.228 111.679 65.753 836 HB VAL 119 HB VAL 119 59.410 110.464 62.973 837 1HG1 VAL 119 1HG1 VAL 119 59.653 112.890 62.886 838 2HG1 VAL 119 2HG1 VAL 119 61.239 112.145 62.674 839 3HG1 VAL 119 3HG1 VAL 119 60.797 112.853 64.228 840 1HG2 VAL 119 1HG2 VAL 119 61.664 109.829 63.594 841 2HG2 VAL 119 2HG2 VAL 119 60.570 109.210 64.832 842 3HG2 VAL 119 3HG2 VAL 119 61.521 110.663 65.141 843 H LEU 120 H LEU 120 58.515 113.715 64.899 844 HA LEU 120 HA LEU 120 55.792 113.634 63.638 845 1HB LEU 120 1HB LEU 120 57.147 115.567 65.545 846 2HB LEU 120 2HB LEU 120 55.612 115.920 64.756 847 HG LEU 120 HG LEU 120 54.759 113.718 65.737 848 1HD1 LEU 120 1HD1 LEU 120 56.201 113.385 68.004 849 2HD1 LEU 120 2HD1 LEU 120 57.489 113.855 66.896 850 3HD1 LEU 120 3HD1 LEU 120 56.487 112.450 66.537 851 1HD2 LEU 120 1HD2 LEU 120 53.876 114.913 67.470 852 2HD2 LEU 120 2HD2 LEU 120 54.709 116.266 66.706 853 3HD2 LEU 120 3HD2 LEU 120 55.459 115.419 68.059 854 H SER 121 H SER 121 55.577 114.640 61.680 855 HA SER 121 HA SER 121 57.488 116.736 60.825 856 1HB SER 121 1HB SER 121 58.388 114.360 60.368 857 2HB SER 121 2HB SER 121 57.100 114.231 59.174 858 HG SER 121 HG SER 121 59.011 115.020 58.232 Start of MODEL 18 1 H ARG 6 1H ARG 6 56.220 87.229 82.057 2 HA ARG 6 HA ARG 6 53.287 86.606 82.035 3 1HB ARG 6 1HB ARG 6 55.338 87.005 84.230 4 2HB ARG 6 2HB ARG 6 53.606 86.879 84.547 5 1HG ARG 6 1HG ARG 6 53.563 84.667 83.455 6 2HG ARG 6 2HG ARG 6 55.295 84.789 83.141 7 1HD ARG 6 1HD ARG 6 55.737 84.907 85.573 8 2HD ARG 6 2HD ARG 6 53.995 84.774 85.890 9 HE ARG 6 HE ARG 6 55.316 82.667 84.249 10 1HH1 ARG 6 2HH1 ARG 6 55.934 82.261 87.118 11 2HH1 ARG 6 1HH1 ARG 6 54.595 81.309 87.666 12 1HH2 ARG 6 1HH2 ARG 6 52.599 82.063 84.932 13 2HH2 ARG 6 2HH2 ARG 6 52.707 81.197 86.428 14 H TYR 7 H TYR 7 55.693 89.149 82.306 15 HA TYR 7 HA TYR 7 53.506 91.160 82.730 16 1HB TYR 7 1HB TYR 7 56.479 91.258 83.348 17 2HB TYR 7 2HB TYR 7 55.327 92.548 83.694 18 HD1 TYR 7 HD1 TYR 7 53.015 91.360 84.808 19 HD2 TYR 7 HD2 TYR 7 57.102 90.123 85.282 20 HE1 TYR 7 HE1 TYR 7 52.434 90.262 86.954 21 HE2 TYR 7 HE2 TYR 7 56.521 89.026 87.429 22 HH TYR 7 HH TYR 7 53.373 88.378 88.367 23 H ARG 8 H ARG 8 52.990 91.889 80.687 24 HA ARG 8 HA ARG 8 55.098 93.220 79.087 25 1HB ARG 8 1HB ARG 8 54.899 90.677 78.568 26 2HB ARG 8 2HB ARG 8 53.372 91.108 77.800 27 1HG ARG 8 1HG ARG 8 54.416 91.979 75.996 28 2HG ARG 8 2HG ARG 8 55.517 92.921 77.000 29 1HD ARG 8 1HD ARG 8 56.844 91.341 75.703 30 2HD ARG 8 2HD ARG 8 56.838 90.782 77.388 31 HE ARG 8 HE ARG 8 54.598 89.577 76.260 32 1HH1 ARG 8 1HH2 ARG 8 56.364 89.695 73.762 33 2HH1 ARG 8 2HH2 ARG 8 57.135 88.146 73.832 34 1HH2 ARG 8 2HH1 ARG 8 56.285 87.579 77.146 35 2HH2 ARG 8 1HH1 ARG 8 57.090 86.947 75.748 36 H VAL 9 H VAL 9 54.273 94.978 78.084 37 HA VAL 9 HA VAL 9 51.408 95.171 77.326 38 HB VAL 9 HB VAL 9 52.780 96.981 79.354 39 1HG1 VAL 9 1HG1 VAL 9 50.270 97.194 77.757 40 2HG1 VAL 9 2HG1 VAL 9 51.334 98.467 78.353 41 3HG1 VAL 9 3HG1 VAL 9 50.188 97.693 79.446 42 1HG2 VAL 9 1HG2 VAL 9 50.637 94.858 79.568 43 2HG2 VAL 9 2HG2 VAL 9 50.805 96.128 80.779 44 3HG2 VAL 9 3HG2 VAL 9 52.129 94.998 80.497 45 H GLU 10 H GLU 10 51.566 95.902 75.281 46 HA GLU 10 HA GLU 10 53.728 97.864 74.506 47 1HB GLU 10 1HB GLU 10 52.069 95.799 73.032 48 2HB GLU 10 2HB GLU 10 53.142 96.949 72.232 49 1HG GLU 10 1HG GLU 10 55.054 96.067 73.523 50 2HG GLU 10 2HG GLU 10 53.984 94.914 74.320 51 H VAL 11 H VAL 11 53.155 99.834 73.937 52 HA VAL 11 HA VAL 11 50.253 100.401 73.426 53 HB VAL 11 HB VAL 11 52.424 102.140 74.651 54 1HG1 VAL 11 1HG1 VAL 11 49.552 102.603 73.899 55 2HG1 VAL 11 2HG1 VAL 11 50.940 103.675 73.707 56 3HG1 VAL 11 3HG1 VAL 11 50.224 103.437 75.301 57 1HG2 VAL 11 1HG2 VAL 11 51.930 100.701 76.390 58 2HG2 VAL 11 2HG2 VAL 11 50.323 100.330 75.765 59 3HG2 VAL 11 3HG2 VAL 11 50.612 101.853 76.605 60 H GLU 12 H GLU 12 49.786 101.554 71.542 61 HA GLU 12 HA GLU 12 52.103 102.413 69.820 62 1HB GLU 12 1HB GLU 12 49.411 101.157 69.211 63 2HB GLU 12 2HB GLU 12 50.469 101.828 67.969 64 1HG GLU 12 1HG GLU 12 51.299 99.663 69.924 65 2HG GLU 12 2HG GLU 12 50.753 99.356 68.274 66 H VAL 13 H VAL 13 52.003 104.492 69.037 67 HA VAL 13 HA VAL 13 49.478 106.043 69.483 68 HB VAL 13 HB VAL 13 52.357 106.880 69.959 69 1HG1 VAL 13 1HG1 VAL 13 51.384 108.909 69.467 70 2HG1 VAL 13 2HG1 VAL 13 50.897 108.788 71.159 71 3HG1 VAL 13 3HG1 VAL 13 49.762 108.351 69.881 72 1HG2 VAL 13 1HG2 VAL 13 50.120 105.958 71.743 73 2HG2 VAL 13 2HG2 VAL 13 51.287 107.129 72.358 74 3HG2 VAL 13 3HG2 VAL 13 51.834 105.547 71.805 75 H SER 14 H SER 14 48.832 107.285 67.783 76 HA SER 14 HA SER 14 50.712 107.560 65.463 77 1HB SER 14 1HB SER 14 48.738 107.218 64.046 78 2HB SER 14 2HB SER 14 48.885 105.882 65.185 79 HG SER 14 HG SER 14 46.785 107.272 64.843 80 HA PRO 15 HA PRO 15 49.406 111.806 66.444 81 1HB PRO 15 1HB PRO 15 51.679 113.048 65.609 82 2HB PRO 15 2HB PRO 15 51.537 112.295 67.210 83 1HG PRO 15 1HG PRO 15 52.856 111.274 64.750 84 2HG PRO 15 2HG PRO 15 53.364 111.147 66.442 85 1HD PRO 15 1HD PRO 15 52.185 109.111 65.070 86 2HD PRO 15 2HD PRO 15 52.067 109.309 66.831 87 H ARG 16 H ARG 16 49.153 113.733 65.077 88 HA ARG 16 HA ARG 16 49.474 113.465 62.156 89 1HB ARG 16 1HB ARG 16 47.016 113.619 61.783 90 2HB ARG 16 2HB ARG 16 47.456 112.135 62.628 91 1HG ARG 16 1HG ARG 16 46.867 113.191 64.782 92 2HG ARG 16 2HG ARG 16 46.410 114.667 63.934 93 1HD ARG 16 1HD ARG 16 45.156 112.028 63.175 94 2HD ARG 16 2HD ARG 16 44.511 112.988 64.520 95 HE ARG 16 HE ARG 16 44.987 114.376 61.937 96 1HH1 ARG 16 1HH2 ARG 16 43.275 114.799 64.647 97 2HH1 ARG 16 2HH2 ARG 16 41.703 114.873 63.925 98 1HH2 ARG 16 2HH1 ARG 16 42.775 113.719 60.836 99 2HH2 ARG 16 1HH1 ARG 16 41.419 114.263 61.768 100 H PHE 17 H PHE 17 49.779 115.441 61.324 101 HA PHE 17 HA PHE 17 49.999 117.802 62.886 102 1HB PHE 17 1HB PHE 17 51.102 117.298 60.719 103 2HB PHE 17 2HB PHE 17 49.551 117.493 59.905 104 HD1 PHE 17 HD1 PHE 17 51.952 119.287 62.142 105 HD2 PHE 17 HD2 PHE 17 48.832 119.625 59.209 106 HE1 PHE 17 HE1 PHE 17 52.320 121.736 62.034 107 HE2 PHE 17 HE2 PHE 17 49.200 122.075 59.101 108 HZ PHE 17 HZ PHE 17 50.943 123.131 60.514 109 H LEU 18 H LEU 18 48.568 119.469 63.334 110 HA LEU 18 HA LEU 18 45.753 119.244 62.280 111 1HB LEU 18 1HB LEU 18 46.893 120.244 64.910 112 2HB LEU 18 2HB LEU 18 45.200 120.410 64.452 113 HG LEU 18 HG LEU 18 46.670 117.765 64.602 114 1HD1 LEU 18 1HD1 LEU 18 44.817 117.668 66.577 115 2HD1 LEU 18 2HD1 LEU 18 45.217 119.385 66.626 116 3HD1 LEU 18 3HD1 LEU 18 46.483 118.178 66.848 117 1HD2 LEU 18 1HD2 LEU 18 44.858 117.499 63.115 118 2HD2 LEU 18 2HD2 LEU 18 43.835 118.615 64.018 119 3HD2 LEU 18 3HD2 LEU 18 44.177 117.010 64.667 120 H ALA 19 H ALA 19 46.536 120.488 60.447 121 HA ALA 19 HA ALA 19 47.518 123.217 60.577 122 1HB ALA 19 1HB ALA 19 47.220 123.108 58.284 123 2HB ALA 19 2HB ALA 19 45.739 122.158 58.417 124 3HB ALA 19 3HB ALA 19 47.305 121.390 58.679 125 H HIS 20 H HIS 20 44.228 121.832 60.535 126 HA HIS 20 HA HIS 20 42.887 124.360 60.162 127 1HB HIS 20 1HB HIS 20 42.060 121.647 61.232 128 2HB HIS 20 2HB HIS 20 40.913 122.964 60.982 129 HD1 HIS 20 HD1 HIS 20 40.696 123.865 58.469 130 HD2 HIS 20 HD2 HIS 20 42.777 120.279 58.902 131 HE1 HIS 20 HE1 HIS 20 40.832 122.832 56.160 132 H GLN 21 H GLN 21 44.214 122.770 62.984 133 HA GLN 21 HA GLN 21 42.954 124.879 64.712 134 1HB GLN 21 1HB GLN 21 43.709 121.989 65.215 135 2HB GLN 21 2HB GLN 21 43.259 123.101 66.510 136 1HG GLN 21 1HG GLN 21 41.090 123.513 65.409 137 2HG GLN 21 2HG GLN 21 41.534 122.398 64.117 138 1HE2 GLN 21 1HE2 GLN 21 41.762 120.080 64.699 139 2HE2 GLN 21 2HE2 GLN 21 41.004 119.472 66.092 140 H SER 22 H SER 22 45.591 124.972 63.224 141 HA SER 22 HA SER 22 47.245 125.707 65.569 142 1HB SER 22 1HB SER 22 48.988 124.194 65.069 143 2HB SER 22 2HB SER 22 47.528 123.233 64.866 144 HG SER 22 HG SER 22 49.421 123.707 63.095 145 H THR 23 H THR 23 48.807 127.294 65.062 146 HA THR 23 HA THR 23 48.834 128.268 62.220 147 HB THR 23 HB THR 23 47.619 129.781 63.712 148 HG1 THR 23 HG1 THR 23 50.234 130.774 63.274 149 1HG2 THR 23 1HG2 THR 23 49.662 130.727 65.444 150 2HG2 THR 23 2HG2 THR 23 49.626 128.973 65.601 151 3HG2 THR 23 3HG2 THR 23 48.164 129.912 65.888 152 HA PRO 24 HA PRO 24 53.065 126.920 63.285 153 1HB PRO 24 1HB PRO 24 53.903 126.574 60.708 154 2HB PRO 24 2HB PRO 24 52.998 125.338 61.606 155 1HG PRO 24 1HG PRO 24 52.028 127.286 59.579 156 2HG PRO 24 2HG PRO 24 51.601 125.581 59.805 157 1HD PRO 24 1HD PRO 24 50.023 127.622 60.638 158 2HD PRO 24 2HD PRO 24 50.076 126.041 61.448 159 H ASP 25 H ASP 25 51.891 129.447 61.153 160 HA ASP 25 HA ASP 25 54.397 130.698 60.552 161 1HB ASP 25 1HB ASP 25 52.143 131.057 59.454 162 2HB ASP 25 2HB ASP 25 51.669 131.995 60.871 163 H GLU 26 H GLU 26 52.450 130.714 63.455 164 HA GLU 26 HA GLU 26 54.043 132.996 64.558 165 1HB GLU 26 1HB GLU 26 51.470 132.865 64.520 166 2HB GLU 26 2HB GLU 26 51.633 131.631 65.770 167 1HG GLU 26 1HG GLU 26 52.898 133.219 67.177 168 2HG GLU 26 2HG GLU 26 52.733 134.454 65.930 169 H GLY 27 H GLY 27 54.890 130.036 64.265 170 1HA GLY 27 1HA GLY 27 56.217 128.572 65.531 171 2HA GLY 27 2HA GLY 27 56.273 129.814 66.782 172 H ARG 28 H ARG 28 53.240 128.576 65.574 173 HA ARG 28 HA ARG 28 52.810 127.164 68.189 174 1HB ARG 28 1HB ARG 28 51.285 129.168 66.617 175 2HB ARG 28 2HB ARG 28 50.327 127.896 67.378 176 1HG ARG 28 1HG ARG 28 51.381 128.410 69.552 177 2HG ARG 28 2HG ARG 28 52.329 129.686 68.789 178 1HD ARG 28 1HD ARG 28 50.143 130.760 68.074 179 2HD ARG 28 2HD ARG 28 49.315 129.585 69.114 180 HE ARG 28 HE ARG 28 51.016 130.487 70.914 181 1HH1 ARG 28 2HH1 ARG 28 48.376 131.978 69.857 182 2HH1 ARG 28 1HH1 ARG 28 48.925 133.611 70.031 183 1HH2 ARG 28 1HH2 ARG 28 52.245 132.725 70.499 184 2HH2 ARG 28 2HH2 ARG 28 51.116 134.034 70.394 185 H TYR 29 H TYR 29 53.302 125.060 67.358 186 HA TYR 29 HA TYR 29 51.649 124.075 65.062 187 1HB TYR 29 1HB TYR 29 54.068 122.890 66.472 188 2HB TYR 29 2HB TYR 29 53.329 122.281 64.994 189 HD1 TYR 29 HD1 TYR 29 55.187 125.139 66.471 190 HD2 TYR 29 HD2 TYR 29 53.798 123.267 62.863 191 HE1 TYR 29 HE1 TYR 29 56.611 126.663 65.130 192 HE2 TYR 29 HE2 TYR 29 55.221 124.794 61.524 193 HH TYR 29 HH TYR 29 56.287 126.972 61.740 194 H ALA 30 H ALA 30 50.053 122.586 65.478 195 HA ALA 30 HA ALA 30 49.877 121.538 68.278 196 1HB ALA 30 1HB ALA 30 47.533 121.835 68.136 197 2HB ALA 30 2HB ALA 30 47.559 121.858 66.372 198 3HB ALA 30 3HB ALA 30 48.182 123.234 67.282 199 H PHE 31 H PHE 31 50.198 119.346 68.407 200 HA PHE 31 HA PHE 31 49.496 117.648 66.031 201 1HB PHE 31 1HB PHE 31 51.605 117.394 68.197 202 2HB PHE 31 2HB PHE 31 51.258 116.122 67.028 203 HD1 PHE 31 HD1 PHE 31 52.563 119.551 67.469 204 HD2 PHE 31 HD2 PHE 31 51.918 116.325 64.709 205 HE1 PHE 31 HE1 PHE 31 54.052 120.658 65.827 206 HE2 PHE 31 HE2 PHE 31 53.403 117.435 63.063 207 HZ PHE 31 HZ PHE 31 54.471 119.603 63.622 208 H ALA 32 H ALA 32 47.969 116.013 66.416 209 HA ALA 32 HA ALA 32 47.165 115.517 69.267 210 1HB ALA 32 1HB ALA 32 45.293 116.435 68.217 211 2HB ALA 32 2HB ALA 32 45.042 114.724 67.870 212 3HB ALA 32 3HB ALA 32 45.735 115.780 66.640 213 H TYR 33 H TYR 33 47.438 113.378 69.954 214 HA TYR 33 HA TYR 33 47.922 111.344 67.798 215 1HB TYR 33 1HB TYR 33 49.737 110.456 69.128 216 2HB TYR 33 2HB TYR 33 49.974 112.193 68.970 217 HD1 TYR 33 HD1 TYR 33 48.862 109.493 71.252 218 HD2 TYR 33 HD2 TYR 33 49.881 113.650 70.889 219 HE1 TYR 33 HE1 TYR 33 48.911 109.695 73.723 220 HE2 TYR 33 HE2 TYR 33 49.927 113.850 73.360 221 HH TYR 33 HH TYR 33 48.613 111.578 75.417 222 H SER 34 H SER 34 47.108 109.258 68.155 223 HA SER 34 HA SER 34 45.159 108.998 70.410 224 1HB SER 34 1HB SER 34 45.485 107.681 67.697 225 2HB SER 34 2HB SER 34 44.300 107.142 68.884 226 HG SER 34 HG SER 34 44.497 109.634 67.556 227 H ILE 35 H ILE 35 45.555 107.453 71.953 228 HA ILE 35 HA ILE 35 48.020 105.737 71.698 229 HB ILE 35 HB ILE 35 47.807 107.432 73.498 230 1HG1 ILE 35 1HG1 ILE 35 47.683 104.581 74.524 231 2HG1 ILE 35 2HG1 ILE 35 49.102 105.292 73.754 232 1HG2 ILE 35 1HG2 ILE 35 45.173 106.555 73.639 233 2HG2 ILE 35 2HG2 ILE 35 45.965 107.622 74.791 234 3HG2 ILE 35 3HG2 ILE 35 45.905 105.885 75.090 235 1HD1 ILE 35 1HD1 ILE 35 47.753 106.483 76.190 236 2HD1 ILE 35 2HD1 ILE 35 49.300 106.956 75.488 237 3HD1 ILE 35 3HD1 ILE 35 49.133 105.389 76.278 238 H ARG 36 H ARG 36 47.878 103.598 71.669 239 HA ARG 36 HA ARG 36 45.261 102.270 72.314 240 1HB ARG 36 1HB ARG 36 45.929 102.440 69.881 241 2HB ARG 36 2HB ARG 36 47.342 101.455 70.262 242 1HG ARG 36 1HG ARG 36 45.869 99.648 71.072 243 2HG ARG 36 2HG ARG 36 44.454 100.630 70.688 244 1HD ARG 36 1HD ARG 36 45.117 100.658 68.300 245 2HD ARG 36 2HD ARG 36 46.526 99.650 68.689 246 HE ARG 36 HE ARG 36 45.062 97.806 69.083 247 1HH1 ARG 36 2HH1 ARG 36 43.512 99.222 66.836 248 2HH1 ARG 36 1HH1 ARG 36 41.904 99.175 67.476 249 1HH2 ARG 36 1HH2 ARG 36 42.926 98.411 70.701 250 2HH2 ARG 36 2HH2 ARG 36 41.571 98.716 69.665 251 H ILE 37 H ILE 37 45.762 101.518 74.363 252 HA ILE 37 HA ILE 37 48.347 100.174 74.959 253 HB ILE 37 HB ILE 37 45.855 100.742 76.598 254 1HG1 ILE 37 1HG1 ILE 37 48.508 102.211 76.590 255 2HG1 ILE 37 2HG1 ILE 37 47.108 102.747 75.658 256 1HG2 ILE 37 1HG2 ILE 37 47.555 98.893 77.321 257 2HG2 ILE 37 2HG2 ILE 37 47.083 100.114 78.502 258 3HG2 ILE 37 3HG2 ILE 37 48.629 100.248 77.665 259 1HD1 ILE 37 1HD1 ILE 37 45.941 102.385 78.077 260 2HD1 ILE 37 2HD1 ILE 37 46.644 103.920 77.567 261 3HD1 ILE 37 3HD1 ILE 37 47.572 102.823 78.589 262 H GLN 38 H GLN 38 48.533 98.012 74.484 263 HA GLN 38 HA GLN 38 46.086 96.293 74.770 264 1HB GLN 38 1HB GLN 38 47.008 94.928 72.969 265 2HB GLN 38 2HB GLN 38 46.979 96.606 72.433 266 1HG GLN 38 1HG GLN 38 49.475 96.257 73.711 267 2HG GLN 38 2HG GLN 38 49.245 94.820 72.723 268 1HE2 GLN 38 1HE2 GLN 38 50.269 95.150 70.746 269 2HE2 GLN 38 2HE2 GLN 38 50.212 96.587 69.846 270 H ASN 39 H ASN 39 46.258 94.508 76.043 271 HA ASN 39 HA ASN 39 48.621 94.361 77.787 272 1HB ASN 39 1HB ASN 39 46.251 94.305 78.599 273 2HB ASN 39 2HB ASN 39 46.048 92.750 77.791 274 1HD2 ASN 39 1HD2 ASN 39 46.118 93.535 80.782 275 2HD2 ASN 39 2HD2 ASN 39 47.250 92.465 81.453 276 H ALA 40 H ALA 40 50.316 93.046 77.219 277 HA ALA 40 HA ALA 40 49.746 90.559 75.634 278 1HB ALA 40 1HB ALA 40 51.091 92.051 74.352 279 2HB ALA 40 2HB ALA 40 52.240 90.906 75.045 280 3HB ALA 40 3HB ALA 40 52.055 92.509 75.757 281 H GLY 41 H GLY 41 50.350 91.495 78.759 282 1HA GLY 41 1HA GLY 41 52.404 89.510 79.416 283 2HA GLY 41 2HA GLY 41 51.511 90.503 80.572 284 H ALA 42 H ALA 42 51.556 88.140 81.563 285 HA ALA 42 HA ALA 42 49.322 86.508 80.479 286 1HB ALA 42 1HB ALA 42 51.345 85.911 82.654 287 2HB ALA 42 2HB ALA 42 51.585 85.534 80.949 288 3HB ALA 42 3HB ALA 42 50.295 84.744 81.854 289 H VAL 43 H VAL 43 50.335 88.357 83.272 290 HA VAL 43 HA VAL 43 47.797 87.702 84.715 291 HB VAL 43 HB VAL 43 50.436 88.963 85.568 292 1HG1 VAL 43 1HG1 VAL 43 48.344 89.682 86.858 293 2HG1 VAL 43 2HG1 VAL 43 49.638 88.957 87.812 294 3HG1 VAL 43 3HG1 VAL 43 48.219 88.003 87.383 295 1HG2 VAL 43 1HG2 VAL 43 50.793 86.646 85.162 296 2HG2 VAL 43 2HG2 VAL 43 49.238 86.203 85.866 297 3HG2 VAL 43 3HG2 VAL 43 50.546 86.771 86.903 298 HA PRO 44 HA PRO 44 46.044 91.561 83.552 299 1HB PRO 44 1HB PRO 44 44.701 92.240 85.849 300 2HB PRO 44 2HB PRO 44 44.105 91.044 84.677 301 1HG PRO 44 1HG PRO 44 45.611 90.600 87.220 302 2HG PRO 44 2HG PRO 44 44.166 89.769 86.610 303 1HD PRO 44 1HD PRO 44 46.554 88.644 86.368 304 2HD PRO 44 2HD PRO 44 45.371 88.534 85.050 305 H ALA 45 H ALA 45 46.683 93.678 83.650 306 HA ALA 45 HA ALA 