NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
11983 | 1sbj | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 81 1HT MET 81 94.205 -13.364 6.533 2 2H MET 81 2HT MET 81 94.824 -12.076 5.584 3 3H MET 81 3HT MET 81 94.065 -13.414 4.824 4 HA MET 81 HA MET 81 92.735 -11.349 4.987 5 1HB MET 81 2HB MET 81 92.031 -14.115 5.761 6 2HB MET 81 1HB MET 81 90.821 -12.895 6.136 7 1HG MET 81 2HG MET 81 90.295 -12.556 3.979 8 2HG MET 81 1HG MET 81 91.956 -12.764 3.428 9 1HE MET 81 1HE MET 81 89.607 -14.262 1.517 10 2HE MET 81 2HE MET 81 90.840 -15.486 1.214 11 3HE MET 81 3HE MET 81 91.306 -13.797 1.425 12 H VAL 82 H VAL 82 92.905 -13.197 8.037 13 HA VAL 82 HA VAL 82 92.009 -10.810 9.480 14 HB VAL 82 HB VAL 82 90.795 -12.898 9.933 15 1HG1 VAL 82 1HG1 VAL 82 91.880 -14.734 11.124 16 2HG1 VAL 82 2HG1 VAL 82 93.431 -13.907 10.992 17 3HG1 VAL 82 3HG1 VAL 82 92.611 -14.477 9.540 18 1HG2 VAL 82 1HG2 VAL 82 91.094 -11.127 11.675 19 2HG2 VAL 82 2HG2 VAL 82 92.417 -12.087 12.338 20 3HG2 VAL 82 3HG2 VAL 82 90.780 -12.740 12.315 21 H ARG 83 H ARG 83 94.653 -13.144 9.349 22 HA ARG 83 HA ARG 83 96.355 -11.211 10.736 23 1HB ARG 83 2HB ARG 83 95.435 -13.689 11.869 24 2HB ARG 83 1HB ARG 83 97.178 -13.755 11.652 25 1HG ARG 83 2HG ARG 83 97.573 -12.210 13.243 26 2HG ARG 83 1HG ARG 83 96.129 -11.276 12.847 27 1HD ARG 83 2HD ARG 83 94.885 -12.334 14.381 28 2HD ARG 83 1HD ARG 83 95.551 -13.912 13.965 29 HE ARG 83 HE ARG 83 97.576 -12.732 15.309 30 1HH1 ARG 83 1HH1 ARG 83 94.196 -13.208 16.041 31 2HH1 ARG 83 2HH1 ARG 83 94.449 -13.286 17.751 32 1HH2 ARG 83 1HH2 ARG 83 97.910 -12.836 17.559 33 2HH2 ARG 83 2HH2 ARG 83 96.558 -13.074 18.614 34 H CYS 84 H CYS 84 96.251 -14.352 9.072 35 HA CYS 84 HA CYS 84 98.980 -14.047 8.151 36 1HB CYS 84 2HB CYS 84 96.947 -16.195 8.155 37 2HB CYS 84 1HB CYS 84 98.053 -16.198 6.786 38 HG CYS 84 HG CYS 84 99.442 -17.495 8.358 39 H MET 85 H MET 85 99.366 -12.686 6.533 40 HA MET 85 HA MET 85 98.015 -13.024 4.015 41 1HB MET 85 2HB MET 85 96.684 -11.344 5.547 42 2HB MET 85 1HB MET 85 97.949 -10.223 5.062 43 1HG MET 85 2HG MET 85 96.064 -9.966 3.610 44 2HG MET 85 1HG MET 85 97.401 -10.671 2.702 45 1HE MET 85 1HE MET 85 95.224 -10.548 1.336 46 2HE MET 85 2HE MET 85 93.851 -11.644 1.495 47 3HE MET 85 3HE MET 85 95.298 -12.163 0.631 48 H LYS 86 H LYS 86 99.408 -12.684 2.399 49 HA LYS 86 HA LYS 86 101.303 -12.130 1.273 50 1HB LYS 86 2HB LYS 86 100.434 -9.780 2.565 51 2HB LYS 86 1HB LYS 86 102.178 -9.842 2.789 52 1HG LYS 86 2HG LYS 86 102.548 -9.938 0.433 53 2HG LYS 86 1HG LYS 86 100.823 -10.136 0.118 54 1HD LYS 86 2HD LYS 86 100.384 -7.906 0.972 55 2HD LYS 86 1HD LYS 86 102.088 -7.708 1.391 56 1HE LYS 86 2HE LYS 86 102.731 -7.739 -0.904 57 2HE LYS 86 1HE LYS 86 101.115 -8.225 -1.412 58 1HZ LYS 86 1HZ LYS 86 100.554 -5.964 -0.149 59 2HZ LYS 86 2HZ LYS 86 100.923 -6.027 -1.798 60 3HZ LYS 86 3HZ LYS 86 102.119 -5.596 -0.681 61 H ASP 87 H ASP 87 103.738 -11.232 1.857 62 HA ASP 87 HA ASP 87 104.705 -13.203 3.790 63 1HB ASP 87 2HB ASP 87 106.935 -12.746 2.732 64 2HB ASP 87 1HB ASP 87 105.725 -13.383 1.623 65 H ASP 88 H ASP 88 106.614 -12.587 5.124 66 HA ASP 88 HA ASP 88 106.013 -10.395 6.766 67 1HB ASP 88 2HB ASP 88 107.637 -12.588 6.977 68 2HB ASP 88 1HB ASP 88 108.815 -11.288 6.830 69 H SER 89 H SER 89 106.319 -8.302 6.444 70 HA SER 89 HA SER 89 108.580 -7.449 4.757 71 1HB SER 89 2HB SER 89 106.326 -7.222 3.637 72 2HB SER 89 1HB SER 89 105.904 -6.045 4.882 73 HG SER 89 HG SER 89 106.711 -4.876 3.211 74 H LYS 90 H LYS 90 109.721 -7.253 6.806 75 HA LYS 90 HA LYS 90 108.881 -5.539 8.878 76 1HB LYS 90 2HB LYS 90 111.172 -7.136 8.267 77 2HB LYS 90 1HB LYS 90 111.722 -5.540 8.758 78 1HG LYS 90 2HG LYS 90 111.619 -6.516 10.797 79 2HG LYS 90 1HG LYS 90 109.953 -5.943 10.694 80 1HD LYS 90 2HD LYS 90 109.779 -8.176 11.398 81 2HD LYS 90 1HD LYS 90 109.414 -8.219 9.672 82 1HE LYS 90 2HE LYS 90 112.243 -8.518 10.122 83 2HE LYS 90 1HE LYS 90 111.339 -9.716 11.047 84 1HZ LYS 90 1HZ LYS 90 111.127 -9.233 8.124 85 2HZ LYS 90 2HZ LYS 90 110.190 -10.340 8.993 86 3HZ LYS 90 3HZ LYS 90 111.861 -10.563 8.869 87 H GLY 91 H GLY 91 110.596 -3.656 9.464 88 1HA GLY 91 2HA GLY 91 110.030 -1.593 7.565 89 2HA GLY 91 1HA GLY 91 110.944 -1.412 9.054 90 H LYS 92 H LYS 92 113.035 -0.975 8.853 91 HA LYS 92 HA LYS 92 114.261 -1.150 6.224 92 1HB LYS 92 2HB LYS 92 115.241 0.046 8.821 93 2HB LYS 92 1HB LYS 92 116.132 0.098 7.306 94 1HG LYS 92 2HG LYS 92 114.291 1.362 6.285 95 2HG LYS 92 1HG LYS 92 113.443 1.346 7.833 96 1HD LYS 92 2HD LYS 92 116.166 2.555 7.343 97 2HD LYS 92 1HD LYS 92 114.653 3.457 7.445 98 1HE LYS 92 2HE LYS 92 114.970 3.611 9.640 99 2HE LYS 92 1HE LYS 92 114.735 1.867 9.745 100 1HZ LYS 92 1HZ LYS 92 117.183 3.418 9.880 101 2HZ LYS 92 2HZ LYS 92 117.285 1.978 8.999 102 3HZ LYS 92 3HZ LYS 92 116.791 1.945 10.616 103 H THR 93 H THR 93 115.297 -2.935 5.638 104 HA THR 93 HA THR 93 116.638 -4.534 7.715 105 HB THR 93 HB THR 93 114.815 -5.708 6.547 106 HG1 THR 93 HG1 THR 93 116.053 -7.516 5.941 107 1HG2 THR 93 1HG2 THR 93 116.460 -5.542 4.043 108 2HG2 THR 93 2HG2 THR 93 115.077 -4.497 4.363 109 3HG2 THR 93 3HG2 THR 93 114.855 -6.243 4.253 110 H GLU 94 H GLU 94 118.253 -6.097 6.147 111 HA GLU 94 HA GLU 94 120.520 -4.522 5.801 112 1HB GLU 94 2HB GLU 94 119.755 -7.276 4.915 113 2HB GLU 94 1HB GLU 94 121.254 -6.568 4.330 114 1HG GLU 94 2HG GLU 94 122.172 -7.424 6.164 115 2HG GLU 94 1HG GLU 94 121.401 -6.083 7.013 116 H GLU 95 H GLU 95 118.343 -5.855 3.323 117 HA GLU 95 HA GLU 95 119.512 -5.018 1.024 118 1HB GLU 95 2HB GLU 95 117.375 -6.288 1.202 119 2HB GLU 95 1HB GLU 95 116.554 -4.783 1.591 120 1HG GLU 95 2HG GLU 95 117.450 -3.911 -0.624 121 2HG GLU 95 1HG GLU 95 117.842 -5.590 -0.991 122 H GLU 96 H GLU 96 117.936 -3.014 3.398 123 HA GLU 96 HA GLU 96 117.462 -0.707 1.914 124 1HB GLU 96 2HB GLU 96 118.311 -0.962 4.804 125 2HB GLU 96 1HB GLU 96 117.682 0.507 4.073 126 1HG GLU 96 2HG GLU 96 116.125 -2.051 4.049 127 2HG GLU 96 1HG GLU 96 116.074 -0.941 5.417 128 H LEU 97 H LEU 97 120.440 -2.011 3.178 129 HA LEU 97 HA LEU 97 122.016 0.329 2.937 130 1HB LEU 97 2HB LEU 97 122.447 -2.506 3.486 131 2HB LEU 97 1HB LEU 97 123.763 -1.780 2.584 132 HG LEU 97 HG LEU 97 122.710 -0.602 5.149 133 1HD1 LEU 97 1HD1 LEU 97 125.264 -2.093 5.124 134 2HD1 LEU 97 2HD1 LEU 97 123.780 -3.048 5.106 135 3HD1 LEU 97 3HD1 LEU 97 124.073 -1.896 6.410 136 1HD2 LEU 97 1HD2 LEU 97 125.420 -0.274 3.899 137 2HD2 LEU 97 2HD2 LEU 97 124.650 0.715 5.141 138 3HD2 LEU 97 3HD2 LEU 97 124.061 0.770 3.478 139 H SER 98 H SER 98 120.666 -1.731 0.598 140 HA SER 98 HA SER 98 122.616 -1.714 -1.410 141 1HB SER 98 2HB SER 98 120.839 -2.273 -2.939 142 2HB SER 98 1HB SER 98 120.509 -3.084 -1.410 143 HG SER 98 HG SER 98 119.154 -1.165 -0.953 144 H ASP 99 H ASP 99 120.256 0.686 -0.436 145 HA ASP 99 HA ASP 99 120.549 2.378 -2.700 146 1HB ASP 99 2HB ASP 99 118.657 2.349 -0.948 147 2HB ASP 99 1HB ASP 99 119.738 3.328 0.040 148 H LEU 100 H LEU 100 122.282 2.002 0.301 149 HA LEU 100 HA LEU 100 123.737 4.476 0.040 150 1HB LEU 100 2HB LEU 100 123.903 2.127 1.903 151 2HB LEU 100 1HB LEU 100 125.140 3.369 1.904 152 HG LEU 100 HG LEU 100 122.331 4.289 2.143 153 1HD1 LEU 100 1HD1 LEU 100 123.795 2.990 4.436 154 2HD1 LEU 100 2HD1 LEU 100 122.387 2.321 3.612 155 3HD1 LEU 100 3HD1 LEU 100 122.245 3.826 4.518 156 1HD2 LEU 100 1HD2 LEU 100 123.469 5.790 3.820 157 2HD2 LEU 100 2HD2 LEU 100 124.010 5.958 2.151 158 3HD2 LEU 100 3HD2 LEU 100 124.993 5.065 3.311 159 H PHE 101 H PHE 101 124.196 1.124 -0.823 160 HA PHE 101 HA PHE 101 126.981 1.212 -1.283 161 1HB PHE 101 2HB PHE 101 125.689 -0.890 -1.061 162 2HB PHE 101 1HB PHE 101 124.916 -0.560 -2.608 163 HD1 PHE 101 HD1 PHE 101 128.475 -0.159 -1.608 164 HD2 PHE 101 HD2 PHE 101 125.655 -2.242 -4.020 165 HE1 PHE 101 HE1 PHE 101 130.317 -1.303 -2.767 166 HE2 PHE 101 HE2 PHE 101 127.494 -3.392 -5.182 167 HZ PHE 101 HZ PHE 101 129.828 -2.922 -4.557 168 H ARG 102 H ARG 102 124.191 1.762 -3.399 169 HA ARG 102 HA ARG 102 125.617 2.083 -5.795 170 1HB ARG 102 2HB ARG 102 123.160 1.758 -5.644 171 2HB ARG 102 1HB ARG 102 123.006 3.388 -5.001 172 1HG ARG 102 2HG ARG 102 124.038 4.230 -7.117 173 2HG ARG 102 1HG ARG 102 123.926 2.584 -7.748 174 1HD ARG 102 2HD ARG 102 121.582 4.173 -6.714 175 2HD ARG 102 1HD ARG 102 122.037 4.073 -8.414 176 HE ARG 102 HE ARG 102 121.796 1.480 -7.696 177 1HH1 ARG 102 1HH1 ARG 102 119.693 4.245 -7.357 178 2HH1 ARG 102 2HH1 ARG 102 118.240 3.308 -7.444 179 1HH2 ARG 102 1HH2 ARG 102 119.885 0.246 -7.810 180 2HH2 ARG 102 2HH2 ARG 102 118.348 1.038 -7.699 181 H MET 103 H MET 103 124.886 4.303 -3.181 182 HA MET 103 HA MET 103 125.493 6.723 -4.433 183 1HB MET 103 2HB MET 103 125.912 5.919 -1.548 184 2HB MET 103 1HB MET 103 125.948 7.572 -2.150 185 1HG MET 103 2HG MET 103 123.526 6.070 -2.834 186 2HG MET 103 1HG MET 103 123.770 6.341 -1.111 187 1HE MET 103 1HE MET 103 123.798 9.349 -0.143 188 2HE MET 103 2HE MET 103 122.855 7.863 -0.025 189 3HE MET 103 3HE MET 103 122.085 9.358 -0.558 190 H PHE 104 H PHE 104 127.575 4.300 -2.966 191 HA PHE 104 HA PHE 104 129.957 5.855 -3.068 192 1HB PHE 104 2HB PHE 104 129.283 3.003 -2.539 193 2HB PHE 104 1HB PHE 104 130.945 3.381 -2.979 194 HD1 PHE 104 HD1 PHE 104 132.320 3.454 -1.151 195 HD2 PHE 104 HD2 PHE 104 128.371 5.007 -0.814 196 HE1 PHE 104 HE1 PHE 104 132.784 4.118 1.172 197 HE2 PHE 104 HE2 PHE 104 128.828 5.673 1.509 198 HZ PHE 104 HZ PHE 104 131.035 5.230 2.505 199 H ASP 105 H ASP 105 128.210 3.990 -5.387 200 HA ASP 105 HA ASP 105 130.486 3.776 -7.188 201 1HB ASP 105 2HB ASP 105 127.886 2.491 -6.928 202 2HB ASP 105 1HB ASP 105 128.215 2.980 -8.587 203 H LYS 106 H LYS 106 130.641 4.825 -9.170 204 HA LYS 106 HA LYS 106 128.912 7.191 -9.443 205 1HB LYS 106 2HB LYS 106 131.678 6.795 -10.593 206 2HB LYS 106 1HB LYS 106 130.741 8.284 -10.575 207 1HG LYS 106 2HG LYS 106 131.391 6.979 -7.984 208 2HG LYS 106 1HG LYS 106 132.657 7.860 -8.839 209 1HD LYS 106 2HD LYS 106 131.784 9.558 -7.579 210 2HD LYS 106 1HD LYS 106 130.769 9.699 -9.015 211 1HE LYS 106 2HE LYS 106 129.078 9.622 -7.537 212 2HE LYS 106 1HE LYS 106 129.367 7.883 -7.577 213 1HZ LYS 106 1HZ LYS 106 129.242 8.734 -5.311 214 2HZ LYS 106 2HZ LYS 106 130.542 9.775 -5.610 215 3HZ LYS 106 3HZ LYS 106 130.778 8.100 -5.638 216 H ASN 107 H ASN 107 130.409 4.518 -11.185 217 HA ASN 107 HA ASN 107 128.948 5.239 -13.615 218 1HB ASN 107 2HB ASN 107 130.305 3.497 -14.704 219 2HB ASN 107 1HB ASN 107 131.312 4.683 -13.878 220 1HD2 ASN 107 1HD2 ASN 107 132.014 2.009 -14.639 221 2HD2 ASN 107 2HD2 ASN 107 132.412 1.160 -13.187 222 H ALA 108 H ALA 108 128.201 3.621 -10.904 223 HA ALA 108 HA ALA 108 126.783 1.931 -10.327 224 1HB ALA 108 1HB ALA 108 124.857 1.673 -12.067 225 2HB ALA 108 2HB ALA 108 125.613 3.076 -12.822 226 3HB ALA 108 3HB ALA 108 125.034 3.175 -11.159 227 H ASP 109 H ASP 109 128.773 0.530 -10.785 228 HA ASP 109 HA ASP 109 128.128 -1.419 -12.900 229 1HB ASP 109 2HB ASP 109 130.525 -1.992 -12.936 230 2HB ASP 109 1HB ASP 109 130.253 -0.297 -13.324 231 H GLY 110 H GLY 110 128.172 -0.946 -9.582 232 1HA GLY 110 2HA GLY 110 127.428 -2.556 -8.031 233 2HA GLY 110 1HA GLY 110 127.919 -3.822 -9.145 234 H TYR 111 H TYR 111 130.545 -2.178 -9.390 235 HA TYR 111 HA TYR 111 131.743 -3.082 -6.857 236 1HB TYR 111 2HB TYR 111 132.998 -3.324 -9.600 237 2HB TYR 111 1HB TYR 111 133.712 -3.845 -8.077 238 HD1 TYR 111 HD1 TYR 111 133.516 -6.068 -7.479 239 HD2 TYR 111 HD2 TYR 111 130.641 -4.399 -10.133 240 HE1 TYR 111 HE1 TYR 111 132.489 -8.286 -7.749 241 HE2 TYR 111 HE2 TYR 111 129.605 -6.612 -10.411 242 HH TYR 111 HH TYR 111 129.549 -8.832 -8.819 243 H ILE 112 H ILE 112 133.266 -1.752 -5.952 244 HA ILE 112 HA ILE 112 133.657 0.839 -7.292 245 HB ILE 112 HB ILE 112 133.953 0.248 -4.347 246 1HG1 ILE 112 2HG1 ILE 112 131.678 1.791 -5.557 247 2HG1 ILE 112 1HG1 ILE 112 131.597 0.035 -5.448 248 1HG2 ILE 112 1HG2 ILE 112 134.214 2.683 -6.037 249 2HG2 ILE 112 2HG2 ILE 112 135.174 2.158 -4.655 250 3HG2 ILE 112 3HG2 ILE 112 133.572 2.853 -4.403 251 1HD1 ILE 112 1HD1 ILE 112 132.139 1.790 -3.075 252 2HD1 ILE 112 2HD1 ILE 112 131.684 0.088 -3.093 253 3HD1 ILE 112 3HD1 ILE 112 130.517 1.318 -3.577 254 H ASP 113 H ASP 113 135.652 1.585 -7.715 255 HA ASP 113 HA ASP 113 137.916 -0.141 -6.968 256 1HB ASP 113 2HB ASP 113 137.186 0.530 -9.461 257 2HB ASP 113 1HB ASP 113 138.221 1.909 -9.100 258 H LEU 114 H LEU 114 140.066 1.301 -7.159 259 HA LEU 114 HA LEU 114 140.028 2.991 -4.899 260 1HB LEU 114 2HB LEU 114 142.054 2.277 -6.970 261 2HB LEU 114 1HB LEU 114 142.378 3.628 -5.902 262 HG LEU 114 HG LEU 114 141.686 1.755 -4.083 263 1HD1 LEU 114 1HD1 LEU 114 143.081 0.247 -6.287 264 2HD1 LEU 114 2HD1 LEU 114 141.395 0.037 -5.816 265 3HD1 LEU 114 3HD1 LEU 114 142.684 -0.366 -4.683 266 1HD2 LEU 114 1HD2 LEU 114 144.236 2.698 -5.241 267 2HD2 LEU 114 2HD2 LEU 114 144.313 1.272 -4.207 268 3HD2 LEU 114 3HD2 LEU 114 143.642 2.778 -3.582 269 H GLU 115 H GLU 115 139.825 3.601 -8.337 270 HA GLU 115 HA GLU 115 140.274 6.414 -8.166 271 1HB GLU 115 2HB GLU 115 140.237 4.613 -10.212 272 2HB GLU 115 1HB GLU 115 138.692 5.418 -10.443 273 1HG GLU 115 2HG GLU 115 139.936 7.598 -10.373 274 2HG GLU 115 1HG GLU 115 141.427 6.659 -10.421 275 H GLU 116 H GLU 116 137.405 4.357 -8.254 276 HA GLU 116 HA GLU 116 135.524 6.470 -8.428 277 1HB GLU 116 2HB GLU 116 135.395 3.566 -7.742 278 2HB GLU 116 1HB GLU 116 134.007 4.582 -7.381 279 1HG GLU 116 2HG GLU 116 133.369 4.632 -9.505 280 2HG GLU 116 1HG GLU 116 134.996 5.017 -10.066 281 H LEU 117 H LEU 117 136.335 4.367 -5.663 282 HA LEU 117 HA LEU 117 134.914 5.666 -3.701 283 1HB LEU 117 2HB LEU 117 136.094 3.534 -3.389 284 2HB LEU 117 1HB LEU 117 137.629 4.381 -3.414 285 HG LEU 117 HG LEU 117 136.872 5.643 -1.373 286 1HD1 LEU 117 1HD1 LEU 117 135.052 4.132 -0.148 287 2HD1 LEU 117 2HD1 LEU 117 134.516 3.906 -1.814 288 3HD1 LEU 117 3HD1 LEU 117 134.621 5.530 -1.132 289 1HD2 LEU 117 1HD2 LEU 117 138.161 3.296 -1.584 290 2HD2 LEU 117 2HD2 LEU 117 136.784 2.797 -0.601 291 3HD2 LEU 117 3HD2 LEU 117 137.841 4.096 -0.044 292 H LYS 118 H LYS 118 137.871 6.668 -5.227 293 HA LYS 118 HA LYS 118 138.724 8.530 -3.275 294 1HB LYS 118 2HB LYS 118 140.030 7.551 -5.268 295 2HB LYS 118 1HB LYS 118 139.256 8.808 -6.223 296 1HG LYS 118 2HG LYS 118 140.551 9.722 -3.745 297 2HG LYS 118 1HG LYS 118 141.633 9.088 -4.987 298 1HD LYS 118 2HD LYS 118 139.999 10.664 -6.474 299 2HD LYS 118 1HD LYS 118 140.027 11.553 -4.950 300 1HE LYS 118 2HE LYS 118 142.450 10.663 -6.510 301 2HE LYS 118 1HE LYS 118 141.791 12.297 -6.487 302 1HZ LYS 118 1HZ LYS 118 143.540 12.293 -4.950 303 2HZ LYS 118 2HZ LYS 118 143.075 10.817 -4.269 304 3HZ LYS 118 3HZ LYS 118 142.142 12.203 -4.002 305 H ILE 119 H ILE 119 136.602 8.780 -6.081 306 HA ILE 119 HA ILE 119 136.321 11.568 -6.132 307 HB ILE 119 HB ILE 119 134.221 9.542 -6.904 308 1HG1 ILE 119 2HG1 ILE 119 135.997 10.761 -8.944 309 2HG1 ILE 119 1HG1 ILE 119 136.726 9.545 -7.901 310 1HG2 ILE 119 1HG2 ILE 119 134.489 12.026 -8.433 311 2HG2 ILE 119 2HG2 ILE 119 133.974 12.250 -6.761 312 3HG2 ILE 119 3HG2 ILE 119 133.045 11.207 -7.838 313 1HD1 ILE 119 1HD1 ILE 119 134.612 9.263 -9.957 314 2HD1 ILE 119 2HD1 ILE 119 134.563 8.193 -8.556 315 3HD1 ILE 119 3HD1 ILE 119 135.989 8.223 -9.592 316 H MET 120 H MET 120 134.409 9.082 -4.470 317 HA MET 120 HA MET 120 132.490 10.813 -3.364 318 1HB MET 120 2HB MET 120 132.351 8.299 -3.523 319 2HB MET 120 1HB MET 120 133.448 8.222 -2.151 320 1HG MET 120 2HG MET 120 130.916 9.793 -1.967 321 2HG MET 120 1HG MET 120 130.899 8.042 -1.767 322 1HE MET 120 1HE MET 120 133.156 7.489 1.333 323 2HE MET 120 2HE MET 120 133.885 7.686 -0.261 324 3HE MET 120 3HE MET 120 132.383 6.776 -0.084 325 H LEU 121 H LEU 121 135.728 9.986 -2.368 326 HA LEU 121 HA LEU 121 135.447 11.023 0.296 327 1HB LEU 121 2HB LEU 121 137.800 10.152 -1.360 328 2HB LEU 121 1HB LEU 121 138.005 10.870 0.226 329 HG LEU 121 HG LEU 121 136.227 8.484 -0.114 330 1HD1 LEU 121 1HD1 LEU 121 137.966 6.967 -0.013 331 2HD1 LEU 121 2HD1 LEU 121 139.124 8.174 0.547 332 3HD1 LEU 121 3HD1 LEU 121 138.588 8.178 -1.134 333 1HD2 LEU 121 1HD2 LEU 121 136.689 10.056 2.010 334 2HD2 LEU 121 2HD2 LEU 121 137.993 8.885 2.217 335 3HD2 LEU 121 3HD2 LEU 121 136.318 8.336 2.139 336 H GLN 122 H GLN 122 137.044 12.165 -2.675 337 HA GLN 122 HA GLN 122 138.014 14.581 -1.657 338 1HB GLN 122 2HB GLN 122 138.012 15.341 -4.031 339 2HB GLN 122 1HB GLN 122 138.773 13.774 -3.791 340 1HG GLN 122 2HG GLN 122 136.751 12.666 -4.573 341 2HG GLN 122 1HG GLN 122 135.978 14.233 -4.802 342 1HE2 GLN 122 1HE2 GLN 122 135.843 14.668 -6.877 343 2HE2 GLN 122 2HE2 GLN 122 137.076 14.409 -8.057 344 H ALA 123 H ALA 123 134.919 13.776 -3.136 345 HA ALA 123 HA ALA 123 133.807 16.310 -3.332 346 1HB ALA 123 1HB ALA 123 132.114 15.138 -4.154 347 2HB ALA 123 2HB ALA 123 131.781 14.437 -2.570 348 3HB ALA 123 3HB ALA 123 132.931 13.658 -3.655 349 H THR 124 H THR 124 134.398 14.390 -0.505 350 HA THR 124 HA THR 124 132.476 15.442 1.234 351 HB THR 124 HB THR 124 133.827 14.627 3.027 352 HG1 THR 124 HG1 THR 124 135.994 14.196 2.797 353 1HG2 THR 124 1HG2 THR 124 134.909 12.506 1.650 354 2HG2 THR 124 2HG2 THR 124 133.552 13.010 0.644 355 3HG2 THR 124 3HG2 THR 124 133.288 12.593 2.338 356 H GLY 125 H GLY 125 133.148 16.814 3.219 357 1HA GLY 125 2HA GLY 125 134.006 19.372 2.177 358 2HA GLY 125 1HA GLY 125 133.391 19.054 3.791 359 H GLU 126 H GLU 126 135.584 16.761 3.647 360 HA GLU 126 HA GLU 126 137.703 18.500 4.703 361 1HB GLU 126 2HB GLU 126 138.522 16.295 5.728 362 2HB GLU 126 1HB GLU 126 137.065 17.015 6.399 363 1HG GLU 126 2HG GLU 126 135.683 15.469 5.176 364 2HG GLU 126 1HG GLU 126 137.097 14.801 4.363 365 H THR 127 H THR 127 139.922 17.128 4.587 366 HA THR 127 HA THR 127 140.287 16.492 1.739 367 HB THR 127 HB THR 127 141.544 18.414 2.066 368 HG1 THR 127 HG1 THR 127 143.226 17.451 1.303 369 1HG2 THR 127 1HG2 THR 127 141.302 18.599 4.475 370 2HG2 THR 127 2HG2 THR 127 142.971 18.859 3.967 371 3HG2 THR 127 3HG2 THR 127 142.499 17.323 4.696 372 H ILE 128 H ILE 128 140.854 14.477 1.266 373 HA ILE 128 HA ILE 128 142.033 12.821 3.401 374 HB ILE 128 HB ILE 128 140.491 11.800 1.019 375 1HG1 ILE 128 2HG1 ILE 128 139.006 13.174 2.389 376 2HG1 ILE 128 1HG1 ILE 128 138.603 11.469 2.574 377 1HG2 ILE 128 1HG2 ILE 128 142.168 10.346 2.308 378 2HG2 ILE 128 2HG2 ILE 128 140.548 9.706 2.040 379 3HG2 ILE 128 3HG2 ILE 128 140.981 10.379 3.611 380 1HD1 ILE 128 1HD1 ILE 128 140.066 11.543 4.665 381 2HD1 ILE 128 2HD1 ILE 128 138.492 12.335 4.728 382 3HD1 ILE 128 3HD1 ILE 128 139.956 13.295 4.518 383 H THR 129 H THR 129 143.847 11.639 2.991 384 HA THR 129 HA THR 129 145.349 12.361 0.615 385 HB THR 129 HB THR 129 146.311 10.482 2.754 386 HG1 THR 129 HG1 THR 129 146.340 12.024 4.158 387 1HG2 THR 129 1HG2 THR 129 147.544 12.087 0.643 388 2HG2 THR 129 2HG2 THR 129 148.116 10.627 1.451 389 3HG2 THR 129 3HG2 THR 129 148.333 12.201 2.216 390 H GLU 130 H GLU 130 146.687 10.540 -0.414 391 HA GLU 130 HA GLU 130 144.910 8.704 -1.608 392 1HB GLU 130 2HB GLU 130 147.832 9.229 -1.720 393 2HB GLU 130 1HB GLU 130 147.282 7.655 -2.278 394 1HG GLU 130 2HG GLU 130 145.999 8.583 -3.996 395 2HG GLU 130 1HG GLU 130 146.049 10.195 -3.281 396 H ASP 131 H ASP 131 147.278 8.391 0.983 397 HA ASP 131 HA ASP 131 147.278 5.605 1.224 398 1HB ASP 131 2HB ASP 131 148.474 7.733 2.556 399 2HB ASP 131 1HB ASP 131 147.482 6.968 3.793 400 H ASP 132 H ASP 132 145.221 8.043 2.778 401 HA ASP 132 HA ASP 132 143.757 6.282 4.402 402 1HB ASP 132 2HB ASP 132 143.354 9.051 3.376 403 2HB ASP 132 1HB ASP 132 141.957 8.216 4.051 404 H ILE 133 H ILE 133 143.247 7.386 1.085 405 HA ILE 133 HA ILE 133 140.700 6.232 0.718 406 HB ILE 133 HB ILE 133 142.797 6.706 -1.404 407 1HG1 ILE 133 2HG1 ILE 133 140.583 8.629 -0.820 408 2HG1 ILE 133 1HG1 ILE 133 142.011 8.650 0.208 409 1HG2 ILE 133 1HG2 ILE 133 139.959 7.059 -2.042 410 2HG2 ILE 133 2HG2 ILE 133 140.419 5.402 -1.650 411 3HG2 ILE 133 3HG2 ILE 133 141.239 6.260 -2.955 412 1HD1 ILE 133 1HD1 ILE 133 143.224 9.691 -1.338 413 2HD1 ILE 133 2HD1 ILE 133 141.690 10.020 -2.142 414 3HD1 ILE 133 3HD1 ILE 133 142.657 8.628 -2.625 415 H GLU 134 H GLU 134 143.971 4.990 0.195 416 HA GLU 134 HA GLU 134 143.154 2.546 -1.005 417 1HB GLU 134 2HB GLU 134 145.521 3.808 -0.813 418 2HB GLU 134 1HB GLU 134 145.718 2.639 0.485 419 1HG GLU 134 2HG GLU 134 144.700 1.547 -2.045 420 2HG GLU 134 1HG GLU 134 146.346 2.176 -2.094 421 H GLU 135 H GLU 135 143.679 3.590 2.295 422 HA GLU 135 HA GLU 135 143.811 1.096 3.556 423 1HB GLU 135 2HB GLU 135 143.187 3.868 4.377 424 2HB GLU 135 1HB GLU 135 142.579 2.604 5.437 425 1HG GLU 135 2HG GLU 135 145.016 1.689 5.270 426 2HG GLU 135 1HG GLU 135 145.390 3.342 4.787 427 H LEU 136 H LEU 136 141.102 2.899 2.304 428 HA LEU 136 HA LEU 136 139.072 1.435 3.667 429 1HB LEU 136 2HB LEU 136 139.179 3.412 1.457 430 2HB LEU 136 1HB LEU 136 137.756 2.392 1.540 431 HG LEU 136 HG LEU 136 137.519 3.148 3.958 432 1HD1 LEU 136 1HD1 LEU 136 139.409 5.311 3.050 433 2HD1 LEU 136 2HD1 LEU 136 139.841 4.002 4.149 434 3HD1 LEU 136 3HD1 LEU 136 138.613 5.178 4.618 435 1HD2 LEU 136 1HD2 LEU 136 137.266 5.556 2.261 436 2HD2 LEU 136 2HD2 LEU 136 136.075 4.757 3.288 437 3HD2 LEU 136 3HD2 LEU 136 136.448 4.099 1.695 438 H MET 137 H MET 137 140.716 1.092 0.575 439 HA MET 137 HA MET 137 139.019 -0.852 -0.548 440 1HB MET 137 2HB MET 137 141.652 0.278 -1.114 441 2HB MET 137 1HB MET 137 141.530 -1.416 -1.565 442 1HG MET 137 2HG MET 137 139.718 0.806 -2.477 443 2HG MET 137 1HG MET 137 140.970 0.014 -3.431 444 1HE MET 137 1HE MET 137 136.767 -0.945 -3.716 445 2HE MET 137 2HE MET 137 137.851 0.173 -4.543 446 3HE MET 137 3HE MET 137 137.490 0.401 -2.832 447 H LYS 138 H LYS 138 142.155 -1.261 1.100 448 HA LYS 138 HA LYS 138 142.072 -4.073 1.153 449 1HB LYS 138 2HB LYS 138 144.111 -2.663 1.498 450 2HB LYS 138 1HB LYS 138 143.507 -2.262 3.100 451 1HG LYS 138 2HG LYS 138 144.346 -4.127 3.944 452 2HG LYS 138 1HG LYS 138 143.509 -5.107 2.741 453 1HD LYS 138 2HD LYS 138 145.516 -4.065 1.248 454 2HD LYS 138 1HD LYS 138 146.301 -4.181 2.824 455 1HE LYS 138 2HE LYS 138 144.830 -6.451 1.492 456 2HE LYS 138 1HE LYS 138 146.572 -6.200 1.375 457 1HZ LYS 138 1HZ LYS 138 146.255 -6.126 4.006 458 2HZ LYS 138 2HZ LYS 138 146.567 -7.555 3.157 459 3HZ LYS 138 3HZ LYS 138 144.983 -7.167 3.607 460 H ASP 139 H ASP 139 140.542 -1.684 3.128 461 HA ASP 139 HA ASP 139 140.048 -3.454 5.348 462 1HB ASP 139 2HB ASP 139 139.378 -0.636 4.663 463 2HB ASP 139 1HB ASP 139 138.348 -1.455 5.833 464 H GLY 140 H GLY 140 138.601 -2.935 2.304 465 1HA GLY 140 2HA GLY 140 136.161 -4.310 3.244 466 2HA GLY 140 1HA GLY 140 136.133 -3.090 1.981 467 H ASP 141 H ASP 141 138.912 -4.661 1.389 468 HA ASP 141 HA ASP 141 137.605 -6.455 -0.526 469 1HB ASP 141 2HB ASP 141 139.442 -4.582 -1.056 470 2HB ASP 141 1HB ASP 141 140.528 -5.917 -0.679 471 H LYS 142 H LYS 142 137.226 -8.250 0.705 472 HA LYS 142 HA LYS 142 139.335 -9.441 2.282 473 1HB LYS 142 2HB LYS 142 136.475 -10.155 1.707 474 2HB LYS 142 1HB LYS 142 137.546 -11.297 2.508 475 1HG LYS 142 2HG LYS 142 136.360 -10.161 4.204 476 2HG LYS 142 1HG LYS 142 138.003 -9.518 4.216 477 1HD LYS 142 2HD LYS 142 137.270 -7.453 3.806 478 2HD LYS 142 1HD LYS 142 136.324 -8.005 2.423 479 1HE LYS 142 2HE LYS 142 135.267 -8.610 5.125 480 2HE LYS 142 1HE LYS 142 135.212 -6.930 4.597 481 1HZ LYS 142 1HZ LYS 142 133.306 -8.683 4.052 482 2HZ LYS 142 2HZ LYS 142 134.275 -8.912 2.685 483 3HZ LYS 142 3HZ LYS 142 133.664 -7.376 3.040 484 H ASN 143 H ASN 143 137.891 -9.875 -0.866 485 HA ASN 143 HA ASN 143 139.223 -12.412 -1.305 486 1HB ASN 143 2HB ASN 143 138.226 -12.181 -3.618 487 2HB ASN 143 1HB ASN 143 137.064 -12.234 -2.296 488 1HD2 ASN 143 1HD2 ASN 143 136.148 -11.288 -4.574 489 2HD2 ASN 143 2HD2 ASN 143 135.972 -9.569 -4.533 490 H ASN 144 H ASN 144 140.205 -9.256 -1.354 491 HA ASN 144 HA ASN 144 141.857 -8.072 -2.383 492 1HB ASN 144 2HB ASN 144 143.010 -10.845 -2.152 493 2HB ASN 144 1HB ASN 144 143.965 -9.490 -2.747 494 1HD2 ASN 144 1HD2 ASN 144 143.211 -11.238 -0.081 495 2HD2 ASN 144 2HD2 ASN 144 143.606 -10.087 1.145 496 H ASP 145 H ASP 145 139.886 -8.743 -4.220 497 HA ASP 145 HA ASP 145 141.189 -9.765 -6.602 498 1HB ASP 145 2HB ASP 145 139.004 -9.480 -7.672 499 2HB ASP 145 1HB ASP 145 138.840 -10.349 -6.150 500 H GLY 146 H GLY 146 140.136 -6.709 -5.257 501 1HA GLY 146 2HA GLY 146 141.668 -4.842 -6.041 502 2HA GLY 146 1HA GLY 146 141.177 -5.332 -7.654 503 H ARG 147 H ARG 147 138.485 -5.816 -5.914 504 HA ARG 147 HA ARG 147 137.589 -3.057 -5.768 505 1HB ARG 147 2HB ARG 147 136.316 -5.068 -7.633 506 2HB ARG 147 1HB ARG 147 135.619 -3.508 -7.217 507 1HG ARG 147 2HG ARG 147 137.964 -2.639 -8.077 508 2HG ARG 147 1HG ARG 147 137.915 -4.157 -8.977 509 1HD ARG 147 2HD ARG 147 135.460 -3.325 -9.520 510 2HD ARG 147 1HD ARG 147 136.185 -1.750 -9.204 511 HE ARG 147 HE ARG 147 137.930 -2.891 -10.924 512 1HH1 ARG 147 1HH1 ARG 147 134.472 -2.419 -11.005 513 2HH1 ARG 147 2HH1 ARG 147 134.403 -2.302 -12.731 514 1HH2 ARG 147 1HH2 ARG 147 137.840 -2.737 -13.194 515 2HH2 ARG 147 2HH2 ARG 147 136.314 -2.484 -13.973 516 H ILE 148 H ILE 148 135.419 -2.876 -4.810 517 HA ILE 148 HA ILE 148 134.903 -5.133 -2.991 518 HB ILE 148 HB ILE 148 134.050 -2.265 -2.591 519 1HG1 ILE 148 2HG1 ILE 148 136.369 -3.647 -1.238 520 2HG1 ILE 148 1HG1 ILE 148 136.569 -2.643 -2.672 521 1HG2 ILE 148 1HG2 ILE 148 134.232 -4.566 -0.653 522 2HG2 ILE 148 2HG2 ILE 148 132.746 -3.981 -1.403 523 3HG2 ILE 148 3HG2 ILE 148 133.649 -2.939 -0.303 524 1HD1 ILE 148 1HD1 ILE 148 135.095 -1.435 -0.422 525 2HD1 ILE 148 2HD1 ILE 148 136.265 -0.724 -1.533 526 3HD1 ILE 148 3HD1 ILE 148 136.820 -1.717 -0.185 527 H ASP 149 H ASP 149 133.027 -6.178 -3.098 528 HA ASP 149 HA ASP 149 130.950 -5.095 -4.866 529 1HB ASP 149 2HB ASP 149 130.116 -7.385 -5.056 530 2HB ASP 149 1HB ASP 149 131.825 -7.315 -5.470 531 H TYR 150 H TYR 150 128.676 -5.725 -4.253 532 HA TYR 150 HA TYR 150 127.959 -4.483 -1.872 533 1HB TYR 150 2HB TYR 150 126.399 -4.674 -3.711 534 2HB TYR 150 1HB TYR 150 126.401 -6.429 -3.582 535 HD1 TYR 150 HD1 TYR 150 124.931 -7.541 -2.105 536 HD2 TYR 150 HD2 TYR 150 125.388 -3.318 -1.840 537 HE1 TYR 150 HE1 TYR 150 123.009 -7.434 -0.576 538 HE2 TYR 150 HE2 TYR 150 123.468 -3.200 -0.310 539 HH TYR 150 HH TYR 150 121.239 -5.430 0.020 540 H ASP 151 H ASP 151 128.767 -7.819 -2.471 541 HA ASP 151 HA ASP 151 127.568 -8.888 -0.131 542 1HB ASP 151 2HB ASP 151 129.976 -10.063 -1.512 543 2HB ASP 151 1HB ASP 151 128.705 -10.903 -0.631 544 H GLU 152 H GLU 152 131.013 -8.295 -0.859 545 HA GLU 152 HA GLU 152 131.803 -8.643 1.849 546 1HB GLU 152 2HB GLU 152 134.006 -7.772 1.070 547 2HB GLU 152 1HB GLU 152 133.391 -9.124 0.126 548 1HG GLU 152 2HG GLU 152 132.643 -7.583 -1.604 549 2HG GLU 152 1HG GLU 152 133.240 -6.224 -0.656 550 H PHE 153 H PHE 153 130.770 -5.870 -0.004 551 HA PHE 153 HA PHE 153 131.871 -3.914 1.762 552 1HB PHE 153 2HB PHE 153 130.883 -3.757 -0.729 553 2HB PHE 153 1HB PHE 153 129.462 -3.239 0.165 554 HD1 PHE 153 HD1 PHE 153 130.441 -1.621 2.298 555 HD2 PHE 153 HD2 PHE 153 131.918 -1.953 -1.677 556 HE1 PHE 153 HE1 PHE 153 131.388 0.641 2.468 557 HE2 PHE 153 HE2 PHE 153 132.870 0.311 -1.517 558 HZ PHE 153 HZ PHE 153 132.605 1.611 0.558 559 H LEU 154 H LEU 154 128.815 -5.634 1.562 560 HA LEU 154 HA LEU 154 127.241 -4.139 3.269 561 1HB LEU 154 2HB LEU 154 127.106 -6.659 2.057 562 2HB LEU 154 1HB LEU 154 126.899 -6.970 3.769 563 HG LEU 154 HG LEU 154 124.952 -5.604 3.882 564 1HD1 LEU 154 1HD1 LEU 154 125.454 -3.706 2.610 565 2HD1 LEU 154 2HD1 LEU 154 124.127 -4.478 1.745 566 3HD1 LEU 154 3HD1 LEU 154 125.781 -4.654 1.159 567 1HD2 LEU 154 1HD2 LEU 154 125.114 -7.523 1.613 568 2HD2 LEU 154 2HD2 LEU 154 123.639 -6.578 1.821 569 3HD2 LEU 154 3HD2 LEU 154 124.204 -7.629 3.119 570 H GLU 155 H GLU 155 129.681 -6.565 4.067 571 HA GLU 155 HA GLU 155 129.199 -6.523 6.873 572 1HB GLU 155 2HB GLU 155 131.514 -7.481 5.198 573 2HB GLU 155 1HB GLU 155 131.523 -7.582 6.953 574 1HG GLU 155 2HG GLU 155 129.101 -8.674 5.775 575 2HG GLU 155 1HG GLU 155 130.565 -9.483 5.215 576 H PHE 156 H PHE 156 131.075 -4.575 4.697 577 HA PHE 156 HA PHE 156 132.935 -3.454 6.447 578 1HB PHE 156 2HB PHE 156 132.476 -3.180 3.825 579 2HB PHE 156 1HB PHE 156 131.713 -1.695 4.381 580 HD1 PHE 156 HD1 PHE 156 133.480 -0.950 6.619 581 HD2 PHE 156 HD2 PHE 156 134.406 -2.475 2.756 582 HE1 PHE 156 HE1 PHE 156 135.679 0.145 6.721 583 HE2 PHE 156 HE2 PHE 156 136.608 -1.382 2.852 584 HZ PHE 156 HZ PHE 156 137.247 -0.071 4.834 585 H MET 157 H MET 157 129.683 -2.292 5.582 586 HA MET 157 HA MET 157 129.804 -0.172 7.533 587 1HB MET 157 2HB MET 157 127.518 -1.170 5.825 588 2HB MET 157 1HB MET 157 127.464 0.268 6.835 589 1HG MET 157 2HG MET 157 129.690 0.137 4.915 590 2HG MET 157 1HG MET 157 128.078 0.283 4.219 591 1HE MET 157 1HE MET 157 130.741 1.920 4.301 592 2HE MET 157 2HE MET 157 130.624 3.529 5.016 593 3HE MET 157 3HE MET 157 129.739 3.154 3.536 594 H LYS 158 H LYS 158 129.411 -3.400 7.899 595 HA LYS 158 HA LYS 158 127.355 -3.201 9.979 596 1HB LYS 158 2HB LYS 158 128.602 -5.498 8.495 597 2HB LYS 158 1HB LYS 158 127.765 -5.770 10.017 598 1HG LYS 158 2HG LYS 158 125.730 -4.799 9.075 599 2HG LYS 158 1HG LYS 158 126.572 -4.528 7.548 600 1HD LYS 158 2HD LYS 158 126.605 -6.763 7.016 601 2HD LYS 158 1HD LYS 158 126.554 -7.274 8.704 602 1HE LYS 158 2HE LYS 158 124.164 -6.031 8.487 603 2HE LYS 158 1HE LYS 158 124.360 -6.640 6.844 604 1HZ LYS 158 1HZ LYS 158 123.924 -8.092 9.319 605 2HZ LYS 158 2HZ LYS 158 125.037 -8.790 8.254 606 3HZ LYS 158 3HZ LYS 158 123.456 -8.478 7.739 607 H GLY 159 H GLY 159 129.748 -1.900 10.499 608 1HA GLY 159 2HA GLY 159 130.679 -1.900 12.778 609 2HA GLY 159 1HA GLY 159 130.948 -3.627 12.575 610 H VAL 160 H VAL 160 132.533 -0.792 12.675 611 HA VAL 160 HA VAL 160 134.660 -1.803 10.918 612 HB VAL 160 HB VAL 160 134.486 1.136 11.106 613 1HG1 VAL 160 1HG1 VAL 160 134.772 0.580 8.508 614 2HG1 VAL 160 2HG1 VAL 160 135.329 -0.950 9.187 615 3HG1 VAL 160 3HG1 VAL 160 136.119 0.559 9.648 616 1HG2 VAL 160 1HG2 VAL 160 132.819 1.057 9.113 617 2HG2 VAL 160 2HG2 VAL 160 132.199 0.991 10.763 618 3HG2 VAL 160 3HG2 VAL 160 132.331 -0.488 9.810 619 H GLU 161 H GLU 161 134.383 -2.091 13.752 620 HA GLU 161 HA GLU 161 136.281 -0.185 14.886 621 1HB GLU 161 2HB GLU 161 134.762 -2.453 16.189 622 2HB GLU 161 1HB GLU 161 135.774 -1.286 17.031 623 1HG GLU 161 2HG GLU 161 134.203 0.471 15.956 624 2HG GLU 161 1HG GLU 161 133.112 -0.896 15.740 Start of MODEL 2 1 1H MET 81 1HT MET 81 90.167 -9.452 10.235 2 2H MET 81 2HT MET 81 89.791 -9.536 11.907 3 3H MET 81 3HT MET 81 89.106 -10.667 10.813 4 HA MET 81 HA MET 81 90.971 -11.476 12.200 5 1HB MET 81 2HB MET 81 90.152 -11.997 9.611 6 2HB MET 81 1HB MET 81 91.892 -11.817 9.442 7 1HG MET 81 2HG MET 81 91.017 -13.494 11.690 8 2HG MET 81 1HG MET 81 90.646 -14.120 10.084 9 1HE MET 81 1HE MET 81 93.619 -16.136 11.386 10 2HE MET 81 2HE MET 81 92.778 -16.316 9.847 11 3HE MET 81 3HE MET 81 91.867 -15.952 11.313 12 H VAL 82 H VAL 82 91.579 -8.747 12.324 13 HA VAL 82 HA VAL 82 94.299 -8.572 11.225 14 HB VAL 82 HB VAL 82 92.687 -6.342 12.465 15 1HG1 VAL 82 1HG1 VAL 82 94.328 -4.975 11.072 16 2HG1 VAL 82 2HG1 VAL 82 95.267 -6.462 10.933 17 3HG1 VAL 82 3HG1 VAL 82 94.959 -5.758 12.521 18 1HG2 VAL 82 1HG2 VAL 82 91.616 -7.326 10.426 19 2HG2 VAL 82 2HG2 VAL 82 93.065 -6.878 9.525 20 3HG2 VAL 82 3HG2 VAL 82 92.071 -5.629 10.273 21 H ARG 83 H ARG 83 95.165 -9.999 12.841 22 HA ARG 83 HA ARG 83 95.401 -8.747 15.498 23 1HB ARG 83 2HB ARG 83 95.952 -11.090 16.287 24 2HB ARG 83 1HB ARG 83 94.287 -10.818 15.794 25 1HG ARG 83 2HG ARG 83 94.609 -11.965 13.749 26 2HG ARG 83 1HG ARG 83 96.358 -12.002 13.969 27 1HD ARG 83 2HD ARG 83 95.029 -13.213 16.220 28 2HD ARG 83 1HD ARG 83 94.499 -13.959 14.714 29 HE ARG 83 HE ARG 83 96.648 -14.757 14.361 30 1HH1 ARG 83 1HH1 ARG 83 96.556 -12.715 17.196 31 2HH1 ARG 83 2HH1 ARG 83 98.114 -13.216 17.756 32 1HH2 ARG 83 1HH2 ARG 83 98.695 -15.414 15.103 33 2HH2 ARG 83 2HH2 ARG 83 99.328 -14.748 16.571 34 H CYS 84 H CYS 84 97.099 -10.467 12.929 35 HA CYS 84 HA CYS 84 99.524 -9.059 13.464 36 1HB CYS 84 2HB CYS 84 99.264 -11.185 15.098 37 2HB CYS 84 1HB CYS 84 99.983 -11.981 13.702 38 HG CYS 84 HG CYS 84 101.832 -9.865 14.092 39 H MET 85 H MET 85 101.350 -9.985 12.038 40 HA MET 85 HA MET 85 102.109 -10.426 9.940 41 1HB MET 85 2HB MET 85 101.261 -12.696 10.530 42 2HB MET 85 1HB MET 85 99.731 -12.285 9.769 43 1HG MET 85 2HG MET 85 100.958 -11.918 7.641 44 2HG MET 85 1HG MET 85 102.416 -12.504 8.435 45 1HE MET 85 1HE MET 85 102.057 -16.231 8.642 46 2HE MET 85 2HE MET 85 102.108 -15.008 9.911 47 3HE MET 85 3HE MET 85 103.130 -14.841 8.484 48 H LYS 86 H LYS 86 101.150 -8.109 9.777 49 HA LYS 86 HA LYS 86 99.626 -8.038 7.296 50 1HB LYS 86 2HB LYS 86 98.704 -6.888 9.899 51 2HB LYS 86 1HB LYS 86 98.313 -6.047 8.406 52 1HG LYS 86 2HG LYS 86 97.730 -8.958 8.606 53 2HG LYS 86 1HG LYS 86 96.675 -7.811 9.434 54 1HD LYS 86 2HD LYS 86 95.598 -7.713 7.464 55 2HD LYS 86 1HD LYS 86 96.921 -6.646 6.988 56 1HE LYS 86 2HE LYS 86 96.998 -8.140 5.265 57 2HE LYS 86 1HE LYS 86 98.088 -8.939 6.397 58 1HZ LYS 86 1HZ LYS 86 95.766 -9.974 7.155 59 2HZ LYS 86 2HZ LYS 86 96.747 -10.679 5.969 60 3HZ LYS 86 3HZ LYS 86 95.432 -9.719 5.515 61 H ASP 87 H ASP 87 100.817 -5.797 9.808 62 HA ASP 87 HA ASP 87 102.064 -4.206 7.673 63 1HB ASP 87 2HB ASP 87 100.840 -3.538 10.293 64 2HB ASP 87 1HB ASP 87 102.241 -2.586 9.812 65 H ASP 88 H ASP 88 104.207 -4.132 7.503 66 HA ASP 88 HA ASP 88 105.863 -5.699 9.207 67 1HB ASP 88 2HB ASP 88 106.350 -3.881 6.873 68 2HB ASP 88 1HB ASP 88 107.712 -4.449 7.835 69 H SER 89 H SER 89 107.809 -4.864 10.310 70 HA SER 89 HA SER 89 107.187 -2.343 11.691 71 1HB SER 89 2HB SER 89 107.676 -4.830 12.758 72 2HB SER 89 1HB SER 89 109.251 -4.051 12.893 73 HG SER 89 HG SER 89 108.048 -2.251 13.868 74 H LYS 90 H LYS 90 110.184 -4.193 11.139 75 HA LYS 90 HA LYS 90 111.883 -1.984 11.133 76 1HB LYS 90 2HB LYS 90 112.140 -4.739 9.949 77 2HB LYS 90 1HB LYS 90 113.430 -3.553 9.806 78 1HG LYS 90 2HG LYS 90 112.637 -3.624 12.521 79 2HG LYS 90 1HG LYS 90 112.834 -5.289 11.974 80 1HD LYS 90 2HD LYS 90 115.034 -4.169 10.891 81 2HD LYS 90 1HD LYS 90 114.841 -3.153 12.320 82 1HE LYS 90 2HE LYS 90 115.045 -4.974 13.780 83 2HE LYS 90 1HE LYS 90 114.744 -6.147 12.499 84 1HZ LYS 90 1HZ LYS 90 117.165 -4.444 12.753 85 2HZ LYS 90 2HZ LYS 90 116.878 -5.567 11.521 86 3HZ LYS 90 3HZ LYS 90 117.076 -6.095 13.115 87 H GLY 91 H GLY 91 112.873 -0.793 9.480 88 1HA GLY 91 2HA GLY 91 111.397 -0.836 6.919 89 2HA GLY 91 1HA GLY 91 112.007 0.631 7.668 90 H LYS 92 H LYS 92 114.121 1.227 7.375 91 HA LYS 92 HA LYS 92 115.511 -0.160 5.227 92 1HB LYS 92 2HB LYS 92 115.543 2.563 6.375 93 2HB LYS 92 1HB LYS 92 117.087 1.971 5.782 94 1HG LYS 92 2HG LYS 92 116.403 2.776 3.815 95 2HG LYS 92 1HG LYS 92 115.437 1.302 3.729 96 1HD LYS 92 2HD LYS 92 114.168 3.464 5.240 97 2HD LYS 92 1HD LYS 92 114.459 3.853 3.544 98 1HE LYS 92 2HE LYS 92 113.424 1.524 3.087 99 2HE LYS 92 1HE LYS 92 112.784 1.671 4.722 100 1HZ LYS 92 1HZ LYS 92 112.059 3.125 2.308 101 2HZ LYS 92 2HZ LYS 92 112.081 4.023 3.741 102 3HZ LYS 92 3HZ LYS 92 111.099 2.652 3.619 103 H THR 93 H THR 93 115.978 -1.996 6.685 104 HA THR 93 HA THR 93 117.984 -1.541 8.726 105 HB THR 93 HB THR 93 116.613 -3.229 9.461 106 HG1 THR 93 HG1 THR 93 118.430 -4.308 9.703 107 1HG2 THR 93 1HG2 THR 93 116.116 -5.231 7.799 108 2HG2 THR 93 2HG2 THR 93 116.277 -3.936 6.610 109 3HG2 THR 93 3HG2 THR 93 115.083 -3.805 7.903 110 H GLU 94 H GLU 94 118.224 -4.319 6.577 111 HA GLU 94 HA GLU 94 120.955 -3.477 5.919 112 1HB GLU 94 2HB GLU 94 121.112 -5.919 5.134 113 2HB GLU 94 1HB GLU 94 121.018 -5.618 6.864 114 1HG GLU 94 2HG GLU 94 118.770 -6.305 6.965 115 2HG GLU 94 1HG GLU 94 118.601 -6.261 5.211 116 H GLU 95 H GLU 95 117.940 -4.516 4.506 117 HA GLU 95 HA GLU 95 118.702 -4.768 1.829 118 1HB GLU 95 2HB GLU 95 116.087 -3.941 3.085 119 2HB GLU 95 1HB GLU 95 116.276 -4.137 1.348 120 1HG GLU 95 2HG GLU 95 116.917 -6.472 1.684 121 2HG GLU 95 1HG GLU 95 116.716 -6.273 3.423 122 H GLU 96 H GLU 96 118.318 -1.954 3.792 123 HA GLU 96 HA GLU 96 117.966 -0.074 1.674 124 1HB GLU 96 2HB GLU 96 118.333 1.620 3.362 125 2HB GLU 96 1HB GLU 96 117.283 0.370 4.015 126 1HG GLU 96 2HG GLU 96 118.769 -0.250 5.581 127 2HG GLU 96 1HG GLU 96 120.153 -0.013 4.518 128 H LEU 97 H LEU 97 120.687 -1.639 3.138 129 HA LEU 97 HA LEU 97 122.754 0.119 2.623 130 1HB LEU 97 2HB LEU 97 122.694 -2.891 2.513 131 2HB LEU 97 1HB LEU 97 124.173 -1.956 2.395 132 HG LEU 97 HG LEU 97 122.295 -1.884 4.758 133 1HD1 LEU 97 1HD1 LEU 97 125.006 -3.122 4.821 134 2HD1 LEU 97 2HD1 LEU 97 123.642 -4.053 4.201 135 3HD1 LEU 97 3HD1 LEU 97 123.604 -3.423 5.848 136 1HD2 LEU 97 1HD2 LEU 97 124.798 -0.464 4.032 137 2HD2 LEU 97 2HD2 LEU 97 124.595 -0.967 5.711 138 3HD2 LEU 97 3HD2 LEU 97 123.404 0.094 4.959 139 H SER 98 H SER 98 120.867 -1.719 0.377 140 HA SER 98 HA SER 98 122.713 -1.728 -1.779 141 1HB SER 98 2HB SER 98 120.735 -3.233 -1.641 142 2HB SER 98 1HB SER 98 119.688 -1.838 -1.896 143 HG SER 98 HG SER 98 121.732 -2.609 -3.700 144 H ASP 99 H ASP 99 120.352 0.570 -0.603 145 HA ASP 99 HA ASP 99 120.346 2.241 -2.908 146 1HB ASP 99 2HB ASP 99 119.387 2.498 -0.088 147 2HB ASP 99 1HB ASP 99 119.510 3.951 -1.076 148 H LEU 100 H LEU 100 122.085 2.327 0.179 149 HA LEU 100 HA LEU 100 123.489 4.740 -0.428 150 1HB LEU 100 2HB LEU 100 123.486 2.733 1.739 151 2HB LEU 100 1HB LEU 100 125.000 3.588 1.502 152 HG LEU 100 HG LEU 100 122.534 5.234 1.664 153 1HD1 LEU 100 1HD1 LEU 100 123.148 5.148 4.266 154 2HD1 LEU 100 2HD1 LEU 100 123.511 3.479 3.828 155 3HD1 LEU 100 3HD1 LEU 100 121.901 4.138 3.536 156 1HD2 LEU 100 1HD2 LEU 100 124.007 6.797 2.710 157 2HD2 LEU 100 2HD2 LEU 100 124.823 6.149 1.288 158 3HD2 LEU 100 3HD2 LEU 100 125.262 5.571 2.895 159 H PHE 101 H PHE 101 124.027 1.355 -1.010 160 HA PHE 101 HA PHE 101 126.781 1.303 -1.403 161 1HB PHE 101 2HB PHE 101 125.345 -0.706 -1.352 162 2HB PHE 101 1HB PHE 101 124.676 -0.257 -2.916 163 HD1 PHE 101 HD1 PHE 101 127.661 -1.473 -1.160 164 HD2 PHE 101 HD2 PHE 101 125.896 -0.621 -4.936 165 HE1 PHE 101 HE1 PHE 101 129.468 -2.711 -2.279 166 HE2 PHE 101 HE2 PHE 101 127.699 -1.858 -6.063 167 HZ PHE 101 HZ PHE 101 129.488 -2.906 -4.734 168 H ARG 102 H ARG 102 124.187 2.176 -3.651 169 HA ARG 102 HA ARG 102 125.748 2.453 -5.959 170 1HB ARG 102 2HB ARG 102 123.114 3.515 -5.053 171 2HB ARG 102 1HB ARG 102 123.854 4.244 -6.471 172 1HG ARG 102 2HG ARG 102 123.286 1.305 -6.144 173 2HG ARG 102 1HG ARG 102 122.267 2.448 -7.023 174 1HD ARG 102 2HD ARG 102 124.391 2.986 -8.369 175 2HD ARG 102 1HD ARG 102 125.028 1.488 -7.692 176 HE ARG 102 HE ARG 102 123.034 1.754 -9.742 177 1HH1 ARG 102 1HH1 ARG 102 124.298 -0.323 -7.239 178 2HH1 ARG 102 2HH1 ARG 102 123.697 -1.775 -7.966 179 1HH2 ARG 102 1HH2 ARG 102 122.242 -0.156 -10.700 180 2HH2 ARG 102 2HH2 ARG 102 122.530 -1.681 -9.931 181 H MET 103 H MET 103 125.114 4.666 -3.302 182 HA MET 103 HA MET 103 126.046 7.043 -4.389 183 1HB MET 103 2HB MET 103 126.325 6.053 -1.545 184 2HB MET 103 1HB MET 103 126.540 7.720 -2.059 185 1HG MET 103 2HG MET 103 123.981 6.312 -2.654 186 2HG MET 103 1HG MET 103 124.283 6.937 -1.034 187 1HE MET 103 1HE MET 103 125.887 10.082 -2.104 188 2HE MET 103 2HE MET 103 125.365 9.141 -0.707 189 3HE MET 103 3HE MET 103 124.444 10.559 -1.206 190 H PHE 104 H PHE 104 127.828 4.322 -3.071 191 HA PHE 104 HA PHE 104 130.365 5.637 -3.069 192 1HB PHE 104 2HB PHE 104 129.410 2.839 -2.663 193 2HB PHE 104 1HB PHE 104 131.114 3.096 -3.019 194 HD1 PHE 104 HD1 PHE 104 132.588 3.649 -1.319 195 HD2 PHE 104 HD2 PHE 104 128.410 4.175 -0.709 196 HE1 PHE 104 HE1 PHE 104 133.005 4.180 1.046 197 HE2 PHE 104 HE2 PHE 104 128.818 4.708 1.658 198 HZ PHE 104 HZ PHE 104 131.118 4.711 2.538 199 H ASP 105 H ASP 105 128.448 4.095 -5.473 200 HA ASP 105 HA ASP 105 130.687 3.588 -7.247 201 1HB ASP 105 2HB ASP 105 127.977 2.680 -7.036 202 2HB ASP 105 1HB ASP 105 128.225 3.359 -8.640 203 H LYS 106 H LYS 106 131.277 4.808 -8.966 204 HA LYS 106 HA LYS 106 129.888 7.379 -9.293 205 1HB LYS 106 2HB LYS 106 132.320 7.356 -8.583 206 2HB LYS 106 1HB LYS 106 132.696 6.714 -10.175 207 1HG LYS 106 2HG LYS 106 133.084 9.019 -10.323 208 2HG LYS 106 1HG LYS 106 131.529 8.761 -11.116 209 1HD LYS 106 2HD LYS 106 130.523 9.283 -8.792 210 2HD LYS 106 1HD LYS 106 132.107 9.975 -8.437 211 1HE LYS 106 2HE LYS 106 131.864 11.390 -10.479 212 2HE LYS 106 1HE LYS 106 130.216 10.783 -10.642 213 1HZ LYS 106 1HZ LYS 106 130.927 11.888 -8.047 214 2HZ LYS 106 2HZ LYS 106 129.490 12.030 -8.930 215 3HZ LYS 106 3HZ LYS 106 130.823 12.998 -9.321 216 H ASN 107 H ASN 107 131.581 4.872 -11.168 217 HA ASN 107 HA ASN 107 130.372 5.844 -13.627 218 1HB ASN 107 2HB ASN 107 131.761 4.134 -14.728 219 2HB ASN 107 1HB ASN 107 132.719 5.175 -13.679 220 1HD2 ASN 107 1HD2 ASN 107 134.091 3.149 -14.126 221 2HD2 ASN 107 2HD2 ASN 107 133.999 1.913 -12.923 222 H ALA 108 H ALA 108 129.150 4.097 -11.222 223 HA ALA 108 HA ALA 108 127.610 2.425 -10.987 224 1HB ALA 108 1HB ALA 108 125.690 2.853 -12.131 225 2HB ALA 108 2HB ALA 108 126.515 3.012 -13.681 226 3HB ALA 108 3HB ALA 108 126.574 4.330 -12.510 227 H ASP 109 H ASP 109 129.501 0.905 -11.304 228 HA ASP 109 HA ASP 109 129.076 -0.749 -13.706 229 1HB ASP 109 2HB ASP 109 131.401 -1.498 -13.474 230 2HB ASP 109 1HB ASP 109 131.311 0.251 -13.652 231 H GLY 110 H GLY 110 128.475 -0.644 -10.453 232 1HA GLY 110 2HA GLY 110 127.378 -2.393 -9.301 233 2HA GLY 110 1HA GLY 110 128.154 -3.550 -10.372 234 H TYR 111 H TYR 111 130.604 -1.588 -9.605 235 HA TYR 111 HA TYR 111 131.175 -2.731 -6.981 236 1HB TYR 111 2HB TYR 111 133.074 -3.034 -9.318 237 2HB TYR 111 1HB TYR 111 133.349 -3.585 -7.668 238 HD1 TYR 111 HD1 TYR 111 132.678 -5.728 -7.008 239 HD2 TYR 111 HD2 TYR 111 131.131 -4.077 -10.610 240 HE1 TYR 111 HE1 TYR 111 131.667 -7.900 -7.560 241 HE2 TYR 111 HE2 TYR 111 130.115 -6.244 -11.175 242 HH TYR 111 HH TYR 111 129.329 -8.296 -9.903 243 H ILE 112 H ILE 112 133.157 -1.771 -6.011 244 HA ILE 112 HA ILE 112 133.557 0.984 -6.986 245 HB ILE 112 HB ILE 112 133.793 0.099 -4.113 246 1HG1 ILE 112 2HG1 ILE 112 131.553 1.776 -4.416 247 2HG1 ILE 112 1HG1 ILE 112 131.423 0.575 -5.696 248 1HG2 ILE 112 1HG2 ILE 112 133.451 2.631 -3.821 249 2HG2 ILE 112 2HG2 ILE 112 133.870 2.739 -5.531 250 3HG2 ILE 112 3HG2 ILE 112 135.022 2.059 -4.380 251 1HD1 ILE 112 1HD1 ILE 112 130.710 0.300 -3.010 252 2HD1 ILE 112 2HD1 ILE 112 132.144 -0.699 -3.238 253 3HD1 ILE 112 3HD1 ILE 112 130.727 -0.946 -4.257 254 H ASP 113 H ASP 113 135.560 1.508 -7.542 255 HA ASP 113 HA ASP 113 137.755 -0.252 -6.681 256 1HB ASP 113 2HB ASP 113 138.971 0.796 -8.663 257 2HB ASP 113 1HB ASP 113 137.624 -0.271 -9.050 258 H LEU 114 H LEU 114 139.957 1.062 -6.852 259 HA LEU 114 HA LEU 114 139.954 2.859 -4.690 260 1HB LEU 114 2HB LEU 114 142.094 2.493 -6.786 261 2HB LEU 114 1HB LEU 114 142.308 3.211 -5.200 262 HG LEU 114 HG LEU 114 141.403 0.362 -5.538 263 1HD1 LEU 114 1HD1 LEU 114 144.226 0.892 -4.878 264 2HD1 LEU 114 2HD1 LEU 114 143.755 1.180 -6.554 265 3HD1 LEU 114 3HD1 LEU 114 143.501 -0.407 -5.827 266 1HD2 LEU 114 1HD2 LEU 114 142.063 0.106 -3.282 267 2HD2 LEU 114 2HD2 LEU 114 141.131 1.602 -3.354 268 3HD2 LEU 114 3HD2 LEU 114 142.891 1.663 -3.270 269 H GLU 115 H GLU 115 139.880 3.352 -8.167 270 HA GLU 115 HA GLU 115 140.381 6.158 -8.062 271 1HB GLU 115 2HB GLU 115 139.521 4.213 -10.146 272 2HB GLU 115 1HB GLU 115 139.220 5.919 -10.442 273 1HG GLU 115 2HG GLU 115 141.459 6.437 -10.538 274 2HG GLU 115 1HG GLU 115 141.935 5.029 -9.591 275 H GLU 116 H GLU 116 137.579 4.188 -7.626 276 HA GLU 116 HA GLU 116 135.745 6.403 -8.066 277 1HB GLU 116 2HB GLU 116 135.541 3.610 -8.255 278 2HB GLU 116 1HB GLU 116 134.527 4.059 -6.892 279 1HG GLU 116 2HG GLU 116 133.052 5.213 -8.185 280 2HG GLU 116 1HG GLU 116 134.266 5.634 -9.391 281 H LEU 117 H LEU 117 136.504 4.163 -5.395 282 HA LEU 117 HA LEU 117 134.999 5.317 -3.403 283 1HB LEU 117 2HB LEU 117 136.182 3.217 -3.106 284 2HB LEU 117 1HB LEU 117 137.726 4.046 -3.172 285 HG LEU 117 HG LEU 117 137.053 5.284 -1.088 286 1HD1 LEU 117 1HD1 LEU 117 135.258 3.778 0.176 287 2HD1 LEU 117 2HD1 LEU 117 134.661 3.585 -1.472 288 3HD1 LEU 117 3HD1 LEU 117 134.812 5.197 -0.772 289 1HD2 LEU 117 1HD2 LEU 117 138.222 2.832 -1.405 290 2HD2 LEU 117 2HD2 LEU 117 136.947 2.494 -0.236 291 3HD2 LEU 117 3HD2 LEU 117 138.146 3.740 0.104 292 H LYS 118 H LYS 118 138.007 6.447 -4.763 293 HA LYS 118 HA LYS 118 138.593 8.306 -2.674 294 1HB LYS 118 2HB LYS 118 140.300 9.170 -4.158 295 2HB LYS 118 1HB LYS 118 140.326 7.411 -4.191 296 1HG LYS 118 2HG LYS 118 139.158 7.402 -6.309 297 2HG LYS 118 1HG LYS 118 139.023 9.161 -6.266 298 1HD LYS 118 2HD LYS 118 141.674 8.922 -5.974 299 2HD LYS 118 1HD LYS 118 141.354 7.445 -6.885 300 1HE LYS 118 2HE LYS 118 141.311 8.654 -8.747 301 2HE LYS 118 1HE LYS 118 139.875 9.477 -8.142 302 1HZ LYS 118 1HZ LYS 118 142.693 10.311 -7.714 303 2HZ LYS 118 2HZ LYS 118 141.349 11.076 -7.032 304 3HZ LYS 118 3HZ LYS 118 141.557 11.076 -8.709 305 H ILE 119 H ILE 119 136.461 8.319 -5.364 306 HA ILE 119 HA ILE 119 136.329 11.154 -5.723 307 HB ILE 119 HB ILE 119 134.214 9.148 -6.496 308 1HG1 ILE 119 2HG1 ILE 119 136.431 8.437 -7.331 309 2HG1 ILE 119 1HG1 ILE 119 135.354 8.919 -8.637 310 1HG2 ILE 119 1HG2 ILE 119 133.233 11.135 -6.968 311 2HG2 ILE 119 2HG2 ILE 119 134.193 10.977 -8.439 312 3HG2 ILE 119 3HG2 ILE 119 134.770 11.987 -7.113 313 1HD1 ILE 119 1HD1 ILE 119 136.516 11.213 -8.430 314 2HD1 ILE 119 2HD1 ILE 119 137.359 9.888 -9.230 315 3HD1 ILE 119 3HD1 ILE 119 137.764 10.312 -7.567 316 H MET 120 H MET 120 134.090 8.787 -4.272 317 HA MET 120 HA MET 120 132.186 10.559 -3.326 318 1HB MET 120 2HB MET 120 131.702 8.789 -1.593 319 2HB MET 120 1HB MET 120 131.700 8.236 -3.261 320 1HG MET 120 2HG MET 120 132.838 6.569 -2.128 321 2HG MET 120 1HG MET 120 134.126 7.540 -2.833 322 1HE MET 120 1HE MET 120 132.513 8.455 1.211 323 2HE MET 120 2HE MET 120 132.700 6.701 1.181 324 3HE MET 120 3HE MET 120 131.724 7.505 -0.047 325 H LEU 121 H LEU 121 135.364 9.907 -2.107 326 HA LEU 121 HA LEU 121 134.853 11.141 0.463 327 1HB LEU 121 2HB LEU 121 137.067 9.677 -0.811 328 2HB LEU 121 1HB LEU 121 137.564 10.942 0.298 329 HG LEU 121 HG LEU 121 135.471 9.150 1.337 330 1HD1 LEU 121 1HD1 LEU 121 137.571 7.590 1.919 331 2HD1 LEU 121 2HD1 LEU 121 138.030 8.115 0.300 332 3HD1 LEU 121 3HD1 LEU 121 136.491 7.294 0.557 333 1HD2 LEU 121 1HD2 LEU 121 138.084 10.222 2.394 334 2HD2 LEU 121 2HD2 LEU 121 136.942 9.250 3.323 335 3HD2 LEU 121 3HD2 LEU 121 136.468 10.843 2.733 336 H GLN 122 H GLN 122 136.279 11.995 -2.622 337 HA GLN 122 HA GLN 122 137.499 14.414 -1.767 338 1HB GLN 122 2HB GLN 122 136.816 13.178 -4.395 339 2HB GLN 122 1HB GLN 122 137.177 14.899 -4.360 340 1HG GLN 122 2HG GLN 122 139.079 13.154 -2.942 341 2HG GLN 122 1HG GLN 122 139.026 12.985 -4.696 342 1HE2 GLN 122 1HE2 GLN 122 141.244 13.925 -3.267 343 2HE2 GLN 122 2HE2 GLN 122 141.513 15.576 -3.704 344 H ALA 123 H ALA 123 134.283 13.543 -2.794 345 HA ALA 123 HA ALA 123 133.311 16.117 -3.400 346 1HB ALA 123 1HB ALA 123 131.077 15.127 -3.089 347 2HB ALA 123 2HB ALA 123 131.831 13.684 -2.413 348 3HB ALA 123 3HB ALA 123 132.125 14.127 -4.094 349 H THR 124 H THR 124 133.934 14.525 -0.384 350 HA THR 124 HA THR 124 132.186 15.887 1.311 351 HB THR 124 HB THR 124 133.607 15.215 3.108 352 HG1 THR 124 HG1 THR 124 135.747 14.542 2.724 353 1HG2 THR 124 1HG2 THR 124 133.081 13.100 2.766 354 2HG2 THR 124 2HG2 THR 124 134.530 12.926 1.775 355 3HG2 THR 124 3HG2 THR 124 132.996 13.367 1.026 356 H GLY 125 H GLY 125 133.098 17.429 3.095 357 1HA GLY 125 2HA GLY 125 134.126 19.757 1.660 358 2HA GLY 125 1HA GLY 125 133.381 19.763 3.251 359 H GLU 126 H GLU 126 135.675 17.303 2.989 360 HA GLU 126 HA GLU 126 137.685 18.996 4.317 361 1HB GLU 126 2HB GLU 126 138.439 16.773 5.345 362 2HB GLU 126 1HB GLU 126 136.944 17.476 5.945 363 1HG GLU 126 2HG GLU 126 135.663 15.967 4.504 364 2HG GLU 126 1HG GLU 126 137.170 15.252 3.933 365 H THR 127 H THR 127 139.898 17.577 4.284 366 HA THR 127 HA THR 127 140.367 16.902 1.454 367 HB THR 127 HB THR 127 142.640 17.822 1.713 368 HG1 THR 127 HG1 THR 127 142.837 17.571 3.969 369 1HG2 THR 127 1HG2 THR 127 141.632 19.600 0.837 370 2HG2 THR 127 2HG2 THR 127 141.700 20.265 2.469 371 3HG2 THR 127 3HG2 THR 127 140.237 19.456 1.906 372 H ILE 128 H ILE 128 140.793 14.814 1.237 373 HA ILE 128 HA ILE 128 142.233 13.433 3.407 374 HB ILE 128 HB ILE 128 140.498 12.114 1.324 375 1HG1 ILE 128 2HG1 ILE 128 139.090 13.609 2.629 376 2HG1 ILE 128 1HG1 ILE 128 138.779 11.941 3.104 377 1HG2 ILE 128 1HG2 ILE 128 142.069 10.602 2.289 378 2HG2 ILE 128 2HG2 ILE 128 140.496 10.271 3.014 379 3HG2 ILE 128 3HG2 ILE 128 141.710 11.178 3.917 380 1HD1 ILE 128 1HD1 ILE 128 140.440 12.375 4.998 381 2HD1 ILE 128 2HD1 ILE 128 138.844 13.116 5.107 382 3HD1 ILE 128 3HD1 ILE 128 140.231 14.082 4.606 383 H THR 129 H THR 129 143.706 11.719 2.769 384 HA THR 129 HA THR 129 145.167 12.447 0.347 385 HB THR 129 HB THR 129 146.514 12.362 2.335 386 HG1 THR 129 HG1 THR 129 148.050 10.901 1.663 387 1HG2 THR 129 1HG2 THR 129 144.979 9.970 2.930 388 2HG2 THR 129 2HG2 THR 129 145.875 11.046 4.004 389 3HG2 THR 129 3HG2 THR 129 146.715 9.753 3.148 390 H GLU 130 H GLU 130 146.147 10.664 -0.938 391 HA GLU 130 HA GLU 130 144.112 8.876 -1.815 392 1HB GLU 130 2HB GLU 130 146.396 9.957 -2.927 393 2HB GLU 130 1HB GLU 130 146.820 8.262 -2.736 394 1HG GLU 130 2HG GLU 130 145.302 7.562 -4.271 395 2HG GLU 130 1HG GLU 130 144.179 8.877 -3.925 396 H ASP 131 H ASP 131 146.740 8.628 0.423 397 HA ASP 131 HA ASP 131 147.046 5.810 0.382 398 1HB ASP 131 2HB ASP 131 148.048 8.050 1.954 399 2HB ASP 131 1HB ASP 131 147.756 6.623 2.942 400 H ASP 132 H ASP 132 145.361 7.944 2.696 401 HA ASP 132 HA ASP 132 144.253 5.978 4.304 402 1HB ASP 132 2HB ASP 132 144.177 8.685 4.298 403 2HB ASP 132 1HB ASP 132 142.534 8.328 3.776 404 H ILE 133 H ILE 133 143.109 7.264 1.233 405 HA ILE 133 HA ILE 133 140.583 5.936 1.305 406 HB ILE 133 HB ILE 133 142.048 6.932 -1.138 407 1HG1 ILE 133 2HG1 ILE 133 139.986 8.501 0.388 408 2HG1 ILE 133 1HG1 ILE 133 141.689 8.588 0.830 409 1HG2 ILE 133 1HG2 ILE 133 139.740 5.472 -0.969 410 2HG2 ILE 133 2HG2 ILE 133 140.187 6.526 -2.309 411 3HG2 ILE 133 3HG2 ILE 133 139.137 7.128 -1.028 412 1HD1 ILE 133 1HD1 ILE 133 142.168 9.266 -1.529 413 2HD1 ILE 133 2HD1 ILE 133 141.219 10.421 -0.592 414 3HD1 ILE 133 3HD1 ILE 133 140.426 9.383 -1.776 415 H GLU 134 H GLU 134 143.790 5.065 0.275 416 HA GLU 134 HA GLU 134 143.048 2.857 -1.360 417 1HB GLU 134 2HB GLU 134 145.358 4.217 -0.982 418 2HB GLU 134 1HB GLU 134 145.679 2.785 -0.013 419 1HG GLU 134 2HG GLU 134 145.417 1.353 -1.878 420 2HG GLU 134 1HG GLU 134 144.748 2.651 -2.865 421 H GLU 135 H GLU 135 144.094 3.158 2.018 422 HA GLU 135 HA GLU 135 144.148 0.424 2.630 423 1HB GLU 135 2HB GLU 135 143.956 1.139 4.983 424 2HB GLU 135 1HB GLU 135 145.151 2.076 4.098 425 1HG GLU 135 2HG GLU 135 143.831 3.980 4.077 426 2HG GLU 135 1HG GLU 135 142.351 3.076 4.397 427 H LEU 136 H LEU 136 141.505 2.699 2.433 428 HA LEU 136 HA LEU 136 139.566 1.288 3.877 429 1HB LEU 136 2HB LEU 136 139.663 3.556 2.123 430 2HB LEU 136 1HB LEU 136 138.283 2.561 1.701 431 HG LEU 136 HG LEU 136 138.664 3.178 4.579 432 1HD1 LEU 136 1HD1 LEU 136 137.429 5.211 2.745 433 2HD1 LEU 136 2HD1 LEU 136 139.111 5.308 3.272 434 3HD1 LEU 136 3HD1 LEU 136 137.809 5.363 4.461 435 1HD2 LEU 136 1HD2 LEU 136 136.388 2.888 4.694 436 2HD2 LEU 136 2HD2 LEU 136 136.795 1.813 3.356 437 3HD2 LEU 136 3HD2 LEU 136 136.128 3.412 3.030 438 H MET 137 H MET 137 140.792 0.865 0.635 439 HA MET 137 HA MET 137 138.702 -0.821 -0.302 440 1HB MET 137 2HB MET 137 140.560 0.478 -1.613 441 2HB MET 137 1HB MET 137 141.504 -0.982 -1.353 442 1HG MET 137 2HG MET 137 140.578 -1.762 -3.208 443 2HG MET 137 1HG MET 137 139.090 -1.938 -2.279 444 1HE MET 137 1HE MET 137 136.698 0.491 -3.688 445 2HE MET 137 2HE MET 137 137.198 -0.317 -2.203 446 3HE MET 137 3HE MET 137 136.971 -1.251 -3.681 447 H LYS 138 H LYS 138 141.780 -1.393 1.312 448 HA LYS 138 HA LYS 138 141.728 -4.225 1.027 449 1HB LYS 138 2HB LYS 138 143.371 -2.238 2.475 450 2HB LYS 138 1HB LYS 138 143.333 -3.851 3.174 451 1HG LYS 138 2HG LYS 138 144.208 -4.822 1.193 452 2HG LYS 138 1HG LYS 138 143.999 -3.320 0.290 453 1HD LYS 138 2HD LYS 138 146.303 -3.465 0.825 454 2HD LYS 138 1HD LYS 138 145.614 -2.260 1.914 455 1HE LYS 138 2HE LYS 138 145.469 -4.921 3.041 456 2HE LYS 138 1HE LYS 138 147.125 -4.487 2.622 457 1HZ LYS 138 1HZ LYS 138 145.284 -2.933 4.359 458 2HZ LYS 138 2HZ LYS 138 146.830 -2.427 3.900 459 3HZ LYS 138 3HZ LYS 138 146.644 -3.806 4.861 460 H ASP 139 H ASP 139 140.380 -1.977 3.318 461 HA ASP 139 HA ASP 139 139.825 -3.963 5.323 462 1HB ASP 139 2HB ASP 139 140.163 -1.415 5.650 463 2HB ASP 139 1HB ASP 139 138.476 -1.281 5.164 464 H GLY 140 H GLY 140 138.485 -3.412 2.347 465 1HA GLY 140 2HA GLY 140 135.866 -4.434 3.254 466 2HA GLY 140 1HA GLY 140 136.029 -3.307 1.917 467 H ASP 141 H ASP 141 138.491 -4.724 0.979 468 HA ASP 141 HA ASP 141 137.110 -6.717 -0.609 469 1HB ASP 141 2HB ASP 141 139.660 -5.222 -0.796 470 2HB ASP 141 1HB ASP 141 139.663 -6.841 -1.489 471 H LYS 142 H LYS 142 136.737 -8.448 0.737 472 HA LYS 142 HA LYS 142 138.600 -9.560 2.521 473 1HB LYS 142 2HB LYS 142 136.315 -10.958 1.120 474 2HB LYS 142 1HB LYS 142 137.131 -11.510 2.577 475 1HG LYS 142 2HG LYS 142 135.396 -9.072 2.264 476 2HG LYS 142 1HG LYS 142 135.060 -10.522 3.213 477 1HD LYS 142 2HD LYS 142 137.481 -9.673 4.214 478 2HD LYS 142 1HD LYS 142 136.633 -8.159 3.891 479 1HE LYS 142 2HE LYS 142 134.654 -9.525 5.068 480 2HE LYS 142 1HE LYS 142 136.033 -10.303 5.844 481 1HZ LYS 142 1HZ LYS 142 135.218 -7.468 5.947 482 2HZ LYS 142 2HZ LYS 142 136.809 -7.925 6.297 483 3HZ LYS 142 3HZ LYS 142 135.533 -8.528 7.228 484 H ASN 143 H ASN 143 138.276 -9.834 -0.909 485 HA ASN 143 HA ASN 143 140.277 -11.995 -0.927 486 1HB ASN 143 2HB ASN 143 139.468 -12.244 -3.377 487 2HB ASN 143 1HB ASN 143 138.447 -12.865 -2.083 488 1HD2 ASN 143 1HD2 ASN 143 136.688 -11.481 -1.359 489 2HD2 ASN 143 2HD2 ASN 143 135.909 -10.452 -2.506 490 H ASN 144 H ASN 144 140.318 -8.834 -0.964 491 HA ASN 144 HA ASN 144 141.565 -7.176 -1.906 492 1HB ASN 144 2HB ASN 144 143.469 -9.484 -2.337 493 2HB ASN 144 1HB ASN 144 143.905 -7.777 -2.348 494 1HD2 ASN 144 1HD2 ASN 144 145.409 -8.611 -0.678 495 2HD2 ASN 144 2HD2 ASN 144 144.857 -8.636 0.959 496 H ASP 145 H ASP 145 139.673 -8.273 -3.725 497 HA ASP 145 HA ASP 145 140.930 -8.743 -6.253 498 1HB ASP 145 2HB ASP 145 138.196 -8.639 -5.193 499 2HB ASP 145 1HB ASP 145 138.338 -8.044 -6.844 500 H GLY 146 H GLY 146 140.544 -5.959 -4.455 501 1HA GLY 146 2HA GLY 146 141.259 -3.826 -5.108 502 2HA GLY 146 1HA GLY 146 141.121 -4.317 -6.789 503 H ARG 147 H ARG 147 138.315 -5.371 -5.907 504 HA ARG 147 HA ARG 147 136.957 -2.768 -5.854 505 1HB ARG 147 2HB ARG 147 136.145 -5.097 -7.597 506 2HB ARG 147 1HB ARG 147 135.358 -3.528 -7.516 507 1HG ARG 147 2HG ARG 147 137.909 -2.821 -8.140 508 2HG ARG 147 1HG ARG 147 137.746 -4.363 -8.981 509 1HD ARG 147 2HD ARG 147 135.461 -3.352 -9.760 510 2HD ARG 147 1HD ARG 147 136.237 -1.818 -9.366 511 HE ARG 147 HE ARG 147 138.059 -3.105 -10.929 512 1HH1 ARG 147 1HH1 ARG 147 134.701 -2.240 -11.311 513 2HH1 ARG 147 2HH1 ARG 147 134.812 -2.064 -13.030 514 1HH2 ARG 147 1HH2 ARG 147 138.208 -2.878 -13.189 515 2HH2 ARG 147 2HH2 ARG 147 136.804 -2.427 -14.097 516 H ILE 148 H ILE 148 135.020 -2.694 -4.744 517 HA ILE 148 HA ILE 148 134.412 -5.092 -3.147 518 HB ILE 148 HB ILE 148 133.731 -2.229 -2.478 519 1HG1 ILE 148 2HG1 ILE 148 135.926 -3.941 -1.297 520 2HG1 ILE 148 1HG1 ILE 148 136.198 -2.722 -2.536 521 1HG2 ILE 148 1HG2 ILE 148 133.756 -4.624 -0.657 522 2HG2 ILE 148 2HG2 ILE 148 132.314 -4.087 -1.521 523 3HG2 ILE 148 3HG2 ILE 148 133.084 -3.022 -0.345 524 1HD1 ILE 148 1HD1 ILE 148 134.904 -2.055 0.082 525 2HD1 ILE 148 2HD1 ILE 148 135.664 -0.971 -1.083 526 3HD1 ILE 148 3HD1 ILE 148 136.655 -2.071 -0.126 527 H ASP 149 H ASP 149 132.465 -6.000 -3.248 528 HA ASP 149 HA ASP 149 130.434 -4.714 -4.938 529 1HB ASP 149 2HB ASP 149 129.437 -7.038 -5.030 530 2HB ASP 149 1HB ASP 149 131.017 -6.866 -5.791 531 H TYR 150 H TYR 150 128.116 -5.611 -4.264 532 HA TYR 150 HA TYR 150 127.482 -4.351 -1.830 533 1HB TYR 150 2HB TYR 150 125.872 -4.563 -3.675 534 2HB TYR 150 1HB TYR 150 125.826 -6.307 -3.441 535 HD1 TYR 150 HD1 TYR 150 123.756 -6.914 -2.619 536 HD2 TYR 150 HD2 TYR 150 125.632 -3.430 -1.056 537 HE1 TYR 150 HE1 TYR 150 121.913 -6.651 -1.010 538 HE2 TYR 150 HE2 TYR 150 123.795 -3.158 0.558 539 HH TYR 150 HH TYR 150 121.487 -3.808 0.847 540 H ASP 151 H ASP 151 128.521 -7.551 -2.522 541 HA ASP 151 HA ASP 151 127.423 -8.757 -0.159 542 1HB ASP 151 2HB ASP 151 128.982 -9.617 -2.470 543 2HB ASP 151 1HB ASP 151 129.535 -10.365 -0.974 544 H GLU 152 H GLU 152 130.698 -7.820 -1.185 545 HA GLU 152 HA GLU 152 131.923 -8.340 1.304 546 1HB GLU 152 2HB GLU 152 132.838 -6.406 -0.829 547 2HB GLU 152 1HB GLU 152 133.834 -7.136 0.421 548 1HG GLU 152 2HG GLU 152 133.140 -9.377 -0.630 549 2HG GLU 152 1HG GLU 152 132.644 -8.401 -2.012 550 H PHE 153 H PHE 153 130.531 -5.409 -0.113 551 HA PHE 153 HA PHE 153 131.359 -3.669 1.966 552 1HB PHE 153 2HB PHE 153 130.001 -3.418 -0.491 553 2HB PHE 153 1HB PHE 153 128.921 -2.758 0.733 554 HD1 PHE 153 HD1 PHE 153 131.111 -1.742 -1.587 555 HD2 PHE 153 HD2 PHE 153 130.551 -1.435 2.620 556 HE1 PHE 153 HE1 PHE 153 132.415 0.345 -1.570 557 HE2 PHE 153 HE2 PHE 153 131.853 0.654 2.645 558 HZ PHE 153 HZ PHE 153 132.786 1.545 0.548 559 H LEU 154 H LEU 154 128.736 -5.907 1.664 560 HA LEU 154 HA LEU 154 126.875 -4.853 3.436 561 1HB LEU 154 2HB LEU 154 127.054 -7.133 1.984 562 2HB LEU 154 1HB LEU 154 127.318 -7.768 3.596 563 HG LEU 154 HG LEU 154 124.967 -7.919 2.967 564 1HD1 LEU 154 1HD1 LEU 154 124.016 -6.962 4.938 565 2HD1 LEU 154 2HD1 LEU 154 125.331 -5.792 5.067 566 3HD1 LEU 154 3HD1 LEU 154 125.646 -7.507 5.332 567 1HD2 LEU 154 1HD2 LEU 154 125.057 -5.904 1.451 568 2HD2 LEU 154 2HD2 LEU 154 124.912 -4.912 2.902 569 3HD2 LEU 154 3HD2 LEU 154 123.624 -6.036 2.470 570 H GLU 155 H GLU 155 129.793 -6.730 4.069 571 HA GLU 155 HA GLU 155 129.315 -6.823 6.914 572 1HB GLU 155 2HB GLU 155 131.286 -7.935 5.030 573 2HB GLU 155 1HB GLU 155 131.938 -7.525 6.611 574 1HG GLU 155 2HG GLU 155 129.600 -8.850 7.214 575 2HG GLU 155 1HG GLU 155 130.221 -9.723 5.813 576 H PHE 156 H PHE 156 131.000 -4.783 4.662 577 HA PHE 156 HA PHE 156 132.840 -3.542 6.356 578 1HB PHE 156 2HB PHE 156 132.272 -3.318 3.736 579 2HB PHE 156 1HB PHE 156 131.493 -1.853 4.321 580 HD1 PHE 156 HD1 PHE 156 133.287 -0.989 6.454 581 HD2 PHE 156 HD2 PHE 156 134.177 -2.629 2.630 582 HE1 PHE 156 HE1 PHE 156 135.462 0.163 6.470 583 HE2 PHE 156 HE2 PHE 156 136.352 -1.482 2.639 584 HZ PHE 156 HZ PHE 156 136.998 -0.084 4.561 585 H MET 157 H MET 157 129.466 -2.710 5.643 586 HA MET 157 HA MET 157 129.514 -0.533 7.558 587 1HB MET 157 2HB MET 157 128.159 -0.801 5.277 588 2HB MET 157 1HB MET 157 126.962 -1.490 6.363 589 1HG MET 157 2HG MET 157 126.327 0.516 7.027 590 2HG MET 157 1HG MET 157 127.977 0.938 7.480 591 1HE MET 157 1HE MET 157 129.211 1.554 3.739 592 2HE MET 157 2HE MET 157 129.539 0.641 5.212 593 3HE MET 157 3HE MET 157 129.713 2.395 5.206 594 H LYS 158 H LYS 158 129.442 -3.729 7.995 595 HA LYS 158 HA LYS 158 127.343 -3.735 10.041 596 1HB LYS 158 2HB LYS 158 128.224 -5.663 8.198 597 2HB LYS 158 1HB LYS 158 128.774 -6.236 9.768 598 1HG LYS 158 2HG LYS 158 126.510 -6.121 10.632 599 2HG LYS 158 1HG LYS 158 125.940 -5.473 9.093 600 1HD LYS 158 2HD LYS 158 126.858 -7.589 8.031 601 2HD LYS 158 1HD LYS 158 127.023 -8.220 9.671 602 1HE LYS 158 2HE LYS 158 124.624 -7.868 10.039 603 2HE LYS 158 1HE LYS 158 124.467 -7.254 8.394 604 1HZ LYS 158 1HZ LYS 158 125.607 -9.596 7.915 605 2HZ LYS 158 2HZ LYS 158 123.930 -9.391 7.991 606 3HZ LYS 158 3HZ LYS 158 124.769 -9.989 9.332 607 H GLY 159 H GLY 159 129.722 -2.206 10.414 608 1HA GLY 159 2HA GLY 159 130.625 -1.953 12.691 609 2HA GLY 159 1HA GLY 159 130.971 -3.678 12.651 610 H VAL 160 H VAL 160 132.433 -0.791 12.511 611 HA VAL 160 HA VAL 160 134.608 -1.843 10.837 612 HB VAL 160 HB VAL 160 134.371 1.081 10.767 613 1HG1 VAL 160 1HG1 VAL 160 134.712 -1.039 8.650 614 2HG1 VAL 160 2HG1 VAL 160 135.999 -0.136 9.448 615 3HG1 VAL 160 3HG1 VAL 160 134.861 0.698 8.388 616 1HG2 VAL 160 1HG2 VAL 160 132.222 -0.634 9.532 617 2HG2 VAL 160 2HG2 VAL 160 132.589 1.003 8.987 618 3HG2 VAL 160 3HG2 VAL 160 132.022 0.728 10.634 619 H GLU 161 H GLU 161 134.501 -2.062 13.604 620 HA GLU 161 HA GLU 161 136.727 -0.309 14.365 621 1HB GLU 161 2HB GLU 161 135.743 -0.174 16.676 622 2HB GLU 161 1HB GLU 161 134.862 0.717 15.441 623 1HG GLU 161 2HG GLU 161 133.585 -1.667 15.360 624 2HG GLU 161 1HG GLU 161 134.044 -1.587 17.060 Start of MODEL 3 1 1H MET 81 1HT MET 81 88.837 -7.654 8.688 2 2H MET 81 2HT MET 81 89.039 -6.162 9.514 3 3H MET 81 3HT MET 81 87.502 -6.595 8.882 4 HA MET 81 HA MET 81 87.346 -6.987 11.122 5 1HB MET 81 2HB MET 81 86.737 -8.842 9.426 6 2HB MET 81 1HB MET 81 88.160 -9.675 10.037 7 1HG MET 81 2HG MET 81 87.008 -9.179 12.362 8 2HG MET 81 1HG MET 81 85.562 -9.133 11.356 9 1HE MET 81 1HE MET 81 84.423 -10.675 12.391 10 2HE MET 81 2HE MET 81 84.834 -12.346 12.777 11 3HE MET 81 3HE MET 81 84.227 -11.933 11.173 12 H VAL 82 H VAL 82 88.528 -6.642 12.876 13 HA VAL 82 HA VAL 82 90.140 -6.833 14.474 14 HB VAL 82 HB VAL 82 91.217 -9.199 12.941 15 1HG1 VAL 82 1HG1 VAL 82 91.296 -9.089 15.882 16 2HG1 VAL 82 2HG1 VAL 82 92.324 -7.928 15.045 17 3HG1 VAL 82 3HG1 VAL 82 92.508 -9.654 14.733 18 1HG2 VAL 82 1HG2 VAL 82 88.964 -9.755 13.269 19 2HG2 VAL 82 2HG2 VAL 82 88.921 -9.004 14.865 20 3HG2 VAL 82 3HG2 VAL 82 89.809 -10.509 14.620 21 H ARG 83 H ARG 83 91.816 -7.941 11.525 22 HA ARG 83 HA ARG 83 93.912 -5.969 12.036 23 1HB ARG 83 2HB ARG 83 94.535 -8.333 11.598 24 2HB ARG 83 1HB ARG 83 93.830 -8.197 9.993 25 1HG ARG 83 2HG ARG 83 95.458 -6.489 9.404 26 2HG ARG 83 1HG ARG 83 96.149 -6.576 11.025 27 1HD ARG 83 2HD ARG 83 97.258 -8.489 10.590 28 2HD ARG 83 1HD ARG 83 95.948 -9.144 9.609 29 HE ARG 83 HE ARG 83 98.243 -7.706 8.683 30 1HH1 ARG 83 1HH1 ARG 83 94.912 -8.474 7.984 31 2HH1 ARG 83 2HH1 ARG 83 95.083 -8.230 6.280 32 1HH2 ARG 83 1HH2 ARG 83 98.470 -7.383 6.439 33 2HH2 ARG 83 2HH2 ARG 83 97.102 -7.610 5.402 34 H CYS 84 H CYS 84 94.337 -4.266 10.733 35 HA CYS 84 HA CYS 84 92.720 -3.979 8.290 36 1HB CYS 84 2HB CYS 84 92.688 -1.487 8.848 37 2HB CYS 84 1HB CYS 84 91.659 -2.528 9.824 38 HG CYS 84 HG CYS 84 93.979 -0.863 10.843 39 H MET 85 H MET 85 95.593 -2.858 10.047 40 HA MET 85 HA MET 85 97.263 -3.112 7.770 41 1HB MET 85 2HB MET 85 95.810 -0.795 7.702 42 2HB MET 85 1HB MET 85 97.274 -0.269 8.525 43 1HG MET 85 2HG MET 85 98.226 -1.764 6.414 44 2HG MET 85 1HG MET 85 96.834 -0.927 5.735 45 1HE MET 85 1HE MET 85 99.550 -0.930 4.831 46 2HE MET 85 2HE MET 85 100.740 0.171 5.525 47 3HE MET 85 3HE MET 85 99.650 0.737 4.260 48 H LYS 86 H LYS 86 98.923 -3.984 8.835 49 HA LYS 86 HA LYS 86 99.849 -2.674 11.303 50 1HB LYS 86 2HB LYS 86 100.893 -4.809 11.887 51 2HB LYS 86 1HB LYS 86 99.166 -5.003 11.615 52 1HG LYS 86 2HG LYS 86 99.551 -5.977 9.461 53 2HG LYS 86 1HG LYS 86 101.279 -5.629 9.566 54 1HD LYS 86 2HD LYS 86 101.058 -7.058 11.786 55 2HD LYS 86 1HD LYS 86 99.672 -7.730 10.926 56 1HE LYS 86 2HE LYS 86 101.741 -7.651 9.050 57 2HE LYS 86 1HE LYS 86 102.487 -8.223 10.543 58 1HZ LYS 86 1HZ LYS 86 99.935 -9.420 9.790 59 2HZ LYS 86 2HZ LYS 86 101.288 -10.126 10.521 60 3HZ LYS 86 3HZ LYS 86 101.279 -9.839 8.855 61 H ASP 87 H ASP 87 102.342 -3.384 11.609 62 HA ASP 87 HA ASP 87 103.732 -1.945 9.552 63 1HB ASP 87 2HB ASP 87 104.752 -3.373 12.018 64 2HB ASP 87 1HB ASP 87 105.736 -2.355 10.969 65 H ASP 88 H ASP 88 104.917 -2.720 7.909 66 HA ASP 88 HA ASP 88 104.728 -5.470 7.210 67 1HB ASP 88 2HB ASP 88 105.413 -3.049 5.906 68 2HB ASP 88 1HB ASP 88 106.776 -4.145 5.698 69 H SER 89 H SER 89 107.768 -3.627 7.327 70 HA SER 89 HA SER 89 108.964 -5.849 8.847 71 1HB SER 89 2HB SER 89 109.803 -6.126 6.644 72 2HB SER 89 1HB SER 89 110.052 -4.391 6.438 73 HG SER 89 HG SER 89 111.675 -6.270 7.591 74 H LYS 90 H LYS 90 111.151 -5.142 9.809 75 HA LYS 90 HA LYS 90 110.706 -3.016 11.579 76 1HB LYS 90 2HB LYS 90 113.030 -3.337 12.268 77 2HB LYS 90 1HB LYS 90 112.218 -4.883 12.070 78 1HG LYS 90 2HG LYS 90 113.329 -4.434 9.590 79 2HG LYS 90 1HG LYS 90 114.545 -3.812 10.706 80 1HD LYS 90 2HD LYS 90 115.072 -6.090 10.396 81 2HD LYS 90 1HD LYS 90 114.289 -5.994 11.975 82 1HE LYS 90 2HE LYS 90 112.636 -6.549 9.556 83 2HE LYS 90 1HE LYS 90 113.607 -7.847 10.248 84 1HZ LYS 90 1HZ LYS 90 111.785 -8.143 11.505 85 2HZ LYS 90 2HZ LYS 90 111.222 -6.563 11.286 86 3HZ LYS 90 3HZ LYS 90 112.427 -6.879 12.431 87 H GLY 91 H GLY 91 112.916 -1.465 11.747 88 1HA GLY 91 2HA GLY 91 112.443 0.472 9.699 89 2HA GLY 91 1HA GLY 91 113.617 0.599 10.999 90 H LYS 92 H LYS 92 115.327 1.331 9.816 91 HA LYS 92 HA LYS 92 116.107 0.247 7.313 92 1HB LYS 92 2HB LYS 92 117.900 1.726 9.234 93 2HB LYS 92 1HB LYS 92 118.038 1.636 7.484 94 1HG LYS 92 2HG LYS 92 116.600 3.317 7.164 95 2HG LYS 92 1HG LYS 92 115.499 2.745 8.418 96 1HD LYS 92 2HD LYS 92 116.608 3.893 10.095 97 2HD LYS 92 1HD LYS 92 118.117 3.972 9.183 98 1HE LYS 92 2HE LYS 92 116.770 5.454 7.546 99 2HE LYS 92 1HE LYS 92 115.641 5.631 8.888 100 1HZ LYS 92 1HZ LYS 92 118.462 6.082 9.471 101 2HZ LYS 92 2HZ LYS 92 117.093 6.880 10.065 102 3HZ LYS 92 3HZ LYS 92 117.688 7.252 8.526 103 H THR 93 H THR 93 116.862 -1.742 7.017 104 HA THR 93 HA THR 93 118.574 -2.925 9.101 105 HB THR 93 HB THR 93 117.355 -4.701 7.078 106 HG1 THR 93 HG1 THR 93 115.347 -4.361 7.603 107 1HG2 THR 93 1HG2 THR 93 117.103 -5.013 10.027 108 2HG2 THR 93 2HG2 THR 93 118.652 -5.315 9.240 109 3HG2 THR 93 3HG2 THR 93 117.227 -6.243 8.770 110 H GLU 94 H GLU 94 119.392 -5.117 7.394 111 HA GLU 94 HA GLU 94 121.642 -3.900 6.137 112 1HB GLU 94 2HB GLU 94 120.714 -6.604 6.748 113 2HB GLU 94 1HB GLU 94 121.593 -6.502 5.229 114 1HG GLU 94 2HG GLU 94 123.407 -5.297 6.510 115 2HG GLU 94 1HG GLU 94 122.556 -5.777 7.978 116 H GLU 95 H GLU 95 118.512 -4.206 5.110 117 HA GLU 95 HA GLU 95 119.017 -4.824 2.338 118 1HB GLU 95 2HB GLU 95 116.686 -4.454 4.050 119 2HB GLU 95 1HB GLU 95 116.487 -3.682 2.483 120 1HG GLU 95 2HG GLU 95 117.568 -6.406 2.389 121 2HG GLU 95 1HG GLU 95 115.922 -6.272 3.011 122 H GLU 96 H GLU 96 118.703 -1.973 4.320 123 HA GLU 96 HA GLU 96 118.321 -0.119 2.196 124 1HB GLU 96 2HB GLU 96 119.509 0.468 4.906 125 2HB GLU 96 1HB GLU 96 118.686 1.591 3.832 126 1HG GLU 96 2HG GLU 96 117.144 -0.768 4.711 127 2HG GLU 96 1HG GLU 96 117.513 0.444 5.935 128 H LEU 97 H LEU 97 121.067 -1.772 3.434 129 HA LEU 97 HA LEU 97 123.142 -0.012 2.910 130 1HB LEU 97 2HB LEU 97 122.834 -2.863 3.317 131 2HB LEU 97 1HB LEU 97 124.101 -2.524 2.155 132 HG LEU 97 HG LEU 97 124.097 -1.017 4.730 133 1HD1 LEU 97 1HD1 LEU 97 125.692 -3.050 5.398 134 2HD1 LEU 97 2HD1 LEU 97 124.513 -3.928 4.423 135 3HD1 LEU 97 3HD1 LEU 97 123.981 -2.996 5.824 136 1HD2 LEU 97 1HD2 LEU 97 126.167 -2.017 2.790 137 2HD2 LEU 97 2HD2 LEU 97 126.578 -1.342 4.365 138 3HD2 LEU 97 3HD2 LEU 97 125.743 -0.348 3.170 139 H SER 98 H SER 98 121.086 -1.685 0.693 140 HA SER 98 HA SER 98 122.782 -1.705 -1.565 141 1HB SER 98 2HB SER 98 120.853 -2.253 -2.830 142 2HB SER 98 1HB SER 98 120.580 -2.968 -1.240 143 HG SER 98 HG SER 98 119.013 -1.577 -0.868 144 H ASP 99 H ASP 99 120.324 0.611 -0.464 145 HA ASP 99 HA ASP 99 120.506 2.399 -2.606 146 1HB ASP 99 2HB ASP 99 119.568 2.575 0.217 147 2HB ASP 99 1HB ASP 99 119.829 4.083 -0.654 148 H LEU 100 H LEU 100 122.345 2.220 0.409 149 HA LEU 100 HA LEU 100 123.842 4.602 -0.088 150 1HB LEU 100 2HB LEU 100 124.176 2.312 1.834 151 2HB LEU 100 1HB LEU 100 125.333 3.627 1.745 152 HG LEU 100 HG LEU 100 122.476 4.358 2.111 153 1HD1 LEU 100 1HD1 LEU 100 122.718 2.491 3.651 154 2HD1 LEU 100 2HD1 LEU 100 122.629 4.018 4.529 155 3HD1 LEU 100 3HD1 LEU 100 124.182 3.214 4.317 156 1HD2 LEU 100 1HD2 LEU 100 123.642 5.978 3.701 157 2HD2 LEU 100 2HD2 LEU 100 123.950 6.175 1.975 158 3HD2 LEU 100 3HD2 LEU 100 125.151 5.390 3.001 159 H PHE 101 H PHE 101 124.228 1.225 -0.870 160 HA PHE 101 HA PHE 101 126.965 1.160 -1.422 161 1HB PHE 101 2HB PHE 101 125.534 -0.849 -1.304 162 2HB PHE 101 1HB PHE 101 124.755 -0.373 -2.810 163 HD1 PHE 101 HD1 PHE 101 125.891 -0.603 -4.926 164 HD2 PHE 101 HD2 PHE 101 127.793 -1.715 -1.285 165 HE1 PHE 101 HE1 PHE 101 127.611 -1.815 -6.200 166 HE2 PHE 101 HE2 PHE 101 129.517 -2.930 -2.552 167 HZ PHE 101 HZ PHE 101 129.428 -2.981 -5.013 168 H ARG 102 H ARG 102 124.226 1.937 -3.549 169 HA ARG 102 HA ARG 102 125.668 2.302 -5.912 170 1HB ARG 102 2HB ARG 102 123.013 3.099 -4.892 171 2HB ARG 102 1HB ARG 102 123.640 4.081 -6.209 172 1HG ARG 102 2HG ARG 102 123.749 1.128 -6.492 173 2HG ARG 102 1HG ARG 102 122.185 1.929 -6.647 174 1HD ARG 102 2HD ARG 102 124.603 2.861 -8.164 175 2HD ARG 102 1HD ARG 102 123.560 1.579 -8.778 176 HE ARG 102 HE ARG 102 121.819 3.569 -8.223 177 1HH1 ARG 102 1HH1 ARG 102 124.779 3.449 -10.065 178 2HH1 ARG 102 2HH1 ARG 102 124.295 4.697 -11.162 179 1HH2 ARG 102 1HH2 ARG 102 121.178 5.210 -9.665 180 2HH2 ARG 102 2HH2 ARG 102 122.250 5.698 -10.934 181 H MET 103 H MET 103 125.071 4.489 -3.222 182 HA MET 103 HA MET 103 125.890 6.886 -4.391 183 1HB MET 103 2HB MET 103 125.628 5.850 -1.633 184 2HB MET 103 1HB MET 103 126.701 7.228 -1.831 185 1HG MET 103 2HG MET 103 123.860 7.157 -2.814 186 2HG MET 103 1HG MET 103 124.352 7.805 -1.250 187 1HE MET 103 1HE MET 103 123.820 11.122 -2.276 188 2HE MET 103 2HE MET 103 125.240 10.800 -1.279 189 3HE MET 103 3HE MET 103 123.792 9.811 -1.097 190 H PHE 104 H PHE 104 127.742 4.192 -3.182 191 HA PHE 104 HA PHE 104 130.246 5.613 -3.170 192 1HB PHE 104 2HB PHE 104 129.325 2.876 -2.532 193 2HB PHE 104 1HB PHE 104 130.979 3.002 -3.122 194 HD1 PHE 104 HD1 PHE 104 132.510 4.696 -1.947 195 HD2 PHE 104 HD2 PHE 104 128.843 3.292 -0.305 196 HE1 PHE 104 HE1 PHE 104 133.262 5.368 0.297 197 HE2 PHE 104 HE2 PHE 104 129.588 3.963 1.942 198 HZ PHE 104 HZ PHE 104 131.800 5.003 2.246 199 H ASP 105 H ASP 105 128.369 3.850 -5.473 200 HA ASP 105 HA ASP 105 130.619 3.469 -7.279 201 1HB ASP 105 2HB ASP 105 128.386 1.986 -6.866 202 2HB ASP 105 1HB ASP 105 127.873 2.952 -8.245 203 H LYS 106 H LYS 106 130.942 4.578 -9.168 204 HA LYS 106 HA LYS 106 129.233 6.942 -9.581 205 1HB LYS 106 2HB LYS 106 131.522 7.500 -8.881 206 2HB LYS 106 1HB LYS 106 132.164 6.590 -10.241 207 1HG LYS 106 2HG LYS 106 132.247 8.870 -10.845 208 2HG LYS 106 1HG LYS 106 130.907 8.160 -11.749 209 1HD LYS 106 2HD LYS 106 130.285 10.332 -10.828 210 2HD LYS 106 1HD LYS 106 129.329 9.040 -10.095 211 1HE LYS 106 2HE LYS 106 130.280 9.309 -8.053 212 2HE LYS 106 1HE LYS 106 131.841 9.779 -8.722 213 1HZ LYS 106 1HZ LYS 106 130.994 11.697 -7.723 214 2HZ LYS 106 2HZ LYS 106 129.436 11.456 -8.337 215 3HZ LYS 106 3HZ LYS 106 130.689 11.924 -9.372 216 H ASN 107 H ASN 107 131.176 4.479 -11.238 217 HA ASN 107 HA ASN 107 130.057 5.189 -13.812 218 1HB ASN 107 2HB ASN 107 131.481 3.388 -14.684 219 2HB ASN 107 1HB ASN 107 132.399 4.491 -13.664 220 1HD2 ASN 107 1HD2 ASN 107 133.021 1.768 -14.371 221 2HD2 ASN 107 2HD2 ASN 107 133.117 0.881 -12.891 222 H ALA 108 H ALA 108 128.821 3.555 -11.270 223 HA ALA 108 HA ALA 108 127.273 1.906 -10.962 224 1HB ALA 108 1HB ALA 108 125.500 1.901 -12.830 225 2HB ALA 108 2HB ALA 108 126.446 3.220 -13.523 226 3HB ALA 108 3HB ALA 108 125.751 3.386 -11.911 227 H ASP 109 H ASP 109 129.118 0.344 -11.243 228 HA ASP 109 HA ASP 109 128.577 -1.419 -13.542 229 1HB ASP 109 2HB ASP 109 130.934 -2.112 -13.479 230 2HB ASP 109 1HB ASP 109 130.780 -0.381 -13.769 231 H GLY 110 H GLY 110 128.213 -1.132 -10.282 232 1HA GLY 110 2HA GLY 110 127.299 -2.822 -8.918 233 2HA GLY 110 1HA GLY 110 127.986 -4.031 -9.992 234 H TYR 111 H TYR 111 130.526 -2.165 -9.699 235 HA TYR 111 HA TYR 111 131.363 -3.118 -7.055 236 1HB TYR 111 2HB TYR 111 133.062 -3.411 -9.540 237 2HB TYR 111 1HB TYR 111 133.455 -3.967 -7.918 238 HD1 TYR 111 HD1 TYR 111 131.892 -5.748 -6.886 239 HD2 TYR 111 HD2 TYR 111 132.010 -4.847 -11.043 240 HE1 TYR 111 HE1 TYR 111 130.869 -7.929 -7.381 241 HE2 TYR 111 HE2 TYR 111 130.986 -7.025 -11.549 242 HH TYR 111 HH TYR 111 130.954 -9.414 -10.150 243 H ILE 112 H ILE 112 132.912 -1.852 -6.029 244 HA ILE 112 HA ILE 112 133.385 0.762 -7.294 245 HB ILE 112 HB ILE 112 133.478 0.104 -4.349 246 1HG1 ILE 112 2HG1 ILE 112 131.333 1.867 -5.200 247 2HG1 ILE 112 1HG1 ILE 112 131.218 0.295 -5.987 248 1HG2 ILE 112 1HG2 ILE 112 134.786 1.993 -4.610 249 2HG2 ILE 112 2HG2 ILE 112 133.194 2.680 -4.285 250 3HG2 ILE 112 3HG2 ILE 112 133.807 2.614 -5.938 251 1HD1 ILE 112 1HD1 ILE 112 131.605 -0.576 -3.533 252 2HD1 ILE 112 2HD1 ILE 112 130.005 -0.103 -4.107 253 3HD1 ILE 112 3HD1 ILE 112 130.954 1.010 -3.122 254 H ASP 113 H ASP 113 135.390 1.358 -7.771 255 HA ASP 113 HA ASP 113 137.606 -0.286 -6.751 256 1HB ASP 113 2HB ASP 113 138.867 0.513 -8.728 257 2HB ASP 113 1HB ASP 113 137.398 -0.349 -9.174 258 H LEU 114 H LEU 114 139.764 1.199 -7.090 259 HA LEU 114 HA LEU 114 139.665 3.038 -4.949 260 1HB LEU 114 2HB LEU 114 141.646 1.645 -5.859 261 2HB LEU 114 1HB LEU 114 141.872 2.975 -6.977 262 HG LEU 114 HG LEU 114 141.771 4.343 -4.652 263 1HD1 LEU 114 1HD1 LEU 114 143.276 3.022 -3.091 264 2HD1 LEU 114 2HD1 LEU 114 142.798 1.596 -4.011 265 3HD1 LEU 114 3HD1 LEU 114 141.579 2.543 -3.158 266 1HD2 LEU 114 1HD2 LEU 114 144.277 3.017 -5.664 267 2HD2 LEU 114 2HD2 LEU 114 144.136 4.563 -4.830 268 3HD2 LEU 114 3HD2 LEU 114 143.500 4.382 -6.465 269 H GLU 115 H GLU 115 139.462 3.404 -8.423 270 HA GLU 115 HA GLU 115 139.936 6.193 -8.525 271 1HB GLU 115 2HB GLU 115 138.925 4.117 -10.361 272 2HB GLU 115 1HB GLU 115 138.362 5.748 -10.695 273 1HG GLU 115 2HG GLU 115 141.268 5.207 -10.266 274 2HG GLU 115 1HG GLU 115 140.514 4.890 -11.828 275 H GLU 116 H GLU 116 136.878 4.361 -8.716 276 HA GLU 116 HA GLU 116 135.169 6.568 -8.662 277 1HB GLU 116 2HB GLU 116 134.845 3.677 -7.933 278 2HB GLU 116 1HB GLU 116 133.536 4.811 -7.621 279 1HG GLU 116 2HG GLU 116 132.874 4.321 -9.688 280 2HG GLU 116 1HG GLU 116 134.174 5.393 -10.205 281 H LEU 117 H LEU 117 136.295 4.520 -5.980 282 HA LEU 117 HA LEU 117 134.930 5.803 -3.916 283 1HB LEU 117 2HB LEU 117 136.207 3.636 -3.784 284 2HB LEU 117 1HB LEU 117 137.680 4.583 -3.705 285 HG LEU 117 HG LEU 117 136.867 5.636 -1.617 286 1HD1 LEU 117 1HD1 LEU 117 134.950 4.344 -0.492 287 2HD1 LEU 117 2HD1 LEU 117 134.526 3.839 -2.129 288 3HD1 LEU 117 3HD1 LEU 117 134.545 5.553 -1.712 289 1HD2 LEU 117 1HD2 LEU 117 137.726 3.976 -0.352 290 2HD2 LEU 117 2HD2 LEU 117 138.076 3.252 -1.922 291 3HD2 LEU 117 3HD2 LEU 117 136.642 2.757 -1.022 292 H LYS 118 H LYS 118 137.999 6.577 -5.453 293 HA LYS 118 HA LYS 118 139.000 8.456 -3.685 294 1HB LYS 118 2HB LYS 118 140.141 7.543 -5.730 295 2HB LYS 118 1HB LYS 118 139.171 8.651 -6.693 296 1HG LYS 118 2HG LYS 118 140.233 10.356 -4.882 297 2HG LYS 118 1HG LYS 118 141.526 9.163 -5.018 298 1HD LYS 118 2HD LYS 118 140.939 9.504 -7.620 299 2HD LYS 118 1HD LYS 118 140.508 11.100 -7.003 300 1HE LYS 118 2HE LYS 118 142.742 11.248 -5.948 301 2HE LYS 118 1HE LYS 118 143.163 9.703 -6.687 302 1HZ LYS 118 1HZ LYS 118 143.950 11.033 -8.300 303 2HZ LYS 118 2HZ LYS 118 142.953 12.336 -7.891 304 3HZ LYS 118 3HZ LYS 118 142.341 11.062 -8.819 305 H ILE 119 H ILE 119 136.260 8.697 -5.770 306 HA ILE 119 HA ILE 119 136.182 11.581 -5.765 307 HB ILE 119 HB ILE 119 133.981 9.674 -6.556 308 1HG1 ILE 119 2HG1 ILE 119 135.959 10.960 -8.433 309 2HG1 ILE 119 1HG1 ILE 119 136.241 9.369 -7.734 310 1HG2 ILE 119 1HG2 ILE 119 134.472 12.598 -6.969 311 2HG2 ILE 119 2HG2 ILE 119 133.024 11.782 -6.378 312 3HG2 ILE 119 3HG2 ILE 119 133.458 11.682 -8.085 313 1HD1 ILE 119 1HD1 ILE 119 133.720 9.098 -8.715 314 2HD1 ILE 119 2HD1 ILE 119 135.196 8.623 -9.557 315 3HD1 ILE 119 3HD1 ILE 119 134.454 