NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28616 | 3lri | 4494 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -6.691 24.938 2.776 2 HA MET 1 HA MET 1 -6.304 25.987 0.479 3 2HB MET 1 2HB MET 1 -5.204 23.279 0.236 4 2HG MET 1 2HG MET 1 -4.307 25.968 0.129 5 1HE MET 1 1HE MET 1 -2.760 27.278 0.711 6 2HE MET 1 2HE MET 1 -2.906 27.691 2.436 7 3HE MET 1 3HE MET 1 -1.383 27.015 1.809 8 H PHE 2 H PHE 2 -5.886 24.828 -1.813 9 HA PHE 2 HA PHE 2 -6.891 24.194 -3.677 10 2HB PHE 2 2HB PHE 2 -7.805 21.868 -3.559 11 HD1 PHE 2 HD1 PHE 2 -5.400 21.907 -4.399 12 HD2 PHE 2 HD2 PHE 2 -6.396 21.475 -0.296 13 HE1 PHE 2 HE1 PHE 2 -3.120 20.960 -3.945 14 HE2 PHE 2 HE2 PHE 2 -4.117 20.527 0.157 15 HZ PHE 2 HZ PHE 2 -2.506 20.281 -1.672 16 HA PRO 3 HA PRO 3 -10.904 25.977 -3.046 17 2HB PRO 3 2HB PRO 3 -10.325 28.038 -3.894 18 2HG PRO 3 2HG PRO 3 -8.297 28.092 -4.992 19 2HD PRO 3 2HD PRO 3 -7.252 26.297 -4.008 20 H ALA 4 H ALA 4 -10.671 25.765 -6.510 21 HA ALA 4 HA ALA 4 -12.955 24.784 -7.188 22 1HB ALA 4 1HB ALA 4 -10.195 24.240 -8.090 23 2HB ALA 4 2HB ALA 4 -11.378 23.009 -8.595 24 3HB ALA 4 3HB ALA 4 -11.632 24.717 -9.027 25 H MET 5 H MET 5 -10.395 22.630 -5.774 26 HA MET 5 HA MET 5 -11.626 20.283 -5.823 27 2HB MET 5 2HB MET 5 -10.577 20.164 -3.302 28 2HG MET 5 2HG MET 5 -8.317 19.880 -4.357 29 1HE MET 5 1HE MET 5 -8.989 19.342 -7.485 30 2HE MET 5 2HE MET 5 -8.276 17.746 -7.145 31 3HE MET 5 3HE MET 5 -9.934 17.863 -7.782 32 HA PRO 6 HA PRO 6 -15.094 20.322 -3.214 33 2HB PRO 6 2HB PRO 6 -15.617 18.127 -3.671 34 2HG PRO 6 2HG PRO 6 -13.824 16.821 -4.304 35 2HD PRO 6 2HD PRO 6 -12.405 18.441 -5.110 36 H LEU 7 H LEU 7 -12.523 18.794 -1.322 37 HA LEU 7 HA LEU 7 -12.673 20.908 0.589 38 2HB LEU 7 2HB LEU 7 -13.404 18.228 1.704 39 HG LEU 7 HG LEU 7 -12.906 20.617 2.946 40 1HD1 LEU 7 1HD1 LEU 7 -15.304 21.138 1.735 41 2HD1 LEU 7 2HD1 LEU 7 -15.819 20.567 3.341 42 3HD1 LEU 7 3HD1 LEU 7 -14.695 21.940 3.203 43 1HD2 LEU 7 1HD2 LEU 7 -14.591 18.247 3.746 44 2HD2 LEU 7 2HD2 LEU 7 -12.908 18.628 4.184 45 3HD2 LEU 7 3HD2 LEU 7 -14.244 19.584 4.869 46 H SER 8 H SER 8 -10.907 20.794 2.128 47 HA SER 8 HA SER 8 -9.166 18.567 2.012 48 2HB SER 8 2HB SER 8 -7.551 19.278 0.579 49 HG SER 8 HG SER 8 -9.078 19.772 -0.932 50 H SER 9 H SER 9 -10.382 19.406 4.224 51 HA SER 9 HA SER 9 -8.237 20.408 5.775 52 2HB SER 9 2HB SER 9 -9.517 22.344 6.740 53 HG SER 9 HG SER 9 -8.825 23.701 5.185 54 H LEU 10 H LEU 10 -8.452 18.456 6.955 55 HA LEU 10 HA LEU 10 -9.888 18.317 9.168 56 2HB LEU 10 2HB LEU 10 -11.759 16.613 8.130 57 HG LEU 10 HG LEU 10 -11.870 19.445 9.044 58 1HD1 LEU 10 1HD1 LEU 10 -13.656 18.430 7.004 59 2HD1 LEU 10 2HD1 LEU 10 -14.541 18.817 8.500 60 3HD1 LEU 10 3HD1 LEU 10 -13.538 20.059 7.713 61 1HD2 LEU 10 1HD2 LEU 10 -12.299 16.914 10.164 62 2HD2 LEU 10 2HD2 LEU 10 -12.615 18.499 10.909 63 3HD2 LEU 10 3HD2 LEU 10 -13.913 17.653 10.034 64 H PHE 11 H PHE 11 -8.542 16.767 6.332 65 HA PHE 11 HA PHE 11 -7.264 14.840 8.005 66 2HB PHE 11 2HB PHE 11 -8.555 13.429 5.771 67 HD1 PHE 11 HD1 PHE 11 -6.681 12.951 8.209 68 HD2 PHE 11 HD2 PHE 11 -10.811 12.248 7.533 69 HE1 PHE 11 HE1 PHE 11 -6.638 11.085 9.888 70 HE2 PHE 11 HE2 PHE 11 -10.768 10.383 9.212 71 HZ PHE 11 HZ PHE 11 -8.682 9.823 10.369 72 H VAL 12 H VAL 12 -7.833 16.550 5.006 73 HA VAL 12 HA VAL 12 -5.571 15.224 3.731 74 HB VAL 12 HB VAL 12 -7.983 16.626 2.881 75 1HG1 VAL 12 1HG1 VAL 12 -5.314 17.463 1.756 76 2HG1 VAL 12 2HG1 VAL 12 -6.770 17.444 0.732 77 3HG1 VAL 12 3HG1 VAL 12 -6.721 18.463 2.190 78 1HG2 VAL 12 1HG2 VAL 12 -6.512 14.278 2.268 79 2HG2 VAL 12 2HG2 VAL 12 -8.088 14.791 1.619 80 3HG2 VAL 12 3HG2 VAL 12 -6.588 15.247 0.777 81 H ASN 13 H ASN 13 -3.703 15.972 4.699 82 HA ASN 13 HA ASN 13 -3.509 18.843 5.045 83 2HB ASN 13 2HB ASN 13 -1.272 18.100 6.212 84 1HD2 ASN 13 2HD2 ASN 13 -1.523 16.975 8.507 85 2HD2 ASN 13 1HD2 ASN 13 -2.912 17.484 9.409 86 H GLY 14 H GLY 14 -3.499 18.217 2.373 87 1HA GLY 14 1HA GLY 14 -1.474 19.306 1.133 88 2HA GLY 14 2HA GLY 14 -0.732 17.766 1.518 89 HA PRO 15 HA PRO 15 -3.173 15.745 -1.510 90 2HB PRO 15 2HB PRO 15 -3.118 13.635 -0.591 91 2HG PRO 15 2HG PRO 15 -2.990 13.590 1.712 92 2HD PRO 15 2HD PRO 15 -2.046 15.649 2.108 93 H ARG 16 H ARG 16 -5.775 14.631 -1.769 94 HA ARG 16 HA ARG 16 -7.144 17.176 -1.935 95 2HB ARG 16 2HB ARG 16 -8.771 15.488 -3.319 96 2HG ARG 16 2HG ARG 16 -6.131 16.682 -4.285 97 2HD ARG 16 2HD ARG 16 -6.901 16.419 -6.536 98 HE ARG 16 HE ARG 16 -7.849 13.784 -5.704 99 1HH1 ARG 16 1HH1 ARG 16 -5.009 15.845 -5.972 100 2HH1 ARG 16 2HH1 ARG 16 -3.896 14.520 -6.035 101 1HH2 ARG 16 1HH2 ARG 16 -6.380 12.035 -5.787 102 2HH2 ARG 16 2HH2 ARG 16 -4.681 12.338 -5.929 103 H THR 17 H THR 17 -8.769 13.990 -1.956 104 HA THR 17 HA THR 17 -10.183 14.791 0.494 105 HB THR 17 HB THR 17 -11.482 14.513 -1.671 106 HG1 THR 17 HG1 THR 17 -13.039 13.655 -0.322 107 1HG2 THR 17 1HG2 THR 17 -10.469 11.651 -1.317 108 2HG2 THR 17 2HG2 THR 17 -11.955 12.032 -2.219 109 3HG2 THR 17 3HG2 THR 17 -10.386 12.656 -2.783 110 H LEU 18 H LEU 18 -7.445 13.435 0.193 111 HA LEU 18 HA LEU 18 -7.991 10.795 1.212 112 2HB LEU 18 2HB LEU 18 -5.509 10.669 1.334 113 HG LEU 18 HG LEU 18 -6.997 10.440 -0.923 114 1HD1 LEU 18 1HD1 LEU 18 -6.540 12.874 -1.428 115 2HD1 LEU 18 2HD1 LEU 18 -4.843 12.413 -1.706 116 3HD1 LEU 18 3HD1 LEU 18 -6.132 11.719 -2.719 117 1HD2 LEU 18 1HD2 LEU 18 -4.287 9.810 -0.086 118 2HD2 LEU 18 2HD2 LEU 18 -5.446 8.851 -1.038 119 3HD2 LEU 18 3HD2 LEU 18 -4.400 10.043 -1.847 120 H CYS 19 H CYS 19 -6.083 10.441 3.191 121 HA CYS 19 HA CYS 19 -7.250 12.085 5.297 122 2HB CYS 19 2HB CYS 19 -5.704 10.005 6.411 123 H GLY 20 H GLY 20 -5.005 12.782 3.297 124 1HA GLY 20 1HA GLY 20 -3.324 14.349 3.729 125 2HA GLY 20 2HA GLY 20 -3.080 13.671 5.327 126 H ALA 21 H ALA 21 -1.180 14.184 2.986 127 HA ALA 21 HA ALA 21 -0.442 11.761 1.825 128 1HB ALA 21 1HB ALA 21 0.264 14.365 1.536 129 2HB ALA 21 2HB ALA 21 1.672 13.768 2.446 130 3HB ALA 21 3HB ALA 21 1.230 13.014 0.896 131 H GLU 22 H GLU 22 -0.364 12.764 5.099 132 HA GLU 22 HA GLU 22 1.930 11.934 6.137 133 2HB GLU 22 2HB GLU 22 -0.517 10.865 7.501 134 2HG GLU 22 2HG GLU 22 0.713 12.803 9.079 135 H LEU 23 H LEU 23 -0.902 9.677 5.723 136 HA LEU 23 HA LEU 23 0.392 7.361 6.349 137 2HB LEU 23 2HB LEU 23 -1.316 6.342 4.701 138 HG LEU 23 HG LEU 23 -1.955 7.901 7.167 139 1HD1 LEU 23 1HD1 LEU 23 -3.784 8.117 5.220 140 2HD1 LEU 23 2HD1 LEU 23 -4.261 6.536 5.883 141 3HD1 LEU 23 3HD1 LEU 23 -4.208 7.965 6.942 142 1HD2 LEU 23 1HD2 LEU 23 -2.322 5.015 6.322 143 2HD2 LEU 23 2HD2 LEU 23 -1.080 5.670 7.416 144 3HD2 LEU 23 3HD2 LEU 23 -2.791 5.684 7.903 145 H VAL 24 H VAL 24 0.728 9.387 3.483 146 HA VAL 24 HA VAL 24 1.866 7.379 1.837 147 HB VAL 24 HB VAL 24 0.957 10.006 1.592 148 1HG1 VAL 24 1HG1 VAL 24 3.945 9.835 1.214 149 2HG1 VAL 24 2HG1 VAL 24 2.961 10.959 0.246 150 3HG1 VAL 24 3HG1 VAL 24 2.980 11.094 2.021 151 1HG2 VAL 24 1HG2 VAL 24 2.253 8.074 -0.347 152 2HG2 VAL 24 2HG2 VAL 24 0.520 8.381 -0.081 153 3HG2 VAL 24 3HG2 VAL 24 1.534 9.619 -0.860 154 H ASP 25 H ASP 25 3.181 9.963 4.000 155 HA ASP 25 HA ASP 25 5.836 9.424 3.384 156 2HB ASP 25 2HB ASP 25 5.856 10.379 6.008 157 H ALA 26 H ALA 26 3.428 7.717 5.210 158 HA ALA 26 HA ALA 26 5.101 6.556 7.179 159 1HB ALA 26 1HB ALA 26 2.388 6.748 6.689 160 2HB ALA 26 2HB ALA 26 2.720 5.038 6.324 161 3HB ALA 26 3HB ALA 26 3.138 5.704 7.921 162 H LEU 27 H LEU 27 3.646 5.258 4.105 163 HA LEU 27 HA LEU 27 4.950 2.837 4.142 164 2HB LEU 27 2HB LEU 27 4.399 2.675 1.831 165 HG LEU 27 HG LEU 27 2.450 3.327 3.679 166 1HD1 LEU 27 1HD1 LEU 27 2.620 5.671 2.500 167 2HD1 LEU 27 2HD1 LEU 27 1.625 4.878 1.255 168 3HD1 LEU 27 3HD1 LEU 27 1.040 4.975 2.933 169 1HD2 LEU 27 1HD2 LEU 27 2.648 1.994 1.097 170 2HD2 LEU 27 2HD2 LEU 27 1.715 1.556 2.548 171 3HD2 LEU 27 3HD2 LEU 27 1.040 2.706 1.370 172 H GLN 28 H GLN 28 6.059 6.054 2.980 173 HA GLN 28 HA GLN 28 8.507 4.911 2.046 174 2HB GLN 28 2HB GLN 28 8.426 7.846 2.337 175 2HG GLN 28 2HG GLN 28 9.778 7.515 0.548 176 1HE2 GLN 28 2HE2 GLN 28 11.288 6.063 0.981 177 2HE2 GLN 28 1HE2 GLN 28 11.193 4.360 0.680 178 H PHE 29 H PHE 29 7.213 5.922 5.056 179 HA PHE 29 HA PHE 29 9.502 7.093 6.197 180 2HB PHE 29 2HB PHE 29 6.794 6.166 6.875 181 HD1 PHE 29 HD1 PHE 29 9.924 6.159 8.923 182 HD2 PHE 29 HD2 PHE 29 5.955 4.729 8.462 183 HE1 PHE 29 HE1 PHE 29 10.203 4.726 10.964 184 HE2 PHE 29 HE2 PHE 29 6.235 3.296 10.504 185 HZ PHE 29 HZ PHE 29 8.355 3.312 11.731 186 H VAL 30 H VAL 30 8.348 3.720 5.825 187 HA VAL 30 HA VAL 30 10.587 2.790 7.446 188 HB VAL 30 HB VAL 30 7.951 1.764 6.608 189 1HG1 VAL 30 1HG1 VAL 30 10.423 0.073 6.502 190 2HG1 VAL 30 2HG1 VAL 30 8.929 -0.632 7.165 191 3HG1 VAL 30 3HG1 VAL 30 8.950 0.009 5.505 192 1HG2 VAL 30 1HG2 VAL 30 9.727 1.687 9.032 193 2HG2 VAL 30 2HG2 VAL 30 8.053 2.270 8.866 194 3HG2 VAL 30 3HG2 VAL 30 8.390 0.522 8.877 195 H CYS 31 H CYS 31 9.456 3.153 4.121 196 HA CYS 31 HA CYS 31 11.510 1.355 3.158 197 2HB CYS 31 2HB CYS 31 10.197 2.783 1.053 198 H GLY 32 H GLY 32 10.792 4.770 3.719 199 1HA GLY 32 1HA GLY 32 13.311 5.741 3.639 200 2HA GLY 32 2HA GLY 32 12.846 5.765 1.949 201 H ASP 33 H ASP 33 12.587 7.351 5.019 202 HA ASP 33 HA ASP 33 10.295 8.609 5.123 203 2HB ASP 33 2HB ASP 33 13.113 9.693 5.427 204 H ARG 34 H ARG 34 12.689 8.859 2.544 205 HA ARG 34 HA ARG 34 12.527 11.181 1.429 206 2HB ARG 34 2HB ARG 34 12.318 9.970 -0.858 207 2HG ARG 34 2HG ARG 34 14.376 8.403 -0.209 208 2HD ARG 34 2HD ARG 34 14.094 11.141 -0.907 209 HE ARG 34 HE ARG 34 14.978 12.153 1.020 210 1HH1 ARG 34 1HH1 ARG 34 16.847 9.276 0.236 211 2HH1 ARG 34 2HH1 ARG 34 18.088 9.610 1.398 212 1HH2 ARG 34 1HH2 ARG 34 16.615 12.594 2.552 213 2HH2 ARG 34 2HH2 ARG 34 17.955 11.510 2.724 214 H GLY 35 H GLY 35 9.774 8.960 1.794 215 1HA GLY 35 1HA GLY 35 7.574 9.795 1.919 216 2HA GLY 35 2HA GLY 35 7.990 11.079 0.801 217 H PHE 36 H PHE 36 6.113 8.434 0.983 218 HA PHE 36 HA PHE 36 6.658 7.651 -1.794 219 2HB PHE 36 2HB PHE 36 5.579 6.210 0.688 220 HD1 PHE 36 HD1 PHE 36 6.684 4.839 -2.568 221 HD2 PHE 36 HD2 PHE 36 3.456 5.333 0.142 222 HE1 PHE 36 HE1 PHE 36 5.311 3.220 -3.908 223 HE2 PHE 36 HE2 PHE 36 2.084 3.713 -1.197 224 HZ PHE 36 HZ PHE 36 3.027 2.676 -3.206 225 H TYR 37 H TYR 37 4.459 6.534 -2.697 226 HA TYR 37 HA TYR 37 2.419 8.603 -2.317 227 2HB TYR 37 2HB TYR 37 2.486 6.427 -4.454 228 HD1 TYR 37 HD1 TYR 37 0.339 8.439 -3.224 229 HD2 TYR 37 HD2 TYR 37 2.807 8.452 -6.719 230 HE1 TYR 37 HE1 TYR 37 -1.344 9.926 -4.416 231 HE2 TYR 37 HE2 TYR 37 1.115 9.939 -7.899 232 HH TYR 37 HH TYR 37 -0.983 10.683 -7.825 233 H PHE 38 H PHE 38 0.662 6.503 -3.878 234 HA PHE 38 HA PHE 38 0.137 4.647 -1.710 235 2HB PHE 38 2HB PHE 38 -2.366 5.395 -1.995 236 HD1 PHE 38 HD1 PHE 38 -0.103 5.269 0.084 237 HD2 PHE 38 HD2 PHE 38 -2.506 8.459 -1.351 238 HE1 PHE 38 HE1 PHE 38 0.202 6.479 2.261 239 HE2 PHE 38 HE2 PHE 38 -2.201 9.669 0.827 240 HZ PHE 38 HZ PHE 38 -0.850 8.664 2.607 241 H ASN 39 H ASN 39 -2.597 5.103 -3.682 242 HA ASN 39 HA ASN 39 -2.017 2.670 -5.038 243 2HB ASN 39 2HB ASN 39 -4.395 4.538 -4.814 244 1HD2 ASN 39 2HD2 ASN 39 -6.272 4.147 -5.987 245 2HD2 ASN 39 1HD2 ASN 39 -6.265 3.414 -7.557 246 H LYS 40 H LYS 40 -0.210 3.407 -6.435 247 HA LYS 40 HA LYS 40 -0.993 5.355 -8.477 248 2HB LYS 40 2HB LYS 40 1.177 6.017 -8.603 249 2HG LYS 40 2HG LYS 40 0.336 5.645 -6.013 250 2HD LYS 40 2HD LYS 40 1.682 3.429 -6.046 251 2HE LYS 40 2HE LYS 40 4.112 5.091 -5.470 252 1HZ LYS 40 1HZ LYS 40 3.605 2.499 -5.615 253 2HZ LYS 40 2HZ LYS 40 4.161 2.754 -7.129 254 3HZ LYS 40 3HZ LYS 40 5.090 3.139 -5.843 255 HA PRO 41 HA PRO 41 -1.444 1.712 -10.910 256 2HB PRO 41 2HB PRO 41 -3.662 2.115 -11.378 257 2HG PRO 41 2HG PRO 41 -4.388 4.238 -10.845 258 2HD PRO 41 2HD PRO 41 -2.858 4.798 -9.223 259 H THR 42 H THR 42 0.994 2.861 -10.920 260 HA THR 42 HA THR 42 1.892 4.157 -13.087 261 HB THR 42 HB THR 42 3.072 1.723 -11.652 262 HG1 THR 42 HG1 THR 42 3.181 4.650 -11.506 263 1HG2 THR 42 1HG2 THR 42 4.080 2.976 -13.989 264 2HG2 THR 42 2HG2 THR 42 4.942 3.760 -12.643 265 3HG2 THR 42 3HG2 THR 42 5.012 1.992 -12.835 266 H GLY 43 H GLY 43 2.870 0.802 -13.413 267 1HA GLY 43 1HA GLY 43 2.863 0.587 -16.065 268 2HA GLY 43 2HA GLY 43 2.414 -0.745 -15.019 269 H TYR 44 H TYR 44 0.037 -0.846 -14.311 270 HA TYR 44 HA TYR 44 -1.811 0.555 -16.025 271 2HB TYR 44 2HB TYR 44 -1.857 -2.494 -15.969 272 HD1 TYR 44 HD1 TYR 44 -2.096 0.526 -18.193 273 HD2 TYR 44 HD2 TYR 44 -3.616 -3.351 -17.214 274 HE1 TYR 44 HE1 TYR 44 -3.910 0.784 -19.956 275 HE2 TYR 44 HE2 TYR 44 -5.425 -3.080 -18.980 276 HH TYR 44 HH TYR 44 -6.548 -0.677 -20.051 277 H GLY 45 H GLY 45 -3.842 0.720 -15.088 278 1HA GLY 45 1HA GLY 45 -4.309 0.602 -12.488 279 2HA GLY 45 2HA GLY 45 -5.554 0.224 -13.662 280 H SER 46 H SER 46 -5.578 -2.140 -14.497 281 HA SER 46 HA SER 46 -5.439 -3.792 -12.160 282 2HB SER 46 2HB SER 46 -6.361 -4.530 -14.970 283 HG SER 46 HG SER 46 -7.485 -6.183 -13.932 284 H SER 47 H SER 47 -2.903 -3.370 -12.391 285 HA SER 47 HA SER 47 -1.820 -5.812 -13.212 286 2HB SER 47 2HB SER 47 -0.670 -3.521 -14.815 287 HG SER 47 HG SER 47 0.201 -5.147 -16.015 288 H SER 48 H SER 48 -1.597 -5.099 -10.774 289 HA SER 48 HA SER 48 1.107 -4.333 -10.454 290 2HB SER 48 2HB SER 48 0.530 -2.431 -8.827 291 HG SER 48 HG SER 48 0.233 -0.878 -10.560 292 H ARG 49 H ARG 49 1.840 -4.715 -8.196 293 HA ARG 49 HA ARG 49 1.006 -6.942 -7.097 294 2HB ARG 49 2HB ARG 49 1.747 -5.811 -4.803 295 2HG ARG 49 2HG ARG 49 3.365 -6.292 -7.304 296 2HD ARG 49 2HD ARG 49 5.432 -5.936 -5.778 297 HE ARG 49 HE ARG 49 3.997 -3.998 -7.345 298 1HH1 ARG 49 1HH1 ARG 49 6.588 -4.218 -4.974 299 2HH1 ARG 49 2HH1 ARG 49 7.388 -2.785 -5.527 300 1HH2 ARG 49 1HH2 ARG 49 5.052 -2.107 -8.074 301 2HH2 ARG 49 2HH2 ARG 49 6.508 -1.576 -7.302 302 H ARG 50 H ARG 50 -0.985 -7.661 -6.406 303 HA ARG 50 HA ARG 50 -3.218 -6.366 -6.190 304 2HB ARG 50 2HB ARG 50 -3.941 -8.024 -4.406 305 2HG ARG 50 2HG ARG 50 -2.206 -9.724 -6.103 306 2HD ARG 50 2HD ARG 50 -5.096 -9.618 -6.672 307 HE ARG 50 HE ARG 50 -4.484 -11.846 -6.929 308 1HH1 ARG 50 1HH1 ARG 50 -2.632 -10.498 -4.257 309 2HH1 ARG 50 2HH1 ARG 50 -1.782 -11.972 -3.935 310 1HH2 ARG 50 2HH2 ARG 50 -3.363 -13.791 -6.503 311 2HH2 ARG 50 1HH2 ARG 50 -2.201 -13.858 -5.221 312 H ALA 51 H ALA 51 -3.258 -4.223 -5.403 313 HA ALA 51 HA ALA 51 -3.371 -3.948 -2.560 314 1HB ALA 51 1HB ALA 51 -0.901 -3.828 -3.049 315 2HB ALA 51 2HB ALA 51 -1.225 -2.404 -4.066 316 3HB ALA 51 3HB ALA 51 -1.569 -2.348 -2.320 317 H CYS 52 H CYS 52 -2.714 -0.946 -3.070 318 HA CYS 52 HA CYS 52 -3.780 0.887 -3.641 319 2HB CYS 52 2HB CYS 52 -4.581 -0.911 -5.863 320 HG CYS 52 HG CYS 52 -6.777 -0.196 -6.351 321 H GLN 53 H GLN 53 -6.358 -1.597 -4.306 322 HA GLN 53 HA GLN 53 -8.456 -0.385 -3.294 323 2HB GLN 53 2HB GLN 53 -7.615 -3.196 -3.547 324 2HG GLN 53 2HG GLN 53 -9.580 -2.357 -1.389 325 1HE2 GLN 53 2HE2 GLN 53 -11.443 -3.329 -1.190 326 2HE2 GLN 53 1HE2 GLN 53 -11.962 -4.780 -1.981 327 H THR 54 H THR 54 -5.698 -1.570 -1.429 328 HA THR 54 HA THR 54 -7.075 -1.356 1.100 329 HB THR 54 HB THR 54 -4.303 -2.095 0.103 330 HG1 THR 54 HG1 THR 54 -6.381 -3.188 1.868 331 1HG2 THR 54 1HG2 THR 54 -5.124 -1.232 2.888 332 2HG2 THR 54 2HG2 THR 54 -4.042 -2.635 2.714 333 3HG2 THR 54 3HG2 THR 54 -3.551 -1.047 2.077 334 H GLY 55 H GLY 55 -7.186 1.029 -0.562 335 1HA GLY 55 1HA GLY 55 -5.773 3.106 -0.490 336 2HA GLY 55 2HA GLY 55 -7.285 3.194 0.390 337 H ILE 56 H ILE 56 -3.752 2.853 0.654 338 HA ILE 56 HA ILE 56 -3.564 2.434 3.391 339 HB ILE 56 HB ILE 56 -1.852 2.776 1.236 340 2HG1 ILE 56 2HG1 ILE 56 -1.037 2.505 4.140 341 1HG2 ILE 56 1HG2 ILE 56 -1.908 5.251 1.884 342 2HG2 ILE 56 2HG2 ILE 56 -0.996 4.768 3.334 343 3HG2 ILE 56 3HG2 ILE 56 -0.313 4.478 1.716 344 1HD1 ILE 56 1HD1 ILE 56 -2.514 0.665 2.280 345 2HD1 ILE 56 2HD1 ILE 56 -1.216 -0.040 3.273 346 3HD1 ILE 56 3HD1 ILE 56 -2.588 0.783 4.054 347 H VAL 57 H VAL 57 -5.059 4.983 1.775 348 HA VAL 57 HA VAL 57 -4.491 6.818 3.998 349 HB VAL 57 HB VAL 57 -5.826 8.091 1.823 350 1HG1 VAL 57 1HG1 VAL 57 -4.367 9.159 3.509 351 2HG1 VAL 57 2HG1 VAL 57 -2.959 8.333 2.798 352 3HG1 VAL 57 3HG1 VAL 57 -3.861 9.536 1.845 353 1HG2 VAL 57 1HG2 VAL 57 -3.355 6.528 1.001 354 2HG2 VAL 57 2HG2 VAL 57 -5.008 6.305 0.380 355 3HG2 VAL 57 3HG2 VAL 57 -4.128 7.815 0.045 356 H ASP 58 H ASP 58 -7.062 5.539 1.788 357 HA ASP 58 HA ASP 58 -9.054 6.570 3.574 358 2HB ASP 58 2HB ASP 58 -9.406 4.773 1.133 359 H GLU 59 H GLU 59 -7.331 3.578 2.766 360 HA GLU 59 HA GLU 59 -9.254 1.953 4.155 361 2HB GLU 59 2HB GLU 59 -6.610 0.843 3.273 362 2HG GLU 59 2HG GLU 59 -9.210 -0.136 3.939 363 H CYS 60 H CYS 60 -6.271 3.692 4.746 364 HA CYS 60 HA CYS 60 -5.525 2.093 7.001 365 2HB CYS 60 2HB CYS 60 -4.017 4.263 7.314 366 H CYS 61 H CYS 61 -7.128 5.247 6.285 367 HA CYS 61 HA CYS 61 -7.359 5.985 9.002 368 2HB CYS 61 2HB CYS 61 -9.350 7.338 7.608 369 H PHE 62 H PHE 62 -9.234 4.062 6.658 370 HA PHE 62 HA PHE 62 -11.509 3.936 8.445 371 2HB PHE 62 2HB PHE 62 -10.800 2.607 5.760 372 HD1 PHE 62 HD1 PHE 62 -11.914 0.580 7.074 373 HD2 PHE 62 HD2 PHE 62 -13.972 4.067 5.805 374 HE1 PHE 62 HE1 PHE 62 -14.087 -0.674 7.152 375 HE2 PHE 62 HE2 PHE 62 -16.145 2.813 5.883 376 HZ PHE 62 HZ PHE 62 -16.176 0.457 6.556 377 H ARG 63 H ARG 63 -9.004 1.746 7.005 378 HA ARG 63 HA ARG 63 -9.881 -0.267 8.897 379 2HB ARG 63 2HB ARG 63 -7.759 -0.905 6.874 380 2HG ARG 63 2HG ARG 63 -10.276 -2.212 7.971 381 2HD ARG 63 2HD ARG 63 -8.506 -3.454 5.831 382 HE ARG 63 HE ARG 63 -10.596 -4.473 7.416 383 1HH1 ARG 63 1HH1 ARG 63 -9.911 -4.157 3.979 384 2HH1 ARG 63 2HH1 ARG 63 -10.832 -5.555 3.536 385 1HH2 ARG 63 1HH2 ARG 63 -11.811 -6.318 6.833 386 2HH2 ARG 63 2HH2 ARG 63 -11.920 -6.793 5.171 387 H SER 64 H SER 64 -8.839 0.403 10.834 388 HA SER 64 HA SER 64 -6.654 1.610 11.370 389 2HB SER 64 2HB SER 64 -6.170 -0.240 13.182 390 HG SER 64 HG SER 64 -8.795 0.970 12.966 391 H CYS 65 H CYS 65 -4.899 1.671 9.942 392 HA CYS 65 HA CYS 65 -3.449 -0.861 9.679 393 2HB CYS 65 2HB CYS 65 -4.632 0.555 7.597 394 H ASP 66 H ASP 66 -1.929 -0.472 11.325 395 HA ASP 66 HA ASP 66 -0.927 2.007 11.949 396 2HB ASP 66 2HB ASP 66 0.735 0.815 13.250 397 H LEU 67 H LEU 67 2.006 0.695 11.810 398 HA LEU 67 HA LEU 67 2.599 1.858 9.202 399 2HB LEU 67 2HB LEU 67 3.723 2.228 11.661 400 HG LEU 67 HG LEU 67 4.917 -0.142 10.973 401 1HD1 LEU 67 1HD1 LEU 67 6.060 1.781 9.231 402 2HD1 LEU 67 2HD1 LEU 67 7.286 1.382 10.458 403 3HD1 LEU 67 3HD1 LEU 67 6.545 0.087 9.487 404 1HD2 LEU 67 1HD2 LEU 67 4.950 1.278 13.120 405 2HD2 LEU 67 2HD2 LEU 67 6.356 0.245 12.768 406 3HD2 LEU 67 3HD2 LEU 67 6.437 1.996 12.455 407 H ARG 68 H ARG 68 2.024 -1.163 10.700 408 HA ARG 68 HA ARG 68 3.939 -2.733 9.519 409 2HB ARG 68 2HB ARG 68 2.302 -4.604 9.870 410 2HG ARG 68 2HG ARG 68 2.073 -2.598 12.154 411 2HD ARG 68 2HD ARG 68 1.570 -5.474 11.804 412 HE ARG 68 HE ARG 68 2.952 -5.219 14.323 413 1HH1 ARG 68 1HH1 ARG 68 3.552 -5.701 10.889 414 2HH1 ARG 68 2HH1 ARG 68 5.046 -6.540 11.137 415 1HH2 ARG 68 1HH2 ARG 68 4.923 -6.326 14.651 416 2HH2 ARG 68 2HH2 ARG 68 5.832 -6.898 13.292 417 H ARG 69 H ARG 69 0.755 -1.537 8.328 418 HA ARG 69 HA ARG 69 0.764 -3.108 6.021 419 2HB ARG 69 2HB ARG 69 -0.690 -0.621 5.625 420 2HG ARG 69 2HG ARG 69 -1.357 -2.886 4.784 421 2HD ARG 69 2HD ARG 69 -1.265 -3.471 7.692 422 HE ARG 69 HE ARG 69 -3.833 -3.611 6.503 423 1HH1 ARG 69 1HH1 ARG 69 -1.588 -5.771 8.139 424 2HH1 ARG 69 2HH1 ARG 69 -2.833 -6.800 8.763 425 1HH2 ARG 69 1HH2 ARG 69 -5.477 -4.969 7.326 426 2HH2 ARG 69 2HH2 ARG 69 -5.060 -6.341 8.298 427 H LEU 70 H LEU 70 1.456 0.426 6.586 428 HA LEU 70 HA LEU 70 2.124 1.159 4.061 429 2HB LEU 70 2HB LEU 70 1.920 2.671 5.952 430 HG LEU 70 HG LEU 70 3.276 1.358 7.629 431 1HD1 LEU 70 1HD1 LEU 70 5.339 1.812 5.654 432 2HD1 LEU 70 2HD1 LEU 70 5.823 2.461 7.239 433 3HD1 LEU 70 3HD1 LEU 70 5.342 0.754 7.086 434 1HD2 LEU 70 1HD2 LEU 70 2.583 3.834 7.758 435 2HD2 LEU 70 2HD2 LEU 70 3.856 3.254 8.858 436 3HD2 LEU 70 3HD2 LEU 70 4.292 4.186 7.406 437 H GLU 71 H GLU 71 3.995 -0.814 6.368 438 HA GLU 71 HA GLU 71 6.369 -0.657 4.845 439 2HB GLU 71 2HB GLU 71 5.666 -1.528 7.409 440 2HG GLU 71 2HG GLU 71 6.589 -3.868 5.679 441 H MET 72 H MET 72 3.490 -2.750 4.922 442 HA MET 72 HA MET 72 4.590 -4.885 3.520 443 2HB MET 72 2HB MET 72 1.851 -4.770 2.846 444 2HG MET 72 2HG MET 72 1.530 -6.278 4.806 445 1HE MET 72 1HE MET 72 4.392 -7.311 5.640 446 2HE MET 72 2HE MET 72 4.192 -8.919 4.903 447 3HE MET 72 3HE MET 72 5.470 -7.826 4.321 448 H TYR 73 H TYR 73 2.557 -2.086 2.394 449 HA TYR 73 HA TYR 73 2.694 -2.793 -0.323 450 2HB TYR 73 2HB TYR 73 2.524 0.077 0.644 451 HD1 TYR 73 HD1 TYR 73 2.530 -1.647 -2.084 452 HD2 TYR 73 HD2 TYR 73 -0.457 0.320 0.264 453 HE1 TYR 73 HE1 TYR 73 1.083 -1.357 -4.154 454 HE2 TYR 73 HE2 TYR 73 -1.894 0.603 -1.814 455 HH TYR 73 HH TYR 73 -0.824 0.470 -4.775 456 H CYS 74 H CYS 74 5.049 -1.444 1.840 457 HA CYS 74 HA CYS 74 6.610 0.257 1.081 458 2HB CYS 74 2HB CYS 74 8.252 -2.001 0.376 459 H ALA 75 H ALA 75 4.929 0.482 -1.036 460 HA ALA 75 HA ALA 75 6.024 -0.626 -3.429 461 1HB ALA 75 1HB ALA 75 3.695 0.931 -2.565 462 2HB ALA 75 2HB ALA 75 4.353 1.501 -4.117 463 3HB ALA 75 3HB ALA 75 3.866 -0.200 -3.928 464 HA PRO 76 HA PRO 76 8.943 2.467 -4.227 465 2HB PRO 76 2HB PRO 76 10.026 1.146 -5.770 466 2HG PRO 76 2HG PRO 76 8.732 -0.536 -6.675 467 2HD PRO 76 2HD PRO 76 7.170 -0.790 -5.008 468 H LEU 77 H LEU 77 8.258 4.467 -3.682 469 HA LEU 77 HA LEU 77 6.134 5.778 -4.575 470 2HB LEU 77 2HB LEU 77 7.951 6.503 -2.957 471 HG LEU 77 HG LEU 77 9.452 6.927 -5.350 472 1HD1 LEU 77 1HD1 LEU 77 8.227 9.375 -4.258 473 2HD1 LEU 77 2HD1 LEU 77 9.994 9.442 -4.455 474 3HD1 LEU 77 3HD1 LEU 77 8.957 9.058 -5.850 475 1HD2 LEU 77 1HD2 LEU 77 9.833 7.122 -2.409 476 2HD2 LEU 77 2HD2 LEU 77 10.747 6.210 -3.634 477 3HD2 LEU 77 3HD2 LEU 77 11.019 7.959 -3.440 478 H LYS 78 H LYS 78 5.608 7.287 -6.286 479 HA LYS 78 HA LYS 78 7.174 6.756 -8.715 480 2HB LYS 78 2HB LYS 78 4.205 7.334 -8.605 481 2HG LYS 78 2HG LYS 78 5.429 5.741 -10.789 482 2HD LYS 78 2HD LYS 78 3.050 7.014 -10.438 483 2HE LYS 78 2HE LYS 78 4.646 8.927 -12.194 484 1HZ LYS 78 1HZ LYS 78 1.934 8.816 -11.117 485 2HZ LYS 78 2HZ LYS 78 2.595 10.243 -11.553 486 3HZ LYS 78 3HZ LYS 78 2.409 9.058 -12.660 487 HA PRO 79 HA PRO 79 7.560 11.140 -8.007 488 2HB PRO 79 2HB PRO 79 9.726 11.076 -7.229 489 2HG PRO 79 2HG PRO 79 10.786 9.045 -7.497 490 2HD PRO 79 2HD PRO 79 8.965 7.644 -7.592 491 H ALA 80 H ALA 80 7.117 12.869 -9.308 492 HA ALA 80 HA ALA 80 7.812 12.694 -12.068 493 1HB ALA 80 1HB ALA 80 5.258 11.624 -11.170 494 2HB ALA 80 2HB ALA 80 5.018 13.013 -12.257 495 3HB ALA 80 3HB ALA 80 5.978 11.615 -12.798 496 H LYS 81 H LYS 81 5.725 14.148 -9.501 497 HA LYS 81 HA LYS 81 6.882 16.650 -9.706 498 2HB LYS 81 2HB LYS 81 4.401 16.327 -11.406 499 2HG LYS 81 2HG LYS 81 5.217 19.001 -11.503 500 2HD LYS 81 2HD LYS 81 3.104 18.884 -9.619 501 2HE LYS 81 2HE LYS 81 2.728 18.713 -12.633 502 1HZ LYS 81 1HZ LYS 81 1.303 19.788 -10.360 503 2HZ LYS 81 2HZ LYS 81 1.225 20.643 -11.749 504 3HZ LYS 81 3HZ LYS 81 0.722 19.090 -11.718 505 H SER 82 H SER 82 6.077 14.722 -7.740 506 HA SER 82 HA SER 82 3.861 14.726 -6.487 507 2HB SER 82 2HB SER 82 6.292 15.771 -4.980 508 HG SER 82 HG SER 82 3.948 14.281 -4.337 509 H ALA 83 H ALA 83 6.042 17.549 -5.739 510 HA ALA 83 HA ALA 83 3.938 19.087 -4.684 511 1HB ALA 83 1HB ALA 83 6.749 19.728 -5.646 512 2HB ALA 83 2HB ALA 83 5.684 20.931 -4.880 513 3HB ALA 83 3HB ALA 83 6.193 19.487 -3.973 Start of MODEL 2 1 H MET 1 H MET 1 2.857 14.325 -0.698 2 HA MET 1 HA MET 1 5.361 14.104 -0.762 3 2HB MET 1 2HB MET 1 4.091 12.640 -3.094 4 2HG MET 1 2HG MET 1 5.103 11.050 -0.855 5 1HE MET 1 1HE MET 1 3.890 9.660 -2.093 6 2HE MET 1 2HE MET 1 3.906 9.425 -3.858 7 3HE MET 1 3HE MET 1 4.980 8.455 -2.821 8 H PHE 2 H PHE 2 7.182 14.848 -1.778 9 HA PHE 2 HA PHE 2 8.516 15.680 -3.328 10 2HB PHE 2 2HB PHE 2 6.643 15.535 -5.627 11 HD1 PHE 2 HD1 PHE 2 9.481 13.882 -3.871 12 HD2 PHE 2 HD2 PHE 2 7.789 15.034 -7.588 13 HE1 PHE 2 HE1 PHE 2 11.587 13.184 -5.046 14 HE2 PHE 2 HE2 PHE 2 9.894 14.336 -8.762 15 HZ PHE 2 HZ PHE 2 11.768 13.420 -7.477 16 HA PRO 3 HA PRO 3 7.114 19.766 -3.707 17 2HB PRO 3 2HB PRO 3 9.218 20.598 -3.285 18 2HG PRO 3 2HG PRO 3 10.938 19.112 -3.675 19 2HD PRO 3 2HD PRO 3 9.814 17.119 -3.447 20 H ALA 4 H ALA 4 8.930 19.523 -6.699 21 HA ALA 4 HA ALA 4 7.627 20.903 -8.393 22 1HB ALA 4 1HB ALA 4 9.311 19.223 -9.026 23 2HB ALA 4 2HB ALA 4 8.105 17.927 -8.836 24 3HB ALA 4 3HB ALA 4 7.906 19.148 -10.116 25 H MET 5 H MET 5 6.286 17.562 -7.867 26 HA MET 5 HA MET 5 3.693 18.684 -8.532 27 2HB MET 5 2HB MET 5 3.067 16.246 -8.829 28 2HG MET 5 2HG MET 5 4.512 17.758 -10.567 29 1HE MET 5 1HE MET 5 5.324 14.109 -10.658 30 2HE MET 5 2HE MET 5 7.084 13.979 -10.428 31 3HE MET 5 3HE MET 5 6.023 14.271 -9.029 32 HA PRO 6 HA PRO 6 2.907 18.326 -4.202 33 2HB PRO 6 2HB PRO 6 2.320 20.541 -3.986 34 2HG PRO 6 2HG PRO 6 1.936 21.634 -5.981 35 2HD PRO 6 2HD PRO 6 3.181 20.330 -7.406 36 H LEU 7 H LEU 7 2.567 16.009 -5.027 37 HA LEU 7 HA LEU 7 -0.215 15.388 -5.375 38 2HB LEU 7 2HB LEU 7 1.657 14.255 -6.566 39 HG LEU 7 HG LEU 7 2.534 13.591 -3.883 40 1HD1 LEU 7 1HD1 LEU 7 1.487 11.365 -5.561 41 2HD1 LEU 7 2HD1 LEU 7 3.049 11.118 -4.744 42 3HD1 LEU 7 3HD1 LEU 7 1.600 11.523 -3.791 43 1HD2 LEU 7 1HD2 LEU 7 3.902 14.480 -5.782 44 2HD2 LEU 7 2HD2 LEU 7 4.583 13.042 -4.984 45 3HD2 LEU 7 3HD2 LEU 7 3.765 12.882 -6.556 46 H SER 8 H SER 8 -0.390 16.712 -3.134 47 HA SER 8 HA SER 8 -1.060 14.696 -1.265 48 2HB SER 8 2HB SER 8 0.996 14.706 -0.248 49 HG SER 8 HG SER 8 2.191 15.974 -1.658 50 H SER 9 H SER 9 -2.840 16.241 -2.489 51 HA SER 9 HA SER 9 -3.623 18.067 -0.401 52 2HB SER 9 2HB SER 9 -4.336 19.460 -2.739 53 HG SER 9 HG SER 9 -3.419 21.009 -1.590 54 H LEU 10 H LEU 10 -5.981 18.597 -0.529 55 HA LEU 10 HA LEU 10 -8.096 18.273 -1.250 56 2HB LEU 10 2HB LEU 10 -7.361 15.955 -2.988 57 HG LEU 10 HG LEU 10 -9.643 17.705 -2.723 58 1HD1 LEU 10 1HD1 LEU 10 -8.236 18.880 -4.564 59 2HD1 LEU 10 2HD1 LEU 10 -8.746 17.513 -5.584 60 3HD1 LEU 10 3HD1 LEU 10 -9.967 18.575 -4.842 61 1HD2 LEU 10 1HD2 LEU 10 -9.373 15.123 -3.031 62 2HD2 LEU 10 2HD2 LEU 10 -10.778 15.968 -3.722 63 3HD2 LEU 10 3HD2 LEU 10 -9.406 15.522 -4.765 64 H PHE 11 H PHE 11 -5.913 16.366 0.378 65 HA PHE 11 HA PHE 11 -7.928 15.187 1.949 66 2HB PHE 11 2HB PHE 11 -6.191 13.074 0.704 67 HD1 PHE 11 HD1 PHE 11 -8.275 13.595 3.092 68 HD2 PHE 11 HD2 PHE 11 -8.416 11.604 -0.652 69 HE1 PHE 11 HE1 PHE 11 -10.085 12.090 3.961 70 HE2 PHE 11 HE2 PHE 11 -10.227 10.098 0.218 71 HZ PHE 11 HZ PHE 11 -11.039 10.359 2.514 72 H VAL 12 H VAL 12 -4.700 16.029 1.100 73 HA VAL 12 HA VAL 12 -3.664 14.768 3.536 74 HB VAL 12 HB VAL 12 -2.506 15.580 0.912 75 1HG1 VAL 12 1HG1 VAL 12 -1.155 15.916 3.554 76 2HG1 VAL 12 2HG1 VAL 12 -0.209 15.194 2.230 77 3HG1 VAL 12 3HG1 VAL 12 -0.934 16.807 2.028 78 1HG2 VAL 12 1HG2 VAL 12 -3.095 13.172 2.124 79 2HG2 VAL 12 2HG2 VAL 12 -1.987 13.400 0.749 80 3HG2 VAL 12 3HG2 VAL 12 -1.345 13.333 2.408 81 H ASN 13 H ASN 13 -4.077 16.114 5.241 82 HA ASN 13 HA ASN 13 -3.806 18.949 4.782 83 2HB ASN 13 2HB ASN 13 -4.375 18.036 7.551 84 1HD2 ASN 13 2HD2 ASN 13 -5.727 19.437 8.534 85 2HD2 ASN 13 1HD2 ASN 13 -6.398 20.853 7.797 86 H GLY 14 H GLY 14 -2.184 16.152 6.203 87 1HA GLY 14 1HA GLY 14 0.264 16.607 6.453 88 2HA GLY 14 2HA GLY 14 -0.207 17.916 7.519 89 HA PRO 15 HA PRO 15 -0.369 15.066 10.784 90 2HB PRO 15 2HB PRO 15 -0.317 16.744 12.361 91 2HG PRO 15 2HG PRO 15 -1.059 18.794 11.609 92 2HD PRO 15 2HD PRO 15 -0.687 18.562 9.352 93 H ARG 16 H ARG 16 -2.364 14.437 12.629 94 HA ARG 16 HA ARG 16 -3.781 12.639 10.987 95 2HB ARG 16 2HB ARG 16 -3.214 11.810 13.149 96 2HG ARG 16 2HG ARG 16 -4.556 13.449 15.034 97 2HD ARG 16 2HD ARG 16 -2.385 12.225 15.350 98 HE ARG 16 HE ARG 16 -0.988 14.439 13.922 99 1HH1 ARG 16 1HH1 ARG 16 -1.780 11.019 14.159 100 2HH1 ARG 16 2HH1 ARG 16 -0.560 10.527 13.031 101 1HH2 ARG 16 1HH2 ARG 16 0.621 13.792 12.434 102 2HH2 ARG 16 2HH2 ARG 16 0.814 12.116 12.044 103 H THR 17 H THR 17 -4.550 14.950 9.874 104 HA THR 17 HA THR 17 -7.067 15.756 11.151 105 HB THR 17 HB THR 17 -5.537 17.043 8.834 106 HG1 THR 17 HG1 THR 17 -4.233 16.993 10.766 107 1HG2 THR 17 1HG2 THR 17 -7.988 17.679 10.371 108 2HG2 THR 17 2HG2 THR 17 -6.780 18.983 10.430 109 3HG2 THR 17 3HG2 THR 17 -7.389 18.404 8.860 110 H LEU 18 H LEU 18 -6.041 15.552 7.692 111 HA LEU 18 HA LEU 18 -8.661 14.660 6.996 112 2HB LEU 18 2HB LEU 18 -7.634 14.524 4.708 113 HG LEU 18 HG LEU 18 -7.463 17.089 6.282 114 1HD1 LEU 18 1HD1 LEU 18 -5.918 16.600 4.011 115 2HD1 LEU 18 2HD1 LEU 18 -7.333 17.500 3.413 116 3HD1 LEU 18 3HD1 LEU 18 -6.328 18.182 4.716 117 1HD2 LEU 18 1HD2 LEU 18 -9.524 15.681 4.879 118 2HD2 LEU 18 2HD2 LEU 18 -9.623 17.202 5.797 119 3HD2 LEU 18 3HD2 LEU 18 -9.222 17.233 4.064 120 H CYS 19 H CYS 19 -6.578 12.973 4.985 121 HA CYS 19 HA CYS 19 -7.298 10.506 6.319 122 2HB CYS 19 2HB CYS 19 -5.834 10.185 3.842 123 H GLY 20 H GLY 20 -5.113 12.538 7.177 124 1HA GLY 20 1HA GLY 20 -3.116 12.359 8.206 125 2HA GLY 20 2HA GLY 20 -3.166 10.626 7.958 126 H ALA 21 H ALA 21 -1.161 13.074 7.449 127 HA ALA 21 HA ALA 21 -0.593 12.579 4.641 128 1HB ALA 21 1HB ALA 21 -0.581 14.868 5.958 129 2HB ALA 21 2HB ALA 21 1.045 14.341 6.456 130 3HB ALA 21 3HB ALA 21 0.664 14.538 4.729 131 H GLU 22 H GLU 22 -0.038 11.010 7.524 132 HA GLU 22 HA GLU 22 2.737 10.532 7.230 133 2HB GLU 22 2HB GLU 22 0.846 8.761 8.803 134 2HG GLU 22 2HG GLU 22 3.741 9.594 8.904 135 H LEU 23 H LEU 23 -0.257 8.524 6.734 136 HA LEU 23 HA LEU 23 0.608 6.194 5.944 137 2HB LEU 23 2HB LEU 23 -1.137 6.253 4.113 138 HG LEU 23 HG LEU 23 -1.898 7.210 6.881 139 1HD1 LEU 23 1HD1 LEU 23 -3.499 7.485 4.648 140 2HD1 LEU 23 2HD1 LEU 23 -4.020 5.926 5.332 141 3HD1 LEU 23 3HD1 LEU 23 -4.054 7.396 6.337 142 1HD2 LEU 23 1HD2 LEU 23 -1.748 4.513 5.544 143 2HD2 LEU 23 2HD2 LEU 23 -1.013 5.057 7.071 144 3HD2 LEU 23 3HD2 LEU 23 -2.771 4.795 6.972 145 H VAL 24 H VAL 24 0.963 9.180 3.947 146 HA VAL 24 HA VAL 24 2.315 7.751 1.870 147 HB VAL 24 HB VAL 24 1.172 9.550 1.055 148 1HG1 VAL 24 1HG1 VAL 24 1.840 10.843 3.667 149 2HG1 VAL 24 2HG1 VAL 24 1.515 11.898 2.271 150 3HG1 VAL 24 3HG1 VAL 24 0.285 10.728 2.808 151 1HG2 VAL 24 1HG2 VAL 24 3.880 9.665 0.818 152 2HG2 VAL 24 2HG2 VAL 24 2.752 10.754 -0.027 153 3HG2 VAL 24 3HG2 VAL 24 3.538 11.281 1.482 154 H ASP 25 H ASP 25 3.224 9.961 4.584 155 HA ASP 25 HA ASP 25 5.925 10.000 3.934 156 2HB ASP 25 2HB ASP 25 5.052 10.178 6.810 157 H ALA 26 H ALA 26 3.807 7.663 5.496 158 HA ALA 26 HA ALA 26 5.710 6.345 7.096 159 1HB ALA 26 1HB ALA 26 3.004 6.270 6.803 160 2HB ALA 26 2HB ALA 26 3.459 4.791 5.924 161 3HB ALA 26 3HB ALA 26 3.943 5.001 7.624 162 H LEU 27 H LEU 27 4.261 5.405 3.890 163 HA LEU 27 HA LEU 27 6.124 3.352 3.468 164 2HB LEU 27 2HB LEU 27 5.177 3.179 1.302 165 HG LEU 27 HG LEU 27 3.446 3.399 3.558 166 1HD1 LEU 27 1HD1 LEU 27 2.693 5.419 1.987 167 2HD1 LEU 27 2HD1 LEU 27 1.822 4.103 1.163 168 3HD1 LEU 27 3HD1 LEU 27 1.529 4.419 2.889 169 1HD2 LEU 27 1HD2 LEU 27 3.925 1.361 2.282 170 2HD2 LEU 27 2HD2 LEU 27 2.177 1.673 2.396 171 3HD2 LEU 27 3HD2 LEU 27 3.047 2.028 0.885 172 H GLN 28 H GLN 28 6.337 6.814 3.245 173 HA GLN 28 HA GLN 28 8.522 6.668 1.374 174 2HB GLN 28 2HB GLN 28 8.087 9.284 2.621 175 2HG GLN 28 2HG GLN 28 7.210 8.848 -0.169 176 1HE2 GLN 28 2HE2 GLN 28 7.483 10.684 -1.211 177 2HE2 GLN 28 1HE2 GLN 28 8.439 12.034 -0.698 178 H PHE 29 H PHE 29 8.050 6.240 4.697 179 HA PHE 29 HA PHE 29 10.658 7.370 5.373 180 2HB PHE 29 2HB PHE 29 8.048 6.745 6.698 181 HD1 PHE 29 HD1 PHE 29 11.429 7.173 8.223 182 HD2 PHE 29 HD2 PHE 29 7.785 4.998 8.188 183 HE1 PHE 29 HE1 PHE 29 12.186 5.873 10.231 184 HE2 PHE 29 HE2 PHE 29 8.543 3.697 10.196 185 HZ PHE 29 HZ PHE 29 10.734 4.151 11.194 186 H VAL 30 H VAL 30 8.697 4.332 5.548 187 HA VAL 30 HA VAL 30 11.122 2.888 6.290 188 HB VAL 30 HB VAL 30 8.191 2.460 6.522 189 1HG1 VAL 30 1HG1 VAL 30 8.902 0.523 5.169 190 2HG1 VAL 30 2HG1 VAL 30 10.148 0.141 6.381 191 3HG1 VAL 30 3HG1 VAL 30 8.425 0.045 6.816 192 1HG2 VAL 30 1HG2 VAL 30 10.251 3.004 8.275 193 2HG2 VAL 30 2HG2 VAL 30 8.649 2.369 8.720 194 3HG2 VAL 30 3HG2 VAL 30 10.015 1.252 8.483 195 H CYS 31 H CYS 31 8.645 3.225 3.715 196 HA CYS 31 HA CYS 31 9.683 1.068 2.194 197 2HB CYS 31 2HB CYS 31 8.218 3.021 0.636 198 H GLY 32 H GLY 32 10.357 4.517 2.634 199 1HA GLY 32 1HA GLY 32 12.618 5.182 2.014 200 2HA GLY 32 2HA GLY 32 12.387 4.354 0.486 201 H ASP 33 H ASP 33 12.580 7.366 1.740 202 HA ASP 33 HA ASP 33 10.618 8.938 1.318 203 2HB ASP 33 2HB ASP 33 12.395 10.207 -0.398 204 H ARG 34 H ARG 34 12.007 6.825 -1.171 205 HA ARG 34 HA ARG 34 11.265 7.953 -3.471 206 2HB ARG 34 2HB ARG 34 10.916 5.574 -4.322 207 2HG ARG 34 2HG ARG 34 13.273 5.633 -2.409 208 2HD ARG 34 2HD ARG 34 14.188 4.965 -4.918 209 HE ARG 34 HE ARG 34 13.118 2.685 -3.444 210 1HH1 ARG 34 1HH1 ARG 34 15.564 5.215 -3.395 211 2HH1 ARG 34 2HH1 ARG 34 16.635 4.337 -2.355 212 1HH2 ARG 34 1HH2 ARG 34 14.530 1.527 -2.071 213 2HH2 ARG 34 2HH2 ARG 34 16.043 2.225 -1.597 214 H GLY 35 H GLY 35 9.179 6.806 -0.899 215 1HA GLY 35 1HA GLY 35 6.949 6.962 -0.617 216 2HA GLY 35 2HA GLY 35 6.851 7.883 -2.105 217 H PHE 36 H PHE 36 5.249 5.512 -0.896 218 HA PHE 36 HA PHE 36 5.645 3.588 -3.059 219 2HB PHE 36 2HB PHE 36 4.401 3.678 -0.284 220 HD1 PHE 36 HD1 PHE 36 2.003 3.497 -0.842 221 HD2 PHE 36 HD2 PHE 36 4.794 0.555 -2.093 222 HE1 PHE 36 HE1 PHE 36 0.118 1.903 -1.301 223 HE2 PHE 36 HE2 PHE 36 2.910 -1.037 -2.551 224 HZ PHE 36 HZ PHE 36 0.594 -0.344 -2.150 225 H TYR 37 H TYR 37 3.574 2.608 -3.992 226 HA TYR 37 HA TYR 37 1.912 4.777 -4.877 227 2HB TYR 37 2HB TYR 37 0.909 2.273 -5.756 228 HD1 TYR 37 HD1 TYR 37 1.167 5.149 -6.694 229 HD2 TYR 37 HD2 TYR 37 3.386 1.629 -7.690 230 HE1 TYR 37 HE1 TYR 37 1.745 6.145 -8.961 231 HE2 TYR 37 HE2 TYR 37 3.957 2.638 -9.953 232 HH TYR 37 HH TYR 37 2.404 4.863 -11.375 233 H PHE 38 H PHE 38 0.809 5.406 -2.906 234 HA PHE 38 HA PHE 38 -0.427 4.049 -1.053 235 2HB PHE 38 2HB PHE 38 -2.477 5.770 -2.011 236 HD1 PHE 38 HD1 PHE 38 0.108 4.944 0.159 237 HD2 PHE 38 HD2 PHE 38 -2.212 8.275 -1.082 238 HE1 PHE 38 HE1 PHE 38 0.624 6.110 2.321 239 HE2 PHE 38 HE2 PHE 38 -1.695 9.440 1.080 240 HZ PHE 38 HZ PHE 38 -0.283 8.345 2.756 241 H ASN 39 H ASN 39 -2.715 4.998 -3.652 242 HA ASN 39 HA ASN 39 -3.870 2.352 -3.375 243 2HB ASN 39 2HB ASN 39 -5.225 4.560 -4.929 244 1HD2 ASN 39 2HD2 ASN 39 -7.426 4.669 -3.256 245 2HD2 ASN 39 1HD2 ASN 39 -8.250 3.145 -3.247 246 H LYS 40 H LYS 40 -5.416 2.923 -5.984 247 HA LYS 40 HA LYS 40 -3.577 1.679 -7.738 248 2HB LYS 40 2HB LYS 40 -6.132 1.437 -7.623 249 2HG LYS 40 2HG LYS 40 -5.981 4.195 -8.325 250 2HD LYS 40 2HD LYS 40 -7.201 2.520 -10.568 251 2HE LYS 40 2HE LYS 40 -6.898 5.055 -11.536 252 1HZ LYS 40 1HZ LYS 40 -9.062 3.686 -10.193 253 2HZ LYS 40 2HZ LYS 40 -9.273 5.276 -10.506 254 3HZ LYS 40 3HZ LYS 40 -8.973 4.235 -11.728 255 HA PRO 41 HA PRO 41 -1.853 5.109 -9.708 256 2HB PRO 41 2HB PRO 41 -0.436 3.802 -10.967 257 2HG PRO 41 2HG PRO 41 -1.174 1.644 -11.319 258 2HD PRO 41 2HD PRO 41 -2.573 1.393 -9.512 259 H THR 42 H THR 42 -3.787 6.396 -9.235 260 HA THR 42 HA THR 42 -5.931 6.677 -10.826 261 HB THR 42 HB THR 42 -4.398 9.121 -9.864 262 HG1 THR 42 HG1 THR 42 -5.004 8.382 -7.718 263 1HG2 THR 42 1HG2 THR 42 -7.293 8.165 -9.901 264 2HG2 THR 42 2HG2 THR 42 -6.762 9.443 -8.782 265 3HG2 THR 42 3HG2 THR 42 -6.629 9.688 -10.540 266 H GLY 43 H GLY 43 -6.443 8.576 -12.385 267 1HA GLY 43 1HA GLY 43 -5.569 8.147 -14.840 268 2HA GLY 43 2HA GLY 43 -5.954 9.760 -14.276 269 H TYR 44 H TYR 44 -3.376 7.472 -15.072 270 HA TYR 44 HA TYR 44 -1.540 9.669 -15.365 271 2HB TYR 44 2HB TYR 44 -0.708 7.271 -13.670 272 HD1 TYR 44 HD1 TYR 44 -0.704 10.964 -13.076 273 HD2 TYR 44 HD2 TYR 44 1.623 7.461 -13.862 274 HE1 TYR 44 HE1 TYR 44 1.433 12.293 -12.710 275 HE2 TYR 44 HE2 TYR 44 3.751 8.802 -13.494 276 HH TYR 44 HH TYR 44 3.810 12.122 -13.476 277 H GLY 45 H GLY 45 -0.051 9.256 -16.979 278 1HA GLY 45 1HA GLY 45 -0.393 7.454 -18.910 279 2HA GLY 45 2HA GLY 45 1.191 8.045 -18.449 280 H SER 46 H SER 46 0.982 6.790 -15.687 281 HA SER 46 HA SER 46 1.861 4.193 -16.552 282 2HB SER 46 2HB SER 46 1.868 5.374 -13.741 283 HG SER 46 HG SER 46 3.872 3.904 -13.762 284 H SER 47 H SER 47 -0.480 3.651 -17.173 285 HA SER 47 HA SER 47 -2.346 3.391 -15.077 286 2HB SER 47 2HB SER 47 -2.558 1.840 -17.659 287 HG SER 47 HG SER 47 -4.725 2.302 -17.431 288 H SER 48 H SER 48 -0.805 2.170 -13.591 289 HA SER 48 HA SER 48 -0.169 -0.491 -14.362 290 2HB SER 48 2HB SER 48 1.334 -0.299 -12.687 291 HG SER 48 HG SER 48 1.381 1.800 -11.509 292 H ARG 49 H ARG 49 -1.556 -2.215 -14.221 293 HA ARG 49 HA ARG 49 -4.088 -2.171 -13.616 294 2HB ARG 49 2HB ARG 49 -3.404 -4.644 -12.506 295 2HG ARG 49 2HG ARG 49 -3.657 -5.523 -14.804 296 2HD ARG 49 2HD ARG 49 -5.530 -3.859 -13.469 297 HE ARG 49 HE ARG 49 -6.047 -2.228 -15.044 298 1HH1 ARG 49 1HH1 ARG 49 -4.765 -5.031 -16.743 299 2HH1 ARG 49 2HH1 ARG 49 -4.941 -4.320 -18.313 300 1HH2 ARG 49 1HH2 ARG 49 -6.280 -1.291 -17.114 301 2HH2 ARG 49 2HH2 ARG 49 -5.810 -2.178 -18.525 302 H ARG 50 H ARG 50 -5.172 -1.292 -11.876 303 HA ARG 50 HA ARG 50 -4.268 -0.539 -9.557 304 2HB ARG 50 2HB ARG 50 -6.578 -0.141 -10.026 305 2HG ARG 50 2HG ARG 50 -7.057 -3.154 -9.919 306 2HD ARG 50 2HD ARG 50 -8.865 -1.005 -11.084 307 HE ARG 50 HE ARG 50 -9.075 -3.739 -11.160 308 1HH1 ARG 50 1HH1 ARG 50 -10.911 -1.277 -9.444 309 2HH1 ARG 50 2HH1 ARG 50 -12.381 -2.193 -9.440 310 1HH2 ARG 50 1HH2 ARG 50 -11.014 -4.949 -11.155 311 2HH2 ARG 50 2HH2 ARG 50 -12.440 -4.296 -10.419 312 H ALA 51 H ALA 51 -2.943 -1.548 -8.075 313 HA ALA 51 HA ALA 51 -3.747 -4.216 -7.182 314 1HB ALA 51 1HB ALA 51 -1.085 -3.340 -8.309 315 2HB ALA 51 2HB ALA 51 -1.159 -4.630 -7.085 316 3HB ALA 51 3HB ALA 51 -2.014 -4.823 -8.635 317 H CYS 52 H CYS 52 -4.014 -1.336 -6.220 318 HA CYS 52 HA CYS 52 -2.647 -1.782 -3.671 319 2HB CYS 52 2HB CYS 52 -2.669 0.861 -3.610 320 HG CYS 52 HG CYS 52 -0.702 -1.215 -3.605 321 H GLN 53 H GLN 53 -5.358 -2.524 -4.692 322 HA GLN 53 HA GLN 53 -7.337 -0.806 -4.151 323 2HB GLN 53 2HB GLN 53 -7.165 -3.497 -4.679 324 2HG GLN 53 2HG GLN 53 -8.659 -3.299 -2.035 325 1HE2 GLN 53 2HE2 GLN 53 -10.262 -4.579 -2.911 326 2HE2 GLN 53 1HE2 GLN 53 -10.033 -6.245 -3.325 327 H THR 54 H THR 54 -5.016 -2.110 -1.891 328 HA THR 54 HA THR 54 -6.659 -1.653 0.437 329 HB THR 54 HB THR 54 -3.670 -2.038 0.544 330 HG1 THR 54 HG1 THR 54 -4.327 -4.389 0.052 331 1HG2 THR 54 1HG2 THR 54 -6.093 -3.368 1.865 332 2HG2 THR 54 2HG2 THR 54 -4.403 -3.849 2.156 333 3HG2 THR 54 3HG2 THR 54 -4.963 -2.230 2.639 334 H GLY 55 H GLY 55 -6.425 0.627 -1.354 335 1HA GLY 55 1HA GLY 55 -4.856 2.611 -1.189 336 2HA GLY 55 2HA GLY 55 -6.490 2.853 -0.602 337 H ILE 56 H ILE 56 -3.091 2.320 0.316 338 HA ILE 56 HA ILE 56 -3.312 2.014 3.023 339 HB ILE 56 HB ILE 56 -1.304 2.478 1.148 340 2HG1 ILE 56 2HG1 ILE 56 -1.031 2.071 4.141 341 1HG2 ILE 56 1HG2 ILE 56 -1.608 4.931 1.949 342 2HG2 ILE 56 2HG2 ILE 56 -0.778 4.374 3.421 343 3HG2 ILE 56 3HG2 ILE 56 0.029 4.241 1.840 344 1HD1 ILE 56 1HD1 ILE 56 -1.740 0.236 1.840 345 2HD1 ILE 56 2HD1 ILE 56 -0.799 -0.389 3.216 346 3HD1 ILE 56 3HD1 ILE 56 -2.423 0.291 3.483 347 H VAL 57 H VAL 57 -4.665 4.494 1.198 348 HA VAL 57 HA VAL 57 -4.502 6.361 3.460 349 HB VAL 57 HB VAL 57 -5.609 7.623 1.201 350 1HG1 VAL 57 1HG1 VAL 57 -2.828 7.774 2.414 351 2HG1 VAL 57 2HG1 VAL 57 -3.532 8.970 1.299 352 3HG1 VAL 57 3HG1 VAL 57 -4.258 8.716 2.904 353 1HG2 VAL 57 1HG2 VAL 57 -4.753 5.819 -0.209 354 2HG2 VAL 57 2HG2 VAL 57 -3.852 7.325 -0.503 355 3HG2 VAL 57 3HG2 VAL 57 -3.124 6.031 0.479 356 H ASP 58 H ASP 58 -6.633 4.639 1.137 357 HA ASP 58 HA ASP 58 -8.930 5.698 2.519 358 2HB ASP 58 2HB ASP 58 -10.184 4.337 0.758 359 H GLU 59 H GLU 59 -7.116 2.651 1.867 360 HA GLU 59 HA GLU 59 -9.010 1.079 3.309 361 2HB GLU 59 2HB GLU 59 -6.248 0.094 2.593 362 2HG GLU 59 2HG GLU 59 -8.138 -1.684 1.646 363 H CYS 60 H CYS 60 -6.151 2.974 3.995 364 HA CYS 60 HA CYS 60 -5.627 1.545 6.454 365 2HB CYS 60 2HB CYS 60 -4.249 4.103 5.842 366 H CYS 61 H CYS 61 -6.931 4.661 5.195 367 HA CYS 61 HA CYS 61 -7.177 5.988 7.598 368 2HB CYS 61 2HB CYS 61 -9.303 6.940 6.233 369 H PHE 62 H PHE 62 -9.199 3.496 5.987 370 HA PHE 62 HA PHE 62 -11.319 3.741 7.888 371 2HB PHE 62 2HB PHE 62 -10.733 1.325 6.123 372 HD1 PHE 62 HD1 PHE 62 -12.425 0.322 7.710 373 HD2 PHE 62 HD2 PHE 62 -13.348 3.594 5.170 374 HE1 PHE 62 HE1 PHE 62 -14.874 -0.150 7.994 375 HE2 PHE 62 HE2 PHE 62 -15.796 3.122 5.454 376 HZ PHE 62 HZ PHE 62 -16.530 1.256 6.862 377 H ARG 63 H ARG 63 -8.488 1.584 7.349 378 HA ARG 63 HA ARG 63 -9.241 0.199 9.786 379 2HB ARG 63 2HB ARG 63 -7.047 -0.633 7.835 380 2HG ARG 63 2HG ARG 63 -8.844 -2.298 9.656 381 2HD ARG 63 2HD ARG 63 -6.164 -2.966 8.351 382 HE ARG 63 HE ARG 63 -7.969 -5.087 9.235 383 1HH1 ARG 63 1HH1 ARG 63 -5.420 -2.890 10.267 384 2HH1 ARG 63 2HH1 ARG 63 -4.919 -3.890 11.590 385 1HH2 ARG 63 1HH2 ARG 63 -7.309 -6.405 10.980 386 2HH2 ARG 63 