45 48.312 94.630 85.981 307 1HB ALA 45 1HB ALA 45 49.785 93.704 84.234 308 2HB ALA 45 2HB ALA 45 49.974 95.454 84.348 309 3HB ALA 45 3HB ALA 45 49.026 94.753 83.036 310 H ARG 46 H ARG 46 48.284 96.889 86.246 311 HA ARG 46 HA ARG 46 46.380 98.419 84.501 312 1HB ARG 46 1HB ARG 46 45.639 99.524 86.605 313 2HB ARG 46 2HB ARG 46 45.373 97.784 86.653 314 1HG ARG 46 1HG ARG 46 46.839 97.486 88.358 315 2HG ARG 46 2HG ARG 46 48.025 98.578 87.644 316 1HD ARG 46 1HD ARG 46 47.253 99.556 89.742 317 2HD ARG 46 2HD ARG 46 46.571 100.513 88.411 318 HE ARG 46 HE ARG 46 44.466 99.193 88.682 319 1HH1 ARG 46 1HH2 ARG 46 45.876 100.484 91.322 320 2HH1 ARG 46 2HH2 ARG 46 45.211 99.390 92.489 321 1HH2 ARG 46 2HH1 ARG 46 44.017 97.163 90.114 322 2HH2 ARG 46 1HH1 ARG 46 44.159 97.511 91.805 323 H LEU 47 H LEU 47 46.825 100.787 84.498 324 HA LEU 47 HA LEU 47 49.749 101.329 84.717 325 1HB LEU 47 1HB LEU 47 48.311 101.742 82.641 326 2HB LEU 47 2HB LEU 47 47.539 103.043 83.547 327 HG LEU 47 HG LEU 47 50.540 102.901 83.288 328 1HD1 LEU 47 1HD1 LEU 47 48.503 103.800 81.285 329 2HD1 LEU 47 2HD1 LEU 47 50.063 103.021 81.022 330 3HD1 LEU 47 3HD1 LEU 47 49.992 104.731 81.446 331 1HD2 LEU 47 1HD2 LEU 47 48.467 104.899 84.119 332 2HD2 LEU 47 2HD2 LEU 47 49.958 105.495 83.389 333 3HD2 LEU 47 3HD2 LEU 47 50.022 104.528 84.861 334 H VAL 48 H VAL 48 50.407 102.272 86.616 335 HA VAL 48 HA VAL 48 48.436 103.856 88.191 336 HB VAL 48 HB VAL 48 51.158 102.687 88.871 337 1HG1 VAL 48 1HG1 VAL 48 50.857 104.445 90.405 338 2HG1 VAL 48 2HG1 VAL 48 50.170 103.063 91.257 339 3HG1 VAL 48 3HG1 VAL 48 49.108 104.223 90.459 340 1HG2 VAL 48 1HG2 VAL 48 49.960 100.933 89.975 341 2HG2 VAL 48 2HG2 VAL 48 49.231 101.085 88.376 342 3HG2 VAL 48 3HG2 VAL 48 48.421 101.771 89.784 343 H ALA 49 H ALA 49 51.474 104.163 86.428 344 HA ALA 49 HA ALA 49 51.351 107.097 86.966 345 1HB ALA 49 1HB ALA 49 54.046 106.601 86.958 346 2HB ALA 49 2HB ALA 49 53.421 105.128 87.700 347 3HB ALA 49 3HB ALA 49 53.060 106.699 88.416 348 H ARG 50 H ARG 50 52.651 108.361 85.419 349 HA ARG 50 HA ARG 50 53.303 107.025 82.806 350 1HB ARG 50 1HB ARG 50 51.923 108.697 81.673 351 2HB ARG 50 2HB ARG 50 50.939 107.802 82.827 352 1HG ARG 50 1HG ARG 50 51.451 109.693 84.488 353 2HG ARG 50 2HG ARG 50 52.041 110.603 83.099 354 1HD ARG 50 1HD ARG 50 49.388 109.323 82.728 355 2HD ARG 50 2HD ARG 50 49.441 110.659 83.895 356 HE ARG 50 HE ARG 50 50.690 111.927 82.019 357 1HH1 ARG 50 2HH1 ARG 50 50.133 109.254 80.388 358 2HH1 ARG 50 1HH1 ARG 50 48.933 109.857 79.294 359 1HH2 ARG 50 1HH2 ARG 50 48.397 112.782 81.077 360 2HH2 ARG 50 2HH2 ARG 50 47.950 111.854 79.684 361 H HIS 51 H HIS 51 55.061 107.901 81.835 362 HA HIS 51 HA HIS 51 56.051 110.586 82.689 363 1HB HIS 51 1HB HIS 51 57.087 108.854 84.125 364 2HB HIS 51 2HB HIS 51 57.622 107.985 82.687 365 HD1 HIS 51 HD1 HIS 51 60.124 108.361 83.479 366 HD2 HIS 51 HD2 HIS 51 58.039 111.855 82.572 367 HE1 HIS 51 HE1 HIS 51 61.857 110.196 83.273 368 H TRP 52 H TRP 52 56.140 111.664 80.779 369 HA TRP 52 HA TRP 52 56.870 110.214 78.270 370 1HB TRP 52 1HB TRP 52 55.542 112.825 79.006 371 2HB TRP 52 2HB TRP 52 56.067 112.498 77.356 372 HD1 TRP 52 HD1 TRP 52 53.239 111.964 79.654 373 HE1 TRP 52 HE1 TRP 52 51.542 110.312 78.635 374 HE3 TRP 52 HE3 TRP 52 56.020 110.114 75.791 375 HZ2 TRP 52 HZ2 TRP 52 51.385 108.455 76.468 376 HZ3 TRP 52 HZ3 TRP 52 55.072 108.405 74.266 377 HH2 TRP 52 HH2 TRP 52 52.761 107.574 74.599 378 H GLN 53 H GLN 53 58.823 110.587 77.301 379 HA GLN 53 HA GLN 53 60.548 112.810 78.355 380 1HB GLN 53 1HB GLN 53 61.289 110.498 78.837 381 2HB GLN 53 2HB GLN 53 61.240 110.123 77.115 382 1HG GLN 53 1HG GLN 53 62.944 111.857 76.684 383 2HG GLN 53 2HG GLN 53 62.997 112.232 78.407 384 1HE2 GLN 53 1HE2 GLN 53 65.363 111.376 77.151 385 2HE2 GLN 53 2HE2 GLN 53 65.753 109.810 77.679 386 H ILE 54 H ILE 54 59.335 114.141 76.640 387 HA ILE 54 HA ILE 54 59.884 113.486 73.820 388 HB ILE 54 HB ILE 54 58.448 115.367 73.378 389 1HG1 ILE 54 1HG1 ILE 54 58.550 116.040 76.334 390 2HG1 ILE 54 2HG1 ILE 54 59.443 116.912 75.092 391 1HG2 ILE 54 1HG2 ILE 54 56.451 114.759 74.705 392 2HG2 ILE 54 2HG2 ILE 54 57.477 113.853 75.817 393 3HG2 ILE 54 3HG2 ILE 54 57.322 113.333 74.139 394 1HD1 ILE 54 1HD1 ILE 54 57.400 118.124 75.489 395 2HD1 ILE 54 2HD1 ILE 54 56.440 116.654 75.320 396 3HD1 ILE 54 3HD1 ILE 54 57.260 117.337 73.917 397 H THR 55 H THR 55 61.565 114.214 72.662 398 HA THR 55 HA THR 55 63.154 116.546 73.686 399 HB THR 55 HB THR 55 64.083 114.046 72.212 400 HG1 THR 55 HG1 THR 55 64.213 113.260 74.136 401 1HG2 THR 55 1HG2 THR 55 65.747 116.242 73.464 402 2HG2 THR 55 2HG2 THR 55 65.352 116.179 71.747 403 3HG2 THR 55 3HG2 THR 55 66.319 114.898 72.477 404 H ASP 56 H ASP 56 63.364 118.192 72.295 405 HA ASP 56 HA ASP 56 62.010 117.964 69.705 406 1HB ASP 56 1HB ASP 56 61.771 119.836 71.422 407 2HB ASP 56 2HB ASP 56 63.383 120.364 70.938 408 H GLY 57 H GLY 57 63.064 119.104 67.803 409 1HA GLY 57 1HA GLY 57 65.460 117.792 67.036 410 2HA GLY 57 2HA GLY 57 64.734 119.142 66.177 411 H ASN 58 H ASN 58 65.235 120.466 69.151 412 HA ASN 58 HA ASN 58 67.910 121.493 68.324 413 1HB ASN 58 1HB ASN 58 65.756 122.510 70.209 414 2HB ASN 58 2HB ASN 58 67.296 123.330 69.951 415 1HD2 ASN 58 1HD2 ASN 58 67.716 123.300 67.270 416 2HD2 ASN 58 2HD2 ASN 58 66.423 123.999 66.422 417 H GLY 59 H GLY 59 66.859 119.035 70.177 418 1HA GLY 59 1HA GLY 59 68.274 117.755 71.635 419 2HA GLY 59 2HA GLY 59 69.220 119.207 71.950 420 H ARG 60 H ARG 60 66.739 120.808 72.511 421 HA ARG 60 HA ARG 60 66.618 120.414 75.353 422 1HB ARG 60 1HB ARG 60 65.460 122.122 73.273 423 2HB ARG 60 2HB ARG 60 64.308 121.793 74.564 424 1HG ARG 60 1HG ARG 60 65.338 123.427 75.735 425 2HG ARG 60 2HG ARG 60 66.687 122.310 75.930 426 1HD ARG 60 1HD ARG 60 67.460 124.476 74.998 427 2HD ARG 60 2HD ARG 60 67.678 123.177 73.808 428 HE ARG 60 HE ARG 60 65.913 124.111 72.517 429 1HH1 ARG 60 1HH2 ARG 60 66.845 126.772 73.494 430 2HH1 ARG 60 2HH2 ARG 60 65.388 127.467 74.123 431 1HH2 ARG 60 2HH1 ARG 60 63.697 124.444 74.269 432 2HH2 ARG 60 1HH1 ARG 60 63.606 126.148 74.562 433 H THR 61 H THR 61 65.125 119.268 76.618 434 HA THR 61 HA THR 61 62.965 117.817 75.163 435 HB THR 61 HB THR 61 64.908 116.344 75.457 436 HG1 THR 61 HG1 THR 61 63.526 114.854 75.895 437 1HG2 THR 61 1HG2 THR 61 64.644 117.153 78.361 438 2HG2 THR 61 2HG2 THR 61 66.035 117.387 77.304 439 3HG2 THR 61 3HG2 THR 61 65.590 115.763 77.828 440 H GLU 62 H GLU 62 61.113 117.279 76.495 441 HA GLU 62 HA GLU 62 61.008 118.767 79.100 442 1HB GLU 62 1HB GLU 62 59.748 119.715 77.127 443 2HB GLU 62 2HB GLU 62 58.781 118.240 77.107 444 1HG GLU 62 1HG GLU 62 57.583 119.942 78.369 445 2HG GLU 62 2HG GLU 62 58.133 118.689 79.482 446 H GLN 63 H GLN 63 60.727 117.408 80.792 447 HA GLN 63 HA GLN 63 59.617 114.665 80.348 448 1HB GLN 63 1HB GLN 63 61.253 116.015 82.507 449 2HB GLN 63 2HB GLN 63 60.653 114.362 82.640 450 1HG GLN 63 1HG GLN 63 61.843 113.756 80.566 451 2HG GLN 63 2HG GLN 63 62.448 115.407 80.432 452 1HE2 GLN 63 1HE2 GLN 63 63.747 116.182 82.439 453 2HE2 GLN 63 2HE2 GLN 63 64.735 115.033 83.206 454 H VAL 64 H VAL 64 57.644 114.130 81.219 455 HA VAL 64 HA VAL 64 56.423 116.003 83.223 456 HB VAL 64 HB VAL 64 55.128 114.567 80.875 457 1HG1 VAL 64 1HG1 VAL 64 53.651 114.841 82.876 458 2HG1 VAL 64 2HG1 VAL 64 53.102 115.777 81.487 459 3HG1 VAL 64 3HG1 VAL 64 53.945 116.579 82.813 460 1HG2 VAL 64 1HG2 VAL 64 55.815 117.480 81.371 461 2HG2 VAL 64 2HG2 VAL 64 54.776 116.925 80.059 462 3HG2 VAL 64 3HG2 VAL 64 56.470 116.438 80.109 463 H ASP 65 H ASP 65 55.720 115.022 85.027 464 HA ASP 65 HA ASP 65 55.337 112.040 85.027 465 1HB ASP 65 1HB ASP 65 56.335 112.127 87.301 466 2HB ASP 65 2HB ASP 65 57.448 112.745 86.081 467 H GLY 66 H GLY 66 53.306 111.463 85.694 468 1HA GLY 66 1HA GLY 66 51.913 113.073 87.738 469 2HA GLY 66 2HA GLY 66 51.113 112.962 86.168 470 H GLU 67 H GLU 67 50.031 111.888 88.613 471 HA GLU 67 HA GLU 67 50.496 108.999 88.652 472 1HB GLU 67 1HB GLU 67 49.918 110.377 90.638 473 2HB GLU 67 2HB GLU 67 48.355 110.747 89.909 474 1HG GLU 67 1HG GLU 67 47.793 108.343 89.884 475 2HG GLU 67 2HG GLU 67 49.353 107.970 90.615 476 H GLY 68 H GLY 68 48.885 107.408 88.067 477 1HA GLY 68 1HA GLY 68 47.399 106.451 86.537 478 2HA GLY 68 2HA GLY 68 46.348 107.777 87.016 479 H VAL 69 H VAL 69 45.630 107.453 84.734 480 HA VAL 69 HA VAL 69 47.216 109.180 82.847 481 HB VAL 69 HB VAL 69 46.380 107.604 81.058 482 1HG1 VAL 69 1HG1 VAL 69 48.581 107.126 81.451 483 2HG1 VAL 69 2HG1 VAL 69 47.899 105.624 82.075 484 3HG1 VAL 69 3HG1 VAL 69 48.339 106.922 83.185 485 1HG2 VAL 69 1HG2 VAL 69 44.507 106.630 82.377 486 2HG2 VAL 69 2HG2 VAL 69 45.681 105.852 83.438 487 3HG2 VAL 69 3HG2 VAL 69 45.581 105.384 81.741 488 H VAL 70 H VAL 70 46.069 110.802 82.087 489 HA VAL 70 HA VAL 70 44.299 112.321 81.928 490 HB VAL 70 HB VAL 70 42.671 111.560 80.281 491 1HG1 VAL 70 1HG1 VAL 70 44.190 111.282 78.624 492 2HG1 VAL 70 2HG1 VAL 70 44.934 109.881 79.398 493 3HG1 VAL 70 3HG1 VAL 70 45.370 111.510 79.914 494 1HG2 VAL 70 1HG2 VAL 70 42.123 109.412 81.467 495 2HG2 VAL 70 2HG2 VAL 70 43.619 108.732 80.823 496 3HG2 VAL 70 3HG2 VAL 70 42.334 109.235 79.728 497 H GLY 71 H GLY 71 44.306 111.008 84.479 498 1HA GLY 71 1HA GLY 71 42.917 111.277 86.365 499 2HA GLY 71 2HA GLY 71 41.579 111.657 85.294 500 H GLU 72 H GLU 72 43.216 108.665 84.601 501 HA GLU 72 HA GLU 72 41.277 107.152 86.294 502 1HB GLU 72 1HB GLU 72 40.515 105.873 84.311 503 2HB GLU 72 2HB GLU 72 40.143 107.591 84.176 504 1HG GLU 72 1HG GLU 72 41.985 107.953 82.695 505 2HG GLU 72 2HG GLU 72 42.621 106.337 82.981 506 H GLN 73 H GLN 73 41.835 105.000 86.693 507 HA GLN 73 HA GLN 73 44.641 104.186 85.970 508 1HB GLN 73 1HB GLN 73 42.858 103.748 88.384 509 2HB GLN 73 2HB GLN 73 44.388 102.901 88.150 510 1HG GLN 73 1HG GLN 73 45.622 104.972 88.158 511 2HG GLN 73 2HG GLN 73 44.134 105.919 88.131 512 1HE2 GLN 73 1HE2 GLN 73 44.178 106.926 90.180 513 2HE2 GLN 73 2HE2 GLN 73 44.281 106.080 91.648 514 HA PRO 74 HA PRO 74 41.463 101.358 83.991 515 1HB PRO 74 1HB PRO 74 43.014 100.721 81.833 516 2HB PRO 74 2HB PRO 74 41.932 102.127 81.873 517 1HG PRO 74 1HG PRO 74 44.875 101.995 82.301 518 2HG PRO 74 2HG PRO 74 43.915 103.194 81.418 519 1HD PRO 74 1HD PRO 74 44.865 103.629 83.913 520 2HD PRO 74 2HD PRO 74 43.349 104.342 83.319 521 H TRP 75 H TRP 75 41.454 99.168 84.264 522 HA TRP 75 HA TRP 75 43.941 97.843 85.275 523 1HB TRP 75 1HB TRP 75 41.640 98.039 86.512 524 2HB TRP 75 2HB TRP 75 41.116 96.786 85.388 525 HD1 TRP 75 HD1 TRP 75 43.924 97.412 87.967 526 HE1 TRP 75 HE1 TRP 75 44.598 95.145 88.990 527 HE3 TRP 75 HE3 TRP 75 40.972 94.288 85.209 528 HZ2 TRP 75 HZ2 TRP 75 43.967 92.373 88.682 529 HZ3 TRP 75 HZ3 TRP 75 41.027 91.841 85.598 530 HH2 TRP 75 HH2 TRP 75 42.520 90.880 87.328 531 H LEU 76 H LEU 76 44.623 97.704 82.914 532 HA LEU 76 HA LEU 76 43.136 96.328 80.920 533 1HB LEU 76 1HB LEU 76 45.450 97.702 81.038 534 2HB LEU 76 2HB LEU 76 46.098 96.061 80.986 535 HG LEU 76 HG LEU 76 44.613 95.624 78.994 536 1HD1 LEU 76 1HD1 LEU 76 43.345 97.933 79.761 537 2HD1 LEU 76 2HD1 LEU 76 43.213 97.211 78.159 538 3HD1 LEU 76 3HD1 LEU 76 44.364 98.516 78.445 539 1HD2 LEU 76 1HD2 LEU 76 46.044 96.907 77.416 540 2HD2 LEU 76 2HD2 LEU 76 46.991 96.155 78.701 541 3HD2 LEU 76 3HD2 LEU 76 46.629 97.880 78.766 542 H ARG 77 H ARG 77 42.446 94.261 80.962 543 HA ARG 77 HA ARG 77 43.756 92.221 82.646 544 1HB ARG 77 1HB ARG 77 41.250 92.570 81.047 545 2HB ARG 77 2HB ARG 77 41.798 90.921 81.349 546 1HG ARG 77 1HG ARG 77 42.064 91.779 83.827 547 2HG ARG 77 2HG ARG 77 40.908 93.008 83.311 548 1HD ARG 77 1HD ARG 77 40.471 90.016 82.991 549 2HD ARG 77 2HD ARG 77 39.767 91.006 84.285 550 HE ARG 77 HE ARG 77 38.821 92.429 82.335 551 1HH1 ARG 77 1HH2 ARG 77 37.398 89.785 82.972 552 2HH1 ARG 77 2HH2 ARG 77 37.170 89.148 81.378 553 1HH2 ARG 77 2HH1 ARG 77 39.450 91.305 79.903 554 2HH2 ARG 77 1HH1 ARG 77 38.331 90.010 79.640 555 HA PRO 78 HA PRO 78 46.281 90.444 79.525 556 1HB PRO 78 1HB PRO 78 45.671 87.774 79.537 557 2HB PRO 78 2HB PRO 78 46.675 88.541 80.784 558 1HG PRO 78 1HG PRO 78 43.793 87.804 80.866 559 2HG PRO 78 2HG PRO 78 45.031 87.665 82.124 560 1HD PRO 78 1HD PRO 78 43.187 89.653 82.084 561 2HD PRO 78 2HD PRO 78 44.814 89.853 82.772 562 H GLY 79 H GLY 79 45.992 90.622 77.395 563 1HA GLY 79 1HA GLY 79 45.089 90.092 75.242 564 2HA GLY 79 2HA GLY 79 43.744 89.278 76.034 565 H GLU 80 H GLU 80 43.511 91.896 77.761 566 HA GLU 80 HA GLU 80 41.609 93.211 75.923 567 1HB GLU 80 1HB GLU 80 41.082 92.621 78.299 568 2HB GLU 80 2HB GLU 80 42.337 93.745 78.823 569 1HG GLU 80 1HG GLU 80 41.155 95.613 77.788 570 2HG GLU 80 2HG GLU 80 39.939 94.517 77.134 571 H ALA 81 H ALA 81 41.633 95.650 75.821 572 HA ALA 81 HA ALA 81 44.329 96.864 76.143 573 1HB ALA 81 1HB ALA 81 42.717 96.597 73.588 574 2HB ALA 81 2HB ALA 81 44.322 95.939 73.909 575 3HB ALA 81 3HB ALA 81 44.099 97.681 73.749 576 H PHE 82 H PHE 82 44.245 99.181 76.270 577 HA PHE 82 HA PHE 82 41.488 100.344 76.533 578 1HB PHE 82 1HB PHE 82 42.689 100.080 78.671 579 2HB PHE 82 2HB PHE 82 44.073 100.954 78.016 580 HD1 PHE 82 HD1 PHE 82 44.171 103.308 78.134 581 HD2 PHE 82 HD2 PHE 82 40.419 101.303 78.732 582 HE1 PHE 82 HE1 PHE 82 43.126 105.459 78.788 583 HE2 PHE 82 HE2 PHE 82 39.375 103.455 79.386 584 HZ PHE 82 HZ PHE 82 40.727 105.532 79.413 585 H HIS 83 H HIS 83 41.203 102.430 75.527 586 HA HIS 83 HA HIS 83 43.579 103.658 74.214 587 1HB HIS 83 1HB HIS 83 42.349 103.668 72.052 588 2HB HIS 83 2HB HIS 83 42.647 102.030 72.634 589 HD1 HIS 83 HD1 HIS 83 39.880 104.605 72.373 590 HD2 HIS 83 HD2 HIS 83 40.331 100.542 73.184 591 HE1 HIS 83 HE1 HIS 83 37.546 103.624 72.432 592 H TYR 84 H TYR 84 43.413 105.874 74.012 593 HA TYR 84 HA TYR 84 40.810 107.230 74.253 594 1HB TYR 84 1HB TYR 84 41.409 108.468 76.251 595 2HB TYR 84 2HB TYR 84 41.608 106.755 76.592 596 HD1 TYR 84 HD1 TYR 84 43.353 109.945 75.972 597 HD2 TYR 84 HD2 TYR 84 43.819 105.788 76.946 598 HE1 TYR 84 HE1 TYR 84 45.699 110.368 76.655 599 HE2 TYR 84 HE2 TYR 84 46.168 106.210 77.622 600 HH TYR 84 HH TYR 84 47.418 108.599 78.518 601 H THR 85 H THR 85 41.082 109.629 73.838 602 HA THR 85 HA THR 85 43.307 110.045 71.899 603 HB THR 85 HB THR 85 40.776 111.625 72.458 604 HG1 THR 85 HG1 THR 85 41.344 109.757 70.404 605 1HG2 THR 85 1HG2 THR 85 42.135 113.098 71.276 606 2HG2 THR 85 2HG2 THR 85 41.322 112.254 69.958 607 3HG2 THR 85 3HG2 THR 85 42.964 111.802 70.414 608 H SER 86 H SER 86 44.867 111.612 72.195 609 HA SER 86 HA SER 86 44.645 113.347 74.633 610 1HB SER 86 1HB SER 86 46.224 111.620 75.063 611 2HB SER 86 2HB SER 86 46.938 111.771 73.459 612 HG SER 86 HG SER 86 46.976 113.718 75.531 613 H GLY 87 H GLY 87 46.088 115.389 74.383 614 1HA GLY 87 1HA GLY 87 46.662 116.104 71.558 615 2HA GLY 87 2HA GLY 87 45.553 117.138 72.456 616 H VAL 88 H VAL 88 48.630 117.014 71.465 617 HA VAL 88 HA VAL 88 49.623 118.631 73.792 618 HB VAL 88 HB VAL 88 51.842 117.554 73.385 619 1HG1 VAL 88 1HG1 VAL 88 50.427 116.650 75.136 620 2HG1 VAL 88 2HG1 VAL 88 51.193 115.306 74.288 621 3HG1 VAL 88 3HG1 VAL 88 49.508 115.710 73.960 622 1HG2 VAL 88 1HG2 VAL 88 52.005 115.615 71.928 623 2HG2 VAL 88 2HG2 VAL 88 51.357 116.959 70.987 624 3HG2 VAL 88 3HG2 VAL 88 50.279 115.691 71.569 625 H LEU 89 H LEU 89 51.093 120.325 73.189 626 HA LEU 89 HA LEU 89 50.933 121.062 70.292 627 1HB LEU 89 1HB LEU 89 51.248 122.713 72.818 628 2HB LEU 89 2HB LEU 89 51.179 123.382 71.188 629 HG LEU 89 HG LEU 89 49.002 121.631 72.358 630 1HD1 LEU 89 1HD1 LEU 89 48.864 124.628 72.027 631 2HD1 LEU 89 2HD1 LEU 89 49.436 123.899 