10.188 -9.891 316 H MET 120 H MET 120 134.755 8.956 -3.960 317 HA MET 120 HA MET 120 132.609 10.181 -2.746 318 1HB MET 120 2HB MET 120 133.588 7.741 -2.588 319 2HB MET 120 1HB MET 120 134.332 8.363 -1.122 320 1HG MET 120 2HG MET 120 131.386 8.543 -1.679 321 2HG MET 120 1HG MET 120 132.134 7.194 -0.825 322 1HE MET 120 1HE MET 120 133.131 7.270 1.500 323 2HE MET 120 2HE MET 120 133.369 8.724 2.470 324 3HE MET 120 3HE MET 120 134.337 8.463 1.020 325 H LEU 121 H LEU 121 136.014 10.319 -1.778 326 HA LEU 121 HA LEU 121 135.282 12.074 0.438 327 1HB LEU 121 2HB LEU 121 137.975 11.943 0.636 328 2HB LEU 121 1HB LEU 121 136.860 10.857 1.434 329 HG LEU 121 HG LEU 121 138.793 9.734 0.357 330 1HD1 LEU 121 1HD1 LEU 121 135.980 9.080 0.004 331 2HD1 LEU 121 2HD1 LEU 121 137.321 8.083 0.565 332 3HD1 LEU 121 3HD1 LEU 121 137.036 8.285 -1.162 333 1HD2 LEU 121 1HD2 LEU 121 137.811 9.721 -2.328 334 2HD2 LEU 121 2HD2 LEU 121 139.404 10.177 -1.725 335 3HD2 LEU 121 3HD2 LEU 121 138.121 11.382 -1.821 336 H GLN 122 H GLN 122 136.499 12.321 -2.762 337 HA GLN 122 HA GLN 122 137.853 14.826 -2.344 338 1HB GLN 122 2HB GLN 122 138.540 14.670 -4.514 339 2HB GLN 122 1HB GLN 122 138.158 12.980 -4.232 340 1HG GLN 122 2HG GLN 122 135.928 13.376 -5.253 341 2HG GLN 122 1HG GLN 122 136.445 15.015 -5.641 342 1HE2 GLN 122 1HE2 GLN 122 136.818 15.132 -7.731 343 2HE2 GLN 122 2HE2 GLN 122 137.697 13.983 -8.675 344 H ALA 123 H ALA 123 134.772 13.812 -3.769 345 HA ALA 123 HA ALA 123 133.870 16.328 -4.581 346 1HB ALA 123 1HB ALA 123 132.655 14.554 -5.438 347 2HB ALA 123 2HB ALA 123 131.553 15.226 -4.235 348 3HB ALA 123 3HB ALA 123 132.486 13.776 -3.864 349 H THR 124 H THR 124 133.877 14.800 -1.438 350 HA THR 124 HA THR 124 132.007 16.529 -0.192 351 HB THR 124 HB THR 124 132.887 15.648 1.913 352 HG1 THR 124 HG1 THR 124 134.966 14.708 0.254 353 1HG2 THR 124 1HG2 THR 124 133.025 13.092 1.036 354 2HG2 THR 124 2HG2 THR 124 132.170 13.868 -0.295 355 3HG2 THR 124 3HG2 THR 124 131.528 13.970 1.343 356 H GLY 125 H GLY 125 132.713 17.925 1.740 357 1HA GLY 125 2HA GLY 125 134.584 19.891 0.700 358 2HA GLY 125 1HA GLY 125 133.525 20.090 2.087 359 H GLU 126 H GLU 126 135.156 17.165 2.303 360 HA GLU 126 HA GLU 126 136.953 18.291 4.310 361 1HB GLU 126 2HB GLU 126 137.331 15.810 4.835 362 2HB GLU 126 1HB GLU 126 135.753 16.490 5.206 363 1HG GLU 126 2HG GLU 126 134.750 15.441 3.355 364 2HG GLU 126 1HG GLU 126 136.312 15.041 2.640 365 H THR 127 H THR 127 139.117 17.036 4.502 366 HA THR 127 HA THR 127 140.301 16.841 1.809 367 HB THR 127 HB THR 127 142.429 17.623 2.902 368 HG1 THR 127 HG1 THR 127 140.689 18.318 5.029 369 1HG2 THR 127 1HG2 THR 127 140.688 19.147 1.731 370 2HG2 THR 127 2HG2 THR 127 141.989 19.866 2.682 371 3HG2 THR 127 3HG2 THR 127 140.371 19.727 3.366 372 H ILE 128 H ILE 128 140.644 14.756 1.398 373 HA ILE 128 HA ILE 128 141.853 13.101 3.518 374 HB ILE 128 HB ILE 128 140.140 12.087 1.249 375 1HG1 ILE 128 2HG1 ILE 128 138.525 11.609 3.207 376 2HG1 ILE 128 1HG1 ILE 128 139.458 12.812 4.090 377 1HG2 ILE 128 1HG2 ILE 128 141.683 10.831 3.430 378 2HG2 ILE 128 2HG2 ILE 128 141.294 10.229 1.819 379 3HG2 ILE 128 3HG2 ILE 128 140.089 10.153 3.103 380 1HD1 ILE 128 1HD1 ILE 128 138.758 13.859 1.531 381 2HD1 ILE 128 2HD1 ILE 128 138.312 14.440 3.136 382 3HD1 ILE 128 3HD1 ILE 128 137.316 13.229 2.328 383 H THR 129 H THR 129 143.592 11.821 2.992 384 HA THR 129 HA THR 129 144.893 12.471 0.454 385 HB THR 129 HB THR 129 146.338 10.865 2.475 386 HG1 THR 129 HG1 THR 129 145.409 12.212 3.919 387 1HG2 THR 129 1HG2 THR 129 147.876 13.009 2.006 388 2HG2 THR 129 2HG2 THR 129 146.938 12.968 0.511 389 3HG2 THR 129 3HG2 THR 129 147.881 11.559 1.000 390 H GLU 130 H GLU 130 146.529 10.466 -0.070 391 HA GLU 130 HA GLU 130 144.729 8.366 -0.926 392 1HB GLU 130 2HB GLU 130 146.704 7.545 -2.194 393 2HB GLU 130 1HB GLU 130 146.278 9.212 -2.560 394 1HG GLU 130 2HG GLU 130 148.167 9.172 -0.419 395 2HG GLU 130 1HG GLU 130 148.768 8.185 -1.751 396 H ASP 131 H ASP 131 146.079 8.806 1.924 397 HA ASP 131 HA ASP 131 147.249 6.162 2.267 398 1HB ASP 131 2HB ASP 131 147.385 8.709 3.674 399 2HB ASP 131 1HB ASP 131 147.112 7.361 4.775 400 H ASP 132 H ASP 132 144.644 8.099 3.737 401 HA ASP 132 HA ASP 132 143.543 5.935 5.199 402 1HB ASP 132 2HB ASP 132 143.123 8.706 5.036 403 2HB ASP 132 1HB ASP 132 141.586 7.975 4.587 404 H ILE 133 H ILE 133 143.057 7.152 1.959 405 HA ILE 133 HA ILE 133 140.618 5.759 1.460 406 HB ILE 133 HB ILE 133 142.623 6.721 -0.582 407 1HG1 ILE 133 2HG1 ILE 133 140.206 8.223 0.424 408 2HG1 ILE 133 1HG1 ILE 133 141.815 8.459 1.100 409 1HG2 ILE 133 1HG2 ILE 133 141.199 5.564 -1.895 410 2HG2 ILE 133 2HG2 ILE 133 140.202 7.009 -1.725 411 3HG2 ILE 133 3HG2 ILE 133 139.898 5.604 -0.705 412 1HD1 ILE 133 1HD1 ILE 133 141.293 10.162 -0.544 413 2HD1 ILE 133 2HD1 ILE 133 141.015 8.919 -1.764 414 3HD1 ILE 133 3HD1 ILE 133 142.630 9.152 -1.093 415 H GLU 134 H GLU 134 143.977 5.156 0.410 416 HA GLU 134 HA GLU 134 143.543 2.756 -0.910 417 1HB GLU 134 2HB GLU 134 145.709 4.285 -0.486 418 2HB GLU 134 1HB GLU 134 146.050 2.996 0.658 419 1HG GLU 134 2HG GLU 134 146.253 1.402 -0.990 420 2HG GLU 134 1HG GLU 134 145.294 2.323 -2.146 421 H GLU 135 H GLU 135 143.737 3.407 2.508 422 HA GLU 135 HA GLU 135 143.861 0.566 3.152 423 1HB GLU 135 2HB GLU 135 144.095 1.269 5.461 424 2HB GLU 135 1HB GLU 135 145.228 2.156 4.451 425 1HG GLU 135 2HG GLU 135 143.583 4.043 4.424 426 2HG GLU 135 1HG GLU 135 142.649 3.158 5.627 427 H LEU 136 H LEU 136 141.477 2.170 1.970 428 HA LEU 136 HA LEU 136 139.477 1.516 4.014 429 1HB LEU 136 2HB LEU 136 139.707 3.775 2.614 430 2HB LEU 136 1HB LEU 136 138.729 2.867 1.476 431 HG LEU 136 HG LEU 136 137.718 2.789 4.229 432 1HD1 LEU 136 1HD1 LEU 136 138.355 5.001 4.496 433 2HD1 LEU 136 2HD1 LEU 136 136.719 5.140 3.853 434 3HD1 LEU 136 3HD1 LEU 136 138.107 5.383 2.793 435 1HD2 LEU 136 1HD2 LEU 136 135.688 3.654 2.753 436 2HD2 LEU 136 2HD2 LEU 136 136.185 1.961 2.765 437 3HD2 LEU 136 3HD2 LEU 136 136.699 3.022 1.453 438 H MET 137 H MET 137 140.536 0.728 0.779 439 HA MET 137 HA MET 137 138.253 -0.967 0.244 440 1HB MET 137 2HB MET 137 140.826 -0.807 -1.325 441 2HB MET 137 1HB MET 137 139.264 -1.389 -1.884 442 1HG MET 137 2HG MET 137 138.656 1.148 -1.120 443 2HG MET 137 1HG MET 137 140.308 1.336 -1.705 444 1HE MET 137 1HE MET 137 137.402 -0.865 -2.384 445 2HE MET 137 2HE MET 137 137.254 -0.939 -4.140 446 3HE MET 137 3HE MET 137 136.475 0.365 -3.242 447 H LYS 138 H LYS 138 141.651 -1.347 1.118 448 HA LYS 138 HA LYS 138 141.865 -4.115 0.837 449 1HB LYS 138 2HB LYS 138 143.292 -2.040 2.424 450 2HB LYS 138 1HB LYS 138 143.557 -3.723 2.859 451 1HG LYS 138 2HG LYS 138 143.764 -3.477 0.031 452 2HG LYS 138 1HG LYS 138 144.759 -2.229 0.784 453 1HD LYS 138 2HD LYS 138 144.865 -5.086 1.705 454 2HD LYS 138 1HD LYS 138 145.825 -4.525 0.335 455 1HE LYS 138 2HE LYS 138 147.210 -3.286 1.637 456 2HE LYS 138 1HE LYS 138 145.942 -2.891 2.795 457 1HZ LYS 138 1HZ LYS 138 147.248 -4.301 4.010 458 2HZ LYS 138 2HZ LYS 138 147.679 -5.255 2.681 459 3HZ LYS 138 3HZ LYS 138 146.140 -5.406 3.366 460 H ASP 139 H ASP 139 140.407 -2.177 3.342 461 HA ASP 139 HA ASP 139 140.166 -4.370 5.201 462 1HB ASP 139 2HB ASP 139 140.355 -1.849 5.756 463 2HB ASP 139 1HB ASP 139 138.635 -1.787 5.383 464 H GLY 140 H GLY 140 138.553 -3.567 2.396 465 1HA GLY 140 2HA GLY 140 136.107 -4.924 3.345 466 2HA GLY 140 1HA GLY 140 136.070 -3.621 2.169 467 H ASP 141 H ASP 141 138.775 -5.267 1.397 468 HA ASP 141 HA ASP 141 137.362 -6.803 -0.656 469 1HB ASP 141 2HB ASP 141 139.991 -5.458 -0.479 470 2HB ASP 141 1HB ASP 141 139.970 -6.975 -1.373 471 H LYS 142 H LYS 142 136.794 -8.671 0.416 472 HA LYS 142 HA LYS 142 138.679 -10.150 1.995 473 1HB LYS 142 2HB LYS 142 136.022 -11.079 0.896 474 2HB LYS 142 1HB LYS 142 136.923 -11.796 2.225 475 1HG LYS 142 2HG LYS 142 135.593 -9.098 2.186 476 2HG LYS 142 1HG LYS 142 135.101 -10.518 3.110 477 1HD LYS 142 2HD LYS 142 137.784 -10.068 3.785 478 2HD LYS 142 1HD LYS 142 137.022 -8.476 3.773 479 1HE LYS 142 2HE LYS 142 136.849 -9.431 5.981 480 2HE LYS 142 1HE LYS 142 135.247 -9.351 5.248 481 1HZ LYS 142 1HZ LYS 142 135.713 -11.754 4.556 482 2HZ LYS 142 2HZ LYS 142 135.336 -11.458 6.179 483 3HZ LYS 142 3HZ LYS 142 136.942 -11.722 5.718 484 H ASN 143 H ASN 143 137.416 -10.339 -1.288 485 HA ASN 143 HA ASN 143 138.876 -12.786 -1.834 486 1HB ASN 143 2HB ASN 143 137.942 -12.457 -4.160 487 2HB ASN 143 1HB ASN 143 136.742 -12.641 -2.885 488 1HD2 ASN 143 1HD2 ASN 143 135.168 -11.605 -4.096 489 2HD2 ASN 143 2HD2 ASN 143 135.180 -9.898 -4.360 490 H ASN 144 H ASN 144 139.729 -9.609 -1.633 491 HA ASN 144 HA ASN 144 141.416 -8.324 -2.444 492 1HB ASN 144 2HB ASN 144 142.465 -11.096 -2.356 493 2HB ASN 144 1HB ASN 144 143.421 -9.928 -3.262 494 1HD2 ASN 144 1HD2 ASN 144 142.389 -10.983 -0.167 495 2HD2 ASN 144 2HD2 ASN 144 143.330 -9.878 0.769 496 H ASP 145 H ASP 145 139.343 -9.179 -4.366 497 HA ASP 145 HA ASP 145 140.573 -9.713 -6.872 498 1HB ASP 145 2HB ASP 145 138.379 -9.196 -7.833 499 2HB ASP 145 1HB ASP 145 138.215 -10.248 -6.431 500 H GLY 146 H GLY 146 139.633 -6.784 -5.171 501 1HA GLY 146 2HA GLY 146 141.170 -4.868 -5.674 502 2HA GLY 146 1HA GLY 146 140.833 -5.206 -7.365 503 H ARG 147 H ARG 147 138.030 -5.748 -5.665 504 HA ARG 147 HA ARG 147 137.152 -2.986 -5.575 505 1HB ARG 147 2HB ARG 147 135.796 -4.990 -7.389 506 2HB ARG 147 1HB ARG 147 135.265 -3.340 -7.088 507 1HG ARG 147 2HG ARG 147 137.561 -2.646 -7.995 508 2HG ARG 147 1HG ARG 147 137.652 -4.293 -8.621 509 1HD ARG 147 2HD ARG 147 135.598 -3.956 -9.871 510 2HD ARG 147 1HD ARG 147 135.430 -2.336 -9.195 511 HE ARG 147 HE ARG 147 137.852 -2.248 -10.386 512 1HH1 ARG 147 1HH1 ARG 147 134.695 -3.234 -11.500 513 2HH1 ARG 147 2HH1 ARG 147 134.993 -2.775 -13.142 514 1HH2 ARG 147 1HH2 ARG 147 138.246 -1.645 -12.545 515 2HH2 ARG 147 2HH2 ARG 147 137.009 -1.872 -13.737 516 H ILE 148 H ILE 148 134.963 -2.778 -4.666 517 HA ILE 148 HA ILE 148 134.398 -5.004 -2.825 518 HB ILE 148 HB ILE 148 133.628 -2.100 -2.504 519 1HG1 ILE 148 2HG1 ILE 148 135.767 -3.620 -1.005 520 2HG1 ILE 148 1HG1 ILE 148 136.110 -2.600 -2.400 521 1HG2 ILE 148 1HG2 ILE 148 133.408 -4.476 -0.664 522 2HG2 ILE 148 2HG2 ILE 148 132.093 -3.515 -1.341 523 3HG2 ILE 148 3HG2 ILE 148 133.182 -2.804 -0.151 524 1HD1 ILE 148 1HD1 ILE 148 134.624 -1.479 -0.069 525 2HD1 ILE 148 2HD1 ILE 148 135.638 -0.659 -1.258 526 3HD1 ILE 148 3HD1 ILE 148 136.378 -1.655 -0.003 527 H ASP 149 H ASP 149 132.544 -6.057 -2.990 528 HA ASP 149 HA ASP 149 130.476 -4.976 -4.774 529 1HB ASP 149 2HB ASP 149 129.649 -7.314 -4.897 530 2HB ASP 149 1HB ASP 149 131.312 -7.152 -5.451 531 H TYR 150 H TYR 150 128.196 -5.852 -4.142 532 HA TYR 150 HA TYR 150 127.415 -4.568 -1.794 533 1HB TYR 150 2HB TYR 150 125.893 -5.033 -3.683 534 2HB TYR 150 1HB TYR 150 125.937 -6.747 -3.287 535 HD1 TYR 150 HD1 TYR 150 124.276 -7.618 -1.924 536 HD2 TYR 150 HD2 TYR 150 125.114 -3.450 -1.734 537 HE1 TYR 150 HE1 TYR 150 122.376 -7.311 -0.392 538 HE2 TYR 150 HE2 TYR 150 123.217 -3.133 -0.201 539 HH TYR 150 HH TYR 150 120.963 -4.461 0.238 540 H ASP 151 H ASP 151 128.494 -7.826 -2.329 541 HA ASP 151 HA ASP 151 127.492 -8.901 0.119 542 1HB ASP 151 2HB ASP 151 128.736 -9.923 -2.182 543 2HB ASP 151 1HB ASP 151 129.844 -10.279 -0.860 544 H GLU 152 H GLU 152 130.758 -7.965 -0.950 545 HA GLU 152 HA GLU 152 131.973 -8.277 1.571 546 1HB GLU 152 2HB GLU 152 132.861 -6.447 -0.660 547 2HB GLU 152 1HB GLU 152 133.862 -7.100 0.629 548 1HG GLU 152 2HG GLU 152 133.364 -9.384 -0.269 549 2HG GLU 152 1HG GLU 152 132.603 -8.598 -1.651 550 H PHE 153 H PHE 153 130.448 -5.499 0.005 551 HA PHE 153 HA PHE 153 131.248 -3.621 1.991 552 1HB PHE 153 2HB PHE 153 129.932 -3.515 -0.497 553 2HB PHE 153 1HB PHE 153 128.809 -2.831 0.673 554 HD1 PHE 153 HD1 PHE 153 130.432 -1.417 2.543 555 HD2 PHE 153 HD2 PHE 153 130.949 -1.821 -1.662 556 HE1 PHE 153 HE1 PHE 153 131.677 0.705 2.496 557 HE2 PHE 153 HE2 PHE 153 132.197 0.300 -1.715 558 HZ PHE 153 HZ PHE 153 132.562 1.565 0.364 559 H LEU 154 H LEU 154 128.591 -5.848 1.678 560 HA LEU 154 HA LEU 154 126.795 -4.710 3.498 561 1HB LEU 154 2HB LEU 154 127.105 -7.204 2.107 562 2HB LEU 154 1HB LEU 154 126.639 -7.521 3.768 563 HG LEU 154 HG LEU 154 124.652 -6.147 3.520 564 1HD1 LEU 154 1HD1 LEU 154 124.200 -4.778 1.776 565 2HD1 LEU 154 2HD1 LEU 154 125.016 -5.814 0.605 566 3HD1 LEU 154 3HD1 LEU 154 125.958 -4.753 1.652 567 1HD2 LEU 154 1HD2 LEU 154 125.162 -8.322 1.540 568 2HD2 LEU 154 2HD2 LEU 154 123.621 -7.466 1.525 569 3HD2 LEU 154 3HD2 LEU 154 124.138 -8.326 2.975 570 H GLU 155 H GLU 155 129.492 -6.948 3.996 571 HA GLU 155 HA GLU 155 129.063 -7.126 6.831 572 1HB GLU 155 2HB GLU 155 131.251 -8.056 4.985 573 2HB GLU 155 1HB GLU 155 131.397 -8.204 6.730 574 1HG GLU 155 2HG GLU 155 128.865 -9.227 5.800 575 2HG GLU 155 1HG GLU 155 130.217 -10.009 4.983 576 H PHE 156 H PHE 156 131.009 -5.195 4.667 577 HA PHE 156 HA PHE 156 132.887 -4.159 6.441 578 1HB PHE 156 2HB PHE 156 132.581 -3.852 3.853 579 2HB PHE 156 1HB PHE 156 131.677 -2.417 4.326 580 HD1 PHE 156 HD1 PHE 156 134.757 -3.914 5.788 581 HD2 PHE 156 HD2 PHE 156 132.996 -0.610 3.762 582 HE1 PHE 156 HE1 PHE 156 136.865 -2.661 6.005 583 HE2 PHE 156 HE2 PHE 156 135.101 0.646 3.973 584 HZ PHE 156 HZ PHE 156 137.038 -0.379 5.096 585 H MET 157 H MET 157 129.514 -3.388 6.017 586 HA MET 157 HA MET 157 129.758 -1.175 7.934 587 1HB MET 157 2HB MET 157 127.493 -1.892 6.064 588 2HB MET 157 1HB MET 157 127.478 -0.541 7.189 589 1HG MET 157 2HG MET 157 129.562 -0.844 5.050 590 2HG MET 157 1HG MET 157 128.028 -0.017 4.781 591 1HE MET 157 1HE MET 157 131.637 0.416 5.699 592 2HE MET 157 2HE MET 157 131.575 2.178 5.687 593 3HE MET 157 3HE MET 157 130.911 1.263 4.333 594 H LYS 158 H LYS 158 129.213 -4.383 8.022 595 HA LYS 158 HA LYS 158 127.074 -4.266 10.022 596 1HB LYS 158 2HB LYS 158 126.988 -5.921 8.109 597 2HB LYS 158 1HB LYS 158 128.362 -6.730 8.849 598 1HG LYS 158 2HG LYS 158 126.743 -7.967 9.804 599 2HG LYS 158 1HG LYS 158 126.715 -6.635 10.960 600 1HD LYS 158 2HD LYS 158 125.029 -6.369 8.537 601 2HD LYS 158 1HD LYS 158 124.514 -7.536 9.756 602 1HE LYS 158 2HE LYS 158 125.334 -4.932 10.826 603 2HE LYS 158 1HE LYS 158 123.913 -4.880 9.783 604 1HZ LYS 158 1HZ LYS 158 122.676 -6.007 11.266 605 2HZ LYS 158 2HZ LYS 158 123.805 -5.422 12.379 606 3HZ LYS 158 3HZ LYS 158 123.951 -6.995 11.775 607 H GLY 159 H GLY 159 129.653 -3.217 10.627 608 1HA GLY 159 2HA GLY 159 130.591 -3.344 12.866 609 2HA GLY 159 1HA GLY 159 130.472 -5.096 12.752 610 H VAL 160 H VAL 160 132.562 -2.522 12.547 611 HA VAL 160 HA VAL 160 134.528 -4.176 11.123 612 HB VAL 160 HB VAL 160 135.113 -1.393 10.679 613 1HG1 VAL 160 1HG1 VAL 160 136.098 -3.060 9.326 614 2HG1 VAL 160 2HG1 VAL 160 134.984 -2.176 8.282 615 3HG1 VAL 160 3HG1 VAL 160 134.531 -3.759 8.917 616 1HG2 VAL 160 1HG2 VAL 160 133.223 -0.946 9.086 617 2HG2 VAL 160 2HG2 VAL 160 132.786 -0.888 10.794 618 3HG2 VAL 160 3HG2 VAL 160 132.369 -2.302 9.823 619 H GLU 161 H GLU 161 134.507 -4.340 13.753 620 HA GLU 161 HA GLU 161 135.875 -2.361 15.206 621 1HB GLU 161 2HB GLU 161 136.223 -4.071 16.895 622 2HB GLU 161 1HB GLU 161 134.591 -4.188 16.253 623 1HG GLU 161 2HG GLU 161 135.194 -6.085 14.913 624 2HG GLU 161 1HG GLU 161 136.887 -5.919 15.373 Start of MODEL 4 1 1H MET 81 1HT MET 81 93.373 -14.282 -2.177 2 2H MET 81 2HT MET 81 94.502 -14.336 -0.886 3 3H MET 81 3HT MET 81 94.615 -13.105 -2.076 4 HA MET 81 HA MET 81 92.352 -12.404 -1.375 5 1HB MET 81 2HB MET 81 93.076 -14.438 0.712 6 2HB MET 81 1HB MET 81 92.020 -13.093 1.115 7 1HG MET 81 2HG MET 81 90.836 -13.983 -1.137 8 2HG MET 81 1HG MET 81 91.505 -15.487 -0.506 9 1HE MET 81 1HE MET 81 90.024 -15.014 3.258 10 2HE MET 81 2HE MET 81 91.544 -14.463 2.554 11 3HE MET 81 3HE MET 81 91.010 -16.126 2.310 12 H VAL 82 H VAL 82 92.190 -10.770 0.402 13 HA VAL 82 HA VAL 82 94.676 -9.351 0.611 14 HB VAL 82 HB VAL 82 93.333 -7.672 1.881 15 1HG1 VAL 82 1HG1 VAL 82 91.609 -7.453 -0.171 16 2HG1 VAL 82 2HG1 VAL 82 92.761 -8.595 -0.862 17 3HG1 VAL 82 3HG1 VAL 82 93.315 -7.024 -0.283 18 1HG2 VAL 82 1HG2 VAL 82 90.990 -7.924 2.180 19 2HG2 VAL 82 2HG2 VAL 82 91.744 -9.384 2.820 20 3HG2 VAL 82 3HG2 VAL 82 90.963 -9.416 1.239 21 H ARG 83 H ARG 83 95.493 -8.488 2.671 22 HA ARG 83 HA ARG 83 96.377 -8.780 4.745 23 1HB ARG 83 2HB ARG 83 93.872 -8.616 5.273 24 2HB ARG 83 1HB ARG 83 93.916 -10.365 5.451 25 1HG ARG 83 2HG ARG 83 96.043 -9.442 6.991 26 2HG ARG 83 1HG ARG 83 94.730 -8.303 7.294 27 1HD ARG 83 2HD ARG 83 94.211 -11.248 7.352 28 2HD ARG 83 1HD ARG 83 94.939 -10.453 8.745 29 HE ARG 83 HE ARG 83 92.210 -10.256 7.865 30 1HH1 ARG 83 1HH1 ARG 83 94.753 -8.692 9.673 31 2HH1 ARG 83 2HH1 ARG 83 93.662 -7.770 10.651 32 1HH2 ARG 83 1HH2 ARG 83 90.773 -9.044 9.151 33 2HH2 ARG 83 2HH2 ARG 83 91.402 -7.970 10.355 34 H CYS 84 H CYS 84 98.121 -10.066 4.485 35 HA CYS 84 HA CYS 84 97.837 -12.857 5.214 36 1HB CYS 84 2HB CYS 84 99.301 -13.531 3.228 37 2HB CYS 84 1HB CYS 84 97.610 -13.181 2.888 38 HG CYS 84 HG CYS 84 98.956 -10.674 2.319 39 H MET 85 H MET 85 100.058 -10.320 4.098 40 HA MET 85 HA MET 85 101.743 -10.681 6.385 41 1HB MET 85 2HB MET 85 102.323 -12.450 4.453 42 2HB MET 85 1HB MET 85 103.267 -11.085 3.870 43 1HG MET 85 2HG MET 85 104.208 -10.985 6.258 44 2HG MET 85 1HG MET 85 103.549 -12.611 6.427 45 1HE MET 85 1HE MET 85 105.867 -10.226 5.002 46 2HE MET 85 2HE MET 85 105.979 -10.856 3.358 47 3HE MET 85 3HE MET 85 107.277 -11.168 4.511 48 H LYS 86 H LYS 86 103.038 -8.920 6.759 49 HA LYS 86 HA LYS 86 103.493 -6.962 4.674 50 1HB LYS 86 2HB LYS 86 102.515 -5.122 6.124 51 2HB LYS 86 1HB LYS 86 101.357 -6.178 5.325 52 1HG LYS 86 2HG LYS 86 101.720 -7.446 7.714 53 2HG LYS 86 1HG LYS 86 101.860 -5.748 8.170 54 1HD LYS 86 2HD LYS 86 99.592 -6.851 6.519 55 2HD LYS 86 1HD LYS 86 99.535 -6.693 8.276 56 1HE LYS 86 2HE LYS 86 100.183 -4.367 6.491 57 2HE LYS 86 1HE LYS 86 98.520 -4.806 6.875 58 1HZ LYS 86 1HZ LYS 86 100.570 -3.629 8.578 59 2HZ LYS 86 2HZ LYS 86 99.541 -4.756 9.308 60 3HZ LYS 86 3HZ LYS 86 98.896 -3.379 8.566 61 H ASP 87 H ASP 87 103.665 -7.630 8.160 62 HA ASP 87 HA ASP 87 106.320 -6.349 8.187 63 1HB ASP 87 2HB ASP 87 104.059 -5.972 9.879 64 2HB ASP 87 1HB ASP 87 105.331 -6.719 10.840 65 H ASP 88 H ASP 88 107.554 -8.122 7.667 66 HA ASP 88 HA ASP 88 107.640 -10.228 9.717 67 1HB ASP 88 2HB ASP 88 106.507 -11.167 7.772 68 2HB ASP 88 1HB ASP 88 107.828 -10.657 6.727 69 H SER 89 H SER 89 109.525 -9.765 6.746 70 HA SER 89 HA SER 89 111.897 -9.257 8.415 71 1HB SER 89 2HB SER 89 112.097 -10.771 5.831 72 2HB SER 89 1HB SER 89 113.200 -10.768 7.208 73 HG SER 89 HG SER 89 110.797 -12.156 6.845 74 H LYS 90 H LYS 90 110.105 -7.408 6.972 75 HA LYS 90 HA LYS 90 111.728 -6.477 4.745 76 1HB LYS 90 2HB LYS 90 108.989 -5.962 5.741 77 2HB LYS 90 1HB LYS 90 109.791 -4.609 4.955 78 1HG LYS 90 2HG LYS 90 110.221 -6.077 2.997 79 2HG LYS 90 1HG LYS 90 109.255 -7.327 3.782 80 1HD LYS 90 2HD LYS 90 107.287 -6.035 3.649 81 2HD LYS 90 1HD LYS 90 108.185 -4.564 3.275 82 1HE LYS 90 2HE LYS 90 106.976 -5.670 1.342 83 2HE LYS 90 1HE LYS 90 108.682 -5.302 1.092 84 1HZ LYS 90 1HZ LYS 90 107.954 -7.554 0.341 85 2HZ LYS 90 2HZ LYS 90 107.713 -7.963 1.964 86 3HZ LYS 90 3HZ LYS 90 109.261 -7.557 1.416 87 H GLY 91 H GLY 91 113.478 -6.153 6.493 88 1HA GLY 91 2HA GLY 91 113.189 -3.783 8.121 89 2HA GLY 91 1HA GLY 91 114.637 -4.764 7.951 90 H LYS 92 H LYS 92 114.924 -2.065 8.012 91 HA LYS 92 HA LYS 92 115.467 -1.396 5.198 92 1HB LYS 92 2HB LYS 92 114.808 0.486 7.470 93 2HB LYS 92 1HB LYS 92 115.242 0.986 5.841 94 1HG LYS 92 2HG LYS 92 112.881 -0.779 6.421 95 2HG LYS 92 1HG LYS 92 112.782 0.983 6.402 96 1HD LYS 92 2HD LYS 92 113.099 1.114 4.136 97 2HD LYS 92 1HD LYS 92 114.024 -0.387 4.071 98 1HE LYS 92 2HE LYS 92 111.443 -1.081 4.948 99 2HE LYS 92 1HE LYS 92 111.226 0.045 3.609 100 1HZ LYS 92 1HZ LYS 92 113.039 -2.289 3.433 101 2HZ LYS 92 2HZ LYS 92 112.431 -1.341 2.171 102 3HZ LYS 92 3HZ LYS 92 111.402 -2.382 3.016 103 H THR 93 H THR 93 117.176 -2.828 7.030 104 HA THR 93 HA THR 93 119.394 -0.907 7.297 105 HB THR 93 HB THR 93 119.206 -3.499 8.807 106 HG1 THR 93 HG1 THR 93 117.340 -2.275 9.279 107 1HG2 THR 93 1HG2 THR 93 120.493 -2.150 10.494 108 2HG2 THR 93 2HG2 THR 93 120.692 -0.930 9.238 109 3HG2 THR 93 3HG2 THR 93 121.350 -2.549 9.006 110 H GLU 94 H GLU 94 118.750 -4.367 6.740 111 HA GLU 94 HA GLU 94 121.345 -4.772 5.552 112 1HB GLU 94 2HB GLU 94 119.038 -6.711 5.534 113 2HB GLU 94 1HB GLU 94 120.754 -7.072 5.404 114 1HG GLU 94 2HG GLU 94 121.026 -6.205 7.732 115 2HG GLU 94 1HG GLU 94 119.268 -6.104 7.831 116 H GLU 95 H GLU 95 118.092 -4.229 4.429 117 HA GLU 95 HA GLU 95 118.873 -4.811 1.668 118 1HB GLU 95 2HB GLU 95 116.524 -4.623 1.118 119 2HB GLU 95 1HB GLU 95 116.710 -5.683 2.509 120 1HG GLU 95 2HG GLU 95 115.054 -4.457 3.371 121 2HG GLU 95 1HG GLU 95 116.337 -3.304 3.737 122 H GLU 96 H GLU 96 118.849 -2.223 3.775 123 HA GLU 96 HA GLU 96 118.227 -0.202 1.781 124 1HB GLU 96 2HB GLU 96 118.711 -0.237 4.719 125 2HB GLU 96 1HB GLU 96 119.032 1.259 3.855 126 1HG GLU 96 2HG GLU 96 116.429 -0.239 3.965 127 2HG GLU 96 1HG GLU 96 116.804 1.299 4.741 128 H LEU 97 H LEU 97 120.980 -1.712 3.270 129 HA LEU 97 HA LEU 97 122.949 0.204 2.794 130 1HB LEU 97 2HB LEU 97 123.001 -2.790 2.980 131 2HB LEU 97 1HB LEU 97 124.461 -1.892 2.606 132 HG LEU 97 HG LEU 97 122.806 -1.387 5.075 133 1HD1 LEU 97 1HD1 LEU 97 125.277 -3.091 4.795 134 2HD1 LEU 97 2HD1 LEU 97 123.643 -3.689 5.083 135 3HD1 LEU 97 3HD1 LEU 97 124.446 -2.695 6.299 136 1HD2 LEU 97 1HD2 LEU 97 125.697 -0.731 4.613 137 2HD2 LEU 97 2HD2 LEU 97 124.592 -0.077 5.822 138 3HD2 LEU 97 3HD2 LEU 97 124.408 0.370 4.125 139 H SER 98 H SER 98 121.207 -1.772 0.578 140 HA SER 98 HA SER 98 123.096 -1.910 -1.515 141 1HB SER 98 2HB SER 98 120.862 -3.191 -1.227 142 2HB SER 98 1HB SER 98 120.125 -1.775 -1.978 143 HG SER 98 HG SER 98 120.758 -3.495 -3.451 144 H ASP 99 H ASP 99 120.483 0.395 -0.819 145 HA ASP 99 HA ASP 99 120.786 2.002 -3.086 146 1HB ASP 99 2HB ASP 99 119.312 2.091 -0.636 147 2HB ASP 99 1HB ASP 99 120.052 3.668 -0.898 148 H LEU 100 H LEU 100 122.425 2.065 0.033 149 HA LEU 100 HA LEU 100 123.861 4.475 -0.451 150 1HB LEU 100 2HB LEU 100 124.071 2.248 1.537 151 2HB LEU 100 1HB LEU 100 125.364 3.426 1.416 152 HG LEU 100 HG LEU 100 123.345 5.136 1.650 153 1HD1 LEU 100 1HD1 LEU 100 121.609 4.337 3.094 154 2HD1 LEU 100 2HD1 LEU 100 122.357 2.743 3.190 155 3HD1 LEU 100 3HD1 LEU 100 121.667 3.303 1.666 156 1HD2 LEU 100 1HD2 LEU 100 125.370 4.753 3.131 157 2HD2 LEU 100 2HD2 LEU 100 124.343 3.682 4.084 158 3HD2 LEU 100 3HD2 LEU 100 123.926 5.387 3.919 159 H PHE 101 H PHE 101 124.378 1.119 -1.213 160 HA PHE 101 HA PHE 101 127.144 1.176 -1.688 161 1HB PHE 101 2HB PHE 101 125.783 -0.897 -1.517 162 2HB PHE 101 1HB PHE 101 125.068 -0.526 -3.082 163 HD1 PHE 101 HD1 PHE 101 125.793 -2.363 -4.343 164 HD2 PHE 101 HD2 PHE 101 128.616 -0.087 -2.117 165 HE1 PHE 101 HE1 PHE 101 127.631 -3.555 -5.461 166 HE2 PHE 101 HE2 PHE 101 130.460 -1.274 -3.233 167 HZ PHE 101 HZ PHE 101 129.968 -3.011 -4.909 168 H ARG 102 H ARG 102 124.402 1.663 -3.910 169 HA ARG 102 HA ARG 102 125.899 2.077 -6.233 170 1HB ARG 102 2HB ARG 102 123.294 3.470 -5.640 171 2HB ARG 102 1HB ARG 102 123.917 2.952 -7.200 172 1HG ARG 102 2HG ARG 102 123.741 0.578 -6.305 173 2HG ARG 102 1HG ARG 102 122.781 1.268 -4.994 174 1HD ARG 102 2HD ARG 102 121.171 2.133 -6.573 175 2HD ARG 102 1HD ARG 102 122.162 1.590 -7.927 176 HE ARG 102 HE ARG 102 121.627 -0.654 -6.405 177 1HH1 ARG 102 1HH1 ARG 102 119.791 1.714 -8.195 178 2HH1 ARG 102 2HH1 ARG 102 118.508 0.615 -8.576 179 1HH2 ARG 102 1HH2 ARG 102 119.942 -2.101 -6.905 180 2HH2 ARG 102 2HH2 ARG 102 118.594 -1.551 -7.844 181 H MET 103 H MET 103 124.860 4.325 -3.715 182 HA MET 103 HA MET 103 125.558 6.730 -4.916 183 1HB MET 103 2HB MET 103 125.594 5.872 -2.025 184 2HB MET 103 1HB MET 103 125.946 7.520 -2.523 185 1HG MET 103 2HG MET 103 123.552 6.813 -3.800 186 2HG MET 103 1HG MET 103 123.417 6.236 -2.139 187 1HE MET 103 1HE MET 103 124.752 9.081 -4.247 188 2HE MET 103 2HE MET 103 124.188 10.556 -3.461 189 3HE MET 103 3HE MET 103 123.057 9.553 -4.370 190 H PHE 104 H PHE 104 127.559 4.275 -3.463 191 HA PHE 104 HA PHE 104 129.923 5.902 -3.337 192 1HB PHE 104 2HB PHE 104 129.208 3.093 -2.735 193 2HB PHE 104 1HB PHE 104 130.882 3.377 -3.199 194 HD1 PHE 104 HD1 PHE 104 128.360 5.109 -1.055 195 HD2 PHE 104 HD2 PHE 104 132.308 3.567 -1.425 196 HE1 PHE 104 HE1 PHE 104 128.862 5.858 1.234 197 HE2 PHE 104 HE2 PHE 104 132.819 4.312 0.864 198 HZ PHE 104 HZ PHE 104 131.094 5.459 2.196 199 H ASP 105 H ASP 105 128.321 4.090 -5.769 200 HA ASP 105 HA ASP 105 130.694 3.716 -7.393 201 1HB ASP 105 2HB ASP 105 127.892 2.812 -7.464 202 2HB ASP 105 1HB ASP 105 128.591 3.145 -9.045 203 H LYS 106 H LYS 106 131.205 4.846 -9.239 204 HA LYS 106 HA LYS 106 129.785 7.393 -9.577 205 1HB LYS 106 2HB LYS 106 132.543 6.574 -10.509 206 2HB LYS 106 1HB LYS 106 131.825 8.165 -10.719 207 1HG LYS 106 2HG LYS 106 131.910 7.153 -7.954 208 2HG LYS 106 1HG LYS 106 133.468 7.517 -8.698 209 1HD LYS 106 2HD LYS 106 133.123 9.662 -8.213 210 2HD LYS 106 1HD LYS 106 131.795 9.660 -9.375 211 1HE LYS 106 2HE LYS 106 131.562 8.944 -6.454 212 2HE LYS 106 1HE LYS 106 131.114 10.496 -7.160 213 1HZ LYS 106 1HZ LYS 106 129.136 9.292 -7.013 214 2HZ LYS 106 2HZ LYS 106 129.840 7.861 -7.574 215 3HZ LYS 106 3HZ LYS 106 129.582 9.149 -8.639 216 H ASN 107 H ASN 107 131.010 4.609 -11.378 217 HA ASN 107 HA ASN 107 129.612 5.574 -13.773 218 1HB ASN 107 2HB ASN 107 130.926 3.822 -14.967 219 2HB ASN 107 1HB ASN 107 131.928 5.034 -14.177 220 1HD2 ASN 107 1HD2 ASN 107 132.104 2.034 -14.927 221 2HD2 ASN 107 2HD2 ASN 107 132.809 1.329 -13.516 222 H ALA 108 H ALA 108 128.652 3.973 -11.233 223 HA ALA 108 HA ALA 108 127.238 2.241 -10.748 224 1HB ALA 108 1HB ALA 108 125.364 2.074 -12.541 225 2HB ALA 108 2HB ALA 108 126.176 3.469 -13.254 226 3HB ALA 108 3HB ALA 108 125.550 3.559 -11.607 227 H ASP 109 H ASP 109 129.035 0.687 -11.031 228 HA ASP 109 HA ASP 109 128.532 -1.105 -13.317 229 1HB ASP 109 2HB ASP 109 130.886 -1.792 -13.193 230 2HB ASP 109 1HB ASP 109 130.743 -0.060 -13.475 231 H GLY 110 H GLY 110 128.235 -0.794 -10.007 232 1HA GLY 110 2HA GLY 110 127.252 -2.474 -8.661 233 2HA GLY 110 1HA GLY 110 127.915 -3.693 -9.739 234 H TYR 111 H TYR 111 130.478 -1.842 -9.430 235 HA TYR 111 HA TYR 111 131.310 -2.816 -6.794 236 1HB TYR 111 2HB TYR 111 133.007 -3.159 -9.274 237 2HB TYR 111 1HB TYR 111 133.365 -3.735 -7.650 238 HD1 TYR 111 HD1 TYR 111 130.999 -4.159 -10.483 239 HD2 TYR 111 HD2 TYR 111 132.663 -5.865 -6.957 240 HE1 TYR 111 HE1 TYR 111 129.912 -6.300 -11.012 241 HE2 TYR 111 HE2 TYR 111 131.582 -8.011 -7.479 242 HH TYR 111 HH TYR 111 129.644 -8.827 -8.784 243 H ILE 112 H ILE 112 133.101 -1.674 -5.887 244 HA ILE 112 HA ILE 112 133.459 0.995 -7.074 245 HB ILE 112 HB ILE 112 133.903 0.199 -4.196 246 1HG1 ILE 112 2HG1 ILE 112 131.610 1.881 -5.155 247 2HG1 ILE 112 1HG1 ILE 112 131.487 0.124 -5.196 248 1HG2 ILE 112 1HG2 ILE 112 133.577 2.961 -5.334 249 2HG2 ILE 112 2HG2 ILE 112 135.149 2.185 -5.148 250 3HG2 ILE 112 3HG2 ILE 112 134.148 2.500 -3.732 251 1HD1 ILE 112 1HD1 ILE 112 131.908 0.043 -2.793 252 2HD1 ILE 112 2HD1 ILE 112 130.497 1.029 -3.176 253 3HD1 ILE 112 3HD1 ILE 112 132.025 1.802 -2.756 254 H ASP 113 H ASP 113 135.421 1.663 -7.673 255 HA ASP 113 HA ASP 113 137.714 -0.068 -7.031 256 1HB ASP 113 2HB ASP 113 136.868 0.386 -9.489 257 2HB ASP 113 1HB ASP 113 137.773 1.885 -9.297 258 H LEU 114 H LEU 114 139.864 1.225 -7.233 259 HA LEU 114 HA LEU 114 139.932 3.086 -5.134 260 1HB LEU 114 2HB LEU 114 141.989 2.636 -7.298 261 2HB LEU 114 1HB LEU 114 142.268 3.450 -5.768 262 HG LEU 114 HG LEU 114 141.326 1.052 -4.899 263 1HD1 LEU 114 1HD1 LEU 114 142.437 0.671 -7.616 264 2HD1 LEU 114 2HD1 LEU 114 141.215 -0.256 -6.747 265 3HD1 LEU 114 3HD1 LEU 114 142.924 -0.483 -6.375 266 1HD2 LEU 114 1HD2 LEU 114 143.390 0.824 -3.991 267 2HD2 LEU 114 2HD2 LEU 114 143.555 2.485 -4.563 268 3HD2 LEU 114 3HD2 LEU 114 144.218 1.153 -5.512 269 H GLU 115 H GLU 115 139.770 3.506 -8.626 270 HA GLU 115 HA GLU 115 140.298 6.291 -8.639 271 1HB GLU 115 2HB GLU 115 139.804 4.272 -10.553 272 2HB GLU 115 1HB GLU 115 138.602 5.525 -10.830 273 1HG GLU 115 2HG GLU 115 141.327 6.517 -10.416 274 2HG GLU 115 1HG GLU 115 141.113 5.518 -11.851 275 H GLU 116 H GLU 116 137.418 4.393 -8.122 276 HA GLU 116 HA GLU 116 135.655 6.681 -8.367 277 1HB GLU 116 2HB GLU 116 135.259 3.771 -7.739 278 2HB GLU 116 1HB GLU 116 133.967 4.929 -7.453 279 1HG GLU 116 2HG GLU 116 133.547 4.025 -9.570 280 2HG GLU 116 1HG GLU 116 134.231 5.622 -9.867 281 H LEU 117 H LEU 117 136.790 4.526 -5.784 282 HA LEU 117 HA LEU 117 135.402 5.651 -3.656 283 1HB LEU 117 2HB LEU 117 136.851 3.545 -3.715 284 2HB LEU 117 1HB LEU 117 138.215 4.610 -3.432 285 HG LEU 117 HG LEU 117 137.032 5.400 -1.343 286 1HD1 LEU 117 1HD1 LEU 117 135.233 4.163 -0.453 287 2HD1 LEU 117 2HD1 LEU 117 135.379 2.915 -1.689 288 3HD1 LEU 117 3HD1 LEU 117 134.794 4.521 -2.124 289 1HD2 LEU 117 1HD2 LEU 117 138.297 2.798 -1.842 290 2HD2 LEU 117 2HD2 LEU 117 137.395 2.910 -0.331 291 3HD2 LEU 117 3HD2 LEU 117 138.697 4.051 -0.667 292 H LYS 118 H LYS 118 138.498 6.600 -5.081 293 HA LYS 118 HA LYS 118 139.239 8.518 -3.182 294 1HB LYS 118 2HB LYS 118 140.711 9.421 -4.894 295 2HB LYS 118 1HB LYS 118 140.752 7.663 -4.927 296 1HG LYS 118 2HG LYS 118 139.474 7.567 -6.900 297 2HG LYS 118 1HG LYS 118 139.005 9.262 -6.770 298 1HD LYS 118 2HD LYS 118 141.715 9.462 -6.821 299 2HD LYS 118 1HD LYS 118 141.455 8.052 -7.850 300 1HE LYS 118 2HE LYS 118 141.160 9.574 -9.474 301 2HE LYS 118 1HE LYS 118 139.546 9.736 -8.784 302 1HZ LYS 118 1HZ LYS 118 140.533 11.892 -9.063 303 2HZ LYS 118 2HZ LYS 118 141.899 11.441 -8.174 304 3HZ LYS 118 3HZ LYS 118 140.397 11.565 -7.407 305 H ILE 119 H ILE 119 137.037 8.687 -5.901 306 HA ILE 119 HA ILE 119 136.760 11.527 -5.891 307 HB ILE 119 HB ILE 119 134.802 9.497 -6.968 308 1HG1 ILE 119 2HG1 ILE 119 136.924 10.893 -8.580 309 2HG1 ILE 119 1HG1 ILE 119 137.260 9.368 -7.767 310 1HG2 ILE 119 1HG2 ILE 119 134.261 11.382 -8.539 311 2HG2 ILE 119 2HG2 ILE 119 135.236 12.426 -7.506 312 3HG2 ILE 119 3HG2 ILE 119 133.793 11.646 -6.860 313 1HD1 ILE 119 1HD1 ILE 119 135.170 8.511 -9.004 314 2HD1 ILE 119 2HD1 ILE 119 136.673 8.717 -9.903 315 3HD1 ILE 119 3HD1 ILE 119 135.396 9.928 -10.029 316 H MET 120 H MET 120 134.798 8.861 -4.594 317 HA MET 120 HA MET 120 132.673 10.311 -3.580 318 1HB MET 120 2HB MET 120 133.029 7.768 -3.651 319 2HB MET 120 1HB MET 120 133.868 7.965 -2.120 320 1HG MET 120 2HG MET 120 131.093 9.015 -2.509 321 2HG MET 120 1HG MET 120 131.386 7.328 -2.090 322 1HE MET 120 1HE MET 120 132.873 7.201 1.204 323 2HE MET 120 2HE MET 120 134.116 8.140 0.380 324 3HE MET 120 3HE MET 120 133.282 6.843 -0.474 325 H LEU 121 H LEU 121 135.910 9.950 -2.323 326 HA LEU 121 HA LEU 121 135.316 11.035 0.265 327 1HB LEU 121 2HB LEU 121 137.962 10.698 -1.151 328 2HB LEU 121 1HB LEU 121 137.763 11.110 0.541 329 HG LEU 121 HG LEU 121 136.470 8.607 -0.396 330 1HD1 LEU 121 1HD1 LEU 121 138.998 8.967 -1.239 331 2HD1 LEU 121 2HD1 LEU 121 138.336 7.401 -0.770 332 3HD1 LEU 121 3HD1 LEU 121 139.299 8.332 0.378 333 1HD2 LEU 121 1HD2 LEU 121 137.792 9.630 2.091 334 2HD2 LEU 121 2HD2 LEU 121 137.495 7.907 1.859 335 3HD2 LEU 121 3HD2 LEU 121 136.145 9.042 1.867 336 H GLN 122 H GLN 122 136.390 12.299 -2.818 337 HA GLN 122 HA GLN 122 137.187 14.857 -1.876 338 1HB GLN 122 2HB GLN 122 136.338 13.903 -4.613 339 2HB GLN 122 1HB GLN 122 136.953 15.518 -4.291 340 1HG GLN 122 2HG GLN 122 138.954 14.168 -3.232 341 2HG GLN 122 1HG GLN 122 138.376 12.914 -4.329 342 1HE2 GLN 122 1HE2 GLN 122 137.825 13.901 -6.590 343 2HE2 GLN 122 2HE2 GLN 122 139.077 14.880 -7.266 344 H ALA 123 H ALA 123 134.127 13.425 -2.625 345 HA ALA 123 HA ALA 123 132.632 15.756 -3.137 346 1HB ALA 123 1HB ALA 123 130.869 14.368 -3.290 347 2HB ALA 123 2HB ALA 123 131.228 13.572 -1.758 348 3HB ALA 123 3HB ALA 123 132.098 13.104 -3.220 349 H THR 124 H THR 124 133.687 14.235 -0.168 350 HA THR 124 HA THR 124 131.921 15.619 1.574 351 HB THR 124 HB THR 124 133.451 14.895 3.363 352 HG1 THR 124 HG1 THR 124 135.391 15.169 2.086 353 1HG2 THR 124 1HG2 THR 124 132.939 12.693 3.292 354 2HG2 THR 124 2HG2 THR 124 133.425 12.517 1.606 355 3HG2 THR 124 3HG2 THR 124 131.876 13.259 2.003 356 H GLY 125 H GLY 125 132.799 17.117 3.320 357 1HA GLY 125 2HA GLY 125 134.132 19.326 1.966 358 2HA GLY 125 1HA GLY 125 133.315 19.397 3.519 359 H GLU 126 H GLU 126 135.421 16.752 3.288 360 HA GLU 126 HA GLU 126 137.443 18.221 4.843 361 1HB GLU 126 2HB GLU 126 136.597 15.325 4.918 362 2HB GLU 126 1HB GLU 126 138.047 15.920 5.717 363 1HG GLU 126 2HG GLU 126 135.792 17.544 6.429 364 2HG GLU 126 1HG GLU 126 135.440 15.842 6.726 365 H THR 127 H THR 127 139.634 16.896 4.767 366 HA THR 127 HA THR 127 140.256 16.503 1.914 367 HB THR 127 HB THR 127 142.615 17.106 2.611 368 HG1 THR 127 HG1 THR 127 141.301 18.022 4.948 369 1HG2 THR 127 1HG2 THR 127 140.818 18.734 1.669 370 2HG2 THR 127 2HG2 THR 127 142.327 19.360 2.333 371 3HG2 THR 127 3HG2 THR 127 140.853 19.403 3.300 372 H ILE 128 H ILE 128 140.873 14.543 1.300 373 HA ILE 128 HA ILE 128 141.902 12.690 3.351 374 HB ILE 128 HB ILE 128 140.366 11.880 0.886 375 1HG1 ILE 128 2HG1 ILE 128 138.913 13.194 2.366 376 2HG1 ILE 128 1HG1 ILE 128 138.449 11.495 2.374 377 1HG2 ILE 128 1HG2 ILE 128 141.918 10.221 1.876 378 2HG2 ILE 128 2HG2 ILE 128 140.228 9.720 1.933 379 3HG2 ILE 128 3HG2 ILE 128 141.017 10.332 3.388 380 1HD1 ILE 128 1HD1 ILE 128 138.757 11.345 4.562 381 2HD1 ILE 128 2HD1 ILE 128 138.925 13.101 4.573 382 3HD1 ILE 128 3HD1 ILE 128 140.358 12.080 4.459 383 H THR 129 H THR 129 143.686 11.479 2.869 384 HA THR 129 HA THR 129 145.137 12.255 0.450 385 HB THR 129 HB THR 129 146.321 12.548 2.560 386 HG1 THR 129 HG1 THR 129 147.721 12.038 0.980 387 1HG2 THR 129 1HG2 THR 129 145.163 10.101 3.294 388 2HG2 THR 129 2HG2 THR 129 146.254 11.118 4.238 389 3HG2 THR 129 3HG2 THR 129 146.905 9.834 3.217 390 H GLU 130 H GLU 130 146.752 10.316 -0.179 391 HA GLU 130 HA GLU 130 145.116 8.375 -1.422 392 1HB GLU 130 2HB GLU 130 147.578 9.320 -1.932 393 2HB GLU 130 1HB GLU 130 148.016 7.824 -1.119 394 1HG GLU 130 2HG GLU 130 147.636 6.677 -2.966 395 2HG GLU 130 1HG GLU 130 145.970 7.254 -3.007 396 H ASP 131 H ASP 131 146.844 8.443 1.593 397 HA ASP 131 HA ASP 131 147.061 5.693 2.089 398 1HB ASP 131 2HB ASP 131 147.873 7.894 3.412 399 2HB ASP 131 1HB ASP 131 146.475 7.467 4.394 400 H ASP 132 H ASP 132 144.545 7.986 3.146 401 HA ASP 132 HA ASP 132 142.880 6.115 4.382 402 1HB ASP 132 2HB ASP 132 142.598 8.880 3.377 403 2HB ASP 132 1HB ASP 132 141.096 7.974 3.530 404 H ILE 133 H ILE 133 143.081 7.162 1.025 405 HA ILE 133 HA ILE 133 140.741 5.889 0.103 406 HB ILE 133 HB ILE 133 143.251 6.441 -1.483 407 1HG1 ILE 133 2HG1 ILE 133 140.863 8.253 -1.425 408 2HG1 ILE 133 1HG1 ILE 133 142.070 8.373 -0.149 409 1HG2 ILE 133 1HG2 ILE 133 140.438 5.745 -2.211 410 2HG2 ILE 133 2HG2 ILE 133 141.953 5.104 -2.847 411 3HG2 ILE 133 3HG2 ILE 133 141.419 6.722 -3.302 412 1HD1 ILE 133 1HD1 ILE 133 143.471 8.331 -2.587 413 2HD1 ILE 133 2HD1 ILE 133 143.270 9.677 -1.464 414 3HD1 ILE 133 3HD1 ILE 133 142.123 9.449 -2.785 415 H GLU 134 H GLU 134 144.138 4.833 0.121 416 HA GLU 134 HA GLU 134 143.586 2.287 -1.026 417 1HB GLU 134 2HB GLU 134 145.853 3.735 -0.624 418 2HB GLU 134 1HB GLU 134 145.995 2.541 0.658 419 1HG GLU 134 2HG GLU 134 145.546 0.802 -1.154 420 2HG GLU 134 1HG GLU 134 145.866 2.100 -2.302 421 H GLU 135 H GLU 135 143.680 3.537 2.231 422 HA GLU 135 HA GLU 135 143.752 1.008 3.544 423 1HB GLU 135 2HB GLU 135 143.273 3.833 4.357 424 2HB GLU 135 1HB GLU 135 142.714 2.567 5.441 425 1HG GLU 135 2HG GLU 135 145.505 2.476 4.405 426 2HG GLU 135 1HG GLU 135 145.094 3.587 5.711 427 H LEU 136 H LEU 136 141.157 3.272 2.701 428 HA LEU 136 HA LEU 136 139.046 1.895 3.919 429 1HB LEU 136 2HB LEU 136 139.369 4.138 2.188 430 2HB LEU 136 1HB LEU 136 138.106 3.120 1.525 431 HG LEU 136 HG LEU 136 138.020 3.842 4.424 432 1HD1 LEU 136 1HD1 LEU 136 138.322 5.846 2.658 433 2HD1 LEU 136 2HD1 LEU 136 137.337 5.968 4.117 434 3HD1 LEU 136 3HD1 LEU 136 136.575 5.616 2.565 435 1HD2 LEU 136 1HD2 LEU 136 135.608 3.680 4.026 436 2HD2 LEU 136 2HD2 LEU 136 136.446 2.198 3.568 437 3HD2 LEU 136 3HD2 LEU 136 135.916 3.332 2.324 438 H MET 137 H MET 137 140.696 1.376 0.888 439 HA MET 137 HA MET 137 138.725 -0.393 -0.204 440 1HB MET 137 2HB MET 137 141.224 0.781 -1.050 441 2HB MET 137 1HB MET 137 141.192 -0.933 -1.433 442 1HG MET 137 2HG MET 137 139.005 0.987 -2.182 443 2HG MET 137 1HG MET 137 140.357 0.575 -3.235 444 1HE MET 137 1HE MET 137 137.385 0.237 -4.212 445 2HE MET 137 2HE MET 137 136.813 -0.044 -2.569 446 3HE MET 137 3HE MET 137 136.579 -1.278 -3.805 447 H LYS 138 H LYS 138 141.866 -0.825 1.390 448 HA LYS 138 HA LYS 138 141.884 -3.648 1.236 449 1HB LYS 138 2HB LYS 138 143.725 -1.793 1.923 450 2HB LYS 138 1HB LYS 138 143.268 -2.373 3.518 451 1HG LYS 138 2HG LYS 138 144.051 -4.248 1.313 452 2HG LYS 138 1HG LYS 138 145.240 -3.500 2.381 453 1HD LYS 138 2HD LYS 138 143.758 -4.410 4.291 454 2HD LYS 138 1HD LYS 138 143.066 -5.454 3.048 455 1HE LYS 138 2HE LYS 138 144.927 -6.721 2.890 456 2HE LYS 138 1HE LYS 138 146.009 -5.350 3.133 457 1HZ LYS 138 1HZ LYS 138 144.914 -5.547 5.546 458 2HZ LYS 138 2HZ LYS 138 146.338 -6.347 5.104 459 3HZ LYS 138 3HZ LYS 138 144.862 -7.173 5.079 460 H ASP 139 H ASP 139 140.385 -1.401 3.420 461 HA ASP 139 HA ASP 139 139.910 -3.319 5.502 462 1HB ASP 139 2HB ASP 139 140.044 -0.720 5.664 463 2HB ASP 139 1HB ASP 139 138.348 -0.775 5.197 464 H GLY 140 H GLY 140 138.521 -2.819 2.482 465 1HA GLY 140 2HA GLY 140 136.038 -4.154 3.368 466 2HA GLY 140 1HA GLY 140 136.062 -2.956 2.084 467 H ASP 141 H ASP 141 138.679 -4.109 1.112 468 HA ASP 141 HA ASP 141 137.528 -5.943 -0.753 469 1HB ASP 141 2HB ASP 141 139.556 -4.255 -0.990 470 2HB ASP 141 1HB ASP 141 140.488 -5.656 -0.476 471 H LYS 142 H LYS 142 136.816 -7.746 0.356 472 HA LYS 142 HA LYS 142 138.554 -9.216 2.112 473 1HB LYS 142 2HB LYS 142 135.971 -10.198 0.903 474 2HB LYS 142 1HB LYS 142 136.737 -10.733 2.393 475 1HG LYS 142 2HG LYS 142 135.539 -8.010 1.920 476 2HG LYS 142 1HG LYS 142 134.786 -9.328 2.820 477 1HD LYS 142 2HD LYS 142 137.509 -8.556 3.668 478 2HD LYS 142 1HD LYS 142 136.232 -7.377 3.976 479 1HE LYS 142 2HE LYS 142 135.528 -10.134 4.678 480 2HE LYS 142 1HE LYS 142 136.872 -9.472 5.606 481 1HZ LYS 142 1HZ LYS 142 135.140 -7.445 5.690 482 2HZ LYS 142 2HZ LYS 142 135.226 -8.653 6.869 483 3HZ LYS 142 3HZ LYS 142 134.066 -8.752 5.644 484 H ASN 143 H ASN 143 137.457 -9.475 -1.221 485 HA ASN 143 HA ASN 143 138.899 -11.968 -1.610 486 1HB ASN 143 2HB ASN 143 138.033 -11.739 -3.975 487 2HB ASN 143 1HB ASN 143 136.798 -11.871 -2.727 488 1HD2 ASN 143 1HD2 ASN 143 135.977 -10.921 -5.041 489 2HD2 ASN 143 2HD2 ASN 143 135.718 -9.215 -4.982 490 H ASN 144 H ASN 144 139.713 -8.749 -1.588 491 HA ASN 144 HA ASN 144 141.413 -7.502 -2.442 492 1HB ASN 144 2HB ASN 144 142.456 -10.168 -1.862 493 2HB ASN 144 1HB ASN 144 143.420 -9.304 -3.055 494 1HD2 ASN 144 1HD2 ASN 144 143.650 -6.864 -2.382 495 2HD2 ASN 144 2HD2 ASN 144 144.204 -6.631 -0.763 496 H ASP 145 H ASP 145 139.454 -8.462 -4.380 497 HA ASP 145 HA ASP 145 140.948 -9.107 -6.768 498 1HB ASP 145 2HB ASP 145 138.757 -9.071 -7.883 499 2HB ASP 145 1HB ASP 145 138.724 -10.068 -6.431 500 H GLY 146 H GLY 146 140.628 -6.308 -5.115 501 1HA GLY 146 2HA GLY 146 141.489 -4.251 -5.901 502 2HA GLY 146 1HA GLY 146 141.091 -4.739 -7.540 503 H ARG 147 H ARG 147 138.365 -5.563 -6.169 504 HA ARG 147 HA ARG 147 137.228 -2.878 -5.911 505 1HB ARG 147 2HB ARG 147 136.094 -4.988 -7.757 506 2HB ARG 147 1HB ARG 147 135.409 -3.398 -7.450 507 1HG ARG 147 2HG ARG 147 137.929 -2.761 -8.260 508 2HG ARG 147 1HG ARG 147 137.590 -4.199 -9.224 509 1HD ARG 147 2HD ARG 147 135.275 -2.916 -9.563 510 2HD ARG 147 1HD ARG 147 136.320 -1.524 -9.281 511 HE ARG 147 HE ARG 147 137.600 -3.105 -11.155 512 1HH1 ARG 147 1HH1 ARG 147 134.598 -1.343 -10.913 513 2HH1 ARG 147 2HH1 ARG 147 134.502 -1.026 -12.613 514 1HH2 ARG 147 1HH2 ARG 147 137.477 -2.690 -13.390 515 2HH2 ARG 147 2HH2 ARG 147 136.135 -1.791 -14.019 516 H ILE 148 H ILE 148 135.237 -2.792 -4.790 517 HA ILE 148 HA ILE 148 134.710 -5.200 -3.180 518 HB ILE 148 HB ILE 148 134.017 -2.341 -2.490 519 1HG1 ILE 148 2HG1 ILE 148 136.162 -3.945 -1.134 520 2HG1 ILE 148 1HG1 ILE 148 136.526 -3.072 -2.620 521 1HG2 ILE 148 1HG2 ILE 148 134.033 -4.805 -0.756 522 2HG2 ILE 148 2HG2 ILE 148 132.590 -4.091 -1.475 523 3HG2 ILE 148 3HG2 ILE 148 133.526 -3.182 -0.289 524 1HD1 ILE 148 1HD1 ILE 148 135.757 -1.998 0.059 525 2HD1 ILE 148 2HD1 ILE 148 135.526 -1.037 -1.402 526 3HD1 ILE 148 3HD1 ILE 148 137.141 -1.591 -0.957 527 H ASP 149 H ASP 149 132.761 -6.129 -3.208 528 HA ASP 149 HA ASP 149 130.680 -4.876 -4.859 529 1HB ASP 149 2HB ASP 149 129.709 -7.157 -5.013 530 2HB ASP 149 1HB ASP 149 131.349 -7.070 -5.645 531 H TYR 150 H TYR 150 128.389 -5.813 -4.118 532 HA TYR 150 HA TYR 150 127.856 -4.545 -1.632 533 1HB TYR 150 2HB TYR 150 126.223 -4.530 -3.448 534 2HB TYR 150 1HB TYR 150 126.080 -6.282 -3.358 535 HD1 TYR 150 HD1 TYR 150 124.296 -7.156 -2.183 536 HD2 TYR 150 HD2 TYR 150 125.725 -3.284 -1.146 537 HE1 TYR 150 HE1 TYR 150 122.466 -6.923 -0.555 538 HE2 TYR 150 HE2 TYR 150 123.900 -3.044 0.486 539 HH TYR 150 HH TYR 150 121.222 -4.715 0.511 540 H ASP 151 H ASP 151 128.703 -7.768 -2.456 541 HA ASP 151 HA ASP 151 127.460 -9.049 -0.226 542 1HB ASP 151 2HB ASP 151 129.867 -10.085 -1.719 543 2HB ASP 151 1HB ASP 151 128.625 -11.010 -0.883 544 H GLU 152 H GLU 152 130.865 -8.269 -0.935 545 HA GLU 152 HA GLU 152 131.746 -8.873 1.696 546 1HB GLU 152 2HB GLU 152 133.846 -7.632 0.931 547 2HB GLU 152 1HB GLU 152 133.389 -9.076 0.039 548 1HG GLU 152 2HG GLU 152 132.504 -7.773 -1.752 549 2HG GLU 152 1HG GLU 152 132.709 -6.282 -0.835 550 H PHE 153 H PHE 153 130.808 -5.864 0.086 551 HA PHE 153 HA PHE 153 131.731 -4.126 2.112 552 1HB PHE 153 2HB PHE 153 130.665 -3.749 -0.361 553 2HB PHE 153 1HB PHE 153 129.310 -3.277 0.656 554 HD1 PHE 153 HD1 PHE 153 131.843 -1.956 -1.138 555 HD2 PHE 153 HD2 PHE 153 130.326 -1.851 2.837 556 HE1 PHE 153 HE1 PHE 153 132.880 0.249 -0.804 557 HE2 PHE 153 HE2 PHE 153 131.361 0.354 3.177 558 HZ PHE 153 HZ PHE 153 132.640 1.408 1.355 559 H LEU 154 H LEU 154 128.851 -6.061 1.797 560 HA LEU 154 HA LEU 154 127.110 -4.826 3.549 561 1HB LEU 154 2HB LEU 154 126.950 -7.055 2.144 562 2HB LEU 154 1HB LEU 154 127.410 -7.793 3.666 563 HG LEU 154 HG LEU 154 125.017 -7.854 3.466 564 1HD1 LEU 154 1HD1 LEU 154 126.250 -7.116 5.659 565 2HD1 LEU 154 2HD1 LEU 154 124.489 -7.100 5.563 566 3HD1 LEU 154 3HD1 LEU 154 125.395 -5.600 5.373 567 1HD2 LEU 154 1HD2 LEU 154 124.723 -6.047 1.867 568 2HD2 LEU 154 2HD2 LEU 154 125.165 -4.864 3.096 569 3HD2 LEU 154 3HD2 LEU 154 123.684 -5.806 3.270 570 H GLU 155 H GLU 155 129.973 -6.710 4.225 571 HA GLU 155 HA GLU 155 129.463 -6.827 7.069 572 1HB GLU 155 2HB GLU 155 131.698 -7.742 5.283 573 2HB GLU 155 1HB GLU 155 131.908 -7.706 7.029 574 1HG GLU 155 2HG GLU 155 129.445 -9.016 6.181 575 2HG GLU 155 1HG GLU 155 130.909 -9.795 5.579 576 H PHE 156 H PHE 156 131.179 -4.808 4.823 577 HA PHE 156 HA PHE 156 133.065 -3.572 6.410 578 1HB PHE 156 2HB PHE 156 132.361 -3.234 3.883 579 2HB PHE 156 1HB PHE 156 131.439 -1.890 4.548 580 HD1 PHE 156 HD1 PHE 156 132.900 -0.442 6.303 581 HD2 PHE 156 HD2 PHE 156 134.428 -2.726 3.057 582 HE1 PHE 156 HE1 PHE 156 134.916 0.964 6.273 583 HE2 PHE 156 HE2 PHE 156 136.453 -1.321 3.022 584 HZ PHE 156 HZ PHE 156 136.697 0.523 4.630 585 H MET 157 H MET 157 129.601 -3.159 6.389 586 HA MET 157 HA MET 157 129.637 -0.795 8.030 587 1HB MET 157 2HB MET 157 127.588 -2.496 6.755 588 2HB MET 157 1HB MET 157 127.097 -1.749 8.269 589 1HG MET 157 2HG MET 157 126.427 -0.282 6.564 590 2HG MET 157 1HG MET 157 127.854 0.446 7.300 591 1HE MET 157 1HE MET 157 130.595 -0.122 5.648 592 2HE MET 157 2HE MET 157 129.638 1.164 6.384 593 3HE MET 157 3HE MET 157 130.050 1.243 4.671 594 H LYS 158 H LYS 158 128.057 -3.912 8.666 595 HA LYS 158 HA LYS 158 128.067 -3.622 11.455 596 1HB LYS 158 2HB LYS 158 127.626 -6.115 11.457 597 2HB LYS 158 1HB LYS 158 126.510 -5.139 10.512 598 1HG LYS 158 2HG LYS 158 127.424 -5.857 8.479 599 2HG LYS 158 1HG LYS 158 128.875 -6.490 9.259 600 1HD LYS 158 2HD LYS 158 127.907 -8.462 9.681 601 2HD LYS 158 1HD LYS 158 126.434 -7.700 10.285 602 1HE LYS 158 2HE LYS 158 125.643 -8.810 8.431 603 2HE LYS 158 1HE LYS 158 125.989 -7.218 7.761 604 1HZ LYS 158 1HZ LYS 158 128.101 -9.248 7.688 605 2HZ LYS 158 2HZ LYS 158 127.780 -7.989 6.606 606 3HZ LYS 158 3HZ LYS 158 126.823 -9.384 6.587 607 H GLY 159 H GLY 159 130.384 -2.874 11.530 608 1HA GLY 159 2HA GLY 159 132.156 -3.752 13.008 609 2HA GLY 159 1HA GLY 159 132.155 -5.194 12.003 610 H VAL 160 H VAL 160 133.068 -1.826 12.204 611 HA VAL 160 HA VAL 160 134.504 -1.990 9.663 612 HB VAL 160 HB VAL 160 134.423 0.431 11.446 613 1HG1 VAL 160 1HG1 VAL 160 135.177 -0.181 8.653 614 2HG1 VAL 160 2HG1 VAL 160 135.871 0.974 9.790 615 3HG1 VAL 160 3HG1 VAL 160 134.374 1.362 8.942 616 1HG2 VAL 160 1HG2 VAL 160 132.398 -0.144 9.293 617 2HG2 VAL 160 2HG2 VAL 160 132.411 1.189 10.446 618 3HG2 VAL 160 3HG2 VAL 160 132.098 -0.455 11.002 619 H GLU 161 H GLU 161 135.512 -3.633 11.686 620 HA GLU 161 HA GLU 161 138.136 -2.389 12.105 621 1HB GLU 161 2HB GLU 161 138.197 -3.651 14.338 622 2HB GLU 161 1HB GLU 161 137.242 -2.176 14.263 623 1HG GLU 161 2HG GLU 161 135.742 -4.596 13.608 624 2HG GLU 161 1HG GLU 161 136.386 -4.564 15.248 Start of MODEL 5 1 1H MET 81 1HT MET 81 96.391 -16.063 7.856 2 2H MET 81 2HT MET 81 96.038 -14.780 8.941 3 3H MET 81 3HT MET 81 96.001 -14.509 7.247 4 HA MET 81 HA MET 81 94.200 -16.112 7.070 5 1HB MET 81 2HB MET 81 95.046 -16.803 9.604 6 2HB MET 81 1HB MET 81 93.565 -15.909 9.924 7 1HG MET 81 2HG MET 81 92.247 -17.499 9.033 8 2HG MET 81 1HG MET 81 93.413 -17.915 7.776 9 1HE MET 81 1HE MET 81 92.579 -20.632 8.338 10 2HE MET 81 2HE MET 81 91.508 -19.797 9.462 11 3HE MET 81 3HE MET 81 92.494 -21.148 10.022 12 H VAL 82 H VAL 82 92.660 -14.841 6.290 13 HA VAL 82 HA VAL 82 91.090 -13.203 6.095 14 HB VAL 82 HB VAL 82 91.574 -12.582 9.011 15 1HG1 VAL 82 1HG1 VAL 82 89.595 -11.730 6.983 16 2HG1 VAL 82 2HG1 VAL 82 90.254 -10.854 8.365 17 3HG1 VAL 82 3HG1 VAL 82 88.986 -12.057 8.605 18 1HG2 VAL 82 1HG2 VAL 82 89.237 -14.201 8.293 19 2HG2 VAL 82 2HG2 VAL 82 90.349 -14.351 9.652 20 3HG2 VAL 82 3HG2 VAL 82 90.787 -15.014 8.078 21 H ARG 83 H ARG 83 93.407 -11.878 8.465 22 HA ARG 83 HA ARG 83 93.693 -9.524 6.742 23 1HB ARG 83 2HB ARG 83 94.836 -8.545 8.807 24 2HB ARG 83 1HB ARG 83 93.104 -8.819 8.899 25 1HG ARG 83 2HG ARG 83 94.313 -11.174 9.836 26 2HG ARG 83 1HG ARG 83 95.200 -9.837 10.564 27 1HD ARG 83 2HD ARG 83 92.659 -8.978 10.881 28 2HD ARG 83 1HD ARG 83 92.420 -10.722 10.974 29 HE ARG 83 HE ARG 83 94.567 -9.748 12.623 30 1HH1 ARG 83 1HH1 ARG 83 91.135 -10.356 12.451 31 2HH1 ARG 83 2HH1 ARG 83 90.945 -10.483 14.167 32 1HH2 ARG 83 1HH2 ARG 83 94.320 -9.916 14.880 33 2HH2 ARG 83 2HH2 ARG 83 92.753 -10.234 15.547 34 H CYS 84 H CYS 84 95.748 -11.656 8.739 35 HA CYS 84 HA CYS 84 97.906 -12.330 8.513 36 1HB CYS 84 2HB CYS 84 96.798 -12.861 6.157 37 2HB CYS 84 1HB CYS 84 97.940 -11.638 5.613 38 HG CYS 84 HG CYS 84 99.880 -13.159 6.259 39 H MET 85 H MET 85 99.440 -11.119 9.393 40 HA MET 85 HA MET 85 99.871 -8.393 8.477 41 1HB MET 85 2HB MET 85 99.985 -9.610 10.962 42 2HB MET 85 1HB MET 85 101.679 -9.374 10.550 43 1HG MET 85 2HG MET 85 101.231 -6.993 10.150 44 2HG MET 85 1HG MET 85 99.552 -7.246 10.625 45 1HE MET 85 1HE MET 85 99.941 -5.204 12.702 46 2HE MET 85 2HE MET 85 99.632 -6.232 14.101 47 3HE MET 85 3HE MET 85 98.775 -6.523 12.586 48 H LYS 86 H LYS 86 101.631 -7.673 7.393 49 HA LYS 86 HA LYS 86 103.771 -9.616 6.826 50 1HB LYS 86 2HB LYS 86 102.011 -9.055 4.950 51 2HB LYS 86 1HB LYS 86 102.972 -7.594 4.772 52 1HG LYS 86 2HG LYS 86 104.604 -8.670 3.710 53 2HG LYS 86 1HG LYS 86 104.599 -10.000 4.868 54 1HD LYS 86 2HD LYS 86 103.321 -11.289 3.551 55 2HD LYS 86 1HD LYS 86 102.249 -9.953 3.132 56 1HE LYS 86 2HE LYS 86 104.192 -9.139 1.654 57 2HE LYS 86 1HE LYS 86 104.834 -10.770 1.849 58 1HZ LYS 86 1HZ LYS 86 102.092 -10.224 0.864 59 2HZ LYS 86 2HZ LYS 86 102.938 -11.686 0.811 60 3HZ LYS 86 3HZ LYS 86 103.424 -10.395 -0.167 61 H ASP 87 H ASP 87 103.099 -6.174 6.156 62 HA ASP 87 HA ASP 87 105.838 -5.455 6.595 63 1HB ASP 87 2HB ASP 87 104.268 -4.305 4.986 64 2HB ASP 87 1HB ASP 87 103.467 -3.593 6.382 65 H ASP 88 H ASP 88 106.776 -5.034 8.475 66 HA ASP 88 HA ASP 88 105.135 -4.008 10.688 67 1HB ASP 88 2HB ASP 88 106.797 -6.457 10.603 68 2HB ASP 88 1HB ASP 88 106.957 -5.468 12.051 69 H SER 89 H SER 89 106.196 -2.643 12.150 70 HA SER 89 HA SER 89 108.254 -1.045 11.042 71 1HB SER 89 2HB SER 89 107.109 -1.148 13.841 72 2HB SER 89 1HB SER 89 108.240 0.083 13.278 73 HG SER 89 HG SER 89 105.857 0.512 13.159 74 H LYS 90 H LYS 90 110.176 -2.032 10.701 75 HA LYS 90 HA LYS 90 111.453 -3.362 12.997 76 1HB LYS 90 2HB LYS 90 111.316 -3.999 10.148 77 2HB LYS 90 1HB LYS 90 112.959 -4.024 10.772 78 1HG LYS 90 2HG LYS 90 112.306 -5.612 12.491 79 2HG LYS 90 1HG LYS 90 110.638 -5.562 11.917 80 1HD LYS 90 2HD LYS 90 112.116 -6.132 9.641 81 2HD LYS 90 1HD LYS 90 112.908 -7.068 10.910 82 1HE LYS 90 2HE LYS 90 111.320 -8.596 10.536 83 2HE LYS 90 1HE LYS 90 110.251 -7.507 11.418 84 1HZ LYS 90 1HZ LYS 90 110.328 -8.134 8.599 85 2HZ LYS 90 2HZ LYS 90 110.158 -6.486 8.939 86 3HZ LYS 90 3HZ LYS 90 109.040 -7.596 9.554 87 H GLY 91 H GLY 91 114.055 -3.355 12.261 88 1HA GLY 91 2HA GLY 91 114.708 -0.492 12.410 89 2HA GLY 91 1HA GLY 91 115.735 -1.804 12.966 90 H LYS 92 H LYS 92 117.525 -1.879 11.789 91 HA LYS 92 HA LYS 92 117.593 -0.910 9.080 92 1HB LYS 92 2HB LYS 92 120.006 -1.691 9.204 93 2HB LYS 92 1HB LYS 92 119.532 -0.445 10.351 94 1HG LYS 92 2HG LYS 92 119.197 -3.158 11.374 95 2HG LYS 92 1HG LYS 92 120.864 -2.750 10.961 96 1HD LYS 92 2HD LYS 92 119.089 -1.032 12.692 97 2HD LYS 92 1HD LYS 92 120.214 -2.236 13.325 98 1HE LYS 92 2HE LYS 92 121.598 -0.446 13.410 99 2HE LYS 92 1HE LYS 92 121.882 -0.888 11.727 100 1HZ LYS 92 1HZ LYS 92 120.830 0.935 10.984 101 2HZ LYS 92 2HZ LYS 92 121.158 1.550 12.525 102 3HZ LYS 92 3HZ LYS 92 119.638 0.889 12.186 103 H THR 93 H THR 93 117.623 -2.059 7.229 104 HA THR 93 HA THR 93 117.399 -4.986 7.475 105 HB THR 93 HB THR 93 116.221 -4.760 5.198 106 HG1 THR 93 HG1 THR 93 115.962 -2.092 6.120 107 1HG2 THR 93 1HG2 THR 93 114.946 -3.701 7.703 108 2HG2 THR 93 2HG2 THR 93 114.902 -5.351 7.080 109 3HG2 THR 93 3HG2 THR 93 114.062 -4.059 6.221 110 H GLU 94 H GLU 94 117.903 -6.044 5.226 111 HA GLU 94 HA GLU 94 120.664 -5.416 4.656 112 1HB GLU 94 2HB GLU 94 118.877 -7.678 4.351 113 2HB GLU 94 1HB GLU 94 119.833 -7.412 2.900 114 1HG GLU 94 2HG GLU 94 121.812 -7.883 3.943 115 2HG GLU 94 1HG GLU 94 121.216 -7.397 5.530 116 H GLU 95 H GLU 95 117.881 -4.137 3.553 117 HA GLU 95 HA GLU 95 118.705 -3.949 0.753 118 1HB GLU 95 2HB GLU 95 116.214 -4.200 1.938 119 2HB GLU 95 1HB GLU 95 116.280 -2.500 1.496 120 1HG GLU 95 2HG GLU 95 117.258 -3.984 -0.701 121 2HG GLU 95 1HG GLU 95 115.775 -4.762 -0.150 122 H GLU 96 H GLU 96 118.413 -2.048 3.663 123 HA GLU 96 HA GLU 96 118.518 0.529 2.595 124 1HB GLU 96 2HB GLU 96 119.814 -0.398 5.164 125 2HB GLU 96 1HB GLU 96 119.329 1.244 4.766 126 1HG GLU 96 2HG GLU 96 117.531 -1.119 5.237 127 2HG GLU 96 1HG GLU 96 117.727 0.301 6.265 128 H LEU 97 H LEU 97 121.035 -1.843 3.114 129 HA LEU 97 HA LEU 97 123.259 -0.139 2.813 130 1HB LEU 97 2HB LEU 97 122.801 -3.079 2.574 131 2HB LEU 97 1HB LEU 97 124.316 -2.412 1.998 132 HG LEU 97 HG LEU 97 123.487 -1.626 4.732 133 1HD1 LEU 97 1HD1 LEU 97 123.127 -4.219 4.216 134 2HD1 LEU 97 2HD1 LEU 97 123.748 -3.626 5.756 135 3HD1 LEU 97 3HD1 LEU 97 124.862 -4.234 4.533 136 1HD2 LEU 97 1HD2 LEU 97 125.908 -1.930 5.120 137 2HD2 LEU 97 2HD2 LEU 97 125.559 -0.800 3.813 138 3HD2 LEU 97 3HD2 LEU 97 126.087 -2.441 3.442 139 H SER 98 H SER 98 121.094 -1.596 0.512 140 HA SER 98 HA SER 98 122.746 -1.427 -1.774 141 1HB SER 98 2HB SER 98 120.028 -2.149 -1.184 142 2HB SER 98 1HB SER 98 120.054 -1.073 -2.580 143 HG SER 98 HG SER 98 121.785 -2.529 -3.369 144 H ASP 99 H ASP 99 120.221 0.753 -0.532 145 HA ASP 99 HA ASP 99 120.493 2.728 -2.505 146 1HB ASP 99 2HB ASP 99 118.675 2.413 -0.664 147 2HB ASP 99 1HB ASP 99 119.746 3.403 0.325 148 H LEU 100 H LEU 100 122.348 2.033 0.352 149 HA LEU 100 HA LEU 100 123.743 4.575 0.287 150 1HB LEU 100 2HB LEU 100 123.964 2.124 2.017 151 2HB LEU 100 1HB LEU 100 125.125 3.433 2.116 152 HG LEU 100 HG LEU 100 122.205 4.020 2.416 153 1HD1 LEU 100 1HD1 LEU 100 123.928 2.529 4.296 154 2HD1 LEU 100 2HD1 LEU 100 122.176 2.511 4.099 155 3HD1 LEU 100 3HD1 LEU 100 122.950 3.830 4.977 156 1HD2 LEU 100 1HD2 LEU 100 123.561 5.947 2.259 157 2HD2 LEU 100 2HD2 LEU 100 124.778 5.270 3.341 158 3HD2 LEU 100 3HD2 LEU 100 123.204 5.747 3.974 159 H PHE 101 H PHE 101 124.217 1.277 -0.758 160 HA PHE 101 HA PHE 101 127.002 1.364 -1.169 161 1HB PHE 101 2HB PHE 101 125.716 -0.736 -1.143 162 2HB PHE 101 1HB PHE 101 124.923 -0.268 -2.644 163 HD1 PHE 101 HD1 PHE 101 126.424 0.127 -4.685 164 HD2 PHE 101 HD2 PHE 101 127.700 -1.932 -1.186 165 HE1 PHE 101 HE1 PHE 101 128.238 -0.927 -5.971 166 HE2 PHE 101 HE2 PHE 101 129.516 -2.990 -2.465 167 HZ PHE 101 HZ PHE 101 129.787 -2.487 -4.860 168 H ARG 102 H ARG 102 124.274 2.140 -3.301 169 HA ARG 102 HA ARG 102 125.684 2.575 -5.658 170 1HB ARG 102 2HB ARG 102 123.135 3.740 -4.569 171 2HB ARG 102 1HB ARG 102 123.763 4.235 -6.133 172 1HG ARG 102 2HG ARG 102 123.548 2.045 -7.013 173 2HG ARG 102 1HG ARG 102 123.224 1.367 -5.417 174 1HD ARG 102 2HD ARG 102 121.189 2.934 -5.392 175 2HD ARG 102 1HD ARG 102 121.456 3.087 -7.126 176 HE ARG 102 HE ARG 102 121.416 0.380 -6.588 177 1HH1 ARG 102 1HH1 ARG 102 119.219 3.072 -6.270 178 2HH1 ARG 102 2HH1 ARG 102 117.799 2.102 -6.476 179 1HH2 ARG 102 1HH2 ARG 102 119.550 -0.900 -6.860 180 2HH2 ARG 102 2HH2 ARG 102 117.989 -0.154 -6.811 181 H MET 103 H MET 103 125.166 4.696 -2.898 182 HA MET 103 HA MET 103 126.031 7.109 -3.979 183 1HB MET 103 2HB MET 103 126.330 6.035 -1.172 184 2HB MET 103 1HB MET 103 126.654 7.703 -1.626 185 1HG MET 103 2HG MET 103 124.294 7.852 -2.432 186 2HG MET 103 1HG MET 103 124.021 6.260 -1.729 187 1HE MET 103 1HE MET 103 123.143 9.391 -1.549 188 2HE MET 103 2HE MET 103 124.329 10.254 -0.570 189 3HE MET 103 3HE MET 103 122.785 9.771 0.136 190 H PHE 104 H PHE 104 127.839 4.306 -3.011 191 HA PHE 104 HA PHE 104 130.381 5.705 -3.099 192 1HB PHE 104 2HB PHE 104 129.512 2.928 -2.400 193 2HB PHE 104 1HB PHE 104 131.198 3.225 -2.810 194 HD1 PHE 104 HD1 PHE 104 128.622 5.023 -0.788 195 HD2 PHE 104 HD2 PHE 104 132.533 3.352 -0.959 196 HE1 PHE 104 HE1 PHE 104 129.043 5.782 1.514 197 HE2 PHE 104 HE2 PHE 104 132.961 4.107 1.344 198 HZ PHE 104 HZ PHE 104 131.214 5.325 2.583 199 H ASP 105 H ASP 105 128.313 4.254 -5.331 200 HA ASP 105 HA ASP 105 130.515 3.578 -7.148 201 1HB ASP 105 2HB ASP 105 128.268 2.146 -6.565 202 2HB ASP 105 1HB ASP 105 127.752 3.012 -8.011 203 H LYS 106 H LYS 106 130.858 4.678 -9.006 204 HA LYS 106 HA LYS 106 129.042 6.927 -9.578 205 1HB LYS 106 2HB LYS 106 132.019 6.730 -10.075 206 2HB LYS 106 1HB LYS 106 131.003 8.096 -10.513 207 1HG LYS 106 2HG LYS 106 131.072 7.192 -7.675 208 2HG LYS 106 1HG LYS 106 132.420 8.131 -8.320 209 1HD LYS 106 2HD LYS 106 131.195 10.028 -8.477 210 2HD LYS 106 1HD LYS 106 129.722 9.164 -8.921 211 1HE LYS 106 2HE LYS 106 130.797 8.911 -6.147 212 2HE LYS 106 1HE LYS 106 129.913 10.368 -6.604 213 1HZ LYS 106 1HZ LYS 106 128.704 7.794 -7.273 214 2HZ LYS 106 2HZ LYS 106 127.969 9.242 -6.796 215 3HZ LYS 106 3HZ LYS 106 128.708 8.246 -5.643 216 H ASN 107 H ASN 107 131.107 4.432 -10.990 217 HA ASN 107 HA ASN 107 130.274 5.035 -13.681 218 1HB ASN 107 2HB ASN 107 131.711 2.550 -12.756 219 2HB ASN 107 1HB ASN 107 131.717 3.268 -14.363 220 1HD2 ASN 107 1HD2 ASN 107 132.858 5.229 -14.685 221 2HD2 ASN 107 2HD2 ASN 107 134.158 5.675 -13.639 222 H ALA 108 H ALA 108 128.658 3.625 -11.205 223 HA ALA 108 HA ALA 108 126.929 2.151 -11.006 224 1HB ALA 108 1HB ALA 108 125.432 2.110 -13.107 225 2HB ALA 108 2HB ALA 108 126.558 3.310 -13.742 226 3HB ALA 108 3HB ALA 108 125.662 3.641 -12.261 227 H ASP 109 H ASP 109 128.988 0.621 -11.127 228 HA ASP 109 HA ASP 109 128.405 -1.413 -13.179 229 1HB ASP 109 2HB ASP 109 130.762 -2.085 -13.072 230 2HB ASP 109 1HB ASP 109 130.602 -0.396 -13.543 231 H GLY 110 H GLY 110 128.268 -0.729 -9.906 232 1HA GLY 110 2HA GLY 110 127.389 -2.201 -8.297 233 2HA GLY 110 1HA GLY 110 127.870 -3.557 -9.305 234 H TYR 111 H TYR 111 130.570 -1.963 -9.476 235 HA TYR 111 HA TYR 111 131.607 -2.861 -6.870 236 1HB TYR 111 2HB TYR 111 133.072 -3.083 -9.507 237 2HB TYR 111 1HB TYR 111 133.608 -3.690 -7.942 238 HD1 TYR 111 HD1 TYR 111 132.779 -5.766 -7.069 239 HD2 TYR 111 HD2 TYR 111 131.229 -4.198 -10.707 240 HE1 TYR 111 HE1 TYR 111 131.701 -7.926 -7.534 241 HE2 TYR 111 HE2 TYR 111 130.145 -6.353 -11.181 242 HH TYR 111 HH TYR 111 130.841 -9.192 -9.396 243 H ILE 112 H ILE 112 133.334 -1.672 -5.999 244 HA ILE 112 HA ILE 112 133.727 0.973 -7.241 245 HB ILE 112 HB ILE 112 133.864 0.298 -4.301 246 1HG1 ILE 112 2HG1 ILE 112 131.795 2.159 -4.922 247 2HG1 ILE 112 1HG1 ILE 112 131.609 0.770 -5.988 248 1HG2 ILE 112 1HG2 ILE 112 134.706 2.327 -3.940 249 2HG2 ILE 112 2HG2 ILE 112 133.528 3.088 -5.010 250 3HG2 ILE 112 3HG2 ILE 112 135.014 2.409 -5.674 251 1HD1 ILE 112 1HD1 ILE 112 131.966 -0.532 -3.702 252 2HD1 ILE 112 2HD1 ILE 112 130.386 0.037 -4.239 253 3HD1 ILE 112 3HD1 ILE 112 131.304 0.971 -3.059 254 H ASP 113 H ASP 113 135.729 1.519 -7.798 255 HA ASP 113 HA ASP 113 137.951 -0.136 -6.805 256 1HB ASP 113 2HB ASP 113 137.243 0.262 -9.387 257 2HB ASP 113 1HB ASP 113 138.381 1.590 -9.170 258 H LEU 114 H LEU 114 140.129 1.204 -7.103 259 HA LEU 114 HA LEU 114 140.138 3.149 -5.090 260 1HB LEU 114 2HB LEU 114 142.047 1.692 -6.277 261 2HB LEU 114 1HB LEU 114 142.302 3.211 -7.115 262 HG LEU 114 HG LEU 114 142.529 4.324 -4.879 263 1HD1 LEU 114 1HD1 LEU 114 142.260 1.481 -3.981 264 2HD1 LEU 114 2HD1 LEU 114 141.463 2.926 -3.360 265 3HD1 LEU 114 3HD1 LEU 114 143.175 2.654 -3.034 266 1HD2 LEU 114 1HD2 LEU 114 144.602 4.068 -5.747 267 2HD2 LEU 114 2HD2 LEU 114 144.387 2.341 -6.039 268 3HD2 LEU 114 3HD2 LEU 114 144.763 2.924 -4.416 269 H GLU 115 H GLU 115 140.067 3.459 -8.611 270 HA GLU 115 HA GLU 115 140.361 6.289 -8.635 271 1HB GLU 115 2HB GLU 115 139.878 4.159 -10.588 272 2HB GLU 115 1HB GLU 115 139.081 5.673 -10.993 273 1HG GLU 115 2HG GLU 115 141.890 5.902 -10.153 274 2HG GLU 115 1HG GLU 115 141.611 5.060 -11.677 275 H GLU 116 H GLU 116 137.600 4.103 -8.614 276 HA GLU 116 HA GLU 116 135.629 6.099 -9.064 277 1HB GLU 116 2HB GLU 116 135.381 3.584 -9.371 278 2HB GLU 116 1HB GLU 116 135.205 3.482 -7.624 279 1HG GLU 116 2HG GLU 116 133.330 5.236 -7.965 280 2HG GLU 116 1HG GLU 116 133.369 4.691 -9.642 281 H LEU 117 H LEU 117 136.355 4.262 -6.097 282 HA LEU 117 HA LEU 117 134.837 5.695 -4.314 283 1HB LEU 117 2HB LEU 117 136.250 3.593 -3.936 284 2HB LEU 117 1HB LEU 117 137.582 4.687 -3.614 285 HG LEU 117 HG LEU 117 136.180 5.720 -1.795 286 1HD1 LEU 117 1HD1 LEU 117 134.135 4.950 -1.230 287 2HD1 LEU 117 2HD1 LEU 117 134.520 3.286 -1.674 288 3HD1 LEU 117 3HD1 LEU 117 134.097 4.458 -2.923 289 1HD2 LEU 117 1HD2 LEU 117 137.950 4.173 -1.258 290 2HD2 LEU 117 2HD2 LEU 117 136.893 2.799 -1.582 291 3HD2 LEU 117 3HD2 LEU 117 136.563 3.862 -0.214 292 H LYS 118 H LYS 118 137.846 6.620 -5.791 293 HA LYS 118 HA LYS 118 138.684 8.610 -4.013 294 1HB LYS 118 2HB LYS 118 139.227 7.870 -6.806 295 2HB LYS 118 1HB LYS 118 139.465 9.577 -6.456 296 1HG LYS 118 2HG LYS 118 140.923 8.889 -4.539 297 2HG LYS 118 1HG LYS 118 140.807 7.233 -5.137 298 1HD LYS 118 2HD LYS 118 141.664 8.095 -7.346 299 2HD LYS 118 1HD LYS 118 142.001 9.623 -6.529 300 1HE LYS 118 2HE LYS 118 143.081 6.969 -5.602 301 2HE LYS 118 1HE LYS 118 143.946 8.032 -6.710 302 1HZ LYS 118 1HZ LYS 118 143.500 8.300 -3.855 303 2HZ LYS 118 2HZ LYS 118 143.364 9.730 -4.748 304 3HZ LYS 118 3HZ LYS 118 144.796 8.830 -4.803 305 H ILE 119 H ILE 119 136.169 8.600 -6.425 306 HA ILE 119 HA ILE 119 135.842 11.468 -6.424 307 HB ILE 119 HB ILE 119 133.948 9.384 -7.513 308 1HG1 ILE 119 2HG1 ILE 119 135.721 10.880 -9.347 309 2HG1 ILE 119 1HG1 ILE 119 136.519 9.679 -8.338 310 1HG2 ILE 119 1HG2 ILE 119 133.054 11.157 -8.857 311 2HG2 ILE 119 2HG2 ILE 119 134.283 12.280 -8.276 312 3HG2 ILE 119 3HG2 ILE 119 133.047 11.676 -7.173 313 1HD1 ILE 119 1HD1 ILE 119 134.111 8.618 -9.511 314 2HD1 ILE 119 2HD1 ILE 119 135.769 8.022 -9.598 315 3HD1 ILE 119 3HD1 ILE 119 135.211 9.244 -10.740 316 H MET 120 H MET 120 134.183 8.676 -5.022 317 HA MET 120 HA MET 120 131.936 9.919 -3.986 318 1HB MET 120 2HB MET 120 132.163 7.519 -3.942 319 2HB MET 120 1HB MET 120 133.555 7.624 -2.874 320 1HG MET 120 2HG MET 120 131.414 8.972 -1.611 321 2HG MET 120 1HG MET 120 130.797 7.433 -2.212 322 1HE MET 120 1HE MET 120 134.550 8.033 -1.195 323 2HE MET 120 2HE MET 120 134.488 7.735 0.543 324 3HE MET 120 3HE MET 120 133.664 9.135 -0.142 325 H LEU 121 H LEU 121 135.162 9.610 -2.554 326 HA LEU 121 HA LEU 121 134.468 10.945 -0.130 327 1HB LEU 121 2HB LEU 121 136.915 11.033 0.243 328 2HB LEU 121 1HB LEU 121 136.319 9.425 -0.123 329 HG LEU 121 HG LEU 121 137.025 10.251 -2.604 330 1HD1 LEU 121 1HD1 LEU 121 139.133 11.414 -2.503 331 2HD1 LEU 121 2HD1 LEU 121 139.051 11.482 -0.743 332 3HD1 LEU 121 3HD1 LEU 121 137.890 12.386 -1.717 333 1HD2 LEU 121 1HD2 LEU 121 138.412 8.736 -0.454 334 2HD2 LEU 121 2HD2 LEU 121 139.307 9.111 -1.927 335 3HD2 LEU 121 3HD2 LEU 121 137.808 8.188 -2.018 336 H GLN 122 H GLN 122 135.787 11.948 -3.224 337 HA GLN 122 HA GLN 122 136.605 14.539 -2.489 338 1HB GLN 122 2HB GLN 122 135.933 13.172 -5.053 339 2HB GLN 122 1HB GLN 122 136.031 14.927 -5.056 340 1HG GLN 122 2HG GLN 122 138.309 14.116 -3.702 341 2HG GLN 122 1HG GLN 122 138.139 12.951 -5.015 342 1HE2 GLN 122 1HE2 GLN 122 137.998 16.439 -4.398 343 2HE2 GLN 122 2HE2 GLN 122 138.751 16.907 -5.880 344 H ALA 123 H ALA 123 133.490 13.178 -3.210 345 HA ALA 123 HA ALA 123 132.065 15.502 -3.846 346 1HB ALA 123 1HB ALA 123 130.770 13.699 -4.281 347 2HB ALA 123 2HB ALA 123 130.161 14.037 -2.663 348 3HB ALA 123 3HB ALA 123 131.383 12.788 -2.902 349 H THR 124 H THR 124 133.176 14.253 -0.786 350 HA THR 124 HA THR 124 131.453 15.836 0.848 351 HB THR 124 HB THR 124 132.835 15.122 2.694 352 HG1 THR 124 HG1 THR 124 134.862 14.628 2.464 353 1HG2 THR 124 1HG2 THR 124 132.282 12.960 2.666 354 2HG2 THR 124 2HG2 THR 124 133.136 12.655 1.153 355 3HG2 THR 124 3HG2 THR 124 131.517 13.353 1.126 356 H GLY 125 H GLY 125 132.793 17.212 2.626 357 1HA GLY 125 2HA GLY 125 134.225 19.243 1.035 358 2HA GLY 125 1HA GLY 125 133.263 19.592 2.462 359 H GLU 126 H GLU 126 135.152 16.779 2.760 360 HA GLU 126 HA GLU 126 137.036 18.237 4.475 361 1HB GLU 126 2HB GLU 126 136.212 15.332 4.444 362 2HB GLU 126 1HB GLU 126 137.476 15.982 5.478 363 1HG GLU 126 2HG GLU 126 134.718 17.131 5.530 364 2HG GLU 126 1HG GLU 126 135.113 15.673 6.438 365 H THR 127 H THR 127 139.196 16.870 4.689 366 HA THR 127 HA THR 127 140.190 16.505 1.943 367 HB THR 127 HB THR 127 142.410 17.088 2.832 368 HG1 THR 127 HG1 THR 127 142.653 17.696 4.942 369 1HG2 THR 127 1HG2 THR 127 140.524 18.864 2.235 370 2HG2 THR 127 2HG2 THR 127 142.130 19.326 2.801 371 3HG2 THR 127 3HG2 THR 127 140.775 19.287 3.929 372 H ILE 128 H ILE 128 140.762 14.524 1.355 373 HA ILE 128 HA ILE 128 141.496 12.587 3.454 374 HB ILE 128 HB ILE 128 140.158 11.843 0.861 375 1HG1 ILE 128 2HG1 ILE 128 138.662 13.305 2.187 376 2HG1 ILE 128 1HG1 ILE 128 138.059 11.654 2.081 377 1HG2 ILE 128 1HG2 ILE 128 141.300 10.000 1.785 378 2HG2 ILE 128 2HG2 ILE 128 139.606 9.785 2.228 379 3HG2 ILE 128 3HG2 ILE 128 140.761 10.387 3.419 380 1HD1 ILE 128 1HD1 ILE 128 139.162 11.288 4.345 381 2HD1 ILE 128 2HD1 ILE 128 137.709 12.286 4.297 382 3HD1 ILE 128 3HD1 ILE 128 139.296 13.045 4.426 383 H THR 129 H THR 129 143.345 11.471 3.177 384 HA THR 129 HA THR 129 145.034 12.190 0.934 385 HB THR 129 HB THR 129 146.012 12.184 3.161 386 HG1 THR 129 HG1 THR 129 147.796 10.878 2.702 387 1HG2 THR 129 1HG2 THR 129 144.521 9.908 3.633 388 2HG2 THR 129 2HG2 THR 129 145.747 10.606 4.691 389 3HG2 THR 129 3HG2 THR 129 146.186 9.329 3.555 390 H GLU 130 H GLU 130 146.447 10.328 0.041 391 HA GLU 130 HA GLU 130 144.689 8.502 -1.271 392 1HB GLU 130 2HB GLU 130 146.847 7.603 -2.246 393 2HB GLU 130 1HB GLU 130 146.521 9.306 -2.544 394 1HG GLU 130 2HG GLU 130 148.134 9.999 -0.987 395 2HG GLU 130 1HG GLU 130 148.251 8.392 -0.272 396 H ASP 131 H ASP 131 147.024 8.263 1.345 397 HA ASP 131 HA ASP 131 147.181 5.471 1.525 398 1HB ASP 131 2HB ASP 131 147.724 7.748 3.359 399 2HB ASP 131 1HB ASP 131 147.561 6.151 4.085 400 H ASP 132 H ASP 132 145.013 7.761 3.164 401 HA ASP 132 HA ASP 132 143.627 5.913 4.732 402 1HB ASP 132 2HB ASP 132 142.995 8.632 3.657 403 2HB ASP 132 1HB ASP 132 141.713 7.703 4.428 404 H ILE 133 H ILE 133 143.114 6.936 1.397 405 HA ILE 133 HA ILE 133 140.646 5.567 1.046 406 HB ILE 133 HB ILE 133 142.622 6.354 -1.097 407 1HG1 ILE 133 2HG1 ILE 133 140.247 7.996 -0.267 408 2HG1 ILE 133 1HG1 ILE 133 141.781 8.165 0.580 409 1HG2 ILE 133 1HG2 ILE 133 140.561 6.481 -2.496 410 2HG2 ILE 133 2HG2 ILE 133 139.669 5.759 -1.158 411 3HG2 ILE 133 3HG2 ILE 133 140.962 4.854 -1.946 412 1HD1 ILE 133 1HD1 ILE 133 142.808 9.150 -1.197 413 2HD1 ILE 133 2HD1 ILE 133 141.153 9.700 -1.455 414 3HD1 ILE 133 3HD1 ILE 133 141.785 8.339 -2.382 415 H GLU 134 H GLU 134 144.004 4.775 0.180 416 HA GLU 134 HA GLU 134 143.499 2.334 -1.081 417 1HB GLU 134 2HB GLU 134 145.861 3.595 0.215 418 2HB GLU 134 1HB GLU 134 145.935 1.864 -0.092 419 1HG GLU 134 2HG GLU 134 145.610 2.199 -2.436 420 2HG GLU 134 1HG GLU 134 145.294 3.917 -2.195 421 H GLU 135 H GLU 135 144.286 3.017 2.318 422 HA GLU 135 HA GLU 135 144.269 0.359 3.213 423 1HB GLU 135 2HB GLU 135 144.067 1.277 5.450 424 2HB GLU 135 1HB GLU 135 145.195 2.243 4.510 425 1HG GLU 135 2HG GLU 135 143.579 3.972 4.214 426 2HG GLU 135 1HG GLU 135 142.308 2.976 4.921 427 H LEU 136 H LEU 136 141.685 2.640 2.647 428 HA LEU 136 HA LEU 136 139.657 1.298 4.086 429 1HB LEU 136 2HB LEU 136 139.852 3.664 2.706 430 2HB LEU 136 1HB LEU 136 138.783 2.726 1.680 431 HG LEU 136 HG LEU 136 137.748 2.338 4.224 432 1HD1 LEU 136 1HD1 LEU 136 139.389 4.389 4.659 433 2HD1 LEU 136 2HD1 LEU 136 137.823 4.238 5.456 434 3HD1 LEU 136 3HD1 LEU 136 137.997 5.279 4.043 435 1HD2 LEU 136 1HD2 LEU 136 136.802 4.514 2.394 436 2HD2 LEU 136 2HD2 LEU 136 135.853 3.407 3.388 437 3HD2 LEU 136 3HD2 LEU 136 136.671 2.815 1.941 438 H MET 137 H MET 137 140.981 0.888 0.878 439 HA MET 137 HA MET 137 138.895 -0.770 -0.127 440 1HB MET 137 2HB MET 137 141.660 -0.056 -0.988 441 2HB MET 137 1HB MET 137 140.907 -1.472 -1.709 442 1HG MET 137 2HG MET 137 139.117 0.797 -1.694 443 2HG MET 137 1HG MET 137 140.631 1.162 -2.517 444 1HE MET 137 1HE MET 137 137.085 -1.107 -3.777 445 2HE MET 137 2HE MET 137 137.363 0.553 -4.306 446 3HE MET 137 3HE MET 137 137.373 0.162 -2.586 447 H LYS 138 H LYS 138 142.054 -1.422 1.344 448 HA LYS 138 HA LYS 138 141.951 -4.230 1.080 449 1HB LYS 138 2HB LYS 138 143.916 -2.592 1.728 450 2HB LYS 138 1HB LYS 138 143.388 -2.951 3.366 451 1HG LYS 138 2HG LYS 138 143.766 -5.308 3.018 452 2HG LYS 138 1HG LYS 138 144.177 -5.020 1.327 453 1HD LYS 138 2HD LYS 138 146.300 -4.860 1.996 454 2HD LYS 138 1HD LYS 138 145.858 -3.314 2.720 455 1HE LYS 138 2HE LYS 138 145.214 -5.676 4.345 456 2HE LYS 138 1HE LYS 138 146.936 -5.408 4.075 457 1HZ LYS 138 1HZ LYS 138 145.348 -3.090 4.851 458 2HZ LYS 138 2HZ LYS 138 146.924 -3.516 5.289 459 3HZ LYS 138 3HZ LYS 138 145.608 -4.263 6.043 460 H ASP 139 H ASP 139 140.600 -2.018 3.407 461 HA ASP 139 HA ASP 139 139.984 -4.075 5.334 462 1HB ASP 139 2HB ASP 139 140.466 -1.630 5.876 463 2HB ASP 139 1HB ASP 139 138.849 -1.281 5.271 464 H GLY 140 H GLY 140 138.634 -3.185 2.407 465 1HA GLY 140 2HA GLY 140 136.001 -4.227 3.250 466 2HA GLY 140 1HA GLY 140 136.176 -2.962 2.042 467 H ASP 141 H ASP 141 138.714 -4.946 1.488 468 HA ASP 141 HA ASP 141 137.212 -6.457 -0.536 469 1HB ASP 141 2HB ASP 141 139.302 -4.796 -0.945 470 2HB ASP 141 1HB ASP 141 140.167 -6.310 -0.705 471 H LYS 142 H LYS 142 136.689 -8.376 0.343 472 HA LYS 142 HA LYS 142 138.529 -9.786 2.072 473 1HB LYS 142 2HB LYS 142 135.951 -10.886 0.979 474 2HB LYS 142 1HB LYS 142 136.775 -11.316 2.471 475 1HG LYS 142 2HG LYS 142 135.304 -8.761 1.875 476 2HG LYS 142 1HG LYS 142 134.843 -10.026 3.017 477 1HD LYS 142 2HD LYS 142 136.976 -9.546 4.253 478 2HD LYS 142 1HD LYS 142 137.195 -8.149 3.200 479 1HE LYS 142 2HE LYS 142 136.180 -7.359 5.196 480 2HE LYS 142 1HE LYS 142 134.934 -7.356 3.948 481 1HZ LYS 142 1HZ LYS 142 135.140 -8.957 6.360 482 2HZ LYS 142 2HZ LYS 142 134.591 -9.780 4.987 483 3HZ LYS 142 3HZ LYS 142 133.768 -8.410 5.536 484 H ASN 143 H ASN 143 137.317 -10.051 -1.224 485 HA ASN 143 HA ASN 143 138.701 -12.546 -1.688 486 1HB ASN 143 2HB ASN 143 137.899 -12.203 -4.053 487 2HB ASN 143 1HB ASN 143 136.625 -12.280 -2.840 488 1HD2 ASN 143 1HD2 ASN 143 135.538 -11.245 -4.767 489 2HD2 ASN 143 2HD2 ASN 143 135.544 -9.517 -4.818 490 H ASN 144 H ASN 144 139.619 -9.341 -1.584 491 HA ASN 144 HA ASN 144 141.399 -8.152 -2.333 492 1HB ASN 144 2HB ASN 144 142.379 -10.937 -2.012 493 2HB ASN 144 1HB ASN 144 143.433 -9.818 -2.871 494 1HD2 ASN 144 1HD2 ASN 144 141.582 -10.203 0.110 495 2HD2 ASN 144 2HD2 ASN 144 142.650 -9.276 1.102 496 H ASP 145 H ASP 145 139.465 -9.154 -4.362 497 HA ASP 145 HA ASP 145 140.906 -9.831 -6.716 498 1HB ASP 145 2HB ASP 145 138.790 -9.368 -7.890 499 2HB ASP 145 1HB ASP 145 138.531 -10.375 -6.468 500 H GLY 146 H GLY 146 139.823 -6.815 -5.282 501 1HA GLY 146 2HA GLY 146 141.476 -4.964 -5.852 502 2HA GLY 146 1HA GLY 146 141.072 -5.349 -7.519 503 H ARG 147 H ARG 147 138.286 -5.794 -5.833 504 HA ARG 147 HA ARG 147 137.486 -3.003 -5.718 505 1HB ARG 147 2HB ARG 147 136.154 -4.984 -7.576 506 2HB ARG 147 1HB ARG 147 135.528 -3.385 -7.193 507 1HG ARG 147 2HG ARG 147 137.920 -2.640 -8.035 508 2HG ARG 147 1HG ARG 147 137.816 -4.169 -8.909 509 1HD ARG 147 2HD ARG 147 135.326 -2.871 -9.211 510 2HD ARG 147 1HD ARG 147 136.575 -1.663 -9.505 511 HE ARG 147 HE ARG 147 137.137 -2.757 -11.437 512 1HH1 ARG 147 1HH1 ARG 147 135.121 -4.842 -9.495 513 2HH1 ARG 147 2HH1 ARG 147 134.937 -6.031 -10.742 514 1HH2 ARG 147 1HH2 ARG 147 136.895 -4.319 -13.076 515 2HH2 ARG 147 2HH2 ARG 147 135.944 -5.734 -12.774 516 H ILE 148 H ILE 148 135.301 -2.742 -4.803 517 HA ILE 148 HA ILE 148 134.693 -4.954 -2.958 518 HB ILE 148 HB ILE 148 133.945 -2.049 -2.624 519 1HG1 ILE 148 2HG1 ILE 148 136.131 -3.502 -1.141 520 2HG1 ILE 148 1HG1 ILE 148 136.450 -2.596 -2.617 521 1HG2 ILE 148 1HG2 ILE 148 132.510 -3.647 -1.445 522 2HG2 ILE 148 2HG2 ILE 148 133.462 -2.675 -0.325 523 3HG2 ILE 148 3HG2 ILE 148 133.931 -4.342 -0.665 524 1HD1 ILE 148 1HD1 ILE 148 135.663 -0.563 -1.565 525 2HD1 ILE 148 2HD1 ILE 148 136.942 -1.302 -0.604 526 3HD1 ILE 148 3HD1 ILE 148 135.258 -1.457 -0.099 527 H ASP 149 H ASP 149 132.812 -5.961 -3.105 528 HA ASP 149 HA ASP 149 130.764 -4.837 -4.886 529 1HB ASP 149 2HB ASP 149 129.881 -7.150 -5.009 530 2HB ASP 149 1HB ASP 149 131.553 -7.039 -5.552 531 H TYR 150 H TYR 150 128.479 -5.849 -4.200 532 HA TYR 150 HA TYR 150 127.701 -4.458 -1.894 533 1HB TYR 150 2HB TYR 150 126.233 -5.114 -3.848 534 2HB TYR 150 1HB TYR 150 126.172 -6.734 -3.162 535 HD1 TYR 150 HD1 TYR 150 125.913 -3.333 -1.630 536 HD2 TYR 150 HD2 TYR 150 124.068 -7.110 -2.283 537 HE1 TYR 150 HE1 TYR 150 124.027 -2.650 -0.212 538 HE2 TYR 150 HE2 TYR 150 122.174 -6.437 -0.867 539 HH TYR 150 HH TYR 150 121.644 -4.866 0.874 540 H ASP 151 H ASP 151 128.775 -7.739 -2.347 541 HA ASP 151 HA ASP 151 127.804 -8.747 0.135 542 1HB ASP 151 2HB ASP 151 130.169 -9.815 -1.410 543 2HB ASP 151 1HB ASP 151 129.106 -10.696 -0.317 544 H GLU 152 H GLU 152 131.053 -7.785 -0.955 545 HA GLU 152 HA GLU 152 132.268 -8.007 1.577 546 1HB GLU 152 2HB GLU 152 133.176 -6.184 -0.647 547 2HB GLU 152 1HB GLU 152 134.161 -6.932 0.604 548 1HG GLU 152 2HG GLU 152 133.567 -9.153 -0.384 549 2HG GLU 152 1HG GLU 152 132.816 -8.281 -1.719 550 H PHE 153 H PHE 153 130.809 -5.243 -0.111 551 HA PHE 153 HA PHE 153 131.558 -3.338 1.860 552 1HB PHE 153 2HB PHE 153 130.267 -3.277 -0.651 553 2HB PHE 153 1HB PHE 153 129.163 -2.529 0.496 554 HD1 PHE 153 HD1 PHE 153 131.504 -1.745 -1.814 555 HD2 PHE 153 HD2 PHE 153 130.654 -1.013 2.291 556 HE1 PHE 153 HE1 PHE 153 132.817 0.334 -1.916 557 HE2 PHE 153 HE2 PHE 153 131.963 1.067 2.196 558 HZ PHE 153 HZ PHE 153 133.047 1.742 0.089 559 H LEU 154 H LEU 154 128.952 -5.608 1.604 560 HA LEU 154 HA LEU 154 127.082 -4.419 3.315 561 1HB LEU 154 2HB LEU 154 127.499 -6.983 2.087 562 2HB LEU 154 1HB LEU 154 127.003 -7.211 3.751 563 HG LEU 154 HG LEU 154 124.958 -6.022 3.397 564 1HD1 LEU 154 1HD1 LEU 154 126.388 -4.732 1.334 565 2HD1 LEU 154 2HD1 LEU 154 124.755 -4.394 1.906 566 3HD1 LEU 154 3HD1 LEU 154 125.008 -5.534 0.586 567 1HD2 LEU 154 1HD2 LEU 154 124.801 -8.295 2.741 568 2HD2 LEU 154 2HD2 LEU 154 125.587 -7.975 1.195 569 3HD2 LEU 154 3HD2 LEU 154 123.966 -7.353 1.507 570 H GLU 155 H GLU 155 129.948 -6.346 3.973 571 HA GLU 155 HA GLU 155 129.449 -6.524 6.799 572 1HB GLU 155 2HB GLU 155 131.602 -7.381 4.938 573 2HB GLU 155 1HB GLU 155 132.048 -7.151 6.622 574 1HG GLU 155 2HG GLU 155 129.764 -8.615 6.851 575 2HG GLU 155 1HG GLU 155 130.460 -9.255 5.363 576 H PHE 156 H PHE 156 131.154 -4.376 4.647 577 HA PHE 156 HA PHE 156 132.851 -3.100 6.454 578 1HB PHE 156 2HB PHE 156 132.290 -2.828 3.782 579 2HB PHE 156 1HB PHE 156 131.656 -1.324 4.442 580 HD1 PHE 156 HD1 PHE 156 134.109 -1.937 2.565 581 HD2 PHE 156 HD2 PHE 156 133.681 -1.067 6.709 582 HE1 PHE 156 HE1 PHE 156 136.382 -1.000 2.600 583 HE2 PHE 156 HE2 PHE 156 135.953 -0.127 6.750 584 HZ PHE 156 HZ PHE 156 137.307 -0.092 4.693 585 H MET 157 H MET 157 129.436 -3.013 6.262 586 HA MET 157 HA MET 157 129.382 -0.643 8.009 587 1HB MET 157 2HB MET 157 127.944 -1.145 5.670 588 2HB MET 157 1HB MET 157 126.790 -1.442 6.964 589 1HG MET 157 2HG MET 157 126.660 0.725 7.523 590 2HG MET 157 1HG MET 157 128.380 1.005 7.263 591 1HE MET 157 1HE MET 157 129.304 2.212 5.678 592 2HE MET 157 2HE MET 157 128.648 2.793 4.147 593 3HE MET 157 3HE MET 157 129.263 1.145 4.274 594 H LYS 158 H LYS 158 129.738 -3.654 8.525 595 HA LYS 158 HA LYS 158 127.414 -4.442 9.986 596 1HB LYS 158 2HB LYS 158 129.479 -5.802 8.901 597 2HB LYS 158 1HB LYS 158 129.978 -5.775 10.587 598 1HG LYS 158 2HG LYS 158 127.176 -6.530 10.082 599 2HG LYS 158 1HG LYS 158 128.404 -7.669 9.525 600 1HD LYS 158 2HD LYS 158 129.417 -7.517 11.831 601 2HD LYS 158 1HD LYS 158 127.968 -6.638 12.321 602 1HE LYS 158 2HE LYS 158 128.129 -9.455 11.264 603 2HE LYS 158 1HE LYS 158 127.687 -8.949 12.894 604 1HZ LYS 158 1HZ LYS 158 126.136 -8.643 10.396 605 2HZ LYS 158 2HZ LYS 158 125.791 -7.719 11.770 606 3HZ LYS 158 3HZ LYS 158 125.676 -9.404 11.835 607 H GLY 159 H GLY 159 129.109 -1.934 10.796 608 1HA GLY 159 2HA GLY 159 128.628 -1.132 13.082 609 2HA GLY 159 1HA GLY 159 129.229 -2.675 13.654 610 H VAL 160 H VAL 160 131.316 -2.102 11.277 611 HA VAL 160 HA VAL 160 133.520 -1.594 12.803 612 HB VAL 160 HB VAL 160 134.652 -0.794 10.776 613 1HG1 VAL 160 1HG1 VAL 160 132.856 -3.184 10.604 614 2HG1 VAL 160 2HG1 VAL 160 134.597 -3.114 10.888 615 3HG1 VAL 160 3HG1 VAL 160 133.951 -2.773 9.282 616 1HG2 VAL 160 1HG2 VAL 160 131.869 -0.748 9.619 617 2HG2 VAL 160 2HG2 VAL 160 133.346 -0.654 8.660 618 3HG2 VAL 160 3HG2 VAL 160 132.967 0.619 9.819 619 H GLU 161 H GLU 161 131.422 0.808 11.258 620 HA GLU 161 HA GLU 161 132.778 2.898 12.833 621 1HB GLU 161 2HB GLU 161 131.936 4.491 11.094 622 2HB GLU 161 1HB GLU 161 133.116 3.332 10.500 623 1HG GLU 161 2HG GLU 161 131.636 2.310 