2HH2 ARG 63 -6.001 -5.903 11.998 387 H SER 64 H SER 64 -8.429 1.671 11.367 388 HA SER 64 HA SER 64 -6.324 3.220 11.364 389 2HB SER 64 2HB SER 64 -6.089 2.808 13.818 390 HG SER 64 HG SER 64 -8.046 3.635 14.229 391 H CYS 65 H CYS 65 -4.490 2.626 10.148 392 HA CYS 65 HA CYS 65 -2.883 0.527 11.384 393 2HB CYS 65 2HB CYS 65 -3.732 -0.630 9.535 394 H ASP 66 H ASP 66 -1.507 2.064 12.378 395 HA ASP 66 HA ASP 66 -0.751 4.449 11.428 396 2HB ASP 66 2HB ASP 66 1.487 3.944 12.687 397 H LEU 67 H LEU 67 2.131 2.473 11.653 398 HA LEU 67 HA LEU 67 2.689 2.999 8.842 399 2HB LEU 67 2HB LEU 67 5.023 2.265 9.599 400 HG LEU 67 HG LEU 67 3.860 4.773 9.660 401 1HD1 LEU 67 1HD1 LEU 67 4.147 3.997 12.365 402 2HD1 LEU 67 2HD1 LEU 67 5.433 5.181 12.027 403 3HD1 LEU 67 3HD1 LEU 67 3.733 5.601 11.712 404 1HD2 LEU 67 1HD2 LEU 67 6.562 3.622 9.658 405 2HD2 LEU 67 2HD2 LEU 67 5.852 4.908 8.651 406 3HD2 LEU 67 3HD2 LEU 67 6.482 5.292 10.271 407 H ARG 68 H ARG 68 1.915 0.429 11.118 408 HA ARG 68 HA ARG 68 3.012 -1.750 10.179 409 2HB ARG 68 2HB ARG 68 0.756 -2.919 10.590 410 2HG ARG 68 2HG ARG 68 1.227 -0.889 12.782 411 2HD ARG 68 2HD ARG 68 -0.080 -3.393 12.578 412 HE ARG 68 HE ARG 68 2.660 -3.846 13.356 413 1HH1 ARG 68 1HH1 ARG 68 -0.634 -4.718 14.237 414 2HH1 ARG 68 2HH1 ARG 68 -0.180 -6.235 14.939 415 1HH2 ARG 68 1HH2 ARG 68 3.259 -5.848 14.283 416 2HH2 ARG 68 2HH2 ARG 68 2.049 -6.882 14.966 417 H ARG 69 H ARG 69 0.324 0.052 8.578 418 HA ARG 69 HA ARG 69 -0.054 -1.833 6.562 419 2HB ARG 69 2HB ARG 69 -0.648 0.976 5.819 420 2HG ARG 69 2HG ARG 69 -1.770 -1.017 4.811 421 2HD ARG 69 2HD ARG 69 -2.736 -1.402 7.679 422 HE ARG 69 HE ARG 69 -4.734 -1.898 6.505 423 1HH1 ARG 69 1HH1 ARG 69 -1.976 -3.460 4.978 424 2HH1 ARG 69 2HH1 ARG 69 -2.949 -4.476 3.967 425 1HH2 ARG 69 1HH2 ARG 69 -6.019 -3.236 5.173 426 2HH2 ARG 69 2HH2 ARG 69 -5.264 -4.348 4.079 427 H LEU 70 H LEU 70 1.845 1.245 6.787 428 HA LEU 70 HA LEU 70 2.674 1.569 4.245 429 2HB LEU 70 2HB LEU 70 3.307 2.619 6.676 430 HG LEU 70 HG LEU 70 5.218 0.900 6.841 431 1HD1 LEU 70 1HD1 LEU 70 5.750 1.568 4.279 432 2HD1 LEU 70 2HD1 LEU 70 6.871 2.659 5.127 433 3HD1 LEU 70 3HD1 LEU 70 6.958 0.904 5.406 434 1HD2 LEU 70 1HD2 LEU 70 4.902 3.308 7.922 435 2HD2 LEU 70 2HD2 LEU 70 6.383 2.349 8.154 436 3HD2 LEU 70 3HD2 LEU 70 6.348 3.656 6.946 437 H GLU 71 H GLU 71 3.817 -0.882 6.607 438 HA GLU 71 HA GLU 71 5.800 -1.808 4.778 439 2HB GLU 71 2HB GLU 71 5.845 -3.732 6.607 440 2HG GLU 71 2HG GLU 71 6.588 -0.831 7.217 441 H MET 72 H MET 72 2.440 -2.537 5.645 442 HA MET 72 HA MET 72 2.324 -5.128 4.703 443 2HB MET 72 2HB MET 72 -0.197 -4.181 4.197 444 2HG MET 72 2HG MET 72 -0.108 -4.088 7.011 445 1HE MET 72 1HE MET 72 1.246 -7.132 6.224 446 2HE MET 72 2HE MET 72 -0.064 -7.931 7.127 447 3HE MET 72 3HE MET 72 0.091 -8.185 5.371 448 H TYR 73 H TYR 73 1.674 -1.980 3.020 449 HA TYR 73 HA TYR 73 1.463 -3.429 0.496 450 2HB TYR 73 2HB TYR 73 1.277 -0.532 0.326 451 HD1 TYR 73 HD1 TYR 73 -0.387 -3.804 0.539 452 HD2 TYR 73 HD2 TYR 73 -0.797 0.273 -0.691 453 HE1 TYR 73 HE1 TYR 73 -2.447 -4.414 -0.818 454 HE2 TYR 73 HE2 TYR 73 -2.857 -0.351 -2.045 455 HH TYR 73 HH TYR 73 -3.905 -3.730 -2.279 456 H CYS 74 H CYS 74 3.791 -1.785 2.435 457 HA CYS 74 HA CYS 74 5.285 -0.254 0.906 458 2HB CYS 74 2HB CYS 74 7.005 -2.288 2.075 459 H ALA 75 H ALA 75 4.086 -1.627 -1.119 460 HA ALA 75 HA ALA 75 5.742 -3.751 -2.091 461 1HB ALA 75 1HB ALA 75 3.165 -3.191 -2.428 462 2HB ALA 75 2HB ALA 75 3.784 -2.245 -3.804 463 3HB ALA 75 3HB ALA 75 4.103 -3.994 -3.709 464 HA PRO 76 HA PRO 76 8.508 -1.377 -4.416 465 2HB PRO 76 2HB PRO 76 9.756 -3.221 -4.999 466 2HG PRO 76 2HG PRO 76 8.599 -5.217 -4.960 467 2HD PRO 76 2HD PRO 76 6.925 -4.690 -3.475 468 H LEU 77 H LEU 77 6.485 0.089 -4.615 469 HA LEU 77 HA LEU 77 4.930 0.268 -6.753 470 2HB LEU 77 2HB LEU 77 5.176 1.854 -4.808 471 HG LEU 77 HG LEU 77 6.364 3.906 -5.080 472 1HD1 LEU 77 1HD1 LEU 77 7.556 1.857 -4.135 473 2HD1 LEU 77 2HD1 LEU 77 8.433 1.795 -5.683 474 3HD1 LEU 77 3HD1 LEU 77 8.569 3.231 -4.640 475 1HD2 LEU 77 1HD2 LEU 77 6.363 3.278 -7.812 476 2HD2 LEU 77 2HD2 LEU 77 7.038 4.727 -7.029 477 3HD2 LEU 77 3HD2 LEU 77 8.077 3.314 -7.332 478 H LYS 78 H LYS 78 5.041 0.544 -8.942 479 HA LYS 78 HA LYS 78 7.221 -0.053 -10.375 480 2HB LYS 78 2HB LYS 78 5.255 2.027 -11.341 481 2HG LYS 78 2HG LYS 78 5.455 0.251 -13.324 482 2HD LYS 78 2HD LYS 78 7.595 2.312 -12.616 483 2HE LYS 78 2HE LYS 78 7.025 0.791 -15.195 484 1HZ LYS 78 1HZ LYS 78 7.223 3.256 -15.450 485 2HZ LYS 78 2HZ LYS 78 8.763 3.132 -14.923 486 3HZ LYS 78 3HZ LYS 78 8.306 2.372 -16.294 487 HA PRO 79 HA PRO 79 9.739 3.434 -9.356 488 2HB PRO 79 2HB PRO 79 11.315 2.191 -8.228 489 2HG PRO 79 2HG PRO 79 11.130 -0.090 -8.516 490 2HD PRO 79 2HD PRO 79 8.904 -0.253 -9.067 491 H ALA 80 H ALA 80 10.297 5.140 -10.577 492 HA ALA 80 HA ALA 80 11.519 4.654 -13.108 493 1HB ALA 80 1HB ALA 80 8.828 4.347 -13.208 494 2HB ALA 80 2HB ALA 80 8.935 6.110 -13.423 495 3HB ALA 80 3HB ALA 80 9.780 5.023 -14.550 496 H LYS 81 H LYS 81 11.092 7.110 -14.331 497 HA LYS 81 HA LYS 81 11.000 9.312 -12.666 498 2HB LYS 81 2HB LYS 81 13.874 9.067 -13.244 499 2HG LYS 81 2HG LYS 81 13.799 9.739 -10.704 500 2HD LYS 81 2HD LYS 81 13.398 11.241 -13.152 501 2HE LYS 81 2HE LYS 81 11.528 11.868 -10.954 502 1HZ LYS 81 1HZ LYS 81 13.424 13.460 -10.647 503 2HZ LYS 81 2HZ LYS 81 13.039 14.098 -12.100 504 3HZ LYS 81 3HZ LYS 81 11.956 14.136 -10.879 505 H SER 82 H SER 82 10.065 8.415 -15.222 506 HA SER 82 HA SER 82 11.196 8.874 -17.456 507 2HB SER 82 2HB SER 82 8.794 10.629 -16.841 508 HG SER 82 HG SER 82 8.738 8.868 -19.006 509 H ALA 83 H ALA 83 9.902 11.823 -15.748 510 HA ALA 83 HA ALA 83 11.910 13.408 -17.136 511 1HB ALA 83 1HB ALA 83 9.276 13.874 -15.797 512 2HB ALA 83 2HB ALA 83 10.455 15.207 -15.755 513 3HB ALA 83 3HB ALA 83 9.921 14.540 -17.316 Start of MODEL 3 1 H MET 1 H MET 1 8.619 9.202 -5.870 2 HA MET 1 HA MET 1 6.108 7.753 -6.009 3 2HB MET 1 2HB MET 1 6.121 10.212 -6.515 4 2HG MET 1 2HG MET 1 8.567 9.690 -7.751 5 1HE MET 1 1HE MET 1 8.872 11.642 -10.051 6 2HE MET 1 2HE MET 1 7.988 11.306 -11.558 7 3HE MET 1 3HE MET 1 7.176 12.154 -10.221 8 H PHE 2 H PHE 2 9.367 7.959 -7.393 9 HA PHE 2 HA PHE 2 10.428 6.778 -8.924 10 2HB PHE 2 2HB PHE 2 9.177 4.325 -9.114 11 HD1 PHE 2 HD1 PHE 2 11.856 4.722 -9.046 12 HD2 PHE 2 HD2 PHE 2 9.322 4.345 -5.663 13 HE1 PHE 2 HE1 PHE 2 13.818 4.001 -7.656 14 HE2 PHE 2 HE2 PHE 2 11.283 3.623 -4.273 15 HZ PHE 2 HZ PHE 2 13.508 3.461 -5.286 16 HA PRO 3 HA PRO 3 8.416 6.811 -12.761 17 2HB PRO 3 2HB PRO 3 10.371 6.492 -13.936 18 2HG PRO 3 2HG PRO 3 12.029 5.396 -12.768 19 2HD PRO 3 2HD PRO 3 11.395 5.878 -10.611 20 H ALA 4 H ALA 4 8.951 3.344 -12.290 21 HA ALA 4 HA ALA 4 7.111 2.137 -13.568 22 1HB ALA 4 1HB ALA 4 7.506 1.977 -10.561 23 2HB ALA 4 2HB ALA 4 6.520 0.805 -11.467 24 3HB ALA 4 3HB ALA 4 8.256 0.972 -11.823 25 H MET 5 H MET 5 5.757 2.966 -10.354 26 HA MET 5 HA MET 5 3.242 3.430 -11.610 27 2HB MET 5 2HB MET 5 2.835 4.045 -8.971 28 2HG MET 5 2HG MET 5 2.182 1.926 -10.512 29 1HE MET 5 1HE MET 5 2.010 -0.084 -8.072 30 2HE MET 5 2HE MET 5 2.334 -1.235 -9.390 31 3HE MET 5 3HE MET 5 3.382 -1.211 -7.952 32 HA PRO 6 HA PRO 6 3.247 7.769 -11.491 33 2HB PRO 6 2HB PRO 6 1.138 7.921 -12.402 34 2HG PRO 6 2HG PRO 6 -0.209 6.088 -12.023 35 2HD PRO 6 2HD PRO 6 1.389 4.471 -11.681 36 H LEU 7 H LEU 7 1.933 9.718 -10.004 37 HA LEU 7 HA LEU 7 2.905 9.118 -7.308 38 2HB LEU 7 2HB LEU 7 4.437 10.538 -8.948 39 HG LEU 7 HG LEU 7 2.525 12.567 -7.785 40 1HD1 LEU 7 1HD1 LEU 7 5.036 12.883 -7.155 41 2HD1 LEU 7 2HD1 LEU 7 5.213 13.363 -8.860 42 3HD1 LEU 7 3HD1 LEU 7 4.100 14.256 -7.795 43 1HD2 LEU 7 1HD2 LEU 7 2.260 11.711 -10.151 44 2HD2 LEU 7 2HD2 LEU 7 2.433 13.473 -9.970 45 3HD2 LEU 7 3HD2 LEU 7 3.815 12.494 -10.518 46 H SER 8 H SER 8 1.553 9.792 -5.680 47 HA SER 8 HA SER 8 -0.307 11.870 -6.147 48 2HB SER 8 2HB SER 8 -2.278 10.732 -6.439 49 HG SER 8 HG SER 8 -1.390 9.767 -8.195 50 H SER 9 H SER 9 1.594 11.955 -4.295 51 HA SER 9 HA SER 9 0.341 10.965 -1.855 52 2HB SER 9 2HB SER 9 2.524 9.992 -2.066 53 HG SER 9 HG SER 9 3.612 12.652 -2.409 54 H LEU 10 H LEU 10 -0.722 12.555 -0.736 55 HA LEU 10 HA LEU 10 -0.776 14.477 0.483 56 2HB LEU 10 2HB LEU 10 1.167 15.839 -1.352 57 HG LEU 10 HG LEU 10 1.068 17.465 0.152 58 1HD1 LEU 10 1HD1 LEU 10 -1.230 16.589 0.637 59 2HD1 LEU 10 2HD1 LEU 10 -0.542 15.721 2.030 60 3HD1 LEU 10 3HD1 LEU 10 -0.479 17.499 1.970 61 1HD2 LEU 10 1HD2 LEU 10 2.826 15.676 1.227 62 2HD2 LEU 10 2HD2 LEU 10 2.538 17.322 1.839 63 3HD2 LEU 10 3HD2 LEU 10 1.707 15.937 2.586 64 H PHE 11 H PHE 11 -2.248 13.450 -1.879 65 HA PHE 11 HA PHE 11 -3.929 15.629 -2.262 66 2HB PHE 11 2HB PHE 11 -2.470 14.879 -4.824 67 HD1 PHE 11 HD1 PHE 11 -4.557 15.546 -5.938 68 HD2 PHE 11 HD2 PHE 11 -2.441 18.241 -3.434 69 HE1 PHE 11 HE1 PHE 11 -5.854 17.464 -6.906 70 HE2 PHE 11 HE2 PHE 11 -3.738 20.160 -4.403 71 HZ PHE 11 HZ PHE 11 -5.429 19.748 -6.126 72 H VAL 12 H VAL 12 -3.969 12.770 -1.602 73 HA VAL 12 HA VAL 12 -4.709 11.165 -3.726 74 HB VAL 12 HB VAL 12 -4.185 10.553 -1.334 75 1HG1 VAL 12 1HG1 VAL 12 -6.516 12.117 -0.841 76 2HG1 VAL 12 2HG1 VAL 12 -6.885 10.436 -0.384 77 3HG1 VAL 12 3HG1 VAL 12 -5.482 11.265 0.332 78 1HG2 VAL 12 1HG2 VAL 12 -6.193 9.368 -3.134 79 2HG2 VAL 12 2HG2 VAL 12 -4.787 8.627 -2.330 80 3HG2 VAL 12 3HG2 VAL 12 -6.317 8.825 -1.442 81 H ASN 13 H ASN 13 -7.454 10.584 -2.224 82 HA ASN 13 HA ASN 13 -9.134 11.311 -4.110 83 2HB ASN 13 2HB ASN 13 -10.785 11.733 -1.968 84 1HD2 ASN 13 2HD2 ASN 13 -11.787 9.741 -1.113 85 2HD2 ASN 13 1HD2 ASN 13 -11.749 8.303 -2.079 86 H GLY 14 H GLY 14 -7.508 13.431 -1.820 87 1HA GLY 14 1HA GLY 14 -8.556 15.779 -3.131 88 2HA GLY 14 2HA GLY 14 -9.090 15.597 -1.472 89 HA PRO 15 HA PRO 15 -5.017 17.594 -1.317 90 2HB PRO 15 2HB PRO 15 -5.669 19.785 -1.596 91 2HG PRO 15 2HG PRO 15 -7.948 20.129 -1.530 92 2HD PRO 15 2HD PRO 15 -8.693 18.038 -2.131 93 H ARG 16 H ARG 16 -4.009 18.759 0.885 94 HA ARG 16 HA ARG 16 -3.481 16.642 2.454 95 2HB ARG 16 2HB ARG 16 -2.401 18.998 2.419 96 2HG ARG 16 2HG ARG 16 -4.195 19.573 4.783 97 2HD ARG 16 2HD ARG 16 -2.018 20.863 4.113 98 HE ARG 16 HE ARG 16 -2.207 21.496 1.850 99 1HH1 ARG 16 1HH1 ARG 16 -5.131 22.382 3.595 100 2HH1 ARG 16 2HH1 ARG 16 -5.767 23.339 2.300 101 1HH2 ARG 16 1HH2 ARG 16 -3.046 22.758 0.140 102 2HH2 ARG 16 2HH2 ARG 16 -4.573 23.554 0.321 103 H THR 17 H THR 17 -6.401 18.557 2.332 104 HA THR 17 HA THR 17 -7.278 18.082 4.999 105 HB THR 17 HB THR 17 -8.559 19.018 2.390 106 HG1 THR 17 HG1 THR 17 -8.021 20.153 5.044 107 1HG2 THR 17 1HG2 THR 17 -10.257 17.856 3.958 108 2HG2 THR 17 2HG2 THR 17 -9.827 19.087 5.171 109 3HG2 THR 17 3HG2 THR 17 -10.568 19.578 3.628 110 H LEU 18 H LEU 18 -7.201 16.182 2.052 111 HA LEU 18 HA LEU 18 -9.365 14.503 2.612 112 2HB LEU 18 2HB LEU 18 -6.924 13.528 1.193 113 HG LEU 18 HG LEU 18 -8.397 12.569 -0.370 114 1HD1 LEU 18 1HD1 LEU 18 -9.309 12.232 2.473 115 2HD1 LEU 18 2HD1 LEU 18 -10.128 11.367 1.150 116 3HD1 LEU 18 3HD1 LEU 18 -8.388 11.119 1.433 117 1HD2 LEU 18 1HD2 LEU 18 -10.010 14.788 0.095 118 2HD2 LEU 18 2HD2 LEU 18 -10.339 13.438 -1.017 119 3HD2 LEU 18 3HD2 LEU 18 -10.992 13.407 0.638 120 H CYS 19 H CYS 19 -7.064 12.197 2.298 121 HA CYS 19 HA CYS 19 -7.239 11.572 5.114 122 2HB CYS 19 2HB CYS 19 -5.806 9.555 3.801 123 H GLY 20 H GLY 20 -5.484 13.773 3.797 124 1HA GLY 20 1HA GLY 20 -3.393 14.587 3.961 125 2HA GLY 20 2HA GLY 20 -3.313 13.704 5.471 126 H ALA 21 H ALA 21 -0.949 13.989 4.158 127 HA ALA 21 HA ALA 21 -0.559 11.634 2.496 128 1HB ALA 21 1HB ALA 21 0.611 14.263 2.752 129 2HB ALA 21 2HB ALA 21 1.875 13.028 2.966 130 3HB ALA 21 3HB ALA 21 0.879 13.037 1.490 131 H GLU 22 H GLU 22 -0.869 12.186 5.727 132 HA GLU 22 HA GLU 22 1.256 11.435 7.072 133 2HB GLU 22 2HB GLU 22 -1.540 10.265 7.410 134 2HG GLU 22 2HG GLU 22 0.663 10.626 9.493 135 H LEU 23 H LEU 23 -1.067 8.884 5.902 136 HA LEU 23 HA LEU 23 0.615 6.753 6.349 137 2HB LEU 23 2HB LEU 23 -0.956 6.127 4.102 138 HG LEU 23 HG LEU 23 -2.621 5.313 5.935 139 1HD1 LEU 23 1HD1 LEU 23 0.024 4.284 5.110 140 2HD1 LEU 23 2HD1 LEU 23 -0.684 3.525 6.556 141 3HD1 LEU 23 3HD1 LEU 23 -1.588 3.534 5.023 142 1HD2 LEU 23 1HD2 LEU 23 -0.919 6.832 7.554 143 2HD2 LEU 23 2HD2 LEU 23 -2.184 5.695 8.079 144 3HD2 LEU 23 3HD2 LEU 23 -0.503 5.136 7.903 145 H VAL 24 H VAL 24 0.715 9.232 3.869 146 HA VAL 24 HA VAL 24 2.201 7.727 1.980 147 HB VAL 24 HB VAL 24 0.929 10.222 2.149 148 1HG1 VAL 24 1HG1 VAL 24 3.206 11.064 2.905 149 2HG1 VAL 24 2HG1 VAL 24 3.799 10.649 1.279 150 3HG1 VAL 24 3HG1 VAL 24 2.510 11.862 1.475 151 1HG2 VAL 24 1HG2 VAL 24 1.088 8.480 0.269 152 2HG2 VAL 24 2HG2 VAL 24 1.061 10.195 -0.204 153 3HG2 VAL 24 3HG2 VAL 24 2.598 9.298 -0.196 154 H ASP 25 H ASP 25 2.973 9.778 4.813 155 HA ASP 25 HA ASP 25 5.719 9.886 4.225 156 2HB ASP 25 2HB ASP 25 5.635 10.324 6.912 157 H ALA 26 H ALA 26 3.504 7.675 5.926 158 HA ALA 26 HA ALA 26 5.296 6.328 7.554 159 1HB ALA 26 1HB ALA 26 2.587 6.177 6.828 160 2HB ALA 26 2HB ALA 26 3.266 4.595 6.375 161 3HB ALA 26 3HB ALA 26 3.421 5.184 8.047 162 H LEU 27 H LEU 27 4.235 5.595 4.156 163 HA LEU 27 HA LEU 27 6.029 3.430 3.898 164 2HB LEU 27 2HB LEU 27 5.363 3.402 1.608 165 HG LEU 27 HG LEU 27 3.427 3.398 3.650 166 1HD1 LEU 27 1HD1 LEU 27 2.875 5.680 2.378 167 2HD1 LEU 27 2HD1 LEU 27 2.015 4.555 1.299 168 3HD1 LEU 27 3HD1 LEU 27 1.611 4.611 3.031 169 1HD2 LEU 27 1HD2 LEU 27 3.964 2.123 1.115 170 2HD2 LEU 27 2HD2 LEU 27 3.123 1.494 2.552 171 3HD2 LEU 27 3HD2 LEU 27 2.219 2.405 1.319 172 H GLN 28 H GLN 28 6.274 6.941 3.506 173 HA GLN 28 HA GLN 28 8.639 6.802 1.961 174 2HB GLN 28 2HB GLN 28 8.282 9.303 3.446 175 2HG GLN 28 2HG GLN 28 8.891 8.361 0.785 176 1HE2 GLN 28 2HE2 GLN 28 8.493 10.960 -0.460 177 2HE2 GLN 28 1HE2 GLN 28 6.862 11.016 -1.043 178 H PHE 29 H PHE 29 7.957 6.073 5.194 179 HA PHE 29 HA PHE 29 10.525 7.037 6.170 180 2HB PHE 29 2HB PHE 29 7.859 6.147 7.213 181 HD1 PHE 29 HD1 PHE 29 11.395 5.673 8.228 182 HD2 PHE 29 HD2 PHE 29 7.319 4.952 9.161 183 HE1 PHE 29 HE1 PHE 29 12.093 4.104 10.059 184 HE2 PHE 29 HE2 PHE 29 8.016 3.384 10.993 185 HZ PHE 29 HZ PHE 29 10.395 2.978 11.420 186 H VAL 30 H VAL 30 8.597 3.960 5.981 187 HA VAL 30 HA VAL 30 11.068 2.484 6.448 188 HB VAL 30 HB VAL 30 8.166 2.017 6.789 189 1HG1 VAL 30 1HG1 VAL 30 8.692 0.304 5.111 190 2HG1 VAL 30 2HG1 VAL 30 10.053 -0.266 6.108 191 3HG1 VAL 30 3HG1 VAL 30 8.383 -0.430 6.704 192 1HG2 VAL 30 1HG2 VAL 30 10.671 1.130 8.257 193 2HG2 VAL 30 2HG2 VAL 30 9.553 2.435 8.722 194 3HG2 VAL 30 3HG2 VAL 30 9.010 0.741 8.764 195 H CYS 31 H CYS 31 8.540 3.144 4.002 196 HA CYS 31 HA CYS 31 9.451 1.158 2.211 197 2HB CYS 31 2HB CYS 31 8.082 3.427 0.988 198 H GLY 32 H GLY 32 10.325 4.493 3.038 199 1HA GLY 32 1HA GLY 32 12.617 5.098 2.481 200 2HA GLY 32 2HA GLY 32 12.344 4.454 0.874 201 H ASP 33 H ASP 33 12.662 7.299 2.487 202 HA ASP 33 HA ASP 33 10.775 8.994 2.211 203 2HB ASP 33 2HB ASP 33 12.471 10.590 0.998 204 H ARG 34 H ARG 34 12.163 7.142 -0.480 205 HA ARG 34 HA ARG 34 11.472 8.612 -2.627 206 2HB ARG 34 2HB ARG 34 11.199 6.358 -3.811 207 2HG ARG 34 2HG ARG 34 13.541 5.500 -2.720 208 2HD ARG 34 2HD ARG 34 12.970 7.861 -4.549 209 HE ARG 34 HE ARG 34 15.732 6.868 -4.441 210 1HH1 ARG 34 1HH1 ARG 34 13.484 9.318 -3.287 211 2HH1 ARG 34 2HH1 ARG 34 14.728 10.458 -2.898 212 1HH2 ARG 34 1HH2 ARG 34 17.373 8.374 -3.928 213 2HH2 ARG 34 2HH2 ARG 34 16.955 9.918 -3.265 214 H GLY 35 H GLY 35 9.380 7.113 -0.271 215 1HA GLY 35 1HA GLY 35 7.139 7.236 -0.016 216 2HA GLY 35 2HA GLY 35 7.039 8.222 -1.462 217 H PHE 36 H PHE 36 5.470 5.768 -0.418 218 HA PHE 36 HA PHE 36 6.045 3.844 -2.512 219 2HB PHE 36 2HB PHE 36 4.424 4.077 0.040 220 HD1 PHE 36 HD1 PHE 36 4.793 1.057 -2.046 221 HD2 PHE 36 HD2 PHE 36 2.099 3.921 -0.450 222 HE1 PHE 36 HE1 PHE 36 2.855 -0.384 -2.732 223 HE2 PHE 36 HE2 PHE 36 0.161 2.481 -1.136 224 HZ PHE 36 HZ PHE 36 0.563 0.345 -2.268 225 H TYR 37 H TYR 37 4.278 3.012 -3.909 226 HA TYR 37 HA TYR 37 2.859 5.164 -5.091 227 2HB TYR 37 2HB TYR 37 2.399 3.453 -6.712 228 HD1 TYR 37 HD1 TYR 37 5.115 4.529 -5.789 229 HD2 TYR 37 HD2 TYR 37 3.655 0.549 -6.374 230 HE1 TYR 37 HE1 TYR 37 7.482 3.719 -6.241 231 HE2 TYR 37 HE2 TYR 37 6.027 -0.247 -6.824 232 HH TYR 37 HH TYR 37 8.316 1.355 -7.765 233 H PHE 38 H PHE 38 1.914 5.465 -2.628 234 HA PHE 38 HA PHE 38 0.176 4.406 -1.240 235 2HB PHE 38 2HB PHE 38 -1.489 6.386 -2.563 236 HD1 PHE 38 HD1 PHE 38 0.697 5.311 0.079 237 HD2 PHE 38 HD2 PHE 38 -1.753 8.517 -1.236 238 HE1 PHE 38 HE1 PHE 38 0.643 6.229 2.415 239 HE2 PHE 38 HE2 PHE 38 -1.807 9.434 1.099 240 HZ PHE 38 HZ PHE 38 -0.608 8.280 2.897 241 H ASN 39 H ASN 39 -1.173 5.372 -4.481 242 HA ASN 39 HA ASN 39 -3.023 3.157 -4.173 243 2HB ASN 39 2HB ASN 39 -4.472 4.812 -4.835 244 1HD2 ASN 39 1HD2 ASN 39 -2.886 6.191 -7.436 245 2HD2 ASN 39 2HD2 ASN 39 -2.343 7.673 -6.722 246 H LYS 40 H LYS 40 -3.497 1.874 -6.244 247 HA LYS 40 HA LYS 40 -1.104 1.004 -7.423 248 2HB LYS 40 2HB LYS 40 -3.356 0.200 -8.985 249 2HG LYS 40 2HG LYS 40 -2.417 -1.514 -6.732 250 2HD LYS 40 2HD LYS 40 -1.781 -2.352 -9.465 251 2HE LYS 40 2HE LYS 40 -4.009 -3.477 -7.750 252 1HZ LYS 40 1HZ LYS 40 -1.852 -4.671 -9.350 253 2HZ LYS 40 2HZ LYS 40 -3.024 -5.501 -8.572 254 3HZ LYS 40 3HZ LYS 40 -3.409 -4.521 -9.820 255 HA PRO 41 HA PRO 41 -0.823 3.387 -11.022 256 2HB PRO 41 2HB PRO 41 0.821 2.081 -11.965 257 2HG PRO 41 2HG PRO 41 0.788 -0.131 -11.312 258 2HD PRO 41 2HD PRO 41 -0.292 0.057 -9.291 259 H THR 42 H THR 42 -3.083 4.109 -10.586 260 HA THR 42 HA THR 42 -5.304 3.152 -11.706 261 HB THR 42 HB THR 42 -5.857 5.165 -10.763 262 HG1 THR 42 HG1 THR 42 -6.137 5.574 -13.118 263 1HG2 THR 42 1HG2 THR 42 -2.967 5.873 -11.408 264 2HG2 THR 42 2HG2 THR 42 -4.111 7.135 -10.893 265 3HG2 THR 42 3HG2 THR 42 -3.750 5.766 -9.814 266 H GLY 43 H GLY 43 -6.526 3.522 -13.687 267 1HA GLY 43 1HA GLY 43 -5.459 2.570 -15.936 268 2HA GLY 43 2HA GLY 43 -6.740 3.766 -15.937 269 H TYR 44 H TYR 44 -6.252 6.020 -16.283 270 HA TYR 44 HA TYR 44 -3.468 6.578 -17.007 271 2HB TYR 44 2HB TYR 44 -5.780 7.699 -18.616 272 HD1 TYR 44 HD1 TYR 44 -2.863 5.423 -19.269 273 HD2 TYR 44 HD2 TYR 44 -4.716 9.204 -20.025 274 HE1 TYR 44 HE1 TYR 44 -1.028 5.998 -20.931 275 HE2 TYR 44 HE2 TYR 44 -2.874 9.767 -21.685 276 HH TYR 44 HH TYR 44 -1.173 7.927 -23.177 277 H GLY 45 H GLY 45 -3.897 9.205 -17.957 278 1HA GLY 45 1HA GLY 45 -3.697 10.807 -15.841 279 2HA GLY 45 2HA GLY 45 -4.478 11.313 -17.325 280 H SER 46 H SER 46 -6.832 11.176 -17.525 281 HA SER 46 HA SER 46 -8.056 11.565 -14.964 282 2HB SER 46 2HB SER 46 -9.293 11.732 -17.747 283 HG SER 46 HG SER 46 -10.779 11.695 -15.879 284 H SER 47 H SER 47 -7.520 9.102 -14.573 285 HA SER 47 HA SER 47 -9.970 7.743 -14.787 286 2HB SER 47 2HB SER 47 -8.166 5.839 -15.962 287 HG SER 47 HG SER 47 -10.632 7.095 -16.592 288 H SER 48 H SER 48 -9.443 7.975 -12.446 289 HA SER 48 HA SER 48 -7.145 6.606 -11.490 290 2HB SER 48 2HB SER 48 -7.739 7.440 -9.368 291 HG SER 48 HG SER 48 -7.801 9.131 -11.287 292 H ARG 49 H ARG 49 -7.958 4.569 -12.775 293 HA ARG 49 HA ARG 49 -10.147 3.165 -12.134 294 2HB ARG 49 2HB ARG 49 -8.779 1.107 -12.733 295 2HG ARG 49 2HG ARG 49 -7.850 2.161 -14.954 296 2HD ARG 49 2HD ARG 49 -10.180 1.073 -14.514 297 HE ARG 49 HE ARG 49 -10.787 3.843 -13.847 298 1HH1 ARG 49 2HH1 ARG 49 -12.121 0.914 -15.269 299 2HH1 ARG 49 1HH1 ARG 49 -13.764 1.338 -14.917 300 1HH2 ARG 49 1HH2 ARG 49 -12.953 4.403 -13.382 301 2HH2 ARG 49 2HH2 ARG 49 -14.240 3.337 -13.836 302 H ARG 50 H ARG 50 -10.852 3.015 -9.984 303 HA ARG 50 HA ARG 50 -9.526 2.987 -7.744 304 2HB ARG 50 2HB ARG 50 -11.353 0.896 -7.267 305 2HG ARG 50 2HG ARG 50 -12.350 3.732 -7.500 306 2HD ARG 50 2HD ARG 50 -13.188 3.193 -5.193 307 HE ARG 50 HE ARG 50 -14.267 2.225 -7.517 308 1HH1 ARG 50 1HH1 ARG 50 -13.939 0.813 -4.311 309 2HH1 ARG 50 2HH1 ARG 50 -15.359 -0.168 -4.458 310 1HH2 ARG 50 1HH2 ARG 50 -16.141 0.932 -7.712 311 2HH2 ARG 50 2HH2 ARG 50 -16.620 -0.100 -6.406 312 H ALA 51 H ALA 51 -7.452 2.037 -7.639 313 HA ALA 51 HA ALA 51 -7.447 -0.899 -7.751 314 1HB ALA 51 1HB ALA 51 -6.376 0.044 -9.771 315 2HB ALA 51 2HB ALA 51 -5.284 1.002 -8.743 316 3HB ALA 51 3HB ALA 51 -5.187 -0.775 -8.730 317 H CYS 52 H CYS 52 -7.401 1.730 -5.790 318 HA CYS 52 HA CYS 52 -5.104 0.999 -4.215 319 2HB CYS 52 2HB CYS 52 -5.781 3.380 -4.528 320 HG CYS 52 HG CYS 52 -8.143 3.815 -4.649 321 H GLN 53 H GLN 53 -6.643 -1.249 -4.452 322 HA GLN 53 HA GLN 53 -8.799 -1.664 -2.955 323 2HB GLN 53 2HB GLN 53 -8.216 -3.654 -3.894 324 2HG GLN 53 2HG GLN 53 -5.560 -4.266 -3.724 325 1HE2 GLN 53 2HE2 GLN 53 -5.063 -4.876 -5.688 326 2HE2 GLN 53 1HE2 GLN 53 -5.701 -4.249 -7.172 327 H THR 54 H THR 54 -5.383 -1.782 -1.715 328 HA THR 54 HA THR 54 -6.437 -1.777 1.012 329 HB THR 54 HB THR 54 -4.752 -3.458 0.604 330 HG1 THR 54 HG1 THR 54 -4.519 -1.604 2.368 331 1HG2 THR 54 1HG2 THR 54 -3.611 -1.378 -1.156 332 2HG2 THR 54 2HG2 THR 54 -2.394 -2.072 -0.059 333 3HG2 THR 54 3HG2 THR 54 -3.312 -3.133 -1.153 334 H GLY 55 H GLY 55 -6.685 0.580 -0.817 335 1HA GLY 55 1HA GLY 55 -5.224 2.656 -0.817 336 2HA GLY 55 2HA GLY 55 -6.775 2.783 -0.012 337 H ILE 56 H ILE 56 -3.261 2.499 0.420 338 HA ILE 56 HA ILE 56 -3.146 2.150 3.157 339 HB ILE 56 HB ILE 56 -1.388 2.664 1.029 340 2HG1 ILE 56 2HG1 ILE 56 -0.572 2.225 3.904 341 1HG2 ILE 56 1HG2 ILE 56 -1.556 5.075 1.884 342 2HG2 ILE 56 2HG2 ILE 56 -0.665 4.495 3.312 343 3HG2 ILE 56 3HG2 ILE 56 0.068 4.371 1.695 344 1HD1 ILE 56 1HD1 ILE 56 -2.183 0.493 2.057 345 2HD1 ILE 56 2HD1 ILE 56 -0.853 -0.288 2.946 346 3HD1 ILE 56 3HD1 ILE 56 -2.154 0.538 3.836 347 H VAL 57 H VAL 57 -4.648 4.651 1.423 348 HA VAL 57 HA VAL 57 -4.352 6.462 3.719 349 HB VAL 57 HB VAL 57 -5.439 7.776 1.439 350 1HG1 VAL 57 1HG1 VAL 57 -4.129 8.731 3.362 351 2HG1 VAL 57 2HG1 VAL 57 -2.661 8.041 2.627 352 3HG1 VAL 57 3HG1 VAL 57 -3.595 9.280 1.755 353 1HG2 VAL 57 1HG2 VAL 57 -2.893 6.228 0.856 354 2HG2 VAL 57 2HG2 VAL 57 -4.461 6.055 0.034 355 3HG2 VAL 57 3HG2 VAL 57 -3.529 7.562 -0.135 356 H ASP 58 H ASP 58 -6.556 4.894 1.358 357 HA ASP 58 HA ASP 58 -8.817 6.018 2.724 358 2HB ASP 58 2HB ASP 58 -8.555 4.081 0.379 359 H GLU 59 H GLU 59 -7.011 2.947 2.294 360 HA GLU 59 HA GLU 59 -8.982 1.473 3.766 361 2HB GLU 59 2HB GLU 59 -6.282 0.691 2.586 362 2HG GLU 59 2HG GLU 59 -7.987 -0.683 4.523 363 H CYS 60 H CYS 60 -6.109 3.348 4.367 364 HA CYS 60 HA CYS 60 -5.502 1.973 6.826 365 2HB CYS 60 2HB CYS 60 -4.313 4.558 5.820 366 H CYS 61 H CYS 61 -6.906 5.077 5.619 367 HA CYS 61 HA CYS 61 -7.217 6.283 8.101 368 2HB CYS 61 2HB CYS 61 -9.221 7.402 6.741 369 H PHE 62 H PHE 62 -9.211 3.969 6.198 370 HA PHE 62 HA PHE 62 -11.375 4.088 8.079 371 2HB PHE 62 2HB PHE 62 -10.567 2.590 5.555 372 HD1 PHE 62 HD1 PHE 62 -13.851 2.711 7.279 373 HD2 PHE 62 HD2 PHE 62 -10.720 0.261 5.795 374 HE1 PHE 62 HE1 PHE 62 -15.255 0.671 7.687 375 HE2 PHE 62 HE2 PHE 62 -12.124 -1.779 6.203 376 HZ PHE 62 HZ PHE 62 -14.374 -1.550 7.144 377 H ARG 63 H ARG 63 -8.712 1.804 7.206 378 HA ARG 63 HA ARG 63 -9.487 0.252 9.535 379 2HB ARG 63 2HB ARG 63 -7.398 -0.765 7.624 380 2HG ARG 63 2HG ARG 63 -9.399 -1.810 9.527 381 2HD ARG 63 2HD ARG 63 -10.403 -2.390 7.206 382 HE ARG 63 HE ARG 63 -7.868 -3.134 6.506 383 1HH1 ARG 63 1HH1 ARG 63 -10.796 -5.021 7.012 384 2HH1 ARG 63 2HH1 ARG 63 -10.349 -6.255 5.881 385 1HH2 ARG 63 1HH2 ARG 63 -7.279 -4.761 5.013 386 2HH2 ARG 63 2HH2 ARG 63 -8.335 -6.106 4.736 387 H SER 64 H SER 64 -8.421 1.377 11.224 388 HA SER 64 HA SER 64 -6.215 2.753 11.275 389 2HB SER 64 2HB SER 64 -5.931 2.171 13.592 390 HG SER 64 HG SER 64 -8.178 1.915 14.329 391 H CYS 65 H CYS 65 -4.475 2.309 9.899 392 HA CYS 65 HA CYS 65 -3.129 -0.248 10.396 393 2HB CYS 65 2HB CYS 65 -4.238 0.227 8.077 394 H ASP 66 H ASP 66 -1.541 0.379 11.868 395 HA ASP 66 HA ASP 66 -0.460 2.878 12.039 396 2HB ASP 66 2HB ASP 66 1.317 1.827 13.376 397 H LEU 67 H LEU 67 2.413 1.286 11.944 398 HA LEU 67 HA LEU 67 3.006 2.257 9.268 399 2HB LEU 67 2HB LEU 67 4.361 2.186 11.774 400 HG LEU 67 HG LEU 67 5.444 0.207 10.049 401 1HD1 LEU 67 1HD1 LEU 67 6.661 2.839 9.638 402 2HD1 LEU 67 2HD1 LEU 67 7.823 1.590 10.150 403 3HD1 LEU 67 3HD1 LEU 67 6.821 1.334 8.701 404 1HD2 LEU 67 1HD2 LEU 67 5.485 0.688 12.658 405 2HD2 LEU 67 2HD2 LEU 67 6.725 -0.310 11.863 406 3HD2 LEU 67 3HD2 LEU 67 7.069 1.391 12.254 407 H ARG 68 H ARG 68 2.298 -0.672 10.991 408 HA ARG 68 HA ARG 68 3.860 -2.472 9.682 409 2HB ARG 68 2HB ARG 68 1.233 -3.624 9.996 410 2HG ARG 68 2HG ARG 68 2.379 -4.516 12.158 411 2HD ARG 68 2HD ARG 68 3.643 -4.855 9.398 412 HE ARG 68 HE ARG 68 4.508 -5.968 11.940 413 1HH1 ARG 68 1HH1 ARG 68 4.098 -6.725 8.528 414 2HH1 ARG 68 2HH1 ARG 68 5.309 -7.962 8.526 415 1HH2 ARG 68 1HH2 ARG 68 6.105 -7.601 11.938 416 2HH2 ARG 68 2HH2 ARG 68 6.458 -8.465 10.479 417 H ARG 69 H ARG 69 0.891 -0.776 8.633 418 HA ARG 69 HA ARG 69 0.407 -2.444 6.438 419 2HB ARG 69 2HB ARG 69 -0.562 0.275 6.016 420 2HG ARG 69 2HG ARG 69 -2.720 -0.781 6.090 421 2HD ARG 69 2HD ARG 69 -1.011 -3.156 5.300 422 HE ARG 69 HE ARG 69 -2.987 -2.169 3.442 423 1HH1 ARG 69 1HH1 ARG 69 -2.686 -3.869 6.508 424 2HH1 ARG 69 2HH1 ARG 69 -4.194 -4.704 6.338 425 1HH2 ARG 69 2HH2 ARG 69 -4.976 -3.270 3.218 426 2HH2 ARG 69 1HH2 ARG 69 -5.506 -4.361 4.455 427 H LEU 70 H LEU 70 1.994 0.794 6.855 428 HA LEU 70 HA LEU 70 2.510 1.448 4.285 429 2HB LEU 70 2HB LEU 70 3.113 2.526 6.610 430 HG LEU 70 HG LEU 70 5.053 0.880 6.973 431 1HD1 LEU 70 1HD1 LEU 70 5.757 1.606 4.416 432 2HD1 LEU 70 2HD1 LEU 70 6.868 2.572 5.416 433 3HD1 LEU 70 3HD1 LEU 70 6.813 0.802 5.602 434 1HD2 LEU 70 1HD2 LEU 70 5.080 3.845 7.250 435 2HD2 LEU 70 2HD2 LEU 70 5.114 2.571 8.492 436 3HD2 LEU 70 3HD2 LEU 70 6.592 2.968 7.582 437 H GLU 71 H GLU 71 4.128 -1.044 6.286 438 HA GLU 71 HA GLU 71 6.062 -1.519 4.242 439 2HB GLU 71 2HB GLU 71 6.013 -1.931 6.967 440 2HG GLU 71 2HG GLU 71 5.739 -4.650 5.600 441 H MET 72 H MET 72 2.865 -2.669 5.166 442 HA MET 72 HA MET 72 3.006 -5.188 3.997 443 2HB MET 72 2HB MET 72 0.345 -4.458 3.768 444 2HG MET 72 2HG MET 72 0.077 -5.248 6.126 445 1HE MET 72 1HE MET 72 -0.084 -7.255 6.857 446 2HE MET 72 2HE MET 72 -0.227 -8.591 5.690 447 3HE MET 72 3HE MET 72 1.200 -8.483 6.748 448 H TYR 73 H TYR 73 1.870 -1.987 2.728 449 HA TYR 73 HA TYR 73 1.347 -3.118 0.135 450 2HB TYR 73 2HB TYR 73 1.665 -0.158 0.689 451 HD1 TYR 73 HD1 TYR 73 0.813 -2.526 -1.536 452 HD2 TYR 73 HD2 TYR 73 -1.038 0.769 0.470 453 HE1 TYR 73 HE1 TYR 73 -0.872 -2.310 -3.428 454 HE2 TYR 73 HE2 TYR 73 -2.716 0.973 -1.429 455 HH TYR 73 HH TYR 73 -2.843 0.409 -3.785 456 H CYS 74 H CYS 74 4.057 -1.686 1.841 457 HA CYS 74 HA CYS 74 5.526 -0.319 0.205 458 2HB CYS 74 2HB CYS 74 7.317 -2.377 0.912 459 H ALA 75 H ALA 75 3.874 -1.511 -1.663 460 HA ALA 75 HA ALA 75 4.511 -3.734 -2.985 461 1HB ALA 75 1HB ALA 75 2.761 -2.132 -3.648 462 2HB ALA 75 2HB ALA 75 4.005 -0.993 -4.214 463 3HB ALA 75 3HB ALA 75 3.788 -2.555 -5.038 464 HA PRO 76 HA PRO 76 8.805 -2.926 -3.737 465 2HB PRO 76 2HB PRO 76 9.560 -4.605 -2.353 466 2HG PRO 76 2HG PRO 76 7.929 -6.074 -1.644 467 2HD PRO 76 2HD PRO 76 6.065 -4.747 -1.857 468 H LEU 77 H LEU 77 10.420 -4.328 -5.375 469 HA LEU 77 HA LEU 77 9.908 -3.428 -7.813 470 2HB LEU 77 2HB LEU 77 11.002 -5.774 -8.514 471 HG LEU 77 HG LEU 77 12.063 -3.359 -8.288 472 1HD1 LEU 77 1HD1 LEU 77 12.352 -4.314 -5.646 473 2HD1 LEU 77 2HD1 LEU 77 13.978 -4.318 -6.372 474 3HD1 LEU 77 3HD1 LEU 77 13.012 -2.823 -6.359 475 1HD2 LEU 77 1HD2 LEU 77 12.865 -5.585 -9.446 476 2HD2 LEU 77 2HD2 LEU 77 13.972 -4.207 -9.234 477 3HD2 LEU 77 3HD2 LEU 77 14.049 -5.591 -8.117 478 H LYS 78 H LYS 78 8.205 -3.474 -9.166 479 HA LYS 78 HA LYS 78 6.319 -5.672 -8.879 480 2HB LYS 78 2HB LYS 78 5.642 -3.549 -10.777 481 2HG LYS 78 2HG LYS 78 3.995 -5.131 -9.815 482 2HD LYS 78 2HD LYS 78 3.855 -3.928 -7.152 483 2HE LYS 78 2HE LYS 78 3.673 -6.570 -8.472 484 1HZ LYS 78 1HZ LYS 78 4.961 -6.266 -5.866 485 2HZ LYS 78 2HZ LYS 78 4.088 -7.600 -6.220 486 3HZ LYS 78 3HZ LYS 78 5.403 -7.224 -7.113 487 HA PRO 79 HA PRO 79 7.866 -7.538 -12.469 488 2HB PRO 79 2HB PRO 79 7.290 -9.631 -11.705 489 2HG PRO 79 2HG PRO 79 5.708 -9.643 -10.026 490 2HD PRO 79 2HD PRO 79 6.019 -7.536 -9.159 491 H ALA 80 H ALA 80 7.050 -5.148 -13.147 492 HA ALA 80 HA ALA 80 5.898 -5.664 -15.704 493 1HB ALA 80 1HB ALA 80 4.270 -4.363 -13.508 494 2HB ALA 80 2HB ALA 80 3.992 -3.968 -15.221 495 3HB ALA 80 3HB ALA 80 3.788 -5.641 -14.649 496 H LYS 81 H LYS 81 5.784 -3.569 -16.992 497 HA LYS 81 HA LYS 81 6.794 -1.185 -16.035 498 2HB LYS 81 2HB LYS 81 9.054 -2.326 -17.558 499 2HG LYS 81 2HG LYS 81 9.648 -1.139 -14.973 500 2HD LYS 81 2HD LYS 81 10.273 -0.765 -17.847 501 2HE LYS 81 2HE LYS 81 9.625 1.568 -16.147 502 1HZ LYS 81 1HZ LYS 81 12.248 1.109 -16.378 503 2HZ LYS 81 2HZ LYS 81 11.974 2.047 -17.687 504 3HZ LYS 81 3HZ LYS 81 11.578 2.587 -16.197 505 H SER 82 H SER 82 4.704 -2.109 -17.704 506 HA SER 82 HA SER 82 5.005 -2.301 -20.305 507 2HB SER 82 2HB SER 82 2.786 -1.829 -20.351 508 HG SER 82 HG SER 82 1.881 -1.169 -18.149 509 H ALA 83 H ALA 83 5.551 -1.020 -22.117 510 HA ALA 83 HA ALA 83 7.295 1.128 -21.654 511 1HB ALA 83 1HB ALA 83 7.410 -0.391 -23.599 512 2HB ALA 83 2HB ALA 83 5.854 0.243 -24.188 513 3HB ALA 83 3HB ALA 83 7.278 1.308 -24.116 Start of MODEL 4 1 H MET 1 H MET 1 4.986 20.209 -4.506 2 HA MET 1 HA MET 1 6.901 20.516 -6.104 3 2HB MET 1 2HB MET 1 7.945 19.320 -3.538 4 2HG MET 1 2HG MET 1 9.169 20.945 -5.193 5 1HE MET 1 1HE MET 1 9.636 23.332 -3.059 6 2HE MET 1 2HE MET 1 8.730 24.791 -3.526 7 3HE MET 1 3HE MET 1 8.046 23.663 -2.333 8 H PHE 2 H PHE 2 8.816 19.537 -7.001 9 HA PHE 2 HA PHE 2 9.975 17.911 -7.931 10 2HB PHE 2 2HB PHE 2 10.678 16.168 -6.433 11 HD1 PHE 2 HD1 PHE 2 11.823 18.528 -5.987 12 HD2 PHE 2 HD2 PHE 2 8.732 16.847 -3.613 13 HE1 PHE 2 HE1 PHE 2 12.522 19.969 -4.055 14 HE2 PHE 2 HE2 PHE 2 9.432 18.289 -1.681 15 HZ PHE 2 HZ PHE 2 11.318 19.833 -1.925 16 HA PRO 3 HA PRO 3 7.166 15.430 -10.107 17 2HB PRO 3 2HB PRO 3 8.470 15.493 -12.004 18 2HG PRO 3 2HG PRO 3 10.693 15.981 -11.628 19 2HD PRO 3 2HD PRO 3 10.531 17.108 -9.631 20 H ALA 4 H ALA 4 9.556 12.922 -9.974 21 HA ALA 4 HA ALA 4 8.233 10.794 -9.526 22 1HB ALA 4 1HB ALA 4 10.709 11.074 -9.217 23 2HB ALA 4 2HB ALA 4 10.400 11.612 -7.548 24 3HB ALA 4 3HB ALA 4 9.970 9.957 -8.045 25 H MET 5 H MET 5 8.980 12.756 -6.552 26 HA MET 5 HA MET 5 6.555 11.638 -5.413 27 2HB MET 5 2HB MET 5 7.567 12.084 -3.276 28 2HG MET 5 2HG MET 5 10.001 11.379 -3.524 29 1HE MET 5 1HE MET 5 10.456 9.552 -5.848 30 2HE MET 5 2HE MET 5 9.822 7.939 -5.443 31 3HE MET 5 3HE MET 5 8.972 8.957 -6.630 32 HA PRO 6 HA PRO 6 4.878 15.656 -6.147 33 2HB PRO 6 2HB PRO 6 3.097 14.841 -7.358 34 2HG PRO 6 2HG PRO 6 2.769 12.566 -7.176 35 2HD PRO 6 2HD PRO 6 4.890 11.893 -6.598 36 H LEU 7 H LEU 7 2.764 16.803 -4.918 37 HA LEU 7 HA LEU 7 3.895 17.099 -2.282 38 2HB LEU 7 2HB LEU 7 1.464 18.510 -3.339 39 HG LEU 7 HG LEU 7 2.674 20.479 -2.229 40 1HD1 LEU 7 1HD1 LEU 7 0.809 18.611 -1.277 41 2HD1 LEU 7 2HD1 LEU 7 1.943 18.885 0.067 42 3HD1 LEU 7 3HD1 LEU 7 1.099 20.263 -0.680 43 1HD2 LEU 7 1HD2 LEU 7 4.776 18.871 -1.955 44 2HD2 LEU 7 2HD2 LEU 7 4.427 20.187 -0.809 45 3HD2 LEU 7 3HD2 LEU 7 3.976 18.514 -0.405 46 H SER 8 H SER 8 3.312 15.831 -0.611 47 HA SER 8 HA SER 8 0.566 15.343 -0.151 48 2HB SER 8 2HB SER 8 0.342 13.135 -0.706 49 HG SER 8 HG SER 8 1.126 12.923 -2.690 50 H SER 9 H SER 9 2.107 16.787 1.455 51 HA SER 9 HA SER 9 2.620 14.971 3.651 52 2HB SER 9 2HB SER 9 4.834 15.355 2.680 53 HG SER 9 HG SER 9 5.227 17.975 3.209 54 H LEU 10 H LEU 10 0.653 15.754 4.604 55 HA LEU 10 HA LEU 10 -0.238 17.062 6.217 56 2HB LEU 10 2HB LEU 10 0.634 19.133 6.902 57 HG LEU 10 HG LEU 10 2.605 17.040 6.339 58 1HD1 LEU 10 1HD1 LEU 10 3.375 19.819 5.883 59 2HD1 LEU 10 2HD1 LEU 10 4.341 19.032 7.154 60 3HD1 LEU 10 3HD1 LEU 10 4.248 18.309 5.529 61 1HD2 LEU 10 1HD2 LEU 10 1.311 18.028 8.535 62 2HD2 LEU 10 2HD2 LEU 10 2.757 16.991 8.574 63 3HD2 LEU 10 3HD2 LEU 10 2.926 18.758 8.705 64 H PHE 11 H PHE 11 -0.917 16.600 3.362 65 HA PHE 11 HA PHE 11 -3.132 18.277 3.224 66 2HB PHE 11 2HB PHE 11 -1.142 18.858 0.998 67 HD1 PHE 11 HD1 PHE 11 -3.196 19.289 -0.316 68 HD2 PHE 11 HD2 PHE 11 -2.329 21.458 3.228 69 HE1 PHE 11 HE1 PHE 11 -4.873 21.037 -0.974 70 HE2 PHE 11 HE2 PHE 11 -4.006 23.205 2.569 71 HZ PHE 11 HZ PHE 11 -5.258 22.974 0.476 72 H VAL 12 H VAL 12 -2.276 15.449 2.976 73 HA VAL 12 HA VAL 12 -2.225 14.618 0.324 74 HB VAL 12 HB VAL 12 -1.624 13.299 2.338 75 1HG1 VAL 12 1HG1 VAL 12 -3.632 13.977 3.687 76 2HG1 VAL 12 2HG1 VAL 12 -4.610 12.880 2.682 77 3HG1 VAL 12 3HG1 VAL 12 -3.296 12.229 3.692 78 1HG2 VAL 12 1HG2 VAL 12 -3.267 12.351 0.073 79 2HG2 VAL 12 2HG2 VAL 12 -1.679 11.796 0.655 80 3HG2 VAL 12 3HG2 VAL 12 -3.166 11.226 1.449 81 H ASN 13 H ASN 13 -5.022 14.780 2.644 82 HA ASN 13 HA ASN 13 -6.744 14.651 0.311 83 2HB ASN 13 2HB ASN 13 -8.556 14.301 2.142 84 1HD2 ASN 13 2HD2 ASN 13 -9.085 12.156 2.754 85 2HD2 ASN 13 1HD2 ASN 13 -8.260 10.791 2.080 86 H GLY 14 H GLY 14 -5.189 17.074 1.185 87 1HA GLY 14 1HA GLY 14 -5.997 19.279 0.807 88 2HA GLY 14 2HA GLY 14 -7.473 18.879 1.663 89 HA PRO 15 HA PRO 15 -5.612 20.419 5.268 90 2HB PRO 15 2HB PRO 15 -7.660 20.799 6.249 91 2HG PRO 15 2HG PRO 15 -9.392 19.549 5.379 92 2HD PRO 15 2HD PRO 15 -8.561 19.104 3.282 93 H ARG 16 H ARG 16 -3.774 20.024 6.333 94 HA ARG 16 HA ARG 16 -2.616 17.604 6.166 95 2HB ARG 16 2HB ARG 16 -1.568 19.816 6.902 96 2HG ARG 16 2HG ARG 16 -1.462 20.115 9.428 97 2HD ARG 16 2HD ARG 16 -3.624 21.267 9.603 98 HE ARG 16 HE ARG 16 -1.889 21.699 7.434 99 1HH1 ARG 16 1HH1 ARG 16 -5.302 22.213 8.114 100 2HH1 ARG 16 2HH1 ARG 16 -5.440 23.575 7.052 101 1HH2 ARG 16 1HH2 ARG 16 -2.068 23.495 6.033 102 2HH2 ARG 16 2HH2 ARG 16 -3.589 24.308 5.859 103 H THR 17 H THR 17 -5.212 18.614 8.276 104 HA THR 17 HA THR 17 -4.774 16.322 10.055 105 HB THR 17 HB THR 17 -6.687 18.707 10.266 106 HG1 THR 17 HG1 THR 17 -4.086 18.023 11.450 107 1HG2 THR 17 1HG2 THR 17 -5.971 16.363 12.028 108 2HG2 THR 17 2HG2 THR 17 -6.151 17.952 12.810 109 3HG2 THR 17 3HG2 THR 17 -7.511 17.248 11.901 110 H LEU 18 H LEU 18 -5.671 16.169 7.173 111 HA LEU 18 HA LEU 18 -8.435 15.354 7.483 112 2HB LEU 18 2HB LEU 18 -6.724 15.159 5.013 113 HG LEU 18 HG LEU 18 -8.717 15.429 3.762 114 1HD1 LEU 18 1HD1 LEU 18 -8.274 13.150 4.610 115 2HD1 LEU 18 2HD1 LEU 18 -9.358 13.472 5.985 116 3HD1 LEU 18 3HD1 LEU 18 -10.005 13.460 4.327 117 1HD2 LEU 18 1HD2 LEU 18 -9.913 16.273 6.372 118 2HD2 LEU 18 2HD2 LEU 18 -10.050 17.005 4.755 119 3HD2 LEU 18 3HD2 LEU 18 -10.962 15.526 5.142 120 H CYS 19 H CYS 19 -6.333 13.556 5.311 121 HA CYS 19 HA CYS 19 -6.856 11.201 6.946 122 2HB CYS 19 2HB CYS 19 -5.704 10.499 4.448 123 H GLY 20 H GLY 20 -4.719 13.422 7.299 124 1HA GLY 20 1HA GLY 20 -2.490 13.627 7.637 125 2HA GLY 20 2HA GLY 20 -2.669 12.049 8.379 126 H ALA 21 H ALA 21 -1.387 13.851 5.680 127 HA ALA 21 HA ALA 21 -1.092 11.901 3.758 128 1HB ALA 21 1HB ALA 21 -0.525 14.468 3.831 129 2HB ALA 21 2HB ALA 21 1.085 13.906 4.343 130 3HB ALA 21 3HB ALA 21 0.419 13.387 2.776 131 H GLU 22 H GLU 22 0.201 12.034 6.960 132 HA GLU 22 HA GLU 22 2.657 10.978 6.768 133 2HB GLU 22 2HB GLU 22 0.835 9.730 8.802 134 2HG GLU 22 2HG GLU 22 3.504 11.211 8.853 135 H LEU 23 H LEU 23 -0.375 9.487 5.834 136 HA LEU 23 HA LEU 23 0.383 6.798 6.071 137 2HB LEU 23 2HB LEU 23 -1.451 6.472 4.368 138 HG LEU 23 HG LEU 23 -2.047 8.107 6.843 139 1HD1 LEU 23 1HD1 LEU 23 -3.747 7.986 4.711 140 2HD1 LEU 23 2HD1 LEU 23 -4.263 6.573 5.661 141 3HD1 LEU 23 3HD1 LEU 23 -4.244 8.188 6.408 142 1HD2 LEU 23 1HD2 LEU 23 -2.232 5.151 6.212 143 2HD2 LEU 23 2HD2 LEU 23 -1.146 5.954 7.372 144 3HD2 LEU 23 3HD2 LEU 23 -2.898 5.909 7.678 145 H VAL 24 H VAL 24 0.909 9.304 3.570 146 HA VAL 24 HA VAL 24 2.034 7.381 1.747 147 HB VAL 24 HB VAL 24 0.980 9.029 0.589 148 1HG1 VAL 24 1HG1 VAL 24 1.954 11.007 2.674 149 2HG1 VAL 24 2HG1 VAL 24 1.063 11.466 1.201 150 3HG1 VAL 24 3HG1 VAL 24 0.292 10.423 2.421 151 1HG2 VAL 24 1HG2 VAL 24 3.707 9.014 0.356 152 2HG2 VAL 24 2HG2 VAL 24 2.596 9.891 -0.724 153 3HG2 VAL 24 3HG2 VAL 24 3.382 10.743 0.627 154 H ASP 25 H ASP 25 3.150 9.964 4.001 155 HA ASP 25 HA ASP 25 5.842 9.662 3.253 156 2HB ASP 25 2HB ASP 25 5.780 10.695 5.880 157 H ALA 26 H ALA 26 3.641 7.737 5.034 158 HA ALA 26 HA ALA 26 5.492 6.787 7.016 159 1HB ALA 26 1HB ALA 26 2.656 6.201 6.174 160 2HB ALA 26 2HB ALA 26 3.520 5.052 7.223 161 3HB ALA 26 3HB ALA 26 3.280 6.734 7.753 162 H LEU 27 H LEU 27 3.791 5.317 4.151 163 HA LEU 27 HA LEU 27 5.152 2.938 4.145 164 2HB LEU 27 2HB LEU 27 4.570 2.860 1.733 165 HG LEU 27 HG LEU 27 2.696 3.141 3.889 166 1HD1 LEU 27 1HD1 LEU 27 2.195 5.137 2.086 167 2HD1 LEU 27 2HD1 LEU 27 1.180 3.814 1.461 168 3HD1 LEU 27 3HD1 LEU 27 0.981 4.371 3.140 169 1HD2 LEU 27 1HD2 LEU 27 3.368 1.218 2.167 170 2HD2 LEU 27 2HD2 LEU 27 1.796 1.255 3.000 171 3HD2 LEU 27 3HD2 LEU 27 1.929 1.839 1.324 172 H GLN 28 H GLN 28 6.064 6.089 2.634 173 HA GLN 28 HA GLN 28 8.486 4.945 1.653 174 2HB GLN 28 2HB GLN 28 8.202 7.911 1.742 175 2HG GLN 28 2HG GLN 28 9.895 6.562 0.367 176 1HE2 GLN 28 2HE2 GLN 28 8.393 7.046 -2.428 177 2HE2 GLN 28 1HE2 GLN 28 7.870 5.450 -2.853 178 H PHE 29 H PHE 29 7.363 6.236 4.639 179 HA PHE 29 HA PHE 29 9.644 7.573 5.530 180 2HB PHE 29 2HB PHE 29 7.076 6.507 6.479 181 HD1 PHE 29 HD1 PHE 29 10.328 6.865 8.294 182 HD2 PHE 29 HD2 PHE 29 6.485 5.069 8.171 183 HE1 PHE 29 HE1 PHE 29 10.864 5.572 10.379 184 HE2 PHE 29 HE2 PHE 29 7.022 3.778 10.255 185 HZ PHE 29 HZ PHE 29 9.205 4.044 11.333 186 H VAL 30 H VAL 30 8.718 4.106 5.497 187 HA VAL 30 HA VAL 30 11.209 3.478 6.894 188 HB VAL 30 HB VAL 30 8.677 1.948 6.313 189 1HG1 VAL 30 1HG1 VAL 30 11.398 0.928 6.925 190 2HG1 VAL 30 2HG1 VAL 30 10.066 0.234 7.879 191 3HG1 VAL 30 3HG1 VAL 30 10.032 0.139 6.102 192 1HG2 VAL 30 1HG2 VAL 30 9.420 3.604 8.423 193 2HG2 VAL 30 2HG2 VAL 30 8.100 2.409 8.426 194 3HG2 VAL 30 3HG2 VAL 30 9.707 1.961 9.045 195 H CYS 31 H CYS 31 9.637 3.515 3.760 196 HA CYS 31 HA CYS 31 11.584 1.658 2.680 197 2HB CYS 31 2HB CYS 31 10.000 2.760 0.618 198 H GLY 32 H GLY 32 10.851 5.085 3.060 199 1HA GLY 32 1HA GLY 32 13.302 6.082 2.480 200 2HA GLY 32 2HA GLY 32 12.544 5.982 0.904 201 H ASP 33 H ASP 33 12.906 7.869 3.734 202 HA ASP 33 HA ASP 33 10.475 9.082 3.990 203 2HB ASP 33 2HB ASP 33 11.732 10.974 4.981 204 H ARG 34 H ARG 34 11.068 8.648 1.138 205 HA ARG 34 HA ARG 34 11.480 11.357 0.194 206 2HB ARG 34 2HB ARG 34 11.870 10.338 -2.016 207 2HG ARG 34 2HG ARG 34 13.513 8.344 -1.007 208 2HD ARG 34 2HD ARG 34 13.825 10.876 -2.109 209 HE ARG 34 HE ARG 34 14.440 12.282 -0.362 210 1HH1 ARG 34 1HH1 ARG 34 15.402 9.001 0.471 211 2HH1 ARG 34 2HH1 ARG 34 16.132 9.460 1.973 212 1HH2 ARG 34 1HH2 ARG 34 15.403 12.888 1.620 213 2HH2 ARG 34 2HH2 ARG 34 16.133 11.686 2.631 214 H GLY 35 H GLY 35 8.995 9.255 1.089 215 1HA GLY 35 1HA GLY 35 6.744 9.779 0.962 216 2HA GLY 35 2HA GLY 35 7.036 10.793 -0.438 217 H PHE 36 H PHE 36 5.417 8.106 0.407 218 HA PHE 36 HA PHE 36 6.096 6.676 -2.065 219 2HB PHE 36 2HB PHE 36 4.773 5.875 0.595 220 HD1 PHE 36 HD1 PHE 36 6.473 4.048 -2.179 221 HD2 PHE 36 HD2 PHE 36 3.010 4.417 0.245 222 HE1 PHE 36 HE1 PHE 36 5.527 1.965 -3.213 223 HE2 PHE 36 HE2 PHE 36 2.064 2.335 -0.789 224 HZ PHE 36 HZ PHE 36 3.333 1.134 -2.506 225 H TYR 37 H TYR 37 3.966 5.246 -2.698 226 HA TYR 37 HA TYR 37 1.889 7.272 -3.082 227 2HB TYR 37 2HB TYR 37 1.858 4.559 -4.397 228 HD1 TYR 37 HD1 TYR 37 0.128 7.255 -4.137 229 HD2 TYR 37 HD2 TYR 37 2.665 5.563 -7.137 230 HE1 TYR 37 HE1 TYR 37 -1.151 8.515 -5.938 231 HE2 TYR 37 HE2 TYR 37 1.379 6.829 -8.929 232 HH TYR 37 HH TYR 37 -1.092 9.176 -8.055 233 H PHE 38 H PHE 38 -0.068 5.163 -3.873 234 HA PHE 38 HA PHE 38 -0.531 3.783 -1.361 235 2HB PHE 38 2HB PHE 38 -2.963 4.742 -1.547 236 HD1 PHE 38 HD1 PHE 38 -0.341 4.835 0.179 237 HD2 PHE 38 HD2 PHE 38 -2.914 7.809 -1.416 238 HE1 PHE 38 HE1 PHE 38 0.318 6.398 2.028 239 HE2 PHE 38 HE2 PHE 38 -2.255 9.371 0.434 240 HZ PHE 38 HZ PHE 38 -0.646 8.647 2.134 241 H ASN 39 H ASN 39 -3.414 4.159 -3.105 242 HA ASN 39 HA ASN 39 -3.057 1.518 -4.195 243 2HB ASN 39 2HB ASN 39 -5.495 3.350 -3.919 244 1HD2 ASN 39 2HD2 ASN 39 -5.780 2.959 -6.248 245 2HD2 ASN 39 1HD2 ASN 39 -6.562 1.504 -6.772 246 H LYS 40 H LYS 40 -1.832 1.839 -6.140 247 HA LYS 40 HA LYS 40 -2.908 3.796 -8.031 248 2HB LYS 40 2HB LYS 40 -0.445 3.776 -7.266 249 2HG LYS 40 2HG LYS 40 -0.182 1.692 -9.455 250 2HD LYS 40 2HD LYS 40 1.709 2.085 -7.140 251 2HE LYS 40 2HE LYS 40 1.698 0.654 -9.601 252 1HZ LYS 40 1HZ LYS 40 2.677 3.112 -10.103 253 2HZ LYS 40 2HZ LYS 40 4.031 2.253 -9.795 254 3HZ LYS 40 3HZ LYS 40 3.005 1.768 -10.970 255 HA PRO 41 HA PRO 41 -4.547 0.500 -10.312 256 2HB PRO 41 2HB PRO 41 -6.252 1.822 -11.116 257 2HG PRO 41 2HG PRO 41 -5.860 4.090 -10.976 258 2HD PRO 41 2HD PRO 41 -4.331 4.134 -9.258 259 H THR 42 H THR 42 -2.598 -0.720 -10.401 260 HA THR 42 HA THR 42 -0.485 -0.310 -11.988 261 HB THR 42 HB THR 42 -1.725 -3.054 -12.072 262 HG1 THR 42 HG1 THR 42 -0.863 -1.546 -9.703 263 