73.528 632 3HD1 LEU 89 3HD1 LEU 89 47.798 123.576 72.959 633 1HD2 LEU 89 1HD2 LEU 89 48.763 121.588 70.030 634 2HD2 LEU 89 2HD2 LEU 89 49.398 123.222 69.836 635 3HD2 LEU 89 3HD2 LEU 89 47.767 122.978 70.464 636 H LEU 90 H LEU 90 52.823 121.702 69.217 637 HA LEU 90 HA LEU 90 55.400 121.355 70.718 638 1HB LEU 90 1HB LEU 90 54.531 120.612 67.915 639 2HB LEU 90 2HB LEU 90 56.225 120.618 68.406 640 HG LEU 90 HG LEU 90 54.049 119.059 69.828 641 1HD1 LEU 90 1HD1 LEU 90 55.709 118.449 67.457 642 2HD1 LEU 90 2HD1 LEU 90 54.201 117.711 67.999 643 3HD1 LEU 90 3HD1 LEU 90 55.732 117.208 68.711 644 1HD2 LEU 90 1HD2 LEU 90 57.031 119.359 70.136 645 2HD2 LEU 90 2HD2 LEU 90 56.236 117.867 70.641 646 3HD2 LEU 90 3HD2 LEU 90 55.781 119.404 71.378 647 H GLU 91 H GLU 91 57.044 122.927 70.270 648 HA GLU 91 HA GLU 91 56.140 125.522 69.344 649 1HB GLU 91 1HB GLU 91 57.806 125.107 71.139 650 2HB GLU 91 2HB GLU 91 58.912 124.437 69.938 651 1HG GLU 91 1HG GLU 91 58.918 126.595 68.737 652 2HG GLU 91 2HG GLU 91 57.816 127.266 69.937 653 H THR 92 H THR 92 57.802 122.821 67.809 654 HA THR 92 HA THR 92 58.100 124.501 65.339 655 HB THR 92 HB THR 92 60.087 123.069 64.869 656 HG1 THR 92 HG1 THR 92 60.687 121.543 66.299 657 1HG2 THR 92 1HG2 THR 92 60.182 125.223 66.240 658 2HG2 THR 92 2HG2 THR 92 61.537 124.113 66.448 659 3HG2 THR 92 3HG2 THR 92 60.267 124.193 67.668 660 H GLU 93 H GLU 93 58.203 123.043 63.318 661 HA GLU 93 HA GLU 93 55.831 121.303 63.315 662 1HB GLU 93 1HB GLU 93 56.682 123.110 61.619 663 2HB GLU 93 2HB GLU 93 57.683 121.796 61.001 664 1HG GLU 93 1HG GLU 93 55.664 120.398 60.708 665 2HG GLU 93 2HG GLU 93 54.666 121.720 61.309 666 H GLN 94 H GLN 94 58.930 120.618 64.228 667 HA GLN 94 HA GLN 94 58.740 117.844 63.153 668 1HB GLN 94 1HB GLN 94 61.181 119.649 63.228 669 2HB GLN 94 2HB GLN 94 61.199 117.955 62.736 670 1HG GLN 94 1HG GLN 94 59.551 120.122 61.396 671 2HG GLN 94 2HG GLN 94 61.088 119.508 60.790 672 1HE2 GLN 94 1HE2 GLN 94 58.443 119.280 59.453 673 2HE2 GLN 94 2HE2 GLN 94 58.145 117.617 59.279 674 H GLY 95 H GLY 95 59.608 116.246 64.691 675 1HA GLY 95 1HA GLY 95 61.219 116.870 66.925 676 2HA GLY 95 2HA GLY 95 59.553 117.065 67.449 677 H GLN 96 H GLN 96 61.404 115.203 68.472 678 HA GLN 96 HA GLN 96 60.225 112.547 67.652 679 1HB GLN 96 1HB GLN 96 62.651 112.884 67.208 680 2HB GLN 96 2HB GLN 96 62.894 113.256 68.915 681 1HG GLN 96 1HG GLN 96 62.060 111.016 69.528 682 2HG GLN 96 2HG GLN 96 61.820 110.639 67.822 683 1HE2 GLN 96 1HE2 GLN 96 63.683 110.107 66.549 684 2HE2 GLN 96 2HE2 GLN 96 65.236 109.951 67.217 685 H MET 97 H MET 97 59.007 111.588 69.262 686 HA MET 97 HA MET 97 59.405 112.554 72.079 687 1HB MET 97 1HB MET 97 56.884 111.822 70.562 688 2HB MET 97 2HB MET 97 56.933 112.267 72.268 689 1HG MET 97 1HG MET 97 57.810 114.469 71.716 690 2HG MET 97 2HG MET 97 57.929 114.032 70.013 691 1HE MET 97 1HE MET 97 55.598 115.254 72.910 692 2HE MET 97 2HE MET 97 55.491 113.495 72.886 693 3HE MET 97 3HE MET 97 54.076 114.463 72.475 694 H GLN 98 H GLN 98 60.090 110.881 73.391 695 HA GLN 98 HA GLN 98 59.028 108.115 72.904 696 1HB GLN 98 1HB GLN 98 61.392 108.483 72.117 697 2HB GLN 98 2HB GLN 98 61.819 108.966 73.758 698 1HG GLN 98 1HG GLN 98 61.098 106.761 74.600 699 2HG GLN 98 2HG GLN 98 60.675 106.273 72.959 700 1HE2 GLN 98 1HE2 GLN 98 62.713 104.953 74.592 701 2HE2 GLN 98 2HE2 GLN 98 64.199 105.159 73.798 702 H GLY 99 H GLY 99 58.691 106.937 74.942 703 1HA GLY 99 1HA GLY 99 59.409 108.215 77.474 704 2HA GLY 99 2HA GLY 99 57.692 108.364 77.112 705 H HIS 100 H HIS 100 57.800 107.056 79.266 706 HA HIS 100 HA HIS 100 57.619 104.172 78.529 707 1HB HIS 100 1HB HIS 100 58.998 105.413 80.933 708 2HB HIS 100 2HB HIS 100 58.746 103.682 80.723 709 HD1 HIS 100 HD1 HIS 100 60.436 106.589 78.930 710 HD2 HIS 100 HD2 HIS 100 60.719 102.440 79.224 711 HE1 HIS 100 HE1 HIS 100 62.497 105.917 77.619 712 H TYR 101 H TYR 101 56.252 102.936 80.030 713 HA TYR 101 HA TYR 101 54.189 104.641 81.382 714 1HB TYR 101 1HB TYR 101 54.113 102.079 79.791 715 2HB TYR 101 2HB TYR 101 52.797 102.477 80.889 716 HD1 TYR 101 HD1 TYR 101 52.615 105.443 80.564 717 HD2 TYR 101 HD2 TYR 101 53.217 102.339 77.653 718 HE1 TYR 101 HE1 TYR 101 51.625 106.890 78.814 719 HE2 TYR 101 HE2 TYR 101 52.226 103.788 75.907 720 HH TYR 101 HH TYR 101 51.771 106.072 75.448 721 H ASP 102 H ASP 102 53.977 104.271 83.622 722 HA ASP 102 HA ASP 102 55.472 102.006 84.838 723 1HB ASP 102 1HB ASP 102 53.937 104.410 85.887 724 2HB ASP 102 2HB ASP 102 54.693 103.215 86.941 725 H MET 103 H MET 103 54.506 100.134 85.130 726 HA MET 103 HA MET 103 51.514 100.027 85.480 727 1HB MET 103 1HB MET 103 53.402 98.152 84.025 728 2HB MET 103 2HB MET 103 51.659 97.934 84.175 729 1HG MET 103 1HG MET 103 51.484 100.298 83.121 730 2HG MET 103 2HG MET 103 53.163 100.048 82.641 731 1HE MET 103 1HE MET 103 49.891 97.203 82.339 732 2HE MET 103 2HE MET 103 49.300 98.500 81.303 733 3HE MET 103 3HE MET 103 49.809 98.862 82.950 734 H VAL 104 H VAL 104 50.792 98.099 86.697 735 HA VAL 104 HA VAL 104 52.882 96.839 88.425 736 HB VAL 104 HB VAL 104 51.294 97.251 90.367 737 1HG1 VAL 104 1HG1 VAL 104 52.312 99.279 90.869 738 2HG1 VAL 104 2HG1 VAL 104 52.171 99.878 89.216 739 3HG1 VAL 104 3HG1 VAL 104 53.376 98.651 89.610 740 1HG2 VAL 104 1HG2 VAL 104 50.080 99.284 88.470 741 2HG2 VAL 104 2HG2 VAL 104 49.622 98.999 90.149 742 3HG2 VAL 104 3HG2 VAL 104 49.300 97.772 88.930 743 H ALA 105 H ALA 105 52.507 94.655 88.614 744 HA ALA 105 HA ALA 105 50.209 93.383 87.326 745 1HB ALA 105 1HB ALA 105 52.461 92.393 87.394 746 2HB ALA 105 2HB ALA 105 51.320 91.341 88.232 747 3HB ALA 105 3HB ALA 105 52.412 92.371 89.157 748 H ASP 106 H ASP 106 48.777 91.848 88.553 749 HA ASP 106 HA ASP 106 47.413 93.168 90.704 750 1HB ASP 106 1HB ASP 106 46.539 91.447 89.059 751 2HB ASP 106 2HB ASP 106 47.395 90.218 89.992 752 H ASP 107 H ASP 107 50.022 90.791 90.653 753 HA ASP 107 HA ASP 107 49.848 90.080 93.463 754 1HB ASP 107 1HB ASP 107 51.952 89.812 91.303 755 2HB ASP 107 2HB ASP 107 52.144 89.128 92.918 756 H GLY 108 H GLY 108 50.988 92.906 91.888 757 1HA GLY 108 1HA GLY 108 51.685 94.813 93.243 758 2HA GLY 108 2HA GLY 108 52.427 93.685 94.376 759 H THR 109 H THR 109 53.313 92.356 91.544 760 HA THR 109 HA THR 109 56.040 93.108 91.673 761 HB THR 109 HB THR 109 54.446 92.190 89.258 762 HG1 THR 109 HG1 THR 109 54.376 90.292 90.170 763 1HG2 THR 109 1HG2 THR 109 57.347 91.794 90.040 764 2HG2 THR 109 2HG2 THR 109 56.766 92.870 88.770 765 3HG2 THR 109 3HG2 THR 109 56.570 91.125 88.606 766 H GLU 110 H GLU 110 57.163 94.883 90.810 767 HA GLU 110 HA GLU 110 55.534 96.924 89.378 768 1HB GLU 110 1HB GLU 110 58.195 96.988 90.835 769 2HB GLU 110 2HB GLU 110 57.476 98.395 90.050 770 1HG GLU 110 1HG GLU 110 56.094 96.762 92.198 771 2HG GLU 110 2HG GLU 110 56.977 98.258 92.508 772 H PHE 111 H PHE 111 56.059 97.602 87.316 773 HA PHE 111 HA PHE 111 58.621 97.003 86.037 774 1HB PHE 111 1HB PHE 111 57.761 95.380 84.449 775 2HB PHE 111 2HB PHE 111 57.376 94.808 86.069 776 HD1 PHE 111 HD1 PHE 111 56.024 96.175 82.937 777 HD2 PHE 111 HD2 PHE 111 55.065 94.869 86.915 778 HE1 PHE 111 HE1 PHE 111 53.623 96.089 82.329 779 HE2 PHE 111 HE2 PHE 111 52.662 94.786 86.305 780 HZ PHE 111 HZ PHE 111 51.941 95.396 84.014 781 H ILE 112 H ILE 112 58.921 98.284 84.238 782 HA ILE 112 HA ILE 112 56.766 100.258 83.660 783 HB ILE 112 HB ILE 112 59.740 100.195 83.042 784 1HG1 ILE 112 1HG1 ILE 112 58.242 101.842 85.102 785 2HG1 ILE 112 2HG1 ILE 112 59.059 100.325 85.485 786 1HG2 ILE 112 1HG2 ILE 112 59.394 102.642 82.621 787 2HG2 ILE 112 2HG2 ILE 112 57.656 102.381 82.764 788 3HG2 ILE 112 3HG2 ILE 112 58.558 101.614 81.456 789 1HD1 ILE 112 1HD1 ILE 112 60.651 102.334 83.978 790 2HD1 ILE 112 2HD1 ILE 112 61.151 101.238 85.266 791 3HD1 ILE 112 3HD1 ILE 112 60.287 102.724 85.660 792 H ALA 113 H ALA 113 56.326 100.822 81.421 793 HA ALA 113 HA ALA 113 56.970 98.655 79.449 794 1HB ALA 113 1HB ALA 113 54.664 99.593 78.520 795 2HB ALA 113 2HB ALA 113 54.467 100.147 80.183 796 3HB ALA 113 3HB ALA 113 54.675 98.429 79.844 797 HA PRO 114 HA PRO 114 58.922 102.472 77.852 798 1HB PRO 114 1HB PRO 114 60.298 101.235 75.855 799 2HB PRO 114 2HB PRO 114 60.887 101.304 77.529 800 1HG PRO 114 1HG PRO 114 59.507 99.085 76.100 801 2HG PRO 114 2HG PRO 114 60.876 99.025 77.223 802 1HD PRO 114 1HD PRO 114 58.355 98.408 77.970 803 2HD PRO 114 2HD PRO 114 59.533 99.138 79.081 804 H ILE 115 H ILE 115 58.342 103.739 76.224 805 HA ILE 115 HA ILE 115 56.303 102.730 74.261 806 HB ILE 115 HB ILE 115 56.940 105.538 75.232 807 1HG1 ILE 115 1HG1 ILE 115 54.592 103.776 75.991 808 2HG1 ILE 115 2HG1 ILE 115 56.035 103.944 76.992 809 1HG2 ILE 115 1HG2 ILE 115 54.607 104.417 73.654 810 2HG2 ILE 115 2HG2 ILE 115 55.883 105.452 73.013 811 3HG2 ILE 115 3HG2 ILE 115 54.755 106.083 74.213 812 1HD1 ILE 115 1HD1 ILE 115 55.649 106.455 76.931 813 2HD1 ILE 115 2HD1 ILE 115 54.442 105.532 77.827 814 3HD1 ILE 115 3HD1 ILE 115 54.079 106.115 76.203 815 H ALA 116 H ALA 116 57.037 102.530 72.209 816 HA ALA 116 HA ALA 116 59.617 103.059 71.258 817 1HB ALA 116 1HB ALA 116 57.869 101.656 70.197 818 2HB ALA 116 2HB ALA 116 58.581 102.787 69.046 819 3HB ALA 116 3HB ALA 116 56.992 103.116 69.739 820 H ALA 117 H ALA 117 60.540 104.786 70.036 821 HA ALA 117 HA ALA 117 59.368 107.449 70.560 822 1HB ALA 117 1HB ALA 117 61.955 106.748 69.159 823 2HB ALA 117 2HB ALA 117 61.802 106.673 70.915 824 3HB ALA 117 3HB ALA 117 61.575 108.207 70.075 825 H PHE 118 H PHE 118 58.089 108.374 69.023 826 HA PHE 118 HA PHE 118 58.439 107.553 66.163 827 1HB PHE 118 1HB PHE 118 56.067 108.292 65.947 828 2HB PHE 118 2HB PHE 118 56.249 107.022 67.151 829 HD1 PHE 118 HD1 PHE 118 55.923 107.467 69.518 830 HD2 PHE 118 HD2 PHE 118 55.658 110.627 66.621 831 HE1 PHE 118 HE1 PHE 118 54.891 108.943 71.223 832 HE2 PHE 118 HE2 PHE 118 54.628 112.103 68.328 833 HZ PHE 118 HZ PHE 118 54.245 111.262 70.628 834 H VAL 119 H VAL 119 58.023 109.427 64.583 835 HA VAL 119 HA VAL 119 59.112 111.963 65.755 836 HB VAL 119 HB VAL 119 59.387 110.748 62.983 837 1HG1 VAL 119 1HG1 VAL 119 59.458 113.201 62.924 838 2HG1 VAL 119 2HG1 VAL 119 61.073 112.545 62.652 839 3HG1 VAL 119 3HG1 VAL 119 60.647 113.213 64.227 840 1HG2 VAL 119 1HG2 VAL 119 61.192 110.857 65.404 841 2HG2 VAL 119 2HG2 VAL 119 61.845 110.644 63.780 842 3HG2 VAL 119 3HG2 VAL 119 60.731 109.449 64.447 843 H LEU 120 H LEU 120 58.271 113.933 64.916 844 HA LEU 120 HA LEU 120 55.575 113.705 63.609 845 1HB LEU 120 1HB LEU 120 56.783 115.698 65.555 846 2HB LEU 120 2HB LEU 120 55.240 115.957 64.747 847 HG LEU 120 HG LEU 120 54.515 113.698 65.705 848 1HD1 LEU 120 1HD1 LEU 120 55.986 113.509 68.008 849 2HD1 LEU 120 2HD1 LEU 120 57.228 113.966 66.844 850 3HD1 LEU 120 3HD1 LEU 120 56.258 112.520 66.574 851 1HD2 LEU 120 1HD2 LEU 120 55.083 115.456 68.029 852 2HD2 LEU 120 2HD2 LEU 120 53.546 114.818 67.450 853 3HD2 LEU 120 3HD2 LEU 120 54.265 116.225 66.668 854 H SER 121 H SER 121 55.318 114.747 61.670 855 HA SER 121 HA SER 121 57.135 116.941 60.871 856 1HB SER 121 1HB SER 121 56.956 114.280 59.424 857 2HB SER 121 2HB SER 121 57.853 115.685 58.856 858 HG SER 121 HG SER 121 58.790 113.834 60.351 Start of MODEL 19 1 H ARG 6 1H ARG 6 55.507 85.880 81.144 2 HA ARG 6 HA ARG 6 53.366 86.388 82.026 3 1HB ARG 6 1HB ARG 6 55.327 86.937 84.270 4 2HB ARG 6 2HB ARG 6 53.581 86.862 84.519 5 1HG ARG 6 1HG ARG 6 53.549 84.567 83.612 6 2HG ARG 6 2HG ARG 6 55.294 84.639 83.367 7 1HD ARG 6 1HD ARG 6 55.632 84.957 85.798 8 2HD ARG 6 2HD ARG 6 53.877 84.873 86.047 9 HE ARG 6 HE ARG 6 54.832 82.598 84.526 10 1HH1 ARG 6 2HH1 ARG 6 52.711 82.436 86.622 11 2HH1 ARG 6 1HH1 ARG 6 53.519 81.589 87.898 12 1HH2 ARG 6 1HH2 ARG 6 56.694 82.161 86.627 13 2HH2 ARG 6 2HH2 ARG 6 55.773 81.433 87.901 14 H TYR 7 H TYR 7 55.764 88.918 81.971 15 HA TYR 7 HA TYR 7 53.601 90.975 82.292 16 1HB TYR 7 1HB TYR 7 56.588 91.089 82.837 17 2HB TYR 7 2HB TYR 7 55.469 92.434 83.058 18 HD1 TYR 7 HD1 TYR 7 53.168 91.494 84.350 19 HD2 TYR 7 HD2 TYR 7 57.196 90.085 84.843 20 HE1 TYR 7 HE1 TYR 7 52.596 90.647 86.609 21 HE2 TYR 7 HE2 TYR 7 56.623 89.237 87.102 22 HH TYR 7 HH TYR 7 54.643 88.545 88.356 23 H ARG 8 H ARG 8 53.034 91.448 80.187 24 HA ARG 8 HA ARG 8 55.133 92.566 78.386 25 1HB ARG 8 1HB ARG 8 53.293 90.222 77.855 26 2HB ARG 8 2HB ARG 8 54.016 91.154 76.543 27 1HG ARG 8 1HG ARG 8 56.266 90.677 77.437 28 2HG ARG 8 2HG ARG 8 55.546 89.741 78.747 29 1HD ARG 8 1HD ARG 8 54.562 88.176 77.102 30 2HD ARG 8 2HD ARG 8 55.294 89.112 75.783 31 HE ARG 8 HE ARG 8 57.438 88.298 76.436 32 1HH1 ARG 8 1HH2 ARG 8 55.432 86.027 77.376 33 2HH1 ARG 8 2HH2 ARG 8 56.202 85.588 78.865 34 1HH2 ARG 8 2HH1 ARG 8 58.249 88.387 78.938 35 2HH2 ARG 8 1HH1 ARG 8 57.797 86.925 79.749 36 H VAL 9 H VAL 9 54.380 94.387 77.416 37 HA VAL 9 HA VAL 9 51.484 94.768 76.873 38 HB VAL 9 HB VAL 9 53.141 96.530 78.720 39 1HG1 VAL 9 1HG1 VAL 9 51.590 97.848 77.347 40 2HG1 VAL 9 2HG1 VAL 9 51.014 97.781 79.013 41 3HG1 VAL 9 3HG1 VAL 9 50.265 96.767 77.779 42 1HG2 VAL 9 1HG2 VAL 9 51.261 95.859 80.339 43 2HG2 VAL 9 2HG2 VAL 9 52.452 94.615 79.962 44 3HG2 VAL 9 3HG2 VAL 9 50.869 94.587 79.184 45 H GLU 10 H GLU 10 51.530 95.414 74.791 46 HA GLU 10 HA GLU 10 53.723 97.209 73.762 47 1HB GLU 10 1HB GLU 10 53.331 94.965 72.723 48 2HB GLU 10 2HB GLU 10 51.667 95.447 72.391 49 1HG GLU 10 1HG GLU 10 52.485 97.337 71.028 50 2HG GLU 10 2HG GLU 10 54.148 96.854 71.356 51 H VAL 11 H VAL 11 53.219 99.257 73.394 52 HA VAL 11 HA VAL 11 50.327 100.010 73.130 53 HB VAL 11 HB VAL 11 52.693 101.548 74.261 54 1HG1 VAL 11 1HG1 VAL 11 49.890 102.281 73.587 55 2HG1 VAL 11 2HG1 VAL 11 51.333 103.293 73.650 56 3HG1 VAL 11 3HG1 VAL 11 50.495 102.858 75.139 57 1HG2 VAL 11 1HG2 VAL 11 52.145 99.889 75.855 58 2HG2 VAL 11 2HG2 VAL 11 50.421 99.991 75.499 59 3HG2 VAL 11 3HG2 VAL 11 51.216 101.293 76.383 60 H GLU 12 H GLU 12 49.789 101.268 71.309 61 HA GLU 12 HA GLU 12 52.046 102.135 69.519 62 1HB GLU 12 1HB GLU 12 49.339 100.892 68.955 63 2HB GLU 12 2HB GLU 12 50.352 101.607 67.700 64 1HG GLU 12 1HG GLU 12 52.179 100.055 68.283 65 2HG GLU 12 2HG GLU 12 51.167 99.335 69.536 66 H VAL 13 H VAL 13 51.934 104.246 68.827 67 HA VAL 13 HA VAL 13 49.409 105.786 69.341 68 HB VAL 13 HB VAL 13 52.290 106.627 69.815 69 1HG1 VAL 13 1HG1 VAL 13 51.191 108.626 69.341 70 2HG1 VAL 13 2HG1 VAL 13 50.936 108.501 71.081 71 3HG1 VAL 13 3HG1 VAL 13 49.647 108.045 69.968 72 1HG2 VAL 13 1HG2 VAL 13 51.727 105.123 71.565 73 2HG2 VAL 13 2HG2 VAL 13 50.070 105.719 71.655 74 3HG2 VAL 13 3HG2 VAL 13 51.400 106.720 72.239 75 H SER 14 H SER 14 48.768 107.096 67.674 76 HA SER 14 HA SER 14 50.661 107.423 65.372 77 1HB SER 14 1HB SER 14 48.907 105.747 64.963 78 2HB SER 14 2HB SER 14 47.667 106.919 65.400 79 HG SER 14 HG SER 14 48.158 106.648 63.083 80 HA PRO 15 HA PRO 15 49.321 111.658 66.355 81 1HB PRO 15 1HB PRO 15 51.580 112.911 65.504 82 2HB PRO 15 2HB PRO 15 51.458 112.158 67.107 83 1HG PRO 15 1HG PRO 15 52.759 111.144 64.634 84 2HG PRO 15 2HG PRO 15 53.286 111.022 66.320 85 1HD PRO 15 1HD PRO 15 52.108 108.976 64.966 86 2HD PRO 15 2HD PRO 15 52.002 109.178 66.727 87 H ARG 16 H ARG 16 49.018 113.571 64.985 88 HA ARG 16 HA ARG 16 49.339 113.300 62.064 89 1HB ARG 16 1HB ARG 16 46.878 113.389 61.692 90 2HB ARG 16 2HB ARG 16 47.356 111.923 62.546 91 1HG ARG 16 1HG ARG 16 46.792 113.065 64.705 92 2HG ARG 16 2HG ARG 16 46.173 114.429 63.775 93 1HD ARG 16 1HD ARG 16 44.480 113.025 62.732 94 2HD ARG 16 2HD ARG 16 45.166 111.575 63.492 95 HE ARG 16 HE ARG 16 43.925 113.831 65.023 96 1HH1 ARG 16 2HH1 ARG 16 42.582 111.116 64.568 97 2HH1 ARG 16 1HH1 ARG 16 