9.140 624 2HG GLU 161 1HG GLU 161 130.284 2.559 10.242 Start of MODEL 6 1 1H MET 81 1HT MET 81 88.174 -11.446 13.868 2 2H MET 81 2HT MET 81 89.179 -10.198 14.485 3 3H MET 81 3HT MET 81 89.855 -11.719 14.066 4 HA MET 81 HA MET 81 89.005 -11.272 11.768 5 1HB MET 81 2HB MET 81 88.395 -8.781 13.225 6 2HB MET 81 1HB MET 81 89.173 -8.551 11.666 7 1HG MET 81 2HG MET 81 87.004 -10.483 11.565 8 2HG MET 81 1HG MET 81 86.482 -8.891 12.111 9 1HE MET 81 1HE MET 81 85.088 -8.749 8.868 10 2HE MET 81 2HE MET 81 85.578 -7.184 9.515 11 3HE MET 81 3HE MET 81 85.024 -8.456 10.605 12 H VAL 82 H VAL 82 91.122 -9.811 14.136 13 HA VAL 82 HA VAL 82 93.383 -9.528 14.175 14 HB VAL 82 HB VAL 82 93.499 -10.856 11.468 15 1HG1 VAL 82 1HG1 VAL 82 95.553 -10.863 13.663 16 2HG1 VAL 82 2HG1 VAL 82 95.513 -9.637 12.395 17 3HG1 VAL 82 3HG1 VAL 82 95.754 -11.333 11.975 18 1HG2 VAL 82 1HG2 VAL 82 92.335 -12.427 12.755 19 2HG2 VAL 82 2HG2 VAL 82 93.255 -12.050 14.211 20 3HG2 VAL 82 3HG2 VAL 82 94.021 -12.926 12.886 21 H ARG 83 H ARG 83 92.517 -9.221 10.723 22 HA ARG 83 HA ARG 83 92.694 -7.487 9.259 23 1HB ARG 83 2HB ARG 83 91.638 -6.324 11.413 24 2HB ARG 83 1HB ARG 83 93.185 -5.489 11.411 25 1HG ARG 83 2HG ARG 83 92.334 -4.067 9.943 26 2HG ARG 83 1HG ARG 83 92.297 -5.381 8.768 27 1HD ARG 83 2HD ARG 83 90.060 -5.388 10.663 28 2HD ARG 83 1HD ARG 83 90.122 -3.969 9.618 29 HE ARG 83 HE ARG 83 90.449 -6.428 8.185 30 1HH1 ARG 83 1HH1 ARG 83 88.105 -4.231 9.547 31 2HH1 ARG 83 2HH1 ARG 83 86.838 -4.716 8.470 32 1HH2 ARG 83 1HH2 ARG 83 88.785 -7.066 6.766 33 2HH2 ARG 83 2HH2 ARG 83 87.224 -6.325 6.891 34 H CYS 84 H CYS 84 94.567 -7.883 8.218 35 HA CYS 84 HA CYS 84 97.027 -6.750 9.382 36 1HB CYS 84 2HB CYS 84 96.509 -9.297 7.938 37 2HB CYS 84 1HB CYS 84 98.032 -8.480 7.601 38 HG CYS 84 HG CYS 84 98.799 -9.702 9.586 39 H MET 85 H MET 85 97.279 -4.817 8.431 40 HA MET 85 HA MET 85 96.652 -4.488 5.604 41 1HB MET 85 2HB MET 85 97.091 -2.671 7.909 42 2HB MET 85 1HB MET 85 97.546 -2.060 6.325 43 1HG MET 85 2HG MET 85 95.211 -2.766 5.578 44 2HG MET 85 1HG MET 85 94.844 -2.912 7.296 45 1HE MET 85 1HE MET 85 92.939 -0.307 5.851 46 2HE MET 85 2HE MET 85 93.079 0.074 7.567 47 3HE MET 85 3HE MET 85 93.014 -1.607 7.038 48 H LYS 86 H LYS 86 98.247 -5.458 4.440 49 HA LYS 86 HA LYS 86 100.268 -5.762 3.447 50 1HB LYS 86 2HB LYS 86 99.905 -3.062 3.633 51 2HB LYS 86 1HB LYS 86 101.457 -3.258 4.438 52 1HG LYS 86 2HG LYS 86 102.149 -2.952 2.290 53 2HG LYS 86 1HG LYS 86 102.004 -4.711 2.317 54 1HD LYS 86 2HD LYS 86 99.762 -2.913 1.431 55 2HD LYS 86 1HD LYS 86 100.991 -3.517 0.318 56 1HE LYS 86 2HE LYS 86 100.394 -5.831 1.024 57 2HE LYS 86 1HE LYS 86 99.073 -5.151 1.974 58 1HZ LYS 86 1HZ LYS 86 98.561 -4.044 -0.368 59 2HZ LYS 86 2HZ LYS 86 97.951 -5.559 0.074 60 3HZ LYS 86 3HZ LYS 86 99.322 -5.454 -0.912 61 H ASP 87 H ASP 87 102.842 -5.085 4.085 62 HA ASP 87 HA ASP 87 103.270 -6.713 6.466 63 1HB ASP 87 2HB ASP 87 105.530 -7.003 5.662 64 2HB ASP 87 1HB ASP 87 104.423 -7.257 4.318 65 H ASP 88 H ASP 88 105.892 -5.770 7.074 66 HA ASP 88 HA ASP 88 105.407 -3.897 9.035 67 1HB ASP 88 2HB ASP 88 107.886 -3.476 8.988 68 2HB ASP 88 1HB ASP 88 107.434 -5.174 9.084 69 H SER 89 H SER 89 106.736 -1.712 9.084 70 HA SER 89 HA SER 89 105.892 -0.179 6.715 71 1HB SER 89 2HB SER 89 105.711 1.769 8.257 72 2HB SER 89 1HB SER 89 104.615 0.454 8.677 73 HG SER 89 HG SER 89 105.854 -0.051 10.397 74 H LYS 90 H LYS 90 108.489 -0.817 8.959 75 HA LYS 90 HA LYS 90 110.186 1.170 7.629 76 1HB LYS 90 2HB LYS 90 111.801 0.593 9.492 77 2HB LYS 90 1HB LYS 90 110.309 1.380 9.986 78 1HG LYS 90 2HG LYS 90 109.523 -0.467 11.058 79 2HG LYS 90 1HG LYS 90 110.374 -1.586 9.992 80 1HD LYS 90 2HD LYS 90 112.071 -1.741 11.425 81 2HD LYS 90 1HD LYS 90 112.265 0.013 11.452 82 1HE LYS 90 2HE LYS 90 110.584 0.209 13.178 83 2HE LYS 90 1HE LYS 90 110.253 -1.521 13.094 84 1HZ LYS 90 1HZ LYS 90 112.787 -1.677 13.628 85 2HZ LYS 90 2HZ LYS 90 111.665 -1.426 14.870 86 3HZ LYS 90 3HZ LYS 90 112.555 -0.123 14.259 87 H GLY 91 H GLY 91 111.857 0.620 6.347 88 1HA GLY 91 2HA GLY 91 112.491 -2.257 6.115 89 2HA GLY 91 1HA GLY 91 112.331 -1.216 4.709 90 H LYS 92 H LYS 92 113.862 -0.117 7.649 91 HA LYS 92 HA LYS 92 116.300 0.407 6.195 92 1HB LYS 92 2HB LYS 92 115.411 0.978 9.019 93 2HB LYS 92 1HB LYS 92 117.035 1.340 8.449 94 1HG LYS 92 2HG LYS 92 116.369 3.173 7.367 95 2HG LYS 92 1HG LYS 92 114.946 2.374 6.699 96 1HD LYS 92 2HD LYS 92 113.604 3.036 8.410 97 2HD LYS 92 1HD LYS 92 114.907 2.973 9.599 98 1HE LYS 92 2HE LYS 92 114.781 5.072 7.450 99 2HE LYS 92 1HE LYS 92 113.986 5.273 9.010 100 1HZ LYS 92 1HZ LYS 92 116.478 6.043 8.533 101 2HZ LYS 92 2HZ LYS 92 116.779 4.476 9.093 102 3HZ LYS 92 3HZ LYS 92 115.937 5.573 10.066 103 H THR 93 H THR 93 116.277 -2.138 5.974 104 HA THR 93 HA THR 93 117.902 -3.252 8.164 105 HB THR 93 HB THR 93 117.071 -5.412 7.639 106 HG1 THR 93 HG1 THR 93 115.792 -4.323 5.358 107 1HG2 THR 93 1HG2 THR 93 114.458 -4.525 7.092 108 2HG2 THR 93 2HG2 THR 93 115.207 -3.322 8.142 109 3HG2 THR 93 3HG2 THR 93 115.148 -5.012 8.641 110 H GLU 94 H GLU 94 118.580 -5.561 6.374 111 HA GLU 94 HA GLU 94 121.010 -4.518 5.324 112 1HB GLU 94 2HB GLU 94 119.837 -7.097 5.828 113 2HB GLU 94 1HB GLU 94 120.569 -7.074 4.230 114 1HG GLU 94 2HG GLU 94 122.689 -6.713 5.057 115 2HG GLU 94 1HG GLU 94 122.096 -6.036 6.573 116 H GLU 95 H GLU 95 117.944 -4.368 4.102 117 HA GLU 95 HA GLU 95 118.699 -4.730 1.309 118 1HB GLU 95 2HB GLU 95 116.367 -5.243 2.641 119 2HB GLU 95 1HB GLU 95 116.012 -3.685 1.908 120 1HG GLU 95 2HG GLU 95 116.981 -4.845 -0.241 121 2HG GLU 95 1HG GLU 95 116.531 -6.313 0.627 122 H GLU 96 H GLU 96 118.047 -2.202 3.619 123 HA GLU 96 HA GLU 96 117.722 -0.101 1.717 124 1HB GLU 96 2HB GLU 96 117.812 1.393 3.592 125 2HB GLU 96 1HB GLU 96 116.884 -0.021 4.070 126 1HG GLU 96 2HG GLU 96 118.192 -0.223 5.837 127 2HG GLU 96 1HG GLU 96 119.537 -0.587 4.758 128 H LEU 97 H LEU 97 120.448 -1.653 3.204 129 HA LEU 97 HA LEU 97 122.407 0.299 2.978 130 1HB LEU 97 2HB LEU 97 122.355 -2.647 3.096 131 2HB LEU 97 1HB LEU 97 123.807 -1.952 2.402 132 HG LEU 97 HG LEU 97 122.812 -0.915 5.023 133 1HD1 LEU 97 1HD1 LEU 97 124.677 -3.247 4.928 134 2HD1 LEU 97 2HD1 LEU 97 122.933 -3.504 4.948 135 3HD1 LEU 97 3HD1 LEU 97 123.712 -2.637 6.272 136 1HD2 LEU 97 1HD2 LEU 97 125.642 -1.407 4.178 137 2HD2 LEU 97 2HD2 LEU 97 125.010 -0.236 5.335 138 3HD2 LEU 97 3HD2 LEU 97 124.764 0.010 3.606 139 H SER 98 H SER 98 120.795 -1.486 0.499 140 HA SER 98 HA SER 98 122.716 -1.372 -1.541 141 1HB SER 98 2HB SER 98 119.792 -1.087 -2.141 142 2HB SER 98 1HB SER 98 121.017 -2.029 -2.991 143 HG SER 98 HG SER 98 119.372 -2.788 -1.002 144 H ASP 99 H ASP 99 120.346 0.973 -0.422 145 HA ASP 99 HA ASP 99 120.609 2.809 -2.545 146 1HB ASP 99 2HB ASP 99 119.014 2.622 -0.321 147 2HB ASP 99 1HB ASP 99 120.051 3.984 0.090 148 H LEU 100 H LEU 100 122.385 2.358 0.455 149 HA LEU 100 HA LEU 100 123.928 4.762 0.168 150 1HB LEU 100 2HB LEU 100 124.452 2.353 1.909 151 2HB LEU 100 1HB LEU 100 125.210 3.927 2.065 152 HG LEU 100 HG LEU 100 122.239 3.775 2.254 153 1HD1 LEU 100 1HD1 LEU 100 124.147 2.537 4.143 154 2HD1 LEU 100 2HD1 LEU 100 122.459 2.148 3.812 155 3HD1 LEU 100 3HD1 LEU 100 122.862 3.525 4.839 156 1HD2 LEU 100 1HD2 LEU 100 123.289 5.943 2.298 157 2HD2 LEU 100 2HD2 LEU 100 124.381 5.428 3.585 158 3HD2 LEU 100 3HD2 LEU 100 122.652 5.574 3.900 159 H PHE 101 H PHE 101 124.274 1.410 -0.751 160 HA PHE 101 HA PHE 101 127.027 1.343 -1.248 161 1HB PHE 101 2HB PHE 101 125.612 -0.668 -1.204 162 2HB PHE 101 1HB PHE 101 124.825 -0.149 -2.690 163 HD1 PHE 101 HD1 PHE 101 127.650 -1.832 -1.244 164 HD2 PHE 101 HD2 PHE 101 126.172 -0.011 -4.796 165 HE1 PHE 101 HE1 PHE 101 129.371 -3.005 -2.556 166 HE2 PHE 101 HE2 PHE 101 127.890 -1.182 -6.115 167 HZ PHE 101 HZ PHE 101 129.490 -2.681 -4.995 168 H ARG 102 H ARG 102 124.325 2.286 -3.344 169 HA ARG 102 HA ARG 102 125.712 2.632 -5.725 170 1HB ARG 102 2HB ARG 102 123.391 4.270 -4.689 171 2HB ARG 102 1HB ARG 102 123.911 4.178 -6.365 172 1HG ARG 102 2HG ARG 102 123.205 1.951 -6.578 173 2HG ARG 102 1HG ARG 102 123.071 1.742 -4.830 174 1HD ARG 102 2HD ARG 102 121.270 3.532 -4.908 175 2HD ARG 102 1HD ARG 102 121.294 3.337 -6.659 176 HE ARG 102 HE ARG 102 120.966 0.843 -5.320 177 1HH1 ARG 102 1HH1 ARG 102 119.260 3.717 -6.328 178 2HH1 ARG 102 2HH1 ARG 102 117.722 2.925 -6.409 179 1HH2 ARG 102 1HH2 ARG 102 118.945 -0.200 -5.430 180 2HH2 ARG 102 2HH2 ARG 102 117.543 0.702 -5.899 181 H MET 103 H MET 103 125.357 4.824 -2.983 182 HA MET 103 HA MET 103 126.402 7.144 -4.096 183 1HB MET 103 2HB MET 103 126.099 6.057 -1.368 184 2HB MET 103 1HB MET 103 127.321 7.308 -1.548 185 1HG MET 103 2HG MET 103 124.536 7.673 -2.588 186 2HG MET 103 1HG MET 103 124.955 8.016 -0.910 187 1HE MET 103 1HE MET 103 124.328 10.263 -0.787 188 2HE MET 103 2HE MET 103 123.806 10.641 -2.428 189 3HE MET 103 3HE MET 103 125.022 11.644 -1.636 190 H PHE 104 H PHE 104 127.997 4.211 -3.184 191 HA PHE 104 HA PHE 104 130.637 5.390 -3.146 192 1HB PHE 104 2HB PHE 104 129.495 2.682 -2.680 193 2HB PHE 104 1HB PHE 104 131.178 2.775 -3.186 194 HD1 PHE 104 HD1 PHE 104 132.304 4.993 -1.849 195 HD2 PHE 104 HD2 PHE 104 129.343 2.286 -0.430 196 HE1 PHE 104 HE1 PHE 104 132.976 5.478 0.467 197 HE2 PHE 104 HE2 PHE 104 130.008 2.768 1.888 198 HZ PHE 104 HZ PHE 104 131.827 4.366 2.341 199 H ASP 105 H ASP 105 128.513 3.976 -5.466 200 HA ASP 105 HA ASP 105 130.695 3.569 -7.377 201 1HB ASP 105 2HB ASP 105 128.325 2.161 -6.869 202 2HB ASP 105 1HB ASP 105 128.050 2.975 -8.405 203 H LYS 106 H LYS 106 130.932 4.783 -9.199 204 HA LYS 106 HA LYS 106 129.165 7.122 -9.439 205 1HB LYS 106 2HB LYS 106 131.954 6.804 -10.549 206 2HB LYS 106 1HB LYS 106 131.001 8.281 -10.487 207 1HG LYS 106 2HG LYS 106 132.025 6.768 -8.093 208 2HG LYS 106 1HG LYS 106 132.751 8.225 -8.776 209 1HD LYS 106 2HD LYS 106 129.906 8.093 -7.794 210 2HD LYS 106 1HD LYS 106 131.261 8.588 -6.777 211 1HE LYS 106 2HE LYS 106 131.763 10.280 -8.659 212 2HE LYS 106 1HE LYS 106 130.114 9.950 -9.190 213 1HZ LYS 106 1HZ LYS 106 130.536 11.884 -7.576 214 2HZ LYS 106 2HZ LYS 106 130.658 10.686 -6.388 215 3HZ LYS 106 3HZ LYS 106 129.227 10.855 -7.274 216 H ASN 107 H ASN 107 130.683 4.505 -11.238 217 HA ASN 107 HA ASN 107 129.244 5.322 -13.658 218 1HB ASN 107 2HB ASN 107 130.684 3.725 -14.839 219 2HB ASN 107 1HB ASN 107 131.640 4.882 -13.916 220 1HD2 ASN 107 1HD2 ASN 107 132.813 2.603 -14.722 221 2HD2 ASN 107 2HD2 ASN 107 133.081 1.547 -13.382 222 H ALA 108 H ALA 108 128.473 3.587 -11.062 223 HA ALA 108 HA ALA 108 127.161 1.776 -10.591 224 1HB ALA 108 1HB ALA 108 125.950 3.179 -12.891 225 2HB ALA 108 2HB ALA 108 125.293 2.844 -11.289 226 3HB ALA 108 3HB ALA 108 125.307 1.578 -12.517 227 H ASP 109 H ASP 109 129.033 0.340 -10.989 228 HA ASP 109 HA ASP 109 128.543 -1.411 -13.308 229 1HB ASP 109 2HB ASP 109 130.966 -1.974 -13.232 230 2HB ASP 109 1HB ASP 109 130.657 -0.283 -13.613 231 H GLY 110 H GLY 110 128.314 -1.217 -10.005 232 1HA GLY 110 2HA GLY 110 127.533 -2.991 -8.657 233 2HA GLY 110 1HA GLY 110 128.230 -4.132 -9.797 234 H TYR 111 H TYR 111 130.729 -2.293 -9.661 235 HA TYR 111 HA TYR 111 131.721 -3.168 -7.040 236 1HB TYR 111 2HB TYR 111 133.190 -3.532 -9.662 237 2HB TYR 111 1HB TYR 111 133.824 -3.918 -8.064 238 HD1 TYR 111 HD1 TYR 111 133.523 -6.051 -7.179 239 HD2 TYR 111 HD2 TYR 111 131.047 -4.776 -10.396 240 HE1 TYR 111 HE1 TYR 111 132.587 -8.319 -7.349 241 HE2 TYR 111 HE2 TYR 111 130.104 -7.040 -10.574 242 HH TYR 111 HH TYR 111 130.484 -9.384 -8.202 243 H ILE 112 H ILE 112 133.219 -1.826 -6.086 244 HA ILE 112 HA ILE 112 133.646 0.747 -7.451 245 HB ILE 112 HB ILE 112 133.809 0.218 -4.485 246 1HG1 ILE 112 2HG1 ILE 112 131.590 1.770 -4.844 247 2HG1 ILE 112 1HG1 ILE 112 131.510 0.726 -6.260 248 1HG2 ILE 112 1HG2 ILE 112 134.273 2.407 -4.202 249 2HG2 ILE 112 2HG2 ILE 112 133.270 2.909 -5.563 250 3HG2 ILE 112 3HG2 ILE 112 134.887 2.269 -5.850 251 1HD1 ILE 112 1HD1 ILE 112 130.560 0.142 -3.754 252 2HD1 ILE 112 2HD1 ILE 112 132.088 -0.738 -3.821 253 3HD1 ILE 112 3HD1 ILE 112 130.855 -1.017 -5.051 254 H ASP 113 H ASP 113 135.653 1.517 -7.775 255 HA ASP 113 HA ASP 113 137.892 -0.175 -6.889 256 1HB ASP 113 2HB ASP 113 137.295 0.463 -9.424 257 2HB ASP 113 1HB ASP 113 138.291 1.859 -9.021 258 H LEU 114 H LEU 114 140.033 1.289 -6.976 259 HA LEU 114 HA LEU 114 139.803 3.042 -4.759 260 1HB LEU 114 2HB LEU 114 142.072 2.406 -6.630 261 2HB LEU 114 1HB LEU 114 142.237 3.528 -5.293 262 HG LEU 114 HG LEU 114 141.126 1.149 -4.230 263 1HD1 LEU 114 1HD1 LEU 114 143.161 0.690 -6.339 264 2HD1 LEU 114 2HD1 LEU 114 141.824 -0.331 -5.810 265 3HD1 LEU 114 3HD1 LEU 114 143.298 -0.236 -4.845 266 1HD2 LEU 114 1HD2 LEU 114 142.487 2.608 -2.936 267 2HD2 LEU 114 2HD2 LEU 114 143.840 2.441 -4.055 268 3HD2 LEU 114 3HD2 LEU 114 143.344 1.072 -3.060 269 H GLU 115 H GLU 115 139.869 3.501 -8.213 270 HA GLU 115 HA GLU 115 140.507 6.267 -8.201 271 1HB GLU 115 2HB GLU 115 139.447 4.322 -10.185 272 2HB GLU 115 1HB GLU 115 139.194 6.031 -10.515 273 1HG GLU 115 2HG GLU 115 141.185 5.422 -11.612 274 2HG GLU 115 1HG GLU 115 141.662 6.352 -10.193 275 H GLU 116 H GLU 116 137.395 4.576 -8.654 276 HA GLU 116 HA GLU 116 135.785 6.857 -8.715 277 1HB GLU 116 2HB GLU 116 135.373 3.967 -8.325 278 2HB GLU 116 1HB GLU 116 134.127 4.986 -7.616 279 1HG GLU 116 2HG GLU 116 133.292 5.568 -9.609 280 2HG GLU 116 1HG GLU 116 134.885 5.713 -10.351 281 H LEU 117 H LEU 117 136.571 4.728 -5.975 282 HA LEU 117 HA LEU 117 135.121 5.954 -3.984 283 1HB LEU 117 2HB LEU 117 136.359 3.881 -3.655 284 2HB LEU 117 1HB LEU 117 137.879 4.746 -3.783 285 HG LEU 117 HG LEU 117 137.434 5.931 -1.714 286 1HD1 LEU 117 1HD1 LEU 117 135.472 5.528 -0.382 287 2HD1 LEU 117 2HD1 LEU 117 134.868 4.360 -1.557 288 3HD1 LEU 117 3HD1 LEU 117 134.979 6.066 -1.989 289 1HD2 LEU 117 1HD2 LEU 117 138.157 3.346 -1.910 290 2HD2 LEU 117 2HD2 LEU 117 136.738 3.193 -0.874 291 3HD2 LEU 117 3HD2 LEU 117 138.079 4.228 -0.385 292 H LYS 118 H LYS 118 138.016 7.079 -5.549 293 HA LYS 118 HA LYS 118 138.844 8.960 -3.617 294 1HB LYS 118 2HB LYS 118 140.166 8.117 -5.612 295 2HB LYS 118 1HB LYS 118 139.220 9.221 -6.599 296 1HG LYS 118 2HG LYS 118 140.340 10.570 -4.306 297 2HG LYS 118 1HG LYS 118 141.591 9.773 -5.263 298 1HD LYS 118 2HD LYS 118 140.186 10.886 -7.247 299 2HD LYS 118 1HD LYS 118 139.808 12.034 -5.961 300 1HE LYS 118 2HE LYS 118 142.351 12.054 -5.534 301 2HE LYS 118 1HE LYS 118 142.475 11.327 -7.135 302 1HZ LYS 118 1HZ LYS 118 141.722 13.217 -8.154 303 2HZ LYS 118 2HZ LYS 118 142.560 13.895 -6.850 304 3HZ LYS 118 3HZ LYS 118 140.874 13.766 -6.795 305 H ILE 119 H ILE 119 136.435 9.054 -6.149 306 HA ILE 119 HA ILE 119 136.039 11.890 -6.051 307 HB ILE 119 HB ILE 119 134.139 9.801 -7.121 308 1HG1 ILE 119 2HG1 ILE 119 135.825 11.299 -9.014 309 2HG1 ILE 119 1HG1 ILE 119 136.708 10.171 -7.991 310 1HG2 ILE 119 1HG2 ILE 119 132.878 11.695 -7.145 311 2HG2 ILE 119 2HG2 ILE 119 133.725 11.909 -8.677 312 3HG2 ILE 119 3HG2 ILE 119 134.280 12.761 -7.237 313 1HD1 ILE 119 1HD1 ILE 119 134.723 8.568 -8.749 314 2HD1 ILE 119 2HD1 ILE 119 136.206 8.767 -9.682 315 3HD1 ILE 119 3HD1 ILE 119 134.752 9.655 -10.137 316 H MET 120 H MET 120 134.349 9.071 -4.719 317 HA MET 120 HA MET 120 132.148 10.306 -3.599 318 1HB MET 120 2HB MET 120 133.039 7.778 -3.629 319 2HB MET 120 1HB MET 120 133.466 8.199 -1.976 320 1HG MET 120 2HG MET 120 130.716 8.482 -3.162 321 2HG MET 120 1HG MET 120 131.258 7.121 -2.185 322 1HE MET 120 1HE MET 120 132.948 9.197 0.396 323 2HE MET 120 2HE MET 120 132.592 7.547 -0.112 324 3HE MET 120 3HE MET 120 131.704 8.266 1.231 325 H LEU 121 H LEU 121 135.447 10.144 -2.389 326 HA LEU 121 HA LEU 121 134.763 11.373 0.133 327 1HB LEU 121 2HB LEU 121 137.281 10.430 -1.169 328 2HB LEU 121 1HB LEU 121 137.392 11.553 0.174 329 HG LEU 121 HG LEU 121 137.653 9.341 1.038 330 1HD1 LEU 121 1HD1 LEU 121 134.837 9.731 1.814 331 2HD1 LEU 121 2HD1 LEU 121 135.907 11.115 2.041 332 3HD1 LEU 121 3HD1 LEU 121 136.282 9.573 2.812 333 1HD2 LEU 121 1HD2 LEU 121 136.721 7.587 0.052 334 2HD2 LEU 121 2HD2 LEU 121 135.782 8.656 -0.988 335 3HD2 LEU 121 3HD2 LEU 121 135.127 8.139 0.565 336 H GLN 122 H GLN 122 135.975 12.372 -2.988 337 HA GLN 122 HA GLN 122 136.885 14.944 -2.213 338 1HB GLN 122 2HB GLN 122 136.124 13.698 -4.839 339 2HB GLN 122 1HB GLN 122 136.510 15.409 -4.738 340 1HG GLN 122 2HG GLN 122 138.528 13.897 -3.394 341 2HG GLN 122 1HG GLN 122 138.276 13.245 -5.012 342 1HE2 GLN 122 1HE2 GLN 122 138.022 15.071 -6.705 343 2HE2 GLN 122 2HE2 GLN 122 139.224 16.311 -6.631 344 H ALA 123 H ALA 123 133.764 13.626 -2.988 345 HA ALA 123 HA ALA 123 132.384 15.972 -3.643 346 1HB ALA 123 1HB ALA 123 131.066 14.192 -4.103 347 2HB ALA 123 2HB ALA 123 130.440 14.533 -2.489 348 3HB ALA 123 3HB ALA 123 131.645 13.266 -2.717 349 H THR 124 H THR 124 133.309 14.610 -0.548 350 HA THR 124 HA THR 124 131.652 16.354 1.008 351 HB THR 124 HB THR 124 132.984 15.511 2.924 352 HG1 THR 124 HG1 THR 124 134.619 14.040 2.552 353 1HG2 THR 124 1HG2 THR 124 132.680 12.924 1.933 354 2HG2 THR 124 2HG2 THR 124 131.425 13.885 1.150 355 3HG2 THR 124 3HG2 THR 124 131.535 13.843 2.910 356 H GLY 125 H GLY 125 132.765 17.738 2.762 357 1HA GLY 125 2HA GLY 125 134.529 19.591 1.346 358 2HA GLY 125 1HA GLY 125 133.643 19.928 2.825 359 H GLU 126 H GLU 126 135.378 16.956 2.692 360 HA GLU 126 HA GLU 126 137.343 18.066 4.572 361 1HB GLU 126 2HB GLU 126 136.750 15.145 4.115 362 2HB GLU 126 1HB GLU 126 137.586 15.877 5.478 363 1HG GLU 126 2HG GLU 126 135.081 17.089 5.436 364 2HG GLU 126 1HG GLU 126 134.776 15.388 5.088 365 H THR 127 H THR 127 139.501 16.832 4.531 366 HA THR 127 HA THR 127 140.343 16.470 1.735 367 HB THR 127 HB THR 127 141.364 18.472 2.309 368 HG1 THR 127 HG1 THR 127 143.477 17.980 2.325 369 1HG2 THR 127 1HG2 THR 127 142.755 18.390 4.595 370 2HG2 THR 127 2HG2 THR 127 141.372 17.389 5.034 371 3HG2 THR 127 3HG2 THR 127 141.121 19.037 4.457 372 H ILE 128 H ILE 128 140.815 14.405 1.379 373 HA ILE 128 HA ILE 128 142.292 12.935 3.463 374 HB ILE 128 HB ILE 128 140.270 11.704 1.589 375 1HG1 ILE 128 2HG1 ILE 128 139.706 11.745 4.481 376 2HG1 ILE 128 1HG1 ILE 128 139.647 13.323 3.704 377 1HG2 ILE 128 1HG2 ILE 128 141.931 10.640 3.852 378 2HG2 ILE 128 2HG2 ILE 128 141.836 10.062 2.189 379 3HG2 ILE 128 3HG2 ILE 128 140.477 9.817 3.285 380 1HD1 ILE 128 1HD1 ILE 128 138.224 11.113 2.357 381 2HD1 ILE 128 2HD1 ILE 128 137.797 12.816 2.510 382 3HD1 ILE 128 3HD1 ILE 128 137.541 11.718 3.866 383 H THR 129 H THR 129 143.982 11.671 2.801 384 HA THR 129 HA THR 129 144.975 12.173 0.126 385 HB THR 129 HB THR 129 146.446 12.315 2.135 386 HG1 THR 129 HG1 THR 129 147.320 10.260 0.403 387 1HG2 THR 129 1HG2 THR 129 146.730 10.677 3.594 388 2HG2 THR 129 2HG2 THR 129 147.023 9.499 2.316 389 3HG2 THR 129 3HG2 THR 129 145.373 9.854 2.826 390 H GLU 130 H GLU 130 146.015 10.305 -1.068 391 HA GLU 130 HA GLU 130 144.030 8.377 -1.662 392 1HB GLU 130 2HB GLU 130 145.849 9.331 -3.199 393 2HB GLU 130 1HB GLU 130 146.923 8.153 -2.460 394 1HG GLU 130 2HG GLU 130 144.448 6.945 -3.341 395 2HG GLU 130 1HG GLU 130 145.291 7.762 -4.656 396 H ASP 131 H ASP 131 146.671 8.419 0.563 397 HA ASP 131 HA ASP 131 147.099 5.642 0.818 398 1HB ASP 131 2HB ASP 131 148.368 7.804 1.785 399 2HB ASP 131 1HB ASP 131 147.445 7.355 3.215 400 H ASP 132 H ASP 132 145.267 7.864 2.926 401 HA ASP 132 HA ASP 132 144.171 5.936 4.603 402 1HB ASP 132 2HB ASP 132 143.199 8.668 3.778 403 2HB ASP 132 1HB ASP 132 142.326 7.681 4.946 404 H ILE 133 H ILE 133 143.075 7.107 1.472 405 HA ILE 133 HA ILE 133 140.551 5.790 1.532 406 HB ILE 133 HB ILE 133 142.104 6.647 -0.911 407 1HG1 ILE 133 2HG1 ILE 133 139.982 8.290 0.447 408 2HG1 ILE 133 1HG1 ILE 133 141.665 8.403 0.954 409 1HG2 ILE 133 1HG2 ILE 133 139.165 6.167 -0.443 410 2HG2 ILE 133 2HG2 ILE 133 140.250 5.193 -1.435 411 3HG2 ILE 133 3HG2 ILE 133 139.857 6.843 -1.918 412 1HD1 ILE 133 1HD1 ILE 133 142.007 9.876 -0.654 413 2HD1 ILE 133 2HD1 ILE 133 140.357 9.663 -1.240 414 3HD1 ILE 133 3HD1 ILE 133 141.649 8.629 -1.848 415 H GLU 134 H GLU 134 143.777 4.862 0.569 416 HA GLU 134 HA GLU 134 143.032 2.550 -0.916 417 1HB GLU 134 2HB GLU 134 145.333 3.941 -0.653 418 2HB GLU 134 1HB GLU 134 145.673 2.591 0.419 419 1HG GLU 134 2HG GLU 134 144.913 1.120 -1.554 420 2HG GLU 134 1HG GLU 134 145.153 2.574 -2.523 421 H GLU 135 H GLU 135 144.274 3.001 2.389 422 HA GLU 135 HA GLU 135 144.220 0.309 3.150 423 1HB GLU 135 2HB GLU 135 144.205 1.165 5.473 424 2HB GLU 135 1HB GLU 135 145.408 1.956 4.464 425 1HG GLU 135 2HG GLU 135 144.044 3.909 4.258 426 2HG GLU 135 1HG GLU 135 142.700 3.112 5.075 427 H LEU 136 H LEU 136 141.694 2.715 3.003 428 HA LEU 136 HA LEU 136 139.787 1.417 4.621 429 1HB LEU 136 2HB LEU 136 139.893 3.817 3.427 430 2HB LEU 136 1HB LEU 136 138.847 2.987 2.291 431 HG LEU 136 HG LEU 136 138.120 2.724 5.147 432 1HD1 LEU 136 1HD1 LEU 136 137.636 5.304 3.669 433 2HD1 LEU 136 2HD1 LEU 136 138.842 5.095 4.938 434 3HD1 LEU 136 3HD1 LEU 136 137.129 4.898 5.307 435 1HD2 LEU 136 1HD2 LEU 136 135.885 3.409 3.874 436 2HD2 LEU 136 2HD2 LEU 136 136.516 1.763 3.858 437 3HD2 LEU 136 3HD2 LEU 136 136.815 2.833 2.489 438 H MET 137 H MET 137 140.736 1.003 1.286 439 HA MET 137 HA MET 137 138.475 -0.651 0.613 440 1HB MET 137 2HB MET 137 141.049 -0.018 -0.832 441 2HB MET 137 1HB MET 137 139.810 -1.078 -1.490 442 1HG MET 137 2HG MET 137 139.435 1.818 -0.762 443 2HG MET 137 1HG MET 137 139.655 1.183 -2.391 444 1HE MET 137 1HE MET 137 137.951 0.366 -3.852 445 2HE MET 137 2HE MET 137 136.359 -0.250 -3.411 446 3HE MET 137 3HE MET 137 137.806 -1.162 -2.982 447 H LYS 138 H LYS 138 141.876 -1.140 1.430 448 HA LYS 138 HA LYS 138 142.044 -3.879 0.920 449 1HB LYS 138 2HB LYS 138 143.936 -2.285 1.472 450 2HB LYS 138 1HB LYS 138 143.475 -2.453 3.162 451 1HG LYS 138 2HG LYS 138 144.991 -4.098 3.161 452 2HG LYS 138 1HG LYS 138 143.690 -5.049 2.443 453 1HD LYS 138 2HD LYS 138 144.755 -3.836 0.249 454 2HD LYS 138 1HD LYS 138 146.186 -4.060 1.256 455 1HE LYS 138 2HE LYS 138 144.233 -6.282 0.730 456 2HE LYS 138 1HE LYS 138 145.580 -5.943 -0.357 457 1HZ LYS 138 1HZ LYS 138 146.295 -6.151 2.438 458 2HZ LYS 138 2HZ LYS 138 147.055 -6.802 1.074 459 3HZ LYS 138 3HZ LYS 138 145.718 -7.586 1.752 460 H ASP 139 H ASP 139 140.523 -2.159 3.517 461 HA ASP 139 HA ASP 139 140.312 -4.533 5.183 462 1HB ASP 139 2HB ASP 139 140.629 -2.053 5.966 463 2HB ASP 139 1HB ASP 139 138.881 -1.965 5.765 464 H GLY 140 H GLY 140 138.837 -3.832 2.456 465 1HA GLY 140 2HA GLY 140 136.199 -4.747 3.423 466 2HA GLY 140 1HA GLY 140 136.377 -3.610 2.095 467 H ASP 141 H ASP 141 138.649 -4.965 0.911 468 HA ASP 141 HA ASP 141 137.189 -6.929 -0.606 469 1HB ASP 141 2HB ASP 141 139.802 -5.539 -0.842 470 2HB ASP 141 1HB ASP 141 139.674 -7.118 -1.612 471 H LYS 142 H LYS 142 136.823 -8.736 0.601 472 HA LYS 142 HA LYS 142 138.813 -9.945 2.251 473 1HB LYS 142 2HB LYS 142 136.174 -10.989 1.214 474 2HB LYS 142 1HB LYS 142 137.184 -11.841 2.376 475 1HG LYS 142 2HG LYS 142 136.029 -9.096 2.813 476 2HG LYS 142 1HG LYS 142 135.310 -10.594 3.402 477 1HD LYS 142 2HD LYS 142 138.107 -9.692 4.080 478 2HD LYS 142 1HD LYS 142 136.697 -9.358 5.086 479 1HE LYS 142 2HE LYS 142 136.951 -12.166 4.322 480 2HE LYS 142 1HE LYS 142 138.309 -11.569 5.274 481 1HZ LYS 142 1HZ LYS 142 137.039 -11.341 7.099 482 2HZ LYS 142 2HZ LYS 142 136.048 -12.479 6.338 483 3HZ LYS 142 3HZ LYS 142 135.674 -10.833 6.240 484 H ASN 143 H ASN 143 137.832 -10.283 -1.074 485 HA ASN 143 HA ASN 143 139.491 -12.668 -1.406 486 1HB ASN 143 2HB ASN 143 138.555 -12.618 -3.759 487 2HB ASN 143 1HB ASN 143 137.376 -12.869 -2.476 488 1HD2 ASN 143 1HD2 ASN 143 135.724 -12.143 -3.844 489 2HD2 ASN 143 2HD2 ASN 143 135.511 -10.463 -4.185 490 H ASN 144 H ASN 144 140.071 -9.474 -1.317 491 HA ASN 144 HA ASN 144 141.662 -8.080 -2.149 492 1HB ASN 144 2HB ASN 144 142.912 -10.787 -2.501 493 2HB ASN 144 1HB ASN 144 143.753 -9.339 -3.046 494 1HD2 ASN 144 1HD2 ASN 144 142.809 -11.246 -0.365 495 2HD2 ASN 144 2HD2 ASN 144 143.584 -10.309 0.861 496 H ASP 145 H ASP 145 139.514 -9.123 -3.979 497 HA ASP 145 HA ASP 145 140.545 -9.474 -6.570 498 1HB ASP 145 2HB ASP 145 138.144 -9.856 -5.625 499 2HB ASP 145 1HB ASP 145 137.889 -8.170 -6.066 500 H GLY 146 H GLY 146 140.372 -6.685 -4.606 501 1HA GLY 146 2HA GLY 146 141.468 -4.665 -5.167 502 2HA GLY 146 1HA GLY 146 141.271 -5.057 -6.868 503 H ARG 147 H ARG 147 138.352 -5.729 -5.621 504 HA ARG 147 HA ARG 147 137.359 -2.984 -5.592 505 1HB ARG 147 2HB ARG 147 136.276 -5.121 -7.437 506 2HB ARG 147 1HB ARG 147 135.589 -3.517 -7.215 507 1HG ARG 147 2HG ARG 147 138.191 -2.963 -7.869 508 2HG ARG 147 1HG ARG 147 137.837 -4.385 -8.852 509 1HD ARG 147 2HD ARG 147 135.610 -3.029 -9.334 510 2HD ARG 147 1HD ARG 147 136.653 -1.661 -8.942 511 HE ARG 147 HE ARG 147 138.073 -3.167 -10.747 512 1HH1 ARG 147 1HH1 ARG 147 134.978 -1.556 -10.716 513 2HH1 ARG 147 2HH1 ARG 147 134.981 -1.246 -12.420 514 1HH2 ARG 147 1HH2 ARG 147 138.080 -2.760 -12.989 515 2HH2 ARG 147 2HH2 ARG 147 136.742 -1.931 -13.710 516 H ILE 148 H ILE 148 135.223 -2.780 -4.696 517 HA ILE 148 HA ILE 148 134.542 -5.045 -2.944 518 HB ILE 148 HB ILE 148 133.858 -2.130 -2.555 519 1HG1 ILE 148 2HG1 ILE 148 135.921 -3.812 -1.115 520 2HG1 ILE 148 1HG1 ILE 148 136.296 -2.636 -2.369 521 1HG2 ILE 148 1HG2 ILE 148 133.543 -4.505 -0.724 522 2HG2 ILE 148 2HG2 ILE 148 132.243 -3.623 -1.526 523 3HG2 ILE 148 3HG2 ILE 148 133.217 -2.826 -0.291 524 1HD1 ILE 148 1HD1 ILE 148 135.011 -2.036 0.284 525 2HD1 ILE 148 2HD1 ILE 148 135.383 -0.857 -0.973 526 3HD1 ILE 148 3HD1 ILE 148 136.688 -1.720 -0.160 527 H ASP 149 H ASP 149 132.661 -6.034 -3.174 528 HA ASP 149 HA ASP 149 130.672 -4.852 -4.984 529 1HB ASP 149 2HB ASP 149 129.758 -7.169 -5.139 530 2HB ASP 149 1HB ASP 149 131.422 -7.038 -5.700 531 H TYR 150 H TYR 150 128.346 -5.623 -4.416 532 HA TYR 150 HA TYR 150 127.582 -4.363 -2.048 533 1HB TYR 150 2HB TYR 150 126.066 -4.705 -3.965 534 2HB TYR 150 1HB TYR 150 126.030 -6.431 -3.623 535 HD1 TYR 150 HD1 TYR 150 125.612 -3.323 -1.572 536 HD2 TYR 150 HD2 TYR 150 124.025 -7.103 -2.713 537 HE1 TYR 150 HE1 TYR 150 123.706 -2.974 -0.055 538 HE2 TYR 150 HE2 TYR 150 122.114 -6.762 -1.199 539 HH TYR 150 HH TYR 150 121.322 -3.805 0.127 540 H ASP 151 H ASP 151 128.632 -7.607 -2.604 541 HA ASP 151 HA ASP 151 127.507 -8.690 -0.192 542 1HB ASP 151 2HB ASP 151 128.678 -9.749 -2.504 543 2HB ASP 151 1HB ASP 151 129.798 -10.159 -1.208 544 H GLU 152 H GLU 152 130.807 -7.866 -1.243 545 HA GLU 152 HA GLU 152 131.996 -8.282 1.286 546 1HB GLU 152 2HB GLU 152 132.992 -6.505 -0.947 547 2HB GLU 152 1HB GLU 152 133.953 -7.194 0.356 548 1HG GLU 152 2HG GLU 152 133.341 -9.461 -0.528 549 2HG GLU 152 1HG GLU 152 132.641 -8.645 -1.925 550 H PHE 153 H PHE 153 130.616 -5.426 -0.271 551 HA PHE 153 HA PHE 153 131.523 -3.588 1.704 552 1HB PHE 153 2HB PHE 153 130.118 -3.441 -0.755 553 2HB PHE 153 1HB PHE 153 129.123 -2.645 0.457 554 HD1 PHE 153 HD1 PHE 153 131.325 -1.583 2.208 555 HD2 PHE 153 HD2 PHE 153 130.842 -1.610 -2.020 556 HE1 PHE 153 HE1 PHE 153 132.733 0.428 2.039 557 HE2 PHE 153 HE2 PHE 153 132.249 0.400 -2.196 558 HZ PHE 153 HZ PHE 153 133.198 1.421 -0.166 559 H LEU 154 H LEU 154 128.828 -5.756 1.500 560 HA LEU 154 HA LEU 154 127.073 -4.518 3.305 561 1HB LEU 154 2HB LEU 154 127.081 -6.842 1.816 562 2HB LEU 154 1HB LEU 154 127.106 -7.435 3.465 563 HG LEU 154 HG LEU 154 124.826 -7.302 2.720 564 1HD1 LEU 154 1HD1 LEU 154 124.019 -5.413 4.330 565 2HD1 LEU 154 2HD1 LEU 154 125.726 -5.332 4.769 566 3HD1 LEU 154 3HD1 LEU 154 124.834 -6.839 4.972 567 1HD2 LEU 154 1HD2 LEU 154 124.850 -4.362 2.410 568 2HD2 LEU 154 2HD2 LEU 154 123.888 -5.583 1.580 569 3HD2 LEU 154 3HD2 LEU 154 125.563 -5.309 1.105 570 H GLU 155 H GLU 155 129.719 -6.816 3.832 571 HA GLU 155 HA GLU 155 129.296 -7.028 6.642 572 1HB GLU 155 2HB GLU 155 131.587 -7.766 4.831 573 2HB GLU 155 1HB GLU 155 131.675 -7.981 6.575 574 1HG GLU 155 2HG GLU 155 129.344 -9.115 5.124 575 2HG GLU 155 1HG GLU 155 130.905 -9.921 4.981 576 H PHE 156 H PHE 156 131.194 -4.927 4.587 577 HA PHE 156 HA PHE 156 132.958 -3.857 6.455 578 1HB PHE 156 2HB PHE 156 132.496 -3.441 3.812 579 2HB PHE 156 1HB PHE 156 131.849 -1.950 4.489 580 HD1 PHE 156 HD1 PHE 156 133.694 -1.542 6.768 581 HD2 PHE 156 HD2 PHE 156 134.455 -2.764 2.765 582 HE1 PHE 156 HE1 PHE 156 135.969 -0.621 6.926 583 HE2 PHE 156 HE2 PHE 156 136.733 -1.846 2.915 584 HZ PHE 156 HZ PHE 156 137.493 -0.774 4.997 585 H MET 157 H MET 157 129.606 -3.018 5.754 586 HA MET 157 HA MET 157 129.678 -0.967 7.845 587 1HB MET 157 2HB MET 157 128.231 -1.280 5.373 588 2HB MET 157 1HB MET 157 127.103 -1.070 6.705 589 1HG MET 157 2HG MET 157 127.429 1.108 6.453 590 2HG MET 157 1HG MET 157 129.004 0.850 7.199 591 1HE MET 157 1HE MET 157 130.704 -0.592 5.408 592 2HE MET 157 2HE MET 157 131.378 1.001 5.745 593 3HE MET 157 3HE MET 157 131.312 0.406 4.088 594 H LYS 158 H LYS 158 129.160 -4.188 7.722 595 HA LYS 158 HA LYS 158 126.906 -4.188 9.597 596 1HB LYS 158 2HB LYS 158 126.982 -5.757 7.597 597 2HB LYS 158 1HB LYS 158 128.294 -6.592 8.414 598 1HG LYS 158 2HG LYS 158 126.861 -7.748 9.642 599 2HG LYS 158 1HG LYS 158 126.088 -6.268 10.212 600 1HD LYS 158 2HD LYS 158 124.453 -6.340 8.604 601 2HD LYS 158 1HD LYS 158 125.465 -7.226 7.462 602 1HE LYS 158 2HE LYS 158 124.480 -9.115 8.086 603 2HE LYS 158 1HE LYS 158 125.110 -8.890 9.717 604 1HZ LYS 158 1HZ LYS 158 123.157 -7.886 10.417 605 2HZ LYS 158 2HZ LYS 158 122.598 -9.124 9.409 606 3HZ LYS 158 3HZ LYS 158 122.639 -7.530 8.845 607 H GLY 159 H GLY 159 129.321 -3.097 10.487 608 1HA GLY 159 2HA GLY 159 130.046 -3.406 12.810 609 2HA GLY 159 1HA GLY 159 130.178 -5.126 12.458 610 H VAL 160 H VAL 160 131.970 -2.433 12.935 611 HA VAL 160 HA VAL 160 134.183 -3.524 11.340 612 HB VAL 160 HB VAL 160 134.313 -0.616 11.688 613 1HG1 VAL 160 1HG1 VAL 160 134.855 -2.642 9.571 614 2HG1 VAL 160 2HG1 VAL 160 135.936 -1.450 10.294 615 3HG1 VAL 160 3HG1 VAL 160 134.718 -0.943 9.123 616 1HG2 VAL 160 1HG2 VAL 160 132.079 -1.837 10.085 617 2HG2 VAL 160 2HG2 VAL 160 132.738 -0.240 9.725 618 3HG2 VAL 160 3HG2 VAL 160 131.991 -0.554 11.292 619 H GLU 161 H GLU 161 133.737 -4.112 14.013 620 HA GLU 161 HA GLU 161 135.271 -2.356 15.695 621 1HB GLU 161 2HB GLU 161 134.281 -5.170 16.196 622 2HB GLU 161 1HB GLU 161 134.959 -4.096 17.412 623 1HG GLU 161 2HG GLU 161 132.883 -3.447 17.828 624 2HG GLU 161 1HG GLU 161 132.931 -2.604 16.279 Start of MODEL 7 1 1H MET 81 1HT MET 81 96.880 -1.419 8.182 2 2H MET 81 2HT MET 81 98.036 -2.540 7.588 3 3H MET 81 3HT MET 81 98.277 -1.782 9.108 4 HA MET 81 HA MET 81 97.493 -4.122 9.142 5 1HB MET 81 2HB MET 81 96.760 -1.783 10.649 6 2HB MET 81 1HB MET 81 95.434 -2.937 10.682 7 1HG MET 81 2HG MET 81 96.564 -3.738 12.451 8 2HG MET 81 1HG MET 81 97.464 -4.597 11.201 9 1HE MET 81 1HE MET 81 98.750 -4.943 13.248 10 2HE MET 81 2HE MET 81 99.632 -3.727 14.170 11 3HE MET 81 3HE MET 81 100.371 -4.461 12.748 12 H VAL 82 H VAL 82 96.285 -5.458 7.979 13 HA VAL 82 HA VAL 82 93.563 -4.628 7.241 14 HB VAL 82 HB VAL 82 95.378 -6.185 5.398 15 1HG1 VAL 82 1HG1 VAL 82 93.451 -5.176 3.831 16 2HG1 VAL 82 2HG1 VAL 82 92.549 -5.334 5.339 17 3HG1 VAL 82 3HG1 VAL 82 93.327 -6.746 4.625 18 1HG2 VAL 82 1HG2 VAL 82 96.054 -3.768 5.821 19 2HG2 VAL 82 2HG2 VAL 82 94.546 -3.320 5.022 20 3HG2 VAL 82 3HG2 VAL 82 95.774 -4.233 4.143 21 H ARG 83 H ARG 83 95.828 -7.350 7.526 22 HA ARG 83 HA ARG 83 93.699 -8.940 8.733 23 1HB ARG 83 2HB ARG 83 95.403 -10.116 6.541 24 2HB ARG 83 1HB ARG 83 93.977 -10.814 7.301 25 1HG ARG 83 2HG ARG 83 92.591 -9.069 6.278 26 2HG ARG 83 1HG ARG 83 94.025 -8.406 5.492 27 1HD ARG 83 2HD ARG 83 94.218 -10.184 4.040 28 2HD ARG 83 1HD ARG 83 93.355 -11.287 5.111 29 HE ARG 83 HE ARG 83 91.456 -9.492 4.411 30 1HH1 ARG 83 1HH1 ARG 83 93.683 -11.457 2.578 31 2HH1 ARG 83 2HH1 ARG 83 92.628 -11.599 1.212 32 1HH2 ARG 83 1HH2 ARG 83 90.067 -9.678 2.615 33 2HH2 ARG 83 2HH2 ARG 83 90.576 -10.590 1.233 34 H CYS 84 H CYS 84 97.016 -9.466 7.521 35 HA CYS 84 HA CYS 84 97.955 -9.859 10.249 36 1HB CYS 84 2HB CYS 84 97.134 -12.075 8.982 37 2HB CYS 84 1HB CYS 84 98.769 -11.984 8.335 38 HG CYS 84 HG CYS 84 99.720 -12.517 10.584 39 H MET 85 H MET 85 98.937 -10.241 6.840 40 HA MET 85 HA MET 85 101.624 -9.388 7.404 41 1HB MET 85 2HB MET 85 100.209 -9.856 4.772 42 2HB MET 85 1HB MET 85 101.931 -9.549 4.950 43 1HG MET 85 2HG MET 85 100.461 -11.895 6.129 44 2HG MET 85 1HG MET 85 101.410 -11.928 4.645 45 1HE MET 85 1HE MET 85 101.874 -13.102 8.346 46 2HE MET 85 2HE MET 85 103.206 -13.938 7.551 47 3HE MET 85 3HE MET 85 101.624 -13.868 6.777 48 H LYS 86 H LYS 86 102.521 -7.672 5.729 49 HA LYS 86 HA LYS 86 102.693 -5.465 5.210 50 1HB LYS 86 2HB LYS 86 99.878 -6.148 4.621 51 2HB LYS 86 1HB LYS 86 100.224 -4.432 4.783 52 1HG LYS 86 2HG LYS 86 102.209 -5.026 3.155 53 2HG LYS 86 1HG LYS 86 101.147 -6.371 2.733 54 1HD LYS 86 2HD LYS 86 99.334 -4.479 2.576 55 2HD LYS 86 1HD LYS 86 100.743 -3.439 2.358 56 1HE LYS 86 2HE LYS 86 100.577 -3.971 0.191 57 2HE LYS 86 1HE LYS 86 101.286 -5.516 0.661 58 1HZ LYS 86 1HZ LYS 86 98.856 -6.182 1.103 59 2HZ LYS 86 2HZ LYS 86 99.401 -6.130 -0.496 60 3HZ LYS 86 3HZ LYS 86 98.465 -4.863 0.118 61 H ASP 87 H ASP 87 103.256 -5.443 7.609 62 HA ASP 87 HA ASP 87 101.398 -3.649 9.030 63 1HB ASP 87 2HB ASP 87 103.239 -5.785 10.107 64 2HB ASP 87 1HB ASP 87 102.528 -4.540 11.130 65 H ASP 88 H ASP 88 104.832 -4.578 9.300 66 HA ASP 88 HA ASP 88 105.696 -2.093 10.258 67 1HB ASP 88 2HB ASP 88 106.876 -4.460 10.122 68 2HB ASP 88 1HB ASP 88 107.556 -3.784 8.646 69 H SER 89 H SER 89 107.508 -0.853 9.016 70 HA SER 89 HA SER 89 106.374 -0.091 6.414 71 1HB SER 89 2HB SER 89 106.761 1.511 8.539 72 2HB SER 89 1HB SER 89 108.340 1.678 7.773 73 HG SER 89 HG SER 89 107.455 2.863 6.287 74 H LYS 90 H LYS 90 108.837 1.490 5.823 75 HA LYS 90 HA LYS 90 110.281 -0.620 4.498 76 1HB LYS 90 2HB LYS 90 109.759 1.709 3.556 77 2HB LYS 90 1HB LYS 90 111.069 2.288 4.576 78 1HG LYS 90 2HG LYS 90 112.306 1.913 2.744 79 2HG LYS 90 1HG LYS 90 112.308 0.248 3.331 80 1HD LYS 90 2HD LYS 90 109.987 0.988 1.682 81 2HD LYS 90 1HD LYS 90 111.536 1.002 0.839 82 1HE LYS 90 2HE LYS 90 110.524 -1.307 2.491 83 2HE LYS 90 1HE LYS 90 110.326 -1.181 0.743 84 1HZ LYS 90 1HZ LYS 90 112.805 -0.992 0.624 85 2HZ LYS 90 2HZ LYS 90 112.229 -2.499 1.132 86 3HZ LYS 90 3HZ LYS 90 112.861 -1.412 2.263 87 H GLY 91 H GLY 91 110.889 -1.618 6.612 88 1HA GLY 91 2HA GLY 91 112.593 -0.466 8.477 89 2HA GLY 91 1HA GLY 91 112.535 -2.182 8.107 90 H LYS 92 H LYS 92 114.761 -0.218 8.705 91 HA LYS 92 HA LYS 92 116.331 -0.373 6.250 92 1HB LYS 92 2HB LYS 92 116.967 0.882 8.927 93 2HB LYS 92 1HB LYS 92 117.992 0.968 7.502 94 1HG LYS 92 2HG LYS 92 116.799 2.623 6.603 95 2HG LYS 92 1HG LYS 92 115.262 1.857 7.007 96 1HD LYS 92 2HD LYS 92 116.848 3.016 9.233 97 2HD LYS 92 1HD LYS 92 116.055 4.139 8.127 98 1HE LYS 92 2HE LYS 92 113.937 3.416 8.701 99 2HE LYS 92 1HE LYS 92 114.514 1.849 9.266 100 1HZ LYS 92 1HZ LYS 92 114.084 2.892 11.235 101 2HZ LYS 92 2HZ LYS 92 114.484 4.430 10.658 102 3HZ LYS 92 3HZ LYS 92 115.707 3.326 11.038 103 H THR 93 H THR 93 116.701 -2.605 6.123 104 HA THR 93 HA THR 93 118.414 -3.719 8.242 105 HB THR 93 HB THR 93 117.611 -5.893 7.687 106 HG1 THR 93 HG1 THR 93 116.671 -6.376 5.840 107 1HG2 THR 93 1HG2 THR 93 115.000 -5.410 7.498 108 2HG2 THR 93 2HG2 THR 93 115.543 -3.814 8.012 109 3HG2 THR 93 3HG2 THR 93 115.906 -5.228 9.000 110 H GLU 94 H GLU 94 119.266 -5.960 6.647 111 HA GLU 94 HA GLU 94 121.503 -4.779 5.348 112 1HB GLU 94 2HB GLU 94 120.557 -7.491 5.978 113 2HB GLU 94 1HB GLU 94 121.537 -7.381 4.522 114 1HG GLU 94 2HG GLU 94 123.409 -7.118 5.685 115 2HG GLU 94 1HG GLU 94 122.687 -5.892 6.726 116 H GLU 95 H GLU 95 118.365 -5.191 4.301 117 HA GLU 95 HA GLU 95 119.023 -5.741 1.525 118 1HB GLU 95 2HB GLU 95 116.867 -6.420 2.963 119 2HB GLU 95 1HB GLU 95 116.284 -4.896 2.307 120 1HG GLU 95 2HG GLU 95 116.763 -5.712 0.040 121 2HG GLU 95 1HG GLU 95 117.284 -7.252 0.721 122 H GLU 96 H GLU 96 118.131 -3.045 3.566 123 HA GLU 96 HA GLU 96 117.592 -1.221 1.437 124 1HB GLU 96 2HB GLU 96 117.512 0.481 3.137 125 2HB GLU 96 1HB GLU 96 116.709 -0.958 3.751 126 1HG GLU 96 2HG GLU 96 118.059 -1.029 5.498 127 2HG GLU 96 1HG GLU 96 119.480 -1.036 4.454 128 H LEU 97 H LEU 97 120.455 -2.333 3.019 129 HA LEU 97 HA LEU 97 122.162 -0.160 2.531 130 1HB LEU 97 2HB LEU 97 122.437 -2.977 3.282 131 2HB LEU 97 1HB LEU 97 123.805 -2.353 2.382 132 HG LEU 97 HG LEU 97 122.711 -1.089 4.893 133 1HD1 LEU 97 1HD1 LEU 97 125.326 -2.502 4.783 134 2HD1 LEU 97 2HD1 LEU 97 123.853 -3.457 4.955 135 3HD1 LEU 97 3HD1 LEU 97 124.248 -2.221 6.150 136 1HD2 LEU 97 1HD2 LEU 97 125.428 -0.616 3.758 137 2HD2 LEU 97 2HD2 LEU 97 124.439 0.423 4.784 138 3HD2 LEU 97 3HD2 LEU 97 124.042 0.236 3.076 139 H SER 98 H SER 98 120.729 -2.354 0.348 140 HA SER 98 HA SER 98 122.764 -2.419 -1.632 141 1HB SER 98 2HB SER 98 121.082 -3.353 -3.089 142 2HB SER 98 1HB SER 98 120.858 -4.043 -1.481 143 HG SER 98 HG SER 98 119.107 -2.732 -1.165 144 H ASP 99 H ASP 99 120.101 -0.246 -0.929 145 HA ASP 99 HA ASP 99 120.194 1.201 -3.367 146 1HB ASP 99 2HB ASP 99 118.439 1.133 -1.329 147 2HB ASP 99 1HB ASP 99 119.311 2.602 -0.904 148 H LEU 100 H LEU 100 121.781 1.588 -0.243 149 HA LEU 100 HA LEU 100 123.008 4.086 -0.947 150 1HB LEU 100 2HB LEU 100 123.301 2.177 1.350 151 2HB LEU 100 1HB LEU 100 124.404 3.525 1.154 152 HG LEU 100 HG LEU 100 122.106 4.876 0.995 153 1HD1 LEU 100 1HD1 LEU 100 121.363 2.818 3.027 154 2HD1 LEU 100 2HD1 LEU 100 120.942 2.578 1.331 155 3HD1 LEU 100 3HD1 LEU 100 120.346 3.995 2.196 156 1HD2 LEU 100 1HD2 LEU 100 123.740 5.522 2.549 157 2HD2 LEU 100 2HD2 LEU 100 123.640 3.994 3.421 158 3HD2 LEU 100 3HD2 LEU 100 122.315 5.153 3.522 159 H PHE 101 H PHE 101 123.671 0.855 -1.700 160 HA PHE 101 HA PHE 101 126.501 0.902 -1.708 161 1HB PHE 101 2HB PHE 101 125.195 -1.187 -1.764 162 2HB PHE 101 1HB PHE 101 124.622 -0.781 -3.377 163 HD1 PHE 101 HD1 PHE 101 127.493 -1.877 -1.391 164 HD2 PHE 101 HD2 PHE 101 126.053 -1.000 -5.298 165 HE1 PHE 101 HE1 PHE 101 129.459 -2.995 -2.362 166 HE2 PHE 101 HE2 PHE 101 128.015 -2.118 -6.277 167 HZ PHE 101 HZ PHE 101 129.720 -3.117 -4.807 168 H ARG 102 H ARG 102 124.074 1.612 -4.195 169 HA ARG 102 HA ARG 102 125.822 1.959 -6.350 170 1HB ARG 102 2HB ARG 102 123.976 3.464 -7.253 171 2HB ARG 102 1HB ARG 102 123.523 1.812 -6.856 172 1HG ARG 102 2HG ARG 102 122.245 2.441 -5.070 173 2HG ARG 102 1HG ARG 102 123.172 3.916 -4.785 174 1HD ARG 102 2HD ARG 102 122.199 4.579 -7.139 175 2HD ARG 102 1HD ARG 102 120.963 3.395 -6.715 176 HE ARG 102 HE ARG 102 121.474 5.330 -4.650 177 1HH1 ARG 102 1HH1 ARG 102 119.649 4.646 -7.546 178 2HH1 ARG 102 2HH1 ARG 102 118.377 5.757 -7.156 179 1HH2 ARG 102 1HH2 ARG 102 119.803 6.787 -4.136 180 2HH2 ARG 102 2HH2 ARG 102 118.464 6.971 -5.220 181 H MET 103 H MET 103 124.961 4.092 -3.718 182 HA MET 103 HA MET 103 125.818 6.534 -4.754 183 1HB MET 103 2HB MET 103 125.641 5.418 -1.977 184 2HB MET 103 1HB MET 103 126.367 6.995 -2.242 185 1HG MET 103 2HG MET 103 124.233 7.607 -3.469 186 2HG MET 103 1HG MET 103 123.549 6.131 -2.791 187 1HE MET 103 1HE MET 103 122.207 8.486 -2.624 188 2HE MET 103 2HE MET 103 122.484 9.674 -1.350 189 3HE MET 103 3HE MET 103 121.572 8.205 -1.003 190 H PHE 104 H PHE 104 127.625 3.842 -3.465 191 HA PHE 104 HA PHE 104 130.108 5.281 -3.279 192 1HB PHE 104 2HB PHE 104 129.161 2.547 -2.717 193 2HB PHE 104 1HB PHE 104 130.834 2.654 -3.251 194 HD1 PHE 104 HD1 PHE 104 128.443 3.959 -0.738 195 HD2 PHE 104 HD2 PHE 104 132.518 3.311 -1.779 196 HE1 PHE 104 HE1 PHE 104 129.122 4.605 1.538 197 HE2 PHE 104 HE2 PHE 104 133.205 3.956 0.495 198 HZ PHE 104 HZ PHE 104 131.506 4.603 2.155 199 H ASP 105 H ASP 105 128.370 3.712 -5.779 200 HA ASP 105 HA ASP 105 130.767 3.377 -7.423 201 1HB ASP 105 2HB ASP 105 128.326 1.952 -7.208 202 2HB ASP 105 1HB ASP 105 128.356 2.676 -8.813 203 H LYS 106 H LYS 106 131.043 4.423 -9.394 204 HA LYS 106 HA LYS 106 129.293 6.757 -9.815 205 1HB LYS 106 2HB LYS 106 132.263 6.418 -10.102 206 2HB LYS 106 1HB LYS 106 131.416 7.672 -10.999 207 1HG LYS 106 2HG LYS 106 130.828 7.553 -8.118 208 2HG LYS 106 1HG LYS 106 132.476 8.018 -8.550 209 1HD LYS 106 2HD LYS 106 131.828 10.005 -9.386 210 2HD LYS 106 1HD LYS 106 130.372 9.334 -10.123 211 1HE LYS 106 2HE LYS 106 129.532 10.756 -8.489 212 2HE LYS 106 1HE LYS 106 129.489 9.176 -7.708 213 1HZ LYS 106 1HZ LYS 106 131.074 9.759 -6.239 214 2HZ LYS 106 2HZ LYS 106 130.551 11.330 -6.584 215 3HZ LYS 106 3HZ LYS 106 131.930 10.713 -7.345 216 H ASN 107 H ASN 107 131.337 4.364 -11.459 217 HA ASN 107 HA ASN 107 130.247 5.044 -14.045 218 1HB ASN 107 2HB ASN 107 131.674 3.179 -14.858 219 2HB ASN 107 1HB ASN 107 132.569 4.373 -13.923 220 1HD2 ASN 107 1HD2 ASN 107 133.985 2.335 -14.007 221 2HD2 ASN 107 2HD2 ASN 107 133.844 1.278 -12.649 222 H ALA 108 H ALA 108 128.988 3.374 -11.521 223 HA ALA 108 HA ALA 108 127.403 1.758 -11.259 224 1HB ALA 108 1HB ALA 108 125.648 1.725 -13.033 225 2HB ALA 108 2HB ALA 108 126.668 2.801 -13.989 226 3HB ALA 108 3HB ALA 108 126.038 3.337 -12.430 227 H ASP 109 H ASP 109 129.596 0.439 -11.663 228 HA ASP 109 HA ASP 109 129.152 -1.433 -13.883 229 1HB ASP 109 2HB ASP 109 131.526 -2.171 -13.336 230 2HB ASP 109 1HB ASP 109 131.349 -0.550 -14.004 231 H GLY 110 H GLY 110 128.745 -1.140 -10.542 232 1HA GLY 110 2HA GLY 110 127.592 -2.835 -9.316 233 2HA GLY 110 1HA GLY 110 128.347 -4.046 -10.342 234 H TYR 111 H TYR 111 130.860 -2.157 -9.792 235 HA TYR 111 HA TYR 111 131.471 -3.157 -7.108 236 1HB TYR 111 2HB TYR 111 133.307 -3.513 -9.487 237 2HB TYR 111 1HB TYR 111 133.651 -3.990 -7.828 238 HD1 TYR 111 HD1 TYR 111 131.342 -4.644 -10.667 239 HD2 TYR 111 HD2 TYR 111 133.037 -6.112 -7.051 240 HE1 TYR 111 HE1 TYR 111 130.346 -6.849 -11.102 241 HE2 TYR 111 HE2 TYR 111 132.046 -8.321 -7.476 242 HH TYR 111 HH TYR 111 129.760 -9.038 -9.062 243 H ILE 112 H ILE 112 133.203 -2.036 -6.053 244 HA ILE 112 HA ILE 112 133.621 0.661 -7.156 245 HB ILE 112 HB ILE 112 133.931 -0.162 -4.272 246 1HG1 ILE 112 2HG1 ILE 112 131.640 1.477 -4.637 247 2HG1 ILE 112 1HG1 ILE 112 131.523 0.159 -5.798 248 1HG2 ILE 112 1HG2 ILE 112 134.398 1.992 -3.810 249 2HG2 ILE 112 2HG2 ILE 112 133.284 2.608 -5.030 250 3HG2 ILE 112 3HG2 ILE 112 134.884 2.037 -5.504 251 1HD1 ILE 112 1HD1 ILE 112 132.323 -0.817 -3.210 252 2HD1 ILE 112 2HD1 ILE 112 130.944 -1.270 -4.213 253 3HD1 ILE 112 3HD1 ILE 112 130.822 0.104 -3.115 254 H ASP 113 H ASP 113 135.626 1.411 -7.519 255 HA ASP 113 HA ASP 113 137.875 -0.355 -6.813 256 1HB ASP 113 2HB ASP 113 139.047 0.822 -8.736 257 2HB ASP 113 1HB ASP 113 137.716 -0.241 -9.182 258 H LEU 114 H LEU 114 140.029 1.004 -6.865 259 HA LEU 114 HA LEU 114 139.905 2.764 -4.655 260 1HB LEU 114 2HB LEU 114 142.062 1.933 -6.558 261 2HB LEU 114 1HB LEU 114 142.350 3.234 -5.420 262 HG LEU 114 HG LEU 114 141.392 1.352 -3.735 263 1HD1 LEU 114 1HD1 LEU 114 142.372 -0.047 -6.149 264 2HD1 LEU 114 2HD1 LEU 114 141.169 -0.540 -4.958 265 3HD1 LEU 114 3HD1 LEU 114 142.887 -0.685 -4.588 266 1HD2 LEU 114 1HD2 LEU 114 143.384 2.490 -3.237 267 2HD2 LEU 114 2HD2 LEU 114 144.193 1.886 -4.683 268 3HD2 LEU 114 3HD2 LEU 114 143.847 0.791 -3.344 269 H GLU 115 H GLU 115 139.902 3.255 -8.111 270 HA GLU 115 HA GLU 115 140.590 6.009 -8.081 271 1HB GLU 115 2HB GLU 115 140.797 4.606 -10.089 272 2HB GLU 115 1HB GLU 115 139.049 4.430 -10.147 273 1HG GLU 115 2HG GLU 115 139.371 6.086 -11.685 274 2HG GLU 115 1HG GLU 115 139.077 7.037 -10.230 275 H GLU 116 H GLU 116 137.615 4.263 -7.605 276 HA GLU 116 HA GLU 116 136.002 6.674 -7.851 277 1HB GLU 116 2HB GLU 116 135.519 3.889 -8.117 278 2HB GLU 116 1HB GLU 116 134.512 4.471 -6.799 279 1HG GLU 116 2HG GLU 116 133.166 5.622 -8.166 280 2HG GLU 116 1HG GLU 116 134.498 6.175 -9.180 281 H LEU 117 H LEU 117 136.994 4.358 -5.368 282 HA LEU 117 HA LEU 117 135.542 5.304 -3.213 283 1HB LEU 117 2HB LEU 117 136.995 3.261 -3.280 284 2HB LEU 117 1HB LEU 117 138.387 4.311 -3.091 285 HG LEU 117 HG LEU 117 137.548 5.047 -0.906 286 1HD1 LEU 117 1HD1 LEU 117 135.651 3.364 -0.064 287 2HD1 LEU 117 2HD1 LEU 117 135.191 3.487 -1.762 288 3HD1 LEU 117 3HD1 LEU 117 135.294 4.940 -0.768 289 1HD2 LEU 117 1HD2 LEU 117 139.051 3.115 -1.055 290 2HD2 LEU 117 2HD2 LEU 117 137.653 2.045 -1.172 291 3HD2 LEU 117 3HD2 LEU 117 137.931 2.974 0.301 292 H LYS 118 H LYS 118 138.260 6.743 -4.809 293 HA LYS 118 HA LYS 118 138.851 8.560 -2.638 294 1HB LYS 118 2HB LYS 118 140.514 9.511 -4.163 295 2HB LYS 118 1HB LYS 118 140.664 7.762 -4.064 296 1HG LYS 118 2HG LYS 118 139.423 7.568 -6.188 297 2HG LYS 118 1HG LYS 118 139.386 9.329 -6.295 298 1HD LYS 118 2HD LYS 118 142.044 8.144 -5.848 299 2HD LYS 118 1HD LYS 118 141.303 7.774 -7.408 300 1HE LYS 118 2HE LYS 118 140.803 10.400 -7.305 301 2HE LYS 118 1HE LYS 118 142.264 10.353 -6.319 302 1HZ LYS 118 1HZ LYS 118 143.099 10.630 -8.428 303 2HZ LYS 118 2HZ LYS 118 141.920 9.662 -9.158 304 3HZ LYS 118 3HZ LYS 118 143.171 8.947 -8.272 305 H ILE 119 H ILE 119 136.844 8.507 -5.453 306 HA ILE 119 HA ILE 119 136.610 11.290 -5.884 307 HB ILE 119 HB ILE 119 134.505 9.204 -6.458 308 1HG1 ILE 119 2HG1 ILE 119 136.852 10.096 -8.149 309 2HG1 ILE 119 1HG1 ILE 119 136.648 8.510 -7.413 310 1HG2 ILE 119 1HG2 ILE 119 135.070 11.841 -7.808 311 2HG2 ILE 119 2HG2 ILE 119 133.797 11.568 -6.617 312 3HG2 ILE 119 3HG2 ILE 119 133.749 10.729 -8.168 313 1HD1 ILE 119 1HD1 ILE 119 134.354 8.777 -8.876 314 2HD1 ILE 119 2HD1 ILE 119 135.806 7.914 -9.385 315 3HD1 ILE 119 3HD1 ILE 119 135.554 9.586 -9.885 316 H MET 120 H MET 120 134.358 9.036 -4.273 317 HA MET 120 HA MET 120 132.567 10.937 -3.323 318 1HB MET 120 2HB MET 120 131.873 9.233 -1.693 319 2HB MET 120 1HB MET 120 132.077 8.552 -3.300 320 1HG MET 120 2HG MET 120 133.819 7.257 -2.686 321 2HG MET 120 1HG MET 120 134.422 8.430 -1.517 322 1HE MET 120 1HE MET 120 134.574 8.146 0.518 323 2HE MET 120 2HE MET 120 134.598 6.424 0.903 324 3HE MET 120 3HE MET 120 133.427 7.487 1.684 325 H LEU 121 H LEU 121 135.689 9.988 -2.097 326 HA LEU 121 HA LEU 121 135.358 11.181 0.485 327 1HB LEU 121 2HB LEU 121 137.427 9.730 -0.958 328 2HB LEU 121 1HB LEU 121 138.088 11.047 -0.008 329 HG LEU 121 HG LEU 121 136.386 8.782 1.039 330 1HD1 LEU 121 1HD1 LEU 121 138.434 7.804 0.787 331 2HD1 LEU 121 2HD1 LEU 121 138.636 8.530 2.383 332 3HD1 LEU 121 3HD1 LEU 121 139.308 9.326 0.959 333 1HD2 LEU 121 1HD2 LEU 121 136.691 11.373 2.068 334 2HD2 LEU 121 2HD2 LEU 121 137.736 10.339 3.043 335 3HD2 LEU 121 3HD2 LEU 121 136.020 9.961 2.884 336 H GLN 122 H GLN 122 136.747 12.189 -2.595 337 HA GLN 122 HA GLN 122 137.885 14.609 -1.674 338 1HB GLN 122 2HB GLN 122 137.074 13.581 -4.378 339 2HB GLN 122 1HB GLN 122 137.642 15.233 -4.181 340 1HG GLN 122 2HG GLN 122 139.421 13.391 -2.873 341 2HG GLN 122 1HG GLN 122 139.175 12.933 -4.558 342 1HE2 GLN 122 1HE2 GLN 122 139.999 14.192 -6.164 343 2HE2 GLN 122 2HE2 GLN 122 141.022 15.555 -5.884 344 H ALA 123 H ALA 123 134.668 13.702 -2.664 345 HA ALA 123 HA ALA 123 133.631 16.285 -3.132 346 1HB ALA 123 1HB ALA 123 132.401 13.632 -2.494 347 2HB ALA 123 2HB ALA 123 132.317 14.576 -3.983 348 3HB ALA 123 3HB ALA 123 131.408 15.088 -2.561 349 H THR 124 H THR 124 134.381 14.578 -0.222 350 HA THR 124 HA THR 124 132.605 15.859 1.550 351 HB THR 124 HB THR 124 133.981 15.020 3.309 352 HG1 THR 124 HG1 THR 124 136.098 14.250 2.860 353 1HG2 THR 124 1HG2 THR 124 133.205 13.342 1.199 354 2HG2 THR 124 2HG2 THR 124 133.500 12.910 2.884 355 3HG2 THR 124 3HG2 THR 124 134.810 12.815 1.706 356 H GLY 125 H GLY 125 134.071 17.010 3.541 357 1HA GLY 125 2HA GLY 125 135.082 19.446 2.214 358 2HA GLY 125 1HA GLY 125 134.261 19.430 3.768 359 H GLU 126 H GLU 126 136.333 16.807 3.594 360 HA GLU 126 HA GLU 126 138.379 18.280 5.106 361 1HB GLU 126 2HB GLU 126 138.935 16.136 6.157 362 2HB GLU 126 1HB GLU 126 137.245 16.551 6.401 363 1HG GLU 126 2HG GLU 126 136.534 14.975 4.782 364 2HG GLU 126 1HG GLU 126 138.186 14.702 4.232 365 H THR 127 H THR 127 140.555 16.918 5.048 366 HA THR 127 HA THR 127 141.218 16.636 2.199 367 HB THR 127 HB THR 127 143.632 16.807 3.269 368 HG1 THR 127 HG1 THR 127 142.060 18.229 5.148 369 1HG2 THR 127 1HG2 THR 127 143.751 18.968 2.604 370 2HG2 THR 127 2HG2 THR 127 142.219 19.405 3.360 371 3HG2 THR 127 3HG2 THR 127 142.228 18.523 1.832 372 H ILE 128 H ILE 128 141.919 14.750 1.397 373 HA ILE 128 HA ILE 128 142.634 12.612 3.293 374 HB ILE 128 HB ILE 128 141.126 12.115 0.731 375 1HG1 ILE 128 2HG1 ILE 128 139.294 11.586 2.640 376 2HG1 ILE 128 1HG1 ILE 128 140.147 12.918 3.415 377 1HG2 ILE 128 1HG2 ILE 128 141.967 10.079 1.244 378 2HG2 ILE 128 2HG2 ILE 128 140.573 10.034 2.325 379 3HG2 ILE 128 3HG2 ILE 128 142.163 10.468 2.954 380 1HD1 ILE 128 1HD1 ILE 128 139.518 14.432 1.792 381 2HD1 ILE 128 2HD1 ILE 128 138.087 13.412 1.944 382 3HD1 ILE 128 3HD1 ILE 128 139.200 13.175 0.596 383 H THR 129 H THR 129 144.474 11.559 2.862 384 HA THR 129 HA THR 129 146.002 12.351 0.524 385 HB THR 129 HB THR 129 147.217 12.344 2.580 386 HG1 THR 129 HG1 THR 129 148.858 10.870 2.084 387 1HG2 THR 129 1HG2 THR 129 146.562 11.016 4.227 388 2HG2 THR 129 2HG2 THR 129 147.490 9.745 3.433 389 3HG2 THR 129 3HG2 THR 129 145.762 9.900 3.120 390 H GLU 130 H GLU 130 147.419 10.445 -0.401 391 HA GLU 130 HA GLU 130 145.619 8.713 -1.752 392 1HB GLU 130 2HB GLU 130 148.548 9.192 -1.759 393 2HB GLU 130 1HB GLU 130 148.002 7.629 -2.353 394 1HG GLU 130 2HG GLU 130 146.314 9.344 -3.638 395 2HG GLU 130 1HG GLU 130 147.809 10.275 -3.567 396 H ASP 131 H ASP 131 147.725 8.351 1.016 397 HA ASP 131 HA ASP 131 147.747 5.542 1.163 398 1HB ASP 131 2HB ASP 131 148.733 7.705 2.706 399 2HB ASP 131 1HB ASP 131 147.797 6.687 3.796 400 H ASP 132 H ASP 132 145.620 7.940 2.699 401 HA ASP 132 HA ASP 132 144.046 6.225 4.202 402 1HB ASP 132 2HB ASP 132 143.963 8.700 4.329 403 2HB ASP 132 1HB ASP 132 143.131 8.731 2.777 404 H ILE 133 H ILE 133 143.653 7.221 0.823 405 HA ILE 133 HA ILE 133 141.214 5.970 0.307 406 HB ILE 133 HB ILE 133 143.494 6.309 -1.644 407 1HG1 ILE 133 2HG1 ILE 133 142.995 8.437 -0.584 408 2HG1 ILE 133 1HG1 ILE 133 142.376 8.447 -2.232 409 1HG2 ILE 133 1HG2 ILE 133 141.629 4.816 -2.348 410 2HG2 ILE 133 2HG2 ILE 133 141.830 6.244 -3.363 411 3HG2 ILE 133 3HG2 ILE 133 140.530 6.183 -2.171 412 1HD1 ILE 133 1HD1 ILE 133 140.835 8.186 0.327 413 2HD1 ILE 133 2HD1 ILE 133 140.136 7.828 -1.252 414 3HD1 ILE 133 3HD1 ILE 133 140.726 9.452 -0.895 415 H GLU 134 H GLU 134 144.477 4.677 0.377 416 HA GLU 134 HA GLU 134 143.857 2.186 -0.843 417 1HB GLU 134 2HB GLU 134 146.142 3.049 0.929 418 2HB GLU 134 1HB GLU 134 146.044 1.463 0.180 419 1HG GLU 134 2HG GLU 134 146.236 2.359 -1.988 420 2HG GLU 134 1HG GLU 134 145.940 4.002 -1.416 421 H GLU 135 H GLU 135 144.460 3.053 2.568 422 HA GLU 135 HA GLU 135 143.824 0.543 3.635 423 1HB GLU 135 2HB GLU 135 143.497 1.774 5.780 424 2HB GLU 135 1HB GLU 135 145.016 2.140 4.973 425 1HG GLU 135 2HG GLU 135 144.326 4.267 4.359 426 2HG GLU 135 1HG GLU 135 142.618 3.881 4.574 427 H LEU 136 H LEU 136 141.794 3.313 2.857 428 HA LEU 136 HA LEU 136 139.452 2.495 4.156 429 1HB LEU 136 2HB LEU 136 140.137 4.689 2.788 430 2HB LEU 136 1HB LEU 136 139.215 3.875 1.539 431 HG LEU 136 HG LEU 136 138.191 4.621 4.279 432 1HD1 LEU 136 1HD1 LEU 136 138.617 6.366 2.332 433 2HD1 LEU 136 2HD1 LEU 136 137.191 6.448 3.366 434 3HD1 LEU 136 3HD1 LEU 136 137.076 5.725 1.763 435 1HD2 LEU 136 1HD2 LEU 136 135.996 3.941 3.349 436 2HD2 LEU 136 2HD2 LEU 136 137.127 2.599 3.527 437 3HD2 LEU 136 3HD2 LEU 136 136.833 3.298 1.935 438 H MET 137 H MET 137 140.687 1.768 0.924 439 HA MET 137 HA MET 137 138.391 0.283 0.109 440 1HB MET 137 2HB MET 137 139.983 1.351 -1.474 441 2HB MET 137 1HB MET 137 141.202 0.180 -0.996 442 1HG MET 137 2HG MET 137 140.460 -1.208 -2.541 443 2HG MET 137 1HG MET 137 138.904 -1.281 -1.717 444 1HE MET 137 1HE MET 137 137.133 -1.429 -3.475 445 2HE MET 137 2HE MET 137 136.560 0.077 -4.193 446 3HE MET 137 3HE MET 137 136.772 -0.041 -2.446 447 H LYS 138 H LYS 138 141.465 -0.522 1.615 448 HA LYS 138 HA LYS 138 141.252 -3.333 1.343 449 1HB LYS 138 2HB LYS 138 143.196 -1.605 2.210 450 2HB LYS 138 1HB LYS 138 142.694 -2.366 3.713 451 1HG LYS 138 2HG LYS 138 144.124 -3.986 3.192 452 2HG LYS 138 1HG LYS 138 142.933 -4.498 1.995 453 1HD LYS 138 2HD LYS 138 144.046 -2.932 0.372 454 2HD LYS 138 1HD LYS 138 145.322 -2.710 1.570 455 1HE LYS 138 2HE LYS 138 144.515 -5.439 0.619 456 2HE LYS 138 1HE LYS 138 145.681 -4.463 -0.271 457 1HZ LYS 138 1HZ LYS 138 145.965 -5.171 2.597 458 2HZ LYS 138 2HZ LYS 138 147.119 -4.423 1.612 459 3HZ LYS 138 3HZ LYS 138 146.689 -6.035 1.334 460 H ASP 139 H ASP 139 139.964 -1.043 3.630 461 HA ASP 139 HA ASP 139 139.307 -2.899 5.675 462 1HB ASP 139 2HB ASP 139 139.341 -0.197 5.536 463 2HB ASP 139 1HB ASP 139 137.611 -0.493 5.385 464 H GLY 140 H GLY 140 138.002 -2.418 2.589 465 1HA GLY 140 2HA GLY 140 135.513 -3.784 3.406 466 2HA GLY 140 1HA GLY 140 135.558 -2.588 2.121 467 H ASP 141 H ASP 141 138.246 -3.763 1.280 468 HA ASP 141 HA ASP 141 137.216 -5.518 -0.695 469 1HB ASP 141 2HB ASP 141 139.461 -3.997 -0.497 470 2HB ASP 141 1HB ASP 141 140.123 -5.599 -0.186 471 H LYS 142 H LYS 142 136.185 -7.158 0.560 472 HA LYS 142 HA LYS 142 137.749 -8.844 2.289 473 1HB LYS 142 2HB LYS 142 134.984 -9.331 1.167 474 2HB LYS 142 1HB LYS 142 135.719 -10.153 2.535 475 1HG LYS 142 2HG LYS 142 135.103 -7.208 2.447 476 2HG LYS 142 1HG LYS 142 134.064 -8.434 3.179 477 1HD LYS 142 2HD LYS 142 136.900 -8.388 4.034 478 2HD LYS 142 1HD LYS 142 135.881 -7.052 4.572 479 1HE LYS 142 2HE LYS 142 134.360 -8.537 5.641 480 2HE LYS 142 1HE LYS 142 135.121 -9.946 4.900 481 1HZ LYS 142 1HZ LYS 142 136.951 -9.787 6.288 482 2HZ LYS 142 2HZ LYS 142 135.675 -9.390 7.323 483 3HZ LYS 142 3HZ LYS 142 136.656 -8.169 6.687 484 H ASN 143 H ASN 143 136.513 -8.979 -1.005 485 HA ASN 143 HA ASN 143 137.456 -11.673 -1.427 486 1HB ASN 143 2HB ASN 143 135.428 -10.902 -2.555 487 2HB ASN 143 1HB ASN 143 136.340 -9.633 -3.363 488 1HD2 ASN 143 1HD2 ASN 143 137.044 -13.061 -2.810 489 2HD2 ASN 143 2HD2 ASN 143 137.236 -13.467 -4.478 490 H ASN 144 H ASN 144 138.877 -8.623 -1.430 491 HA ASN 144 HA ASN 144 140.786 -7.735 -2.300 492 1HB ASN 144 2HB ASN 144 141.429 -9.790 -0.772 493 2HB ASN 144 1HB ASN 144 141.999 -10.466 -2.296 494 1HD2 ASN 144 1HD2 ASN 144 143.469 -9.627 0.096 495 2HD2 ASN 144 2HD2 ASN 144 144.626 -8.464 -0.447 496 H ASP 145 H ASP 145 139.029 -8.212 -4.350 497 HA ASP 145 HA ASP 145 140.677 -9.399 -6.476 498 1HB ASP 145 2HB ASP 145 138.575 -9.495 -7.790 499 2HB ASP 145 1HB ASP 145 138.484 -10.415 -6.291 500 H GLY 146 H GLY 146 140.572 -6.540 -5.203 501 1HA GLY 146 2HA GLY 146 141.473 -4.617 -6.246 502 2HA GLY 146 1HA GLY 146 140.852 -5.189 -7.785 503 H ARG 147 H ARG 147 138.230 -5.740 -6.214 504 HA ARG 147 HA ARG 147 137.310 -3.001 -5.819 505 1HB ARG 147 2HB ARG 147 135.941 -4.882 -7.748 506 2HB ARG 147 1HB ARG 147 135.430 -3.250 -7.340 507 1HG ARG 147 2HG ARG 147 137.684 -2.490 -8.247 508 2HG ARG 147 1HG ARG 147 137.823 -4.113 -8.928 509 1HD ARG 147 2HD ARG 147 135.237 -2.949 -9.493 510 2HD ARG 147 1HD ARG 147 136.545 -1.913 -10.065 511 HE ARG 147 HE ARG 147 137.080 -4.555 -10.840 512 1HH1 ARG 147 1HH1 ARG 147 134.835 -1.975 -11.535 513 2HH1 ARG 147 2HH1 ARG 147 134.555 -2.489 -13.165 514 1HH2 ARG 147 1HH2 ARG 147 136.712 -5.234 -12.982 515 2HH2 ARG 147 2HH2 ARG 147 135.619 -4.342 -13.987 516 H ILE 148 H ILE 148 135.207 -2.872 -4.794 517 HA ILE 148 HA ILE 148 134.649 -5.267 -3.178 518 HB ILE 148 HB ILE 148 133.980 -2.388 -2.548 519 1HG1 ILE 148 2HG1 ILE 148 135.973 -4.017 -1.022 520 2HG1 ILE 148 1HG1 ILE 148 136.466 -3.262 -2.533 521 1HG2 ILE 148 1HG2 ILE 148 133.820 -4.822 -0.776 522 2HG2 ILE 148 2HG2 ILE 148 132.441 -4.075 -1.582 523 3HG2 ILE 148 3HG2 ILE 148 133.344 -3.174 -0.365 524 1HD1 ILE 148 1HD1 ILE 148 135.307 -1.164 -1.331 525 2HD1 ILE 148 2HD1 ILE 148 137.017 -1.571 -1.160 526 3HD1 ILE 148 3HD1 ILE 148 135.865 -2.060 0.082 527 H ASP 149 H ASP 149 132.711 -6.203 -3.232 528 HA ASP 149 HA ASP 149 130.649 -4.987 -4.933 529 1HB ASP 149 2HB ASP 149 129.707 -7.259 -5.109 530 2HB ASP 149 1HB ASP 149 131.387 -7.213 -5.636 531 H TYR 150 H TYR 150 128.345 -5.767 -4.223 532 HA TYR 150 HA TYR 150 127.774 -4.506 -1.775 533 1HB TYR 150 2HB TYR 150 126.163 -4.691 -3.647 534 2HB TYR 150 1HB TYR 150 126.013 -6.415 -3.324 535 HD1 TYR 150 HD1 TYR 150 126.038 -3.420 -1.080 536 HD2 TYR 150 HD2 TYR 150 123.916 -6.845 -2.450 537 HE1 TYR 150 HE1 TYR 150 124.247 -2.952 0.537 538 HE2 TYR 150 HE2 TYR 150 122.120 -6.384 -0.836 539 HH TYR 150 HH TYR 150 121.221 -4.566 0.448 540 H ASP 151 H ASP 151 128.448 -7.831 -2.562 541 HA ASP 151 HA ASP 151 127.341 -9.039 -0.271 542 1HB ASP 151 2HB ASP 151 129.809 -10.056 -1.670 543 2HB ASP 151 1HB ASP 151 128.548 -10.983 -0.863 544 H GLU 152 H GLU 152 130.726 -8.141 -0.937 545 HA GLU 152 HA GLU 152 131.524 -8.637 1.765 546 1HB GLU 152 2HB GLU 152 133.673 -7.479 0.969 547 2HB GLU 152 1HB GLU 152 133.226 -9.001 0.213 548 1HG GLU 152 2HG GLU 152 132.481 -7.921 -1.747 549 2HG GLU 152 1HG GLU 152 132.538 -6.335 -0.979 550 H PHE 153 H PHE 153 130.640 -5.755 -0.068 551 HA PHE 153 HA PHE 153 131.585 -3.867 1.811 552 1HB PHE 153 2HB PHE 153 130.518 -3.689 -0.690 553 2HB PHE 153 1HB PHE 153 129.185 -3.091 0.289 554 HD1 PHE 153 HD1 PHE 153 131.478 -1.869 -1.720 555 HD2 PHE 153 HD2 PHE 153 130.521 -1.647 2.422 556 HE1 PHE 153 HE1 PHE 153 132.582 0.324 -1.586 557 HE2 PHE 153 HE2 PHE 153 131.622 0.548 2.562 558 HZ PHE 153 HZ PHE 153 132.654 1.538 0.557 559 H LEU 154 H LEU 154 128.576 -5.664 1.560 560 HA LEU 154 HA LEU 154 126.937 -4.244 3.261 561 1HB LEU 154 2HB LEU 154 127.193 -7.108 2.531 562 2HB LEU 154 1HB LEU 154 126.240 -6.743 3.957 563 HG LEU 154 HG LEU 154 125.733 -5.786 1.142 564 1HD1 LEU 154 1HD1 LEU 154 123.588 -6.985 1.484 565 2HD1 LEU 154 2HD1 LEU 154 124.222 -7.595 3.013 566 3HD1 LEU 154 3HD1 LEU 154 125.003 -8.040 1.494 567 1HD2 LEU 154 1HD2 LEU 154 125.003 -3.936 2.235 568 2HD2 LEU 154 2HD2 LEU 154 124.733 -4.799 3.749 569 3HD2 LEU 154 3HD2 LEU 154 123.573 -4.950 2.429 570 H GLU 155 H GLU 155 129.707 -6.207 4.033 571 HA GLU 155 HA GLU 155 129.163 -6.302 6.861 572 1HB GLU 155 2HB GLU 155 131.348 -7.235 5.064 573 2HB GLU 155 1HB GLU 155 131.740 -6.988 6.761 574 1HG GLU 155 2HG GLU 155 130.059 -8.558 7.438 575 2HG GLU 155 1HG GLU 155 129.482 -8.717 5.780 576 H PHE 156 H PHE 156 130.785 -4.159 4.672 577 HA PHE 156 HA PHE 156 132.597 -2.873 6.319 578 1HB PHE 156 2HB PHE 156 131.775 -2.499 3.773 579 2HB PHE 156 1HB PHE 156 130.988 -1.127 4.543 580 HD1 PHE 156 HD1 PHE 156 133.767 -2.002 2.768 581 HD2 PHE 156 HD2 PHE 156 132.707 0.044 6.345 582 HE1 PHE 156 HE1 PHE 156 135.874 -0.734 2.668 583 HE2 PHE 156 HE2 PHE 156 134.811 1.311 6.252 584 HZ PHE 156 HZ PHE 156 136.398 0.924 4.410 585 H MET 157 H MET 157 129.134 -2.788 6.385 586 HA MET 157 HA MET 157 129.159 -0.539 8.268 587 1HB MET 157 2HB MET 157 126.858 -1.891 6.849 588 2HB MET 157 1HB MET 157 126.696 -0.543 7.966 589 1HG MET 157 2HG MET 157 128.165 -0.506 5.339 590 2HG MET 157 1HG MET 157 126.587 0.209 5.665 591 1HE MET 157 1HE MET 157 128.422 1.849 4.261 592 2HE MET 157 2HE MET 157 130.015 1.460 4.912 593 3HE MET 157 3HE MET 157 129.342 3.075 5.136 594 H LYS 158 H LYS 158 129.998 -3.373 8.854 595 HA LYS 158 HA LYS 158 127.967 -4.447 10.568 596 1HB LYS 158 2HB LYS 158 130.713 -5.204 9.775 597 2HB LYS 158 1HB LYS 158 130.184 -5.769 11.352 598 1HG LYS 158 2HG LYS 158 128.669 -6.228 8.794 599 2HG LYS 158 1HG LYS 158 129.786 -7.386 9.520 600 1HD LYS 158 2HD LYS 158 128.386 -7.321 11.589 601 2HD LYS 158 1HD LYS 158 127.223 -6.329 10.707 602 1HE LYS 158 2HE LYS 158 127.401 -8.312 8.966 603 2HE LYS 158 1HE LYS 158 127.890 -9.212 10.402 604 1HZ LYS 158 1HZ LYS 158 125.734 -7.933 11.310 605 2HZ LYS 158 2HZ LYS 158 125.684 -9.480 10.629 606 3HZ LYS 158 3HZ LYS 158 125.295 -8.131 9.687 607 H GLY 159 H GLY 159 129.424 -1.680 11.056 608 1HA GLY 159 2HA GLY 159 129.053 -0.759 13.313 609 2HA GLY 159 1HA GLY 159 129.850 -2.194 13.933 610 H VAL 160 H VAL 160 131.526 -1.388 11.215 611 HA VAL 160 HA VAL 160 133.891 -0.747 12.398 612 HB VAL 160 HB VAL 160 134.589 0.293 10.281 613 1HG1 VAL 160 1HG1 VAL 160 133.202 -2.307 10.430 614 2HG1 VAL 160 2HG1 VAL 160 134.866 -1.929 9.987 615 3HG1 VAL 160 3HG1 VAL 160 133.570 -1.709 8.812 616 1HG2 VAL 160 1HG2 VAL 160 132.664 1.577 9.696 617 2HG2 VAL 160 2HG2 VAL 160 131.653 0.133 9.621 618 3HG2 VAL 160 3HG2 VAL 160 132.919 0.388 8.418 619 H GLU 161 H GLU 161 131.389 1.546 11.357 620 HA GLU 161 HA GLU 161 132.568 3.538 13.158 621 1HB GLU 161 2HB GLU 161 132.251 5.309 11.517 622 2HB GLU 161 1HB GLU 161 133.322 4.068 10.878 623 1HG GLU 161 2HG GLU 161 131.785 3.338 9.339 624 2HG GLU 161 1HG GLU 161 130.411 3.928 10.270 Start of MODEL 8 1 1H MET 81 1HT MET 81 98.303 -12.291 21.524 2 2H MET 81 2HT MET 81 99.713 -13.136 21.033 3 3H MET 81 3HT MET 81 98.918 -13.566 22.492 4 HA MET 81 HA MET 81 98.295 -15.176 21.013 5 1HB MET 81 2HB MET 81 96.458 -14.155 22.303 6 2HB MET 81 1HB MET 81 96.176 -13.015 20.995 7 1HG MET 81 2HG MET 81 95.092 -14.523 19.725 8 2HG MET 81 1HG MET 81 96.111 -15.862 20.253 9 1HE MET 81 1HE MET 81 95.289 -17.650 22.092 10 2HE MET 81 2HE MET 81 94.549 -17.004 23.557 11 3HE MET 81 3HE MET 81 96.082 -16.350 22.982 12 H VAL 82 H VAL 82 97.375 -12.091 19.466 13 HA VAL 82 HA VAL 82 97.540 -13.321 16.844 14 HB VAL 82 HB VAL 82 96.988 -10.424 17.491 15 1HG1 VAL 82 1HG1 VAL 82 96.104 -10.253 15.313 16 2HG1 VAL 82 2HG1 VAL 82 96.112 -12.003 15.087 17 3HG1 VAL 82 3HG1 VAL 82 97.634 -11.114 15.137 18 1HG2 VAL 82 1HG2 VAL 82 94.561 -11.429 16.912 19 2HG2 VAL 82 2HG2 VAL 82 95.184 -11.275 18.554 20 3HG2 VAL 82 3HG2 VAL 82 95.283 -12.824 17.714 21 H ARG 83 H ARG 83 99.277 -13.286 15.580 22 HA ARG 83 HA ARG 83 101.256 -11.146 15.921 23 1HB ARG 83 2HB ARG 83 103.083 -12.806 15.698 24 2HB ARG 83 1HB ARG 83 102.142 -13.021 17.168 25 1HG ARG 83 2HG ARG 83 100.812 -14.740 15.722 26 2HG ARG 83 1HG ARG 83 102.274 -14.734 14.733 27 1HD ARG 83 2HD ARG 83 103.614 -15.373 16.634 28 2HD ARG 83 1HD ARG 83 102.220 -15.242 17.705 29 HE ARG 83 HE ARG 83 101.772 -17.099 15.588 30 1HH1 ARG 83 1HH1 ARG 83 103.310 -16.715 18.696 31 2HH1 ARG 83 2HH1 ARG 83 103.240 -18.401 19.081 32 1HH2 ARG 83 1HH2 ARG 83 101.676 -19.319 16.092 33 2HH2 ARG 83 2HH2 ARG 83 102.312 -19.880 17.603 34 H CYS 84 H CYS 84 101.385 -10.132 14.038 35 HA CYS 84 HA CYS 84 100.995 -11.671 11.565 36 1HB CYS 84 2HB CYS 84 100.456 -8.849 12.352 37 2HB CYS 84 1HB CYS 84 100.892 -9.160 10.676 38 HG CYS 84 HG CYS 84 98.772 -10.667 10.470 39 H MET 85 H MET 85 102.862 -8.792 12.551 40 HA MET 85 HA MET 85 105.305 -9.985 11.551 41 1HB MET 85 2HB MET 85 103.851 -8.589 9.730 42 2HB MET 85 1HB MET 85 104.837 -7.301 10.411 43 1HG MET 85 2HG MET 85 106.785 -8.170 9.598 44 2HG MET 85 1HG MET 85 106.178 -9.823 9.600 45 1HE MET 85 1HE MET 85 107.390 -7.142 7.773 46 2HE MET 85 2HE MET 85 105.880 -6.310 7.396 47 3HE MET 85 3HE MET 85 106.732 -7.206 6.137 48 H LYS 86 H LYS 86 107.204 -8.804 12.149 49 HA LYS 86 HA LYS 86 106.794 -7.240 14.572 50 1HB LYS 86 2HB LYS 86 109.113 -8.694 13.361 51 2HB LYS 86 1HB LYS 86 109.411 -7.438 14.556 52 1HG LYS 86 2HG LYS 86 108.031 -8.622 16.171 53 2HG LYS 86 1HG LYS 86 107.682 -9.869 14.971 54 1HD LYS 86 2HD LYS 86 110.485 -9.185 15.825 55 2HD LYS 86 1HD LYS 86 109.505 -10.389 16.666 56 1HE LYS 86 2HE LYS 86 110.029 -10.485 13.705 57 2HE LYS 86 1HE LYS 86 111.078 -11.266 14.887 58 1HZ LYS 86 1HZ LYS 86 109.260 -12.665 13.834 59 2HZ LYS 86 2HZ LYS 86 108.173 -11.803 14.802 60 3HZ LYS 86 3HZ LYS 86 109.393 -12.728 15.520 61 H ASP 87 H ASP 87 107.259 -5.119 14.793 62 HA ASP 87 HA ASP 87 108.414 -3.737 12.461 63 1HB ASP 87 2HB ASP 87 105.861 -3.447 13.111 64 2HB ASP 87 1HB ASP 87 106.525 -2.306 14.277 65 H ASP 88 H ASP 88 108.167 -3.896 15.963 66 HA ASP 88 HA ASP 88 110.248 -1.838 16.201 67 1HB ASP 88 2HB ASP 88 108.113 -2.849 18.022 68 2HB ASP 88 1HB ASP 88 109.594 -2.231 18.748 69 H SER 89 H SER 89 111.128 -4.249 15.208 70 HA SER 89 HA SER 89 112.662 -5.310 17.485 71 1HB SER 89 2HB SER 89 112.677 -7.515 16.385 72 2HB SER 89 1HB SER 89 111.033 -6.986 16.741 73 HG SER 89 HG SER 89 110.998 -6.217 14.508 74 H LYS 90 H LYS 90 113.039 -6.205 14.096 75 HA LYS 90 HA LYS 90 115.592 -4.739 14.047 76 1HB LYS 90 2HB LYS 90 115.035 -7.531 13.036 77 2HB LYS 90 1HB LYS 90 116.512 -6.637 12.705 78 1HG LYS 90 2HG LYS 90 115.767 -6.861 15.545 79 2HG LYS 90 1HG LYS 90 116.222 -8.366 14.743 80 1HD LYS 90 2HD LYS 90 118.237 -6.964 13.866 81 2HD LYS 90 1HD LYS 90 117.847 -5.902 15.219 82 1HE LYS 90 2HE LYS 90 117.974 -7.896 16.718 83 2HE LYS 90 1HE LYS 90 118.555 -8.829 15.338 84 1HZ LYS 90 1HZ LYS 90 120.235 -6.773 15.280 85 2HZ LYS 90 2HZ LYS 90 120.544 -8.195 16.139 86 3HZ LYS 90 3HZ LYS 90 119.932 -6.838 16.942 87 H GLY 91 H GLY 91 115.751 -3.353 12.413 88 1HA GLY 91 2HA GLY 91 113.731 -3.078 10.451 89 2HA GLY 91 1HA GLY 91 115.275 -2.239 10.460 90 H LYS 92 H LYS 92 115.285 -2.477 8.151 91 HA LYS 92 HA LYS 92 116.046 -5.191 7.287 92 1HB LYS 92 2HB LYS 92 114.436 -3.066 5.914 93 2HB LYS 92 1HB LYS 92 115.331 -4.243 4.961 94 1HG LYS 92 2HG LYS 92 114.105 -6.056 5.955 95 2HG LYS 92 1HG LYS 92 113.293 -4.948 7.063 96 1HD LYS 92 2HD LYS 92 112.498 -3.764 4.898 97 2HD LYS 92 1HD LYS 92 112.922 -5.285 4.110 98 1HE LYS 92 2HE LYS 92 110.906 -4.830 6.299 99 2HE LYS 92 1HE LYS 92 110.610 -5.398 4.657 100 1HZ LYS 92 1HZ LYS 92 110.583 -7.368 5.754 101 2HZ LYS 92 2HZ LYS 92 111.639 -6.855 6.971 102 3HZ LYS 92 3HZ LYS 92 112.247 -7.286 5.452 103 H THR 93 H THR 93 118.122 -4.099 8.234 104 HA THR 93 HA THR 93 119.505 -2.195 6.660 105 HB THR 93 HB THR 93 120.588 -4.209 8.637 106 HG1 THR 93 HG1 THR 93 118.975 -2.642 9.389 107 1HG2 THR 93 1HG2 THR 93 121.872 -1.581 8.141 108 2HG2 THR 93 2HG2 THR 93 122.173 -2.897 7.006 109 3HG2 THR 93 3HG2 THR 93 122.570 -3.096 8.712 110 H GLU 94 H GLU 94 119.148 -5.646 6.526 111 HA GLU 94 HA GLU 94 121.420 -6.289 4.993 112 1HB GLU 94 2HB GLU 94 119.951 -8.258 4.240 113 2HB GLU 94 1HB GLU 94 120.313 -8.116 5.955 114 1HG GLU 94 2HG GLU 94 118.152 -7.340 6.454 115 2HG GLU 94 1HG GLU 94 117.790 -7.027 4.757 116 H GLU 95 H GLU 95 118.208 -5.194 4.158 117 HA GLU 95 HA GLU 95 118.887 -5.205 1.311 118 1HB GLU 95 2HB GLU 95 116.266 -4.834 2.759 119 2HB GLU 95 1HB GLU 95 116.447 -4.623 1.023 120 1HG GLU 95 2HG GLU 95 117.550 -7.144 1.879 121 2HG GLU 95 1HG GLU 95 115.870 -6.976 2.386 122 H GLU 96 H GLU 96 118.418 -3.107 4.007 123 HA GLU 96 HA GLU 96 117.924 -0.704 2.567 124 1HB GLU 96 2HB GLU 96 118.583 -1.441 5.368 125 2HB GLU 96 1HB GLU 96 118.918 0.212 4.883 126 1HG GLU 96 2HG GLU 96 116.248 -1.009 4.340 127 2HG GLU 96 1HG GLU 96 116.636 -0.376 5.939 128 H LEU 97 H LEU 97 120.778 -2.498 3.362 129 HA LEU 97 HA LEU 97 122.617 -0.325 3.004 130 1HB LEU 97 2HB LEU 97 122.939 -3.306 3.216 131 2HB LEU 97 1HB LEU 97 124.298 -2.250 2.887 132 HG LEU 97 HG LEU 97 122.549 -1.908 5.313 133 1HD1 LEU 97 1HD1 LEU 97 125.166 -3.393 5.206 134 2HD1 LEU 97 2HD1 LEU 97 123.590 -4.184 5.216 135 3HD1 LEU 97 3HD1 LEU 97 124.090 -3.197 6.589 136 1HD2 LEU 97 1HD2 LEU 97 125.400 -1.064 4.835 137 2HD2 LEU 97 2HD2 LEU 97 124.328 -0.576 6.150 138 3HD2 LEU 97 3HD2 LEU 97 124.012 -0.027 4.504 139 H SER 98 H SER 98 120.818 -2.204 0.856 140 HA SER 98 HA SER 98 122.698 -2.459 -1.261 141 1HB SER 98 2HB SER 98 120.866 -3.187 -2.596 142 2HB SER 98 1HB SER 98 120.550 -3.788 -0.969 143 HG SER 98 HG SER 98 119.003 -2.267 -0.696 144 H ASP 99 H ASP 99 120.006 -0.189 -0.708 145 HA ASP 99 HA ASP 99 120.330 1.358 -2.994 146 1HB ASP 99 2HB ASP 99 118.617 1.397 -0.881 147 2HB ASP 99 1HB ASP 99 119.567 2.844 -0.561 148 H LEU 100 H LEU 100 121.939 1.600 0.138 149 HA LEU 100 HA LEU 100 123.261 4.043 -0.329 150 1HB LEU 100 2HB LEU 100 123.816 1.723 1.498 151 2HB LEU 100 1HB LEU 100 124.882 3.114 1.436 152 HG LEU 100 HG LEU 100 122.200 4.049 1.761 153 1HD1 LEU 100 1HD1 LEU 100 122.918 2.358 4.097 154 2HD1 LEU 100 2HD1 LEU 100 122.135 1.591 2.714 155 3HD1 LEU 100 3HD1 LEU 100 121.341 2.925 3.550 156 1HD2 LEU 100 1HD2 LEU 100 123.716 5.496 2.614 157 2HD2 LEU 100 2HD2 LEU 100 124.815 4.216 3.128 158 3HD2 LEU 100 3HD2 LEU 100 123.391 4.598 4.096 159 H PHE 101 H PHE 101 123.859 0.854 -1.497 160 HA PHE 101 HA PHE 101 126.620 0.983 -1.950 161 1HB PHE 101 2HB PHE 101 125.231 -1.080 -2.141 162 2HB PHE 101 1HB PHE 101 124.577 -0.456 -3.652 163 HD1 PHE 101 HD1 PHE 101 127.403 -2.039 -2.033 164 HD2 PHE 101 HD2 PHE 101 126.031 -0.218 -5.625 165 HE1 PHE 101 HE1 PHE 101 129.301 -3.018 -3.249 166 HE2 PHE 101 HE2 PHE 101 127.925 -1.199 -6.850 167 HZ PHE 101 HZ PHE 101 129.564 -2.603 -5.662 168 H ARG 102 H ARG 102 123.919 1.798 -4.130 169 HA ARG 102 HA ARG 102 125.417 2.557 -6.340 170 1HB ARG 102 2HB ARG 102 122.703 2.668 -5.542 171 2HB ARG 102 1HB ARG 102 123.135 4.278 -6.100 172 1HG ARG 102 2HG ARG 102 122.270 3.062 -7.952 173 2HG ARG 102 1HG ARG 102 124.009 3.247 -8.192 174 1HD ARG 102 2HD ARG 102 123.633 1.020 -8.738 175 2HD ARG 102 1HD ARG 102 124.186 0.935 -7.065 176 HE ARG 102 HE ARG 102 122.116 0.167 -6.451 177 1HH1 ARG 102 1HH1 ARG 102 121.934 1.464 -9.686 178 2HH1 ARG 102 2HH1 ARG 102 120.330 0.876 -9.964 179 1HH2 ARG 102 1HH2 ARG 102 120.007 -0.607 -6.816 180 2HH2 ARG 102 2HH2 ARG 102 119.234 -0.300 -8.336 181 H MET 103 H MET 103 124.723 4.307 -3.395 182 HA MET 103 HA MET 103 125.455 6.884 -4.298 183 1HB MET 103 2HB MET 103 125.145 5.582 -1.626 184 2HB MET 103 1HB MET 103 125.945 7.145 -1.718 185 1HG MET 103 2HG MET 103 123.532 7.199 -3.260 186 2HG MET 103 1HG MET 103 123.194 6.611 -1.633 187 1HE MET 103 1HE MET 103 124.207 10.213 -3.565 188 2HE MET 103 2HE MET 103 122.693 10.559 -2.730 189 3HE MET 103 3HE MET 103 122.844 9.104 -3.714 190 H PHE 104 H PHE 104 127.290 4.156 -3.124 191 HA PHE 104 HA PHE 104 129.717 5.624 -2.708 192 1HB PHE 104 2HB PHE 104 128.768 2.994 -2.174 193 2HB PHE 104 1HB PHE 104 130.253 2.849 -3.108 194 HD1 PHE 104 HD1 PHE 104 132.347 3.855 -2.251 195 HD2 PHE 104 HD2 PHE 104 128.789 3.719 0.077 196 HE1 PHE 104 HE1 PHE 104 133.667 4.279 -0.219 197 HE2 PHE 104 HE2 PHE 104 130.102 4.143 2.114 198 HZ PHE 104 HZ PHE 104 132.543 4.422 1.968 199 H ASP 105 H ASP 105 128.198 4.078 -5.412 200 HA ASP 105 HA ASP 105 130.644 3.996 -6.973 201 1HB ASP 105 2HB ASP 105 128.432 2.443 -7.035 202 2HB ASP 105 1HB ASP 105 128.033 3.588 -8.312 203 H LYS 106 H LYS 106 131.209 5.380 -8.583 204 HA LYS 106 HA LYS 106 129.574 7.807 -8.843 205 1HB LYS 106 2HB LYS 106 132.494 7.263 -8.924 206 2HB LYS 106 1HB LYS 106 131.890 8.542 -9.968 207 1HG LYS 106 2HG LYS 106 130.904 8.647 -7.209 208 2HG LYS 106 1HG LYS 106 132.644 8.878 -7.389 209 1HD LYS 106 2HD LYS 106 132.339 10.732 -8.834 210 2HD LYS 106 1HD LYS 106 130.620 10.386 -9.028 211 1HE LYS 106 2HE LYS 106 130.310 10.855 -6.609 212 2HE LYS 106 1HE LYS 106 132.006 11.327 -6.520 213 1HZ LYS 106 1HZ LYS 106 131.550 13.063 -8.160 214 2HZ LYS 106 2HZ LYS 106 130.601 13.257 -6.774 215 3HZ LYS 106 3HZ LYS 106 129.916 12.626 -8.184 216 H ASN 107 H ASN 107 131.449 5.470 -10.746 217 HA ASN 107 HA ASN 107 130.379 6.544 -13.227 218 1HB ASN 107 2HB ASN 107 131.835 4.892 -14.320 219 2HB ASN 107 1HB ASN 107 132.730 5.874 -13.164 220 1HD2 ASN 107 1HD2 ASN 107 133.025 3.079 -14.306 221 2HD2 ASN 107 2HD2 ASN 107 133.285 2.089 -12.915 222 H ALA 108 H ALA 108 129.007 4.744 -10.981 223 HA ALA 108 HA ALA 108 127.530 2.997 -10.871 224 1HB ALA 108 1HB ALA 108 125.728 3.221 -12.640 225 2HB ALA 108 2HB ALA 108 126.683 4.557 -13.285 226 3HB ALA 108 3HB ALA 108 126.051 4.637 -11.640 227 H ASP 109 H ASP 109 128.612 1.111 -11.101 228 HA ASP 109 HA ASP 109 128.355 -0.202 -13.702 229 1HB ASP 109 2HB ASP 109 130.641 -1.198 -13.421 230 2HB ASP 109 1HB ASP 109 130.646 0.536 -13.730 231 H GLY 110 H GLY 110 129.059 -0.465 -10.262 232 1HA GLY 110 2HA GLY 110 127.369 -2.112 -9.223 233 2HA GLY 110 1HA GLY 110 128.140 -3.263 -10.301 234 H TYR 111 H TYR 111 130.668 -1.474 -9.647 235 HA TYR 111 HA TYR 111 131.232 -2.616 -7.003 236 1HB TYR 111 2HB TYR 111 133.103 -2.801 -9.376 237 2HB TYR 111 1HB TYR 111 133.428 -3.387 -7.748 238 HD1 TYR 111 HD1 TYR 111 132.773 -5.548 -7.101 239 HD2 TYR 111 HD2 TYR 111 131.202 -3.870 -10.681 240 HE1 TYR 111 HE1 TYR 111 131.796 -7.728 -7.688 241 HE2 TYR 111 HE2 TYR 111 130.221 -6.046 -11.278 242 HH TYR 111 HH TYR 111 129.554 -8.336 -9.412 243 H ILE 112 H ILE 112 132.942 -1.558 -5.851 244 HA ILE 112 HA ILE 112 133.366 1.206 -6.769 245 HB ILE 112 HB ILE 112 133.570 0.171 -3.941 246 1HG1 ILE 112 2HG1 ILE 112 131.352 1.969 -4.702 247 2HG1 ILE 112 1HG1 ILE 112 131.246 0.330 -5.336 248 1HG2 ILE 112 1HG2 ILE 112 134.883 2.153 -4.282 249 2HG2 ILE 112 2HG2 ILE 112 133.436 2.582 -3.373 250 3HG2 ILE 112 3HG2 ILE 112 133.540 2.954 -5.094 251 1HD1 ILE 112 1HD1 ILE 112 131.259 -0.600 -3.155 252 2HD1 ILE 112 2HD1 ILE 112 130.083 0.715 -3.160 253 3HD1 ILE 112 3HD1 ILE 112 131.671 0.954 -2.429 254 H ASP 113 H ASP 113 135.333 1.675 -7.467 255 HA ASP 113 HA ASP 113 137.601 0.065 -6.510 256 1HB ASP 113 2HB ASP 113 136.878 0.396 -9.064 257 2HB ASP 113 1HB ASP 113 137.884 1.831 -8.887 258 H LEU 114 H LEU 114 139.750 1.431 -6.788 259 HA LEU 114 HA LEU 114 139.783 3.331 -4.759 260 1HB LEU 114 2HB LEU 114 141.656 2.136 -6.538 261 2HB LEU 114 1HB LEU 114 141.935 3.867 -6.549 262 HG LEU 114 HG LEU 114 141.746 3.418 -3.879 263 1HD1 LEU 114 1HD1 LEU 114 141.630 0.906 -4.602 264 2HD1 LEU 114 2HD1 LEU 114 142.602 1.395 -3.214 265 3HD1 LEU 114 3HD1 LEU 114 143.377 1.087 -4.769 266 1HD2 LEU 114 1HD2 LEU 114 143.565 4.646 -4.424 267 2HD2 LEU 114 2HD2 LEU 114 143.957 3.648 -5.825 268 3HD2 LEU 114 3HD2 LEU 114 144.386 3.101 -4.204 269 H GLU 115 H GLU 115 139.380 3.734 -8.229 270 HA GLU 115 HA GLU 115 139.753 6.507 -8.380 271 1HB GLU 115 2HB GLU 115 138.412 4.450 -10.052 272 2HB GLU 115 1HB GLU 115 137.968 6.127 -10.347 273 1HG GLU 115 2HG GLU 115 140.316 6.685 -10.719 274 2HG GLU 115 1HG GLU 115 140.762 5.004 -10.421 275 H GLU 116 H GLU 116 136.793 4.610 -7.853 276 HA GLU 116 HA GLU 116 134.987 6.739 -7.771 277 1HB GLU 116 2HB GLU 116 135.003 3.970 -6.645 278 2HB GLU 116 1HB GLU 116 133.737 5.082 -6.144 279 1HG GLU 116 2HG GLU 116 132.876 3.832 -7.950 280 2HG GLU 116 1HG GLU 116 133.227 5.444 -8.571 281 H LEU 117 H LEU 117 136.765 5.176 -5.119 282 HA LEU 117 HA LEU 117 135.729 6.797 -3.059 283 1HB LEU 117 2HB LEU 117 138.468 5.553 -3.039 284 2HB LEU 117 1HB LEU 117 137.423 5.889 -1.671 285 HG LEU 117 HG LEU 117 137.019 3.754 -3.766 286 1HD1 LEU 117 1HD1 LEU 117 137.244 2.244 -1.824 287 2HD1 LEU 117 2HD1 LEU 117 137.648 3.635 -0.821 288 3HD1 LEU 117 3HD1 LEU 117 138.708 3.169 -2.151 289 1HD2 LEU 117 1HD2 LEU 117 134.862 4.625 -3.188 290 2HD2 LEU 117 2HD2 LEU 117 135.261 4.604 -1.470 291 3HD2 LEU 117 3HD2 LEU 117 135.080 3.088 -2.352 292 H LYS 118 H LYS 118 138.573 7.116 -5.126 293 HA LYS 118 HA LYS 118 139.787 9.280 -3.841 294 1HB LYS 118 2HB LYS 118 140.175 7.800 -6.219 295 2HB LYS 118 1HB LYS 118 140.125 9.494 -6.686 296 1HG LYS 118 2HG LYS 118 141.828 9.919 -4.877 297 2HG LYS 118 1HG LYS 118 141.991 8.166 -4.741 298 1HD LYS 118 2HD LYS 118 142.776 7.978 -6.973 299 2HD LYS 118 1HD LYS 118 142.325 9.643 -7.343 300 1HE LYS 118 2HE LYS 118 144.010 9.972 -5.222 301 2HE LYS 118 1HE LYS 118 144.723 8.581 -6.037 302 1HZ LYS 118 1HZ LYS 118 145.256 11.092 -6.701 303 2HZ LYS 118 2HZ LYS 118 143.953 10.807 -7.742 304 3HZ LYS 118 3HZ LYS 118 145.322 9.815 -7.807 305 H ILE 119 H ILE 119 137.014 9.136 -5.935 306 HA ILE 119 HA ILE 119 136.982 12.013 -6.352 307 HB ILE 119 HB ILE 119 134.895 9.990 -7.168 308 1HG1 ILE 119 2HG1 ILE 119 136.890 11.142 -9.075 309 2HG1 ILE 119 1HG1 ILE 119 137.378 9.794 -8.053 310 1HG2 ILE 119 1HG2 ILE 119 134.399 11.777 -8.887 311 2HG2 ILE 119 2HG2 ILE 119 135.420 12.851 -7.930 312 3HG2 ILE 119 3HG2 ILE 119 133.961 12.156 -7.221 313 1HD1 ILE 119 1HD1 ILE 119 134.987 9.763 -9.876 314 2HD1 ILE 119 2HD1 ILE 119 135.654 8.407 -8.967 315 3HD1 ILE 119 3HD1 ILE 119 136.576 9.120 -10.290 316 H MET 