1HG2 THR 42 1HG2 THR 42 0.948 -1.776 -11.578 264 2HG2 THR 42 2HG2 THR 42 0.584 -3.229 -10.618 265 3HG2 THR 42 3HG2 THR 42 0.565 -3.309 -12.397 266 H GLY 43 H GLY 43 0.194 -1.137 -14.125 267 1HA GLY 43 1HA GLY 43 -1.045 -0.021 -16.214 268 2HA GLY 43 2HA GLY 43 -0.121 -1.504 -16.343 269 H TYR 44 H TYR 44 -1.157 -3.449 -16.796 270 HA TYR 44 HA TYR 44 -3.970 -3.228 -17.436 271 2HB TYR 44 2HB TYR 44 -3.113 -4.665 -19.050 272 HD1 TYR 44 HD1 TYR 44 -1.212 -3.287 -19.788 273 HD2 TYR 44 HD2 TYR 44 -0.733 -6.298 -16.787 274 HE1 TYR 44 HE1 TYR 44 1.310 -3.188 -20.082 275 HE2 TYR 44 HE2 TYR 44 1.789 -6.190 -17.091 276 HH TYR 44 HH TYR 44 3.403 -5.498 -18.482 277 H GLY 45 H GLY 45 -4.699 -5.973 -17.088 278 1HA GLY 45 1HA GLY 45 -5.689 -5.929 -14.470 279 2HA GLY 45 2HA GLY 45 -5.675 -7.301 -15.561 280 H SER 46 H SER 46 -3.372 -5.366 -13.515 281 HA SER 46 HA SER 46 -1.656 -7.615 -13.270 282 2HB SER 46 2HB SER 46 -1.620 -5.013 -11.682 283 HG SER 46 HG SER 46 0.674 -5.477 -11.606 284 H SER 47 H SER 47 -3.568 -8.998 -12.428 285 HA SER 47 HA SER 47 -4.506 -8.422 -9.833 286 2HB SER 47 2HB SER 47 -4.620 -10.940 -11.547 287 HG SER 47 HG SER 47 -5.591 -11.922 -9.919 288 H SER 48 H SER 48 -2.238 -8.084 -8.906 289 HA SER 48 HA SER 48 -1.020 -10.657 -8.287 290 2HB SER 48 2HB SER 48 0.991 -9.197 -7.638 291 HG SER 48 HG SER 48 1.328 -8.563 -10.032 292 H ARG 49 H ARG 49 0.223 -10.468 -5.993 293 HA ARG 49 HA ARG 49 -1.485 -10.638 -4.040 294 2HB ARG 49 2HB ARG 49 0.609 -9.258 -2.751 295 2HG ARG 49 2HG ARG 49 -0.367 -11.900 -2.964 296 2HD ARG 49 2HD ARG 49 2.159 -12.909 -2.864 297 HE ARG 49 HE ARG 49 0.052 -12.985 -4.803 298 1HH1 ARG 49 1HH1 ARG 49 3.501 -13.627 -4.535 299 2HH1 ARG 49 2HH1 ARG 49 3.509 -14.812 -5.799 300 1HH2 ARG 49 1HH2 ARG 49 0.061 -14.549 -6.469 301 2HH2 ARG 49 2HH2 ARG 49 1.538 -15.340 -6.906 302 H ARG 50 H ARG 50 -3.132 -9.341 -3.291 303 HA ARG 50 HA ARG 50 -3.767 -6.928 -3.989 304 2HB ARG 50 2HB ARG 50 -5.226 -8.034 -2.458 305 2HG ARG 50 2HG ARG 50 -2.724 -8.311 -0.827 306 2HD ARG 50 2HD ARG 50 -5.240 -7.345 0.318 307 HE ARG 50 HE ARG 50 -4.544 -9.563 1.988 308 1HH1 ARG 50 2HH1 ARG 50 -6.234 -8.883 -1.022 309 2HH1 ARG 50 1HH1 ARG 50 -7.284 -10.253 -0.891 310 1HH2 ARG 50 1HH2 ARG 50 -5.928 -11.373 2.161 311 2HH2 ARG 50 2HH2 ARG 50 -7.109 -11.680 0.931 312 H ALA 51 H ALA 51 -2.312 -5.239 -4.328 313 HA ALA 51 HA ALA 51 -0.923 -4.267 -1.938 314 1HB ALA 51 1HB ALA 51 0.224 -4.784 -4.702 315 2HB ALA 51 2HB ALA 51 0.994 -3.685 -3.532 316 3HB ALA 51 3HB ALA 51 0.797 -5.409 -3.136 317 H CYS 52 H CYS 52 -3.020 -2.967 -1.997 318 HA CYS 52 HA CYS 52 -2.615 -0.418 -2.614 319 2HB CYS 52 2HB CYS 52 -2.308 -0.574 -4.912 320 HG CYS 52 HG CYS 52 -4.492 -1.857 -6.383 321 H GLN 53 H GLN 53 -5.112 -2.953 -3.386 322 HA GLN 53 HA GLN 53 -7.355 -1.647 -2.853 323 2HB GLN 53 2HB GLN 53 -6.678 -4.281 -3.200 324 2HG GLN 53 2HG GLN 53 -7.941 -4.049 -0.427 325 1HE2 GLN 53 2HE2 GLN 53 -8.661 -5.912 0.440 326 2HE2 GLN 53 1HE2 GLN 53 -8.807 -7.415 -0.408 327 H THR 54 H THR 54 -4.798 -2.357 -0.564 328 HA THR 54 HA THR 54 -6.469 -1.993 1.761 329 HB THR 54 HB THR 54 -3.481 -1.860 1.929 330 HG1 THR 54 HG1 THR 54 -3.271 -3.885 0.951 331 1HG2 THR 54 1HG2 THR 54 -5.672 -3.617 3.151 332 2HG2 THR 54 2HG2 THR 54 -3.937 -3.818 3.493 333 3HG2 THR 54 3HG2 THR 54 -4.771 -2.320 3.970 334 H GLY 55 H GLY 55 -6.656 0.152 -0.168 335 1HA GLY 55 1HA GLY 55 -5.506 2.370 -0.267 336 2HA GLY 55 2HA GLY 55 -7.066 2.387 0.530 337 H ILE 56 H ILE 56 -3.542 2.508 0.978 338 HA ILE 56 HA ILE 56 -3.479 2.432 3.761 339 HB ILE 56 HB ILE 56 -1.689 2.812 1.605 340 2HG1 ILE 56 2HG1 ILE 56 -1.014 2.541 4.543 341 1HG2 ILE 56 1HG2 ILE 56 -2.013 5.283 2.491 342 2HG2 ILE 56 2HG2 ILE 56 -0.883 4.728 3.751 343 3HG2 ILE 56 3HG2 ILE 56 -0.411 4.655 2.036 344 1HD1 ILE 56 1HD1 ILE 56 -2.667 0.833 2.916 345 2HD1 ILE 56 2HD1 ILE 56 -1.098 0.027 3.155 346 3HD1 ILE 56 3HD1 ILE 56 -2.060 0.537 4.563 347 H VAL 57 H VAL 57 -5.065 4.616 1.726 348 HA VAL 57 HA VAL 57 -4.862 6.729 3.760 349 HB VAL 57 HB VAL 57 -5.997 7.812 1.461 350 1HG1 VAL 57 1HG1 VAL 57 -4.401 8.862 3.062 351 2HG1 VAL 57 2HG1 VAL 57 -3.084 7.930 2.311 352 3HG1 VAL 57 3HG1 VAL 57 -3.975 9.140 1.358 353 1HG2 VAL 57 1HG2 VAL 57 -5.278 5.779 0.219 354 2HG2 VAL 57 2HG2 VAL 57 -4.494 7.268 -0.362 355 3HG2 VAL 57 3HG2 VAL 57 -3.593 6.134 0.672 356 H ASP 58 H ASP 58 -7.025 4.877 1.542 357 HA ASP 58 HA ASP 58 -9.305 5.990 2.888 358 2HB ASP 58 2HB ASP 58 -8.918 4.067 0.562 359 H GLU 59 H GLU 59 -7.260 3.095 2.774 360 HA GLU 59 HA GLU 59 -9.202 1.547 4.238 361 2HB GLU 59 2HB GLU 59 -6.420 0.538 3.714 362 2HG GLU 59 2HG GLU 59 -8.540 -1.143 2.750 363 H CYS 60 H CYS 60 -6.409 3.591 4.757 364 HA CYS 60 HA CYS 60 -5.785 2.423 7.307 365 2HB CYS 60 2HB CYS 60 -4.336 4.619 7.377 366 H CYS 61 H CYS 61 -7.394 5.337 5.905 367 HA CYS 61 HA CYS 61 -7.879 6.545 8.407 368 2HB CYS 61 2HB CYS 61 -9.743 7.671 6.823 369 H PHE 62 H PHE 62 -9.608 4.263 6.237 370 HA PHE 62 HA PHE 62 -11.957 4.312 7.912 371 2HB PHE 62 2HB PHE 62 -11.098 2.513 5.566 372 HD1 PHE 62 HD1 PHE 62 -14.032 4.150 7.209 373 HD2 PHE 62 HD2 PHE 62 -12.576 0.852 4.969 374 HE1 PHE 62 HE1 PHE 62 -16.294 3.069 7.332 375 HE2 PHE 62 HE2 PHE 62 -14.838 -0.229 5.091 376 HZ PHE 62 HZ PHE 62 -16.669 0.892 6.271 377 H ARG 63 H ARG 63 -9.386 1.943 6.930 378 HA ARG 63 HA ARG 63 -10.279 0.303 9.152 379 2HB ARG 63 2HB ARG 63 -8.199 -0.771 7.297 380 2HG ARG 63 2HG ARG 63 -10.936 -1.934 7.894 381 2HD ARG 63 2HD ARG 63 -8.419 -2.844 6.720 382 HE ARG 63 HE ARG 63 -7.742 -4.243 8.453 383 1HH1 ARG 63 1HH1 ARG 63 -11.248 -3.961 8.562 384 2HH1 ARG 63 2HH1 ARG 63 -11.425 -5.075 9.877 385 1HH2 ARG 63 1HH2 ARG 63 -7.974 -5.714 10.187 386 2HH2 ARG 63 2HH2 ARG 63 -9.550 -6.078 10.807 387 H SER 64 H SER 64 -9.193 1.341 10.903 388 HA SER 64 HA SER 64 -6.982 2.573 11.176 389 2HB SER 64 2HB SER 64 -8.167 1.886 13.147 390 HG SER 64 HG SER 64 -7.205 -0.716 13.350 391 H CYS 65 H CYS 65 -5.290 2.315 9.678 392 HA CYS 65 HA CYS 65 -3.806 -0.190 9.966 393 2HB CYS 65 2HB CYS 65 -5.158 0.575 7.662 394 H ASP 66 H ASP 66 -2.233 0.685 11.367 395 HA ASP 66 HA ASP 66 -1.270 3.258 11.176 396 2HB ASP 66 2HB ASP 66 0.532 2.483 12.658 397 H LEU 67 H LEU 67 1.648 1.759 11.325 398 HA LEU 67 HA LEU 67 2.229 2.332 8.539 399 2HB LEU 67 2HB LEU 67 4.505 2.406 9.194 400 HG LEU 67 HG LEU 67 2.604 4.000 10.622 401 1HD1 LEU 67 1HD1 LEU 67 3.550 2.702 12.594 402 2HD1 LEU 67 2HD1 LEU 67 5.090 3.534 12.270 403 3HD1 LEU 67 3HD1 LEU 67 3.639 4.477 12.683 404 1HD2 LEU 67 1HD2 LEU 67 4.716 4.389 8.948 405 2HD2 LEU 67 2HD2 LEU 67 3.909 5.670 9.885 406 3HD2 LEU 67 3HD2 LEU 67 5.401 4.921 10.503 407 H ARG 68 H ARG 68 1.484 -0.335 10.608 408 HA ARG 68 HA ARG 68 2.981 -2.360 9.913 409 2HB ARG 68 2HB ARG 68 0.588 -3.619 9.613 410 2HG ARG 68 2HG ARG 68 0.368 -3.526 12.141 411 2HD ARG 68 2HD ARG 68 2.851 -4.241 10.639 412 HE ARG 68 HE ARG 68 3.245 -3.191 13.196 413 1HH1 ARG 68 1HH1 ARG 68 3.629 -6.356 11.707 414 2HH1 ARG 68 2HH1 ARG 68 4.915 -6.837 12.762 415 1HH2 ARG 68 1HH2 ARG 68 4.942 -3.827 14.588 416 2HH2 ARG 68 2HH2 ARG 68 5.667 -5.389 14.412 417 H ARG 69 H ARG 69 0.473 -0.848 7.797 418 HA ARG 69 HA ARG 69 0.778 -2.723 5.746 419 2HB ARG 69 2HB ARG 69 -0.093 -0.064 4.834 420 2HG ARG 69 2HG ARG 69 -0.862 -2.050 3.686 421 2HD ARG 69 2HD ARG 69 -1.066 -3.106 6.403 422 HE ARG 69 HE ARG 69 -3.599 -2.650 5.490 423 1HH1 ARG 69 1HH1 ARG 69 -1.704 -5.606 5.719 424 2HH1 ARG 69 2HH1 ARG 69 -3.087 -6.628 5.933 425 1HH2 ARG 69 1HH2 ARG 69 -5.423 -3.997 5.771 426 2HH2 ARG 69 2HH2 ARG 69 -5.217 -5.706 5.962 427 H LEU 70 H LEU 70 2.186 0.522 6.454 428 HA LEU 70 HA LEU 70 3.396 1.140 4.123 429 2HB LEU 70 2HB LEU 70 3.594 1.882 6.837 430 HG LEU 70 HG LEU 70 5.795 0.840 7.013 431 1HD1 LEU 70 1HD1 LEU 70 6.036 1.479 4.296 432 2HD1 LEU 70 2HD1 LEU 70 7.255 2.474 5.127 433 3HD1 LEU 70 3HD1 LEU 70 7.251 0.708 5.343 434 1HD2 LEU 70 1HD2 LEU 70 5.312 3.712 7.181 435 2HD2 LEU 70 2HD2 LEU 70 6.114 2.612 8.327 436 3HD2 LEU 70 3HD2 LEU 70 7.036 3.316 6.978 437 H GLU 71 H GLU 71 4.474 -1.281 6.562 438 HA GLU 71 HA GLU 71 6.843 -1.839 5.124 439 2HB GLU 71 2HB GLU 71 6.068 -2.252 7.693 440 2HG GLU 71 2HG GLU 71 5.936 -5.009 6.388 441 H MET 72 H MET 72 3.542 -3.236 5.344 442 HA MET 72 HA MET 72 4.121 -5.562 3.932 443 2HB MET 72 2HB MET 72 1.424 -4.914 3.404 444 2HG MET 72 2HG MET 72 1.157 -6.095 5.804 445 1HE MET 72 1HE MET 72 3.894 -7.953 4.445 446 2HE MET 72 2HE MET 72 3.252 -9.102 3.247 447 3HE MET 72 3HE MET 72 3.656 -7.439 2.758 448 H TYR 73 H TYR 73 2.723 -2.382 2.875 449 HA TYR 73 HA TYR 73 2.753 -3.215 0.121 450 2HB TYR 73 2HB TYR 73 2.474 -0.390 1.264 451 HD1 TYR 73 HD1 TYR 73 2.708 -2.195 -1.587 452 HD2 TYR 73 HD2 TYR 73 -0.112 0.360 0.367 453 HE1 TYR 73 HE1 TYR 73 1.651 -1.636 -3.830 454 HE2 TYR 73 HE2 TYR 73 -1.160 0.911 -1.884 455 HH TYR 73 HH TYR 73 0.309 0.424 -4.721 456 H CYS 74 H CYS 74 4.898 -1.575 2.386 457 HA CYS 74 HA CYS 74 6.413 0.136 1.454 458 2HB CYS 74 2HB CYS 74 8.055 -2.325 1.538 459 H ALA 75 H ALA 75 4.985 -0.337 -0.848 460 HA ALA 75 HA ALA 75 6.452 -1.815 -2.778 461 1HB ALA 75 1HB ALA 75 3.902 -0.750 -2.541 462 2HB ALA 75 2HB ALA 75 4.657 0.304 -3.760 463 3HB ALA 75 3HB ALA 75 4.596 -1.455 -4.020 464 HA PRO 76 HA PRO 76 9.250 1.200 -4.110 465 2HB PRO 76 2HB PRO 76 10.248 -0.235 -5.609 466 2HG PRO 76 2HG PRO 76 8.894 -1.950 -6.349 467 2HD PRO 76 2HD PRO 76 7.402 -2.072 -4.604 468 H LEU 77 H LEU 77 9.576 2.672 -6.449 469 HA LEU 77 HA LEU 77 7.159 3.969 -7.100 470 2HB LEU 77 2HB LEU 77 8.720 6.001 -5.745 471 HG LEU 77 HG LEU 77 5.952 5.194 -4.914 472 1HD1 LEU 77 1HD1 LEU 77 7.634 7.258 -4.208 473 2HD1 LEU 77 2HD1 LEU 77 6.561 8.015 -5.409 474 3HD1 LEU 77 3HD1 LEU 77 5.870 7.218 -3.974 475 1HD2 LEU 77 1HD2 LEU 77 6.738 6.322 -7.582 476 2HD2 LEU 77 2HD2 LEU 77 5.511 5.098 -7.177 477 3HD2 LEU 77 3HD2 LEU 77 5.207 6.815 -6.820 478 H LYS 78 H LYS 78 8.092 3.382 -9.162 479 HA LYS 78 HA LYS 78 10.603 4.642 -9.846 480 2HB LYS 78 2HB LYS 78 9.115 3.357 -12.012 481 2HG LYS 78 2HG LYS 78 11.505 1.990 -11.093 482 2HD LYS 78 2HD LYS 78 12.183 3.539 -13.318 483 2HE LYS 78 2HE LYS 78 12.484 1.102 -13.178 484 1HZ LYS 78 1HZ LYS 78 9.791 1.149 -12.536 485 2HZ LYS 78 2HZ LYS 78 9.945 0.258 -13.896 486 3HZ LYS 78 3HZ LYS 78 10.795 -0.138 -12.559 487 HA PRO 79 HA PRO 79 8.822 8.115 -11.684 488 2HB PRO 79 2HB PRO 79 10.860 9.175 -11.843 489 2HG PRO 79 2HG PRO 79 12.682 7.761 -11.853 490 2HD PRO 79 2HD PRO 79 11.788 5.935 -10.782 491 H ALA 80 H ALA 80 6.933 8.021 -12.716 492 HA ALA 80 HA ALA 80 7.045 7.587 -15.533 493 1HB ALA 80 1HB ALA 80 5.809 5.487 -13.715 494 2HB ALA 80 2HB ALA 80 5.432 5.632 -15.448 495 3HB ALA 80 3HB ALA 80 7.092 5.257 -14.926 496 H LYS 81 H LYS 81 4.907 8.024 -16.537 497 HA LYS 81 HA LYS 81 2.650 8.678 -15.085 498 2HB LYS 81 2HB LYS 81 3.821 11.296 -15.843 499 2HG LYS 81 2HG LYS 81 2.762 11.148 -13.182 500 2HD LYS 81 2HD LYS 81 1.482 12.110 -15.785 501 2HE LYS 81 2HE LYS 81 0.341 11.910 -13.227 502 1HZ LYS 81 1HZ LYS 81 1.974 14.081 -13.176 503 2HZ LYS 81 2HZ LYS 81 0.497 14.712 -13.470 504 3HZ LYS 81 3HZ LYS 81 0.737 13.777 -12.153 505 H SER 82 H SER 82 3.439 7.302 -17.472 506 HA SER 82 HA SER 82 3.467 8.299 -19.814 507 2HB SER 82 2HB SER 82 1.079 6.524 -19.214 508 HG SER 82 HG SER 82 1.545 6.999 -21.449 509 H ALA 83 H ALA 83 2.472 9.831 -21.104 510 HA ALA 83 HA ALA 83 0.387 11.394 -19.953 511 1HB ALA 83 1HB ALA 83 2.209 12.351 -21.314 512 2HB ALA 83 2HB ALA 83 1.652 11.418 -22.724 513 3HB ALA 83 3HB ALA 83 0.621 12.696 -22.039 Start of MODEL 5 1 H MET 1 H MET 1 -3.169 13.898 -13.794 2 HA MET 1 HA MET 1 -0.973 13.757 -15.268 3 2HB MET 1 2HB MET 1 -1.030 12.146 -12.695 4 2HG MET 1 2HG MET 1 1.132 12.824 -13.849 5 1HE MET 1 1HE MET 1 1.954 13.911 -15.379 6 2HE MET 1 2HE MET 1 1.745 15.605 -15.883 7 3HE MET 1 3HE MET 1 2.965 15.186 -14.656 8 H PHE 2 H PHE 2 -2.125 12.150 -16.957 9 HA PHE 2 HA PHE 2 -2.097 10.211 -18.008 10 2HB PHE 2 2HB PHE 2 0.072 8.775 -17.197 11 HD1 PHE 2 HD1 PHE 2 -0.100 12.418 -18.034 12 HD2 PHE 2 HD2 PHE 2 1.297 8.563 -19.126 13 HE1 PHE 2 HE1 PHE 2 0.925 13.379 -20.115 14 HE2 PHE 2 HE2 PHE 2 2.321 9.523 -21.206 15 HZ PHE 2 HZ PHE 2 2.124 11.919 -21.675 16 HA PRO 3 HA PRO 3 -3.780 7.025 -15.604 17 2HB PRO 3 2HB PRO 3 -4.540 5.872 -17.446 18 2HG PRO 3 2HG PRO 3 -3.357 6.267 -19.386 19 2HD PRO 3 2HD PRO 3 -2.476 8.338 -18.912 20 H ALA 4 H ALA 4 -0.662 5.794 -16.739 21 HA ALA 4 HA ALA 4 0.081 3.968 -15.127 22 1HB ALA 4 1HB ALA 4 1.581 6.597 -15.454 23 2HB ALA 4 2HB ALA 4 2.311 5.099 -14.828 24 3HB ALA 4 3HB ALA 4 1.690 5.157 -16.495 25 H MET 5 H MET 5 1.020 7.108 -13.664 26 HA MET 5 HA MET 5 0.073 6.030 -11.141 27 2HB MET 5 2HB MET 5 1.576 7.911 -10.215 28 2HG MET 5 2HG MET 5 2.319 5.443 -10.820 29 1HE MET 5 1HE MET 5 2.509 3.992 -12.650 30 2HE MET 5 2HE MET 5 3.804 4.068 -13.869 31 3HE MET 5 3HE MET 5 4.215 3.982 -12.139 32 HA PRO 6 HA PRO 6 -3.008 9.075 -10.877 33 2HB PRO 6 2HB PRO 6 -4.090 7.947 -9.187 34 2HG PRO 6 2HG PRO 6 -2.755 6.492 -7.994 35 2HD PRO 6 2HD PRO 6 -1.117 6.070 -9.550 36 H LEU 7 H LEU 7 -3.573 10.994 -8.943 37 HA LEU 7 HA LEU 7 -1.196 12.518 -8.533 38 2HB LEU 7 2HB LEU 7 -3.099 13.252 -10.744 39 HG LEU 7 HG LEU 7 -2.032 15.134 -8.914 40 1HD1 LEU 7 1HD1 LEU 7 -0.263 14.683 -11.226 41 2HD1 LEU 7 2HD1 LEU 7 -0.762 16.374 -10.985 42 3HD1 LEU 7 3HD1 LEU 7 0.049 15.491 -9.670 43 1HD2 LEU 7 1HD2 LEU 7 -4.037 15.052 -10.694 44 2HD2 LEU 7 2HD2 LEU 7 -3.407 16.566 -10.001 45 3HD2 LEU 7 3HD2 LEU 7 -2.875 16.037 -11.614 46 H SER 8 H SER 8 -2.572 11.647 -6.523 47 HA SER 8 HA SER 8 -3.772 13.983 -5.489 48 2HB SER 8 2HB SER 8 -5.999 13.456 -5.463 49 HG SER 8 HG SER 8 -5.799 13.181 -7.663 50 H SER 9 H SER 9 -1.520 12.907 -4.573 51 HA SER 9 HA SER 9 -2.329 11.153 -2.390 52 2HB SER 9 2HB SER 9 -0.675 9.952 -3.520 53 HG SER 9 HG SER 9 0.406 12.534 -4.122 54 H LEU 10 H LEU 10 -3.072 13.628 -1.803 55 HA LEU 10 HA LEU 10 -1.961 14.373 0.473 56 2HB LEU 10 2HB LEU 10 -0.525 16.429 -0.621 57 HG LEU 10 HG LEU 10 0.215 13.876 0.689 58 1HD1 LEU 10 1HD1 LEU 10 1.876 14.986 -1.419 59 2HD1 LEU 10 2HD1 LEU 10 2.710 14.998 0.153 60 3HD1 LEU 10 3HD1 LEU 10 2.055 13.475 -0.494 61 1HD2 LEU 10 1HD2 LEU 10 -0.231 15.910 1.967 62 2HD2 LEU 10 2HD2 LEU 10 1.457 15.381 2.166 63 3HD2 LEU 10 3HD2 LEU 10 1.076 16.754 1.100 64 H PHE 11 H PHE 11 -4.425 14.380 -0.925 65 HA PHE 11 HA PHE 11 -5.329 16.959 -0.236 66 2HB PHE 11 2HB PHE 11 -5.541 16.187 -3.194 67 HD1 PHE 11 HD1 PHE 11 -4.555 19.354 -1.544 68 HD2 PHE 11 HD2 PHE 11 -7.582 17.265 -3.660 69 HE1 PHE 11 HE1 PHE 11 -5.849 21.490 -1.801 70 HE2 PHE 11 HE2 PHE 11 -8.877 19.400 -3.917 71 HZ PHE 11 HZ PHE 11 -7.995 21.488 -2.983 72 H VAL 12 H VAL 12 -5.778 13.947 0.071 73 HA VAL 12 HA VAL 12 -8.312 13.490 -1.187 74 HB VAL 12 HB VAL 12 -6.461 12.024 0.644 75 1HG1 VAL 12 1HG1 VAL 12 -9.413 11.465 0.324 76 2HG1 VAL 12 2HG1 VAL 12 -8.250 10.166 0.683 77 3HG1 VAL 12 3HG1 VAL 12 -8.438 11.529 1.812 78 1HG2 VAL 12 1HG2 VAL 12 -6.606 12.042 -2.006 79 2HG2 VAL 12 2HG2 VAL 12 -6.220 10.556 -1.106 80 3HG2 VAL 12 3HG2 VAL 12 -7.872 10.827 -1.711 81 H ASN 13 H ASN 13 -7.166 13.901 2.242 82 HA ASN 13 HA ASN 13 -9.914 14.523 2.921 83 2HB ASN 13 2HB ASN 13 -7.826 14.456 5.065 84 1HD2 ASN 13 2HD2 ASN 13 -8.809 14.209 6.933 85 2HD2 ASN 13 1HD2 ASN 13 -10.441 13.692 7.189 86 H GLY 14 H GLY 14 -7.315 16.130 1.724 87 1HA GLY 14 1HA GLY 14 -7.733 18.610 1.816 88 2HA GLY 14 2HA GLY 14 -7.547 18.443 3.550 89 HA PRO 15 HA PRO 15 -3.375 19.261 2.183 90 2HB PRO 15 2HB PRO 15 -3.334 21.457 2.876 91 2HG PRO 15 2HG PRO 15 -5.112 22.081 4.206 92 2HD PRO 15 2HD PRO 15 -6.676 20.528 3.551 93 H ARG 16 H ARG 16 -1.178 19.263 3.681 94 HA ARG 16 HA ARG 16 -0.618 16.736 4.081 95 2HB ARG 16 2HB ARG 16 0.658 17.961 6.296 96 2HG ARG 16 2HG ARG 16 1.461 17.941 3.347 97 2HD ARG 16 2HD ARG 16 3.799 17.972 4.303 98 HE ARG 16 HE ARG 16 3.242 20.191 3.685 99 1HH1 ARG 16 1HH1 ARG 16 1.867 19.394 6.825 100 2HH1 ARG 16 2HH1 ARG 16 1.455 21.033 7.202 101 1HH2 ARG 16 1HH2 ARG 16 2.698 22.353 4.184 102 2HH2 ARG 16 2HH2 ARG 16 1.930 22.728 5.690 103 H THR 17 H THR 17 -2.707 18.722 6.126 104 HA THR 17 HA THR 17 -2.632 16.950 8.384 105 HB THR 17 HB THR 17 -3.150 19.554 8.176 106 HG1 THR 17 HG1 THR 17 -4.619 17.510 9.681 107 1HG2 THR 17 1HG2 THR 17 -5.202 19.043 6.644 108 2HG2 THR 17 2HG2 THR 17 -5.970 18.392 8.111 109 3HG2 THR 17 3HG2 THR 17 -5.487 20.103 8.045 110 H LEU 18 H LEU 18 -3.535 16.204 5.407 111 HA LEU 18 HA LEU 18 -6.180 15.203 5.995 112 2HB LEU 18 2HB LEU 18 -5.345 16.197 3.784 113 HG LEU 18 HG LEU 18 -4.600 13.344 3.157 114 1HD1 LEU 18 1HD1 LEU 18 -5.432 15.219 1.481 115 2HD1 LEU 18 2HD1 LEU 18 -3.726 15.720 1.572 116 3HD1 LEU 18 3HD1 LEU 18 -4.142 14.073 1.042 117 1HD2 LEU 18 1HD2 LEU 18 -2.929 14.116 4.750 118 2HD2 LEU 18 2HD2 LEU 18 -2.236 14.011 3.114 119 3HD2 LEU 18 3HD2 LEU 18 -2.674 15.596 3.796 120 H CYS 19 H CYS 19 -6.203 12.721 4.742 121 HA CYS 19 HA CYS 19 -4.557 11.207 6.622 122 2HB CYS 19 2HB CYS 19 -6.622 9.703 5.224 123 H GLY 20 H GLY 20 -3.617 12.435 4.051 124 1HA GLY 20 1HA GLY 20 -2.893 9.935 2.647 125 2HA GLY 20 2HA GLY 20 -3.341 11.394 1.784 126 H ALA 21 H ALA 21 -1.866 12.511 4.565 127 HA ALA 21 HA ALA 21 0.679 12.783 3.148 128 1HB ALA 21 1HB ALA 21 -0.963 14.453 4.971 129 2HB ALA 21 2HB ALA 21 0.790 14.503 5.273 130 3HB ALA 21 3HB ALA 21 0.152 14.935 3.669 131 H GLU 22 H GLU 22 -0.907 11.176 5.800 132 HA GLU 22 HA GLU 22 1.523 10.860 7.281 133 2HB GLU 22 2HB GLU 22 -1.249 9.641 7.653 134 2HG GLU 22 2HG GLU 22 1.112 8.687 8.740 135 H LEU 23 H LEU 23 -0.877 8.362 6.190 136 HA LEU 23 HA LEU 23 0.766 6.226 6.207 137 2HB LEU 23 2HB LEU 23 -0.778 5.691 4.028 138 HG LEU 23 HG LEU 23 -2.675 5.260 5.834 139 1HD1 LEU 23 1HD1 LEU 23 -0.276 3.799 4.996 140 2HD1 LEU 23 2HD1 LEU 23 -0.944 3.249 6.551 141 3HD1 LEU 23 3HD1 LEU 23 -1.972 3.271 5.098 142 1HD2 LEU 23 1HD2 LEU 23 -0.753 6.550 7.416 143 2HD2 LEU 23 2HD2 LEU 23 -2.202 5.672 7.963 144 3HD2 LEU 23 3HD2 LEU 23 -0.640 4.826 7.843 145 H VAL 24 H VAL 24 0.816 8.955 3.976 146 HA VAL 24 HA VAL 24 2.337 7.619 1.973 147 HB VAL 24 HB VAL 24 0.946 9.456 1.375 148 1HG1 VAL 24 1HG1 VAL 24 2.490 11.018 3.462 149 2HG1 VAL 24 2HG1 VAL 24 1.489 11.793 2.210 150 3HG1 VAL 24 3HG1 VAL 24 0.740 10.695 3.394 151 1HG2 VAL 24 1HG2 VAL 24 3.405 9.170 0.432 152 2HG2 VAL 24 2HG2 VAL 24 2.381 10.542 -0.058 153 3HG2 VAL 24 3HG2 VAL 24 3.635 10.766 1.186 154 H ASP 25 H ASP 25 3.043 9.787 4.773 155 HA ASP 25 HA ASP 25 5.770 9.952 4.209 156 2HB ASP 25 2HB ASP 25 5.462 10.233 7.004 157 H ALA 26 H ALA 26 3.668 7.570 5.755 158 HA ALA 26 HA ALA 26 5.531 6.310 7.418 159 1HB ALA 26 1HB ALA 26 2.918 5.574 6.106 160 2HB ALA 26 2HB ALA 26 3.864 4.322 6.947 161 3HB ALA 26 3HB ALA 26 3.304 5.761 7.834 162 H LEU 27 H LEU 27 4.382 5.430 4.078 163 HA LEU 27 HA LEU 27 6.307 3.407 3.770 164 2HB LEU 27 2HB LEU 27 5.557 3.284 1.525 165 HG LEU 27 HG LEU 27 3.629 3.416 3.621 166 1HD1 LEU 27 1HD1 LEU 27 2.960 5.480 2.137 167 2HD1 LEU 27 2HD1 LEU 27 2.283 4.225 1.071 168 3HD1 LEU 27 3HD1 LEU 27 1.724 4.360 2.757 169 1HD2 LEU 27 1HD2 LEU 27 4.429 1.587 1.853 170 2HD2 LEU 27 2HD2 LEU 27 2.846 1.508 2.665 171 3HD2 LEU 27 3HD2 LEU 27 2.966 2.148 1.008 172 H GLN 28 H GLN 28 6.372 6.915 3.418 173 HA GLN 28 HA GLN 28 8.693 6.889 1.783 174 2HB GLN 28 2HB GLN 28 8.033 9.348 3.337 175 2HG GLN 28 2HG GLN 28 7.803 9.405 0.410 176 1HE2 GLN 28 2HE2 GLN 28 9.829 9.970 3.273 177 2HE2 GLN 28 1HE2 GLN 28 10.152 11.648 2.993 178 H PHE 29 H PHE 29 8.081 6.274 5.080 179 HA PHE 29 HA PHE 29 10.670 7.317 5.924 180 2HB PHE 29 2HB PHE 29 8.022 6.834 7.051 181 HD1 PHE 29 HD1 PHE 29 11.228 6.118 8.821 182 HD2 PHE 29 HD2 PHE 29 7.242 4.893 8.035 183 HE1 PHE 29 HE1 PHE 29 11.473 4.254 10.485 184 HE2 PHE 29 HE2 PHE 29 7.487 3.030 9.698 185 HZ PHE 29 HZ PHE 29 9.599 2.732 10.903 186 H VAL 30 H VAL 30 8.761 4.257 5.683 187 HA VAL 30 HA VAL 30 11.185 2.780 6.385 188 HB VAL 30 HB VAL 30 8.306 2.411 6.716 189 1HG1 VAL 30 1HG1 VAL 30 9.965 0.049 5.768 190 2HG1 VAL 30 2HG1 VAL 30 8.332 -0.048 6.471 191 3HG1 VAL 30 3HG1 VAL 30 8.585 0.785 4.918 192 1HG2 VAL 30 1HG2 VAL 30 10.438 2.437 8.357 193 2HG2 VAL 30 2HG2 VAL 30 8.923 1.586 8.746 194 3HG2 VAL 30 3HG2 VAL 30 10.308 0.683 8.084 195 H CYS 31 H CYS 31 8.701 3.237 3.819 196 HA CYS 31 HA CYS 31 9.743 1.251 2.131 197 2HB CYS 31 2HB CYS 31 8.426 3.461 0.756 198 H GLY 32 H GLY 32 10.564 4.616 2.886 199 1HA GLY 32 1HA GLY 32 12.919 5.144 2.388 200 2HA GLY 32 2HA GLY 32 12.626 4.559 0.762 201 H ASP 33 H ASP 33 13.037 7.341 2.445 202 HA ASP 33 HA ASP 33 11.198 9.098 2.245 203 2HB ASP 33 2HB ASP 33 12.811 10.778 1.606 204 H ARG 34 H ARG 34 12.535 7.320 -0.532 205 HA ARG 34 HA ARG 34 11.842 8.857 -2.618 206 2HB ARG 34 2HB ARG 34 11.403 6.588 -3.818 207 2HG ARG 34 2HG ARG 34 13.837 5.775 -3.177 208 2HD ARG 34 2HD ARG 34 12.875 7.576 -5.032 209 HE ARG 34 HE ARG 34 13.510 9.690 -4.283 210 1HH1 ARG 34 1HH1 ARG 34 15.945 7.362 -3.264 211 2HH1 ARG 34 2HH1 ARG 34 17.000 8.564 -2.599 212 1HH2 ARG 34 1HH2 ARG 34 14.902 11.276 -3.406 213 2HH2 ARG 34 2HH2 ARG 34 16.403 10.805 -2.680 214 H GLY 35 H GLY 35 9.736 7.363 -0.277 215 1HA GLY 35 1HA GLY 35 7.504 7.485 0.003 216 2HA GLY 35 2HA GLY 35 7.418 8.588 -1.357 217 H PHE 36 H PHE 36 5.918 5.973 -0.407 218 HA PHE 36 HA PHE 36 6.213 4.500 -2.922 219 2HB PHE 36 2HB PHE 36 5.198 3.908 -0.093 220 HD1 PHE 36 HD1 PHE 36 2.857 3.376 -0.718 221 HD2 PHE 36 HD2 PHE 36 6.139 1.275 -2.397 222 HE1 PHE 36 HE1 PHE 36 1.307 1.546 -1.459 223 HE2 PHE 36 HE2 PHE 36 4.589 -0.555 -3.138 224 HZ PHE 36 HZ PHE 36 2.191 -0.397 -2.660 225 H TYR 37 H TYR 37 4.618 4.632 -4.431 226 HA TYR 37 HA TYR 37 2.490 6.369 -4.186 227 2HB TYR 37 2HB TYR 37 3.726 4.730 -6.087 228 HD1 TYR 37 HD1 TYR 37 3.588 2.305 -5.570 229 HD2 TYR 37 HD2 TYR 37 0.115 4.575 -6.614 230 HE1 TYR 37 HE1 TYR 37 2.314 0.155 -6.038 231 HE2 TYR 37 HE2 TYR 37 -1.147 2.417 -7.078 232 HH TYR 37 HH TYR 37 -0.886 0.231 -7.467 233 H PHE 38 H PHE 38 0.754 6.289 -2.853 234 HA PHE 38 HA PHE 38 0.006 4.183 -1.319 235 2HB PHE 38 2HB PHE 38 -2.380 5.478 -1.793 236 HD1 PHE 38 HD1 PHE 38 -0.057 4.727 0.291 237 HD2 PHE 38 HD2 PHE 38 -1.995 8.311 -0.898 238 HE1 PHE 38 HE1 PHE 38 0.439 5.738 2.534 239 HE2 PHE 38 HE2 PHE 38 -1.498 9.322 1.345 240 HZ PHE 38 HZ PHE 38 -0.287 8.025 3.034 241 H ASN 39 H ASN 39 -2.616 5.114 -3.484 242 HA ASN 39 HA ASN 39 -2.782 2.321 -4.267 243 2HB ASN 39 2HB ASN 39 -5.146 3.802 -5.012 244 1HD2 ASN 39 2HD2 ASN 39 -4.140 1.192 -4.984 245 2HD2 ASN 39 1HD2 ASN 39 -5.095 0.209 -3.925 246 H LYS 40 H LYS 40 -4.456 2.531 -6.522 247 HA LYS 40 HA LYS 40 -2.705 3.950 -8.387 248 2HB LYS 40 2HB LYS 40 -3.215 1.395 -8.481 249 2HG LYS 40 2HG LYS 40 -5.844 2.355 -8.682 250 2HD LYS 40 2HD LYS 40 -5.468 3.091 -11.008 251 2HE LYS 40 2HE LYS 40 -5.084 0.452 -12.203 252 1HZ LYS 40 1HZ LYS 40 -4.499 3.033 -12.735 253 2HZ LYS 40 2HZ LYS 40 -3.026 2.373 -12.494 254 3HZ LYS 40 3HZ LYS 40 -4.025 1.747 -13.623 255 HA PRO 41 HA PRO 41 -5.860 6.667 -9.525 256 2HB PRO 41 2HB PRO 41 -4.546 7.740 -11.081 257 2HG PRO 41 2HG PRO 41 -2.850 6.448 -11.964 258 2HD PRO 41 2HD PRO 41 -2.583 4.914 -10.272 259 H THR 42 H THR 42 -7.698 5.571 -8.805 260 HA THR 42 HA THR 42 -8.959 3.530 -10.003 261 HB THR 42 HB THR 42 -10.123 4.220 -8.130 262 HG1 THR 42 HG1 THR 42 -11.878 4.442 -9.518 263 1HG2 THR 42 1HG2 THR 42 -9.268 7.002 -9.006 264 2HG2 THR 42 2HG2 THR 42 -10.606 6.812 -7.847 265 3HG2 THR 42 3HG2 THR 42 -8.986 6.190 -7.446 266 H GLY 43 H GLY 43 -11.032 3.511 -11.341 267 1HA GLY 43 1HA GLY 43 -10.627 3.973 -13.922 268 2HA GLY 43 2HA GLY 43 -12.211 4.127 -13.191 269 H TYR 44 H TYR 44 -13.078 6.223 -12.681 270 HA TYR 44 HA TYR 44 -11.438 8.523 -13.365 271 2HB TYR 44 2HB TYR 44 -14.232 8.145 -14.543 272 HD1 TYR 44 HD1 TYR 44 -10.807 8.976 -15.840 273 HD2 TYR 44 HD2 TYR 44 -14.836 10.282 -15.230 274 HE1 TYR 44 HE1 TYR 44 -10.304 11.134 -17.086 275 HE2 TYR 44 HE2 TYR 44 -14.320 12.435 -16.478 276 HH TYR 44 HH TYR 44 -12.657 13.128 -18.258 277 H GLY 45 H GLY 45 -13.388 10.489 -13.364 278 1HA GLY 45 1HA GLY 45 -13.807 11.168 -10.815 279 2HA GLY 45 2HA GLY 45 -14.927 11.579 -12.099 280 H SER 46 H SER 46 -16.773 10.123 -12.548 281 HA SER 46 HA SER 46 -17.664 8.948 -10.081 282 2HB SER 46 2HB SER 46 -19.169 9.227 -12.717 283 HG SER 46 HG SER 46 -20.718 9.539 -10.531 284 H SER 47 H SER 47 -15.927 7.189 -10.354 285 HA SER 47 HA SER 47 -17.201 4.898 -11.395 286 2HB SER 47 2HB SER 47 -14.876 4.468 -12.765 287 HG SER 47 HG SER 47 -17.420 5.507 -13.522 288 H SER 48 H SER 48 -16.811 3.485 -9.733 289 HA SER 48 HA SER 48 -14.092 3.453 -8.691 290 2HB SER 48 2HB SER 48 -15.294 2.823 -6.434 291 HG SER 48 HG SER 48 -15.026 5.419 -7.614 292 H ARG 49 H ARG 49 -13.231 1.376 -8.404 293 HA ARG 49 HA ARG 49 -15.001 -0.843 -8.258 294 2HB ARG 49 2HB ARG 49 -13.716 -1.949 -10.280 295 2HG ARG 49 2HG ARG 49 -16.195 -0.754 -10.068 296 2HD ARG 49 2HD ARG 49 -15.802 1.354 -11.029 297 HE ARG 49 HE ARG 49 -13.692 1.601 -11.986 298 1HH1 ARG 49 1HH1 ARG 49 -15.199 -1.277 -13.338 299 2HH1 ARG 49 2HH1 ARG 49 -13.905 -1.591 -14.445 300 1HH2 ARG 49 1HH2 ARG 49 -11.985 1.188 -13.447 301 2HH2 ARG 49 2HH2 ARG 49 -12.064 -0.179 -14.508 302 H ARG 50 H ARG 50 -13.685 -2.950 -7.988 303 HA ARG 50 HA ARG 50 -11.987 -2.864 -6.017 304 2HB ARG 50 2HB ARG 50 -11.032 -5.034 -6.814 305 2HG ARG 50 2HG ARG 50 -13.751 -4.459 -6.405 306 2HD ARG 50 2HD ARG 50 -13.995 -4.683 -8.951 307 HE ARG 50 HE ARG 50 -12.489 -7.046 -8.559 308 1HH1 ARG 50 1HH1 ARG 50 -15.498 -6.105 -10.121 309 2HH1 ARG 50 2HH1 ARG 50 -15.418 -7.356 -11.317 310 1HH2 ARG 50 1HH2 ARG 50 -12.382 -8.696 -10.137 311 2HH2 ARG 50 2HH2 ARG 50 -13.633 -8.839 -11.326 312 H ALA 51 H ALA 51 -10.399 -1.245 -5.856 313 HA ALA 51 HA ALA 51 -8.104 -1.589 -7.603 314 1HB ALA 51 1HB ALA 51 -9.469 0.118 -8.736 315 2HB ALA 51 2HB ALA 51 -9.553 1.065 -7.232 316 3HB ALA 51 3HB ALA 51 -7.992 0.844 -8.057 317 H CYS 52 H CYS 52 -9.502 0.558 -5.015 318 HA CYS 52 HA CYS 52 -6.936 0.574 -3.710 319 2HB CYS 52 2HB CYS 52 -8.093 2.670 -3.752 320 HG CYS 52 HG CYS 52 -10.494 0.649 -3.146 321 H GLN 53 H GLN 53 -7.141 -1.921 -3.521 322 HA GLN 53 HA GLN 53 -9.083 -3.079 -1.965 323 2HB GLN 53 2HB GLN 53 -6.212 -3.830 -2.597 324 2HG GLN 53 2HG GLN 53 -7.973 -4.959 -0.520 325 1HE2 GLN 53 2HE2 GLN 53 -5.715 -7.190 -1.412 326 2HE2 GLN 53 1HE2 GLN 53 -6.706 -8.368 -2.208 327 H THR 54 H THR 54 -5.642 -2.582 -0.891 328 HA THR 54 HA THR 54 -6.660 -2.287 1.841 329 HB THR 54 HB THR 54 -3.753 -2.434 1.519 330 HG1 THR 54 HG1 THR 54 -4.053 -4.708 0.569 331 1HG2 THR 54 1HG2 THR 54 -5.435 -3.289 3.427 332 2HG2 THR 54 2HG2 THR 54 -5.492 -4.747 2.409 333 3HG2 THR 54 3HG2 THR 54 -3.940 -4.191 3.078 334 H GLY 55 H GLY 55 -6.834 -0.177 -0.318 335 1HA GLY 55 1HA GLY 55 -5.342 1.856 -0.553 336 2HA GLY 55 2HA GLY 55 -6.900 2.114 0.205 337 H ILE 56 H ILE 56 -3.402 1.898 0.698 338 HA ILE 56 HA ILE 56 -3.344 1.892 3.476 339 HB ILE 56 HB ILE 56 -1.533 2.047 1.330 340 2HG1 ILE 56 2HG1 ILE 56 -1.008 1.854 4.311 341 1HG2 ILE 56 1HG2 ILE 56 -1.600 4.544 1.829 342 2HG2 ILE 56 2HG2 ILE 56 -0.813 4.148 3.375 343 3HG2 ILE 56 3HG2 ILE 56 -0.003 3.760 1.839 344 1HD1 ILE 56 1HD1 ILE 56 -2.252 0.035 2.342 345 2HD1 ILE 56 2HD1 ILE 56 -0.842 -0.677 3.163 346 3HD1 ILE 56 3HD1 ILE 56 -2.215 -0.069 4.119 347 H VAL 57 H VAL 57 -4.776 4.139 1.404 348 HA VAL 57 HA VAL 57 -4.386 6.287 3.370 349 HB VAL 57 HB VAL 57 -5.548 7.212 0.934 350 1HG1 VAL 57 1HG1 VAL 57 -2.915 7.652 2.362 351 2HG1 VAL 57 2HG1 VAL 57 -3.354 8.519 0.871 352 3HG1 VAL 57 3HG1 VAL 57 -4.352 8.702 2.333 353 1HG2 VAL 57 1HG2 VAL 57 -3.059 5.515 0.574 354 2HG2 VAL 57 2HG2 VAL 57 -4.633 5.323 -0.234 355 3HG2 VAL 57 3HG2 VAL 57 -3.614 6.736 -0.597 356 H ASP 58 H ASP 58 -6.744 4.569 1.238 357 HA ASP 58 HA ASP 58 -8.892 5.849 2.655 358 2HB ASP 58 2HB ASP 58 -9.047 3.669 0.527 359 H GLU 59 H GLU 59 -7.140 2.755 2.376 360 HA GLU 59 HA GLU 59 -9.124 1.352 3.899 361 2HB GLU 59 2HB GLU 59 -6.386 0.238 3.277 362 2HG GLU 59 2HG GLU 59 -8.509 -1.492 2.531 363 H CYS 60 H CYS 60 -6.239 3.244 4.430 364 HA CYS 60 HA CYS 60 -5.642 2.008 6.952 365 2HB CYS 60 2HB CYS 60 -4.527 4.616 5.938 366 H CYS 61 H CYS 61 -6.761 5.261 5.751 367 HA CYS 61 HA CYS 61 -7.273 6.379 8.197 368 2HB CYS 61 2HB CYS 61 -9.180 7.025 6.023 369 H PHE 62 H PHE 62 -9.260 4.206 6.118 370 HA PHE 62 HA PHE 62 -11.520 4.356 7.863 371 2HB PHE 62 2HB PHE 62 -10.672 2.439 5.608 372 HD1 PHE 62 HD1 PHE 62 -13.597 3.851 7.445 373 HD2 PHE 62 HD2 PHE 62 -12.086 0.702 5.036 374 HE1 PHE 62 HE1 PHE 62 -15.757 2.604 7.722 375 HE2 PHE 62 HE2 PHE 62 -14.246 -0.546 5.313 376 HZ PHE 62 HZ PHE 62 -16.056 0.420 6.654 377 H ARG 63 H ARG 63 -8.827 2.041 7.218 378 HA ARG 63 HA ARG 63 -9.801 0.525 9.502 379 2HB ARG 63 2HB ARG 63 -7.685 -0.669 7.755 380 2HG ARG 63 2HG ARG 63 -10.390 -1.678 8.759 381 2HD ARG 63 2HD ARG 63 -7.984 -3.093 7.513 382 HE ARG 63 HE ARG 63 -8.732 -4.769 8.987 383 1HH1 ARG 63 1HH1 ARG 63 -11.489 -3.217 7.446 384 2HH1 ARG 63 2HH1 ARG 63 -12.631 -4.383 8.025 385 1HH2 ARG 63 1HH2 ARG 63 -10.239 -6.307 9.751 386 2HH2 ARG 63 2HH2 ARG 63 -11.915 -6.152 9.346 387 H SER 64 H SER 64 -8.745 1.602 11.221 388 HA SER 64 HA SER 64 -6.510 2.897 11.370 389 2HB SER 64 2HB SER 64 -6.158 1.376 13.631 390 HG SER 64 HG SER 64 -7.709 3.598 12.923 391 H CYS 65 H CYS 65 -4.745 2.449 10.028 392 HA CYS 65 HA CYS 65 -3.413 -0.102 10.570 393 2HB CYS 65 2HB CYS 65 -4.581 0.261 8.246 394 H ASP 66 H ASP 66 -1.819 0.643 11.987 395 HA ASP 66 HA ASP 66 -0.753 3.141 12.001 396 2HB ASP 66 2HB ASP 66 1.109 2.150 13.299 397 H LEU 67 H LEU 67 2.117 1.485 11.869 398 HA LEU 67 HA LEU 67 2.651 2.417 9.168 399 2HB LEU 67 2HB LEU 67 5.027 1.982 9.844 400 HG LEU 67 HG LEU 67 4.072 3.701 12.051 401 1HD1 LEU 67 1HD1 LEU 67 6.431 3.547 11.286 402 2HD1 LEU 67 2HD1 LEU 67 5.938 4.255 9.730 403 3HD1 LEU 67 3HD1 LEU 67 5.768 5.198 11.230 404 1HD2 LEU 67 1HD2 LEU 67 3.328 4.292 9.179 405 2HD2 LEU 67 2HD2 LEU 67 2.253 4.183 10.594 406 3HD2 LEU 67 3HD2 LEU 67 3.410 5.529 10.458 407 H ARG 68 H ARG 68 2.269 -0.531 11.093 408 HA ARG 68 HA ARG 68 3.622 -2.373 9.800 409 2HB ARG 68 2HB ARG 68 0.748 -3.129 10.070 410 2HG ARG 68 2HG ARG 68 2.493 -4.299 12.039 411 2HD ARG 68 2HD ARG 68 0.972 -5.148 9.589 412 HE ARG 68 HE ARG 68 3.451 -6.443 10.321 413 1HH1 ARG 68 1HH1 ARG 68 0.135 -7.133 9.372 414 2HH1 ARG 68 2HH1 ARG 68 0.514 -8.683 8.698 415 1HH2 ARG 68 1HH2 ARG 68 3.954 -8.487 9.432 416 2HH2 ARG 68 2HH2 ARG 68 2.702 -9.458 8.732 417 H ARG 69 H ARG 69 0.565 -0.835 8.635 418 HA ARG 69 HA ARG 69 0.308 -2.454 6.393 419 2HB ARG 69 2HB ARG 69 -0.864 0.029 5.734 420 2HG ARG 69 2HG ARG 69 -2.964 -1.024 6.472 421 2HD ARG 69 2HD ARG 69 -1.111 -3.237 5.481 422 HE ARG 69 HE ARG 69 -3.872 -2.860 4.504 423 1HH1 ARG 69 1HH1 ARG 69 -1.752 -4.537 6.759 424 2HH1 ARG 69 2HH1 ARG 69 -2.862 -5.839 7.031 425 1HH2 ARG 69 1HH2 ARG 69 -5.335 -4.578 4.864 426 2HH2 ARG 69 2HH2 ARG 69 -4.913 -5.862 5.946 427 H LEU 70 H LEU 70 1.875 0.749 6.980 428 HA LEU 70 HA LEU 70 2.438 1.534 4.447 429 2HB LEU 70 2HB LEU 70 3.027 2.436 6.889 430 HG LEU 70 HG LEU 70 5.033 0.862 7.061 431 1HD1 LEU 70 1HD1 LEU 70 5.590 1.780 4.516 432 2HD1 LEU 70 2HD1 LEU 70 6.748 2.669 5.535 433 3HD1 LEU 70 3HD1 LEU 70 6.702 0.890 5.583 434 1HD2 LEU 70 1HD2 LEU 70 4.592 3.080 8.307 435 2HD2 LEU 70 2HD2 LEU 70 6.235 2.398 8.328 436 3HD2 LEU 70 3HD2 LEU 70 5.848 3.754 7.241 437 H GLU 71 H GLU 71 4.041 -1.027 6.383 438 HA GLU 71 HA GLU 71 6.011 -1.421 4.364 439 2HB GLU 71 2HB GLU 71 5.826 -3.657 6.183 440 2HG GLU 71 2HG GLU 71 7.881 -1.941 7.044 441 H MET 72 H MET 72 2.814 -2.683 5.211 442 HA MET 72 HA MET 72 2.961 -5.115 3.923 443 2HB MET 72 2HB MET 72 0.321 -4.326 3.587 444 2HG MET 72 2HG MET 72 0.194 -4.947 6.199 445 1HE MET 72 1HE MET 72 1.632 -7.429 6.611 446 2HE MET 72 2HE MET 72 0.461 -8.677 6.125 447 3HE MET 72 3HE MET 72 1.978 -8.477 5.215 448 H TYR 73 H TYR 73 1.978 -1.851 2.698 449 HA TYR 73 HA TYR 73 1.554 -2.902 0.047 450 2HB TYR 73 2HB TYR 73 1.657 -0.076 0.026 451 HD1 TYR 73 HD1 TYR 73 -0.248 -3.120 0.553 452 HD2 TYR 73 HD2 TYR 73 -0.568 1.091 -0.137 453 HE1 TYR 73 HE1 TYR 73 -2.672 -3.413 -0.156 454 HE2 TYR 73 HE2 TYR 73 -2.990 0.783 -0.844 455 HH TYR 73 HH TYR 73 -4.384 -0.998 -1.760 456 H CYS 74 H CYS 74 4.220 -1.716 1.934 457 HA CYS 74 HA CYS 74 5.735 -0.288 0.248 458 2HB CYS 74 2HB CYS 74 7.483 -2.212 1.391 459 H ALA 75 H ALA 75 4.316 -1.742 -1.603 460 HA ALA 75 HA ALA 75 5.282 -4.116 -2.521 461 1HB ALA 75 1HB ALA 75 3.445 -2.272 -3.340 462 2HB ALA 75 2HB ALA 75 4.693 -2.068 -4.593 463 3HB ALA 75 3HB ALA 75 3.958 -3.667 -4.321 464 HA PRO 76 HA PRO 76 9.148 -3.382 -4.338 465 2HB PRO 76 2HB PRO 76 9.258 -5.451 -5.344 466 2HG PRO 76 2HG PRO 76 7.211 -6.383 -5.855 467 2HD PRO 76 2HD PRO 76 5.875 -5.295 -4.333 468 H LEU 77 H LEU 77 10.538 -2.497 -6.207 469 HA LEU 77 HA LEU 77 10.092 0.095 -6.514 470 2HB LEU 77 2HB LEU 77 11.072 -0.594 -9.011 471 HG LEU 77 HG LEU 77 12.191 0.326 -6.496 472 1HD1 LEU 77 1HD1 LEU 77 13.507 -1.973 -7.740 473 2HD1 LEU 77 2HD1 LEU 77 14.567 -0.552 -7.584 474 3HD1 LEU 77 3HD1 LEU 77 13.760 -1.222 -6.146 475 1HD2 LEU 77 1HD2 LEU 77 12.403 0.846 -9.387 476 2HD2 LEU 77 2HD2 LEU 77 12.383 1.972 -8.008 477 3HD2 LEU 77 3HD2 LEU 77 13.894 1.149 -8.463 478 H LYS 78 H LYS 78 8.841 1.528 -7.695 479 HA LYS 78 HA LYS 78 6.715 0.255 -9.269 480 2HB LYS 78 2HB LYS 78 6.281 3.015 -8.346 481 2HG LYS 78 2HG LYS 78 4.360 1.137 -7.371 482 2HD LYS 78 2HD LYS 78 4.506 3.127 -9.654 483 2HE LYS 78 2HE LYS 78 2.538 0.927 -9.292 484 1HZ LYS 78 1HZ LYS 78 1.744 3.559 -8.834 485 2HZ LYS 78 2HZ LYS 78 1.109 3.070 -10.257 486 3HZ LYS 78 3HZ LYS 78 0.818 2.215 -8.897 487 HA PRO 79 HA PRO 79 8.233 2.361 -12.717 488 2HB PRO 79 2HB PRO 79 7.084 0.976 -14.154 489 2HG PRO 79 2HG PRO 79 5.266 -0.089 -13.218 490 2HD PRO 79 2HD PRO 79 5.870 -0.055 -11.000 491 H ALA 80 H ALA 80 8.248 4.189 -10.941 492 HA ALA 80 HA ALA 80 7.336 6.472 -12.387 493 1HB ALA 80 1HB ALA 80 5.460 5.324 -10.674 494 2HB ALA 80 2HB ALA 80 6.193 6.613 -9.689 495 3HB ALA 80 3HB ALA 80 5.455 7.005 -11.261 496 H LYS 81 H LYS 81 7.354 8.156 -9.928 497 HA LYS 81 HA LYS 81 9.596 7.706 -8.374 498 2HB LYS 81 2HB LYS 81 10.983 7.791 -10.315 499 2HG LYS 81 2HG LYS 81 9.114 9.964 -11.103 500 2HD LYS 81 2HD LYS 81 10.998 10.972 -12.570 501 2HE LYS 81 2HE LYS 81 10.993 11.425 -9.549 502 1HZ LYS 81 1HZ LYS 81 12.773 12.375 -11.318 503 2HZ LYS 81 2HZ LYS 81 11.665 13.574 -11.280 504 3HZ LYS 81 3HZ LYS 81 12.389 13.087 -9.899 505 H SER 82 H SER 82 6.887 8.625 -8.163 506 HA SER 82 HA SER 82 6.148 11.061 -8.197 507 2HB SER 82 2HB SER 82 6.230 9.324 -5.700 508 HG SER 82 HG SER 82 5.609 11.154 -4.719 509 H ALA 83 H ALA 83 6.679 13.145 -7.480 510 HA ALA 83 HA ALA 83 9.307 13.694 -6.814 511 1HB ALA 83 1HB ALA 83 6.704 15.156 -6.894 512 2HB ALA 83 2HB ALA 83 8.020 15.915 -5.967 513 3HB ALA 83 3HB ALA 83 8.251 15.531 -7.689 Start of MODEL 6 1 H MET 1 H MET 1 0.918 10.874 -7.501 2 HA MET 1 HA MET 1 -1.193 9.621 -6.992 3 2HB MET 1 2HB MET 1 -0.978 10.120 -4.551 4 2HG MET 1 2HG MET 1 1.062 9.203 -6.150 5 1HE MET 1 1HE MET 1 3.259 9.479 -6.947 6 2HE MET 1 2HE MET 1 4.488 10.642 -6.400 7 3HE MET 1 3HE MET 1 3.975 9.319 -5.325 8 H PHE 2 H PHE 2 -3.348 9.818 -6.026 9 HA PHE 2 HA PHE 2 -5.336 10.734 -5.753 10 2HB PHE 2 2HB PHE 2 -5.418 13.059 -4.967 11 HD1 PHE 2 HD1 PHE 2 -5.228 11.466 -2.987 12 HD2 PHE 2 HD2 PHE 2 -1.856 13.305 -4.792 13 HE1 PHE 2 HE1 PHE 2 -3.877 11.019 -0.919 14 HE2 PHE 2 HE2 PHE 2 -0.505 12.859 -2.725 15 HZ PHE 2 HZ PHE 2 -1.532 11.722 -0.812 16 HA PRO 3 HA PRO 3 -6.650 12.110 -9.642 17 2HB PRO 3 2HB PRO 3 -8.833 11.495 -9.236 18 2HG PRO 3 2HG PRO 3 -9.412 11.420 -7.005 19 2HD PRO 3 2HD PRO 3 -7.343 11.095 -6.056 20 H ALA 4 H ALA 4 -7.990 14.731 -7.702 21 HA ALA 4 HA ALA 4 -7.906 16.806 -9.162 22 1HB ALA 4 1HB ALA 4 -6.413 16.569 -6.522 23 2HB ALA 4 2HB ALA 4 -6.823 18.121 -7.290 24 3HB ALA 4 3HB ALA 4 -8.118 17.017 -6.769 25 H MET 5 H MET 5 -4.732 16.657 -7.520 26 HA MET 5 HA MET 5 -3.548 17.298 -10.092 27 2HB MET 5 2HB MET 5 -1.594 17.623 -8.089 28 2HG MET 5 2HG MET 5 -3.646 19.722 -8.941 29 1HE MET 5 1HE MET 5 -1.688 21.327 -10.215 30 2HE MET 5 2HE MET 5 -1.639 22.620 -8.992 31 3HE MET 5 3HE MET 5 -0.152 21.737 -9.415 32 HA PRO 6 HA PRO 6 -1.157 13.673 -10.136 33 2HB PRO 6 2HB PRO 6 -0.081 14.243 -12.089 34 2HG PRO 6 2HG PRO 6 0.064 16.510 -12.483 35 2HD PRO 6 2HD PRO 6 -1.719 17.256 -11.237 36 H LEU 7 H LEU 7 -0.589 15.940 -7.853 37 HA LEU 7 HA LEU 7 0.689 14.004 -6.194 38 2HB LEU 7 2HB LEU 7 2.427 16.225 -5.963 39 HG LEU 7 HG LEU 7 2.803 13.610 -5.719 40 1HD1 LEU 7 1HD1 LEU 7 3.057 14.088 -8.604 41 2HD1 LEU 7 2HD1 LEU 7 4.453 13.254 -7.879 42 3HD1 LEU 7 3HD1 LEU 7 2.818 12.573 -7.701 43 1HD2 LEU 7 1HD2 LEU 7 4.670 15.859 -6.257 44 2HD2 LEU 7 2HD2 LEU 7 4.510 14.807 -4.831 45 3HD2 LEU 7 3HD2 LEU 7 5.349 14.214 -6.284 46 H SER 8 H SER 8 -0.144 14.266 -4.187 47 HA SER 8 HA SER 8 -0.553 16.868 -3.154 48 2HB SER 8 2HB SER 8 -3.096 16.227 -2.693 49 HG SER 8 HG SER 8 -3.654 17.299 -4.762 50 H SER 9 H SER 9 1.135 15.094 -2.118 51 HA SER 9 HA SER 9 -0.171 13.262 -0.379 52 2HB SER 9 2HB SER 9 1.934 12.506 -1.113 53 HG SER 9 HG SER 9 3.835 14.129 -0.480 54 H LEU 10 H LEU 10 -1.470 15.389 0.384 55 HA LEU 10 HA LEU 10 -1.162 15.771 2.988 56 2HB LEU 10 2HB LEU 10 0.987 16.559 3.052 57 HG LEU 10 HG LEU 10 0.748 17.256 0.369 58 1HD1 LEU 10 1HD1 LEU 10 0.047 19.556 1.732 59 2HD1 LEU 10 2HD1 LEU 10 1.782 19.787 1.402 60 3HD1 LEU 10 3HD1 LEU 10 0.655 19.463 0.061 61 1HD2 LEU 10 1HD2 LEU 10 2.823 17.109 2.425 62 2HD2 LEU 10 2HD2 LEU 10 2.843 16.578 0.726 63 3HD2 LEU 10 3HD2 LEU 10 3.198 18.275 1.133 64 H PHE 11 H PHE 11 -3.117 15.701 0.913 65 HA PHE 11 HA PHE 11 -4.828 17.687 1.775 66 2HB PHE 11 2HB PHE 11 -3.949 18.200 -1.094 67 HD1 PHE 11 HD1 PHE 11 -3.807 20.579 1.699 68 HD2 PHE 11 HD2 PHE 11 -6.108 19.151 -1.567 69 HE1 PHE 11 HE1 PHE 11 -5.313 22.579 1.887 70 HE2 PHE 11 HE2 PHE 11 -7.614 21.150 -1.380 71 HZ PHE 11 HZ PHE 11 -7.198 22.840 0.345 72 H VAL 12 H VAL 12 -4.706 14.821 1.158 73 HA VAL 12 HA VAL 12 -5.880 14.162 -1.253 74 HB VAL 12 HB VAL 12 -4.859 12.635 0.417 75 1HG1 VAL 12 1HG1 VAL 12 -7.017 13.669 2.072 76 2HG1 VAL 12 2HG1 VAL 12 -7.036 11.891 2.008 77 3HG1 VAL 12 3HG1 VAL 12 -5.566 12.746 2.534 78 1HG2 VAL 12 1HG2 VAL 12 -7.373 12.181 -1.053 79 2HG2 VAL 12 2HG2 VAL 12 -5.851 11.255 -1.060 80 3HG2 VAL 12 3HG2 VAL 12 -7.049 10.992 0.231 81 H ASN 13 H ASN 13 -8.205 12.826 0.593 82 HA ASN 13 HA ASN 13 -10.301 13.954 -0.516 83 2HB ASN 13 2HB ASN 13 -10.570 13.521 2.457 84 1HD2 ASN 13 2HD2 ASN 13 -11.520 10.797 1.116 85 2HD2 ASN 13 1HD2 ASN 13 -13.142 11.152 0.624 86 H GLY 14 H GLY 14 -8.167 15.400 1.890 87 1HA GLY 14 1HA GLY 14 -9.173 17.999 1.541 88 2HA GLY 14 2HA GLY 14 -9.852 17.338 3.016 89 HA PRO 15 HA PRO 15 -5.859 18.926 4.294 90 2HB PRO 15 2HB PRO 15 -6.634 20.909 5.171 91 2HG PRO 15 2HG PRO 15 -8.929 21.048 5.356 92 2HD PRO 15 2HD PRO 15 -9.561 19.531 3.748 93 H ARG 16 H ARG 16 -4.513 18.617 6.359 94 HA ARG 16 HA ARG 16 -4.115 16.044 6.733 95 2HB ARG 16 2HB ARG 16 -2.871 18.073 7.756 96 2HG ARG 16 2HG ARG 16 -4.332 17.478 10.310 97 2HD ARG 16 2HD ARG 16 -2.344 18.997 10.226 98 HE ARG 16 HE ARG 16 -2.355 20.258 8.233 99 1HH1 ARG 16 1HH1 ARG 16 -5.388 20.710 9.960 100 2HH1 ARG 16 2HH1 ARG 16 -5.911 22.021 8.956 101 1HH2 ARG 16 1HH2 ARG 16 -3.045 21.987 6.908 102 2HH2 ARG 16 2HH2 ARG 16 -4.570 22.752 7.209 103 H THR 17 H THR 17 -6.802 17.938 8.030 104 HA THR 17 HA THR 17 -7.544 16.174 10.114 105 HB THR 17 HB THR 17 -9.005 18.320 8.494 106 HG1 THR 17 HG1 THR 17 -7.725 18.004 11.114 107 1HG2 THR 17 1HG2 THR 17 -9.924 16.503 10.705 108 2HG2 THR 17 2HG2 THR 17 -10.282 18.235 10.903 109 3HG2 THR 17 3HG2 THR 17 -10.885 17.359 9.476 110 H LEU 18 H LEU 18 -8.660 16.525 6.689 111 HA LEU 18 HA LEU 18 -10.630 14.663 6.689 112 2HB LEU 18 2HB LEU 18 -9.170 14.313 4.292 113 HG LEU 18 HG LEU 18 -10.847 15.661 3.232 114 1HD1 LEU 18 1HD1 LEU 18 -11.388 13.388 4.671 115 2HD1 LEU 18 2HD1 LEU 18 -12.656 14.504 5.232 116 3HD1 LEU 18 3HD1 LEU 18 -12.480 14.157 3.494 117 1HD2 LEU 18 1HD2 LEU 18 -10.964 16.983 5.829 118 2HD2 LEU 18 2HD2 LEU 18 -11.435 17.571 4.218 119 3HD2 LEU 18 3HD2 LEU 18 -12.576 16.602 5.180 120 H CYS 19 H CYS 19 -7.609 13.622 5.078 121 HA CYS 19 HA CYS 19 -7.924 11.078 6.469 122 2HB CYS 19 2HB CYS 19 -6.312 11.691 3.984 123 H GLY 20 H GLY 20 -4.892 11.929 4.885 124 1HA GLY 20 1HA GLY 20 -3.526 13.207 6.953 125 2HA GLY 20 2HA GLY 20 -3.360 11.482 7.213 126 H ALA 21 H ALA 21 -1.367 13.620 6.343 127 HA ALA 21 HA ALA 21 -0.730 12.739 3.645 128 1HB ALA 21 1HB ALA 21 -0.620 15.179 4.819 129 2HB ALA 21 2HB ALA 21 1.036 14.613 5.151 130 3HB ALA 21 3HB ALA 21 0.443 14.697 3.475 131 H GLU 22 H GLU 22 -0.315 11.592 6.759 132 HA GLU 22 HA GLU 22 2.440 10.942 6.587 133 2HB GLU 22 2HB GLU 22 0.467 9.545 8.412 134 2HG GLU 22 2HG GLU 22 3.081 9.177 8.296 135 H LEU 23 H