42.911 110.331 66.078 98 1HH2 ARG 16 1HH2 ARG 16 45.372 112.586 67.016 99 2HH2 ARG 16 2HH2 ARG 16 44.491 111.164 67.463 100 H PHE 17 H PHE 17 49.598 115.281 61.225 101 HA PHE 17 HA PHE 17 49.753 117.659 62.766 102 1HB PHE 17 1HB PHE 17 50.868 117.174 60.605 103 2HB PHE 17 2HB PHE 17 49.311 117.305 59.788 104 HD1 PHE 17 HD1 PHE 17 51.667 119.209 61.983 105 HD2 PHE 17 HD2 PHE 17 48.503 119.404 59.083 106 HE1 PHE 17 HE1 PHE 17 51.947 121.668 61.842 107 HE2 PHE 17 HE2 PHE 17 48.784 121.864 58.943 108 HZ PHE 17 HZ PHE 17 50.507 122.996 60.322 109 H LEU 18 H LEU 18 48.285 119.300 63.194 110 HA LEU 18 HA LEU 18 45.476 119.003 62.141 111 1HB LEU 18 1HB LEU 18 46.590 120.006 64.780 112 2HB LEU 18 2HB LEU 18 44.903 120.189 64.311 113 HG LEU 18 HG LEU 18 46.353 117.533 64.474 114 1HD1 LEU 18 1HD1 LEU 18 46.124 117.947 66.715 115 2HD1 LEU 18 2HD1 LEU 18 44.459 117.447 66.412 116 3HD1 LEU 18 3HD1 LEU 18 44.869 119.161 66.467 117 1HD2 LEU 18 1HD2 LEU 18 43.607 118.428 63.688 118 2HD2 LEU 18 2HD2 LEU 18 43.760 116.905 64.564 119 3HD2 LEU 18 3HD2 LEU 18 44.592 117.125 63.025 120 H ALA 19 H ALA 19 46.180 120.271 60.312 121 HA ALA 19 HA ALA 19 47.136 123.009 60.428 122 1HB ALA 19 1HB ALA 19 45.306 121.989 58.300 123 2HB ALA 19 2HB ALA 19 46.848 121.164 58.532 124 3HB ALA 19 3HB ALA 19 46.818 122.885 58.149 125 H HIS 20 H HIS 20 43.858 121.591 60.460 126 HA HIS 20 HA HIS 20 42.484 124.109 60.142 127 1HB HIS 20 1HB HIS 20 41.572 121.825 59.672 128 2HB HIS 20 2HB HIS 20 41.553 121.510 61.407 129 HD1 HIS 20 HD1 HIS 20 40.283 124.328 59.149 130 HD2 HIS 20 HD2 HIS 20 39.068 122.076 62.442 131 HE1 HIS 20 HE1 HIS 20 37.962 125.142 59.758 132 H GLN 21 H GLN 21 43.871 122.489 62.921 133 HA GLN 21 HA GLN 21 42.661 124.590 64.696 134 1HB GLN 21 1HB GLN 21 41.981 122.132 64.942 135 2HB GLN 21 2HB GLN 21 43.628 121.838 65.498 136 1HG GLN 21 1HG GLN 21 42.284 122.210 67.458 137 2HG GLN 21 2HG GLN 21 43.265 123.657 67.224 138 1HE2 GLN 21 1HE2 GLN 21 42.133 125.610 67.150 139 2HE2 GLN 21 2HE2 GLN 21 40.462 125.751 66.891 140 H SER 22 H SER 22 45.026 125.260 63.369 141 HA SER 22 HA SER 22 46.849 125.699 65.594 142 1HB SER 22 1HB SER 22 48.632 124.271 64.878 143 2HB SER 22 2HB SER 22 47.179 123.276 64.858 144 HG SER 22 HG SER 22 47.984 122.926 62.894 145 H THR 23 H THR 23 48.440 127.279 65.064 146 HA THR 23 HA THR 23 48.275 128.411 62.287 147 HB THR 23 HB THR 23 47.211 129.850 63.957 148 HG1 THR 23 HG1 THR 23 48.352 131.651 63.500 149 1HG2 THR 23 1HG2 THR 23 49.354 128.902 65.627 150 2HG2 THR 23 2HG2 THR 23 47.923 129.820 66.087 151 3HG2 THR 23 3HG2 THR 23 49.387 130.662 65.583 152 HA PRO 24 HA PRO 24 52.549 126.936 62.950 153 1HB PRO 24 1HB PRO 24 53.173 126.679 60.303 154 2HB PRO 24 2HB PRO 24 52.322 125.425 61.226 155 1HG PRO 24 1HG PRO 24 51.229 127.462 59.355 156 2HG PRO 24 2HG PRO 24 50.785 125.759 59.556 157 1HD PRO 24 1HD PRO 24 49.323 127.797 60.582 158 2HD PRO 24 2HD PRO 24 49.405 126.188 61.329 159 H ASP 25 H ASP 25 51.310 129.570 60.959 160 HA ASP 25 HA ASP 25 53.842 130.751 60.300 161 1HB ASP 25 1HB ASP 25 52.420 132.749 59.806 162 2HB ASP 25 2HB ASP 25 51.742 131.267 59.134 163 H GLU 26 H GLU 26 52.021 130.732 63.268 164 HA GLU 26 HA GLU 26 53.654 132.998 64.342 165 1HB GLU 26 1HB GLU 26 51.098 131.610 65.175 166 2HB GLU 26 2HB GLU 26 51.916 132.777 66.213 167 1HG GLU 26 1HG GLU 26 51.765 134.476 64.429 168 2HG GLU 26 2HG GLU 26 50.943 133.311 63.391 169 H GLY 27 H GLY 27 54.495 130.047 63.943 170 1HA GLY 27 1HA GLY 27 55.887 128.557 65.104 171 2HA GLY 27 2HA GLY 27 56.022 129.781 66.367 172 H ARG 28 H ARG 28 52.903 128.598 65.357 173 HA ARG 28 HA ARG 28 52.663 127.091 67.942 174 1HB ARG 28 1HB ARG 28 51.046 129.190 66.605 175 2HB ARG 28 2HB ARG 28 50.129 127.886 67.363 176 1HG ARG 28 1HG ARG 28 51.348 128.261 69.478 177 2HG ARG 28 2HG ARG 28 52.258 129.567 68.721 178 1HD ARG 28 1HD ARG 28 50.158 130.812 68.321 179 2HD ARG 28 2HD ARG 28 49.241 129.503 69.091 180 HE ARG 28 HE ARG 28 50.482 129.981 71.187 181 1HH1 ARG 28 2HH1 ARG 28 49.310 132.522 69.510 182 2HH1 ARG 28 1HH1 ARG 28 50.418 133.712 70.106 183 1HH2 ARG 28 1HH2 ARG 28 52.536 131.391 71.573 184 2HH2 ARG 28 2HH2 ARG 28 52.245 133.072 71.273 185 H TYR 29 H TYR 29 53.040 125.019 67.005 186 HA TYR 29 HA TYR 29 51.205 124.162 64.797 187 1HB TYR 29 1HB TYR 29 53.689 122.864 65.976 188 2HB TYR 29 2HB TYR 29 52.839 122.349 64.523 189 HD1 TYR 29 HD1 TYR 29 54.877 125.066 66.016 190 HD2 TYR 29 HD2 TYR 29 53.166 123.459 62.419 191 HE1 TYR 29 HE1 TYR 29 56.238 126.639 64.666 192 HE2 TYR 29 HE2 TYR 29 54.527 125.034 61.069 193 HH TYR 29 HH TYR 29 56.953 126.319 61.642 194 H ALA 30 H ALA 30 49.667 122.622 65.227 195 HA ALA 30 HA ALA 30 49.563 121.571 68.029 196 1HB ALA 30 1HB ALA 30 47.215 121.736 66.150 197 2HB ALA 30 2HB ALA 30 47.805 123.188 66.957 198 3HB ALA 30 3HB ALA 30 47.229 121.822 67.911 199 H PHE 31 H PHE 31 49.979 119.407 68.188 200 HA PHE 31 HA PHE 31 49.323 117.638 65.850 201 1HB PHE 31 1HB PHE 31 51.477 117.540 67.983 202 2HB PHE 31 2HB PHE 31 51.155 116.202 66.883 203 HD1 PHE 31 HD1 PHE 31 52.310 119.711 67.118 204 HD2 PHE 31 HD2 PHE 31 51.779 116.304 64.556 205 HE1 PHE 31 HE1 PHE 31 53.712 120.793 65.385 206 HE2 PHE 31 HE2 PHE 31 53.179 117.390 62.822 207 HZ PHE 31 HZ PHE 31 54.147 119.636 63.236 208 H ALA 32 H ALA 32 47.811 116.014 66.286 209 HA ALA 32 HA ALA 32 47.085 115.521 69.158 210 1HB ALA 32 1HB ALA 32 45.605 115.698 66.551 211 2HB ALA 32 2HB ALA 32 45.176 116.379 68.121 212 3HB ALA 32 3HB ALA 32 44.961 114.656 67.818 213 H TYR 33 H TYR 33 47.449 113.420 69.872 214 HA TYR 33 HA TYR 33 47.936 111.353 67.750 215 1HB TYR 33 1HB TYR 33 49.713 110.472 69.229 216 2HB TYR 33 2HB TYR 33 50.014 112.146 68.775 217 HD1 TYR 33 HD1 TYR 33 49.084 109.868 71.506 218 HD2 TYR 33 HD2 TYR 33 49.770 113.962 70.404 219 HE1 TYR 33 HE1 TYR 33 49.197 110.495 73.903 220 HE2 TYR 33 HE2 TYR 33 49.880 114.588 72.799 221 HH TYR 33 HH TYR 33 48.726 113.135 75.138 222 H SER 34 H SER 34 47.145 109.270 68.158 223 HA SER 34 HA SER 34 45.201 109.045 70.416 224 1HB SER 34 1HB SER 34 44.406 108.738 68.091 225 2HB SER 34 2HB SER 34 45.602 107.469 67.847 226 HG SER 34 HG SER 34 44.569 106.324 69.562 227 H ILE 35 H ILE 35 45.473 107.430 71.950 228 HA ILE 35 HA ILE 35 48.061 105.896 71.901 229 HB ILE 35 HB ILE 35 46.115 106.652 74.097 230 1HG1 ILE 35 1HG1 ILE 35 47.264 108.606 73.118 231 2HG1 ILE 35 2HG1 ILE 35 47.877 108.279 74.736 232 1HG2 ILE 35 1HG2 ILE 35 47.293 104.682 74.781 233 2HG2 ILE 35 2HG2 ILE 35 48.121 106.036 75.548 234 3HG2 ILE 35 3HG2 ILE 35 48.813 105.277 74.115 235 1HD1 ILE 35 1HD1 ILE 35 49.818 108.663 73.421 236 2HD1 ILE 35 2HD1 ILE 35 49.203 107.687 72.088 237 3HD1 ILE 35 3HD1 ILE 35 49.725 106.910 73.583 238 H ARG 36 H ARG 36 48.033 103.755 71.712 239 HA ARG 36 HA ARG 36 45.467 102.255 72.161 240 1HB ARG 36 1HB ARG 36 47.678 101.952 70.108 241 2HB ARG 36 2HB ARG 36 46.424 100.735 70.354 242 1HG ARG 36 1HG ARG 36 44.687 102.420 69.873 243 2HG ARG 36 2HG ARG 36 45.939 103.638 69.623 244 1HD ARG 36 1HD ARG 36 46.846 102.377 67.728 245 2HD ARG 36 2HD ARG 36 45.666 101.079 68.004 246 HE ARG 36 HE ARG 36 43.964 102.487 67.126 247 1HH1 ARG 36 2HH1 ARG 36 46.737 103.671 65.979 248 2HH1 ARG 36 1HH1 ARG 36 46.298 105.347 65.969 249 1HH2 ARG 36 1HH2 ARG 36 43.444 104.883 67.884 250 2HH2 ARG 36 2HH2 ARG 36 44.433 106.033 67.048 251 H ILE 37 H ILE 37 45.938 101.536 74.244 252 HA ILE 37 HA ILE 37 48.537 100.230 74.871 253 HB ILE 37 HB ILE 37 46.044 100.810 76.502 254 1HG1 ILE 37 1HG1 ILE 37 48.696 102.281 76.485 255 2HG1 ILE 37 2HG1 ILE 37 47.298 102.808 75.545 256 1HG2 ILE 37 1HG2 ILE 37 47.597 98.968 77.322 257 2HG2 ILE 37 2HG2 ILE 37 47.390 100.321 78.433 258 3HG2 ILE 37 3HG2 ILE 37 48.854 100.198 77.458 259 1HD1 ILE 37 1HD1 ILE 37 47.750 102.902 78.479 260 2HD1 ILE 37 2HD1 ILE 37 46.122 102.471 77.959 261 3HD1 ILE 37 3HD1 ILE 37 46.836 103.999 77.445 262 H GLN 38 H GLN 38 48.722 98.080 74.397 263 HA GLN 38 HA GLN 38 46.288 96.334 74.673 264 1HB GLN 38 1HB GLN 38 47.156 96.606 72.353 265 2HB GLN 38 2HB GLN 38 48.743 96.059 72.895 266 1HG GLN 38 1HG GLN 38 47.770 93.893 73.570 267 2HG GLN 38 2HG GLN 38 46.183 94.437 73.025 268 1HE2 GLN 38 1HE2 GLN 38 45.769 93.337 71.095 269 2HE2 GLN 38 2HE2 GLN 38 46.866 93.201 69.807 270 H ASN 39 H ASN 39 46.442 94.703 76.103 271 HA ASN 39 HA ASN 39 48.958 94.450 77.634 272 1HB ASN 39 1HB ASN 39 46.747 94.799 78.737 273 2HB ASN 39 2HB ASN 39 46.200 93.255 78.085 274 1HD2 ASN 39 1HD2 ASN 39 46.167 93.466 80.838 275 2HD2 ASN 39 2HD2 ASN 39 47.437 92.573 81.525 276 H ALA 40 H ALA 40 50.385 92.849 77.012 277 HA ALA 40 HA ALA 40 49.266 90.343 75.790 278 1HB ALA 40 1HB ALA 40 50.587 91.729 74.246 279 2HB ALA 40 2HB ALA 40 51.473 90.252 74.625 280 3HB ALA 40 3HB ALA 40 51.919 91.771 75.401 281 H GLY 41 H GLY 41 50.115 91.263 78.710 282 1HA GLY 41 1HA GLY 41 52.251 89.347 79.317 283 2HA GLY 41 2HA GLY 41 51.393 90.350 80.487 284 H ALA 42 H ALA 42 51.642 87.933 81.434 285 HA ALA 42 HA ALA 42 49.430 86.185 80.557 286 1HB ALA 42 1HB ALA 42 51.407 85.821 82.816 287 2HB ALA 42 2HB ALA 42 51.801 85.457 81.135 288 3HB ALA 42 3HB ALA 42 50.519 84.564 81.954 289 H VAL 43 H VAL 43 50.391 88.221 83.247 290 HA VAL 43 HA VAL 43 47.850 87.593 84.701 291 HB VAL 43 HB VAL 43 50.478 88.889 85.528 292 1HG1 VAL 43 1HG1 VAL 43 49.670 88.956 87.767 293 2HG1 VAL 43 2HG1 VAL 43 48.254 87.984 87.364 294 3HG1 VAL 43 3HG1 VAL 43 48.378 89.646 86.783 295 1HG2 VAL 43 1HG2 VAL 43 50.986 86.829 86.610 296 2HG2 VAL 43 2HG2 VAL 43 50.390 86.377 85.013 297 3HG2 VAL 43 3HG2 VAL 43 49.336 86.236 86.420 298 HA PRO 44 HA PRO 44 46.101 91.430 83.449 299 1HB PRO 44 1HB PRO 44 44.742 92.157 85.722 300 2HB PRO 44 2HB PRO 44 44.154 90.935 84.573 301 1HG PRO 44 1HG PRO 44 45.647 90.549 87.134 302 2HG PRO 44 2HG PRO 44 44.206 89.704 86.536 303 1HD PRO 44 1HD PRO 44 46.593 88.573 86.330 304 2HD PRO 44 2HD PRO 44 45.418 88.438 85.007 305 H ALA 45 H ALA 45 46.615 93.633 83.625 306 HA ALA 45 HA ALA 45 48.400 94.485 85.884 307 1HB ALA 45 1HB ALA 45 49.785 95.557 84.042 308 2HB ALA 45 2HB ALA 45 48.839 94.610 82.896 309 3HB ALA 45 3HB ALA 45 49.838 93.797 84.101 310 H ARG 46 H ARG 46 48.359 96.701 86.315 311 HA ARG 46 HA ARG 46 46.297 98.344 84.872 312 1HB ARG 46 1HB ARG 46 45.667 97.426 87.152 313 2HB ARG 46 2HB ARG 46 46.998 98.365 87.827 314 1HG ARG 46 1HG ARG 46 45.877 100.377 86.593 315 2HG ARG 46 2HG ARG 46 44.448 99.344 86.569 316 1HD ARG 46 1HD ARG 46 45.057 99.020 89.145 317 2HD ARG 46 2HD ARG 46 45.826 100.603 88.908 318 HE ARG 46 HE ARG 46 43.483 101.111 87.735 319 1HH1 ARG 46 1HH2 ARG 46 43.831 101.798 90.650 320 2HH1 ARG 46 2HH2 ARG 46 42.455 101.023 91.362 321 1HH2 ARG 46 2HH1 ARG 46 41.832 99.009 88.610 322 2HH2 ARG 46 1HH1 ARG 46 41.324 99.444 90.207 323 H LEU 47 H LEU 47 46.810 100.618 84.727 324 HA LEU 47 HA LEU 47 49.728 101.193 84.944 325 1HB LEU 47 1HB LEU 47 48.304 101.509 82.841 326 2HB LEU 47 2HB LEU 47 47.518 102.842 83.688 327 HG LEU 47 HG LEU 47 50.522 102.707 83.457 328 1HD1 LEU 47 1HD1 LEU 47 48.501 103.445 81.391 329 2HD1 LEU 47 2HD1 LEU 47 50.118 102.772 81.190 330 3HD1 LEU 47 3HD1 LEU 47 49.914 104.487 81.547 331 1HD2 LEU 47 1HD2 LEU 47 49.902 105.304 83.437 332 2HD2 LEU 47 2HD2 LEU 47 50.007 104.401 84.949 333 3HD2 LEU 47 3HD2 LEU 47 48.434 104.712 84.215 334 H VAL 48 H VAL 48 50.378 102.241 86.785 335 HA VAL 48 HA VAL 48 48.381 103.838 88.306 336 HB VAL 48 HB VAL 48 51.145 102.783 89.005 337 1HG1 VAL 48 1HG1 VAL 48 50.687 104.694 90.391 338 2HG1 VAL 48 2HG1 VAL 48 50.338 103.268 91.367 339 3HG1 VAL 48 3HG1 VAL 48 49.018 104.186 90.644 340 1HG2 VAL 48 1HG2 VAL 48 49.208 101.130 88.596 341 2HG2 VAL 48 2HG2 VAL 48 48.474 101.820 90.043 342 3HG2 VAL 48 3HG2 VAL 48 50.039 101.016 90.147 343 H ALA 49 H ALA 49 51.451 104.189 86.557 344 HA ALA 49 HA ALA 49 51.169 107.139 86.934 345 1HB ALA 49 1HB ALA 49 53.385 105.318 87.743 346 2HB ALA 49 2HB ALA 49 52.773 106.767 88.542 347 3HB ALA 49 3HB ALA 49 53.833 106.913 87.139 348 H ARG 50 H ARG 50 52.564 108.383 85.433 349 HA ARG 50 HA ARG 50 53.403 106.992 82.906 350 1HB ARG 50 1HB ARG 50 52.038 108.547 81.619 351 2HB ARG 50 2HB ARG 50 51.008 107.685 82.758 352 1HG ARG 50 1HG ARG 50 51.284 109.653 84.335 353 2HG ARG 50 2HG ARG 50 52.057 110.515 83.005 354 1HD ARG 50 1HD ARG 50 50.013 110.160 81.617 355 2HD ARG 50 2HD ARG 50 49.231 109.394 83.014 356 HE ARG 50 HE ARG 50 49.453 111.539 84.222 357 1HH1 ARG 50 2HH1 ARG 50 48.030 111.989 81.498 358 2HH1 ARG 50 1HH1 ARG 50 48.767 113.481 81.014 359 1HH2 ARG 50 1HH2 ARG 50 51.339 113.269 83.330 360 2HH2 ARG 50 2HH2 ARG 50 50.640 114.205 82.051 361 H HIS 51 H HIS 51 55.140 107.933 81.962 362 HA HIS 51 HA HIS 51 56.019 110.657 82.812 363 1HB HIS 51 1HB HIS 51 57.056 108.985 84.314 364 2HB HIS 51 2HB HIS 51 57.655 108.096 82.916 365 HD1 HIS 51 HD1 HIS 51 60.107 108.561 83.863 366 HD2 HIS 51 HD2 HIS 51 58.013 111.950 82.638 367 HE1 HIS 51 HE1 HIS 51 61.815 110.419 83.648 368 H TRP 52 H TRP 52 56.183 111.720 80.892 369 HA TRP 52 HA TRP 52 56.978 110.242 78.426 370 1HB TRP 52 1HB TRP 52 55.719 112.917 79.064 371 2HB TRP 52 2HB TRP 52 56.199 112.464 77.430 372 HD1 TRP 52 HD1 TRP 52 53.394 112.199 79.795 373 HE1 TRP 52 HE1 TRP 52 51.623 110.540 78.928 374 HE3 TRP 52 HE3 TRP 52 56.042 109.966 76.044 375 HZ2 TRP 52 HZ2 TRP 52 51.364 108.532 76.909 376 HZ3 TRP 52 HZ3 TRP 52 55.009 108.184 74.665 377 HH2 TRP 52 HH2 TRP 52 52.676 107.465 75.093 378 H GLN 53 H GLN 53 58.968 110.557 77.517 379 HA GLN 53 HA GLN 53 60.697 112.779 78.567 380 1HB GLN 53 1HB GLN 53 61.329 110.404 79.077 381 2HB GLN 53 2HB GLN 53 61.451 110.105 77.343 382 1HG GLN 53 1HG GLN 53 63.238 111.705 77.114 383 2HG GLN 53 2HG GLN 53 63.016 112.269 78.770 384 1HE2 GLN 53 1HE2 GLN 53 65.525 111.188 77.774 385 2HE2 GLN 53 2HE2 GLN 53 65.838 109.754 78.628 386 H ILE 54 H ILE 54 59.538 114.079 76.792 387 HA ILE 54 HA ILE 54 60.139 113.362 74.001 388 HB ILE 54 HB ILE 54 58.743 115.256 73.496 389 1HG1 ILE 54 1HG1 ILE 54 58.802 115.985 76.440 390 2HG1 ILE 54 2HG1 ILE 54 59.731 116.819 75.199 391 1HG2 ILE 54 1HG2 ILE 54 56.708 114.664 74.694 392 2HG2 ILE 54 2HG2 ILE 54 57.649 113.893 75.970 393 3HG2 ILE 54 3HG2 ILE 54 57.632 113.202 74.348 394 1HD1 ILE 54 1HD1 ILE 54 57.554 117.220 73.972 395 2HD1 ILE 54 2HD1 ILE 54 57.719 118.083 75.502 396 3HD1 ILE 54 3HD1 ILE 54 56.724 116.630 75.412 397 H THR 55 H THR 55 61.831 114.055 72.836 398 HA THR 55 HA THR 55 63.462 116.370 73.843 399 HB THR 55 HB THR 55 64.457 114.045 72.158 400 HG1 THR 55 HG1 THR 55 63.846 113.019 73.963 401 1HG2 THR 55 1HG2 THR 55 66.541 114.917 72.487 402 2HG2 THR 55 2HG2 THR 55 66.175 115.441 74.130 403 3HG2 THR 55 3HG2 THR 55 65.642 116.410 72.756 404 H ASP 56 H ASP 56 63.639 118.029 72.469 405 HA ASP 56 HA ASP 56 62.243 117.819 69.901 406 1HB ASP 56 1HB ASP 56 62.108 119.673 71.701 407 2HB ASP 56 2HB ASP 56 63.652 120.228 71.062 408 H GLY 57 H GLY 57 63.282 118.956 67.982 409 1HA GLY 57 1HA GLY 57 65.673 117.638 67.201 410 2HA GLY 57 2HA GLY 57 64.939 118.980 66.337 411 H ASN 58 H ASN 58 65.463 120.319 69.305 412 HA ASN 58 HA ASN 58 68.130 121.344 68.449 413 1HB ASN 58 1HB ASN 58 65.944 122.372 70.286 414 2HB ASN 58 2HB ASN 58 67.508 123.171 70.120 415 1HD2 ASN 58 1HD2 ASN 58 68.049 123.130 67.441 416 2HD2 ASN 58 2HD2 ASN 58 66.816 123.885 66.550 417 H GLY 59 H GLY 59 67.108 118.891 70.316 418 1HA GLY 59 1HA GLY 59 68.551 117.635 71.771 419 2HA GLY 59 2HA GLY 59 69.468 119.106 72.090 420 H ARG 60 H ARG 60 67.028 120.696 72.678 421 HA ARG 60 HA ARG 60 66.879 120.269 75.506 422 1HB ARG 60 1HB ARG 60 65.735 121.996 73.438 