120 H MET 120 135.078 9.544 -4.670 317 HA MET 120 HA MET 120 133.078 11.264 -3.690 318 1HB MET 120 2HB MET 120 132.912 8.786 -3.759 319 2HB MET 120 1HB MET 120 134.082 8.697 -2.451 320 1HG MET 120 2HG MET 120 132.338 10.290 -1.267 321 2HG MET 120 1HG MET 120 131.234 9.517 -2.403 322 1HE MET 120 1HE MET 120 133.633 7.728 0.980 323 2HE MET 120 2HE MET 120 134.153 8.940 -0.192 324 3HE MET 120 3HE MET 120 134.306 7.224 -0.570 325 H LEU 121 H LEU 121 136.322 10.630 -2.616 326 HA LEU 121 HA LEU 121 135.891 11.791 0.001 327 1HB LEU 121 2HB LEU 121 138.178 10.531 -1.426 328 2HB LEU 121 1HB LEU 121 138.542 11.629 -0.109 329 HG LEU 121 HG LEU 121 136.890 9.110 0.068 330 1HD1 LEU 121 1HD1 LEU 121 138.923 8.888 1.856 331 2HD1 LEU 121 2HD1 LEU 121 139.707 9.765 0.542 332 3HD1 LEU 121 3HD1 LEU 121 138.936 8.209 0.228 333 1HD2 LEU 121 1HD2 LEU 121 137.334 9.841 2.622 334 2HD2 LEU 121 2HD2 LEU 121 135.869 10.246 1.727 335 3HD2 LEU 121 3HD2 LEU 121 137.173 11.427 1.866 336 H GLN 122 H GLN 122 137.727 12.659 -2.928 337 HA GLN 122 HA GLN 122 138.685 15.123 -2.025 338 1HB GLN 122 2HB GLN 122 139.035 15.674 -4.367 339 2HB GLN 122 1HB GLN 122 139.493 14.004 -4.062 340 1HG GLN 122 2HG GLN 122 137.263 13.316 -4.932 341 2HG GLN 122 1HG GLN 122 136.990 14.996 -5.394 342 1HE2 GLN 122 1HE2 GLN 122 137.020 14.892 -7.553 343 2HE2 GLN 122 2HE2 GLN 122 138.340 14.300 -8.499 344 H ALA 123 H ALA 123 135.699 14.292 -3.712 345 HA ALA 123 HA ALA 123 134.683 16.833 -4.160 346 1HB ALA 123 1HB ALA 123 133.336 15.356 -5.194 347 2HB ALA 123 2HB ALA 123 132.418 15.436 -3.690 348 3HB ALA 123 3HB ALA 123 133.563 14.121 -3.956 349 H THR 124 H THR 124 135.009 15.108 -1.171 350 HA THR 124 HA THR 124 133.015 16.582 0.263 351 HB THR 124 HB THR 124 133.734 15.424 2.184 352 HG1 THR 124 HG1 THR 124 135.783 14.469 2.328 353 1HG2 THR 124 1HG2 THR 124 133.043 13.965 0.092 354 2HG2 THR 124 2HG2 THR 124 133.551 13.238 1.617 355 3HG2 THR 124 3HG2 THR 124 134.693 13.370 0.279 356 H GLY 125 H GLY 125 133.885 17.665 2.428 357 1HA GLY 125 2HA GLY 125 135.577 19.861 1.511 358 2HA GLY 125 1HA GLY 125 134.590 19.846 2.965 359 H GLU 126 H GLU 126 136.481 17.040 2.513 360 HA GLU 126 HA GLU 126 138.439 18.047 4.470 361 1HB GLU 126 2HB GLU 126 137.316 15.265 4.113 362 2HB GLU 126 1HB GLU 126 138.660 15.652 5.179 363 1HG GLU 126 2HG GLU 126 136.729 17.448 5.945 364 2HG GLU 126 1HG GLU 126 135.804 15.996 5.573 365 H THR 127 H THR 127 140.557 16.880 4.415 366 HA THR 127 HA THR 127 141.356 16.435 1.619 367 HB THR 127 HB THR 127 143.688 16.937 2.540 368 HG1 THR 127 HG1 THR 127 142.972 16.695 4.772 369 1HG2 THR 127 1HG2 THR 127 143.317 19.393 2.666 370 2HG2 THR 127 2HG2 THR 127 141.584 19.081 2.564 371 3HG2 THR 127 3HG2 THR 127 142.643 18.622 1.231 372 H ILE 128 H ILE 128 142.003 14.474 1.029 373 HA ILE 128 HA ILE 128 142.936 12.610 3.109 374 HB ILE 128 HB ILE 128 141.288 11.751 0.739 375 1HG1 ILE 128 2HG1 ILE 128 139.536 11.389 2.662 376 2HG1 ILE 128 1HG1 ILE 128 140.448 12.660 3.469 377 1HG2 ILE 128 1HG2 ILE 128 142.911 10.265 2.262 378 2HG2 ILE 128 2HG2 ILE 128 141.417 9.646 1.558 379 3HG2 ILE 128 3HG2 ILE 128 141.444 10.183 3.238 380 1HD1 ILE 128 1HD1 ILE 128 139.772 13.313 0.717 381 2HD1 ILE 128 2HD1 ILE 128 139.550 14.247 2.197 382 3HD1 ILE 128 3HD1 ILE 128 138.363 13.027 1.737 383 H THR 129 H THR 129 144.754 11.508 2.652 384 HA THR 129 HA THR 129 146.235 12.211 0.297 385 HB THR 129 HB THR 129 147.850 10.432 1.321 386 HG1 THR 129 HG1 THR 129 147.460 10.017 3.483 387 1HG2 THR 129 1HG2 THR 129 147.623 13.127 1.702 388 2HG2 THR 129 2HG2 THR 129 148.945 12.113 2.281 389 3HG2 THR 129 3HG2 THR 129 147.598 12.501 3.351 390 H GLU 130 H GLU 130 147.294 10.542 -1.068 391 HA GLU 130 HA GLU 130 145.359 8.896 -2.292 392 1HB GLU 130 2HB GLU 130 147.866 9.875 -2.965 393 2HB GLU 130 1HB GLU 130 148.109 8.136 -2.883 394 1HG GLU 130 2HG GLU 130 147.026 7.796 -4.790 395 2HG GLU 130 1HG GLU 130 145.683 8.829 -4.305 396 H ASP 131 H ASP 131 147.789 8.298 0.144 397 HA ASP 131 HA ASP 131 147.865 5.490 -0.005 398 1HB ASP 131 2HB ASP 131 149.357 7.183 1.328 399 2HB ASP 131 1HB ASP 131 148.175 6.927 2.606 400 H ASP 132 H ASP 132 145.797 7.698 1.828 401 HA ASP 132 HA ASP 132 144.462 5.815 3.398 402 1HB ASP 132 2HB ASP 132 144.362 8.510 3.192 403 2HB ASP 132 1HB ASP 132 142.853 8.086 2.387 404 H ILE 133 H ILE 133 143.826 6.928 0.108 405 HA ILE 133 HA ILE 133 141.346 5.677 -0.270 406 HB ILE 133 HB ILE 133 143.449 6.092 -2.397 407 1HG1 ILE 133 2HG1 ILE 133 143.135 8.185 -1.209 408 2HG1 ILE 133 1HG1 ILE 133 142.343 8.286 -2.777 409 1HG2 ILE 133 1HG2 ILE 133 141.060 4.814 -2.600 410 2HG2 ILE 133 2HG2 ILE 133 141.871 5.642 -3.930 411 3HG2 ILE 133 3HG2 ILE 133 140.607 6.468 -3.019 412 1HD1 ILE 133 1HD1 ILE 133 141.249 8.700 -0.190 413 2HD1 ILE 133 2HD1 ILE 133 140.430 7.331 -0.940 414 3HD1 ILE 133 3HD1 ILE 133 140.479 8.890 -1.765 415 H GLU 134 H GLU 134 144.598 4.426 -0.333 416 HA GLU 134 HA GLU 134 143.950 1.973 -1.658 417 1HB GLU 134 2HB GLU 134 146.298 3.302 -0.874 418 2HB GLU 134 1HB GLU 134 146.298 1.784 0.014 419 1HG GLU 134 2HG GLU 134 146.325 0.506 -1.928 420 2HG GLU 134 1HG GLU 134 145.771 1.846 -2.930 421 H GLU 135 H GLU 135 144.479 2.915 1.723 422 HA GLU 135 HA GLU 135 144.033 0.312 2.775 423 1HB GLU 135 2HB GLU 135 144.093 3.061 3.998 424 2HB GLU 135 1HB GLU 135 143.701 1.637 4.953 425 1HG GLU 135 2HG GLU 135 145.956 0.767 3.840 426 2HG GLU 135 1HG GLU 135 146.280 2.499 3.795 427 H LEU 136 H LEU 136 141.960 2.955 1.892 428 HA LEU 136 HA LEU 136 139.698 2.399 3.415 429 1HB LEU 136 2HB LEU 136 140.366 4.153 1.372 430 2HB LEU 136 1HB LEU 136 139.057 3.205 0.693 431 HG LEU 136 HG LEU 136 137.906 3.777 3.013 432 1HD1 LEU 136 1HD1 LEU 136 140.173 5.656 2.795 433 2HD1 LEU 136 2HD1 LEU 136 139.328 5.052 4.221 434 3HD1 LEU 136 3HD1 LEU 136 138.616 6.345 3.254 435 1HD2 LEU 136 1HD2 LEU 136 137.279 6.059 1.755 436 2HD2 LEU 136 2HD2 LEU 136 136.660 4.482 1.260 437 3HD2 LEU 136 3HD2 LEU 136 138.041 5.192 0.422 438 H MET 137 H MET 137 140.688 1.082 0.276 439 HA MET 137 HA MET 137 138.362 -0.559 -0.003 440 1HB MET 137 2HB MET 137 140.986 -0.957 -1.430 441 2HB MET 137 1HB MET 137 139.376 -1.403 -1.977 442 1HG MET 137 2HG MET 137 139.318 1.369 -1.537 443 2HG MET 137 1HG MET 137 140.824 1.029 -2.384 444 1HE MET 137 1HE MET 137 136.572 0.784 -3.474 445 2HE MET 137 2HE MET 137 137.303 0.047 -2.050 446 3HE MET 137 3HE MET 137 137.042 -0.915 -3.504 447 H LYS 138 H LYS 138 141.501 -0.934 1.449 448 HA LYS 138 HA LYS 138 141.533 -3.769 1.554 449 1HB LYS 138 2HB LYS 138 143.186 -1.588 2.461 450 2HB LYS 138 1HB LYS 138 143.014 -2.782 3.740 451 1HG LYS 138 2HG LYS 138 144.240 -4.321 2.651 452 2HG LYS 138 1HG LYS 138 143.596 -3.871 1.071 453 1HD LYS 138 2HD LYS 138 145.664 -3.032 0.751 454 2HD LYS 138 1HD LYS 138 145.035 -1.662 1.667 455 1HE LYS 138 2HE LYS 138 147.129 -2.242 2.629 456 2HE LYS 138 1HE LYS 138 145.878 -2.789 3.744 457 1HZ LYS 138 1HZ LYS 138 147.898 -4.314 2.928 458 2HZ LYS 138 2HZ LYS 138 146.738 -4.732 1.769 459 3HZ LYS 138 3HZ LYS 138 146.401 -4.935 3.413 460 H ASP 139 H ASP 139 140.097 -1.295 3.542 461 HA ASP 139 HA ASP 139 139.602 -2.975 5.803 462 1HB ASP 139 2HB ASP 139 139.616 -0.301 5.476 463 2HB ASP 139 1HB ASP 139 137.884 -0.600 5.360 464 H GLY 140 H GLY 140 138.186 -2.778 2.741 465 1HA GLY 140 2HA GLY 140 135.739 -4.074 3.772 466 2HA GLY 140 1HA GLY 140 135.725 -2.994 2.389 467 H ASP 141 H ASP 141 138.385 -4.238 1.547 468 HA ASP 141 HA ASP 141 137.214 -6.271 -0.115 469 1HB ASP 141 2HB ASP 141 139.866 -4.918 0.062 470 2HB ASP 141 1HB ASP 141 139.784 -6.473 -0.759 471 H LYS 142 H LYS 142 136.613 -7.928 1.290 472 HA LYS 142 HA LYS 142 138.463 -9.130 3.109 473 1HB LYS 142 2HB LYS 142 135.899 -10.316 2.041 474 2HB LYS 142 1HB LYS 142 136.739 -10.761 3.520 475 1HG LYS 142 2HG LYS 142 135.455 -8.090 2.990 476 2HG LYS 142 1HG LYS 142 134.750 -9.396 3.944 477 1HD LYS 142 2HD LYS 142 137.461 -8.668 4.764 478 2HD LYS 142 1HD LYS 142 136.295 -7.356 4.930 479 1HE LYS 142 2HE LYS 142 135.139 -8.410 6.568 480 2HE LYS 142 1HE LYS 142 135.420 -10.010 5.882 481 1HZ LYS 142 1HZ LYS 142 136.545 -9.551 8.054 482 2HZ LYS 142 2HZ LYS 142 137.536 -8.444 7.245 483 3HZ LYS 142 3HZ LYS 142 137.573 -10.080 6.818 484 H ASN 143 H ASN 143 137.484 -9.694 -0.200 485 HA ASN 143 HA ASN 143 138.971 -12.191 -0.344 486 1HB ASN 143 2HB ASN 143 138.184 -12.165 -2.745 487 2HB ASN 143 1HB ASN 143 136.904 -12.209 -1.537 488 1HD2 ASN 143 1HD2 ASN 143 135.349 -11.308 -2.817 489 2HD2 ASN 143 2HD2 ASN 143 135.388 -9.665 -3.345 490 H ASN 144 H ASN 144 139.784 -9.010 -0.441 491 HA ASN 144 HA ASN 144 141.612 -7.863 -1.129 492 1HB ASN 144 2HB ASN 144 142.492 -10.690 -1.230 493 2HB ASN 144 1HB ASN 144 143.487 -9.532 -2.110 494 1HD2 ASN 144 1HD2 ASN 144 145.204 -9.150 -0.909 495 2HD2 ASN 144 2HD2 ASN 144 145.198 -8.754 0.772 496 H ASP 145 H ASP 145 139.438 -8.856 -3.094 497 HA ASP 145 HA ASP 145 140.632 -9.138 -5.627 498 1HB ASP 145 2HB ASP 145 137.891 -8.219 -4.762 499 2HB ASP 145 1HB ASP 145 138.344 -8.367 -6.458 500 H GLY 146 H GLY 146 139.842 -6.347 -3.687 501 1HA GLY 146 2HA GLY 146 141.053 -4.296 -3.999 502 2HA GLY 146 1HA GLY 146 141.142 -4.657 -5.717 503 H ARG 147 H ARG 147 138.066 -5.401 -4.734 504 HA ARG 147 HA ARG 147 137.048 -2.675 -5.047 505 1HB ARG 147 2HB ARG 147 135.992 -4.986 -6.681 506 2HB ARG 147 1HB ARG 147 135.496 -3.303 -6.778 507 1HG ARG 147 2HG ARG 147 138.207 -3.182 -7.241 508 2HG ARG 147 1HG ARG 147 137.718 -4.670 -8.054 509 1HD ARG 147 2HD ARG 147 135.734 -2.934 -8.783 510 2HD ARG 147 1HD ARG 147 137.145 -1.879 -8.723 511 HE ARG 147 HE ARG 147 137.595 -4.327 -10.158 512 1HH1 ARG 147 1HH1 ARG 147 136.417 -1.050 -10.394 513 2HH1 ARG 147 2HH1 ARG 147 136.698 -0.939 -12.098 514 1HH2 ARG 147 1HH2 ARG 147 137.967 -4.182 -12.400 515 2HH2 ARG 147 2HH2 ARG 147 137.578 -2.716 -13.238 516 H ILE 148 H ILE 148 134.822 -2.428 -4.395 517 HA ILE 148 HA ILE 148 134.027 -4.469 -2.429 518 HB ILE 148 HB ILE 148 133.210 -1.563 -2.487 519 1HG1 ILE 148 2HG1 ILE 148 135.223 -2.893 -0.664 520 2HG1 ILE 148 1HG1 ILE 148 135.664 -1.949 -2.084 521 1HG2 ILE 148 1HG2 ILE 148 133.016 -3.453 -0.165 522 2HG2 ILE 148 2HG2 ILE 148 131.725 -3.316 -1.360 523 3HG2 ILE 148 3HG2 ILE 148 132.199 -1.909 -0.406 524 1HD1 ILE 148 1HD1 ILE 148 134.595 0.016 -1.103 525 2HD1 ILE 148 2HD1 ILE 148 135.865 -0.632 -0.064 526 3HD1 ILE 148 3HD1 ILE 148 134.170 -0.933 0.321 527 H ASP 149 H ASP 149 132.398 -5.706 -3.023 528 HA ASP 149 HA ASP 149 130.411 -4.658 -4.917 529 1HB ASP 149 2HB ASP 149 129.791 -7.111 -5.161 530 2HB ASP 149 1HB ASP 149 131.383 -6.655 -5.762 531 H TYR 150 H TYR 150 128.206 -5.972 -4.555 532 HA TYR 150 HA TYR 150 126.949 -4.856 -2.367 533 1HB TYR 150 2HB TYR 150 125.745 -5.739 -4.316 534 2HB TYR 150 1HB TYR 150 126.162 -7.381 -3.836 535 HD1 TYR 150 HD1 TYR 150 124.553 -4.347 -2.350 536 HD2 TYR 150 HD2 TYR 150 124.541 -8.585 -2.723 537 HE1 TYR 150 HE1 TYR 150 122.514 -4.456 -0.981 538 HE2 TYR 150 HE2 TYR 150 122.502 -8.707 -1.356 539 HH TYR 150 HH TYR 150 120.541 -6.156 -0.746 540 H ASP 151 H ASP 151 128.755 -7.825 -2.560 541 HA ASP 151 HA ASP 151 127.771 -8.945 -0.122 542 1HB ASP 151 2HB ASP 151 129.926 -9.583 -2.065 543 2HB ASP 151 1HB ASP 151 130.117 -10.213 -0.432 544 H GLU 152 H GLU 152 130.873 -7.425 -0.998 545 HA GLU 152 HA GLU 152 131.943 -7.366 1.588 546 1HB GLU 152 2HB GLU 152 132.506 -5.333 -0.570 547 2HB GLU 152 1HB GLU 152 133.571 -5.834 0.735 548 1HG GLU 152 2HG GLU 152 132.751 -8.067 -0.917 549 2HG GLU 152 1HG GLU 152 133.555 -6.803 -1.848 550 H PHE 153 H PHE 153 129.622 -5.304 0.024 551 HA PHE 153 HA PHE 153 129.867 -3.040 1.693 552 1HB PHE 153 2HB PHE 153 128.639 -3.215 -0.534 553 2HB PHE 153 1HB PHE 153 127.318 -3.955 0.363 554 HD1 PHE 153 HD1 PHE 153 128.654 -0.933 -0.826 555 HD2 PHE 153 HD2 PHE 153 126.478 -2.591 2.434 556 HE1 PHE 153 HE1 PHE 153 127.782 1.301 -0.277 557 HE2 PHE 153 HE2 PHE 153 125.602 -0.359 2.988 558 HZ PHE 153 HZ PHE 153 126.255 1.590 1.633 559 H LEU 154 H LEU 154 128.220 -6.094 2.061 560 HA LEU 154 HA LEU 154 126.576 -5.263 4.255 561 1HB LEU 154 2HB LEU 154 127.143 -7.781 2.818 562 2HB LEU 154 1HB LEU 154 126.643 -7.955 4.490 563 HG LEU 154 HG LEU 154 124.763 -8.121 2.893 564 1HD1 LEU 154 1HD1 LEU 154 123.484 -6.072 4.014 565 2HD1 LEU 154 2HD1 LEU 154 124.910 -6.101 5.052 566 3HD1 LEU 154 3HD1 LEU 154 123.896 -7.537 4.906 567 1HD2 LEU 154 1HD2 LEU 154 125.257 -6.715 1.118 568 2HD2 LEU 154 2HD2 LEU 154 125.704 -5.373 2.172 569 3HD2 LEU 154 3HD2 LEU 154 124.008 -5.819 1.983 570 H GLU 155 H GLU 155 129.656 -6.978 3.934 571 HA GLU 155 HA GLU 155 129.952 -7.560 6.693 572 1HB GLU 155 2HB GLU 155 132.212 -7.213 4.727 573 2HB GLU 155 1HB GLU 155 132.178 -8.221 6.167 574 1HG GLU 155 2HG GLU 155 130.062 -9.135 4.611 575 2HG GLU 155 1HG GLU 155 131.371 -8.832 3.470 576 H PHE 156 H PHE 156 131.227 -4.963 4.637 577 HA PHE 156 HA PHE 156 132.873 -3.625 6.344 578 1HB PHE 156 2HB PHE 156 131.813 -3.071 3.903 579 2HB PHE 156 1HB PHE 156 131.018 -1.851 4.891 580 HD1 PHE 156 HD1 PHE 156 133.700 -2.359 2.835 581 HD2 PHE 156 HD2 PHE 156 132.784 -0.756 6.668 582 HE1 PHE 156 HE1 PHE 156 135.723 -0.961 2.730 583 HE2 PHE 156 HE2 PHE 156 134.805 0.646 6.569 584 HZ PHE 156 HZ PHE 156 136.276 0.545 4.597 585 H MET 157 H MET 157 129.400 -3.823 6.525 586 HA MET 157 HA MET 157 129.140 -1.681 8.432 587 1HB MET 157 2HB MET 157 127.349 -2.478 6.781 588 2HB MET 157 1HB MET 157 127.088 -3.822 7.882 589 1HG MET 157 2HG MET 157 125.481 -2.035 8.248 590 2HG MET 157 1HG MET 157 126.503 -2.285 9.662 591 1HE MET 157 1HE MET 157 126.705 -0.650 6.294 592 2HE MET 157 2HE MET 157 128.340 -0.124 6.694 593 3HE MET 157 3HE MET 157 127.035 1.056 6.592 594 H LYS 158 H LYS 158 128.235 -5.116 8.733 595 HA LYS 158 HA LYS 158 128.294 -5.133 11.541 596 1HB LYS 158 2HB LYS 158 128.166 -7.199 9.408 597 2HB LYS 158 1HB LYS 158 128.619 -7.737 11.020 598 1HG LYS 158 2HG LYS 158 126.545 -7.483 11.824 599 2HG LYS 158 1HG LYS 158 126.283 -5.974 10.948 600 1HD LYS 158 2HD LYS 158 124.842 -7.220 9.741 601 2HD LYS 158 1HD LYS 158 126.303 -7.741 8.900 602 1HE LYS 158 2HE LYS 158 125.373 -9.183 11.350 603 2HE LYS 158 1HE LYS 158 124.628 -9.518 9.788 604 1HZ LYS 158 1HZ LYS 158 127.561 -9.591 10.119 605 2HZ LYS 158 2HZ LYS 158 126.612 -10.328 8.929 606 3HZ LYS 158 3HZ LYS 158 126.609 -10.935 10.508 607 H GLY 159 H GLY 159 130.451 -3.922 11.556 608 1HA GLY 159 2HA GLY 159 132.435 -4.505 12.893 609 2HA GLY 159 1HA GLY 159 132.628 -5.902 11.841 610 H VAL 160 H VAL 160 132.992 -2.441 12.124 611 HA VAL 160 HA VAL 160 134.213 -2.251 9.485 612 HB VAL 160 HB VAL 160 134.027 0.003 11.467 613 1HG1 VAL 160 1HG1 VAL 160 133.615 0.408 8.581 614 2HG1 VAL 160 2HG1 VAL 160 135.229 -0.119 9.056 615 3HG1 VAL 160 3HG1 VAL 160 134.545 1.355 9.740 616 1HG2 VAL 160 1HG2 VAL 160 131.840 -1.358 10.065 617 2HG2 VAL 160 2HG2 VAL 160 131.879 0.391 9.839 618 3HG2 VAL 160 3HG2 VAL 160 131.799 -0.286 11.465 619 H GLU 161 H GLU 161 135.086 -1.802 12.894 620 HA GLU 161 HA GLU 161 137.801 -1.132 12.373 621 1HB GLU 161 2HB GLU 161 138.090 -1.672 14.832 622 2HB GLU 161 1HB GLU 161 136.911 -0.425 14.452 623 1HG GLU 161 2HG GLU 161 135.795 -3.123 14.591 624 2HG GLU 161 1HG GLU 161 136.486 -2.541 16.105 Start of MODEL 9 1 1H MET 81 1HT MET 81 90.989 -13.321 7.647 2 2H MET 81 2HT MET 81 91.331 -12.183 6.407 3 3H MET 81 3HT MET 81 89.797 -12.953 6.470 4 HA MET 81 HA MET 81 89.424 -10.868 7.298 5 1HB MET 81 2HB MET 81 88.966 -13.095 8.752 6 2HB MET 81 1HB MET 81 89.940 -12.191 9.903 7 1HG MET 81 2HG MET 81 88.315 -10.250 9.393 8 2HG MET 81 1HG MET 81 87.270 -11.515 8.751 9 1HE MET 81 1HE MET 81 85.594 -10.463 11.850 10 2HE MET 81 2HE MET 81 85.145 -11.987 11.085 11 3HE MET 81 3HE MET 81 85.636 -10.615 10.093 12 H VAL 82 H VAL 82 92.264 -12.271 8.910 13 HA VAL 82 HA VAL 82 93.094 -9.619 9.806 14 HB VAL 82 HB VAL 82 93.243 -11.482 11.404 15 1HG1 VAL 82 1HG1 VAL 82 94.236 -13.450 10.992 16 2HG1 VAL 82 2HG1 VAL 82 95.596 -12.703 10.155 17 3HG1 VAL 82 3HG1 VAL 82 94.082 -12.988 9.297 18 1HG2 VAL 82 1HG2 VAL 82 94.769 -9.565 11.586 19 2HG2 VAL 82 2HG2 VAL 82 95.951 -10.424 10.600 20 3HG2 VAL 82 3HG2 VAL 82 95.501 -11.052 12.186 21 H ARG 83 H ARG 83 94.836 -8.531 9.033 22 HA ARG 83 HA ARG 83 96.681 -9.821 7.200 23 1HB ARG 83 2HB ARG 83 94.477 -8.252 6.264 24 2HB ARG 83 1HB ARG 83 95.969 -7.391 5.916 25 1HG ARG 83 2HG ARG 83 96.368 -8.717 4.193 26 2HG ARG 83 1HG ARG 83 96.319 -10.137 5.238 27 1HD ARG 83 2HD ARG 83 94.527 -10.741 4.044 28 2HD ARG 83 1HD ARG 83 93.664 -9.509 4.965 29 HE ARG 83 HE ARG 83 94.695 -8.113 2.895 30 1HH1 ARG 83 1HH1 ARG 83 92.799 -11.037 3.083 31 2HH1 ARG 83 2HH1 ARG 83 92.022 -10.780 1.557 32 1HH2 ARG 83 1HH2 ARG 83 93.675 -7.773 0.887 33 2HH2 ARG 83 2HH2 ARG 83 92.520 -8.928 0.310 34 H CYS 84 H CYS 84 98.636 -9.214 7.817 35 HA CYS 84 HA CYS 84 99.360 -6.479 8.154 36 1HB CYS 84 2HB CYS 84 98.729 -8.106 10.544 37 2HB CYS 84 1HB CYS 84 100.232 -7.191 10.618 38 HG CYS 84 HG CYS 84 97.985 -5.895 11.486 39 H MET 85 H MET 85 100.214 -9.842 8.875 40 HA MET 85 HA MET 85 102.995 -9.520 8.945 41 1HB MET 85 2HB MET 85 101.120 -11.781 8.596 42 2HB MET 85 1HB MET 85 102.757 -12.045 8.010 43 1HG MET 85 2HG MET 85 103.319 -11.019 10.412 44 2HG MET 85 1HG MET 85 101.749 -11.740 10.765 45 1HE MET 85 1HE MET 85 105.757 -13.202 10.319 46 2HE MET 85 2HE MET 85 105.081 -13.487 11.923 47 3HE MET 85 3HE MET 85 104.973 -11.886 11.192 48 H LYS 86 H LYS 86 100.767 -9.810 6.273 49 HA LYS 86 HA LYS 86 103.009 -9.888 4.379 50 1HB LYS 86 2HB LYS 86 100.060 -10.414 3.981 51 2HB LYS 86 1HB LYS 86 101.248 -10.415 2.685 52 1HG LYS 86 2HG LYS 86 102.421 -12.269 3.749 53 2HG LYS 86 1HG LYS 86 101.245 -12.261 5.065 54 1HD LYS 86 2HD LYS 86 99.462 -12.670 3.348 55 2HD LYS 86 1HD LYS 86 100.749 -12.899 2.161 56 1HE LYS 86 2HE LYS 86 101.585 -14.800 3.303 57 2HE LYS 86 1HE LYS 86 100.588 -14.474 4.719 58 1HZ LYS 86 1HZ LYS 86 98.636 -14.793 3.130 59 2HZ LYS 86 2HZ LYS 86 99.483 -16.175 3.615 60 3HZ LYS 86 3HZ LYS 86 99.755 -15.512 2.082 61 H ASP 87 H ASP 87 102.887 -7.503 5.553 62 HA ASP 87 HA ASP 87 101.165 -5.671 4.155 63 1HB ASP 87 2HB ASP 87 102.315 -5.525 6.559 64 2HB ASP 87 1HB ASP 87 103.562 -4.697 5.630 65 H ASP 88 H ASP 88 102.219 -3.679 3.121 66 HA ASP 88 HA ASP 88 104.242 -4.634 1.215 67 1HB ASP 88 2HB ASP 88 103.434 -2.817 -0.259 68 2HB ASP 88 1HB ASP 88 102.153 -3.945 0.177 69 H SER 89 H SER 89 104.743 -3.528 3.936 70 HA SER 89 HA SER 89 106.482 -1.294 3.123 71 1HB SER 89 2HB SER 89 106.148 -0.292 5.345 72 2HB SER 89 1HB SER 89 104.617 -0.451 4.484 73 HG SER 89 HG SER 89 105.616 -2.079 6.576 74 H LYS 90 H LYS 90 108.543 -1.229 4.018 75 HA LYS 90 HA LYS 90 109.319 -3.570 5.630 76 1HB LYS 90 2HB LYS 90 111.097 -2.287 3.561 77 2HB LYS 90 1HB LYS 90 111.333 -3.818 4.392 78 1HG LYS 90 2HG LYS 90 109.149 -4.533 3.223 79 2HG LYS 90 1HG LYS 90 109.450 -3.152 2.166 80 1HD LYS 90 2HD LYS 90 111.766 -4.909 2.624 81 2HD LYS 90 1HD LYS 90 110.425 -5.648 1.745 82 1HE LYS 90 2HE LYS 90 110.497 -3.955 0.067 83 2HE LYS 90 1HE LYS 90 111.630 -2.987 1.008 84 1HZ LYS 90 1HZ LYS 90 113.318 -4.635 0.686 85 2HZ LYS 90 2HZ LYS 90 112.682 -4.227 -0.826 86 3HZ LYS 90 3HZ LYS 90 112.235 -5.680 -0.087 87 H GLY 91 H GLY 91 111.486 -3.217 6.725 88 1HA GLY 91 2HA GLY 91 111.456 -0.531 7.914 89 2HA GLY 91 1HA GLY 91 112.163 -1.967 8.640 90 H LYS 92 H LYS 92 113.848 -0.119 8.900 91 HA LYS 92 HA LYS 92 115.509 0.188 6.523 92 1HB LYS 92 2HB LYS 92 115.749 1.390 9.285 93 2HB LYS 92 1HB LYS 92 116.835 1.734 7.945 94 1HG LYS 92 2HG LYS 92 115.444 3.504 7.729 95 2HG LYS 92 1HG LYS 92 114.550 2.343 6.746 96 1HD LYS 92 2HD LYS 92 112.807 2.848 8.062 97 2HD LYS 92 1HD LYS 92 113.599 1.825 9.261 98 1HE LYS 92 2HE LYS 92 114.592 3.694 10.330 99 2HE LYS 92 1HE LYS 92 114.160 4.769 9.002 100 1HZ LYS 92 1HZ LYS 92 112.662 5.145 10.796 101 2HZ LYS 92 2HZ LYS 92 112.310 3.497 10.942 102 3HZ LYS 92 3HZ LYS 92 111.800 4.352 9.575 103 H THR 93 H THR 93 116.211 -1.992 6.363 104 HA THR 93 HA THR 93 118.122 -2.811 8.448 105 HB THR 93 HB THR 93 116.222 -4.346 8.174 106 HG1 THR 93 HG1 THR 93 117.710 -5.714 8.688 107 1HG2 THR 93 1HG2 THR 93 116.477 -3.861 5.453 108 2HG2 THR 93 2HG2 THR 93 115.409 -5.026 6.236 109 3HG2 THR 93 3HG2 THR 93 117.003 -5.530 5.673 110 H GLU 94 H GLU 94 119.321 -4.869 6.846 111 HA GLU 94 HA GLU 94 121.323 -3.344 5.533 112 1HB GLU 94 2HB GLU 94 120.806 -6.201 6.078 113 2HB GLU 94 1HB GLU 94 121.807 -5.866 4.673 114 1HG GLU 94 2HG GLU 94 123.431 -4.756 5.975 115 2HG GLU 94 1HG GLU 94 122.368 -4.697 7.379 116 H GLU 95 H GLU 95 118.280 -4.277 4.506 117 HA GLU 95 HA GLU 95 118.860 -4.853 1.764 118 1HB GLU 95 2HB GLU 95 116.762 -5.501 3.104 119 2HB GLU 95 1HB GLU 95 116.216 -3.857 2.803 120 1HG GLU 95 2HG GLU 95 115.304 -4.679 0.951 121 2HG GLU 95 1HG GLU 95 116.944 -4.691 0.304 122 H GLU 96 H GLU 96 118.249 -1.983 3.639 123 HA GLU 96 HA GLU 96 117.737 -0.264 1.409 124 1HB GLU 96 2HB GLU 96 118.709 0.638 4.112 125 2HB GLU 96 1HB GLU 96 117.695 1.510 2.971 126 1HG GLU 96 2HG GLU 96 116.471 -0.974 3.795 127 2HG GLU 96 1HG GLU 96 116.862 0.056 5.170 128 H LEU 97 H LEU 97 120.562 -1.453 3.010 129 HA LEU 97 HA LEU 97 122.421 0.532 2.407 130 1HB LEU 97 2HB LEU 97 122.686 -2.448 2.706 131 2HB LEU 97 1HB LEU 97 124.073 -1.423 2.396 132 HG LEU 97 HG LEU 97 122.266 -0.885 4.730 133 1HD1 LEU 97 1HD1 LEU 97 124.741 -2.455 5.149 134 2HD1 LEU 97 2HD1 LEU 97 123.333 -3.311 4.519 135 3HD1 LEU 97 3HD1 LEU 97 123.228 -2.454 6.055 136 1HD2 LEU 97 1HD2 LEU 97 124.537 -0.075 5.612 137 2HD2 LEU 97 2HD2 LEU 97 123.732 0.895 4.379 138 3HD2 LEU 97 3HD2 LEU 97 125.066 -0.169 3.933 139 H SER 98 H SER 98 120.803 -1.666 0.307 140 HA SER 98 HA SER 98 122.676 -1.902 -1.761 141 1HB SER 98 2HB SER 98 120.749 -2.437 -3.195 142 2HB SER 98 1HB SER 98 120.637 -3.270 -1.645 143 HG SER 98 HG SER 98 118.735 -2.384 -1.567 144 H ASP 99 H ASP 99 120.227 0.560 -1.099 145 HA ASP 99 HA ASP 99 120.561 2.030 -3.481 146 1HB ASP 99 2HB ASP 99 118.808 2.158 -1.429 147 2HB ASP 99 1HB ASP 99 119.844 3.524 -1.024 148 H LEU 100 H LEU 100 122.175 2.159 -0.353 149 HA LEU 100 HA LEU 100 123.664 4.527 -0.910 150 1HB LEU 100 2HB LEU 100 123.406 2.619 1.259 151 2HB LEU 100 1HB LEU 100 125.078 3.077 1.007 152 HG LEU 100 HG LEU 100 122.828 5.043 1.433 153 1HD1 LEU 100 1HD1 LEU 100 124.619 3.611 3.321 154 2HD1 LEU 100 2HD1 LEU 100 122.944 4.127 3.518 155 3HD1 LEU 100 3HD1 LEU 100 124.251 5.305 3.643 156 1HD2 LEU 100 1HD2 LEU 100 124.724 5.927 0.167 157 2HD2 LEU 100 2HD2 LEU 100 125.823 5.398 1.441 158 3HD2 LEU 100 3HD2 LEU 100 124.627 6.651 1.771 159 H PHE 101 H PHE 101 124.129 1.132 -1.526 160 HA PHE 101 HA PHE 101 126.899 1.093 -1.932 161 1HB PHE 101 2HB PHE 101 125.446 -0.928 -1.782 162 2HB PHE 101 1HB PHE 101 124.826 -0.560 -3.389 163 HD1 PHE 101 HD1 PHE 101 125.564 -2.342 -4.684 164 HD2 PHE 101 HD2 PHE 101 128.316 -0.323 -2.144 165 HE1 PHE 101 HE1 PHE 101 127.417 -3.613 -5.688 166 HE2 PHE 101 HE2 PHE 101 130.174 -1.590 -3.144 167 HZ PHE 101 HZ PHE 101 129.725 -3.235 -4.918 168 H ARG 102 H ARG 102 124.266 1.580 -4.287 169 HA ARG 102 HA ARG 102 125.905 1.958 -6.528 170 1HB ARG 102 2HB ARG 102 123.141 3.017 -5.920 171 2HB ARG 102 1HB ARG 102 123.913 3.134 -7.495 172 1HG ARG 102 2HG ARG 102 123.804 0.839 -7.858 173 2HG ARG 102 1HG ARG 102 123.562 0.486 -6.146 174 1HD ARG 102 2HD ARG 102 121.526 0.252 -7.620 175 2HD ARG 102 1HD ARG 102 121.337 1.275 -6.197 176 HE ARG 102 HE ARG 102 122.078 2.720 -8.568 177 1HH1 ARG 102 1HH1 ARG 102 119.414 1.420 -6.728 178 2HH1 ARG 102 2HH1 ARG 102 118.256 2.526 -7.385 179 1HH2 ARG 102 1HH2 ARG 102 120.557 4.177 -9.434 180 2HH2 ARG 102 2HH2 ARG 102 118.904 4.091 -8.922 181 H MET 103 H MET 103 124.819 4.161 -4.024 182 HA MET 103 HA MET 103 125.458 6.600 -5.214 183 1HB MET 103 2HB MET 103 125.183 5.627 -2.417 184 2HB MET 103 1HB MET 103 125.988 7.171 -2.658 185 1HG MET 103 2HG MET 103 123.548 6.991 -4.196 186 2HG MET 103 1HG MET 103 123.261 6.715 -2.480 187 1HE MET 103 1HE MET 103 122.029 10.156 -3.335 188 2HE MET 103 2HE MET 103 122.099 8.668 -4.279 189 3HE MET 103 3HE MET 103 123.062 10.065 -4.762 190 H PHE 104 H PHE 104 127.490 4.190 -3.704 191 HA PHE 104 HA PHE 104 129.816 5.887 -3.612 192 1HB PHE 104 2HB PHE 104 129.170 3.085 -2.879 193 2HB PHE 104 1HB PHE 104 130.847 3.423 -3.290 194 HD1 PHE 104 HD1 PHE 104 128.076 4.571 -1.101 195 HD2 PHE 104 HD2 PHE 104 132.281 4.334 -1.711 196 HE1 PHE 104 HE1 PHE 104 128.451 5.450 1.167 197 HE2 PHE 104 HE2 PHE 104 132.663 5.212 0.555 198 HZ PHE 104 HZ PHE 104 130.748 5.771 1.997 199 H ASP 105 H ASP 105 128.292 3.924 -5.972 200 HA ASP 105 HA ASP 105 130.709 3.497 -7.518 201 1HB ASP 105 2HB ASP 105 127.840 2.681 -7.791 202 2HB ASP 105 1HB ASP 105 128.881 2.646 -9.210 203 H LYS 106 H LYS 106 131.140 4.418 -9.531 204 HA LYS 106 HA LYS 106 129.679 6.919 -10.057 205 1HB LYS 106 2HB LYS 106 132.421 6.453 -9.678 206 2HB LYS 106 1HB LYS 106 132.234 6.748 -11.401 207 1HG LYS 106 2HG LYS 106 131.026 8.578 -9.358 208 2HG LYS 106 1HG LYS 106 132.703 8.745 -9.882 209 1HD LYS 106 2HD LYS 106 131.939 8.956 -12.208 210 2HD LYS 106 1HD LYS 106 130.265 8.829 -11.659 211 1HE LYS 106 2HE LYS 106 130.788 10.837 -10.171 212 2HE LYS 106 1HE LYS 106 132.242 11.032 -11.148 213 1HZ LYS 106 1HZ LYS 106 130.221 12.345 -11.847 214 2HZ LYS 106 2HZ LYS 106 129.546 10.881 -12.357 215 3HZ LYS 106 3HZ LYS 106 130.979 11.440 -13.061 216 H ASN 107 H ASN 107 131.201 4.121 -11.608 217 HA ASN 107 HA ASN 107 130.092 4.868 -14.189 218 1HB ASN 107 2HB ASN 107 131.266 2.779 -14.965 219 2HB ASN 107 1HB ASN 107 132.318 4.006 -14.266 220 1HD2 ASN 107 1HD2 ASN 107 132.211 0.915 -14.503 221 2HD2 ASN 107 2HD2 ASN 107 132.693 0.398 -12.928 222 H ALA 108 H ALA 108 128.682 3.613 -11.606 223 HA ALA 108 HA ALA 108 127.003 2.127 -11.163 224 1HB ALA 108 1HB ALA 108 125.193 2.155 -12.879 225 2HB ALA 108 2HB ALA 108 126.279 3.064 -13.931 226 3HB ALA 108 3HB ALA 108 125.760 3.751 -12.393 227 H ASP 109 H ASP 109 128.782 0.427 -11.307 228 HA ASP 109 HA ASP 109 128.081 -1.528 -13.401 229 1HB ASP 109 2HB ASP 109 130.374 -2.397 -13.244 230 2HB ASP 109 1HB ASP 109 130.367 -0.695 -13.699 231 H GLY 110 H GLY 110 128.716 -0.955 -10.016 232 1HA GLY 110 2HA GLY 110 127.381 -2.333 -8.467 233 2HA GLY 110 1HA GLY 110 127.831 -3.718 -9.451 234 H TYR 111 H TYR 111 130.555 -2.009 -9.472 235 HA TYR 111 HA TYR 111 131.524 -3.047 -6.895 236 1HB TYR 111 2HB TYR 111 133.057 -3.162 -9.501 237 2HB TYR 111 1HB TYR 111 133.573 -3.803 -7.946 238 HD1 TYR 111 HD1 TYR 111 132.451 -5.803 -7.001 239 HD2 TYR 111 HD2 TYR 111 131.573 -4.385 -10.915 240 HE1 TYR 111 HE1 TYR 111 131.421 -7.968 -7.547 241 HE2 TYR 111 HE2 TYR 111 130.539 -6.546 -11.472 242 HH TYR 111 HH TYR 111 129.544 -8.716 -9.329 243 H ILE 112 H ILE 112 133.036 -1.796 -5.835 244 HA ILE 112 HA ILE 112 133.483 0.873 -6.993 245 HB ILE 112 HB ILE 112 133.638 0.108 -4.079 246 1HG1 ILE 112 2HG1 ILE 112 131.393 1.627 -5.399 247 2HG1 ILE 112 1HG1 ILE 112 131.346 -0.123 -5.205 248 1HG2 ILE 112 1HG2 ILE 112 133.271 2.863 -5.198 249 2HG2 ILE 112 2HG2 ILE 112 134.878 2.156 -5.023 250 3HG2 ILE 112 3HG2 ILE 112 133.851 2.377 -3.604 251 1HD1 ILE 112 1HD1 ILE 112 131.788 1.710 -2.878 252 2HD1 ILE 112 2HD1 ILE 112 131.261 0.028 -2.877 253 3HD1 ILE 112 3HD1 ILE 112 130.174 1.292 -3.451 254 H ASP 113 H ASP 113 135.488 1.585 -7.358 255 HA ASP 113 HA ASP 113 137.729 -0.069 -6.393 256 1HB ASP 113 2HB ASP 113 137.078 0.320 -8.990 257 2HB ASP 113 1HB ASP 113 138.161 1.687 -8.738 258 H LEU 114 H LEU 114 139.853 1.490 -6.875 259 HA LEU 114 HA LEU 114 139.926 3.254 -4.729 260 1HB LEU 114 2HB LEU 114 141.764 2.206 -6.463 261 2HB LEU 114 1HB LEU 114 141.773 3.899 -6.919 262 HG LEU 114 HG LEU 114 141.965 4.150 -4.239 263 1HD1 LEU 114 1HD1 LEU 114 143.854 1.918 -4.588 264 2HD1 LEU 114 2HD1 LEU 114 142.155 1.474 -4.426 265 3HD1 LEU 114 3HD1 LEU 114 142.942 2.427 -3.167 266 1HD2 LEU 114 1HD2 LEU 114 143.440 5.283 -5.697 267 2HD2 LEU 114 2HD2 LEU 114 144.128 3.773 -6.294 268 3HD2 LEU 114 3HD2 LEU 114 144.456 4.298 -4.643 269 H GLU 115 H GLU 115 139.227 3.858 -8.131 270 HA GLU 115 HA GLU 115 139.293 6.670 -8.035 271 1HB GLU 115 2HB GLU 115 137.630 4.897 -9.831 272 2HB GLU 115 1HB GLU 115 138.005 6.590 -10.115 273 1HG GLU 115 2HG GLU 115 140.452 5.878 -10.079 274 2HG GLU 115 1HG GLU 115 139.846 4.228 -10.211 275 H GLU 116 H GLU 116 136.498 4.457 -7.909 276 HA GLU 116 HA GLU 116 134.546 6.393 -7.438 277 1HB GLU 116 2HB GLU 116 134.684 3.477 -6.684 278 2HB GLU 116 1HB GLU 116 133.256 4.463 -6.400 279 1HG GLU 116 2HG GLU 116 132.638 3.702 -8.411 280 2HG GLU 116 1HG GLU 116 133.688 4.986 -9.005 281 H LEU 117 H LEU 117 136.660 4.679 -5.211 282 HA LEU 117 HA LEU 117 135.390 5.715 -2.855 283 1HB LEU 117 2HB LEU 117 136.643 3.554 -2.955 284 2HB LEU 117 1HB LEU 117 138.126 4.475 -3.118 285 HG LEU 117 HG LEU 117 137.649 5.529 -0.903 286 1HD1 LEU 117 1HD1 LEU 117 136.014 4.142 0.515 287 2HD1 LEU 117 2HD1 LEU 117 135.332 3.632 -1.030 288 3HD1 LEU 117 3HD1 LEU 117 135.350 5.342 -0.593 289 1HD2 LEU 117 1HD2 LEU 117 138.956 3.288 -1.423 290 2HD2 LEU 117 2HD2 LEU 117 137.664 2.592 -0.444 291 3HD2 LEU 117 3HD2 LEU 117 138.700 3.851 0.230 292 H LYS 118 H LYS 118 137.556 7.005 -5.115 293 HA LYS 118 HA LYS 118 138.953 8.737 -3.277 294 1HB LYS 118 2HB LYS 118 139.048 8.160 -6.174 295 2HB LYS 118 1HB LYS 118 139.487 9.797 -5.709 296 1HG LYS 118 2HG LYS 118 140.953 8.447 -3.932 297 2HG LYS 118 1HG LYS 118 140.886 7.244 -5.222 298 1HD LYS 118 2HD LYS 118 141.520 9.267 -6.747 299 2HD LYS 118 1HD LYS 118 142.085 9.981 -5.236 300 1HE LYS 118 2HE LYS 118 144.001 8.904 -5.656 301 2HE LYS 118 1HE LYS 118 143.142 7.463 -5.113 302 1HZ LYS 118 1HZ LYS 118 143.868 8.285 -7.819 303 2HZ LYS 118 2HZ LYS 118 142.404 7.460 -7.631 304 3HZ LYS 118 3HZ LYS 118 143.851 6.742 -7.125 305 H ILE 119 H ILE 119 136.167 8.910 -5.381 306 HA ILE 119 HA ILE 119 135.928 11.762 -5.283 307 HB ILE 119 HB ILE 119 133.597 11.325 -6.153 308 1HG1 ILE 119 2HG1 ILE 119 134.565 8.479 -6.430 309 2HG1 ILE 119 1HG1 ILE 119 133.493 9.001 -5.137 310 1HG2 ILE 119 1HG2 ILE 119 135.397 9.861 -7.972 311 2HG2 ILE 119 2HG2 ILE 119 135.955 11.446 -7.435 312 3HG2 ILE 119 3HG2 ILE 119 134.403 11.289 -8.260 313 1HD1 ILE 119 1HD1 ILE 119 132.911 8.399 -7.915 314 2HD1 ILE 119 2HD1 ILE 119 132.240 9.944 -7.387 315 3HD1 ILE 119 3HD1 ILE 119 131.838 8.464 -6.517 316 H MET 120 H MET 120 134.528 9.066 -3.495 317 HA MET 120 HA MET 120 132.572 10.489 -2.080 318 1HB MET 120 2HB MET 120 133.132 7.905 -2.251 319 2HB MET 120 1HB MET 120 134.007 8.230 -0.760 320 1HG MET 120 2HG MET 120 131.160 9.080 -1.081 321 2HG MET 120 1HG MET 120 131.570 7.427 -0.630 322 1HE MET 120 1HE MET 120 134.225 8.354 1.950 323 2HE MET 120 2HE MET 120 133.559 7.114 0.888 324 3HE MET 120 3HE MET 120 132.958 7.278 2.537 325 H LEU 121 H LEU 121 135.886 9.617 -1.101 326 HA LEU 121 HA LEU 121 135.785 11.039 1.348 327 1HB LEU 121 2HB LEU 121 137.842 9.649 -0.250 328 2HB LEU 121 1HB LEU 121 138.440 10.906 0.818 329 HG LEU 121 HG LEU 121 136.563 8.946 2.009 330 1HD1 LEU 121 1HD1 LEU 121 137.889 7.121 1.944 331 2HD1 LEU 121 2HD1 LEU 121 139.378 8.066 1.923 332 3HD1 LEU 121 3HD1 LEU 121 138.447 7.853 0.440 333 1HD2 LEU 121 1HD2 LEU 121 139.040 10.422 2.861 334 2HD2 LEU 121 2HD2 LEU 121 138.311 9.148 3.840 335 3HD2 LEU 121 3HD2 LEU 121 137.392 10.605 3.459 336 H GLN 122 H GLN 122 137.042 11.854 -1.862 337 HA GLN 122 HA GLN 122 138.162 14.341 -1.164 338 1HB GLN 122 2HB GLN 122 137.206 13.143 -3.746 339 2HB GLN 122 1HB GLN 122 137.745 14.815 -3.686 340 1HG GLN 122 2HG GLN 122 139.598 12.962 -2.416 341 2HG GLN 122 1HG GLN 122 139.330 12.629 -4.127 342 1HE2 GLN 122 1HE2 GLN 122 140.105 15.240 -1.875 343 2HE2 GLN 122 2HE2 GLN 122 141.115 16.122 -2.966 344 H ALA 123 H ALA 123 134.900 13.340 -1.796 345 HA ALA 123 HA ALA 123 133.776 15.854 -2.409 346 1HB ALA 123 1HB ALA 123 131.651 14.836 -2.015 347 2HB ALA 123 2HB ALA 123 132.384 13.552 -1.053 348 3HB ALA 123 3HB ALA 123 132.689 13.638 -2.787 349 H THR 124 H THR 124 134.807 14.437 0.580 350 HA THR 124 HA THR 124 133.200 15.811 2.402 351 HB THR 124 HB THR 124 134.855 15.295 4.051 352 HG1 THR 124 HG1 THR 124 136.668 14.828 1.923 353 1HG2 THR 124 1HG2 THR 124 134.152 13.304 2.087 354 2HG2 THR 124 2HG2 THR 124 134.270 13.172 3.842 355 3HG2 THR 124 3HG2 THR 124 135.707 12.956 2.844 356 H GLY 125 H GLY 125 134.688 17.320 4.068 357 1HA GLY 125 2HA GLY 125 135.341 19.655 2.387 358 2HA GLY 125 1HA GLY 125 134.705 19.745 4.023 359 H GLU 126 H GLU 126 137.061 17.327 3.639 360 HA GLU 126 HA GLU 126 139.129 19.126 4.720 361 1HB GLU 126 2HB GLU 126 139.965 17.087 5.957 362 2HB GLU 126 1HB GLU 126 138.433 17.741 6.521 363 1HG GLU 126 2HG GLU 126 137.218 16.014 5.365 364 2HG GLU 126 1HG GLU 126 138.711 15.397 4.658 365 H THR 127 H THR 127 141.339 17.711 4.664 366 HA THR 127 HA THR 127 141.732 17.168 1.820 367 HB THR 127 HB THR 127 144.204 17.174 2.577 368 HG1 THR 127 HG1 THR 127 144.178 17.131 4.718 369 1HG2 THR 127 1HG2 THR 127 144.229 19.202 1.712 370 2HG2 THR 127 2HG2 THR 127 143.511 19.865 3.179 371 3HG2 THR 127 3HG2 THR 127 142.475 19.280 1.878 372 H ILE 128 H ILE 128 142.087 15.189 1.038 373 HA ILE 128 HA ILE 128 142.879 13.051 2.895 374 HB ILE 128 HB ILE 128 140.812 12.650 0.739 375 1HG1 ILE 128 2HG1 ILE 128 139.958 14.205 2.463 376 2HG1 ILE 128 1HG1 ILE 128 139.116 12.659 2.491 377 1HG2 ILE 128 1HG2 ILE 128 142.291 10.758 1.716 378 2HG2 ILE 128 2HG2 ILE 128 140.554 10.503 1.555 379 3HG2 ILE 128 3HG2 ILE 128 141.244 10.907 3.127 380 1HD1 ILE 128 1HD1 ILE 128 140.588 13.982 4.571 381 2HD1 ILE 128 2HD1 ILE 128 141.231 12.366 4.276 382 3HD1 ILE 128 3HD1 ILE 128 139.523 12.579 4.662 383 H THR 129 H THR 129 144.664 12.081 2.199 384 HA THR 129 HA THR 129 145.600 12.488 -0.498 385 HB THR 129 HB THR 129 147.191 12.573 1.347 386 HG1 THR 129 HG1 THR 129 148.052 11.858 -0.578 387 1HG2 THR 129 1HG2 THR 129 146.679 9.641 1.773 388 2HG2 THR 129 2HG2 THR 129 146.101 10.924 2.836 389 3HG2 THR 129 3HG2 THR 129 147.833 10.662 2.630 390 H GLU 130 H GLU 130 146.602 10.512 -1.630 391 HA GLU 130 HA GLU 130 144.498 8.754 -2.314 392 1HB GLU 130 2HB GLU 130 146.154 7.648 -3.751 393 2HB GLU 130 1HB GLU 130 146.205 9.397 -3.927 394 1HG GLU 130 2HG GLU 130 148.277 9.569 -3.038 395 2HG GLU 130 1HG GLU 130 148.046 8.201 -1.950 396 H ASP 131 H ASP 131 146.916 8.606 0.122 397 HA ASP 131 HA ASP 131 147.052 5.771 0.370 398 1HB ASP 131 2HB ASP 131 147.977 8.109 1.965 399 2HB ASP 131 1HB ASP 131 147.843 6.560 2.795 400 H ASP 132 H ASP 132 145.540 8.219 2.491 401 HA ASP 132 HA ASP 132 144.189 6.498 4.172 402 1HB ASP 132 2HB ASP 132 143.821 9.326 3.341 403 2HB ASP 132 1HB ASP 132 142.470 8.553 4.164 404 H ILE 133 H ILE 133 143.382 7.451 0.917 405 HA ILE 133 HA ILE 133 140.695 6.379 1.077 406 HB ILE 133 HB ILE 133 142.169 7.253 -1.403 407 1HG1 ILE 133 2HG1 ILE 133 140.303 8.951 0.256 408 2HG1 ILE 133 1HG1 ILE 133 142.053 8.997 0.451 409 1HG2 ILE 133 1HG2 ILE 133 139.547 6.189 -0.885 410 2HG2 ILE 133 2HG2 ILE 133 140.330 6.546 -2.425 411 3HG2 ILE 133 3HG2 ILE 133 139.433 7.807 -1.579 412 1HD1 ILE 133 1HD1 ILE 133 142.368 9.879 -1.704 413 2HD1 ILE 133 2HD1 ILE 133 141.017 10.777 -1.011 414 3HD1 ILE 133 3HD1 ILE 133 140.716 9.499 -2.188 415 H GLU 134 H GLU 134 143.785 5.113 0.546 416 HA GLU 134 HA GLU 134 142.904 2.984 -1.222 417 1HB GLU 134 2HB GLU 134 145.525 3.890 -0.122 418 2HB GLU 134 1HB GLU 134 145.375 2.218 -0.642 419 1HG GLU 134 2HG GLU 134 144.895 2.847 -2.863 420 2HG GLU 134 1HG GLU 134 144.631 4.530 -2.405 421 H GLU 135 H GLU 135 143.840 3.435 2.147 422 HA GLU 135 HA GLU 135 143.930 0.733 2.896 423 1HB GLU 135 2HB GLU 135 143.751 1.512 5.177 424 2HB GLU 135 1HB GLU 135 144.799 2.597 4.275 425 1HG GLU 135 2HG GLU 135 142.597 3.962 3.938 426 2HG GLU 135 1HG GLU 135 142.069 3.066 5.362 427 H LEU 136 H LEU 136 141.251 2.987 2.612 428 HA LEU 136 HA LEU 136 139.296 1.523 3.973 429 1HB LEU 136 2HB LEU 136 139.401 3.811 2.235 430 2HB LEU 136 1HB LEU 136 138.036 2.801 1.796 431 HG LEU 136 HG LEU 136 137.755 2.900 4.504 432 1HD1 LEU 136 1HD1 LEU 136 139.704 4.729 4.166 433 2HD1 LEU 136 2HD1 LEU 136 138.496 4.802 5.450 434 3HD1 LEU 136 3HD1 LEU 136 138.277 5.747 3.976 435 1HD2 LEU 136 1HD2 LEU 136 135.932 4.412 4.096 436 2HD2 LEU 136 2HD2 LEU 136 136.047 3.283 2.745 437 3HD2 LEU 136 3HD2 LEU 136 136.650 4.932 2.571 438 H MET 137 H MET 137 140.596 1.185 0.746 439 HA MET 137 HA MET 137 138.577 -0.478 -0.319 440 1HB MET 137 2HB MET 137 141.425 0.102 -1.020 441 2HB MET 137 1HB MET 137 140.612 -1.247 -1.802 442 1HG MET 137 2HG MET 137 139.090 1.255 -1.793 443 2HG MET 137 1HG MET 137 140.601 1.311 -2.698 444 1HE MET 137 1HE MET 137 136.867 -1.163 -3.611 445 2HE MET 137 2HE MET 137 136.842 0.525 -3.103 446 3HE MET 137 3HE MET 137 137.437 -0.718 -2.003 447 H LYS 138 H LYS 138 141.565 -1.169 1.437 448 HA LYS 138 HA LYS 138 141.359 -4.002 1.179 449 1HB LYS 138 2HB LYS 138 143.412 -2.464 1.775 450 2HB LYS 138 1HB LYS 138 142.859 -2.716 3.425 451 1HG LYS 138 2HG LYS 138 143.041 -5.138 3.107 452 2HG LYS 138 1HG LYS 138 143.626 -4.868 1.463 453 1HD LYS 138 2HD LYS 138 145.605 -3.812 2.250 454 2HD LYS 138 1HD LYS 138 144.978 -3.721 3.897 455 1HE LYS 138 2HE LYS 138 146.675 -5.520 3.523 456 2HE LYS 138 1HE LYS 138 145.134 -6.085 4.168 457 1HZ LYS 138 1HZ LYS 138 144.669 -7.225 2.297 458 2HZ LYS 138 2HZ LYS 138 146.348 -7.207 2.094 459 3HZ LYS 138 3HZ LYS 138 145.387 -6.085 1.272 460 H ASP 139 H ASP 139 140.154 -1.644 3.449 461 HA ASP 139 HA ASP 139 139.525 -3.441 5.548 462 1HB ASP 139 2HB ASP 139 138.864 -0.629 4.866 463 2HB ASP 139 1HB ASP 139 137.776 -1.449 5.981 464 H GLY 140 H GLY 140 138.076 -2.878 2.503 465 1HA GLY 140 2HA GLY 140 135.670 -4.343 3.395 466 2HA GLY 140 1HA GLY 140 135.610 -3.082 2.175 467 H ASP 141 H ASP 141 138.302 -4.214 1.176 468 HA ASP 141 HA ASP 141 137.108 -6.005 -0.745 469 1HB ASP 141 2HB ASP 141 138.766 -4.298 -1.426 470 2HB ASP 141 1HB ASP 141 139.987 -5.117 -0.458 471 H LYS 142 H LYS 142 136.606 -7.909 0.267 472 HA LYS 142 HA LYS 142 138.538 -9.282 1.914 473 1HB LYS 142 2HB LYS 142 135.861 -10.222 0.871 474 2HB LYS 142 1HB LYS 142 136.820 -11.019 2.111 475 1HG LYS 142 2HG LYS 142 135.631 -8.260 2.330 476 2HG LYS 142 1HG LYS 142 134.970 -9.726 3.055 477 1HD LYS 142 2HD LYS 142 137.733 -8.665 3.629 478 2HD LYS 142 1HD LYS 142 136.317 -8.299 4.614 479 1HE LYS 142 2HE LYS 142 136.038 -10.874 4.723 480 2HE LYS 142 1HE LYS 142 137.730 -10.910 4.224 481 1HZ LYS 142 1HZ LYS 142 136.940 -10.780 6.762 482 2HZ LYS 142 2HZ LYS 142 137.103 -9.131 6.430 483 3HZ LYS 142 3HZ LYS 142 138.422 -10.168 6.217 484 H ASN 143 H ASN 143 137.456 -9.384 -1.401 485 HA ASN 143 HA ASN 143 138.750 -11.916 -1.938 486 1HB ASN 143 2HB ASN 143 137.434 -9.926 -3.796 487 2HB ASN 143 1HB ASN 143 138.036 -11.509 -4.276 488 1HD2 ASN 143 1HD2 ASN 143 137.108 -13.369 -3.073 489 2HD2 ASN 143 2HD2 ASN 143 135.429 -13.304 -2.671 490 H ASN 144 H ASN 144 139.835 -8.805 -1.553 491 HA ASN 144 HA ASN 144 141.678 -7.638 -2.189 492 1HB ASN 144 2HB ASN 144 142.530 -10.476 -1.957 493 2HB ASN 144 1HB ASN 144 143.670 -9.358 -2.700 494 1HD2 ASN 144 1HD2 ASN 144 143.097 -10.799 0.063 495 2HD2 ASN 144 2HD2 ASN 144 143.581 -9.584 1.192 496 H ASP 145 H ASP 145 139.812 -8.418 -4.341 497 HA ASP 145 HA ASP 145 141.464 -8.931 -6.652 498 1HB ASP 145 2HB ASP 145 139.376 -8.722 -7.924 499 2HB ASP 145 1HB ASP 145 139.174 -9.809 -6.554 500 H GLY 146 H GLY 146 140.027 -6.184 -5.053 501 1HA GLY 146 2HA GLY 146 141.366 -4.092 -5.453 502 2HA GLY 146 1HA GLY 146 141.123 -4.427 -7.161 503 H ARG 147 H ARG 147 138.318 -5.400 -5.921 504 HA ARG 147 HA ARG 147 137.112 -2.748 -5.673 505 1HB ARG 147 2HB ARG 147 136.086 -4.851 -7.588 506 2HB ARG 147 1HB ARG 147 135.374 -3.270 -7.296 507 1HG ARG 147 2HG ARG 147 137.587 -2.303 -8.095 508 2HG ARG 147 1HG ARG 147 137.951 -3.928 -8.680 509 1HD ARG 147 2HD ARG 147 135.301 -2.905 -9.428 510 2HD ARG 147 1HD ARG 147 136.659 -2.016 -10.116 511 HE ARG 147 HE ARG 147 136.920 -4.853 -10.407 512 1HH1 ARG 147 1HH1 ARG 147 135.483 -1.985 -11.779 513 2HH1 ARG 147 2HH1 ARG 147 135.373 -2.649 -13.373 514 1HH2 ARG 147 1HH2 ARG 147 136.777 -5.731 -12.504 515 2HH2 ARG 147 2HH2 ARG 147 136.107 -4.778 -13.785 516 H ILE 148 H ILE 148 135.066 -2.736 -4.642 517 HA ILE 148 HA ILE 148 134.552 -5.171 -3.072 518 HB ILE 148 HB ILE 148 133.730 -2.344 -2.400 519 1HG1 ILE 148 2HG1 ILE 148 135.952 -3.953 -1.137 520 2HG1 ILE 148 1HG1 ILE 148 136.228 -2.786 -2.426 521 1HG2 ILE 148 1HG2 ILE 148 132.402 -4.316 -1.484 522 2HG2 ILE 148 2HG2 ILE 148 133.031 -3.157 -0.313 523 3HG2 ILE 148 3HG2 ILE 148 133.845 -4.704 -0.547 524 1HD1 ILE 148 1HD1 ILE 148 135.189 -1.052 -0.960 525 2HD1 ILE 148 2HD1 ILE 148 136.706 -1.721 -0.360 526 3HD1 ILE 148 3HD1 ILE 148 135.175 -2.248 0.336 527 H ASP 149 H ASP 149 132.623 -6.149 -3.140 528 HA ASP 149 HA ASP 149 130.587 -4.988 -4.907 529 1HB ASP 149 2HB ASP 149 129.674 -7.359 -4.919 530 2HB ASP 149 1HB ASP 149 131.235 -7.129 -5.699 531 H TYR 150 H TYR 150 128.287 -5.904 -4.273 532 HA TYR 150 HA TYR 150 127.541 -4.607 -1.900 533 1HB TYR 150 2HB TYR 150 126.021 -4.998 -3.821 534 2HB TYR 150 1HB TYR 150 125.988 -6.712 -3.421 535 HD1 TYR 150 HD1 TYR 150 125.353 -3.400 -1.805 536 HD2 TYR 150 HD2 TYR 150 124.232 -7.492 -2.137 537 HE1 TYR 150 HE1 TYR 150 123.462 -3.000 -0.286 538 HE2 TYR 150 HE2 TYR 150 122.338 -7.103 -0.619 539 HH TYR 150 HH TYR 150 121.994 -4.199 1.184 540 H ASP 151 H ASP 151 128.715 -7.793 -2.444 541 HA ASP 151 HA ASP 151 127.605 -8.932 -0.048 542 1HB ASP 151 2HB ASP 151 128.776 -9.957 -2.352 543 2HB ASP 151 1HB ASP 151 129.967 -10.285 -1.095 544 H GLU 152 H GLU 152 130.872 -7.965 -1.077 545 HA GLU 152 HA GLU 152 132.059 -8.348 1.461 546 1HB GLU 152 2HB GLU 152 133.035 -6.511 -0.727 547 2HB GLU 152 1HB GLU 152 133.994 -7.262 0.541 548 1HG GLU 152 2HG GLU 152 133.500 -9.470 -0.431 549 2HG GLU 152 1HG GLU 152 132.619 -8.673 -1.733 550 H PHE 153 H PHE 153 130.595 -5.547 -0.117 551 HA PHE 153 HA PHE 153 131.421 -3.691 1.889 552 1HB PHE 153 2HB PHE 153 130.290 -3.488 -0.635 553 2HB PHE 153 1HB PHE 153 129.018 -2.912 0.438 554 HD1 PHE 153 HD1 PHE 153 130.179 -1.408 2.462 555 HD2 PHE 153 HD2 PHE 153 131.518 -1.796 -1.557 556 HE1 PHE 153 HE1 PHE 153 131.309 0.769 2.635 557 HE2 PHE 153 HE2 PHE 153 132.652 0.382 -1.393 558 HZ PHE 153 HZ PHE 153 132.548 1.668 0.705 559 H LEU 154 H LEU 154 128.740 -5.871 1.542 560 HA LEU 154 HA LEU 154 126.894 -4.678 3.270 561 1HB LEU 154 2HB LEU 154 127.225 -7.195 1.957 562 2HB LEU 154 1HB LEU 154 126.770 -7.495 3.622 563 HG LEU 154 HG LEU 154 124.752 -6.194 3.370 564 1HD1 LEU 154 1HD1 LEU 154 125.020 -5.782 0.475 565 2HD1 LEU 154 2HD1 LEU 154 126.069 -4.777 1.472 566 3HD1 LEU 154 3HD1 LEU 154 124.322 -4.740 1.714 567 1HD2 LEU 154 1HD2 LEU 154 125.359 -8.378 1.464 568 2HD2 LEU 154 2HD2 LEU 154 123.855 -7.488 1.224 569 3HD2 LEU 154 3HD2 LEU 154 124.164 -8.300 2.757 570 H GLU 155 H GLU 155 129.706 -6.683 3.917 571 HA GLU 155 HA GLU 155 129.162 -6.951 6.722 572 1HB GLU 155 2HB GLU 155 131.583 -7.537 5.023 573 2HB GLU 155 1HB GLU 155 131.575 -7.772 6.766 574 1HG GLU 155 2HG GLU 155 129.580 -9.273 6.437 575 2HG GLU 155 1HG GLU 155 129.907 -9.183 4.706 576 H PHE 156 H PHE 156 130.843 -4.686 4.691 577 HA PHE 156 HA PHE 156 132.563 -3.479 6.508 578 1HB PHE 156 2HB PHE 156 131.893 -3.038 3.899 579 2HB PHE 156 1HB PHE 156 131.183 -1.626 4.676 580 HD1 PHE 156 HD1 PHE 156 133.772 -2.281 2.789 581 HD2 PHE 156 HD2 PHE 156 133.090 -1.047 6.804 582 HE1 PHE 156 HE1 PHE 156 135.977 -1.192 2.828 583 HE2 PHE 156 HE2 PHE 156 135.295 0.043 6.849 584 HZ PHE 156 HZ PHE 156 136.742 -0.028 4.858 585 H MET 157 H MET 157 129.100 -3.158 6.136 586 HA MET 157 HA MET 157 129.026 -1.008 8.117 587 1HB MET 157 2HB MET 157 127.314 -1.867 5.938 588 2HB MET 157 1HB MET 157 126.400 -1.671 7.428 589 1HG MET 157 2HG MET 157 126.434 0.361 6.056 590 2HG MET 157 1HG MET 157 127.151 0.603 7.648 591 1HE MET 157 1HE MET 157 127.646 1.301 3.900 592 2HE MET 157 2HE MET 157 127.956 -0.432 4.015 593 3HE MET 157 3HE MET 157 129.264 0.672 3.588 594 H LYS 158 H LYS 158 129.658 -3.936 8.635 595 HA LYS 158 HA LYS 158 127.452 -4.909 10.188 596 1HB LYS 158 2HB LYS 158 129.254 -6.284 8.972 597 2HB LYS 158 1HB LYS 158 130.268 -5.943 10.368 598 1HG LYS 158 2HG LYS 158 129.274 -8.074 10.696 599 2HG LYS 158 1HG LYS 158 128.489 -6.947 11.805 600 1HD LYS 158 2HD LYS 158 126.988 -6.851 9.439 601 2HD LYS 158 1HD LYS 158 127.336 -8.559 9.714 602 1HE LYS 158 2HE LYS 158 126.653 -7.774 12.212 603 2HE LYS 158 1HE LYS 158 125.650 -6.694 11.245 604 1HZ LYS 158 1HZ LYS 158 125.677 -9.513 10.493 605 2HZ LYS 158 2HZ LYS 158 124.406 -8.399 10.464 606 3HZ LYS 158 3HZ LYS 158 124.871 -9.112 11.925 607 H GLY 159 H GLY 159 128.947 -2.283 10.918 608 1HA GLY 159 2HA GLY 159 128.545 -1.528 13.233 609 2HA GLY 159 1HA GLY 159 129.327 -3.006 13.757 610 H VAL 160 H VAL 160 131.103 -2.080 11.170 611 HA VAL 160 HA VAL 160 133.411 -1.483 12.489 612 HB VAL 160 HB VAL 160 134.260 -0.470 10.461 613 1HG1 VAL 160 1HG1 VAL 160 133.759 -2.957 10.615 614 2HG1 VAL 160 2HG1 VAL 160 133.983 -2.290 8.997 615 3HG1 VAL 160 3HG1 VAL 160 132.358 -2.628 9.595 616 1HG2 VAL 160 1HG2 VAL 160 131.361 -0.285 9.660 617 2HG2 VAL 160 2HG2 VAL 160 132.700 -0.107 8.526 618 3HG2 VAL 160 3HG2 VAL 160 132.514 1.034 9.858 619 H GLU 161 H GLU 161 130.956 0.840 11.414 620 HA GLU 161 HA GLU 161 132.408 3.062 12.580 621 1HB GLU 161 2HB GLU 161 129.810 2.819 11.080 622 2HB GLU 161 1HB GLU 161 130.282 4.320 11.863 623 1HG GLU 161 2HG GLU 161 132.185 2.997 9.996 624 2HG GLU 161 1HG GLU 161 130.816 3.895 9.344 Start of MODEL 10 1 1H MET 81 1HT MET 81 89.018 -3.392 4.117 2 2H MET 81 2HT MET 81 90.686 -3.133 3.810 3 3H MET 81 3HT MET 81 89.670 -1.810 4.216 4 HA MET 81 HA MET 81 90.813 -2.249 6.129 5 1HB MET 81 2HB MET 81 88.121 -2.407 6.004 6 2HB MET 81 1HB MET 81 88.472 -3.968 6.733 7 1HG MET 81 2HG MET 81 89.928 -2.591 8.373 8 2HG MET 81 1HG MET 81 88.970 -1.227 7.802 9 1HE MET 81 1HE MET 81 88.926 -2.504 11.077 10 2HE MET 81 2HE MET 81 87.336 -1.752 11.211 11 3HE MET 81 3HE MET 81 88.618 -0.951 10.301 12 H VAL 82 H VAL 82 92.365 -3.490 6.947 13 HA VAL 82 HA VAL 82 92.267 -6.386 6.421 14 HB VAL 82 HB VAL 82 94.181 -5.238 5.385 15 1HG1 VAL 82 1HG1 VAL 82 95.590 -4.757 7.907 16 2HG1 VAL 82 2HG1 VAL 82 94.226 -3.680 7.619 17 3HG1 VAL 82 3HG1 VAL 82 95.528 -3.787 6.436 18 1HG2 VAL 82 1HG2 VAL 82 95.003 -7.017 7.679 19 2HG2 VAL 82 2HG2 VAL 82 95.920 -6.719 6.202 20 3HG2 VAL 82 3HG2 VAL 82 94.380 -7.574 6.125 21 H ARG 83 H ARG 83 92.980 -7.829 8.067 22 HA ARG 83 HA ARG 83 93.585 -6.929 10.704 23 1HB ARG 83 2HB ARG 83 90.976 -6.678 10.272 24 2HB ARG 83 1HB ARG 83 90.991 -8.397 10.636 25 1HG ARG 83 2HG ARG 83 91.945 -7.986 12.801 26 2HG ARG 83 1HG ARG 83 92.136 -6.271 12.434 27 1HD ARG 83 2HD ARG 83 89.412 -7.353 12.131 28 2HD ARG 83 1HD ARG 83 90.036 -7.305 13.779 29 HE ARG 83 HE ARG 83 89.285 -5.066 12.142 30 1HH1 ARG 83 1HH1 ARG 83 91.234 -6.111 14.844 31 2HH1 ARG 83 2HH1 ARG 83 91.314 -4.533 15.555 32 1HH2 ARG 83 1HH2 ARG 83 89.392 -2.992 13.076 33 2HH2 ARG 83 2HH2 ARG 83 90.268 -2.762 14.553 34 H CYS 84 H CYS 84 94.701 -8.728 8.791 35 HA CYS 84 HA CYS 84 94.910 -11.079 10.479 36 1HB CYS 84 2HB CYS 84 93.056 -11.432 8.718 37 2HB CYS 84 1HB CYS 84 94.371 -11.505 7.548 38 HG CYS 84 HG CYS 84 93.474 -13.843 8.906 39 H MET 85 H MET 85 96.912 -11.961 10.445 40 HA MET 85 HA MET 85 99.138 -12.174 10.032 41 1HB MET 85 2HB MET 85 97.935 -11.882 7.336 42 2HB MET 85 1HB MET 85 99.676 -11.665 7.447 43 1HG MET 85 2HG MET 85 99.941 -13.857 8.390 44 2HG MET 85 1HG MET 85 98.193 -14.076 8.463 45 1HE MET 85 1HE MET 85 100.287 -16.290 5.847 46 2HE MET 85 2HE MET 85 98.700 -16.656 6.524 47 3HE MET 85 3HE MET 85 99.983 -16.043 7.568 48 H LYS 86 H LYS 86 101.061 -10.919 8.832 49 HA LYS 86 HA LYS 86 100.617 -8.034 9.207 50 1HB LYS 86 2HB LYS 86 101.931 -9.490 11.049 51 2HB LYS 86 1HB LYS 86 103.267 -9.131 9.963 52 1HG LYS 86 2HG LYS 86 103.293 -6.937 10.495 53 2HG LYS 86 1HG LYS 86 101.544 -6.856 10.716 54 1HD LYS 86 2HD LYS 86 102.998 -8.507 12.675 55 2HD LYS 86 1HD LYS 86 103.335 -6.776 12.741 56 1HE LYS 86 2HE LYS 86 100.652 -6.725 12.536 57 2HE LYS 86 1HE LYS 86 100.863 -8.258 13.378 58 1HZ LYS 86 1HZ LYS 86 102.129 -7.118 15.081 59 2HZ LYS 86 2HZ LYS 86 100.602 -6.410 14.919 60 3HZ LYS 86 3HZ LYS 86 101.961 -5.645 14.265 61 H ASP 87 H ASP 87 102.577 -6.767 8.339 62 HA ASP 87 HA ASP 87 103.614 -8.045 5.901 63 1HB ASP 87 2HB ASP 87 101.621 -6.187 5.832 64 2HB ASP 87 1HB ASP 87 103.044 -5.157 5.698 65 H ASP 88 H ASP 88 105.084 -5.931 4.922 66 HA ASP 88 HA ASP 88 107.078 -5.539 7.055 67 1HB ASP 88 2HB ASP 88 107.518 -5.692 4.065 68 2HB ASP 88 1HB ASP 88 108.774 -5.463 5.278 69 H SER 89 H SER 89 106.571 -3.548 7.835 70 HA SER 89 HA SER 89 106.477 -1.336 5.891 71 1HB SER 89 2HB SER 89 105.199 -1.512 8.629 72 2HB SER 89 1HB SER 89 105.167 -0.090 7.587 73 HG SER 89 HG SER 89 103.563 -0.959 6.568 74 H LYS 90 H LYS 90 108.320 -2.737 8.344 75 HA LYS 90 HA LYS 90 109.366 -0.791 9.894 76 1HB LYS 90 2HB LYS 90 110.939 -2.938 8.464 77 2HB LYS 90 1HB LYS 90 111.502 -2.032 9.861 78 1HG LYS 90 2HG LYS 90 109.723 -2.966 11.218 79 2HG LYS 90 1HG LYS 90 109.090 -3.833 9.818 80 1HD LYS 90 2HD LYS 90 111.941 -4.261 10.509 81 2HD LYS 90 1HD LYS 90 110.735 -4.965 11.586 82 1HE LYS 90 2HE LYS 90 111.175 -6.643 10.012 83 2HE LYS 90 1HE LYS 90 109.658 -5.920 9.481 84 1HZ LYS 90 1HZ LYS 90 112.076 -4.753 8.373 85 2HZ LYS 90 2HZ LYS 90 110.599 -5.095 7.626 86 3HZ LYS 90 3HZ LYS 90 111.728 -6.330 7.870 87 H GLY 91 H GLY 91 111.556 0.280 9.742 88 1HA GLY 91 2HA GLY 91 111.535 2.019 7.452 89 2HA GLY 91 1HA GLY 91 112.622 2.116 8.827 90 H LYS 92 H LYS 92 114.647 2.034 8.151 91 HA LYS 92 HA LYS 92 115.342 0.570 5.744 92 1HB LYS 92 2HB LYS 92 117.625 1.563 6.182 93 2HB LYS 92 1HB LYS 92 116.330 2.719 5.899 94 1HG LYS 92 2HG LYS 92 116.622 2.099 8.710 95 2HG LYS 92 1HG LYS 92 118.119 2.716 8.007 96 1HD LYS 92 2HD LYS 92 116.491 4.495 6.946 97 2HD LYS 92 1HD LYS 92 115.467 4.043 8.309 98 1HE LYS 92 2HE LYS 92 117.588 4.417 9.731 99 2HE LYS 92 1HE LYS 92 118.189 5.295 8.326 100 1HZ LYS 92 1HZ LYS 92 116.533 6.893 8.521 101 2HZ LYS 92 2HZ LYS 92 116.976 6.603 10.128 102 3HZ LYS 92 3HZ LYS 92 115.557 5.924 9.507 103 H THR 93 H THR 93 115.936 -1.470 5.789 104 HA THR 93 HA THR 93 117.182 -2.545 8.235 105 HB THR 93 HB THR 93 116.024 -4.410 6.240 106 HG1 THR 93 HG1 THR 93 113.918 -4.023 7.078 107 1HG2 THR 93 1HG2 THR 93 115.085 -4.641 8.956 108 2HG2 THR 93 2HG2 THR 93 116.846 -4.598 8.876 109 3HG2 THR 93 3HG2 THR 93 115.951 -5.806 7.955 110 H GLU 94 H GLU 94 117.841 -5.048 6.730 111 HA GLU 94 HA GLU 94 120.471 -4.347 5.942 112 1HB GLU 94 2HB GLU 94 119.046 -6.709 6.528 113 2HB GLU 94 1HB GLU 94 119.684 -6.909 4.902 114 1HG GLU 94 2HG GLU 94 121.866 -5.944 6.139 115 2HG GLU 94 1HG GLU 94 121.084 -6.770 7.487 116 H GLU 95 H GLU 95 117.620 -3.938 4.310 117 HA GLU 95 HA GLU 95 118.638 -4.544 1.657 118 1HB GLU 95 2HB GLU 95 116.265 -4.979 2.235 119 2HB GLU 95 1HB GLU 95 116.026 -3.255 2.474 120 1HG GLU 95 2HG GLU 95 115.370 -3.233 0.350 121 2HG GLU 95 1HG GLU 95 117.086 -3.341 -0.041 122 H GLU 96 H GLU 96 118.331 -1.841 3.793 123 HA GLU 96 HA GLU 96 118.466 0.217 1.834 124 1HB GLU 96 2HB GLU 96 118.853 1.717 3.677 125 2HB GLU 96 1HB GLU 96 117.630 0.547 4.154 126 1HG GLU 96 2HG GLU 96 118.824 0.009 5.930 127 2HG GLU 96 1HG GLU 96 120.157 -0.495 4.894 128 H LEU 97 H LEU 97 120.834 -1.750 3.459 129 HA LEU 97 HA LEU 97 123.124 -0.219 3.194 130 1HB LEU 97 2HB LEU 97 122.487 -3.020 3.594 131 2HB LEU 97 1HB LEU 97 123.944 -2.826 2.637 132 HG LEU 97 HG LEU 97 123.677 -1.257 5.162 133 1HD1 LEU 97 1HD1 LEU 97 123.868 -4.196 4.960 134 2HD1 LEU 97 2HD1 LEU 97 123.245 -3.180 6.262 135 3HD1 LEU 97 3HD1 LEU 97 124.985 -3.407 6.074 136 1HD2 LEU 97 1HD2 LEU 97 125.857 -2.324 3.427 137 2HD2 LEU 97 2HD2 LEU 97 126.182 -1.992 5.128 138 3HD2 LEU 97 3HD2 LEU 97 125.623 -0.698 4.068 139 H SER 98 H SER 98 121.272 -1.822 0.744 140 HA SER 98 HA SER 98 123.330 -1.873 -1.241 141 1HB SER 98 2HB SER 98 121.542 -2.457 -2.797 142 2HB SER 98 1HB SER 98 121.370 -3.390 -1.310 143 HG SER 98 HG SER 98 119.427 -2.606 -1.271 144 H ASP 99 H ASP 99 120.781 0.361 -0.319 145 HA ASP 99 HA ASP 99 120.837 2.066 -2.530 146 1HB ASP 99 2HB ASP 99 119.470 1.988 -0.143 147 2HB ASP 99 1HB ASP 99 120.464 3.431 0.041 148 H LEU 100 H LEU 100 122.694 2.205 0.496 149 HA LEU 100 HA LEU 100 124.141 4.540 -0.152 150 1HB LEU 100 2HB LEU 100 124.871 2.276 1.707 151 2HB LEU 100 1HB LEU 100 125.671 3.837 1.656 152 HG LEU 100 HG LEU 100 122.728 3.765 2.146 153 1HD1 LEU 100 1HD1 LEU 100 122.832 2.994 4.264 154 2HD1 LEU 100 2HD1 LEU 100 124.460 3.620 4.529 155 3HD1 LEU 100 3HD1 LEU 100 124.228 2.115 3.641 156 1HD2 LEU 100 1HD2 LEU 100 124.483 5.784 1.927 157 2HD2 LEU 100 2HD2 LEU 100 124.595 5.476 3.660 158 3HD2 LEU 100 3HD2 LEU 100 123.036 5.859 2.932 159 H PHE 101 H PHE 101 124.493 1.240 -1.112 160 HA PHE 101 HA PHE 101 127.237 1.213 -1.724 161 1HB PHE 101 2HB PHE 101 125.758 -0.804 -1.604 162 2HB PHE 101 1HB PHE 101 125.053 -0.323 -3.145 163 HD1 PHE 101 HD1 PHE 101 126.374 -0.419 -5.199 164 HD2 PHE 101 HD2 PHE 101 127.940 -1.775 -1.482 165 HE1 PHE 101 HE1 PHE 101 128.166 -1.609 -6.392 166 HE2 PHE 101 HE2 PHE 101 129.736 -2.966 -2.669 167 HZ PHE 101 HZ PHE 101 129.851 -2.884 -5.127 168 H ARG 102 H ARG 102 124.428 1.789 -3.859 169 HA ARG 102 HA ARG 102 125.826 2.321 -6.192 170 1HB ARG 102 2HB ARG 102 123.215 2.215 -5.564 171 2HB ARG 102 1HB ARG 102 123.407 3.960 -5.664 172 1HG ARG 102 2HG ARG 102 123.789 3.932 -7.908 173 2HG ARG 102 1HG ARG 102 124.492 2.313 -7.882 174 1HD ARG 102 2HD ARG 102 122.545 1.529 -8.611 175 2HD ARG 102 1HD ARG 102 121.839 1.988 -7.060 176 HE ARG 102 HE ARG 102 121.492 3.314 -9.589 177 1HH1 ARG 102 1HH1 ARG 102 121.379 3.687 -6.120 178 2HH1 ARG 102 2HH1 ARG 102 120.287 5.029 -6.175 179 1HH2 ARG 102 1HH2 ARG 102 120.053 5.077 -9.662 180 2HH2 ARG 102 2HH2 ARG 102 119.531 5.817 -8.186 181 H MET 103 H MET 103 124.882 4.542 -3.596 182 HA MET 103 HA MET 103 125.671 6.944 -4.731 183 1HB MET 103 2HB MET 103 125.467 5.940 -1.926 184 2HB MET 103 1HB MET 103 126.258 7.487 -2.207 185 1HG MET 103 2HG MET 103 124.128 8.047 -3.569 186 2HG MET 103 1HG MET 103 123.414 6.706 -2.672 187 1HE MET 103 1HE MET 103 121.993 8.986 -2.619 188 2HE MET 103 2HE MET 103 122.077 10.094 -1.250 189 3HE MET 103 3HE MET 103 121.534 8.434 -1.009 190 H PHE 104 H PHE 104 127.606 4.357 -3.454 191 HA PHE 104 HA PHE 104 130.023 5.957 -3.375 192 1HB PHE 104 2HB PHE 104 129.249 3.211 -2.556 193 2HB PHE 104 1HB PHE 104 130.932 3.454 -3.012 194 HD1 PHE 104 HD1 PHE 104 131.991 3.211 -0.939 195 HD2 PHE 104 HD2 PHE 104 128.724 5.908 -1.336 196 HE1 PHE 104 HE1 PHE 104 132.470 4.116 1.299 197 HE2 PHE 104 HE2 PHE 104 129.197 6.819 0.901 198 HZ PHE 104 HZ PHE 104 131.073 5.922 2.221 199 H ASP 105 H ASP 105 128.310 4.186 -5.707 200 HA ASP 105 HA ASP 105 130.704 3.632 -7.295 201 1HB ASP 105 2HB ASP 105 128.491 2.116 -6.923 202 2HB ASP 105 1HB ASP 105 128.034 2.976 -8.391 203 H LYS 106 H LYS 106 131.080 4.549 -9.294 204 HA LYS 106 HA LYS 106 129.394 6.874 -9.955 205 1HB LYS 106 2HB LYS 106 132.359 6.464 -10.051 206 2HB LYS 106 1HB LYS 106 131.606 7.617 -11.143 207 1HG LYS 106 2HG LYS 106 130.828 7.852 -8.315 208 2HG LYS 106 1HG LYS 106 132.510 8.232 -8.687 209 1HD LYS 106 2HD LYS 106 131.971 10.107 -9.822 210 2HD LYS 106 1HD LYS 106 130.524 9.385 -10.526 211 1HE LYS 106 2HE LYS 106 129.987 11.236 -9.003 212 2HE LYS 106 1HE LYS 106 129.318 9.702 -8.447 213 1HZ LYS 106 1HZ LYS 106 130.983 9.519 -6.804 214 2HZ LYS 106 2HZ LYS 106 130.407 11.106 -6.703 215 3HZ LYS 106 3HZ LYS 106 131.889 10.791 -7.455 216 H ASN 107 H ASN 107 131.306 4.215 -11.286 217 HA ASN 107 HA ASN 107 130.498 4.784 -13.993 218 1HB ASN 107 2HB ASN 107 131.799 2.241 -13.032 219 2HB ASN 107 1HB ASN 107 131.868 2.961 -14.638 220 1HD2 ASN 107 1HD2 ASN 107 132.493 5.542 -14.119 221 2HD2 ASN 107 2HD2 ASN 107 134.049 5.643 -13.372 222 H ALA 108 H ALA 108 128.801 3.540 -11.486 223 HA ALA 108 HA ALA 108 127.028 2.120 -11.246 224 1HB ALA 108 1HB ALA 108 125.635 2.117 -13.531 225 2HB ALA 108 2HB ALA 108 126.696 3.490 -13.845 226 3HB ALA 108 3HB ALA 108 125.656 3.486 -12.421 227 H ASP 109 H ASP 109 128.924 0.456 -11.321 228 HA ASP 109 HA ASP 109 128.269 -1.536 -13.393 229 1HB ASP 109 2HB ASP 109 130.640 -2.358 -13.085 230 2HB ASP 109 1HB ASP 109 130.479 -0.788 -13.867 231 H GLY 110 H GLY 110 128.223 -0.845 -10.102 232 1HA GLY 110 2HA GLY 110 127.232 -2.285 -8.511 233 2HA GLY 110 1HA GLY 110 127.688 -3.660 -9.508 234 H TYR 111 H TYR 111 130.421 -2.057 -9.611 235 HA TYR 111 HA TYR 111 131.407 -3.030 -7.012 236 1HB TYR 111 2HB TYR 111 132.863 -3.240 -9.657 237 2HB TYR 111 1HB TYR 111 133.448 -3.807 -8.096 238 HD1 TYR 111 HD1 TYR 111 133.012 -5.995 -7.414 239 HD2 TYR 111 HD2 TYR 111 130.689 -4.300 -10.550 240 HE1 TYR 111 HE1 TYR 111 131.969 -8.184 -7.816 241 HE2 TYR 111 HE2 TYR 111 129.639 -6.486 -10.961 242 HH TYR 111 HH TYR 111 130.252 -8.925 -10.567 243 H ILE 112 H ILE 112 132.973 -1.797 -6.007 244 HA ILE 112 HA ILE 112 133.443 0.849 -7.210 245 HB ILE 112 HB ILE 112 133.671 0.118 -4.292 246 1HG1 ILE 112 2HG1 ILE 112 131.404 1.636 -5.578 247 2HG1 ILE 112 1HG1 ILE 112 131.342 -0.105 -5.320 248 1HG2 ILE 112 1HG2 ILE 112 134.876 2.044 -4.445 249 2HG2 ILE 112 2HG2 ILE 112 133.263 2.738 -4.278 250 3HG2 ILE 112 3HG2 ILE 112 134.006 2.606 -5.873 251 1HD1 ILE 112 1HD1 ILE 112 131.988 1.653 -3.013 252 2HD1 ILE 112 2HD1 ILE 112 131.153 0.100 -3.055 253 3HD1 ILE 112 3HD1 ILE 112 130.321 1.563 -3.583 254 H ASP 113 H ASP 113 135.460 1.542 -7.597 255 HA ASP 113 HA ASP 113 137.669 -0.245 -6.834 256 1HB ASP 113 2HB ASP 113 136.949 0.734 -9.331 257 2HB ASP 113 1HB ASP 113 138.304 1.755 -8.860 258 H LEU 114 H LEU 114 139.820 0.915 -6.611 259 HA LEU 114 HA LEU 114 139.714 2.691 -4.458 260 1HB LEU 114 2HB LEU 114 142.172 3.137 -5.138 261 2HB LEU 114 1HB LEU 114 141.706 1.538 -4.592 262 HG LEU 114 HG LEU 114 141.490 1.855 -7.489 263 1HD1 LEU 114 1HD1 LEU 114 143.567 3.264 -6.574 264 2HD1 LEU 114 2HD1 LEU 114 143.619 2.343 -8.079 265 3HD1 LEU 114 3HD1 LEU 114 144.304 1.662 -6.603 266 1HD2 LEU 114 1HD2 LEU 114 141.367 -0.328 -6.820 267 2HD2 LEU 114 2HD2 LEU 114 142.523 -0.108 -5.507 268 3HD2 LEU 114 3HD2 LEU 114 143.091 -0.211 -7.174 269 H GLU 115 H GLU 115 140.233 3.307 -7.909 270 HA GLU 115 HA GLU 115 140.660 6.101 -7.616 271 1HB GLU 115 2HB GLU 115 140.553 4.177 -9.766 272 2HB GLU 115 1HB GLU 115 139.673 5.635 -10.206 273 1HG GLU 115 2HG GLU 115 141.621 6.518 -10.775 274 2HG GLU 115 1HG GLU 115 142.010 6.576 -9.056 275 H GLU 116 H GLU 116 137.835 4.135 -7.673 276 HA GLU 116 HA GLU 116 136.053 6.289 -8.432 277 1HB GLU 116 2HB GLU 116 135.872 3.607 -8.704 278 2HB GLU 116 1HB GLU 116 134.959 3.820 -7.217 279 1HG GLU 116 2HG GLU 116 133.418 5.290 -8.292 280 2HG GLU 116 1HG GLU 116 134.401 5.332 -9.755 281 H LEU 117 H LEU 117 136.379 4.208 -5.563 282 HA LEU 117 HA LEU 117 134.653 5.477 -3.856 283 1HB LEU 117 2HB LEU 117 135.993 3.367 -3.457 284 2HB LEU 117 1HB LEU 117 137.329 4.401 -2.990 285 HG LEU 117 HG LEU 117 135.893 5.355 -1.186 286 1HD1 LEU 117 1HD1 LEU 117 133.959 3.586 -0.670 287 2HD1 LEU 117 2HD1 LEU 117 133.948 3.513 -2.433 288 3HD1 LEU 117 3HD1 LEU 117 133.692 5.053 -1.613 289 1HD2 LEU 117 1HD2 LEU 117 137.306 3.832 -0.267 290 2HD2 LEU 117 2HD2 LEU 117 136.775 2.530 -1.332 291 3HD2 LEU 117 3HD2 LEU 117 135.782 3.002 0.047 292 H LYS 118 H LYS 118 137.814 6.538 -4.865 293 HA LYS 118 HA LYS 118 138.110 8.519 -2.812 294 1HB LYS 118 2HB LYS 118 140.065 9.240 -4.033 295 2HB LYS 118 1HB LYS 118 140.041 7.484 -3.958 296 1HG LYS 118 2HG LYS 118 140.193 7.373 -6.160 297 2HG LYS 118 1HG LYS 118 138.691 8.284 -6.326 298 1HD LYS 118 2HD LYS 118 140.120 10.369 -5.959 299 2HD LYS 118 1HD LYS 118 141.513 9.320 -6.236 300 1HE LYS 118 2HE LYS 118 140.405 8.643 -8.406 301 2HE LYS 118 1HE LYS 118 139.267 9.961 -8.134 302 1HZ LYS 118 1HZ LYS 118 141.166 10.554 -9.577 303 2HZ LYS 118 2HZ LYS 118 142.211 10.309 -8.270 304 3HZ LYS 118 3HZ LYS 118 141.047 11.532 -8.201 305 H ILE 119 H ILE 119 136.453 8.379 -5.817 306 HA ILE 119 HA ILE 119 136.509 11.122 -6.505 307 HB ILE 119 HB ILE 119 134.314 9.157 -7.154 308 1HG1 ILE 119 2HG1 ILE 119 136.914 9.697 -8.610 309 2HG1 ILE 119 1HG1 ILE 119 136.482 8.209 -7.775 310 1HG2 ILE 119 1HG2 ILE 119 135.260 11.604 -8.639 311 2HG2 ILE 119 2HG2 ILE 119 133.835 11.537 -7.603 312 3HG2 ILE 119 3HG2 ILE 119 133.903 10.564 -9.072 313 1HD1 ILE 119 1HD1 ILE 119 135.026 9.317 -10.161 314 2HD1 ILE 119 2HD1 ILE 119 134.743 7.764 -9.373 315 3HD1 ILE 119 3HD1 ILE 119 136.261 8.060 -10.222 316 H MET 120 H MET 120 133.887 9.201 -5.032 317 HA MET 120 HA MET 120 132.174 11.306 -4.452 318 1HB MET 120 2HB MET 120 131.284 9.772 -2.639 319 2HB MET 120 1HB MET 120 131.324 9.107 -4.266 320 1HG MET 120 2HG MET 120 132.694 7.465 -3.668 321 2HG MET 120 1HG MET 120 133.766 8.565 -2.806 322 1HE MET 120 1HE MET 120 133.921 6.593 -0.168 323 2HE MET 120 2HE MET 120 133.471 8.149 0.532 324 3HE MET 120 3HE MET 120 134.427 8.091 -0.949 325 H LEU 121 H LEU 121 135.021 10.214 -2.755 326 HA LEU 121 HA LEU 121 134.544 11.522 -0.297 327 1HB LEU 121 2HB LEU 121 136.853 10.273 -1.653 328 2HB LEU 121 1HB LEU 121 137.246 11.470 -0.431 329 HG LEU 121 HG LEU 121 135.279 9.379 0.324 330 1HD1 LEU 121 1HD1 LEU 121 136.819 7.957 -0.771 331 2HD1 LEU 121 2HD1 LEU 121 137.208 7.878 0.947 332 3HD1 LEU 121 3HD1 LEU 121 138.203 8.848 -0.141 333 1HD2 LEU 121 1HD2 LEU 121 137.625 10.647 1.735 334 2HD2 LEU 121 2HD2 LEU 121 136.434 9.568 2.461 335 3HD2 LEU 121 3HD2 LEU 121 135.942 11.155 1.872 336 H GLN 122 H GLN 122 135.858 12.594 -3.353 337 HA GLN 122 HA GLN 122 136.967 15.034 -2.380 338 1HB GLN 122 2HB GLN 122 136.221 14.076 -5.140 339 2HB GLN 122 1HB GLN 122 136.909 15.666 -4.846 340 1HG GLN 122 2HG GLN 122 138.288 13.202 -3.865 341 2HG GLN 122 1HG GLN 122 138.461 13.732 -5.538 342 1HE2 GLN 122 1HE2 GLN 122 140.013 13.750 -2.758 343 2HE2 GLN 122 2HE2 GLN 122 140.844 15.261 -2.843 344 H ALA 123 H ALA 123 133.812 14.031 -3.462 345 HA ALA 123 HA ALA 123 132.759 16.641 -3.901 346 1HB ALA 123 1HB ALA 123 130.852 15.595 -4.515 347 2HB ALA 123 2HB ALA 123 130.905 14.465 -3.162 348 3HB ALA 123 3HB ALA 123 131.917 14.191 -4.580 349 H THR 124 H THR 124 133.470 14.874 -1.072 350 HA THR 124 HA THR 124 131.438 15.828 0.643 351 HB THR 124 HB THR 124 132.857 15.091 2.460 352 HG1 THR 124 HG1 THR 124 134.921 15.276 2.287 353 1HG2 THR 124 1HG2 THR 124 133.519 13.128 0.314 354 2HG2 THR 124 2HG2 THR 124 131.848 13.370 0.824 355 3HG2 THR 124 3HG2 THR 124 133.060 12.846 1.994 356 H GLY 125 H GLY 125 131.995 17.238 2.598 357 1HA GLY 125 2HA GLY 125 133.030 19.758 1.560 358 2HA GLY 125 1HA GLY 125 132.125 19.539 3.049 359 H GLU 126 H GLU 126 134.342 17.168 3.186 360 HA GLU 126 HA GLU 126 136.206 18.853 4.709 361 1HB GLU 126 2HB GLU 126 135.941 15.855 4.901 362 2HB GLU 126 1HB GLU 126 136.714 16.948 6.042 363 1HG GLU 126 2HG GLU 126 134.126 17.880 5.924 364 2HG GLU 126 1HG GLU 126 133.938 16.130 5.829 365 H THR 127 H THR 127 138.443 17.517 4.886 366 HA THR 127 HA THR 127 139.275 16.967 2.111 367 HB THR 127 HB THR 127 141.445 17.957 2.635 368 HG1 THR 127 HG1 THR 127 140.304 18.471 5.179 369 1HG2 THR 127 1HG2 THR 127 140.062 19.602 1.752 370 2HG2 THR 127 2HG2 THR 127 140.694 20.325 3.231 371 3HG2 THR 127 3HG2 THR 127 139.057 19.669 3.200 372 H ILE 128 H ILE 128 139.864 14.932 1.825 373 HA ILE 128 HA ILE 128 141.052 13.473 4.096 374 HB ILE 128 HB ILE 128 139.643 12.175 1.773 375 1HG1 ILE 128 2HG1 ILE 128 138.003 13.593 2.859 376 2HG1 ILE 128 1HG1 ILE 128 137.692 11.916 3.297 377 1HG2 ILE 128 1HG2 ILE 128 140.819 11.275 4.345 378 2HG2 ILE 128 2HG2 ILE 128 140.830 10.502 2.761 379 3HG2 ILE 128 3HG2 ILE 128 139.378 10.447 3.760 380 1HD1 ILE 128 1HD1 ILE 128 138.465 12.222 5.473 381 2HD1 ILE 128 2HD1 ILE 128 137.539 13.684 5.126 382 3HD1 ILE 128 3HD1 ILE 128 139.302 13.720 5.062 383 H THR 129 H THR 129 142.853 12.191 3.737 384 HA THR 129 HA THR 129 144.460 12.949 1.455 385 HB THR 129 HB THR 129 145.363 10.889 3.414 386 HG1 THR 129 HG1 THR 129 144.997 13.634 4.005 387 1HG2 THR 129 1HG2 THR 129 146.592 12.962 1.728 388 2HG2 THR 129 2HG2 THR 129 147.188 11.369 2.196 389 3HG2 THR 129 3HG2 THR 129 147.313 12.723 3.319 390 H GLU 130 H GLU 130 145.844 11.085 0.484 391 HA GLU 130 HA GLU 130 143.978 9.263 -0.748 392 1HB GLU 130 2HB GLU 130 146.759 10.148 -1.240 393 2HB GLU 130 1HB GLU 130 146.364 8.519 -1.770 394 1HG GLU 130 2HG GLU 130 144.476 10.673 -2.506 395 2HG GLU 130 1HG GLU 130 146.042 10.653 -3.315 396 H ASP 131 H ASP 131 146.549 9.117 1.616 397 HA ASP 131 HA ASP 131 146.903 6.312 1.623 398 1HB ASP 131 2HB ASP 131 147.331 8.167 3.968 399 2HB ASP 131 1HB ASP 131 148.120 6.622 3.664 400 H ASP 132 H ASP 132 144.970 8.453 3.710 401 HA ASP 132 HA ASP 132 143.908 6.581 5.433 402 1HB ASP 132 2HB ASP 132 142.779 9.140 4.320 403 2HB ASP 132 1HB ASP 132 141.881 8.171 5.485 404 H ILE 133 H ILE 133 142.877 7.398 2.162 405 HA ILE 133 HA ILE 133 140.551 5.706 2.270 406 HB ILE 133 HB ILE 133 141.862 6.865 -0.188 407 1HG1 ILE 133 2HG1 ILE 133 141.409 8.688 1.327 408 2HG1 ILE 133 1HG1 ILE 133 140.185 8.701 0.061 409 1HG2 ILE 133 1HG2 ILE 133 140.331 5.387 -1.019 410 2HG2 ILE 133 2HG2 ILE 133 139.300 6.805 -0.818 411 3HG2 ILE 133 3HG2 ILE 133 139.276 5.518 0.388 412 1HD1 ILE 133 1HD1 ILE 133 138.873 7.250 1.846 413 2HD1 ILE 133 2HD1 ILE 133 138.853 9.013 1.864 414 3HD1 ILE 133 3HD1 ILE 133 139.927 8.134 2.951 415 H GLU 134 H GLU 134 143.815 5.485 0.920 416 HA GLU 134 HA GLU 134 143.568 3.172 -0.576 417 1HB GLU 134 2HB GLU 134 145.796 4.542 0.817 418 2HB GLU 134 1HB GLU 134 146.071 2.867 0.362 419 1HG GLU 134 2HG GLU 134 145.398 3.478 -1.966 420 2HG GLU 134 1HG GLU 134 145.377 5.164 -1.450 421 H GLU 135 H GLU 135 143.544 3.550 2.863 422 HA GLU 135 HA GLU 135 144.001 0.708 3.324 423 1HB GLU 135 2HB GLU 135 143.918 1.288 5.705 424 2HB GLU 135 1HB GLU 135 145.072 2.292 4.840 425 1HG GLU 135 2HG GLU 135 143.760 4.184 5.013 426 2HG GLU 135 1HG GLU 135 142.282 3.259 5.280 427 H LEU 136 H LEU 136 141.514 2.024 2.049 428 HA LEU 136 HA LEU 136 139.484 1.005 3.903 429 1HB LEU 136 2HB LEU 136 139.556 3.320 2.447 430 2HB LEU 136 1HB LEU 136 138.582 2.285 1.420 431 HG LEU 136 HG LEU 136 137.353 1.841 3.768 432 1HD1 LEU 136 1HD1 LEU 136 137.773 4.747 4.062 433 2HD1 LEU 136 2HD1 LEU 136 139.089 3.703 4.597 434 3HD1 LEU 136 3HD1 LEU 136 137.476 3.511 5.284 435 1HD2 LEU 136 1HD2 LEU 136 135.835 3.803 3.056 436 2HD2 LEU 136 2HD2 LEU 136 136.052 2.451 1.945 437 3HD2 LEU 136 3HD2 LEU 136 136.938 3.953 1.688 438 H MET 137 H MET 137 140.905 0.492 0.762 439 HA MET 137 HA MET 137 138.907 -1.375 -0.123 440 1HB MET 137 2HB MET 137 141.058 0.034 -1.301 441 2HB MET 137 1HB MET 137 141.397 -1.677 -1.524 442 1HG MET 137 2HG MET 137 140.202 -1.037 -3.424 443 2HG MET 137 1HG MET 137 139.030 -1.878 -2.411 444 1HE MET 137 1HE MET 137 137.176 -0.099 -4.409 445 2HE MET 137 2HE MET 137 136.226 0.258 -2.966 446 3HE MET 137 3HE MET 137 137.046 -1.294 -3.121 447 H LYS 138 H LYS 138 142.184 -1.589 1.202 448 HA LYS 138 HA LYS 138 142.526 -4.353 0.971 449 1HB LYS 138 2HB LYS 138 144.167 -2.438 1.717 450 2HB LYS 138 1HB LYS 138 143.629 -2.881 3.330 451 1HG LYS 138 2HG LYS 138 144.686 -4.921 1.404 452 2HG LYS 138 1HG LYS 138 145.750 -3.975 2.446 453 1HD LYS 138 2HD LYS 138 145.330 -5.335 4.155 454 2HD LYS 138 1HD LYS 138 143.601 -5.015 4.016 455 1HE LYS 138 2HE LYS 138 143.780 -6.719 2.022 456 2HE LYS 138 1HE LYS 138 145.221 -7.248 2.889 457 1HZ LYS 138 1HZ LYS 138 143.581 -7.252 4.901 458 2HZ LYS 138 2HZ LYS 138 143.630 -8.563 3.834 459 3HZ LYS 138 3HZ LYS 138 142.405 -7.407 3.693 460 H ASP 139 H ASP 139 141.043 -2.421 3.534 461 HA ASP 139 HA ASP 139 140.434 -4.808 5.080 462 1HB ASP 139 2HB ASP 139 141.001 -2.233 5.816 463 2HB ASP 139 1HB ASP 139 139.246 -2.262 5.947 464 H GLY 140 H GLY 140 139.131 -3.703 2.387 465 1HA GLY 140 2HA GLY 140 136.382 -4.327 3.263 466 2HA GLY 140 1HA GLY 140 136.716 -3.065 2.088 467 H ASP 141 H ASP 141 138.913 -5.450 1.495 468 HA ASP 141 HA ASP 141 137.134 -6.753 -0.458 469 1HB ASP 141 2HB ASP 141 139.724 -5.437 -0.779 470 2HB ASP 141 1HB ASP 141 139.701 -7.066 -1.449 471 H LYS 142 H LYS 142 136.687 -8.713 0.322 472 HA LYS 142 HA LYS 142 138.520 -10.180 1.970 473 1HB LYS 142 2HB LYS 142 136.028 -11.251 0.647 474 2HB LYS 142 1HB LYS 142 136.823 -11.859 2.092 475 1HG LYS 142 2HG LYS 142 135.289 -9.290 1.790 476 2HG LYS 142 1HG LYS 142 134.860 -10.697 2.764 477 1HD LYS 142 2HD LYS 142 137.390 -9.997 3.665 478 2HD LYS 142 1HD LYS 142 136.582 -8.449 3.405 479 1HE LYS 142 2HE LYS 142 134.714 -9.186 4.793 480 2HE LYS 142 1HE LYS 142 135.501 -10.746 5.037 481 1HZ LYS 142 1HZ LYS 142 137.028 -9.858 6.451 482 2HZ LYS 142 2HZ LYS 142 135.734 -8.816 6.773 483 3HZ LYS 142 3HZ LYS 142 136.983 -8.321 5.745 484 H ASN 143 H ASN 143 137.459 -10.323 -1.388 485 HA ASN 143 HA ASN 143 139.099 -12.653 -1.927 486 1HB ASN 143 2HB ASN 143 138.276 -12.307 -4.290 487 2HB ASN 143 1HB ASN 143 137.016 -12.594 -3.093 488 1HD2 ASN 143 1HD2 ASN 143 135.960 -11.589 -5.144 489 2HD2 ASN 143 2HD2 ASN 143 135.700 -9.884 -5.058 490 H ASN 144 H ASN 144 139.727 -9.441 -1.571 491 HA ASN 144 HA ASN 144 141.293 -7.970 -2.339 492 1HB ASN 144 2HB ASN 144 143.558 -8.863 -2.339 493 2HB ASN 144 1HB ASN 144 142.631 -9.568 -1.018 494 1HD2 ASN 144 1HD2 ASN 144 142.867 -11.659 -0.766 495 2HD2 ASN 144 2HD2 ASN 144 143.300 -12.795 -1.993 496 H ASP 145 H ASP 145 139.585 -8.865 -4.427 497 HA ASP 145 HA ASP 145 141.190 -9.475 -6.732 498 1HB ASP 145 2HB ASP 145 139.094 -9.224 -7.988 499 2HB ASP 145 1HB ASP 145 138.870 -10.257 -6.580 500 H GLY 146 H GLY 146 139.726 -6.611 -5.311 501 1HA GLY 146 2HA GLY 146 141.223 -4.596 -5.795 502 2HA GLY 146 1HA GLY 146 140.902 -4.984 -7.477 503 H ARG 147 H ARG 147 138.096 -5.770 -6.102 504 HA ARG 147 HA ARG 147 137.036 -3.050 -5.913 505 1HB ARG 147 2HB ARG 147 135.651 -5.104 -7.626 506 2HB ARG 147 1HB ARG 147 135.339 -3.377 -7.527 507 1HG ARG 147 2HG ARG 147 137.791 -3.184 -8.416 508 2HG ARG 147 1HG ARG 147 137.500 -4.834 -8.968 509 1HD ARG 147 2HD ARG 147 135.211 -3.477 -9.720 510 2HD ARG 147 1HD ARG 147 136.501 -2.313 -10.016 511 HE ARG 147 HE ARG 147 137.054 -4.939 -11.044 512 1HH1 ARG 147 1HH1 ARG 147 135.539 -1.867 -11.707 513 2HH1 ARG 147 2HH1 ARG 147 135.635 -2.050 -13.426 514 1HH2 ARG 147 1HH2 ARG 147 137.181 -5.181 -13.305 515 2HH2 ARG 147 2HH2 ARG 147 136.566 -3.931 -14.334 516 H ILE 148 H ILE 148 135.030 -2.896 -4.816 517 HA ILE 148 HA ILE 148 134.445 -5.250 -3.148 518 HB ILE 148 HB ILE 148 133.784 -2.364 -2.549 519 1HG1 ILE 148 2HG1 ILE 148 135.916 -3.979 -1.172 520 2HG1 ILE 148 1HG1 ILE 148 136.278 -3.075 -2.638 521 1HG2 ILE 148 1HG2 ILE 148 132.328 -4.069 -1.498 522 2HG2 ILE 148 2HG2 ILE 148 133.261 -3.133 -0.330 523 3HG2 ILE 148 3HG2 ILE 148 133.755 -4.775 -0.742 524 1HD1 ILE 148 1HD1 ILE 148 135.216 -1.928 -0.067 525 2HD1 ILE 148 2HD1 ILE 148 135.564 -1.016 -1.536 526 3HD1 ILE 148 3HD1 ILE 148 136.872 -1.811 -0.662 527 H ASP 149 H ASP 149 132.479 -6.138 -3.148 528 HA ASP 149 HA ASP 149 130.436 -4.914 -4.868 529 1HB ASP 149 2HB ASP 149 129.460 -7.162 -5.028 530 2HB ASP 149 1HB ASP 149 131.148 -7.164 -5.530 531 H TYR 150 H TYR 150 128.140 -5.952 -4.087 532 HA TYR 150 HA TYR 150 127.459 -4.497 -1.779 533 1HB TYR 150 2HB TYR 150 125.837 -4.997 -3.544 534 2HB TYR 150 1HB TYR 150 125.936 -6.712 -3.169 535 HD1 TYR 150 HD1 TYR 150 125.460 -3.619 -1.107 536 HD2 TYR 150 HD2 TYR 150 124.001 -7.470 -2.182 537 HE1 TYR 150 HE1 TYR 150 123.613 -3.364 0.499 538 HE2 TYR 150 HE2 TYR 150 122.152 -7.223 -0.578 539 HH TYR 150 HH TYR 150 120.963 -4.803 0.501 540 H ASP 151 H ASP 151 128.016 -7.951 -2.285 541 HA ASP 151 HA ASP 151 127.279 -8.869 0.244 542 1HB ASP 151 2HB ASP 151 129.500 -9.958 -1.503 543 2HB ASP 151 1HB ASP 151 128.655 -10.828 -0.226 544 H GLU 152 H GLU 152 130.510 -7.963 -0.938 545 HA GLU 152 HA GLU 152 131.827 -8.273 1.525 546 1HB GLU 152 2HB GLU 152 132.582 -6.444 -0.759 547 2HB GLU 152 1HB GLU 152 133.652 -7.014 0.514 548 1HG GLU 152 2HG GLU 152 133.145 -9.356 -0.309 549 2HG GLU 152 1HG GLU 152 132.414 -8.590 -1.719 550 H PHE 153 H PHE 153 130.577 -5.334 -0.064 551 HA PHE 153 HA PHE 153 131.326 -3.548 1.968 552 1HB PHE 153 2HB PHE 153 129.954 -3.392 -0.491 553 2HB PHE 153 1HB PHE 153 128.890 -2.675 0.712 554 HD1 PHE 153 HD1 PHE 153 130.286 -1.123 2.454 555 HD2 PHE 153 HD2 PHE 153 131.324 -1.933 -1.593 556 HE1 PHE 153 HE1 PHE 153 131.599 0.957 2.380 557 HE2 PHE 153 HE2 PHE 153 132.641 0.145 -1.673 558 HZ PHE 153 HZ PHE 153 132.778 1.592 0.314 559 H LEU 154 H LEU 154 128.675 -5.770 1.754 560 HA LEU 154 HA LEU 154 126.886 -4.596 3.553 561 1HB LEU 154 2HB LEU 154 127.021 -6.964 2.110 562 2HB LEU 154 1HB LEU 154 127.026 -7.501 3.777 563 HG LEU 154 HG LEU 154 124.898 -6.569 4.203 564 1HD1 LEU 154 1HD1 LEU 154 124.960 -4.422 3.283 565 2HD1 LEU 154 2HD1 LEU 154 123.719 -5.258 2.352 566 3HD1 LEU 154 3HD1 LEU 154 125.328 -5.026 1.667 567 1HD2 LEU 154 1HD2 LEU 154 125.116 -7.940 1.553 568 2HD2 LEU 154 2HD2 LEU 154 123.545 -7.420 2.167 569 3HD2 LEU 154 3HD2 LEU 154 124.520 -8.564 3.091 570 H GLU 155 H GLU 155 129.791 -6.480 4.084 571 HA GLU 155 HA GLU 155 129.334 -6.513 6.967 572 1HB GLU 155 2HB GLU 155 131.345 -7.831 5.160 573 2HB GLU 155 1HB GLU 155 131.594 -7.768 6.899 574 1HG GLU 155 2HG GLU 155 128.941 -8.708 6.162 575 2HG GLU 155 1HG GLU 155 130.239 -9.718 5.528 576 H PHE 156 H PHE 156 131.387 -5.030 4.543 577 HA PHE 156 HA PHE 156 133.381 -3.949 6.140 578 1HB PHE 156 2HB PHE 156 133.155 -3.896 3.587 579 2HB PHE 156 1HB PHE 156 132.162 -2.463 3.820 580 HD1 PHE 156 HD1 PHE 156 135.237 -3.520 5.622 581 HD2 PHE 156 HD2 PHE 156 133.429 -0.718 2.978 582 HE1 PHE 156 HE1 PHE 156 137.267 -2.133 5.711 583 HE2 PHE 156 HE2 PHE 156 135.457 0.673 3.061 584 HZ PHE 156 HZ PHE 156 137.379 -0.034 4.428 585 H MET 157 H MET 157 130.049 -3.118 5.934 586 HA MET 157 HA MET 157 130.275 -0.464 6.977 587 1HB MET 157 2HB MET 157 128.131 -2.264 6.151 588 2HB MET 157 1HB MET 157 127.712 -1.350 7.594 589 1HG MET 157 2HG MET 157 128.605 -0.212 4.957 590 2HG MET 157 1HG MET 157 126.968 -0.192 5.612 591 1HE MET 157 1HE MET 157 129.401 3.296 5.693 592 2HE MET 157 2HE MET 157 128.793 2.168 4.481 593 3HE MET 157 3HE MET 157 130.289 1.812 5.346 594 H LYS 158 H LYS 158 128.663 -3.270 8.447 595 HA LYS 158 HA LYS 158 128.887 -2.283 11.079 596 1HB LYS 158 2HB LYS 158 128.335 -4.689 11.711 597 2HB LYS 158 1HB LYS 158 127.172 -3.852 10.694 598 1HG LYS 158 2HG LYS 158 129.043 -5.157 9.004 599 2HG LYS 158 1HG LYS 158 128.489 -6.311 10.218 600 1HD LYS 158 2HD LYS 158 126.517 -4.584 8.774 601 2HD LYS 158 1HD LYS 158 127.156 -6.036 8.000 602 1HE LYS 158 2HE LYS 158 126.202 -7.448 9.579 603 2HE LYS 158 1HE LYS 158 126.045 -6.164 10.775 604 1HZ LYS 158 1HZ LYS 158 123.955 -6.972 9.560 605 2HZ LYS 158 2HZ LYS 158 124.520 -6.060 8.254 606 3HZ LYS 158 3HZ LYS 158 124.184 -5.304 9.729 607 H GLY 159 H GLY 159 131.189 -1.693 11.015 608 1HA GLY 159 2HA GLY 159 133.011 -2.405 12.508 609 2HA GLY 159 1HA GLY 159 132.886 -3.994 11.767 610 H VAL 160 H VAL 160 133.867 -0.658 11.252 611 HA VAL 160 HA VAL 160 135.352 -1.491 8.854 612 HB VAL 160 HB VAL 160 134.869 1.351 9.735 613 1HG1 VAL 160 1HG1 VAL 160 135.740 1.996 7.734 614 2HG1 VAL 160 2HG1 VAL 160 135.219 0.528 6.907 615 3HG1 VAL 160 3HG1 VAL 160 136.638 0.495 7.954 616 1HG2 VAL 160 1HG2 VAL 160 132.895 -0.461 8.890 617 2HG2 VAL 160 2HG2 VAL 160 133.239 0.573 7.502 618 3HG2 VAL 160 3HG2 VAL 160 132.758 1.290 9.039 619 H GLU 161 H GLU 161 136.438 -2.309 11.240 620 HA GLU 161 HA GLU 161 138.434 -0.394 12.091 621 1HB GLU 161 2HB GLU 161 139.141 -2.115 13.658 622 2HB GLU 161 1HB GLU 161 137.394 -1.922 13.718 623 1HG GLU 161 2HG GLU 161 137.749 -3.899 11.833 624 2HG GLU 161 1HG GLU 161 138.993 -4.245 13.035 Start