LEU 23 -0.678 9.109 6.275 136 HA LEU 23 HA LEU 23 0.072 6.609 5.929 137 2HB LEU 23 2HB LEU 23 -1.664 6.479 4.080 138 HG LEU 23 HG LEU 23 -2.420 7.894 6.650 139 1HD1 LEU 23 1HD1 LEU 23 -4.001 7.953 4.496 140 2HD1 LEU 23 2HD1 LEU 23 -4.438 6.340 5.109 141 3HD1 LEU 23 3HD1 LEU 23 -4.631 7.771 6.152 142 1HD2 LEU 23 1HD2 LEU 23 -2.305 4.989 5.833 143 2HD2 LEU 23 2HD2 LEU 23 -1.509 5.797 7.205 144 3HD2 LEU 23 3HD2 LEU 23 -3.273 5.559 7.213 145 H VAL 24 H VAL 24 0.650 9.239 3.539 146 HA VAL 24 HA VAL 24 1.874 7.441 1.681 147 HB VAL 24 HB VAL 24 0.976 9.174 0.552 148 1HG1 VAL 24 1HG1 VAL 24 1.531 10.808 3.021 149 2HG1 VAL 24 2HG1 VAL 24 1.142 11.608 1.480 150 3HG1 VAL 24 3HG1 VAL 24 -0.017 10.470 2.210 151 1HG2 VAL 24 1HG2 VAL 24 3.714 9.239 0.609 152 2HG2 VAL 24 2HG2 VAL 24 2.693 10.186 -0.500 153 3HG2 VAL 24 3HG2 VAL 24 3.308 10.928 0.998 154 H ASP 25 H ASP 25 3.012 10.011 3.974 155 HA ASP 25 HA ASP 25 5.699 9.609 3.386 156 2HB ASP 25 2HB ASP 25 5.532 10.492 6.073 157 H ALA 26 H ALA 26 3.386 7.649 4.979 158 HA ALA 26 HA ALA 26 5.088 6.562 7.006 159 1HB ALA 26 1HB ALA 26 2.349 6.624 6.438 160 2HB ALA 26 2HB ALA 26 2.806 4.923 6.187 161 3HB ALA 26 3HB ALA 26 3.138 5.712 7.748 162 H LEU 27 H LEU 27 3.610 5.192 3.972 163 HA LEU 27 HA LEU 27 5.024 2.856 3.930 164 2HB LEU 27 2HB LEU 27 4.542 2.790 1.555 165 HG LEU 27 HG LEU 27 2.530 3.269 3.511 166 1HD1 LEU 27 1HD1 LEU 27 2.369 5.398 1.901 167 2HD1 LEU 27 2HD1 LEU 27 1.421 4.247 0.930 168 3HD1 LEU 27 3HD1 LEU 27 0.938 4.608 2.605 169 1HD2 LEU 27 1HD2 LEU 27 3.044 1.259 1.981 170 2HD2 LEU 27 2HD2 LEU 27 1.343 1.633 2.351 171 3HD2 LEU 27 3HD2 LEU 27 2.036 2.101 0.780 172 H GLN 28 H GLN 28 6.013 6.123 2.792 173 HA GLN 28 HA GLN 28 8.497 5.082 1.845 174 2HB GLN 28 2HB GLN 28 8.429 7.985 2.139 175 2HG GLN 28 2HG GLN 28 9.528 7.697 0.180 176 1HE2 GLN 28 2HE2 GLN 28 11.112 6.300 0.632 177 2HE2 GLN 28 1HE2 GLN 28 11.065 4.593 0.344 178 H PHE 29 H PHE 29 7.179 6.029 4.871 179 HA PHE 29 HA PHE 29 9.400 7.271 6.035 180 2HB PHE 29 2HB PHE 29 6.770 6.138 6.706 181 HD1 PHE 29 HD1 PHE 29 9.893 6.331 8.756 182 HD2 PHE 29 HD2 PHE 29 6.072 4.564 8.226 183 HE1 PHE 29 HE1 PHE 29 10.294 4.866 10.753 184 HE2 PHE 29 HE2 PHE 29 6.473 3.097 10.223 185 HZ PHE 29 HZ PHE 29 8.580 3.265 11.462 186 H VAL 30 H VAL 30 8.449 3.835 5.616 187 HA VAL 30 HA VAL 30 10.814 3.033 7.130 188 HB VAL 30 HB VAL 30 8.412 1.527 6.086 189 1HG1 VAL 30 1HG1 VAL 30 11.011 0.569 7.206 190 2HG1 VAL 30 2HG1 VAL 30 9.524 -0.260 7.727 191 3HG1 VAL 30 3HG1 VAL 30 9.937 -0.177 5.998 192 1HG2 VAL 30 1HG2 VAL 30 8.934 2.990 8.508 193 2HG2 VAL 30 2HG2 VAL 30 7.457 2.130 8.008 194 3HG2 VAL 30 3HG2 VAL 30 8.738 1.263 8.891 195 H CYS 31 H CYS 31 9.520 3.405 3.883 196 HA CYS 31 HA CYS 31 11.581 1.680 2.792 197 2HB CYS 31 2HB CYS 31 10.209 2.947 0.700 198 H GLY 32 H GLY 32 10.733 5.061 3.405 199 1HA GLY 32 1HA GLY 32 13.205 6.143 3.210 200 2HA GLY 32 2HA GLY 32 12.654 6.154 1.547 201 H ASP 33 H ASP 33 12.592 7.805 4.549 202 HA ASP 33 HA ASP 33 10.118 8.961 4.564 203 2HB ASP 33 2HB ASP 33 11.307 9.524 6.462 204 H ARG 34 H ARG 34 11.178 8.778 1.798 205 HA ARG 34 HA ARG 34 11.687 11.542 1.139 206 2HB ARG 34 2HB ARG 34 13.138 9.809 0.108 207 2HG ARG 34 2HG ARG 34 10.531 8.815 -1.136 208 2HD ARG 34 2HD ARG 34 12.745 8.848 -2.567 209 HE ARG 34 HE ARG 34 13.486 7.004 -0.388 210 1HH1 ARG 34 1HH1 ARG 34 14.097 8.027 -3.699 211 2HH1 ARG 34 2HH1 ARG 34 15.695 7.361 -3.746 212 1HH2 ARG 34 1HH2 ARG 34 15.593 6.124 -0.449 213 2HH2 ARG 34 2HH2 ARG 34 16.552 6.271 -1.885 214 H GLY 35 H GLY 35 9.063 9.448 1.556 215 1HA GLY 35 1HA GLY 35 6.854 10.106 1.243 216 2HA GLY 35 2HA GLY 35 7.337 11.175 -0.059 217 H PHE 36 H PHE 36 5.650 8.401 0.549 218 HA PHE 36 HA PHE 36 6.443 7.189 -2.005 219 2HB PHE 36 2HB PHE 36 5.253 6.180 0.630 220 HD1 PHE 36 HD1 PHE 36 6.654 4.167 -2.115 221 HD2 PHE 36 HD2 PHE 36 3.146 5.219 0.031 222 HE1 PHE 36 HE1 PHE 36 5.426 2.258 -3.187 223 HE2 PHE 36 HE2 PHE 36 1.918 3.309 -1.041 224 HZ PHE 36 HZ PHE 36 3.073 1.852 -2.637 225 H TYR 37 H TYR 37 4.429 5.823 -2.909 226 HA TYR 37 HA TYR 37 2.312 7.792 -3.210 227 2HB TYR 37 2HB TYR 37 2.657 5.034 -4.510 228 HD1 TYR 37 HD1 TYR 37 0.285 7.232 -4.011 229 HD2 TYR 37 HD2 TYR 37 2.711 6.004 -7.314 230 HE1 TYR 37 HE1 TYR 37 -1.525 7.985 -5.630 231 HE2 TYR 37 HE2 TYR 37 0.894 6.761 -8.922 232 HH TYR 37 HH TYR 37 -0.980 8.479 -8.836 233 H PHE 38 H PHE 38 0.812 5.074 -4.110 234 HA PHE 38 HA PHE 38 0.139 3.945 -1.579 235 2HB PHE 38 2HB PHE 38 -2.375 4.719 -2.109 236 HD1 PHE 38 HD1 PHE 38 -0.232 4.658 0.100 237 HD2 PHE 38 HD2 PHE 38 -2.330 7.832 -1.778 238 HE1 PHE 38 HE1 PHE 38 0.046 6.062 2.162 239 HE2 PHE 38 HE2 PHE 38 -2.052 9.236 0.283 240 HZ PHE 38 HZ PHE 38 -0.867 8.335 2.229 241 H ASN 39 H ASN 39 -2.583 4.163 -3.672 242 HA ASN 39 HA ASN 39 -2.785 1.540 -4.143 243 2HB ASN 39 2HB ASN 39 -4.183 3.811 -4.913 244 1HD2 ASN 39 2HD2 ASN 39 -2.987 5.119 -6.324 245 2HD2 ASN 39 1HD2 ASN 39 -2.931 4.832 -8.031 246 H LYS 40 H LYS 40 -2.479 0.260 -6.240 247 HA LYS 40 HA LYS 40 0.115 0.248 -7.094 248 2HB LYS 40 2HB LYS 40 -1.532 -0.753 -9.201 249 2HG LYS 40 2HG LYS 40 -0.647 -2.567 -7.004 250 2HD LYS 40 2HD LYS 40 0.734 -2.943 -9.494 251 2HE LYS 40 2HE LYS 40 -1.774 -4.475 -8.846 252 1HZ LYS 40 1HZ LYS 40 0.100 -4.998 -10.487 253 2HZ LYS 40 2HZ LYS 40 0.930 -5.507 -9.175 254 3HZ LYS 40 3HZ LYS 40 -0.494 -6.207 -9.564 255 HA PRO 41 HA PRO 41 0.487 3.175 -10.259 256 2HB PRO 41 2HB PRO 41 2.526 2.393 -10.989 257 2HG PRO 41 2HG PRO 41 2.879 0.143 -10.628 258 2HD PRO 41 2HD PRO 41 1.445 -0.218 -8.868 259 H THR 42 H THR 42 -1.938 3.298 -10.199 260 HA THR 42 HA THR 42 -3.635 2.127 -11.878 261 HB THR 42 HB THR 42 -3.325 5.096 -11.205 262 HG1 THR 42 HG1 THR 42 -3.683 3.667 -9.409 263 1HG2 THR 42 1HG2 THR 42 -5.461 3.581 -12.701 264 2HG2 THR 42 2HG2 THR 42 -5.998 4.738 -11.460 265 3HG2 THR 42 3HG2 THR 42 -5.001 5.296 -12.825 266 H GLY 43 H GLY 43 -2.404 5.297 -13.052 267 1HA GLY 43 1HA GLY 43 -2.941 5.097 -15.650 268 2HA GLY 43 2HA GLY 43 -1.464 5.832 -15.055 269 H TYR 44 H TYR 44 -2.929 2.737 -16.171 270 HA TYR 44 HA TYR 44 -0.419 2.049 -17.418 271 2HB TYR 44 2HB TYR 44 -1.796 0.043 -15.570 272 HD1 TYR 44 HD1 TYR 44 1.471 1.418 -16.796 273 HD2 TYR 44 HD2 TYR 44 -0.699 -2.010 -15.436 274 HE1 TYR 44 HE1 TYR 44 3.468 -0.065 -17.325 275 HE2 TYR 44 HE2 TYR 44 1.305 -3.481 -15.971 276 HH TYR 44 HH TYR 44 4.305 -2.053 -17.230 277 H GLY 45 H GLY 45 -0.878 -0.517 -18.207 278 1HA GLY 45 1HA GLY 45 -2.542 -0.378 -20.337 279 2HA GLY 45 2HA GLY 45 -2.140 -1.867 -19.505 280 H SER 46 H SER 46 -3.407 -1.306 -16.952 281 HA SER 46 HA SER 46 -6.146 -1.638 -17.835 282 2HB SER 46 2HB SER 46 -5.008 -2.133 -15.053 283 HG SER 46 HG SER 46 -7.083 -2.568 -14.727 284 H SER 47 H SER 47 -6.292 0.766 -18.243 285 HA SER 47 HA SER 47 -6.016 2.502 -16.040 286 2HB SER 47 2HB SER 47 -7.316 2.831 -18.777 287 HG SER 47 HG SER 47 -7.663 4.409 -16.649 288 H SER 48 H SER 48 -7.412 1.127 -14.540 289 HA SER 48 HA SER 48 -10.199 1.891 -14.927 290 2HB SER 48 2HB SER 48 -10.410 -0.341 -13.352 291 HG SER 48 HG SER 48 -10.164 -0.796 -16.157 292 H ARG 49 H ARG 49 -11.433 1.931 -12.747 293 HA ARG 49 HA ARG 49 -10.476 3.735 -11.103 294 2HB ARG 49 2HB ARG 49 -11.850 2.319 -9.247 295 2HG ARG 49 2HG ARG 49 -12.521 4.423 -10.664 296 2HD ARG 49 2HD ARG 49 -14.579 3.615 -12.147 297 HE ARG 49 HE ARG 49 -11.759 4.001 -12.870 298 1HH1 ARG 49 1HH1 ARG 49 -15.011 3.426 -14.085 299 2HH1 ARG 49 2HH1 ARG 49 -14.670 4.055 -15.663 300 1HH2 ARG 49 1HH2 ARG 49 -11.309 4.831 -14.951 301 2HH2 ARG 49 2HH2 ARG 49 -12.551 4.859 -16.159 302 H ARG 50 H ARG 50 -8.512 3.870 -10.058 303 HA ARG 50 HA ARG 50 -6.711 2.033 -9.662 304 2HB ARG 50 2HB ARG 50 -6.178 4.250 -8.959 305 2HG ARG 50 2HG ARG 50 -8.704 3.973 -7.350 306 2HD ARG 50 2HD ARG 50 -6.367 5.785 -6.575 307 HE ARG 50 HE ARG 50 -9.073 6.406 -6.357 308 1HH1 ARG 50 1HH1 ARG 50 -6.477 5.782 -4.065 309 2HH1 ARG 50 2HH1 ARG 50 -7.148 6.799 -2.834 310 1HH2 ARG 50 1HH2 ARG 50 -9.957 7.748 -4.734 311 2HH2 ARG 50 2HH2 ARG 50 -9.140 7.925 -3.217 312 H ALA 51 H ALA 51 -6.835 -0.043 -8.861 313 HA ALA 51 HA ALA 51 -8.800 -1.169 -7.445 314 1HB ALA 51 1HB ALA 51 -6.506 -2.060 -8.423 315 2HB ALA 51 2HB ALA 51 -5.965 -1.892 -6.735 316 3HB ALA 51 3HB ALA 51 -7.341 -2.950 -7.128 317 H CYS 52 H CYS 52 -5.849 0.361 -5.971 318 HA CYS 52 HA CYS 52 -5.429 0.900 -3.860 319 2HB CYS 52 2HB CYS 52 -8.042 2.193 -3.414 320 HG CYS 52 HG CYS 52 -5.143 2.364 -2.598 321 H GLN 53 H GLN 53 -6.725 -1.755 -4.265 322 HA GLN 53 HA GLN 53 -8.789 -2.367 -2.709 323 2HB GLN 53 2HB GLN 53 -6.166 -3.859 -3.093 324 2HG GLN 53 2HG GLN 53 -8.458 -4.487 -1.332 325 1HE2 GLN 53 2HE2 GLN 53 -9.779 -4.981 -3.398 326 2HE2 GLN 53 1HE2 GLN 53 -9.828 -6.641 -3.892 327 H THR 54 H THR 54 -5.351 -2.140 -1.540 328 HA THR 54 HA THR 54 -6.332 -2.198 1.207 329 HB THR 54 HB THR 54 -3.703 -2.604 -0.237 330 HG1 THR 54 HG1 THR 54 -5.180 -3.787 2.010 331 1HG2 THR 54 1HG2 THR 54 -4.090 -1.722 2.655 332 2HG2 THR 54 2HG2 THR 54 -2.753 -2.804 2.197 333 3HG2 THR 54 3HG2 THR 54 -2.860 -1.173 1.491 334 H GLY 55 H GLY 55 -6.891 0.091 -0.666 335 1HA GLY 55 1HA GLY 55 -5.692 2.330 -0.696 336 2HA GLY 55 2HA GLY 55 -7.249 2.277 0.105 337 H ILE 56 H ILE 56 -3.708 2.305 0.576 338 HA ILE 56 HA ILE 56 -3.759 2.175 3.382 339 HB ILE 56 HB ILE 56 -1.860 2.191 1.361 340 2HG1 ILE 56 2HG1 ILE 56 -1.307 2.339 4.335 341 1HG2 ILE 56 1HG2 ILE 56 -1.975 4.767 1.741 342 2HG2 ILE 56 2HG2 ILE 56 -1.046 4.407 3.216 343 3HG2 ILE 56 3HG2 ILE 56 -0.395 3.957 1.621 344 1HD1 ILE 56 1HD1 ILE 56 -2.834 0.384 2.734 345 2HD1 ILE 56 2HD1 ILE 56 -1.446 -0.341 3.580 346 3HD1 ILE 56 3HD1 ILE 56 -2.689 0.538 4.502 347 H VAL 57 H VAL 57 -5.097 4.457 1.318 348 HA VAL 57 HA VAL 57 -4.602 6.633 3.224 349 HB VAL 57 HB VAL 57 -5.971 7.462 0.851 350 1HG1 VAL 57 1HG1 VAL 57 -3.195 7.989 1.962 351 2HG1 VAL 57 2HG1 VAL 57 -3.917 8.874 0.596 352 3HG1 VAL 57 3HG1 VAL 57 -4.664 8.963 2.210 353 1HG2 VAL 57 1HG2 VAL 57 -3.479 5.796 0.378 354 2HG2 VAL 57 2HG2 VAL 57 -5.102 5.546 -0.309 355 3HG2 VAL 57 3HG2 VAL 57 -4.138 6.961 -0.795 356 H ASP 58 H ASP 58 -7.149 4.901 1.323 357 HA ASP 58 HA ASP 58 -9.140 6.186 2.965 358 2HB ASP 58 2HB ASP 58 -9.886 4.053 0.995 359 H GLU 59 H GLU 59 -7.498 3.074 2.367 360 HA GLU 59 HA GLU 59 -9.364 1.620 3.977 361 2HB GLU 59 2HB GLU 59 -6.724 0.421 3.235 362 2HG GLU 59 2HG GLU 59 -8.756 -1.140 2.207 363 H CYS 60 H CYS 60 -6.347 3.385 4.353 364 HA CYS 60 HA CYS 60 -5.711 2.073 6.836 365 2HB CYS 60 2HB CYS 60 -4.367 4.579 5.908 366 H CYS 61 H CYS 61 -6.872 5.271 5.590 367 HA CYS 61 HA CYS 61 -7.009 6.562 8.028 368 2HB CYS 61 2HB CYS 61 -9.071 7.672 6.623 369 H PHE 62 H PHE 62 -9.184 4.250 6.368 370 HA PHE 62 HA PHE 62 -11.239 4.610 8.367 371 2HB PHE 62 2HB PHE 62 -12.160 2.604 6.896 372 HD1 PHE 62 HD1 PHE 62 -10.509 5.659 5.501 373 HD2 PHE 62 HD2 PHE 62 -14.093 3.441 5.987 374 HE1 PHE 62 HE1 PHE 62 -11.776 7.439 4.266 375 HE2 PHE 62 HE2 PHE 62 -15.361 5.220 4.751 376 HZ PHE 62 HZ PHE 62 -14.188 7.197 3.905 377 H ARG 63 H ARG 63 -8.784 2.172 7.348 378 HA ARG 63 HA ARG 63 -9.571 0.606 9.661 379 2HB ARG 63 2HB ARG 63 -7.545 -0.396 7.661 380 2HG ARG 63 2HG ARG 63 -9.653 -2.240 8.136 381 2HD ARG 63 2HD ARG 63 -6.939 -2.011 9.525 382 HE ARG 63 HE ARG 63 -8.938 -3.922 9.931 383 1HH1 ARG 63 1HH1 ARG 63 -5.648 -3.961 8.681 384 2HH1 ARG 63 2HH1 ARG 63 -5.338 -5.587 9.192 385 1HH2 ARG 63 1HH2 ARG 63 -8.528 -6.067 10.605 386 2HH2 ARG 63 2HH2 ARG 63 -6.987 -6.793 10.293 387 H SER 64 H SER 64 -8.460 1.695 11.354 388 HA SER 64 HA SER 64 -6.170 2.958 11.379 389 2HB SER 64 2HB SER 64 -5.793 1.992 13.727 390 HG SER 64 HG SER 64 -7.131 3.701 13.899 391 H CYS 65 H CYS 65 -4.480 2.348 9.991 392 HA CYS 65 HA CYS 65 -3.241 -0.225 10.644 393 2HB CYS 65 2HB CYS 65 -4.441 0.090 8.327 394 H ASP 66 H ASP 66 -1.571 0.494 11.981 395 HA ASP 66 HA ASP 66 -0.402 2.935 11.898 396 2HB ASP 66 2HB ASP 66 1.434 1.928 13.179 397 H LEU 67 H LEU 67 2.432 1.306 11.703 398 HA LEU 67 HA LEU 67 2.827 2.061 8.919 399 2HB LEU 67 2HB LEU 67 4.347 3.039 10.471 400 HG LEU 67 HG LEU 67 4.205 1.006 12.148 401 1HD1 LEU 67 1HD1 LEU 67 5.919 -0.031 10.067 402 2HD1 LEU 67 2HD1 LEU 67 6.790 0.051 11.617 403 3HD1 LEU 67 3HD1 LEU 67 5.254 -0.841 11.504 404 1HD2 LEU 67 1HD2 LEU 67 5.550 3.297 12.146 405 2HD2 LEU 67 2HD2 LEU 67 5.817 2.042 13.380 406 3HD2 LEU 67 3HD2 LEU 67 6.938 2.191 12.007 407 H ARG 68 H ARG 68 2.115 -0.684 10.849 408 HA ARG 68 HA ARG 68 3.632 -2.648 9.808 409 2HB ARG 68 2HB ARG 68 1.545 -4.126 10.174 410 2HG ARG 68 2HG ARG 68 1.423 -3.611 12.642 411 2HD ARG 68 2HD ARG 68 3.711 -4.390 11.114 412 HE ARG 68 HE ARG 68 5.243 -2.765 11.815 413 1HH1 ARG 68 1HH1 ARG 68 3.124 -3.583 14.503 414 2HH1 ARG 68 2HH1 ARG 68 4.020 -2.654 15.659 415 1HH2 ARG 68 1HH2 ARG 68 6.426 -1.541 13.339 416 2HH2 ARG 68 2HH2 ARG 68 5.910 -1.484 14.992 417 H ARG 69 H ARG 69 0.651 -1.142 8.424 418 HA ARG 69 HA ARG 69 0.549 -2.907 6.249 419 2HB ARG 69 2HB ARG 69 -0.707 -0.365 5.630 420 2HG ARG 69 2HG ARG 69 -1.382 -2.918 5.254 421 2HD ARG 69 2HD ARG 69 -3.444 -2.641 7.284 422 HE ARG 69 HE ARG 69 -3.038 -4.872 6.604 423 1HH1 ARG 69 1HH1 ARG 69 -0.131 -3.455 7.992 424 2HH1 ARG 69 2HH1 ARG 69 0.706 -4.966 8.105 425 1HH2 ARG 69 1HH2 ARG 69 -1.934 -6.867 6.753 426 2HH2 ARG 69 2HH2 ARG 69 -0.325 -6.920 7.395 427 H LEU 70 H LEU 70 1.484 0.602 6.559 428 HA LEU 70 HA LEU 70 2.245 1.111 4.016 429 2HB LEU 70 2HB LEU 70 2.173 2.669 5.964 430 HG LEU 70 HG LEU 70 3.757 1.363 7.460 431 1HD1 LEU 70 1HD1 LEU 70 5.477 1.639 5.229 432 2HD1 LEU 70 2HD1 LEU 70 6.175 2.606 6.550 433 3HD1 LEU 70 3HD1 LEU 70 5.818 0.881 6.803 434 1HD2 LEU 70 1HD2 LEU 70 3.035 3.766 7.764 435 2HD2 LEU 70 2HD2 LEU 70 4.570 3.310 8.539 436 3HD2 LEU 70 3HD2 LEU 70 4.581 4.239 7.021 437 H GLU 71 H GLU 71 3.945 -0.856 6.463 438 HA GLU 71 HA GLU 71 6.327 -1.002 4.969 439 2HB GLU 71 2HB GLU 71 6.107 -3.273 6.693 440 2HG GLU 71 2HG GLU 71 7.390 -1.241 8.134 441 H MET 72 H MET 72 3.333 -2.962 5.221 442 HA MET 72 HA MET 72 4.214 -5.207 3.920 443 2HB MET 72 2HB MET 72 1.530 -4.809 3.102 444 2HG MET 72 2HG MET 72 0.958 -6.219 5.060 445 1HE MET 72 1HE MET 72 2.926 -7.988 6.216 446 2HE MET 72 2HE MET 72 2.245 -9.291 5.214 447 3HE MET 72 3HE MET 72 3.991 -8.950 5.166 448 H TYR 73 H TYR 73 2.654 -2.230 2.544 449 HA TYR 73 HA TYR 73 3.085 -3.205 -0.139 450 2HB TYR 73 2HB TYR 73 2.363 -0.414 0.018 451 HD1 TYR 73 HD1 TYR 73 0.701 -3.758 0.450 452 HD2 TYR 73 HD2 TYR 73 0.816 -0.043 -1.669 453 HE1 TYR 73 HE1 TYR 73 -1.162 -4.564 -1.080 454 HE2 TYR 73 HE2 TYR 73 -1.048 -0.862 -3.191 455 HH TYR 73 HH TYR 73 -2.480 -2.430 -3.595 456 H CYS 74 H CYS 74 4.857 -1.434 2.257 457 HA CYS 74 HA CYS 74 6.204 0.511 1.449 458 2HB CYS 74 2HB CYS 74 7.963 -1.897 1.766 459 H ALA 75 H ALA 75 5.136 0.122 -0.959 460 HA ALA 75 HA ALA 75 6.766 -1.307 -2.782 461 1HB ALA 75 1HB ALA 75 4.331 0.337 -2.782 462 2HB ALA 75 2HB ALA 75 5.327 0.575 -4.238 463 3HB ALA 75 3HB ALA 75 4.766 -1.057 -3.801 464 HA PRO 76 HA PRO 76 9.855 1.692 -3.309 465 2HB PRO 76 2HB PRO 76 11.403 0.088 -3.888 466 2HG PRO 76 2HG PRO 76 10.498 -1.915 -4.588 467 2HD PRO 76 2HD PRO 76 8.446 -1.818 -3.555 468 H LEU 77 H LEU 77 7.143 1.511 -5.026 469 HA LEU 77 HA LEU 77 7.392 2.672 -7.385 470 2HB LEU 77 2HB LEU 77 5.432 4.221 -6.061 471 HG LEU 77 HG LEU 77 5.290 1.673 -7.676 472 1HD1 LEU 77 1HD1 LEU 77 3.368 2.437 -5.793 473 2HD1 LEU 77 2HD1 LEU 77 2.724 2.977 -7.362 474 3HD1 LEU 77 3HD1 LEU 77 3.177 1.272 -7.126 475 1HD2 LEU 77 1HD2 LEU 77 5.164 4.554 -8.231 476 2HD2 LEU 77 2HD2 LEU 77 5.552 3.186 -9.302 477 3HD2 LEU 77 3HD2 LEU 77 3.853 3.611 -8.979 478 H LYS 78 H LYS 78 7.881 4.664 -8.333 479 HA LYS 78 HA LYS 78 9.884 6.146 -7.354 480 2HB LYS 78 2HB LYS 78 7.597 6.961 -9.160 481 2HG LYS 78 2HG LYS 78 10.270 8.377 -9.048 482 2HD LYS 78 2HD LYS 78 7.547 9.556 -9.671 483 2HE LYS 78 2HE LYS 78 10.244 10.489 -9.710 484 1HZ LYS 78 1HZ LYS 78 9.256 9.687 -12.289 485 2HZ LYS 78 2HZ LYS 78 9.877 11.196 -12.212 486 3HZ LYS 78 3HZ LYS 78 10.792 9.912 -11.786 487 HA PRO 79 HA PRO 79 8.309 8.416 -4.030 488 2HB PRO 79 2HB PRO 79 10.408 8.643 -3.109 489 2HG PRO 79 2HG PRO 79 12.147 8.352 -4.595 490 2HD PRO 79 2HD PRO 79 11.113 7.053 -6.186 491 H ALA 80 H ALA 80 7.739 10.682 -3.240 492 HA ALA 80 HA ALA 80 6.282 11.852 -5.413 493 1HB ALA 80 1HB ALA 80 6.037 11.665 -2.619 494 2HB ALA 80 2HB ALA 80 6.349 13.389 -2.934 495 3HB ALA 80 3HB ALA 80 4.979 12.574 -3.725 496 H LYS 81 H LYS 81 6.441 14.624 -4.592 497 HA LYS 81 HA LYS 81 9.011 15.615 -4.449 498 2HB LYS 81 2HB LYS 81 8.568 16.269 -7.184 499 2HG LYS 81 2HG LYS 81 10.651 14.263 -6.416 500 2HD LYS 81 2HD LYS 81 10.285 16.331 -8.351 501 2HE LYS 81 2HE LYS 81 12.334 16.970 -6.211 502 1HZ LYS 81 1HZ LYS 81 12.837 16.889 -8.953 503 2HZ LYS 81 2HZ LYS 81 12.823 18.451 -8.476 504 3HZ LYS 81 3HZ LYS 81 13.827 17.385 -7.752 505 H SER 82 H SER 82 6.393 16.068 -3.382 506 HA SER 82 HA SER 82 4.700 17.746 -4.270 507 2HB SER 82 2HB SER 82 6.315 18.218 -1.728 508 HG SER 82 HG SER 82 3.604 19.074 -2.198 509 H ALA 83 H ALA 83 5.082 19.138 -6.004 510 HA ALA 83 HA ALA 83 7.278 21.045 -5.732 511 1HB ALA 83 1HB ALA 83 5.522 20.169 -8.057 512 2HB ALA 83 2HB ALA 83 6.720 21.481 -8.163 513 3HB ALA 83 3HB ALA 83 7.249 19.818 -7.807 Start of MODEL 7 1 H MET 1 H MET 1 1.963 17.741 -11.589 2 HA MET 1 HA MET 1 4.016 18.448 -9.715 3 2HB MET 1 2HB MET 1 2.189 17.706 -8.055 4 2HG MET 1 2HG MET 1 0.474 19.500 -8.956 5 1HE MET 1 1HE MET 1 0.877 22.022 -8.794 6 2HE MET 1 2HE MET 1 0.599 21.537 -7.104 7 3HE MET 1 3HE MET 1 1.913 22.672 -7.501 8 H PHE 2 H PHE 2 5.671 17.012 -9.402 9 HA PHE 2 HA PHE 2 6.762 15.118 -9.106 10 2HB PHE 2 2HB PHE 2 5.810 13.736 -7.398 11 HD1 PHE 2 HD1 PHE 2 6.626 15.579 -5.991 12 HD2 PHE 2 HD2 PHE 2 2.689 15.597 -7.572 13 HE1 PHE 2 HE1 PHE 2 5.975 17.364 -4.350 14 HE2 PHE 2 HE2 PHE 2 2.038 17.383 -5.932 15 HZ PHE 2 HZ PHE 2 3.689 18.244 -4.341 16 HA PRO 3 HA PRO 3 5.891 12.204 -12.191 17 2HB PRO 3 2HB PRO 3 7.955 11.200 -12.004 18 2HG PRO 3 2HG PRO 3 8.946 11.416 -9.932 19 2HD PRO 3 2HD PRO 3 7.898 13.317 -9.174 20 H ALA 4 H ALA 4 5.710 9.220 -11.457 21 HA ALA 4 HA ALA 4 3.298 8.560 -11.979 22 1HB ALA 4 1HB ALA 4 5.241 7.279 -10.688 23 2HB ALA 4 2HB ALA 4 4.172 7.546 -9.290 24 3HB ALA 4 3HB ALA 4 3.577 6.648 -10.707 25 H MET 5 H MET 5 4.085 9.951 -8.720 26 HA MET 5 HA MET 5 1.527 9.942 -7.753 27 2HB MET 5 2HB MET 5 3.729 12.033 -7.291 28 2HG MET 5 2HG MET 5 2.604 11.751 -4.872 29 1HE MET 5 1HE MET 5 2.317 13.521 -3.884 30 2HE MET 5 2HE MET 5 2.375 15.169 -4.554 31 3HE MET 5 3HE MET 5 0.805 14.404 -4.210 32 HA PRO 6 HA PRO 6 -0.274 13.004 -10.328 33 2HB PRO 6 2HB PRO 6 -2.151 11.723 -10.704 34 2HG PRO 6 2HG PRO 6 -2.426 9.963 -9.238 35 2HD PRO 6 2HD PRO 6 -0.249 9.647 -8.567 36 H LEU 7 H LEU 7 -2.440 13.254 -7.634 37 HA LEU 7 HA LEU 7 -1.009 15.433 -6.474 38 2HB LEU 7 2HB LEU 7 -1.958 16.450 -8.540 39 HG LEU 7 HG LEU 7 -4.448 15.333 -7.559 40 1HD1 LEU 7 1HD1 LEU 7 -4.135 18.259 -7.356 41 2HD1 LEU 7 2HD1 LEU 7 -5.560 17.712 -8.272 42 3HD1 LEU 7 3HD1 LEU 7 -5.317 17.165 -6.595 43 1HD2 LEU 7 1HD2 LEU 7 -3.582 15.171 -9.866 44 2HD2 LEU 7 2HD2 LEU 7 -5.220 15.864 -9.792 45 3HD2 LEU 7 3HD2 LEU 7 -3.816 16.924 -10.060 46 H SER 8 H SER 8 -1.509 13.233 -5.157 47 HA SER 8 HA SER 8 -3.444 14.062 -3.269 48 2HB SER 8 2HB SER 8 -5.157 12.588 -3.618 49 HG SER 8 HG SER 8 -5.615 12.668 -5.710 50 H SER 9 H SER 9 -0.826 13.918 -2.794 51 HA SER 9 HA SER 9 -0.614 11.519 -1.194 52 2HB SER 9 2HB SER 9 0.958 12.042 -3.581 53 HG SER 9 HG SER 9 2.992 11.306 -2.277 54 H LEU 10 H LEU 10 -0.788 12.651 0.760 55 HA LEU 10 HA LEU 10 0.305 13.615 2.508 56 2HB LEU 10 2HB LEU 10 1.988 15.293 0.676 57 HG LEU 10 HG LEU 10 1.917 15.185 3.412 58 1HD1 LEU 10 1HD1 LEU 10 3.184 12.784 2.657 59 2HD1 LEU 10 2HD1 LEU 10 4.473 13.872 3.226 60 3HD1 LEU 10 3HD1 LEU 10 3.084 13.510 4.280 61 1HD2 LEU 10 1HD2 LEU 10 3.186 16.651 1.581 62 2HD2 LEU 10 2HD2 LEU 10 3.622 16.683 3.307 63 3HD2 LEU 10 3HD2 LEU 10 4.572 15.700 2.166 64 H PHE 11 H PHE 11 -2.014 14.370 0.676 65 HA PHE 11 HA PHE 11 -2.881 16.572 2.089 66 2HB PHE 11 2HB PHE 11 -2.222 17.342 -0.782 67 HD1 PHE 11 HD1 PHE 11 -1.630 18.660 2.667 68 HD2 PHE 11 HD2 PHE 11 -3.383 19.294 -1.145 69 HE1 PHE 11 HE1 PHE 11 -2.388 20.940 3.395 70 HE2 PHE 11 HE2 PHE 11 -4.141 21.574 -0.417 71 HZ PHE 11 HZ PHE 11 -3.634 22.369 1.845 72 H VAL 12 H VAL 12 -3.811 14.000 1.127 73 HA VAL 12 HA VAL 12 -5.383 14.160 -1.146 74 HB VAL 12 HB VAL 12 -4.744 12.129 0.142 75 1HG1 VAL 12 1HG1 VAL 12 -6.183 13.488 2.238 76 2HG1 VAL 12 2HG1 VAL 12 -6.934 11.905 1.921 77 3HG1 VAL 12 3HG1 VAL 12 -5.202 12.004 2.321 78 1HG2 VAL 12 1HG2 VAL 12 -7.442 12.723 -0.931 79 2HG2 VAL 12 2HG2 VAL 12 -6.277 11.455 -1.381 80 3HG2 VAL 12 3HG2 VAL 12 -7.312 11.246 0.053 81 H ASN 13 H ASN 13 -7.787 13.317 0.897 82 HA ASN 13 HA ASN 13 -9.516 15.192 0.284 83 2HB ASN 13 2HB ASN 13 -10.746 14.643 2.369 84 1HD2 ASN 13 2HD2 ASN 13 -10.943 12.250 3.331 85 2HD2 ASN 13 1HD2 ASN 13 -10.882 11.000 2.136 86 H GLY 14 H GLY 14 -6.748 15.522 2.445 87 1HA GLY 14 1HA GLY 14 -6.902 18.331 2.547 88 2HA GLY 14 2HA GLY 14 -7.541 17.678 4.043 89 HA PRO 15 HA PRO 15 -3.085 17.791 4.662 90 2HB PRO 15 2HB PRO 15 -2.989 19.832 5.724 91 2HG PRO 15 2HG PRO 15 -5.039 20.714 6.304 92 2HD PRO 15 2HD PRO 15 -6.388 19.648 4.777 93 H ARG 16 H ARG 16 -2.042 17.302 7.220 94 HA ARG 16 HA ARG 16 -2.419 14.532 7.214 95 2HB ARG 16 2HB ARG 16 -0.351 15.942 7.974 96 2HG ARG 16 2HG ARG 16 -0.252 16.394 10.398 97 2HD ARG 16 2HD ARG 16 -1.951 18.245 10.538 98 HE ARG 16 HE ARG 16 -0.006 17.967 8.427 99 1HH1 ARG 16 1HH1 ARG 16 -2.699 19.992 9.441 100 2HH1 ARG 16 2HH1 ARG 16 -2.114 21.401 8.621 101 1HH2 ARG 16 1HH2 ARG 16 0.766 19.825 7.345 102 2HH2 ARG 16 2HH2 ARG 16 -0.130 21.305 7.421 103 H THR 17 H THR 17 -4.487 16.917 8.234 104 HA THR 17 HA THR 17 -5.366 15.481 10.639 105 HB THR 17 HB THR 17 -5.870 18.278 9.507 106 HG1 THR 17 HG1 THR 17 -4.830 18.635 11.704 107 1HG2 THR 17 1HG2 THR 17 -7.365 16.690 11.546 108 2HG2 THR 17 2HG2 THR 17 -6.786 18.273 12.119 109 3HG2 THR 17 3HG2 THR 17 -7.850 18.176 10.695 110 H LEU 18 H LEU 18 -6.103 16.032 7.266 111 HA LEU 18 HA LEU 18 -8.877 15.372 7.554 112 2HB LEU 18 2HB LEU 18 -7.991 15.053 4.882 113 HG LEU 18 HG LEU 18 -9.320 16.898 4.345 114 1HD1 LEU 18 1HD1 LEU 18 -10.328 14.921 5.974 115 2HD1 LEU 18 2HD1 LEU 18 -10.910 16.411 6.756 116 3HD1 LEU 18 3HD1 LEU 18 -11.285 16.099 5.044 117 1HD2 LEU 18 1HD2 LEU 18 -8.442 17.943 6.978 118 2HD2 LEU 18 2HD2 LEU 18 -8.670 18.775 5.421 119 3HD2 LEU 18 3HD2 LEU 18 -10.077 18.401 6.445 120 H CYS 19 H CYS 19 -6.834 13.731 5.145 121 HA CYS 19 HA CYS 19 -7.767 11.212 6.280 122 2HB CYS 19 2HB CYS 19 -6.435 11.085 3.682 123 H GLY 20 H GLY 20 -5.392 13.105 7.071 124 1HA GLY 20 1HA GLY 20 -3.293 12.858 7.829 125 2HA GLY 20 2HA GLY 20 -3.578 11.130 7.843 126 H ALA 21 H ALA 21 -1.256 13.041 6.923 127 HA ALA 21 HA ALA 21 -1.035 12.125 4.158 128 1HB ALA 21 1HB ALA 21 0.138 14.328 5.823 129 2HB ALA 21 2HB ALA 21 1.109 13.690 4.474 130 3HB ALA 21 3HB ALA 21 -0.507 14.372 4.165 131 H GLU 22 H GLU 22 -0.386 11.011 7.245 132 HA GLU 22 HA GLU 22 2.249 10.235 7.112 133 2HB GLU 22 2HB GLU 22 0.302 8.376 8.425 134 2HG GLU 22 2HG GLU 22 2.402 9.935 9.888 135 H LEU 23 H LEU 23 -0.746 8.362 6.238 136 HA LEU 23 HA LEU 23 0.101 6.010 5.510 137 2HB LEU 23 2HB LEU 23 -1.962 6.059 4.743 138 HG LEU 23 HG LEU 23 -3.008 8.173 3.688 139 1HD1 LEU 23 1HD1 LEU 23 -2.484 7.478 6.496 140 2HD1 LEU 23 2HD1 LEU 23 -2.950 9.176 6.233 141 3HD1 LEU 23 3HD1 LEU 23 -4.011 7.863 5.666 142 1HD2 LEU 23 1HD2 LEU 23 -0.409 9.124 3.885 143 2HD2 LEU 23 2HD2 LEU 23 -1.873 10.084 3.569 144 3HD2 LEU 23 3HD2 LEU 23 -1.258 9.918 5.232 145 H VAL 24 H VAL 24 0.853 9.008 3.653 146 HA VAL 24 HA VAL 24 2.487 7.471 1.822 147 HB VAL 24 HB VAL 24 1.205 9.152 0.809 148 1HG1 VAL 24 1HG1 VAL 24 2.230 11.073 2.927 149 2HG1 VAL 24 2HG1 VAL 24 1.229 11.526 1.528 150 3HG1 VAL 24 3HG1 VAL 24 0.574 10.438 2.774 151 1HG2 VAL 24 1HG2 VAL 24 4.045 9.299 0.796 152 2HG2 VAL 24 2HG2 VAL 24 2.907 9.772 -0.488 153 3HG2 VAL 24 3HG2 VAL 24 3.427 10.966 0.725 154 H ASP 25 H ASP 25 2.771 9.644 4.641 155 HA ASP 25 HA ASP 25 5.559 9.968 4.316 156 2HB ASP 25 2HB ASP 25 4.491 10.285 7.056 157 H ALA 26 H ALA 26 3.469 7.453 5.424 158 HA ALA 26 HA ALA 26 5.295 6.396 7.396 159 1HB ALA 26 1HB ALA 26 2.560 6.285 6.998 160 2HB ALA 26 2HB ALA 26 3.095 4.687 6.426 161 3HB ALA 26 3HB ALA 26 3.487 5.217 8.079 162 H LEU 27 H LEU 27 3.911 5.322 4.206 163 HA LEU 27 HA LEU 27 5.499 3.091 3.918 164 2HB LEU 27 2HB LEU 27 5.022 3.347 1.496 165 HG LEU 27 HG LEU 27 2.975 3.254 3.574 166 1HD1 LEU 27 1HD1 LEU 27 2.412 5.172 1.677 167 2HD1 LEU 27 2HD1 LEU 27 1.609 3.721 1.027 168 3HD1 LEU 27 3HD1 LEU 27 1.220 4.295 2.666 169 1HD2 LEU 27 1HD2 LEU 27 3.964 1.340 2.270 170 2HD2 LEU 27 2HD2 LEU 27 2.185 1.384 2.334 171 3HD2 LEU 27 3HD2 LEU 27 3.036 1.913 0.863 172 H GLN 28 H GLN 28 6.105 6.495 2.834 173 HA GLN 28 HA GLN 28 8.546 5.929 1.662 174 2HB GLN 28 2HB GLN 28 6.905 8.167 1.982 175 2HG GLN 28 2HG GLN 28 9.670 8.880 3.041 176 1HE2 GLN 28 2HE2 GLN 28 10.009 10.966 2.968 177 2HE2 GLN 28 1HE2 GLN 28 8.830 12.212 2.728 178 H PHE 29 H PHE 29 7.655 6.940 5.012 179 HA PHE 29 HA PHE 29 10.007 7.526 6.120 180 2HB PHE 29 2HB PHE 29 7.535 5.981 6.909 181 HD1 PHE 29 HD1 PHE 29 10.981 6.438 8.170 182 HD2 PHE 29 HD2 PHE 29 7.141 4.794 8.917 183 HE1 PHE 29 HE1 PHE 29 11.912 5.149 10.112 184 HE2 PHE 29 HE2 PHE 29 8.072 3.504 10.859 185 HZ PHE 29 HZ PHE 29 10.446 3.696 11.433 186 H VAL 30 H VAL 30 8.791 4.155 5.543 187 HA VAL 30 HA VAL 30 11.459 3.180 6.235 188 HB VAL 30 HB VAL 30 8.920 1.619 5.750 189 1HG1 VAL 30 1HG1 VAL 30 11.588 0.940 7.017 190 2HG1 VAL 30 2HG1 VAL 30 10.133 -0.070 7.194 191 3HG1 VAL 30 3HG1 VAL 30 10.835 0.205 5.581 192 1HG2 VAL 30 1HG2 VAL 30 8.539 3.207 7.573 193 2HG2 VAL 30 2HG2 VAL 30 8.650 1.543 8.197 194 3HG2 VAL 30 3HG2 VAL 30 10.026 2.658 8.381 195 H CYS 31 H CYS 31 8.884 2.852 3.695 196 HA CYS 31 HA CYS 31 10.382 1.374 1.927 197 2HB CYS 31 2HB CYS 31 8.670 3.264 0.554 198 H GLY 32 H GLY 32 10.510 4.779 2.859 199 1HA GLY 32 1HA GLY 32 12.975 5.388 1.986 200 2HA GLY 32 2HA GLY 32 12.024 5.606 0.531 201 H ASP 33 H ASP 33 13.131 7.092 3.390 202 HA ASP 33 HA ASP 33 10.994 8.708 4.047 203 2HB ASP 33 2HB ASP 33 12.546 9.926 5.355 204 H ARG 34 H ARG 34 11.479 8.480 1.088 205 HA ARG 34 HA ARG 34 12.038 11.284 0.539 206 2HB ARG 34 2HB ARG 34 12.835 10.628 -1.669 207 2HG ARG 34 2HG ARG 34 14.294 8.431 -0.704 208 2HD ARG 34 2HD ARG 34 14.694 11.246 -1.257 209 HE ARG 34 HE ARG 34 15.693 11.941 0.725 210 1HH1 ARG 34 1HH1 ARG 34 15.969 8.438 0.524 211 2HH1 ARG 34 2HH1 ARG 34 16.795 8.288 2.039 212 1HH2 ARG 34 1HH2 ARG 34 16.784 11.744 2.723 213 2HH2 ARG 34 2HH2 ARG 34 17.261 10.182 3.298 214 H GLY 35 H GLY 35 9.493 9.527 1.226 215 1HA GLY 35 1HA GLY 35 7.297 10.038 0.763 216 2HA GLY 35 2HA GLY 35 7.773 10.842 -0.719 217 H PHE 36 H PHE 36 6.017 8.294 0.353 218 HA PHE 36 HA PHE 36 6.902 6.493 -1.778 219 2HB PHE 36 2HB PHE 36 5.226 6.269 0.780 220 HD1 PHE 36 HD1 PHE 36 6.848 3.492 -0.969 221 HD2 PHE 36 HD2 PHE 36 3.148 5.378 -0.093 222 HE1 PHE 36 HE1 PHE 36 5.619 1.453 -1.767 223 HE2 PHE 36 HE2 PHE 36 1.921 3.339 -0.891 224 HZ PHE 36 HZ PHE 36 3.171 1.402 -1.718 225 H TYR 37 H TYR 37 5.369 5.634 -3.293 226 HA TYR 37 HA TYR 37 3.058 7.399 -3.635 227 2HB TYR 37 2HB TYR 37 4.457 5.323 -5.436 228 HD1 TYR 37 HD1 TYR 37 1.936 8.024 -5.160 229 HD2 TYR 37 HD2 TYR 37 3.843 5.209 -7.756 230 HE1 TYR 37 HE1 TYR 37 0.175 8.463 -6.941 231 HE2 TYR 37 HE2 TYR 37 2.076 5.658 -9.529 232 HH TYR 37 HH TYR 37 0.368 8.120 -9.785 233 H PHE 38 H PHE 38 1.076 6.673 -3.062 234 HA PHE 38 HA PHE 38 0.640 4.112 -2.100 235 2HB PHE 38 2HB PHE 38 -1.815 4.874 -2.455 236 HD1 PHE 38 HD1 PHE 38 0.525 4.926 -0.369 237 HD2 PHE 38 HD2 PHE 38 -2.174 7.860 -1.822 238 HE1 PHE 38 HE1 PHE 38 0.739 6.190 1.788 239 HE2 PHE 38 HE2 PHE 38 -1.960 9.125 0.336 240 HZ PHE 38 HZ PHE 38 -0.507 8.275 2.115 241 H ASN 39 H ASN 39 -1.762 4.954 -4.487 242 HA ASN 39 HA ASN 39 -1.572 2.439 -5.660 243 2HB ASN 39 2HB ASN 39 -2.884 4.805 -7.048 244 1HD2 ASN 39 2HD2 ASN 39 -3.237 1.561 -5.619 245 2HD2 ASN 39 1HD2 ASN 39 -4.121 0.841 -6.923 246 H LYS 40 H LYS 40 -1.952 3.099 -8.488 247 HA LYS 40 HA LYS 40 0.807 3.814 -9.150 248 2HB LYS 40 2HB LYS 40 -0.480 1.583 -9.815 249 2HG LYS 40 2HG LYS 40 -1.149 3.568 -12.040 250 2HD LYS 40 2HD LYS 40 -0.281 1.147 -12.642 251 2HE LYS 40 2HE LYS 40 -3.094 0.246 -12.382 252 1HZ LYS 40 1HZ LYS 40 -0.457 -0.908 -11.806 253 2HZ LYS 40 2HZ LYS 40 -1.860 -1.727 -11.641 254 3HZ LYS 40 3HZ LYS 40 -1.392 -1.199 -13.113 255 HA PRO 41 HA PRO 41 -0.429 7.294 -11.408 256 2HB PRO 41 2HB PRO 41 1.605 7.577 -12.450 257 2HG PRO 41 2HG PRO 41 2.809 5.633 -12.755 258 2HD PRO 41 2HD PRO 41 1.913 4.332 -11.084 259 H THR 42 H THR 42 -2.667 7.165 -11.357 260 HA THR 42 HA THR 42 -4.291 5.646 -12.812 261 HB THR 42 HB THR 42 -4.445 8.651 -12.256 262 HG1 THR 42 HG1 THR 42 -4.371 7.290 -10.386 263 1HG2 THR 42 1HG2 THR 42 -6.143 7.398 -14.013 264 2HG2 THR 42 2HG2 THR 42 -6.910 6.959 -12.468 265 3HG2 THR 42 3HG2 THR 42 -6.677 8.672 -12.890 266 H GLY 43 H GLY 43 -3.935 8.919 -14.216 267 1HA GLY 43 1HA GLY 43 -4.626 8.445 -16.734 268 2HA GLY 43 2HA GLY 43 -3.325 9.543 -16.320 269 H TYR 44 H TYR 44 -4.155 6.262 -17.431 270 HA TYR 44 HA TYR 44 -1.606 6.078 -18.744 271 2HB TYR 44 2HB TYR 44 -2.433 3.783 -16.922 272 HD1 TYR 44 HD1 TYR 44 -0.948 3.403 -19.381 273 HD2 TYR 44 HD2 TYR 44 0.475 4.650 -15.544 274 HE1 TYR 44 HE1 TYR 44 1.362 2.502 -19.937 275 HE2 TYR 44 HE2 TYR 44 2.782 3.745 -16.114 276 HH TYR 44 HH TYR 44 3.309 1.720 -18.801 277 H GLY 45 H GLY 45 -1.800 4.923 -20.631 278 1HA GLY 45 1HA GLY 45 -4.105 4.356 -21.849 279 2HA GLY 45 2HA GLY 45 -2.645 3.427 -22.119 280 H SER 46 H SER 46 -2.615 2.440 -19.237 281 HA SER 46 HA SER 46 -4.485 0.300 -19.717 282 2HB SER 46 2HB SER 46 -2.409 0.542 -17.500 283 HG SER 46 HG SER 46 -2.595 -1.707 -17.399 284 H SER 47 H SER 47 -6.354 1.826 -19.247 285 HA SER 47 HA SER 47 -6.590 2.855 -16.636 286 2HB SER 47 2HB SER 47 -8.300 2.676 -19.085 287 HG SER 47 HG SER 47 -9.952 3.802 -17.488 288 H SER 48 H SER 48 -6.014 0.712 -15.546 289 HA SER 48 HA SER 48 -8.198 -1.178 -15.600 290 2HB SER 48 2HB SER 48 -6.667 -2.625 -14.279 291 HG SER 48 HG SER 48 -5.986 -3.092 -16.258 292 H ARG 49 H ARG 49 -9.808 -1.074 -14.078 293 HA ARG 49 HA ARG 49 -10.180 0.812 -12.310 294 2HB ARG 49 2HB ARG 49 -11.923 -0.794 -12.587 295 2HG ARG 49 2HG ARG 49 -11.128 -3.167 -11.302 296 2HD ARG 49 2HD ARG 49 -12.310 -2.457 -13.689 297 HE ARG 49 HE ARG 49 -9.530 -2.937 -14.331 298 1HH1 ARG 49 1HH1 ARG 49 -12.798 -3.604 -15.450 299 2HH1 ARG 49 2HH1 ARG 49 -12.330 -3.783 -17.108 300 1HH2 ARG 49 1HH2 ARG 49 -8.912 -3.173 -16.518 301 2HH2 ARG 49 2HH2 ARG 49 -10.105 -3.537 -17.720 302 H ARG 50 H ARG 50 -8.809 1.665 -10.770 303 HA ARG 50 HA ARG 50 -6.601 0.704 -9.788 304 2HB ARG 50 2HB ARG 50 -7.627 2.924 -9.197 305 2HG ARG 50 2HG ARG 50 -9.774 1.470 -8.284 306 2HD ARG 50 2HD ARG 50 -8.870 2.591 -5.691 307 HE ARG 50 HE ARG 50 -9.808 -0.137 -5.748 308 1HH1 ARG 50 1HH1 ARG 50 -10.891 3.166 -6.297 309 2HH1 ARG 50 2HH1 ARG 50 -12.547 2.820 -5.921 310 1HH2 ARG 50 1HH2 ARG 50 -11.992 -0.592 -5.252 311 2HH2 ARG 50 2HH2 ARG 50 -13.176 0.669 -5.322 312 H ALA 51 H ALA 51 -6.081 -1.301 -8.963 313 HA ALA 51 HA ALA 51 -7.722 -3.224 -8.092 314 1HB ALA 51 1HB ALA 51 -4.914 -2.463 -7.244 315 2HB ALA 51 2HB ALA 51 -5.702 -3.945 -6.650 316 3HB ALA 51 3HB ALA 51 -5.427 -3.720 -8.395 317 H CYS 52 H CYS 52 -5.848 -1.294 -5.652 318 HA CYS 52 HA CYS 52 -7.662 -0.102 -4.215 319 2HB CYS 52 2HB CYS 52 -8.091 -3.044 -3.795 320 HG CYS 52 HG CYS 52 -8.858 -0.602 -1.699 321 H GLN 53 H GLN 53 -4.969 -2.335 -4.418 322 HA GLN 53 HA GLN 53 -3.878 -2.576 -2.071 323 2HB GLN 53 2HB GLN 53 -2.227 -3.223 -3.471 324 2HG GLN 53 2HG GLN 53 -3.540 -1.258 -5.381 325 1HE2 GLN 53 2HE2 GLN 53 -2.797 -1.214 -7.528 326 2HE2 GLN 53 1HE2 GLN 53 -1.132 -1.473 -7.933 327 H THR 54 H THR 54 -4.186 0.546 -3.812 328 HA THR 54 HA THR 54 -2.594 2.034 -2.004 329 HB THR 54 HB THR 54 -3.005 2.829 -4.273 330 HG1 THR 54 HG1 THR 54 -4.245 4.876 -3.556 331 1HG2 THR 54 1HG2 THR 54 -5.951 2.703 -3.452 332 2HG2 THR 54 2HG2 THR 54 -5.368 3.626 -4.857 333 3HG2 THR 54 3HG2 THR 54 -5.183 1.855 -4.816 334 H GLY 55 H GLY 55 -4.563 0.210 -0.713 335 1HA GLY 55 1HA GLY 55 -6.646 1.830 0.380 336 2HA GLY 55 2HA GLY 55 -6.136 0.238 0.910 337 H ILE 56 H ILE 56 -3.360 2.171 0.712 338 HA ILE 56 HA ILE 56 -3.095 2.246 3.529 339 HB ILE 56 HB ILE 56 -1.465 2.605 1.193 340 2HG1 ILE 56 2HG1 ILE 56 -0.510 2.303 4.039 341 1HG2 ILE 56 1HG2 ILE 56 -1.761 5.043 2.189 342 2HG2 ILE 56 2HG2 ILE 56 -0.538 4.459 3.341 343 3HG2 ILE 56 3HG2 ILE 56 -0.190 4.454 1.595 344 1HD1 ILE 56 1HD1 ILE 56 -2.263 0.509 2.439 345 2HD1 ILE 56 2HD1 ILE 56 -0.798 -0.262 3.092 346 3HD1 ILE 56 3HD1 ILE 56 -1.953 0.531 4.191 347 H VAL 57 H VAL 57 -4.767 4.219 1.288 348 HA VAL 57 HA VAL 57 -4.658 6.468 3.178 349 HB VAL 57 HB VAL 57 -5.749 7.288 0.708 350 1HG1 VAL 57 1HG1 VAL 57 -4.432 8.615 2.369 351 2HG1 VAL 57 2HG1 VAL 57 -2.961 7.791 1.799 352 3HG1 VAL 57 3HG1 VAL 57 -3.889 8.826 0.686 353 1HG2 VAL 57 1HG2 VAL 57 -3.263 5.584 0.386 354 2HG2 VAL 57 2HG2 VAL 57 -4.818 5.433 -0.467 355 3HG2 VAL 57 3HG2 VAL 57 -3.758 6.826 -0.788 356 H ASP 58 H ASP 58 -6.666 4.274 1.176 357 HA ASP 58 HA ASP 58 -9.048 5.507 2.202 358 2HB ASP 58 2HB ASP 58 -9.225 2.915 0.736 359 H GLU 59 H GLU 59 -7.008 2.580 2.541 360 HA GLU 59 HA GLU 59 -8.936 1.359 4.296 361 2HB GLU 59 2HB GLU 59 -6.216 0.165 3.962 362 2HG GLU 59 2HG GLU 59 -8.893 -1.106 3.334 363 H CYS 60 H CYS 60 -6.164 3.457 4.428 364 HA CYS 60 HA CYS 60 -5.452 2.687 7.106 365 2HB CYS 60 2HB CYS 60 -4.465 5.124 5.638 366 H CYS 61 H CYS 61 -7.179 5.292 5.314 367 HA CYS 61 HA CYS 61 -7.558 6.942 7.558 368 2HB CYS 61 2HB CYS 61 -9.568 7.696 5.953 369 H PHE 62 H PHE 62 -9.345 4.229 6.019 370 HA PHE 62 HA PHE 62 -11.530 4.532 7.894 371 2HB PHE 62 2HB PHE 62 -10.811 2.594 5.617 372 HD1 PHE 62 HD1 PHE 62 -14.108 3.844 6.718 373 HD2 PHE 62 HD2 PHE 62 -11.534 0.484 6.423 374 HE1 PHE 62 HE1 PHE 62 -16.016 2.330 7.325 375 HE2 PHE 62 HE2 PHE 62 -13.442 -1.030 7.030 376 HZ PHE 62 HZ PHE 62 -15.659 -0.089 7.474 377 H ARG 63 H ARG 63 -8.985 2.102 7.007 378 HA ARG 63 HA ARG 63 -9.609 0.770 9.508 379 2HB ARG 63 2HB ARG 63 -7.642 -0.595 7.800 380 2HG ARG 63 2HG ARG 63 -10.482 -1.299 8.682 381 2HD ARG 63 2HD ARG 63 -8.791 -2.586 6.788 382 HE ARG 63 HE ARG 63 -7.955 -3.489 9.286 383 1HH1 ARG 63 1HH1 ARG 63 -9.608 -4.954 6.546 384 2HH1 ARG 63 2HH1 ARG 63 -8.979 -6.539 6.850 385 1HH2 ARG 63 1HH2 ARG 63 -7.124 -5.580 9.687 386 2HH2 ARG 63 2HH2 ARG 63 -7.555 -6.897 8.649 387 H SER 64 H SER 64 -8.415 2.023 11.018 388 HA SER 64 HA SER 64 -6.217 3.353 10.870 389 2HB SER 64 2HB SER 64 -5.658 2.720 13.174 390 HG SER 64 HG SER 64 -8.056 3.509 12.416 391 H CYS 65 H CYS 65 -4.406 3.010 9.623 392 HA CYS 65 HA CYS 65 -3.143 0.377 9.888 393 2HB CYS 65 2HB CYS 65 -4.238 1.225 7.598 394 H ASP 66 H ASP 66 -1.669 0.978 11.532 395 HA ASP 66 HA ASP 66 -0.456 3.416 11.734 396 2HB ASP 66 2HB ASP 66 1.152 2.298 13.214 397 H LEU 67 H LEU 67 2.323 1.685 11.866 398 HA LEU 67 HA LEU 67 3.137 2.539 9.209 399 2HB LEU 67 2HB LEU 67 4.330 2.435 11.808 400 HG LEU 67 HG LEU 67 5.400 0.373 10.253 401 1HD1 LEU 67 1HD1 LEU 67 6.694 2.925 9.590 402 2HD1 LEU 67 2HD1 LEU 67 7.816 1.661 10.146 403 3HD1 LEU 67 3HD1 LEU 67 6.747 1.353 8.758 404 1HD2 LEU 67 1HD2 LEU 67 6.103 1.845 12.729 405 2HD2 LEU 67 2HD2 LEU 67 5.851 0.105 12.450 406 3HD2 LEU 67 3HD2 LEU 67 7.395 0.866 11.993 407 H ARG 68 H ARG 68 2.115 -0.286 10.925 408 HA ARG 68 HA ARG 68 3.670 -2.217 9.802 409 2HB ARG 68 2HB ARG 68 0.663 -2.472 10.291 410 2HG ARG 68 2HG ARG 68 2.327 -4.384 9.351 411 2HD ARG 68 2HD ARG 68 2.560 -4.597 12.393 412 HE ARG 68 HE ARG 68 4.079 -6.368 10.609 413 1HH1 ARG 68 1HH1 ARG 68 1.113 -5.966 12.460 414 2HH1 ARG 68 2HH1 ARG 68 0.798 -7.667 12.565 415 1HH2 ARG 68 1HH2 ARG 68 3.664 -8.611 10.748 416 2HH2 ARG 68 2HH2 ARG 68 2.259 -9.181 11.585 417 H ARG 69 H ARG 69 0.593 -0.729 8.581 418 HA ARG 69 HA ARG 69 0.306 -2.312 6.373 419 2HB ARG 69 2HB ARG 69 -0.471 0.451 5.797 420 2HG ARG 69 2HG ARG 69 -1.639 -1.638 5.012 421 2HD ARG 69 2HD ARG 69 -1.811 -2.058 7.940 422 HE ARG 69 HE ARG 69 -4.267 -1.469 6.849 423 1HH1 ARG 69 1HH1 ARG 69 -2.798 -4.478 7.929 424 2HH1 ARG 69 2HH1 ARG 69 -4.306 -5.206 8.369 425 1HH2 ARG 69 1HH2 ARG 69 -6.258 -2.428 7.430 426 2HH2 ARG 69 2HH2 ARG 69 -6.289 -4.031 8.083 427 H LEU 70 H LEU 70 1.984 0.894 6.730 428 HA LEU 70 HA LEU 70 2.728 1.346 4.167 429 2HB LEU 70 2HB LEU 70 3.170 2.559 6.482 430 HG LEU 70 HG LEU 70 5.098 0.912 7.002 431 1HD1 LEU 70 1HD1 LEU 70 5.967 1.366 4.538 432 2HD1 LEU 70 2HD1 LEU 70 6.824 2.699 5.349 433 3HD1 LEU 70 3HD1 LEU 70 7.082 1.020 5.882 434 1HD2 LEU 70 1HD2 LEU 70 5.004 3.868 7.260 435 2HD2 LEU 70 2HD2 LEU 70 5.078 2.599 8.508 436 3HD2 LEU 70 3HD2 LEU 70 6.554 3.078 7.637 437 H GLU 71 H GLU 71 4.093 -1.025 6.478 438 HA GLU 71 HA GLU 71 6.255 -1.658 4.768 439 2HB GLU 71 2HB GLU 71 5.624 -2.111 7.443 440 2HG GLU 71 2HG GLU 71 5.592 -4.745 5.897 441 H MET 72 H MET 72 2.918 -2.799 5.258 442 HA MET 72 HA MET 72 3.189 -5.247 3.983 443 2HB MET 72 2HB MET 72 0.567 -4.328 3.466 444 2HG MET 72 2HG MET 72 -0.008 -5.500 5.620 445 1HE MET 72 1HE MET 72 3.354 -7.058 5.180 446 2HE MET 72 2HE MET 72 2.236 -8.136 6.050 447 3HE MET 72 3HE MET 72 2.917 -8.636 4.483 448 H TYR 73 H TYR 73 1.893 -2.089 2.708 449 HA TYR 73 HA TYR 73 1.928 -3.114 0.023 450 2HB TYR 73 2HB TYR 73 1.618 -0.263 1.146 451 HD1 TYR 73 HD1 TYR 73 1.426 -2.526 -1.685 452 HD2 TYR 73 HD2 TYR 73 0.033 1.212 -0.137 453 HE1 TYR 73 HE1 TYR 73 0.724 -1.812 -4.021 454 HE2 TYR 73 HE2 TYR 73 -0.665 1.913 -2.478 455 HH TYR 73 HH TYR 73 -1.323 0.199 -4.750 456 H CYS 74 H CYS 74 4.039 -1.219 2.152 457 HA CYS 74 HA CYS 74 5.604 0.349 1.169 458 2HB CYS 74 2HB CYS 74 6.996 -2.309 1.384 459 H ALA 75 H ALA 75 4.117 -0.134 -1.092 460 HA ALA 75 HA ALA 75 4.926 -1.698 -3.092 461 1HB ALA 75 1HB ALA 75 3.130 0.052 -3.141 462 2HB ALA 75 2HB ALA 75 4.391 1.288 -3.363 463 3HB ALA 75 3HB ALA 75 4.141 0.038 -4.605 464 HA PRO 76 HA PRO 76 9.197 -0.514 -3.250 465 2HB PRO 76 2HB PRO 76 9.986 -2.551 -2.521 466 2HG PRO 76 2HG PRO 76 8.412 -4.237 -2.484 467 2HD PRO 76 2HD PRO 76 6.487 -2.993 -2.312 468 H LEU 77 H LEU 77 6.921 -1.244 -5.576 469 HA LEU 77 HA LEU 77 8.141 -1.468 -7.916 470 2HB LEU 77 2HB LEU 77 6.060 0.665 -7.505 471 HG LEU 77 HG LEU 77 6.738 0.282 -9.838 472 1HD1 LEU 77 1HD1 LEU 77 6.088 -2.593 -9.192 473 2HD1 LEU 77 2HD1 LEU 77 6.086 -1.967 -10.859 474 3HD1 LEU 77 3HD1 LEU 77 7.577 -1.911 -9.888 475 1HD2 LEU 77 1HD2 LEU 77 4.298 0.692 -9.007 476 2HD2 LEU 77 2HD2 LEU 77 4.601 0.267 -10.709 477 3HD2 LEU 77 3HD2 LEU 77 4.025 -0.974 -9.571 478 H LYS 78 H LYS 78 10.201 -0.714 -8.275 479 HA LYS 78 HA LYS 78 10.946 1.928 -7.527 480 2HB LYS 78 2HB LYS 78 12.649 0.572 -9.490 481 2HG LYS 78 2HG LYS 78 14.106 0.694 -7.249 482 2HD LYS 78 2HD LYS 78 13.659 2.430 -9.457 483 2HE LYS 78 2HE LYS 78 14.165 4.093 -6.968 484 1HZ LYS 78 1HZ LYS 78 13.912 4.503 -9.767 485 2HZ LYS 78 2HZ LYS 78 12.964 5.514 -8.904 486 3HZ LYS 78 3HZ LYS 78 14.573 5.473 -8.631 487 HA PRO 79 HA PRO 79 10.432 2.647 -12.167 488 2HB PRO 79 2HB PRO 79 11.017 0.917 -13.570 489 2HG PRO 79 2HG PRO 79 10.986 -1.170 -12.590 490 2HD PRO 79 2HD PRO 79 11.275 -0.591 -10.384 491 H ALA 80 H ALA 80 8.849 3.847 -13.256 492 HA ALA 80 HA ALA 80 6.122 3.144 -12.808 493 1HB ALA 80 1HB ALA 80 6.966 4.184 -10.596 494 2HB ALA 80 2HB ALA 80 7.049 5.716 -11.498 495 3HB ALA 80 3HB ALA 80 5.492 4.873 -11.318 496 H LYS 81 H LYS 81 8.006 6.234 -13.182 497 HA LYS 81 HA LYS 81 7.802 6.373 -15.933 498 2HB LYS 81 2HB LYS 81 5.425 6.438 -15.792 499 2HG LYS 81 2HG LYS 81 5.963 7.979 -13.350 500 2HD LYS 81 2HD LYS 81 5.037 9.652 -15.306 501 2HE LYS 81 2HE LYS 81 2.475 9.004 -13.877 502 1HZ LYS 81 1HZ LYS 81 3.379 10.420 -16.165 503 2HZ LYS 81 2HZ LYS 81 2.077 9.490 -16.490 504 3HZ LYS 81 3HZ LYS 81 2.005 10.609 -15.303 505 H SER 82 H SER 82 9.674 6.844 -13.815 506 HA SER 82 HA SER 82 10.124 9.094 -12.712 507 2HB SER 82 2HB SER 82 11.960 7.633 -14.630 508 HG SER 82 HG SER 82 13.461 9.109 -12.996 509 H ALA 83 H ALA 83 9.730 11.233 -13.134 510 HA ALA 83 HA ALA 83 9.667 12.053 -15.942 511 1HB ALA 83 1HB ALA 83 7.632 12.428 -14.617 512 2HB ALA 83 2HB ALA 83 8.568 13.344 -13.411 513 3HB ALA 83 3HB ALA 83 8.377 13.982 -15.062 Start of MODEL 8 1 H MET 1 H MET 1 -0.552 -1.634 -6.821 2 HA MET 1 HA MET 1 -2.905 -0.279 -7.870 3 2HB MET 1 2HB MET 1 -2.223 1.050 -6.075 4 2HG MET 1 2HG MET 1 -0.405 -0.519 -5.383 5 1HE MET 1 1HE MET 1 1.787 -1.128 -5.076 6 2HE MET 1 2HE MET 1 1.743 -2.168 -6.520 7 3HE MET 1 3HE MET 1 3.124 -1.077 -6.251 8 H PHE 2 H PHE 2 -2.180 -1.579 -9.942 9 HA PHE 2 HA PHE 2 -0.144 -1.474 -11.464 10 2HB PHE 2 2HB PHE 2 -2.396 -0.021 -12.798 11 HD1 PHE 2 HD1 PHE 2 -0.858 -3.377 -12.237 12 HD2 PHE 2 HD2 PHE 2 -2.515 -0.636 -15.021 13 HE1 PHE 2 HE1 PHE 2 -0.262 -4.928 -14.118 14 HE2 PHE 2 HE2 PHE 2 -1.919 -2.188 -16.903 15 HZ PHE 2 HZ PHE 2 -0.799 -4.315 -16.428 16 HA PRO 3 HA PRO 3 1.418 2.580 -11.710 17 2HB PRO 3 2HB PRO 3 3.589 1.813 -11.769 18 2HG PRO 3 2HG PRO 3 3.810 -0.407 -12.355 19 2HD PRO 3 2HD PRO 3 1.737 -1.197 -11.751 20 H ALA 4 H ALA 4 1.022 0.873 -14.772 21 HA ALA 4 HA ALA 4 1.023 2.773 -16.578 22 1HB ALA 4 1HB ALA 4 -0.980 0.562 -16.086 23 2HB ALA 4 2HB ALA 4 -1.123 1.618 -17.511 24 3HB ALA 4 3HB ALA 4 0.343 0.636 -17.274 25 H MET 5 H MET 5 -2.224 2.091 -15.132 26 HA MET 5 HA MET 5 -3.321 4.462 -15.830 27 2HB MET 5 2HB MET 5 -4.402 3.695 -13.262 28 2HG MET 5 2HG MET 5 -5.415 2.512 -15.850 29 1HE MET 5 1HE MET 5 -6.548 0.822 -14.162 30 2HE MET 5 2HE MET 5 -8.260 1.232 -13.895 31 3HE MET 5 3HE MET 5 -7.554 1.378 -15.523 32 HA PRO 6 HA PRO 6 -2.096 7.456 -12.921 33 2HB PRO 6 2HB PRO 6 -3.654 9.010 -13.597 34 2HG PRO 6 2HG PRO 6 -5.578 8.115 -14.501 35 2HD PRO 6 2HD PRO 6 -4.787 6.074 -15.205 36 H LEU 7 H LEU 7 -3.107 8.590 -10.580 37 HA LEU 7 HA LEU 7 -3.677 6.440 -8.788 38 2HB LEU 7 2HB LEU 7 -1.465 5.862 -8.763 39 HG LEU 7 HG LEU 7 -0.894 8.653 -9.491 40 1HD1 LEU 7 1HD1 LEU 7 0.923 7.242 -7.520 41 2HD1 LEU 7 2HD1 LEU 7 1.328 8.715 -8.434 42 3HD1 LEU 7 3HD1 LEU 7 0.009 8.743 -7.240 43 1HD2 LEU 7 1HD2 LEU 7 -0.409 6.140 -10.528 44 2HD2 LEU 7 2HD2 LEU 7 0.322 7.667 -11.080 45 3HD2 LEU 7 3HD2 LEU 7 1.183 6.640 -9.909 46 H SER 8 H SER 8 -3.291 7.518 -6.371 47 HA SER 8 HA SER 8 -3.777 10.310 -6.389 48 2HB SER 8 2HB SER 8 -6.036 10.401 -5.816 49 HG SER 8 HG SER 8 -7.206 8.902 -7.187 50 H SER 9 H SER 9 -1.683 9.162 -5.209 51 HA SER 9 HA SER 9 -2.435 8.414 -2.523 52 2HB SER 9 2HB SER 9 -0.718 6.988 -2.975 53 HG SER 9 HG SER 9 0.719 7.240 -4.687 54 H LEU 10 H LEU 10 -3.264 10.875 -2.553 55 HA LEU 10 HA LEU 10 -2.033 12.301 -0.695 56 2HB LEU 10 2HB LEU 10 0.038 12.544 -1.643 57 HG LEU 10 HG LEU 10 -1.100 12.015 -4.124 58 1HD1 LEU 10 1HD1 LEU 10 -1.556 14.513 -4.237 59 2HD1 LEU 10 2HD1 LEU 10 0.207 14.729 -4.342 60 3HD1 LEU 10 3HD1 LEU 10 -0.652 13.802 -5.596 61 1HD2 LEU 10 1HD2 LEU 10 1.543 12.312 -2.941 62 2HD2 LEU 10 2HD2 LEU 10 0.951 11.149 -4.151 63 3HD2 LEU 10 3HD2 LEU 10 1.524 12.754 -4.665 64 H PHE 11 H PHE 11 -4.598 11.747 -1.790 65 HA PHE 11 HA PHE 11 -5.621 14.404 -1.829 66 2HB PHE 11 2HB PHE 11 -6.393 12.697 -4.214 67 HD1 PHE 11 HD1 PHE 11 -8.434 14.140 -4.012 68 HD2 PHE 11 HD2 PHE 11 -4.584 15.770 -4.738 69 HE1 PHE 11 HE1 PHE 11 -9.489 16.272 -4.812 70 HE2 PHE 11 HE2 PHE 11 -5.639 17.902 -5.538 71 HZ PHE 11 HZ PHE 11 -8.078 18.128 -5.566 72 H VAL 12 H VAL 12 -5.752 11.674 -0.421 73 HA VAL 12 HA VAL 12 -8.081 10.342 -0.939 74 HB VAL 12 HB VAL 12 -6.165 9.944 0.749 75 1HG1 VAL 12 1HG1 VAL 12 -8.108 11.497 2.493 76 2HG1 VAL 12 2HG1 VAL 12 -6.732 10.533 3.085 77 3HG1 VAL 12 3HG1 VAL 12 -6.444 11.971 2.075 78 1HG2 VAL 12 1HG2 VAL 12 -8.708 8.855 0.417 79 2HG2 VAL 12 2HG2 VAL 12 -7.353 8.135 1.318 80 3HG2 VAL 12 3HG2 VAL 12 -8.571 9.111 2.172 81 H ASN 13 H ASN 13 -7.607 13.194 1.262 82 HA ASN 13 HA ASN 13 -10.495 13.488 1.239 83 2HB ASN 13 2HB ASN 13 -9.779 15.314 3.067 84 1HD2 ASN 13 2HD2 ASN 13 -10.452 14.764 5.070 85 2HD2 ASN 13 1HD2 ASN 13 -10.929 13.170 5.554 86 H GLY 14 H GLY 14 -8.030 14.359 -0.686 87 1HA GLY 14 1HA GLY 14 -8.656 16.092 -2.329 88 2HA GLY 14 2HA GLY 14 -8.901 17.174 -0.972 89 HA PRO 15 HA PRO 15 -4.678 18.156 -1.036 90 2HB PRO 15 2HB PRO 15 -4.951 19.880 0.467 91 2HG PRO 15 2HG PRO 15 -6.781 19.669 1.854 92 2HD PRO 15 2HD PRO 15 -8.109 18.298 0.572 93 H ARG 16 H ARG 16 -2.452 17.855 0.287 94 HA ARG 16 HA ARG 16 -2.295 14.971 0.356 95 2HB ARG 16 2HB ARG 16 -0.585 15.767 -1.050 96 2HG ARG 16 2HG ARG 16 0.902 17.772 -0.054 97 2HD ARG 16 2HD ARG 16 -1.664 17.777 -1.628 98 HE ARG 16 HE ARG 16 -1.168 19.996 -0.041 99 1HH1 ARG 16 1HH1 ARG 16 -1.064 19.396 -3.507 100 2HH1 ARG 16 2HH1 ARG 16 -1.469 21.027 -3.930 101 1HH2 ARG 16 1HH2 ARG 16 -1.702 22.147 -0.599 102 2HH2 ARG 16 2HH2 ARG 16 -1.834 22.601 -2.266 103 H THR 17 H THR 17 -2.057 17.878 2.362 104 HA THR 17 HA THR 17 -0.797 16.455 4.555 105 HB THR 17 HB THR 17 -0.621 18.646 5.519 106 HG1 THR 17 HG1 THR 17 -2.656 19.331 3.516 107 1HG2 THR 17 1HG2 THR 17 0.355 18.333 2.990 108 2HG2 THR 17 2HG2 THR 17 -0.822 19.633 2.687 109 3HG2 THR 17 3HG2 THR 17 0.482 19.872 3.874 110 H LEU 18 H LEU 18 -3.606 15.839 3.337 111 HA LEU 18 HA LEU 18 -5.212 16.321 5.714 112 2HB LEU 18 2HB LEU 18 -6.303 14.811 3.419 113 HG LEU 18 HG LEU 18 -8.185 16.317 3.614 114 1HD1 LEU 18 1HD1 LEU 18 -7.232 15.196 6.258 115 2HD1 LEU 18 2HD1 LEU 18 -8.871 15.833 5.981 116 3HD1 LEU 18 3HD1 LEU 18 -8.295 14.425 5.057 117 1HD2 LEU 18 1HD2 LEU 18 -6.261 18.007 4.988 118 2HD2 LEU 18 2HD2 LEU 18 -7.819 18.421 4.234 119 3HD2 LEU 18 3HD2 LEU 18 -7.772 17.832 5.913 120 H CYS 19 H CYS 19 -6.589 13.638 4.565 121 HA CYS 19 HA CYS 19 -5.275 12.013 6.549 122 2HB CYS 19 2HB CYS 19 -7.453 10.871 4.903 123 H GLY 20 H GLY 20 -3.959 12.863 3.927 124 1HA GLY 20 1HA GLY 20 -3.361 10.142 2.942 125 2HA GLY 20 2HA GLY 20 -3.634 11.478 1.842 126 H ALA 21 H ALA 21 -2.207 12.596 4.760 127 HA ALA 21 HA ALA 21 0.357 12.825 3.386 128 1HB ALA 21 1HB ALA 21 -1.262 14.569 4.933 129 2HB ALA 21 2HB ALA 21 0.190 14.231 5.907 130 3HB ALA 21 3HB ALA 21 0.355 14.892 4.263 131 H GLU 22 H GLU 22 -1.293 11.027 5.853 132 HA GLU 22 HA GLU 22 1.118 10.487 7.307 133 2HB GLU 22 2HB GLU 22 -1.612 9.166 7.606 134 2HG GLU 22 2HG GLU 22 0.953 8.929 8.978 135 H LEU 23 H LEU 23 -1.389 8.306 5.815 136 HA LEU 23 HA LEU 23 -0.018 6.021 5.713 137 2HB LEU 23 2HB LEU 23 -2.136 5.827 4.932 138 HG LEU 23 HG LEU 23 -2.904 7.130 2.803 139 1HD1 LEU 23 1HD1 LEU 23 -3.199 7.552 5.617 140 2HD1 LEU 23 2HD1 LEU 23 -3.191 9.131 4.796 141 3HD1 LEU 23 3HD1 LEU 23 -4.354 7.877 4.302 142 1HD2 LEU 23 1HD2 LEU 23 -0.578 8.185 2.583 143 2HD2 LEU 23 2HD2 LEU 23 -1.993 9.250 2.400 144 3HD2 LEU 23 3HD2 LEU 23 -1.071 9.248 3.923 145 H VAL 24 H VAL 24 0.631 8.944 3.810 146 HA VAL 24 HA VAL 24 2.393 7.616 1.997 147 HB VAL 24 HB VAL 24 1.370 9.499 1.130 148 1HG1 VAL 24 1HG1 VAL 24 0.494 10.407 3.234 149 2HG1 VAL 24 2HG1 VAL 24 2.110 11.030 3.648 150 3HG1 VAL 24 3HG1 VAL 24 1.236 11.687 2.243 151 1HG2 VAL 24 1HG2 VAL 24 4.051 9.418 1.144 152 2HG2 VAL 24 2HG2 VAL 24 3.131 10.713 0.340 153 3HG2 VAL 24 3HG2 VAL 24 3.820 10.983 1.958 154 H ASP 25 H ASP 25 2.747 9.728 4.919 155 HA ASP 25 HA ASP 25 5.484 9.821 4.894 156 2HB ASP 25 2HB ASP 25 4.322 9.587 7.600 157 H ALA 26 H ALA 26 3.163 7.338 6.008 158 HA ALA 26 HA ALA 26 4.871 5.844 7.628 159 1HB ALA 26 1HB ALA 26 2.259 5.779 7.117 160 2HB ALA 26 2HB ALA 26 2.754 4.532 5.948 161 3HB ALA 26 3HB ALA 26 3.124 4.328 7.677 162 H LEU 27 H LEU 27 3.972 5.408 4.130 163 HA LEU 27 HA LEU 27 5.890 3.360 3.764 164 2HB LEU 27 2HB LEU 27 5.266 3.450 1.467 165 HG LEU 27 HG LEU 27 3.209 3.403 3.491 166 1HD1 LEU 27 1HD1 LEU 27 2.580 5.434 1.890 167 2HD1 LEU 27 2HD1 LEU 27 1.972 4.107 0.873 168 3HD1 LEU 27 3HD1 LEU 27 1.357 4.311 2.531 169 1HD2 LEU 27 1HD2 LEU 27 3.606 2.088 0.798 170 2HD2 LEU 27 2HD2 LEU 27 3.872 1.401 2.419 171 3HD2 LEU 27 3HD2 LEU 27 2.217 1.742 1.857 172 H GLN 28 H GLN 28 5.884 6.912 3.499 173 HA GLN 28 HA GLN 28 8.321 6.987 2.072 174 2HB GLN 28 2HB GLN 28 7.779 9.430 3.557 175 2HG GLN 28 2HG GLN 28 6.991 9.208 0.694 176 1HE2 GLN 28 2HE2 GLN 28 7.473 11.059 -0.364 177 2HE2 GLN 28 1HE2 GLN 28 8.179 12.462 0.367 178 H PHE 29 H PHE 29 7.603 6.027 5.202 179 HA PHE 29 HA PHE 29 9.945 7.245 6.408 180 2HB PHE 29 2HB PHE 29 7.455 5.733 7.191 181 HD1 PHE 29 HD1 PHE 29 10.973 5.915 8.295 182 HD2 PHE 29 HD2 PHE 29 7.086 4.447 9.154 183 HE1 PHE 29 HE1 PHE 29 11.926 4.439 10.089 184 HE2 PHE 29 HE2 PHE 29 8.038 2.972 10.948 185 HZ PHE 29 HZ PHE 29 10.447 2.986 11.393 186 H VAL 30 H VAL 30 8.575 3.892 6.016 187 HA VAL 30 HA VAL 30 11.310 2.884 6.250 188 HB VAL 30 HB VAL 30 8.570 1.782 6.726 189 1HG1 VAL 30 1HG1 VAL 30 9.575 0.156 5.201 190 2HG1 VAL 30 2HG1 VAL 30 11.038 0.086 6.213 191 3HG1 VAL 30 3HG1 VAL 30 9.484 -0.505 6.850 192 1HG2 VAL 30 1HG2 VAL 30 10.697 2.675 8.334 193 2HG2 VAL 30 2HG2 VAL 30 9.219 1.834 8.862 194 3HG2 VAL 30 3HG2 VAL 30 10.691 0.902 8.497 195 H CYS 31 H CYS 31 8.558 3.289 4.052 196 HA CYS 31 HA CYS 31 9.525 1.428 2.138 197 2HB CYS 31 2HB CYS 31 7.784 3.497 1.072 198 H GLY 32 H GLY 32 10.088 4.804 3.020 199 1HA GLY 32 1HA GLY 32 12.278 5.614 2.211 200 2HA GLY 32 2HA GLY 32 11.768 5.137 0.605 201 H ASP 33 H ASP 33 12.122 7.777 2.583 202 HA ASP 33 HA ASP 33 9.824 9.183 2.482 203 2HB ASP 33 2HB ASP 33 11.490 11.219 2.150 204 H ARG 34 H ARG 34 10.355 7.605 -0.059 205 HA ARG 34 HA ARG 34 10.544 9.770 -1.974 206 2HB ARG 34 2HB ARG 34 12.007 7.754 -2.296 207 2HG ARG 34 2HG ARG 34 9.393 6.283 -2.862 208 2HD ARG 34 2HD ARG 34 11.535 5.583 -4.090 209 HE ARG 34 HE ARG 34 12.571 5.552 -1.374 210 1HH1 ARG 34 1HH1 ARG 34 12.813 3.962 -4.504 211 2HH1 ARG 34 2HH1 ARG 34 14.431 3.404 -4.239 212 1HH2 ARG 34 1HH2 ARG 34 14.706 4.816 -1.023 213 2HH2 ARG 34 2HH2 ARG 34 15.515 3.893 -2.246 214 H GLY 35 H GLY 35 8.272 7.836 -0.283 215 1HA GLY 35 1HA GLY 35 6.002 7.894 -0.396 216 2HA GLY 35 2HA GLY 35 6.087 8.845 -1.865 217 H PHE 36 H PHE 36 4.857 6.047 -0.780 218 HA PHE 36 HA PHE 36 5.627 4.514 -3.157 219 2HB PHE 36 2HB PHE 36 4.631 3.928 -0.336 220 HD1 PHE 36 HD1 PHE 36 2.397 3.034 -0.736 221 HD2 PHE 36 HD2 PHE 36 5.791 1.355 -2.650 222 HE1 PHE 36 HE1 PHE 36 1.050 1.006 -1.343 223 HE2 PHE 36 HE2 PHE 36 4.444 -0.675 -3.258 224 HZ PHE 36 HZ PHE 36 2.089 -0.825 -2.597 225 H TYR 37 H TYR 37 3.882 3.258 -4.243 226 HA TYR 37 HA TYR 37 1.638 4.923 -4.724 227 2HB TYR 37 2HB TYR 37 1.225 3.214 -6.404 228 HD1 TYR 37 HD1 TYR 37 3.393 5.274 -6.303 229 HD2 TYR 37 HD2 TYR 37 3.597 1.025 -6.759 230 HE1 TYR 37 HE1 TYR 37 5.601 5.506 -7.540 231 HE2 TYR 37 HE2 TYR 37 5.806 1.271 -7.995 232 HH TYR 37 HH TYR 37 7.659 3.904 -7.863 233 H PHE 38 H PHE 38 0.118 5.173 -3.126 234 HA PHE 38 HA PHE 38 -0.532 3.025 -1.377 235 2HB PHE 38 2HB PHE 38 -2.043 4.721 -0.444 236 HD1 PHE 38 HD1 PHE 38 1.109 4.376 -0.777 237 HD2 PHE 38 HD2 PHE 38 -1.561 7.675 -0.835 238 HE1 PHE 38 HE1 PHE 38 2.961 5.890 -0.015 239 HE2 PHE 38 HE2 PHE 38 0.291 9.187 -0.074 240 HZ PHE 38 HZ PHE 38 2.530 8.277 0.327 241 H ASN 39 H ASN 39 -3.408 4.644 -2.155 242 HA ASN 39 HA ASN 39 -4.538 2.254 -3.126 243 2HB ASN 39 2HB ASN 39 -6.125 3.485 -1.929 244 1HD2 ASN 39 2HD2 ASN 39 -4.048 5.526 -3.878 245 2HD2 ASN 39 1HD2 ASN 39 -4.200 6.983 -2.954 246 H LYS 40 H LYS 40 -6.312 2.896 -5.141 247 HA LYS 40 HA LYS 40 -4.521 3.685 -7.317 248 2HB LYS 40 2HB LYS 40 -6.955 2.540 -8.272 249 2HG LYS 40 2HG LYS 40 -4.483 0.877 -8.095 250 2HD LYS 40 2HD LYS 40 -5.505 1.883 -10.700 251 2HE LYS 40 2HE LYS 40 -4.467 -0.614 -9.464 252 1HZ LYS 40 1HZ LYS 40 -6.879 -0.958 -10.317 253 2HZ LYS 40 2HZ LYS 40 -6.165 -0.971 -11.785 254 3HZ LYS 40 3HZ LYS 40 -5.717 -2.056 -10.650 255 HA PRO 41 HA PRO 41 -7.000 7.075 -8.362 256 2HB PRO 41 2HB PRO 41 -5.979 7.429 -10.396 257 2HG PRO 41 2HG PRO 41 -5.098 5.535 -11.374 258 2HD PRO 41 2HD PRO 41 -4.782 4.224 -9.512 259 H THR 42 H THR 42 -8.666 6.236 -6.861 260 HA THR 42 HA THR 42 -10.813 4.787 -7.503 261 HB THR 42 HB THR 42 -10.716 7.457 -6.001 262 HG1 THR 42 HG1 THR 42 -10.424 4.597 -5.418 263 1HG2 THR 42 1HG2 THR 42 -13.051 6.202 -6.628 264 2HG2 THR 42 2HG2 THR 42 -12.551 5.194 -5.249 265 3HG2 THR 42 3HG2 THR 42 -12.776 6.946 -5.034 266 H GLY 43 H GLY 43 -11.618 8.252 -7.540 267 1HA GLY 43 1HA GLY 43 -13.671 8.244 -9.223 268 2HA GLY 43 2HA GLY 43 -12.493 9.541 -9.202 269 H TYR 44 H TYR 44 -13.554 6.568 -10.846 270 HA TYR 44 HA TYR 44 -12.339 7.498 -13.278 271 2HB TYR 44 2HB TYR 44 -11.689 4.670 -12.356 272 HD1 TYR 44 HD1 TYR 44 -12.007 5.485 -15.148 273 HD2 TYR 44 HD2 TYR 44 -8.620 5.884 -12.566 274 HE1 TYR 44 HE1 TYR 44 -10.461 5.484 -17.166 275 HE2 TYR 44 HE2 TYR 44 -7.085 5.883 -14.593 276 HH TYR 44 HH TYR 44 -7.095 5.107 -16.857 277 H GLY 45 H GLY 45 -13.592 6.910 -15.006 278 1HA GLY 45 1HA GLY 45 -16.095 5.981 -14.856 279 2HA GLY 45 2HA GLY 45 -15.060 5.697 -16.242 280 H SER 46 H SER 46 -13.129 4.032 -14.560 281 HA SER 46 HA SER 46 -14.655 1.605 -14.821 282 2HB SER 46 2HB SER 46 -11.701 1.931 -14.145 283 HG SER 46 HG SER 46 -13.290 -0.230 -15.230 284 H SER 47 H SER 47 -16.000 2.277 -12.856 285 HA SER 47 HA SER 47 -14.684 2.354 -10.360 286 2HB SER 47 2HB SER 47 -17.639 1.788 -10.752 287 HG SER 47 HG SER 47 -16.327 2.155 -8.590 288 H SER 48 H SER 48 -13.442 0.259 -10.737 289 HA SER 48 HA SER 48 -15.157 -2.034 -10.194 290 2HB SER 48 2HB SER 48 -13.426 -3.433 -11.172 291 HG SER 48 HG SER 48 -14.521 -2.668 -12.912 292 H ARG 49 H ARG 49 -13.930 -3.806 -8.829 293 HA ARG 49 HA ARG 49 -13.612 -3.024 -6.350 294 2HB ARG 49 2HB ARG 49 -11.652 -4.988 -6.440 295 2HG ARG 49 2HG ARG 49 -14.054 -4.915 -5.373 296 2HD ARG 49 2HD ARG 49 -15.290 -6.837 -6.930 297 HE ARG 49 HE ARG 49 -15.890 -4.213 -6.140 298 1HH1 ARG 49 1HH1 ARG 49 -16.517 -6.216 -8.965 299 2HH1 ARG 49 2HH1 ARG 49 -18.004 -5.419 -9.358 300 1HH2 ARG 49 1HH2 ARG 49 -17.852 -3.163 -6.658 301 2HH2 ARG 49 2HH2 ARG 49 -18.769 -3.672 -8.036 302 H ARG 50 H ARG 50 -12.444 -1.264 -5.601 303 HA ARG 50 HA ARG 50 -10.442 0.012 -6.668 304 2HB ARG 50 2HB ARG 50 -9.674 0.622 -4.345 305 2HG ARG 50 2HG ARG 50 -12.701 0.262 -4.413 306 2HD ARG 50 2HD ARG 50 -11.663 1.239 -2.330 307 HE ARG 50 HE ARG 50 -9.902 2.541 -3.981 308 1HH1 ARG 50 1HH1 ARG 50 -12.372 3.714 -1.766 309 2HH1 ARG 50 2HH1 ARG 50 -11.537 5.192 -1.416 310 1HH2 ARG 50 1HH2 ARG 50 -8.801 4.489 -3.520 311 2HH2 ARG 50 2HH2 ARG 50 -9.492 5.634 -2.421 312 H ALA 51 H ALA 51 -8.516 -0.642 -7.574 313 HA ALA 51 HA ALA 51 -7.348 -3.040 -7.432 314 1HB ALA 51 1HB ALA 51 -6.714 -0.509 -8.431 315 2HB ALA 51 2HB ALA 51 -5.333 -0.915 -7.384 316 3HB ALA 51 3HB ALA 51 -5.799 -2.010 -8.707 317 H CYS 52 H CYS 52 -5.799 -0.342 -5.581 318 HA CYS 52 HA CYS 52 -4.627 -2.177 -3.792 319 2HB CYS 52 2HB CYS 52 -4.492 0.350 -2.595 320 HG CYS 52 HG CYS 52 -2.681 -1.199 -4.898 321 H GLN 53 H GLN 53 -6.957 -3.184 -3.448 322 HA GLN 53 HA GLN 53 -9.006 -2.084 -2.227 323 2HB GLN 53 2HB GLN 53 -7.667 -4.751 -1.917 324 2HG GLN 53 2HG GLN 53 -9.582 -3.559 0.049 325 1HE2 GLN 53 2HE2 GLN 53 -11.636 -4.075 -0.133 326 2HE2 GLN 53 1HE2 GLN 53 -12.289 -5.653 -0.423 327 H THR 54 H THR 54 -5.809 -2.671 -0.749 328 HA THR 54 HA THR 54 -6.784 -1.813 1.857 329 HB THR 54 HB THR 54 -4.306 -3.112 0.705 330 HG1 THR 54 HG1 THR 54 -4.886 -4.425 2.646 331 1HG2 THR 54 1HG2 THR 54 -4.479 -1.425 3.229 332 2HG2 THR 54 2HG2 THR 54 -3.472 -2.892 3.206 333 3HG2 THR 54 3HG2 THR 54 -3.132 -1.560 2.076 334 H GLY 55 H GLY 55 -7.071 0.108 -0.257 335 1HA GLY 55 1HA GLY 55 -5.396 1.964 -0.891 336 2HA GLY 55 2HA GLY 55 -6.871 2.412 -0.057 337 H ILE 56 H ILE 56 -3.366 1.940 0.229 338 HA ILE 56 HA ILE 56 -2.960 2.103 2.909 339 HB ILE 56 HB ILE 56 -1.472 2.507 0.506 340 2HG1 ILE 56 2HG1 ILE 56 -0.308 2.079 3.252 341 1HG2 ILE 56 1HG2 ILE 56 -1.545 4.918 1.411 342 2HG2 ILE 56 2HG2 ILE 56 -0.474 4.316 2.698 343 3HG2 ILE 56 3HG2 ILE 56 0.037 4.215 0.996 344 1HD1 ILE 56 1HD1 ILE 56 -2.227 0.358 1.714 345 2HD1 ILE 56 2HD1 ILE 56 -0.812 -0.444 2.437 346 3HD1 ILE 56 3HD1 ILE 56 -1.948 0.459 3.469 347 H VAL 57 H VAL 57 -4.682 4.328 0.976 348 HA VAL 57 HA VAL 57 -4.253 6.437 2.977 349 HB VAL 57 HB VAL 57 -5.611 7.273 0.564 350 1HG1 VAL 57 1HG1 VAL 57 -4.151 8.470 2.469 351 2HG1 VAL 57 2HG1 VAL 57 -2.873 8.229 1.254 352 3HG1 VAL 57 3HG1 VAL 57 -4.339 9.147 0.834 353 1HG2 VAL 57 1HG2 VAL 57 -4.242 5.355 -0.364 354 2HG2 VAL 57 2HG2 VAL 57 -3.906 6.953 -1.075 355 3HG2 VAL 57 3HG2 VAL 57 -2.788 6.258 0.125 356 H ASP 58 H ASP 58 -6.627 4.529 1.065 357 HA ASP 58 HA ASP 58 -8.786 5.780 2.468 358 2HB ASP 58 2HB ASP 58 -10.012 3.776 1.159 359 H GLU 59 H GLU 59 -6.831 2.793 2.455 360 HA GLU 59 HA GLU 59 -8.620 1.519 4.317 361 2HB GLU 59 2HB GLU 59 -6.003 0.583 3.061 362 2HG GLU 59 2HG GLU 59 -7.357 -0.423 5.352 363 H CYS 60 H CYS 60 -5.691 3.446 4.251 364 HA CYS 60 HA CYS 60 -4.713 2.537 6.765 365 2HB CYS 60 2HB CYS 60 -4.029 5.029 5.192 366 H CYS 61 H CYS 61 -6.490 5.436 5.491 367 HA CYS 61 HA CYS 61 -6.727 6.662 8.007 368 2HB CYS 61 2HB CYS 61 -8.802 7.689 6.568 369 H PHE 62 H PHE 62 -8.619 4.270 6.129 370 HA PHE 62 HA PHE 62 -10.842 4.384 7.942 371 2HB PHE 62 2HB PHE 62 -9.958 2.487 5.685 372 HD1 PHE 62 HD1 PHE 62 -13.331 3.794 6.246 373 HD2 PHE 62 HD2 PHE 62 -10.780 0.429 6.664 374 HE1 PHE 62 HE1 PHE 62 -15.328 2.334 6.672 375 HE2 PHE 62 HE2 PHE 62 -12.777 -1.031 7.091 376 HZ PHE 62 HZ PHE 62 -15.026 -0.061 7.090 377 H ARG 63 H ARG 63 -7.969 2.313 7.341 378 HA ARG 63 HA ARG 63 -8.824 0.709 9.610 379 2HB ARG 63 2HB ARG 63 -6.537 -0.122 7.817 380 2HG ARG 63 2HG ARG 63 -8.853 -1.622 9.133 381 2HD ARG 63 2HD ARG 63 -6.760 -2.400 7.173 382 HE ARG 63 HE ARG 63 -6.810 -3.695 9.819 383 1HH1 ARG 63 1HH1 ARG 63 -6.024 -4.038 6.406 384 2HH1 ARG 63 2HH1 ARG 63 -4.921 -5.349 6.660 385 1HH2 ARG 63 1HH2 ARG 63 -5.355 -5.427 10.155 386 2HH2 ARG 63 2HH2 ARG 63 -4.538 -6.145 8.807 387 H SER 64 H SER 64 -7.849 1.366 11.502 388 HA SER 64 HA SER 64 -6.267 3.018 12.301 389 2HB SER 64 2HB SER 64 -4.669 1.102 13.387 390 HG SER 64 HG SER 64 -6.018 1.294 15.059 391 H CYS 65 H CYS 65 -4.651 4.255 11.422 392 HA CYS 65 HA CYS 65 -3.025 3.236 9.349 393 2HB CYS 65 2HB CYS 65 -1.806 5.553 10.053 394 H ASP 66 H ASP 66 -1.781 1.468 10.128 395 HA ASP 66 HA ASP 66 0.028 2.164 12.307 396 2HB ASP 66 2HB ASP 66 -0.411 -0.696 11.479 397 H LEU 67 H LEU 67 2.126 2.475 11.551 398 HA LEU 67 HA LEU 67 3.084 2.409 9.129 399 2HB LEU 67 2HB LEU 67 4.194 2.142 11.753 400 HG LEU 67 HG LEU 67 5.157 0.058 10.155 401 1HD1 LEU 67 1HD1 LEU 67 6.646 2.529 9.614 402 2HD1 LEU 67 2HD1 LEU 67 7.661 1.177 10.166 403 3HD1 LEU 67 3HD1 LEU 67 6.620 0.981 8.736 404 1HD2 LEU 67 1HD2 LEU 67 5.258 0.703 12.732 405 2HD2 LEU 67 2HD2 LEU 67 6.372 -0.479 12.005 406 3HD2 LEU 67 3HD2 LEU 67 6.910 1.195 12.283 407 H ARG 68 H ARG 68 2.416 -0.529 11.061 408 HA ARG 68 HA ARG 68 3.686 -2.411 9.688 409 2HB ARG 68 2HB ARG 68 0.738 -2.778 10.359 410 2HG ARG 68 2HG ARG 68 1.884 -4.898 11.437 411 2HD ARG 68 2HD ARG 68 0.729 -4.378 8.903 412 HE ARG 68 HE ARG 68 2.550 -4.820 7.490 413 1HH1 ARG 68 1HH1 ARG 68 2.557 -7.113 10.158 414 2HH1 ARG 68 2HH1 ARG 68 3.815 -8.093 9.480 415 1HH2 ARG 68 1HH2 ARG 68 4.208 -6.112 6.595 416 2HH2 ARG 68 2HH2 ARG 68 4.759 -7.520 7.439 417 H ARG 69 H ARG 69 0.975 -0.421 8.575 418 HA ARG 69 HA ARG 69 0.222 -2.104 6.466 419 2HB ARG 69 2HB ARG 69 -0.332 0.707 5.913 420 2HG ARG 69 2HG ARG 69 -1.778 -1.244 5.285 421 2HD ARG 69 2HD ARG 69 -3.221 -1.542 7.755 422 HE ARG 69 HE ARG 69 -2.356 -3.200 5.689 423 1HH1 ARG 69 1HH1 ARG 69 -2.344 -3.397 9.202 424 2HH1 ARG 69 2HH1 ARG 69 -2.447 -5.125 9.233 425 1HH2 ARG 69 1HH2 ARG 69 -2.493 -5.481 5.729 426 2HH2 ARG 69 2HH2 ARG 69 -2.533 -6.318 7.244 427 H LEU 70 H LEU 70 2.086 1.027 6.594 428 HA LEU 70 HA LEU 70 2.728 1.346 4.008 429 2HB LEU 70 2HB LEU 70 3.361 2.674 6.125 430 HG LEU 70 HG LEU 70 5.081 0.696 6.740 431 1HD1 LEU 70 1HD1 LEU 70 6.247 1.531 4.443 432 2HD1 LEU 70 2HD1 LEU 70 7.095 2.553 5.628 433 3HD1 LEU 70 3HD1 LEU 70 7.123 0.781 5.798 434 1HD2 LEU 70 1HD2 LEU 70 4.885 3.567 7.353 435 2HD2 LEU 70 2HD2 LEU 70 5.001 2.158 8.436 436 3HD2 LEU 70 3HD2 LEU 70 6.472 2.842 7.704 437 H GLU 71 H GLU 71 4.061 -1.085 6.272 438 HA GLU 71 HA GLU 71 6.048 -1.908 4.428 439 2HB GLU 71 2HB GLU 71 5.632 -3.992 6.287 440 2HG GLU 71 2HG GLU 71 7.472 -2.280 7.489 441 H MET 72 H MET 72 2.693 -2.815 5.223 442 HA MET 72 HA MET 72 2.679 -5.297 4.007 443 2HB MET 72 2HB MET 72 0.107 -4.206 3.624 444 2HG MET 72 2HG MET 72 -0.101 -5.036 6.186 445 1HE MET 72 1HE MET 72 1.693 -7.668 5.621 446 2HE MET 72 2HE MET 72 0.252 -8.706 5.743 447 3HE MET 72 3HE MET 72 1.185 -8.654 4.228 448 H TYR 73 H TYR 73 1.750 -2.035 2.702 449 HA TYR 73 HA TYR 73 1.395 -3.141 0.065 450 2HB TYR 73 2HB TYR 73 1.505 -0.299 0.023 451 HD1 TYR 73 HD1 TYR 73 -0.418 -3.352 0.455 452 HD2 TYR 73 HD2 TYR 73 -0.704 0.853 -0.281 453 HE1 TYR 73 HE1 TYR 73 -2.796 -3.654 -0.389 454 HE2 TYR 73 HE2 TYR 73 -3.083 0.536 -1.122 455 HH TYR 73 HH TYR 73 -4.332 -2.488 -1.895 456 H CYS 74 H CYS 74 4.011 -1.873 1.978 457 HA CYS 74 HA CYS 74 5.562 -0.467 0.338 458 2HB CYS 74 2HB CYS 74 7.332 -2.358 1.427 459 H ALA 75 H ALA 75 4.181 -1.827 -1.584 460 HA ALA 75 HA ALA 75 5.287 -4.198 -2.515 461 1HB ALA 75 1HB ALA 75 3.187 -2.602 -3.187 462 2HB ALA 75 2HB ALA 75 4.311 -2.217 -4.512 463 3HB ALA 75 3HB ALA 75 3.810 -3.902 -4.231 464 HA PRO 76 HA PRO 76 9.027 -2.977 -4.306 465 2HB PRO 76 2HB PRO 76 9.659 -5.157 -4.690 466 2HG PRO 76 2HG PRO 76 7.910 -6.652 -4.848 467 2HD PRO 76 2HD PRO 76 6.301 -5.528 -3.650 468 H LEU 77 H LEU 77 7.613 -0.952 -4.826 469 HA LEU 77 HA LEU 77 6.586 -0.387 -7.201 470 2HB LEU 77 2HB LEU 77 6.658 1.269 -5.545 471 HG LEU 77 HG LEU 77 9.373 0.611 -5.141 472 1HD1 LEU 77 1HD1 LEU 77 9.390 2.663 -6.959 473 2HD1 LEU 77 2HD1 LEU 77 9.488 3.532 -5.408 474 3HD1 LEU 77 3HD1 LEU 77 10.695 2.286 -5.808 475 1HD2 LEU 77 1HD2 LEU 77 7.614 1.178 -3.461 476 2HD2 LEU 77 2HD2 LEU 77 9.175 1.990 -3.192 477 3HD2 LEU 77 3HD2 LEU 77 7.813 2.891 -3.900 478 H LYS 78 H LYS 78 7.246 0.206 -9.312 479 HA LYS 78 HA LYS 78 9.425 -1.227 -10.295 480 2HB LYS 78 2HB LYS 78 8.097 1.107 -11.683 481 2HG LYS 78 2HG LYS 78 8.323 -0.784 -13.546 482 2HD LYS 78 2HD LYS 78 10.608 0.934 -12.481 483 2HE LYS 78 2HE LYS 78 10.392 -0.372 -15.234 484 1HZ LYS 78 1HZ LYS 78 11.760 1.771 -14.471 485 2HZ LYS 78 2HZ LYS 78 12.867 0.604 -14.182 486 3HZ LYS 78 3HZ LYS 78 12.231 0.773 -15.676 487 HA PRO 79 HA PRO 79 12.486 1.674 -9.089 488 2HB PRO 79 2HB PRO 79 13.738 0.083 -7.992 489 2HG PRO 79 2HG PRO 79 13.154 -2.098 -8.465 490 2HD PRO 79 2HD PRO 79 10.972 -1.801 -9.125 491 H ALA 80 H ALA 80 14.207 2.940 -10.027 492 HA ALA 80 HA ALA 80 14.820 2.420 -12.763 493 1HB ALA 80 1HB ALA 80 12.418 3.492 -12.635 494 2HB ALA 80 2HB ALA 80 13.317 4.994 -12.311 495 3HB ALA 80 3HB ALA 80 13.597 4.098 -13.823 496 H LYS 81 H LYS 81 14.536 5.023 -10.244 497 HA LYS 81 HA LYS 81 17.259 5.193 -9.796 498 2HB LYS 81 2HB LYS 81 16.267 7.097 -11.928 499 2HG LYS 81 2HG LYS 81 18.475 7.354 -9.897 500 2HD LYS 81 2HD LYS 81 18.688 8.160 -12.833 501 2HE LYS 81 2HE LYS 81 19.998 9.256 -10.345 502 1HZ LYS 81 1HZ LYS 81 21.743 8.220 -11.693 503 2HZ LYS 81 2HZ LYS 81 21.307 9.138 -12.972 504 3HZ LYS 81 3HZ LYS 81 21.891 9.845 -11.620 505 H SER 82 H SER 82 14.769 5.109 -8.374 506 HA SER 82 HA SER 82 13.473 7.133 -7.540 507 2HB SER 82 2HB SER 82 15.125 5.502 -5.562 508 HG SER 82 HG SER 82 13.967 6.871 -4.297 509 H ALA 83 H ALA 83 16.840 6.640 -6.227 510 HA ALA 83 HA ALA 83 16.905 9.495 -5.600 511 1HB ALA 83 1HB ALA 83 17.790 7.101 -4.299 512 2HB ALA 83 2HB ALA 83 19.228 8.070 -4.702 513 3HB ALA 83 3HB ALA 83 17.919 8.782 -3.728 Start of MODEL 9 1 H MET 1 H MET 1 -4.377 22.508 -4.163 2 HA MET 1 HA MET 1 -6.318 21.651 -2.429 3 2HB MET 1 2HB MET 1 -5.750 24.010 -2.601 4 2HG MET 1 2HG MET 1 -5.640 23.487 -5.386 5 1HE MET 1 1HE MET 1 -6.377 27.011 -5.187 6 2HE MET 1 2HE MET 1 -6.158 26.339 -6.820 7 3HE MET 1 3HE MET 1 -7.689 27.136 -6.384 8 H PHE 2 H PHE 2 -6.257 21.715 -5.990 9 HA PHE 2 HA PHE 2 -7.660 20.976 -7.520 10 2HB PHE 2 2HB PHE 2 -9.438 19.236 -6.295 11 HD1 PHE 2 HD1 PHE 2 -7.699 19.370 -8.710 12 HD2 PHE 2 HD2 PHE 2 -7.199 17.275 -5.054 13 HE1 PHE 2 HE1 PHE 2 -6.285 17.660 -9.883 14 HE2 PHE 2 HE2 PHE 2 -5.784 15.565 -6.226 15 HZ PHE 2 HZ PHE 2 -5.344 15.778 -8.627 16 HA PRO 3 HA PRO 3 -11.386 23.177 -7.343 17 2HB PRO 3 2HB PRO 3 -11.681 23.070 -9.624 18 2HG PRO 3 2HG PRO 3 -10.641 21.285 -10.648 19 2HD PRO 3 2HD PRO 3 -8.977 20.851 -9.122 20 H ALA 4 H ALA 4 -12.954 20.132 -8.071 21 HA ALA 4 HA ALA 4 -15.124 20.164 -6.741 22 1HB ALA 4 1HB ALA 4 -12.990 18.087 -6.877 23 2HB ALA 4 2HB ALA 4 -14.291 17.803 -5.696 24 3HB ALA 4 3HB ALA 4 -14.685 18.025 -7.418 25 H MET 5 H MET 5 -12.632 18.709 -4.611 26 HA MET 5 HA MET 5 -13.797 20.230 -2.447 27 2HB MET 5 2HB MET 5 -11.726 18.428 -1.555 28 2HG MET 5 2HG MET 5 -14.570 17.489 -1.586 29 1HE MET 5 1HE MET 5 -12.888 15.663 -1.391 30 2HE MET 5 2HE MET 5 -12.124 15.148 0.132 31 3HE MET 5 3HE MET 5 -13.889 15.041 -0.058 32 HA PRO 6 HA PRO 6 -10.306 22.766 -1.981 33 2HB PRO 6 2HB PRO 6 -11.411 24.165 -0.525 34 2HG PRO 6 2HG PRO 6 -13.193 23.198 0.575 35 2HD PRO 6 2HD PRO 6 -13.716 21.513 -0.898 36 H LEU 7 H LEU 7 -10.344 19.697 -0.933 37 HA LEU 7 HA LEU 7 -7.681 19.930 0.260 38 2HB LEU 7 2HB LEU 7 -8.123 18.098 1.491 39 HG LEU 7 HG LEU 7 -11.016 18.657 0.789 40 1HD1 LEU 7 1HD1 LEU 7 -9.675 17.374 3.180 41 2HD1 LEU 7 2HD1 LEU 7 -11.374 17.904 3.160 42 3HD1 LEU 7 3HD1 LEU 7 -10.824 16.637 2.037 43 1HD2 LEU 7 1HD2 LEU 7 -9.312 20.590 1.631 44 2HD2 LEU 7 2HD2 LEU 7 -11.048 20.541 2.021 45 3HD2 LEU 7 3HD2 LEU 7 -9.856 19.929 3.192 46 H SER 8 H SER 8 -6.106 18.134 -0.380 47 HA SER 8 HA SER 8 -6.521 17.435 -3.174 48 2HB SER 8 2HB SER 8 -3.710 17.864 -2.676 49 HG SER 8 HG SER 8 -4.971 19.827 -4.172 50 H SER 9 H SER 9 -7.019 15.819 -0.828 51 HA SER 9 HA SER 9 -5.529 13.577 -1.525 52 2HB SER 9 2HB SER 9 -4.261 13.210 0.563 53 HG SER 9 HG SER 9 -3.603 15.875 -0.312 54 H LEU 10 H LEU 10 -5.742 12.163 1.015 55 HA LEU 10 HA LEU 10 -8.390 11.388 0.932 56 2HB LEU 10 2HB LEU 10 -6.510 11.121 3.277 57 HG LEU 10 HG LEU 10 -7.617 8.708 3.072 58 1HD1 LEU 10 1HD1 LEU 10 -7.963 11.003 4.763 59 2HD1 LEU 10 2HD1 LEU 10 -9.506 10.129 4.619 60 3HD1 LEU 10 3HD1 LEU 10 -8.047 9.273 5.172 61 1HD2 LEU 10 1HD2 LEU 10 -9.059 9.260 1.185 62 2HD2 LEU 10 2HD2 LEU 10 -10.022 8.849 2.624 63 3HD2 LEU 10 3HD2 LEU 10 -9.833 10.550 2.136 64 H PHE 11 H PHE 11 -6.940 14.222 2.309 65 HA PHE 11 HA PHE 11 -9.340 15.401 2.920 66 2HB PHE 11 2HB PHE 11 -7.891 14.556 5.469 67 HD1 PHE 11 HD1 PHE 11 -8.713 16.617 6.484 68 HD2 PHE 11 HD2 PHE 11 -11.391 13.828 4.735 69 HE1 PHE 11 HE1 PHE 11 -10.636 17.735 7.647 70 HE2 PHE 11 HE2 PHE 11 -13.314 14.946 5.898 71 HZ PHE 11 HZ PHE 11 -12.914 16.886 7.339 72 H VAL 12 H VAL 12 -6.296 15.549 2.112 73 HA VAL 12 HA VAL 12 -4.964 17.244 3.824 74 HB VAL 12 HB VAL 12 -4.899 16.591 0.928 75 1HG1 VAL 12 1HG1 VAL 12 -3.922 19.167 2.060 76 2HG1 VAL 12 2HG1 VAL 12 -2.821 18.298 0.964 77 3HG1 VAL 12 3HG1 VAL 12 -4.447 18.761 0.408 78 1HG2 VAL 12 1HG2 VAL 12 -3.713 15.292 2.725 79 2HG2 VAL 12 2HG2 VAL 12 -2.657 15.891 1.422 80 3HG2 VAL 12 3HG2 VAL 12 -2.685 16.719 2.998 81 H ASN 13 H ASN 13 -6.495 18.701 4.784 82 HA ASN 13 HA ASN 13 -7.934 20.454 3.078 83 2HB ASN 13 2HB ASN 13 -7.450 20.875 6.058 84 1HD2 ASN 13 2HD2 ASN 13 -7.809 23.058 4.996 85 2HD2 ASN 13 1HD2 ASN 13 -9.445 23.608 4.849 86 H GLY 14 H GLY 14 -4.717 20.227 4.242 87 1HA GLY 14 1HA GLY 14 -4.020 22.824 3.264 88 2HA GLY 14 2HA GLY 14 -3.947 22.741 5.013 89 HA PRO 15 HA PRO 15 -0.094 20.783 4.652 90 2HB PRO 15 2HB PRO 15 0.435 21.239 6.846 91 2HG PRO 15 2HG PRO 15 -1.383 21.590 8.222 92 2HD PRO 15 2HD PRO 15 -2.947 22.250 6.671 93 H ARG 16 H ARG 16 1.147 18.602 5.022 94 HA ARG 16 HA ARG 16 -0.632 16.696 3.765 95 2HB ARG 16 2HB ARG 16 1.833 15.530 3.570 96 2HG ARG 16 2HG ARG 16 0.760 17.813 1.844 97 2HD ARG 16 2HD ARG 16 2.143 16.791 0.037 98 HE ARG 16 HE ARG 16 3.470 18.503 0.995 99 1HH1 ARG 16 1HH1 ARG 16 3.669 15.560 2.913 100 2HH1 ARG 16 2HH1 ARG 16 5.013 16.112 3.856 101 1HH2 ARG 16 1HH2 ARG 16 5.243 19.233 2.238 102 2HH2 ARG 16 2HH2 ARG 16 5.914 18.216 3.470 103 H THR 17 H THR 17 -0.131 17.453 6.809 104 HA THR 17 HA THR 17 0.741 14.852 7.804 105 HB THR 17 HB THR 17 1.007 16.017 9.887 106 HG1 THR 17 HG1 THR 17 -0.603 18.098 8.589 107 1HG2 THR 17 1HG2 THR 17 2.092 17.210 7.552 108 2HG2 THR 17 2HG2 THR 17 1.380 18.559 8.469 109 3HG2 THR 17 3HG2 THR 17 2.605 17.516 9.229 110 H LEU 18 H LEU 18 -2.086 16.141 6.601 111 HA LEU 18 HA LEU 18 -3.947 15.435 8.559 112 2HB LEU 18 2HB LEU 18 -4.753 15.133 5.745 113 HG LEU 18 HG LEU 18 -6.529 16.552 6.263 114 1HD1 LEU 18 1HD1 LEU 18 -5.794 14.691 8.472 115 2HD1 LEU 18 2HD1 LEU 18 -7.158 15.803 8.737 116 3HD1 LEU 18 3HD1 LEU 18 -7.186 14.672 7.363 117 1HD2 LEU 18 1HD2 LEU 18 -4.859 17.572 8.570 118 2HD2 LEU 18 2HD2 LEU 18 -5.412 18.460 7.129 119 3HD2 LEU 18 3HD2 LEU 18 -6.588 17.946 8.363 120 H CYS 19 H CYS 19 -5.567 13.672 6.648 121 HA CYS 19 HA CYS 19 -4.254 11.195 7.465 122 2HB CYS 19 2HB CYS 19 -6.952 10.825 6.536 123 H GLY 20 H GLY 20 -3.679 12.984 5.039 124 1HA GLY 20 1HA GLY 20 -4.460 11.120 2.885 125 2HA GLY 20 2HA GLY 20 -4.060 12.814 2.683 126 H ALA 21 H ALA 21 -1.909 13.463 2.424 127 HA ALA 21 HA ALA 21 -0.081 11.678 1.465 128 1HB ALA 21 1HB ALA 21 0.338 14.353 2.856 129 2HB ALA 21 2HB ALA 21 1.570 13.515 1.883 130 3HB ALA 21 3HB ALA 21 0.067 14.084 1.118 131 H GLU 22 H GLU 22 -1.184 12.021 4.702 132 HA GLU 22 HA GLU 22 1.085 11.547 6.151 133 2HB GLU 22 2HB GLU 22 -1.275 10.087 7.151 134 2HG GLU 22 2HG GLU 22 -1.010 11.751 9.009 135 H LEU 23 H LEU 23 -1.394 8.956 5.573 136 HA LEU 23 HA LEU 23 0.156 6.826 6.148 137 2HB LEU 23 2HB LEU 23 -1.434 6.069 3.939 138 HG LEU 23 HG LEU 23 -3.121 5.448 5.794 139 1HD1 LEU 23 1HD1 LEU 23 -0.325 4.288 5.707 140 2HD1 LEU 23 2HD1 LEU 23 -1.720 3.513 6.495 141 3HD1 LEU 23 3HD1 LEU 23 -1.735 3.795 4.737 142 1HD2 LEU 23 1HD2 LEU 23 -1.725 7.160 7.339 143 2HD2 LEU 23 2HD2 LEU 23 -2.662 5.788 7.979 144 3HD2 LEU 23 3HD2 LEU 23 -0.903 5.636 7.752 145 H VAL 24 H VAL 24 0.456 8.997 3.416 146 HA VAL 24 HA VAL 24 1.811 7.231 1.689 147 HB VAL 24 HB VAL 24 0.953 9.957 1.772 148 1HG1 VAL 24 1HG1 VAL 24 3.875 9.549 1.288 149 2HG1 VAL 24 2HG1 VAL 24 3.002 10.687 0.234 150 3HG1 VAL 24 3HG1 VAL 24 3.013 10.936 1.997 151 1HG2 VAL 24 1HG2 VAL 24 1.124 7.787 -0.036 152 2HG2 VAL 24 2HG2 VAL 24 0.285 9.341 -0.263 153 3HG2 VAL 24 3HG2 VAL 24 1.971 9.153 -0.801 154 H ASP 25 H ASP 25 2.903 9.641 4.161 155 HA ASP 25 HA ASP 25 5.606 9.222 3.677 156 2HB ASP 25 2HB ASP 25 4.769 9.894 6.465 157 H ALA 26 H ALA 26 3.119 7.383 5.318 158 HA ALA 26 HA ALA 26 4.677 6.086 7.259 159 1HB ALA 26 1HB ALA 26 2.000 6.177 6.453 160 2HB ALA 26 2HB ALA 26 2.489 4.496 6.138 161 3HB ALA 26 3HB ALA 26 2.673 5.185 7.768 162 H LEU 27 H LEU 27 3.522 4.928 4.006 163 HA LEU 27 HA LEU 27 4.976 2.593 3.986 164 2HB LEU 27 2HB LEU 27 4.548 2.515 1.662 165 HG LEU 27 HG LEU 27 2.458 3.113 3.398 166 1HD1 LEU 27 1HD1 LEU 27 2.609 5.450 2.283 167 2HD1 LEU 27 2HD1 LEU 27 1.854 4.648 0.885 168 3HD1 LEU 27 3HD1 LEU 27 1.019 4.668 2.456 169 1HD2 LEU 27 1HD2 LEU 27 2.633 2.045 0.593 170 2HD2 LEU 27 2HD2 LEU 27 2.288 1.190 2.117 171 3HD2 LEU 27 3HD2 LEU 27 1.054 2.250 1.391 172 H GLN 28 H GLN 28 5.947 5.941 3.115 173 HA GLN 28 HA GLN 28 8.520 5.007 2.281 174 2HB GLN 28 2HB GLN 28 8.212 7.911 2.720 175 2HG GLN 28 2HG GLN 28 9.706 7.794 1.021 176 1HE2 GLN 28 2HE2 GLN 28 11.285 6.450 1.579 177 2HE2 GLN 28 1HE2 GLN 28 11.377 4.764 1.188 178 H PHE 29 H PHE 29 6.964 5.770 5.239 179 HA PHE 29 HA PHE 29 9.120 6.992 6.588 180 2HB PHE 29 2HB PHE 29 6.390 6.140 6.997 181 HD1 PHE 29 HD1 PHE 29 9.209 5.668 9.415 182 HD2 PHE 29 HD2 PHE 29 5.387 4.388 8.088 183 HE1 PHE 29 HE1 PHE 29 9.181 3.902 11.198 184 HE2 PHE 29 HE2 PHE 29 5.359 2.622 9.870 185 HZ PHE 29 HZ PHE 29 7.257 2.399 11.405 186 H VAL 30 H VAL 30 8.200 3.628 5.871 187 HA VAL 30 HA VAL 30 10.264 2.671 7.698 188 HB VAL 30 HB VAL 30 8.112 1.259 6.108 189 1HG1 VAL 30 1HG1 VAL 30 10.447 0.243 7.652 190 2HG1 VAL 30 2HG1 VAL 30 8.892 -0.583 7.911 191 3HG1 VAL 30 3HG1 VAL 30 9.577 -0.473 6.273 192 1HG2 VAL 30 1HG2 VAL 30 8.337 2.210 8.948 193 2HG2 VAL 30 2HG2 VAL 30 6.956 2.282 7.827 194 3HG2 VAL 30 3HG2 VAL 30 7.404 0.738 8.590 195 H CYS 31 H CYS 31 9.482 3.170 4.279 196 HA CYS 31 HA CYS 31 11.762 1.580 3.471 197 2HB CYS 31 2HB CYS 31 10.558 3.046 1.314 198 H GLY 32 H GLY 32 10.701 4.912 4.056 199 1HA GLY 32 1HA GLY 32 13.150 6.055 4.317 200 2HA GLY 32 2HA GLY 32 12.850 6.149 2.594 201 H ASP 33 H ASP 33 12.179 7.522 5.702 202 HA ASP 33 HA ASP 33 9.801 8.604 5.658 203 2HB ASP 33 2HB ASP 33 11.716 9.114 7.255 204 H ARG 34 H ARG 34 12.379 9.172 3.318 205 HA ARG 34 HA ARG 34 12.134 11.533 2.304 206 2HB ARG 34 2HB ARG 34 12.432 10.565 0.023 207 2HG ARG 34 2HG ARG 34 13.855 8.436 1.431 208 2HD ARG 34 2HD ARG 34 14.661 11.069 0.110 209 HE ARG 34 HE ARG 34 16.787 9.157 0.465 210 1HH1 ARG 34 1HH1 ARG 34 14.982 11.617 2.216 211 2HH1 ARG 34 2HH1 ARG 34 16.271 11.958 3.322 212 1HH2 ARG 34 1HH2 ARG 34 18.489 9.606 1.923 213 2HH2 ARG 34 2HH2 ARG 34 18.279 10.807 3.153 214 H GLY 35 H GLY 35 9.533 9.107 2.325 215 1HA GLY 35 1HA GLY 35 7.275 9.732 2.281 216 2HA GLY 35 2HA GLY 35 7.671 11.151 1.333 217 H PHE 36 H PHE 36 6.038 8.344 1.097 218 HA PHE 36 HA PHE 36 6.858 7.926 -1.693 219 2HB PHE 36 2HB PHE 36 5.924 6.131 0.589 220 HD1 PHE 36 HD1 PHE 36 6.975 5.063 -2.776 221 HD2 PHE 36 HD2 PHE 36 3.766 5.297 -0.008 222 HE1 PHE 36 HE1 PHE 36 5.627 3.502 -4.207 223 HE2 PHE 36 HE2 PHE 36 2.419 3.736 -1.440 224 HZ PHE 36 HZ PHE 36 3.365 2.858 -3.522 225 H TYR 37 H TYR 37 4.889 6.746 -2.914 226 HA TYR 37 HA TYR 37 2.657 8.581 -2.587 227 2HB TYR 37 2HB TYR 37 2.901 6.354 -4.647 228 HD1 TYR 37 HD1 TYR 37 2.538 10.050 -4.103 229 HD2 TYR 37 HD2 TYR 37 1.445 6.639 -6.443 230 HE1 TYR 37 HE1 TYR 37 0.895 11.471 -5.423 231 HE2 TYR 37 HE2 TYR 37 -0.195 8.071 -7.754 232 HH TYR 37 HH TYR 37 -1.430 10.710 -6.814 233 H PHE 38 H PHE 38 1.120 6.308 -4.159 234 HA PHE 38 HA PHE 38 0.591 4.512 -1.942 235 2HB PHE 38 2HB PHE 38 -1.945 5.092 -2.456 236 HD1 PHE 38 HD1 PHE 38 0.114 5.043 -0.184 237 HD2 PHE 38 HD2 PHE 38 -2.270 8.151 -1.816 238 HE1 PHE 38 HE1 PHE 38 0.170 6.245 2.020 239 HE2 PHE 38 HE2 PHE 38 -2.213 9.353 0.387 240 HZ PHE 38 HZ PHE 38 -0.994 8.385 2.279 241 H ASN 39 H ASN 39 -2.049 4.714 -4.083 242 HA ASN 39 HA ASN 39 -1.033 2.387 -5.469 243 2HB ASN 39 2HB ASN 39 -3.154 1.703 -4.908 244 1HD2 ASN 39 2HD2 ASN 39 -3.386 2.409 -2.818 245 2HD2 ASN 39 1HD2 ASN 39 -4.363 3.765 -2.362 246 H LYS 40 H LYS 40 -3.660 4.531 -6.637 247 HA LYS 40 HA LYS 40 -2.053 5.071 -9.024 248 2HB LYS 40 2HB LYS 40 -4.759 5.822 -9.414 249 2HG LYS 40 2HG LYS 40 -3.117 3.394 -10.277 250 2HD LYS 40 2HD LYS 40 -5.937 4.082 -10.714 251 2HE LYS 40 2HE LYS 40 -4.044 3.971 -13.093 252 1HZ LYS 40 1HZ LYS 40 -5.791 2.285 -13.292 253 2HZ LYS 40 2HZ LYS 40 -6.933 3.439 -13.123 254 3HZ LYS 40 3HZ LYS 40 -5.931 3.463 -14.412 255 HA PRO 41 HA PRO 41 -2.095 9.331 -8.288 256 2HB PRO 41 2HB PRO 41 -1.223 9.865 -10.351 257 2HG PRO 41 2HG PRO 41 -1.708 8.352 -12.023 258 2HD PRO 41 2HD PRO 41 -2.086 6.464 -10.766 259 H THR 42 H THR 42 -5.095 8.269 -9.714 260 HA THR 42 HA THR 42 -6.551 9.652 -7.688 261 HB THR 42 HB THR 42 -6.694 10.655 -10.581 262 HG1 THR 42 HG1 THR 42 -6.022 11.932 -8.030 263 1HG2 THR 42 1HG2 THR 42 -8.278 11.277 -8.049 264 2HG2 THR 42 2HG2 THR 42 -8.078 12.491 -9.335 265 3HG2 THR 42 3HG2 THR 42 -8.901 10.953 -9.684 266 H GLY 43 H GLY 43 -9.057 9.527 -8.374 267 1HA GLY 43 1HA GLY 43 -9.688 6.828 -8.433 268 2HA GLY 43 2HA GLY 43 -10.788 8.151 -8.769 269 H TYR 44 H TYR 44 -11.918 7.365 -10.545 270 HA TYR 44 HA TYR 44 -10.444 7.283 -13.021 271 2HB TYR 44 2HB TYR 44 -12.272 4.947 -12.321 272 HD1 TYR 44 HD1 TYR 44 -8.745 5.513 -13.498 273 HD2 TYR 44 HD2 TYR 44 -12.576 3.786 -14.301 274 HE1 TYR 44 HE1 TYR 44 -7.851 4.518 -15.660 275 HE2 TYR 44 HE2 TYR 44 -11.668 2.797 -16.461 276 HH TYR 44 HH TYR 44 -9.942 2.515 -17.722 277 H GLY 45 H GLY 45 -11.690 8.055 -14.688 278 1HA GLY 45 1HA GLY 45 -13.924 9.474 -14.420 279 2HA GLY 45 2HA GLY 45 -13.571 8.553 -15.868 280 H SER 46 H SER 46 -14.181 6.098 -15.738 281 HA SER 46 HA SER 46 -16.906 6.051 -14.883 282 2HB SER 46 2HB SER 46 -15.274 3.831 -16.187 283 HG SER 46 HG SER 46 -17.242 2.965 -16.739 284 H SER 47 H SER 47 -16.115 6.286 -12.515 285 HA SER 47 HA SER 47 -16.328 3.756 -11.320 286 2HB SER 47 2HB SER 47 -14.156 3.785 -10.083 287 HG SER 47 HG SER 47 -13.147 2.743 -11.684 288 H SER 48 H SER 48 -17.689 4.237 -9.639 289 HA SER 48 HA SER 48 -17.231 6.800 -8.321 290 2HB SER 48 2HB SER 48 -19.722 6.666 -7.746 291 HG SER 48 HG SER 48 -18.885 6.800 -10.512 292 H ARG 49 H ARG 49 -15.632 5.159 -7.170 293 HA ARG 49 HA ARG 49 -16.828 4.575 -4.697 294 2HB ARG 49 2HB ARG 49 -15.663 2.042 -5.222 295 2HG ARG 49 2HG ARG 49 -18.553 3.006 -5.100 296 2HD ARG 49 2HD ARG 49 -19.157 0.615 -4.715 297 HE ARG 49 HE ARG 49 -19.472 1.064 -7.030 298 1HH1 ARG 49 1HH1 ARG 49 -16.126 0.217 -6.339 299 2HH1 ARG 49 2HH1 ARG 49 -15.710 -0.026 -8.002 300 1HH2 ARG 49 1HH2 ARG 49 -18.922 0.743 -9.225 301 2HH2 ARG 49 2HH2 ARG 49 -17.312 0.275 -9.655 302 H ARG 50 H ARG 50 -15.078 3.519 -3.173 303 HA ARG 50 HA ARG 50 -12.967 5.003 -2.920 304 2HB ARG 50 2HB ARG 50 -11.763 2.969 -1.903 305 2HG ARG 50 2HG ARG 50 -13.840 2.413 -0.363 306 2HD ARG 50 2HD ARG 50 -13.189 5.367 -0.470 307 HE ARG 50 HE ARG 50 -14.159 4.898 1.622 308 1HH1 ARG 50 1HH1 ARG 50 -11.675 2.513 0.901 309 2HH1 ARG 50 2HH1 ARG 50 -11.693 1.824 2.491 310 1HH2 ARG 50 1HH2 ARG 50 -14.184 3.991 3.720 311 2HH2 ARG 50 2HH2 ARG 50 -13.131 2.671 4.105 312 H ALA 51 H ALA 51 -11.349 5.668 -4.296 313 HA ALA 51 HA ALA 51 -10.794 4.779 -6.746 314 1HB ALA 51 1HB ALA 51 -9.235 6.135 -4.597 315 2HB ALA 51 2HB ALA 51 -8.294 5.486 -5.962 316 3HB ALA 51 3HB ALA 51 -9.595 6.664 -6.258 317 H CYS 52 H CYS 52 -8.202 4.005 -4.398 318 HA CYS 52 HA CYS 52 -8.054 1.375 -5.637 319 2HB CYS 52 2HB CYS 52 -5.948 2.324 -3.744 320 HG CYS 52 HG CYS 52 -6.303 0.741 -6.620 321 H GLN 53 H GLN 53 -9.288 -0.135 -4.554 322 HA GLN 53 HA GLN 53 -10.454 0.024 -2.209 323 2HB GLN 53 2HB GLN 53 -10.045 -1.992 -4.015 324 2HG GLN 53 2HG GLN 53 -7.898 -2.531 -2.597 325 1HE2 GLN 53 2HE2 GLN 53 -7.100 -3.516 -0.802 326 2HE2 GLN 53 1HE2 GLN 53 -8.012 -3.808 0.642 327 H THR 54 H THR 54 -6.976 -0.445 -2.725 328 HA THR 54 HA THR 54 -6.514 -1.070 0.071 329 HB THR 54 HB THR 54 -4.870 -0.866 -2.478 330 HG1 THR 54 HG1 THR 54 -5.726 -2.922 -2.049 331 1HG2 THR 54 1HG2 THR 54 -3.910 -0.863 0.409 332 2HG2 THR 54 2HG2 THR 54 -2.988 -1.735 -0.840 333 3HG2 THR 54 3HG2 THR 54 -3.241 0.020 -0.984 334 H GLY 55 H GLY 55 -7.894 1.432 -0.461 335 1HA GLY 55 1HA GLY 55 -6.429 3.707 -0.577 336 2HA GLY 55 2HA GLY 55 -7.830 3.495 0.455 337 H ILE 56 H ILE 56 -4.254 3.021 0.302 338 HA ILE 56 HA ILE 56 -3.904 2.398 2.997 339 HB ILE 56 HB ILE 56 -2.339 2.643 0.723 340 2HG1 ILE 56 2HG1 ILE 56 -1.501 2.072 3.581 341 1HG2 ILE 56 1HG2 ILE 56 -1.979 5.036 1.295 342 2HG2 ILE 56 2HG2 ILE 56 -1.240 4.519 2.830 343 3HG2 ILE 56 3HG2 ILE 56 -0.484 4.068 1.283 344 1HD1 ILE 56 1HD1 ILE 56 -2.697 0.395 1.344 345 2HD1 ILE 56 2HD1 ILE 56 -1.738 -0.334 2.653 346 3HD1 ILE 56 3HD1 ILE 56 -3.244 0.535 3.031 347 H VAL 57 H VAL 57 -5.280 5.145 1.688 348 HA VAL 57 HA VAL 57 -4.278 6.801 3.900 349 HB VAL 57 HB VAL 57 -5.677 8.290 1.887 350 1HG1 VAL 57 1HG1 VAL 57 -2.780 8.255 2.797 351 2HG1 VAL 57 2HG1 VAL 57 -3.521 9.519 1.787 352 3HG1 VAL 57 3HG1 VAL 57 -4.094 9.261 3.453 353 1HG2 VAL 57 1HG2 VAL 57 -3.447 6.502 0.868 354 2HG2 VAL 57 2HG2 VAL 57 -5.125 6.592 0.281 355 3HG2 VAL 57 3HG2 VAL 57 -4.020 7.963 0.027 356 H ASP 58 H ASP 58 -7.170 5.890 1.920 357 HA ASP 58 HA ASP 58 -8.843 7.005 3.981 358 2HB ASP 58 2HB ASP 58 -9.631 5.555 1.413 359 H GLU 59 H GLU 59 -7.540 3.957 2.768 360 HA GLU 59 HA GLU 59 -9.525 2.423 4.195 361 2HB GLU 59 2HB GLU 59 -7.208 1.048 2.910 362 2HG GLU 59 2HG GLU 59 -9.997 0.517 2.050 363 H CYS 60 H CYS 60 -6.380 3.819 4.637 364 HA CYS 60 HA CYS 60 -5.663 1.883 6.673 365 2HB CYS 60 2HB CYS 60 -3.662 3.634 6.804 366 H CYS 61 H CYS 61 -6.764 5.254 6.158 367 HA CYS 61 HA CYS 61 -6.396 6.014 8.868 368 2HB CYS 61 2HB CYS 61 -8.110 7.859 7.993 369 H PHE 62 H PHE 62 -9.050 4.738 6.797 370 HA PHE 62 HA PHE 62 -11.048 5.041 8.787 371 2HB PHE 62 2HB PHE 62 -10.743 3.285 6.277 372 HD1 PHE 62 HD1 PHE 62 -11.954 1.499 7.728 373 HD2 PHE 62 HD2 PHE 62 -13.725 5.169 6.543 374 HE1 PHE 62 HE1 PHE 62 -14.234 0.523 8.114 375 HE2 PHE 62 HE2 PHE 62 -16.005 4.194 6.929 376 HZ PHE 62 HZ PHE 62 -16.233 1.882 7.710 377 H ARG 63 H ARG 63 -9.168 2.206 7.506 378 HA ARG 63 HA ARG 63 -10.023 0.799 9.905 379 2HB ARG 63 2HB ARG 63 -8.759 -0.828 7.772 380 2HG ARG 63 2HG ARG 63 -10.593 -1.185 9.877 381 2HD ARG 63 2HD ARG 63 -12.082 -0.578 7.498 382 HE ARG 63 HE ARG 63 -12.413 -2.718 6.637 383 1HH1 ARG 63 1HH1 ARG 63 -12.122 -2.954 10.136 384 2HH1 ARG 63 2HH1 ARG 63 -12.459 -4.653 10.177 385 1HH2 ARG 63 1HH2 ARG 63 -12.857 -4.960 6.691 386 2HH2 ARG 63 2HH2 ARG 63 -12.879 -5.802 8.205 387 H SER 64 H SER 64 -8.394 1.135 11.424 388 HA SER 64 HA SER 64 -6.018 1.910 11.418 389 2HB SER 64 2HB SER 64 -5.304 -0.075 12.951 390 HG SER 64 HG SER 64 -6.924 0.538 14.562 391 H CYS 65 H CYS 65 -4.216 1.796 10.131 392 HA CYS 65 HA CYS 65 -3.793 -0.730 8.708 393 2HB CYS 65 2HB CYS 65 -2.310 1.406 7.533 394 H ASP 66 H ASP 66 -2.614 -1.589 10.584 395 HA ASP 66 HA ASP 66 -0.767 -0.476 12.078 396 2HB ASP 66 2HB ASP 66 0.454 -2.697 12.052 397 H LEU 67 H LEU 67 0.866 0.963 11.467 398 HA LEU 67 HA LEU 67 1.900 1.595 9.178 399 2HB LEU 67 2HB LEU 67 2.615 2.089 11.686 400 HG LEU 67 HG LEU 67 4.032 0.082 11.972 401 1HD1 LEU 67 1HD1 LEU 67 4.987 0.852 9.348 402 2HD1 LEU 67 2HD1 LEU 67 6.333 0.672 10.500 403 3HD1 LEU 67 3HD1 LEU 67 5.198 -0.675 10.240 404 1HD2 LEU 67 1HD2 LEU 67 5.380 2.787 11.961 405 2HD2 LEU 67 2HD2 LEU 67 4.603 1.939 13.319 406 3HD2 LEU 67 3HD2 LEU 67 6.133 1.327 12.646 407 H ARG 68 H ARG 68 2.546 -1.520 10.801 408 HA ARG 68 HA ARG 68 4.653 -2.406 9.405 409 2HB ARG 68 2HB ARG 68 2.153 -3.827 10.397 410 2HG ARG 68 2HG ARG 68 3.930 -5.871 10.123 411 2HD ARG 68 2HD ARG 68 2.677 -5.988 7.658 412 HE ARG 68 HE ARG 68 0.881 -6.632 9.840 413 1HH1 ARG 68 1HH1 ARG 68 3.961 -7.533 8.397 414 2HH1 ARG 68 2HH1 ARG 68 3.911 -9.159 8.994 415 1HH2 ARG 68 1HH2 ARG 68 0.814 -8.777 10.628 416 2HH2 ARG 68 2HH2 ARG 68 2.108 -9.871 10.271 417 H ARG 69 H ARG 69 1.277 -2.023 8.312 418 HA ARG 69 HA ARG 69 1.564 -3.589 6.011 419 2HB ARG 69 2HB ARG 69 -0.395 -1.333 6.675 420 2HG ARG 69 2HG ARG 69 -0.297 -3.368 4.420 421 2HD ARG 69 2HD ARG 69 -2.789 -1.918 4.444 422 HE ARG 69 HE ARG 69 -2.767 -4.806 4.989 423 1HH1 ARG 69 1HH1 ARG 69 -2.389 -2.310 2.538 424 2HH1 ARG 69 2HH1 ARG 69 -2.751 -3.372 1.218 425 1HH2 ARG 69 1HH2 ARG 69 -3.244 -6.207 3.248 426 2HH2 ARG 69 2HH2 ARG 69 -3.240 -5.604 1.625 427 H LEU 70 H LEU 70 1.112 0.018 6.326 428 HA LEU 70 HA LEU 70 1.645 0.831 3.856 429 2HB LEU 70 2HB LEU 70 1.177 2.549 5.245 430 HG LEU 70 HG LEU 70 2.067 1.088 7.343 431 1HD1 LEU 70 1HD1 LEU 70 4.430 1.633 6.844 432 2HD1 LEU 70 2HD1 LEU 70 4.066 3.354 7.112 433 3HD1 LEU 70 3HD1 LEU 70 3.908 2.192 8.452 434 1HD2 LEU 70 1HD2 LEU 70 1.017 3.793 6.939 435 2HD2 LEU 70 2HD2 LEU 70 0.533 2.529 8.095 436 3HD2 LEU 70 3HD2 LEU 70 1.909 3.596 8.466 437 H GLU 71 H GLU 71 4.016 -0.519 6.157 438 HA GLU 71 HA GLU 71 6.242 0.195 4.596 439 2HB GLU 71 2HB GLU 71 5.813 -0.834 7.157 440 2HG GLU 71 2HG GLU 71 5.838 -3.147 6.043 441 H MET 72 H MET 72 4.124 -2.698 4.850 442 HA MET 72 HA MET 72 5.605 -4.478 3.441 443 2HB MET 72 2HB MET 72 2.901 -4.819 2.589 444 2HG MET 72 2HG MET 72 2.864 -6.300 4.779 445 1HE MET 72 1HE MET 72 4.861 -8.119 5.081 446 2HE MET 72 2HE MET 72 4.036 -9.327 4.066 447 3HE MET 72 3HE MET 72 5.717 -8.864 3.710 448 H TYR 73 H TYR 73 3.086 -2.226 2.082 449 HA TYR 73 HA TYR 73 3.490 -2.894 -0.577 450 2HB TYR 73 2HB TYR 73 2.944 -0.028 0.144 451 HD1 TYR 73 HD1 TYR 73 0.844 -3.075 -0.510 452 HD2 TYR 73 HD2 TYR 73 2.115 0.779 -1.866 453 HE1 TYR 73 HE1 TYR 73 -0.739 -3.243 -2.493 454 HE2 TYR 73 HE2 TYR 73 0.528 0.598 -3.844 455 HH TYR 73 HH TYR 73 -0.738 -0.777 -5.013 456 H CYS 74 H CYS 74 5.643 -1.332 1.605 457 HA CYS 74 HA CYS 74 7.023 0.544 0.905 458 2HB CYS 74 2HB CYS 74 8.956 -1.416 0.183 459 H ALA 75 H ALA 75 5.380 0.711 -1.215 460 HA ALA 75 HA ALA 75 6.564 -0.255 -3.627 461 1HB ALA 75 1HB ALA 75 4.147 1.202 -2.752 462 2HB ALA 75 2HB ALA 75 4.766 1.710 -4.342 463 3HB ALA 75 3HB ALA 75 4.352 0.004 -4.053 464 HA PRO 76 HA PRO 76 9.226 3.066 -4.397 465 2HB PRO 76 2HB PRO 76 10.273 1.934 -6.107 466 2HG PRO 76 2HG PRO 76 9.007 0.267 -7.077 467 2HD PRO 76 2HD PRO 76 7.564 -0.205 -5.351 468 H LEU 77 H LEU 77 9.054 5.197 -4.140 469 HA LEU 77 HA LEU 77 6.785 6.554 -4.294 470 2HB LEU 77 2HB LEU 77 9.614 7.380 -4.828 471 HG LEU 77 HG LEU 77 7.699 8.956 -5.898 472 1HD1 LEU 77 1HD1 LEU 77 7.843 9.715 -2.972 473 2HD1 LEU 77 2HD1 LEU 77 7.278 10.812 -4.255 474 3HD1 LEU 77 3HD1 LEU 77 6.402 9.297 -3.931 475 1HD2 LEU 77 1HD2 LEU 77 10.275 9.671 -4.506 476 2HD2 LEU 77 2HD2 LEU 77 9.949 9.484 -6.246 477 3HD2 LEU 77 3HD2 LEU 77 9.301 10.889 -5.365 478 H LYS 78 H LYS 78 5.221 6.495 -5.823 479 HA LYS 78 HA LYS 78 5.638 5.894 -8.482 480 2HB LYS 78 2HB LYS 78 3.333 7.643 -7.889 481 2HG LYS 78 2HG LYS 78 2.805 4.842 -8.498 482 2HD LYS 78 2HD LYS 78 1.391 6.902 -9.041 483 2HE LYS 78 2HE LYS 78 3.053 7.202 -11.539 484 1HZ LYS 78 1HZ LYS 78 0.868 8.287 -11.052 485 2HZ LYS 78 2HZ LYS 78 1.636 9.203 -9.938 486 3HZ LYS 78 3HZ LYS 78 2.070 9.295 -11.510 487 HA PRO 79 HA PRO 79 5.834 10.553 -9.249 488 2HB PRO 79 2HB PRO 79 4.528 11.897 -7.911 489 2HG PRO 79 2HG PRO 79 3.930 10.958 -5.891 490 2HD PRO 79 2HD PRO 79 4.108 8.725 -6.412 491 H ALA 80 H ALA 80 7.504 12.611 -8.458 492 HA ALA 80 HA ALA 80 9.945 11.464 -7.529 493 1HB ALA 80 1HB ALA 80 9.402 11.766 -10.459 494 2HB ALA 80 2HB ALA 80 11.008 12.255 -9.865 495 3HB ALA 80 3HB ALA 80 10.430 10.592 -9.602 496 H LYS 81 H LYS 81 8.776 13.374 -6.215 497 HA LYS 81 HA LYS 81 10.480 15.543 -6.344 498 2HB LYS 81 2HB LYS 81 7.949 16.758 -7.158 499 2HG LYS 81 2HG LYS 81 10.879 16.923 -7.979 500 2HD LYS 81 2HD LYS 81 8.418 18.114 -9.242 501 2HE LYS 81 2HE LYS 81 11.071 19.577 -9.386 502 1HZ LYS 81 1HZ LYS 81 8.317 20.023 -10.149 503 2HZ LYS 81 2HZ LYS 81 9.184 21.331 -9.696 504 3HZ LYS 81 3HZ LYS 81 9.692 20.407 -10.943 505 H SER 82 H SER 82 9.404 13.670 -4.462 506 HA SER 82 HA SER 82 7.368 14.059 -2.984 507 2HB SER 82 2HB SER 82 10.243 14.115 -1.984 508 HG SER 82 HG SER 82 9.297 14.619 -0.099 509 H ALA 83 H ALA 83 10.204 16.167 -2.117 510 HA ALA 83 HA ALA 83 8.859 17.999 -0.636 511 1HB ALA 83 1HB ALA 83 11.404 17.666 -1.293 512 2HB ALA 83 2HB ALA 83 11.033 18.916 -2.505 513 3HB ALA 83 3HB ALA 83 10.805 19.260 -0.773 Start of MODEL 10 1 H MET 1 H MET 1 -4.773 10.091 -8.063 2 HA MET 1 HA MET 1 -7.303 10.737 -9.282 3 2HB MET 1 2HB MET 1 -5.611 13.009 -9.329 4 2HG MET 1 2HG MET 1 -8.058 12.359 -8.251 5 1HE MET 1 1HE MET 1 -7.713 10.378 -7.177 6 2HE MET 1 2HE MET 1 -6.560 10.062 -5.859 7 3HE MET 1 3HE MET 1 -8.256 10.447 -5.483 8 H PHE 2 H PHE 2 -3.936 10.107 -10.141 9 HA PHE 2 HA PHE 2 -4.314 9.632 -12.747 10 2HB PHE 2 2HB PHE 2 -4.987 11.751 -13.489 11 HD1 PHE 2 HD1 PHE 2 -2.593 12.486 -10.714 12 HD2 PHE 2 HD2 PHE 2 -6.124 13.621 -12.773 13 HE1 PHE 2 HE1 PHE 2 -2.958 14.341 -9.064 14 HE2 PHE 2 HE2 PHE 2 -6.489 15.477 -11.124 15 HZ PHE 2 HZ PHE 2 -4.901 15.815 -9.289 16 HA PRO 3 HA PRO 3 -0.069 8.957 -12.172 17 2HB PRO 3 2HB PRO 3 -0.118 7.081 -13.508 18 2HG PRO 3 2HG PRO 3 -1.898 6.987 -14.971 19 2HD PRO 3 2HD PRO 3 -3.399 8.342 -13.875 20 H ALA 4 H ALA 4 -0.344 10.317 -15.424 21 HA ALA 4 HA ALA 4 1.860 11.567 -15.819 22 1HB ALA 4 1HB ALA 4 -0.838 12.067 -16.492 23 2HB ALA 4 2HB ALA 4 -0.169 13.639 -15.991 24 3HB ALA 4 3HB ALA 4 0.612 12.714 -17.296 25 H MET 5 H MET 5 -0.529 13.629 -14.047 26 HA MET 5 HA MET 5 1.741 14.662 -12.554 27 2HB MET 5 2HB MET 5 -1.093 15.769 -12.973 28 2HG MET 5 2HG MET 5 1.378 16.857 -11.573 29 1HE MET 5 1HE MET 5 -2.195 18.016 -11.750 30 2HE MET 5 2HE MET 5 -1.404 19.166 -10.646 31 3HE MET 5 3HE MET 5 -2.066 19.733 -12.197 32 HA PRO 6 HA PRO 6 -0.112 12.419 -9.222 33 2HB PRO 6 2HB PRO 6 1.771 11.152 -8.829 34 2HG PRO 6 2HG PRO 6 3.679 11.912 -9.878 35 2HD PRO 6 2HD PRO 6 2.747 13.087 -11.619 36 H LEU 7 H LEU 7 -1.618 13.373 -8.022 37 HA LEU 7 HA LEU 7 -0.618 15.563 -6.359 38 2HB LEU 7 2HB LEU 7 -3.307 15.784 -7.652 39 HG LEU 7 HG LEU 7 -3.108 18.092 -7.374 40 1HD1 LEU 7 1HD1 LEU 7 -1.980 16.633 -4.991 41 2HD1 LEU 7 2HD1 LEU 7 -2.296 18.385 -4.953 42 3HD1 LEU 7 3HD1 LEU 7 -3.629 17.247 -5.260 43 1HD2 LEU 7 1HD2 LEU 7 -0.769 18.196 -8.294 44 2HD2 LEU 7 2HD2 LEU 7 -1.116 19.328 -6.965 45 3HD2 LEU 7 3HD2 LEU 7 -0.181 17.846 -6.652 46 H SER 8 H SER 8 -0.613 13.263 -5.159 47 HA SER 8 HA SER 8 -2.787 13.465 -3.366 48 2HB SER 8 2HB SER 8 -4.162 11.986 -4.405 49 HG SER 8 HG SER 8 -1.891 11.598 -6.035 50 H SER 9 H SER 9 -0.269 13.956 -2.703 51 HA SER 9 HA SER 9 0.453 11.617 -1.181 52 2HB SER 9 2HB SER 9 2.935 12.127 -1.782 53 HG SER 9 HG SER 9 2.287 10.224 -2.653 54 H LEU 10 H LEU 10 -0.121 12.676 0.754 55 HA LEU 10 HA LEU 10 0.546 13.825 2.580 56 2HB LEU 10 2HB LEU 10 2.322 15.356 2.627 57 HG LEU 10 HG LEU 10 2.755 12.968 0.983 58 1HD1 LEU 10 1HD1 LEU 10 4.075 15.451 0.192 59 2HD1 LEU 10 2HD1 LEU 10 5.224 14.164 0.633 60 3HD1 LEU 10 3HD1 LEU 10 4.002 13.872 -0.628 61 1HD2 LEU 10 1HD2 LEU 10 3.209 13.361 3.474 62 2HD2 LEU 10 2HD2 LEU 10 4.460 12.523 2.524 63 3HD2 LEU 10 3HD2 LEU 10 4.660 14.242 2.942 64 H PHE 11 H PHE 11 -1.656 14.214 0.564 65 HA PHE 11 HA PHE 11 -2.922 16.336 1.791 66 2HB PHE 11 2HB PHE 11 -2.155 17.054 -1.066 67 HD1 PHE 11 HD1 PHE 11 -1.644 18.828 2.153 68 HD2 PHE 11 HD2 PHE 11 -3.896 18.582 -1.433 69 HE1 PHE 11 HE1 PHE 11 -2.751 21.014 2.699 70 HE2 PHE 11 HE2 PHE 11 -5.004 20.767 -0.889 71 HZ PHE 11 HZ PHE 11 -4.418 21.958 1.171 72 H VAL 12 H VAL 12 -3.342 13.589 0.824 73 HA VAL 12 HA VAL 12 -4.779 13.460 -1.530 74 HB VAL 12 HB VAL 12 -3.963 11.543 -0.273 75 1HG1 VAL 12 1HG1 VAL 12 -5.473 12.760 1.885 76 2HG1 VAL 12 2HG1 VAL 12 -5.949 11.061 1.655 77 3HG1 VAL 12 3HG1 VAL 12 -4.241 11.476 1.943 78 1HG2 VAL 12 1HG2 VAL 12 -6.484 11.777 -1.540 79 2HG2 VAL 12 2HG2 VAL 12 -5.483 10.319 -1.350 80 3HG2 VAL 12 3HG2 VAL 12 -6.718 10.716 -0.132 81 H ASN 13 H ASN 13 -7.020 12.409 0.776 82 HA ASN 13 HA ASN 13 -9.110 13.729 -0.077 83 2HB ASN 13 2HB ASN 13 -9.844 13.730 2.509 84 1HD2 ASN 13 2HD2 ASN 13 -11.471 12.393 2.477 85 2HD2 ASN 13 1HD2 ASN 13 -11.567 10.866 1.667 86 H GLY 14 H GLY 14 -6.436 15.052 1.828 87 1HA GLY 14 1HA GLY 14 -6.787 17.682 1.269 88 2HA GLY 14 2HA GLY 14 -7.812 17.442 2.670 89 HA PRO 15 HA PRO 15 -3.905 18.161 4.633 90 2HB PRO 15 2HB PRO 15 -4.565 20.147 5.594 91 2HG PRO 15 2HG PRO 15 -6.835 20.550 5.512 92 2HD PRO 15 2HD PRO 15 -7.414 19.254 3.703 93 H ARG 16 H ARG 16 -2.897 17.535 6.822 94 HA ARG 16 HA ARG 16 -3.042 14.836 6.966 95 2HB ARG 16 2HB ARG 16 -1.317 16.473 8.003 96 2HG ARG 16 2HG ARG 16 -3.249 16.247 10.360 97 2HD ARG 16 2HD ARG 16 -0.834 16.286 10.996 98 HE ARG 16 HE ARG 16 -0.448 18.985 9.868 99 1HH1 ARG 16 1HH1 ARG 16 0.125 15.535 9.486 100 2HH1 ARG 16 2HH1 ARG 16 1.459 15.746 8.400 101 1HH2 ARG 16 2HH2 ARG 16 1.310 19.266 8.436 102 2HH2 ARG 16 1HH2 ARG 16 2.137 17.883 7.800 103 H THR 17 H THR 17 -5.325 17.183 8.106 104 HA THR 17 HA THR 17 -6.391 15.562 10.237 105 HB THR 17 HB THR 17 -7.746 17.468 10.633 106 HG1 THR 17 HG1 THR 17 -7.402 17.643 7.746 107 1HG2 THR 17 1HG2 THR 17 -5.081 18.015 10.093 108 2HG2 THR 17 2HG2 THR 17 -5.907 19.097 8.945 109 3HG2 THR 17 3HG2 THR 17 -6.247 19.221 10.689 110 H LEU 18 H LEU 18 -6.515 15.444 6.839 111 HA LEU 18 HA LEU 18 -9.233 14.419 6.806 112 2HB LEU 18 2HB LEU 18 -8.314 14.115 4.280 113 HG LEU 18 HG LEU 18 -9.021 16.596 3.911 114 1HD1 LEU 18 1HD1 LEU 18 -10.504 14.148 4.349 115 2HD1 LEU 18 2HD1 LEU 18 -11.479 15.576 4.774 116 3HD1 LEU 18 3HD1 LEU 18 -10.759 15.440 3.152 117 1HD2 LEU 18 1HD2 LEU 18 -8.789 16.765 6.615 118 2HD2 LEU 18 2HD2 LEU 18 -9.796 17.839 5.614 119 3HD2 LEU 18 3HD2 LEU 18 -10.531 16.445 6.442 120 H CYS 19 H CYS 19 -6.843 13.036 4.637 121 HA CYS 19 HA CYS 19 -7.310 10.476 5.927 122 2HB CYS 19 2HB CYS 19 -5.751 10.356 3.493 123 H GLY 20 H GLY 20 -5.417 12.830 6.763 124 1HA GLY 20 1HA GLY 20 -3.384 13.041 7.693 125 2HA GLY 20 2HA GLY 20 -3.337 11.294 7.810 126 H ALA 21 H ALA 21 -1.263 13.443 7.021 127 HA ALA 21 HA ALA 21 -0.699 12.640 4.281 128 1HB ALA 21 1HB ALA 21 0.188 14.810 6.160 129 2HB ALA 21 2HB ALA 21 1.279 14.328 4.839 130 3HB ALA 21 3HB ALA 21 -0.358 14.922 4.470 131 H GLU 22 H GLU 22 -0.280 11.348 7.317 132 HA GLU 22 HA GLU 22 2.457 10.726 7.224 133 2HB GLU 22 2HB GLU 22 0.122 9.530 8.772 134 2HG GLU 22 2HG GLU 22 2.702 9.098 10.007 135 H LEU 23 H LEU 23 -0.539 8.749 6.615 136 HA LEU 23 HA LEU 23 0.353 6.379 5.975 137 2HB LEU 23 2HB LEU 23 -1.300 6.387 4.042 138 HG LEU 23 HG LEU 23 -2.250 7.436 6.723 139 1HD1 LEU 23 1HD1 LEU 23 -3.723 7.535 4.446 140 2HD1 LEU 23 2HD1 LEU 23 -4.115 5.898 5.025 141 3HD1 LEU 23 3HD1 LEU 23 -4.400 7.304 6.076 142 1HD2 LEU 23 1HD2 LEU 23 -2.002 4.631 5.608 143 2HD2 LEU 23 2HD2 LEU 23 -1.127 5.336 6.988 144 3HD2 LEU 23 3HD2 LEU 23 -2.880 5.050 7.099 145 H VAL 24 H VAL 24 0.813 9.279 3.876 146 HA VAL 24 HA VAL 24 2.236 7.772 1.909 147 HB VAL 24 HB VAL 24 1.007 9.643 1.178 148 1HG1 VAL 24 1HG1 VAL 24 2.506 11.288 3.244 149 2HG1 VAL 24 2HG1 VAL 24 1.406 11.949 2.011 150 3HG1 VAL 24 3HG1 VAL 24 0.780 10.857 3.269 151 1HG2 VAL 24 1HG2 VAL 24 3.735 9.390 0.673 152 2HG2 VAL 24 2HG2 VAL 24 2.561 10.330 -0.279 153 3HG2 VAL 24 3HG2 VAL 24 3.515 11.126 0.996 154 H ASP 25 H ASP 25 3.053 9.943 4.671 155 HA ASP 25 HA ASP 25 5.784 9.974 4.123 156 2HB ASP 25 2HB ASP 25 4.796 10.148 6.959 157 H ALA 26 H ALA 26 3.566 7.718 5.731 158 HA ALA 26 HA ALA 26 5.380 6.359 7.358 159 1HB ALA 26 1HB ALA 26 2.698 6.304 6.949 160 2HB ALA 26 2HB ALA 26 3.170 4.836 6.060 161 3HB ALA 26 3HB ALA 26 3.586 5.006 7.783 162 H LEU 27 H LEU 27 4.142 5.517 4.040 163 HA LEU 27 HA LEU 27 5.905 3.378 3.700 164 2HB LEU 27 2HB LEU 27 5.236 3.446 1.390 165 HG LEU 27 HG LEU 27 3.321 3.400 3.489 166 1HD1 LEU 27 1HD1 LEU 27 2.708 5.629 2.158 167 2HD1 LEU 27 2HD1 LEU 27 1.894 4.453 1.099 168 3HD1 LEU 27 3HD1 LEU 27 1.471 4.536 2.826 169 1HD2 LEU 27 1HD2 LEU 27 3.799 2.160 0.870 170 2HD2 LEU 27 2HD2 LEU 27 3.263 1.442 2.407 171 3HD2 LEU 27 3HD2 LEU 27 2.084 2.238 1.337 172 H GLN 28 H GLN 28 6.229 6.893 3.232 173 HA GLN 28 HA GLN 28 8.615 6.640 1.732 174 2HB GLN 28 2HB GLN 28 8.130 9.196 3.166 175 2HG GLN 28 2HG GLN 28 7.886 9.100 0.230 176 1HE2 GLN 28 2HE2 GLN 28 8.371 11.047 -0.440 177 2HE2 GLN 28 1HE2 GLN 28 9.312 12.238 0.395 178 H PHE 29 H PHE 29 7.864 6.075 4.980 179 HA PHE 29 HA PHE 29 10.372 7.101 6.009 180 2HB PHE 29 2HB PHE 29 7.707 6.371 6.940 181 HD1 PHE 29 HD1 PHE 29 10.929 5.572 8.664 182 HD2 PHE 29 HD2 PHE 29 6.922 4.422 7.871 183 HE1 PHE 29 HE1 PHE 29 11.199 3.586 10.175 184 HE2 PHE 29 HE2 PHE 29 7.192 2.436 9.382 185 HZ PHE 29 HZ PHE 29 9.328 2.042 10.516 186 H VAL 30 H VAL 30 8.628 3.922 5.733 187 HA VAL 30 HA VAL 30 11.204 2.604 6.171 188 HB VAL 30 HB VAL 30 8.480 2.117 6.967 189 1HG1 VAL 30 1HG1 VAL 30 8.511 0.654 4.920 190 2HG1 VAL 30 2HG1 VAL 30 9.829 -0.274 5.675 191 3HG1 VAL 30 3HG1 VAL 30 8.227 -0.212 6.449 192 1HG2 VAL 30 1HG2 VAL 30 10.771 2.058 8.231 193 2HG2 VAL 30 2HG2 VAL 30 9.474 0.932 8.699 194 3HG2 VAL 30 3HG2 VAL 30 10.821 0.365 7.682 195 H CYS 31 H CYS 31 8.477 3.012 3.883 196 HA CYS 31 HA CYS 31 9.303 1.027 2.094 197 2HB CYS 31 2HB CYS 31 7.961 3.290 0.843 198 H GLY 32 H GLY 32 10.361 4.321 2.819 199 1HA GLY 32 1HA GLY 32 12.651 4.797 2.121 200 2HA GLY 32 2HA GLY 32 12.234 4.190 0.531 201 H ASP 33 H ASP 33 12.833 6.990 2.126 202 HA ASP 33 HA ASP 33 10.973 8.771 1.963 203 2HB ASP 33 2HB ASP 33 13.279 9.620 0.286 204 H ARG 34 H ARG 34 12.132 6.838 -0.741 205 HA ARG 34 HA ARG 34 11.547 8.414 -2.871 206 2HB ARG 34 2HB ARG 34 12.638 6.167 -2.995 207 2HG ARG 34 2HG ARG 34 9.803 5.197 -2.412 208 2HD ARG 34 2HD ARG 34 11.069 4.006 -4.364 209 HE ARG 34 HE ARG 34 12.979 3.609 -2.187 210 1HH1 ARG 34 1HH1 ARG 34 11.686 2.220 -5.149 211 2HH1 ARG 34 2HH1 ARG 34 13.096 1.265 -5.468 212 1HH2 ARG 34 1HH2 ARG 34 14.840 2.350 -2.607 213 2HH2 ARG 34 2HH2 ARG 34 14.902 1.340 -4.012 214 H GLY 35 H GLY 35 9.401 7.062 -0.493 215 1HA GLY 35 1HA GLY 35 7.176 7.311 -0.212 216 2HA GLY 35 2HA GLY 35 7.116 8.302 -1.656 217 H PHE 36 H PHE 36 5.418 5.946 -0.585 218 HA PHE 36 HA PHE 36 5.799 4.081 -2.799 219 2HB PHE 36 2HB PHE 36 4.246 4.136 -0.152 220 HD1 PHE 36 HD1 PHE 36 5.261 1.398 -2.465 221 HD2 PHE 36 HD2 PHE 36 2.084 3.318 -0.407 222 HE1 PHE 36 HE1 PHE 36 3.690 -0.422 -3.189 223 HE2 PHE 36 HE2 PHE 36 0.515 1.497 -1.130 224 HZ PHE 36 HZ PHE 36 1.337 -0.350 -2.513 225 H TYR 37 H TYR 37 4.039 3.498 -4.201 226 HA TYR 37 HA TYR 37 2.341 5.699 -4.816 227 2HB TYR 37 2HB TYR 37 2.242 2.762 -5.727 228 HD1 TYR 37 HD1 TYR 37 0.654 5.838 -5.876 229 HD2 TYR 37 HD2 TYR 37 2.211 2.808 -8.464 230 HE1 TYR 37 HE1 TYR 37 -0.898 6.617 -7.734 231 HE2 TYR 37 HE2 TYR 37 0.654 3.596 -10.312 232 HH TYR 37 HH TYR 37 -1.961 5.410 -9.813 233 H PHE 38 H PHE 38 1.124 5.934 -2.787 234 HA PHE 38 HA PHE 38 -0.245 4.351 -1.300 235 2HB PHE 38 2HB PHE 38 -2.308 6.063 -2.189 236 HD1 PHE 38 HD1 PHE 38 0.139 5.125 0.048 237 HD2 PHE 38 HD2 PHE 38 -2.140 8.531 -1.054 238 HE1 PHE 38 HE1 PHE 38 0.496 6.102 2.331 239 HE2 PHE 38 HE2 PHE 38 -1.783 9.508 1.230 240 HZ PHE 38 HZ PHE 38 -0.469 8.282 2.895 241 H ASN 39 H ASN 39 -2.202 5.465 -4.125 242 HA ASN 39 HA ASN 39 -3.384 2.821 -4.137 243 2HB ASN 39 2HB ASN 39 -5.267 4.127 -4.263 244 1HD2 ASN 39 2HD2 ASN 39 -5.524 5.840 -3.056 245 2HD2 ASN 39 1HD2 ASN 39 -4.873 7.422 -3.324 246 H LYS 40 H LYS 40 -4.288 2.444 -6.675 247 HA LYS 40 HA LYS 40 -1.836 2.522 -8.267 248 2HB LYS 40 2HB LYS 40 -3.852 0.883 -9.449 249 2HG LYS 40 2HG LYS 40 -1.673 -0.352 -7.826 250 2HD LYS 40 2HD LYS 40 -3.064 -0.728 -10.384 251 2HE LYS 40 2HE LYS 40 -0.015 -0.871 -10.325 252 1HZ LYS 40 1HZ LYS 40 -1.991 -2.117 -12.083 253 2HZ LYS 40 2HZ LYS 40 -0.488 -1.768 -12.619 254 3HZ LYS 40 3HZ LYS 40 -0.691 -2.802 -11.370 255 HA PRO 41 HA PRO 41 -3.636 5.045 -11.283 256 2HB PRO 41 2HB PRO 41 -1.923 4.755 -12.794 257 2HG PRO 41 2HG PRO 41 -0.806 2.746 -12.609 258 2HD PRO 41 2HD PRO 41 -1.248 2.233 -10.412 259 H THR 42 H THR 42 -5.784 4.803 -10.391 260 HA THR 42 HA THR 42 -7.612 2.966 -11.050 261 HB THR 42 HB THR 42 -8.313 4.720 -9.623 262 HG1 THR 42 HG1 THR 42 -10.171 5.325 -10.770 263 1HG2 THR 42 1HG2 THR 42 -6.960 6.460 -11.665 264 2HG2 THR 42 2HG2 THR 42 -8.421 7.134 -10.903 265 3HG2 THR 42 3HG2 THR 42 -7.037 6.646 -9.896 266 H GLY 43 H GLY 43 -8.381 5.872 -12.867 267 1HA GLY 43 1HA GLY 43 -9.501 4.787 -15.017 268 2HA GLY 43 2HA GLY 43 -8.529 6.242 -15.109 269 H TYR 44 H TYR 44 -8.616 2.732 -15.650 270 HA TYR 44 HA TYR 44 -6.425 3.012 -17.516 271 2HB TYR 44 2HB TYR 44 -6.386 0.798 -15.410 272 HD1 TYR 44 HD1 TYR 44 -3.985 3.397 -16.667 273 HD2 TYR 44 HD2 TYR 44 -4.911 -0.763 -16.302 274 HE1 TYR 44 HE1 TYR 44 -1.738 2.801 -17.695 275 HE2 TYR 44 HE2 TYR 44 -2.661 -1.346 -17.332 276 HH TYR 44 HH TYR 44 -0.748 0.958 -18.906 277 H GLY 45 H GLY 45 -5.954 0.432 -18.218 278 1HA GLY 45 1HA GLY 45 -8.009 -0.299 -19.840 279 2HA GLY 45 2HA GLY 45 -6.803 -1.405 -19.215 280 H SER 46 H SER 46 -7.494 -1.200 -16.382 281 HA SER 46 HA SER 46 -9.918 -2.777 -16.512 282 2HB SER 46 2HB SER 46 -8.034 -2.439 -14.143 283 HG SER 46 HG SER 46 -10.297 -3.980 -14.694 284 H SER 47 H SER 47 -11.222 -0.736 -16.817 285 HA SER 47 HA SER 47 -11.220 1.173 -14.749 286 2HB SER 47 2HB SER 47 -13.384 0.634 -16.828 287 HG SER 47 HG SER 47 -13.711 2.949 -16.595 288 H SER 48 H SER 48 -11.388 -0.544 -12.963 289 HA SER 48 HA SER 48 -14.158 -0.733 -12.242 290 2HB SER 48 2HB SER 48 -13.038 -3.295 -11.588 291 HG SER 48 HG SER 48 -15.128 -3.548 -12.000 292 H ARG 49 H ARG 49 -14.348 -1.534 -9.875 293 HA ARG 49 HA ARG 49 -12.665 -0.035 -8.320 294 2HB ARG 49 2HB ARG 49 -13.726 -2.157 -6.698 295 2HG ARG 49 2HG ARG 49 -13.804 0.651 -6.828 296 2HD ARG 49 2HD ARG 49 -16.545 0.495 -6.269 297 HE ARG 49 HE ARG 49 -14.933 2.016 -7.943 298 1HH1 ARG 49 1HH1 ARG 49 -18.089 0.498 -8.282 299 2HH1 ARG 49 2HH1 ARG 49 -18.675 1.673 -9.410 300 1HH2 ARG 49 1HH2 ARG 49 -15.706 3.568 -9.433 301 2HH2 ARG 49 2HH2 ARG 49 -17.310 3.431 -10.070 302 H ARG 50 H ARG 50 -10.467 -0.673 -9.030 303 HA ARG 50 HA ARG 50 -9.383 -2.597 -7.307 304 2HB ARG 50 2HB ARG 50 -10.191 -4.194 -9.004 305 2HG ARG 50 2HG ARG 50 -8.395 -3.001 -11.105 306 2HD ARG 50 2HD ARG 50 -10.612 -3.814 -12.399 307 HE ARG 50 HE ARG 50 -8.151 -5.157 -11.686 308 1HH1 ARG 50 1HH1 ARG 50 -11.312 -5.725 -13.125 309 2HH1 ARG 50 2HH1 ARG 50 -10.782 -7.080 -14.065 310 1HH2 ARG 50 1HH2 ARG 50 -7.452 -6.944 -12.925 311 2HH2 ARG 50 2HH2 ARG 50 -8.572 -7.778 -13.951 312 H ALA 51 H ALA 51 -8.477 -0.286 -7.003 313 HA ALA 51 HA ALA 51 -5.970 -0.137 -8.430 314 1HB ALA 51 1HB ALA 51 -7.962 1.223 -9.601 315 2HB ALA 51 2HB ALA 51 -7.536 2.416 -8.351 316 3HB ALA 51 3HB ALA 51 -6.305 1.867 -9.515 317 H CYS 52 H CYS 52 -7.182 -0.675 -5.672 318 HA CYS 52 HA CYS 52 -5.222 0.586 -4.192 319 2HB CYS 52 2HB CYS 52 -6.525 2.660 -4.616 320 HG CYS 52 HG CYS 52 -8.873 1.305 -4.885 321 H GLN 53 H GLN 53 -5.925 -2.012 -4.376 322 HA GLN 53 HA GLN 53 -7.996 -3.002 -2.981 323 2HB GLN 53 2HB GLN 53 -6.825 -4.731 -3.908 324 2HG GLN 53 2HG GLN 53 -4.119 -4.611 -3.493 325 1HE2 GLN 53 2HE2 GLN 53 -3.560 -2.384 -5.376 326 2HE2 GLN 53 1HE2 GLN 53 -4.126 -2.900 -6.930 327 H THR 54 H THR 54 -4.675 -2.449 -1.583 328 HA THR 54 HA THR 54 -5.901 -2.444 1.077 329 HB THR 54 HB THR 54 -3.928 -3.953 0.482 330 HG1 THR 54 HG1 THR 54 -3.655 -1.726 2.376 331 1HG2 THR 54 1HG2 THR 54 -2.830 -1.784 -0.781 332 2HG2 THR 54 2HG2 THR 54 -2.123 -1.582 0.839 333 3HG2 THR 54 3HG2 THR 54 -1.844 -3.085 -0.072 334 H GLY 55 H GLY 55 -6.237 -0.220 -0.908 335 1HA GLY 55 1HA GLY 55 -5.016 1.988 -0.957 336 2HA GLY 55 2HA GLY 55 -6.598 2.002 -0.202 337 H ILE 56 H ILE 56 -3.098 2.150 0.324 338 HA ILE 56 HA ILE 56 -3.102 1.978 3.112 339 HB ILE 56 HB ILE 56 -1.256 2.375 1.022 340 2HG1 ILE 56 2HG1 ILE 56 -0.650 2.126 3.977 341 1HG2 ILE 56 1HG2 ILE 56 -1.558 4.839 1.750 342 2HG2 ILE 56 2HG2 ILE 56 -0.643 4.358 3.199 343 3HG2 ILE 56 3HG2 ILE 56 0.089 4.183 1.586 344 1HD1 ILE 56 1HD1 ILE 56 -1.719 0.121 1.963 345 2HD1 ILE 56 2HD1 ILE 56 -0.692 -0.399 3.321 346 3HD1 ILE 56 3HD1 ILE 56 -2.248 0.404 3.638 347 H VAL 57 H VAL 57 -4.604 4.232 1.077 348 HA VAL 57 HA VAL 57 -4.414 6.316 3.137 349 HB VAL 57 HB VAL 57 -5.645 7.210 0.714 350 1HG1 VAL 57 1HG1 VAL 57 -3.096 7.855 2.210 351 2HG1 VAL 57 2HG1 VAL 57 -3.571 8.712 0.724 352 3HG1 VAL 57 3HG1 VAL 57 -4.620 8.773 2.161 353 1HG2 VAL 57 1HG2 VAL 57 -2.994 5.779 0.347 354 2HG2 VAL 57 2HG2 VAL 57 -4.534 5.441 -0.481 355 3HG2 VAL 57 3HG2 VAL 57 -3.665 6.961 -0.803 356 H ASP 58 H ASP 58 -6.603 4.385 1.028 357 HA ASP 58 HA ASP 58 -8.854 5.484 2.458 358 2HB ASP 58 2HB ASP 58 -9.725 3.433 0.700 359 H GLU 59 H GLU 59 -6.938 2.492 1.959 360 HA GLU 59 HA GLU 59 -8.767 0.914 3.483 361 2HB GLU 59 2HB GLU 59 -5.973 0.013 2.778 362 2HG GLU 59 2HG GLU 59 -7.917 -1.849 1.968 363 H CYS 60 H CYS 60 -5.945 2.925 4.027 364 HA CYS 60 HA CYS 60 -5.386 1.663 6.569 365 2HB CYS 60 2HB CYS 60 -4.036 4.187 5.780 366 H CYS 61 H CYS 61 -6.714 4.684 5.116 367 HA CYS 61 HA CYS 61 -6.965 6.157 7.432 368 2HB CYS 61 2HB CYS 61 -9.077 7.045 6.036 369 H PHE 62 H PHE 62 -8.998 3.581 5.964 370 HA PHE 62 HA PHE 62 -11.111 3.927 7.851 371 2HB PHE 62 2HB PHE 62 -10.285 1.685 5.910 372 HD1 PHE 62 HD1 PHE 62 -13.355 3.226 7.398 373 HD2 PHE 62 HD2 PHE 62 -11.364 -0.319 6.185 374 HE1 PHE 62 HE1 PHE 62 -15.337 1.867 8.120 375 HE2 PHE 62 HE2 PHE 62 -13.346 -1.679 6.907 376 HZ PHE 62 HZ PHE 62 -15.309 -0.570 7.866 377 H ARG 63 H ARG 63 -8.286 1.728 7.440 378 HA ARG 63 HA ARG 63 -9.016 0.542 9.990 379 2HB ARG 63 2HB ARG 63 -6.760 -0.742 8.616 380 2HG ARG 63 2HG ARG 63 -9.054 -1.447 10.172 381 2HD ARG 63 2HD ARG 63 -8.928 -2.905 7.487 382 HE ARG 63 HE ARG 63 -10.172 -3.613 10.063 383 1HH1 ARG 63 1HH1 ARG 63 -10.167 -4.107 6.579 384 2HH1 ARG 63 2HH1 ARG 63 -10.981 -5.633 6.666 385 1HH2 ARG 63 1HH2 ARG 63 -11.244 -5.628 10.179 386 2HH2 ARG 63 2HH2 ARG 63 -11.597 -6.505 8.728 387 H SER 64 H SER 64 -8.120 2.094 11.437 388 HA SER 64 HA SER 64 -5.967 3.580 11.239 389 2HB SER 64 2HB SER 64 -7.332 3.611 13.239 390 HG SER 64 HG SER 64 -7.905 1.587 13.822 391 H CYS 65 H CYS 65 -4.154 2.850 10.083 392 HA CYS 65 HA CYS 65 -2.635 0.753 11.436 393 2HB CYS 65 2HB CYS 65 -3.473 -0.457 9.634 394 H ASP 66 H ASP 66 -1.171 2.224 12.380 395 HA ASP 66 HA ASP 66 -0.318 4.560 11.432 396 2HB ASP 66 2HB ASP 66 1.941 3.928 12.599 397 H LEU 67 H LEU 67 2.470 2.436 11.520 398 HA LEU 67 HA LEU 67 2.939 2.978 8.691 399 2HB LEU 67 2HB LEU 67 4.594 3.716 10.353 400 HG LEU 67 HG LEU 67 4.437 1.783 11.946 401 1HD1 LEU 67 1HD1 LEU 67 5.242 0.323 9.555 402 2HD1 LEU 67 2HD1 LEU 67 6.292 -0.020 10.951 403 3HD1 LEU 67 3HD1 LEU 67 4.533 -0.266 11.078 404 1HD2 LEU 67 1HD2 LEU 67 6.574 3.402 11.313 405 2HD2 LEU 67 2HD2 LEU 67 6.435 2.366 12.753 406 3HD2 LEU 67 3HD2 LEU 67 7.294 1.775 11.312 407 H ARG 68 H ARG 68 2.281 0.405 11.028 408 HA ARG 68 HA ARG 68 3.244 -1.789 10.017 409 2HB ARG 68 2HB ARG 68 0.306 -2.081 10.308 410 2HG ARG 68 2HG ARG 68 1.225 -3.353 12.418 411 2HD ARG 68 2HD ARG 68 1.756 -4.086 9.516 412 HE ARG 68 HE ARG 68 3.277 -5.621 10.452 413 1HH1 ARG 68 1HH1 ARG 68 0.361 -5.479 12.416 414 2HH1 ARG 68 2HH1 ARG 68 0.791 -6.852 13.381 415 1HH2 ARG 68 1HH2 ARG 68 3.845 -7.432 11.725 416 2HH2 ARG 68 2HH2 ARG 68 2.786 -7.970 12.985 417 H ARG 69 H ARG 69 0.610 0.150 8.520 418 HA ARG 69 HA ARG 69 0.056 -1.746 6.531 419 2HB ARG 69 2HB ARG 69 -0.516 1.085 5.848 420 2HG ARG 69 2HG ARG 69 -1.682 -0.970 4.909 421 2HD ARG 69 2HD ARG 69 -2.254 -1.319 7.807 422 HE ARG 69 HE ARG 69 -4.498 -0.688 6.313 423 1HH1 ARG 69 1HH1 ARG 69 -3.325 -3.647 7.814 424 2HH1 ARG 69 2HH1 ARG 69 -4.911 -4.292 8.079 425 1HH2 ARG 69 1HH2 ARG 69 -6.590 -1.538 6.664 426 2HH2 ARG 69 2HH2 ARG 69 -6.780 -3.084 7.421 427 H LEU 70 H LEU 70 2.059 1.262 6.715 428 HA LEU 70 HA LEU 70 2.761 1.622 4.138 429 2HB LEU 70 2HB LEU 70 3.683 2.416 6.673 430 HG LEU 70 HG LEU 70 6.112 2.838 6.035 431 1HD1 LEU 70 1HD1 LEU 70 5.123 1.196 7.805 432 2HD1 LEU 70 2HD1 LEU 70 5.689 -0.064 6.682 433 3HD1 LEU 70 3HD1 LEU 70 6.847 1.102 7.369 434 1HD2 LEU 70 1HD2 LEU 70 5.456 1.554 3.702 435 2HD2 LEU 70 2HD2 LEU 70 7.108 1.828 4.305 436 3HD2 LEU 70 3HD2 LEU 70 6.295 0.276 4.614 437 H GLU 71 H GLU 71 3.964 -0.908 6.389 438 HA GLU 71 HA GLU 71 5.773 -1.869 4.393 439 2HB GLU 71 2HB GLU 71 6.360 -1.947 6.803 440 2HG GLU 71 2HG GLU 71 3.855 -3.642 6.895 441 H MET 72 H MET 72 2.470 -2.430 5.474 442 HA MET 72 HA MET 72 2.208 -5.057 4.614 443 2HB MET 72 2HB MET 72 -0.310 -4.239 4.418 444 2HG MET 72 2HG MET 72 -0.139 -3.661 7.071 445 1HE MET 72 1HE MET 72 2.009 -6.562 6.771 446 2HE MET 72 2HE MET 72 0.989 -7.981 6.433 447 3HE MET 72 3HE MET 72 1.464 -6.892 5.109 448 H TYR 73 H TYR 73 1.551 -1.902 2.956 449 HA TYR 73 HA TYR 73 0.989 -3.337 0.489 450 2HB TYR 73 2HB TYR 73 1.195 -0.319 0.951 451 HD1 TYR 73 HD1 TYR 73 0.778 -2.787 -1.360 452 HD2 TYR 73 HD2 TYR 73 -1.321 0.631 0.132 453 HE1 TYR 73 HE1 TYR 73 -0.490 -2.598 -3.555 454 HE2 TYR 73 HE2 TYR 73 -2.581 0.808 -2.068 455 HH TYR 73 HH TYR 73 -2.153 0.129 -4.446 456 H CYS 74 H CYS 74 3.549 -1.501 2.098 457 HA CYS 74 HA CYS 74 5.083 -0.301 0.499 458 2HB CYS 74 2HB CYS 74 6.767 -2.491 1.290 459 H ALA 75 H ALA 75 3.445 -1.518 -1.377 460 HA ALA 75 HA ALA 75 4.629 -3.736 -2.653 461 1HB ALA 75 1HB ALA 75 2.327 -2.012 -2.933 462 2HB ALA 75 2HB ALA 75 3.117 -2.212 -4.515 463 3HB ALA 75 3HB ALA 75 2.592 -3.643 -3.594 464 HA PRO 76 HA PRO 76 7.732 -1.809 -4.968 465 2HB PRO 76 2HB PRO 76 8.633 -3.832 -5.601 466 2HG PRO 76 2HG PRO 76 7.156 -5.603 -5.544 467 2HD PRO 76 2HD PRO 76 5.637 -4.819 -4.008 468 H LEU 77 H LEU 77 8.364 -1.192 -7.423 469 HA LEU 77 HA LEU 77 6.133 -0.443 -8.980 470 2HB LEU 77 2HB LEU 77 7.272 2.092 -8.265 471 HG LEU 77 HG LEU 77 4.893 1.420 -9.201 472 1HD1 LEU 77 1HD1 LEU 77 4.642 1.028 -6.251 473 2HD1 LEU 77 2HD1 LEU 77 3.295 1.801 -7.121 474 3HD1 LEU 77 3HD1 LEU 77 3.847 0.177 -7.597 475 1HD2 LEU 77 1HD2 LEU 77 5.781 3.705 -8.935 476 2HD2 LEU 77 2HD2 LEU 77 4.049 3.593 -8.537 477 3HD2 LEU 77 3HD2 LEU 77 5.257 3.697 -7.234 478 H LYS 78 H LYS 78 7.251 1.708 -10.401 479 HA LYS 78 HA LYS 78 9.444 0.311 -11.667 480 2HB LYS 78 2HB LYS 78 8.655 2.881 -12.817 481 2HG LYS 78 2HG LYS 78 7.933 0.496 -14.317 482 2HD LYS 78 2HD LYS 78 9.924 2.763 -14.520 483 2HE LYS 78 2HE LYS 78 11.050 0.593 -15.297 484 1HZ LYS 78 1HZ LYS 78 8.710 0.659 -17.025 485 2HZ LYS 78 2HZ LYS 78 10.112 0.058 -17.607 486 3HZ LYS 78 3HZ LYS 78 9.416 -0.620 -16.295 487 HA PRO 79 HA PRO 79 12.527 2.844 -10.027 488 2HB PRO 79 2HB PRO 79 14.193 1.457 -10.804 489 2HG PRO 79 2HG PRO 79 13.593 0.148 -12.605 490 2HD PRO 79 2HD PRO 79 11.312 0.081 -12.320 491 H ALA 80 H ALA 80 12.347 3.596 -13.482 492 HA ALA 80 HA ALA 80 11.520 6.260 -12.884 493 1HB ALA 80 1HB ALA 80 14.322 5.715 -12.898 494 2HB ALA 80 2HB ALA 80 13.946 6.603 -14.393 495 3HB ALA 80 3HB ALA 80 13.509 7.296 -12.812 496 H LYS 81 H LYS 81 10.941 7.425 -14.858 497 HA LYS 81 HA LYS 81 11.405 6.474 -17.409 498 2HB LYS 81 2HB LYS 81 8.615 5.703 -17.020 499 2HG LYS 81 2HG LYS 81 10.903 3.965 -17.990 500 2HD LYS 81 2HD LYS 81 8.000 4.378 -18.846 501 2HE LYS 81 2HE LYS 81 9.979 3.672 -20.570 502 1HZ LYS 81 1HZ LYS 81 10.096 1.646 -18.858 503 2HZ LYS 81 2HZ LYS 81 9.039 1.044 -19.947 504 3HZ LYS 81 3HZ LYS 81 10.521 1.534 -20.431 505 H SER 82 H SER 82 11.325 8.927 -15.930 506 HA SER 82 HA SER 82 9.328 10.498 -15.776 507 2HB SER 82 2HB SER 82 11.937 10.928 -17.212 508 HG SER 82 HG SER 82 10.279 13.193 -16.725 509 H ALA 83 H ALA 83 10.729 9.822 -19.074 510 HA ALA 83 HA ALA 83 8.384 10.920 -20.328 511 1HB ALA 83 1HB ALA 83 10.981 10.842 -21.033 512 2HB ALA 83 2HB ALA 83 10.432 9.358 -21.848 513 3HB ALA 83 3HB ALA 83 9.668 10.919 -22.233 Start of MODEL 11 1 H MET 1 H MET 1 -2.133 13.999 -6.031 2 HA MET 1 HA MET 1 -0.517 11.726 -6.123 3 2HB MET 1 2HB MET 1 -3.382 11.593 -7.056 4 2HG MET 1 2HG MET 1 -2.975 10.168 -4.639 5 1HE MET 1 1HE MET 1 -4.098 8.362 -4.552 6 2HE MET 1 2HE MET 1 -5.429 8.868 -5.620 7 3HE MET 1 3HE MET 1 -4.676 7.270 -5.833 8 H PHE 2 H PHE 2 0.841 12.361 -8.054 9 HA PHE 2 HA PHE 2 1.462 11.878 -10.122 10 2HB PHE 2 2HB PHE 2 -1.177 10.812 -11.042 11 HD1 PHE 2 HD1 PHE 2 1.965 9.336 -9.651 12 HD2 PHE 2 HD2 PHE 2 -0.559 9.824 -13.027 13 HE1 PHE 2 HE1 PHE 2 3.457 7.822 -10.985 14 HE2 PHE 2 HE2 PHE 2 0.933 8.310 -14.361 15 HZ PHE 2 HZ PHE 2 2.923 7.327 -13.324 16 HA PRO 3 HA PRO 3 -0.183 15.132 -12.457 17 2HB PRO 3 2HB PRO 3 1.793 15.417 -13.605 18 2HG PRO 3 2HG PRO 3 3.151 13.552 -13.662 19 2HD PRO 3 2HD PRO 3 2.411 12.451 -11.784 20 H ALA 4 H ALA 4 -0.341 12.162 -14.372 21 HA ALA 4 HA ALA 4 -2.121 12.478 -16.163 22 1HB ALA 4 1HB ALA 4 -1.359 10.319 -14.797 23 2HB ALA 4 2HB ALA 4 -2.994 10.468 -14.109 24 3HB ALA 4 3HB ALA 4 -2.782 10.282 -15.867 25 H MET 5 H MET 5 -3.290 12.225 -12.724 26 HA MET 5 HA MET 5 -5.685 13.611 -13.602 27 2HB MET 5 2HB MET 5 -5.691 12.773 -10.800 28 2HG MET 5 2HG MET 5 -7.463 12.813 -12.970 29 1HE MET 5 1HE MET 5 -9.345 10.676 -11.902 30 2HE MET 5 2HE MET 5 -9.233 9.164 -12.835 31 3HE MET 5 3HE MET 5 -8.429 9.294 -11.252 32 HA PRO 6 HA PRO 6 -3.871 17.108 -11.606 33 2HB PRO 6 2HB PRO 6 -4.028 18.433 -13.484 34 2HG PRO 6 2HG PRO 6 -5.388 17.590 -15.146 35 2HD PRO 6 2HD PRO 6 -5.307 15.348 -14.642 36 H LEU 7 H LEU 7 -4.834 15.811 -9.718 37 HA LEU 7 HA LEU 7 -6.698 17.675 -8.490 38 2HB LEU 7 2HB LEU 7 -7.495 15.002 -7.821 39 HG LEU 7 HG LEU 7 -9.692 15.664 -8.487 40 1HD1 LEU 7 1HD1 LEU 7 -8.211 17.981 -7.217 41 2HD1 LEU 7 2HD1 LEU 7 -9.981 17.792 -7.245 42 3HD1 LEU 7 3HD1 LEU 7 -8.972 16.602 -6.388 43 1HD2 LEU 7 1HD2 LEU 7 -8.425 17.062 -10.534 44 2HD2 LEU 7 2HD2 LEU 7 -10.171 17.014 -10.189 45 3HD2 LEU 7 3HD2 LEU 7 -9.168 18.327 -9.526 46 H SER 8 H SER 8 -7.053 16.676 -6.051 47 HA SER 8 HA SER 8 -4.737 15.369 -5.084 48 2HB SER 8 2HB SER 8 -3.630 17.100 -3.972 49 HG SER 8 HG SER 8 -4.837 18.508 -6.200 50 H SER 9 H SER 9 -7.200 14.403 -4.849 51 HA SER 9 HA SER 9 -8.102 15.286 -2.218 52 2HB SER 9 2HB SER 9 -10.217 13.833 -3.224 53 HG SER 9 HG SER 9 -10.388 16.411 -4.161 54 H LEU 10 H LEU 10 -7.693 13.831 -0.595 55 HA LEU 10 HA LEU 10 -7.700 11.839 0.444 56 2HB LEU 10 2HB LEU 10 -7.663 10.152 -1.983 57 HG LEU 10 HG LEU 10 -9.057 10.122 0.673 58 1HD1 LEU 10 1HD1 LEU 10 -10.804 9.888 -1.128 59 2HD1 LEU 10 2HD1 LEU 10 -9.967 8.405 -1.644 60 3HD1 LEU 10 3HD1 LEU 10 -10.664 8.510 -0.010 61 1HD2 LEU 10 1HD2 LEU 10 -6.891 8.970 0.356 62 2HD2 LEU 10 2HD2 LEU 10 -8.216 7.860 0.783 63 3HD2 LEU 10 3HD2 LEU 10 -7.639 7.954 -0.899 64 H PHE 11 H PHE 11 -5.496 13.504 -0.799 65 HA PHE 11 HA PHE 11 -3.386 11.758 -0.067 66 2HB PHE 11 2HB PHE 11 -3.670 12.742 -2.971 67 HD1 PHE 11 HD1 PHE 11 -2.018 9.702 -1.715 68 HD2 PHE 11 HD2 PHE 11 -1.459 13.613 -3.263 69 HE1 PHE 11 HE1 PHE 11 0.419 9.214 -2.069 70 HE2 PHE 11 HE2 PHE 11 0.978 13.126 -3.616 71 HZ PHE 11 HZ PHE 11 1.887 10.931 -3.015 72 H VAL 12 H VAL 12 -4.642 14.462 0.502 73 HA VAL 12 HA VAL 12 -2.949 16.463 -0.503 74 HB VAL 12 HB VAL 12 -5.089 16.154 1.468 75 1HG1 VAL 12 1HG1 VAL 12 -2.755 17.948 2.055 76 2HG1 VAL 12 2HG1 VAL 12 -4.401 18.505 2.445 77 3HG1 VAL 12 3HG1 VAL 12 -3.775 17.001 3.166 78 1HG2 VAL 12 1HG2 VAL 12 -4.313 17.899 -0.782 79 2HG2 VAL 12 2HG2 VAL 12 -5.917 17.313 -0.280 80 3HG2 VAL 12 3HG2 VAL 12 -5.191 18.723 0.528 81 H ASN 13 H ASN 13 -0.763 15.845 -0.351 82 HA ASN 13 HA ASN 13 0.288 14.872 2.063 83 2HB ASN 13 2HB ASN 13 2.037 16.263 0.027 84 1HD2 ASN 13 2HD2 ASN 13 2.711 13.362 -0.656 85 2HD2 ASN 13 1HD2 ASN 13 3.752 12.831 0.622 86 H GLY 14 H GLY 14 -0.001 18.066 0.435 87 1HA GLY 14 1HA GLY 14 1.764 19.638 1.793 88 2HA GLY 14 2HA GLY 14 0.187 20.162 1.240 89 HA PRO 15 HA PRO 15 -0.843 20.623 5.438 90 2HB PRO 15 2HB PRO 15 -2.284 22.356 4.963 91 2HG PRO 15 2HG PRO 15 -2.999 22.440 2.772 92 2HD PRO 15 2HD PRO 15 -1.279 21.319 1.738 93 H ARG 16 H ARG 16 -1.524 19.520 7.258 94 HA ARG 16 HA ARG 16 -2.329 16.856 6.562 95 2HB ARG 16 2HB ARG 16 -2.137 16.753 9.263 96 2HG ARG 16 2HG ARG 16 -0.412 16.192 7.073 97 2HD ARG 16 2HD ARG 16 1.810 16.576 8.412 98 HE ARG 16 HE ARG 16 0.615 18.102 6.404 99 1HH1 ARG 16 1HH1 ARG 16 2.764 18.777 9.107 100 2HH1 ARG 16 2HH1 ARG 16 3.528 20.123 8.329 101 1HH2 ARG 16 1HH2 ARG 16 1.622 19.877 5.377 102 2HH2 ARG 16 2HH2 ARG 16 2.874 20.753 6.193 103 H THR 17 H THR 17 -4.325 18.855 6.053 104 HA THR 17 HA THR 17 -6.202 18.542 8.286 105 HB THR 17 HB THR 17 -5.472 20.804 7.021 106 HG1 THR 17 HG1 THR 17 -8.240 19.969 7.532 107 1HG2 THR 17 1HG2 THR 17 -6.241 19.970 4.751 108 2HG2 THR 17 2HG2 THR 17 -7.881 19.791 5.420 109 3HG2 THR 17 3HG2 THR 17 -7.138 21.404 5.303 110 H LEU 18 H LEU 18 -5.298 16.988 5.442 111 HA LEU 18 HA LEU 18 -7.998 16.341 4.632 112 2HB LEU 18 2HB LEU 18 -5.615 14.941 3.532 113 HG LEU 18 HG LEU 18 -6.685 15.001 1.493 114 1HD1 LEU 18 1HD1 LEU 18 -8.629 14.689 3.732 115 2HD1 LEU 18 2HD1 LEU 18 -9.265 14.734 2.070 116 3HD1 LEU 18 3HD1 LEU 18 -8.058 13.508 2.530 117 1HD2 LEU 18 1HD2 LEU 18 -7.090 17.604 1.883 118 2HD2 LEU 18 2HD2 LEU 18 -7.938 16.684 0.615 119 3HD2 LEU 18 3HD2 LEU 18 -8.756 17.037 2.156 120 H CYS 19 H CYS 19 -6.739 13.525 3.950 121 HA CYS 19 HA CYS 19 -7.735 12.344 6.389 122 2HB CYS 19 2HB CYS 19 -6.763 10.542 4.290 123 H GLY 20 H GLY 20 -4.994 13.817 5.902 124 1HA GLY 20 1HA GLY 20 -3.109 13.521 7.241 125 2HA GLY 20 2HA GLY 20 -3.392 11.793 7.288 126 H ALA 21 H ALA 21 -1.023 13.622 6.412 127 HA ALA 21 HA ALA 21 -0.756 12.705 3.650 128 1HB ALA 21 1HB ALA 21 0.756 14.716 5.360 129 2HB ALA 21 2HB ALA 21 1.253 14.248 3.717 130 3HB ALA 21 3HB ALA 21 -0.314 15.050 3.978 131 H GLU 22 H GLU 22 -0.291 11.482 6.693 132 HA GLU 22 HA GLU 22 2.370 10.598 6.484 133 2HB GLU 22 2HB GLU 22 0.194 9.282 8.150 134 2HG GLU 22 2HG GLU 22 3.168 9.820 8.602 135 H LEU 23 H LEU 23 -0.846 8.964 6.033 136 HA LEU 23 HA LEU 23 -0.317 6.481 5.491 137 2HB LEU 23 2HB LEU 23 -2.437 6.822 4.929 138 HG LEU 23 HG LEU 23 -3.257 8.758 3.493 139 1HD1 LEU 23 1HD1 LEU 23 -2.806 8.527 6.246 140 2HD1 LEU 23 2HD1 LEU 23 -2.278 10.173 5.820 141 3HD1 LEU 23 3HD1 LEU 23 -3.927 9.635 5.420 142 1HD2 LEU 23 1HD2 LEU 23 -0.875 9.275 2.691 143 2HD2 LEU 23 2HD2 LEU 23 -1.928 10.646 3.117 144 3HD2 LEU 23 3HD2 LEU 23 -0.668 10.105 4.252 145 H VAL 24 H VAL 24 0.631 9.172 3.282 146 HA VAL 24 HA VAL 24 1.917 7.317 1.494 147 HB VAL 24 HB VAL 24 1.039 9.049 0.314 148 1HG1 VAL 24 1HG1 VAL 24 1.460 10.604 2.810 149 2HG1 VAL 24 2HG1 VAL 24 1.511 11.526 1.289 150 3HG1 VAL 24 3HG1 VAL 24 0.071 10.564 1.700 151 1HG2 VAL 24 1HG2 VAL 24 3.874 9.189 0.676 152 2HG2 VAL 24 2HG2 VAL 24 2.910 9.601 -0.762 153 3HG2 VAL 24 3HG2 VAL 24 3.252 10.843 0.466 154 H ASP 25 H ASP 25 2.866 9.868 3.883 155 HA ASP 25 HA ASP 25 5.594 9.530 3.465 156 2HB ASP 25 2HB ASP 25 4.841 10.293 6.213 157 H ALA 26 H ALA 26 3.215 7.497 4.864 158 HA ALA 26 HA ALA 26 4.873 6.366 6.924 159 1HB ALA 26 1HB ALA 26 2.227 6.612 6.693 160 2HB ALA 26 2HB ALA 26 2.393 5.039 5.875 161 3HB ALA 26 3HB ALA 26 2.959 5.235 7.552 162 H LEU 27 H LEU 27 3.460 5.243 3.766 163 HA LEU 27 HA LEU 27 4.668 2.796 3.666 164 2HB LEU 27 2HB LEU 27 4.447 3.005 1.212 165 HG LEU 27 HG LEU 27 2.254 3.427 3.086 166 1HD1 LEU 27 1HD1 LEU 27 2.144 5.422 1.369 167 2HD1 LEU 27 2HD1 LEU 27 1.485 4.167 0.291 168 3HD1 LEU 27 3HD1 LEU 27 0.679 4.526 1.838 169 1HD2 LEU 27 1HD2 LEU 27 2.987 1.309 1.870 170 2HD2 LEU 27 2HD2 LEU 27 1.243 1.664 1.905 171 3HD2 LEU 27 3HD2 LEU 27 2.189 1.990 0.432 172 H GLN 28 H GLN 28 6.001 6.007 2.690 173 HA GLN 28 HA GLN 28 8.467 4.784 1.940 174 2HB GLN 28 2HB GLN 28 8.234 7.752 2.349 175 2HG GLN 28 2HG GLN 28 10.147 6.259 1.198 176 1HE2 GLN 28 2HE2 GLN 28 9.539 4.422 0.109 177 2HE2 GLN 28 1HE2 GLN 28 8.948 4.420 -1.519 178 H PHE 29 H PHE 29 6.985 5.955 4.851 179 HA PHE 29 HA PHE 29 9.174 6.961 6.218 180 2HB PHE 29 2HB PHE 29 6.501 5.675 6.771 181 HD1 PHE 29 HD1 PHE 29 9.610 6.412 8.669 182 HD2 PHE 29 HD2 PHE 29 5.716 4.728 8.757 183 HE1 PHE 29 HE1 PHE 29 10.067 5.476 10.953 184 HE2 PHE 29 HE2 PHE 29 6.172 3.793 11.041 185 HZ PHE 29 HZ PHE 29 8.341 4.178 12.112 186 H VAL 30 H VAL 30 8.085 3.595 5.632 187 HA VAL 30 HA VAL 30 10.256 2.629 7.329 188 HB VAL 30 HB VAL 30 8.237 0.919 5.914 189 1HG1 VAL 30 1HG1 VAL 30 10.244 0.604 8.019 190 2HG1 VAL 30 2HG1 VAL 30 8.643 -0.005 8.502 191 3HG1 VAL 30 3HG1 VAL 30 9.423 -0.623 7.026 192 1HG2 VAL 30 1HG2 VAL 30 7.771 2.641 8.355 193 2HG2 VAL 30 2HG2 VAL 30 6.773 2.488 6.890 194 3HG2 VAL 30 3HG2 VAL 30 6.847 1.149 8.060 195 H CYS 31 H CYS 31 9.247 3.083 3.980 196 HA CYS 31 HA CYS 31 11.360 1.325 3.053 197 2HB CYS 31 2HB CYS 31 10.074 2.735 0.923 198 H GLY 32 H GLY 32 10.562 4.699 3.684 199 1HA GLY 32 1HA GLY 32 13.097 5.694 3.593 200 2HA GLY 32 2HA GLY 32 12.541 5.832 1.937 201 H ASP 33 H ASP 33 12.563 7.301 5.026 202 HA ASP 33 HA ASP 33 10.134 8.522 5.169 203 2HB ASP 33 2HB ASP 33 11.636 10.460 6.228 204 H ARG 34 H ARG 34 11.006 8.454 2.365 205 HA ARG 34 HA ARG 34 11.540 11.252 1.832 206 2HB ARG 34 2HB ARG 34 12.254 10.558 -0.376 207 2HG ARG 34 2HG ARG 34 13.350 8.108 0.690 208 2HD ARG 34 2HD ARG 34 14.291 10.283 -0.669 209 HE ARG 34 HE ARG 34 14.876 11.897 0.908 210 1HH1 ARG 34 1HH1 ARG 34 15.435 8.714 2.301 211 2HH1 ARG 34 2HH1 ARG 34 16.138 9.334 3.758 212 1HH2 ARG 34 1HH2 ARG 34 15.803 12.716 2.831 213 2HH2 ARG 34 2HH2 ARG 34 16.349 11.625 4.060 214 H GLY 35 H GLY 35 8.959 9.106 2.187 215 1HA GLY 35 1HA GLY 35 6.737 9.619 1.884 216 2HA GLY 35 2HA GLY 35 7.161 10.891 0.756 217 H PHE 36 H PHE 36 5.643 7.953 0.955 218 HA PHE 36 HA PHE 36 6.415 7.247 -1.790 219 2HB PHE 36 2HB PHE 36 5.637 5.695 0.720 220 HD1 PHE 36 HD1 PHE 36 3.321 5.124 -0.211 221 HD2 PHE 36 HD2 PHE 36 6.928 3.824 -2.028 222 HE1 PHE 36 HE1 PHE 36 2.063 3.315 -1.414 223 HE2 PHE 36 HE2 PHE 36 5.671 2.015 -3.230 224 HZ PHE 36 HZ PHE 36 3.254 1.782 -2.908 225 H TYR 37 H TYR 37 4.790 7.026 -3.323 226 HA TYR 37 HA TYR 37 2.344 8.288 -2.821 227 2HB TYR 37 2HB TYR 37 3.762 7.762 -5.000 228 HD1 TYR 37 HD1 TYR 37 4.487 5.217 -3.840 229 HD2 TYR 37 HD2 TYR 37 1.405 6.093 -6.675 230 HE1 TYR 37 HE1 TYR 37 4.602 2.832 -4.713 231 HE2 TYR 37 HE2 TYR 37 1.530 3.704 -7.538 232 HH TYR 37 HH TYR 37 2.825 1.269 -5.914 233 H PHE 38 H PHE 38 0.877 6.106 -4.494 234 HA PHE 38 HA PHE 38 0.482 4.094 -2.442 235 2HB PHE 38 2HB PHE 38 -2.066 4.608 -2.721 236 HD1 PHE 38 HD1 PHE 38 -1.211 4.276 -0.313 237 HD2 PHE 38 HD2 PHE 38 -1.141 8.017 -2.316 238 HE1 PHE 38 HE1 PHE 38 -1.049 5.455 1.897 239 HE2 PHE 38 HE2 PHE 38 -0.980 9.196 -0.106 240 HZ PHE 38 HZ PHE 38 -0.936 7.902 1.974 241 H ASN 39 H ASN 39 -2.251 4.352 -4.426 242 HA ASN 39 HA ASN 39 -1.682 1.998 -5.747 243 2HB ASN 39 2HB ASN 39 -3.630 4.043 -6.873 244 1HD2 ASN 39 2HD2 ASN 39 -5.537 3.043 -7.626 245 2HD2 ASN 39 1HD2 ASN 39 -5.573 1.375 -8.094 246 H LYS 40 H LYS 40 -1.259 1.638 -8.083 247 HA LYS 40 HA LYS 40 0.226 3.866 -9.256 248 2HB LYS 40 2HB LYS 40 1.286 1.577 -8.801 249 2HG LYS 40 2HG LYS 40 0.094 0.782 -11.456 250 2HD LYS 40 2HD LYS 40 1.940 -0.336 -9.652 251 2HE LYS 40 2HE LYS 40 -0.774 -1.724 -9.465 252 1HZ LYS 40 1HZ LYS 40 1.887 -2.653 -8.632 253 2HZ LYS 40 2HZ LYS 40 0.476 -3.404 -8.298 254 3HZ LYS 40 3HZ LYS 40 0.995 -3.291 -9.842 255 HA PRO 41 HA PRO 41 -2.657 4.299 -12.436 256 2HB PRO 41 2HB PRO 41 -1.566 6.126 -13.314 257 2HG PRO 41 2HG PRO 41 0.688 6.224 -12.836 258 2HD PRO 41 2HD PRO 41 0.753 4.958 -10.918 259 H THR 42 H THR 42 -0.117 2.033 -12.936 260 HA THR 42 HA THR 42 -0.653 0.855 -15.267 261 HB THR 42 HB THR 42 -0.417 -0.755 -12.686 262 HG1 THR 42 HG1 THR 42 1.479 0.900 -14.200 263 1HG2 THR 42 1HG2 THR 42 -0.369 -1.919 -14.975 264 2HG2 THR 42 2HG2 THR 42 1.078 -0.953 -15.348 265 3HG2 THR 42 3HG2 THR 42 1.111 -2.123 -14.007 266 H GLY 43 H GLY 43 -2.817 0.859 -12.439 267 1HA GLY 43 1HA GLY 43 -4.554 -1.113 -12.799 268 2HA GLY 43 2HA GLY 43 -5.072 0.525 -12.459 269 H TYR 44 H TYR 44 -6.053 -1.868 -14.269 270 HA TYR 44 HA TYR 44 -6.963 -0.135 -16.390 271 2HB TYR 44 2HB TYR 44 -5.697 -2.820 -17.096 272 HD1 TYR 44 HD1 TYR 44 -5.513 0.797 -18.115 273 HD2 TYR 44 HD2 TYR 44 -6.216 -3.250 -19.307 274 HE1 TYR 44 HE1 TYR 44 -5.869 1.558 -20.515 275 HE2 TYR 44 HE2 TYR 44 -6.570 -2.476 -21.702 276 HH TYR 44 HH TYR 44 -6.233 0.959 -22.554 277 H GLY 45 H GLY 45 -9.042 -0.648 -16.943 278 1HA GLY 45 1HA GLY 45 -10.687 -2.215 -15.544 279 2HA GLY 45 2HA GLY 45 -10.894 -1.925 -17.260 280 H SER 46 H SER 46 -9.414 -3.384 -18.744 281 HA SER 46 HA SER 46 -10.003 -6.054 -17.946 282 2HB SER 46 2HB SER 46 -8.611 -5.002 -20.450 283 HG SER 46 HG SER 46 -8.374 -7.325 -20.068 284 H SER 47 H SER 47 -8.427 -5.784 -16.007 285 HA SER 47 HA SER 47 -6.054 -7.147 -16.697 286 2HB SER 47 2HB SER 47 -5.785 -4.319 -15.582 287 HG SER 47 HG SER 47 -4.041 -5.345 -14.734 288 H SER 48 H SER 48 -6.037 -8.676 -15.094 289 HA SER 48 HA SER 48 -7.268 -8.000 -12.587 290 2HB SER 48 2HB SER 48 -6.004 -10.676 -12.932 291 HG SER 48 HG SER 48 -7.926 -11.351 -12.005 292 H ARG 49 H ARG 49 -6.039 -7.090 -10.983 293 HA ARG 49 HA ARG 49 -3.603 -8.318 -10.273 294 2HB ARG 49 2HB ARG 49 -3.504 -5.446 -11.329 295 2HG ARG 49 2HG ARG 49 -2.012 -6.029 -9.310 296 2HD ARG 49 2HD ARG 49 -1.210 -8.211 -9.606 297 HE ARG 49 HE ARG 49 -0.707 -7.730 -12.524 298 1HH1 ARG 49 1HH1 ARG 49 -2.132 -9.629 -9.926 299 2HH1 ARG 49 2HH1 ARG 49 -2.669 -10.898 -10.976 300 1HH2 ARG 49 1HH2 ARG 49 -1.416 -9.404 -13.910 301 2HH2 ARG 49 2HH2 ARG 49 -2.259 -10.769 -13.257 302 H ARG 50 H ARG 50 -4.336 -8.495 -8.139 303 HA ARG 50 HA ARG 50 -5.993 -7.023 -6.773 304 2HB ARG 50 2HB ARG 50 -4.876 -8.951 -5.769 305 2HG ARG 50 2HG ARG 50 -2.386 -7.333 -5.219 306 2HD ARG 50 2HD ARG 50 -3.174 -9.834 -4.442 307 HE ARG 50 HE ARG 50 -2.962 -11.222 -6.306 308 1HH1 ARG 50 1HH1 ARG 50 -0.411 -8.801 -6.405 309 2HH1 ARG 50 2HH1 ARG 50 0.372 -9.497 -7.786 310 1HH2 ARG 50 1HH2 ARG 50 -1.931 -12.142 -8.127 311 2HH2 ARG 50 2HH2 ARG 50 -0.499 -11.410 -8.771 312 H ALA 51 H ALA 51 -6.217 -4.806 -6.646 313 HA ALA 51 HA ALA 51 -3.836 -3.285 -5.874 314 1HB ALA 51 1HB ALA 51 -4.773 -3.269 -8.450 315 2HB ALA 51 2HB ALA 51 -5.706 -1.932 -7.736 316 3HB ALA 51 3HB ALA 51 -3.926 -1.906 -7.680 317 H CYS 52 H CYS 52 -4.777 -3.458 -3.713 318 HA CYS 52 HA CYS 52 -6.822 -1.431 -3.362 319 2HB CYS 52 2HB CYS 52 -7.218 -3.865 -1.698 320 HG CYS 52 HG CYS 52 -9.014 -1.645 -3.376 321 H GLN 53 H GLN 53 -4.606 -3.880 -1.849 322 HA GLN 53 HA GLN 53 -4.319 -3.067 0.606 323 2HB GLN 53 2HB GLN 53 -2.290 -3.920 -1.440 324 2HG GLN 53 2HG GLN 53 -1.670 -2.537 1.137 325 1HE2 GLN 53 2HE2 GLN 53 -1.237 -3.753 2.828 326 2HE2 GLN 53 1HE2 GLN 53 -0.197 -5.139 2.871 327 H THR 54 H THR 54 -3.238 -1.210 -2.253 328 HA THR 54 HA THR 54 -1.727 0.710 -0.845 329 HB THR 54 HB THR 54 -2.034 0.024 -3.448 330 HG1 THR 54 HG1 THR 54 -1.564 2.657 -2.239 331 1HG2 THR 54 1HG2 THR 54 -4.411 1.362 -3.154 332 2HG2 THR 54 2HG2 THR 54 -3.330 2.727 -3.518 333 3HG2 THR 54 3HG2 THR 54 -3.475 1.376 -4.667 334 H GLY 55 H GLY 55 -4.403 0.032 0.358 335 1HA GLY 55 1HA GLY 55 -5.920 2.489 0.044 336 2HA GLY 55 2HA GLY 55 -6.320 1.097 1.032 337 H ILE 56 H ILE 56 -3.017 2.184 1.331 338 HA ILE 56 HA ILE 56 -3.161 2.614 4.034 339 HB ILE 56 HB ILE 56 -1.254 3.561 1.913 340 2HG1 ILE 56 2HG1 ILE 56 0.070 1.864 3.624 341 1HG2 ILE 56 1HG2 ILE 56 -1.004 3.956 4.907 342 2HG2 ILE 56 2HG2 ILE 56 0.302 4.194 3.721 343 3HG2 ILE 56 3HG2 ILE 56 -1.146 5.227 3.669 344 1HD1 ILE 56 1HD1 ILE 56 -2.784 0.851 3.219 345 2HD1 ILE 56 2HD1 ILE 56 -1.419 -0.120 3.822 346 3HD1 ILE 56 3HD1 ILE 56 -2.032 1.247 4.784 347 H VAL 57 H VAL 57 -4.686 4.417 1.625 348 HA VAL 57 HA VAL 57 -4.583 6.859 3.248 349 HB VAL 57 HB VAL 57 -5.926 7.267 0.786 350 1HG1 VAL 57 1HG1 VAL 57 -4.632 8.930 2.071 351 2HG1 VAL 57 2HG1 VAL 57 -3.129 8.074 1.653 352 3HG1 VAL 57 3HG1 VAL 57 -4.100 8.841 0.375 353 1HG2 VAL 57 1HG2 VAL 57 -3.355 5.683 0.507 354 2HG2 VAL 57 2HG2 VAL 57 -4.957 5.300 -0.168 355 3HG2 VAL 57 3HG2 VAL 57 -4.038 6.693 -0.790 356 H ASP 58 H ASP 58 -6.832 4.695 1.393 357 HA ASP 58 HA ASP 58 -9.021 5.841 2.867 358 2HB ASP 58 2HB ASP 58 -9.064 3.568 0.831 359 H GLU 59 H GLU 59 -6.896 3.019 2.755 360 HA GLU 59 HA GLU 59 -8.689 1.442 4.360 361 2HB GLU 59 2HB GLU 59 -5.872 0.854 3.343 362 2HG GLU 59 2HG GLU 59 -7.907 -0.730 4.917 363 H CYS 60 H CYS 60 -5.995 3.657 4.708 364 HA CYS 60 HA CYS 60 -5.298 2.660 7.319 365 2HB CYS 60 2HB CYS 60 -4.307 5.259 6.206 366 H CYS 61 H CYS 61 -7.073 5.350 5.724 367 HA CYS 61 HA CYS 61 -7.504 6.790 8.116 368 2HB CYS 61 2HB CYS 61 -9.516 7.552 6.385 369 H PHE 62 H PHE 62 -9.127 4.161 6.319 370 HA PHE 62 HA PHE 62 -11.438 4.302 8.065 371 2HB PHE 62 2HB PHE 62 -10.582 2.408 5.792 372 HD1 PHE 62 HD1 PHE 62 -13.832 3.991 6.608 373 HD2 PHE 62 HD2 PHE 62 -11.620 0.378 6.376 374 HE1 PHE 62 HE1 PHE 62 -15.940 2.678 6.967 375 HE2 PHE 62 HE2 PHE 62 -13.728 -0.936 6.735 376 HZ PHE 62 HZ PHE 62 -15.863 0.229 7.027 377 H ARG 63 H ARG 63 -8.814 1.963 7.150 378 HA ARG 63 HA ARG 63 -9.518 0.493 9.554 379 2HB ARG 63 2HB ARG 63 -7.513 -0.659 7.655 380 2HG ARG 63 2HG ARG 63 -9.438 -2.528 7.911 381 2HD ARG 63 2HD ARG 63 -7.999 -2.223 10.483 382 HE ARG 63 HE ARG 63 -8.097 -4.505 10.040 383 1HH1 ARG 63 1HH1 ARG 63 -7.482 -2.818 7.014 384 2HH1 ARG 63 2HH1 ARG 63 -7.372 -4.272 6.078 385 1HH2 ARG 63 2HH2 ARG 63 -7.950 -6.423 8.807 386 2HH2 ARG 63 1HH2 ARG 63 -7.639 -6.335 7.105 387 H SER 64 H SER 64 -8.359 1.597 11.185 388 HA SER 64 HA SER 64 -6.158 2.954 11.163 389 2HB SER 64 2HB SER 64 -5.680 2.217 13.444 390 HG SER 64 HG SER 64 -7.658 2.635 14.307 391 H CYS 65 H CYS 65 -4.520 2.544 9.649 392 HA CYS 65 HA CYS 65 -3.228 -0.072 9.863 393 2HB CYS 65 2HB CYS 65 -4.220 1.006 7.632 394 H ASP 66 H ASP 66 -1.685 0.211 11.488 395 HA ASP 66 HA ASP 66 -0.478 2.558 12.136 396 2HB ASP 66 2HB ASP 66 1.174 1.199 13.318 397 H LEU 67 H LEU 67 2.341 0.950 11.843 398 HA LEU 67 HA LEU 67 2.962 2.199 9.271 399 2HB LEU 67 2HB LEU 67 4.117 2.722 11.564 400 HG LEU 67 HG LEU 67 5.023 0.053 11.217 401 1HD1 LEU 67 1HD1 LEU 67 6.907 2.052 10.147 402 2HD1 LEU 67 2HD1 LEU 67 7.591 0.948 11.364 403 3HD1 LEU 67 3HD1 LEU 67 6.824 0.292 9.898 404 1HD2 LEU 67 1HD2 LEU 67 4.623 1.513 13.303 405 2HD2 LEU 67 2HD2 LEU 67 5.965 0.344 13.330 406 3HD2 LEU 67 3HD2 LEU 67 6.295 2.071 13.057 407 H ARG 68 H ARG 68 2.179 -0.790 10.667 408 HA ARG 68 HA ARG 68 4.045 -2.402 9.361 409 2HB ARG 68 2HB ARG 68 2.064 -4.154 9.727 410 2HG ARG 68 2HG ARG 68 2.555 -3.676 12.390 411 2HD ARG 68 2HD ARG 68 3.902 -5.165 10.201 412 HE ARG 68 HE ARG 68 5.639 -3.879 12.002 413 1HH1 ARG 68 1HH1 ARG 68 4.854 -7.194 11.124 414 2HH1 ARG 68 2HH1 ARG 68 6.429 -7.804 11.508 415 1HH2 ARG 68 1HH2 ARG 68 7.717 -4.682 12.509 416 2HH2 ARG 68 2HH2 ARG 68 8.069 -6.366 12.302 417 H ARG 69 H ARG 69 0.864 -1.009 8.488 418 HA ARG 69 HA ARG 69 0.443 -2.629 6.263 419 2HB ARG 69 2HB ARG 69 -0.737 0.007 5.911 420 2HG ARG 69 2HG ARG 69 -1.620 -2.417 5.408 421 2HD ARG 69 2HD ARG 69 -3.360 -2.785 7.481 422 HE ARG 69 HE ARG 69 -1.147 -4.195 6.500 423 1HH1 ARG 69 1HH1 ARG 69 -2.644 -3.717 9.649 424 2HH1 ARG 69 2HH1 ARG 69 -2.144 -5.257 10.262 425 1HH2 ARG 69 1HH2 ARG 69 -0.487 -6.228 7.310 426 2HH2 ARG 69 2HH2 ARG 69 -0.909 -6.695 8.924 427 H LEU 70 H LEU 70 1.188 0.940 6.321 428 HA LEU 70 HA LEU 70 1.901 1.178 3.696 429 2HB LEU 70 2HB LEU 70 1.520 3.097 5.007 430 HG LEU 70 HG LEU 70 3.645 3.745 6.549 431 1HD1 LEU 70 1HD1 LEU 70 1.134 3.864 6.988 432 2HD1 LEU 70 2HD1 LEU 70 1.300 2.251 7.721 433 3HD1 LEU 70 3HD1 LEU 70 2.197 3.631 8.396 434 1HD2 LEU 70 1HD2 LEU 70 4.602 1.458 6.304 435 2HD2 LEU 70 2HD2 LEU 70 4.287 1.935 7.990 436 3HD2 LEU 70 3HD2 LEU 70 3.179 0.815 7.161 437 H GLU 71 H GLU 71 3.556 -0.503 6.259 438 HA GLU 71 HA GLU 71 6.114 -0.311 5.032 439 2HB GLU 71 2HB GLU 71 4.938 -1.575 7.460 440 2HG GLU 71 2HG GLU 71 6.847 -3.014 5.756 441 H MET 72 H MET 72 3.288 -2.442 4.886 442 HA MET 72 HA MET 72 4.616 -4.661 3.824 443 2HB MET 72 2HB MET 72 1.981 -4.739 2.848 444 2HG MET 72 2HG MET 72 1.479 -5.918 5.074 445 1HE MET 72 1HE MET 72 4.282 -7.402 5.913 446 2HE MET 72 2HE MET 72 2.924 -8.537 5.724 447 3HE MET 72 3HE MET 72 4.448 -8.820 4.849 448 H TYR 73 H TYR 73 2.560 -2.107 2.237 449 HA TYR 73 HA TYR 73 2.966 -2.968 -0.367 450 2HB TYR 73 2HB TYR 73 2.843 -0.026 0.384 451 HD1 TYR 73 HD1 TYR 73 1.033 -2.890 -1.226 452 HD2 TYR 73 HD2 TYR 73 1.958 1.285 -1.325 453 HE1 TYR 73 HE1 TYR 73 -0.167 -2.671 -3.456 454 HE2 TYR 73 HE2 TYR 73 0.754 1.491 -3.556 455 HH TYR 73 HH TYR 73 -0.764 -1.356 -5.054 456 H CYS 74 H CYS 74 5.188 -1.480 1.863 457 HA CYS 74 HA CYS 74 6.855 0.104 1.011 458 2HB CYS 74 2HB CYS 74 8.415 -2.351 0.878 459 H ALA 75 H ALA 75 5.413 -0.012 -1.288 460 HA ALA 75 HA ALA 75 6.685 -1.525 -3.335 461 1HB ALA 75 1HB ALA 75 4.375 0.219 -2.982 462 2HB ALA 75 2HB ALA 75 5.237 0.587 -4.495 463 3HB ALA 75 3HB ALA 75 4.652 -1.064 -4.184 464 HA PRO 76 HA PRO 76 9.897 1.236 -4.233 465 2HB PRO 76 2HB PRO 76 11.104 -0.411 -5.298 466 2HG PRO 76 2HG PRO 76 9.849 -2.202 -6.031 467 2HD PRO 76 2HD PRO 76 8.054 -2.056 -4.601 468 H LEU 77 H LEU 77 9.484 3.354 -4.309 469 HA LEU 77 HA LEU 77 8.996 4.475 -6.847 470 2HB LEU 77 2HB LEU 77 6.657 4.309 -4.951 471 HG LEU 77 HG LEU 77 6.174 6.413 -5.631 472 1HD1 LEU 77 1HD1 LEU 77 8.104 5.904 -7.875 473 2HD1 LEU 77 2HD1 LEU 77 6.979 7.281 -7.951 474 3HD1 LEU 77 3HD1 LEU 77 8.136 7.150 -6.604 475 1HD2 LEU 77 1HD2 LEU 77 4.844 4.503 -7.064 476 2HD2 LEU 77 2HD2 LEU 77 4.429 6.234 -7.025 477 3HD2 LEU 77 3HD2 LEU 77 5.424 5.587 -8.352 478 H LYS 78 H LYS 78 10.414 6.123 -6.664 479 HA LYS 78 HA LYS 78 10.225 7.733 -4.216 480 2HB LYS 78 2HB LYS 78 12.855 7.432 -5.614 481 2HG LYS 78 2HG LYS 78 13.555 7.538 -3.136 482 2HD LYS 78 2HD LYS 78 12.402 9.680 -4.829 483 2HE LYS 78 2HE LYS 78 13.081 10.775 -2.183 484 1HZ LYS 78 1HZ LYS 78 10.749 11.036 -3.953 485 2HZ LYS 78 2HZ LYS 78 11.061 11.986 -2.662 486 3HZ LYS 78 3HZ LYS 78 12.060 12.009 -3.953 487 HA PRO 79 HA PRO 79 9.433 10.437 -7.665 488 2HB PRO 79 2HB PRO 79 7.158 10.583 -7.337 489 2HG PRO 79 2HG PRO 79 6.414 9.692 -5.344 490 2HD PRO 79 2HD PRO 79 8.108 8.203 -4.904 491 H ALA 80 H ALA 80 11.107 11.712 -8.128 492 HA ALA 80 HA ALA 80 11.394 14.061 -6.538 493 1HB ALA 80 1HB ALA 80 12.845 11.762 -5.720 494 2HB ALA 80 2HB ALA 80 14.012 12.833 -6.532 495 3HB ALA 80 3HB ALA 80 13.053 13.438 -5.159 496 H LYS 81 H LYS 81 10.883 14.935 -8.650 497 HA LYS 81 HA LYS 81 13.101 15.690 -10.109 498 2HB LYS 81 2HB LYS 81 13.404 13.497 -10.945 499 2HG LYS 81 2HG LYS 81 10.591 13.251 -10.565 500 2HD LYS 81 2HD LYS 81 10.877 13.953 -13.198 501 2HE LYS 81 2HE LYS 81 11.366 10.964 -12.955 502 1HZ LYS 81 1HZ LYS 81 9.427 11.950 -14.496 503 2HZ LYS 81 2HZ LYS 81 10.692 11.999 -15.526 504 3HZ LYS 81 3HZ LYS 81 10.264 10.586 -14.828 505 H SER 82 H SER 82 10.773 16.803 -8.868 506 HA SER 82 HA SER 82 8.567 17.302 -10.035 507 2HB SER 82 2HB SER 82 10.265 19.771 -9.642 508 HG SER 82 HG SER 82 7.755 19.118 -8.400 509 H ALA 83 H ALA 83 11.530 19.059 -11.236 510 HA ALA 83 HA ALA 83 10.225 19.922 -13.596 511 1HB ALA 83 1HB ALA 83 12.465 20.643 -12.186 512 2HB ALA 83 2HB ALA 83 13.184 19.785 -13.569 513 3HB ALA 83 3HB ALA 83 12.105 21.173 -13.847 Start of MODEL 12 1 H MET 1 H MET 1 2.926 26.078 -3.209 2 HA MET 1 HA MET 1 4.913 24.033 -2.675 3 2HB MET 1 2HB MET 1 3.021 23.274 -1.030 4 2HG MET 1 2HG MET 1 5.097 24.937 -0.610 5 1HE MET 1 1HE MET 1 5.650 26.912 0.838 6 2HE MET 1 2HE MET 1 4.775 28.462 0.848 7 3HE MET 1 3HE MET 1 4.236 27.129 1.897 8 H PHE 2 H PHE 2 2.697 24.675 -5.038 9 HA PHE 2 HA PHE 2 2.713 22.399 -6.349 10 2HB PHE 2 2HB PHE 2 0.174 21.724 -5.284 11 HD1 PHE 2 HD1 PHE 2 3.782 21.188 -5.229 12 HD2 PHE 2 HD2 PHE 2 -0.002 19.432 -4.451 13 HE1 PHE 2 HE1 PHE 2 4.848 18.917 -5.172 14 HE2 PHE 2 HE2 PHE 2 1.064 17.161 -4.394 15 HZ PHE 2 HZ PHE 2 3.476 16.930 -4.755 16 HA PRO 3 HA PRO 3 -0.207 24.548 -8.722 17 2HB PRO 3 2HB PRO 3 0.143 23.229 -10.577 18 2HG PRO 3 2HG PRO 3 0.901 21.100 -10.117 19 2HD PRO 3 2HD PRO 3 1.875 21.449 -8.064 20 H ALA 4 H ALA 4 -2.396 21.869 -8.716 21 HA ALA 4 HA ALA 4 -4.670 23.101 -8.321 22 1HB ALA 4 1HB ALA 4 -3.695 20.578 -6.932 23 2HB ALA 4 2HB ALA 4 -5.400 21.086 -6.965 24 3HB ALA 4 3HB ALA 4 -4.557 20.702 -8.485 25 H MET 5 H MET 5 -3.335 21.676 -5.289 26 HA MET 5 HA MET 5 -4.248 24.096 -3.959 27 2HB MET 5 2HB MET 5 -4.865 21.491 -3.428 28 2HG MET 5 2HG MET 5 -3.533 20.682 -1.516 29 1HE MET 5 1HE MET 5 -1.579 19.443 -1.368 30 2HE MET 5 2HE MET 5 -0.796 18.687 -2.776 31 3HE MET 5 3HE MET 5 -0.112 20.170 -2.069 32 HA PRO 6 HA PRO 6 -0.260 25.015 -2.489 33 2HB PRO 6 2HB PRO 6 -0.978 26.677 -1.068 34 2HG PRO 6 2HG PRO 6 -3.133 26.415 -0.289 35 2HD PRO 6 2HD PRO 6 -4.012 25.097 -1.956 36 H LEU 7 H LEU 7 -1.352 23.254 0.372 37 HA LEU 7 HA LEU 7 0.353 21.059 -0.249 38 2HB LEU 7 2HB LEU 7 1.190 22.503 2.228 39 HG LEU 7 HG LEU 7 3.317 21.498 1.888 40 1HD1 LEU 7 1HD1 LEU 7 1.540 20.058 2.852 41 2HD1 LEU 7 2HD1 LEU 7 1.254 19.377 1.233 42 3HD1 LEU 7 3HD1 LEU 7 2.827 19.144 2.032 43 1HD2 LEU 7 1HD2 LEU 7 2.400 21.235 -0.894 44 2HD2 LEU 7 2HD2 LEU 7 4.040 21.438 -0.231 45 3HD2 LEU 7 3HD2 LEU 7 3.290 19.824 -0.273 46 H SER 8 H SER 8 -2.222 20.777 -0.044 47 HA SER 8 HA SER 8 -2.518 19.319 2.355 48 2HB SER 8 2HB SER 8 -3.426 20.978 3.611 49 HG SER 8 HG SER 8 -4.544 22.800 2.006 50 H SER 9 H SER 9 -2.490 18.196 -0.030 51 HA SER 9 HA SER 9 -5.306 17.764 -0.608 52 2HB SER 9 2HB SER 9 -3.066 18.207 -2.622 53 HG SER 9 HG SER 9 -4.473 17.532 -4.237 54 H LEU 10 H LEU 10 -5.117 15.847 0.747 55 HA LEU 10 HA LEU 10 -5.058 13.598 0.757 56 2HB LEU 10 2HB LEU 10 -4.123 12.279 -0.931 57 HG LEU 10 HG LEU 10 -5.493 14.691 -1.846 58 1HD1 LEU 10 1HD1 LEU 10 -3.206 13.747 -3.411 59 2HD1 LEU 10 2HD1 LEU 10 -4.735 13.750 -4.323 60 3HD1 LEU 10 3HD1 LEU 10 -4.158 15.246 -3.547 61 1HD2 LEU 10 1HD2 LEU 10 -5.929 11.920 -1.711 62 2HD2 LEU 10 2HD2 LEU 10 -7.031 13.168 -2.340 63 3HD2 LEU 10 3HD2 LEU 10 -5.919 12.324 -3.444 64 H PHE 11 H PHE 11 -3.567 15.514 2.320 65 HA PHE 11 HA PHE 11 -1.664 13.703 3.427 66 2HB PHE 11 2HB PHE 11 -0.791 16.420 2.274 67 HD1 PHE 11 HD1 PHE 11 0.399 17.051 4.311 68 HD2 PHE 11 HD2 PHE 11 1.236 13.388 2.340 69 HE1 PHE 11 HE1 PHE 11 2.529 16.832 5.620 70 HE2 PHE 11 HE2 PHE 11 3.366 13.169 3.649 71 HZ PHE 11 HZ PHE 11 3.987 14.894 5.275 72 H VAL 12 H VAL 12 -4.157 15.553 3.903 73 HA VAL 12 HA VAL 12 -3.466 17.611 5.605 74 HB VAL 12 HB VAL 12 -5.828 15.954 5.015 75 1HG1 VAL 12 1HG1 VAL 12 -5.334 17.035 7.747 76 2HG1 VAL 12 2HG1 VAL 12 -6.946 17.309 7.046 77 3HG1 VAL 12 3HG1 VAL 12 -6.321 15.651 7.219 78 1HG2 VAL 12 1HG2 VAL 12 -5.299 18.916 5.401 79 2HG2 VAL 12 2HG2 VAL 12 -5.536 18.040 3.869 80 3HG2 VAL 12 3HG2 VAL 12 -6.895 18.235 5.003 81 H ASN 13 H ASN 13 -1.691 17.050 6.942 82 HA ASN 13 HA ASN 13 -1.116 14.937 8.305 83 2HB ASN 13 2HB ASN 13 -0.951 16.868 10.363 84 1HD2 ASN 13 1HD2 ASN 13 0.802 15.774 10.961 85 2HD2 ASN 13 2HD2 ASN 13 2.277 15.645 10.063 86 H GLY 14 H GLY 14 -3.451 17.431 9.599 87 1HA GLY 14 1HA GLY 14 -4.286 16.100 11.867 88 2HA GLY 14 2HA GLY 14 -5.236 17.255 10.954 89 HA PRO 15 HA PRO 15 -6.686 12.815 10.334 90 2HB PRO 15 2HB PRO 15 -6.382 11.602 12.268 91 2HG PRO 15 2HG PRO 15 -5.752 12.853 14.100 92 2HD PRO 15 2HD PRO 15 -4.793 14.661 13.050 93 H ARG 16 H ARG 16 -7.639 14.888 9.154 94 HA ARG 16 HA ARG 16 -10.389 15.074 10.049 95 2HB ARG 16 2HB ARG 16 -10.336 16.953 8.152 96 2HG ARG 16 2HG ARG 16 -8.903 17.168 10.840 97 2HD ARG 16 2HD ARG 16 -9.363 19.622 10.636 98 HE ARG 16 HE ARG 16 -7.733 19.213 8.261 99 1HH1 ARG 16 1HH1 ARG 16 -7.815 18.743 11.747 100 2HH1 ARG 16 2HH1 ARG 16 -6.092 18.739 11.917 101 1HH2 ARG 16 1HH2 ARG 16 -5.459 19.208 8.483 102 2HH2 ARG 16 2HH2 ARG 16 -4.742 19.005 10.047 103 H THR 17 H THR 17 -9.615 15.937 6.733 104 HA THR 17 HA THR 17 -11.227 13.681 5.807 105 HB THR 17 HB THR 17 -10.244 16.023 4.137 106 HG1 THR 17 HG1 THR 17 -12.528 15.855 5.972 107 1HG2 THR 17 1HG2 THR 17 -12.822 14.377 4.293 108 2HG2 THR 17 2HG2 THR 17 -12.626 15.819 3.268 109 3HG2 THR 17 3HG2 THR 17 -11.640 14.369 2.962 110 H LEU 18 H LEU 18 -8.311 15.421 4.527 111 HA LEU 18 HA LEU 18 -7.466 12.926 3.336 112 2HB LEU 18 2HB LEU 18 -5.608 14.420 2.467 113 HG LEU 18 HG LEU 18 -7.022 15.722 0.892 114 1HD1 LEU 18 1HD1 LEU 18 -7.008 12.834 1.259 115 2HD1 LEU 18 2HD1 LEU 18 -8.439 13.393 0.360 116 3HD1 LEU 18 3HD1 LEU 18 -6.807 13.806 -0.219 117 1HD2 LEU 18 1HD2 LEU 18 -8.846 16.129 2.623 118 2HD2 LEU 18 2HD2 LEU 18 -9.373 15.739 0.968 119 3HD2 LEU 18 3HD2 LEU 18 -9.428 14.491 2.237 120 H CYS 19 H CYS 19 -7.570 12.547 6.044 121 HA CYS 19 HA CYS 19 -5.260 13.278 7.418 122 2HB CYS 19 2HB CYS 19 -7.280 12.517 8.534 123 H GLY 20 H GLY 20 -5.647 11.375 4.653 124 1HA GLY 20 1HA GLY 20 -3.890 9.209 5.180 125 2HA GLY 20 2HA GLY 20 -4.419 9.795 3.616 126 H ALA 21 H ALA 21 -2.556 11.397 6.295 127 HA ALA 21 HA ALA 21 -0.559 12.132 4.284 128 1HB ALA 21 1HB ALA 21 -1.885 13.773 5.888 129 2HB ALA 21 2HB ALA 21 -0.656 13.262 7.070 130 3HB ALA 21 3HB ALA 21 -0.159 14.037 5.547 131 H GLU 22 H GLU 22 -1.212 10.017 6.962 132 HA GLU 22 HA GLU 22 1.548 9.779 7.681 133 2HB GLU 22 2HB GLU 22 -0.567 7.823 8.576 134 2HG GLU 22 2HG GLU 22 1.524 9.357 10.175 135 H LEU 23 H LEU 23 -0.983 7.431 6.508 136 HA LEU 23 HA LEU 23 0.515 5.308 5.941 137 2HB LEU 23 2HB LEU 23 -1.602 4.868 5.397 138 HG LEU 23 HG LEU 23 -3.081 6.377 3.990 139 1HD1 LEU 23 1HD1 LEU 23 -2.502 6.375 6.758 140 2HD1 LEU 23 2HD1 LEU 23 -2.755 8.072 6.284 141 3HD1 LEU 23 3HD1 LEU 23 -4.011 6.856 5.945 142 1HD2 LEU 23 1HD2 LEU 23 -0.975 7.745 3.266 143 2HD2 LEU 23 2HD2 LEU 23 -2.536 8.564 3.512 144 3HD2 LEU 23 3HD2 LEU 23 -1.281 8.645 4.771 145 H VAL 24 H VAL 24 0.537 8.413 4.186 146 HA VAL 24 HA VAL 24 2.174 7.381 2.073 147 HB VAL 24 HB VAL 24 0.984 9.097 1.249 148 1HG1 VAL 24 1HG1 VAL 24 1.000 10.240 4.048 149 2HG1 VAL 24 2HG1 VAL 24 0.405 11.173 2.654 150 3HG1 VAL 24 3HG1 VAL 24 -0.375 9.636 3.093 151 1HG2 VAL 24 1HG2 VAL 24 3.276 10.633 2.520 152 2HG2 VAL 24 2HG2 VAL 24 3.300 9.799 0.948 153 3HG2 VAL 24 3HG2 VAL 24 2.254 11.219 1.186 154 H ASP 25 H ASP 25 2.608 9.273 5.108 155 HA ASP 25 HA ASP 25 5.325 9.756 4.638 156 2HB ASP 25 2HB ASP 25 4.512 9.577 7.475 157 H ALA 26 H ALA 26 3.402 7.076 5.922 158 HA ALA 26 HA ALA 26 5.391 5.838 7.477 159 1HB ALA 26 1HB ALA 26 2.754 5.508 7.214 160 2HB ALA 26 2HB ALA 26 3.270 4.255 6.061 161 3HB ALA 26 3HB ALA 26 3.807 4.179 7.756 162 H LEU 27 H LEU 27 4.231 5.253 4.082 163 HA LEU 27 HA LEU 27 6.285 3.358 3.586 164 2HB LEU 27 2HB LEU 27 5.486 3.523 1.253 165 HG LEU 27 HG LEU 27 3.656 2.947 3.507 166 1HD1 LEU 27 1HD1 LEU 27 2.644 3.819 0.827 167 2HD1 LEU 27 2HD1 LEU 27 1.816 2.501 1.690 168 3HD1 LEU 27 3HD1 LEU 27 1.974 4.101 2.452 169 1HD2 LEU 27 1HD2 LEU 27 5.189 1.305 2.376 170 2HD2 LEU 27 2HD2 LEU 27 3.481 0.812 2.469 171 3HD2 LEU 27 3HD2 LEU 27 4.147 1.427 0.938 172 H GLN 28 H GLN 28 5.829 6.876 3.009 173 HA GLN 28 HA GLN 28 8.167 7.096 1.462 174 2HB GLN 28 2HB GLN 28 7.206 9.504 2.931 175 2HG GLN 28 2HG GLN 28 6.991 9.310 -0.022 176 1HE2 GLN 28 2HE2 GLN 28 8.815 10.545 2.775 177 2HE2 GLN 28 1HE2 GLN 28 8.734 12.227 2.366 178 H PHE 29 H PHE 29 7.726 6.376 4.720 179 HA PHE 29 HA PHE 29 10.003 7.921 5.642 180 2HB PHE 29 2HB PHE 29 7.738 6.248 6.738 181 HD1 PHE 29 HD1 PHE 29 10.838 7.664 8.280 182 HD2 PHE 29 HD2 PHE 29 8.055 4.464 8.151 183 HE1 PHE 29 HE1 PHE 29 12.057 6.530 10.158 184 HE2 PHE 29 HE2 PHE 29 9.273 3.329 10.030 185 HZ PHE 29 HZ PHE 29 11.260 4.376 11.011 186 H VAL 30 H VAL 30 8.947 4.436 5.587 187 HA VAL 30 HA VAL 30 11.774 3.708 5.778 188 HB VAL 30 HB VAL 30 9.184 2.481 6.567 189 1HG1 VAL 30 1HG1 VAL 30 11.608 0.822 5.792 190 2HG1 VAL 30 2HG1 VAL 30 10.178 0.220 6.665 191 3HG1 VAL 30 3HG1 VAL 30 10.017 0.812 4.994 192 1HG2 VAL 30 1HG2 VAL 30 11.134 3.616 7.990 193 2HG2 VAL 30 2HG2 VAL 30 10.178 2.252 8.617 194 3HG2 VAL 30 3HG2 VAL 30 11.794 1.964 7.930 195 H CYS 31 H CYS 31 8.875 3.595 3.718 196 HA CYS 31 HA CYS 31 9.883 1.681 1.921 197 2HB CYS 31 2HB CYS 31 8.041 3.590 0.732 198 H GLY 32 H GLY 32 10.356 5.141 2.473 199 1HA GLY 32 1HA GLY 32 12.503 5.922 1.511 200 2HA GLY 32 2HA GLY 32 11.931 5.312 -0.028 201 H ASP 33 H ASP 33 12.322 8.105 1.709 202 HA ASP 33 HA ASP 33 10.104 9.523 1.765 203 2HB ASP 33 2HB ASP 33 12.067 10.691 2.327 204 H ARG 34 H ARG 34 11.576 8.072 -1.062 205 HA ARG 34 HA ARG 34 10.684 9.811 -3.011 206 2HB ARG 34 2HB ARG 34 12.330 8.135 -3.584 207 2HG ARG 34 2HG ARG 34 10.746 6.442 -1.927 208 2HD ARG 34 2HD ARG 34 11.254 4.848 -4.395 209 HE ARG 34 HE ARG 34 8.732 4.719 -2.881 210 1HH1 ARG 34 1HH1 ARG 34 12.060 3.600 -3.116 211 2HH1 ARG 34 2HH1 ARG 34 11.785 2.181 -2.162 212 1HH2 ARG 34 1HH2 ARG 34 8.369 2.846 -1.622 213 2HH2 ARG 34 2HH2 ARG 34 9.671 1.750 -1.306 214 H GLY 35 H GLY 35 8.917 7.863 -0.838 215 1HA GLY 35 1HA GLY 35 6.697 7.508 -0.644 216 2HA GLY 35 2HA GLY 35 6.430 8.439 -2.104 217 H PHE 36 H PHE 36 5.446 5.681 -1.026 218 HA PHE 36 HA PHE 36 6.367 4.016 -3.243 219 2HB PHE 36 2HB PHE 36 5.077 3.677 -0.512 220 HD1 PHE 36 HD1 PHE 36 6.176 0.962 -2.743 221 HD2 PHE 36 HD2 PHE 36 2.870 2.811 -0.830 222 HE1 PHE 36 HE1 PHE 36 4.739 -1.014 -3.318 223 HE2 PHE 36 HE2 PHE 36 1.433 0.834 -1.404 224 HZ PHE 36 HZ PHE 36 2.384 -1.054 -2.641 225 H TYR 37 H TYR 37 4.530 2.473 -4.103 226 HA TYR 37 HA TYR 37 2.476 4.220 -5.116 227 2HB TYR 37 2HB TYR 37 2.961 1.193 -5.414 228 HD1 TYR 37 HD1 TYR 37 2.191 4.240 -7.485 229 HD2 TYR 37 HD2 TYR 37 1.271 0.157 -6.602 230 HE1 TYR 37 HE1 TYR 37 0.392 4.250 -9.281 231 HE2 TYR 37 HE2 TYR 37 -0.524 0.179 -8.403 232 HH TYR 37 HH TYR 37 -1.343 3.165 -10.093 233 H PHE 38 H PHE 38 1.067 4.694 -3.374 234 HA PHE 38 HA PHE 38 0.072 2.662 -1.687 235 2HB PHE 38 2HB PHE 38 -1.659 4.627 -1.293 236 HD1 PHE 38 HD1 PHE 38 2.017 5.034 -1.854 237 HD2 PHE 38 HD2 PHE 38 -1.250 5.416 0.827 238 HE1 PHE 38 HE1 PHE 38 3.590 5.770 -0.042 239 HE2 PHE 38 HE2 PHE 38 0.323 6.151 2.639 240 HZ PHE 38 HZ PHE 38 2.724 6.320 2.184 241 H ASN 39 H ASN 39 -2.544 4.587 -2.776 242 HA ASN 39 HA ASN 39 -3.884 2.275 -3.690 243 2HB ASN 39 2HB ASN 39 -5.173 4.851 -4.350 244 1HD2 ASN 39 2HD2 ASN 39 -6.764 4.854 -1.994 245 2HD2 ASN 39 1HD2 ASN 39 -7.760 3.436 -1.989 246 H LYS 40 H LYS 40 -5.510 3.587 -5.793 247 HA LYS 40 HA LYS 40 -3.513 3.566 -7.931 248 2HB LYS 40 2HB LYS 40 -6.370 3.409 -8.646 249 2HG LYS 40 2HG LYS 40 -3.812 2.640 -9.672 250 2HD LYS 40 2HD LYS 40 -4.976 0.201 -10.285 251 2HE LYS 40 2HE LYS 40 -3.005 0.800 -8.026 252 1HZ LYS 40 1HZ LYS 40 -4.112 -1.537 -8.578 253 2HZ LYS 40 2HZ LYS 40 -2.833 -1.593 -9.592 254 3HZ LYS 40 3HZ LYS 40 -2.597 -1.376 -7.991 255 HA PRO 41 HA PRO 41 -4.352 7.883 -8.004 256 2HB PRO 41 2HB PRO 41 -2.150 8.464 -7.661 257 2HG PRO 41 2HG PRO 41 -0.646 6.737 -7.931 258 2HD PRO 41 2HD PRO 41 -2.017 4.935 -7.532 259 H THR 42 H THR 42 -4.572 5.569 -10.288 260 HA THR 42 HA THR 42 -6.106 7.298 -11.974 261 HB THR 42 HB THR 42 -3.479 6.104 -13.008 262 HG1 THR 42 HG1 THR 42 -2.843 8.114 -12.337 263 1HG2 THR 42 1HG2 THR 42 -5.799 7.575 -14.326 264 2HG2 THR 42 2HG2 THR 42 -4.147 7.711 -14.974 265 3HG2 THR 42 3HG2 THR 42 -4.946 6.122 -14.899 266 H GLY 43 H GLY 43 -6.678 5.881 -14.101 267 1HA GLY 43 1HA GLY 43 -8.401 3.969 -13.462 268 2HA GLY 43 2HA GLY 43 -7.451 3.904 -14.933 269 H TYR 44 H TYR 44 -8.439 1.613 -13.401 270 HA TYR 44 HA TYR 44 -6.177 0.566 -11.961 271 2HB TYR 44 2HB TYR 44 -8.319 -1.276 -12.876 272 HD1 TYR 44 HD1 TYR 44 -6.546 -2.496 -11.384 273 HD2 TYR 44 HD2 TYR 44 -9.307 0.422 -9.911 274 HE1 TYR 44 HE1 TYR 44 -6.247 -3.394 -9.024 275 HE2 TYR 44 HE2 TYR 44 -8.999 -0.487 -7.556 276 HH TYR 44 HH TYR 44 -7.402 -3.455 -6.964 277 H GLY 45 H GLY 45 -5.259 1.249 -14.491 278 1HA GLY 45 1HA GLY 45 -5.425 -0.383 -16.609 279 2HA GLY 45 2HA GLY 45 -3.909 0.284 -16.036 280 H SER 46 H SER 46 -4.152 -1.244 -13.398 281 HA SER 46 HA SER 46 -3.098 -3.708 -14.480 282 2HB SER 46 2HB SER 46 -3.045 -2.750 -11.588 283 HG SER 46 HG SER 46 -1.896 -4.878 -13.043 284 H SER 47 H SER 47 -5.347 -4.448 -15.062 285 HA SER 47 HA SER 47 -7.221 -4.828 -13.006 286 2HB SER 47 2HB SER 47 -8.169 -4.696 -15.150 287 HG SER 47 HG SER 47 -7.415 -6.064 -16.930 288 H SER 48 H SER 48 -5.565 -5.862 -11.469 289 HA SER 48 HA SER 48 -5.603 -8.734 -11.949 290 2HB SER 48 2HB SER 48 -3.365 -8.957 -10.996 291 HG SER 48 HG SER 48 -3.218 -6.727 -12.826 292 H ARG 49 H ARG 49 -5.108 -9.926 -9.720 293 HA ARG 49 HA ARG 49 -7.093 -9.629 -8.055 294 2HB ARG 49 2HB ARG 49 -5.552 -10.545 -6.216 295 2HG ARG 49 2HG ARG 49 -4.724 -12.518 -7.745 296 2HD ARG 49 2HD ARG 49 -6.977 -12.257 -6.394 297 HE ARG 49 HE ARG 49 -8.575 -11.178 -7.717 298 1HH1 ARG 49 1HH1 ARG 49 -6.762 -13.427 -9.726 299 2HH1 ARG 49 2HH1 ARG 49 -7.767 -13.195 -11.116 300 1HH2 ARG 49 1HH2 ARG 49 -9.903 -10.872 -9.551 301 2HH2 ARG 49 2HH2 ARG 49 -9.566 -11.732 -11.016 302 H ARG 50 H ARG 50 -7.926 -7.773 -7.130 303 HA ARG 50 HA ARG 50 -6.844 -5.434 -6.798 304 2HB ARG 50 2HB ARG 50 -9.167 -5.940 -6.139 305 2HG ARG 50 2HG ARG 50 -8.141 -6.999 -3.486 306 2HD ARG 50 2HD ARG 50 -10.741 -7.467 -5.026 307 HE ARG 50 HE ARG 50 -9.686 -8.798 -2.765 308 1HH1 ARG 50 1HH1 ARG 50 -12.605 -7.024 -3.608 309 2HH1 ARG 50 2HH1 ARG 50 -13.608 -7.894 -2.496 310 1HH2 ARG 50 1HH2 ARG 50 -11.009 -9.946 -1.298 311 2HH2 ARG 50 2HH2 ARG 50 -12.694 -9.568 -1.173 312 H ALA 51 H ALA 51 -4.858 -4.810 -6.000 313 HA ALA 51 HA ALA 51 -3.875 -6.211 -3.616 314 1HB ALA 51 1HB ALA 51 -2.427 -4.615 -5.770 315 2HB ALA 51 2HB ALA 51 -1.652 -5.388 -4.366 316 3HB ALA 51 3HB ALA 51 -2.449 -6.386 -5.605 317 H CYS 52 H CYS 52 -4.393 -2.981 -5.147 318 HA CYS 52 HA CYS 52 -3.525 -1.596 -2.826 319 2HB CYS 52 2HB CYS 52 -3.263 -0.482 -4.919 320 HG CYS 52 HG CYS 52 -4.620 -1.379 -6.707 321 H GLN 53 H GLN 53 -6.198 -3.526 -3.497 322 HA GLN 53 HA GLN 53 -8.425 -2.264 -2.839 323 2HB GLN 53 2HB GLN 53 -7.662 -4.895 -2.999 324 2HG GLN 53 2HG GLN 53 -7.079 -4.703 -0.469 325 1HE2 GLN 53 2HE2 GLN 53 -8.296 -5.617 1.531 326 2HE2 GLN 53 1HE2 GLN 53 -9.722 -4.755 2.004 327 H THR 54 H THR 54 -5.697 -2.959 -0.656 328 HA THR 54 HA THR 54 -7.210 -2.034 1.653 329 HB THR 54 HB THR 54 -4.575 -3.420 1.107 330 HG1 THR 54 HG1 THR 54 -5.895 -4.926 2.048 331 1HG2 THR 54 1HG2 THR 54 -5.284 -1.709 3.519 332 2HG2 THR 54 2HG2 THR 54 -4.354 -3.211 3.739 333 3HG2 THR 54 3HG2 THR 54 -3.706 -1.904 2.720 334 H GLY 55 H GLY 55 -6.924 -0.136 -0.493 335 1HA GLY 55 1HA GLY 55 -5.149 1.668 -0.784 336 2HA GLY 55 2HA GLY 55 -6.715 2.177 -0.182 337 H ILE 56 H ILE 56 -3.325 1.510 0.653 338 HA ILE 56 HA ILE 56 -3.464 1.764 3.401 339 HB ILE 56 HB ILE 56 -1.494 1.567 1.391 340 2HG1 ILE 56 2HG1 ILE 56 -1.404 1.390 4.413 341 1HG2 ILE 56 1HG2 ILE 56 -1.437 4.170 2.162 342 2HG2 ILE 56 2HG2 ILE 56 -0.329 3.443 3.351 343 3HG2 ILE 56 3HG2 ILE 56 -0.018 3.248 1.610 344 1HD1 ILE 56 1HD1 ILE 56 -2.057 -0.445 2.140 345 2HD1 ILE 56 2HD1 ILE 56 -1.044 -1.121 3.438 346 3HD1 ILE 56 3HD1 ILE 56 -2.651 -0.456 3.818 347 H VAL 57 H VAL 57 -4.526 3.967 1.102 348 HA VAL 57 HA VAL 57 -3.932 6.238 2.868 349 HB VAL 57 HB VAL 57 -5.023 7.087 0.398 350 1HG1 VAL 57 1HG1 VAL 57 -2.287 7.223 1.682 351 2HG1 VAL 57 2HG1 VAL 57 -2.649 8.007 0.125 352 3HG1 VAL 57 3HG1 VAL 57 -3.540 8.484 1.591 353 1HG2 VAL 57 1HG2 VAL 57 -2.966 4.890 0.121 354 2HG2 VAL 57 2HG2 VAL 57 -4.504 5.101 -0.749 355 3HG2 VAL 57 3HG2 VAL 57 -3.131 6.179 -1.095 356 H ASP 58 H ASP 58 -6.488 4.579 0.919 357 HA ASP 58 HA ASP 58 -8.474 6.203 2.206 358 2HB ASP 58 2HB ASP 58 -9.047 3.801 0.446 359 H GLU 59 H GLU 59 -7.080 2.909 2.233 360 HA GLU 59 HA GLU 59 -9.154 1.921 3.946 361 2HB GLU 59 2HB GLU 59 -6.566 0.644 2.957 362 2HG GLU 59 2HG GLU 59 -8.238 -0.167 5.092 363 H CYS 60 H CYS 60 -6.032 3.482 4.198 364 HA CYS 60 HA CYS 60 -5.463 2.461 6.807 365 2HB CYS 60 2HB CYS 60 -4.215 4.816 5.381 366 H CYS 61 H CYS 61 -6.539 5.601 5.325 367 HA CYS 61 HA CYS 61 -6.832 6.963 7.725 368 2HB CYS 61 2HB CYS 61 -8.765 7.939 5.901 369 H PHE 62 H PHE 62 -8.896 4.669 5.921 370 HA PHE 62 HA PHE 62 -11.157 5.174 7.639 371 2HB PHE 62 2HB PHE 62 -10.472 3.152 5.423 372 HD1 PHE 62 HD1 PHE 62 -13.400 4.691 7.174 373 HD2 PHE 62 HD2 PHE 62 -11.805 1.297 5.188 374 HE1 PHE 62 HE1 PHE 62 -15.535 3.441 7.595 375 HE2 PHE 62 HE2 PHE 62 -13.940 0.048 5.608 376 HZ PHE 62 HZ PHE 62 -15.780 1.134 6.806 377 H ARG 63 H ARG 63 -8.703 2.589 7.045 378 HA ARG 63 HA ARG 63 -9.737 1.285 9.429 379 2HB ARG 63 2HB ARG 63 -7.737 -0.177 7.772 380 2HG ARG 63 2HG ARG 63 -10.146 -0.697 9.402 381 2HD ARG 63 2HD ARG 63 -10.151 -1.556 6.607 382 HE ARG 63 HE ARG 63 -10.560 -3.907 8.337 383 1HH1 ARG 63 1HH1 ARG 63 -8.377 -2.223 6.151 384 2HH1 ARG 63 2HH1 ARG 63 -7.444 -3.637 5.788 385 1HH2 ARG 63 2HH2 ARG 63 -9.330 -5.774 7.859 386 2HH2 ARG 63 1HH2 ARG 63 -7.991 -5.671 6.765 387 H SER 64 H SER 64 -8.581 2.368 11.080 388 HA SER 64 HA SER 64 -6.295 3.520 11.195 389 2HB SER 64 2HB SER 64 -6.156 1.618 13.368 390 HG SER 64 HG SER 64 -7.520 3.838 14.081 391 H CYS 65 H CYS 65 -4.571 3.021 9.825 392 HA CYS 65 HA CYS 65 -3.368 0.384 10.264 393 2HB CYS 65 2HB CYS 65 -4.471 1.124 7.922 394 H ASP 66 H ASP 66 -1.787 0.986 11.774 395 HA ASP 66 HA ASP 66 -0.550 3.424 11.853 396 2HB ASP 66 2HB ASP 66 1.132 2.315 13.278 397 H LEU 67 H LEU 67 2.194 1.594 11.909 398 HA LEU 67 HA LEU 67 2.940 2.421 9.225 399 2HB LEU 67 2HB LEU 67 5.201 1.434 10.322 400 HG LEU 67 HG LEU 67 4.325 3.969 9.712 401 1HD1 LEU 67 1HD1 LEU 67 4.472 3.706 12.662 402 2HD1 LEU 67 2HD1 LEU 67 5.285 5.120 11.950 403 3HD1 LEU 67 3HD1 LEU 67 3.553 4.842 11.646 404 1HD2 LEU 67 1HD2 LEU 67 6.719 2.622 9.933 405 2HD2 LEU 67 2HD2 LEU 67 6.507 4.301 9.380 406 3HD2 LEU 67 3HD2 LEU 67 6.911 3.968 11.082 407 H ARG 68 H ARG 68 2.298 -0.469 11.190 408 HA ARG 68 HA ARG 68 3.571 -2.406 9.941 409 2HB ARG 68 2HB ARG 68 0.698 -3.083 10.161 410 2HG ARG 68 2HG ARG 68 1.797 -4.423 12.164 411 2HD ARG 68 2HD ARG 68 2.754 -5.002 9.322 412 HE ARG 68 HE ARG 68 1.896 -7.205 10.996 413 1HH1 ARG 68 1HH1 ARG 68 4.603 -5.035 10.410 414 2HH1 ARG 68 2HH1 ARG 68 5.788 -6.140 11.021 415 1HH2 ARG 68 1HH2 ARG 68 3.459 -8.665 11.802 416 2HH2 ARG 68 2HH2 ARG 68 5.132 -8.220 11.818 417 H ARG 69 H ARG 69 0.815 -0.520 8.648 418 HA ARG 69 HA ARG 69 0.318 -2.203 6.483 419 2HB ARG 69 2HB ARG 69 -0.345 0.532 5.821 420 2HG ARG 69 2HG ARG 69 -1.735 -1.446 5.269 421 2HD ARG 69 2HD ARG 69 -3.168 -1.908 7.662 422 HE ARG 69 HE ARG 69 -1.364 -3.484 5.945 423 1HH1 ARG 69 1HH1 ARG 69 -3.548 -3.511 8.703 424 2HH1 ARG 69 2HH1 ARG 69 -3.831 -5.217 8.626 425 1HH2 ARG 69 1HH2 ARG 69 -1.736 -5.737 5.842 426 2HH2 ARG 69 2HH2 ARG 69 -2.793 -6.492 6.987 427 H LEU 70 H LEU 70 2.234 0.855 6.880 428 HA LEU 70 HA LEU 70 2.984 1.299 4.311 429 2HB LEU 70 2HB LEU 70 3.557 2.386 6.699 430 HG LEU 70 HG LEU 70 5.476 0.623 6.934 431 1HD1 LEU 70 1HD1 LEU 70 6.194 1.583 4.467 432 2HD1 LEU 70 2HD1 LEU 70 7.273 2.490 5.555 433 3HD1 LEU 70 3HD1 LEU 70 7.262 0.710 5.591 434 1HD2 LEU 70 1HD2 LEU 70 5.675 3.594 7.397 435 2HD2 LEU 70 2HD2 LEU 70 5.314 2.294 8.559 436 3HD2 LEU 70 3HD2 LEU 70 6.962 2.477 7.913 437 H GLU 71 H GLU 71 4.179 -1.201 6.577 438 HA GLU 71 HA GLU 71 6.263 -1.970 4.808 439 2HB GLU 71 2HB GLU 71 5.814 -2.307 7.490 440 2HG GLU 71 2HG GLU 71 4.118 -4.177 6.715 441 H MET 72 H MET 72 2.865 -2.814 5.357 442 HA MET 72 HA MET 72 2.929 -5.311 4.121 443 2HB MET 72 2HB MET 72 0.358 -4.285 3.687 444 2HG MET 72 2HG MET 72 0.056 -5.093 6.225 445 1HE MET 72 1HE MET 72 1.678 -7.935 6.074 446 2HE MET 72 2HE MET 72 1.090 -9.018 4.790 447 3HE MET 72 3HE MET 72 2.351 -7.815 4.430 448 H TYR 73 H TYR 73 1.785 -2.087 2.866 449 HA TYR 73 HA TYR 73 1.552 -3.075 0.210 450 2HB TYR 73 2HB TYR 73 1.728 -0.263 0.177 451 HD1 TYR 73 HD1 TYR 73 -0.362 -3.167 1.042 452 HD2 TYR 73 HD2 TYR 73 -0.366 0.896 -0.299 453 HE1 TYR 73 HE1 TYR 73 -2.795 -3.395 0.336 454 HE2 TYR 73 HE2 TYR 73 -2.799 0.655 -1.000 455 HH TYR 73 HH TYR 73 -4.566 -0.605 -0.954 456 H CYS 74 H CYS 74 4.140 -1.655 2.157 457 HA CYS 74 HA CYS 74 5.731 -0.403 0.447 458 2HB CYS 74 2HB CYS 74 7.431 -2.247 1.786 459 H ALA 75 H ALA 75 4.421 -1.940 -1.388 460 HA ALA 75 HA ALA 75 5.665 -4.358 -2.064 461 1HB ALA 75 1HB ALA 75 3.589 -2.605 -3.048 462 2HB ALA 75 2HB ALA 75 4.628 -3.113 -4.400 463 3HB ALA 75 3HB ALA 75 3.840 -4.337 -3.374 464 HA PRO 76 HA PRO 76 9.245 -3.040 -4.098 465 2HB PRO 76 2HB PRO 76 10.013 -5.196 -4.348 466 2HG PRO 76 2HG PRO 76 8.366 -6.812 -4.338 467 2HD PRO 76 2HD PRO 76 6.722 -5.711 -3.168 468 H LEU 77 H LEU 77 7.251 -4.231 -6.766 469 HA LEU 77 HA LEU 77 8.104 -2.675 -8.733 470 2HB LEU 77 2HB LEU 77 5.146 -2.868 -8.321 471 HG LEU 77 HG LEU 77 5.249 -3.830 -10.640 472 1HD1 LEU 77 1HD1 LEU 77 4.746 -1.401 -10.011 473 2HD1 LEU 77 2HD1 LEU 77 6.394 -1.041 -10.579 474 3HD1 LEU 77 3HD1 LEU 77 5.201 -1.739 -11.699 475 1HD2 LEU 77 1HD2 LEU 77 7.693 -4.450 -10.472 476 2HD2 LEU 77 2HD2 LEU 77 7.194 -3.651 -11.982 477 3HD2 LEU 77 3HD2 LEU 77 8.063 -2.728 -10.732 478 H LYS 78 H LYS 78 8.922 -0.638 -8.362 479 HA LYS 78 HA LYS 78 7.417 1.247 -6.815 480 2HB LYS 78 2HB LYS 78 9.643 2.298 -8.401 481 2HG LYS 78 2HG LYS 78 10.371 2.407 -5.767 482 2HD LYS 78 2HD LYS 78 9.454 4.205 -7.657 483 2HE LYS 78 2HE LYS 78 7.796 5.174 -5.460 484 1HZ LYS 78 1HZ LYS 78 7.928 5.561 -8.039 485 2HZ LYS 78 2HZ LYS 78 6.717 4.466 -8.040 486 3HZ LYS 78 3HZ LYS 78 6.563 5.852 -7.192 487 HA PRO 79 HA PRO 79 6.758 3.041 -11.133 488 2HB PRO 79 2HB PRO 79 8.521 2.904 -12.607 489 2HG PRO 79 2HG PRO 79 10.040 1.233 -12.141 490 2HD PRO 79 2HD PRO 79 9.678 0.971 -9.886 491 H ALA 80 H ALA 80 4.618 2.782 -10.563 492 HA ALA 80 HA ALA 80 3.376 0.285 -11.215 493 1HB ALA 80 1HB ALA 80 2.901 2.346 -9.432 494 2HB ALA 80 2HB ALA 80 1.649 2.611 -10.669 495 3HB ALA 80 3HB ALA 80 1.754 1.045 -9.831 496 H LYS 81 H LYS 81 3.523 3.625 -12.559 497 HA LYS 81 HA LYS 81 3.187 2.790 -15.173 498 2HB LYS 81 2HB LYS 81 0.614 4.091 -14.457 499 2HG LYS 81 2HG LYS 81 1.315 3.411 -16.796 500 2HD LYS 81 2HD LYS 81 0.667 0.563 -16.209 501 2HE LYS 81 2HE LYS 81 1.252 1.286 -18.484 502 1HZ LYS 81 1HZ LYS 81 3.162 2.796 -17.124 503 2HZ LYS 81 2HZ LYS 81 3.933 1.836 -18.197 504 3HZ LYS 81 3HZ LYS 81 2.760 2.852 -18.707 505 H SER 82 H SER 82 4.831 4.518 -13.580 506 HA SER 82 HA SER 82 4.470 7.016 -13.258 507 2HB SER 82 2HB SER 82 6.638 6.206 -15.234 508 HG SER 82 HG SER 82 6.543 8.072 -13.017 509 H ALA 83 H ALA 83 3.176 8.542 -14.214 510 HA ALA 83 HA ALA 83 2.845 8.401 -17.118 511 1HB ALA 83 1HB ALA 83 1.251 9.757 -14.907 512 2HB ALA 83 2HB ALA 83 0.878 9.889 -16.642 513 3HB ALA 83 3HB ALA 83 0.788 8.308 -15.830 Start of MODEL 13 1 H MET 1 H MET 1 -4.097 10.284 -8.879 2 HA MET 1 HA MET 1 -6.933 10.631 -9.390 3 2HB MET 1 2HB MET 1 -4.867 12.550 -8.175 4 2HG MET 1 2HG MET 1 -7.729 12.788 -8.854 5 1HE MET 1 1HE MET 1 -9.358 14.496 -7.541 6 2HE MET 1 2HE MET 1 -9.807 12.775 -7.465 7 3HE MET 1 3HE MET 1 -9.916 13.789 -6.006 8 H PHE 2 H PHE 2 -3.848 11.047 -10.864 9 HA PHE 2 HA PHE 2 -3.156 12.053 -12.699 10 2HB PHE 2 2HB PHE 2 -5.639 12.863 -13.933 11 HD1 PHE 2 HD1 PHE 2 -3.665 9.752 -13.311 12 HD2 PHE 2 HD2 PHE 2 -5.491 12.306 -16.166 13 HE1 PHE 2 HE1 PHE 2 -2.726 8.348 -15.168 14 HE2 PHE 2 HE2 PHE 2 -4.553 10.902 -18.022 15 HZ PHE 2 HZ PHE 2 -3.182 8.939 -17.502 16 HA PRO 3 HA PRO 3 -3.444 16.377 -12.447 17 2HB PRO 3 2HB PRO 3 -1.939 16.752 -14.149 18 2HG PRO 3 2HG PRO 3 -1.843 15.080 -15.735 19 2HD PRO 3 2HD PRO 3 -2.612 13.301 -14.498 20 H ALA 4 H ALA 4 -5.633 15.459 -15.063 21 HA ALA 4 HA ALA 4 -7.317 17.338 -15.397 22 1HB ALA 4 1HB ALA 4 -7.572 14.500 -15.112 23 2HB ALA 4 2HB ALA 4 -9.010 15.254 -14.384 24 3HB ALA 4 3HB ALA 4 -8.578 15.610 -16.074 25 H MET 5 H MET 5 -7.697 15.413 -12.328 26 HA MET 5 HA MET 5 -9.022 17.733 -11.212 27 2HB MET 5 2HB MET 5 -9.089 15.701 -9.291 28 2HG MET 5 2HG MET 5 -11.173 15.309 -11.327 29 1HE MET 5 1HE MET 5 -12.462 17.906 -9.963 30 2HE MET 5 2HE MET 5 -13.451 17.366 -8.585 31 3HE MET 5 3HE MET 5 -11.856 18.101 -8.301 32 HA PRO 6 HA PRO 6 -5.738 18.651 -8.528 33 2HB PRO 6 2HB PRO 6 -6.777 20.546 -7.733 34 2HG PRO 6 2HG PRO 6 -9.077 20.524 -7.898 35 2HD PRO 6 2HD PRO 6 -9.349 19.025 -9.619 36 H LEU 7 H LEU 7 -4.956 18.482 -6.053 37 HA LEU 7 HA LEU 7 -5.571 15.705 -5.320 38 2HB LEU 7 2HB LEU 7 -3.040 15.908 -4.488 39 HG LEU 7 HG LEU 7 -2.242 14.761 -6.454 40 1HD1 LEU 7 1HD1 LEU 7 -3.761 13.589 -4.827 41 2HD1 LEU 7 2HD1 LEU 7 -5.090 13.853 -5.981 42 3HD1 LEU 7 3HD1 LEU 7 -3.685 12.868 -6.454 43 1HD2 LEU 7 1HD2 LEU 7 -4.026 16.410 -7.852 44 2HD2 LEU 7 2HD2 LEU 7 -2.953 15.156 -8.520 45 3HD2 LEU 7 3HD2 LEU 7 -4.632 14.752 -8.084 46 H SER 8 H SER 8 -7.219 16.904 -3.978 47 HA SER 8 HA SER 8 -6.115 17.242 -1.397 48 2HB SER 8 2HB SER 8 -5.681 19.489 -1.792 49 HG SER 8 HG SER 8 -6.432 20.526 -3.510 50 H SER 9 H SER 9 -7.771 15.276 -2.063 51 HA SER 9 HA SER 9 -10.191 16.023 -0.733 52 2HB SER 9 2HB SER 9 -10.859 14.428 -3.113 53 HG SER 9 HG SER 9 -12.095 16.069 -1.466 54 H LEU 10 H LEU 10 -9.186 14.598 0.878 55 HA LEU 10 HA LEU 10 -9.337 12.623 1.933 56 2HB LEU 10 2HB LEU 10 -9.727 10.938 -0.463 57 HG LEU 10 HG LEU 10 -10.484 10.884 2.338 58 1HD1 LEU 10 1HD1 LEU 10 -12.638 11.731 1.313 59 2HD1 LEU 10 2HD1 LEU 10 -12.730 10.184 0.440 60 3HD1 LEU 10 3HD1 LEU 10 -12.748 10.202 2.219 61 1HD2 LEU 10 1HD2 LEU 10 -9.252 9.146 0.974 62 2HD2 LEU 10 2HD2 LEU 10 -10.580 8.542 1.996 63 3HD2 LEU 10 3HD2 LEU 10 -10.821 8.731 0.242 64 H PHE 11 H PHE 11 -7.099 13.970 0.246 65 HA PHE 11 HA PHE 11 -5.115 12.081 0.962 66 2HB PHE 11 2HB PHE 11 -5.616 12.738 -2.003 67 HD1 PHE 11 HD1 PHE 11 -4.301 9.629 -0.550 68 HD2 PHE 11 HD2 PHE 11 -3.336 13.229 -2.581 69 HE1 PHE 11 HE1 PHE 11 -2.014 8.728 -1.062 70 HE2 PHE 11 HE2 PHE 11 -1.050 12.327 -3.093 71 HZ PHE 11 HZ PHE 11 -0.417 10.088 -2.327 72 H VAL 12 H VAL 12 -5.948 14.939 1.364 73 HA VAL 12 HA VAL 12 -4.305 16.646 -0.108 74 HB VAL 12 HB VAL 12 -6.289 17.180 1.361 75 1HG1 VAL 12 1HG1 VAL 12 -5.163 15.889 3.344 76 2HG1 VAL 12 2HG1 VAL 12 -4.348 17.443 3.643 77 3HG1 VAL 12 3HG1 VAL 12 -6.125 17.351 3.668 78 1HG2 VAL 12 1HG2 VAL 12 -3.716 18.738 1.345 79 2HG2 VAL 12 2HG2 VAL 12 -5.242 19.056 0.485 80 3HG2 VAL 12 3HG2 VAL 12 -5.128 19.358 2.235 81 H ASN 13 H ASN 13 -2.222 15.714 -0.357 82 HA ASN 13 HA ASN 13 -0.726 14.657 1.655 83 2HB ASN 13 2HB ASN 13 0.105 14.392 -0.569 84 1HD2 ASN 13 2HD2 ASN 13 1.869 17.050 -1.076 85 2HD2 ASN 13 1HD2 ASN 13 0.905 17.914 -2.225 86 H GLY 14 H GLY 14 -1.703 17.954 1.055 87 1HA GLY 14 1HA GLY 14 0.416 19.458 2.033 88 2HA GLY 14 2HA GLY 14 -1.279 19.899 2.096 89 HA PRO 15 HA PRO 15 -0.959 19.447 6.408 90 2HB PRO 15 2HB PRO 15 -2.534 21.087 6.764 91 2HG PRO 15 2HG PRO 15 -3.898 21.521 4.955 92 2HD PRO 15 2HD PRO 15 -2.547 20.796 3.242 93 H ARG 16 H ARG 16 -1.062 17.975 8.104 94 HA ARG 16 HA ARG 16 -2.041 15.439 7.124 95 2HB ARG 16 2HB ARG 16 -0.807 14.756 9.434 96 2HG ARG 16 2HG ARG 16 -0.038 14.933 6.660 97 2HD ARG 16 2HD ARG 16 2.548 14.877 7.370 98 HE ARG 16 HE ARG 16 1.074 16.700 5.968 99 1HH1 ARG 16 1HH1 ARG 16 3.533 17.111 8.452 100 2HH1 ARG 16 2HH1 ARG 16 4.073 18.641 7.846 101 1HH2 ARG 16 2HH2 ARG 16 1.786 18.719 5.168 102 2HH2 ARG 16 1HH2 ARG 16 3.073 19.562 5.964 103 H THR 17 H THR 17 -3.911 17.541 8.031 104 HA THR 17 HA THR 17 -4.842 16.458 10.594 105 HB THR 17 HB THR 17 -4.444 18.936 10.363 106 HG1 THR 17 HG1 THR 17 -6.137 18.671 11.779 107 1HG2 THR 17 1HG2 THR 17 -5.371 18.829 7.837 108 2HG2 THR 17 2HG2 THR 17 -6.934 19.075 8.653 109 3HG2 THR 17 3HG2 THR 17 -5.633 20.275 8.842 110 H LEU 18 H LEU 18 -5.756 16.946 7.165 111 HA LEU 18 HA LEU 18 -8.412 16.157 7.422 112 2HB LEU 18 2HB LEU 18 -8.097 15.541 4.961 113 HG LEU 18 HG LEU 18 -8.069 17.747 4.166 114 1HD1 LEU 18 1HD1 LEU 18 -9.871 17.115 5.893 115 2HD1 LEU 18 2HD1 LEU 18 -9.008 18.220 6.990 116 3HD1 LEU 18 3HD1 LEU 18 -9.681 18.831 5.458 117 1HD2 LEU 18 1HD2 LEU 18 -5.822 18.132 5.605 118 2HD2 LEU 18 2HD2 LEU 18 -6.763 19.450 4.866 119 3HD2 LEU 18 3HD2 LEU 18 -6.979 19.061 6.589 120 H CYS 19 H CYS 19 -6.958 13.982 5.211 121 HA CYS 19 HA CYS 19 -7.731 11.791 6.927 122 2HB CYS 19 2HB CYS 19 -6.641 10.996 4.373 123 H GLY 20 H GLY 20 -5.246 13.615 7.278 124 1HA GLY 20 1HA GLY 20 -3.099 13.390 7.900 125 2HA GLY 20 2HA GLY 20 -3.464 11.711 8.238 126 H ALA 21 H ALA 21 -1.156 13.344 6.811 127 HA ALA 21 HA ALA 21 -1.181 12.007 4.229 128 1HB ALA 21 1HB ALA 21 -0.493 14.480 4.760 129 2HB ALA 21 2HB ALA 21 1.038 13.752 5.303 130 3HB ALA 21 3HB ALA 21 0.492 13.529 3.623 131 H GLU 22 H GLU 22 -0.312 11.339 7.442 132 HA GLU 22 HA GLU 22 2.144 10.277 7.377 133 2HB GLU 22 2HB GLU 22 0.047 8.595 8.701 134 2HG GLU 22 2HG GLU 22 2.684 9.909 9.453 135 H LEU 23 H LEU 23 -0.846 8.271 6.817 136 HA LEU 23 HA LEU 23 0.039 5.947 6.102 137 2HB LEU 23 2HB LEU 23 -2.107 5.915 5.579 138 HG LEU 23 HG LEU 23 -3.359 7.811 4.466 139 1HD1 LEU 23 1HD1 LEU 23 -2.550 7.444 7.158 140 2HD1 LEU 23 2HD1 LEU 23 -2.534 9.195 6.834 141 3HD1 LEU 23 3HD1 LEU 23 -4.012 