423 2HB ARG 60 2HB ARG 60 64.571 121.655 74.716 424 1HG ARG 60 1HG ARG 60 65.591 123.277 75.911 425 2HG ARG 60 2HG ARG 60 66.936 122.156 76.109 426 1HD ARG 60 1HD ARG 60 67.723 124.330 75.204 427 2HD ARG 60 2HD ARG 60 67.954 123.040 74.008 428 HE ARG 60 HE ARG 60 65.338 124.283 73.768 429 1HH1 ARG 60 1HH2 ARG 60 68.105 126.005 73.690 430 2HH1 ARG 60 2HH2 ARG 60 68.114 126.337 71.990 431 1HH2 ARG 60 2HH1 ARG 60 65.586 124.076 71.267 432 2HH2 ARG 60 1HH1 ARG 60 66.689 125.244 70.618 433 H THR 61 H THR 61 65.360 119.156 76.766 434 HA THR 61 HA THR 61 63.217 117.673 75.307 435 HB THR 61 HB THR 61 65.161 116.213 75.665 436 HG1 THR 61 HG1 THR 61 63.614 114.846 75.986 437 1HG2 THR 61 1HG2 THR 61 64.858 117.112 78.537 438 2HG2 THR 61 2HG2 THR 61 66.273 117.277 77.498 439 3HG2 THR 61 3HG2 THR 61 65.786 115.684 78.076 440 H GLU 62 H GLU 62 61.345 117.167 76.630 441 HA GLU 62 HA GLU 62 61.213 118.709 79.203 442 1HB GLU 62 1HB GLU 62 59.993 119.632 77.194 443 2HB GLU 62 2HB GLU 62 59.010 118.168 77.191 444 1HG GLU 62 1HG GLU 62 57.812 119.902 78.403 445 2HG GLU 62 2HG GLU 62 58.342 118.673 79.552 446 H GLN 63 H GLN 63 60.854 117.406 80.925 447 HA GLN 63 HA GLN 63 59.741 114.657 80.515 448 1HB GLN 63 1HB GLN 63 61.330 116.045 82.685 449 2HB GLN 63 2HB GLN 63 60.713 114.400 82.843 450 1HG GLN 63 1HG GLN 63 61.953 113.736 80.816 451 2HG GLN 63 2HG GLN 63 62.575 115.380 80.658 452 1HE2 GLN 63 1HE2 GLN 63 63.905 112.639 81.353 453 2HE2 GLN 63 2HE2 GLN 63 64.829 112.997 82.731 454 H VAL 64 H VAL 64 57.734 114.164 81.332 455 HA VAL 64 HA VAL 64 56.477 116.082 83.270 456 HB VAL 64 HB VAL 64 55.237 114.629 80.902 457 1HG1 VAL 64 1HG1 VAL 64 53.310 116.248 81.486 458 2HG1 VAL 64 2HG1 VAL 64 54.100 116.421 83.053 459 3HG1 VAL 64 3HG1 VAL 64 53.521 114.840 82.526 460 1HG2 VAL 64 1HG2 VAL 64 56.632 116.475 80.161 461 2HG2 VAL 64 2HG2 VAL 64 55.938 117.543 81.381 462 3HG2 VAL 64 3HG2 VAL 64 54.946 116.974 80.039 463 H ASP 65 H ASP 65 55.672 115.130 85.061 464 HA ASP 65 HA ASP 65 55.300 112.147 85.086 465 1HB ASP 65 1HB ASP 65 57.344 113.085 86.240 466 2HB ASP 65 2HB ASP 65 56.257 113.954 87.325 467 H GLY 66 H GLY 66 53.228 111.576 85.621 468 1HA GLY 66 1HA GLY 66 51.706 113.228 87.545 469 2HA GLY 66 2HA GLY 66 50.993 113.027 85.943 470 H GLU 67 H GLU 67 50.044 112.012 88.587 471 HA GLU 67 HA GLU 67 50.458 109.122 88.590 472 1HB GLU 67 1HB GLU 67 48.755 109.235 90.394 473 2HB GLU 67 2HB GLU 67 50.018 110.442 90.624 474 1HG GLU 67 1HG GLU 67 48.616 112.215 89.928 475 2HG GLU 67 2HG GLU 67 47.469 111.122 89.156 476 H GLY 68 H GLY 68 48.777 107.539 88.125 477 1HA GLY 68 1HA GLY 68 47.159 106.600 86.722 478 2HA GLY 68 2HA GLY 68 46.203 108.019 87.139 479 H VAL 69 H VAL 69 45.543 107.386 84.792 480 HA VAL 69 HA VAL 69 47.145 109.056 82.865 481 HB VAL 69 HB VAL 69 46.353 107.374 81.144 482 1HG1 VAL 69 1HG1 VAL 69 47.917 105.496 82.219 483 2HG1 VAL 69 2HG1 VAL 69 48.282 106.804 83.345 484 3HG1 VAL 69 3HG1 VAL 69 48.574 107.018 81.618 485 1HG2 VAL 69 1HG2 VAL 69 44.496 106.440 82.560 486 2HG2 VAL 69 2HG2 VAL 69 45.716 105.688 83.588 487 3HG2 VAL 69 3HG2 VAL 69 45.561 105.199 81.901 488 H VAL 70 H VAL 70 46.022 110.647 82.048 489 HA VAL 70 HA VAL 70 44.255 112.145 81.764 490 HB VAL 70 HB VAL 70 42.696 111.329 80.079 491 1HG1 VAL 70 1HG1 VAL 70 45.404 111.296 79.820 492 2HG1 VAL 70 2HG1 VAL 70 44.282 111.005 78.491 493 3HG1 VAL 70 3HG1 VAL 70 45.009 109.644 79.343 494 1HG2 VAL 70 1HG2 VAL 70 43.637 108.523 80.736 495 2HG2 VAL 70 2HG2 VAL 70 42.395 108.988 79.577 496 3HG2 VAL 70 3HG2 VAL 70 42.115 109.210 81.300 497 H GLY 71 H GLY 71 44.165 110.969 84.356 498 1HA GLY 71 1HA GLY 71 42.693 111.290 86.170 499 2HA GLY 71 2HA GLY 71 41.393 111.587 85.029 500 H GLU 72 H GLU 72 43.085 108.617 84.486 501 HA GLU 72 HA GLU 72 41.171 107.115 86.215 502 1HB GLU 72 1HB GLU 72 40.417 105.783 84.262 503 2HB GLU 72 2HB GLU 72 40.018 107.493 84.096 504 1HG GLU 72 1HG GLU 72 41.885 107.851 82.621 505 2HG GLU 72 2HG GLU 72 42.491 106.222 82.899 506 H GLN 73 H GLN 73 41.749 104.973 86.640 507 HA GLN 73 HA GLN 73 44.563 104.175 85.926 508 1HB GLN 73 1HB GLN 73 42.790 103.764 88.352 509 2HB GLN 73 2HB GLN 73 44.326 102.927 88.129 510 1HG GLN 73 1HG GLN 73 45.549 104.995 88.116 511 2HG GLN 73 2HG GLN 73 44.061 105.940 88.039 512 1HE2 GLN 73 1HE2 GLN 73 42.584 105.756 90.001 513 2HE2 GLN 73 2HE2 GLN 73 43.293 105.480 91.518 514 HA PRO 74 HA PRO 74 41.417 101.280 84.008 515 1HB PRO 74 1HB PRO 74 42.967 100.617 81.858 516 2HB PRO 74 2HB PRO 74 41.872 102.015 81.876 517 1HG PRO 74 1HG PRO 74 44.817 101.914 82.295 518 2HG PRO 74 2HG PRO 74 43.844 103.089 81.395 519 1HD PRO 74 1HD PRO 74 44.802 103.574 83.879 520 2HD PRO 74 2HD PRO 74 43.281 104.267 83.279 521 H TRP 75 H TRP 75 41.423 99.112 84.382 522 HA TRP 75 HA TRP 75 43.924 97.822 85.396 523 1HB TRP 75 1HB TRP 75 41.566 98.023 86.575 524 2HB TRP 75 2HB TRP 75 41.135 96.689 85.506 525 HD1 TRP 75 HD1 TRP 75 43.737 97.593 88.203 526 HE1 TRP 75 HE1 TRP 75 44.519 95.415 89.335 527 HE3 TRP 75 HE3 TRP 75 41.246 94.170 85.346 528 HZ2 TRP 75 HZ2 TRP 75 44.138 92.592 89.066 529 HZ3 TRP 75 HZ3 TRP 75 41.473 91.745 85.807 530 HH2 TRP 75 HH2 TRP 75 42.914 90.953 87.662 531 H LEU 76 H LEU 76 44.590 97.691 83.023 532 HA LEU 76 HA LEU 76 43.141 96.266 81.045 533 1HB LEU 76 1HB LEU 76 45.941 97.093 81.577 534 2HB LEU 76 2HB LEU 76 45.725 95.825 80.370 535 HG LEU 76 HG LEU 76 44.266 98.484 80.356 536 1HD1 LEU 76 1HD1 LEU 76 46.585 97.475 78.684 537 2HD1 LEU 76 2HD1 LEU 76 46.663 98.759 79.891 538 3HD1 LEU 76 3HD1 LEU 76 45.721 98.989 78.417 539 1HD2 LEU 76 1HD2 LEU 76 44.140 95.988 78.729 540 2HD2 LEU 76 2HD2 LEU 76 44.052 97.515 77.853 541 3HD2 LEU 76 3HD2 LEU 76 42.866 97.148 79.105 542 H ARG 77 H ARG 77 42.483 94.196 81.088 543 HA ARG 77 HA ARG 77 43.836 92.169 82.758 544 1HB ARG 77 1HB ARG 77 41.357 92.345 81.032 545 2HB ARG 77 2HB ARG 77 41.894 90.802 81.695 546 1HG ARG 77 1HG ARG 77 42.029 92.335 83.926 547 2HG ARG 77 2HG ARG 77 40.714 93.149 83.079 548 1HD ARG 77 1HD ARG 77 40.823 90.161 83.637 549 2HD ARG 77 2HD ARG 77 39.845 91.335 84.540 550 HE ARG 77 HE ARG 77 38.955 91.911 82.112 551 1HH1 ARG 77 2HH1 ARG 77 40.514 89.216 81.479 552 2HH1 ARG 77 1HH1 ARG 77 39.154 88.159 81.293 553 1HH2 ARG 77 1HH2 ARG 77 36.894 90.387 82.691 554 2HH2 ARG 77 2HH2 ARG 77 37.105 88.822 81.979 555 HA PRO 78 HA PRO 78 46.367 90.494 79.581 556 1HB PRO 78 1HB PRO 78 45.810 87.811 79.558 557 2HB PRO 78 2HB PRO 78 46.820 88.582 80.797 558 1HG PRO 78 1HG PRO 78 43.947 87.807 80.917 559 2HG PRO 78 2HG PRO 78 45.213 87.638 82.144 560 1HD PRO 78 1HD PRO 78 43.374 89.609 82.231 561 2HD PRO 78 2HD PRO 78 45.033 89.827 82.828 562 H GLY 79 H GLY 79 46.072 90.621 77.430 563 1HA GLY 79 1HA GLY 79 45.143 90.045 75.299 564 2HA GLY 79 2HA GLY 79 43.783 89.289 76.125 565 H GLU 80 H GLU 80 43.633 91.959 77.779 566 HA GLU 80 HA GLU 80 41.750 93.267 75.907 567 1HB GLU 80 1HB GLU 80 42.454 93.470 78.834 568 2HB GLU 80 2HB GLU 80 41.427 94.683 78.072 569 1HG GLU 80 1HG GLU 80 39.974 92.778 77.235 570 2HG GLU 80 2HG GLU 80 40.911 91.706 78.276 571 H ALA 81 H ALA 81 41.803 95.693 75.751 572 HA ALA 81 HA ALA 81 44.519 96.881 76.012 573 1HB ALA 81 1HB ALA 81 44.411 97.584 73.641 574 2HB ALA 81 2HB ALA 81 42.856 96.769 73.473 575 3HB ALA 81 3HB ALA 81 44.318 95.829 73.778 576 H PHE 82 H PHE 82 44.456 99.171 76.200 577 HA PHE 82 HA PHE 82 41.720 100.381 76.460 578 1HB PHE 82 1HB PHE 82 42.951 100.114 78.580 579 2HB PHE 82 2HB PHE 82 44.332 100.973 77.899 580 HD1 PHE 82 HD1 PHE 82 44.354 103.369 77.716 581 HD2 PHE 82 HD2 PHE 82 40.792 101.316 78.957 582 HE1 PHE 82 HE1 PHE 82 43.335 105.533 78.375 583 HE2 PHE 82 HE2 PHE 82 39.774 103.478 79.616 584 HZ PHE 82 HZ PHE 82 41.046 105.587 79.323 585 H HIS 83 H HIS 83 41.432 102.434 75.408 586 HA HIS 83 HA HIS 83 43.810 103.629 74.059 587 1HB HIS 83 1HB HIS 83 42.536 103.651 71.925 588 2HB HIS 83 2HB HIS 83 42.812 102.012 72.507 589 HD1 HIS 83 HD1 HIS 83 40.100 104.609 72.151 590 HD2 HIS 83 HD2 HIS 83 40.472 100.606 73.255 591 HE1 HIS 83 HE1 HIS 83 37.746 103.686 72.299 592 H TYR 84 H TYR 84 43.686 105.855 73.878 593 HA TYR 84 HA TYR 84 41.097 107.237 74.203 594 1HB TYR 84 1HB TYR 84 41.849 108.486 76.160 595 2HB TYR 84 2HB TYR 84 41.981 106.764 76.497 596 HD1 TYR 84 HD1 TYR 84 43.815 109.887 75.926 597 HD2 TYR 84 HD2 TYR 84 44.187 105.659 76.577 598 HE1 TYR 84 HE1 TYR 84 46.218 110.181 76.462 599 HE2 TYR 84 HE2 TYR 84 46.590 105.952 77.110 600 HH TYR 84 HH TYR 84 47.980 108.330 78.072 601 H THR 85 H THR 85 41.322 109.576 73.670 602 HA THR 85 HA THR 85 43.576 110.014 71.757 603 HB THR 85 HB THR 85 40.914 111.429 72.112 604 HG1 THR 85 HG1 THR 85 40.248 109.621 71.277 605 1HG2 THR 85 1HG2 THR 85 41.362 112.318 69.873 606 2HG2 THR 85 2HG2 THR 85 42.898 111.451 69.820 607 3HG2 THR 85 3HG2 THR 85 42.665 112.765 70.974 608 H SER 86 H SER 86 44.999 111.711 72.032 609 HA SER 86 HA SER 86 44.540 113.528 74.374 610 1HB SER 86 1HB SER 86 46.259 111.972 74.909 611 2HB SER 86 2HB SER 86 46.999 112.131 73.316 612 HG SER 86 HG SER 86 46.776 114.185 75.270 613 H GLY 87 H GLY 87 45.825 115.667 74.082 614 1HA GLY 87 1HA GLY 87 46.388 116.346 71.248 615 2HA GLY 87 2HA GLY 87 45.182 117.311 72.096 616 H VAL 88 H VAL 88 48.358 117.266 71.246 617 HA VAL 88 HA VAL 88 49.102 119.128 73.479 618 HB VAL 88 HB VAL 88 51.368 118.091 73.394 619 1HG1 VAL 88 1HG1 VAL 88 50.697 115.903 74.408 620 2HG1 VAL 88 2HG1 VAL 88 49.045 116.198 73.863 621 3HG1 VAL 88 3HG1 VAL 88 49.787 117.271 75.051 622 1HG2 VAL 88 1HG2 VAL 88 51.623 115.939 72.167 623 2HG2 VAL 88 2HG2 VAL 88 51.311 117.286 71.071 624 3HG2 VAL 88 3HG2 VAL 88 50.015 116.160 71.476 625 H LEU 89 H LEU 89 50.570 120.812 72.838 626 HA LEU 89 HA LEU 89 50.632 121.274 69.884 627 1HB LEU 89 1HB LEU 89 50.737 123.655 70.515 628 2HB LEU 89 2HB LEU 89 49.371 122.865 71.297 629 HG LEU 89 HG LEU 89 51.525 122.516 73.082 630 1HD1 LEU 89 1HD1 LEU 89 51.382 125.423 72.266 631 2HD1 LEU 89 2HD1 LEU 89 52.630 124.334 71.662 632 3HD1 LEU 89 3HD1 LEU 89 52.509 124.665 73.389 633 1HD2 LEU 89 1HD2 LEU 89 49.085 124.274 72.966 634 2HD2 LEU 89 2HD2 LEU 89 50.197 124.403 74.328 635 3HD2 LEU 89 3HD2 LEU 89 49.392 122.872 73.990 636 H LEU 90 H LEU 90 52.610 121.754 68.873 637 HA LEU 90 HA LEU 90 55.050 121.600 70.609 638 1HB LEU 90 1HB LEU 90 54.324 120.374 67.952 639 2HB LEU 90 2HB LEU 90 56.010 120.528 68.447 640 HG LEU 90 HG LEU 90 53.942 119.270 70.250 641 1HD1 LEU 90 1HD1 LEU 90 55.683 117.936 68.155 642 2HD1 LEU 90 2HD1 LEU 90 53.921 117.987 68.173 643 3HD1 LEU 90 3HD1 LEU 90 54.789 117.076 69.409 644 1HD2 LEU 90 1HD2 LEU 90 56.384 120.105 70.881 645 2HD2 LEU 90 2HD2 LEU 90 56.857 118.581 70.131 646 3HD2 LEU 90 3HD2 LEU 90 55.765 118.581 71.516 647 H GLU 91 H GLU 91 56.752 123.110 70.053 648 HA GLU 91 HA GLU 91 55.962 125.352 68.298 649 1HB GLU 91 1HB GLU 91 56.944 125.667 70.556 650 2HB GLU 91 2HB GLU 91 58.404 124.833 70.026 651 1HG GLU 91 1HG GLU 91 58.764 126.557 68.294 652 2HG GLU 91 2HG GLU 91 57.306 127.394 68.824 653 H THR 92 H THR 92 57.967 122.509 68.165 654 HA THR 92 HA THR 92 59.513 123.518 65.818 655 HB THR 92 HB THR 92 60.634 121.213 66.297 656 HG1 THR 92 HG1 THR 92 58.955 120.503 67.688 657 1HG2 THR 92 1HG2 THR 92 62.101 122.264 67.856 658 2HG2 THR 92 2HG2 THR 92 60.822 123.325 68.448 659 3HG2 THR 92 3HG2 THR 92 61.480 123.555 66.828 660 H GLU 93 H GLU 93 59.018 122.700 63.744 661 HA GLU 93 HA GLU 93 56.688 120.968 63.421 662 1HB GLU 93 1HB GLU 93 58.757 122.121 61.520 663 2HB GLU 93 2HB GLU 93 57.316 121.252 60.989 664 1HG GLU 93 1HG GLU 93 55.891 122.899 62.143 665 2HG GLU 93 2HG GLU 93 57.329 123.774 62.672 666 H GLN 94 H GLN 94 59.885 120.257 64.188 667 HA GLN 94 HA GLN 94 59.567 117.490 63.134 668 1HB GLN 94 1HB GLN 94 61.941 119.359 62.922 669 2HB GLN 94 2HB GLN 94 62.065 117.624 62.629 670 1HG GLN 94 1HG GLN 94 60.349 117.794 60.864 671 2HG GLN 94 2HG GLN 94 60.227 119.530 61.151 672 1HE2 GLN 94 1HE2 GLN 94 61.294 117.843 58.760 673 2HE2 GLN 94 2HE2 GLN 94 62.807 118.540 58.433 674 H GLY 95 H GLY 95 60.276 115.909 64.740 675 1HA GLY 95 1HA GLY 95 62.175 116.524 66.788 676 2HA GLY 95 2HA GLY 95 60.565 116.819 67.432 677 H GLN 96 H GLN 96 62.162 114.979 68.600 678 HA GLN 96 HA GLN 96 61.033 112.294 67.809 679 1HB GLN 96 1HB GLN 96 63.533 112.957 69.398 680 2HB GLN 96 2HB GLN 96 63.062 111.374 68.785 681 1HG GLN 96 1HG GLN 96 63.047 112.791 66.473 682 2HG GLN 96 2HG GLN 96 64.293 113.668 67.364 683 1HE2 GLN 96 1HE2 GLN 96 66.280 112.858 66.665 684 2HE2 GLN 96 2HE2 GLN 96 66.655 111.211 66.508 685 H MET 97 H MET 97 59.645 111.417 69.343 686 HA MET 97 HA MET 97 59.799 112.506 72.139 687 1HB MET 97 1HB MET 97 57.463 111.823 70.345 688 2HB MET 97 2HB MET 97 57.281 112.131 72.071 689 1HG MET 97 1HG MET 97 58.265 114.363 71.793 690 2HG MET 97 2HG MET 97 58.503 114.058 70.073 691 1HE MET 97 1HE MET 97 55.365 115.157 72.716 692 2HE MET 97 2HE MET 97 56.259 113.648 72.870 693 3HE MET 97 3HE MET 97 54.618 113.629 72.232 694 H GLN 98 H GLN 98 60.372 110.884 73.562 695 HA GLN 98 HA GLN 98 59.433 108.078 73.025 696 1HB GLN 98 1HB GLN 98 62.003 109.289 74.056 697 2HB GLN 98 2HB GLN 98 61.578 107.617 74.424 698 1HG GLN 98 1HG GLN 98 61.413 107.100 72.044 699 2HG GLN 98 2HG GLN 98 61.749 108.782 71.632 700 1HE2 GLN 98 1HE2 GLN 98 63.226 105.759 72.132 701 2HE2 GLN 98 2HE2 GLN 98 64.826 106.296 72.309 702 H GLY 99 H GLY 99 58.732 106.934 74.984 703 1HA GLY 99 1HA GLY 99 58.824 108.375 77.547 704 2HA GLY 99 2HA GLY 99 57.211 108.284 76.846 705 H HIS 100 H HIS 100 57.446 107.127 79.234 706 HA HIS 100 HA HIS 100 57.368 104.219 78.589 707 1HB HIS 100 1HB HIS 100 58.737 105.610 80.917 708 2HB HIS 100 2HB HIS 100 58.497 103.866 80.832 709 HD1 HIS 100 HD1 HIS 100 60.119 106.645 78.781 710 HD2 HIS 100 HD2 HIS 100 60.501 102.550 79.456 711 HE1 HIS 100 HE1 HIS 100 62.181 105.898 77.513 712 H TYR 101 H TYR 101 55.964 103.013 80.052 713 HA TYR 101 HA TYR 101 53.929 104.741 81.416 714 1HB TYR 101 1HB TYR 101 53.811 102.181 79.821 715 2HB TYR 101 2HB TYR 101 52.500 102.607 80.913 716 HD1 TYR 101 HD1 TYR 101 52.374 105.574 80.587 717 HD2 TYR 101 HD2 TYR 101 52.935 102.463 77.673 718 HE1 TYR 101 HE1 TYR 101 51.424 107.043 78.833 719 HE2 TYR 101 HE2 TYR 101 51.982 103.935 75.923 720 HH TYR 101 HH TYR 101 50.159 106.438 76.420 721 H ASP 102 H ASP 102 53.752 104.381 83.667 722 HA ASP 102 HA ASP 102 55.240 102.111 84.864 723 1HB ASP 102 1HB ASP 102 53.645 104.472 85.935 724 2HB ASP 102 2HB ASP 102 54.417 103.276 86.975 725 H MET 103 H MET 103 54.308 100.224 85.071 726 HA MET 103 HA MET 103 51.316 100.055 85.353 727 1HB MET 103 1HB MET 103 52.703 99.327 83.211 728 2HB MET 103 2HB MET 103 53.020 97.891 84.184 729 1HG MET 103 1HG MET 103 50.815 97.230 84.180 730 2HG MET 103 2HG MET 103 50.207 98.878 84.043 731 1HE MET 103 1HE MET 103 50.747 100.370 82.013 732 2HE MET 103 2HE MET 103 49.124 99.690 81.933 733 3HE MET 103 3HE MET 103 50.108 99.773 80.474 734 H VAL 104 H VAL 104 50.592 98.121 86.558 735 HA VAL 104 HA VAL 104 52.643 96.914 88.366 736 HB VAL 104 HB VAL 104 50.976 97.334 90.250 737 1HG1 VAL 104 1HG1 VAL 104 53.007 98.645 90.070 738 2HG1 VAL 104 2HG1 VAL 104 51.678 99.718 90.506 739 3HG1 VAL 104 3HG1 VAL 104 52.274 99.682 88.847 740 1HG2 VAL 104 1HG2 VAL 104 49.355 99.160 89.913 741 2HG2 VAL 104 2HG2 VAL 104 49.014 97.823 88.815 742 3HG2 VAL 104 3HG2 VAL 104 49.822 99.272 88.215 743 H ALA 105 H ALA 105 52.306 94.728 88.528 744 HA ALA 105 HA ALA 105 50.030 93.413 87.240 745 1HB ALA 105 1HB ALA 105 52.170 92.362 89.122 746 2HB ALA 105 2HB ALA 105 52.377 92.539 87.379 747 3HB ALA 