of MODEL 11 1 1H MET 81 1HT MET 81 94.409 -12.992 12.785 2 2H MET 81 2HT MET 81 94.400 -14.703 12.658 3 3H MET 81 3HT MET 81 92.929 -13.826 12.558 4 HA MET 81 HA MET 81 95.139 -13.444 10.668 5 1HB MET 81 2HB MET 81 93.284 -15.679 10.980 6 2HB MET 81 1HB MET 81 93.169 -14.928 9.394 7 1HG MET 81 2HG MET 81 95.762 -15.830 10.615 8 2HG MET 81 1HG MET 81 94.767 -16.846 9.574 9 1HE MET 81 1HE MET 81 98.071 -15.866 8.396 10 2HE MET 81 2HE MET 81 97.205 -16.457 6.979 11 3HE MET 81 3HE MET 81 96.923 -17.195 8.555 12 H VAL 82 H VAL 82 94.765 -11.615 9.612 13 HA VAL 82 HA VAL 82 93.717 -9.870 8.595 14 HB VAL 82 HB VAL 82 91.248 -11.602 8.499 15 1HG1 VAL 82 1HG1 VAL 82 90.527 -9.595 7.712 16 2HG1 VAL 82 2HG1 VAL 82 91.207 -10.241 6.218 17 3HG1 VAL 82 3HG1 VAL 82 92.134 -9.095 7.186 18 1HG2 VAL 82 1HG2 VAL 82 92.831 -13.007 7.539 19 2HG2 VAL 82 2HG2 VAL 82 93.740 -11.667 6.838 20 3HG2 VAL 82 3HG2 VAL 82 92.185 -12.133 6.150 21 H ARG 83 H ARG 83 93.699 -10.054 11.462 22 HA ARG 83 HA ARG 83 91.102 -9.072 12.308 23 1HB ARG 83 2HB ARG 83 92.825 -10.586 13.624 24 2HB ARG 83 1HB ARG 83 93.495 -9.030 14.090 25 1HG ARG 83 2HG ARG 83 91.182 -8.395 14.864 26 2HG ARG 83 1HG ARG 83 90.735 -10.088 14.630 27 1HD ARG 83 2HD ARG 83 93.100 -10.179 16.092 28 2HD ARG 83 1HD ARG 83 92.197 -8.838 16.795 29 HE ARG 83 HE ARG 83 90.534 -11.108 16.453 30 1HH1 ARG 83 1HH1 ARG 83 93.069 -9.831 18.482 31 2HH1 ARG 83 2HH1 ARG 83 92.586 -10.740 19.874 32 1HH2 ARG 83 1HH2 ARG 83 89.897 -12.306 18.283 33 2HH2 ARG 83 2HH2 ARG 83 90.784 -12.147 19.761 34 H CYS 84 H CYS 84 94.418 -7.842 12.777 35 HA CYS 84 HA CYS 84 93.336 -5.115 12.511 36 1HB CYS 84 2HB CYS 84 95.364 -6.322 14.291 37 2HB CYS 84 1HB CYS 84 95.769 -4.734 13.651 38 HG CYS 84 HG CYS 84 94.323 -3.795 15.371 39 H MET 85 H MET 85 96.192 -7.104 11.781 40 HA MET 85 HA MET 85 96.631 -5.433 9.399 41 1HB MET 85 2HB MET 85 98.549 -6.191 11.546 42 2HB MET 85 1HB MET 85 99.149 -6.169 9.893 43 1HG MET 85 2HG MET 85 98.770 -3.887 9.655 44 2HG MET 85 1HG MET 85 97.663 -3.833 11.026 45 1HE MET 85 1HE MET 85 100.966 -3.456 9.608 46 2HE MET 85 2HE MET 85 102.031 -2.989 10.933 47 3HE MET 85 3HE MET 85 100.703 -1.932 10.455 48 H LYS 86 H LYS 86 97.683 -6.501 7.628 49 HA LYS 86 HA LYS 86 97.035 -9.350 7.544 50 1HB LYS 86 2HB LYS 86 97.709 -7.373 5.360 51 2HB LYS 86 1HB LYS 86 97.397 -9.081 5.078 52 1HG LYS 86 2HG LYS 86 95.149 -8.889 5.600 53 2HG LYS 86 1HG LYS 86 95.383 -7.388 6.497 54 1HD LYS 86 2HD LYS 86 96.183 -6.515 4.135 55 2HD LYS 86 1HD LYS 86 95.165 -7.839 3.563 56 1HE LYS 86 2HE LYS 86 93.258 -6.937 4.733 57 2HE LYS 86 1HE LYS 86 94.258 -5.682 5.467 58 1HZ LYS 86 1HZ LYS 86 94.646 -4.743 3.289 59 2HZ LYS 86 2HZ LYS 86 92.982 -4.856 3.574 60 3HZ LYS 86 3HZ LYS 86 93.742 -5.972 2.556 61 H ASP 87 H ASP 87 99.621 -7.453 5.998 62 HA ASP 87 HA ASP 87 101.519 -9.552 6.826 63 1HB ASP 87 2HB ASP 87 102.842 -8.869 4.798 64 2HB ASP 87 1HB ASP 87 101.288 -9.618 4.443 65 H ASP 88 H ASP 88 103.595 -8.929 7.491 66 HA ASP 88 HA ASP 88 103.724 -6.184 8.506 67 1HB ASP 88 2HB ASP 88 104.160 -8.495 9.821 68 2HB ASP 88 1HB ASP 88 105.800 -8.162 9.269 69 H SER 89 H SER 89 104.840 -4.745 7.387 70 HA SER 89 HA SER 89 106.590 -5.461 5.260 71 1HB SER 89 2HB SER 89 107.139 -2.873 5.515 72 2HB SER 89 1HB SER 89 105.607 -3.421 4.834 73 HG SER 89 HG SER 89 106.141 -2.442 7.427 74 H LYS 90 H LYS 90 108.770 -4.000 5.261 75 HA LYS 90 HA LYS 90 110.228 -4.690 7.727 76 1HB LYS 90 2HB LYS 90 111.432 -4.821 4.966 77 2HB LYS 90 1HB LYS 90 112.104 -5.438 6.468 78 1HG LYS 90 2HG LYS 90 109.953 -6.928 6.468 79 2HG LYS 90 1HG LYS 90 109.963 -6.575 4.741 80 1HD LYS 90 2HD LYS 90 111.333 -8.350 4.604 81 2HD LYS 90 1HD LYS 90 112.570 -7.229 5.176 82 1HE LYS 90 2HE LYS 90 110.877 -9.002 6.934 83 2HE LYS 90 1HE LYS 90 112.537 -9.343 6.445 84 1HZ LYS 90 1HZ LYS 90 111.685 -6.962 8.003 85 2HZ LYS 90 2HZ LYS 90 113.273 -7.382 7.601 86 3HZ LYS 90 3HZ LYS 90 112.387 -8.351 8.666 87 H GLY 91 H GLY 91 111.002 -2.932 8.681 88 1HA GLY 91 2HA GLY 91 111.010 -0.373 7.508 89 2HA GLY 91 1HA GLY 91 111.807 -0.810 9.012 90 H LYS 92 H LYS 92 113.766 0.109 8.838 91 HA LYS 92 HA LYS 92 115.236 -0.036 6.336 92 1HB LYS 92 2HB LYS 92 116.172 1.158 8.943 93 2HB LYS 92 1HB LYS 92 116.794 1.481 7.330 94 1HG LYS 92 2HG LYS 92 115.489 3.286 7.390 95 2HG LYS 92 1HG LYS 92 114.163 2.166 7.073 96 1HD LYS 92 2HD LYS 92 113.365 3.265 8.926 97 2HD LYS 92 1HD LYS 92 114.183 1.898 9.683 98 1HE LYS 92 2HE LYS 92 116.102 3.244 10.181 99 2HE LYS 92 1HE LYS 92 115.456 4.594 9.249 100 1HZ LYS 92 1HZ LYS 92 114.798 5.258 11.285 101 2HZ LYS 92 2HZ LYS 92 114.775 3.693 11.929 102 3HZ LYS 92 3HZ LYS 92 113.485 4.234 10.979 103 H THR 93 H THR 93 115.909 -2.114 6.043 104 HA THR 93 HA THR 93 117.591 -3.284 8.161 105 HB THR 93 HB THR 93 115.583 -4.601 7.619 106 HG1 THR 93 HG1 THR 93 116.657 -6.536 7.348 107 1HG2 THR 93 1HG2 THR 93 116.117 -3.931 4.970 108 2HG2 THR 93 2HG2 THR 93 114.862 -5.014 5.574 109 3HG2 THR 93 3HG2 THR 93 116.432 -5.661 5.093 110 H GLU 94 H GLU 94 118.727 -5.294 6.467 111 HA GLU 94 HA GLU 94 120.932 -3.843 5.414 112 1HB GLU 94 2HB GLU 94 120.183 -6.654 5.792 113 2HB GLU 94 1HB GLU 94 121.200 -6.372 4.385 114 1HG GLU 94 2HG GLU 94 122.913 -6.512 5.789 115 2HG GLU 94 1HG GLU 94 122.449 -4.900 6.328 116 H GLU 95 H GLU 95 117.914 -4.397 4.128 117 HA GLU 95 HA GLU 95 118.659 -4.824 1.386 118 1HB GLU 95 2HB GLU 95 116.252 -4.867 2.908 119 2HB GLU 95 1HB GLU 95 116.030 -3.720 1.594 120 1HG GLU 95 2HG GLU 95 115.573 -5.427 0.269 121 2HG GLU 95 1HG GLU 95 117.253 -5.936 0.427 122 H GLU 96 H GLU 96 118.158 -2.089 3.462 123 HA GLU 96 HA GLU 96 117.828 -0.158 1.374 124 1HB GLU 96 2HB GLU 96 118.747 0.374 4.197 125 2HB GLU 96 1HB GLU 96 117.955 1.493 3.099 126 1HG GLU 96 2HG GLU 96 116.609 -1.010 4.046 127 2HG GLU 96 1HG GLU 96 116.566 0.486 4.978 128 H LEU 97 H LEU 97 120.520 -1.689 2.912 129 HA LEU 97 HA LEU 97 122.538 0.185 2.543 130 1HB LEU 97 2HB LEU 97 122.504 -2.810 2.603 131 2HB LEU 97 1HB LEU 97 123.994 -1.953 2.256 132 HG LEU 97 HG LEU 97 122.409 -1.305 4.719 133 1HD1 LEU 97 1HD1 LEU 97 124.647 -3.208 4.971 134 2HD1 LEU 97 2HD1 LEU 97 123.147 -3.849 4.300 135 3HD1 LEU 97 3HD1 LEU 97 123.147 -3.084 5.890 136 1HD2 LEU 97 1HD2 LEU 97 125.360 -1.311 4.631 137 2HD2 LEU 97 2HD2 LEU 97 124.245 -0.162 5.375 138 3HD2 LEU 97 3HD2 LEU 97 124.551 -0.097 3.639 139 H SER 98 H SER 98 120.815 -1.672 0.201 140 HA SER 98 HA SER 98 122.761 -1.670 -1.859 141 1HB SER 98 2HB SER 98 120.814 -3.182 -1.874 142 2HB SER 98 1HB SER 98 119.742 -1.796 -2.076 143 HG SER 98 HG SER 98 121.617 -2.865 -3.892 144 H ASP 99 H ASP 99 120.050 0.487 -1.092 145 HA ASP 99 HA ASP 99 120.298 2.204 -3.287 146 1HB ASP 99 2HB ASP 99 118.448 2.062 -1.466 147 2HB ASP 99 1HB ASP 99 119.462 3.193 -0.575 148 H LEU 100 H LEU 100 121.813 2.306 -0.090 149 HA LEU 100 HA LEU 100 123.203 4.753 -0.566 150 1HB LEU 100 2HB LEU 100 123.320 2.618 1.527 151 2HB LEU 100 1HB LEU 100 124.598 3.817 1.446 152 HG LEU 100 HG LEU 100 121.823 4.856 1.471 153 1HD1 LEU 100 1HD1 LEU 100 122.941 4.203 4.128 154 2HD1 LEU 100 2HD1 LEU 100 122.232 2.872 3.213 155 3HD1 LEU 100 3HD1 LEU 100 121.265 4.298 3.591 156 1HD2 LEU 100 1HD2 LEU 100 123.335 6.570 1.508 157 2HD2 LEU 100 2HD2 LEU 100 124.528 5.647 2.421 158 3HD2 LEU 100 3HD2 LEU 100 123.117 6.318 3.240 159 H PHE 101 H PHE 101 123.849 1.395 -1.188 160 HA PHE 101 HA PHE 101 126.644 1.498 -1.447 161 1HB PHE 101 2HB PHE 101 125.367 -0.609 -1.326 162 2HB PHE 101 1HB PHE 101 124.685 -0.281 -2.915 163 HD1 PHE 101 HD1 PHE 101 125.513 -1.922 -4.314 164 HD2 PHE 101 HD2 PHE 101 128.173 0.094 -1.673 165 HE1 PHE 101 HE1 PHE 101 127.421 -3.066 -5.365 166 HE2 PHE 101 HE2 PHE 101 130.084 -1.047 -2.720 167 HZ PHE 101 HZ PHE 101 129.710 -2.630 -4.570 168 H ARG 102 H ARG 102 124.046 2.111 -3.773 169 HA ARG 102 HA ARG 102 125.613 2.368 -6.072 170 1HB ARG 102 2HB ARG 102 122.958 3.507 -5.249 171 2HB ARG 102 1HB ARG 102 123.687 3.954 -6.785 172 1HG ARG 102 2HG ARG 102 123.603 1.729 -7.580 173 2HG ARG 102 1HG ARG 102 123.210 1.099 -5.979 174 1HD ARG 102 2HD ARG 102 121.180 2.845 -6.336 175 2HD ARG 102 1HD ARG 102 121.479 2.359 -8.005 176 HE ARG 102 HE ARG 102 120.353 0.753 -5.901 177 1HH1 ARG 102 1HH1 ARG 102 122.038 0.699 -8.958 178 2HH1 ARG 102 2HH1 ARG 102 121.494 -0.889 -9.372 179 1HH2 ARG 102 1HH2 ARG 102 119.637 -1.339 -6.445 180 2HH2 ARG 102 2HH2 ARG 102 120.131 -2.048 -7.947 181 H MET 103 H MET 103 124.730 4.730 -3.597 182 HA MET 103 HA MET 103 125.646 7.059 -4.766 183 1HB MET 103 2HB MET 103 125.584 6.149 -1.900 184 2HB MET 103 1HB MET 103 126.188 7.742 -2.339 185 1HG MET 103 2HG MET 103 123.433 6.675 -2.915 186 2HG MET 103 1HG MET 103 123.859 7.830 -1.652 187 1HE MET 103 1HE MET 103 122.905 10.928 -3.241 188 2HE MET 103 2HE MET 103 124.346 10.596 -2.279 189 3HE MET 103 3HE MET 103 122.827 9.784 -1.900 190 H PHE 104 H PHE 104 127.461 4.421 -3.398 191 HA PHE 104 HA PHE 104 129.949 5.849 -3.269 192 1HB PHE 104 2HB PHE 104 128.988 3.145 -2.640 193 2HB PHE 104 1HB PHE 104 130.637 3.195 -3.252 194 HD1 PHE 104 HD1 PHE 104 128.403 4.602 -0.652 195 HD2 PHE 104 HD2 PHE 104 132.407 3.834 -1.873 196 HE1 PHE 104 HE1 PHE 104 129.205 5.265 1.576 197 HE2 PHE 104 HE2 PHE 104 133.217 4.495 0.354 198 HZ PHE 104 HZ PHE 104 131.614 5.213 2.082 199 H ASP 105 H ASP 105 128.186 4.209 -5.720 200 HA ASP 105 HA ASP 105 130.544 3.822 -7.394 201 1HB ASP 105 2HB ASP 105 127.658 3.009 -7.616 202 2HB ASP 105 1HB ASP 105 128.714 2.963 -9.025 203 H LYS 106 H LYS 106 130.885 4.885 -9.338 204 HA LYS 106 HA LYS 106 129.463 7.433 -9.593 205 1HB LYS 106 2HB LYS 106 132.071 6.523 -10.823 206 2HB LYS 106 1HB LYS 106 131.366 8.125 -10.999 207 1HG LYS 106 2HG LYS 106 131.856 7.099 -8.255 208 2HG LYS 106 1HG LYS 106 133.238 7.628 -9.220 209 1HD LYS 106 2HD LYS 106 132.667 9.596 -8.183 210 2HD LYS 106 1HD LYS 106 131.712 9.722 -9.663 211 1HE LYS 106 2HE LYS 106 130.072 8.330 -7.916 212 2HE LYS 106 1HE LYS 106 130.845 9.545 -6.899 213 1HZ LYS 106 1HZ LYS 106 128.664 10.010 -8.336 214 2HZ LYS 106 2HZ LYS 106 129.837 10.478 -9.460 215 3HZ LYS 106 3HZ LYS 106 129.783 11.217 -7.940 216 H ASN 107 H ASN 107 130.241 4.504 -11.368 217 HA ASN 107 HA ASN 107 128.552 5.463 -13.586 218 1HB ASN 107 2HB ASN 107 129.767 3.783 -14.986 219 2HB ASN 107 1HB ASN 107 130.793 5.074 -14.368 220 1HD2 ASN 107 1HD2 ASN 107 132.142 3.026 -15.185 221 2HD2 ASN 107 2HD2 ASN 107 132.698 2.025 -13.890 222 H ALA 108 H ALA 108 127.986 3.893 -10.971 223 HA ALA 108 HA ALA 108 126.757 2.090 -10.277 224 1HB ALA 108 1HB ALA 108 124.667 1.772 -11.597 225 2HB ALA 108 2HB ALA 108 125.322 2.878 -12.805 226 3HB ALA 108 3HB ALA 108 125.003 3.450 -11.168 227 H ASP 109 H ASP 109 128.675 0.693 -10.739 228 HA ASP 109 HA ASP 109 128.093 -1.216 -12.908 229 1HB ASP 109 2HB ASP 109 130.484 -1.775 -12.904 230 2HB ASP 109 1HB ASP 109 130.231 -0.059 -13.213 231 H GLY 110 H GLY 110 128.238 -0.809 -9.536 232 1HA GLY 110 2HA GLY 110 127.384 -2.463 -8.055 233 2HA GLY 110 1HA GLY 110 127.897 -3.703 -9.190 234 H TYR 111 H TYR 111 130.515 -2.012 -9.332 235 HA TYR 111 HA TYR 111 131.673 -2.942 -6.794 236 1HB TYR 111 2HB TYR 111 133.026 -3.210 -9.484 237 2HB TYR 111 1HB TYR 111 133.615 -3.807 -7.936 238 HD1 TYR 111 HD1 TYR 111 133.047 -5.958 -7.193 239 HD2 TYR 111 HD2 TYR 111 130.887 -4.227 -10.424 240 HE1 TYR 111 HE1 TYR 111 131.936 -8.115 -7.597 241 HE2 TYR 111 HE2 TYR 111 129.770 -6.378 -10.837 242 HH TYR 111 HH TYR 111 129.225 -8.498 -9.284 243 H ILE 112 H ILE 112 133.177 -1.614 -5.878 244 HA ILE 112 HA ILE 112 133.648 0.943 -7.257 245 HB ILE 112 HB ILE 112 133.851 0.400 -4.295 246 1HG1 ILE 112 2HG1 ILE 112 131.669 2.101 -5.322 247 2HG1 ILE 112 1HG1 ILE 112 131.521 0.389 -5.708 248 1HG2 ILE 112 1HG2 ILE 112 133.750 3.001 -5.817 249 2HG2 ILE 112 2HG2 ILE 112 135.205 2.277 -5.133 250 3HG2 ILE 112 3HG2 ILE 112 133.903 2.812 -4.070 251 1HD1 ILE 112 1HD1 ILE 112 131.772 1.609 -2.971 252 2HD1 ILE 112 2HD1 ILE 112 131.764 -0.124 -3.303 253 3HD1 ILE 112 3HD1 ILE 112 130.344 0.853 -3.676 254 H ASP 113 H ASP 113 135.667 1.599 -7.695 255 HA ASP 113 HA ASP 113 137.873 -0.131 -6.802 256 1HB ASP 113 2HB ASP 113 137.207 0.472 -9.350 257 2HB ASP 113 1HB ASP 113 138.323 1.793 -9.012 258 H LEU 114 H LEU 114 140.054 1.304 -7.070 259 HA LEU 114 HA LEU 114 140.028 3.052 -4.861 260 1HB LEU 114 2HB LEU 114 142.104 2.655 -7.014 261 2HB LEU 114 1HB LEU 114 142.360 3.587 -5.551 262 HG LEU 114 HG LEU 114 141.478 1.144 -4.592 263 1HD1 LEU 114 1HD1 LEU 114 143.454 0.612 -6.802 264 2HD1 LEU 114 2HD1 LEU 114 141.733 0.246 -6.902 265 3HD1 LEU 114 3HD1 LEU 114 142.738 -0.561 -5.697 266 1HD2 LEU 114 1HD2 LEU 114 143.184 2.208 -3.447 267 2HD2 LEU 114 2HD2 LEU 114 144.157 2.440 -4.898 268 3HD2 LEU 114 3HD2 LEU 114 144.018 0.837 -4.175 269 H GLU 115 H GLU 115 139.721 3.586 -8.303 270 HA GLU 115 HA GLU 115 140.230 6.379 -8.264 271 1HB GLU 115 2HB GLU 115 139.983 4.549 -10.235 272 2HB GLU 115 1HB GLU 115 138.400 5.308 -10.327 273 1HG GLU 115 2HG GLU 115 139.269 7.357 -10.934 274 2HG GLU 115 1HG GLU 115 140.859 6.997 -10.263 275 H GLU 116 H GLU 116 137.148 4.616 -8.659 276 HA GLU 116 HA GLU 116 135.470 6.825 -8.415 277 1HB GLU 116 2HB GLU 116 135.144 3.887 -8.086 278 2HB GLU 116 1HB GLU 116 133.868 4.916 -7.451 279 1HG GLU 116 2HG GLU 116 133.052 5.302 -9.475 280 2HG GLU 116 1HG GLU 116 134.642 5.711 -10.119 281 H LEU 117 H LEU 117 136.558 4.550 -5.913 282 HA LEU 117 HA LEU 117 135.174 5.597 -3.748 283 1HB LEU 117 2HB LEU 117 136.625 3.495 -3.881 284 2HB LEU 117 1HB LEU 117 137.987 4.549 -3.554 285 HG LEU 117 HG LEU 117 136.746 5.268 -1.448 286 1HD1 LEU 117 1HD1 LEU 117 135.054 3.800 -0.587 287 2HD1 LEU 117 2HD1 LEU 117 135.187 2.750 -1.997 288 3HD1 LEU 117 3HD1 LEU 117 134.546 4.384 -2.172 289 1HD2 LEU 117 1HD2 LEU 117 138.692 3.745 -1.491 290 2HD2 LEU 117 2HD2 LEU 117 137.588 2.380 -1.641 291 3HD2 LEU 117 3HD2 LEU 117 137.562 3.380 -0.188 292 H LYS 118 H LYS 118 137.993 6.812 -5.384 293 HA LYS 118 HA LYS 118 138.758 8.639 -3.310 294 1HB LYS 118 2HB LYS 118 140.398 7.782 -4.918 295 2HB LYS 118 1HB LYS 118 139.526 8.557 -6.233 296 1HG LYS 118 2HG LYS 118 139.947 10.749 -5.049 297 2HG LYS 118 1HG LYS 118 141.061 9.861 -4.007 298 1HD LYS 118 2HD LYS 118 141.328 9.624 -6.971 299 2HD LYS 118 1HD LYS 118 141.928 11.075 -6.164 300 1HE LYS 118 2HE LYS 118 143.806 9.787 -6.058 301 2HE LYS 118 1HE LYS 118 143.029 9.285 -4.557 302 1HZ LYS 118 1HZ LYS 118 141.961 7.556 -6.271 303 2HZ LYS 118 2HZ LYS 118 143.381 7.248 -5.408 304 3HZ LYS 118 3HZ LYS 118 143.466 7.793 -7.007 305 H ILE 119 H ILE 119 136.665 8.727 -6.100 306 HA ILE 119 HA ILE 119 136.415 11.555 -6.261 307 HB ILE 119 HB ILE 119 134.422 9.488 -7.194 308 1HG1 ILE 119 2HG1 ILE 119 136.681 10.724 -8.778 309 2HG1 ILE 119 1HG1 ILE 119 136.770 9.130 -8.036 310 1HG2 ILE 119 1HG2 ILE 119 134.246 11.474 -8.976 311 2HG2 ILE 119 2HG2 ILE 119 134.727 12.407 -7.557 312 3HG2 ILE 119 3HG2 ILE 119 133.270 11.415 -7.507 313 1HD1 ILE 119 1HD1 ILE 119 134.392 9.221 -9.553 314 2HD1 ILE 119 2HD1 ILE 119 135.844 8.263 -9.842 315 3HD1 ILE 119 3HD1 ILE 119 135.693 9.869 -10.553 316 H MET 120 H MET 120 134.264 9.042 -4.930 317 HA MET 120 HA MET 120 132.292 10.725 -3.925 318 1HB MET 120 2HB MET 120 132.188 8.219 -4.099 319 2HB MET 120 1HB MET 120 133.193 8.136 -2.658 320 1HG MET 120 2HG MET 120 131.236 9.761 -1.778 321 2HG MET 120 1HG MET 120 130.343 8.790 -2.947 322 1HE MET 120 1HE MET 120 132.365 7.792 0.885 323 2HE MET 120 2HE MET 120 133.060 8.676 -0.473 324 3HE MET 120 3HE MET 120 133.289 6.932 -0.347 325 H LEU 121 H LEU 121 135.370 9.750 -2.527 326 HA LEU 121 HA LEU 121 134.856 10.908 0.039 327 1HB LEU 121 2HB LEU 121 137.225 9.727 -1.337 328 2HB LEU 121 1HB LEU 121 137.492 10.717 0.085 329 HG LEU 121 HG LEU 121 135.481 8.532 0.283 330 1HD1 LEU 121 1HD1 LEU 121 138.359 8.142 -0.244 331 2HD1 LEU 121 2HD1 LEU 121 136.991 7.073 -0.551 332 3HD1 LEU 121 3HD1 LEU 121 137.664 7.198 1.074 333 1HD2 LEU 121 1HD2 LEU 121 136.947 8.438 2.516 334 2HD2 LEU 121 2HD2 LEU 121 135.597 9.552 2.301 335 3HD2 LEU 121 3HD2 LEU 121 137.251 10.112 2.049 336 H GLN 122 H GLN 122 136.427 11.966 -2.927 337 HA GLN 122 HA GLN 122 137.545 14.348 -1.862 338 1HB GLN 122 2HB GLN 122 136.988 13.320 -4.619 339 2HB GLN 122 1HB GLN 122 137.444 15.004 -4.401 340 1HG GLN 122 2HG GLN 122 139.284 13.539 -2.897 341 2HG GLN 122 1HG GLN 122 139.085 12.646 -4.404 342 1HE2 GLN 122 1HE2 GLN 122 141.330 14.255 -3.323 343 2HE2 GLN 122 2HE2 GLN 122 141.694 15.409 -4.558 344 H ALA 123 H ALA 123 134.411 13.497 -3.125 345 HA ALA 123 HA ALA 123 133.428 16.083 -3.646 346 1HB ALA 123 1HB ALA 123 132.015 14.569 -4.560 347 2HB ALA 123 2HB ALA 123 131.176 14.772 -3.022 348 3HB ALA 123 3HB ALA 123 132.254 13.398 -3.262 349 H THR 124 H THR 124 133.856 14.299 -0.691 350 HA THR 124 HA THR 124 132.041 15.710 0.940 351 HB THR 124 HB THR 124 133.163 14.725 2.795 352 HG1 THR 124 HG1 THR 124 135.362 14.341 1.049 353 1HG2 THR 124 1HG2 THR 124 133.298 12.432 2.277 354 2HG2 THR 124 2HG2 THR 124 133.674 12.762 0.586 355 3HG2 THR 124 3HG2 THR 124 132.065 13.110 1.217 356 H GLY 125 H GLY 125 133.040 16.933 2.962 357 1HA GLY 125 2HA GLY 125 134.617 19.143 1.814 358 2HA GLY 125 1HA GLY 125 133.501 19.293 3.163 359 H GLU 126 H GLU 126 135.232 16.475 3.561 360 HA GLU 126 HA GLU 126 136.926 17.749 5.565 361 1HB GLU 126 2HB GLU 126 136.254 14.851 5.035 362 2HB GLU 126 1HB GLU 126 137.352 15.389 6.300 363 1HG GLU 126 2HG GLU 126 134.682 16.637 6.279 364 2HG GLU 126 1HG GLU 126 134.743 14.925 6.691 365 H THR 127 H THR 127 139.085 16.321 5.854 366 HA THR 127 HA THR 127 140.428 16.409 3.231 367 HB THR 127 HB THR 127 142.518 16.842 4.558 368 HG1 THR 127 HG1 THR 127 141.663 16.047 6.564 369 1HG2 THR 127 1HG2 THR 127 142.104 18.933 3.976 370 2HG2 THR 127 2HG2 THR 127 141.286 19.139 5.525 371 3HG2 THR 127 3HG2 THR 127 140.363 18.684 4.094 372 H ILE 128 H ILE 128 140.881 14.461 2.466 373 HA ILE 128 HA ILE 128 141.747 12.373 4.356 374 HB ILE 128 HB ILE 128 140.170 11.828 1.844 375 1HG1 ILE 128 2HG1 ILE 128 138.474 11.167 3.849 376 2HG1 ILE 128 1HG1 ILE 128 139.283 12.552 4.575 377 1HG2 ILE 128 1HG2 ILE 128 141.320 9.889 2.360 378 2HG2 ILE 128 2HG2 ILE 128 139.789 9.650 3.202 379 3HG2 ILE 128 3HG2 ILE 128 141.218 10.168 4.098 380 1HD1 ILE 128 1HD1 ILE 128 137.976 12.602 1.869 381 2HD1 ILE 128 2HD1 ILE 128 138.601 13.973 2.786 382 3HD1 ILE 128 3HD1 ILE 128 137.185 13.097 3.366 383 H THR 129 H THR 129 143.585 11.330 3.857 384 HA THR 129 HA THR 129 145.097 12.238 1.568 385 HB THR 129 HB THR 129 146.305 12.021 3.623 386 HG1 THR 129 HG1 THR 129 147.722 11.413 2.154 387 1HG2 THR 129 1HG2 THR 129 145.546 10.549 5.114 388 2HG2 THR 129 2HG2 THR 129 146.581 9.396 4.274 389 3HG2 THR 129 3HG2 THR 129 144.866 9.497 3.873 390 H GLU 130 H GLU 130 146.455 10.430 0.442 391 HA GLU 130 HA GLU 130 144.572 8.752 -0.924 392 1HB GLU 130 2HB GLU 130 146.619 8.001 -2.193 393 2HB GLU 130 1HB GLU 130 146.284 9.726 -2.257 394 1HG GLU 130 2HG GLU 130 148.059 10.247 -0.843 395 2HG GLU 130 1HG GLU 130 148.187 8.595 -0.242 396 H ASP 131 H ASP 131 147.086 8.306 1.477 397 HA ASP 131 HA ASP 131 147.288 5.504 1.343 398 1HB ASP 131 2HB ASP 131 148.613 7.431 2.710 399 2HB ASP 131 1HB ASP 131 147.620 6.760 4.001 400 H ASP 132 H ASP 132 145.339 7.591 3.468 401 HA ASP 132 HA ASP 132 144.101 5.600 4.958 402 1HB ASP 132 2HB ASP 132 144.023 8.223 5.133 403 2HB ASP 132 1HB ASP 132 142.562 8.041 4.167 404 H ILE 133 H ILE 133 143.231 6.934 1.809 405 HA ILE 133 HA ILE 133 140.755 5.539 1.600 406 HB ILE 133 HB ILE 133 142.443 6.632 -0.652 407 1HG1 ILE 133 2HG1 ILE 133 140.149 8.067 0.664 408 2HG1 ILE 133 1HG1 ILE 133 141.791 8.229 1.279 409 1HG2 ILE 133 1HG2 ILE 133 140.667 5.103 -1.354 410 2HG2 ILE 133 2HG2 ILE 133 140.337 6.756 -1.870 411 3HG2 ILE 133 3HG2 ILE 133 139.484 6.079 -0.483 412 1HD1 ILE 133 1HD1 ILE 133 142.528 9.308 -0.646 413 2HD1 ILE 133 2HD1 ILE 133 140.928 9.990 -0.358 414 3HD1 ILE 133 3HD1 ILE 133 141.151 8.755 -1.596 415 H GLU 134 H GLU 134 144.017 4.953 0.323 416 HA GLU 134 HA GLU 134 143.443 2.680 -1.192 417 1HB GLU 134 2HB GLU 134 145.887 3.820 0.064 418 2HB GLU 134 1HB GLU 134 145.958 2.146 -0.471 419 1HG GLU 134 2HG GLU 134 144.825 3.410 -2.620 420 2HG GLU 134 1HG GLU 134 145.964 4.612 -2.018 421 H GLU 135 H GLU 135 144.578 2.913 2.173 422 HA GLU 135 HA GLU 135 144.579 0.144 2.680 423 1HB GLU 135 2HB GLU 135 144.692 0.750 5.039 424 2HB GLU 135 1HB GLU 135 145.771 1.761 4.090 425 1HG GLU 135 2HG GLU 135 144.665 3.641 4.595 426 2HG GLU 135 1HG GLU 135 143.086 2.867 4.481 427 H LEU 136 H LEU 136 142.042 2.528 2.703 428 HA LEU 136 HA LEU 136 140.154 1.168 4.278 429 1HB LEU 136 2HB LEU 136 140.223 3.591 3.139 430 2HB LEU 136 1HB LEU 136 139.204 2.773 1.971 431 HG LEU 136 HG LEU 136 138.337 2.269 4.702 432 1HD1 LEU 136 1HD1 LEU 136 138.894 5.053 3.865 433 2HD1 LEU 136 2HD1 LEU 136 138.864 4.334 5.474 434 3HD1 LEU 136 3HD1 LEU 136 137.352 4.741 4.662 435 1HD2 LEU 136 1HD2 LEU 136 136.239 3.368 3.575 436 2HD2 LEU 136 2HD2 LEU 136 136.766 1.750 3.114 437 3HD2 LEU 136 3HD2 LEU 136 137.173 3.134 2.099 438 H MET 137 H MET 137 141.082 0.846 0.924 439 HA MET 137 HA MET 137 138.861 -0.665 0.048 440 1HB MET 137 2HB MET 137 141.586 -0.074 -0.960 441 2HB MET 137 1HB MET 137 140.816 -1.519 -1.600 442 1HG MET 137 2HG MET 137 138.990 0.708 -1.609 443 2HG MET 137 1HG MET 137 140.480 1.106 -2.463 444 1HE MET 137 1HE MET 137 137.269 0.007 -2.442 445 2HE MET 137 2HE MET 137 137.017 -1.393 -3.484 446 3HE MET 137 3HE MET 137 137.142 0.220 -4.187 447 H LYS 138 H LYS 138 141.912 -1.542 1.565 448 HA LYS 138 HA LYS 138 141.626 -4.350 1.197 449 1HB LYS 138 2HB LYS 138 143.705 -2.810 1.881 450 2HB LYS 138 1HB LYS 138 143.205 -3.312 3.490 451 1HG LYS 138 2HG LYS 138 143.382 -5.664 2.787 452 2HG LYS 138 1HG LYS 138 143.949 -5.126 1.205 453 1HD LYS 138 2HD LYS 138 145.363 -4.124 3.624 454 2HD LYS 138 1HD LYS 138 145.635 -5.796 3.129 455 1HE LYS 138 2HE LYS 138 146.767 -5.199 1.264 456 2HE LYS 138 1HE LYS 138 145.762 -3.778 0.983 457 1HZ LYS 138 1HZ LYS 138 147.510 -3.685 3.306 458 2HZ LYS 138 2HZ LYS 138 147.118 -2.470 2.198 459 3HZ LYS 138 3HZ LYS 138 148.276 -3.637 1.799 460 H ASP 139 H ASP 139 140.472 -2.076 3.562 461 HA ASP 139 HA ASP 139 139.808 -4.050 5.536 462 1HB ASP 139 2HB ASP 139 140.187 -1.385 5.677 463 2HB ASP 139 1HB ASP 139 138.429 -1.427 5.582 464 H GLY 140 H GLY 140 138.471 -3.349 2.576 465 1HA GLY 140 2HA GLY 140 135.817 -4.278 3.480 466 2HA GLY 140 1HA GLY 140 136.020 -3.117 2.179 467 H ASP 141 H ASP 141 138.411 -4.633 1.184 468 HA ASP 141 HA ASP 141 136.918 -6.497 -0.460 469 1HB ASP 141 2HB ASP 141 139.164 -4.840 -0.859 470 2HB ASP 141 1HB ASP 141 139.750 -6.494 -1.004 471 H LYS 142 H LYS 142 136.474 -8.279 0.772 472 HA LYS 142 HA LYS 142 138.359 -9.545 2.475 473 1HB LYS 142 2HB LYS 142 135.835 -10.658 1.236 474 2HB LYS 142 1HB LYS 142 136.730 -11.391 2.560 475 1HG LYS 142 2HG LYS 142 135.398 -8.690 2.642 476 2HG LYS 142 1HG LYS 142 134.749 -10.179 3.334 477 1HD LYS 142 2HD LYS 142 137.409 -8.995 4.114 478 2HD LYS 142 1HD LYS 142 135.902 -8.661 4.968 479 1HE LYS 142 2HE LYS 142 135.867 -10.683 5.959 480 2HE LYS 142 1HE LYS 142 136.474 -11.509 4.524 481 1HZ LYS 142 1HZ LYS 142 138.616 -11.253 5.167 482 2HZ LYS 142 2HZ LYS 142 137.912 -11.246 6.706 483 3HZ LYS 142 3HZ LYS 142 138.339 -9.787 5.965 484 H ASN 143 H ASN 143 137.678 -9.761 -0.918 485 HA ASN 143 HA ASN 143 139.362 -12.150 -1.164 486 1HB ASN 143 2HB ASN 143 138.533 -12.115 -3.563 487 2HB ASN 143 1HB ASN 143 137.316 -12.436 -2.332 488 1HD2 ASN 143 1HD2 ASN 143 135.579 -11.715 -3.460 489 2HD2 ASN 143 2HD2 ASN 143 135.343 -10.063 -3.908 490 H ASN 144 H ASN 144 139.853 -8.951 -1.038 491 HA ASN 144 HA ASN 144 141.348 -7.465 -1.909 492 1HB ASN 144 2HB ASN 144 142.667 -9.639 -0.930 493 2HB ASN 144 1HB ASN 144 143.312 -9.562 -2.568 494 1HD2 ASN 144 1HD2 ASN 144 145.350 -9.046 -1.690 495 2HD2 ASN 144 2HD2 ASN 144 145.701 -7.450 -1.128 496 H ASP 145 H ASP 145 139.488 -8.388 -3.850 497 HA ASP 145 HA ASP 145 140.932 -8.973 -6.275 498 1HB ASP 145 2HB ASP 145 138.668 -9.868 -5.879 499 2HB ASP 145 1HB ASP 145 138.027 -8.228 -5.868 500 H GLY 146 H GLY 146 140.614 -6.199 -4.533 501 1HA GLY 146 2HA GLY 146 141.445 -4.107 -5.199 502 2HA GLY 146 1HA GLY 146 141.224 -4.578 -6.878 503 H ARG 147 H ARG 147 138.396 -5.483 -5.913 504 HA ARG 147 HA ARG 147 137.184 -2.814 -5.759 505 1HB ARG 147 2HB ARG 147 136.229 -5.020 -7.591 506 2HB ARG 147 1HB ARG 147 135.511 -3.424 -7.419 507 1HG ARG 147 2HG ARG 147 138.078 -2.796 -8.059 508 2HG ARG 147 1HG ARG 147 137.840 -4.291 -8.965 509 1HD ARG 147 2HD ARG 147 135.501 -2.862 -9.388 510 2HD ARG 147 1HD ARG 147 136.767 -1.635 -9.438 511 HE ARG 147 HE ARG 147 137.628 -3.763 -11.001 512 1HH1 ARG 147 1HH1 ARG 147 135.034 -1.427 -11.005 513 2HH1 ARG 147 2HH1 ARG 147 134.879 -1.417 -12.729 514 1HH2 ARG 147 1HH2 ARG 147 137.425 -3.750 -13.269 515 2HH2 ARG 147 2HH2 ARG 147 136.236 -2.735 -14.014 516 H ILE 148 H ILE 148 135.233 -2.689 -4.663 517 HA ILE 148 HA ILE 148 134.540 -5.092 -3.110 518 HB ILE 148 HB ILE 148 133.945 -2.218 -2.406 519 1HG1 ILE 148 2HG1 ILE 148 135.999 -3.926 -1.034 520 2HG1 ILE 148 1HG1 ILE 148 136.424 -3.013 -2.478 521 1HG2 ILE 148 1HG2 ILE 148 133.121 -2.970 -0.379 522 2HG2 ILE 148 2HG2 ILE 148 133.952 -4.521 -0.499 523 3HG2 ILE 148 3HG2 ILE 148 132.535 -4.197 -1.500 524 1HD1 ILE 148 1HD1 ILE 148 135.994 -2.110 0.261 525 2HD1 ILE 148 2HD1 ILE 148 135.188 -1.120 -0.957 526 3HD1 ILE 148 3HD1 ILE 148 136.929 -1.383 -1.047 527 H ASP 149 H ASP 149 132.584 -5.970 -3.323 528 HA ASP 149 HA ASP 149 130.604 -4.531 -4.951 529 1HB ASP 149 2HB ASP 149 129.599 -6.710 -5.407 530 2HB ASP 149 1HB ASP 149 131.312 -6.731 -5.811 531 H TYR 150 H TYR 150 128.261 -5.522 -4.344 532 HA TYR 150 HA TYR 150 127.553 -4.303 -1.930 533 1HB TYR 150 2HB TYR 150 125.993 -4.696 -3.821 534 2HB TYR 150 1HB TYR 150 126.001 -6.415 -3.444 535 HD1 TYR 150 HD1 TYR 150 125.520 -3.226 -1.534 536 HD2 TYR 150 HD2 TYR 150 124.111 -7.153 -2.368 537 HE1 TYR 150 HE1 TYR 150 123.651 -2.883 0.029 538 HE2 TYR 150 HE2 TYR 150 122.239 -6.821 -0.807 539 HH TYR 150 HH TYR 150 120.983 -4.474 0.084 540 H ASP 151 H ASP 151 128.788 -7.448 -2.543 541 HA ASP 151 HA ASP 151 127.775 -8.615 -0.104 542 1HB ASP 151 2HB ASP 151 129.435 -9.519 -2.390 543 2HB ASP 151 1HB ASP 151 129.730 -10.319 -0.850 544 H GLU 152 H GLU 152 130.977 -7.673 -1.334 545 HA GLU 152 HA GLU 152 132.326 -8.070 1.121 546 1HB GLU 152 2HB GLU 152 133.164 -6.241 -1.131 547 2HB GLU 152 1HB GLU 152 134.203 -6.982 0.078 548 1HG GLU 152 2HG GLU 152 134.174 -9.022 -0.942 549 2HG GLU 152 1HG GLU 152 132.592 -8.760 -1.671 550 H PHE 153 H PHE 153 130.734 -5.287 -0.341 551 HA PHE 153 HA PHE 153 131.707 -3.423 1.599 552 1HB PHE 153 2HB PHE 153 130.526 -3.170 -0.851 553 2HB PHE 153 1HB PHE 153 129.205 -2.724 0.223 554 HD1 PHE 153 HD1 PHE 153 130.136 -1.156 2.270 555 HD2 PHE 153 HD2 PHE 153 131.733 -1.412 -1.667 556 HE1 PHE 153 HE1 PHE 153 131.107 1.091 2.521 557 HE2 PHE 153 HE2 PHE 153 132.707 0.834 -1.421 558 HZ PHE 153 HZ PHE 153 132.393 2.089 0.674 559 H LEU 154 H LEU 154 129.054 -5.641 1.466 560 HA LEU 154 HA LEU 154 127.255 -4.465 3.236 561 1HB LEU 154 2HB LEU 154 127.433 -6.867 1.906 562 2HB LEU 154 1HB LEU 154 127.559 -7.357 3.583 563 HG LEU 154 HG LEU 154 125.252 -7.469 2.849 564 1HD1 LEU 154 1HD1 LEU 154 124.265 -5.801 4.505 565 2HD1 LEU 154 2HD1 LEU 154 125.930 -5.314 4.824 566 3HD1 LEU 154 3HD1 LEU 154 125.423 -6.975 5.131 567 1HD2 LEU 154 1HD2 LEU 154 124.823 -6.017 1.164 568 2HD2 LEU 154 2HD2 LEU 154 125.854 -4.755 1.838 569 3HD2 LEU 154 3HD2 LEU 154 124.241 -5.021 2.499 570 H GLU 155 H GLU 155 130.201 -6.278 3.842 571 HA GLU 155 HA GLU 155 129.819 -6.445 6.677 572 1HB GLU 155 2HB GLU 155 131.985 -7.131 4.756 573 2HB GLU 155 1HB GLU 155 132.441 -6.895 6.438 574 1HG GLU 155 2HG GLU 155 130.105 -8.567 6.238 575 2HG GLU 155 1HG GLU 155 131.427 -9.208 5.263 576 H PHE 156 H PHE 156 131.102 -4.091 4.498 577 HA PHE 156 HA PHE 156 132.787 -2.721 6.320 578 1HB PHE 156 2HB PHE 156 132.223 -2.537 3.609 579 2HB PHE 156 1HB PHE 156 131.610 -1.022 4.263 580 HD1 PHE 156 HD1 PHE 156 133.500 -0.447 6.408 581 HD2 PHE 156 HD2 PHE 156 134.186 -2.009 2.510 582 HE1 PHE 156 HE1 PHE 156 135.786 0.461 6.451 583 HE2 PHE 156 HE2 PHE 156 136.474 -1.104 2.546 584 HZ PHE 156 HZ PHE 156 137.277 0.132 4.520 585 H MET 157 H MET 157 129.460 -3.039 6.318 586 HA MET 157 HA MET 157 129.186 -0.566 7.888 587 1HB MET 157 2HB MET 157 127.858 -1.142 5.525 588 2HB MET 157 1HB MET 157 126.686 -1.572 6.761 589 1HG MET 157 2HG MET 157 126.124 0.577 6.741 590 2HG MET 157 1HG MET 157 127.609 0.842 7.651 591 1HE MET 157 1HE MET 157 130.033 0.714 4.961 592 2HE MET 157 2HE MET 157 129.774 1.049 6.673 593 3HE MET 157 3HE MET 157 130.045 2.378 5.546 594 H LYS 158 H LYS 158 129.600 -3.636 8.369 595 HA LYS 158 HA LYS 158 127.295 -4.346 9.935 596 1HB LYS 158 2HB LYS 158 128.878 -5.920 8.649 597 2HB LYS 158 1HB LYS 158 129.946 -5.755 10.036 598 1HG LYS 158 2HG LYS 158 128.007 -6.512 11.463 599 2HG LYS 158 1HG LYS 158 127.181 -6.924 9.960 600 1HD LYS 158 2HD LYS 158 128.867 -8.513 9.383 601 2HD LYS 158 1HD LYS 158 129.904 -7.975 10.707 602 1HE LYS 158 2HE LYS 158 127.225 -9.333 10.984 603 2HE LYS 158 1HE LYS 158 128.799 -10.079 11.256 604 1HZ LYS 158 1HZ LYS 158 128.223 -9.512 13.373 605 2HZ LYS 158 2HZ LYS 158 127.351 -8.140 12.909 606 3HZ LYS 158 3HZ LYS 158 129.042 -8.101 12.928 607 H GLY 159 H GLY 159 129.008 -1.935 10.701 608 1HA GLY 159 2HA GLY 159 128.790 -1.230 13.056 609 2HA GLY 159 1HA GLY 159 129.481 -2.783 13.492 610 H VAL 160 H VAL 160 131.349 -2.358 11.056 611 HA VAL 160 HA VAL 160 133.636 -1.639 12.388 612 HB VAL 160 HB VAL 160 134.664 -1.201 10.212 613 1HG1 VAL 160 1HG1 VAL 160 132.888 -3.445 9.513 614 2HG1 VAL 160 2HG1 VAL 160 133.687 -3.558 11.082 615 3HG1 VAL 160 3HG1 VAL 160 134.648 -3.375 9.615 616 1HG2 VAL 160 1HG2 VAL 160 131.824 -1.241 9.204 617 2HG2 VAL 160 2HG2 VAL 160 133.244 -1.351 8.163 618 3HG2 VAL 160 3HG2 VAL 160 132.969 0.099 9.129 619 H GLU 161 H GLU 161 131.331 0.470 10.755 620 HA GLU 161 HA GLU 161 132.835 2.798 11.754 621 1HB GLU 161 2HB GLU 161 130.993 2.594 9.364 622 2HB GLU 161 1HB GLU 161 131.718 4.087 9.946 623 1HG GLU 161 2HG GLU 161 133.901 2.480 9.664 624 2HG GLU 161 1HG GLU 161 132.867 1.933 8.343 Start of MODEL 12 1 1H MET 81 1HT MET 81 93.222 -8.862 2.027 2 2H MET 81 2HT MET 81 94.899 -8.632 2.302 3 3H MET 81 3HT MET 81 94.117 -7.803 1.019 4 HA MET 81 HA MET 81 94.620 -6.509 3.073 5 1HB MET 81 2HB MET 81 92.478 -5.315 2.875 6 2HB MET 81 1HB MET 81 93.111 -5.770 1.300 7 1HG MET 81 2HG MET 81 91.480 -7.895 2.085 8 2HG MET 81 1HG MET 81 90.602 -6.434 2.530 9 1HE MET 81 1HE MET 81 92.019 -8.701 0.099 10 2HE MET 81 2HE MET 81 92.727 -7.529 -1.014 11 3HE MET 81 3HE MET 81 91.218 -8.342 -1.431 12 H VAL 82 H VAL 82 92.893 -5.687 4.858 13 HA VAL 82 HA VAL 82 91.892 -6.067 6.869 14 HB VAL 82 HB VAL 82 91.489 -8.933 6.017 15 1HG1 VAL 82 1HG1 VAL 82 89.343 -8.292 7.496 16 2HG1 VAL 82 2HG1 VAL 82 90.543 -7.235 8.238 17 3HG1 VAL 82 3HG1 VAL 82 90.819 -8.976 8.176 18 1HG2 VAL 82 1HG2 VAL 82 90.641 -7.254 4.344 19 2HG2 VAL 82 2HG2 VAL 82 89.551 -6.667 5.599 20 3HG2 VAL 82 3HG2 VAL 82 89.418 -8.329 5.021 21 H ARG 83 H ARG 83 93.544 -9.141 6.093 22 HA ARG 83 HA ARG 83 94.479 -9.672 8.651 23 1HB ARG 83 2HB ARG 83 94.671 -10.881 6.169 24 2HB ARG 83 1HB ARG 83 96.343 -10.509 6.564 25 1HG ARG 83 2HG ARG 83 94.991 -11.640 8.840 26 2HG ARG 83 1HG ARG 83 94.840 -12.691 7.430 27 1HD ARG 83 2HD ARG 83 97.436 -11.551 8.457 28 2HD ARG 83 1HD ARG 83 96.842 -13.173 8.811 29 HE ARG 83 HE ARG 83 98.091 -12.284 6.396 30 1HH1 ARG 83 1HH1 ARG 83 95.828 -14.583 7.729 31 2HH1 ARG 83 2HH1 ARG 83 96.058 -15.735 6.457 32 1HH2 ARG 83 1HH2 ARG 83 98.396 -13.799 4.724 33 2HH2 ARG 83 2HH2 ARG 83 97.515 -15.292 4.751 34 H CYS 84 H CYS 84 96.628 -8.618 6.010 35 HA CYS 84 HA CYS 84 97.694 -6.385 7.322 36 1HB CYS 84 2HB CYS 84 98.525 -8.611 8.626 37 2HB CYS 84 1HB CYS 84 99.804 -8.454 7.428 38 HG CYS 84 HG CYS 84 100.209 -7.119 9.767 39 H MET 85 H MET 85 100.116 -6.030 6.413 40 HA MET 85 HA MET 85 99.933 -6.583 3.527 41 1HB MET 85 2HB MET 85 100.576 -4.170 5.069 42 2HB MET 85 1HB MET 85 101.701 -4.495 3.757 43 1HG MET 85 2HG MET 85 99.355 -4.868 2.486 44 2HG MET 85 1HG MET 85 98.889 -3.655 3.676 45 1HE MET 85 1HE MET 85 99.953 -4.057 0.154 46 2HE MET 85 2HE MET 85 99.912 -2.322 -0.162 47 3HE MET 85 3HE MET 85 98.572 -3.097 0.684 48 H LYS 86 H LYS 86 102.393 -5.990 2.646 49 HA LYS 86 HA LYS 86 103.932 -8.238 3.569 50 1HB LYS 86 2HB LYS 86 104.395 -6.172 1.420 51 2HB LYS 86 1HB LYS 86 105.557 -7.441 1.787 52 1HG LYS 86 2HG LYS 86 103.811 -9.124 1.293 53 2HG LYS 86 1HG LYS 86 102.731 -7.812 0.819 54 1HD LYS 86 2HD LYS 86 104.943 -7.238 -0.653 55 2HD LYS 86 1HD LYS 86 105.005 -9.001 -0.611 56 1HE LYS 86 2HE LYS 86 102.602 -8.999 -1.342 57 2HE LYS 86 1HE LYS 86 102.753 -7.261 -1.595 58 1HZ LYS 86 1HZ LYS 86 104.342 -9.370 -2.955 59 2HZ LYS 86 2HZ LYS 86 104.548 -7.706 -3.174 60 3HZ LYS 86 3HZ LYS 86 103.105 -8.449 -3.649 61 H ASP 87 H ASP 87 105.248 -5.031 2.817 62 HA ASP 87 HA ASP 87 106.496 -4.978 5.481 63 1HB ASP 87 2HB ASP 87 108.576 -4.130 4.455 64 2HB ASP 87 1HB ASP 87 108.179 -5.753 3.898 65 H ASP 88 H ASP 88 105.663 -3.265 6.483 66 HA ASP 88 HA ASP 88 104.430 -1.080 5.258 67 1HB ASP 88 2HB ASP 88 104.756 -1.987 7.856 68 2HB ASP 88 1HB ASP 88 105.597 -0.440 7.857 69 H SER 89 H SER 89 105.488 1.197 6.473 70 HA SER 89 HA SER 89 107.766 1.681 4.726 71 1HB SER 89 2HB SER 89 105.581 3.192 5.253 72 2HB SER 89 1HB SER 89 106.727 3.889 6.396 73 HG SER 89 HG SER 89 106.880 3.757 3.586 74 H LYS 90 H LYS 90 107.905 0.178 7.365 75 HA LYS 90 HA LYS 90 109.148 1.597 9.366 76 1HB LYS 90 2HB LYS 90 108.863 -1.161 8.623 77 2HB LYS 90 1HB LYS 90 110.493 -0.884 9.218 78 1HG LYS 90 2HG LYS 90 107.985 -0.103 10.688 79 2HG LYS 90 1HG LYS 90 108.898 -1.587 10.970 80 1HD LYS 90 2HD LYS 90 110.799 -0.371 11.723 81 2HD LYS 90 1HD LYS 90 110.112 1.162 11.180 82 1HE LYS 90 2HE LYS 90 109.928 0.932 13.598 83 2HE LYS 90 1HE LYS 90 108.334 0.956 12.843 84 1HZ LYS 90 1HZ LYS 90 108.304 -0.758 14.438 85 2HZ LYS 90 2HZ LYS 90 109.789 -1.384 13.930 86 3HZ LYS 90 3HZ LYS 90 108.426 -1.535 12.941 87 H GLY 91 H GLY 91 111.664 0.589 9.837 88 1HA GLY 91 2HA GLY 91 113.238 2.265 8.074 89 2HA GLY 91 1HA GLY 91 113.799 1.467 9.536 90 H LYS 92 H LYS 92 115.398 1.497 7.334 91 HA LYS 92 HA LYS 92 115.223 -1.276 6.350 92 1HB LYS 92 2HB LYS 92 116.203 1.220 4.974 93 2HB LYS 92 1HB LYS 92 116.630 -0.389 4.407 94 1HG LYS 92 2HG LYS 92 113.763 0.017 4.853 95 2HG LYS 92 1HG LYS 92 114.466 1.030 3.589 96 1HD LYS 92 2HD LYS 92 115.307 -0.905 2.432 97 2HD LYS 92 1HD LYS 92 114.805 -1.963 3.752 98 1HE LYS 92 2HE LYS 92 112.454 -0.798 3.191 99 2HE LYS 92 1HE LYS 92 113.208 -0.717 1.599 100 1HZ LYS 92 1HZ LYS 92 112.276 -3.025 3.093 101 2HZ LYS 92 2HZ LYS 92 113.742 -3.234 2.276 102 3HZ LYS 92 3HZ LYS 92 112.356 -2.775 1.421 103 H THR 93 H THR 93 116.826 -2.575 6.913 104 HA THR 93 HA THR 93 119.292 -1.377 7.986 105 HB THR 93 HB THR 93 118.008 -4.045 8.604 106 HG1 THR 93 HG1 THR 93 118.266 -1.626 10.035 107 1HG2 THR 93 1HG2 THR 93 120.037 -3.247 10.461 108 2HG2 THR 93 2HG2 THR 93 120.713 -3.395 8.840 109 3HG2 THR 93 3HG2 THR 93 119.863 -4.757 9.568 110 H GLU 94 H GLU 94 118.627 -4.689 6.889 111 HA GLU 94 HA GLU 94 121.147 -4.874 5.580 112 1HB GLU 94 2HB GLU 94 118.748 -6.699 5.348 113 2HB GLU 94 1HB GLU 94 120.395 -7.088 4.870 114 1HG GLU 94 2HG GLU 94 120.122 -6.220 7.650 115 2HG GLU 94 1HG GLU 94 119.268 -7.713 7.260 116 H GLU 95 H GLU 95 118.030 -3.808 4.590 117 HA GLU 95 HA GLU 95 118.743 -4.035 1.754 118 1HB GLU 95 2HB GLU 95 116.296 -4.242 3.198 119 2HB GLU 95 1HB GLU 95 116.166 -2.867 2.110 120 1HG GLU 95 2HG GLU 95 115.365 -4.668 0.875 121 2HG GLU 95 1HG GLU 95 117.013 -4.436 0.293 122 H GLU 96 H GLU 96 119.527 -1.946 4.008 123 HA GLU 96 HA GLU 96 118.794 0.473 2.522 124 1HB GLU 96 2HB GLU 96 119.263 1.718 4.481 125 2HB GLU 96 1HB GLU 96 118.376 0.299 5.011 126 1HG GLU 96 2HG GLU 96 119.984 -0.103 6.470 127 2HG GLU 96 1HG GLU 96 121.080 -0.411 5.125 128 H LEU 97 H LEU 97 121.498 -1.519 3.426 129 HA LEU 97 HA LEU 97 123.547 0.353 2.830 130 1HB LEU 97 2HB LEU 97 123.448 -2.619 3.171 131 2HB LEU 97 1HB LEU 97 124.907 -1.856 2.572 132 HG LEU 97 HG LEU 97 123.585 -1.357 5.238 133 1HD1 LEU 97 1HD1 LEU 97 126.358 -2.383 4.759 134 2HD1 LEU 97 2HD1 LEU 97 124.974 -3.476 4.799 135 3HD1 LEU 97 3HD1 LEU 97 125.364 -2.495 6.212 136 1HD2 LEU 97 1HD2 LEU 97 125.902 -0.004 3.882 137 2HD2 LEU 97 2HD2 LEU 97 125.676 0.022 5.631 138 3HD2 LEU 97 3HD2 LEU 97 124.456 0.731 4.575 139 H SER 98 H SER 98 121.430 -1.412 0.835 140 HA SER 98 HA SER 98 123.153 -1.775 -1.406 141 1HB SER 98 2HB SER 98 120.708 -1.792 -2.537 142 2HB SER 98 1HB SER 98 121.364 -3.173 -1.655 143 HG SER 98 HG SER 98 119.621 -1.168 -0.652 144 H ASP 99 H ASP 99 120.582 0.584 -0.679 145 HA ASP 99 HA ASP 99 120.883 2.133 -2.990 146 1HB ASP 99 2HB ASP 99 119.173 2.165 -0.872 147 2HB ASP 99 1HB ASP 99 120.146 3.593 -0.531 148 H LEU 100 H LEU 100 122.588 2.171 0.072 149 HA LEU 100 HA LEU 100 123.965 4.628 -0.401 150 1HB LEU 100 2HB LEU 100 124.088 2.450 1.610 151 2HB LEU 100 1HB LEU 100 125.515 3.452 1.432 152 HG LEU 100 HG LEU 100 122.949 4.896 1.717 153 1HD1 LEU 100 1HD1 LEU 100 123.199 4.637 4.248 154 2HD1 LEU 100 2HD1 LEU 100 124.126 3.183 3.880 155 3HD1 LEU 100 3HD1 LEU 100 122.445 3.312 3.360 156 1HD2 LEU 100 1HD2 LEU 100 125.471 5.703 1.620 157 2HD2 LEU 100 2HD2 LEU 100 125.374 5.394 3.353 158 3HD2 LEU 100 3HD2 LEU 100 124.262 6.535 2.598 159 H PHE 101 H PHE 101 124.418 1.379 -1.434 160 HA PHE 101 HA PHE 101 127.236 1.524 -1.865 161 1HB PHE 101 2HB PHE 101 126.067 -0.621 -1.580 162 2HB PHE 101 1HB PHE 101 125.178 -0.338 -3.072 163 HD1 PHE 101 HD1 PHE 101 126.613 0.003 -5.207 164 HD2 PHE 101 HD2 PHE 101 128.046 -1.807 -1.633 165 HE1 PHE 101 HE1 PHE 101 128.406 -1.092 -6.486 166 HE2 PHE 101 HE2 PHE 101 129.842 -2.904 -2.906 167 HZ PHE 101 HZ PHE 101 130.024 -2.547 -5.335 168 H ARG 102 H ARG 102 124.377 2.152 -3.838 169 HA ARG 102 HA ARG 102 125.589 2.310 -6.338 170 1HB ARG 102 2HB ARG 102 123.044 2.835 -5.238 171 2HB ARG 102 1HB ARG 102 123.518 4.292 -6.101 172 1HG ARG 102 2HG ARG 102 122.780 3.307 -7.943 173 2HG ARG 102 1HG ARG 102 124.187 2.246 -7.839 174 1HD ARG 102 2HD ARG 102 122.941 0.589 -6.659 175 2HD ARG 102 1HD ARG 102 121.571 1.680 -6.457 176 HE ARG 102 HE ARG 102 122.114 0.032 -8.703 177 1HH1 ARG 102 1HH1 ARG 102 120.793 3.137 -7.807 178 2HH1 ARG 102 2HH1 ARG 102 119.763 3.239 -9.194 179 1HH2 ARG 102 1HH2 ARG 102 120.759 0.166 -10.529 180 2HH2 ARG 102 2HH2 ARG 102 119.743 1.553 -10.740 181 H MET 103 H MET 103 124.962 4.924 -3.997 182 HA MET 103 HA MET 103 125.999 7.043 -5.433 183 1HB MET 103 2HB MET 103 126.554 8.042 -3.172 184 2HB MET 103 1HB MET 103 124.887 7.536 -3.406 185 1HG MET 103 2HG MET 103 125.274 5.529 -2.135 186 2HG MET 103 1HG MET 103 126.986 5.919 -1.986 187 1HE MET 103 1HE MET 103 127.038 8.946 0.396 188 2HE MET 103 2HE MET 103 127.406 8.673 -1.307 189 3HE MET 103 3HE MET 103 127.966 7.526 -0.089 190 H PHE 104 H PHE 104 127.703 4.731 -3.380 191 HA PHE 104 HA PHE 104 130.247 5.887 -3.481 192 1HB PHE 104 2HB PHE 104 129.140 3.224 -2.846 193 2HB PHE 104 1HB PHE 104 130.828 3.233 -3.351 194 HD1 PHE 104 HD1 PHE 104 132.530 4.033 -1.922 195 HD2 PHE 104 HD2 PHE 104 128.440 4.543 -0.865 196 HE1 PHE 104 HE1 PHE 104 133.205 4.708 0.345 197 HE2 PHE 104 HE2 PHE 104 129.106 5.219 1.406 198 HZ PHE 104 HZ PHE 104 131.493 5.303 2.013 199 H ASP 105 H ASP 105 128.497 3.977 -5.809 200 HA ASP 105 HA ASP 105 130.833 3.561 -7.480 201 1HB ASP 105 2HB ASP 105 128.631 2.057 -7.135 202 2HB ASP 105 1HB ASP 105 128.108 3.003 -8.524 203 H LYS 106 H LYS 106 131.212 4.537 -9.451 204 HA LYS 106 HA LYS 106 129.657 6.984 -9.944 205 1HB LYS 106 2HB LYS 106 132.144 7.129 -9.418 206 2HB LYS 106 1HB LYS 106 132.422 6.390 -10.988 207 1HG LYS 106 2HG LYS 106 132.666 8.743 -11.230 208 2HG LYS 106 1HG LYS 106 131.158 8.274 -12.019 209 1HD LYS 106 2HD LYS 106 130.780 10.284 -10.753 210 2HD LYS 106 1HD LYS 106 129.935 8.950 -9.966 211 1HE LYS 106 2HE LYS 106 132.500 9.001 -8.837 212 2HE LYS 106 1HE LYS 106 131.985 10.686 -8.929 213 1HZ LYS 106 1HZ LYS 106 130.954 8.521 -7.301 214 2HZ LYS 106 2HZ LYS 106 129.779 9.527 -7.982 215 3HZ LYS 106 3HZ LYS 106 130.987 10.184 -6.998 216 H ASN 107 H ASN 107 131.267 4.292 -11.614 217 HA ASN 107 HA ASN 107 129.953 4.983 -14.109 218 1HB ASN 107 2HB ASN 107 131.248 3.121 -15.057 219 2HB ASN 107 1HB ASN 107 132.282 4.239 -14.171 220 1HD2 ASN 107 1HD2 ASN 107 132.034 1.163 -14.822 221 2HD2 ASN 107 2HD2 ASN 107 132.552 0.446 -13.337 222 H ALA 108 H ALA 108 128.759 3.627 -11.476 223 HA ALA 108 HA ALA 108 127.210 2.022 -10.963 224 1HB ALA 108 1HB ALA 108 125.290 1.990 -12.523 225 2HB ALA 108 2HB ALA 108 126.253 2.906 -13.681 226 3HB ALA 108 3HB ALA 108 125.831 3.620 -12.124 227 H ASP 109 H ASP 109 128.951 0.360 -11.143 228 HA ASP 109 HA ASP 109 128.306 -1.550 -13.293 229 1HB ASP 109 2HB ASP 109 130.639 -2.317 -13.230 230 2HB ASP 109 1HB ASP 109 130.536 -0.607 -13.644 231 H GLY 110 H GLY 110 128.147 -1.000 -10.016 232 1HA GLY 110 2HA GLY 110 127.208 -2.535 -8.492 233 2HA GLY 110 1HA GLY 110 127.749 -3.853 -9.520 234 H TYR 111 H TYR 111 130.349 -1.921 -9.378 235 HA TYR 111 HA TYR 111 131.323 -2.893 -6.795 236 1HB TYR 111 2HB TYR 111 132.904 -3.239 -9.349 237 2HB TYR 111 1HB TYR 111 133.337 -3.813 -7.742 238 HD1 TYR 111 HD1 TYR 111 132.355 -4.953 -10.778 239 HD2 TYR 111 HD2 TYR 111 131.162 -5.234 -6.705 240 HE1 TYR 111 HE1 TYR 111 131.252 -7.100 -11.254 241 HE2 TYR 111 HE2 TYR 111 130.057 -7.380 -7.169 242 HH TYR 111 HH TYR 111 130.390 -9.266 -8.994 243 H ILE 112 H ILE 112 132.894 -1.604 -5.850 244 HA ILE 112 HA ILE 112 133.370 0.961 -7.214 245 HB ILE 112 HB ILE 112 133.525 0.399 -4.251 246 1HG1 ILE 112 2HG1 ILE 112 131.401 2.180 -4.979 247 2HG1 ILE 112 1HG1 ILE 112 131.238 0.696 -5.911 248 1HG2 ILE 112 1HG2 ILE 112 134.897 2.246 -4.719 249 2HG2 ILE 112 2HG2 ILE 112 133.367 2.938 -4.180 250 3HG2 ILE 112 3HG2 ILE 112 133.759 2.898 -5.899 251 1HD1 ILE 112 1HD1 ILE 112 130.023 0.187 -4.045 252 2HD1 ILE 112 2HD1 ILE 112 131.070 1.120 -2.974 253 3HD1 ILE 112 3HD1 ILE 112 131.606 -0.443 -3.589 254 H ASP 113 H ASP 113 135.383 1.639 -7.617 255 HA ASP 113 HA ASP 113 137.595 -0.084 -6.729 256 1HB ASP 113 2HB ASP 113 138.832 1.034 -8.670 257 2HB ASP 113 1HB ASP 113 137.544 -0.090 -9.092 258 H LEU 114 H LEU 114 139.772 1.267 -6.815 259 HA LEU 114 HA LEU 114 139.679 3.038 -4.638 260 1HB LEU 114 2HB LEU 114 141.648 1.697 -6.084 261 2HB LEU 114 1HB LEU 114 142.034 3.395 -6.288 262 HG LEU 114 HG LEU 114 141.445 2.511 -3.524 263 1HD1 LEU 114 1HD1 LEU 114 142.826 0.672 -4.533 264 2HD1 LEU 114 2HD1 LEU 114 143.558 1.496 -3.157 265 3HD1 LEU 114 3HD1 LEU 114 144.095 1.868 -4.795 266 1HD2 LEU 114 1HD2 LEU 114 142.211 4.829 -4.474 267 2HD2 LEU 114 2HD2 LEU 114 143.812 4.090 -4.411 268 3HD2 LEU 114 3HD2 LEU 114 142.847 4.232 -2.941 269 H GLU 115 H GLU 115 139.488 3.571 -8.077 270 HA GLU 115 HA GLU 115 140.103 6.343 -8.041 271 1HB GLU 115 2HB GLU 115 138.912 4.443 -10.000 272 2HB GLU 115 1HB GLU 115 138.663 6.162 -10.272 273 1HG GLU 115 2HG GLU 115 140.584 5.937 -11.424 274 2HG GLU 115 1HG GLU 115 141.290 6.194 -9.830 275 H GLU 116 H GLU 116 136.967 4.715 -8.547 276 HA GLU 116 HA GLU 116 135.364 6.973 -8.345 277 1HB GLU 116 2HB GLU 116 134.832 4.071 -7.757 278 2HB GLU 116 1HB GLU 116 133.576 5.287 -7.593 279 1HG GLU 116 2HG GLU 116 133.129 5.017 -9.740 280 2HG GLU 116 1HG GLU 116 134.697 5.737 -10.104 281 H LEU 117 H LEU 117 136.456 4.767 -5.800 282 HA LEU 117 HA LEU 117 134.994 5.817 -3.674 283 1HB LEU 117 2HB LEU 117 136.332 3.714 -3.644 284 2HB LEU 117 1HB LEU 117 137.788 4.686 -3.554 285 HG LEU 117 HG LEU 117 136.993 5.620 -1.395 286 1HD1 LEU 117 1HD1 LEU 117 135.133 4.566 -0.246 287 2HD1 LEU 117 2HD1 LEU 117 134.823 3.542 -1.648 288 3HD1 LEU 117 3HD1 LEU 117 134.592 5.287 -1.763 289 1HD2 LEU 117 1HD2 LEU 117 138.517 3.668 -1.533 290 2HD2 LEU 117 2HD2 LEU 117 137.111 2.608 -1.425 291 3HD2 LEU 117 3HD2 LEU 117 137.516 3.675 -0.080 292 H LYS 118 H LYS 118 137.733 7.105 -5.341 293 HA LYS 118 HA LYS 118 138.396 8.977 -3.228 294 1HB LYS 118 2HB LYS 118 140.106 7.917 -4.758 295 2HB LYS 118 1HB LYS 118 139.467 8.925 -6.048 296 1HG LYS 118 2HG LYS 118 140.246 10.885 -5.077 297 2HG LYS 118 1HG LYS 118 140.418 10.141 -3.486 298 1HD LYS 118 2HD LYS 118 142.360 8.986 -4.112 299 2HD LYS 118 1HD LYS 118 142.049 9.224 -5.833 300 1HE LYS 118 2HE LYS 118 143.763 10.733 -5.357 301 2HE LYS 118 1HE LYS 118 142.305 11.724 -5.338 302 1HZ LYS 118 1HZ LYS 118 144.053 10.947 -3.134 303 2HZ LYS 118 2HZ LYS 118 142.400 11.065 -2.796 304 3HZ LYS 118 3HZ LYS 118 143.236 12.404 -3.405 305 H ILE 119 H ILE 119 136.529 8.896 -6.157 306 HA ILE 119 HA ILE 119 136.389 11.673 -6.652 307 HB ILE 119 HB ILE 119 134.279 9.618 -7.315 308 1HG1 ILE 119 2HG1 ILE 119 136.727 10.451 -8.889 309 2HG1 ILE 119 1HG1 ILE 119 136.477 8.886 -8.126 310 1HG2 ILE 119 1HG2 ILE 119 133.396 11.770 -7.682 311 2HG2 ILE 119 2HG2 ILE 119 133.928 11.205 -9.265 312 3HG2 ILE 119 3HG2 ILE 119 134.911 12.361 -8.367 313 1HD1 ILE 119 1HD1 ILE 119 134.429 8.673 -9.616 314 2HD1 ILE 119 2HD1 ILE 119 136.011 8.551 -10.388 315 3HD1 ILE 119 3HD1 ILE 119 135.083 10.046 -10.509 316 H MET 120 H MET 120 134.049 9.499 -5.063 317 HA MET 120 HA MET 120 132.146 11.338 -4.322 318 1HB MET 120 2HB MET 120 131.530 9.799 -2.521 319 2HB MET 120 1HB MET 120 131.880 8.927 -4.007 320 1HG MET 120 2HG MET 120 133.706 7.911 -3.149 321 2HG MET 120 1HG MET 120 134.122 9.281 -2.122 322 1HE MET 120 1HE MET 120 134.135 6.686 0.371 323 2HE MET 120 2HE MET 120 133.842 8.342 0.901 324 3HE MET 120 3HE MET 120 134.891 8.031 -0.483 325 H LEU 121 H LEU 121 135.308 10.851 -2.957 326 HA LEU 121 HA LEU 121 134.893 12.165 -0.488 327 1HB LEU 121 2HB LEU 121 137.456 11.954 -2.068 328 2HB LEU 121 1HB LEU 121 137.315 12.306 -0.356 329 HG LEU 121 HG LEU 121 136.440 9.707 -1.615 330 1HD1 LEU 121 1HD1 LEU 121 138.466 8.732 -0.935 331 2HD1 LEU 121 2HD1 LEU 121 138.923 10.144 0.015 332 3HD1 LEU 121 3HD1 LEU 121 138.923 10.229 -1.746 333 1HD2 LEU 121 1HD2 LEU 121 136.723 9.023 0.864 334 2HD2 LEU 121 2HD2 LEU 121 135.271 9.898 0.378 335 3HD2 LEU 121 3HD2 LEU 121 136.585 10.752 1.186 336 H GLN 122 H GLN 122 135.793 13.303 -3.693 337 HA GLN 122 HA GLN 122 136.495 15.936 -2.952 338 1HB GLN 122 2HB GLN 122 135.459 14.874 -5.586 339 2HB GLN 122 1HB GLN 122 136.178 16.461 -5.352 340 1HG GLN 122 2HG GLN 122 137.643 13.926 -4.703 341 2HG GLN 122 1HG GLN 122 137.661 14.644 -6.312 342 1HE2 GLN 122 1HE2 GLN 122 139.365 15.847 -6.691 343 2HE2 GLN 122 2HE2 GLN 122 140.243 16.776 -5.528 344 H ALA 123 H ALA 123 133.443 14.374 -3.564 345 HA ALA 123 HA ALA 123 131.922 16.767 -3.896 346 1HB ALA 123 1HB ALA 123 130.095 15.411 -4.155 347 2HB ALA 123 2HB ALA 123 130.658 14.238 -2.965 348 3HB ALA 123 3HB ALA 123 131.388 14.287 -4.569 349 H THR 124 H THR 124 133.127 15.041 -1.165 350 HA THR 124 HA THR 124 131.186 15.992 0.715 351 HB THR 124 HB THR 124 132.506 14.954 2.384 352 HG1 THR 124 HG1 THR 124 134.639 15.129 0.530 353 1HG2 THR 124 1HG2 THR 124 132.885 12.761 1.635 354 2HG2 THR 124 2HG2 THR 124 133.174 13.294 -0.021 355 3HG2 THR 124 3HG2 THR 124 131.551 13.381 0.662 356 H GLY 125 H GLY 125 132.250 17.114 2.783 357 1HA GLY 125 2HA GLY 125 133.503 19.574 1.745 358 2HA GLY 125 1HA GLY 125 132.469 19.495 3.162 359 H GLU 126 H GLU 126 134.458 16.840 3.246 360 HA GLU 126 HA GLU 126 136.276 18.201 5.104 361 1HB GLU 126 2HB GLU 126 135.466 15.304 4.839 362 2HB GLU 126 1HB GLU 126 136.749 15.853 5.911 363 1HG GLU 126 2HG GLU 126 134.097 17.160 6.142 364 2HG GLU 126 1HG GLU 126 134.265 15.512 6.742 365 H THR 127 H THR 127 138.424 16.707 5.269 366 HA THR 127 HA THR 127 139.464 16.478 2.521 367 HB THR 127 HB THR 127 141.617 17.310 3.324 368 HG1 THR 127 HG1 THR 127 141.716 16.784 5.427 369 1HG2 THR 127 1HG2 THR 127 140.204 19.039 2.506 370 2HG2 THR 127 2HG2 THR 127 140.994 19.628 3.969 371 3HG2 THR 127 3HG2 THR 127 139.312 19.104 4.025 372 H ILE 128 H ILE 128 139.734 14.382 2.123 373 HA ILE 128 HA ILE 128 140.794 12.660 4.265 374 HB ILE 128 HB ILE 128 139.534 11.652 1.727 375 1HG1 ILE 128 2HG1 ILE 128 137.919 13.162 2.829 376 2HG1 ILE 128 1HG1 ILE 128 137.398 11.482 2.902 377 1HG2 ILE 128 1HG2 ILE 128 139.662 9.611 2.656 378 2HG2 ILE 128 2HG2 ILE 128 139.247 10.202 4.264 379 3HG2 ILE 128 3HG2 ILE 128 140.900 10.351 3.670 380 1HD1 ILE 128 1HD1 ILE 128 137.391 11.485 5.124 381 2HD1 ILE 128 2HD1 ILE 128 137.511 13.240 5.003 382 3HD1 ILE 128 3HD1 ILE 128 138.968 12.268 5.214 383 H THR 129 H THR 129 142.576 11.355 3.896 384 HA THR 129 HA THR 129 144.282 12.209 1.697 385 HB THR 129 HB THR 129 145.144 12.102 4.038 386 HG1 THR 129 HG1 THR 129 146.471 10.293 2.314 387 1HG2 THR 129 1HG2 THR 129 143.961 9.631 4.175 388 2HG2 THR 129 2HG2 THR 129 145.141 10.287 5.310 389 3HG2 THR 129 3HG2 THR 129 145.673 9.251 3.983 390 H GLU 130 H GLU 130 145.582 10.533 0.545 391 HA GLU 130 HA GLU 130 143.845 8.642 -0.669 392 1HB GLU 130 2HB GLU 130 146.040 9.904 -1.523 393 2HB GLU 130 1HB GLU 130 146.785 8.391 -1.024 394 1HG GLU 130 2HG GLU 130 145.334 7.148 -2.502 395 2HG GLU 130 1HG GLU 130 144.484 8.627 -2.948 396 H ASP 131 H ASP 131 146.351 8.420 1.779 397 HA ASP 131 HA ASP 131 146.725 5.650 1.793 398 1HB ASP 131 2HB ASP 131 146.987 7.736 3.953 399 2HB ASP 131 1HB ASP 131 147.361 6.042 4.244 400 H ASP 132 H ASP 132 144.471 7.647 3.687 401 HA ASP 132 HA ASP 132 143.303 5.613 5.184 402 1HB ASP 132 2HB ASP 132 142.345 8.300 4.253 403 2HB ASP 132 1HB ASP 132 141.245 7.222 5.107 404 H ILE 133 H ILE 133 142.573 6.743 1.927 405 HA ILE 133 HA ILE 133 140.232 5.131 1.620 406 HB ILE 133 HB ILE 133 141.936 6.354 -0.552 407 1HG1 ILE 133 2HG1 ILE 133 141.230 8.068 1.040 408 2HG1 ILE 133 1HG1 ILE 133 140.339 8.238 -0.470 409 1HG2 ILE 133 1HG2 ILE 133 139.068 5.419 -0.525 410 2HG2 ILE 133 2HG2 ILE 133 140.413 4.677 -1.394 411 3HG2 ILE 133 3HG2 ILE 133 139.841 6.281 -1.856 412 1HD1 ILE 133 1HD1 ILE 133 139.365 7.176 2.158 413 2HD1 ILE 133 2HD1 ILE 133 138.490 6.915 0.650 414 3HD1 ILE 133 3HD1 ILE 133 138.768 8.555 1.237 415 H GLU 134 H GLU 134 143.597 4.845 0.498 416 HA GLU 134 HA GLU 134 143.378 2.543 -1.015 417 1HB GLU 134 2HB GLU 134 145.549 3.918 0.433 418 2HB GLU 134 1HB GLU 134 145.832 2.211 0.119 419 1HG GLU 134 2HG GLU 134 145.574 2.533 -2.236 420 2HG GLU 134 1HG GLU 134 145.065 4.205 -1.998 421 H GLU 135 H GLU 135 143.752 2.869 2.484 422 HA GLU 135 HA GLU 135 144.016 0.075 2.978 423 1HB GLU 135 2HB GLU 135 143.730 0.652 5.324 424 2HB GLU 135 1HB GLU 135 144.837 1.779 4.554 425 1HG GLU 135 2HG GLU 135 143.410 3.539 4.750 426 2HG GLU 135 1HG GLU 135 141.971 2.525 4.670 427 H LEU 136 H LEU 136 141.326 2.243 2.590 428 HA LEU 136 HA LEU 136 139.318 0.784 3.876 429 1HB LEU 136 2HB LEU 136 139.431 3.135 2.504 430 2HB LEU 136 1HB LEU 136 138.541 2.131 1.376 431 HG LEU 136 HG LEU 136 137.406 1.747 3.961 432 1HD1 LEU 136 1HD1 LEU 136 138.165 4.545 3.325 433 2HD1 LEU 136 2HD1 LEU 136 138.008 3.738 4.886 434 3HD1 LEU 136 3HD1 LEU 136 136.567 4.254 4.012 435 1HD2 LEU 136 1HD2 LEU 136 135.397 2.533 2.874 436 2HD2 LEU 136 2HD2 LEU 136 136.295 1.490 1.772 437 3HD2 LEU 136 3HD2 LEU 136 136.344 3.240 1.565 438 H MET 137 H MET 137 140.838 0.358 0.761 439 HA MET 137 HA MET 137 138.881 -1.510 -0.211 440 1HB MET 137 2HB MET 137 141.632 -0.742 -1.187 441 2HB MET 137 1HB MET 137 140.615 -1.923 -2.001 442 1HG MET 137 2HG MET 137 139.076 0.423 -1.559 443 2HG MET 137 1HG MET 137 140.621 0.895 -2.265 444 1HE MET 137 1HE MET 137 137.160 0.513 -3.960 445 2HE MET 137 2HE MET 137 137.345 -0.389 -2.458 446 3HE MET 137 3HE MET 137 137.108 -1.249 -3.978 447 H LYS 138 H LYS 138 142.146 -1.721 1.154 448 HA LYS 138 HA LYS 138 142.431 -4.513 0.899 449 1HB LYS 138 2HB LYS 138 144.332 -3.023 1.313 450 2HB LYS 138 1HB LYS 138 143.690 -2.629 2.902 451 1HG LYS 138 2HG LYS 138 143.868 -5.115 3.413 452 2HG LYS 138 1HG LYS 138 144.845 -5.228 1.946 453 1HD LYS 138 2HD LYS 138 146.523 -4.856 3.431 454 2HD LYS 138 1HD LYS 138 146.089 -3.176 3.113 455 1HE LYS 138 2HE LYS 138 145.839 -2.973 5.321 456 2HE LYS 138 1HE LYS 138 144.355 -3.904 5.125 457 1HZ LYS 138 1HZ LYS 138 145.865 -4.788 6.848 458 2HZ LYS 138 2HZ LYS 138 147.020 -5.103 5.652 459 3HZ LYS 138 3HZ LYS 138 145.533 -5.910 5.624 460 H ASP 139 H ASP 139 140.822 -2.516 3.259 461 HA ASP 139 HA ASP 139 140.437 -4.767 5.071 462 1HB ASP 139 2HB ASP 139 140.915 -2.271 5.721 463 2HB ASP 139 1HB ASP 139 139.180 -2.078 5.482 464 H GLY 140 H GLY 140 138.968 -3.737 2.306 465 1HA GLY 140 2HA GLY 140 136.341 -4.719 3.231 466 2HA GLY 140 1HA GLY 140 136.507 -3.430 2.049 467 H ASP 141 H ASP 141 138.945 -5.570 1.427 468 HA ASP 141 HA ASP 141 137.286 -7.046 -0.508 469 1HB ASP 141 2HB ASP 141 139.865 -5.619 -0.802 470 2HB ASP 141 1HB ASP 141 139.738 -7.165 -1.635 471 H LYS 142 H LYS 142 137.034 -9.042 0.221 472 HA LYS 142 HA LYS 142 139.100 -10.342 1.782 473 1HB LYS 142 2HB LYS 142 136.265 -10.951 1.066 474 2HB LYS 142 1HB LYS 142 137.307 -12.273 1.575 475 1HG LYS 142 2HG LYS 142 136.177 -11.515 3.502 476 2HG LYS 142 1HG LYS 142 137.836 -10.930 3.629 477 1HD LYS 142 2HD LYS 142 136.558 -9.081 4.241 478 2HD LYS 142 1HD LYS 142 136.931 -8.777 2.543 479 1HE LYS 142 2HE LYS 142 134.777 -9.240 1.851 480 2HE LYS 142 1HE LYS 142 134.425 -10.231 3.267 481 1HZ LYS 142 1HZ LYS 142 133.233 -8.234 3.527 482 2HZ LYS 142 2HZ LYS 142 134.563 -7.276 3.111 483 3HZ LYS 142 3HZ LYS 142 134.551 -8.112 4.581 484 H ASN 143 H ASN 143 137.702 -10.542 -1.434 485 HA ASN 143 HA ASN 143 139.206 -12.916 -2.116 486 1HB ASN 143 2HB ASN 143 138.252 -12.492 -4.412 487 2HB ASN 143 1HB ASN 143 137.053 -12.717 -3.141 488 1HD2 ASN 143 1HD2 ASN 143 135.652 -11.652 -4.708 489 2HD2 ASN 143 2HD2 ASN 143 135.610 -9.926 -4.748 490 H ASN 144 H ASN 144 139.936 -9.682 -1.847 491 HA ASN 144 HA ASN 144 141.646 -8.369 -2.533 492 1HB ASN 144 2HB ASN 144 142.722 -10.827 -1.996 493 2HB ASN 144 1HB ASN 144 143.285 -10.545 -3.640 494 1HD2 ASN 144 1HD2 ASN 144 142.758 -8.402 -0.863 495 2HD2 ASN 144 2HD2 ASN 144 144.362 -7.759 -0.839 496 H ASP 145 H ASP 145 139.538 -9.222 -4.500 497 HA ASP 145 HA ASP 145 140.722 -9.487 -7.052 498 1HB ASP 145 2HB ASP 145 138.501 -8.895 -7.925 499 2HB ASP 145 1HB ASP 145 138.379 -10.079 -6.628 500 H GLY 146 H GLY 146 139.748 -6.709 -5.122 501 1HA GLY 146 2HA GLY 146 141.204 -4.719 -5.425 502 2HA GLY 146 1HA GLY 146 141.007 -4.963 -7.153 503 H ARG 147 H ARG 147 138.107 -5.669 -5.667 504 HA ARG 147 HA ARG 147 137.158 -2.910 -5.635 505 1HB ARG 147 2HB ARG 147 135.822 -5.035 -7.317 506 2HB ARG 147 1HB ARG 147 135.321 -3.357 -7.151 507 1HG ARG 147 2HG ARG 147 137.825 -2.983 -8.023 508 2HG ARG 147 1HG ARG 147 137.479 -4.543 -8.774 509 1HD ARG 147 2HD ARG 147 135.692 -3.688 -10.007 510 2HD ARG 147 1HD ARG 147 135.536 -2.270 -8.971 511 HE ARG 147 HE ARG 147 138.050 -2.380 -10.342 512 1HH1 ARG 147 1HH1 ARG 147 134.698 -1.447 -10.641 513 2HH1 ARG 147 2HH1 ARG 147 135.008 -0.266 -11.870 514 1HH2 ARG 147 1HH2 ARG 147 138.457 -0.827 -11.957 515 2HH2 ARG 147 2HH2 ARG 147 137.141 0.086 -12.616 516 H ILE 148 H ILE 148 135.034 -2.681 -4.665 517 HA ILE 148 HA ILE 148 134.477 -4.865 -2.770 518 HB ILE 148 HB ILE 148 133.736 -1.950 -2.488 519 1HG1 ILE 148 2HG1 ILE 148 135.974 -3.496 -1.159 520 2HG1 ILE 148 1HG1 ILE 148 136.186 -2.308 -2.441 521 1HG2 ILE 148 1HG2 ILE 148 133.710 -4.162 -0.441 522 2HG2 ILE 148 2HG2 ILE 148 132.286 -3.568 -1.296 523 3HG2 ILE 148 3HG2 ILE 148 133.175 -2.498 -0.212 524 1HD1 ILE 148 1HD1 ILE 148 134.980 -1.705 0.247 525 2HD1 ILE 148 2HD1 ILE 148 135.407 -0.550 -1.015 526 3HD1 ILE 148 3HD1 ILE 148 136.672 -1.445 -0.176 527 H ASP 149 H ASP 149 132.615 -5.912 -2.908 528 HA ASP 149 HA ASP 149 130.520 -4.817 -4.653 529 1HB ASP 149 2HB ASP 149 129.662 -7.166 -4.707 530 2HB ASP 149 1HB ASP 149 131.283 -6.987 -5.371 531 H TYR 150 H TYR 150 128.246 -5.562 -3.992 532 HA TYR 150 HA TYR 150 127.643 -4.384 -1.494 533 1HB TYR 150 2HB TYR 150 126.094 -4.371 -3.419 534 2HB TYR 150 1HB TYR 150 125.871 -6.108 -3.238 535 HD1 TYR 150 HD1 TYR 150 125.998 -3.460 -0.619 536 HD2 TYR 150 HD2 TYR 150 123.633 -6.361 -2.641 537 HE1 TYR 150 HE1 TYR 150 124.157 -3.052 0.961 538 HE2 TYR 150 HE2 TYR 150 121.785 -5.961 -1.068 539 HH TYR 150 HH TYR 150 121.776 -4.983 1.549 540 H ASP 151 H ASP 151 128.471 -7.598 -2.374 541 HA ASP 151 HA ASP 151 127.156 -8.950 -0.246 542 1HB ASP 151 2HB ASP 151 129.056 -9.625 -2.373 543 2HB ASP 151 1HB ASP 151 129.315 -10.538 -0.889 544 H GLU 152 H GLU 152 130.609 -8.174 -0.726 545 HA GLU 152 HA GLU 152 131.321 -8.842 1.933 546 1HB GLU 152 2HB GLU 152 133.489 -7.802 1.395 547 2HB GLU 152 1HB GLU 152 132.963 -8.939 0.161 548 1HG GLU 152 2HG GLU 152 132.015 -6.847 -1.019 549 2HG GLU 152 1HG GLU 152 133.100 -5.961 0.050 550 H PHE 153 H PHE 153 130.404 -5.817 0.380 551 HA PHE 153 HA PHE 153 131.242 -4.068 2.408 552 1HB PHE 153 2HB PHE 153 129.751 -3.873 -0.009 553 2HB PHE 153 1HB PHE 153 128.827 -3.070 1.251 554 HD1 PHE 153 HD1 PHE 153 130.385 -1.994 -1.274 555 HD2 PHE 153 HD2 PHE 153 131.193 -2.116 2.901 556 HE1 PHE 153 HE1 PHE 153 131.816 -0.007 -1.497 557 HE2 PHE 153 HE2 PHE 153 132.627 -0.129 2.686 558 HZ PHE 153 HZ PHE 153 132.939 0.929 0.485 559 H LEU 154 H LEU 154 128.459 -6.143 2.151 560 HA LEU 154 HA LEU 154 126.760 -4.966 4.019 561 1HB LEU 154 2HB LEU 154 126.744 -7.255 2.483 562 2HB LEU 154 1HB LEU 154 126.790 -7.888 4.118 563 HG LEU 154 HG LEU 154 124.503 -7.749 3.444 564 1HD1 LEU 154 1HD1 LEU 154 125.247 -5.525 5.333 565 2HD1 LEU 154 2HD1 LEU 154 124.848 -7.193 5.744 566 3HD1 LEU 154 3HD1 LEU 154 123.605 -6.121 5.099 567 1HD2 LEU 154 1HD2 LEU 154 125.229 -5.745 1.808 568 2HD2 LEU 154 2HD2 LEU 154 124.471 -4.819 3.103 569 3HD2 LEU 154 3HD2 LEU 154 123.557 -6.074 2.263 570 H GLU 155 H GLU 155 129.546 -7.059 4.465 571 HA GLU 155 HA GLU 155 129.110 -7.156 7.347 572 1HB GLU 155 2HB GLU 155 131.074 -8.499 5.499 573 2HB GLU 155 1HB GLU 155 131.256 -8.560 7.248 574 1HG GLU 155 2HG GLU 155 129.055 -9.611 7.435 575 2HG GLU 155 1HG GLU 155 128.889 -9.562 5.681 576 H PHE 156 H PHE 156 131.286 -5.749 4.977 577 HA PHE 156 HA PHE 156 133.203 -4.767 6.825 578 1HB PHE 156 2HB PHE 156 133.682 -5.053 4.423 579 2HB PHE 156 1HB PHE 156 132.535 -3.773 4.045 580 HD1 PHE 156 HD1 PHE 156 133.494 -1.781 3.478 581 HD2 PHE 156 HD2 PHE 156 135.418 -4.226 6.381 582 HE1 PHE 156 HE1 PHE 156 135.288 -0.110 3.690 583 HE2 PHE 156 HE2 PHE 156 137.214 -2.559 6.600 584 HZ PHE 156 HZ PHE 156 137.150 -0.498 5.253 585 H MET 157 H MET 157 130.392 -3.288 5.243 586 HA MET 157 HA MET 157 130.758 -0.780 6.604 587 1HB MET 157 2HB MET 157 129.691 -1.125 4.308 588 2HB MET 157 1HB MET 157 128.263 -1.675 5.172 589 1HG MET 157 2HG MET 157 127.604 0.430 5.289 590 2HG MET 157 1HG MET 157 128.951 0.737 6.382 591 1HE MET 157 1HE MET 157 131.321 0.530 5.211 592 2HE MET 157 2HE MET 157 131.375 2.292 5.268 593 3HE MET 157 3HE MET 157 131.756 1.446 3.768 594 H LYS 158 H LYS 158 129.702 -3.707 7.689 595 HA LYS 158 HA LYS 158 127.644 -2.603 9.461 596 1HB LYS 158 2HB LYS 158 127.093 -4.691 8.295 597 2HB LYS 158 1HB LYS 158 128.510 -5.464 8.990 598 1HG LYS 158 2HG LYS 158 127.365 -6.034 10.793 599 2HG LYS 158 1HG LYS 158 126.927 -4.350 11.090 600 1HD LYS 158 2HD LYS 158 125.469 -5.879 8.985 601 2HD LYS 158 1HD LYS 158 125.078 -6.173 10.680 602 1HE LYS 158 2HE LYS 158 124.003 -4.220 10.880 603 2HE LYS 158 1HE LYS 158 125.265 -3.338 10.020 604 1HZ LYS 158 1HZ LYS 158 124.308 -3.894 7.952 605 2HZ LYS 158 2HZ LYS 158 123.025 -3.379 8.927 606 3HZ LYS 158 3HZ LYS 158 123.259 -5.029 8.641 607 H GLY 159 H GLY 159 130.012 -1.549 10.039 608 1HA GLY 159 2HA GLY 159 130.804 -1.280 12.353 609 2HA GLY 159 1HA GLY 159 130.924 -3.034 12.425 610 H VAL 160 H VAL 160 132.764 -0.374 12.246 611 HA VAL 160 HA VAL 160 134.882 -1.807 10.798 612 HB VAL 160 HB VAL 160 134.863 1.160 10.592 613 1HG1 VAL 160 1HG1 VAL 160 135.408 -0.629 8.302 614 2HG1 VAL 160 2HG1 VAL 160 136.517 -0.731 9.670 615 3HG1 VAL 160 3HG1 VAL 160 136.267 0.810 8.851 616 1HG2 VAL 160 1HG2 VAL 160 133.064 -0.618 8.942 617 2HG2 VAL 160 2HG2 VAL 160 133.464 1.054 8.546 618 3HG2 VAL 160 3HG2 VAL 160 132.565 0.687 10.019 619 H GLU 161 H GLU 161 134.849 -2.096 13.410 620 HA GLU 161 HA GLU 161 136.636 -0.055 14.541 621 1HB GLU 161 2HB GLU 161 136.067 -1.212 16.735 622 2HB GLU 161 1HB GLU 161 134.768 -0.320 15.959 623 1HG GLU 161 2HG GLU 161 133.665 -2.259 15.295 624 2HG GLU 161 1HG GLU 161 135.099 -3.259 15.513 Start of MODEL 13 1 1H MET 81 1HT MET 81 88.072 -9.494 3.206 2 2H MET 81 2HT MET 81 87.838 -11.078 2.587 3 3H MET 81 3HT MET 81 89.006 -10.041 1.876 4 HA MET 81 HA MET 81 89.060 -11.402 4.469 5 1HB MET 81 2HB MET 81 89.938 -12.259 2.147 6 2HB MET 81 1HB MET 81 91.270 -11.157 2.460 7 1HG MET 81 2HG MET 81 90.971 -12.579 4.824 8 2HG MET 81 1HG MET 81 90.739 -13.775 3.551 9 1HE MET 81 1HE MET 81 94.108 -14.492 2.211 10 2HE MET 81 2HE MET 81 92.441 -14.280 1.675 11 3HE MET 81 3HE MET 81 92.790 -15.229 3.120 12 H VAL 82 H VAL 82 90.625 -8.853 2.544 13 HA VAL 82 HA VAL 82 92.103 -7.205 3.124 14 HB VAL 82 HB VAL 82 91.268 -5.750 4.992 15 1HG1 VAL 82 1HG1 VAL 82 88.917 -5.496 3.787 16 2HG1 VAL 82 2HG1 VAL 82 89.687 -6.571 2.621 17 3HG1 VAL 82 3HG1 VAL 82 90.426 -5.017 3.010 18 1HG2 VAL 82 1HG2 VAL 82 89.154 -6.258 6.038 19 2HG2 VAL 82 2HG2 VAL 82 90.285 -7.574 6.347 20 3HG2 VAL 82 3HG2 VAL 82 89.025 -7.763 5.129 21 H ARG 83 H ARG 83 93.563 -9.156 3.733 22 HA ARG 83 HA ARG 83 94.734 -8.506 6.318 23 1HB ARG 83 2HB ARG 83 93.229 -10.916 5.844 24 2HB ARG 83 1HB ARG 83 94.909 -11.320 6.165 25 1HG ARG 83 2HG ARG 83 94.857 -10.388 8.295 26 2HG ARG 83 1HG ARG 83 93.416 -9.432 7.944 27 1HD ARG 83 2HD ARG 83 92.465 -11.931 7.546 28 2HD ARG 83 1HD ARG 83 93.671 -12.239 8.795 29 HE ARG 83 HE ARG 83 92.241 -10.074 9.689 30 1HH1 ARG 83 1HH1 ARG 83 91.495 -13.358 8.772 31 2HH1 ARG 83 2HH1 ARG 83 90.146 -13.483 9.850 32 1HH2 ARG 83 1HH2 ARG 83 90.468 -10.239 11.108 33 2HH2 ARG 83 2HH2 ARG 83 89.562 -11.714 11.177 34 H CYS 84 H CYS 84 95.446 -8.084 3.524 35 HA CYS 84 HA CYS 84 98.179 -8.847 3.663 36 1HB CYS 84 2HB CYS 84 96.328 -10.527 2.088 37 2HB CYS 84 1HB CYS 84 97.795 -10.032 1.248 38 HG CYS 84 HG CYS 84 97.654 -11.972 3.629 39 H MET 85 H MET 85 98.372 -6.591 3.409 40 HA MET 85 HA MET 85 97.725 -5.586 0.716 41 1HB MET 85 2HB MET 85 97.859 -4.228 3.390 42 2HB MET 85 1HB MET 85 98.061 -3.300 1.909 43 1HG MET 85 2HG MET 85 95.887 -3.556 1.282 44 2HG MET 85 1HG MET 85 95.714 -5.100 2.112 45 1HE MET 85 1HE MET 85 96.803 -1.594 2.741 46 2HE MET 85 2HE MET 85 96.088 -1.122 4.283 47 3HE MET 85 3HE MET 85 95.134 -1.022 2.802 48 H LYS 86 H LYS 86 100.078 -4.952 3.323 49 HA LYS 86 HA LYS 86 102.318 -5.448 1.628 50 1HB LYS 86 2HB LYS 86 101.224 -2.780 1.667 51 2HB LYS 86 1HB LYS 86 102.844 -2.775 2.350 52 1HG LYS 86 2HG LYS 86 103.716 -3.833 0.345 53 2HG LYS 86 1HG LYS 86 102.090 -3.901 -0.339 54 1HD LYS 86 2HD LYS 86 102.042 -1.369 -0.052 55 2HD LYS 86 1HD LYS 86 103.779 -1.479 0.232 56 1HE LYS 86 2HE LYS 86 102.836 -2.916 -2.145 57 2HE LYS 86 1HE LYS 86 102.613 -1.170 -2.210 58 1HZ LYS 86 1HZ LYS 86 105.103 -1.288 -1.324 59 2HZ LYS 86 2HZ LYS 86 104.718 -1.259 -2.969 60 3HZ LYS 86 3HZ LYS 86 105.068 -2.728 -2.211 61 H ASP 87 H ASP 87 101.292 -6.216 4.235 62 HA ASP 87 HA ASP 87 103.053 -4.984 6.175 63 1HB ASP 87 2HB ASP 87 100.635 -6.479 6.272 64 2HB ASP 87 1HB ASP 87 101.846 -7.375 7.184 65 H ASP 88 H ASP 88 105.067 -5.523 5.160 66 HA ASP 88 HA ASP 88 105.912 -8.271 5.773 67 1HB ASP 88 2HB ASP 88 106.488 -6.694 3.264 68 2HB ASP 88 1HB ASP 88 107.437 -8.097 3.745 69 H SER 89 H SER 89 107.473 -8.241 7.240 70 HA SER 89 HA SER 89 108.738 -5.979 8.217 71 1HB SER 89 2HB SER 89 108.618 -8.180 9.382 72 2HB SER 89 1HB SER 89 109.844 -8.796 8.275 73 HG SER 89 HG SER 89 111.099 -8.085 9.840 74 H LYS 90 H LYS 90 109.756 -4.635 6.826 75 HA LYS 90 HA LYS 90 111.995 -5.757 5.271 76 1HB LYS 90 2HB LYS 90 109.887 -3.811 4.559 77 2HB LYS 90 1HB LYS 90 111.511 -3.403 4.021 78 1HG LYS 90 2HG LYS 90 111.556 -5.040 2.482 79 2HG LYS 90 1HG LYS 90 110.673 -6.174 3.506 80 1HD LYS 90 2HD LYS 90 108.713 -5.649 2.564 81 2HD LYS 90 1HD LYS 90 109.038 -3.918 2.666 82 1HE LYS 90 2HE LYS 90 108.748 -4.873 0.339 83 2HE LYS 90 1HE LYS 90 110.200 -3.911 0.616 84 1HZ LYS 90 1HZ LYS 90 110.238 -6.851 0.889 85 2HZ LYS 90 2HZ LYS 90 111.536 -5.798 0.637 86 3HZ LYS 90 3HZ LYS 90 110.445 -6.110 -0.617 87 H GLY 91 H GLY 91 113.580 -5.430 6.816 88 1HA GLY 91 2HA GLY 91 113.912 -3.115 8.367 89 2HA GLY 91 1HA GLY 91 115.180 -4.269 7.982 90 H LYS 92 H LYS 92 115.651 -1.521 8.222 91 HA LYS 92 HA LYS 92 116.189 -0.772 5.427 92 1HB LYS 92 2HB LYS 92 115.157 0.769 7.706 93 2HB LYS 92 1HB LYS 92 116.450 1.571 6.826 94 1HG LYS 92 2HG LYS 92 115.090 1.049 4.722 95 2HG LYS 92 1HG LYS 92 113.759 0.713 5.830 96 1HD LYS 92 2HD LYS 92 113.665 2.917 6.580 97 2HD LYS 92 1HD LYS 92 115.300 3.276 6.024 98 1HE LYS 92 2HE LYS 92 114.405 4.150 4.187 99 2HE LYS 92 1HE LYS 92 113.892 2.527 3.732 100 1HZ LYS 92 1HZ LYS 92 111.942 3.167 5.393 101 2HZ LYS 92 2HZ LYS 92 111.883 3.526 3.741 102 3HZ LYS 92 3HZ LYS 92 112.338 4.721 4.851 103 H THR 93 H THR 93 117.813 -2.447 7.126 104 HA THR 93 HA THR 93 120.206 -0.752 7.399 105 HB THR 93 HB THR 93 119.301 -1.776 9.501 106 HG1 THR 93 HG1 THR 93 121.355 -2.404 10.209 107 1HG2 THR 93 1HG2 THR 93 120.370 -4.363 8.420 108 2HG2 THR 93 2HG2 THR 93 118.655 -3.973 8.544 109 3HG2 THR 93 3HG2 THR 93 119.646 -4.072 10.001 110 H GLU 94 H GLU 94 119.189 -4.074 6.640 111 HA GLU 94 HA GLU 94 121.700 -4.626 5.308 112 1HB GLU 94 2HB GLU 94 119.240 -6.245 5.907 113 2HB GLU 94 1HB GLU 94 120.474 -6.847 4.808 114 1HG GLU 94 2HG GLU 94 122.026 -7.112 6.469 115 2HG GLU 94 1HG GLU 94 121.299 -5.874 7.494 116 H GLU 95 H GLU 95 118.404 -3.867 4.431 117 HA GLU 95 HA GLU 95 118.919 -4.408 1.612 118 1HB GLU 95 2HB GLU 95 116.517 -3.878 3.269 119 2HB GLU 95 1HB GLU 95 116.457 -3.305 1.608 120 1HG GLU 95 2HG GLU 95 117.405 -6.068 1.983 121 2HG GLU 95 1HG GLU 95 115.713 -5.766 2.376 122 H GLU 96 H GLU 96 118.924 -1.785 3.831 123 HA GLU 96 HA GLU 96 118.586 0.291 1.871 124 1HB GLU 96 2HB GLU 96 119.223 0.176 4.788 125 2HB GLU 96 1HB GLU 96 119.549 1.661 3.907 126 1HG GLU 96 2HG GLU 96 116.873 0.297 3.917 127 2HG GLU 96 1HG GLU 96 117.335 1.552 5.066 128 H LEU 97 H LEU 97 121.223 -1.525 3.200 129 HA LEU 97 HA LEU 97 123.375 0.168 2.786 130 1HB LEU 97 2HB LEU 97 123.030 -2.795 2.774 131 2HB LEU 97 1HB LEU 97 124.556 -2.129 2.225 132 HG LEU 97 HG LEU 97 123.475 -1.228 4.856 133 1HD1 LEU 97 1HD1 LEU 97 125.217 -3.610 4.883 134 2HD1 LEU 97 2HD1 LEU 97 123.531 -3.873 4.445 135 3HD1 LEU 97 3HD1 LEU 97 123.934 -3.126 5.990 136 1HD2 LEU 97 1HD2 LEU 97 126.118 -1.461 3.498 137 2HD2 LEU 97 2HD2 LEU 97 126.051 -1.483 5.259 138 3HD2 LEU 97 3HD2 LEU 97 125.415 -0.098 4.372 139 H SER 98 H SER 98 121.386 -1.450 0.465 140 HA SER 98 HA SER 98 123.197 -1.454 -1.712 141 1HB SER 98 2HB SER 98 120.266 -1.813 -1.360 142 2HB SER 98 1HB SER 98 120.829 -1.374 -2.973 143 HG SER 98 HG SER 98 122.376 -3.184 -2.648 144 H ASP 99 H ASP 99 120.777 0.861 -0.576 145 HA ASP 99 HA ASP 99 120.907 2.661 -2.715 146 1HB ASP 99 2HB ASP 99 119.404 2.528 -0.490 147 2HB ASP 99 1HB ASP 99 120.539 3.778 0.011 148 H LEU 100 H LEU 100 122.857 2.387 0.211 149 HA LEU 100 HA LEU 100 124.372 4.762 -0.299 150 1HB LEU 100 2HB LEU 100 124.741 2.444 1.587 151 2HB LEU 100 1HB LEU 100 125.892 3.762 1.485 152 HG LEU 100 HG LEU 100 123.177 4.735 1.847 153 1HD1 LEU 100 1HD1 LEU 100 124.241 2.668 3.724 154 2HD1 LEU 100 2HD1 LEU 100 122.600 2.898 3.120 155 3HD1 LEU 100 3HD1 LEU 100 123.255 3.998 4.333 156 1HD2 LEU 100 1HD2 LEU 100 125.551 5.036 3.665 157 2HD2 LEU 100 2HD2 LEU 100 124.196 6.141 3.438 158 3HD2 LEU 100 3HD2 LEU 100 125.390 5.935 2.156 159 H PHE 101 H PHE 101 124.679 1.373 -1.083 160 HA PHE 101 HA PHE 101 127.386 1.248 -1.732 161 1HB PHE 101 2HB PHE 101 125.877 -0.715 -1.588 162 2HB PHE 101 1HB PHE 101 125.116 -0.215 -3.095 163 HD1 PHE 101 HD1 PHE 101 125.643 -1.891 -4.606 164 HD2 PHE 101 HD2 PHE 101 128.717 -0.240 -2.171 165 HE1 PHE 101 HE1 PHE 101 127.326 -3.160 -5.876 166 HE2 PHE 101 HE2 PHE 101 130.405 -1.505 -3.435 167 HZ PHE 101 HZ PHE 101 129.710 -2.967 -5.291 168 H ARG 102 H ARG 102 124.615 1.996 -3.849 169 HA ARG 102 HA ARG 102 126.041 2.398 -6.205 170 1HB ARG 102 2HB ARG 102 123.503 3.741 -5.262 171 2HB ARG 102 1HB ARG 102 124.105 3.789 -6.912 172 1HG ARG 102 2HG ARG 102 123.559 1.605 -7.324 173 2HG ARG 102 1HG ARG 102 123.683 1.141 -5.626 174 1HD ARG 102 2HD ARG 102 121.440 1.181 -5.672 175 2HD ARG 102 1HD ARG 102 121.634 2.930 -5.551 176 HE ARG 102 HE ARG 102 121.680 1.996 -8.256 177 1HH1 ARG 102 1HH1 ARG 102 119.589 2.891 -5.610 178 2HH1 ARG 102 2HH1 ARG 102 118.259 3.306 -6.637 179 1HH2 ARG 102 1HH2 ARG 102 119.931 2.539 -9.609 180 2HH2 ARG 102 2HH2 ARG 102 118.452 3.106 -8.908 181 H MET 103 H MET 103 125.281 4.657 -3.592 182 HA MET 103 HA MET 103 126.173 7.020 -4.743 183 1HB MET 103 2HB MET 103 126.310 6.121 -1.861 184 2HB MET 103 1HB MET 103 126.607 7.770 -2.394 185 1HG MET 103 2HG MET 103 124.159 7.101 -3.521 186 2HG MET 103 1HG MET 103 124.112 6.405 -1.902 187 1HE MET 103 1HE MET 103 122.043 9.238 -1.006 188 2HE MET 103 2HE MET 103 123.015 8.347 0.164 189 3HE MET 103 3HE MET 103 122.313 7.508 -1.220 190 H PHE 104 H PHE 104 127.979 4.322 -3.510 191 HA PHE 104 HA PHE 104 130.485 5.765 -3.424 192 1HB PHE 104 2HB PHE 104 129.495 3.180 -2.530 193 2HB PHE 104 1HB PHE 104 131.062 3.040 -3.322 194 HD1 PHE 104 HD1 PHE 104 129.304 5.066 -0.738 195 HD2 PHE 104 HD2 PHE 104 132.977 3.399 -2.094 196 HE1 PHE 104 HE1 PHE 104 130.407 5.830 1.323 197 HE2 PHE 104 HE2 PHE 104 134.088 4.161 -0.034 198 HZ PHE 104 HZ PHE 104 132.802 5.378 1.678 199 H ASP 105 H ASP 105 128.686 3.868 -5.691 200 HA ASP 105 HA ASP 105 130.998 3.473 -7.422 201 1HB ASP 105 2HB ASP 105 128.837 1.899 -6.961 202 2HB ASP 105 1HB ASP 105 128.302 2.755 -8.406 203 H LYS 106 H LYS 106 131.134 4.315 -9.532 204 HA LYS 106 HA LYS 106 129.441 6.683 -9.994 205 1HB LYS 106 2HB LYS 106 132.324 6.218 -10.772 206 2HB LYS 106 1HB LYS 106 131.375 7.623 -11.237 207 1HG LYS 106 2HG LYS 106 131.681 6.918 -8.353 208 2HG LYS 106 1HG LYS 106 132.977 7.762 -9.206 209 1HD LYS 106 2HD LYS 106 131.878 9.696 -9.083 210 2HD LYS 106 1HD LYS 106 130.429 8.976 -9.787 211 1HE LYS 106 2HE LYS 106 130.982 8.289 -6.971 212 2HE LYS 106 1HE LYS 106 130.550 9.969 -7.284 213 1HZ LYS 106 1HZ LYS 106 128.587 9.074 -8.531 214 2HZ LYS 106 2HZ LYS 106 128.555 8.816 -6.859 215 3HZ LYS 106 3HZ LYS 106 128.959 7.548 -7.902 216 H ASN 107 H ASN 107 131.248 4.084 -11.606 217 HA ASN 107 HA ASN 107 130.036 4.636 -14.157 218 1HB ASN 107 2HB ASN 107 131.224 2.527 -14.846 219 2HB ASN 107 1HB ASN 107 132.268 3.786 -14.191 220 1HD2 ASN 107 1HD2 ASN 107 132.363 0.755 -14.344 221 2HD2 ASN 107 2HD2 ASN 107 132.772 0.273 -12.735 222 H ALA 108 H ALA 108 128.778 3.275 -11.450 223 HA ALA 108 HA ALA 108 127.132 1.761 -10.985 224 1HB ALA 108 1HB ALA 108 125.275 1.824 -12.779 225 2HB ALA 108 2HB ALA 108 126.282 3.052 -13.546 226 3HB ALA 108 3HB ALA 108 125.674 3.306 -11.911 227 H ASP 109 H ASP 109 128.825 0.042 -11.292 228 HA ASP 109 HA ASP 109 128.012 -1.771 -13.468 229 1HB ASP 109 2HB ASP 109 130.304 -2.649 -13.512 230 2HB ASP 109 1HB ASP 109 130.281 -0.922 -13.858 231 H GLY 110 H GLY 110 128.867 -1.398 -10.103 232 1HA GLY 110 2HA GLY 110 127.559 -2.903 -8.606 233 2HA GLY 110 1HA GLY 110 128.089 -4.214 -9.648 234 H TYR 111 H TYR 111 130.667 -2.235 -9.545 235 HA TYR 111 HA TYR 111 131.715 -3.257 -7.006 236 1HB TYR 111 2HB TYR 111 133.021 -3.593 -9.712 237 2HB TYR 111 1HB TYR 111 133.855 -3.846 -8.183 238 HD1 TYR 111 HD1 TYR 111 133.816 -5.944 -7.176 239 HD2 TYR 111 HD2 TYR 111 130.890 -5.007 -10.120 240 HE1 TYR 111 HE1 TYR 111 133.026 -8.273 -7.124 241 HE2 TYR 111 HE2 TYR 111 130.093 -7.333 -10.078 242 HH TYR 111 HH TYR 111 130.936 -9.521 -7.661 243 H ILE 112 H ILE 112 133.361 -1.998 -6.089 244 HA ILE 112 HA ILE 112 133.642 0.669 -7.302 245 HB ILE 112 HB ILE 112 134.077 -0.060 -4.406 246 1HG1 ILE 112 2HG1 ILE 112 131.687 1.426 -5.465 247 2HG1 ILE 112 1HG1 ILE 112 131.689 -0.333 -5.387 248 1HG2 ILE 112 1HG2 ILE 112 134.981 2.111 -5.740 249 2HG2 ILE 112 2HG2 ILE 112 134.578 2.100 -4.025 250 3HG2 ILE 112 3HG2 ILE 112 133.405 2.689 -5.200 251 1HD1 ILE 112 1HD1 ILE 112 132.215 1.444 -3.022 252 2HD1 ILE 112 2HD1 ILE 112 131.934 -0.298 -3.021 253 3HD1 ILE 112 3HD1 ILE 112 130.627 0.807 -3.447 254 H ASP 113 H ASP 113 135.604 1.497 -7.740 255 HA ASP 113 HA ASP 113 137.933 -0.207 -7.166 256 1HB ASP 113 2HB ASP 113 139.006 0.982 -9.087 257 2HB ASP 113 1HB ASP 113 137.578 0.056 -9.538 258 H LEU 114 H LEU 114 140.046 1.236 -7.249 259 HA LEU 114 HA LEU 114 140.003 2.830 -4.930 260 1HB LEU 114 2HB LEU 114 141.991 2.076 -6.976 261 2HB LEU 114 1HB LEU 114 142.320 3.575 -6.127 262 HG LEU 114 HG LEU 114 141.697 1.841 -4.074 263 1HD1 LEU 114 1HD1 LEU 114 143.376 0.354 -6.087 264 2HD1 LEU 114 2HD1 LEU 114 141.720 -0.051 -5.638 265 3HD1 LEU 114 3HD1 LEU 114 143.011 -0.163 -4.442 266 1HD2 LEU 114 1HD2 LEU 114 143.691 3.530 -4.677 267 2HD2 LEU 114 2HD2 LEU 114 144.534 1.992 -4.878 268 3HD2 LEU 114 3HD2 LEU 114 143.765 2.382 -3.339 269 H GLU 115 H GLU 115 139.604 3.604 -8.303 270 HA GLU 115 HA GLU 115 140.163 6.366 -8.162 271 1HB GLU 115 2HB GLU 115 138.813 4.550 -10.076 272 2HB GLU 115 1HB GLU 115 138.403 6.256 -10.197 273 1HG GLU 115 2HG GLU 115 140.886 6.710 -10.297 274 2HG GLU 115 1HG GLU 115 141.097 4.971 -10.503 275 H GLU 116 H GLU 116 137.016 4.688 -8.245 276 HA GLU 116 HA GLU 116 135.389 6.889 -7.825 277 1HB GLU 116 2HB GLU 116 135.118 3.966 -7.314 278 2HB GLU 116 1HB GLU 116 133.919 5.037 -6.604 279 1HG GLU 116 2HG GLU 116 132.839 4.833 -8.535 280 2HG GLU 116 1HG GLU 116 134.049 5.940 -9.181 281 H LEU 117 H LEU 117 137.043 4.859 -5.461 282 HA LEU 117 HA LEU 117 135.884 5.794 -3.123 283 1HB LEU 117 2HB LEU 117 138.734 4.943 -3.617 284 2HB LEU 117 1HB LEU 117 138.036 5.181 -2.026 285 HG LEU 117 HG LEU 117 136.885 3.222 -3.994 286 1HD1 LEU 117 1HD1 LEU 117 138.673 1.933 -3.737 287 2HD1 LEU 117 2HD1 LEU 117 138.257 1.801 -2.029 288 3HD1 LEU 117 3HD1 LEU 117 139.382 3.047 -2.569 289 1HD2 LEU 117 1HD2 LEU 117 135.290 3.369 -2.401 290 2HD2 LEU 117 2HD2 LEU 117 136.411 3.980 -1.182 291 3HD2 LEU 117 3HD2 LEU 117 136.360 2.256 -1.548 292 H LYS 118 H LYS 118 138.227 7.322 -5.199 293 HA LYS 118 HA LYS 118 138.806 9.406 -3.258 294 1HB LYS 118 2HB LYS 118 140.509 8.391 -4.870 295 2HB LYS 118 1HB LYS 118 139.714 9.329 -6.129 296 1HG LYS 118 2HG LYS 118 140.239 11.389 -4.973 297 2HG LYS 118 1HG LYS 118 140.956 10.482 -3.640 298 1HD LYS 118 2HD LYS 118 142.882 10.808 -4.752 299 2HD LYS 118 1HD LYS 118 142.321 9.472 -5.759 300 1HE LYS 118 2HE LYS 118 141.448 12.239 -6.430 301 2HE LYS 118 1HE LYS 118 143.098 11.758 -6.819 302 1HZ LYS 118 1HZ LYS 118 140.781 10.110 -7.631 303 2HZ LYS 118 2HZ LYS 118 142.352 10.102 -8.258 304 3HZ LYS 118 3HZ LYS 118 141.320 11.403 -8.582 305 H ILE 119 H ILE 119 136.363 8.824 -5.451 306 HA ILE 119 HA ILE 119 136.030 11.599 -6.265 307 HB ILE 119 HB ILE 119 134.216 9.255 -6.843 308 1HG1 ILE 119 2HG1 ILE 119 136.500 10.408 -8.460 309 2HG1 ILE 119 1HG1 ILE 119 136.433 8.804 -7.738 310 1HG2 ILE 119 1HG2 ILE 119 134.414 12.043 -7.956 311 2HG2 ILE 119 2HG2 ILE 119 133.032 11.276 -7.174 312 3HG2 ILE 119 3HG2 ILE 119 133.548 10.742 -8.774 313 1HD1 ILE 119 1HD1 ILE 119 134.191 9.305 -9.504 314 2HD1 ILE 119 2HD1 ILE 119 135.342 7.970 -9.480 315 3HD1 ILE 119 3HD1 ILE 119 135.747 9.467 -10.316 316 H MET 120 H MET 120 133.766 9.201 -4.880 317 HA MET 120 HA MET 120 131.950 11.085 -3.920 318 1HB MET 120 2HB MET 120 130.817 9.326 -2.949 319 2HB MET 120 1HB MET 120 131.761 8.490 -4.171 