105 3HB ALA 105 51.189 91.401 88.015 748 H ASP 106 H ASP 106 48.652 91.833 88.481 749 HA ASP 106 HA ASP 106 47.276 93.143 90.645 750 1HB ASP 106 1HB ASP 106 46.389 91.463 88.968 751 2HB ASP 106 2HB ASP 106 47.239 90.210 89.871 752 H ASP 107 H ASP 107 49.851 90.715 90.554 753 HA ASP 107 HA ASP 107 49.661 89.975 93.355 754 1HB ASP 107 1HB ASP 107 50.640 88.651 91.434 755 2HB ASP 107 2HB ASP 107 52.012 89.760 91.456 756 H GLY 108 H GLY 108 50.719 92.861 91.915 757 1HA GLY 108 1HA GLY 108 51.486 94.705 93.296 758 2HA GLY 108 2HA GLY 108 52.244 93.537 94.376 759 H THR 109 H THR 109 53.116 92.267 91.538 760 HA THR 109 HA THR 109 55.830 93.062 91.636 761 HB THR 109 HB THR 109 54.210 92.122 89.245 762 HG1 THR 109 HG1 THR 109 54.606 90.085 90.028 763 1HG2 THR 109 1HG2 THR 109 56.509 92.880 88.723 764 2HG2 THR 109 2HG2 THR 109 56.335 91.138 88.514 765 3HG2 THR 109 3HG2 THR 109 57.139 91.777 89.947 766 H GLU 110 H GLU 110 56.909 94.866 90.792 767 HA GLU 110 HA GLU 110 55.242 96.884 89.370 768 1HB GLU 110 1HB GLU 110 57.863 96.958 90.889 769 2HB GLU 110 2HB GLU 110 57.218 98.359 90.033 770 1HG GLU 110 1HG GLU 110 55.149 98.231 91.373 771 2HG GLU 110 2HG GLU 110 55.794 96.833 92.233 772 H PHE 111 H PHE 111 55.762 97.588 87.316 773 HA PHE 111 HA PHE 111 58.336 97.057 86.040 774 1HB PHE 111 1HB PHE 111 57.550 95.399 84.464 775 2HB PHE 111 2HB PHE 111 57.128 94.828 86.074 776 HD1 PHE 111 HD1 PHE 111 55.860 96.078 82.875 777 HD2 PHE 111 HD2 PHE 111 54.776 94.918 86.867 778 HE1 PHE 111 HE1 PHE 111 53.481 95.945 82.190 779 HE2 PHE 111 HE2 PHE 111 52.397 94.786 86.179 780 HZ PHE 111 HZ PHE 111 51.750 95.299 83.843 781 H ILE 112 H ILE 112 58.603 98.358 84.249 782 HA ILE 112 HA ILE 112 56.391 100.271 83.680 783 HB ILE 112 HB ILE 112 59.370 100.304 83.084 784 1HG1 ILE 112 1HG1 ILE 112 57.801 101.889 85.139 785 2HG1 ILE 112 2HG1 ILE 112 58.661 100.395 85.521 786 1HG2 ILE 112 1HG2 ILE 112 57.275 102.488 82.863 787 2HG2 ILE 112 2HG2 ILE 112 58.064 101.683 81.506 788 3HG2 ILE 112 3HG2 ILE 112 59.005 102.699 82.598 789 1HD1 ILE 112 1HD1 ILE 112 60.015 102.441 86.001 790 2HD1 ILE 112 2HD1 ILE 112 59.951 102.845 84.286 791 3HD1 ILE 112 3HD1 ILE 112 60.775 101.379 84.815 792 H ALA 113 H ALA 113 55.980 100.866 81.429 793 HA ALA 113 HA ALA 113 56.652 98.707 79.456 794 1HB ALA 113 1HB ALA 113 54.366 99.801 78.512 795 2HB ALA 113 2HB ALA 113 54.154 100.152 80.228 796 3HB ALA 113 3HB ALA 113 54.357 98.485 79.687 797 HA PRO 114 HA PRO 114 58.677 102.544 77.978 798 1HB PRO 114 1HB PRO 114 60.236 101.292 76.127 799 2HB PRO 114 2HB PRO 114 60.687 101.409 77.841 800 1HG PRO 114 1HG PRO 114 59.471 99.132 76.357 801 2HG PRO 114 2HG PRO 114 60.745 99.126 77.589 802 1HD PRO 114 1HD PRO 114 58.184 98.471 78.142 803 2HD PRO 114 2HD PRO 114 59.254 99.249 79.327 804 H ILE 115 H ILE 115 58.298 103.738 76.204 805 HA ILE 115 HA ILE 115 56.444 102.613 74.122 806 HB ILE 115 HB ILE 115 56.892 105.479 75.035 807 1HG1 ILE 115 1HG1 ILE 115 54.526 103.686 75.647 808 2HG1 ILE 115 2HG1 ILE 115 55.875 103.900 76.764 809 1HG2 ILE 115 1HG2 ILE 115 54.562 104.356 73.479 810 2HG2 ILE 115 2HG2 ILE 115 56.003 104.977 72.675 811 3HG2 ILE 115 3HG2 ILE 115 55.027 106.045 73.684 812 1HD1 ILE 115 1HD1 ILE 115 53.760 105.842 75.952 813 2HD1 ILE 115 2HD1 ILE 115 55.370 106.480 76.280 814 3HD1 ILE 115 3HD1 ILE 115 54.503 105.587 77.531 815 H ALA 116 H ALA 116 57.434 102.325 72.185 816 HA ALA 116 HA ALA 116 60.063 102.888 71.466 817 1HB ALA 116 1HB ALA 116 59.125 102.744 69.105 818 2HB ALA 116 2HB ALA 116 57.519 102.735 69.833 819 3HB ALA 116 3HB ALA 116 58.652 101.429 70.182 820 H ALA 117 H ALA 117 60.823 104.469 69.722 821 HA ALA 117 HA ALA 117 59.923 107.202 70.438 822 1HB ALA 117 1HB ALA 117 62.091 107.813 69.787 823 2HB ALA 117 2HB ALA 117 62.229 106.471 68.652 824 3HB ALA 117 3HB ALA 117 62.341 106.174 70.387 825 H PHE 118 H PHE 118 58.548 108.240 69.087 826 HA PHE 118 HA PHE 118 58.485 107.451 66.196 827 1HB PHE 118 1HB PHE 118 56.149 108.347 66.279 828 2HB PHE 118 2HB PHE 118 56.393 107.005 67.391 829 HD1 PHE 118 HD1 PHE 118 56.420 107.349 69.805 830 HD2 PHE 118 HD2 PHE 118 55.892 110.643 67.100 831 HE1 PHE 118 HE1 PHE 118 55.660 108.773 71.688 832 HE2 PHE 118 HE2 PHE 118 55.134 112.067 68.984 833 HZ PHE 118 HZ PHE 118 55.019 111.133 71.278 834 H VAL 119 H VAL 119 58.225 109.317 64.678 835 HA VAL 119 HA VAL 119 59.402 111.817 65.841 836 HB VAL 119 HB VAL 119 59.595 110.608 63.059 837 1HG1 VAL 119 1HG1 VAL 119 59.807 112.980 62.848 838 2HG1 VAL 119 2HG1 VAL 119 61.455 112.352 62.861 839 3HG1 VAL 119 3HG1 VAL 119 60.783 113.093 64.312 840 1HG2 VAL 119 1HG2 VAL 119 62.003 110.278 63.736 841 2HG2 VAL 119 2HG2 VAL 119 60.864 109.287 64.648 842 3HG2 VAL 119 3HG2 VAL 119 61.548 110.741 65.377 843 H LEU 120 H LEU 120 58.627 113.821 65.004 844 HA LEU 120 HA LEU 120 55.894 113.670 63.783 845 1HB LEU 120 1HB LEU 120 57.233 115.621 65.683 846 2HB LEU 120 2HB LEU 120 55.690 115.962 64.903 847 HG LEU 120 HG LEU 120 54.842 113.772 65.886 848 1HD1 LEU 120 1HD1 LEU 120 57.601 113.848 66.976 849 2HD1 LEU 120 2HD1 LEU 120 56.562 112.466 66.636 850 3HD1 LEU 120 3HD1 LEU 120 56.336 113.393 68.118 851 1HD2 LEU 120 1HD2 LEU 120 54.626 116.213 66.833 852 2HD2 LEU 120 2HD2 LEU 120 55.719 115.624 68.086 853 3HD2 LEU 120 3HD2 LEU 120 54.154 114.847 67.845 854 H SER 121 H SER 121 55.669 114.634 61.797 855 HA SER 121 HA SER 121 57.489 116.808 60.946 856 1HB SER 121 1HB SER 121 57.473 113.987 59.906 857 2HB SER 121 2HB SER 121 57.882 115.308 58.816 858 HG SER 121 HG SER 121 59.354 114.159 60.767 Start of MODEL 20 1 H ARG 6 1H ARG 6 56.088 85.938 81.901 2 HA ARG 6 HA ARG 6 53.800 86.422 81.536 3 1HB ARG 6 1HB ARG 6 54.132 86.549 84.545 4 2HB ARG 6 2HB ARG 6 52.556 86.564 83.752 5 1HG ARG 6 1HG ARG 6 53.078 84.409 82.668 6 2HG ARG 6 2HG ARG 6 54.652 84.390 83.464 7 1HD ARG 6 1HD ARG 6 53.488 84.444 85.683 8 2HD ARG 6 2HD ARG 6 51.938 84.308 84.829 9 HE ARG 6 HE ARG 6 53.165 82.217 83.735 10 1HH1 ARG 6 1HH2 ARG 6 55.323 82.492 85.886 11 2HH1 ARG 6 2HH2 ARG 6 54.779 81.328 87.048 12 1HH2 ARG 6 2HH1 ARG 6 51.593 81.084 85.703 13 2HH2 ARG 6 1HH1 ARG 6 52.667 80.531 86.945 14 H TYR 7 H TYR 7 55.877 88.756 81.899 15 HA TYR 7 HA TYR 7 53.863 90.927 82.383 16 1HB TYR 7 1HB TYR 7 56.871 90.882 82.812 17 2HB TYR 7 2HB TYR 7 55.806 92.237 83.179 18 HD1 TYR 7 HD1 TYR 7 54.058 92.006 84.967 19 HD2 TYR 7 HD2 TYR 7 57.044 88.997 84.277 20 HE1 TYR 7 HE1 TYR 7 53.583 91.022 87.193 21 HE2 TYR 7 HE2 TYR 7 56.569 88.015 86.504 22 HH TYR 7 HH TYR 7 55.282 89.401 88.885 23 H ARG 8 H ARG 8 53.270 91.279 80.215 24 HA ARG 8 HA ARG 8 55.366 92.455 78.432 25 1HB ARG 8 1HB ARG 8 53.432 90.195 77.829 26 2HB ARG 8 2HB ARG 8 54.291 91.092 76.576 27 1HG ARG 8 1HG ARG 8 56.450 90.456 77.611 28 2HG ARG 8 2HG ARG 8 55.579 89.531 78.836 29 1HD ARG 8 1HD ARG 8 55.281 89.008 75.860 30 2HD ARG 8 2HD ARG 8 56.425 88.131 76.895 31 HE ARG 8 HE ARG 8 53.456 88.090 77.221 32 1HH1 ARG 8 1HH2 ARG 8 55.994 86.070 76.748 33 2HH1 ARG 8 2HH2 ARG 8 55.737 85.071 78.138 34 1HH2 ARG 8 2HH1 ARG 8 53.380 87.187 79.551 35 2HH2 ARG 8 1HH1 ARG 8 54.256 85.703 79.726 36 H VAL 9 H VAL 9 54.637 94.261 77.431 37 HA VAL 9 HA VAL 9 51.733 94.742 77.007 38 HB VAL 9 HB VAL 9 53.545 96.476 78.731 39 1HG1 VAL 9 1HG1 VAL 9 50.588 96.791 78.136 40 2HG1 VAL 9 2HG1 VAL 9 51.855 97.696 77.306 41 3HG1 VAL 9 3HG1 VAL 9 51.616 97.901 79.041 42 1HG2 VAL 9 1HG2 VAL 9 52.870 94.597 80.042 43 2HG2 VAL 9 2HG2 VAL 9 51.241 94.619 79.369 44 3HG2 VAL 9 3HG2 VAL 9 51.755 95.892 80.473 45 H GLU 10 H GLU 10 51.679 95.389 74.929 46 HA GLU 10 HA GLU 10 53.905 97.058 73.764 47 1HB GLU 10 1HB GLU 10 53.358 94.823 72.772 48 2HB GLU 10 2HB GLU 10 51.704 95.381 72.516 49 1HG GLU 10 1HG GLU 10 52.540 97.217 71.093 50 2HG GLU 10 2HG GLU 10 54.193 96.660 71.344 51 H VAL 11 H VAL 11 53.474 99.128 73.409 52 HA VAL 11 HA VAL 11 50.607 99.994 73.258 53 HB VAL 11 HB VAL 11 53.064 101.423 74.335 54 1HG1 VAL 11 1HG1 VAL 11 50.391 102.454 75.016 55 2HG1 VAL 11 2HG1 VAL 11 50.781 102.586 73.302 56 3HG1 VAL 11 3HG1 VAL 11 51.837 103.324 74.503 57 1HG2 VAL 11 1HG2 VAL 11 50.686 100.113 75.690 58 2HG2 VAL 11 2HG2 VAL 11 51.828 101.168 76.521 59 3HG2 VAL 11 3HG2 VAL 11 52.379 99.642 75.831 60 H GLU 12 H GLU 12 50.068 101.225 71.424 61 HA GLU 12 HA GLU 12 52.314 102.184 69.675 62 1HB GLU 12 1HB GLU 12 50.910 101.479 67.768 63 2HB GLU 12 2HB GLU 12 51.253 100.114 68.828 64 1HG GLU 12 1HG GLU 12 49.046 100.436 69.923 65 2HG GLU 12 2HG GLU 12 48.704 101.752 68.801 66 H VAL 13 H VAL 13 52.089 104.262 68.947 67 HA VAL 13 HA VAL 13 49.497 105.701 69.471 68 HB VAL 13 HB VAL 13 52.365 106.626 69.881 69 1HG1 VAL 13 1HG1 VAL 13 49.755 108.022 70.542 70 2HG1 VAL 13 2HG1 VAL 13 50.790 108.426 69.175 71 3HG1 VAL 13 3HG1 VAL 13 51.377 108.653 70.821 72 1HG2 VAL 13 1HG2 VAL 13 51.827 105.130 71.656 73 2HG2 VAL 13 2HG2 VAL 13 50.182 105.750 71.781 74 3HG2 VAL 13 3HG2 VAL 13 51.541 106.743 72.309 75 H SER 14 H SER 14 48.803 107.028 67.845 76 HA SER 14 HA SER 14 50.594 107.310 65.456 77 1HB SER 14 1HB SER 14 48.772 105.682 65.149 78 2HB SER 14 2HB SER 14 47.592 106.893 65.641 79 HG SER 14 HG SER 14 49.257 106.864 63.347 80 HA PRO 15 HA PRO 15 49.416 111.574 66.488 81 1HB PRO 15 1HB PRO 15 51.668 112.772 65.543 82 2HB PRO 15 2HB PRO 15 51.593 112.019 67.149 83 1HG PRO 15 1HG PRO 15 52.767 110.979 64.626 84 2HG PRO 15 2HG PRO 15 53.355 110.836 66.289 85 1HD PRO 15 1HD PRO 15 52.069 108.830 64.972 86 2HD PRO 15 2HD PRO 15 52.045 109.021 66.737 87 H ARG 16 H ARG 16 49.123 113.503 65.122 88 HA ARG 16 HA ARG 16 49.308 113.212 62.189 89 1HB ARG 16 1HB ARG 16 46.836 113.393 61.927 90 2HB ARG 16 2HB ARG 16 47.300 111.908 62.756 91 1HG ARG 16 1HG ARG 16 46.821 112.975 64.932 92 2HG ARG 16 2HG ARG 16 46.343 114.454 64.100 93 1HD ARG 16 1HD ARG 16 44.327 113.176 64.621 94 2HD ARG 16 2HD ARG 16 44.594 113.093 62.868 95 HE ARG 16 HE ARG 16 45.623 110.858 63.222 96 1HH1 ARG 16 1HH2 ARG 16 42.908 111.696 64.924 97 2HH1 ARG 16 2HH2 ARG 16 43.054 110.475 66.143 98 1HH2 ARG 16 2HH1 ARG 16 46.249 109.526 65.185 99 2HH2 ARG 16 1HH1 ARG 16 44.945 109.246 66.292 100 H PHE 17 H PHE 17 49.587 115.179 61.321 101 HA PHE 17 HA PHE 17 49.904 117.549 62.852 102 1HB PHE 17 1HB PHE 17 50.881 117.005 60.624 103 2HB PHE 17 2HB PHE 17 49.292 117.236 59.898 104 HD1 PHE 17 HD1 PHE 17 51.830 118.975 62.026 105 HD2 PHE 17 HD2 PHE 17 48.617 119.381 59.206 106 HE1 PHE 17 HE1 PHE 17 52.258 121.414 61.891 107 HE2 PHE 17 HE2 PHE 17 49.047 121.821 59.071 108 HZ PHE 17 HZ PHE 17 50.865 122.837 60.414 109 H LEU 18 H LEU 18 48.504 119.207 63.388 110 HA LEU 18 HA LEU 18 45.637 118.999 62.478 111 1HB LEU 18 1HB LEU 18 46.562 118.693 64.985 112 2HB LEU 18 2HB LEU 18 46.470 120.454 64.954 113 HG LEU 18 HG LEU 18 44.098 120.267 64.177 114 1HD1 LEU 18 1HD1 LEU 18 43.109 117.904 64.703 115 2HD1 LEU 18 2HD1 LEU 18 44.766 117.347 64.473 116 3HD1 LEU 18 3HD1 LEU 18 43.919 118.160 63.157 117 1HD2 LEU 18 1HD2 LEU 18 44.901 118.950 66.784 118 2HD2 LEU 18 2HD2 LEU 18 43.232 119.364 66.396 119 3HD2 LEU 18 3HD2 LEU 18 44.448 120.634 66.525 120 H ALA 19 H ALA 19 46.304 120.250 60.619 121 HA ALA 19 HA ALA 19 47.252 123.013 60.782 122 1HB ALA 19 1HB ALA 19 45.599 121.964 58.536 123 2HB ALA 19 2HB ALA 19 47.117 121.134 58.882 124 3HB ALA 19 3HB ALA 19 47.121 122.854 58.494 125 H HIS 20 H HIS 20 44.019 121.499 60.622 126 HA HIS 20 HA HIS 20 42.594 123.958 60.164 127 1HB HIS 20 1HB HIS 20 41.837 121.248 61.289 128 2HB HIS 20 2HB HIS 20 40.649 122.511 60.969 129 HD1 HIS 20 HD1 HIS 20 42.980 120.130 59.244 130 HD2 HIS 20 HD2 HIS 20 40.170 123.030 58.207 131 HE1 HIS 20 HE1 HIS 20 42.566 119.870 56.758 132 H GLN 21 H GLN 21 43.842 122.456 63.073 133 HA GLN 21 HA GLN 21 42.506 124.601 64.698 134 1HB GLN 21 1HB GLN 21 43.312 121.745 65.314 135 2HB GLN 21 2HB GLN 21 42.804 122.887 66.560 136 1HG GLN 21 1HG GLN 21 40.654 123.210 65.394 137 2HG GLN 21 2HG GLN 21 41.156 122.065 64.150 138 1HE2 GLN 21 1HE2 GLN 21 39.565 122.314 67.162 139 2HE2 GLN 21 2HE2 GLN 21 39.568 120.665 67.567 140 H SER 22 H SER 22 44.966 125.117 63.358 141 HA SER 22 HA SER 22 46.679 125.755 65.655 142 1HB SER 22 1HB SER 22 47.161 123.364 65.097 143 2HB SER 22 2HB SER 22 47.637 123.872 63.480 144 HG SER 22 HG SER 22 49.342 124.960 64.321 145 H THR 23 H THR 23 48.262 127.340 65.112 146 HA THR 23 HA THR 23 48.153 128.374 62.299 147 HB THR 23 HB THR 23 46.934 129.811 63.892 148 HG1 THR 23 HG1 THR 23 48.043 130.851 62.261 149 1HG2 THR 23 1HG2 THR 23 49.502 130.388 65.342 150 2HG2 THR 23 2HG2 THR 23 48.482 129.053 65.864 151 3HG2 THR 23 3HG2 THR 23 47.847 130.693 65.855 152 HA PRO 24 HA PRO 24 52.437 127.109 63.171 153 1HB PRO 24 1HB PRO 24 53.187 126.836 60.557 154 2HB PRO 24 2HB PRO 24 52.339 125.566 61.460 155 1HG PRO 24 1HG PRO 24 51.260 127.543 59.517 156 2HG PRO 24 2HG PRO 24 50.872 125.827 59.714 157 1HD PRO 24 1HD PRO 24 49.287 127.809 60.653 158 2HD PRO 24 2HD PRO 24 49.406 126.216 61.429 159 H ASP 25 H ASP 25 51.170 129.686 61.148 160 HA ASP 25 HA ASP 25 53.654 130.948 60.491 161 1HB ASP 25 1HB ASP 25 51.291 131.302 59.539 162 2HB ASP 25 2HB ASP 25 50.995 132.331 60.941 163 H GLU 26 H GLU 26 51.817 130.904 63.462 164 HA GLU 26 HA GLU 26 53.461 133.158 64.547 165 1HB GLU 26 1HB GLU 26 50.894 131.799 65.402 166 2HB GLU 26 2HB GLU 26 51.703 133.026 66.377 167 1HG GLU 26 1HG GLU 26 51.540 134.626 64.505 168 2HG GLU 26 2HG GLU 26 50.728 133.403 63.530 169 H GLY 27 H GLY 27 54.265 130.192 64.172 170 1HA GLY 27 1HA GLY 27 55.636 128.704 65.359 171 2HA GLY 27 2HA GLY 27 55.743 129.922 66.631 172 H ARG 28 H ARG 28 52.663 128.708 65.512 173 HA ARG 28 HA ARG 28 52.327 127.254 68.119 174 1HB ARG 28 1HB ARG 28 50.458 128.960 66.457 175 2HB ARG 28 2HB ARG 28 49.903 127.969 67.807 176 1HG ARG 28 1HG ARG 28 51.449 129.161 69.318 177 2HG ARG 28 2HG ARG 28 51.998 130.156 67.969 178 1HD ARG 28 1HD ARG 28 49.671 130.998 67.666 179 2HD ARG 28 2HD ARG 28 49.174 130.059 69.088 180 HE ARG 28 HE ARG 28 51.497 131.796 69.538 181 1HH1 ARG 28 2HH1 ARG 28 48.739 133.122 68.691 182 2HH1 ARG 28 1HH1 ARG 28 48.192 133.623 70.257 183 1HH2 ARG 28 1HH2 ARG 28 50.515 131.705 71.974 184 2HH2 ARG 28 2HH2 ARG 28 49.197 132.820 72.116 185 H TYR 29 H TYR 29 52.817 125.159 67.243 186 HA TYR 29 HA TYR 29 51.090 124.215 64.984 187 1HB TYR 29 1HB TYR 29 53.560 122.975 66.248 188 2HB TYR 29 2HB TYR 29 52.783 122.467 64.754 189 HD1 TYR 29 HD1 TYR 29 54.742 125.163 66.368 190 HD2 TYR 29 HD2 TYR 29 53.139 123.650 62.682 191 HE1 TYR 29 HE1 TYR 29 56.128 126.783 65.103 192 HE2 TYR 29 HE2 TYR 29 54.525 125.272 61.417 193 HH TYR 29 HH TYR 29 55.821 127.911 62.614 194 H ALA 30 H ALA 30 49.524 122.702 65.435 195 HA ALA 30 HA ALA 30 49.448 121.628 68.229 196 1HB ALA 30 1HB ALA 30 47.663 123.222 67.041 197 2HB ALA 30 2HB ALA 30 47.159 121.982 68.189 198 3HB ALA 30 3HB ALA 30 47.042 121.679 66.456 199 H PHE 31 H PHE 31 49.909 119.477 68.360 200 HA PHE 31 HA PHE 31 49.272 117.709 66.017 201 1HB PHE 31 1HB PHE 31 51.392 117.620 68.185 202 2HB PHE 31 2HB PHE 31 51.099 116.285 67.073 203 HD1 PHE 31 HD1 PHE 31 52.200 119.812 67.335 204 HD2 PHE 31 HD2 PHE 31 51.791 116.390 64.771 205 HE1 PHE 31 HE1 PHE 31 53.633 120.911 65.637 206 HE2 PHE 31 HE2 PHE 31 53.222 117.492 63.072 207 HZ PHE 31 HZ PHE 31 54.143 119.753 63.505 208 H ALA 32 H ALA 32 47.811 116.024 66.432 209 HA ALA 32 HA ALA 32 47.014 115.569 69.288 210 1HB ALA 32 1HB ALA 32 45.534 115.144 66.667 211 2HB ALA 32 2HB ALA 32 45.302 116.515 67.752 212 3HB ALA 32 3HB ALA 32 44.861 114.890 68.276 213 H TYR 33 H TYR 33 47.477 113.509 70.070 214 HA TYR 33 HA TYR 33 48.086 111.406 68.017 215 1HB TYR 33 1HB TYR 33 49.937 110.694 69.412 216 2HB TYR 33 2HB TYR 33 50.073 112.427 69.142 217 HD1 TYR 33 HD1 TYR 33 49.677 109.793 71.589 218 HD2 TYR 33 HD2 TYR 33 49.318 114.027 70.968 219 HE1 TYR 33 HE1 TYR 33 49.705 110.155 74.041 220 HE2 TYR 33 HE2 TYR 33 49.343 114.382 73.417 221 HH TYR 33 HH TYR 33 48.705 112.188 75.608 222 H SER 34 H SER 34 47.330 109.309 68.453 223 HA SER 34 HA SER 34 45.387 109.085 70.716 224 1HB SER 34 1HB SER 34 45.704 107.238 68.348 225 2HB SER 34 2HB SER 34 44.267 107.519 69.326 226 HG SER 34 HG SER 34 43.973 109.445 68.356 227 H ILE 35 H ILE 35 45.700 107.550 72.296 228 HA ILE 35 HA ILE 35 48.250 105.963 72.239 229 HB ILE 35 HB ILE 35 46.337 106.863 74.410 230 1HG1 ILE 35 1HG1 ILE 35 47.660 108.673 73.362 231 2HG1 ILE 35 2HG1 ILE 35 48.170 108.390 75.024 232 1HG2 ILE 35 1HG2 ILE 35 48.141 106.101 75.968 233 2HG2 ILE 35 2HG2 ILE 35 48.979 105.379 74.594 234 3HG2 ILE 35 3HG2 ILE 35 47.397 104.770 75.080 235 1HD1 ILE 35 1HD1 ILE 35 49.677 108.054 72.528 236 2HD1 ILE 35 2HD1 ILE 35 49.789 106.658 73.595 237 3HD1 ILE 35 3HD1 ILE 35 50.269 108.250 74.176 238 H ARG 36 H ARG 36 48.152 103.815 72.043 239 HA ARG 36 HA ARG 36 45.564 102.389 72.592 240 1HB ARG 36 1HB ARG 36 47.699 102.030 70.477 241 2HB ARG 36 2HB ARG 36 46.454 100.820 70.779 242 1HG ARG 36 1HG ARG 36 44.703 102.479 70.317 243 2HG ARG 36 2HG ARG 36 45.929 103.719 70.059 244 1HD ARG 36 1HD ARG 36 45.260 102.892 67.877 245 2HD ARG 36 2HD ARG 36 46.874 102.235 68.209 246 HE ARG 36 HE ARG 36 45.226 100.319 69.285 247 1HH1 ARG 36 1HH2 ARG 36 46.631 100.720 66.390 248 2HH1 ARG 36 2HH2 ARG 36 45.413 99.946 65.432 249 1HH2 ARG 36 2HH1 ARG 36 43.083 99.847 67.998 250 2HH2 ARG 36 1HH1 ARG 36 43.404 99.452 66.342 251 H ILE 37 H ILE 37 46.058 101.656 74.662 252 HA ILE 37 HA ILE 37 48.654 100.330 75.245 253 HB ILE 37 HB ILE 37 46.179 100.905 76.909 254 1HG1 ILE 37 1HG1 ILE 37 48.840 102.359 76.884 255 2HG1 ILE 37 2HG1 ILE 37 47.444 102.900 75.951 256 1HG2 ILE 37 1HG2 ILE 37 48.989 100.298 77.856 257 2HG2 ILE 37 2HG2 ILE 37 47.761 99.045 77.675 258 3HG2 ILE 37 3HG2 ILE 37 47.513 100.365 78.818 259 1HD1 ILE 37 1HD1 ILE 37 46.927 102.302 78.810 260 2HD1 ILE 37 2HD1 ILE 37 46.313 103.614 77.805 261 3HD1 ILE 37 3HD1 ILE 37 47.935 103.713 78.492 262 H GLN 38 H GLN 38 48.830 98.195 74.725 263 HA GLN 38 HA GLN 38 46.410 96.437 75.021 264 1HB GLN 38 1HB GLN 38 47.219 96.772 72.687 265 2HB GLN 38 2HB GLN 38 48.816 96.203 73.175 266 1HG GLN 38 1HG GLN 38 47.848 94.026 73.821 267 2HG GLN 38 2HG GLN 38 46.251 94.592 73.330 268 1HE2 GLN 38 1HE2 GLN 38 47.641 92.318 72.116 269 2HE2 GLN 38 2HE2 GLN 38 47.921 92.716 70.490 270 H ASN 39 H ASN 39 46.609 94.781 76.416 271 HA ASN 39 HA ASN 39 49.176 94.481 77.856 272 1HB ASN 39 1HB ASN 39 46.965 94.808 79.008 273 2HB ASN 39 2HB ASN 39 46.457 93.238 78.386 274 1HD2 ASN 39 1HD2 ASN 39 48.018 91.355 78.990 275 2HD2 ASN 39 2HD2 ASN 39 48.716 91.407 80.536 276 H ALA 40 H ALA 40 50.573 92.896 77.143 277 HA ALA 40 HA ALA 40 49.409 90.432 75.876 278 1HB ALA 40 1HB ALA 40 51.645 90.355 74.720 279 2HB ALA 40 2HB ALA 40 52.042 91.894 75.485 280 3HB ALA 40 3HB ALA 40 50.712 91.799 74.330 281 H GLY 41 H GLY 41 50.315 91.261 78.810 282 1HA GLY 41 1HA GLY 41 52.416 89.276 79.327 283 2HA GLY 41 2HA GLY 41 51.607 90.273 80.539 284 H ALA 42 H ALA 42 51.657 87.991 81.603 285 HA ALA 42 HA ALA 42 49.418 86.289 80.640 286 1HB ALA 42 1HB ALA 42 51.062 85.502 82.974 287 2HB ALA 42 2HB ALA 42 51.946 85.714 81.463 288 3HB ALA 42 3HB ALA 42 50.614 84.563 81.551 289 H VAL 43 H VAL 43 50.453 88.296 83.321 290 HA VAL 43 HA VAL 43 47.933 87.664 84.813 291 HB VAL 43 HB VAL 43 50.558 88.981 85.621 292 1HG1 VAL 43 1HG1 VAL 43 49.761 89.030 87.866 293 2HG1 VAL 43 2HG1 VAL 43 48.355 88.042 87.466 294 3HG1 VAL 43 3HG1 VAL 43 48.457 89.706 86.891 295 1HG2 VAL 43 1HG2 VAL 43 49.441 86.297 86.465 296 2HG2 VAL 43 2HG2 VAL 43 51.069 86.919 86.735 297 3HG2 VAL 43 3HG2 VAL 43 50.549 86.488 85.106 298 HA PRO 44 HA PRO 44 46.122 91.449 83.532 299 1HB PRO 44 1HB PRO 44 44.723 92.132 85.791 300 2HB PRO 44 2HB PRO 44 44.180 90.899 84.634 301 1HG PRO 44 1HG PRO 44 45.645 90.547 87.214 302 2HG PRO 44 2HG PRO 44 44.241 89.660 86.589 303 1HD PRO 44 1HD PRO 44 46.677 88.614 86.425 304 2HD PRO 44 2HD PRO 44 45.518 88.424 85.094 305 H ALA 45 H ALA 45 46.623 93.634 83.677 306 HA ALA 45 HA ALA 45 48.256 94.605 85.999 307 1HB ALA 45 1HB ALA 45 49.119 95.404 83.290 308 2HB ALA 45 2HB ALA 45 49.347 93.698 83.673 309 3HB ALA 45 3HB ALA 45 50.082 94.936 84.691 310 H ARG 46 H ARG 46 48.181 96.851 86.294 311 HA ARG 46 HA ARG 46 46.215 98.366 84.605 312 1HB ARG 46 1HB ARG 46 45.486 99.423 86.736 313 2HB ARG 46 2HB ARG 46 45.274 97.674 86.779 314 1HG ARG 46 1HG ARG 46 47.385 97.433 88.020 315 2HG ARG 46 2HG ARG 46 47.627 99.180 87.961 316 1HD ARG 46 1HD ARG 46 45.491 99.493 89.214 317 2HD ARG 46 2HD ARG 46 45.342 97.729 89.344 318 HE ARG 46 HE ARG 46 47.817 98.017 90.321 319 1HH1 ARG 46 2HH1 ARG 46 46.382 100.942 90.448 320 2HH1 ARG 46 1HH1 ARG 46 46.244 101.049 92.171 321 1HH2 ARG 46 1HH2 ARG 46 47.058 97.722 92.710 322 2HH2 ARG 46 2HH2 ARG 46 46.627 99.227 93.451 323 H LEU 47 H LEU 47 46.688 100.699 84.474 324 HA LEU 47 HA LEU 47 49.598 101.265 84.722 325 1HB LEU 47 1HB LEU 47 48.124 101.653 82.653 326 2HB LEU 47 2HB LEU 47 47.401 102.989 83.549 327 HG LEU 47 HG LEU 47 50.392 102.752 83.216 328 1HD1 LEU 47 1HD1 LEU 47 48.328 103.852 81.316 329 2HD1 LEU 47 2HD1 LEU 47 49.730 102.841 80.961 330 3HD1 LEU 47 3HD1 LEU 47 49.951 104.542 81.375 331 1HD2 LEU 47 1HD2 LEU 47 48.426 104.777 84.183 332 2HD2 LEU 47 2HD2 LEU 47 49.843 105.379 83.320 333 3HD2 LEU 47 3HD2 LEU 47 50.044 104.409 84.779 334 H VAL 48 H VAL 48 50.272 102.236 86.587 335 HA VAL 48 HA VAL 48 48.321 103.820 88.181 336 HB VAL 48 HB VAL 48 51.076 102.702 88.807 337 1HG1 VAL 48 1HG1 VAL 48 48.971 103.911 90.630 338 2HG1 VAL 48 2HG1 VAL 48 50.497 104.675 90.186 339 3HG1 VAL 48 3HG1 VAL 48 50.498 103.200 91.152 340 1HG2 VAL 48 1HG2 VAL 48 48.396 101.748 89.836 341 2HG2 VAL 48 2HG2 VAL 48 49.951 100.922 89.924 342 3HG2 VAL 48 3HG2 VAL 48 49.124 101.082 88.375 343 H ALA 49 H ALA 49 51.351 104.162 86.378 344 HA ALA 49 HA ALA 49 51.146 107.105 86.845 345 1HB ALA 49 1HB ALA 49 53.257 105.211 87.667 346 2HB ALA 49 2HB ALA 49 52.818 106.774 88.355 347 3HB ALA 49 3HB ALA 49 53.847 106.699 86.925 348 H ARG 50 H ARG 50 52.526 108.358 85.342 349 HA ARG 50 HA ARG 50 53.263 107.013 82.757 350 1HB ARG 50 1HB ARG 50 51.928 108.660 81.556 351 2HB ARG 50 2HB ARG 50 50.895 107.801 82.694 352 1HG ARG 50 1HG ARG 50 51.290 109.705 84.324 353 2HG ARG 50 2HG ARG 50 52.057 110.581 83.000 354 1HD ARG 50 1HD ARG 50 49.933 110.257 81.662 355 2HD ARG 50 2HD ARG 50 49.181 109.616 83.134 356 HE ARG 50 HE ARG 50 50.471 112.086 83.775 357 1HH1 ARG 50 1HH2 ARG 50 48.528 111.690 81.115 358 2HH1 ARG 50 2HH2 ARG 50 47.242 112.714 81.659 359 1HH2 ARG 50 2HH1 ARG 50 48.502 113.037 84.874 360 2HH2 ARG 50 1HH1 ARG 50 47.228 113.477 83.786 361 H HIS 51 H HIS 51 55.030 107.906 81.820 362 HA HIS 51 HA HIS 51 56.015 110.576 82.725 363 1HB HIS 51 1HB HIS 51 57.020 108.821 84.157 364 2HB HIS 51 2HB HIS 51 57.572 107.964 82.719 365 HD1 HIS 51 HD1 HIS 51 60.056 108.324 83.611 366 HD2 HIS 51 HD2 HIS 51 58.025 111.821 82.599 367 HE1 HIS 51 HE1 HIS 51 61.808 110.145 83.439 368 H TRP 52 H TRP 52 56.180 111.689 80.835 369 HA TRP 52 HA TRP 52 56.877 110.255 78.317 370 1HB TRP 52 1HB TRP 52 55.641 112.888 79.104 371 2HB TRP 52 2HB TRP 52 56.224 112.632 77.461 372 HD1 TRP 52 HD1 TRP 52 53.301 112.033 79.639 373 HE1 TRP 52 HE1 TRP 52 51.593 110.510 78.453 374 HE3 TRP 52 HE3 TRP 52 56.148 110.394 75.730 375 HZ2 TRP 52 HZ2 TRP 52 51.453 108.824 76.148 376 HZ3 TRP 52 HZ3 TRP 52 55.203 108.828 74.055 377 HH2 TRP 52 HH2 TRP 52 52.861 108.042 74.261 378 H GLN 53 H GLN 53 58.858 110.505 77.390 379 HA GLN 53 HA GLN 53 60.695 112.640 78.435 380 1HB GLN 53 1HB GLN 53 61.313 110.280 78.902 381 2HB GLN 53 2HB GLN 53 61.249 109.929 77.175 382 1HG GLN 53 1HG GLN 53 63.036 111.584 76.768 383 2HG GLN 53 2HG GLN 53 63.104 111.933 78.496 384 1HE2 GLN 53 1HE2 GLN 53 64.992 110.964 79.269 385 2HE2 GLN 53 2HE2 GLN 53 65.475 109.374 78.924 386 H ILE 54 H ILE 54 59.590 114.057 76.762 387 HA ILE 54 HA ILE 54 60.028 113.366 73.926 388 HB ILE 54 HB ILE 54 58.641 115.251 73.486 389 1HG1 ILE 54 1HG1 ILE 54 58.966 116.147 76.365 390 2HG1 ILE 54 2HG1 ILE 54 59.830 116.860 75.008 391 1HG2 ILE 54 1HG2 ILE 54 56.697 114.575 74.515 392 2HG2 ILE 54 2HG2 ILE 54 57.444 114.474 76.108 393 3HG2 ILE 54 3HG2 ILE 54 57.729 113.203 74.919 394 1HD1 ILE 54 1HD1 ILE 54 57.919 118.244 75.362 395 2HD1 ILE 54 2HD1 ILE 54 56.848 116.846 75.486 396 3HD1 ILE 54 3HD1 ILE 54 57.565 117.274 73.932 397 H THR 55 H THR 55 61.730 113.989 72.733 398 HA THR 55 HA THR 55 63.470 116.228 73.724 399 HB THR 55 HB THR 55 64.383 113.928 71.970 400 HG1 THR 55 HG1 THR 55 63.903 112.712 73.627 401 1HG2 THR 55 1HG2 THR 55 66.133 115.410 72.046 402 2HG2 THR 55 2HG2 THR 55 66.474 114.545 73.545 403 3HG2 THR 55 3HG2 THR 55 65.627 116.091 73.592 404 H ASP 56 H ASP 56 63.659 117.893 72.372 405 HA ASP 56 HA ASP 56 62.222 117.748 69.824 406 1HB ASP 56 1HB ASP 56 62.061 119.579 71.588 407 2HB ASP 56 2HB ASP 56 63.668 120.091 71.084 408 H GLY 57 H GLY 57 63.231 118.913 67.919 409 1HA GLY 57 1HA GLY 57 65.588 117.588 67.051 410 2HA GLY 57 2HA GLY 57 64.852 118.963 66.239 411 H ASN 58 H ASN 58 65.448 120.226 69.218 412 HA ASN 58 HA ASN 58 68.115 121.235 68.343 413 1HB ASN 58 1HB ASN 58 65.916 122.611 68.969 414 2HB ASN 58 2HB ASN 58 66.530 122.394 70.608 415 1HD2 ASN 58 1HD2 ASN 58 66.999 124.127 67.618 416 2HD2 ASN 58 2HD2 ASN 58 68.358 125.016 68.112 417 H GLY 59 H GLY 59 67.069 118.765 70.192 418 1HA GLY 59 1HA GLY 59 68.512 117.456 71.600 419 2HA GLY 59 2HA GLY 59 69.462 118.903 71.927 420 H ARG 60 H ARG 60 67.026 120.512 72.557 421 HA ARG 60 HA ARG 60 66.924 120.069 75.385 422 1HB ARG 60 1HB ARG 60 65.753 121.816 73.346 423 2HB ARG 60 2HB ARG 60 64.620 121.481 74.652 424 1HG ARG 60 1HG ARG 60 65.686 123.057 75.863 425 2HG ARG 60 2HG ARG 60 67.063 121.960 75.953 426 1HD ARG 60 1HD ARG 60 67.752 124.172 75.064 427 2HD ARG 60 2HD ARG 60 67.934 122.921 73.818 428 HE ARG 60 HE ARG 60 65.298 124.207 73.841 429 1HH1 ARG 60 2HH1 ARG 60 68.287 125.514 73.245 430 2HH1 ARG 60 1HH1 ARG 60 68.023 125.849 71.565 431 1HH2 ARG 60 1HH2 ARG 60 65.046 124.078 71.407 432 2HH2 ARG 60 2HH2 ARG 60 66.189 125.036 70.526 433 H THR 61 H THR 61 65.424 118.948 76.658 434 HA THR 61 HA THR 61 63.239 117.501 75.222 435 HB THR 61 HB THR 61 65.176 116.022 75.540 436 HG1 THR 61 HG1 THR 61 63.154 115.457 77.442 437 1HG2 THR 61 1HG2 THR 61 65.146 115.765 78.404 438 2HG2 THR 61 2HG2 THR 61 65.441 117.451 77.983 439 3HG2 THR 61 3HG2 THR 61 66.496 116.187 77.352 440 H GLU 62 H GLU 62 61.370 117.041 76.557 441 HA GLU 62 HA GLU 62 61.314 118.537 79.158 442 1HB GLU 62 1HB GLU 62 59.283 118.210 76.935 443 2HB GLU 62 2HB GLU 62 58.878 118.892 78.509 444 1HG GLU 62 1HG GLU 62 60.596 120.637 78.199 445 2HG GLU 62 2HG GLU 62 61.001 119.958 76.623 446 H GLN 63 H GLN 63 60.931 117.224 80.857 447 HA GLN 63 HA GLN 63 59.711 114.521 80.411 448 1HB GLN 63 1HB GLN 63 60.757 114.053 82.627 449 2HB GLN 63 2HB GLN 63 61.921 114.550 81.403 450 1HG GLN 63 1HG GLN 63 62.119 116.734 82.336 451 2HG GLN 63 2HG GLN 63 60.694 116.514 83.348 452 1HE2 GLN 63 1HE2 GLN 63 61.017 115.630 85.423 453 2HE2 GLN 63 2HE2 GLN 63 62.496 115.001 85.967 454 H VAL 64 H VAL 64 57.749 114.042 81.312 455 HA VAL 64 HA VAL 64 56.589 115.964 83.306 456 HB VAL 64 HB VAL 64 55.252 114.589 80.946 457 1HG1 VAL 64 1HG1 VAL 64 53.320 116.062 81.558 458 2HG1 VAL 64 2HG1 VAL 64 54.185 116.524 83.024 459 3HG1 VAL 64 3HG1 VAL 64 53.682 114.850 82.788 460 1HG2 VAL 64 1HG2 VAL 64 56.711 116.424 80.241 461 2HG2 VAL 64 2HG2 VAL 64 55.997 117.488 81.453 462 3HG2 VAL 64 3HG2 VAL 64 55.026 116.924 80.093 463 H ASP 65 H ASP 65 55.781 115.003 85.097 464 HA ASP 65 HA ASP 65 55.342 112.030 85.076 465 1HB ASP 65 1HB ASP 65 56.242 112.101 87.391 466 2HB ASP 65 2HB ASP 65 57.414 112.704 86.220 467 H GLY 66 H GLY 66 53.271 111.485 85.636 468 1HA GLY 66 1HA GLY 66 51.807 113.129 87.611 469 2HA GLY 66 2HA GLY 66 51.070 112.976 86.014 470 H GLU 67 H GLU 67 50.152 111.922 88.666 471 HA GLU 67 HA GLU 67 50.491 109.021 88.569 472 1HB GLU 67 1HB GLU 67 48.858 109.122 90.438 473 2HB GLU 67 2HB GLU 67 50.164 110.283 90.659 474 1HG GLU 67 1HG GLU 67 48.796 112.119 90.086 475 2HG GLU 67 2HG GLU 67 47.594 111.093 89.302 476 H GLY 68 H GLY 68 48.759 107.499 88.105 477 1HA GLY 68 1HA GLY 68 47.039 106.653 86.767 478 2HA GLY 68 2HA GLY 68 46.165 108.114 87.216 479 H VAL 69 H VAL 69 45.477 107.427 84.840 480 HA VAL 69 HA VAL 69 47.065 109.123 82.926 481 HB VAL 69 HB VAL 69 46.290 107.445 81.192 482 1HG1 VAL 69 1HG1 VAL 69 48.522 107.143 81.697 483 2HG1 VAL 69 2HG1 VAL 69 47.879 105.583 82.211 484 3HG1 VAL 69 3HG1 VAL 69 48.205 106.840 83.405 485 1HG2 VAL 69 1HG2 VAL 69 44.440 106.483 82.592 486 2HG2 VAL 69 2HG2 VAL 69 45.661 105.743 83.626 487 3HG2 VAL 69 3HG2 VAL 69 45.524 105.256 81.938 488 H VAL 70 H VAL 70 45.931 110.710 82.122 489 HA VAL 70 HA VAL 70 44.154 112.195 81.846 490 HB VAL 70 HB VAL 70 42.613 111.384 80.140 491 1HG1 VAL 70 1HG1 VAL 70 44.218 111.118 78.572 492 2HG1 VAL 70 2HG1 VAL 70 44.903 109.701 79.367 493 3HG1 VAL 70 3HG1 VAL 70 45.342 111.320 79.915 494 1HG2 VAL 70 1HG2 VAL 70 42.319 109.047 79.621 495 2HG2 VAL 70 2HG2 VAL 70 42.025 109.259 81.343 496 3HG2 VAL 70 3HG2 VAL 70 43.553 108.578 80.788 497 H GLY 71 H GLY 71 44.063 110.996 84.424 498 1HA GLY 71 1HA GLY 71 42.583 111.289 86.235 499 2HA GLY 71 2HA GLY 71 41.283 111.587 85.092 500 H GLU 72 H GLU 72 42.988 108.636 84.515 501 HA GLU 72 HA GLU 72 41.072 107.106 86.223 502 1HB GLU 72 1HB GLU 72 40.351 105.785 84.252 503 2HB GLU 72 2HB GLU 72 39.950 107.494 84.087 504 1HG GLU 72 1HG GLU 72 41.816 107.867 82.628 505 2HG GLU 72 2HG GLU 72 42.461 106.259 82.934 506 H GLN 73 H GLN 73 41.680 104.983 86.681 507 HA GLN 73 HA GLN 73 44.486 104.188 85.938 508 1HB GLN 73 1HB GLN 73 42.760 103.810 88.404 509 2HB GLN 73 2HB GLN 73 44.294 102.974 88.166 510 1HG GLN 73 1HG GLN 73 45.508 105.050 88.095 511 2HG GLN 73 2HG GLN 73 44.013 105.986 88.040 512 1HE2 GLN 73 1HE2 GLN 73 42.576 105.799 90.038 513 2HE2 GLN 73 2HE2 GLN 73 43.323 105.551 91.542 514 HA PRO 74 HA PRO 74 41.285 101.282 84.125 515 1HB PRO 74 1HB PRO 74 42.777 100.603 81.939 516 2HB PRO 74 2HB PRO 74 41.683 102.001 81.978 517 1HG PRO 74 1HG PRO 74 44.639 101.902 82.317 518 2HG PRO 74 2HG PRO 74 43.641 103.071 81.435 519 1HD PRO 74 1HD PRO 74 44.664 103.575 83.889 520 2HD PRO 74 2HD PRO 74 43.125 104.262 83.324 521 H TRP 75 H TRP 75 41.305 99.098 84.457 522 HA TRP 75 HA TRP 75 43.821 97.825 85.448 523 1HB TRP 75 1HB TRP 75 41.427 97.995 86.606 524 2HB TRP 75 2HB TRP 75 41.079 96.610 85.573 525 HD1 TRP 75 HD1 TRP 75 43.562 97.729 88.296 526 HE1 TRP 75 HE1 TRP 75 44.457 95.627 89.490 527 HE3 TRP 75 HE3 TRP 75 41.372 94.097 85.451 528 HZ2 TRP 75 HZ2 TRP 75 44.268 92.782 89.270 529 HZ3 TRP 75 HZ3 TRP 75 41.746 91.701 85.966 530 HH2 TRP 75 HH2 TRP 75 43.189 91.040 87.870 531 H LEU 76 H LEU 76 44.493 97.705 83.086 532 HA LEU 76 HA LEU 76 43.057 96.292 81.092 533 1HB LEU 76 1HB LEU 76 45.863 97.093 81.649 534 2HB LEU 76 2HB LEU 76 45.630 95.858 80.411 535 HG LEU 76 HG LEU 76 44.193 98.528 80.467 536 1HD1 LEU 76 1HD1 LEU 76 46.777 98.385 79.990 537 2HD1 LEU 76 2HD1 LEU 76 45.744 99.337 78.925 538 3HD1 LEU 76 3HD1 LEU 76 46.256 97.720 78.442 539 1HD2 LEU 76 1HD2 LEU 76 42.795 97.220 