320 1HG MET 120 2HG MET 120 132.400 8.682 -1.237 321 2HG MET 120 1HG MET 120 131.794 7.267 -2.094 322 1HE MET 120 1HE MET 120 134.818 8.222 -0.347 323 2HE MET 120 2HE MET 120 135.668 6.805 -0.965 324 3HE MET 120 3HE MET 120 134.010 6.655 -0.382 325 H LEU 121 H LEU 121 135.009 10.136 -2.673 326 HA LEU 121 HA LEU 121 134.585 10.823 0.050 327 1HB LEU 121 2HB LEU 121 136.423 9.394 -0.538 328 2HB LEU 121 1HB LEU 121 137.088 10.603 -1.618 329 HG LEU 121 HG LEU 121 136.812 11.407 1.216 330 1HD1 LEU 121 1HD1 LEU 121 138.290 9.992 2.138 331 2HD1 LEU 121 2HD1 LEU 121 139.262 9.883 0.670 332 3HD1 LEU 121 3HD1 LEU 121 137.797 8.914 0.832 333 1HD2 LEU 121 1HD2 LEU 121 138.519 12.818 0.716 334 2HD2 LEU 121 2HD2 LEU 121 137.899 12.573 -0.917 335 3HD2 LEU 121 3HD2 LEU 121 139.305 11.664 -0.362 336 H GLN 122 H GLN 122 135.414 12.614 -2.823 337 HA GLN 122 HA GLN 122 136.349 14.962 -1.528 338 1HB GLN 122 2HB GLN 122 135.301 14.421 -4.301 339 2HB GLN 122 1HB GLN 122 135.809 16.025 -3.789 340 1HG GLN 122 2HG GLN 122 137.945 14.499 -3.053 341 2HG GLN 122 1HG GLN 122 137.400 13.687 -4.522 342 1HE2 GLN 122 1HE2 GLN 122 138.436 14.361 -6.245 343 2HE2 GLN 122 2HE2 GLN 122 138.984 15.971 -6.550 344 H ALA 123 H ALA 123 133.197 13.727 -2.325 345 HA ALA 123 HA ALA 123 131.812 16.216 -2.047 346 1HB ALA 123 1HB ALA 123 130.935 14.379 -3.414 347 2HB ALA 123 2HB ALA 123 129.788 14.885 -2.173 348 3HB ALA 123 3HB ALA 123 130.724 13.406 -1.957 349 H THR 124 H THR 124 133.239 14.160 0.197 350 HA THR 124 HA THR 124 131.358 14.222 2.298 351 HB THR 124 HB THR 124 133.212 13.582 3.741 352 HG1 THR 124 HG1 THR 124 135.314 13.651 3.014 353 1HG2 THR 124 1HG2 THR 124 132.823 11.595 2.810 354 2HG2 THR 124 2HG2 THR 124 134.331 11.884 1.943 355 3HG2 THR 124 3HG2 THR 124 132.787 12.256 1.176 356 H GLY 125 H GLY 125 132.413 15.250 4.513 357 1HA GLY 125 2HA GLY 125 132.433 18.135 3.940 358 2HA GLY 125 1HA GLY 125 131.935 17.403 5.456 359 H GLU 126 H GLU 126 134.444 15.611 5.093 360 HA GLU 126 HA GLU 126 136.283 17.548 6.316 361 1HB GLU 126 2HB GLU 126 137.428 15.404 7.149 362 2HB GLU 126 1HB GLU 126 135.889 15.845 7.876 363 1HG GLU 126 2HG GLU 126 134.730 14.195 6.640 364 2HG GLU 126 1HG GLU 126 136.124 13.898 5.603 365 H THR 127 H THR 127 138.686 16.477 6.091 366 HA THR 127 HA THR 127 139.108 16.267 3.185 367 HB THR 127 HB THR 127 141.559 16.911 4.139 368 HG1 THR 127 HG1 THR 127 139.738 18.300 5.806 369 1HG2 THR 127 1HG2 THR 127 140.331 18.114 2.371 370 2HG2 THR 127 2HG2 THR 127 141.170 19.185 3.493 371 3HG2 THR 127 3HG2 THR 127 139.425 18.965 3.621 372 H ILE 128 H ILE 128 139.989 14.472 2.382 373 HA ILE 128 HA ILE 128 141.458 12.681 4.192 374 HB ILE 128 HB ILE 128 139.376 11.784 2.193 375 1HG1 ILE 128 2HG1 ILE 128 138.529 10.826 4.566 376 2HG1 ILE 128 1HG1 ILE 128 139.321 12.299 5.114 377 1HG2 ILE 128 1HG2 ILE 128 141.394 10.334 3.836 378 2HG2 ILE 128 2HG2 ILE 128 140.861 10.037 2.182 379 3HG2 ILE 128 3HG2 ILE 128 139.831 9.576 3.537 380 1HD1 ILE 128 1HD1 ILE 128 137.361 12.388 2.864 381 2HD1 ILE 128 2HD1 ILE 128 137.845 13.665 3.980 382 3HD1 ILE 128 3HD1 ILE 128 136.811 12.350 4.538 383 H THR 129 H THR 129 143.309 11.911 3.385 384 HA THR 129 HA THR 129 144.120 12.748 0.736 385 HB THR 129 HB THR 129 145.648 12.950 2.669 386 HG1 THR 129 HG1 THR 129 146.717 11.059 0.867 387 1HG2 THR 129 1HG2 THR 129 146.245 11.293 4.024 388 2HG2 THR 129 2HG2 THR 129 146.461 10.161 2.692 389 3HG2 THR 129 3HG2 THR 129 144.855 10.427 3.369 390 H GLU 130 H GLU 130 145.416 11.115 -0.599 391 HA GLU 130 HA GLU 130 143.690 9.043 -1.406 392 1HB GLU 130 2HB GLU 130 145.348 10.184 -2.874 393 2HB GLU 130 1HB GLU 130 146.635 9.334 -2.027 394 1HG GLU 130 2HG GLU 130 145.209 7.222 -2.713 395 2HG GLU 130 1HG GLU 130 144.646 8.314 -3.977 396 H ASP 131 H ASP 131 146.192 9.158 0.973 397 HA ASP 131 HA ASP 131 146.912 6.443 1.063 398 1HB ASP 131 2HB ASP 131 147.786 8.657 2.335 399 2HB ASP 131 1HB ASP 131 146.831 7.933 3.624 400 H ASP 132 H ASP 132 144.600 8.236 3.101 401 HA ASP 132 HA ASP 132 143.628 6.089 4.563 402 1HB ASP 132 2HB ASP 132 142.662 8.800 3.890 403 2HB ASP 132 1HB ASP 132 141.418 7.659 4.392 404 H ILE 133 H ILE 133 142.783 7.169 1.336 405 HA ILE 133 HA ILE 133 140.430 5.650 1.014 406 HB ILE 133 HB ILE 133 142.375 6.452 -1.153 407 1HG1 ILE 133 2HG1 ILE 133 140.040 7.972 0.030 408 2HG1 ILE 133 1HG1 ILE 133 141.741 8.397 0.189 409 1HG2 ILE 133 1HG2 ILE 133 140.129 4.859 -1.308 410 2HG2 ILE 133 2HG2 ILE 133 140.889 5.720 -2.646 411 3HG2 ILE 133 3HG2 ILE 133 139.536 6.452 -1.782 412 1HD1 ILE 133 1HD1 ILE 133 141.778 9.416 -1.789 413 2HD1 ILE 133 2HD1 ILE 133 140.019 9.380 -1.683 414 3HD1 ILE 133 3HD1 ILE 133 140.874 8.122 -2.576 415 H GLU 134 H GLU 134 143.833 4.913 0.397 416 HA GLU 134 HA GLU 134 143.472 2.463 -0.913 417 1HB GLU 134 2HB GLU 134 145.642 4.004 -0.008 418 2HB GLU 134 1HB GLU 134 145.830 2.431 0.752 419 1HG GLU 134 2HG GLU 134 145.146 1.979 -1.949 420 2HG GLU 134 1HG GLU 134 146.403 3.215 -1.922 421 H GLU 135 H GLU 135 143.921 3.187 2.535 422 HA GLU 135 HA GLU 135 143.927 0.555 3.475 423 1HB GLU 135 2HB GLU 135 143.480 3.232 4.641 424 2HB GLU 135 1HB GLU 135 142.796 1.890 5.547 425 1HG GLU 135 2HG GLU 135 145.352 1.040 4.911 426 2HG GLU 135 1HG GLU 135 145.544 2.751 5.294 427 H LEU 136 H LEU 136 141.305 2.654 2.531 428 HA LEU 136 HA LEU 136 139.166 1.351 3.771 429 1HB LEU 136 2HB LEU 136 139.457 3.504 2.094 430 2HB LEU 136 1HB LEU 136 138.599 2.360 1.079 431 HG LEU 136 HG LEU 136 137.594 2.941 3.839 432 1HD1 LEU 136 1HD1 LEU 136 136.189 4.727 2.888 433 2HD1 LEU 136 2HD1 LEU 136 137.103 4.619 1.384 434 3HD1 LEU 136 3HD1 LEU 136 137.906 5.131 2.868 435 1HD2 LEU 136 1HD2 LEU 136 136.693 1.084 2.404 436 2HD2 LEU 136 2HD2 LEU 136 136.116 2.323 1.291 437 3HD2 LEU 136 3HD2 LEU 136 135.501 2.266 2.943 438 H MET 137 H MET 137 140.945 0.588 0.855 439 HA MET 137 HA MET 137 139.087 -1.400 -0.055 440 1HB MET 137 2HB MET 137 141.836 -0.534 -0.881 441 2HB MET 137 1HB MET 137 141.159 -2.031 -1.512 442 1HG MET 137 2HG MET 137 139.304 0.188 -1.710 443 2HG MET 137 1HG MET 137 140.820 0.499 -2.554 444 1HE MET 137 1HE MET 137 137.934 0.146 -4.411 445 2HE MET 137 2HE MET 137 137.533 -0.415 -2.788 446 3HE MET 137 3HE MET 137 137.323 -1.491 -4.170 447 H LYS 138 H LYS 138 142.198 -1.431 1.636 448 HA LYS 138 HA LYS 138 142.531 -4.222 1.705 449 1HB LYS 138 2HB LYS 138 143.770 -1.888 2.923 450 2HB LYS 138 1HB LYS 138 143.730 -3.258 4.026 451 1HG LYS 138 2HG LYS 138 144.813 -4.641 2.290 452 2HG LYS 138 1HG LYS 138 144.928 -3.209 1.265 453 1HD LYS 138 2HD LYS 138 146.049 -2.248 3.509 454 2HD LYS 138 1HD LYS 138 146.473 -3.954 3.672 455 1HE LYS 138 2HE LYS 138 147.645 -3.958 1.622 456 2HE LYS 138 1HE LYS 138 146.964 -2.404 1.144 457 1HZ LYS 138 1HZ LYS 138 148.276 -1.288 2.737 458 2HZ LYS 138 2HZ LYS 138 149.322 -2.359 1.950 459 3HZ LYS 138 3HZ LYS 138 148.741 -2.728 3.494 460 H ASP 139 H ASP 139 140.533 -2.091 3.575 461 HA ASP 139 HA ASP 139 139.986 -4.201 5.531 462 1HB ASP 139 2HB ASP 139 140.404 -1.575 5.954 463 2HB ASP 139 1HB ASP 139 138.651 -1.567 5.779 464 H GLY 140 H GLY 140 138.810 -3.353 2.578 465 1HA GLY 140 2HA GLY 140 136.076 -4.170 3.334 466 2HA GLY 140 1HA GLY 140 136.397 -2.998 2.066 467 H ASP 141 H ASP 141 138.742 -4.585 1.115 468 HA ASP 141 HA ASP 141 137.222 -6.390 -0.575 469 1HB ASP 141 2HB ASP 141 139.672 -4.875 -0.823 470 2HB ASP 141 1HB ASP 141 139.939 -6.557 -1.269 471 H LYS 142 H LYS 142 136.745 -8.201 0.548 472 HA LYS 142 HA LYS 142 138.765 -9.561 2.112 473 1HB LYS 142 2HB LYS 142 135.851 -10.025 1.565 474 2HB LYS 142 1HB LYS 142 136.831 -11.281 2.308 475 1HG LYS 142 2HG LYS 142 135.616 -9.925 3.954 476 2HG LYS 142 1HG LYS 142 137.366 -9.830 4.157 477 1HD LYS 142 2HD LYS 142 136.148 -7.781 2.417 478 2HD LYS 142 1HD LYS 142 135.745 -7.681 4.131 479 1HE LYS 142 2HE LYS 142 138.547 -7.831 3.027 480 2HE LYS 142 1HE LYS 142 137.735 -6.341 3.506 481 1HZ LYS 142 1HZ LYS 142 139.275 -7.803 5.130 482 2HZ LYS 142 2HZ LYS 142 137.752 -8.431 5.512 483 3HZ LYS 142 3HZ LYS 142 138.046 -6.774 5.671 484 H ASN 143 H ASN 143 137.238 -9.847 -1.017 485 HA ASN 143 HA ASN 143 138.352 -12.467 -1.528 486 1HB ASN 143 2HB ASN 143 137.408 -12.079 -3.838 487 2HB ASN 143 1HB ASN 143 136.228 -12.034 -2.533 488 1HD2 ASN 143 1HD2 ASN 143 135.296 -10.945 -4.647 489 2HD2 ASN 143 2HD2 ASN 143 135.366 -9.219 -4.627 490 H ASN 144 H ASN 144 139.538 -9.349 -1.563 491 HA ASN 144 HA ASN 144 141.413 -8.371 -2.371 492 1HB ASN 144 2HB ASN 144 142.064 -11.272 -2.381 493 2HB ASN 144 1HB ASN 144 143.160 -10.195 -3.242 494 1HD2 ASN 144 1HD2 ASN 144 143.678 -11.750 -0.875 495 2HD2 ASN 144 2HD2 ASN 144 144.118 -10.633 0.367 496 H ASP 145 H ASP 145 139.149 -8.993 -4.228 497 HA ASP 145 HA ASP 145 140.360 -9.546 -6.771 498 1HB ASP 145 2HB ASP 145 138.136 -9.102 -7.692 499 2HB ASP 145 1HB ASP 145 138.035 -10.184 -6.306 500 H GLY 146 H GLY 146 140.456 -6.860 -4.841 501 1HA GLY 146 2HA GLY 146 141.487 -4.837 -5.394 502 2HA GLY 146 1HA GLY 146 141.230 -5.196 -7.095 503 H ARG 147 H ARG 147 138.306 -5.805 -5.942 504 HA ARG 147 HA ARG 147 137.434 -3.001 -5.868 505 1HB ARG 147 2HB ARG 147 136.071 -5.153 -7.494 506 2HB ARG 147 1HB ARG 147 135.609 -3.459 -7.392 507 1HG ARG 147 2HG ARG 147 138.365 -3.840 -8.250 508 2HG ARG 147 1HG ARG 147 137.184 -4.581 -9.332 509 1HD ARG 147 2HD ARG 147 135.985 -2.450 -9.473 510 2HD ARG 147 1HD ARG 147 137.171 -1.713 -8.396 511 HE ARG 147 HE ARG 147 138.623 -1.546 -10.159 512 1HH1 ARG 147 1HH1 ARG 147 136.030 -3.714 -11.028 513 2HH1 ARG 147 2HH1 ARG 147 136.510 -3.824 -12.687 514 1HH2 ARG 147 1HH2 ARG 147 139.256 -1.688 -12.342 515 2HH2 ARG 147 2HH2 ARG 147 138.343 -2.675 -13.434 516 H ILE 148 H ILE 148 135.349 -2.665 -4.897 517 HA ILE 148 HA ILE 148 134.673 -4.790 -2.976 518 HB ILE 148 HB ILE 148 134.120 -1.827 -2.757 519 1HG1 ILE 148 2HG1 ILE 148 136.084 -3.452 -1.141 520 2HG1 ILE 148 1HG1 ILE 148 136.550 -2.585 -2.602 521 1HG2 ILE 148 1HG2 ILE 148 132.463 -3.168 -1.592 522 2HG2 ILE 148 2HG2 ILE 148 133.508 -2.340 -0.437 523 3HG2 ILE 148 3HG2 ILE 148 133.740 -4.058 -0.764 524 1HD1 ILE 148 1HD1 ILE 148 135.524 -1.438 -0.025 525 2HD1 ILE 148 2HD1 ILE 148 135.678 -0.499 -1.510 526 3HD1 ILE 148 3HD1 ILE 148 137.109 -1.212 -0.765 527 H ASP 149 H ASP 149 132.808 -5.789 -3.188 528 HA ASP 149 HA ASP 149 130.749 -4.603 -4.915 529 1HB ASP 149 2HB ASP 149 131.758 -6.943 -5.350 530 2HB ASP 149 1HB ASP 149 130.774 -7.466 -3.987 531 H TYR 150 H TYR 150 128.456 -5.221 -4.296 532 HA TYR 150 HA TYR 150 127.794 -4.066 -1.845 533 1HB TYR 150 2HB TYR 150 126.218 -4.177 -3.709 534 2HB TYR 150 1HB TYR 150 126.149 -5.930 -3.570 535 HD1 TYR 150 HD1 TYR 150 124.090 -6.606 -2.781 536 HD2 TYR 150 HD2 TYR 150 125.876 -3.130 -1.098 537 HE1 TYR 150 HE1 TYR 150 122.206 -6.405 -1.212 538 HE2 TYR 150 HE2 TYR 150 123.996 -2.921 0.476 539 HH TYR 150 HH TYR 150 121.876 -5.330 1.139 540 H ASP 151 H ASP 151 128.092 -7.465 -2.756 541 HA ASP 151 HA ASP 151 127.105 -8.624 -0.419 542 1HB ASP 151 2HB ASP 151 128.850 -9.490 -2.645 543 2HB ASP 151 1HB ASP 151 128.992 -10.422 -1.158 544 H GLU 152 H GLU 152 130.478 -7.881 -1.277 545 HA GLU 152 HA GLU 152 131.543 -8.632 1.236 546 1HB GLU 152 2HB GLU 152 132.745 -6.689 -0.738 547 2HB GLU 152 1HB GLU 152 133.598 -7.619 0.485 548 1HG GLU 152 2HG GLU 152 132.076 -9.315 -1.299 549 2HG GLU 152 1HG GLU 152 133.236 -8.308 -2.164 550 H PHE 153 H PHE 153 130.504 -5.525 -0.095 551 HA PHE 153 HA PHE 153 131.431 -3.892 1.982 552 1HB PHE 153 2HB PHE 153 130.082 -3.489 -0.393 553 2HB PHE 153 1HB PHE 153 128.906 -2.991 0.818 554 HD1 PHE 153 HD1 PHE 153 131.148 -1.687 -1.313 555 HD2 PHE 153 HD2 PHE 153 130.330 -1.685 2.863 556 HE1 PHE 153 HE1 PHE 153 132.302 0.474 -1.092 557 HE2 PHE 153 HE2 PHE 153 131.484 0.476 3.092 558 HZ PHE 153 HZ PHE 153 132.471 1.559 1.112 559 H LEU 154 H LEU 154 128.647 -5.977 1.799 560 HA LEU 154 HA LEU 154 126.980 -4.862 3.713 561 1HB LEU 154 2HB LEU 154 127.523 -7.709 2.929 562 2HB LEU 154 1HB LEU 154 126.399 -7.336 4.220 563 HG LEU 154 HG LEU 154 126.158 -6.659 1.300 564 1HD1 LEU 154 1HD1 LEU 154 124.841 -8.484 3.209 565 2HD1 LEU 154 2HD1 LEU 154 125.162 -8.677 1.485 566 3HD1 LEU 154 3HD1 LEU 154 123.806 -7.687 2.024 567 1HD2 LEU 154 1HD2 LEU 154 124.959 -5.306 3.640 568 2HD2 LEU 154 2HD2 LEU 154 123.883 -5.677 2.294 569 3HD2 LEU 154 3HD2 LEU 154 125.317 -4.686 2.029 570 H GLU 155 H GLU 155 129.876 -6.815 4.133 571 HA GLU 155 HA GLU 155 129.563 -7.014 6.989 572 1HB GLU 155 2HB GLU 155 131.486 -7.978 4.961 573 2HB GLU 155 1HB GLU 155 132.146 -7.702 6.567 574 1HG GLU 155 2HG GLU 155 129.643 -9.144 6.675 575 2HG GLU 155 1HG GLU 155 130.836 -9.968 5.672 576 H PHE 156 H PHE 156 131.137 -4.873 4.748 577 HA PHE 156 HA PHE 156 133.043 -3.694 6.411 578 1HB PHE 156 2HB PHE 156 132.448 -3.386 3.838 579 2HB PHE 156 1HB PHE 156 131.573 -1.988 4.455 580 HD1 PHE 156 HD1 PHE 156 134.204 -2.408 2.668 581 HD2 PHE 156 HD2 PHE 156 133.406 -1.184 6.665 582 HE1 PHE 156 HE1 PHE 156 136.296 -1.113 2.687 583 HE2 PHE 156 HE2 PHE 156 135.495 0.113 6.691 584 HZ PHE 156 HZ PHE 156 136.944 0.150 4.699 585 H MET 157 H MET 157 129.723 -2.587 5.719 586 HA MET 157 HA MET 157 129.883 -0.644 7.860 587 1HB MET 157 2HB MET 157 128.397 -0.880 5.482 588 2HB MET 157 1HB MET 157 127.224 -0.958 6.788 589 1HG MET 157 2HG MET 157 127.268 1.266 6.691 590 2HG MET 157 1HG MET 157 128.777 1.119 7.589 591 1HE MET 157 1HE MET 157 131.114 1.049 6.513 592 2HE MET 157 2HE MET 157 131.483 1.450 4.836 593 3HE MET 157 3HE MET 157 130.743 -0.102 5.229 594 H LYS 158 H LYS 158 129.432 -3.860 7.921 595 HA LYS 158 HA LYS 158 127.291 -3.823 9.925 596 1HB LYS 158 2HB LYS 158 128.444 -5.886 8.129 597 2HB LYS 158 1HB LYS 158 127.882 -6.435 9.701 598 1HG LYS 158 2HG LYS 158 126.021 -4.688 8.245 599 2HG LYS 158 1HG LYS 158 126.329 -6.261 7.505 600 1HD LYS 158 2HD LYS 158 124.706 -6.974 8.889 601 2HD LYS 158 1HD LYS 158 125.984 -6.961 10.106 602 1HE LYS 158 2HE LYS 158 124.694 -4.366 9.713 603 2HE LYS 158 1HE LYS 158 123.601 -5.624 10.288 604 1HZ LYS 158 1HZ LYS 158 126.202 -5.337 11.604 605 2HZ LYS 158 2HZ LYS 158 124.718 -5.828 12.247 606 3HZ LYS 158 3HZ LYS 158 125.006 -4.189 11.944 607 H GLY 159 H GLY 159 129.754 -2.640 10.579 608 1HA GLY 159 2HA GLY 159 130.611 -2.817 12.881 609 2HA GLY 159 1HA GLY 159 130.796 -4.542 12.586 610 H VAL 160 H VAL 160 132.517 -1.802 12.888 611 HA VAL 160 HA VAL 160 134.645 -2.828 11.140 612 HB VAL 160 HB VAL 160 134.662 0.094 11.476 613 1HG1 VAL 160 1HG1 VAL 160 134.770 -1.428 8.903 614 2HG1 VAL 160 2HG1 VAL 160 136.132 -1.454 10.023 615 3HG1 VAL 160 3HG1 VAL 160 135.576 0.076 9.346 616 1HG2 VAL 160 1HG2 VAL 160 132.456 -1.254 9.931 617 2HG2 VAL 160 2HG2 VAL 160 132.984 0.397 9.614 618 3HG2 VAL 160 3HG2 VAL 160 132.309 -0.026 11.188 619 H GLU 161 H GLU 161 134.487 -3.468 13.798 620 HA GLU 161 HA GLU 161 136.513 -1.742 15.061 621 1HB GLU 161 2HB GLU 161 135.730 -2.583 17.211 622 2HB GLU 161 1HB GLU 161 134.399 -1.874 16.308 623 1HG GLU 161 2HG GLU 161 134.060 -4.371 15.529 624 2HG GLU 161 1HG GLU 161 134.906 -4.704 17.040 Start of MODEL 14 1 1H MET 81 1HT MET 81 97.122 -18.069 9.189 2 2H MET 81 2HT MET 81 96.942 -16.708 8.159 3 3H MET 81 3HT MET 81 97.042 -18.286 7.490 4 HA MET 81 HA MET 81 94.800 -17.261 7.591 5 1HB MET 81 2HB MET 81 95.686 -19.930 8.548 6 2HB MET 81 1HB MET 81 93.989 -19.531 8.780 7 1HG MET 81 2HG MET 81 93.994 -18.908 6.299 8 2HG MET 81 1HG MET 81 95.523 -19.780 6.222 9 1HE MET 81 1HE MET 81 94.750 -22.391 8.398 10 2HE MET 81 2HE MET 81 95.870 -22.076 7.072 11 3HE MET 81 3HE MET 81 94.690 -23.381 6.940 12 H VAL 82 H VAL 82 93.676 -15.902 8.812 13 HA VAL 82 HA VAL 82 92.665 -14.918 10.599 14 HB VAL 82 HB VAL 82 93.225 -17.472 12.108 15 1HG1 VAL 82 1HG1 VAL 82 91.379 -16.851 13.489 16 2HG1 VAL 82 2HG1 VAL 82 90.982 -15.488 12.442 17 3HG1 VAL 82 3HG1 VAL 82 92.466 -15.465 13.395 18 1HG2 VAL 82 1HG2 VAL 82 92.126 -18.015 10.008 19 2HG2 VAL 82 2HG2 VAL 82 90.889 -16.797 10.321 20 3HG2 VAL 82 3HG2 VAL 82 91.007 -18.220 11.357 21 H ARG 83 H ARG 83 94.226 -13.342 10.925 22 HA ARG 83 HA ARG 83 95.795 -12.152 12.063 23 1HB ARG 83 2HB ARG 83 94.854 -14.125 14.101 24 2HB ARG 83 1HB ARG 83 96.258 -13.133 14.473 25 1HG ARG 83 2HG ARG 83 94.954 -11.116 14.122 26 2HG ARG 83 1HG ARG 83 93.547 -12.086 13.682 27 1HD ARG 83 2HD ARG 83 93.072 -11.704 15.881 28 2HD ARG 83 1HD ARG 83 94.012 -13.187 16.036 29 HE ARG 83 HE ARG 83 95.885 -11.251 16.250 30 1HH1 ARG 83 1HH1 ARG 83 92.840 -11.806 17.864 31 2HH1 ARG 83 2HH1 ARG 83 93.342 -11.051 19.340 32 1HH2 ARG 83 1HH2 ARG 83 96.547 -10.260 18.191 33 2HH2 ARG 83 2HH2 ARG 83 95.447 -10.173 19.526 34 H CYS 84 H CYS 84 98.004 -12.301 13.109 35 HA CYS 84 HA CYS 84 99.435 -14.725 12.258 36 1HB CYS 84 2HB CYS 84 99.876 -11.916 11.405 37 2HB CYS 84 1HB CYS 84 101.314 -12.871 11.747 38 HG CYS 84 HG CYS 84 100.204 -14.611 9.925 39 H MET 85 H MET 85 101.755 -14.679 13.146 40 HA MET 85 HA MET 85 101.569 -14.366 15.990 41 1HB MET 85 2HB MET 85 103.370 -15.659 14.088 42 2HB MET 85 1HB MET 85 104.220 -14.927 15.441 43 1HG MET 85 2HG MET 85 103.328 -16.358 16.963 44 2HG MET 85 1HG MET 85 101.839 -16.585 16.045 45 1HE MET 85 1HE MET 85 105.199 -17.506 16.952 46 2HE MET 85 2HE MET 85 105.667 -18.922 16.012 47 3HE MET 85 3HE MET 85 104.454 -19.070 17.284 48 H LYS 86 H LYS 86 103.644 -12.936 13.472 49 HA LYS 86 HA LYS 86 103.967 -10.583 15.205 50 1HB LYS 86 2HB LYS 86 106.127 -12.063 13.707 51 2HB LYS 86 1HB LYS 86 106.331 -10.416 14.288 52 1HG LYS 86 2HG LYS 86 105.856 -11.232 16.587 53 2HG LYS 86 1HG LYS 86 105.838 -12.876 15.950 54 1HD LYS 86 2HD LYS 86 108.175 -12.263 15.000 55 2HD LYS 86 1HD LYS 86 108.130 -10.964 16.196 56 1HE LYS 86 2HE LYS 86 107.853 -12.557 17.983 57 2HE LYS 86 1HE LYS 86 107.722 -13.884 16.829 58 1HZ LYS 86 1HZ LYS 86 109.957 -13.813 16.358 59 2HZ LYS 86 2HZ LYS 86 109.962 -13.423 18.004 60 3HZ LYS 86 3HZ LYS 86 110.135 -12.203 16.845 61 H ASP 87 H ASP 87 102.996 -8.964 14.187 62 HA ASP 87 HA ASP 87 102.889 -8.907 11.279 63 1HB ASP 87 2HB ASP 87 101.345 -6.994 11.613 64 2HB ASP 87 1HB ASP 87 100.822 -8.445 12.463 65 H ASP 88 H ASP 88 104.702 -7.506 13.826 66 HA ASP 88 HA ASP 88 105.377 -5.020 12.739 67 1HB ASP 88 2HB ASP 88 105.971 -6.285 15.052 68 2HB ASP 88 1HB ASP 88 107.504 -6.473 14.204 69 H SER 89 H SER 89 106.694 -4.395 11.140 70 HA SER 89 HA SER 89 108.480 -6.409 9.941 71 1HB SER 89 2HB SER 89 107.063 -4.279 8.342 72 2HB SER 89 1HB SER 89 107.898 -5.714 7.748 73 HG SER 89 HG SER 89 105.346 -5.447 8.801 74 H LYS 90 H LYS 90 110.535 -5.818 10.042 75 HA LYS 90 HA LYS 90 111.442 -3.346 10.960 76 1HB LYS 90 2HB LYS 90 112.654 -5.759 9.792 77 2HB LYS 90 1HB LYS 90 113.590 -4.290 9.559 78 1HG LYS 90 2HG LYS 90 114.028 -4.045 11.784 79 2HG LYS 90 1HG LYS 90 112.546 -4.867 12.278 80 1HD LYS 90 2HD LYS 90 114.506 -6.222 12.798 81 2HD LYS 90 1HD LYS 90 113.505 -7.011 11.579 82 1HE LYS 90 2HE LYS 90 115.027 -6.010 9.842 83 2HE LYS 90 1HE LYS 90 116.086 -5.515 11.162 84 1HZ LYS 90 1HZ LYS 90 117.013 -7.508 10.740 85 2HZ LYS 90 2HZ LYS 90 115.608 -8.163 10.060 86 3HZ LYS 90 3HZ LYS 90 115.774 -8.082 11.742 87 H GLY 91 H GLY 91 112.931 -1.858 9.747 88 1HA GLY 91 2HA GLY 91 111.884 -1.387 7.022 89 2HA GLY 91 1HA GLY 91 112.201 -0.086 8.160 90 H LYS 92 H LYS 92 114.421 0.323 8.774 91 HA LYS 92 HA LYS 92 116.183 0.078 6.510 92 1HB LYS 92 2HB LYS 92 116.796 1.267 9.217 93 2HB LYS 92 1HB LYS 92 117.653 1.558 7.708 94 1HG LYS 92 2HG LYS 92 115.040 2.259 7.133 95 2HG LYS 92 1HG LYS 92 115.288 2.842 8.780 96 1HD LYS 92 2HD LYS 92 116.745 4.432 8.130 97 2HD LYS 92 1HD LYS 92 117.509 3.383 6.933 98 1HE LYS 92 2HE LYS 92 116.518 4.862 5.518 99 2HE LYS 92 1HE LYS 92 115.179 3.731 5.708 100 1HZ LYS 92 1HZ LYS 92 115.551 6.308 7.136 101 2HZ LYS 92 2HZ LYS 92 114.334 5.189 7.500 102 3HZ LYS 92 3HZ LYS 92 114.364 5.942 5.985 103 H THR 93 H THR 93 116.552 -2.180 6.440 104 HA THR 93 HA THR 93 118.263 -3.211 8.604 105 HB THR 93 HB THR 93 116.151 -4.450 8.290 106 HG1 THR 93 HG1 THR 93 117.126 -6.503 8.074 107 1HG2 THR 93 1HG2 THR 93 115.367 -5.219 6.356 108 2HG2 THR 93 2HG2 THR 93 116.959 -5.742 5.807 109 3HG2 THR 93 3HG2 THR 93 116.470 -4.060 5.615 110 H GLU 94 H GLU 94 119.139 -5.484 7.016 111 HA GLU 94 HA GLU 94 121.411 -4.309 5.787 112 1HB GLU 94 2HB GLU 94 120.388 -7.053 6.235 113 2HB GLU 94 1HB GLU 94 121.528 -6.851 4.912 114 1HG GLU 94 2HG GLU 94 123.105 -7.116 6.455 115 2HG GLU 94 1HG GLU 94 122.732 -5.462 6.936 116 H GLU 95 H GLU 95 118.291 -4.699 4.641 117 HA GLU 95 HA GLU 95 118.937 -5.287 1.897 118 1HB GLU 95 2HB GLU 95 116.594 -4.997 1.451 119 2HB GLU 95 1HB GLU 95 116.754 -5.896 2.953 120 1HG GLU 95 2HG GLU 95 115.318 -4.441 3.814 121 2HG GLU 95 1HG GLU 95 116.646 -3.282 3.798 122 H GLU 96 H GLU 96 118.471 -2.441 3.858 123 HA GLU 96 HA GLU 96 118.263 -0.617 1.656 124 1HB GLU 96 2HB GLU 96 118.410 1.130 3.338 125 2HB GLU 96 1HB GLU 96 117.292 -0.119 3.866 126 1HG GLU 96 2HG GLU 96 118.443 -0.435 5.725 127 2HG GLU 96 1HG GLU 96 119.924 -0.724 4.810 128 H LEU 97 H LEU 97 120.847 -2.138 3.345 129 HA LEU 97 HA LEU 97 122.910 -0.295 3.066 130 1HB LEU 97 2HB LEU 97 122.809 -3.284 3.171 131 2HB LEU 97 1HB LEU 97 124.332 -2.479 2.841 132 HG LEU 97 HG LEU 97 122.640 -2.002 5.295 133 1HD1 LEU 97 1HD1 LEU 97 125.074 -3.718 4.856 134 2HD1 LEU 97 2HD1 LEU 97 123.482 -4.224 5.422 135 3HD1 LEU 97 3HD1 LEU 97 124.502 -3.216 6.448 136 1HD2 LEU 97 1HD2 LEU 97 125.320 -0.987 4.396 137 2HD2 LEU 97 2HD2 LEU 97 124.828 -0.983 6.090 138 3HD2 LEU 97 3HD2 LEU 97 123.906 -0.061 4.902 139 H SER 98 H SER 98 121.275 -2.135 0.651 140 HA SER 98 HA SER 98 123.334 -2.157 -1.306 141 1HB SER 98 2HB SER 98 121.632 -2.863 -2.852 142 2HB SER 98 1HB SER 98 121.303 -3.647 -1.307 143 HG SER 98 HG SER 98 119.751 -1.990 -0.912 144 H ASP 99 H ASP 99 120.704 0.064 -0.536 145 HA ASP 99 HA ASP 99 120.888 1.725 -2.781 146 1HB ASP 99 2HB ASP 99 119.244 1.650 -0.653 147 2HB ASP 99 1HB ASP 99 120.267 3.001 -0.174 148 H LEU 100 H LEU 100 122.594 1.826 0.316 149 HA LEU 100 HA LEU 100 123.992 4.238 -0.205 150 1HB LEU 100 2HB LEU 100 124.433 1.975 1.725 151 2HB LEU 100 1HB LEU 100 125.523 3.346 1.641 152 HG LEU 100 HG LEU 100 122.703 4.102 1.910 153 1HD1 LEU 100 1HD1 LEU 100 123.932 2.176 3.780 154 2HD1 LEU 100 2HD1 LEU 100 122.235 2.473 3.402 155 3HD1 LEU 100 3HD1 LEU 100 123.095 3.552 4.500 156 1HD2 LEU 100 1HD2 LEU 100 124.333 5.792 2.122 157 2HD2 LEU 100 2HD2 LEU 100 125.305 4.826 3.230 158 3HD2 LEU 100 3HD2 LEU 100 123.757 5.483 3.758 159 H PHE 101 H PHE 101 124.463 0.973 -1.206 160 HA PHE 101 HA PHE 101 127.244 0.999 -1.642 161 1HB PHE 101 2HB PHE 101 125.879 -1.061 -1.635 162 2HB PHE 101 1HB PHE 101 125.122 -0.551 -3.141 163 HD1 PHE 101 HD1 PHE 101 126.263 -0.748 -5.231 164 HD2 PHE 101 HD2 PHE 101 128.222 -1.760 -1.592 165 HE1 PHE 101 HE1 PHE 101 128.055 -1.851 -6.506 166 HE2 PHE 101 HE2 PHE 101 130.018 -2.863 -2.860 167 HZ PHE 101 HZ PHE 101 129.936 -2.909 -5.322 168 H ARG 102 H ARG 102 124.536 1.670 -3.866 169 HA ARG 102 HA ARG 102 126.054 2.233 -6.133 170 1HB ARG 102 2HB ARG 102 123.309 2.612 -5.261 171 2HB ARG 102 1HB ARG 102 123.852 3.938 -6.278 172 1HG ARG 102 2HG ARG 102 124.691 1.487 -7.459 173 2HG ARG 102 1HG ARG 102 122.978 1.367 -7.055 174 1HD ARG 102 2HD ARG 102 123.268 3.911 -8.146 175 2HD ARG 102 1HD ARG 102 124.285 2.878 -9.150 176 HE ARG 102 HE ARG 102 122.394 1.937 -10.012 177 1HH1 ARG 102 1HH1 ARG 102 121.568 3.532 -7.020 178 2HH1 ARG 102 2HH1 ARG 102 119.866 3.271 -7.206 179 1HH2 ARG 102 1HH2 ARG 102 120.156 1.593 -10.259 180 2HH2 ARG 102 2HH2 ARG 102 119.064 2.171 -9.044 181 H MET 103 H MET 103 125.261 4.224 -3.365 182 HA MET 103 HA MET 103 125.905 6.743 -4.374 183 1HB MET 103 2HB MET 103 125.742 5.512 -1.688 184 2HB MET 103 1HB MET 103 126.700 6.982 -1.801 185 1HG MET 103 2HG MET 103 124.575 7.846 -3.101 186 2HG MET 103 1HG MET 103 123.785 6.580 -2.162 187 1HE MET 103 1HE MET 103 122.303 9.008 -0.605 188 2HE MET 103 2HE MET 103 122.822 8.091 0.808 189 3HE MET 103 3HE MET 103 122.466 7.254 -0.703 190 H PHE 104 H PHE 104 127.947 4.117 -3.326 191 HA PHE 104 HA PHE 104 130.343 5.735 -3.299 192 1HB PHE 104 2HB PHE 104 129.584 3.247 -2.215 193 2HB PHE 104 1HB PHE 104 130.879 2.907 -3.358 194 HD1 PHE 104 HD1 PHE 104 130.174 3.722 -0.055 195 HD2 PHE 104 HD2 PHE 104 132.919 4.611 -3.182 196 HE1 PHE 104 HE1 PHE 104 131.829 4.455 1.612 197 HE2 PHE 104 HE2 PHE 104 134.581 5.344 -1.521 198 HZ PHE 104 HZ PHE 104 134.036 5.266 0.880 199 H ASP 105 H ASP 105 128.492 4.294 -5.697 200 HA ASP 105 HA ASP 105 130.789 3.811 -7.451 201 1HB ASP 105 2HB ASP 105 128.502 2.357 -7.103 202 2HB ASP 105 1HB ASP 105 128.084 3.325 -8.514 203 H LYS 106 H LYS 106 131.150 4.970 -9.297 204 HA LYS 106 HA LYS 106 129.537 7.408 -9.610 205 1HB LYS 106 2HB LYS 106 132.406 6.805 -10.312 206 2HB LYS 106 1HB LYS 106 131.575 8.255 -10.856 207 1HG LYS 106 2HG LYS 106 131.458 7.704 -7.963 208 2HG LYS 106 1HG LYS 106 133.040 8.133 -8.618 209 1HD LYS 106 2HD LYS 106 132.381 10.259 -8.400 210 2HD LYS 106 1HD LYS 106 131.361 9.960 -9.809 211 1HE LYS 106 2HE LYS 106 129.977 10.916 -8.128 212 2HE LYS 106 1HE LYS 106 129.564 9.205 -8.232 213 1HZ LYS 106 1HZ LYS 106 129.785 9.346 -6.009 214 2HZ LYS 106 2HZ LYS 106 130.821 10.681 -6.064 215 3HZ LYS 106 3HZ LYS 106 131.427 9.128 -6.349 216 H ASN 107 H ASN 107 130.960 4.700 -11.355 217 HA ASN 107 HA ASN 107 129.673 5.598 -13.828 218 1HB ASN 107 2HB ASN 107 131.004 3.766 -14.891 219 2HB ASN 107 1HB ASN 107 131.985 4.998 -14.102 220 1HD2 ASN 107 1HD2 ASN 107 133.743 3.711 -13.760 221 2HD2 ASN 107 2HD2 ASN 107 133.750 2.382 -12.659 222 H ALA 108 H ALA 108 128.612 4.005 -11.273 223 HA ALA 108 HA ALA 108 127.141 2.306 -10.841 224 1HB ALA 108 1HB ALA 108 125.186 2.294 -12.314 225 2HB ALA 108 2HB ALA 108 126.081 3.234 -13.507 226 3HB ALA 108 3HB ALA 108 125.704 3.937 -11.934 227 H ASP 109 H ASP 109 129.013 0.785 -11.181 228 HA ASP 109 HA ASP 109 128.442 -1.024 -13.435 229 1HB ASP 109 2HB ASP 109 130.829 -1.725 -13.296 230 2HB ASP 109 1HB ASP 109 130.621 -0.037 -13.750 231 H GLY 110 H GLY 110 128.289 -0.694 -10.110 232 1HA GLY 110 2HA GLY 110 127.396 -2.343 -8.685 233 2HA GLY 110 1HA GLY 110 127.925 -3.576 -9.817 234 H TYR 111 H TYR 111 130.595 -1.965 -9.802 235 HA TYR 111 HA TYR 111 131.603 -3.002 -7.240 236 1HB TYR 111 2HB TYR 111 132.902 -3.286 -9.958 237 2HB TYR 111 1HB TYR 111 133.683 -3.689 -8.432 238 HD1 TYR 111 HD1 TYR 111 130.784 -4.551 -10.591 239 HD2 TYR 111 HD2 TYR 111 133.378 -5.803 -7.460 240 HE1 TYR 111 HE1 TYR 111 129.827 -6.812 -10.711 241 HE2 TYR 111 HE2 TYR 111 132.429 -8.068 -7.572 242 HH TYR 111 HH TYR 111 131.245 -9.491 -9.196 243 H ILE 112 H ILE 112 133.233 -1.821 -6.261 244 HA ILE 112 HA ILE 112 133.700 0.842 -7.426 245 HB ILE 112 HB ILE 112 133.998 0.050 -4.529 246 1HG1 ILE 112 2HG1 ILE 112 131.782 1.832 -5.224 247 2HG1 ILE 112 1HG1 ILE 112 131.613 0.223 -5.915 248 1HG2 ILE 112 1HG2 ILE 112 134.551 2.196 -4.079 249 2HG2 ILE 112 2HG2 ILE 112 133.534 2.845 -5.364 250 3HG2 ILE 112 3HG2 ILE 112 135.110 2.157 -5.751 251 1HD1 ILE 112 1HD1 ILE 112 130.777 0.912 -3.455 252 2HD1 ILE 112 2HD1 ILE 112 132.388 0.298 -3.084 253 3HD1 ILE 112 3HD1 ILE 112 131.223 -0.728 -3.923 254 H ASP 113 H ASP 113 135.709 1.483 -7.906 255 HA ASP 113 HA ASP 113 137.925 -0.308 -7.167 256 1HB ASP 113 2HB ASP 113 139.093 0.845 -9.133 257 2HB ASP 113 1HB ASP 113 137.781 -0.264 -9.523 258 H LEU 114 H LEU 114 140.114 0.960 -7.228 259 HA LEU 114 HA LEU 114 140.036 2.808 -5.088 260 1HB LEU 114 2HB LEU 114 142.192 1.823 -6.920 261 2HB LEU 114 1HB LEU 114 142.512 3.136 -5.802 262 HG LEU 114 HG LEU 114 143.243 0.992 -4.891 263 1HD1 LEU 114 1HD1 LEU 114 140.846 1.700 -3.268 264 2HD1 LEU 114 2HD1 LEU 114 142.107 2.910 -3.521 265 3HD1 LEU 114 3HD1 LEU 114 142.501 1.372 -2.754 266 1HD2 LEU 114 1HD2 LEU 114 141.887 -0.850 -4.598 267 2HD2 LEU 114 2HD2 LEU 114 141.306 -0.222 -6.140 268 3HD2 LEU 114 3HD2 LEU 114 140.403 0.100 -4.659 269 H GLU 115 H GLU 115 140.142 3.162 -8.565 270 HA GLU 115 HA GLU 115 140.888 5.920 -8.552 271 1HB GLU 115 2HB GLU 115 139.604 4.219 -10.694 272 2HB GLU 115 1HB GLU 115 140.192 5.857 -10.941 273 1HG GLU 115 2HG GLU 115 142.055 3.816 -9.844 274 2HG GLU 115 1HG GLU 115 141.657 3.778 -11.561 275 H GLU 116 H GLU 116 137.862 4.164 -8.448 276 HA GLU 116 HA GLU 116 136.174 6.364 -9.069 277 1HB GLU 116 2HB GLU 116 135.820 3.651 -8.729 278 2HB GLU 116 1HB GLU 116 135.015 4.321 -7.317 279 1HG GLU 116 2HG GLU 116 133.547 5.614 -8.668 280 2HG GLU 116 1HG GLU 116 134.463 5.235 -10.126 281 H LEU 117 H LEU 117 136.604 4.679 -5.969 282 HA LEU 117 HA LEU 117 135.367 6.499 -4.322 283 1HB LEU 117 2HB LEU 117 136.778 5.625 -2.496 284 2HB LEU 117 1HB LEU 117 136.079 4.362 -3.489 285 HG LEU 117 HG LEU 117 138.332 4.339 -4.728 286 1HD1 LEU 117 1HD1 LEU 117 140.028 5.008 -2.677 287 2HD1 LEU 117 2HD1 LEU 117 138.838 6.309 -2.641 288 3HD1 LEU 117 3HD1 LEU 117 139.730 5.972 -4.125 289 1HD2 LEU 117 1HD2 LEU 117 137.331 2.855 -2.698 290 2HD2 LEU 117 2HD2 LEU 117 138.840 3.420 -1.981 291 3HD2 LEU 117 3HD2 LEU 117 138.867 2.529 -3.503 292 H LYS 118 H LYS 118 138.477 6.758 -5.843 293 HA LYS 118 HA LYS 118 139.588 8.763 -4.190 294 1HB LYS 118 2HB LYS 118 140.357 7.321 -6.493 295 2HB LYS 118 1HB LYS 118 140.488 9.024 -6.905 296 1HG LYS 118 2HG LYS 118 141.707 7.845 -4.425 297 2HG LYS 118 1HG LYS 118 142.558 7.951 -5.967 298 1HD LYS 118 2HD LYS 118 141.278 10.385 -4.790 299 2HD LYS 118 1HD LYS 118 142.848 9.839 -4.198 300 1HE LYS 118 2HE LYS 118 143.903 10.600 -6.013 301 2HE LYS 118 1HE LYS 118 142.717 9.877 -7.100 302 1HZ LYS 118 1HZ LYS 118 142.150 12.370 -5.614 303 2HZ LYS 118 2HZ LYS 118 141.360 11.757 -6.977 304 3HZ LYS 118 3HZ LYS 118 142.923 12.385 -7.120 305 H ILE 119 H ILE 119 137.034 8.864 -6.431 306 HA ILE 119 HA ILE 119 137.366 11.682 -7.059 307 HB ILE 119 HB ILE 119 135.054 9.894 -7.795 308 1HG1 ILE 119 2HG1 ILE 119 137.439 10.536 -9.530 309 2HG1 ILE 119 1HG1 ILE 119 137.348 9.075 -8.551 310 1HG2 ILE 119 1HG2 ILE 119 135.907 12.138 -9.506 311 2HG2 ILE 119 2HG2 ILE 119 135.185 12.572 -7.956 312 3HG2 ILE 119 3HG2 ILE 119 134.289 11.570 -9.099 313 1HD1 ILE 119 1HD1 ILE 119 135.128 9.703 -10.433 314 2HD1 ILE 119 2HD1 ILE 119 135.713 8.141 -9.857 315 3HD1 ILE 119 3HD1 ILE 119 136.640 9.044 -11.056 316 H MET 120 H MET 120 134.960 9.616 -5.443 317 HA MET 120 HA MET 120 133.233 11.652 -4.631 318 1HB MET 120 2HB MET 120 132.331 10.046 -3.040 319 2HB MET 120 1HB MET 120 132.634 9.277 -4.591 320 1HG MET 120 2HG MET 120 133.798 7.720 -3.550 321 2HG MET 120 1HG MET 120 134.977 8.945 -3.093 322 1HE MET 120 1HE MET 120 135.243 9.027 0.206 323 2HE MET 120 2HE MET 120 135.876 8.410 -1.320 324 3HE MET 120 3HE MET 120 135.222 7.294 -0.121 325 H LEU 121 H LEU 121 136.215 10.500 -3.169 326 HA LEU 121 HA LEU 121 135.752 11.955 -0.719 327 1HB LEU 121 2HB LEU 121 138.018 11.228 -0.102 328 2HB LEU 121 1HB LEU 121 136.980 9.899 -0.574 329 HG LEU 121 HG LEU 121 138.152 10.295 -2.928 330 1HD1 LEU 121 1HD1 LEU 121 140.235 11.227 -2.897 331 2HD1 LEU 121 2HD1 LEU 121 140.484 10.880 -1.187 332 3HD1 LEU 121 3HD1 LEU 121 139.453 12.222 -1.671 333 1HD2 LEU 121 1HD2 LEU 121 139.757 8.548 -2.310 334 2HD2 LEU 121 2HD2 LEU 121 138.148 8.209 -1.671 335 3HD2 LEU 121 3HD2 LEU 121 139.406 8.835 -0.607 336 H GLN 122 H GLN 122 137.781 12.363 -3.604 337 HA GLN 122 HA GLN 122 139.184 14.625 -2.669 338 1HB GLN 122 2HB GLN 122 139.765 15.016 -5.013 339 2HB GLN 122 1HB GLN 122 139.954 13.321 -4.585 340 1HG GLN 122 2HG GLN 122 137.814 12.819 -5.636 341 2HG GLN 122 1HG GLN 122 137.633 14.517 -6.077 342 1HE2 GLN 122 1HE2 GLN 122 138.269 15.056 -8.030 343 2HE2 GLN 122 2HE2 GLN 122 139.393 14.187 -9.015 344 H ALA 123 H ALA 123 136.241 14.310 -4.616 345 HA ALA 123 HA ALA 123 135.783 17.009 -5.127 346 1HB ALA 123 1HB ALA 123 134.336 15.771 -6.346 347 2HB ALA 123 2HB ALA 123 133.265 16.101 -4.984 348 3HB ALA 123 3HB ALA 123 134.126 14.564 -5.077 349 H THR 124 H THR 124 135.480 15.233 -2.187 350 HA THR 124 HA THR 124 134.192 17.553 -0.918 351 HB THR 124 HB THR 124 132.730 15.600 -0.881 352 HG1 THR 124 HG1 THR 124 133.841 16.047 1.686 353 1HG2 THR 124 1HG2 THR 124 133.253 13.557 0.029 354 2HG2 THR 124 2HG2 THR 124 134.656 14.187 0.894 355 3HG2 THR 124 3HG2 THR 124 134.720 13.975 -0.855 356 H GLY 125 H GLY 125 135.766 18.682 0.052 357 1HA GLY 125 2HA GLY 125 138.020 17.275 1.265 358 2HA GLY 125 1HA GLY 125 137.886 19.009 1.024 359 H GLU 126 H GLU 126 135.284 17.203 2.467 360 HA GLU 126 HA GLU 126 135.995 18.342 5.088 361 1HB GLU 126 2HB GLU 126 133.325 18.177 3.711 362 2HB GLU 126 1HB GLU 126 133.455 18.384 5.453 363 1HG GLU 126 2HG GLU 126 135.013 20.244 3.766 364 2HG GLU 126 1HG GLU 126 133.260 20.425 3.757 365 H THR 127 H THR 127 135.366 15.515 3.349 366 HA THR 127 HA THR 127 134.671 14.051 5.803 367 HB THR 127 HB THR 127 133.637 12.386 4.475 368 HG1 THR 127 HG1 THR 127 133.809 12.423 2.186 369 1HG2 THR 127 1HG2 THR 127 131.836 13.501 3.787 370 2HG2 THR 127 2HG2 THR 127 132.763 14.499 2.665 371 3HG2 THR 127 3HG2 THR 127 132.682 14.933 4.374 372 H ILE 128 H ILE 128 135.361 11.493 4.930 373 HA ILE 128 HA ILE 128 137.964 11.207 5.738 374 HB ILE 128 HB ILE 128 136.639 9.373 3.745 375 1HG1 ILE 128 2HG1 ILE 128 136.190 8.285 6.233 376 2HG1 ILE 128 1HG1 ILE 128 135.955 10.003 6.531 377 1HG2 ILE 128 1HG2 ILE 128 138.993 8.911 4.172 378 2HG2 ILE 128 2HG2 ILE 128 137.971 7.644 4.854 379 3HG2 ILE 128 3HG2 ILE 128 138.679 8.869 5.908 380 1HD1 ILE 128 1HD1 ILE 128 134.620 9.180 4.116 381 2HD1 ILE 128 2HD1 ILE 128 133.970 9.968 5.554 382 3HD1 ILE 128 3HD1 ILE 128 134.111 8.211 5.498 383 H THR 129 H THR 129 139.915 11.484 4.883 384 HA THR 129 HA THR 129 140.176 12.579 2.236 385 HB THR 129 HB THR 129 142.515 11.762 3.919 386 HG1 THR 129 HG1 THR 129 141.428 12.789 5.463 387 1HG2 THR 129 1HG2 THR 129 141.936 14.009 2.026 388 2HG2 THR 129 2HG2 THR 129 143.217 12.796 1.952 389 3HG2 THR 129 3HG2 THR 129 143.277 14.070 3.171 390 H GLU 130 H GLU 130 141.898 11.754 0.746 391 HA GLU 130 HA GLU 130 141.299 9.230 -0.202 392 1HB GLU 130 2HB GLU 130 143.457 9.424 -1.489 393 2HB GLU 130 1HB GLU 130 142.357 10.784 -1.658 394 1HG GLU 130 2HG GLU 130 144.340 11.032 0.494 395 2HG GLU 130 1HG GLU 130 144.991 11.012 -1.145 396 H ASP 131 H ASP 131 143.460 10.104 2.357 397 HA ASP 131 HA ASP 131 145.113 7.806 2.301 398 1HB ASP 131 2HB ASP 131 144.653 10.080 4.091 399 2HB ASP 131 1HB ASP 131 145.090 8.599 4.940 400 H ASP 132 H ASP 132 142.496 8.636 4.576 401 HA ASP 132 HA ASP 132 142.335 6.117 5.772 402 1HB ASP 132 2HB ASP 132 140.637 8.536 5.672 403 2HB ASP 132 1HB ASP 132 139.815 7.041 6.113 404 H ILE 133 H ILE 133 140.780 7.374 2.877 405 HA ILE 133 HA ILE 133 138.888 5.289 2.579 406 HB ILE 133 HB ILE 133 140.092 7.088 0.469 407 1HG1 ILE 133 2HG1 ILE 133 138.916 8.280 2.288 408 2HG1 ILE 133 1HG1 ILE 133 138.068 8.422 0.752 409 1HG2 ILE 133 1HG2 ILE 133 137.854 5.102 0.392 410 2HG2 ILE 133 2HG2 ILE 133 139.164 5.356 -0.762 411 3HG2 ILE 133 3HG2 ILE 133 137.838 6.515 -0.664 412 1HD1 ILE 133 1HD1 ILE 133 137.326 6.820 3.164 413 2HD1 ILE 133 2HD1 ILE 133 136.664 6.443 1.573 414 3HD1 ILE 133 3HD1 ILE 133 136.382 8.029 2.293 415 H GLU 134 H GLU 134 141.971 5.846 0.852 416 HA GLU 134 HA GLU 134 142.069 3.561 -0.658 417 1HB GLU 134 2HB GLU 134 143.806 5.603 -0.138 418 2HB GLU 134 1HB GLU 134 144.647 4.239 0.586 419 1HG GLU 134 2HG GLU 134 144.230 3.047 -1.639 420 2HG GLU 134 1HG GLU 134 143.846 4.648 -2.270 421 H GLU 135 H GLU 135 142.583 3.879 2.772 422 HA GLU 135 HA GLU 135 143.722 1.251 3.087 423 1HB GLU 135 2HB GLU 135 143.014 3.516 4.867 424 2HB GLU 135 1HB GLU 135 143.002 1.914 5.594 425 1HG GLU 135 2HG GLU 135 145.369 1.993 4.153 426 2HG GLU 135 1HG GLU 135 145.230 3.600 4.865 427 H LEU 136 H LEU 136 140.554 2.705 3.224 428 HA LEU 136 HA LEU 136 139.194 0.697 4.637 429 1HB LEU 136 2HB LEU 136 138.540 3.082 3.256 430 2HB LEU 136 1HB LEU 136 137.503 1.821 2.615 431 HG LEU 136 HG LEU 136 137.212 1.353 5.257 432 1HD1 LEU 136 1HD1 LEU 136 137.476 3.145 6.599 433 2HD1 LEU 136 2HD1 LEU 136 137.065 4.294 5.326 434 3HD1 LEU 136 3HD1 LEU 136 138.684 3.596 5.393 435 1HD2 LEU 136 1HD2 LEU 136 135.207 3.046 4.971 436 2HD2 LEU 136 2HD2 LEU 136 135.255 1.518 4.093 437 3HD2 LEU 136 3HD2 LEU 136 135.730 3.012 3.287 438 H MET 137 H MET 137 140.222 0.914 1.307 439 HA MET 137 HA MET 137 138.582 -1.020 0.147 440 1HB MET 137 2HB MET 137 140.437 0.585 -0.848 441 2HB MET 137 1HB MET 137 141.447 -0.843 -0.671 442 1HG MET 137 2HG MET 137 140.688 -1.047 -2.829 443 2HG MET 137 1HG MET 137 139.544 -2.049 -1.940 444 1HE MET 137 1HE MET 137 138.277 -0.779 -5.006 445 2HE MET 137 2HE MET 137 136.842 -1.132 -4.044 446 3HE MET 137 3HE MET 137 138.281 -2.137 -3.879 447 H LYS 138 H LYS 138 141.768 -1.397 1.678 448 HA LYS 138 HA LYS 138 142.023 -4.155 1.302 449 1HB LYS 138 2HB LYS 138 143.404 -2.088 2.724 450 2HB LYS 138 1HB LYS 138 143.240 -3.488 3.776 451 1HG LYS 138 2HG LYS 138 144.358 -4.892 2.213 452 2HG LYS 138 1HG LYS 138 144.329 -3.632 0.977 453 1HD LYS 138 2HD LYS 138 145.622 -2.944 3.548 454 2HD LYS 138 1HD LYS 138 146.461 -4.115 2.528 455 1HE LYS 138 2HE LYS 138 145.727 -2.180 0.731 456 2HE LYS 138 1HE LYS 138 146.086 -1.237 2.178 457 1HZ LYS 138 1HZ LYS 138 148.267 -1.733 2.063 458 2HZ LYS 138 2HZ LYS 138 147.932 -1.988 0.426 459 3HZ LYS 138 3HZ LYS 138 148.012 -3.302 1.487 460 H ASP 139 H ASP 139 140.129 -2.341 3.576 461 HA ASP 139 HA ASP 139 139.575 -4.749 5.150 462 1HB ASP 139 2HB ASP 139 138.821 -1.861 5.636 463 2HB ASP 139 1HB ASP 139 138.428 -3.200 6.710 464 H GLY 140 H GLY 140 138.459 -3.752 2.355 465 1HA GLY 140 2HA GLY 140 135.650 -4.351 3.034 466 2HA GLY 140 1HA GLY 140 136.095 -3.196 1.787 467 H ASP 141 H ASP 141 138.275 -4.783 0.732 468 HA ASP 141 HA ASP 141 136.740 -6.456 -1.025 469 1HB ASP 141 2HB ASP 141 139.351 -5.224 -1.024 470 2HB ASP 141 1HB ASP 141 139.478 -6.918 -1.488 471 H LYS 142 H LYS 142 135.981 -8.267 -0.059 472 HA LYS 142 HA LYS 142 137.622 -9.847 1.705 473 1HB LYS 142 2HB LYS 142 134.874 -10.330 0.545 474 2HB LYS 142 1HB LYS 142 135.655 -11.389 1.711 475 1HG LYS 142 2HG LYS 142 135.070 -8.482 2.219 476 2HG LYS 142 1HG LYS 142 134.001 -9.805 2.688 477 1HD LYS 142 2HD LYS 142 136.814 -10.082 3.522 478 2HD LYS 142 1HD LYS 142 135.918 -8.768 4.286 479 1HE LYS 142 2HE LYS 142 134.106 -10.498 4.752 480 2HE LYS 142 1HE LYS 142 135.310 -11.711 4.316 481 1HZ LYS 142 1HZ LYS 142 136.765 -10.646 6.050 482 2HZ LYS 142 2HZ LYS 142 135.415 -11.478 6.640 483 3HZ LYS 142 3HZ LYS 142 135.401 -9.787 6.566 484 H ASN 143 H ASN 143 136.526 -10.006 -1.633 485 HA ASN 143 HA ASN 143 137.675 -12.630 -2.044 486 1HB ASN 143 2HB ASN 143 136.993 -12.218 -4.438 487 2HB ASN 143 1HB ASN 143 135.676 -12.168 -3.271 488 1HD2 ASN 143 1HD2 ASN 143 134.908 -11.052 -5.389 489 2HD2 ASN 143 2HD2 ASN 143 135.027 -9.329 -5.380 490 H ASN 144 H ASN 144 138.908 -9.545 -1.876 491 HA ASN 144 HA ASN 144 140.795 -8.511 -2.609 492 1HB ASN 144 2HB ASN 144 141.490 -11.319 -2.038 493 2HB ASN 144 1HB ASN 144 142.671 -10.443 -3.009 494 1HD2 ASN 144 1HD2 ASN 144 144.128 -10.637 -1.255 495 2HD2 ASN 144 2HD2 ASN 144 144.011 -9.586 0.113 496 H ASP 145 H ASP 145 138.899 -9.384 -4.700 497 HA ASP 145 HA ASP 145 140.434 -10.248 -6.952 498 1HB ASP 145 2HB ASP 145 138.407 -9.760 -8.252 499 2HB ASP 145 1HB ASP 145 138.025 -10.690 -6.806 500 H GLY 146 H GLY 146 139.376 -7.162 -5.662 501 1HA GLY 146 2HA GLY 146 141.211 -5.433 -6.263 502 2HA GLY 146 1HA GLY 146 140.679 -5.768 -7.903 503 H ARG 147 H ARG 147 137.907 -6.094 -6.351 504 HA ARG 147 HA ARG 147 137.314 -3.252 -6.027 505 1HB ARG 147 2HB ARG 147 135.665 -5.056 -7.806 506 2HB ARG 147 1HB ARG 147 135.373 -3.353 -7.477 507 1HG ARG 147 2HG ARG 147 137.967 -3.415 -8.444 508 2HG ARG 147 1HG ARG 147 137.104 -4.593 -9.435 509 1HD ARG 147 2HD ARG 147 135.334 -2.827 -9.773 510 2HD ARG 147 1HD ARG 147 136.444 -1.684 -9.019 511 HE ARG 147 HE ARG 147 137.687 -1.667 -10.946 512 1HH1 ARG 147 1HH1 ARG 147 135.460 -4.351 -11.052 513 2HH1 ARG 147 2HH1 ARG 147 135.793 -4.724 -12.710 514 1HH2 ARG 147 1HH2 ARG 147 138.125 -2.154 -13.127 515 2HH2 ARG 147 2HH2 ARG 147 137.305 -3.476 -13.889 516 H ILE 148 H ILE 148 135.169 -2.892 -5.034 517 HA ILE 148 HA ILE 148 134.510 -5.111 -3.218 518 HB ILE 148 HB ILE 148 133.897 -2.185 -2.799 519 1HG1 ILE 148 2HG1 ILE 148 136.077 -3.741 -1.417 520 2HG1 ILE 148 1HG1 ILE 148 136.380 -2.838 -2.898 521 1HG2 ILE 148 1HG2 ILE 148 134.042 -4.272 -0.663 522 2HG2 ILE 148 2HG2 ILE 148 132.582 -4.098 -1.637 523 3HG2 ILE 148 3HG2 ILE 148 133.168 -2.740 -0.676 524 1HD1 ILE 148 1HD1 ILE 148 135.981 -0.788 -1.864 525 2HD1 ILE 148 2HD1 ILE 148 136.901 -1.709 -0.674 526 3HD1 ILE 148 3HD1 ILE 148 135.155 -1.537 -0.497 527 H ASP 149 H ASP 149 132.601 -6.049 -3.361 528 HA ASP 149 HA ASP 149 130.531 -4.788 -5.020 529 1HB ASP 149 2HB ASP 149 129.545 -7.143 -5.014 530 2HB ASP 149 1HB ASP 149 131.057 -6.926 -5.893 531 H TYR 150 H TYR 150 128.238 -5.737 -4.276 532 HA TYR 150 HA TYR 150 127.736 -4.510 -1.752 533 1HB TYR 150 2HB TYR 150 126.083 -4.401 -3.542 534 2HB TYR 150 1HB TYR 150 125.926 -6.154 -3.534 535 HD1 TYR 150 HD1 TYR 150 125.926 -3.591 -0.807 536 HD2 TYR 150 HD2 TYR 150 123.839 -6.745 -2.755 537 HE1 TYR 150 HE1 TYR 150 124.124 -3.418 0.858 538 HE2 TYR 150 HE2 TYR 150 122.030 -6.581 -1.096 539 HH TYR 150 HH TYR 150 122.010 -5.639 1.517 540 H ASP 151 H ASP 151 128.540 -7.701 -2.701 541 HA ASP 151 HA ASP 151 127.290 -9.096 -0.562 542 1HB ASP 151 2HB ASP 151 129.461 -9.755 -2.525 543 2HB ASP 151 1HB ASP 151 129.139 -10.836 -1.172 544 H GLU 152 H GLU 152 130.734 -8.324 -1.111 545 HA GLU 152 HA GLU 152 131.502 -9.000 1.523 546 1HB GLU 152 2HB GLU 152 133.651 -7.913 0.953 547 2HB GLU 152 1HB GLU 152 133.121 -9.078 -0.252 548 1HG GLU 152 2HG GLU 152 132.080 -6.930 -1.364 549 2HG GLU 152 1HG GLU 152 133.337 -6.128 -0.424 550 H PHE 153 H PHE 153 130.595 -5.930 0.022 551 HA PHE 153 HA PHE 153 131.452 -4.234 2.083 552 1HB PHE 153 2HB PHE 153 130.143 -3.891 -0.331 553 2HB PHE 153 1HB PHE 153 128.956 -3.356 0.851 554 HD1 PHE 153 HD1 PHE 153 130.680 -1.825 -1.317 555 HD2 PHE 153 HD2 PHE 153 130.911 -2.289 2.907 556 HE1 PHE 153 HE1 PHE 153 131.841 0.338 -1.145 557 HE2 PHE 153 HE2 PHE 153 132.070 -0.127 3.086 558 HZ PHE 153 HZ PHE 153 132.537 1.190 1.058 559 H LEU 154 H LEU 154 128.740 -6.374 1.885 560 HA LEU 154 HA LEU 154 127.015 -5.228 3.754 561 1HB LEU 154 2HB LEU 154 127.109 -7.574 2.275 562 2HB LEU 154 1HB LEU 154 127.132 -8.132 3.936 563 HG LEU 154 HG LEU 154 124.856 -8.072 3.134 564 1HD1 LEU 154 1HD1 LEU 154 125.004 -7.596 5.435 565 2HD1 LEU 154 2HD1 LEU 154 123.899 -6.392 4.771 566 3HD1 LEU 154 3HD1 LEU 154 125.567 -5.951 5.141 567 1HD2 LEU 154 1HD2 LEU 154 123.790 -6.086 2.330 568 2HD2 LEU 154 2HD2 LEU 154 125.260 -6.337 1.389 569 3HD2 LEU 154 3HD2 LEU 154 125.226 -5.119 2.664 570 H GLU 155 H GLU 155 129.929 -7.121 4.181 571 HA GLU 155 HA GLU 155 129.542 -7.453 7.021 572 1HB GLU 155 2HB GLU 155 131.696 -8.166 5.068 573 2HB GLU 155 1HB GLU 155 132.063 -8.165 6.788 574 1HG GLU 155 2HG GLU 155 129.760 -9.591 6.751 575 2HG GLU 155 1HG GLU 155 130.462 -10.034 5.195 576 H PHE 156 H PHE 156 131.199 -5.237 4.887 577 HA PHE 156 HA PHE 156 133.019 -4.042 6.580 578 1HB PHE 156 2HB PHE 156 132.145 -3.552 4.045 579 2HB PHE 156 1HB PHE 156 131.502 -2.153 4.898 580 HD1 PHE 156 HD1 PHE 156 133.762 -2.461 2.726 581 HD2 PHE 156 HD2 PHE 156 133.745 -1.920 6.947 582 HE1 PHE 156 HE1 PHE 156 135.966 -1.378 2.592 583 HE2 PHE 156 HE2 PHE 156 135.949 -0.835 6.820 584 HZ PHE 156 HZ PHE 156 137.062 -0.562 4.642 585 H MET 157 H MET 157 129.558 -3.853 6.627 586 HA MET 157 HA MET 157 129.489 -1.544 8.369 587 1HB MET 157 2HB MET 157 127.647 -2.823 6.672 588 2HB MET 157 1HB MET 157 127.018 -3.046 8.299 589 1HG MET 157 2HG MET 157 126.059 -1.058 7.859 590 2HG MET 157 1HG MET 157 127.609 -0.454 8.441 591 1HE MET 157 1HE MET 157 129.559 -0.043 7.052 592 2HE MET 157 2HE MET 157 129.489 0.747 5.478 593 3HE MET 157 3HE MET 157 129.567 -1.013 5.579 594 H LYS 158 H LYS 158 127.960 -4.723 8.792 595 HA LYS 158 HA LYS 158 127.959 -4.599 11.599 596 1HB LYS 158 2HB LYS 158 126.750 -6.184 9.762 597 2HB LYS 158 1HB LYS 158 127.972 -7.288 10.377 598 1HG LYS 158 2HG LYS 158 126.294 -5.776 12.315 599 2HG LYS 158 1HG LYS 158 125.599 -7.161 11.469 600 1HD LYS 158 2HD LYS 158 126.478 -8.316 13.199 601 2HD LYS 158 1HD LYS 158 127.958 -8.209 12.246 602 1HE LYS 158 2HE LYS 158 128.224 -7.586 14.651 603 2HE LYS 158 1HE LYS 158 128.726 -6.339 13.512 604 1HZ LYS 158 1HZ LYS 158 127.163 -5.839 15.575 605 2HZ LYS 158 2HZ LYS 158 125.967 -6.234 14.446 606 3HZ LYS 158 3HZ LYS 158 127.050 -4.975 14.124 607 H GLY 159 H GLY 159 130.319 -3.877 11.640 608 1HA GLY 159 2HA GLY 159 132.092 -4.832 13.065 609 2HA GLY 159 1HA GLY 159 132.025 -6.258 12.040 610 H VAL 160 H VAL 160 133.009 -2.899 12.228 611 HA VAL 160 HA VAL 160 134.372 -3.055 9.658 612 HB VAL 160 HB VAL 160 134.513 -0.716 11.542 613 1HG1 VAL 160 1HG1 VAL 160 134.368 0.305 9.062 614 2HG1 VAL 160 2HG1 VAL 160 135.111 -1.254 8.703 615 3HG1 VAL 160 3HG1 VAL 160 135.885 -0.151 9.839 616 1HG2 VAL 160 1HG2 VAL 160 132.159 -1.745 10.154 617 2HG2 VAL 160 2HG2 VAL 160 132.523 -0.064 9.769 618 3HG2 VAL 160 3HG2 VAL 160 132.281 -0.552 11.447 619 H GLU 161 H GLU 161 135.291 -2.095 12.972 620 HA GLU 161 HA GLU 161 138.077 -2.329 12.465 621 1HB GLU 161 2HB GLU 161 136.716 -2.380 15.160 622 2HB GLU 161 1HB GLU 161 138.375 -1.910 14.811 623 1HG GLU 161 2HG GLU 161 137.320 -0.068 13.359 624 2HG GLU 161 1HG GLU 161 135.840 -0.428 14.246 Start of MODEL 15 1 1H MET 81 1HT MET 81 88.276 -15.838 7.448 2 2H MET 81 2HT MET 81 86.561 -15.891 7.453 3 3H MET 81 3HT MET 81 87.378 -14.435 7.849 4 HA MET 81 HA MET 81 87.080 -15.757 5.257 5 1HB MET 81 2HB MET 81 86.264 -13.568 4.610 6 2HB MET 81 1HB MET 81 85.413 -14.104 6.051 7 1HG MET 81 2HG MET 81 87.622 -12.670 6.981 8 2HG MET 81 1HG MET 81 86.992 -11.741 5.623 9 1HE MET 81 1HE MET 81 84.435 -12.968 9.265 10 2HE MET 81 2HE MET 81 86.118 -13.444 9.046 11 3HE MET 81 3HE MET 81 84.872 -14.088 7.976 12 H VAL 82 H VAL 82 89.218 -13.834 7.231 13 HA VAL 82 HA VAL 82 91.159 -13.813 5.022 14 HB VAL 82 HB VAL 82 90.833 -11.531 6.969 15 1HG1 VAL 82 1HG1 VAL 82 92.428 -11.764 4.420 16 2HG1 VAL 82 2HG1 VAL 82 93.088 -11.840 6.054 17 3HG1 VAL 82 3HG1 VAL 82 92.343 -10.351 5.473 18 1HG2 VAL 82 1HG2 VAL 82 89.514 -12.084 4.388 19 2HG2 VAL 82 2HG2 VAL 82 90.157 -10.456 4.598 20 3HG2 VAL 82 3HG2 VAL 82 88.982 -11.094 5.748 21 H ARG 83 H ARG 83 93.329 -14.012 5.615 22 HA ARG 83 HA ARG 83 94.267 -13.994 8.276 23 1HB ARG 83 2HB ARG 83 92.790 -16.218 7.868 24 2HB ARG 83 1HB ARG 83 94.358 -16.796 7.320 25 1HG ARG 83 2HG ARG 83 95.242 -16.782 9.397 26 2HG ARG 83 1HG ARG 83 94.327 -15.358 9.896 27 1HD ARG 83 2HD ARG 83 93.375 -17.038 11.172 28 2HD ARG 83 1HD ARG 83 92.280 -16.941 9.793 29 HE ARG 83 HE ARG 83 94.289 -18.849 9.279 30 1HH1 ARG 83 1HH1 ARG 83 91.445 -18.378 11.246 31 2HH1 ARG 83 2HH1 ARG 83 91.079 -20.068 11.343 32 1HH2 ARG 83 1HH2 ARG 83 93.810 -21.072 9.405 33 2HH2 ARG 83 2HH2 ARG 83 92.422 -21.597 10.299 34 H CYS 84 H CYS 84 96.474 -14.046 8.348 35 HA CYS 84 HA CYS 84 98.617 -13.945 7.592 36 1HB CYS 84 2HB CYS 84 97.776 -16.418 6.942 37 2HB CYS 84 1HB CYS 84 98.125 -15.802 5.331 38 HG CYS 84 HG CYS 84 100.313 -16.828 6.097 39 H MET 85 H MET 85 99.990 -13.358 5.686 40 HA MET 85 HA MET 85 98.448 -11.944 3.619 41 1HB MET 85 2HB MET 85 100.150 -10.802 5.656 42 2HB MET 85 1HB MET 85 100.780 -10.435 4.056 43 1HG MET 85 2HG MET 85 97.882 -10.036 4.496 44 2HG MET 85 1HG MET 85 98.989 -8.909 5.279 45 1HE MET 85 1HE MET 85 98.616 -10.234 1.137 46 2HE MET 85 2HE MET 85 97.339 -9.025 1.279 47 3HE MET 85 3HE MET 85 97.414 -10.367 2.421 48 H LYS 86 H LYS 86 99.799 -14.512 3.549 49 HA LYS 86 HA LYS 86 101.036 -15.714 2.064 50 1HB LYS 86 2HB LYS 86 100.427 -13.296 0.677 51 2HB LYS 86 1HB LYS 86 102.090 -13.732 0.307 52 1HG LYS 86 2HG LYS 86 101.491 -15.541 -0.888 53 2HG LYS 86 1HG LYS 86 100.138 -15.932 0.176 54 1HD LYS 86 2HD LYS 86 99.266 -15.305 -1.972 55 2HD LYS 86 1HD LYS 86 98.885 -14.027 -0.818 56 1HE LYS 86 2HE LYS 86 101.295 -13.197 -1.774 57 2HE LYS 86 1HE LYS 86 100.604 -13.980 -3.196 58 1HZ LYS 86 1HZ LYS 86 98.669 -12.349 -1.917 59 2HZ LYS 86 2HZ LYS 86 99.257 -12.263 -3.500 60 3HZ LYS 86 3HZ LYS 86 100.058 -11.443 -2.257 61 H ASP 87 H ASP 87 102.745 -12.582 2.092 62 HA ASP 87 HA ASP 87 105.060 -13.966 3.276 63 1HB ASP 87 2HB ASP 87 105.009 -13.077 0.707 64 2HB ASP 87 1HB ASP 87 105.640 -11.655 1.533 65 H ASP 88 H ASP 88 106.704 -11.705 3.493 66 HA ASP 88 HA ASP 88 105.181 -9.955 5.305 67 1HB ASP 88 2HB ASP 88 107.086 -9.947 6.856 68 2HB ASP 88 1HB ASP 88 106.453 -11.576 6.637 69 H SER 89 H SER 89 105.566 -7.820 5.112 70 HA SER 89 HA SER 89 107.805 -6.988 3.387 71 1HB SER 89 2HB SER 89 104.943 -6.455 3.149 72 2HB SER 89 1HB SER 89 105.909 -4.980 3.143 73 HG SER 89 HG SER 89 105.521 -6.173 1.062 74 H LYS 90 H LYS 90 109.107 -6.596 5.221 75 HA LYS 90 HA LYS 90 108.204 -4.665 7.189 76 1HB LYS 90 2HB LYS 90 109.965 -6.784 7.276 77 2HB LYS 90 1HB LYS 90 111.040 -5.394 7.240 78 1HG LYS 90 2HG LYS 90 109.593 -4.463 9.135 79 2HG LYS 90 1HG LYS 90 108.966 -6.108 9.279 80 1HD LYS 90 2HD LYS 90 111.660 -6.541 9.187 81 2HD LYS 90 1HD LYS 90 111.571 -5.006 10.053 82 1HE LYS 90 2HE LYS 90 111.505 -6.742 11.681 83 2HE LYS 90 1HE LYS 90 109.879 -6.067 11.570 84 1HZ LYS 90 1HZ LYS 90 110.853 -8.621 10.422 85 2HZ LYS 90 2HZ LYS 90 109.361 -7.938 10.020 86 3HZ LYS 90 3HZ LYS 90 109.671 -8.409 11.614 87 H GLY 91 H GLY 91 110.518 -3.267 7.745 88 1HA GLY 91 2HA GLY 91 110.704 -1.547 5.360 89 2HA GLY 91 1HA GLY 91 110.900 -0.998 7.016 90 H LYS 92 H LYS 92 112.907 -0.715 7.725 91 HA LYS 92 HA LYS 92 115.141 -1.139 6.058 92 1HB LYS 92 2HB LYS 92 114.922 0.609 7.855 93 2HB LYS 92 1HB LYS 92 115.186 -0.664 9.038 94 1HG LYS 92 2HG LYS 92 117.385 -1.103 8.104 95 2HG LYS 92 1HG LYS 92 117.120 0.130 6.871 96 1HD LYS 92 2HD LYS 92 118.161 1.495 8.323 97 2HD LYS 92 1HD LYS 92 116.601 1.528 9.147 98 1HE LYS 92 2HE LYS 92 117.863 0.908 10.921 99 2HE LYS 92 1HE LYS 92 117.628 -0.697 10.232 100 1HZ LYS 92 1HZ LYS 92 119.788 0.090 8.905 101 2HZ LYS 92 2HZ LYS 92 119.860 -0.745 10.374 102 3HZ LYS 92 3HZ LYS 92 120.025 0.939 10.350 103 H THR 93 H THR 93 115.400 -3.275 5.494 104 HA THR 93 HA THR 93 115.954 -5.149 7.694 105 HB THR 93 HB THR 93 115.028 -5.681 4.865 106 HG1 THR 93 HG1 THR 93 113.143 -5.797 5.746 107 1HG2 THR 93 1HG2 THR 93 114.733 -8.053 6.040 108 2HG2 THR 93 2HG2 THR 93 116.193 -7.509 6.866 109 3HG2 THR 93 3HG2 THR 93 116.163 -7.614 5.105 110 H GLU 94 H GLU 94 116.898 -5.874 4.407 111 HA GLU 94 HA GLU 94 119.707 -5.670 5.247 112 1HB GLU 94 2HB GLU 94 118.190 -7.607 3.627 113 2HB GLU 94 1HB GLU 94 119.759 -7.169 2.965 114 1HG GLU 94 2HG GLU 94 120.787 -7.760 5.139 115 2HG GLU 94 1HG GLU 94 119.208 -8.314 5.691 116 H GLU 95 H GLU 95 118.023 -5.649 2.107 117 HA GLU 95 HA GLU 95 119.783 -4.262 0.600 118 1HB GLU 95 2HB GLU 95 116.968 -4.828 0.477 119 2HB GLU 95 1HB GLU 95 117.269 -3.207 -0.135 120 1HG GLU 95 2HG GLU 95 119.226 -4.988 -1.203 121 2HG GLU 95 1HG GLU 95 117.618 -5.666 -1.456 122 H GLU 96 H GLU 96 117.778 -2.952 3.117 123 HA GLU 96 HA GLU 96 117.718 -0.263 2.508 124 1HB GLU 96 2HB GLU 96 117.707 0.123 4.985 125 2HB GLU 96 1HB GLU 96 116.537 -1.062 4.426 126 1HG GLU 96 2HG GLU 96 117.429 -2.026 6.332 127 2HG GLU 96 1HG GLU 96 118.310 -2.810 5.023 128 H LEU 97 H LEU 97 120.436 -2.201 3.463 129 HA LEU 97 HA LEU 97 122.101 0.133 3.990 130 1HB LEU 97 2HB LEU 97 122.265 -2.749 4.524 131 2HB LEU 97 1HB LEU 97 123.788 -2.025 4.046 132 HG LEU 97 HG LEU 97 122.091 -0.973 6.306 133 1HD1 LEU 97 1HD1 LEU 97 124.610 -2.406 6.863 134 2HD1 LEU 97 2HD1 LEU 97 123.232 -3.396 6.385 135 3HD1 LEU 97 3HD1 LEU 97 123.110 -2.337 7.790 136 1HD2 LEU 97 1HD2 LEU 97 124.912 -0.436 5.398 137 2HD2 LEU 97 2HD2 LEU 97 124.252 0.100 6.943 138 3HD2 LEU 97 3HD2 LEU 97 123.562 0.697 5.434 139 H SER 98 H SER 98 121.257 -1.870 1.372 140 HA SER 98 HA SER 98 123.709 -1.678 -0.088 141 1HB SER 98 2HB SER 98 121.894 -3.452 -0.382 142 2HB SER 98 1HB SER 98 120.984 -2.227 -1.267 143 HG SER 98 HG SER 98 123.649 -2.902 -1.936 144 H ASP 99 H ASP 99 120.946 0.349 0.355 145 HA ASP 99 HA ASP 99 120.892 1.830 -1.983 146 1HB ASP 99 2HB ASP 99 120.017 2.211 0.785 147 2HB ASP 99 1HB ASP 99 120.393 3.722 -0.038 148 H LEU 100 H LEU 100 122.936 2.283 0.876 149 HA LEU 100 HA LEU 100 124.232 4.612 -0.115 150 1HB LEU 100 2HB LEU 100 125.430 2.764 1.922 151 2HB LEU 100 1HB LEU 100 125.597 4.503 1.788 152 HG LEU 100 HG LEU 100 124.188 4.418 3.568 153 1HD1 LEU 100 1HD1 LEU 100 121.906 4.003 1.724 154 2HD1 LEU 100 2HD1 LEU 100 123.001 5.345 1.395 155 3HD1 LEU 100 3HD1 LEU 100 122.167 5.247 2.946 156 1HD2 LEU 100 1HD2 LEU 100 122.361 2.276 2.780 157 2HD2 LEU 100 2HD2 LEU 100 123.174 2.572 4.316 158 3HD2 LEU 100 3HD2 LEU 100 124.032 1.761 3.008 159 H PHE 101 H PHE 101 124.542 1.334 -0.928 160 HA PHE 101 HA PHE 101 127.332 1.248 -1.459 161 1HB PHE 101 2HB PHE 101 125.963 -0.791 -1.181 162 2HB PHE 101 1HB PHE 101 125.118 -0.416 -2.677 163 HD1 PHE 101 HD1 PHE 101 125.687 -2.302 -3.955 164 HD2 PHE 101 HD2 PHE 101 128.743 -0.019 -2.071 165 HE1 PHE 101 HE1 PHE 101 127.391 -3.540 -5.226 166 HE2 PHE 101 HE2 PHE 101 130.452 -1.255 -3.337 167 HZ PHE 101 HZ PHE 101 129.778 -3.016 -4.917 168 H ARG 102 H ARG 102 124.496 1.824 -3.537 169 HA ARG 102 HA ARG 102 125.939 2.150 -5.930 170 1HB ARG 102 2HB ARG 102 123.918 3.126 -6.831 171 2HB ARG 102 1HB ARG 102 123.491 1.761 -5.807 172 1HG ARG 102 2HG ARG 102 122.033 3.118 -4.829 173 2HG ARG 102 1HG ARG 102 123.420 3.905 -4.075 174 1HD ARG 102 2HD ARG 102 122.439 5.721 -5.044 175 2HD ARG 102 1HD ARG 102 123.476 5.208 -6.374 176 HE ARG 102 HE ARG 102 121.067 3.896 -6.707 177 1HH1 ARG 102 1HH1 ARG 102 122.188 7.199 -6.615 178 2HH1 ARG 102 2HH1 ARG 102 120.955 7.779 -7.686 179 1HH2 ARG 102 1HH2 ARG 102 119.445 4.656 -8.114 180 2HH2 ARG 102 2HH2 ARG 102 119.398 6.336 -8.536 181 H MET 103 H MET 103 125.208 4.332 -3.304 182 HA MET 103 HA MET 103 125.726 6.777 -4.564 183 1HB MET 103 2HB MET 103 126.173 5.960 -1.688 184 2HB MET 103 1HB MET 103 126.207 7.617 -2.272 185 1HG MET 103 2HG MET 103 123.781 6.208 -3.028 186 2HG MET 103 1HG MET 103 124.019 6.280 -1.285 187 1HE MET 103 1HE MET 103 121.370 9.003 -2.255 188 2HE MET 103 2HE MET 103 121.620 7.258 -2.303 189 3HE MET 103 3HE MET 103 121.878 8.227 -3.755 190 H PHE 104 H PHE 104 127.881 4.400 -3.121 191 HA PHE 104 HA PHE 104 130.222 6.034 -3.312 192 1HB PHE 104 2HB PHE 104 129.650 3.190 -2.621 193 2HB PHE 104 1HB PHE 104 131.296 3.619 -3.072 194 HD1 PHE 104 HD1 PHE 104 132.534 3.562 -1.125 195 HD2 PHE 104 HD2 PHE 104 128.757 5.523 -1.130 196 HE1 PHE 104 HE1 PHE 104 132.951 4.365 1.163 197 HE2 PHE 104 HE2 PHE 104 129.169 6.331 1.158 198 HZ PHE 104 HZ PHE 104 131.268 5.751 2.307 199 H ASP 105 H ASP 105 128.433 4.200 -5.560 200 HA ASP 105 HA ASP 105 130.703 3.772 -7.336 201 1HB ASP 105 2HB ASP 105 128.135 2.551 -6.976 202 2HB ASP 105 1HB ASP 105 128.261 3.126 -8.635 203 H LYS 106 H LYS 106 130.930 4.748 -9.348 204 HA LYS 106 HA LYS 106 129.340 7.200 -9.708 205 1HB LYS 106 2HB LYS 106 132.204 6.534 -10.268 206 2HB LYS 106 1HB LYS 106 131.407 7.783 -11.217 207 1HG LYS 106 2HG LYS 106 131.264 7.884 -8.240 208 2HG LYS 106 1HG LYS 106 132.733 8.406 -9.068 209 1HD LYS 106 2HD LYS 106 131.757 10.264 -9.902 210 2HD LYS 106 1HD LYS 106 130.211 9.457 -10.171 211 1HE LYS 106 2HE LYS 106 131.236 10.262 -7.454 212 2HE LYS 106 1HE LYS 106 130.176 11.270 -8.439 213 1HZ LYS 106 1HZ LYS 106 129.298 8.533 -8.007 214 2HZ LYS 106 2HZ LYS 106 128.403 9.968 -8.021 215 3HZ LYS 106 3HZ LYS 106 129.285 9.534 -6.643 216 H ASN 107 H ASN 107 130.663 4.374 -11.334 217 HA ASN 107 HA ASN 107 129.255 5.119 -13.797 218 1HB ASN 107 2HB ASN 107 130.558 3.288 -14.842 219 2HB ASN 107 1HB ASN 107 131.584 4.509 -14.097 220 1HD2 ASN 107 1HD2 ASN 107 131.786 1.520 -14.704 221 2HD2 ASN 107 2HD2 ASN 107 132.395 0.852 -13.233 222 H ALA 108 H ALA 108 128.453 3.580 -11.064 223 HA ALA 108 HA ALA 108 127.004 1.922 -10.460 224 1HB ALA 108 1HB ALA 108 125.096 1.699 -12.280 225 2HB ALA 108 2HB ALA 108 125.861 3.162 -12.905 226 3HB ALA 108 3HB ALA 108 125.240 3.126 -11.254 227 H ASP 109 H ASP 109 129.101 0.598 -11.107 228 HA ASP 109 HA ASP 109 128.388 -1.364 -13.176 229 1HB ASP 109 2HB ASP 109 130.765 -2.022 -13.118 230 2HB ASP 109 1HB ASP 109 130.565 -0.313 -13.492 231 H GLY 110 H GLY 110 128.314 -0.954 -9.850 232 1HA GLY 110 2HA GLY 110 127.386 -2.619 -8.425 233 2HA GLY 110 1HA GLY 110 128.047 -3.854 -9.487 234 H TYR 111 H TYR 111 130.613 -2.089 -9.421 235 HA TYR 111 HA TYR 111 131.552 -2.940 -6.767 236 1HB TYR 111 2HB TYR 111 133.188 -3.178 -9.297 237 2HB TYR 111 1HB TYR 111 133.602 -3.779 -7.695 238 HD1 TYR 111 HD1 TYR 111 132.270 -5.684 -6.731 239 HD2 TYR 111 HD2 TYR 111 131.908 -4.481 -10.795 240 HE1 TYR 111 HE1 TYR 111 131.246 -7.853 -7.275 241 HE2 TYR 111 HE2 TYR 111 130.881 -6.646 -11.351 242 HH TYR 111 HH TYR 111 129.592 -8.447 -10.102 243 H ILE 112 H ILE 112 133.441 -1.783 -5.992 244 HA ILE 112 HA ILE 112 133.680 0.900 -7.193 245 HB ILE 112 HB ILE 112 134.010 0.226 -4.269 246 1HG1 ILE 112 2HG1 ILE 112 131.722 1.817 -5.377 247 2HG1 ILE 112 1HG1 ILE 112 131.641 0.058 -5.382 248 1HG2 ILE 112 1HG2 ILE 112 134.389 2.649 -5.903 249 2HG2 ILE 112 2HG2 ILE 112 135.157 2.165 -4.390 250 3HG2 ILE 112 3HG2 ILE 112 133.543 2.876 -4.372 251 1HD1 ILE 112 1HD1 ILE 112 131.935 0.027 -2.971 252 2HD1 ILE 112 2HD1 ILE 112 130.545 1.009 -3.429 253 3HD1 ILE 112 3HD1 ILE 112 132.056 1.785 -2.955 254 H ASP 113 H ASP 113 135.685 1.735 -7.513 255 HA ASP 113 HA ASP 113 137.963 0.010 -6.794 256 1HB ASP 113 2HB ASP 113 139.103 0.954 -8.796 257 2HB ASP 113 1HB ASP 113 137.653 0.038 -9.193 258 H LEU 114 H LEU 114 140.081 1.542 -7.170 259 HA LEU 114 HA LEU 114 139.971 3.374 -4.988 260 1HB LEU 114 2HB LEU 114 142.222 2.973 -6.952 261 2HB LEU 114 1HB LEU 114 142.333 3.682 -5.352 262 HG LEU 114 HG LEU 114 141.447 0.838 -5.727 263 1HD1 LEU 114 1HD1 LEU 114 144.284 1.795 -5.387 264 2HD1 LEU 114 2HD1 LEU 114 143.607 1.109 -6.864 265 3HD1 LEU 114 3HD1 LEU 114 143.737 0.118 -5.411 266 1HD2 LEU 114 1HD2 LEU 114 141.014 1.541 -3.549 267 2HD2 LEU 114 2HD2 LEU 114 142.484 2.512 -3.468 268 3HD2 LEU 114 3HD2 LEU 114 142.586 0.751 -3.423 269 H GLU 115 H GLU 115 139.706 3.652 -8.428 270 HA GLU 115 HA GLU 115 140.401 6.415 -8.608 271 1HB GLU 115 2HB GLU 115 140.416 4.689 -10.488 272 2HB GLU 115 1HB GLU 115 138.671 4.898 -10.554 273 1HG GLU 115 2HG GLU 115 139.447 7.466 -10.687 274 2HG GLU 115 1HG GLU 115 140.834 6.685 -11.447 275 H GLU 116 H GLU 116 137.383 4.632 -8.208 276 HA GLU 116 HA GLU 116 135.767 7.016 -8.414 277 1HB GLU 116 2HB GLU 116 135.278 4.114 -8.072 278 2HB GLU 116 1HB GLU 116 134.062 5.192 -7.402 279 1HG GLU 116 2HG GLU 116 133.211 4.933 -9.482 280 2HG GLU 116 1HG GLU 116 134.262 6.317 -9.782 281 H LEU 117 H LEU 117 136.725 4.778 -5.834 282 HA LEU 117 HA LEU 117 135.338 5.843 -3.710 283 1HB LEU 117 2HB LEU 117 136.776 3.792 -3.703 284 2HB LEU 117 1HB LEU 117 138.177 4.838 -3.575 285 HG LEU 117 HG LEU 117 137.374 5.674 -1.417 286 1HD1 LEU 117 1HD1 LEU 117 135.468 4.430 -0.341 287 2HD1 LEU 117 2HD1 LEU 117 135.074 3.809 -1.942 288 3HD1 LEU 117 3HD1 LEU 117 135.021 5.544 -1.633 289 1HD2 LEU 117 1HD2 LEU 117 138.778 3.983 -0.898 290 2HD2 LEU 117 2HD2 LEU 117 137.941 2.825 -1.933 291 3HD2 LEU 117 3HD2 LEU 117 137.295 3.212 -0.338 292 H LYS 118 H LYS 118 138.067 7.192 -5.377 293 HA LYS 118 HA LYS 118 138.691 9.084 -3.285 294 1HB LYS 118 2HB LYS 118 140.353 9.956 -4.829 295 2HB LYS 118 1HB LYS 118 140.455 8.203 -4.757 296 1HG LYS 118 2HG LYS 118 139.961 7.968 -6.923 297 2HG LYS 118 1HG LYS 118 138.695 9.194 -6.867 298 1HD LYS 118 2HD LYS 118 140.074 10.826 -7.571 299 2HD LYS 118 1HD LYS 118 141.424 10.240 -6.597 300 1HE LYS 118 2HE LYS 118 140.523 8.789 -9.062 301 2HE LYS 118 1HE LYS 118 141.641 10.148 -9.155 302 1HZ LYS 118 1HZ LYS 118 142.051 7.483 -7.999 303 2HZ LYS 118 2HZ LYS 118 142.904 8.788 -7.346 304 3HZ LYS 118 3HZ LYS 118 143.080 8.399 -8.982 305 H ILE 119 H ILE 119 136.711 8.984 -6.141 306 HA ILE 119 HA ILE 119 136.449 11.786 -6.520 307 HB ILE 119 HB ILE 119 134.516 9.608 -7.324 308 1HG1 ILE 119 2HG1 ILE 119 136.604 10.887 -9.079 309 2HG1 ILE 119 1HG1 ILE 119 136.963 9.455 -8.119 310 1HG2 ILE 119 1HG2 ILE 119 134.639 12.516 -7.801 311 2HG2 ILE 119 2HG2 ILE 119 133.254 11.424 -7.775 312 3HG2 ILE 119 3HG2 ILE 119 134.278 11.517 -9.209 313 1HD1 ILE 119 1HD1 ILE 119 134.676 8.698 -9.363 314 2HD1 ILE 119 2HD1 ILE 119 136.305 8.352 -9.944 315 3HD1 ILE 119 3HD1 ILE 119 135.417 9.735 -10.582 316 H MET 120 H MET 120 134.231 9.398 -5.068 317 HA MET 120 HA MET 120 132.305 11.221 -4.196 318 1HB MET 120 2HB MET 120 131.665 9.413 -2.570 319 2HB MET 120 1HB MET 120 131.766 8.898 -4.248 320 1HG MET 120 2HG MET 120 133.484 7.505 -3.859 321 2HG MET 120 1HG MET 120 134.229 8.580 -2.676 322 1HE MET 120 1HE MET 120 134.767 7.219 -0.556 323 2HE MET 120 2HE MET 120 133.432 7.095 0.589 324 3HE MET 120 3HE MET 120 133.768 8.629 -0.211 325 H LEU 121 H LEU 121 135.448 10.574 -2.960 326 HA LEU 121 HA LEU 121 134.885 11.567 -0.305 327 1HB LEU 121 2HB LEU 121 137.317 10.572 -1.730 328 2HB LEU 121 1HB LEU 121 137.505 11.495 -0.251 329 HG LEU 121 HG LEU 121 135.981 8.906 -0.536 330 1HD1 LEU 121 1HD1 LEU 121 138.273 9.119 1.288 331 2HD1 LEU 121 2HD1 LEU 121 138.667 9.203 -0.430 332 3HD1 LEU 121 3HD1 LEU 121 137.794 7.810 0.206 333 1HD2 LEU 121 1HD2 LEU 121 136.247 9.243 2.103 334 2HD2 LEU 121 2HD2 LEU 121 134.841 9.807 1.200 335 3HD2 LEU 121 3HD2 LEU 121 136.135 10.933 1.611 336 H GLN 122 H GLN 122 136.569 12.729 -3.203 337 HA GLN 122 HA GLN 122 137.475 15.154 -2.087 338 1HB GLN 122 2HB GLN 122 137.624 15.906 -4.488 339 2HB GLN 122 1HB GLN 122 138.489 14.424 -4.108 340 1HG GLN 122 2HG GLN 122 136.776 13.096 -5.114 341 2HG GLN 122 1HG GLN 122 135.752 14.512 -5.344 342 1HE2 GLN 122 1HE2 GLN 122 136.947 16.320 -6.588 343 2HE2 GLN 122 2HE2 GLN 122 137.765 15.806 -8.022 344 H ALA 123 H ALA 123 134.538 14.291 -3.833 345 HA ALA 123 HA ALA 123 133.413 16.801 -4.169 346 1HB ALA 123 1HB ALA 123 131.562 15.703 -4.845 347 2HB ALA 123 2HB ALA 123 131.538 14.651 -3.429 348 3HB ALA 123 3HB ALA 123 132.629 14.299 -4.770 349 H THR 124 H THR 124 133.635 14.828 -1.290 350 HA THR 124 HA THR 124 131.655 16.000 0.280 351 HB THR 124 HB THR 124 132.762 15.081 2.166 352 HG1 THR 124 HG1 THR 124 134.915 14.692 2.244 353 1HG2 THR 124 1HG2 THR 124 133.999 13.019 0.705 354 2HG2 THR 124 2HG2 THR 124 132.580 13.529 -0.211 355 3HG2 THR 124 3HG2 THR 124 132.410 13.018 1.469 356 H GLY 125 H GLY 125 132.730 17.089 2.519 357 1HA GLY 125 2HA GLY 125 133.611 19.700 1.518 358 2HA GLY 125 1HA GLY 125 132.891 19.390 3.089 359 H GLU 126 H GLU 126 134.879 16.969 3.125 360 HA GLU 126 HA GLU 126 137.065 18.537 4.290 361 1HB GLU 126 2HB GLU 126 137.677 16.275 5.319 362 2HB GLU 126 1HB GLU 126 136.222 17.064 5.910 363 1HG GLU 126 2HG GLU 126 134.832 15.617 4.600 364 2HG GLU 126 1HG GLU 126 136.241 14.911 3.811 365 H THR 127 H THR 127 139.205 17.074 4.260 366 HA THR 127 HA THR 127 139.648 16.308 1.447 367 HB THR 127 HB THR 127 142.113 17.035 2.138 368 HG1 THR 127 HG1 THR 127 142.111 18.722 3.566 369 1HG2 THR 127 1HG2 THR 127 140.759 18.020 0.304 370 2HG2 THR 127 2HG2 THR 127 141.796 19.174 1.142 371 3HG2 THR 127 3HG2 THR 127 140.066 19.135 1.481 372 H ILE 128 H ILE 128 140.053 14.216 1.256 373 HA ILE 128 HA ILE 128 141.269 12.785 3.517 374 HB ILE 128 HB ILE 128 139.890 11.559 1.133 375 1HG1 ILE 128 2HG1 ILE 128 138.340 13.028 2.383 376 2HG1 ILE 128 1HG1 ILE 128 137.907 11.329 2.530 377 1HG2 ILE 128 1HG2 ILE 128 140.589 10.454 3.850 378 2HG2 ILE 128 2HG2 ILE 128 141.409 10.080 2.332 379 3HG2 ILE 128 3HG2 ILE 128 139.731 9.589 2.574 380 1HD1 ILE 128 1HD1 ILE 128 137.641 12.251 4.668 381 2HD1 ILE 128 2HD1 ILE 128 139.180 13.107 4.580 382 3HD1 ILE 128 3HD1 ILE 128 139.155 11.349 4.730 383 H THR 129 H THR 129 143.090 11.537 3.271 384 HA THR 129 HA THR 129 144.795 12.216 1.039 385 HB THR 129 HB THR 129 146.437 10.719 2.314 386 HG1 THR 129 HG1 THR 129 144.643 9.684 3.496 387 1HG2 THR 129 1HG2 THR 129 145.542 12.779 4.225 388 2HG2 THR 129 2HG2 THR 129 145.978 13.321 2.605 389 3HG2 THR 129 3HG2 THR 129 147.148 12.438 3.584 390 H GLU 130 H GLU 130 146.296 10.119 0.452 391 HA GLU 130 HA GLU 130 144.513 8.439 -1.061 392 1HB GLU 130 2HB GLU 130 147.528 8.430 -0.826 393 2HB GLU 130 1HB GLU 130 146.604 7.455 -1.961 394 1HG GLU 130 2HG GLU 130 145.737 9.513 -2.988 395 2HG GLU 130 1HG GLU 130 146.726 10.461 -1.880 396 H ASP 131 H ASP 131 146.816 8.002 1.596 397 HA ASP 131 HA ASP 131 146.705 5.239 1.842 398 1HB ASP 131 2HB ASP 131 147.332 7.490 3.679 399 2HB ASP 131 1HB ASP 131 147.012 5.923 4.417 400 H ASP 132 H ASP 132 144.574 7.700 3.238 401 HA ASP 132 HA ASP 132 143.010 6.014 4.828 402 1HB ASP 132 2HB ASP 132 142.593 8.692 3.569 403 2HB ASP 132 1HB ASP 132 141.206 7.870 4.277 404 H ILE 133 H ILE 133 142.847 6.763 1.402 405 HA ILE 133 HA ILE 133 140.319 5.499 0.968 406 HB ILE 133 HB ILE 133 142.455 6.069 -1.087 407 1HG1 ILE 133 2HG1 ILE 133 140.134 7.870 -0.424 408 2HG1 ILE 133 1HG1 ILE 133 141.686 8.035 0.392 409 1HG2 ILE 133 1HG2 ILE 133 140.648 6.063 -2.678 410 2HG2 ILE 133 2HG2 ILE 133 139.466 5.826 -1.390 411 3HG2 ILE 133 3HG2 ILE 133 140.625 4.551 -1.770 412 1HD1 ILE 133 1HD1 ILE 133 142.231 7.931 -2.364 413 2HD1 ILE 133 2HD1 ILE 133 142.377 9.309 -1.272 414 3HD1 ILE 133 3HD1 ILE 133 140.870 9.033 -2.148 415 H GLU 134 H GLU 134 143.628 4.585 -0.023 416 HA GLU 134 HA GLU 134 143.009 2.027 -0.932 417 1HB GLU 134 2HB GLU 134 145.533 3.257 0.142 418 2HB GLU 134 1HB GLU 134 145.485 1.565 -0.333 419 1HG GLU 134 2HG GLU 134 145.372 2.041 -2.537 420 2HG GLU 134 1HG GLU 134 144.440 3.516 -2.286 421 H GLU 135 H GLU 135 143.568 3.211 2.306 422 HA GLU 135 HA GLU 135 143.954 0.702 3.562 423 1HB GLU 135 2HB GLU 135 143.264 3.457 4.487 424 2HB GLU 135 1HB GLU 135 143.046 2.116 5.602 425 1HG GLU 135 2HG GLU 135 145.633 2.153 4.230 426 2HG GLU 135 1HG GLU 135 145.339 3.527 5.296 427 H LEU 136 H LEU 136 141.121 2.533 2.650 428 HA LEU 136 HA LEU 136 139.218 1.185 4.223 429 1HB LEU 136 2HB LEU 136 139.223 3.078 2.035 430 2HB LEU 136 1HB LEU 136 137.940 1.899 1.838 431 HG LEU 136 HG LEU 136 137.347 2.471 4.297 432 1HD1 LEU 136 1HD1 LEU 136 139.495 3.806 4.550 433 2HD1 LEU 136 2HD1 LEU 136 138.010 4.566 5.125 434 3HD1 LEU 136 3HD1 LEU 136 138.706 5.051 3.579 435 1HD2 LEU 136 1HD2 LEU 136 136.012 4.437 3.511 436 2HD2 LEU 136 2HD2 LEU 136 135.860 2.996 2.507 437 3HD2 LEU 136 3HD2 LEU 136 136.877 4.335 1.978 438 H MET 137 H MET 137 140.355 0.596 0.910 439 HA MET 137 HA MET 137 138.673 -1.537 0.283 440 1HB MET 137 2HB MET 137 141.513 -1.023 -0.619 441 2HB MET 137 1HB MET 137 140.418 -2.178 -1.364 442 1HG MET 137 2HG MET 137 139.020 0.238 -1.298 443 2HG MET 137 1HG MET 137 140.662 0.652 -1.785 444 1HE MET 137 1HE MET 137 137.503 0.081 -4.244 445 2HE MET 137 2HE MET 137 137.446 -0.180 -2.500 446 3HE MET 137 3HE MET 137 137.361 -1.555 -3.602 447 H LYS 138 H LYS 138 141.917 -1.577 1.737 448 HA LYS 138 HA LYS 138 142.270 -4.319 1.939 449 1HB LYS 138 2HB LYS 138 143.264 -1.995 3.549 450 2HB LYS 138 1HB LYS 138 143.626 -3.633 4.070 451 1HG LYS 138 2HG LYS 138 144.783 -4.097 2.027 452 2HG LYS 138 1HG LYS 138 144.279 -2.553 1.339 453 1HD LYS 138 2HD LYS 138 146.589 -2.444 2.107 454 2HD LYS 138 1HD LYS 138 145.562 -1.374 3.064 455 1HE LYS 138 2HE LYS 138 145.464 -3.032 4.843 456 2HE LYS 138 1HE LYS 138 146.437 -4.143 3.880 457 1HZ LYS 138 1HZ LYS 138 147.324 -1.493 4.891 458 2HZ LYS 138 2HZ LYS 138 148.259 -2.552 3.962 459 3HZ LYS 138 3HZ LYS 138 147.780 -2.996 5.522 460 H ASP 139 H ASP 139 140.186 -2.233 3.755 461 HA ASP 139 HA ASP 139 139.716 -4.283 5.783 462 1HB ASP 139 2HB ASP 139 139.190 -1.368 5.571 463 2HB ASP 139 1HB ASP 139 138.052 -2.317 6.524 464 H GLY 140 H GLY 140 138.430 -3.278 2.807 465 1HA GLY 140 2HA GLY 140 135.884 -4.638 3.441 466 2HA GLY 140 1HA GLY 140 135.977 -3.263 2.354 467 H ASP 141 H ASP 141 138.624 -5.392 2.086 468 HA ASP 141 HA ASP 141 137.409 -6.602 -0.311 469 1HB ASP 141 2HB ASP 141 139.457 -4.939 -0.436 470 2HB ASP 141 1HB ASP 141 140.375 -6.375 0.003 471 H LYS 142 H LYS 142 136.648 -8.451 0.706 472 HA LYS 142 HA LYS 142 138.422 -10.091 2.289 473 1HB LYS 142 2HB LYS 142 135.715 -10.902 1.245 474 2HB LYS 142 1HB LYS 142 136.553 -11.495 2.673 475 1HG LYS 142 2HG LYS 142 135.559 -8.672 2.366 476 2HG LYS 142 1HG LYS 142 134.643 -9.967 3.140 477 1HD LYS 142 2HD LYS 142 137.207 -10.008 4.298 478 2HD LYS 142 1HD LYS 142 136.720 -8.313 4.226 479 1HE LYS 142 2HE LYS 142 135.104 -10.564 5.419 480 2HE LYS 142 1HE LYS 142 136.033 -9.372 6.327 481 1HZ LYS 142 1HZ LYS 142 134.615 -7.637 5.341 482 2HZ LYS 142 2HZ LYS 142 133.737 -8.733 6.283 483 3HZ LYS 142 3HZ LYS 142 133.681 -8.836 4.597 484 H ASN 143 H ASN 143 137.006 -10.177 -0.948 485 HA ASN 143 HA ASN 143 138.263 -12.720 -1.542 486 1HB ASN 143 2HB ASN 143 137.243 -12.352 -3.817 487 2HB ASN 143 1HB ASN 143 136.092 -12.409 -2.485 488 1HD2 ASN 143 1HD2 ASN 143 134.614 -11.300 -3.838 489 2HD2 ASN 143 2HD2 ASN 143 134.736 -9.591 -4.064 490 H ASN 144 H ASN 144 139.267 -9.530 -1.531 491 HA ASN 144 HA ASN 144 140.921 -8.349 -2.574 492 1HB ASN 144 2HB ASN 144 142.041 -11.101 -2.162 493 2HB ASN 144 1HB ASN 144 143.019 -9.855 -2.932 494 1HD2 ASN 144 1HD2 ASN 144 143.827 -8.197 -1.730 495 2HD2 ASN 144 2HD2 ASN 144 143.707 -8.121 -0.009 496 H ASP 145 H ASP 145 138.977 -9.072 -4.423 497 HA ASP 145 HA ASP 145 140.290 -10.179 -6.752 498 1HB ASP 145 2HB ASP 145 138.100 -9.777 -7.863 499 2HB ASP 145 1HB ASP 145 137.967 -10.748 -6.399 500 H GLY 146 H GLY 146 140.561 -7.266 -5.348 501 1HA GLY 146 2HA GLY 146 141.792 -5.510 -6.386 502 2HA GLY 146 1HA GLY 146 141.094 -5.973 -7.929 503 H ARG 147 H ARG 147 138.521 -6.109 -5.999 504 HA ARG 147 HA ARG 147 137.973 -3.280 -5.737 505 1HB ARG 147 2HB ARG 147 136.358 -5.004 -7.624 506 2HB ARG 147 1HB ARG 147 135.945 -3.363 -7.144 507 1HG ARG 147 2HG ARG 147 138.276 -2.759 -8.088 508 2HG ARG 147 1HG ARG 147 138.156 -4.311 -8.916 509 1HD ARG 147 2HD ARG 147 135.714 -2.785 -9.170 510 2HD ARG 147 1HD ARG 147 137.103 -1.874 -9.756 511 HE ARG 147 HE ARG 147 137.006 -4.574 -10.728 512 1HH1 ARG 147 1HH1 ARG 147 135.901 -1.307 -11.258 513 2HH1 ARG 147 2HH1 ARG 147 135.633 -1.540 -12.953 514 1HH2 ARG 147 1HH2 ARG 147 136.653 -4.883 -12.957 515 2HH2 ARG 147 2HH2 ARG 147 136.059 -3.569 -13.917 516 H ILE 148 H ILE 148 135.728 -2.933 -4.837 517 HA ILE 148 HA ILE 148 135.110 -5.136 -2.985 518 HB ILE 148 HB ILE 148 134.688 -2.159 -2.697 519 1HG1 ILE 148 2HG1 ILE 148 136.311 -4.103 -1.042 520 2HG1 ILE 148 1HG1 ILE 148 136.979 -3.047 -2.282 521 1HG2 ILE 148 1HG2 ILE 148 134.096 -3.310 -0.258 522 2HG2 ILE 148 2HG2 ILE 148 133.302 -4.369 -1.423 523 3HG2 ILE 148 3HG2 ILE 148 132.939 -2.646 -1.410 524 1HD1 ILE 148 1HD1 ILE 148 135.398 -1.597 -0.333 525 2HD1 ILE 148 2HD1 ILE 148 137.045 -1.315 -0.897 526 3HD1 ILE 148 3HD1 ILE 148 136.743 -2.476 0.395 527 H ASP 149 H ASP 149 133.207 -6.106 -3.075 528 HA ASP 149 HA ASP 149 131.147 -4.985 -4.845 529 1HB ASP 149 2HB ASP 149 130.237 -7.296 -4.905 530 2HB ASP 149 1HB ASP 149 131.890 -7.196 -5.502 531 H TYR 150 H TYR 150 128.852 -5.751 -4.165 532 HA TYR 150 HA TYR 150 128.147 -4.417 -1.818 533 1HB TYR 150 2HB TYR 150 126.538 -4.740 -3.591 534 2HB TYR 150 1HB TYR 150 126.622 -6.489 -3.407 535 HD1 TYR 150 HD1 TYR 150 126.174 -3.684 -0.970 536 HD2 TYR 150 HD2 TYR 150 124.616 -7.289 -2.604 537 HE1 TYR 150 HE1 TYR 150 124.312 -3.599 0.633 538 HE2 TYR 150 HE2 TYR 150 122.749 -7.213 -1.006 539 HH TYR 150 HH TYR 150 121.564 -5.629 0.369 540 H ASP 151 H ASP 151 129.071 -7.736 -2.335 541 HA ASP 151 HA ASP 151 127.992 -8.808 0.053 542 1HB ASP 151 2HB ASP 151 129.895 -9.698 -2.029 543 2HB ASP 151 1HB ASP 151 130.056 -10.475 -0.458 544 H GLU 152 H GLU 152 131.376 -8.002 -0.749 545 HA GLU 152 HA GLU 152 132.205 -8.259 1.974 546 1HB GLU 152 2HB GLU 152 134.389 -7.490 1.163 547 2HB GLU 152 1HB GLU 152 133.736 -8.784 0.168 548 1HG GLU 152 2HG GLU 152 132.840 -6.841 -1.298 549 2HG GLU 152 1HG GLU 152 134.071 -5.893 -0.467 550 H PHE 153 H PHE 153 130.837 -5.680 0.176 551 HA PHE 153 HA PHE 153 132.008 -3.638 1.881 552 1HB PHE 153 2HB PHE 153 131.301 -3.530 -0.705 553 2HB PHE 153 1HB PHE 153 129.813 -2.930 0.014 554 HD1 PHE 153 HD1 PHE 153 129.864 -0.687 -0.655 555 HD2 PHE 153 HD2 PHE 153 133.267 -2.380 1.255 556 HE1 PHE 153 HE1 PHE 153 130.870 1.551 -0.471 557 HE2 PHE 153 HE2 PHE 153 134.276 -0.146 1.449 558 HZ PHE 153 HZ PHE 153 133.077 1.823 0.585 559 H LEU 154 H LEU 154 128.870 -5.203 1.411 560 HA LEU 154 HA LEU 154 127.323 -3.520 3.019 561 1HB LEU 154 2HB LEU 154 125.736 -5.280 3.164 562 2HB LEU 154 1HB LEU 154 126.455 -5.356 1.568 563 HG LEU 154 HG LEU 154 128.021 -7.142 2.678 564 1HD1 LEU 154 1HD1 LEU 154 125.813 -8.101 4.258 565 2HD1 LEU 154 2HD1 LEU 154 126.372 -6.534 4.845 566 3HD1 LEU 154 3HD1 LEU 154 127.503 -7.879 4.707 567 1HD2 LEU 154 1HD2 LEU 154 126.058 -7.297 0.926 568 2HD2 LEU 154 2HD2 LEU 154 125.249 -8.124 2.257 569 3HD2 LEU 154 3HD2 LEU 154 126.777 -8.744 1.632 570 H GLU 155 H GLU 155 129.261 -6.345 3.888 571 HA GLU 155 HA GLU 155 128.594 -6.388 6.626 572 1HB GLU 155 2HB GLU 155 130.576 -7.661 4.880 573 2HB GLU 155 1HB GLU 155 131.147 -7.414 6.523 574 1HG GLU 155 2HG GLU 155 128.896 -8.486 7.210 575 2HG GLU 155 1HG GLU 155 128.866 -9.075 5.547 576 H PHE 156 H PHE 156 130.838 -4.495 4.770 577 HA PHE 156 HA PHE 156 132.632 -3.630 6.684 578 1HB PHE 156 2HB PHE 156 132.208 -3.050 4.073 579 2HB PHE 156 1HB PHE 156 131.640 -1.559 4.814 580 HD1 PHE 156 HD1 PHE 156 134.158 -2.311 3.014 581 HD2 PHE 156 HD2 PHE 156 133.550 -1.466 7.140 582 HE1 PHE 156 HE1 PHE 156 136.476 -1.512 3.190 583 HE2 PHE 156 HE2 PHE 156 135.868 -0.666 7.322 584 HZ PHE 156 HZ PHE 156 137.333 -0.687 5.344 585 H MET 157 H MET 157 129.348 -2.501 6.052 586 HA MET 157 HA MET 157 129.580 -0.566 8.240 587 1HB MET 157 2HB MET 157 127.875 -0.816 5.844 588 2HB MET 157 1HB MET 157 127.059 -0.216 7.281 589 1HG MET 157 2HG MET 157 128.137 1.751 7.239 590 2HG MET 157 1HG MET 157 129.652 1.031 6.699 591 1HE MET 157 1HE MET 157 129.472 -0.357 4.425 592 2HE MET 157 2HE MET 157 130.333 1.070 3.844 593 3HE MET 157 3HE MET 157 128.958 0.438 2.937 594 H LYS 158 H LYS 158 128.807 -3.733 7.957 595 HA LYS 158 HA LYS 158 126.585 -3.653 9.865 596 1HB LYS 158 2HB LYS 158 127.051 -5.264 7.669 597 2HB LYS 158 1HB LYS 158 127.518 -6.295 9.013 598 1HG LYS 158 2HG LYS 158 124.914 -4.832 9.074 599 2HG LYS 158 1HG LYS 158 125.079 -6.333 8.160 600 1HD LYS 158 2HD LYS 158 125.059 -7.580 10.016 601 2HD LYS 158 1HD LYS 158 126.207 -6.521 10.837 602 1HE LYS 158 2HE LYS 158 124.586 -5.376 11.898 603 2HE LYS 158 1HE LYS 158 123.512 -5.402 10.501 604 1HZ LYS 158 1HZ LYS 158 123.922 -7.952 11.826 605 2HZ LYS 158 2HZ LYS 158 122.506 -7.271 11.200 606 3HZ LYS 158 3HZ LYS 158 123.072 -6.794 12.722 607 H GLY 159 H GLY 159 128.943 -2.760 10.899 608 1HA GLY 159 2HA GLY 159 129.743 -3.225 13.127 609 2HA GLY 159 1HA GLY 159 129.664 -4.941 12.746 610 H VAL 160 H VAL 160 131.760 -2.461 13.215 611 HA VAL 160 HA VAL 160 133.821 -3.803 11.607 612 HB VAL 160 HB VAL 160 134.318 -0.941 11.935 613 1HG1 VAL 160 1HG1 VAL 160 134.145 -2.177 9.266 614 2HG1 VAL 160 2HG1 VAL 160 135.290 -2.916 10.386 615 3HG1 VAL 160 3HG1 VAL 160 135.426 -1.203 9.991 616 1HG2 VAL 160 1HG2 VAL 160 131.934 -1.826 10.314 617 2HG2 VAL 160 2HG2 VAL 160 132.743 -0.273 10.111 618 3HG2 VAL 160 3HG2 VAL 160 131.958 -0.666 11.641 619 H GLU 161 H GLU 161 133.282 -4.271 14.317 620 HA GLU 161 HA GLU 161 135.173 -2.736 15.885 621 1HB GLU 161 2HB GLU 161 134.446 -4.109 17.757 622 2HB GLU 161 1HB GLU 161 133.050 -3.497 16.880 623 1HG GLU 161 2HG GLU 161 132.352 -5.622 17.052 624 2HG GLU 161 1HG GLU 161 133.374 -5.853 15.634 Start of MODEL 16 1 1H MET 81 1HT MET 81 90.970 -7.516 13.554 2 2H MET 81 2HT MET 81 90.098 -7.299 12.092 3 3H MET 81 3HT MET 81 90.631 -5.935 12.988 4 HA MET 81 HA MET 81 92.490 -7.925 11.910 5 1HB MET 81 2HB MET 81 90.762 -6.367 10.391 6 2HB MET 81 1HB MET 81 92.249 -5.429 10.418 7 1HG MET 81 2HG MET 81 92.608 -8.287 9.873 8 2HG MET 81 1HG MET 81 91.689 -7.407 8.654 9 1HE MET 81 1HE MET 81 94.655 -6.838 6.498 10 2HE MET 81 2HE MET 81 92.899 -6.928 6.645 11 3HE MET 81 3HE MET 81 93.891 -8.325 7.061 12 H VAL 82 H VAL 82 92.421 -6.478 14.430 13 HA VAL 82 HA VAL 82 94.373 -4.338 14.083 14 HB VAL 82 HB VAL 82 92.501 -3.995 15.650 15 1HG1 VAL 82 1HG1 VAL 82 92.016 -5.329 17.422 16 2HG1 VAL 82 2HG1 VAL 82 93.695 -5.818 17.657 17 3HG1 VAL 82 3HG1 VAL 82 92.736 -6.547 16.370 18 1HG2 VAL 82 1HG2 VAL 82 94.503 -2.728 16.021 19 2HG2 VAL 82 2HG2 VAL 82 95.253 -4.075 16.878 20 3HG2 VAL 82 3HG2 VAL 82 93.871 -3.238 17.586 21 H ARG 83 H ARG 83 94.121 -7.590 15.396 22 HA ARG 83 HA ARG 83 96.883 -7.519 16.326 23 1HB ARG 83 2HB ARG 83 94.644 -8.783 17.286 24 2HB ARG 83 1HB ARG 83 95.464 -10.086 16.439 25 1HG ARG 83 2HG ARG 83 96.538 -10.349 18.387 26 2HG ARG 83 1HG ARG 83 97.529 -9.008 17.809 27 1HD ARG 83 2HD ARG 83 96.082 -7.431 18.999 28 2HD ARG 83 1HD ARG 83 95.097 -8.774 19.579 29 HE ARG 83 HE ARG 83 97.641 -9.362 20.400 30 1HH1 ARG 83 1HH1 ARG 83 95.455 -6.677 20.843 31 2HH1 ARG 83 2HH1 ARG 83 96.089 -6.256 22.399 32 1HH2 ARG 83 1HH2 ARG 83 98.474 -8.811 22.447 33 2HH2 ARG 83 2HH2 ARG 83 97.802 -7.468 23.310 34 H CYS 84 H CYS 84 98.125 -9.663 15.846 35 HA CYS 84 HA CYS 84 99.236 -10.950 14.338 36 1HB CYS 84 2HB CYS 84 96.451 -10.974 13.342 37 2HB CYS 84 1HB CYS 84 97.682 -11.428 12.169 38 HG CYS 84 HG CYS 84 97.035 -13.608 13.304 39 H MET 85 H MET 85 97.245 -9.188 11.989 40 HA MET 85 HA MET 85 99.616 -8.385 10.550 41 1HB MET 85 2HB MET 85 96.699 -7.779 10.034 42 2HB MET 85 1HB MET 85 98.022 -7.409 8.937 43 1HG MET 85 2HG MET 85 97.870 -10.211 9.788 44 2HG MET 85 1HG MET 85 96.503 -9.644 8.831 45 1HE MET 85 1HE MET 85 100.793 -10.356 7.648 46 2HE MET 85 2HE MET 85 99.687 -11.682 8.004 47 3HE MET 85 3HE MET 85 100.021 -10.460 9.231 48 H LYS 86 H LYS 86 100.688 -6.554 10.850 49 HA LYS 86 HA LYS 86 99.382 -4.070 11.390 50 1HB LYS 86 2HB LYS 86 99.805 -5.522 13.644 51 2HB LYS 86 1HB LYS 86 101.320 -4.635 13.544 52 1HG LYS 86 2HG LYS 86 99.591 -2.626 13.116 53 2HG LYS 86 1HG LYS 86 98.597 -3.677 14.128 54 1HD LYS 86 2HD LYS 86 100.243 -3.658 15.870 55 2HD LYS 86 1HD LYS 86 101.395 -2.806 14.841 56 1HE LYS 86 2HE LYS 86 100.037 -0.833 14.847 57 2HE LYS 86 1HE LYS 86 98.725 -1.679 15.667 58 1HZ LYS 86 1HZ LYS 86 100.444 -2.040 17.510 59 2HZ LYS 86 2HZ LYS 86 99.762 -0.500 17.350 60 3HZ LYS 86 3HZ LYS 86 101.318 -0.800 16.762 61 H ASP 87 H ASP 87 101.043 -2.293 11.741 62 HA ASP 87 HA ASP 87 102.942 -2.381 9.672 63 1HB ASP 87 2HB ASP 87 102.144 -0.467 11.765 64 2HB ASP 87 1HB ASP 87 103.810 -0.304 11.218 65 H ASP 88 H ASP 88 105.276 -2.096 9.857 66 HA ASP 88 HA ASP 88 106.364 -3.726 12.050 67 1HB ASP 88 2HB ASP 88 106.992 -3.480 9.171 68 2HB ASP 88 1HB ASP 88 108.383 -3.634 10.239 69 H SER 89 H SER 89 107.900 -2.943 13.382 70 HA SER 89 HA SER 89 108.591 -0.115 13.090 71 1HB SER 89 2HB SER 89 109.142 -1.876 15.480 72 2HB SER 89 1HB SER 89 109.091 -0.115 15.421 73 HG SER 89 HG SER 89 106.993 -1.965 15.436 74 H LYS 90 H LYS 90 109.877 -2.316 11.535 75 HA LYS 90 HA LYS 90 112.586 -2.373 12.592 76 1HB LYS 90 2HB LYS 90 111.103 -3.801 10.449 77 2HB LYS 90 1HB LYS 90 112.836 -3.612 10.232 78 1HG LYS 90 2HG LYS 90 112.886 -4.512 12.715 79 2HG LYS 90 1HG LYS 90 111.334 -5.202 12.234 80 1HD LYS 90 2HD LYS 90 113.505 -5.551 10.285 81 2HD LYS 90 1HD LYS 90 113.745 -6.386 11.820 82 1HE LYS 90 2HE LYS 90 111.530 -7.428 11.576 83 2HE LYS 90 1HE LYS 90 111.333 -6.619 10.021 84 1HZ LYS 90 1HZ LYS 90 113.438 -8.606 10.689 85 2HZ LYS 90 2HZ LYS 90 113.266 -7.821 9.200 86 3HZ LYS 90 3HZ LYS 90 112.071 -8.893 9.732 87 H GLY 91 H GLY 91 113.784 -0.611 12.266 88 1HA GLY 91 2HA GLY 91 113.337 1.114 9.988 89 2HA GLY 91 1HA GLY 91 114.501 1.368 11.278 90 H LYS 92 H LYS 92 116.585 0.607 11.062 91 HA LYS 92 HA LYS 92 117.572 0.333 8.432 92 1HB LYS 92 2HB LYS 92 118.755 0.079 11.167 93 2HB LYS 92 1HB LYS 92 119.689 -0.463 9.779 94 1HG LYS 92 2HG LYS 92 120.384 1.731 10.122 95 2HG LYS 92 1HG LYS 92 119.228 1.850 8.794 96 1HD LYS 92 2HD LYS 92 118.624 3.604 10.208 97 2HD LYS 92 1HD LYS 92 117.488 2.322 10.630 98 1HE LYS 92 2HE LYS 92 118.407 1.995 12.681 99 2HE LYS 92 1HE LYS 92 120.032 2.410 12.139 100 1HZ LYS 92 1HZ LYS 92 119.582 4.682 12.314 101 2HZ LYS 92 2HZ LYS 92 118.892 4.017 13.707 102 3HZ LYS 92 3HZ LYS 92 117.908 4.452 12.402 103 H THR 93 H THR 93 117.400 -1.382 7.162 104 HA THR 93 HA THR 93 117.392 -4.057 8.396 105 HB THR 93 HB THR 93 116.364 -3.741 5.639 106 HG1 THR 93 HG1 THR 93 114.371 -2.951 6.413 107 1HG2 THR 93 1HG2 THR 93 115.833 -5.422 7.996 108 2HG2 THR 93 2HG2 THR 93 115.855 -5.833 6.281 109 3HG2 THR 93 3HG2 THR 93 114.446 -5.035 6.978 110 H GLU 94 H GLU 94 117.848 -5.666 6.306 111 HA GLU 94 HA GLU 94 120.638 -5.170 5.705 112 1HB GLU 94 2HB GLU 94 118.871 -7.458 5.877 113 2HB GLU 94 1HB GLU 94 119.834 -7.509 4.409 114 1HG GLU 94 2HG GLU 94 121.874 -7.305 5.722 115 2HG GLU 94 1HG GLU 94 120.920 -7.212 7.201 116 H GLU 95 H GLU 95 117.889 -4.173 4.313 117 HA GLU 95 HA GLU 95 118.766 -4.564 1.545 118 1HB GLU 95 2HB GLU 95 116.293 -4.814 2.573 119 2HB GLU 95 1HB GLU 95 116.245 -3.113 2.128 120 1HG GLU 95 2HG GLU 95 117.275 -4.182 -0.125 121 2HG GLU 95 1HG GLU 95 116.268 -5.514 0.437 122 H GLU 96 H GLU 96 118.125 -2.064 3.935 123 HA GLU 96 HA GLU 96 118.318 0.191 2.299 124 1HB GLU 96 2HB GLU 96 118.791 1.440 4.323 125 2HB GLU 96 1HB GLU 96 117.551 0.237 4.647 126 1HG GLU 96 2HG GLU 96 118.811 -0.172 6.457 127 2HG GLU 96 1HG GLU 96 119.732 -1.167 5.331 128 H LEU 97 H LEU 97 120.804 -1.831 3.718 129 HA LEU 97 HA LEU 97 123.005 -0.129 3.323 130 1HB LEU 97 2HB LEU 97 122.636 -3.061 3.697 131 2HB LEU 97 1HB LEU 97 124.194 -2.493 3.128 132 HG LEU 97 HG LEU 97 123.037 -1.188 5.541 133 1HD1 LEU 97 1HD1 LEU 97 124.436 -3.853 5.651 134 2HD1 LEU 97 2HD1 LEU 97 122.701 -3.627 5.870 135 3HD1 LEU 97 3HD1 LEU 97 123.834 -2.903 7.009 136 1HD2 LEU 97 1HD2 LEU 97 125.856 -2.089 5.156 137 2HD2 LEU 97 2HD2 LEU 97 125.231 -0.698 6.044 138 3HD2 LEU 97 3HD2 LEU 97 125.263 -0.678 4.281 139 H SER 98 H SER 98 121.177 -2.079 1.119 140 HA SER 98 HA SER 98 123.156 -2.254 -0.928 141 1HB SER 98 2HB SER 98 120.851 -3.564 -0.519 142 2HB SER 98 1HB SER 98 120.273 -2.346 -1.654 143 HG SER 98 HG SER 98 121.870 -3.034 -3.113 144 H ASP 99 H ASP 99 120.523 -0.023 -0.203 145 HA ASP 99 HA ASP 99 120.582 1.446 -2.595 146 1HB ASP 99 2HB ASP 99 119.811 2.328 0.195 147 2HB ASP 99 1HB ASP 99 119.474 3.239 -1.274 148 H LEU 100 H LEU 100 122.349 1.851 0.444 149 HA LEU 100 HA LEU 100 123.634 4.270 -0.273 150 1HB LEU 100 2HB LEU 100 124.277 2.141 1.757 151 2HB LEU 100 1HB LEU 100 125.256 3.584 1.564 152 HG LEU 100 HG LEU 100 122.310 3.802 2.087 153 1HD1 LEU 100 1HD1 LEU 100 124.452 2.997 3.967 154 2HD1 LEU 100 2HD1 LEU 100 122.730 2.615 3.975 155 3HD1 LEU 100 3HD1 LEU 100 123.285 4.193 4.531 156 1HD2 LEU 100 1HD2 LEU 100 124.016 5.698 1.399 157 2HD2 LEU 100 2HD2 LEU 100 124.389 5.657 3.122 158 3HD2 LEU 100 3HD2 LEU 100 122.742 5.988 2.585 159 H PHE 101 H PHE 101 124.222 0.973 -1.103 160 HA PHE 101 HA PHE 101 126.979 1.086 -1.625 161 1HB PHE 101 2HB PHE 101 125.676 -1.017 -1.503 162 2HB PHE 101 1HB PHE 101 124.890 -0.600 -3.021 163 HD1 PHE 101 HD1 PHE 101 125.700 -2.851 -3.771 164 HD2 PHE 101 HD2 PHE 101 128.360 0.329 -2.804 165 HE1 PHE 101 HE1 PHE 101 127.501 -3.982 -5.009 166 HE2 PHE 101 HE2 PHE 101 130.163 -0.797 -4.040 167 HZ PHE 101 HZ PHE 101 129.734 -2.956 -5.145 168 H ARG 102 H ARG 102 124.182 1.699 -3.730 169 HA ARG 102 HA ARG 102 125.634 2.186 -6.083 170 1HB ARG 102 2HB ARG 102 122.954 3.301 -5.236 171 2HB ARG 102 1HB ARG 102 123.593 3.321 -6.875 172 1HG ARG 102 2HG ARG 102 123.769 0.689 -6.325 173 2HG ARG 102 1HG ARG 102 122.372 1.128 -5.342 174 1HD ARG 102 2HD ARG 102 122.096 2.396 -7.865 175 2HD ARG 102 1HD ARG 102 122.514 0.707 -8.152 176 HE ARG 102 HE ARG 102 120.054 1.726 -7.077 177 1HH1 ARG 102 1HH1 ARG 102 122.174 -1.043 -7.226 178 2HH1 ARG 102 2HH1 ARG 102 120.917 -2.182 -6.882 179 1HH2 ARG 102 1HH2 ARG 102 118.398 0.229 -6.626 180 2HH2 ARG 102 2HH2 ARG 102 118.772 -1.460 -6.541 181 H MET 103 H MET 103 124.862 4.220 -3.347 182 HA MET 103 HA MET 103 125.370 6.730 -4.481 183 1HB MET 103 2HB MET 103 125.438 5.637 -1.698 184 2HB MET 103 1HB MET 103 126.083 7.245 -1.997 185 1HG MET 103 2HG MET 103 123.427 6.704 -3.140 186 2HG MET 103 1HG MET 103 123.518 6.735 -1.379 187 1HE MET 103 1HE MET 103 121.711 9.143 -1.641 188 2HE MET 103 2HE MET 103 121.826 8.451 -3.259 189 3HE MET 103 3HE MET 103 122.106 10.175 -3.016 190 H PHE 104 H PHE 104 127.533 4.291 -3.169 191 HA PHE 104 HA PHE 104 129.854 5.971 -3.238 192 1HB PHE 104 2HB PHE 104 129.259 3.152 -2.570 193 2HB PHE 104 1HB PHE 104 130.887 3.472 -3.158 194 HD1 PHE 104 HD1 PHE 104 132.512 4.314 -1.729 195 HD2 PHE 104 HD2 PHE 104 128.413 4.563 -0.615 196 HE1 PHE 104 HE1 PHE 104 133.173 5.091 0.509 197 HE2 PHE 104 HE2 PHE 104 129.065 5.344 1.625 198 HZ PHE 104 HZ PHE 104 131.447 5.609 2.190 199 H ASP 105 H ASP 105 128.133 4.145 -5.567 200 HA ASP 105 HA ASP 105 130.413 3.816 -7.335 201 1HB ASP 105 2HB ASP 105 127.567 2.938 -7.332 202 2HB ASP 105 1HB ASP 105 128.364 3.102 -8.893 203 H LYS 106 H LYS 106 130.769 4.944 -9.218 204 HA LYS 106 HA LYS 106 129.267 7.453 -9.473 205 1HB LYS 106 2HB LYS 106 132.071 6.643 -10.033 206 2HB LYS 106 1HB LYS 106 131.365 7.860 -11.087 207 1HG LYS 106 2HG LYS 106 131.005 8.280 -8.190 208 2HG LYS 106 1HG LYS 106 132.651 8.434 -8.810 209 1HD LYS 106 2HD LYS 106 132.118 10.235 -10.151 210 2HD LYS 106 1HD LYS 106 130.409 9.802 -10.233 211 1HE LYS 106 2HE LYS 106 131.880 10.978 -7.879 212 2HE LYS 106 1HE LYS 106 130.656 11.770 -8.871 213 1HZ LYS 106 1HZ LYS 106 129.195 9.797 -8.102 214 2HZ LYS 106 2HZ LYS 106 129.452 11.097 -7.050 215 3HZ LYS 106 3HZ LYS 106 130.323 9.660 -6.849 216 H ASN 107 H ASN 107 130.468 4.706 -11.349 217 HA ASN 107 HA ASN 107 128.866 5.609 -13.639 218 1HB ASN 107 2HB ASN 107 130.176 3.870 -14.905 219 2HB ASN 107 1HB ASN 107 131.139 5.194 -14.256 220 1HD2 ASN 107 1HD2 ASN 107 132.490 3.039 -14.932 221 2HD2 ASN 107 2HD2 ASN 107 132.985 2.127 -13.551 222 H ALA 108 H ALA 108 128.184 3.948 -11.040 223 HA ALA 108 HA ALA 108 126.843 2.193 -10.464 224 1HB ALA 108 1HB ALA 108 124.987 3.207 -11.277 225 2HB ALA 108 2HB ALA 108 125.017 1.831 -12.380 226 3HB ALA 108 3HB ALA 108 125.661 3.390 -12.898 227 H ASP 109 H ASP 109 129.101 1.091 -11.155 228 HA ASP 109 HA ASP 109 128.631 -0.885 -13.257 229 1HB ASP 109 2HB ASP 109 131.011 -1.442 -12.988 230 2HB ASP 109 1HB ASP 109 130.781 0.277 -13.293 231 H GLY 110 H GLY 110 128.206 -0.611 -9.940 232 1HA GLY 110 2HA GLY 110 127.264 -2.313 -8.611 233 2HA GLY 110 1HA GLY 110 127.918 -3.510 -9.718 234 H TYR 111 H TYR 111 130.500 -1.704 -9.402 235 HA TYR 111 HA TYR 111 131.334 -2.704 -6.778 236 1HB TYR 111 2HB TYR 111 133.065 -3.051 -9.226 237 2HB TYR 111 1HB TYR 111 133.314 -3.726 -7.620 238 HD1 TYR 111 HD1 TYR 111 131.349 -3.990 -10.718 239 HD2 TYR 111 HD2 TYR 111 132.191 -5.733 -6.929 240 HE1 TYR 111 HE1 TYR 111 130.179 -6.041 -11.409 241 HE2 TYR 111 HE2 TYR 111 131.024 -7.788 -7.609 242 HH TYR 111 HH TYR 111 129.104 -8.317 -9.379 243 H ILE 112 H ILE 112 133.115 -1.586 -5.858 244 HA ILE 112 HA ILE 112 133.559 1.064 -7.062 245 HB ILE 112 HB ILE 112 133.920 0.277 -4.169 246 1HG1 ILE 112 2HG1 ILE 112 131.713 2.039 -5.178 247 2HG1 ILE 112 1HG1 ILE 112 131.526 0.288 -5.240 248 1HG2 ILE 112 1HG2 ILE 112 135.269 2.128 -4.479 249 2HG2 ILE 112 2HG2 ILE 112 133.743 2.862 -3.984 250 3HG2 ILE 112 3HG2 ILE 112 134.198 2.836 -5.689 251 1HD1 ILE 112 1HD1 ILE 112 130.538 1.318 -3.231 252 2HD1 ILE 112 2HD1 ILE 112 132.146 1.856 -2.747 253 3HD1 ILE 112 3HD1 ILE 112 131.787 0.132 -2.857 254 H ASP 113 H ASP 113 135.557 1.713 -7.581 255 HA ASP 113 HA ASP 113 137.779 -0.113 -6.967 256 1HB ASP 113 2HB ASP 113 138.898 1.044 -8.932 257 2HB ASP 113 1HB ASP 113 137.505 0.039 -9.322 258 H LEU 114 H LEU 114 139.970 1.056 -6.949 259 HA LEU 114 HA LEU 114 140.012 2.826 -4.770 260 1HB LEU 114 2HB LEU 114 142.130 2.167 -6.814 261 2HB LEU 114 1HB LEU 114 142.426 3.135 -5.383 262 HG LEU 114 HG LEU 114 141.312 0.897 -4.287 263 1HD1 LEU 114 1HD1 LEU 114 141.697 0.079 -6.841 264 2HD1 LEU 114 2HD1 LEU 114 141.711 -0.989 -5.437 265 3HD1 LEU 114 3HD1 LEU 114 143.229 -0.386 -6.103 266 1HD2 LEU 114 1HD2 LEU 114 143.313 0.700 -3.250 267 2HD2 LEU 114 2HD2 LEU 114 143.600 2.261 -4.018 268 3HD2 LEU 114 3HD2 LEU 114 144.226 0.788 -4.757 269 H GLU 115 H GLU 115 139.956 3.367 -8.222 270 HA GLU 115 HA GLU 115 140.680 6.128 -8.101 271 1HB GLU 115 2HB GLU 115 140.766 4.461 -10.110 272 2HB GLU 115 1HB GLU 115 139.091 4.939 -10.350 273 1HG GLU 115 2HG GLU 115 140.024 7.350 -10.276 274 2HG GLU 115 1HG GLU 115 141.577 6.578 -10.591 275 H GLU 116 H GLU 116 137.598 4.397 -8.476 276 HA GLU 116 HA GLU 116 135.963 6.681 -8.633 277 1HB GLU 116 2HB GLU 116 135.568 3.971 -8.841 278 2HB GLU 116 1HB GLU 116 134.747 4.346 -7.333 279 1HG GLU 116 2HG GLU 116 132.995 4.991 -8.512 280 2HG GLU 116 1HG GLU 116 133.955 6.337 -9.123 281 H LEU 117 H LEU 117 136.600 4.533 -5.859 282 HA LEU 117 HA LEU 117 135.179 5.889 -3.925 283 1HB LEU 117 2HB LEU 117 136.312 3.684 -3.654 284 2HB LEU 117 1HB LEU 117 137.842 4.530 -3.516 285 HG LEU 117 HG LEU 117 136.911 5.715 -1.503 286 1HD1 LEU 117 1HD1 LEU 117 134.857 5.311 -0.674 287 2HD1 LEU 117 2HD1 LEU 117 134.875 3.615 -1.159 288 3HD1 LEU 117 3HD1 LEU 117 134.500 4.867 -2.344 289 1HD2 LEU 117 1HD2 LEU 117 138.431 3.860 -1.239 290 2HD2 LEU 117 2HD2 LEU 117 137.109 2.709 -1.428 291 3HD2 LEU 117 3HD2 LEU 117 137.166 3.760 -0.014 292 H LYS 118 H LYS 118 138.220 6.738 -5.383 293 HA LYS 118 HA LYS 118 139.005 8.630 -3.389 294 1HB LYS 118 2HB LYS 118 140.307 7.403 -5.429 295 2HB LYS 118 1HB LYS 118 140.021 8.988 -6.138 296 1HG LYS 118 2HG LYS 118 140.987 9.866 -3.886 297 2HG LYS 118 1HG LYS 118 141.668 8.243 -3.766 298 1HD LYS 118 2HD LYS 118 143.372 9.117 -4.946 299 2HD LYS 118 1HD LYS 118 142.299 8.894 -6.329 300 1HE LYS 118 2HE LYS 118 141.463 11.303 -5.390 301 2HE LYS 118 1HE LYS 118 143.179 11.358 -4.987 302 1HZ LYS 118 1HZ LYS 118 143.590 10.693 -7.360 303 2HZ LYS 118 2HZ LYS 118 142.966 12.248 -7.140 304 3HZ LYS 118 3HZ LYS 118 141.953 10.997 -7.660 305 H ILE 119 H ILE 119 136.981 8.710 -6.211 306 HA ILE 119 HA ILE 119 136.998 11.475 -6.719 307 HB ILE 119 HB ILE 119 134.685 9.583 -7.153 308 1HG1 ILE 119 2HG1 ILE 119 137.032 10.226 -8.955 309 2HG1 ILE 119 1HG1 ILE 119 136.730 8.685 -8.158 310 1HG2 ILE 119 1HG2 ILE 119 134.273 12.059 -7.347 311 2HG2 ILE 119 2HG2 ILE 119 133.921 11.116 -8.795 312 3HG2 ILE 119 3HG2 ILE 119 135.406 12.063 -8.699 313 1HD1 ILE 119 1HD1 ILE 119 134.716 8.381 -9.476 314 2HD1 ILE 119 2HD1 ILE 119 136.119 8.632 -10.516 315 3HD1 ILE 119 3HD1 ILE 119 134.972 9.945 -10.248 316 H MET 120 H MET 120 134.711 9.505 -4.825 317 HA MET 120 HA MET 120 133.072 11.586 -3.958 318 1HB MET 120 2HB MET 120 132.497 9.203 -3.742 319 2HB MET 120 1HB MET 120 133.738 9.018 -2.512 320 1HG MET 120 2HG MET 120 132.380 10.965 -1.356 321 2HG MET 120 1HG MET 120 131.076 10.312 -2.347 322 1HE MET 120 1HE MET 120 133.532 7.857 0.636 323 2HE MET 120 2HE MET 120 133.218 9.542 1.054 324 3HE MET 120 3HE MET 120 134.098 9.149 -0.422 325 H LEU 121 H LEU 121 136.208 10.571 -2.836 326 HA LEU 121 HA LEU 121 136.057 11.969 -0.333 327 1HB LEU 121 2HB LEU 121 138.116 10.436 -1.817 328 2HB LEU 121 1HB LEU 121 138.695 11.619 -0.658 329 HG LEU 121 HG LEU 121 136.894 10.354 0.886 330 1HD1 LEU 121 1HD1 LEU 121 137.942 8.210 -0.954 331 2HD1 LEU 121 2HD1 LEU 121 136.283 8.801 -0.929 332 3HD1 LEU 121 3HD1 LEU 121 136.946 7.977 0.482 333 1HD2 LEU 121 1HD2 LEU 121 139.784 10.067 0.394 334 2HD2 LEU 121 2HD2 LEU 121 139.030 8.764 1.314 335 3HD2 LEU 121 3HD2 LEU 121 138.913 10.429 1.884 336 H GLN 122 H GLN 122 137.617 12.588 -3.465 337 HA GLN 122 HA GLN 122 138.782 15.051 -2.700 338 1HB GLN 122 2HB GLN 122 139.016 15.436 -5.148 339 2HB GLN 122 1HB GLN 122 139.643 13.881 -4.617 340 1HG GLN 122 2HG GLN 122 137.631 12.781 -5.413 341 2HG GLN 122 1HG GLN 122 136.968 14.336 -5.913 342 1HE2 GLN 122 1HE2 GLN 122 136.795 13.475 -8.035 343 2HE2 GLN 122 2HE2 GLN 122 138.179 13.386 -9.064 344 H ALA 123 H ALA 123 135.764 14.216 -4.336 345 HA ALA 123 HA ALA 123 134.869 16.795 -4.914 346 1HB ALA 123 1HB ALA 123 132.967 15.798 -5.603 347 2HB ALA 123 2HB ALA 123 132.806 14.837 -4.134 348 3HB ALA 123 3HB ALA 123 133.917 14.326 -5.406 349 H THR 124 H THR 124 134.886 15.016 -1.915 350 HA THR 124 HA THR 124 133.047 16.813 -0.599 351 HB THR 124 HB THR 124 134.087 15.488 1.462 352 HG1 THR 124 HG1 THR 124 134.469 13.618 -0.616 353 1HG2 THR 124 1HG2 THR 124 132.034 14.680 1.435 354 2HG2 THR 124 2HG2 THR 124 132.560 13.477 0.259 355 3HG2 THR 124 3HG2 THR 124 131.880 15.008 -0.290 356 H GLY 125 H GLY 125 133.624 18.103 1.268 357 1HA GLY 125 2HA GLY 125 136.125 19.511 0.814 358 2HA GLY 125 1HA GLY 125 134.829 20.003 1.895 359 H GLU 126 H GLU 126 135.593 16.770 2.399 360 HA GLU 126 HA GLU 126 136.736 17.346 4.962 361 1HB GLU 126 2HB GLU 126 136.321 14.724 3.515 362 2HB GLU 126 1HB GLU 126 136.850 14.871 5.185 363 1HG GLU 126 2HG GLU 126 134.653 16.297 5.407 364 2HG GLU 126 1HG GLU 126 134.178 15.369 3.985 365 H THR 127 H THR 127 138.782 16.543 5.732 366 HA THR 127 HA THR 127 140.848 16.692 3.659 367 HB THR 127 HB THR 127 142.279 16.839 5.910 368 HG1 THR 127 HG1 THR 127 141.079 17.960 7.478 369 1HG2 THR 127 1HG2 THR 127 140.992 18.848 4.239 370 2HG2 THR 127 2HG2 THR 127 142.650 18.751 4.832 371 3HG2 THR 127 3HG2 THR 127 141.381 19.412 5.863 372 H ILE 128 H ILE 128 140.888 14.595 2.894 373 HA ILE 128 HA ILE 128 141.869 12.583 4.808 374 HB ILE 128 HB ILE 128 140.127 11.941 2.432 375 1HG1 ILE 128 2HG1 ILE 128 139.285 12.003 5.334 376 2HG1 ILE 128 1HG1 ILE 128 138.953 13.307 4.199 377 1HG2 ILE 128 1HG2 ILE 128 141.528 10.383 4.502 378 2HG2 ILE 128 2HG2 ILE 128 141.089 9.945 2.851 379 3HG2 ILE 128 3HG2 ILE 128 139.881 9.871 4.134 380 1HD1 ILE 128 1HD1 ILE 128 137.690 11.717 2.802 381 2HD1 ILE 128 2HD1 ILE 128 137.014 11.912 4.420 382 3HD1 ILE 128 3HD1 ILE 128 137.958 10.475 4.025 383 H THR 129 H THR 129 143.690 11.557 4.246 384 HA THR 129 HA THR 129 145.005 12.334 1.788 385 HB THR 129 HB THR 129 146.252 12.267 3.911 386 HG1 THR 129 HG1 THR 129 147.257 10.238 2.222 387 1HG2 THR 129 1HG2 THR 129 145.105 9.649 4.140 388 2HG2 THR 129 2HG2 THR 129 145.983 10.602 5.336 389 3HG2 THR 129 3HG2 THR 129 146.865 9.566 4.214 390 H GLU 130 H GLU 130 146.231 10.573 0.569 391 HA GLU 130 HA GLU 130 144.384 8.816 -0.601 392 1HB GLU 130 2HB GLU 130 146.783 9.774 -1.351 393 2HB GLU 130 1HB GLU 130 147.266 8.163 -0.841 394 1HG GLU 130 2HG GLU 130 145.066 7.639 -2.367 395 2HG GLU 130 1HG GLU 130 145.777 9.023 -3.197 396 H ASP 131 H ASP 131 146.763 8.352 1.942 397 HA ASP 131 HA ASP 131 146.840 5.578 2.051 398 1HB ASP 131 2HB ASP 131 147.037 7.600 4.289 399 2HB ASP 131 1HB ASP 131 147.420 5.891 4.469 400 H ASP 132 H ASP 132 144.567 7.822 3.586 401 HA ASP 132 HA ASP 132 143.115 5.932 5.059 402 1HB ASP 132 2HB ASP 132 142.516 8.672 4.005 403 2HB ASP 132 1HB ASP 132 141.219 7.718 4.721 404 H ILE 133 H ILE 133 142.929 6.914 1.704 405 HA ILE 133 HA ILE 133 140.437 5.646 1.145 406 HB ILE 133 HB ILE 133 142.628 6.312 -0.823 407 1HG1 ILE 133 2HG1 ILE 133 140.276 8.079 -0.214 408 2HG1 ILE 133 1HG1 ILE 133 141.749 8.195 0.743 409 1HG2 ILE 133 1HG2 ILE 133 140.833 6.401 -2.454 410 2HG2 ILE 133 2HG2 ILE 133 139.651 6.022 -1.202 411 3HG2 ILE 133 3HG2 ILE 133 140.863 4.826 -1.662 412 1HD1 ILE 133 1HD1 ILE 133 142.696 8.279 -1.824 413 2HD1 ILE 133 2HD1 ILE 133 142.410 9.672 -0.780 414 3HD1 ILE 133 3HD1 ILE 133 141.176 9.166 -1.936 415 H GLU 134 H GLU 134 143.827 4.726 0.553 416 HA GLU 134 HA GLU 134 143.313 2.268 -0.682 417 1HB GLU 134 2HB GLU 134 145.678 3.197 0.950 418 2HB GLU 134 1HB GLU 134 145.647 1.682 0.057 419 1HG GLU 134 2HG GLU 134 145.022 3.226 -1.956 420 2HG GLU 134 1HG GLU 134 145.755 4.479 -0.956 421 H GLU 135 H GLU 135 144.077 2.967 2.727 422 HA GLU 135 HA GLU 135 143.888 0.351 3.679 423 1HB GLU 135 2HB GLU 135 143.399 1.446 5.901 424 2HB GLU 135 1HB GLU 135 144.860 1.995 5.092 425 1HG GLU 135 2HG GLU 135 144.117 4.051 5.469 426 2HG GLU 135 1HG GLU 135 142.966 3.748 4.169 427 H LEU 136 H LEU 136 141.408 2.660 2.884 428 HA LEU 136 HA LEU 136 139.276 1.465 4.309 429 1HB LEU 136 2HB LEU 136 139.610 3.735 2.778 430 2HB LEU 136 1HB LEU 136 138.530 2.763 1.796 431 HG LEU 136 HG LEU 136 137.836 3.044 4.667 432 1HD1 LEU 136 1HD1 LEU 136 138.043 5.311 2.779 433 2HD1 LEU 136 2HD1 LEU 136 138.143 5.284 4.540 434 3HD1 LEU 136 3HD1 LEU 136 136.571 5.206 3.744 435 1HD2 LEU 136 1HD2 LEU 136 136.095 3.319 2.237 436 2HD2 LEU 136 2HD2 LEU 136 135.634 2.869 3.879 437 3HD2 LEU 136 3HD2 LEU 136 136.561 1.746 2.885 438 H MET 137 H MET 137 140.653 0.914 1.123 439 HA MET 137 HA MET 137 138.580 -0.841 0.233 440 1HB MET 137 2HB MET 137 140.698 0.466 -0.969 441 2HB MET 137 1HB MET 137 141.195 -1.219 -1.020 442 1HG MET 137 2HG MET 137 140.070 -1.046 -2.994 443 2HG MET 137 1HG MET 137 138.776 -1.596 -1.930 444 1HE MET 137 1HE MET 137 137.286 -1.121 -3.581 445 2HE MET 137 2HE MET 137 136.878 0.430 -4.317 446 3HE MET 137 3HE MET 137 136.207 -0.004 -2.746 447 H LYS 138 H LYS 138 141.853 -1.328 1.522 448 HA LYS 138 HA LYS 138 141.923 -4.112 1.358 449 1HB LYS 138 2HB LYS 138 143.673 -2.206 2.171 450 2HB LYS 138 1HB LYS 138 143.222 -2.905 3.721 451 1HG LYS 138 2HG LYS 138 143.728 -5.033 1.914 452 2HG LYS 138 1HG LYS 138 145.062 -3.885 1.802 453 1HD LYS 138 2HD LYS 138 145.831 -5.094 3.561 454 2HD LYS 138 1HD LYS 138 144.803 -3.980 4.463 455 1HE LYS 138 2HE LYS 138 143.026 -5.922 3.789 456 2HE LYS 138 1HE LYS 138 144.505 -6.861 3.977 457 1HZ LYS 138 1HZ LYS 138 143.652 -4.923 6.036 458 2HZ LYS 138 2HZ LYS 138 144.711 -6.232 6.192 459 3HZ LYS 138 3HZ LYS 138 143.051 -6.504 6.021 460 H ASP 139 H ASP 139 140.279 -2.016 3.577 461 HA ASP 139 HA ASP 139 139.812 -4.077 5.543 462 1HB ASP 139 2HB ASP 139 139.304 -1.193 5.302 463 2HB ASP 139 1HB ASP 139 138.036 -2.076 6.145 464 H GLY 140 H GLY 140 138.377 -3.140 2.593 465 1HA GLY 140 2HA GLY 140 135.943 -4.659 3.302 466 2HA GLY 140 1HA GLY 140 135.912 -3.267 2.232 467 H ASP 141 H ASP 141 138.684 -5.173 1.804 468 HA ASP 141 HA ASP 141 137.439 -6.513 -0.506 469 1HB ASP 141 2HB ASP 141 139.327 -4.604 -0.702 470 2HB ASP 141 1HB ASP 141 140.363 -6.019 -0.537 471 H LYS 142 H LYS 142 137.018 -8.447 0.533 472 HA LYS 142 HA LYS 142 139.061 -9.828 2.014 473 1HB LYS 142 2HB LYS 142 136.477 -11.006 1.007 474 2HB LYS 142 1HB LYS 142 137.435 -11.525 2.384 475 1HG LYS 142 2HG LYS 142 136.002 -8.885 2.201 476 2HG LYS 142 1HG LYS 142 135.369 -10.322 3.006 477 1HD LYS 142 2HD LYS 142 138.080 -9.583 3.834 478 2HD LYS 142 1HD LYS 142 136.857 -8.366 4.206 479 1HE LYS 142 2HE LYS 142 135.541 -9.993 5.405 480 2HE LYS 142 1HE LYS 142 136.644 -11.285 4.932 481 1HZ LYS 142 1HZ LYS 142 138.409 -10.014 6.152 482 2HZ LYS 142 2HZ LYS 142 137.199 -10.683 7.127 483 3HZ LYS 142 3HZ LYS 142 137.182 -9.029 6.776 484 H ASN 143 H ASN 143 137.759 -9.919 -1.237 485 HA ASN 143 HA ASN 143 139.241 -12.319 -1.915 486 1HB ASN 143 2HB ASN 143 138.280 -11.900 -4.209 487 2HB ASN 143 1HB ASN 143 137.088 -12.132 -2.933 488 1HD2 ASN 143 1HD2 ASN 143 135.653 -11.075 -4.453 489 2HD2 ASN 143 2HD2 ASN 143 135.608 -9.349 -4.508 490 H ASN 144 H ASN 144 140.056 -9.137 -1.573 491 HA ASN 144 HA ASN 144 141.678 -7.769 -2.402 492 1HB ASN 144 2HB ASN 144 142.843 -10.501 -2.285 493 2HB ASN 144 1HB ASN 144 143.779 -9.263 -3.118 494 1HD2 ASN 144 1HD2 ASN 144 144.217 -10.713 -0.573 495 2HD2 ASN 144 2HD2 ASN 144 144.448 -9.481 0.616 496 H ASP 145 H ASP 145 139.696 -8.709 -4.359 497 HA ASP 145 HA ASP 145 141.039 -9.212 -6.827 498 1HB ASP 145 2HB ASP 145 138.833 -8.846 -7.854 499 2HB ASP 145 1HB ASP 145 138.725 -9.930 -6.470 500 H GLY 146 H GLY 146 139.854 -6.350 -5.173 501 1HA GLY 146 2HA GLY 146 141.264 -4.334 -5.675 502 2HA GLY 146 1HA GLY 146 140.959 -4.702 -7.365 503 H ARG 147 H ARG 147 138.152 -5.498 -5.963 504 HA ARG 147 HA ARG 147 137.079 -2.788 -5.774 505 1HB ARG 147 2HB ARG 147 135.940 -4.885 -7.631 506 2HB ARG 147 1HB ARG 147 135.245 -3.300 -7.320 507 1HG ARG 147 2HG ARG 147 137.807 -2.699 -8.102 508 2HG ARG 147 1HG ARG 147 137.395 -4.081 -9.117 509 1HD ARG 147 2HD ARG 147 135.201 -2.828 -9.578 510 2HD ARG 147 1HD ARG 147 136.026 -1.418 -8.914 511 HE ARG 147 HE ARG 147 137.286 -1.287 -10.825 512 1HH1 ARG 147 1HH1 ARG 147 135.661 -4.375 -10.738 513 2HH1 ARG 147 2HH1 ARG 147 136.098 -4.791 -12.360 514 1HH2 ARG 147 1HH2 ARG 147 137.861 -1.833 -12.962 515 2HH2 ARG 147 2HH2 ARG 147 137.346 -3.349 -13.623 516 H ILE 148 H ILE 148 135.031 -2.669 -4.718 517 HA ILE 148 HA ILE 148 134.473 -5.036 -3.058 518 HB ILE 148 HB ILE 148 133.786 -2.155 -2.461 519 1HG1 ILE 148 2HG1 ILE 148 135.907 -3.833 -1.121 520 2HG1 ILE 148 1HG1 ILE 148 136.263 -2.776 -2.483 521 1HG2 ILE 148 1HG2 ILE 148 133.824 -4.381 -0.465 522 2HG2 ILE 148 2HG2 ILE 148 132.409 -4.128 -1.486 523 3HG2 ILE 148 3HG2 ILE 148 132.963 -2.844 -0.412 524 1HD1 ILE 148 1HD1 ILE 148 136.094 -2.132 0.269 525 2HD1 ILE 148 2HD1 ILE 148 134.818 -1.263 -0.584 526 3HD1 ILE 148 3HD1 ILE 148 136.498 -1.083 -1.090 527 H ASP 149 H ASP 149 132.568 -6.006 -3.190 528 HA ASP 149 HA ASP 149 130.486 -4.764 -4.849 529 1HB ASP 149 2HB ASP 149 129.577 -7.055 -5.083 530 2HB ASP 149 1HB ASP 149 131.239 -6.934 -5.655 531 H TYR 150 H TYR 150 128.204 -5.778 -4.157 532 HA TYR 150 HA TYR 150 127.461 -4.500 -1.800 533 1HB TYR 150 2HB TYR 150 125.858 -5.065 -3.563 534 2HB TYR 150 1HB TYR 150 126.055 -6.779 -3.207 535 HD1 TYR 150 HD1 TYR 150 125.692 -3.928 -0.841 536 HD2 TYR 150 HD2 TYR 150 123.946 -7.454 -2.459 537 HE1 TYR 150 HE1 TYR 150 123.882 -3.787 0.820 538 HE2 TYR 150 HE2 TYR 150 122.132 -7.322 -0.804 539 HH TYR 150 HH TYR 150 121.588 -4.559 1.111 540 H ASP 151 H ASP 151 128.777 -7.666 -2.287 541 HA ASP 151 HA ASP 151 127.910 -8.760 0.211 542 1HB ASP 151 2HB ASP 151 130.210 -9.676 -1.525 543 2HB ASP 151 1HB ASP 151 129.368 -10.620 -0.299 544 H GLU 152 H GLU 152 131.078 -7.631 -0.977 545 HA GLU 152 HA GLU 152 132.250 -7.767 1.634 546 1HB GLU 152 2HB GLU 152 133.365 -6.294 -0.748 547 2HB GLU 152 1HB GLU 152 134.248 -6.972 0.613 548 1HG GLU 152 2HG GLU 152 132.705 -8.980 -0.796 549 2HG GLU 152 1HG GLU 152 133.850 -8.152 -1.848 550 H PHE 153 H PHE 153 130.527 -5.364 -0.157 551 HA PHE 153 HA PHE 153 131.531 -3.143 1.377 552 1HB PHE 153 2HB PHE 153 130.583 -3.151 -1.057 553 2HB PHE 153 1HB PHE 153 129.020 -3.022 -0.258 554 HD1 PHE 153 HD1 PHE 153 128.340 -0.872 -0.834 555 HD2 PHE 153 HD2 PHE 153 132.231 -1.471 0.778 556 HE1 PHE 153 HE1 PHE 153 128.637 1.564 -0.651 557 HE2 PHE 153 HE2 PHE 153 132.533 0.961 0.968 558 HZ PHE 153 HZ PHE 153 130.736 2.482 0.253 559 H LEU 154 H LEU 154 128.531 -5.047 1.292 560 HA LEU 154 HA LEU 154 127.139 -3.551 3.221 561 1HB LEU 154 2HB LEU 154 125.617 -5.354 3.364 562 2HB LEU 154 1HB LEU 154 126.160 -5.289 1.702 563 HG LEU 154 HG LEU 154 127.837 -7.132 2.417 564 1HD1 LEU 154 1HD1 LEU 154 126.428 -6.723 4.860 565 2HD1 LEU 154 2HD1 LEU 154 127.746 -7.844 4.515 566 3HD1 LEU 154 3HD1 LEU 154 126.073 -8.344 4.265 567 1HD2 LEU 154 1HD2 LEU 154 126.435 -8.666 1.487 568 2HD2 LEU 154 2HD2 LEU 154 125.558 -7.197 1.061 569 3HD2 LEU 154 3HD2 LEU 154 125.052 -8.152 2.453 570 H GLU 155 H GLU 155 129.297 -6.320 3.522 571 HA GLU 155 HA GLU 155 128.995 -6.751 6.278 572 1HB GLU 155 2HB GLU 155 130.884 -7.557 4.181 573 2HB GLU 155 1HB GLU 155 131.604 -7.464 5.783 574 1HG GLU 155 2HG GLU 155 129.200 -8.795 6.177 575 2HG GLU 155 1HG GLU 155 129.830 -9.446 4.664 576 H PHE 156 H PHE 156 130.978 -4.509 4.462 577 HA PHE 156 HA PHE 156 132.819 -3.677 6.321 578 1HB PHE 156 2HB PHE 156 132.057 -2.837 3.829 579 2HB PHE 156 1HB PHE 156 131.594 -1.462 4.825 580 HD1 PHE 156 HD1 PHE 156 133.823 -1.786 6.893 581 HD2 PHE 156 HD2 PHE 156 133.819 -1.810 2.636 582 HE1 PHE 156 HE1 PHE 156 136.153 -0.995 6.891 583 HE2 PHE 156 HE2 PHE 156 136.149 -1.021 2.628 584 HZ PHE 156 HZ PHE 156 137.319 -0.614 4.756 585 H MET 157 H MET 157 129.393 -3.114 6.335 586 HA MET 157 HA MET 157 129.719 -1.284 8.624 587 1HB MET 157 2HB MET 157 128.074 -1.121 6.290 588 2HB MET 157 1HB MET 157 127.028 -1.247 7.696 589 1HG MET 157 2HG MET 157 127.410 0.858 8.251 590 2HG MET 157 1HG MET 157 129.154 0.610 8.209 591 1HE MET 157 1HE MET 157 129.831 -0.139 5.297 592 2HE MET 157 2HE MET 157 130.691 1.135 6.163 593 3HE MET 157 3HE MET 157 130.080 1.433 4.536 594 H LYS 158 H LYS 158 129.128 -4.433 8.007 595 HA LYS 158 HA LYS 158 127.101 -4.770 10.102 596 1HB LYS 158 2HB LYS 158 128.266 -6.731 8.115 597 2HB LYS 158 1HB LYS 158 127.092 -7.155 9.354 598 1HG LYS 158 2HG LYS 158 126.358 -4.918 7.579 599 2HG LYS 158 1HG LYS 158 126.431 -6.519 6.840 600 1HD LYS 158 2HD LYS 158 125.094 -6.935 9.236 601 2HD LYS 158 1HD LYS 158 124.460 -5.396 8.649 602 1HE LYS 158 2HE LYS 158 123.059 -6.705 7.470 603 2HE LYS 158 1HE LYS 158 124.430 -6.853 6.371 604 1HZ LYS 158 1HZ LYS 158 124.972 -8.798 8.097 605 2HZ LYS 158 2HZ LYS 158 124.059 -9.034 6.694 606 3HZ LYS 158 3HZ LYS 158 123.282 -8.815 8.178 607 H GLY 159 H GLY 159 129.684 -3.858 10.766 608 1HA GLY 159 2HA GLY 159 130.747 -4.510 12.878 609 2HA GLY 159 1HA GLY 159 130.748 -6.165 12.273 610 H VAL 160 H VAL 160 132.447 -3.203 12.395 611 HA VAL 160 HA VAL 160 134.198 -3.913 10.183 612 HB VAL 160 HB VAL 160 134.770 -1.563 11.926 613 1HG1 VAL 160 1HG1 VAL 160 136.088 -2.318 9.870 614 2HG1 VAL 160 2HG1 VAL 160 135.623 -0.619 9.961 615 3HG1 VAL 160 3HG1 VAL 160 134.718 -1.728 8.930 616 1HG2 VAL 160 1HG2 VAL 160 132.299 -1.941 10.326 617 2HG2 VAL 160 2HG2 VAL 160 133.108 -0.378 10.213 618 3HG2 VAL 160 3HG2 VAL 160 132.570 -0.981 11.780 619 H GLU 161 H GLU 161 134.949 -2.718 13.478 620 HA GLU 161 HA GLU 161 137.496 -3.913 13.514 621 1HB GLU 161 2HB GLU 161 135.710 -2.724 15.607 622 2HB GLU 161 1HB GLU 161 137.184 -3.555 16.083 623 1HG GLU 161 2HG GLU 161 138.550 -1.978 15.107 624 2HG GLU 161 1HG GLU 161 137.294 -1.424 14.000 Start of MODEL 17 1 1H MET 81 1HT MET 81 89.603 -10.855 3.279 2 2H MET 81 2HT MET 81 89.990 -11.556 1.761 3 3H MET 81 3HT MET 81 90.718 -10.077 2.237 4 HA MET 81 HA MET 81 91.041 -12.580 3.735 5 1HB MET 81 2HB MET 81 92.358 -11.572 1.261 6 2HB MET 81 1HB MET 81 93.385 -12.321 2.476 7 1HG MET 81 2HG MET 81 90.946 -13.810 1.791 8 2HG MET 81 1HG MET 81 92.138 -13.660 0.501 9 1HE MET 81 1HE MET 81 93.823 -15.487 0.162 10 2HE MET 81 2HE MET 81 94.964 -15.902 1.442 11 3HE MET 81 3HE MET 81 94.762 -14.219 0.953 12 H VAL 82 H VAL 82 92.579 -9.523 2.715 13 HA VAL 82 HA VAL 82 93.769 -7.960 3.862 14 HB VAL 82 HB VAL 82 92.559 -9.095 6.381 15 1HG1 VAL 82 1HG1 VAL 82 94.032 -7.535 7.138 16 2HG1 VAL 82 2HG1 VAL 82 92.663 -6.475 6.804 17 3HG1 VAL 82 3HG1 VAL 82 93.984 -6.600 5.644 18 1HG2 VAL 82 1HG2 VAL 82 90.941 -7.040 5.826 19 2HG2 VAL 82 2HG2 VAL 82 90.602 -8.691 5.305 20 3HG2 VAL 82 3HG2 VAL 82 91.328 -7.544 4.181 21 H ARG 83 H ARG 83 94.896 -10.605 3.372 22 HA ARG 83 HA ARG 83 96.974 -10.556 5.451 23 1HB ARG 83 2HB ARG 83 95.354 -12.498 5.700 24 2HB ARG 83 1HB ARG 83 95.981 -13.101 4.171 25 1HG ARG 83 2HG ARG 83 97.371 -14.247 5.514 26 2HG ARG 83 1HG ARG 83 98.289 -12.740 5.496 27 1HD ARG 83 2HD ARG 83 96.141 -13.103 7.531 28 2HD ARG 83 1HD ARG 83 97.683 -13.929 7.759 29 HE ARG 83 HE ARG 83 98.067 -11.179 7.161 30 1HH1 ARG 83 1HH1 ARG 83 97.145 -13.349 9.734 31 2HH1 ARG 83 2HH1 ARG 83 97.672 -12.283 10.991 32 1HH2 ARG 83 1HH2 ARG 83 98.761 -9.774 8.816 33 2HH2 ARG 83 2HH2 ARG 83 98.590 -10.253 10.471 34 H CYS 84 H CYS 84 97.807 -9.125 3.633 35 HA CYS 84 HA CYS 84 99.155 -10.775 1.596 36 1HB CYS 84 2HB CYS 84 97.491 -8.719 1.079 37 2HB CYS 84 1HB CYS 84 99.006 -7.836 1.223 38 HG CYS 84 HG CYS 84 99.278 -10.160 -0.690 39 H MET 85 H MET 85 101.151 -11.205 2.286 40 HA MET 85 HA MET 85 103.042 -9.113 2.639 41 1HB MET 85 2HB MET 85 101.661 -9.625 4.936 42 2HB MET 85 1HB MET 85 103.024 -10.722 5.107 43 1HG MET 85 2HG MET 85 104.540 -9.039 5.299 44 2HG MET 85 1HG MET 85 103.595 -7.922 4.315 45 1HE MET 85 1HE MET 85 104.236 -6.086 7.420 46 2HE MET 85 2HE MET 85 102.950 -5.517 6.356 47 3HE MET 85 3HE MET 85 104.393 -6.267 5.672 48 H LYS 86 H LYS 86 104.329 -10.125 1.171 49 HA LYS 86 HA LYS 86 104.856 -12.908 1.155 50 1HB LYS 86 2HB LYS 86 105.280 -10.845 -0.596 51 2HB LYS 86 1HB LYS 86 106.914 -11.184 -0.041 52 1HG LYS 86 2HG LYS 86 106.035 -13.688 -0.538 53 2HG LYS 86 1HG LYS 86 105.126 -12.774 -1.742 54 1HD LYS 86 2HD LYS 86 107.193 -11.802 -2.589 55 2HD LYS 86 1HD LYS 86 108.116 -12.663 -1.356 56 1HE LYS 86 2HE LYS 86 108.007 -14.629 -2.460 57 2HE LYS 86 1HE LYS 86 106.363 -14.337 -3.027 58 1HZ LYS 86 1HZ LYS 86 107.639 -14.270 -4.946 59 2HZ LYS 86 2HZ LYS 86 108.908 -13.428 -4.213 60 3HZ LYS 86 3HZ LYS 86 107.458 -12.632 -4.564 61 H ASP 87 H ASP 87 107.581 -13.169 0.898 62 HA ASP 87 HA ASP 87 108.383 -13.308 3.633 63 1HB ASP 87 2HB ASP 87 109.015 -14.782 1.494 64 2HB ASP 87 1HB ASP 87 110.389 -13.681 1.468 65 H ASP 88 H ASP 88 108.333 -11.081 4.255 66 HA ASP 88 HA ASP 88 110.624 -9.519 3.255 67 1HB ASP 88 2HB ASP 88 109.382 -7.504 3.998 68 2HB ASP 88 1HB ASP 88 108.520 -8.407 2.755 69 H SER 89 H SER 89 111.504 -7.961 4.929 70 HA SER 89 HA SER 89 111.443 -9.191 7.601 71 1HB SER 89 2HB SER 89 113.933 -8.275 7.633 72 2HB SER 89 1HB SER 89 113.551 -9.854 6.951 73 HG SER 89 HG SER 89 113.523 -7.554 5.327 74 H LYS 90 H LYS 90 113.519 -6.472 6.977 75 HA LYS 90 HA LYS 90 111.559 -4.692 8.262 76 1HB LYS 90 2HB LYS 90 114.008 -5.598 9.333 77 2HB LYS 90 1HB LYS 90 114.261 -3.916 8.884 78 1HG LYS 90 2HG LYS 90 113.457 -3.558 10.956 79 2HG LYS 90 1HG LYS 90 111.903 -3.679 10.126 80 1HD LYS 90 2HD LYS 90 111.712 -6.009 10.746 81 2HD LYS 90 1HD LYS 90 113.319 -5.976 11.477 82 1HE LYS 90 2HE LYS 90 112.244 -5.536 13.389 83 2HE LYS 90 1HE LYS 90 112.056 -3.904 12.747 84 1HZ LYS 90 1HZ LYS 90 109.972 -5.120 11.630 85 2HZ LYS 90 2HZ LYS 90 109.894 -4.332 13.125 86 3HZ LYS 90 3HZ LYS 90 110.085 -6.011 13.064 87 H GLY 91 H GLY 91 111.232 -2.791 7.272 88 1HA GLY 91 2HA GLY 91 112.128 -2.224 4.721 89 2HA GLY 91 1HA GLY 91 111.495 -1.018 5.833 90 H LYS 92 H LYS 92 113.630 -1.400 7.785 91 HA LYS 92 HA LYS 92 115.831 -0.131 6.292 92 1HB LYS 92 2HB LYS 92 114.912 0.368 9.128 93 2HB LYS 92 1HB LYS 92 116.355 1.070 8.409 94 1HG LYS 92 2HG LYS 92 114.926 2.154 6.704 95 2HG LYS 92 1HG LYS 92 113.508 1.529 7.549 96 1HD LYS 92 2HD LYS 92 113.823 2.913 9.375 97 2HD LYS 92 1HD LYS 92 115.544 3.123 9.047 98 1HE LYS 92 2HE LYS 92 113.716 4.115 6.960 99 2HE LYS 92 1HE LYS 92 113.658 4.977 8.496 100 1HZ LYS 92 1HZ LYS 92 116.317 4.428 7.489 101 2HZ LYS 92 2HZ LYS 92 115.692 5.837 8.185 102 3HZ LYS 92 3HZ LYS 92 115.408 5.505 6.552 103 H THR 93 H THR 93 116.167 -2.657 6.169 104 HA THR 93 HA THR 93 117.860 -3.461 8.442 105 HB THR 93 HB THR 93 115.911 -4.923 8.039 106 HG1 THR 93 HG1 THR 93 117.702 -5.939 8.868 107 1HG2 THR 93 1HG2 THR 93 116.980 -6.183 5.647 108 2HG2 THR 93 2HG2 THR 93 116.364 -4.553 5.371 109 3HG2 THR 93 3HG2 THR 93 115.317 -5.784 6.080 110 H GLU 94 H GLU 94 119.000 -5.674 6.871 111 HA GLU 94 HA GLU 94 121.240 -4.308 5.789 112 1HB GLU 94 2HB GLU 94 120.410 -7.110 6.192 113 2HB GLU 94 1HB GLU 94 121.537 -6.843 4.868 114 1HG GLU 94 2HG GLU 94 123.245 -6.317 6.243 115 2HG GLU 94 1HG GLU 94 122.199 -5.527 7.422 116 H GLU 95 H GLU 95 118.228 -4.852 4.482 117 HA GLU 95 HA GLU 95 119.113 -5.247 1.741 118 1HB GLU 95 2HB GLU 95 116.611 -5.501 3.201 119 2HB GLU 95 1HB GLU 95 116.392 -4.613 1.700 120 1HG GLU 95 2HG GLU 95 117.773 -6.587 0.682 121 2HG GLU 95 1HG GLU 95 117.233 -7.435 2.130 122 H GLU 96 H GLU 96 117.743 -2.703 3.768 123 HA GLU 96 HA GLU 96 117.359 -0.795 1.726 124 1HB GLU 96 2HB GLU 96 117.129 0.826 3.485 125 2HB GLU 96 1HB GLU 96 116.357 -0.664 4.009 126 1HG GLU 96 2HG GLU 96 117.634 -0.759 5.810 127 2HG GLU 96 1HG GLU 96 119.099 -0.644 4.840 128 H LEU 97 H LEU 97 120.150 -1.834 3.509 129 HA LEU 97 HA LEU 97 121.841 0.360 3.146 130 1HB LEU 97 2HB LEU 97 122.409 -2.593 3.365 131 2HB LEU 97 1HB LEU 97 123.682 -1.393 3.273 132 HG LEU 97 HG LEU 97 121.566 -1.288 5.407 133 1HD1 LEU 97 1HD1 LEU 97 124.244 -2.396 6.022 134 2HD1 LEU 97 2HD1 LEU 97 123.098 -3.455 5.199 135 3HD1 LEU 97 3HD1 LEU 97 122.676 -2.738 6.754 136 1HD2 LEU 97 1HD2 LEU 97 123.785 -0.241 6.479 137 2HD2 LEU 97 2HD2 LEU 97 122.610 0.712 5.574 138 3HD2 LEU 97 3HD2 LEU 97 124.077 0.137 4.781 139 H SER 98 H SER 98 120.621 -1.928 0.894 140 HA SER 98 HA SER 98 122.571 -2.071 -1.057 141 1HB SER 98 2HB SER 98 120.608 -3.397 -1.305 142 2HB SER 98 1HB SER 98 119.558 -1.981 -1.264 143 HG SER 98 HG SER 98 120.395 -3.121 -3.390 144 H ASP 99 H ASP 99 120.134 0.443 -0.524 145 HA ASP 99 HA ASP 99 120.643 1.990 -2.798 146 1HB ASP 99 2HB ASP 99 118.700 2.260 -1.235 147 2HB ASP 99 1HB ASP 99 119.794 3.031 -0.089 148 H LEU 100 H LEU 100 122.199 1.949 0.363 149 HA LEU 100 HA LEU 100 123.773 4.266 0.016 150 1HB LEU 100 2HB LEU 100 124.009 1.842 1.774 151 2HB LEU 100 1HB LEU 100 125.252 3.080 1.771 152 HG LEU 100 HG LEU 100 122.362 3.721 2.313 153 1HD1 LEU 100 1HD1 LEU 100 124.472 2.682 4.158 154 2HD1 LEU 100 2HD1 LEU 100 122.767 2.249 4.050 155 3HD1 LEU 100 3HD1 LEU 100 123.240 3.799 4.747 156 1HD2 LEU 100 1HD2 LEU 100 123.743 5.610 1.707 157 2HD2 LEU 100 2HD2 LEU 100 124.957 5.143 2.898 158 3HD2 LEU 100 3HD2 LEU 100 123.363 5.683 3.427 159 H PHE 101 H PHE 101 124.193 0.932 -0.959 160 HA PHE 101 HA PHE 101 126.932 0.956 -1.520 161 1HB PHE 101 2HB PHE 101 125.510 -1.083 -1.474 162 2HB PHE 101 1HB PHE 101 124.784 -0.577 -2.997 163 HD1 PHE 101 HD1 PHE 101 125.959 -0.805 -5.069 164 HD2 PHE 101 HD2 PHE 101 127.833 -1.829 -1.388 165 HE1 PHE 101 HE1 PHE 101 127.754 -1.947 -6.305 166 HE2 PHE 101 HE2 PHE 101 129.631 -2.973 -2.616 167 HZ PHE 101 HZ PHE 101 129.594 -3.032 -5.078 168 H ARG 102 H ARG 102 124.186 1.570 -3.716 169 HA ARG 102 HA ARG 102 125.640 2.134 -6.009 170 1HB ARG 102 2HB ARG 102 122.928 2.423 -5.116 171 2HB ARG 102 1HB ARG 102 123.401 3.864 -6.003 172 1HG ARG 102 2HG ARG 102 124.168 2.375 -7.854 173 2HG ARG 102 1HG ARG 102 123.458 1.020 -6.975 174 1HD ARG 102 2HD ARG 102 121.281 1.869 -7.208 175 2HD ARG 102 1HD ARG 102 121.864 3.470 -7.660 176 HE ARG 102 HE ARG 102 122.624 1.401 -9.505 177 1HH1 ARG 102 1HH1 ARG 102 120.130 3.679 -8.630 178 2HH1 ARG 102 2HH1 ARG 102 119.450 3.739 -10.221 179 1HH2 ARG 102 1HH2 ARG 102 121.732 1.479 -11.600 180 2HH2 ARG 102 2HH2 ARG 102 120.359 2.488 -11.907 181 H MET 103 H MET 103 124.752 4.254 -3.330 182 HA MET 103 HA MET 103 125.503 6.703 -4.407 183 1HB MET 103 2HB MET 103 125.279 5.604 -1.650 184 2HB MET 103 1HB MET 103 126.134 7.127 -1.853 185 1HG MET 103 2HG MET 103 123.921 7.621 -3.307 186 2HG MET 103 1HG MET 103 123.271 6.513 -2.100 187 1HE MET 103 1HE MET 103 122.192 9.029 -2.608 188 2HE MET 103 2HE MET 103 123.178 10.460 -2.307 189 3HE MET 103 3HE MET 103 122.030 9.909 -1.087 190 H PHE 104 H PHE 104 127.454 4.080 -3.235 191 HA PHE 104 HA PHE 104 129.867 5.645 -3.036 192 1HB PHE 104 2HB PHE 104 129.028 2.930 -2.385 193 2HB PHE 104 1HB PHE 104 130.627 2.975 -3.121 194 HD1 PHE 104 HD1 PHE 104 132.436 3.245 -1.741 195 HD2 PHE 104 HD2 PHE 104 128.658 4.767 -0.507 196 HE1 PHE 104 HE1 PHE 104 133.414 3.909 0.417 197 HE2 PHE 104 HE2 PHE 104 129.630 5.437 1.653 198 HZ PHE 104 HZ PHE 104 132.011 5.008 2.116 199 H ASP 105 H ASP 105 128.183 3.960 -5.518 200 HA ASP 105 HA ASP 105 130.536 3.668 -7.196 201 1HB ASP 105 2HB ASP 105 127.690 2.797 -7.345 202 2HB ASP 105 1HB ASP 105 128.566 2.993 -8.859 203 H LYS 106 H LYS 106 131.096 4.987 -8.840 204 HA LYS 106 HA LYS 106 129.461 7.394 -9.225 205 1HB LYS 106 2HB LYS 106 132.387 6.814 -9.568 206 2HB LYS 106 1HB LYS 106 131.650 8.191 -10.374 207 1HG LYS 106 2HG LYS 106 131.413 7.750 -7.415 208 2HG LYS 106 1HG LYS 106 132.762 8.627 -8.142 209 1HD LYS 106 2HD LYS 106 131.513 10.451 -8.535 210 2HD LYS 106 1HD LYS 106 130.132 9.500 -9.085 211 1HE LYS 106 2HE LYS 106 129.336 9.188 -6.901 212 2HE LYS 106 1HE LYS 106 130.871 9.672 -6.181 213 1HZ LYS 106 1HZ LYS 106 129.345 11.597 -7.803 214 2HZ LYS 106 2HZ LYS 106 130.447 11.890 -6.554 215 3HZ LYS 106 3HZ LYS 106 128.897 11.315 -6.196 216 H ASN 107 H ASN 107 131.211 4.887 -11.016 217 HA ASN 107 HA ASN 107 130.010 5.813 -13.515 218 1HB ASN 107 2HB ASN 107 131.502 4.098 -14.561 219 2HB ASN 107 1HB ASN 107 132.362 5.337 -13.652 220 1HD2 ASN 107 1HD2 ASN 107 133.540 2.941 -14.279 221 2HD2 ASN 107 2HD2 ASN 107 133.778 2.021 -12.837 222 H ALA 108 H ALA 108 128.786 4.126 -11.146 223 HA ALA 108 HA ALA 108 127.351 2.367 -10.879 224 1HB ALA 108 1HB ALA 108 125.758 2.174 -12.938 225 2HB ALA 108 2HB ALA 108 126.611 3.617 -13.486 226 3HB ALA 108 3HB ALA 108 125.752 3.632 -11.946 227 H ASP 109 H ASP 109 129.315 0.934 -10.983 228 HA ASP 109 HA ASP 109 129.106 -0.899 -13.282 229 1HB ASP 109 2HB ASP 109 131.482 -1.482 -12.877 230 2HB ASP 109 1HB ASP 109 131.261 0.213 -13.303 231 H GLY 110 H GLY 110 128.432 -0.589 -10.049 232 1HA GLY 110 2HA GLY 110 127.491 -2.251 -8.698 233 2HA GLY 110 1HA GLY 110 128.161 -3.471 -9.771 234 H TYR 111 H TYR 111 130.753 -1.676 -9.375 235 HA TYR 111 HA TYR 111 131.495 -2.755 -6.746 236 1HB TYR 111 2HB TYR 111 133.347 -2.884 -9.124 237 2HB TYR 111 1HB TYR 111 133.541 -3.658 -7.555 238 HD1 TYR 111 HD1 TYR 111 131.589 -3.725 -10.697 239 HD2 TYR 111 HD2 TYR 111 132.609 -5.794 -7.121 240 HE1 TYR 111 HE1 TYR 111 130.528 -5.762 -11.578 241 HE2 TYR 111 HE2 TYR 111 131.554 -7.836 -7.994 242 HH TYR 111 HH TYR 111 130.972 -8.483 -10.961 243 H ILE 112 H ILE 112 133.195 -1.637 -5.685 244 HA ILE 112 HA ILE 112 133.586 1.098 -6.702 245 HB ILE 112 HB ILE 112 133.882 0.154 -3.850 246 1HG1 ILE 112 2HG1 ILE 112 131.633 1.924 -4.556 247 2HG1 ILE 112 1HG1 ILE 112 131.510 0.291 -5.201 248 1HG2 ILE 112 1HG2 ILE 112 133.676 2.937 -4.994 249 2HG2 ILE 112 2HG2 ILE 112 135.167 2.163 -4.459 250 3HG2 ILE 112 3HG2 ILE 112 133.888 2.512 -3.295 251 1HD1 ILE 112 1HD1 ILE 112 132.252 0.501 -2.360 252 2HD1 ILE 112 2HD1 ILE 112 131.164 -0.621 -3.176 253 3HD1 ILE 112 3HD1 ILE 112 130.617 1.009 -2.783 254 H ASP 113 H ASP 113 135.531 1.533 -7.485 255 HA ASP 113 HA ASP 113 137.825 -0.044 -6.536 256 1HB ASP 113 2HB ASP 113 138.914 0.799 -8.679 257 2HB ASP 113 1HB ASP 113 137.587 -0.342 -8.877 258 H LEU 114 H LEU 114 139.968 1.262 -6.847 259 HA LEU 114 HA LEU 114 140.059 3.255 -4.925 260 1HB LEU 114 2HB LEU 114 141.934 2.608 -7.191 261 2HB LEU 114 1HB LEU 114 142.296 3.832 -5.988 262 HG LEU 114 HG LEU 114 141.573 1.158 -4.946 263 1HD1 LEU 114 1HD1 LEU 114 143.850 1.633 -6.766 264 2HD1 LEU 114 2HD1 LEU 114 142.967 0.149 -6.413 265 3HD1 LEU 114 3HD1 LEU 114 144.190 0.735 -5.287 266 1HD2 LEU 114 1HD2 LEU 114 142.192 2.486 -3.217 267 2HD2 LEU 114 2HD2 LEU 114 143.250 3.483 -4.215 268 3HD2 LEU 114 3HD2 LEU 114 143.794 1.898 -3.663 269 H GLU 115 H GLU 115 139.825 3.563 -8.446 270 HA GLU 115 HA GLU 115 140.086 6.353 -8.587 271 1HB GLU 115 2HB GLU 115 139.594 4.232 -10.382 272 2HB GLU 115 1HB GLU 115 138.279 5.378 -10.607 273 1HG GLU 115 2HG GLU 115 139.674 6.416 -11.995 274 2HG GLU 115 1HG GLU 115 140.444 7.027 -10.532 275 H GLU 116 H GLU 116 137.187 4.308 -8.360 276 HA GLU 116 HA GLU 116 135.298 6.377 -8.445 277 1HB GLU 116 2HB GLU 116 135.310 3.541 -7.575 278 2HB GLU 116 1HB GLU 116 134.002 4.545 -6.967 279 1HG GLU 116 2HG GLU 116 133.425 3.330 -9.031 280 2HG GLU 116 1HG GLU 116 133.298 5.081 -9.196 281 H LEU 117 H LEU 117 136.667 4.673 -5.631 282 HA LEU 117 HA LEU 117 135.377 6.173 -3.659 283 1HB LEU 117 2HB LEU 117 136.773 4.008 -3.467 284 2HB LEU 117 1HB LEU 117 138.152 5.080 -3.312 285 HG LEU 117 HG LEU 117 137.162 6.092 -1.314 286 1HD1 LEU 117 1HD1 LEU 117 135.170 4.935 -0.302 287 2HD1 LEU 117 2HD1 LEU 117 134.918 4.169 -1.869 288 3HD1 LEU 117 3HD1 LEU 117 134.837 5.923 -1.723 289 1HD2 LEU 117 1HD2 LEU 117 138.395 3.687 -1.480 290 2HD2 LEU 117 2HD2 LEU 117 136.912 3.244 -0.635 291 3HD2 LEU 117 3HD2 LEU 117 137.971 4.485 0.034 292 H LYS 118 H LYS 118 138.234 6.844 -5.549 293 HA LYS 118 HA LYS 118 139.325 8.903 -3.977 294 1HB LYS 118 2HB LYS 118 140.377 7.696 -5.968 295 2HB LYS 118 1HB LYS 118 139.460 8.797 -6.986 296 1HG LYS 118 2HG LYS 118 140.884 10.252 -4.954 297 2HG LYS 118 1HG LYS 118 141.980 9.214 -5.866 298 1HD LYS 118 2HD LYS 118 141.305 10.200 -7.936 299 2HD LYS 118 1HD LYS 118 140.000 11.089 -7.149 300 1HE LYS 118 2HE LYS 118 141.969 12.081 -5.723 301 2HE LYS 118 1HE LYS 118 142.940 11.590 -7.111 302 1HZ LYS 118 1HZ LYS 118 140.761 12.877 -8.178 303 2HZ LYS 118 2HZ LYS 118 142.330 13.493 -8.045 304 3HZ LYS 118 3HZ LYS 118 141.192 13.818 -6.838 305 H ILE 119 H ILE 119 136.703 8.851 -6.281 306 HA ILE 119 HA ILE 119 136.509 11.702 -6.540 307 HB ILE 119 HB ILE 119 134.392 9.647 -7.177 308 1HG1 ILE 119 2HG1 ILE 119 136.212 10.803 -9.248 309 2HG1 ILE 119 1HG1 ILE 119 136.805 9.478 -8.252 310 1HG2 ILE 119 1HG2 ILE 119 134.086 11.620 -8.985 311 2HG2 ILE 119 2HG2 ILE 119 134.681 12.547 -7.608 312 3HG2 ILE 119 3HG2 ILE 119 133.229 11.559 -7.445 313 1HD1 ILE 119 1HD1 ILE 119 134.577 8.329 -8.956 314 2HD1 ILE 119 2HD1 ILE 119 135.951 8.363 -10.062 315 3HD1 ILE 119 3HD1 ILE 119 134.620 9.500 -10.273 316 H MET 120 H MET 120 134.838 9.212 -4.664 317 HA MET 120 HA MET 120 132.808 10.772 -3.570 318 1HB MET 120 2HB MET 120 133.405 8.187 -3.389 319 2HB MET 120 1HB MET 120 134.104 8.703 -1.861 320 1HG MET 120 2HG MET 120 131.767 9.875 -1.575 321 2HG MET 120 1HG MET 120 131.266 8.641 -2.729 322 1HE MET 120 1HE MET 120 133.441 9.297 0.189 323 2HE MET 120 2HE MET 120 134.056 7.652 0.349 324 3HE MET 120 3HE MET 120 132.838 8.252 1.474 325 H LEU 121 H LEU 121 136.096 10.183 -2.365 326 HA LEU 121 HA LEU 121 135.805 11.740 -0.014 327 1HB LEU 121 2HB LEU 121 138.121 10.618 -1.535 328 2HB LEU 121 1HB LEU 121 138.418 11.792 -0.266 329 HG LEU 121 HG LEU 121 138.649 9.444 0.492 330 1HD1 LEU 121 1HD1 LEU 121 136.725 9.791 2.340 331 2HD1 LEU 121 2HD1 LEU 121 136.822 11.426 1.684 332 3HD1 LEU 121 3HD1 LEU 121 138.262 10.656 2.352 333 1HD2 LEU 121 1HD2 LEU 121 135.706 9.333 -0.151 334 2HD2 LEU 121 2HD2 LEU 121 136.561 8.139 0.824 335 3HD2 LEU 121 3HD2 LEU 121 136.993 8.366 -0.870 336 H GLN 122 H GLN 122 137.041 12.456 -3.252 337 HA GLN 122 HA GLN 122 137.932 15.075 -2.686 338 1HB GLN 122 2HB GLN 122 137.213 13.603 -5.198 339 2HB GLN 122 1HB GLN 122 137.553 15.327 -5.255 340 1HG GLN 122 2HG GLN 122 139.487 13.487 -3.927 341 2HG GLN 122 1HG GLN 122 139.443 13.593 -5.686 342 1HE2 GLN 122 1HE2 GLN 122 139.083 16.136 -6.257 343 2HE2 GLN 122 2HE2 GLN 122 140.335 17.131 -5.602 344 H ALA 123 H ALA 123 134.807 13.733 -3.405 345 HA ALA 123 HA ALA 123 133.483 16.078 -4.220 346 1HB ALA 123 1HB ALA 123 131.622 14.805 -4.276 347 2HB ALA 123 2HB ALA 123 131.918 14.108 -2.682 348 3HB ALA 123 3HB ALA 123 132.778 13.487 -4.092 349 H THR 124 H THR 124 134.453 14.920 -1.089 350 HA THR 124 HA THR 124 132.658 16.471 0.470 351 HB THR 124 HB THR 124 133.992 15.863 2.342 352 HG1 THR 124 HG1 THR 124 136.068 15.249 0.511 353 1HG2 THR 124 1HG2 THR 124 133.654 13.676 2.256 354 2HG2 THR 124 2HG2 THR 124 134.807 13.468 0.939 355 3HG2 THR 124 3HG2 THR 124 133.138 13.920 0.588 356 H GLY 125 H GLY 125 133.868 18.018 2.189 357 1HA GLY 125 2HA GLY 125 134.996 20.156 0.522 358 2HA GLY 125 1HA GLY 125 134.234 20.372 2.090 359 H GLU 126 H GLU 126 136.497 17.790 1.737 360 HA GLU 126 HA GLU 126 138.569 19.409 3.061 361 1HB GLU 126 2HB GLU 126 137.787 16.564 3.727 362 2HB GLU 126 1HB GLU 126 139.139 17.438 4.436 363 1HG GLU 126 2HG GLU 126 136.802 19.017 4.748 364 2HG GLU 126 1HG GLU 126 136.436 17.374 5.272 365 H THR 127 H THR 127 140.718 18.069 3.088 366 HA THR 127 HA THR 127 141.111 17.043 0.355 367 HB THR 127 HB THR 127 143.409 17.818 0.501 368 HG1 THR 127 HG1 THR 127 142.737 18.737 3.098 369 1HG2 THR 127 1HG2 THR 127 142.814 19.841 -0.144 370 2HG2 THR 127 2HG2 THR 127 142.455 20.298 1.521 371 3HG2 THR 127 3HG2 THR 127 141.205 19.560 0.519 372 H ILE 128 H ILE 128 141.607 14.968 0.156 373 HA ILE 128 HA ILE 128 142.815 13.583 2.463 374 HB ILE 128 HB ILE 128 141.018 12.274 0.427 375 1HG1 ILE 128 2HG1 ILE 128 139.773 14.011 1.677 376 2HG1 ILE 128 1HG1 ILE 128 139.221 12.385 2.067 377 1HG2 ILE 128 1HG2 ILE 128 142.480 11.408 2.841 378 2HG2 ILE 128 2HG2 ILE 128 142.076 10.515 1.375 379 3HG2 ILE 128 3HG2 ILE 128 140.857 10.756 2.626 380 1HD1 ILE 128 1HD1 ILE 128 139.401 13.029 4.186 381 2HD1 ILE 128 2HD1 ILE 128 140.403 14.420 3.774 382 3HD1 ILE 128 3HD1 ILE 128 141.140 12.829 3.964 383 H THR 129 H THR 129 144.230 11.809 1.972 384 HA THR 129 HA THR 129 145.695 12.250 -0.518 385 HB THR 129 HB THR 129 147.441 10.817 0.592 386 HG1 THR 129 HG1 THR 129 145.844 9.835 2.052 387 1HG2 THR 129 1HG2 THR 129 148.286 12.771 1.178 388 2HG2 THR 129 2HG2 THR 129 147.389 12.654 2.692 389 3HG2 THR 129 3HG2 THR 129 146.677 13.482 1.307 390 H GLU 130 H GLU 130 146.526 10.378 -1.705 391 HA GLU 130 HA GLU 130 144.434 8.496 -2.230 392 1HB GLU 130 2HB GLU 130 145.950 7.622 -3.956 393 2HB GLU 130 1HB GLU 130 145.801 9.372 -4.048 394 1HG GLU 130 2HG GLU 130 148.026 8.374 -2.407 395 2HG GLU 130 1HG GLU 130 148.139 8.043 -4.135 396 H ASP 131 H ASP 131 147.213 8.522 -0.210 397 HA ASP 131 HA ASP 131 147.743 5.746 -0.122 398 1HB ASP 131 2HB ASP 131 148.275 7.920 1.913 399 2HB ASP 131 1HB ASP 131 148.912 6.281 2.018 400 H ASP 132 H ASP 132 145.972 7.843 2.160 401 HA ASP 132 HA ASP 132 145.092 5.862 3.892 402 1HB ASP 132 2HB ASP 132 144.140 8.595 3.181 403 2HB ASP 132 1HB ASP 132 143.059 7.569 4.120 404 H ILE 133 H ILE 133 143.571 7.088 0.935 405 HA ILE 133 HA ILE 133 141.221 5.524 1.133 406 HB ILE 133 HB ILE 133 142.494 6.593 -1.390 407 1HG1 ILE 133 2HG1 ILE 133 140.335 7.950 0.214 408 2HG1 ILE 133 1HG1 ILE 133 142.040 8.253 0.530 409 1HG2 ILE 133 1HG2 ILE 133 139.801 5.486 -0.718 410 2HG2 ILE 133 2HG2 ILE 133 140.830 5.166 -2.114 411 3HG2 ILE 133 3HG2 ILE 133 139.964 6.696 -1.991 412 1HD1 ILE 133 1HD1 ILE 133 142.263 9.553 -1.270 413 2HD1 ILE 133 2HD1 ILE 133 140.504 9.657 -1.204 414 3HD1 ILE 133 3HD1 ILE 133 141.278 8.494 -2.281 415 H GLU 134 H GLU 134 144.429 4.866 -0.040 416 HA GLU 134 HA GLU 134 143.801 2.584 -1.606 417 1HB GLU 134 2HB GLU 134 146.044 4.088 -1.228 418 2HB GLU 134 1HB GLU 134 146.450 2.641 -0.314 419 1HG GLU 134 2HG GLU 134 145.632 1.418 -2.481 420 2HG GLU 134 1HG GLU 134 145.983 2.974 -3.233 421 H GLU 135 H GLU 135 144.399 3.098 1.797 422 HA GLU 135 HA GLU 135 144.393 0.214 2.297 423 1HB GLU 135 2HB GLU 135 145.020 0.819 4.602 424 2HB GLU 135 1HB GLU 135 146.137 1.484 3.418 425 1HG GLU 135 2HG GLU 135 145.504 3.636 3.817 426 2HG GLU 135 1HG GLU 135 143.874 3.183 4.311 427 H LEU 136 H LEU 136 142.003 1.828 1.486 428 HA LEU 136 HA LEU 136 140.330 1.530 3.877 429 1HB LEU 136 2HB LEU 136 140.445 3.490 1.885 430 2HB LEU 136 1HB LEU 136 138.971 2.601 1.555 431 HG LEU 136 HG LEU 136 139.390 3.395 4.373 432 1HD1 LEU 136 1HD1 LEU 136 139.231 5.344 2.139 433 2HD1 LEU 136 2HD1 LEU 136 140.036 5.474 3.703 434 3HD1 LEU 136 3HD1 LEU 136 138.287 5.668 3.593 435 1HD2 LEU 136 1HD2 LEU 136 137.034 3.691 4.332 436 2HD2 LEU 136 2HD2 LEU 136 137.381 2.208 3.444 437 3HD2 LEU 136 3HD2 LEU 136 136.998 3.690 2.569 438 H MET 137 H MET 137 140.657 0.470 0.536 439 HA MET 137 HA MET 137 138.272 -1.098 0.510 440 1HB MET 137 2HB MET 137 140.663 -1.514 -1.277 441 2HB MET 137 1HB MET 137 138.976 -1.864 -1.622 442 1HG MET 137 2HG MET 137 140.241 0.854 -1.363 443 2HG MET 137 1HG MET 137 139.667 0.084 -2.843 444 1HE MET 137 1HE MET 137 136.768 1.016 -3.629 445 2HE MET 137 2HE MET 137 136.042 -0.197 -2.576 446 3HE MET 137 3HE MET 137 137.569 -0.537 -3.388 447 H LYS 138 H LYS 138 141.495 -1.603 1.644 448 HA LYS 138 HA LYS 138 141.659 -4.398 1.501 449 1HB LYS 138 2HB LYS 138 143.481 -2.692 2.116 450 2HB LYS 138 1HB LYS 138 142.832 -2.774 3.747 451 1HG LYS 138 2HG LYS 138 143.508 -5.326 2.397 452 2HG LYS 138 1HG LYS 138 144.833 -4.303 2.955 453 1HD LYS 138 2HD LYS 138 144.409 -4.725 5.125 454 2HD LYS 138 1HD LYS 138 142.660 -4.665 4.896 455 1HE LYS 138 2HE LYS 138 143.279 -6.891 5.556 456 2HE LYS 138 1HE LYS 138 142.769 -6.919 3.867 457 1HZ LYS 138 1HZ LYS 138 145.384 -7.425 5.023 458 2HZ LYS 138 2HZ LYS 138 145.383 -6.536 3.584 459 3HZ LYS 138 3HZ LYS 138 144.671 -8.069 3.629 460 H ASP 139 H ASP 139 140.094 -2.266 3.801 461 HA ASP 139 HA ASP 139 139.414 -4.493 5.550 462 1HB ASP 139 2HB ASP 139 139.783 -1.705 5.917 463 2HB ASP 139 1HB ASP 139 138.104 -2.060 6.308 464 H GLY 140 H GLY 140 138.272 -3.766 2.707 465 1HA GLY 140 2HA GLY 140 135.452 -4.133 3.500 466 2HA GLY 140 1HA GLY 140 135.927 -3.157 2.118 467 H ASP 141 H ASP 141 137.990 -4.947 1.192 468 HA ASP 141 HA ASP 141 136.260 -7.043 0.082 469 1HB ASP 141 2HB ASP 141 138.094 -7.183 -1.690 470 2HB ASP 141 1HB ASP 141 137.106 -5.726 -1.685 471 H LYS 142 H LYS 142 136.504 -9.006 0.825 472 HA LYS 142 HA LYS 142 138.771 -9.745 2.433 473 1HB LYS 142 2HB LYS 142 136.175 -10.991 1.684 474 2HB LYS 142 1HB LYS 142 137.468 -12.060 2.212 475 1HG LYS 142 2HG LYS 142 135.925 -11.353 4.021 476 2HG LYS 142 1HG LYS 142 137.616 -10.956 4.323 477 1HD LYS 142 2HD LYS 142 137.109 -8.656 3.400 478 2HD LYS 142 1HD LYS 142 135.403 -9.105 3.461 479 1HE LYS 142 2HE LYS 142 135.385 -9.214 5.780 480 2HE LYS 142 1HE LYS 142 137.136 -9.401 5.882 481 1HZ LYS 142 1HZ LYS 142 135.545 -6.964 5.507 482 2HZ LYS 142 2HZ LYS 142 137.097 -7.025 4.838 483 3HZ LYS 142 3HZ LYS 142 136.886 -7.231 6.504 484 H ASN 143 H ASN 143 137.897 -10.050 -0.885 485 HA ASN 143 HA ASN 143 139.745 -12.241 -1.365 486 1HB ASN 143 2HB ASN 143 139.029 -11.921 -3.762 487 2HB ASN 143 1HB ASN 143 137.731 -12.331 -2.646 488 1HD2 ASN 143 1HD2 ASN 143 136.789 -11.361 -4.806 489 2HD2 ASN 143 2HD2 ASN 143 136.353 -9.692 -4.692 490 H ASN 144 H ASN 144 140.167 -9.064 -0.809 491 HA ASN 144 HA ASN 144 141.711 -7.487 -1.358 492 1HB ASN 144 2HB ASN 144 143.013 -9.763 -0.668 493 2HB ASN 144 1HB ASN 144 143.682 -9.490 -2.273 494 1HD2 ASN 144 1HD2 ASN 144 145.708 -8.947 -1.606 495 2HD2 ASN 144 2HD2 ASN 144 146.069 -7.502 -0.730 496 H ASP 145 H ASP 145 139.939 -8.418 -3.532 497 HA ASP 145 HA ASP 145 141.443 -8.517 -5.947 498 1HB ASP 145 2HB ASP 145 139.222 -8.123 -7.035 499 2HB ASP 145 1HB ASP 145 139.238 -9.479 -5.912 500 H GLY 146 H GLY 146 140.243 -5.950 -3.946 501 1HA GLY 146 2HA GLY 146 141.207 -3.760 -4.121 502 2HA GLY 146 1HA GLY 146 141.380 -4.018 -5.851 503 H ARG 147 H ARG 147 138.402 -5.183 -5.051 504 HA ARG 147 HA ARG 147 137.065 -2.585 -5.263 505 1HB ARG 147 2HB ARG 147 136.563 -4.963 -7.060 506 2HB ARG 147 1HB ARG 147 135.515 -3.554 -6.967 507 1HG ARG 147 2HG ARG 147 137.776 -2.288 -7.489 508 2HG ARG 147 1HG ARG 147 138.197 -3.850 -8.194 509 1HD ARG 147 2HD ARG 147 135.844 -3.639 -9.316 510 2HD ARG 147 1HD ARG 147 136.058 -1.922 -8.982 511 HE ARG 147 HE ARG 147 138.382 -2.751 -10.210 512 1HH1 ARG 147 1HH1 ARG 147 134.989 -2.648 -11.017 513 2HH1 ARG 147 2HH1 ARG 147 135.270 -2.462 -12.716 514 1HH2 ARG 147 1HH2 ARG 147 138.754 -2.507 -12.444 515 2HH2 ARG 147 2HH2 ARG 147 137.407 -2.382 -13.527 516 H ILE 148 H ILE 148 134.935 -2.538 -4.459 517 HA ILE 148 HA ILE 148 134.289 -4.823 -2.720 518 HB ILE 148 HB ILE 148 133.328 -1.977 -2.419 519 1HG1 ILE 148 2HG1 ILE 148 135.449 -3.344 -0.765 520 2HG1 ILE 148 1HG1 ILE 148 135.839 -2.342 -2.160 521 1HG2 ILE 148 1HG2 ILE 148 132.834 -4.507 -0.991 522 2HG2 ILE 148 2HG2 ILE 148 131.815 -3.077 -1.158 523 3HG2 ILE 148 3HG2 ILE 148 133.125 -3.094 0.023 524 1HD1 ILE 148 1HD1 ILE 148 134.382 -1.448 0.316 525 2HD1 ILE 148 2HD1 ILE 148 134.736 -0.440 -1.087 526 3HD1 ILE 148 3HD1 ILE 148 136.055 -1.084 -0.107 527 H ASP 149 H ASP 149 132.539 -5.973 -3.137 528 HA ASP 149 HA ASP 149 130.581 -4.918 -5.058 529 1HB ASP 149 2HB ASP 149 129.912 -7.282 -5.376 530 2HB ASP 149 1HB ASP 149 131.613 -7.012 -5.740 531 H TYR 150 H TYR 150 128.324 -6.110 -4.656 532 HA TYR 150 HA TYR 150 127.239 -4.927 -2.359 533 1HB TYR 150 2HB TYR 150 125.975 -5.492 -4.446 534 2HB TYR 150 1HB TYR 150 126.014 -7.182 -3.958 535 HD1 TYR 150 HD1 TYR 150 125.079 -7.630 -1.510 536 HD2 TYR 150 HD2 TYR 150 124.116 -4.231 -3.883 537 HE1 TYR 150 HE1 TYR 150 123.027 -7.301 -0.195 538 HE2 TYR 150 HE2 TYR 150 122.063 -3.899 -2.576 539 HH TYR 150 HH TYR 150 121.454 -5.560 0.355 540 H ASP 151 H ASP 151 128.548 -8.111 -2.915 541 HA ASP 151 HA ASP 151 127.405 -9.395 -0.666 542 1HB ASP 151 2HB ASP 151 129.449 -9.998 -2.672 543 2HB ASP 151 1HB ASP 151 129.798 -10.701 -1.096 544 H GLU 152 H GLU 152 130.728 -8.201 -1.152 545 HA GLU 152 HA GLU 152 131.505 -8.497 1.537 546 1HB GLU 152 2HB GLU 152 132.708 -6.478 -0.340 547 2HB GLU 152 1HB GLU 152 133.497 -7.378 0.947 548 1HG GLU 152 2HG GLU 152 133.010 -9.462 -0.418 549 2HG GLU 152 1HG GLU 152 132.601 -8.369 -1.739 550 H PHE 153 H PHE 153 129.877 -5.920 -0.160 551 HA PHE 153 HA PHE 153 130.333 -3.814 1.625 552 1HB PHE 153 2HB PHE 153 129.209 -2.781 -0.011 553 2HB PHE 153 1HB PHE 153 128.662 -4.322 -0.651 554 HD1 PHE 153 HD1 PHE 153 126.405 -4.677 -0.804 555 HD2 PHE 153 HD2 PHE 153 127.862 -1.970 2.136 556 HE1 PHE 153 HE1 PHE 153 124.096 -4.127 -0.177 557 HE2 PHE 153 HE2 PHE 153 125.552 -1.417 2.771 558 HZ PHE 153 HZ PHE 153 123.668 -2.500 1.611 559 H LEU 154 H LEU 154 127.845 -6.330 1.625 560 HA LEU 154 HA LEU 154 126.190 -5.425 3.637 561 1HB LEU 154 2HB LEU 154 126.844 -8.005 2.435 562 2HB LEU 154 1HB LEU 154 126.335 -8.149 4.105 563 HG LEU 154 HG LEU 154 124.504 -8.403 2.419 564 1HD1 LEU 154 1HD1 LEU 154 123.645 -6.033 3.895 565 2HD1 LEU 154 2HD1 LEU 154 124.469 -7.234 4.889 566 3HD1 LEU 154 3HD1 LEU 154 123.046 -7.690 3.953 567 1HD2 LEU 154 1HD2 LEU 154 125.078 -6.831 0.753 568 2HD2 LEU 154 2HD2 LEU 154 125.177 -5.515 1.922 569 3HD2 LEU 154 3HD2 LEU 154 123.611 -6.217 1.514 570 H GLU 155 H GLU 155 129.371 -6.867 3.893 571 HA GLU 155 HA GLU 155 129.190 -7.114 6.780 572 1HB GLU 155 2HB GLU 155 131.150 -7.903 4.687 573 2HB GLU 155 1HB GLU 155 131.771 -7.628 6.308 574 1HG GLU 155 2HG GLU 155 130.217 -9.274 7.197 575 2HG GLU 155 1HG GLU 155 129.559 -9.535 5.581 576 H PHE 156 H PHE 156 130.771 -5.042 4.395 577 HA PHE 156 HA PHE 156 132.499 -3.626 6.023 578 1HB PHE 156 2HB PHE 156 131.805 -3.445 3.416 579 2HB PHE 156 1HB PHE 156 130.997 -2.013 4.041 580 HD1 PHE 156 HD1 PHE 156 133.244 -2.049 2.032 581 HD2 PHE 156 HD2 PHE 156 133.249 -1.711 6.275 582 HE1 PHE 156 HE1 PHE 156 135.371 -0.816 1.929 583 HE2 PHE 156 HE2 PHE 156 135.374 -0.478 6.178 584 HZ PHE 156 HZ PHE 156 136.438 -0.028 4.005 585 H MET 157 H MET 157 129.042 -3.532 5.912 586 HA MET 157 HA MET 157 128.804 -1.029 7.321 587 1HB MET 157 2HB MET 157 126.790 -3.194 6.689 588 2HB MET 157 1HB MET 157 126.388 -1.691 7.508 589 1HG MET 157 2HG MET 157 127.733 -1.655 4.840 590 2HG MET 157 1HG MET 157 125.992 -1.896 4.970 591 1HE MET 157 1HE MET 157 128.326 0.258 3.935 592 2HE MET 157 2HE MET 157 127.798 1.905 4.279 593 3HE MET 157 3HE MET 157 126.794 0.846 3.289 594 H LYS 158 H LYS 158 127.539 -4.226 8.217 595 HA LYS 158 HA LYS 158 127.484 -3.706 10.971 596 1HB LYS 158 2HB LYS 158 127.201 -6.106 9.252 597 2HB LYS 158 1HB LYS 158 127.583 -6.396 10.943 598 1HG LYS 158 2HG LYS 158 125.609 -4.777 11.403 599 2HG LYS 158 1HG LYS 158 125.150 -5.153 9.741 600 1HD LYS 158 2HD LYS 158 125.029 -7.502 10.254 601 2HD LYS 158 1HD LYS 158 125.660 -7.220 11.878 602 1HE LYS 158 2HE LYS 158 123.686 -6.004 12.497 603 2HE LYS 158 1HE LYS 158 123.080 -6.056 10.842 604 1HZ LYS 158 1HZ LYS 158 121.998 -7.698 12.255 605 2HZ LYS 158 2HZ LYS 158 123.491 -8.419 12.596 606 3HZ LYS 158 3HZ LYS 158 122.877 -8.449 11.020 607 H GLY 159 H GLY 159 129.699 -2.725 11.043 608 1HA GLY 159 2HA GLY 159 131.531 -3.321 12.588 609 2HA GLY 159 1HA GLY 159 131.699 -4.810 11.671 610 H VAL 160 H VAL 160 132.233 -1.353 11.667 611 HA VAL 160 HA VAL 160 133.748 -1.531 9.170 612 HB VAL 160 HB VAL 160 133.312 0.993 10.745 613 1HG1 VAL 160 1HG1 VAL 160 134.839 0.547 8.587 614 2HG1 VAL 160 2HG1 VAL 160 134.034 2.084 8.903 615 3HG1 VAL 160 3HG1 VAL 160 133.308 0.921 7.795 616 1HG2 VAL 160 1HG2 VAL 160 131.440 -0.036 8.622 617 2HG2 VAL 160 2HG2 VAL 160 131.259 1.413 9.609 618 3HG2 VAL 160 3HG2 VAL 160 131.127 -0.181 10.351 619 H GLU 161 H GLU 161 134.847 -2.851 11.404 620 HA GLU 161 HA GLU 161 137.082 -1.107 12.184 621 1HB GLU 161 2HB GLU 161 137.520 -2.829 13.938 622 2HB GLU 161 1HB GLU 161 135.957 -2.040 14.092 623 1HG GLU 161 2HG GLU 161 134.845 -3.950 13.843 624 2HG GLU 161 1HG GLU 161 135.843 -4.457 12.480 Start of MODEL 18 1 1H MET 81 1HT MET 81 91.599 -14.063 3.279 2 2H MET 81 2HT MET 81 91.004 -12.932 2.133 3 3H MET 81 3HT MET 81 89.910 -13.879 3.055 4 HA MET 81 HA MET 81 90.205 -11.527 3.746 5 1HB MET 81 2HB MET 81 90.542 -13.946 5.494 6 2HB MET 81 1HB MET 81 90.476 -12.339 6.208 7 1HG MET 81 2HG MET 81 88.274 -12.103 5.817 8 2HG MET 81 1HG MET 81 88.343 -12.969 4.283 9 1HE MET 81 1HE MET 81 85.975 -13.208 6.437 10 2HE MET 81 2HE MET 81 85.674 -14.945 6.415 11 3HE MET 81 3HE MET 81 85.965 -14.082 4.905 12 H VAL 82 H VAL 82 91.633 -9.955 4.072 13 HA VAL 82 HA VAL 82 94.417 -10.699 4.684 14 HB VAL 82 HB VAL 82 93.463 -8.144 3.385 15 1HG1 VAL 82 1HG1 VAL 82 95.605 -7.458 3.328 16 2HG1 VAL 82 2HG1 VAL 82 96.225 -9.082 3.029 17 3HG1 VAL 82 3HG1 VAL 82 95.805 -8.586 4.668 18 1HG2 VAL 82 1HG2 VAL 82 93.362 -10.594 2.205 19 2HG2 VAL 82 2HG2 VAL 82 94.984 -10.059 1.767 20 3HG2 VAL 82 3HG2 VAL 82 93.586 -9.071 1.344 21 H ARG 83 H ARG 83 95.467 -9.760 6.377 22 HA ARG 83 HA ARG 83 94.609 -7.411 7.698 23 1HB ARG 83 2HB ARG 83 94.068 -8.672 9.900 24 2HB ARG 83 1HB ARG 83 92.817 -8.522 8.674 25 1HG ARG 83 2HG ARG 83 94.410 -10.914 8.308 26 2HG ARG 83 1HG ARG 83 93.658 -10.850 9.902 27 1HD ARG 83 2HD ARG 83 91.517 -10.208 8.607 28 2HD ARG 83 1HD ARG 83 92.365 -10.846 7.199 29 HE ARG 83 HE ARG 83 91.151 -12.350 9.286 30 1HH1 ARG 83 1HH1 ARG 83 93.836 -12.356 7.056 31 2HH1 ARG 83 2HH1 ARG 83 93.972 -14.081 7.029 32 1HH2 ARG 83 1HH2 ARG 83 91.329 -14.622 9.252 33 2HH2 ARG 83 2HH2 ARG 83 92.550 -15.368 8.275 34 H CYS 84 H CYS 84 96.309 -10.496 8.008 35 HA CYS 84 HA CYS 84 98.192 -9.491 9.924 36 1HB CYS 84 2HB CYS 84 97.571 -11.883 9.811 37 2HB CYS 84 1HB CYS 84 98.324 -11.989 8.224 38 HG CYS 84 HG CYS 84 99.966 -12.843 10.096 39 H MET 85 H MET 85 99.134 -7.670 8.993 40 HA MET 85 HA MET 85 100.521 -7.931 6.455 41 1HB MET 85 2HB MET 85 99.350 -5.801 7.858 42 2HB MET 85 1HB MET 85 101.077 -5.472 7.871 43 1HG MET 85 2HG MET 85 101.198 -5.299 5.574 44 2HG MET 85 1HG MET 85 99.726 -6.235 5.323 45 1HE MET 85 1HE MET 85 97.273 -5.092 6.502 46 2HE MET 85 2HE MET 85 97.591 -5.314 4.782 47 3HE MET 85 3HE MET 85 96.919 -3.791 5.365 48 H LYS 86 H LYS 86 102.558 -8.574 6.291 49 HA LYS 86 HA LYS 86 104.300 -8.337 8.657 50 1HB LYS 86 2HB LYS 86 105.568 -10.265 7.550 51 2HB LYS 86 1HB LYS 86 104.017 -10.639 8.287 52 1HG LYS 86 2HG LYS 86 103.021 -11.092 6.302 53 2HG LYS 86 1HG LYS 86 104.010 -9.932 5.413 54 1HD LYS 86 2HD LYS 86 105.925 -11.454 5.570 55 2HD LYS 86 1HD LYS 86 104.928 -12.613 6.453 56 1HE LYS 86 2HE LYS 86 103.853 -11.686 3.868 57 2HE LYS 86 1HE LYS 86 105.309 -12.678 3.783 58 1HZ LYS 86 1HZ LYS 86 104.099 -14.293 5.252 59 2HZ LYS 86 2HZ LYS 86 103.487 -14.143 3.683 60 3HZ LYS 86 3HZ LYS 86 102.692 -13.395 4.975 61 H ASP 87 H ASP 87 103.841 -6.407 6.418 62 HA ASP 87 HA ASP 87 106.652 -6.173 5.587 63 1HB ASP 87 2HB ASP 87 105.836 -5.206 3.423 64 2HB ASP 87 1HB ASP 87 105.474 -6.918 3.632 65 H ASP 88 H ASP 88 104.900 -4.929 7.729 66 HA ASP 88 HA ASP 88 104.943 -2.127 6.894 67 1HB ASP 88 2HB ASP 88 103.311 -3.682 8.676 68 2HB ASP 88 1HB ASP 88 104.028 -2.341 9.561 69 H SER 89 H SER 89 105.790 -3.852 9.902 70 HA SER 89 HA SER 89 107.471 -1.903 10.939 71 1HB SER 89 2HB SER 89 108.582 -4.091 12.020 72 2HB SER 89 1HB SER 89 107.014 -3.474 12.537 73 HG SER 89 HG SER 89 107.355 -5.435 10.517 74 H LYS 90 H LYS 90 108.228 -4.594 8.773 75 HA LYS 90 HA LYS 90 111.019 -4.334 8.796 76 1HB LYS 90 2HB LYS 90 109.047 -5.815 7.326 77 2HB LYS 90 1HB LYS 90 110.242 -5.174 6.207 78 1HG LYS 90 2HG LYS 90 111.911 -6.469 7.029 79 2HG LYS 90 1HG LYS 90 111.254 -6.473 8.666 80 1HD LYS 90 2HD LYS 90 109.610 -8.096 8.085 81 2HD LYS 90 1HD LYS 90 109.985 -7.949 6.367 82 1HE LYS 90 2HE LYS 90 112.362 -8.695 7.074 83 2HE LYS 90 1HE LYS 90 111.570 -9.257 8.546 84 1HZ LYS 90 1HZ LYS 90 111.418 -10.307 5.838 85 2HZ LYS 90 2HZ LYS 90 109.969 -10.306 6.711 86 3HZ LYS 90 3HZ LYS 90 111.323 -11.115 7.323 87 H GLY 91 H GLY 91 111.432 -2.069 8.756 88 1HA GLY 91 2HA GLY 91 110.761 -0.634 6.301 89 2HA GLY 91 1HA GLY 91 111.465 0.063 7.752 90 H LYS 92 H LYS 92 113.636 0.303 7.887 91 HA LYS 92 HA LYS 92 115.161 -0.297 5.482 92 1HB LYS 92 2HB LYS 92 115.472 1.541 7.797 93 2HB LYS 92 1HB LYS 92 116.944 0.987 7.008 94 1HG LYS 92 2HG LYS 92 116.584 2.828 5.754 95 2HG LYS 92 1HG LYS 92 115.564 1.711 4.844 96 1HD LYS 92 2HD LYS 92 113.861 2.600 6.796 97 2HD LYS 92 1HD LYS 92 114.834 4.034 6.468 98 1HE LYS 92 2HE LYS 92 113.642 2.430 4.234 99 2HE LYS 92 1HE LYS 92 112.687 3.641 5.088 100 1HZ LYS 92 1HZ LYS 92 114.128 4.211 2.960 101 2HZ LYS 92 2HZ LYS 92 115.317 4.462 4.136 102 3HZ LYS 92 3HZ LYS 92 113.869 5.334 4.200 103 H THR 93 H THR 93 115.675 -2.435 5.512 104 HA THR 93 HA THR 93 117.174 -3.424 7.846 105 HB THR 93 HB THR 93 116.104 -5.349 5.856 106 HG1 THR 93 HG1 THR 93 114.029 -5.199 6.649 107 1HG2 THR 93 1HG2 THR 93 115.277 -6.053 8.397 108 2HG2 THR 93 2HG2 THR 93 116.877 -5.348 8.635 109 3HG2 THR 93 3HG2 THR 93 116.663 -6.698 7.519 110 H GLU 94 H GLU 94 117.993 -5.799 6.188 111 HA GLU 94 HA GLU 94 120.495 -4.815 5.320 112 1HB GLU 94 2HB GLU 94 119.293 -7.335 5.783 113 2HB GLU 94 1HB GLU 94 119.922 -7.361 4.142 114 1HG GLU 94 2HG GLU 94 122.004 -7.569 4.862 115 2HG GLU 94 1HG GLU 94 121.832 -6.195 5.952 116 H GLU 95 H GLU 95 117.539 -4.571 3.832 117 HA GLU 95 HA GLU 95 118.587 -4.821 1.116 118 1HB GLU 95 2HB GLU 95 115.830 -4.542 2.270 119 2HB GLU 95 1HB GLU 95 116.121 -4.194 0.571 120 1HG GLU 95 2HG GLU 95 116.622 -6.800 1.984 121 2HG GLU 95 1HG GLU 95 115.344 -6.454 0.820 122 H GLU 96 H GLU 96 118.594 -2.492 3.420 123 HA GLU 96 HA GLU 96 118.007 -0.277 1.601 124 1HB GLU 96 2HB GLU 96 118.052 1.150 3.535 125 2HB GLU 96 1HB GLU 96 117.070 -0.258 3.914 126 1HG GLU 96 2HG GLU 96 118.281 -0.502 5.749 127 2HG GLU 96 1HG GLU 96 119.635 -0.960 4.717 128 H LEU 97 H LEU 97 120.644 -1.901 3.183 129 HA LEU 97 HA LEU 97 122.631 0.041 3.051 130 1HB LEU 97 2HB LEU 97 122.583 -2.927 3.103 131 2HB LEU 97 1HB LEU 97 124.085 -2.161 2.622 132 HG LEU 97 HG LEU 97 122.751 -1.266 5.141 133 1HD1 LEU 97 1HD1 LEU 97 124.388 -3.063 6.172 134 2HD1 LEU 97 2HD1 LEU 97 124.037 -3.899 4.659 135 3HD1 LEU 97 3HD1 LEU 97 122.722 -3.462 5.750 136 1HD2 LEU 97 1HD2 LEU 97 125.402 -1.118 3.863 137 2HD2 LEU 97 2HD2 LEU 97 125.403 -1.376 5.609 138 3HD2 LEU 97 3HD2 LEU 97 124.585 0.028 4.925 139 H SER 98 H SER 98 121.112 -1.735 0.514 140 HA SER 98 HA SER 98 123.189 -1.538 -1.415 141 1HB SER 98 2HB SER 98 121.273 -1.950 -3.047 142 2HB SER 98 1HB SER 98 121.520 -3.183 -1.811 143 HG SER 98 HG SER 98 119.748 -2.487 -0.743 144 H ASP 99 H ASP 99 120.610 0.579 -0.378 145 HA ASP 99 HA ASP 99 120.523 2.337 -2.550 146 1HB ASP 99 2HB ASP 99 118.882 2.355 -0.705 147 2HB ASP 99 1HB ASP 99 120.120 2.978 0.383 148 H LEU 100 H LEU 100 122.501 2.456 0.401 149 HA LEU 100 HA LEU 100 123.916 4.802 -0.407 150 1HB LEU 100 2HB LEU 100 124.371 2.762 1.758 151 2HB LEU 100 1HB LEU 100 125.470 4.100 1.489 152 HG LEU 100 HG LEU 100 122.546 4.582 1.973 153 1HD1 LEU 100 1HD1 LEU 100 123.286 5.009 4.374 154 2HD1 LEU 100 2HD1 LEU 100 124.703 4.034 3.987 155 3HD1 LEU 100 3HD1 LEU 100 123.090 3.328 3.876 156 1HD2 LEU 100 1HD2 LEU 100 125.069 6.203 2.205 157 2HD2 LEU 100 2HD2 LEU 100 123.541 6.710 2.927 158 3HD2 LEU 100 3HD2 LEU 100 123.665 6.500 1.180 159 H PHE 101 H PHE 101 124.290 1.402 -0.948 160 HA PHE 101 HA PHE 101 127.039 1.293 -1.494 161 1HB PHE 101 2HB PHE 101 125.585 -0.700 -1.196 162 2HB PHE 101 1HB PHE 101 124.849 -0.366 -2.761 163 HD1 PHE 101 HD1 PHE 101 127.844 -1.554 -1.037 164 HD2 PHE 101 HD2 PHE 101 126.046 -0.775 -4.815 165 HE1 PHE 101 HE1 PHE 101 129.608 -2.864 -2.143 166 HE2 PHE 101 HE2 PHE 101 127.807 -2.084 -5.927 167 HZ PHE 101 HZ PHE 101 129.591 -3.129 -4.591 168 H ARG 102 H ARG 102 124.296 1.648 -3.762 169 HA ARG 102 HA ARG 102 125.748 1.922 -6.100 170 1HB ARG 102 2HB ARG 102 123.056 2.772 -5.187 171 2HB ARG 102 1HB ARG 102 123.679 3.549 -6.636 172 1HG ARG 102 2HG ARG 102 123.761 1.547 -7.824 173 2HG ARG 102 1HG ARG 102 123.682 0.568 -6.357 174 1HD ARG 102 2HD ARG 102 121.372 1.406 -5.992 175 2HD ARG 102 1HD ARG 102 121.471 2.239 -7.543 176 HE ARG 102 HE ARG 102 121.020 -0.558 -7.108 177 1HH1 ARG 102 1HH1 ARG 102 122.282 1.797 -9.354 178 2HH1 ARG 102 2HH1 ARG 102 122.039 0.789 -10.741 179 1HH2 ARG 102 1HH2 ARG 102 120.700 -1.884 -8.930 180 2HH2 ARG 102 2HH2 ARG 102 121.139 -1.301 -10.501 181 H MET 103 H MET 103 124.908 4.359 -3.692 182 HA MET 103 HA MET 103 125.701 6.658 -5.027 183 1HB MET 103 2HB MET 103 126.018 6.040 -2.084 184 2HB MET 103 1HB MET 103 126.055 7.646 -2.802 185 1HG MET 103 2HG MET 103 123.676 5.866 -3.142 186 2HG MET 103 1HG MET 103 123.893 6.827 -1.682 187 1HE MET 103 1HE MET 103 123.167 9.861 -1.904 188 2HE MET 103 2HE MET 103 122.479 8.316 -1.405 189 3HE MET 103 3HE MET 103 121.617 9.333 -2.560 190 H PHE 104 H PHE 104 127.612 4.105 -3.677 191 HA PHE 104 HA PHE 104 130.075 5.627 -3.723 192 1HB PHE 104 2HB PHE 104 129.174 3.107 -2.611 193 2HB PHE 104 1HB PHE 104 130.706 2.911 -3.455 194 HD1 PHE 104 HD1 PHE 104 129.061 5.192 -1.008 195 HD2 PHE 104 HD2 PHE 104 132.651 3.307 -2.300 196 HE1 PHE 104 HE1 PHE 104 130.245 6.119 0.940 197 HE2 PHE 104 HE2 PHE 104 133.840 4.229 -0.355 198 HZ PHE 104 HZ PHE 104 132.637 5.638 1.269 199 H ASP 105 H ASP 105 128.217 4.006 -6.011 200 HA ASP 105 HA ASP 105 130.508 3.202 -7.635 201 1HB ASP 105 2HB ASP 105 127.952 2.137 -7.289 202 2HB ASP 105 1HB ASP 105 127.902 2.874 -8.887 203 H LYS 106 H LYS 106 131.128 4.227 -9.473 204 HA LYS 106 HA LYS 106 129.716 6.726 -10.117 205 1HB LYS 106 2HB LYS 106 132.042 7.019 -9.404 206 2HB LYS 106 1HB LYS 106 132.581 5.927 -10.672 207 1HG LYS 106 2HG LYS 106 132.947 8.262 -11.272 208 2HG LYS 106 1HG LYS 106 131.807 7.482 -12.370 209 1HD LYS 106 2HD LYS 106 129.964 8.585 -11.412 210 2HD LYS 106 1HD LYS 106 130.889 9.067 -9.989 211 1HE LYS 106 2HE LYS 106 132.348 10.259 -11.899 212 2HE LYS 106 1HE LYS 106 130.768 10.279 -12.683 213 1HZ LYS 106 1HZ LYS 106 130.831 11.129 -9.903 214 2HZ LYS 106 2HZ LYS 106 129.957 11.757 -11.209 215 3HZ LYS 106 3HZ LYS 106 131.587 12.164 -11.009 216 H ASN 107 H ASN 107 131.234 3.874 -11.565 217 HA ASN 107 HA ASN 107 130.065 4.587 -14.157 218 1HB ASN 107 2HB ASN 107 131.513 2.716 -15.017 219 2HB ASN 107 1HB ASN 107 132.393 4.071 -14.316 220 1HD2 ASN 107 1HD2 ASN 107 133.800 3.679 -12.744 221 2HD2 ASN 107 2HD2 ASN 107 133.991 2.169 -11.927 222 H ALA 108 H ALA 108 128.998 3.041 -11.539 223 HA ALA 108 HA ALA 108 127.597 1.286 -11.087 224 1HB ALA 108 1HB ALA 108 125.639 1.208 -12.521 225 2HB ALA 108 2HB ALA 108 126.505 2.090 -13.780 226 3HB ALA 108 3HB ALA 108 126.135 2.878 -12.246 227 H ASP 109 H ASP 109 129.282 -0.336 -11.237 228 HA ASP 109 HA ASP 109 128.874 -2.120 -13.544 229 1HB ASP 109 2HB ASP 109 131.253 -2.791 -13.362 230 2HB ASP 109 1HB ASP 109 131.055 -1.091 -13.781 231 H GLY 110 H GLY 110 128.446 -1.792 -10.286 232 1HA GLY 110 2HA GLY 110 127.481 -3.534 -8.985 233 2HA GLY 110 1HA GLY 110 128.357 -4.706 -9.959 234 H TYR 111 H TYR 111 130.727 -2.705 -9.569 235 HA TYR 111 HA TYR 111 131.416 -3.470 -6.818 236 1HB TYR 111 2HB TYR 111 133.222 -3.777 -9.230 237 2HB TYR 111 1HB TYR 111 133.694 -4.060 -7.558 238 HD1 TYR 111 HD1 TYR 111 131.315 -5.224 -10.172 239 HD2 TYR 111 HD2 TYR 111 133.429 -6.174 -6.605 240 HE1 TYR 111 HE1 TYR 111 130.579 -7.563 -10.366 241 HE2 TYR 111 HE2 TYR 111 132.701 -8.515 -6.790 242 HH TYR 111 HH TYR 111 131.524 -9.866 -9.512 243 H ILE 112 H ILE 112 133.025 -2.120 -5.828 244 HA ILE 112 HA ILE 112 133.167 0.543 -7.074 245 HB ILE 112 HB ILE 112 133.481 -0.134 -4.148 246 1HG1 ILE 112 2HG1 ILE 112 131.119 1.382 -5.078 247 2HG1 ILE 112 1HG1 ILE 112 131.148 -0.320 -5.533 248 1HG2 ILE 112 1HG2 ILE 112 133.642 2.358 -5.742 249 2HG2 ILE 112 2HG2 ILE 112 134.510 1.886 -4.280 250 3HG2 ILE 112 3HG2 ILE 112 132.844 2.452 -4.172 251 1HD1 ILE 112 1HD1 ILE 112 131.682 -0.706 -3.024 252 2HD1 ILE 112 2HD1 ILE 112 130.027 -0.365 -3.531 253 3HD1 ILE 112 3HD1 ILE 112 131.015 0.914 -2.824 254 H ASP 113 H ASP 113 135.092 1.599 -7.283 255 HA ASP 113 HA ASP 113 137.507 0.073 -6.562 256 1HB ASP 113 2HB ASP 113 136.736 0.608 -9.091 257 2HB ASP 113 1HB ASP 113 137.671 2.063 -8.753 258 H LEU 114 H LEU 114 139.504 1.662 -6.671 259 HA LEU 114 HA LEU 114 139.259 3.419 -4.504 260 1HB LEU 114 2HB LEU 114 141.367 3.024 -6.602 261 2HB LEU 114 1HB LEU 114 141.523 4.290 -5.399 262 HG LEU 114 HG LEU 114 141.155 1.386 -4.684 263 1HD1 LEU 114 1HD1 LEU 114 143.664 2.970 -5.153 264 2HD1 LEU 114 2HD1 LEU 114 143.195 1.422 -5.858 265 3HD1 LEU 114 3HD1 LEU 114 143.627 1.519 -4.151 266 1HD2 LEU 114 1HD2 LEU 114 142.399 3.512 -2.989 267 2HD2 LEU 114 2HD2 LEU 114 141.631 2.000 -2.504 268 3HD2 LEU 114 3HD2 LEU 114 140.644 3.348 -3.069 269 H GLU 115 H GLU 115 139.109 3.979 -7.975 270 HA GLU 115 HA GLU 115 139.252 6.790 -7.916 271 1HB GLU 115 2HB GLU 115 138.315 4.748 -9.868 272 2HB GLU 115 1HB GLU 115 137.804 6.411 -10.124 273 1HG GLU 115 2HG GLU 115 140.325 6.954 -9.836 274 2HG GLU 115 1HG GLU 115 140.548 5.241 -10.193 275 H GLU 116 H GLU 116 136.576 4.548 -7.521 276 HA GLU 116 HA GLU 116 134.490 6.456 -7.696 277 1HB GLU 116 2HB GLU 116 134.769 3.642 -6.838 278 2HB GLU 116 1HB GLU 116 133.427 4.520 -6.122 279 1HG GLU 116 2HG GLU 116 132.353 3.788 -7.952 280 2HG GLU 116 1HG GLU 116 133.082 5.217 -8.680 281 H LEU 117 H LEU 117 135.819 4.805 -4.833 282 HA LEU 117 HA LEU 117 134.524 6.419 -2.942 283 1HB LEU 117 2HB LEU 117 136.406 5.614 -1.405 284 2HB LEU 117 1HB LEU 117 135.346 4.410 -2.113 285 HG LEU 117 HG LEU 117 137.554 4.753 -3.876 286 1HD1 LEU 117 1HD1 LEU 117 139.407 4.858 -2.642 287 2HD1 LEU 117 2HD1 LEU 117 138.773 3.738 -1.436 288 3HD1 LEU 117 3HD1 LEU 117 138.370 5.452 -1.347 289 1HD2 LEU 117 1HD2 LEU 117 136.017 2.751 -3.306 290 2HD2 LEU 117 2HD2 LEU 117 137.189 2.428 -2.029 291 3HD2 LEU 117 3HD2 LEU 117 137.705 2.447 -3.715 292 H LYS 118 H LYS 118 137.181 7.117 -4.970 293 HA LYS 118 HA LYS 118 138.441 9.049 -3.270 294 1HB LYS 118 2HB LYS 118 138.816 8.008 -5.999 295 2HB LYS 118 1HB LYS 118 139.283 9.690 -5.784 296 1HG LYS 118 2HG LYS 118 140.238 7.647 -3.834 297 2HG LYS 118 1HG LYS 118 141.014 7.778 -5.415 298 1HD LYS 118 2HD LYS 118 141.179 10.293 -4.889 299 2HD LYS 118 1HD LYS 118 140.849 9.819 -3.222 300 1HE LYS 118 2HE LYS 118 143.129 8.850 -4.942 301 2HE LYS 118 1HE LYS 118 143.243 9.989 -3.601 302 1HZ LYS 118 1HZ LYS 118 143.544 7.288 -3.437 303 2HZ LYS 118 2HZ LYS 118 141.977 7.533 -2.850 304 3HZ LYS 118 3HZ LYS 118 143.283 8.335 -2.135 305 H ILE 119 H ILE 119 136.413 9.298 -6.202 306 HA ILE 119 HA ILE 119 136.279 12.070 -6.323 307 HB ILE 119 HB ILE 119 134.066 11.716 -7.499 308 1HG1 ILE 119 2HG1 ILE 119 134.779 8.795 -7.203 309 2HG1 ILE 119 1HG1 ILE 119 133.517 9.594 -6.273 310 1HG2 ILE 119 1HG2 ILE 119 136.674 10.545 -8.294 311 2HG2 ILE 119 2HG2 ILE 119 135.777 11.895 -8.991 312 3HG2 ILE 119 3HG2 ILE 119 135.275 10.238 -9.322 313 1HD1 ILE 119 1HD1 ILE 119 132.403 10.169 -8.421 314 2HD1 ILE 119 2HD1 ILE 119 132.494 8.441 -8.079 315 3HD1 ILE 119 3HD1 ILE 119 133.600 9.169 -9.244 316 H MET 120 H MET 120 134.212 9.807 -4.540 317 HA MET 120 HA MET 120 132.407 