79.177 540 2HD2 LEU 76 2HD2 LEU 76 44.076 96.083 78.758 541 3HD2 LEU 76 3HD2 LEU 76 43.978 97.641 77.940 542 H ARG 77 H ARG 77 42.393 94.223 81.131 543 HA ARG 77 HA ARG 77 43.735 92.186 82.795 544 1HB ARG 77 1HB ARG 77 41.282 92.341 81.024 545 2HB ARG 77 2HB ARG 77 41.806 90.819 81.743 546 1HG ARG 77 1HG ARG 77 41.591 91.722 83.976 547 2HG ARG 77 2HG ARG 77 41.273 93.336 83.341 548 1HD ARG 77 1HD ARG 77 39.114 92.473 83.875 549 2HD ARG 77 2HD ARG 77 39.254 92.232 82.123 550 HE ARG 77 HE ARG 77 40.226 90.020 83.826 551 1HH1 ARG 77 1HH2 ARG 77 37.204 90.403 84.016 552 2HH1 ARG 77 2HH2 ARG 77 36.656 89.335 82.766 553 1HH2 ARG 77 2HH1 ARG 77 39.771 89.058 81.268 554 2HH2 ARG 77 1HH1 ARG 77 38.109 88.575 81.210 555 HA PRO 78 HA PRO 78 46.310 90.555 79.631 556 1HB PRO 78 1HB PRO 78 45.772 87.868 79.580 557 2HB PRO 78 2HB PRO 78 46.769 88.634 80.834 558 1HG PRO 78 1HG PRO 78 43.899 87.838 80.924 559 2HG PRO 78 2HG PRO 78 45.156 87.670 82.161 560 1HD PRO 78 1HD PRO 78 43.302 89.627 82.246 561 2HD PRO 78 2HD PRO 78 44.952 89.851 82.861 562 H GLY 79 H GLY 79 46.027 90.734 77.493 563 1HA GLY 79 1HA GLY 79 45.123 90.197 75.340 564 2HA GLY 79 2HA GLY 79 43.767 89.403 76.136 565 H GLU 80 H GLU 80 43.623 92.051 77.858 566 HA GLU 80 HA GLU 80 41.689 93.369 76.055 567 1HB GLU 80 1HB GLU 80 41.454 92.796 78.578 568 2HB GLU 80 2HB GLU 80 42.490 94.200 78.848 569 1HG GLU 80 1HG GLU 80 40.910 95.647 77.689 570 2HG GLU 80 2HG GLU 80 39.902 94.264 77.268 571 H ALA 81 H ALA 81 41.737 95.788 75.878 572 HA ALA 81 HA ALA 81 44.443 97.003 76.094 573 1HB ALA 81 1HB ALA 81 42.763 96.799 73.572 574 2HB ALA 81 2HB ALA 81 44.277 95.946 73.876 575 3HB ALA 81 3HB ALA 81 44.271 97.701 73.709 576 H PHE 82 H PHE 82 44.357 99.327 76.159 577 HA PHE 82 HA PHE 82 41.603 100.486 76.478 578 1HB PHE 82 1HB PHE 82 42.872 100.288 78.582 579 2HB PHE 82 2HB PHE 82 44.235 101.137 77.856 580 HD1 PHE 82 HD1 PHE 82 44.438 103.376 78.442 581 HD2 PHE 82 HD2 PHE 82 40.521 101.639 78.153 582 HE1 PHE 82 HE1 PHE 82 43.427 105.549 79.080 583 HE2 PHE 82 HE2 PHE 82 39.510 103.812 78.791 584 HZ PHE 82 HZ PHE 82 40.963 105.768 79.254 585 H HIS 83 H HIS 83 41.284 102.581 75.479 586 HA HIS 83 HA HIS 83 43.594 103.693 73.957 587 1HB HIS 83 1HB HIS 83 42.373 102.096 72.527 588 2HB HIS 83 2HB HIS 83 40.863 102.941 72.857 589 HD1 HIS 83 HD1 HIS 83 44.326 103.963 71.589 590 HD2 HIS 83 HD2 HIS 83 40.298 104.697 70.817 591 HE1 HIS 83 HE1 HIS 83 44.254 105.556 69.624 592 H TYR 84 H TYR 84 43.565 105.936 73.895 593 HA TYR 84 HA TYR 84 41.049 107.413 74.332 594 1HB TYR 84 1HB TYR 84 41.902 108.582 76.304 595 2HB TYR 84 2HB TYR 84 41.936 106.848 76.595 596 HD1 TYR 84 HD1 TYR 84 43.968 109.857 75.972 597 HD2 TYR 84 HD2 TYR 84 44.047 105.632 76.725 598 HE1 TYR 84 HE1 TYR 84 46.388 109.995 76.494 599 HE2 TYR 84 HE2 TYR 84 46.468 105.765 77.239 600 HH TYR 84 HH TYR 84 48.029 108.466 78.008 601 H THR 85 H THR 85 41.357 109.759 73.889 602 HA THR 85 HA THR 85 43.594 110.186 71.949 603 HB THR 85 HB THR 85 40.969 111.650 72.367 604 HG1 THR 85 HG1 THR 85 40.155 110.049 71.314 605 1HG2 THR 85 1HG2 THR 85 42.939 111.688 70.063 606 2HG2 THR 85 2HG2 THR 85 42.729 112.981 71.246 607 3HG2 THR 85 3HG2 THR 85 41.417 112.577 70.138 608 H SER 86 H SER 86 45.049 111.854 72.242 609 HA SER 86 HA SER 86 44.661 113.623 74.634 610 1HB SER 86 1HB SER 86 46.349 112.008 75.100 611 2HB SER 86 2HB SER 86 47.075 112.203 73.506 612 HG SER 86 HG SER 86 47.133 113.911 75.743 613 H GLY 87 H GLY 87 45.966 115.757 74.360 614 1HA GLY 87 1HA GLY 87 46.487 116.466 71.520 615 2HA GLY 87 2HA GLY 87 45.341 117.452 72.426 616 H VAL 88 H VAL 88 48.472 117.349 71.456 617 HA VAL 88 HA VAL 88 49.379 119.093 73.728 618 HB VAL 88 HB VAL 88 50.934 116.985 72.184 619 1HG1 VAL 88 1HG1 VAL 88 52.308 118.952 72.829 620 2HG1 VAL 88 2HG1 VAL 88 52.773 117.507 73.726 621 3HG1 VAL 88 3HG1 VAL 88 51.789 118.749 74.502 622 1HG2 VAL 88 1HG2 VAL 88 50.875 115.675 74.161 623 2HG2 VAL 88 2HG2 VAL 88 49.227 116.274 73.987 624 3HG2 VAL 88 3HG2 VAL 88 50.323 117.032 75.142 625 H LEU 89 H LEU 89 50.795 120.813 73.082 626 HA LEU 89 HA LEU 89 50.673 121.447 70.161 627 1HB LEU 89 1HB LEU 89 50.930 123.129 72.673 628 2HB LEU 89 2HB LEU 89 51.023 123.800 71.043 629 HG LEU 89 HG LEU 89 48.746 122.373 70.796 630 1HD1 LEU 89 1HD1 LEU 89 47.574 122.073 72.747 631 2HD1 LEU 89 2HD1 LEU 89 48.303 123.479 73.524 632 3HD1 LEU 89 3HD1 LEU 89 49.198 121.963 73.424 633 1HD2 LEU 89 1HD2 LEU 89 48.978 124.749 70.272 634 2HD2 LEU 89 2HD2 LEU 89 49.036 125.151 71.988 635 3HD2 LEU 89 3HD2 LEU 89 47.551 124.516 71.281 636 H LEU 90 H LEU 90 52.605 121.944 69.065 637 HA LEU 90 HA LEU 90 55.134 121.670 70.654 638 1HB LEU 90 1HB LEU 90 54.303 120.641 67.935 639 2HB LEU 90 2HB LEU 90 55.986 120.650 68.463 640 HG LEU 90 HG LEU 90 53.790 119.390 70.113 641 1HD1 LEU 90 1HD1 LEU 90 53.675 118.061 68.189 642 2HD1 LEU 90 2HD1 LEU 90 54.911 117.229 69.132 643 3HD1 LEU 90 3HD1 LEU 90 55.381 118.295 67.808 644 1HD2 LEU 90 1HD2 LEU 90 55.719 118.186 71.103 645 2HD2 LEU 90 2HD2 LEU 90 55.902 119.933 71.264 646 3HD2 LEU 90 3HD2 LEU 90 56.807 119.061 70.027 647 H GLU 91 H GLU 91 56.836 123.165 70.076 648 HA GLU 91 HA GLU 91 56.001 125.498 68.456 649 1HB GLU 91 1HB GLU 91 57.048 125.718 70.697 650 2HB GLU 91 2HB GLU 91 58.485 124.891 70.095 651 1HG GLU 91 1HG GLU 91 58.815 126.676 68.421 652 2HG GLU 91 2HG GLU 91 57.381 127.506 69.023 653 H THR 92 H THR 92 58.019 122.663 68.202 654 HA THR 92 HA THR 92 59.484 123.724 65.826 655 HB THR 92 HB THR 92 60.643 121.433 66.226 656 HG1 THR 92 HG1 THR 92 59.065 120.587 67.601 657 1HG2 THR 92 1HG2 THR 92 62.157 122.480 67.682 658 2HG2 THR 92 2HG2 THR 92 60.882 123.371 68.517 659 3HG2 THR 92 3HG2 THR 92 61.364 123.840 66.887 660 H GLU 93 H GLU 93 58.978 122.893 63.747 661 HA GLU 93 HA GLU 93 56.624 121.188 63.460 662 1HB GLU 93 1HB GLU 93 58.668 122.345 61.536 663 2HB GLU 93 2HB GLU 93 57.233 121.462 61.012 664 1HG GLU 93 1HG GLU 93 55.799 123.095 62.178 665 2HG GLU 93 2HG GLU 93 57.232 123.981 62.699 666 H GLN 94 H GLN 94 59.802 120.421 64.205 667 HA GLN 94 HA GLN 94 59.433 117.674 63.126 668 1HB GLN 94 1HB GLN 94 61.856 117.703 62.504 669 2HB GLN 94 2HB GLN 94 60.922 118.906 61.617 670 1HG GLN 94 1HG GLN 94 61.641 120.648 63.213 671 2HG GLN 94 2HG GLN 94 62.579 119.446 64.101 672 1HE2 GLN 94 1HE2 GLN 94 63.667 121.825 62.706 673 2HE2 GLN 94 2HE2 GLN 94 64.727 121.238 61.518 674 H GLY 95 H GLY 95 60.128 116.058 64.693 675 1HA GLY 95 1HA GLY 95 62.021 116.597 66.761 676 2HA GLY 95 2HA GLY 95 60.415 116.913 67.401 677 H GLN 96 H GLN 96 61.904 115.022 68.581 678 HA GLN 96 HA GLN 96 60.750 112.381 67.688 679 1HB GLN 96 1HB GLN 96 63.237 112.979 69.325 680 2HB GLN 96 2HB GLN 96 62.735 111.401 68.724 681 1HG GLN 96 1HG GLN 96 62.803 112.578 66.377 682 2HG GLN 96 2HG GLN 96 63.845 113.738 67.203 683 1HE2 GLN 96 1HE2 GLN 96 64.381 111.441 65.146 684 2HE2 GLN 96 2HE2 GLN 96 65.683 110.602 65.839 685 H MET 97 H MET 97 59.308 111.489 69.166 686 HA MET 97 HA MET 97 59.401 112.512 71.989 687 1HB MET 97 1HB MET 97 57.526 113.391 70.651 688 2HB MET 97 2HB MET 97 57.042 111.747 70.235 689 1HG MET 97 1HG MET 97 56.647 111.257 72.623 690 2HG MET 97 2HG MET 97 57.131 112.899 73.038 691 1HE MET 97 1HE MET 97 54.618 115.224 71.889 692 2HE MET 97 2HE MET 97 56.269 114.844 72.370 693 3HE MET 97 3HE MET 97 54.958 114.666 73.534 694 H GLN 98 H GLN 98 60.022 110.855 73.348 695 HA GLN 98 HA GLN 98 58.973 108.085 72.830 696 1HB GLN 98 1HB GLN 98 61.399 108.425 72.287 697 2HB GLN 98 2HB GLN 98 61.658 108.973 73.943 698 1HG GLN 98 1HG GLN 98 60.859 106.799 74.794 699 2HG GLN 98 2HG GLN 98 60.603 106.246 73.138 700 1HE2 GLN 98 1HE2 GLN 98 62.245 104.643 73.000 701 2HE2 GLN 98 2HE2 GLN 98 63.897 104.979 73.198 702 H GLY 99 H GLY 99 58.407 106.952 74.828 703 1HA GLY 99 1HA GLY 99 58.844 108.309 77.398 704 2HA GLY 99 2HA GLY 99 57.167 108.351 76.860 705 H HIS 100 H HIS 100 57.442 107.102 79.159 706 HA HIS 100 HA HIS 100 57.213 104.213 78.447 707 1HB HIS 100 1HB HIS 100 58.717 105.489 80.757 708 2HB HIS 100 2HB HIS 100 58.410 103.759 80.631 709 HD1 HIS 100 HD1 HIS 100 60.049 106.535 78.589 710 HD2 HIS 100 HD2 HIS 100 60.322 102.415 79.158 711 HE1 HIS 100 HE1 HIS 100 62.038 105.754 77.229 712 H TYR 101 H TYR 101 55.815 103.022 79.916 713 HA TYR 101 HA TYR 101 53.913 104.772 81.433 714 1HB TYR 101 1HB TYR 101 53.625 102.336 79.690 715 2HB TYR 101 2HB TYR 101 52.407 102.661 80.918 716 HD1 TYR 101 HD1 TYR 101 52.269 105.643 80.866 717 HD2 TYR 101 HD2 TYR 101 52.581 102.804 77.652 718 HE1 TYR 101 HE1 TYR 101 51.185 107.257 79.334 719 HE2 TYR 101 HE2 TYR 101 51.494 104.423 76.123 720 HH TYR 101 HH TYR 101 50.105 106.351 76.170 721 H ASP 102 H ASP 102 53.793 104.312 83.669 722 HA ASP 102 HA ASP 102 55.262 101.961 84.717 723 1HB ASP 102 1HB ASP 102 53.753 104.307 85.932 724 2HB ASP 102 2HB ASP 102 54.532 103.055 86.898 725 H MET 103 H MET 103 54.302 100.084 84.894 726 HA MET 103 HA MET 103 51.320 99.949 85.281 727 1HB MET 103 1HB MET 103 52.572 99.261 83.063 728 2HB MET 103 2HB MET 103 52.986 97.815 83.984 729 1HG MET 103 1HG MET 103 50.797 97.092 84.100 730 2HG MET 103 2HG MET 103 50.144 98.728 84.032 731 1HE MET 103 1HE MET 103 49.469 99.653 80.717 732 2HE MET 103 2HE MET 103 51.092 100.143 81.195 733 3HE MET 103 3HE MET 103 49.812 100.067 82.403 734 H VAL 104 H VAL 104 50.615 98.016 86.496 735 HA VAL 104 HA VAL 104 52.726 96.717 88.163 736 HB VAL 104 HB VAL 104 51.188 97.167 90.156 737 1HG1 VAL 104 1HG1 VAL 104 52.512 99.494 88.739 738 2HG1 VAL 104 2HG1 VAL 104 53.289 98.361 89.847 739 3HG1 VAL 104 3HG1 VAL 104 52.059 99.475 90.443 740 1HG2 VAL 104 1HG2 VAL 104 50.075 99.328 88.341 741 2HG2 VAL 104 2HG2 VAL 104 49.589 98.965 89.997 742 3HG2 VAL 104 3HG2 VAL 104 49.217 97.830 88.702 743 H ALA 105 H ALA 105 52.309 94.543 88.348 744 HA ALA 105 HA ALA 105 49.920 93.334 87.171 745 1HB ALA 105 1HB ALA 105 51.075 91.291 88.341 746 2HB ALA 105 2HB ALA 105 52.378 92.435 88.663 747 3HB ALA 105 3HB ALA 105 51.906 92.082 87.001 748 H ASP 106 H ASP 106 48.579 91.762 88.493 749 HA ASP 106 HA ASP 106 47.339 93.117 90.716 750 1HB ASP 106 1HB ASP 106 46.331 91.471 89.068 751 2HB ASP 106 2HB ASP 106 47.167 90.189 89.944 752 H ASP 107 H ASP 107 49.860 90.651 90.498 753 HA ASP 107 HA ASP 107 49.751 89.875 93.294 754 1HB ASP 107 1HB ASP 107 51.848 88.701 92.691 755 2HB ASP 107 2HB ASP 107 50.593 88.438 91.485 756 H GLY 108 H GLY 108 50.815 92.761 91.877 757 1HA GLY 108 1HA GLY 108 51.682 94.554 93.255 758 2HA GLY 108 2HA GLY 108 52.440 93.349 94.292 759 H THR 109 H THR 109 53.220 92.108 91.417 760 HA THR 109 HA THR 109 55.949 92.866 91.468 761 HB THR 109 HB THR 109 54.247 91.938 89.130 762 HG1 THR 109 HG1 THR 109 55.645 90.539 91.161 763 1HG2 THR 109 1HG2 THR 109 57.081 91.119 89.471 764 2HG2 THR 109 2HG2 THR 109 56.803 92.791 88.980 765 3HG2 THR 109 3HG2 THR 109 56.179 91.466 87.996 766 H GLU 110 H GLU 110 57.032 94.661 90.613 767 HA GLU 110 HA GLU 110 55.361 96.719 89.255 768 1HB GLU 110 1HB GLU 110 58.023 96.735 90.702 769 2HB GLU 110 2HB GLU 110 57.376 98.155 89.879 770 1HG GLU 110 1HG GLU 110 55.344 98.044 91.273 771 2HG GLU 110 2HG GLU 110 55.989 96.627 92.102 772 H PHE 111 H PHE 111 55.837 97.439 87.194 773 HA PHE 111 HA PHE 111 58.367 96.885 85.844 774 1HB PHE 111 1HB PHE 111 57.534 95.240 84.290 775 2HB PHE 111 2HB PHE 111 57.103 94.674 85.899 776 HD1 PHE 111 HD1 PHE 111 55.865 95.914 82.698 777 HD2 PHE 111 HD2 PHE 111 54.748 94.873 86.713 778 HE1 PHE 111 HE1 PHE 111 53.483 95.850 82.016 779 HE2 PHE 111 HE2 PHE 111 52.364 94.810 86.031 780 HZ PHE 111 HZ PHE 111 51.734 95.298 83.681 781 H ILE 112 H ILE 112 58.595 98.186 84.036 782 HA ILE 112 HA ILE 112 56.400 100.147 83.567 783 HB ILE 112 HB ILE 112 59.354 100.129 82.856 784 1HG1 ILE 112 1HG1 ILE 112 57.896 101.727 84.981 785 2HG1 ILE 112 2HG1 ILE 112 58.742 100.216 85.318 786 1HG2 ILE 112 1HG2 ILE 112 58.937 102.602 82.525 787 2HG2 ILE 112 2HG2 ILE 112 57.210 102.259 82.627 788 3HG2 ILE 112 3HG2 ILE 112 58.170 101.567 81.319 789 1HD1 ILE 112 1HD1 ILE 112 60.849 101.151 84.598 790 2HD1 ILE 112 2HD1 ILE 112 60.124 102.284 85.740 791 3HD1 ILE 112 3HD1 ILE 112 60.053 102.611 84.008 792 H ALA 113 H ALA 113 55.898 100.758 81.348 793 HA ALA 113 HA ALA 113 56.467 98.617 79.325 794 1HB ALA 113 1HB ALA 113 54.009 100.188 80.089 795 2HB ALA 113 2HB ALA 113 54.170 98.451 79.830 796 3HB ALA 113 3HB ALA 113 54.165 99.551 78.452 797 HA PRO 114 HA PRO 114 58.444 102.458 77.797 798 1HB PRO 114 1HB PRO 114 59.870 101.231 75.828 799 2HB PRO 114 2HB PRO 114 60.425 101.304 77.513 800 1HG PRO 114 1HG PRO 114 59.093 99.075 76.057 801 2HG PRO 114 2HG PRO 114 60.438 99.027 77.208 802 1HD PRO 114 1HD PRO 114 57.906 98.390 77.901 803 2HD PRO 114 2HD PRO 114 59.057 99.127 79.037 804 H ILE 115 H ILE 115 57.876 103.720 76.154 805 HA ILE 115 HA ILE 115 55.921 102.668 74.130 806 HB ILE 115 HB ILE 115 56.456 105.502 75.095 807 1HG1 ILE 115 1HG1 ILE 115 54.063 103.793 75.797 808 2HG1 ILE 115 2HG1 ILE 115 55.506 103.809 76.810 809 1HG2 ILE 115 1HG2 ILE 115 54.084 105.756 74.092 810 2HG2 ILE 115 2HG2 ILE 115 54.422 104.233 73.269 811 3HG2 ILE 115 3HG2 ILE 115 55.442 105.642 72.972 812 1HD1 ILE 115 1HD1 ILE 115 55.241 106.418 76.665 813 2HD1 ILE 115 2HD1 ILE 115 54.234 105.503 77.787 814 3HD1 ILE 115 3HD1 ILE 115 53.572 106.035 76.241 815 H ALA 116 H ALA 116 56.764 102.462 72.111 816 HA ALA 116 HA ALA 116 59.359 103.016 71.261 817 1HB ALA 116 1HB ALA 116 58.517 102.546 69.101 818 2HB ALA 116 2HB ALA 116 56.957 103.287 69.457 819 3HB ALA 116 3HB ALA 116 57.383 101.738 70.184 820 H ALA 117 H ALA 117 60.301 104.725 69.981 821 HA ALA 117 HA ALA 117 59.121 107.404 70.509 822 1HB ALA 117 1HB ALA 117 61.369 108.157 70.271 823 2HB ALA 117 2HB ALA 117 61.843 106.698 69.400 824 3HB ALA 117 3HB ALA 117 61.493 106.620 71.128 825 H PHE 118 H PHE 118 57.941 108.260 68.839 826 HA PHE 118 HA PHE 118 58.641 107.485 66.035 827 1HB PHE 118 1HB PHE 118 56.316 108.279 65.564 828 2HB PHE 118 2HB PHE 118 56.347 106.985 66.757 829 HD1 PHE 118 HD1 PHE 118 55.640 107.350 69.019 830 HD2 PHE 118 HD2 PHE 118 56.011 110.656 66.301 831 HE1 PHE 118 HE1 PHE 118 54.457 108.811 70.636 832 HE2 PHE 118 HE2 PHE 118 54.828 112.116 67.920 833 HZ PHE 118 HZ PHE 118 54.052 111.194 70.086 834 H VAL 119 H VAL 119 58.286 109.399 64.440 835 HA VAL 119 HA VAL 119 59.445 111.866 65.683 836 HB VAL 119 HB VAL 119 59.617 110.743 62.863 837 1HG1 VAL 119 1HG1 VAL 119 61.293 112.496 62.494 838 2HG1 VAL 119 2HG1 VAL 119 61.073 113.078 64.144 839 3HG1 VAL 119 3HG1 VAL 119 59.761 113.224 62.974 840 1HG2 VAL 119 1HG2 VAL 119 62.137 110.679 63.738 841 2HG2 VAL 119 2HG2 VAL 119 61.029 109.343 64.052 842 3HG2 VAL 119 3HG2 VAL 119 61.337 110.546 65.305 843 H LEU 120 H LEU 120 58.666 113.902 64.893 844 HA LEU 120 HA LEU 120 55.909 113.785 63.714 845 1HB LEU 120 1HB LEU 120 57.307 115.700 65.609 846 2HB LEU 120 2HB LEU 120 55.756 116.071 64.860 847 HG LEU 120 HG LEU 120 54.887 113.888 65.833 848 1HD1 LEU 120 1HD1 LEU 120 56.634 112.550 66.494 849 2HD1 LEU 120 2HD1 LEU 120 56.385 113.405 68.017 850 3HD1 LEU 120 3HD1 LEU 120 57.662 113.919 66.915 851 1HD2 LEU 120 1HD2 LEU 120 54.223 115.913 66.902 852 2HD2 LEU 120 2HD2 LEU 120 55.828 116.166 67.587 853 3HD2 LEU 120 3HD2 LEU 120 54.801 114.870 68.201 854 H SER 121 H SER 121 55.628 114.793 61.758 855 HA SER 121 HA SER 121 57.462 116.945 60.881 856 1HB SER 121 1HB SER 121 58.394 114.571 60.391 857 2HB SER 121 2HB SER 121 57.111 114.468 59.189 858 HG SER 121 HG SER 121 58.970 115.301 58.238
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