11.787 -3.602 318 1HB MET 120 2HB MET 120 131.593 10.068 -2.081 319 2HB MET 120 1HB MET 120 131.820 9.406 -3.692 320 1HG MET 120 2HG MET 120 133.158 7.839 -2.906 321 2HG MET 120 1HG MET 120 134.224 9.055 -2.203 322 1HE MET 120 1HE MET 120 134.427 6.623 -0.120 323 2HE MET 120 2HE MET 120 134.250 7.816 1.167 324 3HE MET 120 3HE MET 120 135.059 8.255 -0.337 325 H LEU 121 H LEU 121 135.485 10.602 -2.466 326 HA LEU 121 HA LEU 121 135.258 11.688 0.171 327 1HB LEU 121 2HB LEU 121 137.274 10.264 -1.401 328 2HB LEU 121 1HB LEU 121 137.958 11.452 -0.309 329 HG LEU 121 HG LEU 121 135.930 9.608 0.827 330 1HD1 LEU 121 1HD1 LEU 121 136.987 7.833 -0.091 331 2HD1 LEU 121 2HD1 LEU 121 138.111 8.115 1.241 332 3HD1 LEU 121 3HD1 LEU 121 138.482 8.726 -0.371 333 1HD2 LEU 121 1HD2 LEU 121 138.553 10.125 2.078 334 2HD2 LEU 121 2HD2 LEU 121 136.938 10.111 2.786 335 3HD2 LEU 121 3HD2 LEU 121 137.491 11.518 1.877 336 H GLN 122 H GLN 122 136.864 12.732 -2.817 337 HA GLN 122 HA GLN 122 138.020 15.073 -1.769 338 1HB GLN 122 2HB GLN 122 137.155 14.446 -4.598 339 2HB GLN 122 1HB GLN 122 138.176 15.801 -4.137 340 1HG GLN 122 2HG GLN 122 139.133 13.212 -3.181 341 2HG GLN 122 1HG GLN 122 139.063 13.355 -4.936 342 1HE2 GLN 122 1HE2 GLN 122 139.762 15.780 -2.459 343 2HE2 GLN 122 2HE2 GLN 122 141.342 16.173 -3.037 344 H ALA 123 H ALA 123 134.797 14.340 -2.831 345 HA ALA 123 HA ALA 123 133.970 17.082 -3.099 346 1HB ALA 123 1HB ALA 123 131.654 15.975 -3.148 347 2HB ALA 123 2HB ALA 123 132.540 14.451 -3.167 348 3HB ALA 123 3HB ALA 123 132.775 15.622 -4.464 349 H THR 124 H THR 124 134.639 15.182 -0.443 350 HA THR 124 HA THR 124 132.502 15.834 1.291 351 HB THR 124 HB THR 124 133.949 15.074 3.080 352 HG1 THR 124 HG1 THR 124 135.995 15.392 1.159 353 1HG2 THR 124 1HG2 THR 124 133.422 13.059 2.305 354 2HG2 THR 124 2HG2 THR 124 135.052 13.034 1.632 355 3HG2 THR 124 3HG2 THR 124 133.690 13.534 0.628 356 H GLY 125 H GLY 125 133.437 16.958 3.532 357 1HA GLY 125 2HA GLY 125 133.975 19.710 2.662 358 2HA GLY 125 1HA GLY 125 133.266 19.239 4.197 359 H GLU 126 H GLU 126 135.616 17.098 4.050 360 HA GLU 126 HA GLU 126 137.591 18.909 5.271 361 1HB GLU 126 2HB GLU 126 138.361 16.765 6.451 362 2HB GLU 126 1HB GLU 126 136.854 17.494 6.989 363 1HG GLU 126 2HG GLU 126 135.575 15.877 5.743 364 2HG GLU 126 1HG GLU 126 137.050 15.188 5.067 365 H THR 127 H THR 127 139.828 17.565 5.365 366 HA THR 127 HA THR 127 140.392 16.845 2.564 367 HB THR 127 HB THR 127 142.775 17.489 3.177 368 HG1 THR 127 HG1 THR 127 142.275 17.449 5.496 369 1HG2 THR 127 1HG2 THR 127 142.101 19.225 1.957 370 2HG2 THR 127 2HG2 THR 127 141.918 20.053 3.502 371 3HG2 THR 127 3HG2 THR 127 140.522 19.288 2.743 372 H ILE 128 H ILE 128 141.040 14.839 2.146 373 HA ILE 128 HA ILE 128 142.069 13.208 4.376 374 HB ILE 128 HB ILE 128 140.492 12.155 2.030 375 1HG1 ILE 128 2HG1 ILE 128 139.032 13.574 3.357 376 2HG1 ILE 128 1HG1 ILE 128 138.627 11.886 3.649 377 1HG2 ILE 128 1HG2 ILE 128 142.124 10.657 3.262 378 2HG2 ILE 128 2HG2 ILE 128 140.456 10.090 3.162 379 3HG2 ILE 128 3HG2 ILE 128 141.056 10.810 4.657 380 1HD1 ILE 128 1HD1 ILE 128 140.313 12.217 5.659 381 2HD1 ILE 128 2HD1 ILE 128 138.607 12.650 5.780 382 3HD1 ILE 128 3HD1 ILE 128 139.812 13.897 5.464 383 H THR 129 H THR 129 143.795 11.853 3.978 384 HA THR 129 HA THR 129 145.446 12.570 1.728 385 HB THR 129 HB THR 129 146.578 12.284 3.802 386 HG1 THR 129 HG1 THR 129 147.908 11.482 2.306 387 1HG2 THR 129 1HG2 THR 129 144.957 9.836 4.043 388 2HG2 THR 129 2HG2 THR 129 145.493 10.975 5.277 389 3HG2 THR 129 3HG2 THR 129 146.608 9.759 4.655 390 H GLU 130 H GLU 130 146.546 10.863 0.428 391 HA GLU 130 HA GLU 130 144.605 9.244 -0.872 392 1HB GLU 130 2HB GLU 130 146.906 10.347 -1.687 393 2HB GLU 130 1HB GLU 130 147.496 8.729 -1.329 394 1HG GLU 130 2HG GLU 130 146.851 8.188 -3.379 395 2HG GLU 130 1HG GLU 130 145.199 8.256 -2.767 396 H ASP 131 H ASP 131 147.054 8.639 1.549 397 HA ASP 131 HA ASP 131 147.154 5.831 1.340 398 1HB ASP 131 2HB ASP 131 147.996 7.866 3.313 399 2HB ASP 131 1HB ASP 131 147.721 6.251 3.962 400 H ASP 132 H ASP 132 145.242 7.944 3.472 401 HA ASP 132 HA ASP 132 143.909 5.932 4.877 402 1HB ASP 132 2HB ASP 132 143.272 8.798 4.261 403 2HB ASP 132 1HB ASP 132 142.090 7.791 5.093 404 H ILE 133 H ILE 133 143.102 7.531 1.829 405 HA ILE 133 HA ILE 133 140.563 6.298 1.520 406 HB ILE 133 HB ILE 133 142.345 7.404 -0.651 407 1HG1 ILE 133 2HG1 ILE 133 140.129 8.876 0.766 408 2HG1 ILE 133 1HG1 ILE 133 141.796 8.945 1.327 409 1HG2 ILE 133 1HG2 ILE 133 140.210 7.772 -1.838 410 2HG2 ILE 133 2HG2 ILE 133 139.372 6.930 -0.534 411 3HG2 ILE 133 3HG2 ILE 133 140.542 6.065 -1.534 412 1HD1 ILE 133 1HD1 ILE 133 142.380 9.723 -1.022 413 2HD1 ILE 133 2HD1 ILE 133 141.507 10.853 0.014 414 3HD1 ILE 133 3HD1 ILE 133 140.647 9.963 -1.245 415 H GLU 134 H GLU 134 143.815 5.288 0.838 416 HA GLU 134 HA GLU 134 143.039 3.171 -0.962 417 1HB GLU 134 2HB GLU 134 145.351 4.516 -0.641 418 2HB GLU 134 1HB GLU 134 145.698 3.100 0.342 419 1HG GLU 134 2HG GLU 134 145.352 1.641 -1.512 420 2HG GLU 134 1HG GLU 134 144.749 2.966 -2.507 421 H GLU 135 H GLU 135 143.612 3.551 2.450 422 HA GLU 135 HA GLU 135 143.963 0.814 3.091 423 1HB GLU 135 2HB GLU 135 143.215 3.257 4.666 424 2HB GLU 135 1HB GLU 135 143.158 1.667 5.413 425 1HG GLU 135 2HG GLU 135 145.580 1.432 4.555 426 2HG GLU 135 1HG GLU 135 145.518 3.186 4.389 427 H LEU 136 H LEU 136 141.169 2.751 2.423 428 HA LEU 136 HA LEU 136 139.185 1.334 3.768 429 1HB LEU 136 2HB LEU 136 139.321 3.219 1.539 430 2HB LEU 136 1HB LEU 136 137.975 2.101 1.411 431 HG LEU 136 HG LEU 136 137.331 2.778 3.761 432 1HD1 LEU 136 1HD1 LEU 136 139.769 3.893 3.908 433 2HD1 LEU 136 2HD1 LEU 136 138.401 4.407 4.896 434 3HD1 LEU 136 3HD1 LEU 136 138.819 5.300 3.434 435 1HD2 LEU 136 1HD2 LEU 136 137.222 5.245 2.146 436 2HD2 LEU 136 2HD2 LEU 136 135.924 4.331 2.916 437 3HD2 LEU 136 3HD2 LEU 136 136.599 3.783 1.382 438 H MET 137 H MET 137 140.480 0.830 0.497 439 HA MET 137 HA MET 137 138.817 -1.328 -0.188 440 1HB MET 137 2HB MET 137 140.869 0.116 -1.413 441 2HB MET 137 1HB MET 137 141.463 -1.538 -1.362 442 1HG MET 137 2HG MET 137 140.310 -1.859 -3.229 443 2HG MET 137 1HG MET 137 138.871 -1.846 -2.211 444 1HE MET 137 1HE MET 137 137.053 0.382 -4.578 445 2HE MET 137 2HE MET 137 136.872 -0.508 -3.065 446 3HE MET 137 3HE MET 137 137.593 -1.295 -4.470 447 H LYS 138 H LYS 138 141.917 -1.196 1.481 448 HA LYS 138 HA LYS 138 142.556 -3.907 1.472 449 1HB LYS 138 2HB LYS 138 143.933 -1.888 2.297 450 2HB LYS 138 1HB LYS 138 143.106 -2.123 3.831 451 1HG LYS 138 2HG LYS 138 144.457 -4.449 2.557 452 2HG LYS 138 1HG LYS 138 145.434 -3.224 3.368 453 1HD LYS 138 2HD LYS 138 143.523 -3.613 5.227 454 2HD LYS 138 1HD LYS 138 143.570 -5.216 4.491 455 1HE LYS 138 2HE LYS 138 145.837 -5.515 5.028 456 2HE LYS 138 1HE LYS 138 146.070 -3.799 5.359 457 1HZ LYS 138 1HZ LYS 138 144.586 -4.050 7.289 458 2HZ LYS 138 2HZ LYS 138 145.977 -5.005 7.413 459 3HZ LYS 138 3HZ LYS 138 144.499 -5.714 6.995 460 H ASP 139 H ASP 139 140.510 -2.063 3.699 461 HA ASP 139 HA ASP 139 139.842 -4.537 5.117 462 1HB ASP 139 2HB ASP 139 139.997 -1.728 5.852 463 2HB ASP 139 1HB ASP 139 138.470 -2.449 6.349 464 H GLY 140 H GLY 140 138.852 -3.745 2.381 465 1HA GLY 140 2HA GLY 140 135.987 -4.051 2.998 466 2HA GLY 140 1HA GLY 140 136.524 -2.915 1.769 467 H ASP 141 H ASP 141 138.601 -4.543 0.680 468 HA ASP 141 HA ASP 141 136.974 -6.257 -0.987 469 1HB ASP 141 2HB ASP 141 139.372 -4.780 -1.316 470 2HB ASP 141 1HB ASP 141 139.773 -6.475 -1.582 471 H LYS 142 H LYS 142 136.526 -8.245 -0.354 472 HA LYS 142 HA LYS 142 138.319 -9.671 1.433 473 1HB LYS 142 2HB LYS 142 135.507 -10.044 0.495 474 2HB LYS 142 1HB LYS 142 136.382 -11.439 1.114 475 1HG LYS 142 2HG LYS 142 134.980 -10.250 2.796 476 2HG LYS 142 1HG LYS 142 136.679 -10.417 3.238 477 1HD LYS 142 2HD LYS 142 137.032 -8.091 2.348 478 2HD LYS 142 1HD LYS 142 135.278 -7.958 2.198 479 1HE LYS 142 2HE LYS 142 136.370 -8.848 4.809 480 2HE LYS 142 1HE LYS 142 136.597 -7.157 4.368 481 1HZ LYS 142 1HZ LYS 142 134.584 -7.109 5.441 482 2HZ LYS 142 2HZ LYS 142 134.097 -8.623 4.863 483 3HZ LYS 142 3HZ LYS 142 134.080 -7.280 3.835 484 H ASN 143 H ASN 143 137.128 -9.873 -1.877 485 HA ASN 143 HA ASN 143 138.484 -12.374 -2.378 486 1HB ASN 143 2HB ASN 143 137.728 -11.966 -4.746 487 2HB ASN 143 1HB ASN 143 136.429 -12.032 -3.557 488 1HD2 ASN 143 1HD2 ASN 143 135.211 -10.911 -5.211 489 2HD2 ASN 143 2HD2 ASN 143 135.338 -9.194 -5.338 490 H ASN 144 H ASN 144 139.418 -9.161 -2.221 491 HA ASN 144 HA ASN 144 141.266 -8.010 -2.843 492 1HB ASN 144 2HB ASN 144 142.234 -10.179 -1.813 493 2HB ASN 144 1HB ASN 144 142.602 -10.628 -3.477 494 1HD2 ASN 144 1HD2 ASN 144 144.582 -10.174 -4.062 495 2HD2 ASN 144 2HD2 ASN 144 145.542 -8.855 -3.495 496 H ASP 145 H ASP 145 139.284 -8.882 -4.930 497 HA ASP 145 HA ASP 145 140.779 -9.329 -7.327 498 1HB ASP 145 2HB ASP 145 138.640 -9.025 -8.473 499 2HB ASP 145 1HB ASP 145 138.455 -10.095 -7.086 500 H GLY 146 H GLY 146 140.077 -6.565 -5.459 501 1HA GLY 146 2HA GLY 146 141.322 -4.546 -5.994 502 2HA GLY 146 1HA GLY 146 140.981 -4.855 -7.688 503 H ARG 147 H ARG 147 138.183 -5.602 -6.187 504 HA ARG 147 HA ARG 147 137.199 -2.865 -5.953 505 1HB ARG 147 2HB ARG 147 135.730 -4.847 -7.681 506 2HB ARG 147 1HB ARG 147 135.445 -3.120 -7.524 507 1HG ARG 147 2HG ARG 147 137.961 -3.062 -8.430 508 2HG ARG 147 1HG ARG 147 137.425 -4.579 -9.155 509 1HD ARG 147 2HD ARG 147 135.546 -2.321 -9.382 510 2HD ARG 147 1HD ARG 147 137.057 -2.144 -10.273 511 HE ARG 147 HE ARG 147 135.805 -4.687 -10.686 512 1HH1 ARG 147 1HH1 ARG 147 135.844 -1.349 -11.701 513 2HH1 ARG 147 2HH1 ARG 147 135.195 -1.688 -13.270 514 1HH2 ARG 147 1HH2 ARG 147 134.952 -5.135 -12.750 515 2HH2 ARG 147 2HH2 ARG 147 134.689 -3.837 -13.865 516 H ILE 148 H ILE 148 135.128 -2.712 -4.900 517 HA ILE 148 HA ILE 148 134.593 -5.046 -3.189 518 HB ILE 148 HB ILE 148 133.795 -2.196 -2.612 519 1HG1 ILE 148 2HG1 ILE 148 136.230 -3.682 -1.602 520 2HG1 ILE 148 1HG1 ILE 148 136.261 -2.397 -2.805 521 1HG2 ILE 148 1HG2 ILE 148 132.677 -4.230 -1.497 522 2HG2 ILE 148 2HG2 ILE 148 133.257 -2.919 -0.469 523 3HG2 ILE 148 3HG2 ILE 148 134.201 -4.398 -0.627 524 1HD1 ILE 148 1HD1 ILE 148 136.658 -2.029 -0.166 525 2HD1 ILE 148 2HD1 ILE 148 134.926 -1.712 -0.284 526 3HD1 ILE 148 3HD1 ILE 148 136.063 -0.783 -1.264 527 H ASP 149 H ASP 149 132.637 -5.972 -3.163 528 HA ASP 149 HA ASP 149 130.576 -4.826 -4.916 529 1HB ASP 149 2HB ASP 149 131.594 -7.275 -5.091 530 2HB ASP 149 1HB ASP 149 130.374 -7.612 -3.866 531 H TYR 150 H TYR 150 128.279 -5.715 -4.142 532 HA TYR 150 HA TYR 150 127.765 -4.356 -1.679 533 1HB TYR 150 2HB TYR 150 126.152 -4.261 -3.503 534 2HB TYR 150 1HB TYR 150 125.947 -6.008 -3.446 535 HD1 TYR 150 HD1 TYR 150 123.856 -6.562 -2.661 536 HD2 TYR 150 HD2 TYR 150 125.917 -3.316 -0.841 537 HE1 TYR 150 HE1 TYR 150 122.006 -6.294 -1.063 538 HE2 TYR 150 HE2 TYR 150 124.073 -3.040 0.765 539 HH TYR 150 HH TYR 150 121.346 -3.758 0.576 540 H ASP 151 H ASP 151 128.480 -7.606 -2.501 541 HA ASP 151 HA ASP 151 127.165 -8.865 -0.314 542 1HB ASP 151 2HB ASP 151 129.087 -9.655 -2.412 543 2HB ASP 151 1HB ASP 151 129.188 -10.580 -0.916 544 H GLU 152 H GLU 152 130.607 -8.127 -0.897 545 HA GLU 152 HA GLU 152 131.370 -8.756 1.766 546 1HB GLU 152 2HB GLU 152 133.554 -7.818 1.142 547 2HB GLU 152 1HB GLU 152 132.954 -8.955 -0.056 548 1HG GLU 152 2HG GLU 152 132.061 -6.871 -1.267 549 2HG GLU 152 1HG GLU 152 133.170 -5.983 -0.224 550 H PHE 153 H PHE 153 130.692 -5.689 0.098 551 HA PHE 153 HA PHE 153 131.570 -3.979 2.135 552 1HB PHE 153 2HB PHE 153 130.315 -3.659 -0.340 553 2HB PHE 153 1HB PHE 153 129.214 -2.922 0.814 554 HD1 PHE 153 HD1 PHE 153 131.004 -1.681 -1.441 555 HD2 PHE 153 HD2 PHE 153 131.380 -2.026 2.785 556 HE1 PHE 153 HE1 PHE 153 132.406 0.340 -1.404 557 HE2 PHE 153 HE2 PHE 153 132.783 -0.005 2.828 558 HZ PHE 153 HZ PHE 153 133.297 1.180 0.732 559 H LEU 154 H LEU 154 128.768 -5.979 1.950 560 HA LEU 154 HA LEU 154 127.042 -4.629 3.691 561 1HB LEU 154 2HB LEU 154 126.991 -7.004 2.299 562 2HB LEU 154 1HB LEU 154 127.013 -7.543 3.967 563 HG LEU 154 HG LEU 154 124.729 -7.334 3.049 564 1HD1 LEU 154 1HD1 LEU 154 123.840 -5.875 4.907 565 2HD1 LEU 154 2HD1 LEU 154 125.519 -5.544 5.331 566 3HD1 LEU 154 3HD1 LEU 154 124.903 -7.194 5.400 567 1HD2 LEU 154 1HD2 LEU 154 125.342 -5.335 1.608 568 2HD2 LEU 154 2HD2 LEU 154 125.160 -4.360 3.066 569 3HD2 LEU 154 3HD2 LEU 154 123.786 -5.268 2.436 570 H GLU 155 H GLU 155 129.862 -6.590 4.292 571 HA GLU 155 HA GLU 155 129.353 -6.784 7.135 572 1HB GLU 155 2HB GLU 155 131.468 -7.777 5.275 573 2HB GLU 155 1HB GLU 155 131.842 -7.668 6.988 574 1HG GLU 155 2HG GLU 155 129.287 -8.946 6.519 575 2HG GLU 155 1HG GLU 155 130.606 -9.771 5.690 576 H PHE 156 H PHE 156 131.326 -4.874 4.946 577 HA PHE 156 HA PHE 156 133.121 -3.708 6.690 578 1HB PHE 156 2HB PHE 156 132.549 -3.375 4.065 579 2HB PHE 156 1HB PHE 156 131.894 -1.876 4.712 580 HD1 PHE 156 HD1 PHE 156 134.058 -1.848 7.020 581 HD2 PHE 156 HD2 PHE 156 134.215 -2.178 2.780 582 HE1 PHE 156 HE1 PHE 156 136.315 -0.870 7.031 583 HE2 PHE 156 HE2 PHE 156 136.473 -1.203 2.784 584 HZ PHE 156 HZ PHE 156 137.525 -0.547 4.912 585 H MET 157 H MET 157 129.707 -3.205 6.410 586 HA MET 157 HA MET 157 129.717 -0.761 7.960 587 1HB MET 157 2HB MET 157 127.955 -1.858 6.148 588 2HB MET 157 1HB MET 157 127.148 -2.142 7.683 589 1HG MET 157 2HG MET 157 126.437 -0.047 6.685 590 2HG MET 157 1HG MET 157 127.277 0.225 8.210 591 1HE MET 157 1HE MET 157 129.463 -0.800 5.155 592 2HE MET 157 2HE MET 157 129.530 0.694 4.221 593 3HE MET 157 3HE MET 157 128.007 -0.181 4.375 594 H LYS 158 H LYS 158 127.875 -3.763 8.474 595 HA LYS 158 HA LYS 158 127.602 -3.393 11.242 596 1HB LYS 158 2HB LYS 158 126.450 -5.034 9.438 597 2HB LYS 158 1HB LYS 158 127.540 -6.171 10.218 598 1HG LYS 158 2HG LYS 158 125.962 -6.443 11.754 599 2HG LYS 158 1HG LYS 158 126.377 -4.829 12.334 600 1HD LYS 158 2HD LYS 158 124.336 -5.383 10.185 601 2HD LYS 158 1HD LYS 158 123.943 -5.168 11.891 602 1HE LYS 158 2HE LYS 158 124.601 -2.923 11.879 603 2HE LYS 158 1HE LYS 158 125.506 -3.105 10.376 604 1HZ LYS 158 1HZ LYS 158 123.094 -2.032 10.482 605 2HZ LYS 158 2HZ LYS 158 122.649 -3.647 10.247 606 3HZ LYS 158 3HZ LYS 158 123.657 -2.876 9.128 607 H GLY 159 H GLY 159 129.989 -2.832 11.493 608 1HA GLY 159 2HA GLY 159 131.516 -3.781 13.187 609 2HA GLY 159 1HA GLY 159 131.453 -5.282 12.273 610 H VAL 160 H VAL 160 132.742 -2.044 12.402 611 HA VAL 160 HA VAL 160 134.428 -2.586 10.062 612 HB VAL 160 HB VAL 160 134.321 0.042 11.519 613 1HG1 VAL 160 1HG1 VAL 160 135.194 -0.913 8.824 614 2HG1 VAL 160 2HG1 VAL 160 136.055 0.091 9.990 615 3HG1 VAL 160 3HG1 VAL 160 134.722 0.770 9.057 616 1HG2 VAL 160 1HG2 VAL 160 132.172 -1.210 10.033 617 2HG2 VAL 160 2HG2 VAL 160 132.679 0.311 9.294 618 3HG2 VAL 160 3HG2 VAL 160 132.170 0.276 10.983 619 H GLU 161 H GLU 161 135.114 -4.091 12.220 620 HA GLU 161 HA GLU 161 137.471 -2.736 13.347 621 1HB GLU 161 2HB GLU 161 135.873 -5.085 14.373 622 2HB GLU 161 1HB GLU 161 137.402 -4.569 15.071 623 1HG GLU 161 2HG GLU 161 136.505 -2.713 16.025 624 2HG GLU 161 1HG GLU 161 135.268 -2.535 14.784 Start of MODEL 19 1 1H MET 81 1HT MET 81 99.240 -19.983 5.628 2 2H MET 81 2HT MET 81 98.477 -19.150 4.336 3 3H MET 81 3HT MET 81 98.790 -20.833 4.209 4 HA MET 81 HA MET 81 96.568 -20.703 4.670 5 1HB MET 81 2HB MET 81 98.303 -21.976 6.304 6 2HB MET 81 1HB MET 81 97.472 -20.966 7.478 7 1HG MET 81 2HG MET 81 95.393 -21.994 6.040 8 2HG MET 81 1HG MET 81 96.546 -23.328 6.036 9 1HE MET 81 1HE MET 81 94.278 -21.506 9.523 10 2HE MET 81 2HE MET 81 93.462 -22.217 8.131 11 3HE MET 81 3HE MET 81 94.535 -20.835 7.911 12 H VAL 82 H VAL 82 98.387 -18.571 6.832 13 HA VAL 82 HA VAL 82 95.916 -17.151 7.518 14 HB VAL 82 HB VAL 82 98.670 -16.714 8.678 15 1HG1 VAL 82 1HG1 VAL 82 96.013 -16.042 9.911 16 2HG1 VAL 82 2HG1 VAL 82 96.871 -14.918 8.857 17 3HG1 VAL 82 3HG1 VAL 82 97.615 -15.459 10.362 18 1HG2 VAL 82 1HG2 VAL 82 96.461 -18.292 9.968 19 2HG2 VAL 82 2HG2 VAL 82 98.157 -18.182 10.442 20 3HG2 VAL 82 3HG2 VAL 82 97.704 -19.053 8.976 21 H ARG 83 H ARG 83 95.410 -15.294 6.567 22 HA ARG 83 HA ARG 83 97.556 -13.740 5.281 23 1HB ARG 83 2HB ARG 83 95.813 -13.065 3.583 24 2HB ARG 83 1HB ARG 83 96.345 -14.740 3.497 25 1HG ARG 83 2HG ARG 83 94.321 -15.552 4.045 26 2HG ARG 83 1HG ARG 83 93.986 -14.246 5.184 27 1HD ARG 83 2HD ARG 83 93.377 -12.763 3.417 28 2HD ARG 83 1HD ARG 83 93.946 -13.896 2.193 29 HE ARG 83 HE ARG 83 91.400 -13.897 3.480 30 1HH1 ARG 83 1HH1 ARG 83 93.812 -15.964 2.038 31 2HH1 ARG 83 2HH1 ARG 83 92.680 -17.208 1.626 32 1HH2 ARG 83 1HH2 ARG 83 89.909 -15.531 2.940 33 2HH2 ARG 83 2HH2 ARG 83 90.464 -16.962 2.136 34 H CYS 84 H CYS 84 97.808 -12.137 6.750 35 HA CYS 84 HA CYS 84 95.403 -10.644 7.561 36 1HB CYS 84 2HB CYS 84 97.962 -11.277 8.936 37 2HB CYS 84 1HB CYS 84 97.244 -9.703 9.260 38 HG CYS 84 HG CYS 84 96.202 -12.385 10.262 39 H MET 85 H MET 85 98.873 -10.032 6.983 40 HA MET 85 HA MET 85 98.193 -7.821 5.226 41 1HB MET 85 2HB MET 85 98.416 -7.089 7.746 42 2HB MET 85 1HB MET 85 100.138 -7.211 7.414 43 1HG MET 85 2HG MET 85 99.382 -4.940 7.115 44 2HG MET 85 1HG MET 85 99.894 -5.621 5.571 45 1HE MET 85 1HE MET 85 97.450 -4.381 7.850 46 2HE MET 85 2HE MET 85 95.867 -4.928 7.295 47 3HE MET 85 3HE MET 85 96.522 -3.394 6.721 48 H LYS 86 H LYS 86 99.223 -9.976 4.214 49 HA LYS 86 HA LYS 86 100.936 -10.837 2.989 50 1HB LYS 86 2HB LYS 86 101.625 -7.963 3.252 51 2HB LYS 86 1HB LYS 86 102.910 -9.035 2.710 52 1HG LYS 86 2HG LYS 86 100.391 -9.485 1.322 53 2HG LYS 86 1HG LYS 86 101.015 -7.848 1.120 54 1HD LYS 86 2HD LYS 86 103.148 -8.737 0.354 55 2HD LYS 86 1HD LYS 86 102.574 -10.384 0.616 56 1HE LYS 86 2HE LYS 86 102.386 -9.900 -1.717 57 2HE LYS 86 1HE LYS 86 100.760 -9.939 -1.036 58 1HZ LYS 86 1HZ LYS 86 101.006 -7.437 -0.834 59 2HZ LYS 86 2HZ LYS 86 100.812 -8.058 -2.396 60 3HZ LYS 86 3HZ LYS 86 102.344 -7.581 -1.860 61 H ASP 87 H ASP 87 103.574 -10.880 3.049 62 HA ASP 87 HA ASP 87 104.171 -12.226 5.484 63 1HB ASP 87 2HB ASP 87 105.265 -12.099 2.881 64 2HB ASP 87 1HB ASP 87 106.548 -11.610 3.983 65 H ASP 88 H ASP 88 106.793 -11.557 6.036 66 HA ASP 88 HA ASP 88 106.408 -9.127 7.554 67 1HB ASP 88 2HB ASP 88 108.607 -9.689 8.550 68 2HB ASP 88 1HB ASP 88 107.464 -11.023 8.650 69 H SER 89 H SER 89 106.758 -7.225 6.625 70 HA SER 89 HA SER 89 108.129 -6.762 4.254 71 1HB SER 89 2HB SER 89 108.129 -4.366 4.941 72 2HB SER 89 1HB SER 89 106.557 -5.139 5.139 73 HG SER 89 HG SER 89 108.473 -4.664 7.177 74 H LYS 90 H LYS 90 110.152 -5.798 3.799 75 HA LYS 90 HA LYS 90 112.311 -6.855 5.288 76 1HB LYS 90 2HB LYS 90 112.543 -4.611 3.292 77 2HB LYS 90 1HB LYS 90 113.729 -5.849 3.680 78 1HG LYS 90 2HG LYS 90 113.001 -6.948 1.897 79 2HG LYS 90 1HG LYS 90 111.529 -7.285 2.810 80 1HD LYS 90 2HD LYS 90 110.526 -5.224 1.927 81 2HD LYS 90 1HD LYS 90 111.995 -4.913 1.000 82 1HE LYS 90 2HE LYS 90 111.658 -6.916 -0.295 83 2HE LYS 90 1HE LYS 90 110.278 -7.373 0.704 84 1HZ LYS 90 1HZ LYS 90 110.156 -4.766 -0.591 85 2HZ LYS 90 2HZ LYS 90 108.929 -5.899 -0.322 86 3HZ LYS 90 3HZ LYS 90 110.017 -6.117 -1.599 87 H GLY 91 H GLY 91 114.254 -5.106 5.614 88 1HA GLY 91 2HA GLY 91 113.141 -3.091 7.470 89 2HA GLY 91 1HA GLY 91 114.619 -3.987 7.788 90 H LYS 92 H LYS 92 115.413 -1.717 8.094 91 HA LYS 92 HA LYS 92 116.221 -0.582 5.501 92 1HB LYS 92 2HB LYS 92 115.350 0.729 8.038 93 2HB LYS 92 1HB LYS 92 116.544 1.548 7.040 94 1HG LYS 92 2HG LYS 92 114.764 2.435 6.024 95 2HG LYS 92 1HG LYS 92 114.678 0.885 5.186 96 1HD LYS 92 2HD LYS 92 112.919 0.136 6.465 97 2HD LYS 92 1HD LYS 92 113.334 1.173 7.832 98 1HE LYS 92 2HE LYS 92 112.768 3.032 5.955 99 2HE LYS 92 1HE LYS 92 111.687 1.732 5.454 100 1HZ LYS 92 1HZ LYS 92 110.659 3.286 7.035 101 2HZ LYS 92 2HZ LYS 92 111.809 2.859 8.199 102 3HZ LYS 92 3HZ LYS 92 110.711 1.704 7.634 103 H THR 93 H THR 93 117.543 -2.644 7.032 104 HA THR 93 HA THR 93 120.039 -1.249 7.748 105 HB THR 93 HB THR 93 119.616 -4.049 8.631 106 HG1 THR 93 HG1 THR 93 117.603 -3.129 9.086 107 1HG2 THR 93 1HG2 THR 93 120.320 -2.449 10.780 108 2HG2 THR 93 2HG2 THR 93 121.207 -1.776 9.411 109 3HG2 THR 93 3HG2 THR 93 121.387 -3.481 9.828 110 H GLU 94 H GLU 94 119.047 -4.499 6.667 111 HA GLU 94 HA GLU 94 121.548 -4.866 5.279 112 1HB GLU 94 2HB GLU 94 120.162 -6.640 6.556 113 2HB GLU 94 1HB GLU 94 119.200 -6.727 5.085 114 1HG GLU 94 2HG GLU 94 122.004 -6.881 4.469 115 2HG GLU 94 1HG GLU 94 121.557 -8.100 5.661 116 H GLU 95 H GLU 95 118.302 -3.956 4.440 117 HA GLU 95 HA GLU 95 118.891 -4.299 1.588 118 1HB GLU 95 2HB GLU 95 116.437 -4.210 3.210 119 2HB GLU 95 1HB GLU 95 116.329 -3.347 1.683 120 1HG GLU 95 2HG GLU 95 115.638 -5.417 1.036 121 2HG GLU 95 1HG GLU 95 117.368 -5.553 0.723 122 H GLU 96 H GLU 96 119.538 -2.021 3.762 123 HA GLU 96 HA GLU 96 118.719 0.243 2.090 124 1HB GLU 96 2HB GLU 96 119.416 -0.086 4.961 125 2HB GLU 96 1HB GLU 96 119.800 1.456 4.206 126 1HG GLU 96 2HG GLU 96 117.074 0.237 3.997 127 2HG GLU 96 1HG GLU 96 117.551 1.226 5.375 128 H LEU 97 H LEU 97 121.498 -1.509 3.245 129 HA LEU 97 HA LEU 97 123.510 0.352 2.686 130 1HB LEU 97 2HB LEU 97 123.422 -2.633 2.844 131 2HB LEU 97 1HB LEU 97 124.879 -1.840 2.278 132 HG LEU 97 HG LEU 97 123.578 -1.300 4.948 133 1HD1 LEU 97 1HD1 LEU 97 125.987 -2.987 4.288 134 2HD1 LEU 97 2HD1 LEU 97 124.421 -3.587 4.832 135 3HD1 LEU 97 3HD1 LEU 97 125.406 -2.594 5.906 136 1HD2 LEU 97 1HD2 LEU 97 126.198 -0.439 3.732 137 2HD2 LEU 97 2HD2 LEU 97 125.781 -0.246 5.435 138 3HD2 LEU 97 3HD2 LEU 97 124.844 0.591 4.197 139 H SER 98 H SER 98 121.502 -1.468 0.570 140 HA SER 98 HA SER 98 123.239 -1.545 -1.680 141 1HB SER 98 2HB SER 98 120.882 -2.748 -1.099 142 2HB SER 98 1HB SER 98 120.318 -1.460 -2.164 143 HG SER 98 HG SER 98 121.032 -3.573 -3.117 144 H ASP 99 H ASP 99 120.512 0.572 -0.798 145 HA ASP 99 HA ASP 99 120.634 2.274 -3.006 146 1HB ASP 99 2HB ASP 99 119.492 2.411 -0.279 147 2HB ASP 99 1HB ASP 99 119.766 3.961 -1.070 148 H LEU 100 H LEU 100 122.407 2.309 0.033 149 HA LEU 100 HA LEU 100 123.716 4.810 -0.516 150 1HB LEU 100 2HB LEU 100 124.598 2.742 1.484 151 2HB LEU 100 1HB LEU 100 124.890 4.470 1.519 152 HG LEU 100 HG LEU 100 122.103 3.369 1.717 153 1HD1 LEU 100 1HD1 LEU 100 124.016 3.849 3.997 154 2HD1 LEU 100 2HD1 LEU 100 123.416 2.280 3.462 155 3HD1 LEU 100 3HD1 LEU 100 122.303 3.463 4.146 156 1HD2 LEU 100 1HD2 LEU 100 122.110 5.684 1.307 157 2HD2 LEU 100 2HD2 LEU 100 123.457 5.960 2.412 158 3HD2 LEU 100 3HD2 LEU 100 121.869 5.524 3.047 159 H PHE 101 H PHE 101 124.364 1.421 -1.033 160 HA PHE 101 HA PHE 101 127.123 1.507 -1.475 161 1HB PHE 101 2HB PHE 101 125.875 -0.593 -1.264 162 2HB PHE 101 1HB PHE 101 125.050 -0.270 -2.785 163 HD1 PHE 101 HD1 PHE 101 125.738 -1.846 -4.309 164 HD2 PHE 101 HD2 PHE 101 128.636 0.012 -1.809 165 HE1 PHE 101 HE1 PHE 101 127.530 -3.013 -5.526 166 HE2 PHE 101 HE2 PHE 101 130.434 -1.150 -3.022 167 HZ PHE 101 HZ PHE 101 129.882 -2.664 -4.883 168 H ARG 102 H ARG 102 124.410 2.156 -3.646 169 HA ARG 102 HA ARG 102 125.876 2.380 -6.032 170 1HB ARG 102 2HB ARG 102 123.236 3.470 -5.106 171 2HB ARG 102 1HB ARG 102 123.890 3.927 -6.671 172 1HG ARG 102 2HG ARG 102 123.984 1.553 -7.304 173 2HG ARG 102 1HG ARG 102 123.261 1.132 -5.748 174 1HD ARG 102 2HD ARG 102 121.217 2.096 -6.300 175 2HD ARG 102 1HD ARG 102 121.918 3.084 -7.580 176 HE ARG 102 HE ARG 102 121.684 1.324 -9.031 177 1HH1 ARG 102 1HH1 ARG 102 121.208 0.185 -5.767 178 2HH1 ARG 102 2HH1 ARG 102 120.644 -1.376 -6.261 179 1HH2 ARG 102 1HH2 ARG 102 120.944 -0.730 -9.683 180 2HH2 ARG 102 2HH2 ARG 102 120.494 -1.894 -8.483 181 H MET 103 H MET 103 125.014 4.771 -3.568 182 HA MET 103 HA MET 103 125.909 7.073 -4.834 183 1HB MET 103 2HB MET 103 125.784 6.286 -1.933 184 2HB MET 103 1HB MET 103 126.377 7.866 -2.428 185 1HG MET 103 2HG MET 103 124.014 7.639 -3.807 186 2HG MET 103 1HG MET 103 123.657 6.850 -2.273 187 1HE MET 103 1HE MET 103 122.394 10.448 -3.041 188 2HE MET 103 2HE MET 103 121.834 9.721 -1.534 189 3HE MET 103 3HE MET 103 121.990 8.733 -2.987 190 H PHE 104 H PHE 104 127.705 4.526 -3.272 191 HA PHE 104 HA PHE 104 130.184 5.978 -3.177 192 1HB PHE 104 2HB PHE 104 129.235 3.286 -2.435 193 2HB PHE 104 1HB PHE 104 130.914 3.361 -2.959 194 HD1 PHE 104 HD1 PHE 104 128.503 4.902 -0.591 195 HD2 PHE 104 HD2 PHE 104 132.573 4.042 -1.486 196 HE1 PHE 104 HE1 PHE 104 129.158 5.698 1.643 197 HE2 PHE 104 HE2 PHE 104 133.236 4.833 0.748 198 HZ PHE 104 HZ PHE 104 131.528 5.663 2.315 199 H ASP 105 H ASP 105 128.532 3.944 -5.458 200 HA ASP 105 HA ASP 105 130.893 3.561 -7.104 201 1HB ASP 105 2HB ASP 105 128.831 1.942 -6.749 202 2HB ASP 105 1HB ASP 105 128.137 2.897 -8.055 203 H LYS 106 H LYS 106 131.160 4.409 -9.190 204 HA LYS 106 HA LYS 106 129.523 6.795 -9.746 205 1HB LYS 106 2HB LYS 106 132.462 6.279 -10.084 206 2HB LYS 106 1HB LYS 106 131.652 7.512 -11.040 207 1HG LYS 106 2HG LYS 106 131.052 7.699 -8.197 208 2HG LYS 106 1HG LYS 106 132.769 7.865 -8.562 209 1HD LYS 106 2HD LYS 106 130.542 9.449 -9.842 210 2HD LYS 106 1HD LYS 106 131.613 10.032 -8.566 211 1HE LYS 106 2HE LYS 106 133.522 9.438 -10.176 212 2HE LYS 106 1HE LYS 106 132.273 9.361 -11.417 213 1HZ LYS 106 1HZ LYS 106 131.738 11.713 -10.245 214 2HZ LYS 106 2HZ LYS 106 132.703 11.534 -11.622 215 3HZ LYS 106 3HZ LYS 106 133.423 11.660 -10.097 216 H ASN 107 H ASN 107 131.389 4.172 -11.241 217 HA ASN 107 HA ASN 107 130.398 4.717 -13.872 218 1HB ASN 107 2HB ASN 107 131.697 2.160 -12.942 219 2HB ASN 107 1HB ASN 107 131.664 2.827 -14.572 220 1HD2 ASN 107 1HD2 ASN 107 133.069 4.458 -15.124 221 2HD2 ASN 107 2HD2 ASN 107 134.402 4.923 -14.127 222 H ALA 108 H ALA 108 128.864 3.439 -11.239 223 HA ALA 108 HA ALA 108 127.060 2.087 -10.907 224 1HB ALA 108 1HB ALA 108 126.399 2.935 -13.724 225 2HB ALA 108 2HB ALA 108 126.085 3.890 -12.274 226 3HB ALA 108 3HB ALA 108 125.265 2.345 -12.508 227 H ASP 109 H ASP 109 128.877 0.361 -11.122 228 HA ASP 109 HA ASP 109 128.040 -1.568 -13.189 229 1HB ASP 109 2HB ASP 109 130.349 -2.483 -13.106 230 2HB ASP 109 1HB ASP 109 130.292 -0.817 -13.674 231 H GLY 110 H GLY 110 128.805 -1.000 -9.841 232 1HA GLY 110 2HA GLY 110 127.531 -2.408 -8.262 233 2HA GLY 110 1HA GLY 110 128.004 -3.783 -9.249 234 H TYR 111 H TYR 111 130.615 -1.783 -9.195 235 HA TYR 111 HA TYR 111 131.673 -2.820 -6.666 236 1HB TYR 111 2HB TYR 111 133.224 -2.976 -9.254 237 2HB TYR 111 1HB TYR 111 133.684 -3.635 -7.688 238 HD1 TYR 111 HD1 TYR 111 132.529 -5.631 -6.797 239 HD2 TYR 111 HD2 TYR 111 131.737 -4.157 -10.709 240 HE1 TYR 111 HE1 TYR 111 131.476 -7.774 -7.385 241 HE2 TYR 111 HE2 TYR 111 130.682 -6.296 -11.307 242 HH TYR 111 HH TYR 111 131.063 -8.920 -10.163 243 H ILE 112 H ILE 112 133.357 -1.588 -5.766 244 HA ILE 112 HA ILE 112 133.623 1.098 -6.941 245 HB ILE 112 HB ILE 112 134.062 0.337 -4.054 246 1HG1 ILE 112 2HG1 ILE 112 131.674 1.846 -5.079 247 2HG1 ILE 112 1HG1 ILE 112 131.671 0.086 -5.047 248 1HG2 ILE 112 1HG2 ILE 112 134.500 2.516 -3.629 249 2HG2 ILE 112 2HG2 ILE 112 133.413 3.095 -4.892 250 3HG2 ILE 112 3HG2 ILE 112 135.017 2.494 -5.315 251 1HD1 ILE 112 1HD1 ILE 112 130.606 1.126 -3.078 252 2HD1 ILE 112 2HD1 ILE 112 132.166 1.827 -2.648 253 3HD1 ILE 112 3HD1 ILE 112 131.963 0.075 -2.671 254 H ASP 113 H ASP 113 135.565 1.810 -7.539 255 HA ASP 113 HA ASP 113 137.908 0.168 -6.852 256 1HB ASP 113 2HB ASP 113 137.036 0.752 -9.328 257 2HB ASP 113 1HB ASP 113 138.074 2.148 -9.057 258 H LEU 114 H LEU 114 140.007 1.648 -7.170 259 HA LEU 114 HA LEU 114 140.045 3.392 -4.966 260 1HB LEU 114 2HB LEU 114 141.932 2.125 -6.481 261 2HB LEU 114 1HB LEU 114 142.155 3.792 -6.970 262 HG LEU 114 HG LEU 114 143.673 3.254 -5.167 263 1HD1 LEU 114 1HD1 LEU 114 142.980 4.980 -3.520 264 2HD1 LEU 114 2HD1 LEU 114 141.414 5.062 -4.328 265 3HD1 LEU 114 3HD1 LEU 114 142.879 5.516 -5.197 266 1HD2 LEU 114 1HD2 LEU 114 142.903 1.579 -3.858 267 2HD2 LEU 114 2HD2 LEU 114 141.226 2.116 -3.963 268 3HD2 LEU 114 3HD2 LEU 114 142.346 2.925 -2.865 269 H GLU 115 H GLU 115 139.499 3.935 -8.372 270 HA GLU 115 HA GLU 115 139.864 6.774 -8.258 271 1HB GLU 115 2HB GLU 115 138.528 5.034 -10.335 272 2HB GLU 115 1HB GLU 115 138.879 6.746 -10.532 273 1HG GLU 115 2HG GLU 115 140.952 4.617 -10.057 274 2HG GLU 115 1HG GLU 115 140.515 5.264 -11.637 275 H GLU 116 H GLU 116 137.219 4.585 -7.718 276 HA GLU 116 HA GLU 116 135.198 6.645 -7.909 277 1HB GLU 116 2HB GLU 116 135.099 3.754 -7.048 278 2HB GLU 116 1HB GLU 116 133.693 4.809 -7.045 279 1HG GLU 116 2HG GLU 116 133.438 3.801 -9.068 280 2HG GLU 116 1HG GLU 116 134.386 5.211 -9.541 281 H LEU 117 H LEU 117 136.362 4.526 -5.289 282 HA LEU 117 HA LEU 117 135.013 5.645 -3.173 283 1HB LEU 117 2HB LEU 117 136.358 3.623 -2.982 284 2HB LEU 117 1HB LEU 117 137.827 4.555 -3.193 285 HG LEU 117 HG LEU 117 137.485 5.669 -1.068 286 1HD1 LEU 117 1HD1 LEU 117 135.636 5.165 0.384 287 2HD1 LEU 117 2HD1 LEU 117 134.994 3.999 -0.773 288 3HD1 LEU 117 3HD1 LEU 117 135.012 5.717 -1.171 289 1HD2 LEU 117 1HD2 LEU 117 138.494 3.314 -1.266 290 2HD2 LEU 117 2HD2 LEU 117 136.988 2.763 -0.535 291 3HD2 LEU 117 3HD2 LEU 117 138.029 3.890 0.333 292 H LYS 118 H LYS 118 137.728 6.947 -4.908 293 HA LYS 118 HA LYS 118 138.439 8.888 -2.920 294 1HB LYS 118 2HB LYS 118 139.916 9.807 -4.620 295 2HB LYS 118 1HB LYS 118 140.070 8.056 -4.564 296 1HG LYS 118 2HG LYS 118 139.286 7.787 -6.653 297 2HG LYS 118 1HG LYS 118 138.103 9.088 -6.492 298 1HD LYS 118 2HD LYS 118 140.079 10.686 -6.612 299 2HD LYS 118 1HD LYS 118 141.035 9.298 -7.133 300 1HE LYS 118 2HE LYS 118 139.113 8.994 -8.874 301 2HE LYS 118 1HE LYS 118 138.794 10.693 -8.532 302 1HZ LYS 118 1HZ LYS 118 140.417 10.025 -10.426 303 2HZ LYS 118 2HZ LYS 118 141.535 9.850 -9.168 304 3HZ LYS 118 3HZ LYS 118 140.784 11.343 -9.428 305 H ILE 119 H ILE 119 136.077 8.704 -5.418 306 HA ILE 119 HA ILE 119 135.745 11.457 -5.953 307 HB ILE 119 HB ILE 119 133.603 9.336 -6.102 308 1HG1 ILE 119 2HG1 ILE 119 135.649 8.638 -7.306 309 2HG1 ILE 119 1HG1 ILE 119 134.311 8.958 -8.404 310 1HG2 ILE 119 1HG2 ILE 119 133.771 12.142 -6.866 311 2HG2 ILE 119 2HG2 ILE 119 132.361 11.103 -6.672 312 3HG2 ILE 119 3HG2 ILE 119 133.262 11.092 -8.188 313 1HD1 ILE 119 1HD1 ILE 119 135.262 11.125 -8.947 314 2HD1 ILE 119 2HD1 ILE 119 136.411 9.824 -9.264 315 3HD1 ILE 119 3HD1 ILE 119 136.592 10.829 -7.826 316 H MET 120 H MET 120 133.759 9.284 -3.939 317 HA MET 120 HA MET 120 132.096 11.201 -2.834 318 1HB MET 120 2HB MET 120 131.824 8.727 -2.640 319 2HB MET 120 1HB MET 120 133.102 8.723 -1.432 320 1HG MET 120 2HG MET 120 131.450 10.586 -0.394 321 2HG MET 120 1HG MET 120 130.291 9.543 -1.215 322 1HE MET 120 1HE MET 120 133.281 9.711 1.163 323 2HE MET 120 2HE MET 120 133.730 8.172 0.427 324 3HE MET 120 3HE MET 120 133.188 8.223 2.105 325 H LEU 121 H LEU 121 135.417 10.536 -2.128 326 HA LEU 121 HA LEU 121 135.408 11.830 0.443 327 1HB LEU 121 2HB LEU 121 137.418 10.532 -1.302 328 2HB LEU 121 1HB LEU 121 138.018 11.762 -0.204 329 HG LEU 121 HG LEU 121 137.009 10.513 1.691 330 1HD1 LEU 121 1HD1 LEU 121 135.898 8.530 1.469 331 2HD1 LEU 121 2HD1 LEU 121 136.678 8.136 -0.063 332 3HD1 LEU 121 3HD1 LEU 121 135.386 9.335 -0.014 333 1HD2 LEU 121 1HD2 LEU 121 139.103 9.778 1.821 334 2HD2 LEU 121 2HD2 LEU 121 139.264 9.732 0.066 335 3HD2 LEU 121 3HD2 LEU 121 138.587 8.349 0.927 336 H GLN 122 H GLN 122 136.513 12.675 -2.828 337 HA GLN 122 HA GLN 122 137.492 15.239 -2.099 338 1HB GLN 122 2HB GLN 122 137.452 15.684 -4.554 339 2HB GLN 122 1HB GLN 122 138.310 14.215 -4.111 340 1HG GLN 122 2HG GLN 122 136.416 12.871 -4.772 341 2HG GLN 122 1HG GLN 122 135.484 14.323 -5.134 342 1HE2 GLN 122 1HE2 GLN 122 138.638 12.896 -5.933 343 2HE2 GLN 122 2HE2 GLN 122 138.574 13.278 -7.617 344 H ALA 123 H ALA 123 134.451 14.089 -3.476 345 HA ALA 123 HA ALA 123 133.234 16.576 -3.893 346 1HB ALA 123 1HB ALA 123 132.383 14.464 -4.815 347 2HB ALA 123 2HB ALA 123 131.133 15.360 -3.953 348 3HB ALA 123 3HB ALA 123 131.898 13.963 -3.197 349 H THR 124 H THR 124 133.624 14.645 -1.001 350 HA THR 124 HA THR 124 131.709 16.117 0.550 351 HB THR 124 HB THR 124 133.139 14.931 2.451 352 HG1 THR 124 HG1 THR 124 134.554 13.574 1.737 353 1HG2 THR 124 1HG2 THR 124 131.924 12.730 1.826 354 2HG2 THR 124 2HG2 THR 124 131.163 13.718 0.580 355 3HG2 THR 124 3HG2 THR 124 130.985 14.153 2.280 356 H GLY 125 H GLY 125 132.406 17.223 2.613 357 1HA GLY 125 2HA GLY 125 134.415 19.210 1.921 358 2HA GLY 125 1HA GLY 125 133.297 19.283 3.275 359 H GLU 126 H GLU 126 134.841 16.281 3.085 360 HA GLU 126 HA GLU 126 136.459 16.941 5.408 361 1HB GLU 126 2HB GLU 126 136.151 14.239 4.101 362 2HB GLU 126 1HB GLU 126 136.683 14.585 5.740 363 1HG GLU 126 2HG GLU 126 134.068 15.689 5.261 364 2HG GLU 126 1HG GLU 126 134.107 13.965 4.890 365 H THR 127 H THR 127 138.683 16.021 5.554 366 HA THR 127 HA THR 127 140.080 16.259 2.968 367 HB THR 127 HB THR 127 142.038 16.968 4.593 368 HG1 THR 127 HG1 THR 127 139.756 17.833 6.030 369 1HG2 THR 127 1HG2 THR 127 141.671 18.692 3.215 370 2HG2 THR 127 2HG2 THR 127 140.823 19.374 4.603 371 3HG2 THR 127 3HG2 THR 127 139.917 18.552 3.333 372 H ILE 128 H ILE 128 140.440 14.172 2.439 373 HA ILE 128 HA ILE 128 141.880 12.522 4.414 374 HB ILE 128 HB ILE 128 140.109 11.448 2.223 375 1HG1 ILE 128 2HG1 ILE 128 138.736 10.825 4.422 376 2HG1 ILE 128 1HG1 ILE 128 139.500 12.294 5.017 377 1HG2 ILE 128 1HG2 ILE 128 141.604 9.766 2.780 378 2HG2 ILE 128 2HG2 ILE 128 140.230 9.423 3.831 379 3HG2 ILE 128 3HG2 ILE 128 141.656 10.236 4.480 380 1HD1 ILE 128 1HD1 ILE 128 138.423 13.632 3.450 381 2HD1 ILE 128 2HD1 ILE 128 137.187 12.478 3.952 382 3HD1 ILE 128 3HD1 ILE 128 138.024 12.260 2.415 383 H THR 129 H THR 129 143.650 11.373 3.724 384 HA THR 129 HA THR 129 144.893 12.318 1.291 385 HB THR 129 HB THR 129 146.320 12.162 3.198 386 HG1 THR 129 HG1 THR 129 147.929 11.008 2.321 387 1HG2 THR 129 1HG2 THR 129 144.865 9.777 3.785 388 2HG2 THR 129 2HG2 THR 129 145.982 10.685 4.802 389 3HG2 THR 129 3HG2 THR 129 146.593 9.425 3.732 390 H GLU 130 H GLU 130 146.123 10.634 -0.047 391 HA GLU 130 HA GLU 130 144.208 8.878 -1.207 392 1HB GLU 130 2HB GLU 130 146.913 9.804 -1.806 393 2HB GLU 130 1HB GLU 130 146.659 8.121 -2.245 394 1HG GLU 130 2HG GLU 130 144.423 9.199 -3.264 395 2HG GLU 130 1HG GLU 130 145.514 10.579 -3.395 396 H ASP 131 H ASP 131 146.817 8.497 1.079 397 HA ASP 131 HA ASP 131 147.184 5.726 0.929 398 1HB ASP 131 2HB ASP 131 148.492 7.560 2.258 399 2HB ASP 131 1HB ASP 131 147.352 7.185 3.546 400 H ASP 132 H ASP 132 145.017 7.635 3.005 401 HA ASP 132 HA ASP 132 143.892 5.530 4.440 402 1HB ASP 132 2HB ASP 132 142.850 8.245 3.662 403 2HB ASP 132 1HB ASP 132 141.875 7.126 4.612 404 H ILE 133 H ILE 133 143.117 6.789 1.253 405 HA ILE 133 HA ILE 133 140.681 5.393 0.902 406 HB ILE 133 HB ILE 133 142.594 6.260 -1.267 407 1HG1 ILE 133 2HG1 ILE 133 140.349 7.809 0.047 408 2HG1 ILE 133 1HG1 ILE 133 142.069 8.126 0.252 409 1HG2 ILE 133 1HG2 ILE 133 139.760 5.351 -1.209 410 2HG2 ILE 133 2HG2 ILE 133 141.039 4.988 -2.367 411 3HG2 ILE 133 3HG2 ILE 133 140.241 6.560 -2.399 412 1HD1 ILE 133 1HD1 ILE 133 142.293 8.822 -2.002 413 2HD1 ILE 133 2HD1 ILE 133 140.878 9.641 -1.336 414 3HD1 ILE 133 3HD1 ILE 133 140.673 8.252 -2.404 415 H GLU 134 H GLU 134 144.036 4.612 0.077 416 HA GLU 134 HA GLU 134 143.506 2.227 -1.319 417 1HB GLU 134 2HB GLU 134 145.827 3.634 -0.305 418 2HB GLU 134 1HB GLU 134 146.001 1.899 -0.089 419 1HG GLU 134 2HG GLU 134 146.665 1.784 -2.193 420 2HG GLU 134 1HG GLU 134 145.020 2.197 -2.673 421 H GLU 135 H GLU 135 144.441 2.760 2.076 422 HA GLU 135 HA GLU 135 144.341 0.056 2.844 423 1HB GLU 135 2HB GLU 135 144.283 0.901 5.144 424 2HB GLU 135 1HB GLU 135 145.477 1.758 4.182 425 1HG GLU 135 2HG GLU 135 143.822 3.587 3.870 426 2HG GLU 135 1HG GLU 135 142.754 2.743 4.990 427 H LEU 136 H LEU 136 141.867 2.487 2.504 428 HA LEU 136 HA LEU 136 139.847 1.346 4.066 429 1HB LEU 136 2HB LEU 136 140.098 3.537 2.375 430 2HB LEU 136 1HB LEU 136 138.850 2.565 1.620 431 HG LEU 136 HG LEU 136 138.483 2.900 4.509 432 1HD1 LEU 136 1HD1 LEU 136 138.609 5.280 2.688 433 2HD1 LEU 136 2HD1 LEU 136 139.317 5.071 4.290 434 3HD1 LEU 136 3HD1 LEU 136 137.573 5.256 4.115 435 1HD2 LEU 136 1HD2 LEU 136 136.224 3.116 3.913 436 2HD2 LEU 136 2HD2 LEU 136 136.885 1.942 2.774 437 3HD2 LEU 136 3HD2 LEU 136 136.616 3.609 2.267 438 H MET 137 H MET 137 141.022 0.541 0.881 439 HA MET 137 HA MET 137 138.791 -1.186 0.268 440 1HB MET 137 2HB MET 137 141.454 -0.951 -1.140 441 2HB MET 137 1HB MET 137 139.998 -1.709 -1.772 442 1HG MET 137 2HG MET 137 140.414 1.213 -1.194 443 2HG MET 137 1HG MET 137 140.274 0.449 -2.776 444 1HE MET 137 1HE MET 137 138.456 -0.559 -3.729 445 2HE MET 137 2HE MET 137 137.630 0.974 -4.000 446 3HE MET 137 3HE MET 137 136.750 -0.392 -3.312 447 H LYS 138 H LYS 138 142.045 -1.497 1.525 448 HA LYS 138 HA LYS 138 142.340 -4.278 1.248 449 1HB LYS 138 2HB LYS 138 144.056 -2.428 1.935 450 2HB LYS 138 1HB LYS 138 143.513 -2.790 3.568 451 1HG LYS 138 2HG LYS 138 144.001 -5.282 2.638 452 2HG LYS 138 1HG LYS 138 145.207 -4.349 1.750 453 1HD LYS 138 2HD LYS 138 146.368 -3.801 3.629 454 2HD LYS 138 1HD LYS 138 144.925 -3.785 4.645 455 1HE LYS 138 2HE LYS 138 145.643 -6.418 3.560 456 2HE LYS 138 1HE LYS 138 146.825 -5.733 4.674 457 1HZ LYS 138 1HZ LYS 138 144.811 -5.313 6.168 458 2HZ LYS 138 2HZ LYS 138 145.379 -6.900 6.037 459 3HZ LYS 138 3HZ LYS 138 144.001 -6.422 5.182 460 H ASP 139 H ASP 139 140.509 -2.365 3.475 461 HA ASP 139 HA ASP 139 140.114 -4.639 5.267 462 1HB ASP 139 2HB ASP 139 140.136 -1.795 5.602 463 2HB ASP 139 1HB ASP 139 138.563 -2.412 6.103 464 H GLY 140 H GLY 140 138.787 -3.672 2.445 465 1HA GLY 140 2HA GLY 140 136.104 -4.613 3.250 466 2HA GLY 140 1HA GLY 140 136.344 -3.364 2.038 467 H ASP 141 H ASP 141 138.683 -4.764 0.890 468 HA ASP 141 HA ASP 141 137.221 -6.450 -0.926 469 1HB ASP 141 2HB ASP 141 139.800 -5.096 -0.879 470 2HB ASP 141 1HB ASP 141 139.923 -6.726 -1.535 471 H LYS 142 H LYS 142 136.598 -8.325 0.048 472 HA LYS 142 HA LYS 142 138.426 -9.866 1.657 473 1HB LYS 142 2HB LYS 142 135.731 -10.724 0.602 474 2HB LYS 142 1HB LYS 142 136.603 -11.393 1.973 475 1HG LYS 142 2HG LYS 142 135.653 -8.545 1.890 476 2HG LYS 142 1HG LYS 142 134.666 -9.871 2.508 477 1HD LYS 142 2HD LYS 142 137.159 -10.156 3.747 478 2HD LYS 142 1HD LYS 142 136.811 -8.426 3.786 479 1HE LYS 142 2HE LYS 142 134.409 -9.428 4.509 480 2HE LYS 142 1HE LYS 142 135.479 -10.666 5.164 481 1HZ LYS 142 1HZ LYS 142 136.750 -8.673 6.136 482 2HZ LYS 142 2HZ LYS 142 135.305 -9.147 6.879 483 3HZ LYS 142 3HZ LYS 142 135.326 -7.803 5.851 484 H ASN 143 H ASN 143 137.191 -9.939 -1.628 485 HA ASN 143 HA ASN 143 138.388 -12.509 -2.198 486 1HB ASN 143 2HB ASN 143 137.255 -10.562 -4.206 487 2HB ASN 143 1HB ASN 143 137.437 -12.305 -4.371 488 1HD2 ASN 143 1HD2 ASN 143 136.145 -13.644 -2.904 489 2HD2 ASN 143 2HD2 ASN 143 134.571 -13.093 -2.459 490 H ASN 144 H ASN 144 139.583 -9.433 -1.890 491 HA ASN 144 HA ASN 144 141.452 -8.349 -2.574 492 1HB ASN 144 2HB ASN 144 142.192 -11.229 -2.521 493 2HB ASN 144 1HB ASN 144 143.334 -10.116 -3.270 494 1HD2 ASN 144 1HD2 ASN 144 144.709 -9.103 -1.992 495 2HD2 ASN 144 2HD2 ASN 144 144.582 -8.968 -0.275 496 H ASP 145 H ASP 145 139.413 -8.982 -4.626 497 HA ASP 145 HA ASP 145 140.808 -9.544 -7.063 498 1HB ASP 145 2HB ASP 145 138.675 -8.912 -8.152 499 2HB ASP 145 1HB ASP 145 138.444 -10.087 -6.863 500 H GLY 146 H GLY 146 139.822 -6.667 -5.324 501 1HA GLY 146 2HA GLY 146 141.450 -4.777 -5.721 502 2HA GLY 146 1HA GLY 146 141.090 -5.017 -7.423 503 H ARG 147 H ARG 147 138.262 -5.595 -5.850 504 HA ARG 147 HA ARG 147 137.467 -2.798 -5.616 505 1HB ARG 147 2HB ARG 147 135.933 -4.737 -7.354 506 2HB ARG 147 1HB ARG 147 135.578 -3.034 -7.099 507 1HG ARG 147 2HG ARG 147 137.960 -2.670 -8.084 508 2HG ARG 147 1HG ARG 147 137.729 -4.296 -8.733 509 1HD ARG 147 2HD ARG 147 135.369 -3.170 -9.394 510 2HD ARG 147 1HD ARG 147 136.418 -1.754 -9.458 511 HE ARG 147 HE ARG 147 137.785 -3.617 -10.876 512 1HH1 ARG 147 1HH1 ARG 147 134.525 -2.377 -11.049 513 2HH1 ARG 147 2HH1 ARG 147 134.390 -2.621 -12.758 514 1HH2 ARG 147 1HH2 ARG 147 137.607 -3.939 -13.123 515 2HH2 ARG 147 2HH2 ARG 147 136.138 -3.509 -13.936 516 H ILE 148 H ILE 148 135.283 -2.567 -4.665 517 HA ILE 148 HA ILE 148 134.755 -4.783 -2.799 518 HB ILE 148 HB ILE 148 133.973 -1.883 -2.474 519 1HG1 ILE 148 2HG1 ILE 148 136.249 -3.409 -1.187 520 2HG1 ILE 148 1HG1 ILE 148 136.427 -2.188 -2.442 521 1HG2 ILE 148 1HG2 ILE 148 133.891 -4.228 -0.582 522 2HG2 ILE 148 2HG2 ILE 148 132.513 -3.358 -1.258 523 3HG2 ILE 148 3HG2 ILE 148 133.593 -2.553 -0.119 524 1HD1 ILE 148 1HD1 ILE 148 135.093 -1.561 0.162 525 2HD1 ILE 148 2HD1 ILE 148 135.818 -0.459 -1.008 526 3HD1 ILE 148 3HD1 ILE 148 136.845 -1.500 -0.023 527 H ASP 149 H ASP 149 132.918 -5.860 -2.958 528 HA ASP 149 HA ASP 149 130.798 -4.772 -4.675 529 1HB ASP 149 2HB ASP 149 129.976 -7.194 -4.640 530 2HB ASP 149 1HB ASP 149 131.475 -6.876 -5.507 531 H TYR 150 H TYR 150 128.550 -5.364 -4.058 532 HA TYR 150 HA TYR 150 127.905 -4.318 -1.543 533 1HB TYR 150 2HB TYR 150 126.376 -4.303 -3.486 534 2HB TYR 150 1HB TYR 150 126.180 -6.046 -3.334 535 HD1 TYR 150 HD1 TYR 150 124.052 -6.540 -2.596 536 HD2 TYR 150 HD2 TYR 150 126.100 -3.239 -0.856 537 HE1 TYR 150 HE1 TYR 150 122.167 -6.189 -1.053 538 HE2 TYR 150 HE2 TYR 150 124.220 -2.884 0.691 539 HH TYR 150 HH TYR 150 121.637 -3.457 0.610 540 H ASP 151 H ASP 151 128.777 -7.514 -2.465 541 HA ASP 151 HA ASP 151 127.480 -8.875 -0.315 542 1HB ASP 151 2HB ASP 151 129.527 -9.591 -2.372 543 2HB ASP 151 1HB ASP 151 129.342 -10.638 -0.968 544 H GLU 152 H GLU 152 130.929 -8.173 -0.927 545 HA GLU 152 HA GLU 152 131.698 -8.848 1.728 546 1HB GLU 152 2HB GLU 152 133.904 -8.038 1.099 547 2HB GLU 152 1HB GLU 152 133.236 -9.055 -0.169 548 1HG GLU 152 2HG GLU 152 132.450 -6.818 -1.202 549 2HG GLU 152 1HG GLU 152 133.663 -6.106 -0.138 550 H PHE 153 H PHE 153 130.766 -5.863 0.147 551 HA PHE 153 HA PHE 153 131.786 -4.104 2.130 552 1HB PHE 153 2HB PHE 153 130.785 -3.709 -0.331 553 2HB PHE 153 1HB PHE 153 129.357 -3.320 0.615 554 HD1 PHE 153 HD1 PHE 153 131.466 -1.662 -1.173 555 HD2 PHE 153 HD2 PHE 153 130.612 -2.031 2.978 556 HE1 PHE 153 HE1 PHE 153 132.362 0.597 -0.790 557 HE2 PHE 153 HE2 PHE 153 131.504 0.225 3.369 558 HZ PHE 153 HZ PHE 153 132.381 1.544 1.483 559 H LEU 154 H LEU 154 128.764 -5.849 1.742 560 HA LEU 154 HA LEU 154 127.125 -4.595 3.555 561 1HB LEU 154 2HB LEU 154 126.989 -6.895 2.103 562 2HB LEU 154 1HB LEU 154 127.092 -7.534 3.732 563 HG LEU 154 HG LEU 154 124.779 -7.349 3.142 564 1HD1 LEU 154 1HD1 LEU 154 125.684 -5.207 5.051 565 2HD1 LEU 154 2HD1 LEU 154 125.170 -6.851 5.428 566 3HD1 LEU 154 3HD1 LEU 154 123.997 -5.673 4.841 567 1HD2 LEU 154 1HD2 LEU 154 125.579 -4.626 2.219 568 2HD2 LEU 154 2HD2 LEU 154 123.922 -4.916 2.750 569 3HD2 LEU 154 3HD2 LEU 154 124.593 -5.844 1.409 570 H GLU 155 H GLU 155 129.737 -6.870 4.188 571 HA GLU 155 HA GLU 155 129.227 -7.027 7.004 572 1HB GLU 155 2HB GLU 155 131.229 -8.104 5.115 573 2HB GLU 155 1HB GLU 155 131.787 -7.882 6.767 574 1HG GLU 155 2HG GLU 155 129.284 -9.389 6.067 575 2HG GLU 155 1HG GLU 155 130.868 -10.150 6.209 576 H PHE 156 H PHE 156 131.110 -4.975 4.919 577 HA PHE 156 HA PHE 156 132.952 -3.943 6.745 578 1HB PHE 156 2HB PHE 156 132.428 -3.524 4.106 579 2HB PHE 156 1HB PHE 156 131.847 -2.015 4.800 580 HD1 PHE 156 HD1 PHE 156 133.933 -2.082 7.121 581 HD2 PHE 156 HD2 PHE 156 134.218 -2.484 2.894 582 HE1 PHE 156 HE1 PHE 156 136.240 -1.230 7.200 583 HE2 PHE 156 HE2 PHE 156 136.524 -1.632 2.967 584 HZ PHE 156 HZ PHE 156 137.539 -1.006 5.121 585 H MET 157 H MET 157 129.551 -3.344 6.376 586 HA MET 157 HA MET 157 129.725 -1.203 8.392 587 1HB MET 157 2HB MET 157 128.519 -1.098 5.930 588 2HB MET 157 1HB MET 157 127.166 -1.491 6.982 589 1HG MET 157 2HG MET 157 127.016 0.707 7.294 590 2HG MET 157 1HG MET 157 128.389 0.499 8.380 591 1HE MET 157 1HE MET 157 130.703 0.548 7.731 592 2HE MET 157 2HE MET 157 131.377 1.776 6.661 593 3HE MET 157 3HE MET 157 130.999 0.172 6.034 594 H LYS 158 H LYS 158 129.059 -4.413 8.151 595 HA LYS 158 HA LYS 158 126.866 -4.370 10.101 596 1HB LYS 158 2HB LYS 158 127.488 -6.071 7.929 597 2HB LYS 158 1HB LYS 158 127.702 -7.028 9.387 598 1HG LYS 158 2HG LYS 158 125.486 -7.390 8.851 599 2HG LYS 158 1HG LYS 158 125.389 -6.107 10.060 600 1HD LYS 158 2HD LYS 158 125.648 -4.716 7.697 601 2HD LYS 158 1HD LYS 158 124.634 -6.087 7.241 602 1HE LYS 158 2HE LYS 158 122.937 -4.855 8.023 603 2HE LYS 158 1HE LYS 158 123.525 -5.316 9.619 604 1HZ LYS 158 1HZ LYS 158 124.815 -3.009 8.419 605 2HZ LYS 158 2HZ LYS 158 124.319 -3.264 10.016 606 3HZ LYS 158 3HZ LYS 158 123.192 -2.796 8.845 607 H GLY 159 H GLY 159 129.423 -3.479 10.877 608 1HA GLY 159 2HA GLY 159 130.228 -3.910 13.164 609 2HA GLY 159 1HA GLY 159 130.238 -5.620 12.746 610 H VAL 160 H VAL 160 132.158 -2.943 13.088 611 HA VAL 160 HA VAL 160 134.177 -4.051 11.248 612 HB VAL 160 HB VAL 160 134.527 -1.241 12.083 613 1HG1 VAL 160 1HG1 VAL 160 134.816 -2.822 9.545 614 2HG1 VAL 160 2HG1 VAL 160 136.082 -2.111 10.545 615 3HG1 VAL 160 3HG1 VAL 160 135.018 -1.072 9.599 616 1HG2 VAL 160 1HG2 VAL 160 132.312 -2.016 10.182 617 2HG2 VAL 160 2HG2 VAL 160 132.929 -0.380 10.415 618 3HG2 VAL 160 3HG2 VAL 160 132.122 -1.215 11.742 619 H GLU 161 H GLU 161 134.116 -5.233 13.613 620 HA GLU 161 HA GLU 161 135.453 -4.067 15.761 621 1HB GLU 161 2HB GLU 161 136.092 -6.470 16.319 622 2HB GLU 161 1HB GLU 161 134.376 -6.127 16.157 623 1HG GLU 161 2HG GLU 161 135.375 -6.888 13.610 624 2HG GLU 161 1HG GLU 161 135.931 -8.063 14.801 Start of MODEL 20 1 1H MET 81 1HT MET 81 92.946 -14.139 2.624 2 2H MET 81 2HT MET 81 94.075 -13.133 1.811 3 3H MET 81 3HT MET 81 93.200 -14.325 0.939 4 HA MET 81 HA MET 81 92.426 -12.014 0.666 5 1HB MET 81 2HB MET 81 90.836 -14.388 1.499 6 2HB MET 81 1HB MET 81 89.976 -12.862 1.338 7 1HG MET 81 2HG MET 81 91.755 -13.582 -0.896 8 2HG MET 81 1HG MET 81 90.334 -14.601 -0.672 9 1HE MET 81 1HE MET 81 89.251 -12.270 -3.622 10 2HE MET 81 2HE MET 81 89.551 -13.926 -3.097 11 3HE MET 81 3HE MET 81 90.901 -12.816 -3.328 12 H VAL 82 H VAL 82 91.410 -13.472 3.763 13 HA VAL 82 HA VAL 82 90.948 -10.772 4.814 14 HB VAL 82 HB VAL 82 90.136 -13.392 6.074 15 1HG1 VAL 82 1HG1 VAL 82 90.000 -11.880 7.784 16 2HG1 VAL 82 2HG1 VAL 82 88.405 -11.665 7.062 17 3HG1 VAL 82 3HG1 VAL 82 89.697 -10.518 6.705 18 1HG2 VAL 82 1HG2 VAL 82 89.020 -13.265 3.960 19 2HG2 VAL 82 2HG2 VAL 82 88.591 -11.576 4.230 20 3HG2 VAL 82 3HG2 VAL 82 87.858 -12.840 5.217 21 H ARG 83 H ARG 83 91.787 -10.133 6.826 22 HA ARG 83 HA ARG 83 93.577 -9.787 8.208 23 1HB ARG 83 2HB ARG 83 93.935 -11.569 9.814 24 2HB ARG 83 1HB ARG 83 92.220 -11.425 9.453 25 1HG ARG 83 2HG ARG 83 92.308 -13.363 8.030 26 2HG ARG 83 1HG ARG 83 94.059 -13.467 8.223 27 1HD ARG 83 2HD ARG 83 92.442 -13.460 10.699 28 2HD ARG 83 1HD ARG 83 92.329 -14.898 9.687 29 HE ARG 83 HE ARG 83 95.031 -14.080 10.172 30 1HH1 ARG 83 1HH1 ARG 83 92.334 -15.868 11.475 31 2HH1 ARG 83 2HH1 ARG 83 93.326 -16.888 12.462 32 1HH2 ARG 83 1HH2 ARG 83 96.339 -15.421 11.467 33 2HH2 ARG 83 2HH2 ARG 83 95.600 -16.634 12.458 34 H CYS 84 H CYS 84 94.403 -10.254 5.556 35 HA CYS 84 HA CYS 84 97.141 -10.983 6.032 36 1HB CYS 84 2HB CYS 84 95.628 -13.118 5.428 37 2HB CYS 84 1HB CYS 84 95.973 -12.554 3.798 38 HG CYS 84 HG CYS 84 97.800 -14.274 4.594 39 H MET 85 H MET 85 95.599 -8.682 5.123 40 HA MET 85 HA MET 85 96.435 -8.423 2.327 41 1HB MET 85 2HB MET 85 94.092 -7.751 3.322 42 2HB MET 85 1HB MET 85 94.941 -6.287 3.796 43 1HG MET 85 2HG MET 85 94.381 -5.524 1.786 44 2HG MET 85 1HG MET 85 95.682 -6.549 1.186 45 1HE MET 85 1HE MET 85 95.215 -8.551 -0.583 46 2HE MET 85 2HE MET 85 93.910 -9.660 -0.160 47 3HE MET 85 3HE MET 85 95.126 -9.228 1.043 48 H LYS 86 H LYS 86 96.449 -6.324 5.216 49 HA LYS 86 HA LYS 86 98.703 -4.840 4.193 50 1HB LYS 86 2HB LYS 86 96.621 -4.251 5.908 51 2HB LYS 86 1HB LYS 86 97.995 -4.382 6.996 52 1HG LYS 86 2HG LYS 86 99.200 -2.710 5.737 53 2HG LYS 86 1HG LYS 86 97.896 -2.630 4.549 54 1HD LYS 86 2HD LYS 86 96.369 -1.946 6.427 55 2HD LYS 86 1HD LYS 86 97.802 -1.806 7.446 56 1HE LYS 86 2HE LYS 86 98.632 -0.326 5.399 57 2HE LYS 86 1HE LYS 86 96.895 -0.107 5.187 58 1HZ LYS 86 1HZ LYS 86 96.707 0.785 7.361 59 2HZ LYS 86 2HZ LYS 86 97.994 1.589 6.614 60 3HZ LYS 86 3HZ LYS 86 98.303 0.376 7.752 61 H ASP 87 H ASP 87 100.322 -6.448 4.092 62 HA ASP 87 HA ASP 87 101.233 -7.541 6.657 63 1HB ASP 87 2HB ASP 87 100.922 -8.808 4.289 64 2HB ASP 87 1HB ASP 87 102.609 -8.322 4.154 65 H ASP 88 H ASP 88 103.366 -7.294 7.364 66 HA ASP 88 HA ASP 88 104.512 -4.786 7.075 67 1HB ASP 88 2HB ASP 88 104.982 -7.019 8.646 68 2HB ASP 88 1HB ASP 88 106.475 -6.846 7.729 69 H SER 89 H SER 89 105.108 -3.991 5.150 70 HA SER 89 HA SER 89 106.345 -5.611 3.126 71 1HB SER 89 2HB SER 89 106.257 -3.681 1.745 72 2HB SER 89 1HB SER 89 104.800 -3.608 2.737 73 HG SER 89 HG SER 89 105.869 -1.598 2.678 74 H LYS 90 H LYS 90 108.234 -3.822 2.067 75 HA LYS 90 HA LYS 90 110.597 -4.621 3.154 76 1HB LYS 90 2HB LYS 90 110.213 -1.883 1.946 77 2HB LYS 90 1HB LYS 90 111.674 -2.860 1.940 78 1HG LYS 90 2HG LYS 90 111.064 -3.558 -0.074 79 2HG LYS 90 1HG LYS 90 109.791 -4.481 0.725 80 1HD LYS 90 2HD LYS 90 108.216 -2.703 0.414 81 2HD LYS 90 1HD LYS 90 109.480 -1.619 -0.169 82 1HE LYS 90 2HE LYS 90 109.074 -4.187 -1.607 83 2HE LYS 90 1HE LYS 90 107.862 -2.923 -1.821 84 1HZ LYS 90 1HZ LYS 90 110.650 -2.117 -2.073 85 2HZ LYS 90 2HZ LYS 90 109.296 -1.615 -2.951 86 3HZ LYS 90 3HZ LYS 90 110.034 -3.093 -3.311 87 H GLY 91 H GLY 91 111.980 -3.997 4.742 88 1HA GLY 91 2HA GLY 91 111.022 -1.850 6.536 89 2HA GLY 91 1HA GLY 91 111.798 -3.317 7.112 90 H LYS 92 H LYS 92 113.407 -2.176 8.202 91 HA LYS 92 HA LYS 92 115.328 -0.761 6.474 92 1HB LYS 92 2HB LYS 92 116.119 0.246 8.692 93 2HB LYS 92 1HB LYS 92 114.584 0.813 8.049 94 1HG LYS 92 2HG LYS 92 113.417 -0.753 9.569 95 2HG LYS 92 1HG LYS 92 114.980 -1.188 10.263 96 1HD LYS 92 2HD LYS 92 114.618 0.478 11.713 97 2HD LYS 92 1HD LYS 92 115.000 1.562 10.373 98 1HE LYS 92 2HE LYS 92 112.516 1.390 9.776 99 2HE LYS 92 1HE LYS 92 112.307 0.700 11.384 100 1HZ LYS 92 1HZ LYS 92 112.166 3.299 10.882 101 2HZ LYS 92 2HZ LYS 92 113.814 3.181 11.245 102 3HZ LYS 92 3HZ LYS 92 112.660 2.675 12.375 103 H THR 93 H THR 93 115.871 -3.168 6.093 104 HA THR 93 HA THR 93 117.801 -4.063 8.129 105 HB THR 93 HB THR 93 115.938 -5.629 7.720 106 HG1 THR 93 HG1 THR 93 117.316 -7.160 8.027 107 1HG2 THR 93 1HG2 THR 93 116.854 -6.608 5.162 108 2HG2 THR 93 2HG2 THR 93 116.206 -4.971 5.054 109 3HG2 THR 93 3HG2 THR 93 115.219 -6.269 5.727 110 H GLU 94 H GLU 94 119.090 -5.958 6.428 111 HA GLU 94 HA GLU 94 121.053 -4.293 5.241 112 1HB GLU 94 2HB GLU 94 120.566 -7.263 5.177 113 2HB GLU 94 1HB GLU 94 121.915 -6.517 4.331 114 1HG GLU 94 2HG GLU 94 122.967 -5.884 6.297 115 2HG GLU 94 1HG GLU 94 121.487 -6.012 7.245 116 H GLU 95 H GLU 95 118.057 -5.265 4.108 117 HA GLU 95 HA GLU 95 118.700 -5.576 1.332 118 1HB GLU 95 2HB GLU 95 116.159 -5.312 2.901 119 2HB GLU 95 1HB GLU 95 116.122 -5.153 1.151 120 1HG GLU 95 2HG GLU 95 117.119 -7.375 0.933 121 2HG GLU 95 1HG GLU 95 117.132 -7.534 2.688 122 H GLU 96 H GLU 96 117.794 -2.926 3.426 123 HA GLU 96 HA GLU 96 117.295 -1.089 1.269 124 1HB GLU 96 2HB GLU 96 117.010 0.582 2.986 125 2HB GLU 96 1HB GLU 96 116.184 -0.889 3.480 126 1HG GLU 96 2HG GLU 96 117.298 -0.873 5.385 127 2HG GLU 96 1HG GLU 96 118.816 -1.019 4.499 128 H LEU 97 H LEU 97 120.038 -2.118 3.107 129 HA LEU 97 HA LEU 97 121.704 0.123 2.783 130 1HB LEU 97 2HB LEU 97 122.101 -2.754 3.399 131 2HB LEU 97 1HB LEU 97 123.504 -1.849 2.865 132 HG LEU 97 HG LEU 97 121.781 -0.996 5.187 133 1HD1 LEU 97 1HD1 LEU 97 124.458 -2.179 5.625 134 2HD1 LEU 97 2HD1 LEU 97 123.137 -3.286 5.251 135 3HD1 LEU 97 3HD1 LEU 97 123.020 -2.212 6.645 136 1HD2 LEU 97 1HD2 LEU 97 124.529 -0.182 4.250 137 2HD2 LEU 97 2HD2 LEU 97 123.776 0.343 5.756 138 3HD2 LEU 97 3HD2 LEU 97 123.064 0.800 4.210 139 H SER 98 H SER 98 120.575 -2.152 0.501 140 HA SER 98 HA SER 98 122.723 -2.272 -1.292 141 1HB SER 98 2HB SER 98 120.926 -3.799 -1.612 142 2HB SER 98 1HB SER 98 119.740 -2.499 -1.696 143 HG SER 98 HG SER 98 121.829 -2.897 -3.577 144 H ASP 99 H ASP 99 120.049 0.035 -1.019 145 HA ASP 99 HA ASP 99 120.574 1.524 -3.325 146 1HB ASP 99 2HB ASP 99 118.524 1.681 -1.866 147 2HB ASP 99 1HB ASP 99 119.483 2.625 -0.730 148 H LEU 100 H LEU 100 121.852 1.825 -0.043 149 HA LEU 100 HA LEU 100 123.271 4.218 -0.403 150 1HB LEU 100 2HB LEU 100 123.637 1.881 1.454 151 2HB LEU 100 1HB LEU 100 124.707 3.269 1.500 152 HG LEU 100 HG LEU 100 122.798 3.224 3.177 153 1HD1 LEU 100 1HD1 LEU 100 122.206 5.721 2.453 154 2HD1 LEU 100 2HD1 LEU 100 123.609 5.456 1.419 155 3HD1 LEU 100 3HD1 LEU 100 123.754 5.274 3.167 156 1HD2 LEU 100 1HD2 LEU 100 121.207 3.943 0.720 157 2HD2 LEU 100 2HD2 LEU 100 120.631 4.026 2.384 158 3HD2 LEU 100 3HD2 LEU 100 121.040 2.466 1.669 159 H PHE 101 H PHE 101 123.947 0.969 -1.402 160 HA PHE 101 HA PHE 101 126.731 1.098 -1.687 161 1HB PHE 101 2HB PHE 101 125.407 -0.989 -1.848 162 2HB PHE 101 1HB PHE 101 124.765 -0.445 -3.393 163 HD1 PHE 101 HD1 PHE 101 125.578 -2.090 -4.839 164 HD2 PHE 101 HD2 PHE 101 128.252 -0.108 -2.190 165 HE1 PHE 101 HE1 PHE 101 127.486 -3.125 -5.997 166 HE2 PHE 101 HE2 PHE 101 130.165 -1.139 -3.341 167 HZ PHE 101 HZ PHE 101 129.784 -2.649 -5.248 168 H ARG 102 H ARG 102 124.130 1.948 -3.950 169 HA ARG 102 HA ARG 102 125.703 2.530 -6.174 170 1HB ARG 102 2HB ARG 102 123.009 3.426 -5.233 171 2HB ARG 102 1HB ARG 102 123.735 4.222 -6.623 172 1HG ARG 102 2HG ARG 102 124.087 1.668 -7.348 173 2HG ARG 102 1HG ARG 102 122.640 1.497 -6.353 174 1HD ARG 102 2HD ARG 102 121.748 3.503 -7.713 175 2HD ARG 102 1HD ARG 102 123.035 3.104 -8.851 176 HE ARG 102 HE ARG 102 121.847 1.257 -9.506 177 1HH1 ARG 102 1HH1 ARG 102 120.476 2.503 -6.548 178 2HH1 ARG 102 2HH1 ARG 102 119.092 1.465 -6.606 179 1HH2 ARG 102 1HH2 ARG 102 120.027 -0.108 -9.584 180 2HH2 ARG 102 2HH2 ARG 102 118.836 -0.018 -8.329 181 H MET 103 H MET 103 124.823 4.539 -3.409 182 HA MET 103 HA MET 103 125.742 7.002 -4.327 183 1HB MET 103 2HB MET 103 125.668 5.851 -1.537 184 2HB MET 103 1HB MET 103 126.080 7.526 -1.880 185 1HG MET 103 2HG MET 103 123.708 7.141 -3.239 186 2HG MET 103 1HG MET 103 123.490 6.236 -1.743 187 1HE MET 103 1HE MET 103 122.694 7.857 0.694 188 2HE MET 103 2HE MET 103 124.199 8.731 0.984 189 3HE MET 103 3HE MET 103 124.244 7.061 0.420 190 H PHE 104 H PHE 104 127.486 4.235 -3.125 191 HA PHE 104 HA PHE 104 129.973 5.648 -2.791 192 1HB PHE 104 2HB PHE 104 128.937 3.155 -1.984 193 2HB PHE 104 1HB PHE 104 130.307 2.795 -3.028 194 HD1 PHE 104 HD1 PHE 104 129.237 4.329 0.111 195 HD2 PHE 104 HD2 PHE 104 132.552 3.402 -2.390 196 HE1 PHE 104 HE1 PHE 104 130.771 4.799 1.977 197 HE2 PHE 104 HE2 PHE 104 134.092 3.869 -0.529 198 HZ PHE 104 HZ PHE 104 133.203 4.568 1.659 199 H ASP 105 H ASP 105 128.320 4.044 -5.361 200 HA ASP 105 HA ASP 105 130.741 3.806 -6.973 201 1HB ASP 105 2HB ASP 105 128.572 2.198 -6.824 202 2HB ASP 105 1HB ASP 105 128.097 3.221 -8.175 203 H LYS 106 H LYS 106 131.073 4.923 -8.899 204 HA LYS 106 HA LYS 106 129.415 7.335 -9.212 205 1HB LYS 106 2HB LYS 106 132.126 7.165 -8.771 206 2HB LYS 106 1HB LYS 106 132.039 7.359 -10.517 207 1HG LYS 106 2HG LYS 106 130.491 9.177 -8.722 208 2HG LYS 106 1HG LYS 106 132.212 9.450 -9.008 209 1HD LYS 106 2HD LYS 106 130.181 9.149 -11.214 210 2HD LYS 106 1HD LYS 106 130.659 10.706 -10.534 211 1HE LYS 106 2HE LYS 106 133.077 9.558 -11.072 212 2HE LYS 106 1HE LYS 106 132.081 8.938 -12.388 213 1HZ LYS 106 1HZ LYS 106 133.239 11.105 -12.818 214 2HZ LYS 106 2HZ LYS 106 132.201 11.815 -11.687 215 3HZ LYS 106 3HZ LYS 106 131.569 11.114 -13.091 216 H ASN 107 H ASN 107 131.123 4.785 -10.970 217 HA ASN 107 HA ASN 107 129.934 5.646 -13.485 218 1HB ASN 107 2HB ASN 107 131.291 3.775 -14.453 219 2HB ASN 107 1HB ASN 107 132.243 4.996 -13.612 220 1HD2 ASN 107 1HD2 ASN 107 133.198 2.454 -14.138 221 2HD2 ASN 107 2HD2 ASN 107 133.402 1.610 -12.645 222 H ALA 108 H ALA 108 128.763 3.974 -10.974 223 HA ALA 108 HA ALA 108 127.238 2.305 -10.656 224 1HB ALA 108 1HB ALA 108 125.455 2.305 -12.544 225 2HB ALA 108 2HB ALA 108 126.363 3.686 -13.156 226 3HB ALA 108 3HB ALA 108 125.659 3.741 -11.540 227 H ASP 109 H ASP 109 129.166 0.817 -11.044 228 HA ASP 109 HA ASP 109 128.584 -0.942 -13.336 229 1HB ASP 109 2HB ASP 109 130.956 -1.605 -13.307 230 2HB ASP 109 1HB ASP 109 130.764 0.123 -13.591 231 H GLY 110 H GLY 110 128.453 -0.693 -10.004 232 1HA GLY 110 2HA GLY 110 127.565 -2.397 -8.629 233 2HA GLY 110 1HA GLY 110 128.152 -3.594 -9.775 234 H TYR 111 H TYR 111 130.757 -1.840 -9.653 235 HA TYR 111 HA TYR 111 131.755 -2.862 -7.088 236 1HB TYR 111 2HB TYR 111 133.128 -3.180 -9.766 237 2HB TYR 111 1HB TYR 111 133.836 -3.595 -8.210 238 HD1 TYR 111 HD1 TYR 111 133.588 -5.751 -7.376 239 HD2 TYR 111 HD2 TYR 111 130.900 -4.373 -10.373 240 HE1 TYR 111 HE1 TYR 111 132.617 -8.004 -7.531 241 HE2 TYR 111 HE2 TYR 111 129.920 -6.623 -10.535 242 HH TYR 111 HH TYR 111 129.837 -8.736 -8.642 243 H ILE 112 H ILE 112 133.352 -1.636 -6.115 244 HA ILE 112 HA ILE 112 133.822 0.994 -7.356 245 HB ILE 112 HB ILE 112 134.049 0.286 -4.430 246 1HG1 ILE 112 2HG1 ILE 112 131.865 2.035 -5.420 247 2HG1 ILE 112 1HG1 ILE 112 131.707 0.316 -5.763 248 1HG2 ILE 112 1HG2 ILE 112 135.324 2.171 -4.625 249 2HG2 ILE 112 2HG2 ILE 112 133.736 2.905 -4.406 250 3HG2 ILE 112 3HG2 ILE 112 134.428 2.768 -6.022 251 1HD1 ILE 112 1HD1 ILE 112 132.001 -0.133 -3.344 252 2HD1 ILE 112 2HD1 ILE 112 130.563 0.812 -3.728 253 3HD1 ILE 112 3HD1 ILE 112 131.989 1.607 -3.064 254 H ASP 113 H ASP 113 135.843 1.719 -7.702 255 HA ASP 113 HA ASP 113 138.060 -0.055 -6.919 256 1HB ASP 113 2HB ASP 113 137.382 0.572 -9.446 257 2HB ASP 113 1HB ASP 113 138.452 1.926 -9.096 258 H LEU 114 H LEU 114 140.234 1.371 -7.126 259 HA LEU 114 HA LEU 114 140.223 3.061 -4.887 260 1HB LEU 114 2HB LEU 114 142.146 1.969 -6.688 261 2HB LEU 114 1HB LEU 114 142.467 3.685 -6.521 262 HG LEU 114 HG LEU 114 143.787 2.522 -4.904 263 1HD1 LEU 114 1HD1 LEU 114 142.228 4.605 -4.291 264 2HD1 LEU 114 2HD1 LEU 114 143.342 3.866 -3.141 265 3HD1 LEU 114 3HD1 LEU 114 141.630 3.442 -3.106 266 1HD2 LEU 114 1HD2 LEU 114 142.740 0.431 -4.684 267 2HD2 LEU 114 2HD2 LEU 114 141.207 1.155 -4.200 268 3HD2 LEU 114 3HD2 LEU 114 142.583 1.187 -3.099 269 H GLU 115 H GLU 115 139.793 3.714 -8.290 270 HA GLU 115 HA GLU 115 140.305 6.487 -8.240 271 1HB GLU 115 2HB GLU 115 138.904 4.615 -10.084 272 2HB GLU 115 1HB GLU 115 138.603 6.338 -10.279 273 1HG GLU 115 2HG GLU 115 140.357 5.803 -11.750 274 2HG GLU 115 1HG GLU 115 141.099 6.644 -10.390 275 H GLU 116 H GLU 116 137.229 4.690 -8.077 276 HA GLU 116 HA GLU 116 135.526 6.873 -7.819 277 1HB GLU 116 2HB GLU 116 135.381 3.988 -7.273 278 2HB GLU 116 1HB GLU 116 134.285 4.961 -6.301 279 1HG GLU 116 2HG GLU 116 132.909 4.700 -8.046 280 2HG GLU 116 1HG GLU 116 133.842 6.031 -8.731 281 H LEU 117 H LEU 117 137.096 4.953 -5.279 282 HA LEU 117 HA LEU 117 136.030 6.206 -3.051 283 1HB LEU 117 2HB LEU 117 138.856 5.190 -3.346 284 2HB LEU 117 1HB LEU 117 138.000 5.442 -1.836 285 HG LEU 117 HG LEU 117 137.105 3.474 -3.937 286 1HD1 LEU 117 1HD1 LEU 117 138.085 1.738 -2.531 287 2HD1 LEU 117 2HD1 LEU 117 138.743 2.972 -1.455 288 3HD1 LEU 117 3HD1 LEU 117 139.321 2.854 -3.118 289 1HD2 LEU 117 1HD2 LEU 117 135.310 4.101 -2.506 290 2HD2 LEU 117 2HD2 LEU 117 136.327 3.972 -1.072 291 3HD2 LEU 117 3HD2 LEU 117 135.880 2.521 -1.967 292 H LYS 118 H LYS 118 138.499 7.310 -5.244 293 HA LYS 118 HA LYS 118 139.416 9.447 -3.553 294 1HB LYS 118 2HB LYS 118 140.693 8.247 -5.461 295 2HB LYS 118 1HB LYS 118 139.812 9.329 -6.530 296 1HG LYS 118 2HG LYS 118 140.821 11.021 -4.602 297 2HG LYS 118 1HG LYS 118 142.114 9.844 -4.840 298 1HD LYS 118 2HD LYS 118 142.543 10.549 -6.945 299 2HD LYS 118 1HD LYS 118 140.843 10.863 -7.298 300 1HE LYS 118 2HE LYS 118 140.906 12.965 -6.238 301 2HE LYS 118 1HE LYS 118 142.443 12.610 -5.449 302 1HZ LYS 118 1HZ LYS 118 143.613 12.924 -7.403 303 2HZ LYS 118 2HZ LYS 118 142.431 14.129 -7.496 304 3HZ LYS 118 3HZ LYS 118 142.256 12.705 -8.390 305 H ILE 119 H ILE 119 136.844 8.986 -5.804 306 HA ILE 119 HA ILE 119 136.439 11.820 -6.271 307 HB ILE 119 HB ILE 119 134.608 9.538 -7.009 308 1HG1 ILE 119 2HG1 ILE 119 136.671 10.865 -8.773 309 2HG1 ILE 119 1HG1 ILE 119 136.959 9.349 -7.926 310 1HG2 ILE 119 1HG2 ILE 119 133.511 11.685 -7.066 311 2HG2 ILE 119 2HG2 ILE 119 133.793 11.128 -8.718 312 3HG2 ILE 119 3HG2 ILE 119 134.830 12.370 -8.016 313 1HD1 ILE 119 1HD1 ILE 119 134.527 9.486 -9.586 314 2HD1 ILE 119 2HD1 ILE 119 135.663 8.160 -9.337 315 3HD1 ILE 119 3HD1 ILE 119 136.073 9.479 -10.435 316 H MET 120 H MET 120 134.477 9.197 -4.846 317 HA MET 120 HA MET 120 132.445 10.743 -3.791 318 1HB MET 120 2HB MET 120 132.394 8.291 -3.863 319 2HB MET 120 1HB MET 120 133.636 8.224 -2.619 320 1HG MET 120 2HG MET 120 131.926 9.623 -1.237 321 2HG MET 120 1HG MET 120 130.762 8.975 -2.392 322 1HE MET 120 1HE MET 120 133.310 6.772 0.644 323 2HE MET 120 2HE MET 120 133.762 8.157 -0.350 324 3HE MET 120 3HE MET 120 133.902 6.523 -0.999 325 H LEU 121 H LEU 121 135.693 10.298 -2.630 326 HA LEU 121 HA LEU 121 135.145 11.431 -0.028 327 1HB LEU 121 2HB LEU 121 137.657 10.563 -1.433 328 2HB LEU 121 1HB LEU 121 137.700 11.388 0.113 329 HG LEU 121 HG LEU 121 136.185 8.820 -0.329 330 1HD1 LEU 121 1HD1 LEU 121 138.011 7.570 0.096 331 2HD1 LEU 121 2HD1 LEU 121 138.725 8.781 1.161 332 3HD1 LEU 121 3HD1 LEU 121 138.857 8.958 -0.588 333 1HD2 LEU 121 1HD2 LEU 121 136.815 8.874 2.269 334 2HD2 LEU 121 2HD2 LEU 121 135.335 9.584 1.625 335 3HD2 LEU 121 3HD2 LEU 121 136.730 10.609 1.961 336 H GLN 122 H GLN 122 136.230 12.526 -3.146 337 HA GLN 122 HA GLN 122 137.407 14.966 -2.312 338 1HB GLN 122 2HB GLN 122 136.637 13.703 -4.847 339 2HB GLN 122 1HB GLN 122 136.520 15.457 -4.865 340 1HG GLN 122 2HG GLN 122 138.987 14.567 -3.652 341 2HG GLN 122 1HG GLN 122 138.792 13.932 -5.286 342 1HE2 GLN 122 1HE2 GLN 122 140.760 15.787 -4.488 343 2HE2 GLN 122 2HE2 GLN 122 140.475 17.265 -5.336 344 H ALA 123 H ALA 123 134.128 13.957 -2.871 345 HA ALA 123 HA ALA 123 133.074 16.638 -3.017 346 1HB ALA 123 1HB ALA 123 132.108 14.529 -4.116 347 2HB ALA 123 2HB ALA 123 130.987 15.665 -3.366 348 3HB ALA 123 3HB ALA 123 131.432 14.180 -2.525 349 H THR 124 H THR 124 134.162 14.713 -0.498 350 HA THR 124 HA THR 124 132.201 15.386 1.473 351 HB THR 124 HB THR 124 133.695 14.371 3.062 352 HG1 THR 124 HG1 THR 124 135.642 15.300 2.388 353 1HG2 THR 124 1HG2 THR 124 132.605 12.735 1.690 354 2HG2 THR 124 2HG2 THR 124 134.262 12.218 2.003 355 3HG2 THR 124 3HG2 THR 124 133.833 12.909 0.438 356 H GLY 125 H GLY 125 133.504 16.282 3.650 357 1HA GLY 125 2HA GLY 125 134.420 18.959 2.805 358 2HA GLY 125 1HA GLY 125 133.507 18.647 4.273 359 H GLU 126 H GLU 126 135.528 16.124 4.186 360 HA GLU 126 HA GLU 126 137.482 17.494 5.887 361 1HB GLU 126 2HB GLU 126 137.040 14.519 5.606 362 2HB GLU 126 1HB GLU 126 137.958 15.346 6.856 363 1HG GLU 126 2HG GLU 126 135.611 16.515 7.264 364 2HG GLU 126 1HG GLU 126 135.035 15.009 6.553 365 H THR 127 H THR 127 139.691 16.178 5.859 366 HA THR 127 HA THR 127 140.548 16.130 3.041 367 HB THR 127 HB THR 127 142.876 16.440 4.203 368 HG1 THR 127 HG1 THR 127 141.149 17.529 6.167 369 1HG2 THR 127 1HG2 THR 127 142.492 18.294 3.006 370 2HG2 THR 127 2HG2 THR 127 142.124 18.996 4.582 371 3HG2 THR 127 3HG2 THR 127 140.817 18.424 3.543 372 H ILE 128 H ILE 128 141.275 14.286 2.208 373 HA ILE 128 HA ILE 128 142.238 12.183 4.024 374 HB ILE 128 HB ILE 128 140.470 11.627 1.643 375 1HG1 ILE 128 2HG1 ILE 128 138.969 10.883 3.763 376 2HG1 ILE 128 1HG1 ILE 128 139.813 12.261 4.463 377 1HG2 ILE 128 1HG2 ILE 128 141.725 9.717 2.020 378 2HG2 ILE 128 2HG2 ILE 128 140.267 9.413 2.964 379 3HG2 ILE 128 3HG2 ILE 128 141.741 9.949 3.768 380 1HD1 ILE 128 1HD1 ILE 128 138.143 12.287 1.960 381 2HD1 ILE 128 2HD1 ILE 128 139.011 13.669 2.628 382 3HD1 ILE 128 3HD1 ILE 128 137.687 12.938 3.534 383 H THR 129 H THR 129 144.126 11.327 3.423 384 HA THR 129 HA THR 129 145.385 12.223 0.996 385 HB THR 129 HB THR 129 146.698 12.044 3.041 386 HG1 THR 129 HG1 THR 129 148.081 11.722 1.459 387 1HG2 THR 129 1HG2 THR 129 145.386 9.592 3.403 388 2HG2 THR 129 2HG2 THR 129 146.597 10.344 4.442 389 3HG2 THR 129 3HG2 THR 129 147.094 9.224 3.174 390 H GLU 130 H GLU 130 146.757 10.415 -0.172 391 HA GLU 130 HA GLU 130 144.863 8.740 -1.483 392 1HB GLU 130 2HB GLU 130 147.423 9.747 -2.043 393 2HB GLU 130 1HB GLU 130 147.602 7.998 -2.031 394 1HG GLU 130 2HG GLU 130 145.668 7.875 -3.610 395 2HG GLU 130 1HG GLU 130 145.736 9.633 -3.726 396 H ASP 131 H ASP 131 147.244 8.264 1.027 397 HA ASP 131 HA ASP 131 147.378 5.450 0.937 398 1HB ASP 131 2HB ASP 131 147.823 7.364 3.237 399 2HB ASP 131 1HB ASP 131 148.222 5.649 3.280 400 H ASP 132 H ASP 132 145.417 7.637 2.948 401 HA ASP 132 HA ASP 132 144.066 5.752 4.454 402 1HB ASP 132 2HB ASP 132 143.710 8.553 3.761 403 2HB ASP 132 1HB ASP 132 142.166 7.731 3.962 404 H ILE 133 H ILE 133 143.471 6.803 1.159 405 HA ILE 133 HA ILE 133 140.943 5.510 0.892 406 HB ILE 133 HB ILE 133 142.840 6.282 -1.325 407 1HG1 ILE 133 2HG1 ILE 133 140.591 7.957 -0.204 408 2HG1 ILE 133 1HG1 ILE 133 142.262 8.134 0.321 409 1HG2 ILE 133 1HG2 ILE 133 140.865 4.756 -1.799 410 2HG2 ILE 133 2HG2 ILE 133 140.981 6.228 -2.763 411 3HG2 ILE 133 3HG2 ILE 133 139.841 6.142 -1.420 412 1HD1 ILE 133 1HD1 ILE 133 142.918 8.686 -1.964 413 2HD1 ILE 133 2HD1 ILE 133 141.689 9.792 -1.349 414 3HD1 ILE 133 3HD1 ILE 133 141.240 8.518 -2.483 415 H GLU 134 H GLU 134 144.275 4.622 0.121 416 HA GLU 134 HA GLU 134 143.693 2.235 -1.257 417 1HB GLU 134 2HB GLU 134 146.038 3.607 -0.274 418 2HB GLU 134 1HB GLU 134 146.170 1.877 0.015 419 1HG GLU 134 2HG GLU 134 145.615 1.521 -2.396 420 2HG GLU 134 1HG GLU 134 145.741 3.266 -2.615 421 H GLU 135 H GLU 135 144.435 2.868 2.154 422 HA GLU 135 HA GLU 135 144.303 0.144 2.951 423 1HB GLU 135 2HB GLU 135 144.261 1.034 5.244 424 2HB GLU 135 1HB GLU 135 145.519 1.789 4.273 425 1HG GLU 135 2HG GLU 135 144.552 3.824 4.350 426 2HG GLU 135 1HG GLU 135 142.915 3.170 4.336 427 H LEU 136 H LEU 136 141.940 2.680 2.577 428 HA LEU 136 HA LEU 136 139.873 1.600 4.143 429 1HB LEU 136 2HB LEU 136 140.225 3.812 2.451 430 2HB LEU 136 1HB LEU 136 138.863 2.931 1.787 431 HG LEU 136 HG LEU 136 138.102 2.953 4.347 432 1HD1 LEU 136 1HD1 LEU 136 140.348 4.396 4.624 433 2HD1 LEU 136 2HD1 LEU 136 138.922 4.610 5.640 434 3HD1 LEU 136 3HD1 LEU 136 139.201 5.688 4.273 435 1HD2 LEU 136 1HD2 LEU 136 137.692 5.469 2.793 436 2HD2 LEU 136 2HD2 LEU 136 136.535 4.528 3.734 437 3HD2 LEU 136 3HD2 LEU 136 137.079 3.939 2.163 438 H MET 137 H MET 137 140.658 1.184 0.708 439 HA MET 137 HA MET 137 138.475 -0.413 0.005 440 1HB MET 137 2HB MET 137 140.100 0.643 -1.579 441 2HB MET 137 1HB MET 137 141.268 -0.594 -1.135 442 1HG MET 137 2HG MET 137 140.403 -2.009 -2.593 443 2HG MET 137 1HG MET 137 138.802 -1.836 -1.877 444 1HE MET 137 1HE MET 137 136.948 -1.448 -4.011 445 2HE MET 137 2HE MET 137 136.835 0.310 -4.070 446 3HE MET 137 3HE MET 137 137.055 -0.507 -2.524 447 H LYS 138 H LYS 138 141.522 -1.222 1.544 448 HA LYS 138 HA LYS 138 141.282 -4.041 1.276 449 1HB LYS 138 2HB LYS 138 143.213 -2.251 2.230 450 2HB LYS 138 1HB LYS 138 142.779 -3.233 3.624 451 1HG LYS 138 2HG LYS 138 143.594 -4.361 0.956 452 2HG LYS 138 1HG LYS 138 144.698 -4.101 2.308 453 1HD LYS 138 2HD LYS 138 142.247 -5.602 2.948 454 2HD LYS 138 1HD LYS 138 143.368 -6.414 1.853 455 1HE LYS 138 2HE LYS 138 144.227 -7.110 3.846 456 2HE LYS 138 1HE LYS 138 145.135 -5.611 3.650 457 1HZ LYS 138 1HZ LYS 138 143.812 -4.518 5.196 458 2HZ LYS 138 2HZ LYS 138 144.016 -6.050 5.883 459 3HZ LYS 138 3HZ LYS 138 142.565 -5.660 5.106 460 H ASP 139 H ASP 139 140.007 -1.709 3.513 461 HA ASP 139 HA ASP 139 139.344 -3.569 5.575 462 1HB ASP 139 2HB ASP 139 138.475 -0.741 4.995 463 2HB ASP 139 1HB ASP 139 137.858 -1.655 6.369 464 H GLY 140 H GLY 140 138.037 -3.029 2.518 465 1HA GLY 140 2HA GLY 140 135.471 -4.218 3.373 466 2HA GLY 140 1HA GLY 140 135.581 -3.039 2.078 467 H ASP 141 H ASP 141 138.164 -4.387 1.196 468 HA ASP 141 HA ASP 141 136.888 -6.254 -0.594 469 1HB ASP 141 2HB ASP 141 138.997 -4.541 -0.875 470 2HB ASP 141 1HB ASP 141 139.828 -6.077 -0.652 471 H LYS 142 H LYS 142 136.272 -7.960 0.761 472 HA LYS 142 HA LYS 142 138.171 -9.329 2.415 473 1HB LYS 142 2HB LYS 142 135.413 -10.139 1.474 474 2HB LYS 142 1HB LYS 142 136.360 -11.016 2.668 475 1HG LYS 142 2HG LYS 142 135.436 -8.167 2.958 476 2HG LYS 142 1HG LYS 142 134.644 -9.571 3.675 477 1HD LYS 142 2HD LYS 142 137.476 -9.522 4.277 478 2HD LYS 142 1HD LYS 142 136.677 -8.039 4.802 479 1HE LYS 142 2HE LYS 142 136.559 -9.560 6.618 480 2HE LYS 142 1HE LYS 142 134.946 -9.489 5.908 481 1HZ LYS 142 1HZ LYS 142 135.511 -11.541 4.673 482 2HZ LYS 142 2HZ LYS 142 135.492 -11.755 6.351 483 3HZ LYS 142 3HZ LYS 142 136.968 -11.631 5.533 484 H ASN 143 H ASN 143 136.976 -9.661 -0.849 485 HA ASN 143 HA ASN 143 138.306 -12.221 -1.220 486 1HB ASN 143 2HB ASN 143 137.416 -11.967 -3.587 487 2HB ASN 143 1HB ASN 143 136.204 -12.081 -2.314 488 1HD2 ASN 143 1HD2 ASN 143 134.733 -11.096 -3.776 489 2HD2 ASN 143 2HD2 ASN 143 134.751 -9.388 -4.023 490 H ASN 144 H ASN 144 139.226 -9.027 -1.279 491 HA ASN 144 HA ASN 144 140.970 -7.864 -2.154 492 1HB ASN 144 2HB ASN 144 141.942 -10.629 -1.740 493 2HB ASN 144 1HB ASN 144 142.954 -9.599 -2.747 494 1HD2 ASN 144 1HD2 ASN 144 143.404 -7.407 -1.812 495 2HD2 ASN 144 2HD2 ASN 144 143.742 -7.334 -0.120 496 H ASP 145 H ASP 145 138.963 -8.560 -4.067 497 HA ASP 145 HA ASP 145 140.348 -9.385 -6.471 498 1HB ASP 145 2HB ASP 145 137.532 -8.319 -6.215 499 2HB ASP 145 1HB ASP 145 138.204 -9.241 -7.555 500 H GLY 146 H GLY 146 140.427 -6.589 -4.823 501 1HA GLY 146 2HA GLY 146 141.438 -4.613 -5.586 502 2HA GLY 146 1HA GLY 146 141.038 -5.071 -7.233 503 H ARG 147 H ARG 147 138.217 -5.631 -5.909 504 HA ARG 147 HA ARG 147 137.325 -2.851 -5.707 505 1HB ARG 147 2HB ARG 147 135.990 -4.854 -7.534 506 2HB ARG 147 1HB ARG 147 135.539 -3.170 -7.304 507 1HG ARG 147 2HG ARG 147 138.190 -3.031 -8.061 508 2HG ARG 147 1HG ARG 147 137.538 -4.341 -9.047 509 1HD ARG 147 2HD ARG 147 136.010 -1.787 -8.793 510 2HD ARG 147 1HD ARG 147 137.405 -1.859 -9.870 511 HE ARG 147 HE ARG 147 135.749 -4.054 -10.405 512 1HH1 ARG 147 1HH1 ARG 147 135.732 -0.577 -10.711 513 2HH1 ARG 147 2HH1 ARG 147 134.680 -0.579 -12.088 514 1HH2 ARG 147 1HH2 ARG 147 134.367 -4.058 -12.215 515 2HH2 ARG 147 2HH2 ARG 147 133.905 -2.555 -12.941 516 H ILE 148 H ILE 148 135.194 -2.616 -4.783 517 HA ILE 148 HA ILE 148 134.508 -4.886 -3.038 518 HB ILE 148 HB ILE 148 133.884 -1.960 -2.611 519 1HG1 ILE 148 2HG1 ILE 148 135.917 -3.662 -1.160 520 2HG1 ILE 148 1HG1 ILE 148 136.327 -2.579 -2.487 521 1HG2 ILE 148 1HG2 ILE 148 133.596 -4.318 -0.756 522 2HG2 ILE 148 2HG2 ILE 148 132.274 -3.478 -1.569 523 3HG2 ILE 148 3HG2 ILE 148 133.247 -2.637 -0.361 524 1HD1 ILE 148 1HD1 ILE 148 136.769 -1.593 -0.291 525 2HD1 ILE 148 2HD1 ILE 148 135.057 -1.740 0.107 526 3HD1 ILE 148 3HD1 ILE 148 135.569 -0.678 -1.204 527 H ASP 149 H ASP 149 132.628 -5.869 -3.308 528 HA ASP 149 HA ASP 149 130.608 -4.600 -5.023 529 1HB ASP 149 2HB ASP 149 129.670 -6.974 -5.132 530 2HB ASP 149 1HB ASP 149 131.214 -6.700 -5.933 531 H TYR 150 H TYR 150 128.298 -5.328 -4.463 532 HA TYR 150 HA TYR 150 127.614 -4.246 -1.968 533 1HB TYR 150 2HB TYR 150 126.044 -4.204 -3.808 534 2HB TYR 150 1HB TYR 150 125.994 -5.962 -3.860 535 HD1 TYR 150 HD1 TYR 150 125.759 -3.626 -0.957 536 HD2 TYR 150 HD2 TYR 150 123.815 -6.565 -3.340 537 HE1 TYR 150 HE1 TYR 150 123.849 -3.612 0.595 538 HE2 TYR 150 HE2 TYR 150 121.899 -6.559 -1.796 539 HH TYR 150 HH TYR 150 121.251 -4.226 0.318 540 H ASP 151 H ASP 151 128.545 -7.439 -2.841 541 HA ASP 151 HA ASP 151 127.259 -8.804 -0.694 542 1HB ASP 151 2HB ASP 151 128.641 -9.558 -2.979 543 2HB ASP 151 1HB ASP 151 129.699 -10.070 -1.669 544 H GLU 152 H GLU 152 130.685 -7.988 -1.242 545 HA GLU 152 HA GLU 152 131.404 -8.605 1.448 546 1HB GLU 152 2HB GLU 152 133.606 -7.518 0.780 547 2HB GLU 152 1HB GLU 152 133.112 -8.938 -0.130 548 1HG GLU 152 2HG GLU 152 132.243 -7.439 -1.898 549 2HG GLU 152 1HG GLU 152 132.895 -6.071 -1.002 550 H PHE 153 H PHE 153 130.483 -5.660 -0.223 551 HA PHE 153 HA PHE 153 131.483 -3.841 1.704 552 1HB PHE 153 2HB PHE 153 130.371 -3.533 -0.743 553 2HB PHE 153 1HB PHE 153 129.007 -3.080 0.270 554 HD1 PHE 153 HD1 PHE 153 130.113 -1.626 2.452 555 HD2 PHE 153 HD2 PHE 153 131.363 -1.665 -1.614 556 HE1 PHE 153 HE1 PHE 153 131.076 0.620 2.733 557 HE2 PHE 153 HE2 PHE 153 132.329 0.581 -1.341 558 HZ PHE 153 HZ PHE 153 132.187 1.726 0.834 559 H LEU 154 H LEU 154 128.528 -5.703 1.469 560 HA LEU 154 HA LEU 154 126.881 -4.432 3.274 561 1HB LEU 154 2HB LEU 154 126.739 -6.739 1.888 562 2HB LEU 154 1HB LEU 154 127.016 -7.382 3.496 563 HG LEU 154 HG LEU 154 124.617 -7.240 2.881 564 1HD1 LEU 154 1HD1 LEU 154 124.746 -5.302 5.065 565 2HD1 LEU 154 2HD1 LEU 154 125.805 -6.697 5.276 566 3HD1 LEU 154 3HD1 LEU 154 124.076 -6.933 5.028 567 1HD2 LEU 154 1HD2 LEU 154 125.204 -4.873 1.747 568 2HD2 LEU 154 2HD2 LEU 154 124.571 -4.322 3.297 569 3HD2 LEU 154 3HD2 LEU 154 123.580 -5.338 2.250 570 H GLU 155 H GLU 155 129.741 -6.329 3.886 571 HA GLU 155 HA GLU 155 129.280 -6.571 6.717 572 1HB GLU 155 2HB GLU 155 131.563 -7.233 4.882 573 2HB GLU 155 1HB GLU 155 131.788 -7.257 6.626 574 1HG GLU 155 2HG GLU 155 129.478 -8.712 6.266 575 2HG GLU 155 1HG GLU 155 130.475 -9.174 4.887 576 H PHE 156 H PHE 156 130.780 -4.282 4.592 577 HA PHE 156 HA PHE 156 132.555 -3.027 6.344 578 1HB PHE 156 2HB PHE 156 131.776 -2.644 3.734 579 2HB PHE 156 1HB PHE 156 131.159 -1.197 4.525 580 HD1 PHE 156 HD1 PHE 156 133.146 -0.574 6.515 581 HD2 PHE 156 HD2 PHE 156 133.672 -2.067 2.564 582 HE1 PHE 156 HE1 PHE 156 135.391 0.429 6.439 583 HE2 PHE 156 HE2 PHE 156 135.919 -1.067 2.483 584 HZ PHE 156 HZ PHE 156 136.780 0.181 4.421 585 H MET 157 H MET 157 129.127 -3.066 6.365 586 HA MET 157 HA MET 157 129.096 -0.795 8.241 587 1HB MET 157 2HB MET 157 127.461 -1.368 5.997 588 2HB MET 157 1HB MET 157 126.455 -1.568 7.425 589 1HG MET 157 2HG MET 157 126.151 0.624 7.376 590 2HG MET 157 1HG MET 157 127.821 0.779 7.915 591 1HE MET 157 1HE MET 157 129.947 1.225 5.956 592 2HE MET 157 2HE MET 157 129.539 0.810 4.291 593 3HE MET 157 3HE MET 157 129.326 -0.382 5.573 594 H LYS 158 H LYS 158 129.669 -3.753 8.650 595 HA LYS 158 HA LYS 158 127.466 -4.733 10.201 596 1HB LYS 158 2HB LYS 158 129.509 -5.951 8.925 597 2HB LYS 158 1HB LYS 158 130.129 -5.959 10.569 598 1HG LYS 158 2HG LYS 158 127.342 -6.813 10.343 599 2HG LYS 158 1HG LYS 158 128.491 -7.848 9.493 600 1HD LYS 158 2HD LYS 158 129.824 -8.007 11.571 601 2HD LYS 158 1HD LYS 158 128.593 -7.055 12.403 602 1HE LYS 158 2HE LYS 158 127.080 -9.007 11.274 603 2HE LYS 158 1HE LYS 158 128.578 -9.879 11.595 604 1HZ LYS 158 1HZ LYS 158 128.277 -9.756 13.807 605 2HZ LYS 158 2HZ LYS 158 126.648 -9.566 13.393 606 3HZ LYS 158 3HZ LYS 158 127.591 -8.209 13.758 607 H GLY 159 H GLY 159 129.109 -2.181 10.989 608 1HA GLY 159 2HA GLY 159 128.754 -1.474 13.327 609 2HA GLY 159 1HA GLY 159 129.449 -3.010 13.805 610 H VAL 160 H VAL 160 131.320 -2.217 11.286 611 HA VAL 160 HA VAL 160 133.625 -1.720 12.653 612 HB VAL 160 HB VAL 160 134.545 -0.731 10.599 613 1HG1 VAL 160 1HG1 VAL 160 134.104 -2.629 9.108 614 2HG1 VAL 160 2HG1 VAL 160 132.739 -3.098 10.120 615 3HG1 VAL 160 3HG1 VAL 160 134.378 -3.148 10.771 616 1HG2 VAL 160 1HG2 VAL 160 133.065 -0.493 8.621 617 2HG2 VAL 160 2HG2 VAL 160 132.708 0.661 9.906 618 3HG2 VAL 160 3HG2 VAL 160 131.674 -0.749 9.675 619 H GLU 161 H GLU 161 131.307 0.686 11.483 620 HA GLU 161 HA GLU 161 132.648 2.687 13.180 621 1HB GLU 161 2HB GLU 161 131.182 3.277 10.607 622 2HB GLU 161 1HB GLU 161 132.102 4.409 11.587 623 1HG GLU 161 2HG GLU 161 133.914 2.401 11.000 624 2HG GLU 161 1HG GLU 161 132.992 2.603 9.512
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