8.248 6.538 142 1HD2 LEU 23 1HD2 LEU 23 -1.031 8.808 3.699 143 2HD2 LEU 23 2HD2 LEU 23 -2.431 9.854 4.038 144 3HD2 LEU 23 3HD2 LEU 23 -1.149 9.660 5.257 145 H VAL 24 H VAL 24 0.636 8.910 4.181 146 HA VAL 24 HA VAL 24 2.037 7.378 2.166 147 HB VAL 24 HB VAL 24 1.650 10.358 2.511 148 1HG1 VAL 24 1HG1 VAL 24 3.306 8.848 0.731 149 2HG1 VAL 24 2HG1 VAL 24 1.984 9.579 -0.212 150 3HG1 VAL 24 3HG1 VAL 24 3.040 10.607 0.787 151 1HG2 VAL 24 1HG2 VAL 24 -0.109 8.221 1.474 152 2HG2 VAL 24 2HG2 VAL 24 -0.506 9.847 2.079 153 3HG2 VAL 24 3HG2 VAL 24 0.067 9.635 0.407 154 H ASP 25 H ASP 25 2.802 10.055 4.509 155 HA ASP 25 HA ASP 25 5.517 9.963 4.066 156 2HB ASP 25 2HB ASP 25 4.702 10.583 6.851 157 H ALA 26 H ALA 26 3.308 7.951 5.972 158 HA ALA 26 HA ALA 26 5.224 6.878 7.753 159 1HB ALA 26 1HB ALA 26 2.395 6.434 6.975 160 2HB ALA 26 2HB ALA 26 3.243 4.997 7.595 161 3HB ALA 26 3HB ALA 26 3.147 6.472 8.588 162 H LEU 27 H LEU 27 3.579 5.441 4.839 163 HA LEU 27 HA LEU 27 5.467 3.316 4.738 164 2HB LEU 27 2HB LEU 27 2.957 3.556 3.924 165 HG LEU 27 HG LEU 27 2.884 3.425 1.445 166 1HD1 LEU 27 1HD1 LEU 27 3.220 5.869 3.037 167 2HD1 LEU 27 2HD1 LEU 27 3.473 6.098 1.290 168 3HD1 LEU 27 3HD1 LEU 27 1.945 5.406 1.884 169 1HD2 LEU 27 1HD2 LEU 27 5.577 3.277 1.496 170 2HD2 LEU 27 2HD2 LEU 27 4.638 3.783 0.071 171 3HD2 LEU 27 3HD2 LEU 27 5.369 5.007 1.136 172 H GLN 28 H GLN 28 5.193 6.574 3.370 173 HA GLN 28 HA GLN 28 7.102 6.106 1.343 174 2HB GLN 28 2HB GLN 28 6.245 8.773 2.545 175 2HG GLN 28 2HG GLN 28 6.632 8.674 -0.336 176 1HE2 GLN 28 2HE2 GLN 28 8.120 9.469 2.795 177 2HE2 GLN 28 1HE2 GLN 28 8.352 11.162 2.508 178 H PHE 29 H PHE 29 7.287 6.464 4.748 179 HA PHE 29 HA PHE 29 9.856 7.767 4.745 180 2HB PHE 29 2HB PHE 29 7.666 7.028 6.567 181 HD1 PHE 29 HD1 PHE 29 11.368 6.734 6.943 182 HD2 PHE 29 HD2 PHE 29 7.542 5.826 8.539 183 HE1 PHE 29 HE1 PHE 29 12.444 5.336 8.728 184 HE2 PHE 29 HE2 PHE 29 8.619 4.428 10.324 185 HZ PHE 29 HZ PHE 29 11.057 4.200 10.398 186 H VAL 30 H VAL 30 8.520 4.522 5.704 187 HA VAL 30 HA VAL 30 11.161 3.468 6.025 188 HB VAL 30 HB VAL 30 8.353 2.544 6.346 189 1HG1 VAL 30 1HG1 VAL 30 10.688 0.625 6.033 190 2HG1 VAL 30 2HG1 VAL 30 9.070 0.195 6.638 191 3HG1 VAL 30 3HG1 VAL 30 9.273 0.757 4.961 192 1HG2 VAL 30 1HG2 VAL 30 10.656 3.149 7.994 193 2HG2 VAL 30 2HG2 VAL 30 8.956 2.911 8.463 194 3HG2 VAL 30 3HG2 VAL 30 10.049 1.512 8.341 195 H CYS 31 H CYS 31 8.415 2.958 3.704 196 HA CYS 31 HA CYS 31 9.698 1.165 2.073 197 2HB CYS 31 2HB CYS 31 7.989 3.098 0.663 198 H GLY 32 H GLY 32 10.039 4.680 2.455 199 1HA GLY 32 1HA GLY 32 12.307 5.437 1.772 200 2HA GLY 32 2HA GLY 32 11.969 4.714 0.212 201 H ASP 33 H ASP 33 12.036 7.618 1.835 202 HA ASP 33 HA ASP 33 9.975 9.088 1.608 203 2HB ASP 33 2HB ASP 33 12.186 10.102 -0.160 204 H ARG 34 H ARG 34 11.600 7.552 -1.195 205 HA ARG 34 HA ARG 34 10.482 8.902 -3.249 206 2HB ARG 34 2HB ARG 34 12.143 7.209 -3.696 207 2HG ARG 34 2HG ARG 34 10.191 5.385 -2.261 208 2HD ARG 34 2HD ARG 34 11.629 4.707 -4.673 209 HE ARG 34 HE ARG 34 12.603 2.862 -2.609 210 1HH1 ARG 34 1HH1 ARG 34 13.363 5.696 -4.550 211 2HH1 ARG 34 2HH1 ARG 34 15.077 5.499 -4.399 212 1HH2 ARG 34 1HH2 ARG 34 14.863 2.600 -2.408 213 2HH2 ARG 34 2HH2 ARG 34 15.936 3.726 -3.172 214 H GLY 35 H GLY 35 8.886 7.023 -0.832 215 1HA GLY 35 1HA GLY 35 6.722 6.502 -0.507 216 2HA GLY 35 2HA GLY 35 6.312 7.537 -1.861 217 H PHE 36 H PHE 36 5.323 4.776 -1.005 218 HA PHE 36 HA PHE 36 6.140 3.257 -3.369 219 2HB PHE 36 2HB PHE 36 5.804 2.662 -0.620 220 HD1 PHE 36 HD1 PHE 36 3.529 1.369 -3.295 221 HD2 PHE 36 HD2 PHE 36 4.130 2.088 0.843 222 HE1 PHE 36 HE1 PHE 36 1.223 0.506 -2.811 223 HE2 PHE 36 HE2 PHE 36 1.824 1.226 1.328 224 HZ PHE 36 HZ PHE 36 0.397 0.445 -0.505 225 H TYR 37 H TYR 37 4.754 3.019 -5.064 226 HA TYR 37 HA TYR 37 2.416 4.436 -5.283 227 2HB TYR 37 2HB TYR 37 2.799 1.708 -6.587 228 HD1 TYR 37 HD1 TYR 37 2.904 5.368 -7.456 229 HD2 TYR 37 HD2 TYR 37 1.221 1.518 -8.265 230 HE1 TYR 37 HE1 TYR 37 1.501 6.367 -9.325 231 HE2 TYR 37 HE2 TYR 37 -0.177 2.530 -10.131 232 HH TYR 37 HH TYR 37 0.292 4.843 -11.680 233 H PHE 38 H PHE 38 0.708 4.300 -3.885 234 HA PHE 38 HA PHE 38 0.024 1.919 -2.559 235 2HB PHE 38 2HB PHE 38 -1.883 3.314 -1.812 236 HD1 PHE 38 HD1 PHE 38 1.273 3.262 -1.443 237 HD2 PHE 38 HD2 PHE 38 -1.633 6.334 -1.792 238 HE1 PHE 38 HE1 PHE 38 2.751 4.808 -0.130 239 HE2 PHE 38 HE2 PHE 38 -0.155 7.881 -0.478 240 HZ PHE 38 HZ PHE 38 2.019 7.099 0.337 241 H ASN 39 H ASN 39 -2.830 3.365 -3.815 242 HA ASN 39 HA ASN 39 -3.869 1.071 -4.764 243 2HB ASN 39 2HB ASN 39 -4.413 3.880 -5.859 244 1HD2 ASN 39 2HD2 ASN 39 -6.394 4.165 -6.819 245 2HD2 ASN 39 1HD2 ASN 39 -7.372 2.863 -7.411 246 H LYS 40 H LYS 40 -2.417 -0.131 -6.143 247 HA LYS 40 HA LYS 40 -0.904 0.885 -8.189 248 2HB LYS 40 2HB LYS 40 -1.990 -1.773 -7.437 249 2HG LYS 40 2HG LYS 40 -0.548 -2.406 -9.692 250 2HD LYS 40 2HD LYS 40 -3.516 -1.918 -9.991 251 2HE LYS 40 2HE LYS 40 -3.047 -4.551 -10.536 252 1HZ LYS 40 1HZ LYS 40 -3.157 -2.153 -12.049 253 2HZ LYS 40 2HZ LYS 40 -2.321 -3.326 -12.818 254 3HZ LYS 40 3HZ LYS 40 -3.859 -3.599 -12.342 255 HA PRO 41 HA PRO 41 -4.639 0.311 -11.027 256 2HB PRO 41 2HB PRO 41 -6.028 -1.473 -10.592 257 2HG PRO 41 2HG PRO 41 -5.935 -2.259 -8.425 258 2HD PRO 41 2HD PRO 41 -3.835 -1.547 -7.822 259 H THR 42 H THR 42 -3.643 2.565 -9.891 260 HA THR 42 HA THR 42 -5.297 4.350 -8.759 261 HB THR 42 HB THR 42 -3.710 5.268 -11.152 262 HG1 THR 42 HG1 THR 42 -1.781 4.590 -9.926 263 1HG2 THR 42 1HG2 THR 42 -4.523 6.338 -8.616 264 2HG2 THR 42 2HG2 THR 42 -2.761 6.101 -8.532 265 3HG2 THR 42 3HG2 THR 42 -3.463 7.107 -9.821 266 H GLY 43 H GLY 43 -6.586 6.185 -9.612 267 1HA GLY 43 1HA GLY 43 -8.875 5.507 -10.793 268 2HA GLY 43 2HA GLY 43 -8.144 7.085 -11.003 269 H TYR 44 H TYR 44 -9.321 4.361 -12.625 270 HA TYR 44 HA TYR 44 -8.255 5.339 -15.123 271 2HB TYR 44 2HB TYR 44 -8.023 2.371 -14.460 272 HD1 TYR 44 HD1 TYR 44 -5.334 4.744 -15.412 273 HD2 TYR 44 HD2 TYR 44 -8.056 1.735 -16.771 274 HE1 TYR 44 HE1 TYR 44 -4.099 4.618 -17.630 275 HE2 TYR 44 HE2 TYR 44 -6.810 1.619 -18.984 276 HH TYR 44 HH TYR 44 -4.970 2.196 -20.043 277 H GLY 45 H GLY 45 -9.798 5.185 -16.694 278 1HA GLY 45 1HA GLY 45 -12.388 4.639 -16.298 279 2HA GLY 45 2HA GLY 45 -11.586 4.379 -17.835 280 H SER 46 H SER 46 -10.245 2.196 -17.935 281 HA SER 46 HA SER 46 -12.140 0.172 -17.254 282 2HB SER 46 2HB SER 46 -9.430 -0.067 -18.635 283 HG SER 46 HG SER 46 -11.024 -1.879 -19.613 284 H SER 47 H SER 47 -11.742 0.659 -14.831 285 HA SER 47 HA SER 47 -10.038 -1.370 -13.854 286 2HB SER 47 2HB SER 47 -9.331 1.527 -13.211 287 HG SER 47 HG SER 47 -7.646 0.579 -11.924 288 H SER 48 H SER 48 -12.467 -1.741 -13.378 289 HA SER 48 HA SER 48 -13.207 -0.235 -10.995 290 2HB SER 48 2HB SER 48 -14.843 -1.558 -13.173 291 HG SER 48 HG SER 48 -16.686 -1.431 -11.895 292 H ARG 49 H ARG 49 -11.875 -1.619 -9.614 293 HA ARG 49 HA ARG 49 -13.308 -3.893 -8.769 294 2HB ARG 49 2HB ARG 49 -10.771 -5.088 -9.059 295 2HG ARG 49 2HG ARG 49 -13.503 -5.428 -10.125 296 2HD ARG 49 2HD ARG 49 -12.634 -7.130 -11.869 297 HE ARG 49 HE ARG 49 -12.009 -4.429 -12.869 298 1HH1 ARG 49 1HH1 ARG 49 -14.537 -6.735 -12.047 299 2HH1 ARG 49 2HH1 ARG 49 -15.737 -5.963 -13.027 300 1HH2 ARG 49 1HH2 ARG 49 -13.593 -3.410 -14.163 301 2HH2 ARG 49 2HH2 ARG 49 -15.197 -4.058 -14.240 302 H ARG 50 H ARG 50 -12.160 -4.916 -6.788 303 HA ARG 50 HA ARG 50 -11.662 -3.201 -4.893 304 2HB ARG 50 2HB ARG 50 -10.155 -4.971 -3.815 305 2HG ARG 50 2HG ARG 50 -12.017 -6.884 -4.502 306 2HD ARG 50 2HD ARG 50 -12.511 -4.466 -2.695 307 HE ARG 50 HE ARG 50 -14.023 -6.929 -3.121 308 1HH1 ARG 50 1HH1 ARG 50 -13.132 -4.501 -0.736 309 2HH1 ARG 50 2HH1 ARG 50 -14.515 -4.792 0.266 310 1HH2 ARG 50 1HH2 ARG 50 -15.847 -7.315 -1.801 311 2HH2 ARG 50 2HH2 ARG 50 -16.069 -6.404 -0.343 312 H ALA 51 H ALA 51 -10.473 -1.300 -5.287 313 HA ALA 51 HA ALA 51 -7.769 -1.598 -6.339 314 1HB ALA 51 1HB ALA 51 -9.730 0.159 -6.962 315 2HB ALA 51 2HB ALA 51 -8.925 1.070 -5.661 316 3HB ALA 51 3HB ALA 51 -7.999 0.553 -7.092 317 H CYS 52 H CYS 52 -5.949 -0.540 -5.230 318 HA CYS 52 HA CYS 52 -4.687 -0.586 -3.396 319 2HB CYS 52 2HB CYS 52 -4.971 1.684 -3.258 320 HG CYS 52 HG CYS 52 -7.359 1.550 -4.454 321 H GLN 53 H GLN 53 -5.444 -2.908 -2.982 322 HA GLN 53 HA GLN 53 -7.507 -3.641 -1.446 323 2HB GLN 53 2HB GLN 53 -6.383 -5.517 -2.098 324 2HG GLN 53 2HG GLN 53 -3.669 -5.387 -1.750 325 1HE2 GLN 53 2HE2 GLN 53 -4.513 -6.904 -3.341 326 2HE2 GLN 53 1HE2 GLN 53 -4.626 -6.433 -5.005 327 H THR 54 H THR 54 -4.177 -2.924 -0.150 328 HA THR 54 HA THR 54 -5.415 -2.483 2.474 329 HB THR 54 HB THR 54 -3.545 -4.182 2.185 330 HG1 THR 54 HG1 THR 54 -3.810 -3.121 4.227 331 1HG2 THR 54 1HG2 THR 54 -1.878 -1.654 1.722 332 2HG2 THR 54 2HG2 THR 54 -1.246 -3.304 1.934 333 3HG2 THR 54 3HG2 THR 54 -2.190 -2.893 0.483 334 H GLY 55 H GLY 55 -5.593 -0.584 0.154 335 1HA GLY 55 1HA GLY 55 -4.276 1.515 -0.236 336 2HA GLY 55 2HA GLY 55 -5.829 1.743 0.543 337 H ILE 56 H ILE 56 -2.331 1.869 0.912 338 HA ILE 56 HA ILE 56 -2.141 2.012 3.676 339 HB ILE 56 HB ILE 56 -0.480 2.385 1.389 340 2HG1 ILE 56 2HG1 ILE 56 0.008 1.878 4.331 341 1HG2 ILE 56 1HG2 ILE 56 -0.463 4.650 3.355 342 2HG2 ILE 56 2HG2 ILE 56 1.064 4.099 2.625 343 3HG2 ILE 56 3HG2 ILE 56 -0.265 4.669 1.586 344 1HD1 ILE 56 1HD1 ILE 56 -0.542 0.267 1.907 345 2HD1 ILE 56 2HD1 ILE 56 0.889 -0.271 2.817 346 3HD1 ILE 56 3HD1 ILE 56 -0.694 -0.176 3.624 347 H VAL 57 H VAL 57 -3.711 4.113 1.442 348 HA VAL 57 HA VAL 57 -3.685 6.250 3.461 349 HB VAL 57 HB VAL 57 -4.554 6.949 0.754 350 1HG1 VAL 57 1HG1 VAL 57 -4.038 8.478 2.737 351 2HG1 VAL 57 2HG1 VAL 57 -2.321 8.154 2.403 352 3HG1 VAL 57 3HG1 VAL 57 -3.336 8.935 1.167 353 1HG2 VAL 57 1HG2 VAL 57 -1.830 5.748 1.208 354 2HG2 VAL 57 2HG2 VAL 57 -2.948 5.541 -0.162 355 3HG2 VAL 57 3HG2 VAL 57 -2.045 7.063 0.029 356 H ASP 58 H ASP 58 -5.620 4.356 1.080 357 HA ASP 58 HA ASP 58 -8.033 5.536 2.003 358 2HB ASP 58 2HB ASP 58 -8.866 3.347 0.617 359 H GLU 59 H GLU 59 -6.003 2.695 2.658 360 HA GLU 59 HA GLU 59 -8.118 1.447 4.179 361 2HB GLU 59 2HB GLU 59 -5.340 0.307 4.079 362 2HG GLU 59 2HG GLU 59 -7.493 -1.437 3.242 363 H CYS 60 H CYS 60 -5.322 3.511 4.559 364 HA CYS 60 HA CYS 60 -4.861 2.792 7.288 365 2HB CYS 60 2HB CYS 60 -3.491 5.027 7.122 366 H CYS 61 H CYS 61 -6.589 5.299 5.377 367 HA CYS 61 HA CYS 61 -7.268 6.818 7.695 368 2HB CYS 61 2HB CYS 61 -8.921 7.301 5.350 369 H PHE 62 H PHE 62 -8.655 4.226 5.657 370 HA PHE 62 HA PHE 62 -11.224 4.417 6.947 371 2HB PHE 62 2HB PHE 62 -9.911 2.389 5.038 372 HD1 PHE 62 HD1 PHE 62 -11.085 0.544 6.284 373 HD2 PHE 62 HD2 PHE 62 -13.198 3.698 4.388 374 HE1 PHE 62 HE1 PHE 62 -13.185 -0.831 6.334 375 HE2 PHE 62 HE2 PHE 62 -15.297 2.323 4.438 376 HZ PHE 62 HZ PHE 62 -15.265 0.075 5.410 377 H ARG 63 H ARG 63 -8.542 1.970 6.714 378 HA ARG 63 HA ARG 63 -9.657 0.797 9.129 379 2HB ARG 63 2HB ARG 63 -7.770 -1.023 8.196 380 2HG ARG 63 2HG ARG 63 -10.299 -1.453 6.822 381 2HD ARG 63 2HD ARG 63 -10.345 -3.016 9.101 382 HE ARG 63 HE ARG 63 -9.804 -3.467 6.408 383 1HH1 ARG 63 1HH1 ARG 63 -8.509 -4.710 9.435 384 2HH1 ARG 63 2HH1 ARG 63 -8.085 -6.251 8.769 385 1HH2 ARG 63 1HH2 ARG 63 -9.244 -5.500 5.528 386 2HH2 ARG 63 2HH2 ARG 63 -8.505 -6.704 6.532 387 H SER 64 H SER 64 -8.613 2.087 10.721 388 HA SER 64 HA SER 64 -6.422 3.314 10.934 389 2HB SER 64 2HB SER 64 -6.026 1.801 13.203 390 HG SER 64 HG SER 64 -6.793 4.108 12.934 391 H CYS 65 H CYS 65 -4.718 2.853 9.481 392 HA CYS 65 HA CYS 65 -3.241 0.406 10.119 393 2HB CYS 65 2HB CYS 65 -4.487 0.874 7.726 394 H ASP 66 H ASP 66 -1.699 1.351 11.493 395 HA ASP 66 HA ASP 66 -0.710 3.903 11.157 396 2HB ASP 66 2HB ASP 66 1.138 3.116 12.683 397 H LEU 67 H LEU 67 2.094 2.042 11.507 398 HA LEU 67 HA LEU 67 2.899 2.637 8.776 399 2HB LEU 67 2HB LEU 67 5.132 1.735 9.990 400 HG LEU 67 HG LEU 67 4.380 4.174 9.093 401 1HD1 LEU 67 1HD1 LEU 67 4.543 4.406 12.103 402 2HD1 LEU 67 2HD1 LEU 67 4.786 5.780 10.998 403 3HD1 LEU 67 3HD1 LEU 67 3.225 4.924 11.024 404 1HD2 LEU 67 1HD2 LEU 67 6.764 2.942 10.127 405 2HD2 LEU 67 2HD2 LEU 67 6.583 4.177 8.857 406 3HD2 LEU 67 3HD2 LEU 67 6.736 4.668 10.561 407 H ARG 68 H ARG 68 2.201 -0.059 10.985 408 HA ARG 68 HA ARG 68 3.460 -2.120 9.976 409 2HB ARG 68 2HB ARG 68 0.449 -2.382 10.227 410 2HG ARG 68 2HG ARG 68 2.443 -3.982 11.801 411 2HD ARG 68 2HD ARG 68 -0.323 -4.176 10.908 412 HE ARG 68 HE ARG 68 1.468 -6.057 9.613 413 1HH1 ARG 68 1HH1 ARG 68 -1.678 -5.791 11.166 414 2HH1 ARG 68 2HH1 ARG 68 -2.355 -7.140 10.317 415 1HH2 ARG 68 1HH2 ARG 68 0.576 -7.837 8.491 416 2HH2 ARG 68 2HH2 ARG 68 -1.064 -8.312 8.784 417 H ARG 69 H ARG 69 0.341 -0.856 8.572 418 HA ARG 69 HA ARG 69 0.297 -2.578 6.439 419 2HB ARG 69 2HB ARG 69 -0.777 0.105 5.816 420 2HG ARG 69 2HG ARG 69 -1.494 -2.290 5.002 421 2HD ARG 69 2HD ARG 69 -3.517 -2.211 7.199 422 HE ARG 69 HE ARG 69 -2.416 -4.162 5.347 423 1HH1 ARG 69 1HH1 ARG 69 -4.003 -3.824 8.470 424 2HH1 ARG 69 2HH1 ARG 69 -4.678 -5.418 8.444 425 1HH2 ARG 69 1HH2 ARG 69 -3.307 -6.267 5.312 426 2HH2 ARG 69 2HH2 ARG 69 -4.279 -6.817 6.635 427 H LEU 70 H LEU 70 1.863 0.629 6.889 428 HA LEU 70 HA LEU 70 2.482 1.349 4.368 429 2HB LEU 70 2HB LEU 70 3.187 2.140 6.872 430 HG LEU 70 HG LEU 70 5.192 0.714 6.975 431 1HD1 LEU 70 1HD1 LEU 70 5.461 1.481 4.228 432 2HD1 LEU 70 2HD1 LEU 70 6.920 1.976 5.119 433 3HD1 LEU 70 3HD1 LEU 70 6.385 0.279 5.160 434 1HD2 LEU 70 1HD2 LEU 70 5.050 3.523 7.351 435 2HD2 LEU 70 2HD2 LEU 70 6.086 2.340 8.186 436 3HD2 LEU 70 3HD2 LEU 70 6.668 3.151 6.712 437 H GLU 71 H GLU 71 4.108 -1.183 6.359 438 HA GLU 71 HA GLU 71 5.913 -1.734 4.214 439 2HB GLU 71 2HB GLU 71 6.015 -3.819 6.152 440 2HG GLU 71 2HG GLU 71 7.951 -1.967 6.901 441 H MET 72 H MET 72 2.779 -2.827 5.382 442 HA MET 72 HA MET 72 2.803 -5.397 4.375 443 2HB MET 72 2HB MET 72 0.217 -4.932 4.271 444 2HG MET 72 2HG MET 72 0.136 -4.536 6.830 445 1HE MET 72 1HE MET 72 -0.997 -6.355 5.180 446 2HE MET 72 2HE MET 72 -0.684 -8.065 5.563 447 3HE MET 72 3HE MET 72 -1.200 -6.945 6.847 448 H TYR 73 H TYR 73 1.923 -2.247 2.845 449 HA TYR 73 HA TYR 73 1.506 -3.655 0.313 450 2HB TYR 73 2HB TYR 73 1.194 -0.669 0.786 451 HD1 TYR 73 HD1 TYR 73 1.115 -3.096 -1.503 452 HD2 TYR 73 HD2 TYR 73 -1.640 -0.362 0.297 453 HE1 TYR 73 HE1 TYR 73 -0.366 -3.218 -3.566 454 HE2 TYR 73 HE2 TYR 73 -3.112 -0.494 -1.772 455 HH TYR 73 HH TYR 73 -2.020 -2.091 -4.661 456 H CYS 74 H CYS 74 3.826 -1.753 2.082 457 HA CYS 74 HA CYS 74 5.188 -0.127 0.791 458 2HB CYS 74 2HB CYS 74 7.009 -2.393 0.924 459 H ALA 75 H ALA 75 3.552 -0.867 -1.278 460 HA ALA 75 HA ALA 75 4.682 -2.618 -3.149 461 1HB ALA 75 1HB ALA 75 2.321 -1.252 -2.854 462 2HB ALA 75 2HB ALA 75 3.093 -0.335 -4.169 463 3HB ALA 75 3HB ALA 75 2.824 -2.085 -4.344 464 HA PRO 76 HA PRO 76 7.978 0.061 -4.277 465 2HB PRO 76 2HB PRO 76 9.577 -1.561 -3.940 466 2HG PRO 76 2HG PRO 76 8.749 -3.704 -3.741 467 2HD PRO 76 2HD PRO 76 6.607 -3.250 -3.044 468 H LEU 77 H LEU 77 5.478 -1.091 -5.996 469 HA LEU 77 HA LEU 77 6.012 -1.025 -8.589 470 2HB LEU 77 2HB LEU 77 3.796 0.681 -8.343 471 HG LEU 77 HG LEU 77 4.273 -2.117 -9.004 472 1HD1 LEU 77 1HD1 LEU 77 1.987 -1.458 -7.203 473 2HD1 LEU 77 2HD1 LEU 77 1.694 -2.569 -8.564 474 3HD1 LEU 77 3HD1 LEU 77 2.942 -2.952 -7.353 475 1HD2 LEU 77 1HD2 LEU 77 2.415 0.084 -9.869 476 2HD2 LEU 77 2HD2 LEU 77 3.704 -0.738 -10.781 477 3HD2 LEU 77 3HD2 LEU 77 2.178 -1.587 -10.436 478 H LYS 78 H LYS 78 7.171 0.219 -9.952 479 HA LYS 78 HA LYS 78 8.383 2.567 -9.173 480 2HB LYS 78 2HB LYS 78 9.490 2.189 -11.061 481 2HG LYS 78 2HG LYS 78 7.268 0.191 -11.706 482 2HD LYS 78 2HD LYS 78 8.880 -0.881 -13.167 483 2HE LYS 78 2HE LYS 78 9.115 2.115 -13.702 484 1HZ LYS 78 1HZ LYS 78 9.593 -0.282 -15.182 485 2HZ LYS 78 2HZ LYS 78 8.675 0.809 -15.977 486 3HZ LYS 78 3HZ LYS 78 10.157 1.230 -15.435 487 HA PRO 79 HA PRO 79 5.372 5.616 -9.676 488 2HB PRO 79 2HB PRO 79 6.679 7.197 -8.630 489 2HG PRO 79 2HG PRO 79 8.944 6.765 -8.688 490 2HD PRO 79 2HD PRO 79 8.918 4.483 -8.960 491 H ALA 80 H ALA 80 5.216 7.886 -11.274 492 HA ALA 80 HA ALA 80 5.634 7.079 -13.978 493 1HB ALA 80 1HB ALA 80 3.312 6.092 -12.756 494 2HB ALA 80 2HB ALA 80 2.762 7.524 -13.660 495 3HB ALA 80 3HB ALA 80 3.622 6.213 -14.505 496 H LYS 81 H LYS 81 3.586 9.132 -11.787 497 HA LYS 81 HA LYS 81 4.876 11.491 -12.429 498 2HB LYS 81 2HB LYS 81 2.478 10.912 -14.181 499 2HG LYS 81 2HG LYS 81 3.410 13.449 -13.000 500 2HD LYS 81 2HD LYS 81 2.916 14.541 -15.392 501 2HE LYS 81 2HE LYS 81 5.466 14.401 -15.852 502 1HZ LYS 81 1HZ LYS 81 4.043 15.716 -13.927 503 2HZ LYS 81 2HZ LYS 81 5.383 15.183 -13.160 504 3HZ LYS 81 3HZ LYS 81 5.522 16.115 -14.493 505 H SER 82 H SER 82 3.870 10.049 -10.163 506 HA SER 82 HA SER 82 1.591 10.397 -9.083 507 2HB SER 82 2HB SER 82 4.192 11.407 -7.856 508 HG SER 82 HG SER 82 1.596 11.357 -6.829 509 H ALA 83 H ALA 83 3.807 13.221 -8.532 510 HA ALA 83 HA ALA 83 1.844 15.035 -7.952 511 1HB ALA 83 1HB ALA 83 4.654 15.192 -9.023 512 2HB ALA 83 2HB ALA 83 3.683 16.679 -8.908 513 3HB ALA 83 3HB ALA 83 4.010 15.714 -7.447 Start of MODEL 14 1 H MET 1 H MET 1 -11.886 12.267 1.780 2 HA MET 1 HA MET 1 -12.322 12.218 4.653 3 2HB MET 1 2HB MET 1 -13.095 14.287 3.730 4 2HG MET 1 2HG MET 1 -14.819 13.952 1.649 5 1HE MET 1 1HE MET 1 -13.976 14.125 -0.728 6 2HE MET 1 2HE MET 1 -13.905 15.872 -0.394 7 3HE MET 1 3HE MET 1 -12.539 15.063 -1.200 8 H PHE 2 H PHE 2 -13.250 10.712 1.564 9 HA PHE 2 HA PHE 2 -14.365 8.866 1.103 10 2HB PHE 2 2HB PHE 2 -14.450 7.149 2.834 11 HD1 PHE 2 HD1 PHE 2 -12.139 8.938 1.495 12 HD2 PHE 2 HD2 PHE 2 -12.771 7.189 5.309 13 HE1 PHE 2 HE1 PHE 2 -9.658 8.838 1.859 14 HE2 PHE 2 HE2 PHE 2 -10.290 7.089 5.673 15 HZ PHE 2 HZ PHE 2 -8.763 7.914 3.945 16 HA PRO 3 HA PRO 3 -18.531 9.901 1.696 17 2HB PRO 3 2HB PRO 3 -19.105 9.073 -0.375 18 2HG PRO 3 2HG PRO 3 -17.625 7.528 -1.238 19 2HD PRO 3 2HD PRO 3 -15.713 8.119 -0.107 20 H ALA 4 H ALA 4 -19.166 6.501 1.920 21 HA ALA 4 HA ALA 4 -20.876 6.287 3.793 22 1HB ALA 4 1HB ALA 4 -18.562 4.729 3.050 23 2HB ALA 4 2HB ALA 4 -18.838 4.577 4.802 24 3HB ALA 4 3HB ALA 4 -20.139 4.170 3.657 25 H MET 5 H MET 5 -17.593 6.021 5.241 26 HA MET 5 HA MET 5 -18.604 7.650 7.420 27 2HB MET 5 2HB MET 5 -16.319 6.662 8.434 28 2HG MET 5 2HG MET 5 -18.591 6.001 9.219 29 1HE MET 5 1HE MET 5 -17.082 3.500 6.902 30 2HE MET 5 2HE MET 5 -18.278 2.334 7.517 31 3HE MET 5 3HE MET 5 -18.393 2.927 5.843 32 HA PRO 6 HA PRO 6 -15.930 10.799 5.943 33 2HB PRO 6 2HB PRO 6 -17.553 12.417 6.162 34 2HG PRO 6 2HG PRO 6 -19.351 11.807 7.472 35 2HD PRO 6 2HD PRO 6 -19.237 9.518 7.280 36 H LEU 7 H LEU 7 -13.890 10.032 6.324 37 HA LEU 7 HA LEU 7 -13.024 10.248 9.099 38 2HB LEU 7 2HB LEU 7 -10.988 9.245 7.388 39 HG LEU 7 HG LEU 7 -12.442 8.369 9.739 40 1HD1 LEU 7 1HD1 LEU 7 -11.979 6.318 7.567 41 2HD1 LEU 7 2HD1 LEU 7 -12.106 5.898 9.291 42 3HD1 LEU 7 3HD1 LEU 7 -13.478 6.670 8.460 43 1HD2 LEU 7 1HD2 LEU 7 -9.740 7.702 8.545 44 2HD2 LEU 7 2HD2 LEU 7 -10.107 8.887 9.822 45 3HD2 LEU 7 3HD2 LEU 7 -10.299 7.147 10.141 46 H SER 8 H SER 8 -12.191 12.153 9.747 47 HA SER 8 HA SER 8 -10.127 13.325 8.219 48 2HB SER 8 2HB SER 8 -11.411 14.715 6.969 49 HG SER 8 HG SER 8 -13.675 15.031 7.356 50 H SER 9 H SER 9 -9.743 12.330 10.626 51 HA SER 9 HA SER 9 -9.302 14.628 12.223 52 2HB SER 9 2HB SER 9 -11.662 14.085 12.836 53 HG SER 9 HG SER 9 -11.508 11.743 12.550 54 H LEU 10 H LEU 10 -7.099 13.901 11.875 55 HA LEU 10 HA LEU 10 -5.990 12.420 13.865 56 2HB LEU 10 2HB LEU 10 -5.652 10.507 11.729 57 HG LEU 10 HG LEU 10 -6.369 8.863 13.382 58 1HD1 LEU 10 1HD1 LEU 10 -4.039 9.711 13.392 59 2HD1 LEU 10 2HD1 LEU 10 -4.503 10.890 14.642 60 3HD1 LEU 10 3HD1 LEU 10 -4.591 9.145 14.988 61 1HD2 LEU 10 1HD2 LEU 10 -7.227 11.290 14.946 62 2HD2 LEU 10 2HD2 LEU 10 -8.148 9.821 14.545 63 3HD2 LEU 10 3HD2 LEU 10 -6.842 9.751 15.752 64 H PHE 11 H PHE 11 -6.032 13.539 10.511 65 HA PHE 11 HA PHE 11 -3.339 14.492 10.858 66 2HB PHE 11 2HB PHE 11 -3.638 13.149 8.248 67 HD1 PHE 11 HD1 PHE 11 -1.433 14.244 8.058 68 HD2 PHE 11 HD2 PHE 11 -2.169 11.241 10.964 69 HE1 PHE 11 HE1 PHE 11 1.039 13.947 8.375 70 HE2 PHE 11 HE2 PHE 11 0.304 10.942 11.282 71 HZ PHE 11 HZ PHE 11 1.878 12.299 9.984 72 H VAL 12 H VAL 12 -6.512 14.781 9.813 73 HA VAL 12 HA VAL 12 -6.161 16.202 7.399 74 HB VAL 12 HB VAL 12 -8.373 15.960 9.431 75 1HG1 VAL 12 1HG1 VAL 12 -8.068 17.952 7.291 76 2HG1 VAL 12 2HG1 VAL 12 -9.572 17.006 7.178 77 3HG1 VAL 12 3HG1 VAL 12 -9.198 17.906 8.667 78 1HG2 VAL 12 1HG2 VAL 12 -7.750 14.762 6.743 79 2HG2 VAL 12 2HG2 VAL 12 -8.282 13.970 8.246 80 3HG2 VAL 12 3HG2 VAL 12 -9.442 14.911 7.277 81 H ASN 13 H ASN 13 -4.318 17.595 7.960 82 HA ASN 13 HA ASN 13 -5.023 19.717 9.802 83 2HB ASN 13 2HB ASN 13 -2.367 19.942 8.567 84 1HD2 ASN 13 2HD2 ASN 13 -1.193 18.547 10.887 85 2HD2 ASN 13 1HD2 ASN 13 -1.457 19.559 12.267 86 H GLY 14 H GLY 14 -3.596 19.145 6.495 87 1HA GLY 14 1HA GLY 14 -4.720 21.750 5.652 88 2HA GLY 14 2HA GLY 14 -3.145 21.174 5.144 89 HA PRO 15 HA PRO 15 -5.943 19.710 1.948 90 2HB PRO 15 2HB PRO 15 -5.579 21.424 0.454 91 2HG PRO 15 2HG PRO 15 -3.832 22.825 1.003 92 2HD PRO 15 2HD PRO 15 -3.743 22.497 3.277 93 H ARG 16 H ARG 16 -2.439 19.294 1.852 94 HA ARG 16 HA ARG 16 -2.968 16.581 0.985 95 2HB ARG 16 2HB ARG 16 -0.230 16.829 0.882 96 2HG ARG 16 2HG ARG 16 -2.263 17.794 -1.183 97 2HD ARG 16 2HD ARG 16 -0.461 17.327 -2.844 98 HE ARG 16 HE ARG 16 -0.311 19.636 -2.330 99 1HH1 ARG 16 1HH1 ARG 16 1.352 17.709 0.099 100 2HH1 ARG 16 2HH1 ARG 16 2.146 19.071 0.819 101 1HH2 ARG 16 1HH2 ARG 16 0.735 21.432 -1.381 102 2HH2 ARG 16 2HH2 ARG 16 1.792 21.202 -0.028 103 H THR 17 H THR 17 -1.555 18.586 3.576 104 HA THR 17 HA THR 17 -0.222 16.492 4.934 105 HB THR 17 HB THR 17 0.067 18.195 6.641 106 HG1 THR 17 HG1 THR 17 -2.167 19.447 5.202 107 1HG2 THR 17 1HG2 THR 17 0.793 18.770 4.079 108 2HG2 THR 17 2HG2 THR 17 -0.394 20.071 4.335 109 3HG2 THR 17 3HG2 THR 17 1.019 19.931 5.409 110 H LEU 18 H LEU 18 -3.440 16.715 4.218 111 HA LEU 18 HA LEU 18 -4.597 16.166 6.732 112 2HB LEU 18 2HB LEU 18 -5.776 17.071 4.753 113 HG LEU 18 HG LEU 18 -6.364 15.917 2.895 114 1HD1 LEU 18 1HD1 LEU 18 -3.714 14.776 3.748 115 2HD1 LEU 18 2HD1 LEU 18 -4.461 14.306 2.202 116 3HD1 LEU 18 3HD1 LEU 18 -4.073 16.014 2.521 117 1HD2 LEU 18 1HD2 LEU 18 -7.282 14.039 4.529 118 2HD2 LEU 18 2HD2 LEU 18 -7.101 13.761 2.780 119 3HD2 LEU 18 3HD2 LEU 18 -5.867 13.155 3.910 120 H CYS 19 H CYS 19 -6.149 13.799 6.092 121 HA CYS 19 HA CYS 19 -4.314 11.878 7.041 122 2HB CYS 19 2HB CYS 19 -6.977 11.108 5.920 123 H GLY 20 H GLY 20 -3.727 13.180 4.379 124 1HA GLY 20 1HA GLY 20 -3.694 10.733 2.715 125 2HA GLY 20 2HA GLY 20 -3.951 12.338 2.063 126 H ALA 21 H ALA 21 -1.901 13.034 4.517 127 HA ALA 21 HA ALA 21 0.433 12.732 2.772 128 1HB ALA 21 1HB ALA 21 -0.561 14.782 4.690 129 2HB ALA 21 2HB ALA 21 1.196 14.491 4.699 130 3HB ALA 21 3HB ALA 21 0.381 14.977 3.193 131 H GLU 22 H GLU 22 -1.116 11.422 5.531 132 HA GLU 22 HA GLU 22 1.294 10.834 6.937 133 2HB GLU 22 2HB GLU 22 -1.618 10.051 7.303 134 2HG GLU 22 2HG GLU 22 -0.029 9.454 9.628 135 H LEU 23 H LEU 23 -1.319 8.573 5.815 136 HA LEU 23 HA LEU 23 -0.007 6.275 5.802 137 2HB LEU 23 2HB LEU 23 -2.096 5.936 5.092 138 HG LEU 23 HG LEU 23 -3.142 7.274 3.136 139 1HD1 LEU 23 1HD1 LEU 23 -3.219 7.533 5.923 140 2HD1 LEU 23 2HD1 LEU 23 -3.093 9.196 5.301 141 3HD1 LEU 23 3HD1 LEU 23 -4.409 8.134 4.744 142 1HD2 LEU 23 1HD2 LEU 23 -0.911 8.394 2.614 143 2HD2 LEU 23 2HD2 LEU 23 -2.349 9.441 2.677 144 3HD2 LEU 23 3HD2 LEU 23 -1.210 9.409 4.045 145 H VAL 24 H VAL 24 0.556 8.982 3.555 146 HA VAL 24 HA VAL 24 2.275 7.430 1.868 147 HB VAL 24 HB VAL 24 1.324 9.086 0.659 148 1HG1 VAL 24 1HG1 VAL 24 1.426 10.803 3.152 149 2HG1 VAL 24 2HG1 VAL 24 0.940 11.433 1.560 150 3HG1 VAL 24 3HG1 VAL 24 -0.003 10.134 2.328 151 1HG2 VAL 24 1HG2 VAL 24 3.849 9.350 0.637 152 2HG2 VAL 24 2HG2 VAL 24 2.915 10.767 0.102 153 3HG2 VAL 24 3HG2 VAL 24 3.628 10.735 1.732 154 H ASP 25 H ASP 25 2.561 9.584 4.703 155 HA ASP 25 HA ASP 25 5.331 9.902 4.480 156 2HB ASP 25 2HB ASP 25 4.599 10.070 7.226 157 H ALA 26 H ALA 26 3.150 7.417 5.751 158 HA ALA 26 HA ALA 26 4.968 6.190 7.532 159 1HB ALA 26 1HB ALA 26 2.317 6.028 7.138 160 2HB ALA 26 2HB ALA 26 2.812 4.624 6.163 161 3HB ALA 26 3HB ALA 26 3.244 4.707 7.888 162 H LEU 27 H LEU 27 3.851 5.308 4.181 163 HA LEU 27 HA LEU 27 5.719 3.239 3.900 164 2HB LEU 27 2HB LEU 27 5.028 3.156 1.640 165 HG LEU 27 HG LEU 27 3.043 3.367 3.672 166 1HD1 LEU 27 1HD1 LEU 27 2.546 5.473 2.133 167 2HD1 LEU 27 2HD1 LEU 27 1.766 4.236 1.120 168 3HD1 LEU 27 3HD1 LEU 27 1.243 4.464 2.806 169 1HD2 LEU 27 1HD2 LEU 27 3.644 1.376 2.320 170 2HD2 LEU 27 2HD2 LEU 27 1.895 1.702 2.358 171 3HD2 LEU 27 3HD2 LEU 27 2.847 2.125 0.914 172 H GLN 28 H GLN 28 6.014 6.706 3.820 173 HA GLN 28 HA GLN 28 8.408 6.574 2.228 174 2HB GLN 28 2HB GLN 28 7.205 8.993 3.636 175 2HG GLN 28 2HG GLN 28 8.421 9.498 1.065 176 1HE2 GLN 28 2HE2 GLN 28 8.956 9.376 4.577 177 2HE2 GLN 28 1HE2 GLN 28 9.343 11.049 4.802 178 H PHE 29 H PHE 29 7.480 6.174 5.495 179 HA PHE 29 HA PHE 29 9.867 7.326 6.618 180 2HB PHE 29 2HB PHE 29 7.290 6.022 7.447 181 HD1 PHE 29 HD1 PHE 29 10.751 6.199 8.784 182 HD2 PHE 29 HD2 PHE 29 6.809 4.730 9.339 183 HE1 PHE 29 HE1 PHE 29 11.548 4.784 10.698 184 HE2 PHE 29 HE2 PHE 29 7.606 3.314 11.253 185 HZ PHE 29 HZ PHE 29 9.965 3.358 11.910 186 H VAL 30 H VAL 30 8.465 4.032 6.058 187 HA VAL 30 HA VAL 30 11.035 2.892 6.853 188 HB VAL 30 HB VAL 30 8.213 1.980 6.745 189 1HG1 VAL 30 1HG1 VAL 30 10.559 0.108 6.291 190 2HG1 VAL 30 2HG1 VAL 30 8.931 -0.415 6.780 191 3HG1 VAL 30 3HG1 VAL 30 9.173 0.385 5.209 192 1HG2 VAL 30 1HG2 VAL 30 10.561 1.771 8.619 193 2HG2 VAL 30 2HG2 VAL 30 8.934 2.433 8.909 194 3HG2 VAL 30 3HG2 VAL 30 9.171 0.673 8.791 195 H CYS 31 H CYS 31 8.608 2.884 4.161 196 HA CYS 31 HA CYS 31 10.010 1.259 2.447 197 2HB CYS 31 2HB CYS 31 8.654 3.416 1.050 198 H GLY 32 H GLY 32 10.517 4.608 3.471 199 1HA GLY 32 1HA GLY 32 12.904 5.260 3.159 200 2HA GLY 32 2HA GLY 32 12.671 4.890 1.463 201 H ASP 33 H ASP 33 12.895 7.428 3.539 202 HA ASP 33 HA ASP 33 10.883 9.072 3.408 203 2HB ASP 33 2HB ASP 33 12.500 10.957 3.112 204 H ARG 34 H ARG 34 12.645 7.768 0.647 205 HA ARG 34 HA ARG 34 12.187 9.680 -1.239 206 2HB ARG 34 2HB ARG 34 12.232 7.674 -2.872 207 2HG ARG 34 2HG ARG 34 14.574 6.895 -1.925 208 2HD ARG 34 2HD ARG 34 13.684 9.241 -3.336 209 HE ARG 34 HE ARG 34 14.723 10.925 -2.111 210 1HH1 ARG 34 1HH1 ARG 34 16.510 7.935 -1.612 211 2HH1 ARG 34 2HH1 ARG 34 17.711 8.671 -0.605 212 1HH2 ARG 34 1HH2 ARG 34 16.306 11.897 -0.782 213 2HH2 ARG 34 2HH2 ARG 34 17.594 10.940 -0.129 214 H GLY 35 H GLY 35 9.920 7.715 0.482 215 1HA GLY 35 1HA GLY 35 7.643 7.853 0.423 216 2HA GLY 35 2HA GLY 35 7.719 8.781 -1.061 217 H PHE 36 H PHE 36 6.177 6.240 -0.143 218 HA PHE 36 HA PHE 36 7.147 4.386 -2.179 219 2HB PHE 36 2HB PHE 36 5.892 4.287 0.458 220 HD1 PHE 36 HD1 PHE 36 3.504 5.104 -0.414 221 HD2 PHE 36 HD2 PHE 36 5.134 1.237 -1.050 222 HE1 PHE 36 HE1 PHE 36 1.193 4.187 -0.754 223 HE2 PHE 36 HE2 PHE 36 2.822 0.320 -1.390 224 HZ PHE 36 HZ PHE 36 0.880 1.805 -1.239 225 H TYR 37 H TYR 37 5.677 3.475 -3.763 226 HA TYR 37 HA TYR 37 3.774 5.431 -4.681 227 2HB TYR 37 2HB TYR 37 3.979 2.691 -5.893 228 HD1 TYR 37 HD1 TYR 37 2.055 4.477 -6.805 229 HD2 TYR 37 HD2 TYR 37 6.247 4.572 -7.653 230 HE1 TYR 37 HE1 TYR 37 1.601 5.776 -8.943 231 HE2 TYR 37 HE2 TYR 37 5.779 5.870 -9.788 232 HH TYR 37 HH TYR 37 3.761 7.503 -10.494 233 H PHE 38 H PHE 38 1.727 5.495 -3.902 234 HA PHE 38 HA PHE 38 0.600 3.395 -2.441 235 2HB PHE 38 2HB PHE 38 -1.535 4.887 -3.113 236 HD1 PHE 38 HD1 PHE 38 1.778 6.358 -2.182 237 HD2 PHE 38 HD2 PHE 38 -2.212 5.510 -1.010 238 HE1 PHE 38 HE1 PHE 38 2.194 7.464 0.034 239 HE2 PHE 38 HE2 PHE 38 -1.796 6.615 1.205 240 HZ PHE 38 HZ PHE 38 0.402 7.579 1.700 241 H ASN 39 H ASN 39 -1.614 4.589 -4.846 242 HA ASN 39 HA ASN 39 -1.962 1.897 -5.762 243 2HB ASN 39 2HB ASN 39 -3.486 4.383 -6.676 244 1HD2 ASN 39 2HD2 ASN 39 -5.868 3.701 -6.775 245 2HD2 ASN 39 1HD2 ASN 39 -6.216 2.208 -7.580 246 H LYS 40 H LYS 40 -2.537 1.791 -8.321 247 HA LYS 40 HA LYS 40 -0.300 3.105 -9.673 248 2HB LYS 40 2HB LYS 40 -1.659 1.026 -11.187 249 2HG LYS 40 2HG LYS 40 1.064 0.555 -10.121 250 2HD LYS 40 2HD LYS 40 0.526 1.161 -13.002 251 2HE LYS 40 2HE LYS 40 1.709 -1.329 -11.702 252 1HZ LYS 40 1HZ LYS 40 1.505 -0.240 -14.336 253 2HZ LYS 40 2HZ LYS 40 3.008 -0.744 -13.947 254 3HZ LYS 40 3HZ LYS 40 1.751 -1.783 -13.863 255 HA PRO 41 HA PRO 41 -3.496 5.582 -11.401 256 2HB PRO 41 2HB PRO 41 -2.553 7.554 -10.679 257 2HG PRO 41 2HG PRO 41 -0.375 7.366 -9.939 258 2HD PRO 41 2HD PRO 41 -0.331 5.141 -9.362 259 H THR 42 H THR 42 -3.265 3.390 -12.748 260 HA THR 42 HA THR 42 -3.319 4.340 -15.446 261 HB THR 42 HB THR 42 -1.112 2.407 -14.560 262 HG1 THR 42 HG1 THR 42 -1.309 5.150 -15.580 263 1HG2 THR 42 1HG2 THR 42 -2.063 3.439 -17.265 264 2HG2 THR 42 2HG2 THR 42 -0.361 2.988 -17.007 265 3HG2 THR 42 3HG2 THR 42 -1.644 1.770 -16.807 266 H GLY 43 H GLY 43 -3.522 2.211 -16.947 267 1HA GLY 43 1HA GLY 43 -5.917 1.113 -16.618 268 2HA GLY 43 2HA GLY 43 -4.581 0.231 -17.330 269 H TYR 44 H TYR 44 -6.795 -0.916 -15.797 270 HA TYR 44 HA TYR 44 -5.729 -1.537 -13.193 271 2HB TYR 44 2HB TYR 44 -7.910 -3.204 -14.319 272 HD1 TYR 44 HD1 TYR 44 -6.875 -3.476 -11.714 273 HD2 TYR 44 HD2 TYR 44 -9.683 -0.565 -13.110 274 HE1 TYR 44 HE1 TYR 44 -7.779 -3.206 -9.353 275 HE2 TYR 44 HE2 TYR 44 -10.577 -0.304 -10.744 276 HH TYR 44 HH TYR 44 -10.679 -1.447 -8.724 277 H GLY 45 H GLY 45 -3.780 -2.265 -15.009 278 1HA GLY 45 1HA GLY 45 -3.728 -4.613 -16.287 279 2HA GLY 45 2HA GLY 45 -2.409 -4.055 -15.278 280 H SER 46 H SER 46 -4.157 -4.159 -12.780 281 HA SER 46 HA SER 46 -3.699 -6.957 -12.310 282 2HB SER 46 2HB SER 46 -4.657 -4.822 -10.356 283 HG SER 46 HG SER 46 -3.452 -6.310 -8.868 284 H SER 47 H SER 47 -5.567 -7.435 -13.901 285 HA SER 47 HA SER 47 -8.170 -6.772 -13.024 286 2HB SER 47 2HB SER 47 -8.083 -7.089 -15.332 287 HG SER 47 HG SER 47 -6.707 -9.610 -15.056 288 H SER 48 H SER 48 -7.774 -7.614 -10.731 289 HA SER 48 HA SER 48 -8.591 -10.395 -10.678 290 2HB SER 48 2HB SER 48 -6.049 -10.038 -10.202 291 HG SER 48 HG SER 48 -5.485 -9.180 -8.276 292 H ARG 49 H ARG 49 -9.491 -10.970 -8.401 293 HA ARG 49 HA ARG 49 -11.577 -9.517 -7.776 294 2HB ARG 49 2HB ARG 49 -11.349 -11.581 -6.625 295 2HG ARG 49 2HG ARG 49 -8.711 -10.487 -5.540 296 2HD ARG 49 2HD ARG 49 -10.497 -12.589 -4.539 297 HE ARG 49 HE ARG 49 -7.777 -13.671 -4.729 298 1HH1 ARG 49 1HH1 ARG 49 -10.983 -13.632 -6.177 299 2HH1 ARG 49 2HH1 ARG 49 -10.782 -15.158 -6.972 300 1HH2 ARG 49 1HH2 ARG 49 -7.511 -15.685 -5.776 301 2HH2 ARG 49 2HH2 ARG 49 -8.795 -16.333 -6.742 302 H ARG 50 H ARG 50 -11.457 -7.243 -7.740 303 HA ARG 50 HA ARG 50 -9.568 -5.637 -6.946 304 2HB ARG 50 2HB ARG 50 -11.610 -4.656 -7.715 305 2HG ARG 50 2HG ARG 50 -13.285 -5.209 -5.337 306 2HD ARG 50 2HD ARG 50 -13.532 -5.062 -8.327 307 HE ARG 50 HE ARG 50 -14.684 -7.268 -7.204 308 1HH1 ARG 50 1HH1 ARG 50 -16.064 -4.224 -8.301 309 2HH1 ARG 50 2HH1 ARG 50 -17.597 -4.918 -8.710 310 1HH2 ARG 50 1HH2 ARG 50 -16.706 -8.186 -7.744 311 2HH2 ARG 50 2HH2 ARG 50 -17.965 -7.187 -8.391 312 H ALA 51 H ALA 51 -8.213 -5.739 -5.175 313 HA ALA 51 HA ALA 51 -9.211 -6.794 -2.685 314 1HB ALA 51 1HB ALA 51 -6.549 -5.984 -3.840 315 2HB ALA 51 2HB ALA 51 -6.721 -6.149 -2.076 316 3HB ALA 51 3HB ALA 51 -7.052 -7.539 -3.137 317 H CYS 52 H CYS 52 -7.729 -3.690 -3.861 318 HA CYS 52 HA CYS 52 -8.411 -1.612 -3.330 319 2HB CYS 52 2HB CYS 52 -9.783 -2.429 -0.786 320 HG CYS 52 HG CYS 52 -9.154 0.120 -2.172 321 H GLN 53 H GLN 53 -6.911 -4.052 -1.366 322 HA GLN 53 HA GLN 53 -6.037 -2.998 0.846 323 2HB GLN 53 2HB GLN 53 -4.591 -4.569 -1.279 324 2HG GLN 53 2HG GLN 53 -3.309 -3.045 0.935 325 1HE2 GLN 53 2HE2 GLN 53 -1.473 -5.514 -0.457 326 2HE2 GLN 53 1HE2 GLN 53 -1.330 -6.582 0.900 327 H THR 54 H THR 54 -5.063 -1.891 -2.416 328 HA THR 54 HA THR 54 -2.962 -0.210 -1.584 329 HB THR 54 HB THR 54 -3.957 -1.146 -3.967 330 HG1 THR 54 HG1 THR 54 -2.256 0.225 -4.724 331 1HG2 THR 54 1HG2 THR 54 -5.768 0.801 -3.678 332 2HG2 THR 54 2HG2 THR 54 -4.405 1.845 -4.149 333 3HG2 THR 54 3HG2 THR 54 -4.964 0.561 -5.247 334 H GLY 55 H GLY 55 -5.541 -0.059 0.021 335 1HA GLY 55 1HA GLY 55 -6.311 2.727 -0.460 336 2HA GLY 55 2HA GLY 55 -7.111 1.569 0.583 337 H ILE 56 H ILE 56 -3.565 1.921 0.588 338 HA ILE 56 HA ILE 56 -3.304 2.135 3.283 339 HB ILE 56 HB ILE 56 -1.664 2.406 0.961 340 2HG1 ILE 56 2HG1 ILE 56 -0.741 1.985 3.807 341 1HG2 ILE 56 1HG2 ILE 56 -1.703 4.849 1.868 342 2HG2 ILE 56 2HG2 ILE 56 -0.645 4.199 3.143 343 3HG2 ILE 56 3HG2 ILE 56 -0.154 4.087 1.435 344 1HD1 ILE 56 1HD1 ILE 56 -2.521 0.307 2.075 345 2HD1 ILE 56 2HD1 ILE 56 -1.181 -0.529 2.897 346 3HD1 ILE 56 3HD1 ILE 56 -2.390 0.368 3.850 347 H VAL 57 H VAL 57 -4.892 4.339 1.259 348 HA VAL 57 HA VAL 57 -4.387 6.531 3.147 349 HB VAL 57 HB VAL 57 -5.799 7.305 0.763 350 1HG1 VAL 57 1HG1 VAL 57 -4.287 8.594 2.465 351 2HG1 VAL 57 2HG1 VAL 57 -2.959 8.066 1.402 352 3HG1 VAL 57 3HG1 VAL 57 -4.282 9.062 0.747 353 1HG2 VAL 57 1HG2 VAL 57 -3.364 5.580 0.386 354 2HG2 VAL 57 2HG2 VAL 57 -4.873 5.637 -0.557 355 3HG2 VAL 57 3HG2 VAL 57 -3.672 6.940 -0.721 356 H ASP 58 H ASP 58 -6.900 4.707 1.299 357 HA ASP 58 HA ASP 58 -8.926 5.987 2.892 358 2HB ASP 58 2HB ASP 58 -9.719 5.742 0.712 359 H GLU 59 H GLU 59 -7.112 2.949 2.537 360 HA GLU 59 HA GLU 59 -8.925 1.555 4.290 361 2HB GLU 59 2HB GLU 59 -7.701 0.583 2.185 362 2HG GLU 59 2HG GLU 59 -5.440 1.293 3.681 363 H CYS 60 H CYS 60 -5.996 3.444 4.396 364 HA CYS 60 HA CYS 60 -5.067 2.235 6.835 365 2HB CYS 60 2HB CYS 60 -4.076 4.781 5.552 366 H CYS 61 H CYS 61 -6.467 5.386 5.684 367 HA CYS 61 HA CYS 61 -6.599 6.545 8.217 368 2HB CYS 61 2HB CYS 61 -8.507 7.895 6.980 369 H PHE 62 H PHE 62 -8.846 4.509 6.264 370 HA PHE 62 HA PHE 62 -10.946 4.719 8.191 371 2HB PHE 62 2HB PHE 62 -10.410 2.752 5.884 372 HD1 PHE 62 HD1 PHE 62 -12.908 4.315 8.126 373 HD2 PHE 62 HD2 PHE 62 -12.190 1.398 5.128 374 HE1 PHE 62 HE1 PHE 62 -15.183 3.336 8.533 375 HE2 PHE 62 HE2 PHE 62 -14.464 0.420 5.535 376 HZ PHE 62 HZ PHE 62 -15.934 1.401 7.232 377 H ARG 63 H ARG 63 -8.520 2.216 7.205 378 HA ARG 63 HA ARG 63 -9.368 0.695 9.526 379 2HB ARG 63 2HB ARG 63 -7.362 -0.526 7.699 380 2HG ARG 63 2HG ARG 63 -9.878 -1.275 9.156 381 2HD ARG 63 2HD ARG 63 -8.846 -3.100 6.966 382 HE ARG 63 HE ARG 63 -11.023 -3.158 8.873 383 1HH1 ARG 63 1HH1 ARG 63 -10.165 -4.110 5.596 384 2HH1 ARG 63 2HH1 ARG 63 -11.304 -5.414 5.540 385 1HH2 ARG 63 1HH2 ARG 63 -12.526 -4.878 8.800 386 2HH2 ARG 63 2HH2 ARG 63 -12.656 -5.853 7.374 387 H SER 64 H SER 64 -8.210 1.749 11.211 388 HA SER 64 HA SER 64 -5.959 2.961 11.345 389 2HB SER 64 2HB SER 64 -5.570 2.075 13.586 390 HG SER 64 HG SER 64 -7.784 2.057 14.411 391 H CYS 65 H CYS 65 -4.292 2.586 9.855 392 HA CYS 65 HA CYS 65 -2.999 -0.034 10.090 393 2HB CYS 65 2HB CYS 65 -4.161 0.844 7.839 394 H ASP 66 H ASP 66 -1.426 0.498 11.644 395 HA ASP 66 HA ASP 66 -0.232 2.945 11.886 396 2HB ASP 66 2HB ASP 66 1.464 1.784 13.232 397 H LEU 67 H LEU 67 2.561 1.224 11.805 398 HA LEU 67 HA LEU 67 3.238 2.202 9.151 399 2HB LEU 67 2HB LEU 67 4.522 2.189 11.635 400 HG LEU 67 HG LEU 67 5.459 -0.090 10.212 401 1HD1 LEU 67 1HD1 LEU 67 7.015 2.330 9.647 402 2HD1 LEU 67 2HD1 LEU 67 7.974 1.007 10.354 403 3HD1 LEU 67 3HD1 LEU 67 7.041 0.731 8.864 404 1HD2 LEU 67 1HD2 LEU 67 5.931 1.313 12.752 405 2HD2 LEU 67 2HD2 LEU 67 5.741 -0.423 12.409 406 3HD2 LEU 67 3HD2 LEU 67 7.318 0.366 12.163 407 H ARG 68 H ARG 68 2.382 -0.718 10.830 408 HA ARG 68 HA ARG 68 3.874 -2.561 9.490 409 2HB ARG 68 2HB ARG 68 1.096 -3.456 9.868 410 2HG ARG 68 2HG ARG 68 2.197 -4.935 11.558 411 2HD ARG 68 2HD ARG 68 3.106 -4.657 8.740 412 HE ARG 68 HE ARG 68 5.297 -5.272 9.293 413 1HH1 ARG 68 1HH1 ARG 68 3.049 -7.028 11.355 414 2HH1 ARG 68 2HH1 ARG 68 4.273 -8.040 12.045 415 1HH2 ARG 68 1HH2 ARG 68 6.913 -6.607 10.204 416 2HH2 ARG 68 2HH2 ARG 68 6.486 -7.799 11.386 417 H ARG 69 H ARG 69 0.973 -0.730 8.489 418 HA ARG 69 HA ARG 69 0.363 -2.345 6.297 419 2HB ARG 69 2HB ARG 69 -0.317 0.541 6.052 420 2HG ARG 69 2HG ARG 69 -1.524 -1.248 4.820 421 2HD ARG 69 2HD ARG 69 -3.104 -2.273 7.037 422 HE ARG 69 HE ARG 69 -1.709 -3.323 4.692 423 1HH1 ARG 69 1HH1 ARG 69 -3.365 -4.201 7.670 424 2HH1 ARG 69 2HH1 ARG 69 -3.781 -5.790 7.120 425 1HH2 ARG 69 1HH2 ARG 69 -2.257 -5.419 3.967 426 2HH2 ARG 69 2HH2 ARG 69 -3.146 -6.488 5.000 427 H LEU 70 H LEU 70 2.185 0.774 6.675 428 HA LEU 70 HA LEU 70 2.730 1.323 4.070 429 2HB LEU 70 2HB LEU 70 3.345 2.476 6.351 430 HG LEU 70 HG LEU 70 5.224 0.711 6.749 431 1HD1 LEU 70 1HD1 LEU 70 6.044 1.344 4.278 432 2HD1 LEU 70 2HD1 LEU 70 7.005 2.521 5.207 433 3HD1 LEU 70 3HD1 LEU 70 7.149 0.782 5.557 434 1HD2 LEU 70 1HD2 LEU 70 4.996 3.544 7.325 435 2HD2 LEU 70 2HD2 LEU 70 5.543 2.205 8.364 436 3HD2 LEU 70 3HD2 LEU 70 6.698 3.023 7.285 437 H GLU 71 H GLU 71 4.175 -1.178 6.176 438 HA GLU 71 HA GLU 71 6.170 -1.795 4.244 439 2HB GLU 71 2HB GLU 71 5.960 -2.187 6.946 440 2HG GLU 71 2HG GLU 71 4.309 -4.143 6.258 441 H MET 72 H MET 72 2.857 -2.758 4.975 442 HA MET 72 HA MET 72 2.857 -5.278 3.873 443 2HB MET 72 2HB MET 72 0.354 -4.054 3.250 444 2HG MET 72 2HG MET 72 -0.373 -5.102 5.433 445 1HE MET 72 1HE MET 72 -0.278 -7.560 6.133 446 2HE MET 72 2HE MET 72 -0.171 -8.880 4.944 447 3HE MET 72 3HE MET 72 1.301 -8.281 5.742 448 H TYR 73 H TYR 73 2.082 -2.080 2.326 449 HA TYR 73 HA TYR 73 2.110 -3.398 -0.277 450 2HB TYR 73 2HB TYR 73 1.742 -0.436 0.035 451 HD1 TYR 73 HD1 TYR 73 -0.548 -3.393 -0.344 452 HD2 TYR 73 HD2 TYR 73 1.083 0.145 -2.112 453 HE1 TYR 73 HE1 TYR 73 -2.029 -3.720 -2.384 454 HE2 TYR 73 HE2 TYR 73 -0.403 -0.196 -4.147 455 HH TYR 73 HH TYR 73 -1.664 -1.688 -5.222 456 H CYS 74 H CYS 74 4.144 -1.539 1.855 457 HA CYS 74 HA CYS 74 5.662 0.128 0.817 458 2HB CYS 74 2HB CYS 74 7.364 -2.254 1.170 459 H ALA 75 H ALA 75 4.371 -0.469 -1.488 460 HA ALA 75 HA ALA 75 5.444 -2.207 -3.289 461 1HB ALA 75 1HB ALA 75 3.721 0.084 -3.274 462 2HB ALA 75 2HB ALA 75 4.854 0.254 -4.635 463 3HB ALA 75 3HB ALA 75 3.841 -1.204 -4.497 464 HA PRO 76 HA PRO 76 9.356 -0.708 -4.363 465 2HB PRO 76 2HB PRO 76 9.760 -2.470 -5.789 466 2HG PRO 76 2HG PRO 76 7.868 -3.461 -6.657 467 2HD PRO 76 2HD PRO 76 6.332 -2.889 -5.045 468 H LEU 77 H LEU 77 8.491 1.485 -3.749 469 HA LEU 77 HA LEU 77 7.526 3.316 -5.400 470 2HB LEU 77 2HB LEU 77 8.673 3.364 -2.972 471 HG LEU 77 HG LEU 77 10.931 3.870 -4.401 472 1HD1 LEU 77 1HD1 LEU 77 9.546 6.042 -5.120 473 2HD1 LEU 77 2HD1 LEU 77 10.245 6.652 -3.600 474 3HD1 LEU 77 3HD1 LEU 77 11.312 6.052 -4.893 475 1HD2 LEU 77 1HD2 LEU 77 10.498 3.540 -1.887 476 2HD2 LEU 77 2HD2 LEU 77 11.903 4.515 -2.379 477 3HD2 LEU 77 3HD2 LEU 77 10.420 5.316 -1.807 478 H LYS 78 H LYS 78 8.327 4.885 -6.933 479 HA LYS 78 HA LYS 78 10.610 3.815 -8.424 480 2HB LYS 78 2HB LYS 78 8.218 5.472 -9.256 481 2HG LYS 78 2HG LYS 78 10.368 4.499 -11.151 482 2HD LYS 78 2HD LYS 78 7.885 5.785 -11.447 483 2HE LYS 78 2HE LYS 78 8.928 7.922 -10.669 484 1HZ LYS 78 1HZ LYS 78 10.957 7.060 -12.466 485 2HZ LYS 78 2HZ LYS 78 10.512 8.610 -12.720 486 3HZ LYS 78 3HZ LYS 78 11.039 8.143 -11.247 487 HA PRO 79 HA PRO 79 12.875 7.323 -7.307 488 2HB PRO 79 2HB PRO 79 14.869 6.230 -7.673 489 2HG PRO 79 2HG PRO 79 14.718 4.389 -9.056 490 2HD PRO 79 2HD PRO 79 12.501 3.849 -8.774 491 H ALA 80 H ALA 80 11.177 8.833 -7.716 492 HA ALA 80 HA ALA 80 11.045 9.888 -10.376 493 1HB ALA 80 1HB ALA 80 9.823 10.777 -7.731 494 2HB ALA 80 2HB ALA 80 9.406 11.442 -9.328 495 3HB ALA 80 3HB ALA 80 9.054 9.738 -8.956 496 H LYS 81 H LYS 81 10.815 12.663 -9.902 497 HA LYS 81 HA LYS 81 12.872 13.778 -8.425 498 2HB LYS 81 2HB LYS 81 13.813 13.811 -11.250 499 2HG LYS 81 2HG LYS 81 14.972 15.112 -9.494 500 2HD LYS 81 2HD LYS 81 16.210 13.016 -7.985 501 2HE LYS 81 2HE LYS 81 14.667 14.177 -6.142 502 1HZ LYS 81 1HZ LYS 81 16.828 15.415 -7.678 503 2HZ LYS 81 2HZ LYS 81 16.184 16.149 -6.369 504 3HZ LYS 81 3HZ LYS 81 16.912 14.695 -6.215 505 H SER 82 H SER 82 10.104 14.194 -9.063 506 HA SER 82 HA SER 82 9.224 15.725 -10.895 507 2HB SER 82 2HB SER 82 9.085 16.817 -8.060 508 HG SER 82 HG SER 82 7.121 16.563 -10.178 509 H ALA 83 H ALA 83 9.735 17.564 -12.052 510 HA ALA 83 HA ALA 83 12.095 19.016 -11.232 511 1HB ALA 83 1HB ALA 83 11.706 18.230 -13.578 512 2HB ALA 83 2HB ALA 83 10.311 19.332 -13.680 513 3HB ALA 83 3HB ALA 83 11.950 19.989 -13.461 Start of MODEL 15 1 H MET 1 H MET 1 -10.539 10.355 -8.248 2 HA MET 1 HA MET 1 -8.053 11.136 -7.960 3 2HB MET 1 2HB MET 1 -9.075 8.754 -7.876 4 2HG MET 1 2HG MET 1 -9.364 9.125 -10.623 5 1HE MET 1 1HE MET 1 -7.219 6.670 -8.795 6 2HE MET 1 2HE MET 1 -7.377 5.588 -10.200 7 3HE MET 1 3HE MET 1 -5.812 6.354 -9.837 8 H PHE 2 H PHE 2 -9.640 12.147 -10.591 9 HA PHE 2 HA PHE 2 -8.758 11.797 -12.912 10 2HB PHE 2 2HB PHE 2 -8.255 14.297 -13.108 11 HD1 PHE 2 HD1 PHE 2 -10.114 14.213 -9.953 12 HD2 PHE 2 HD2 PHE 2 -10.417 14.116 -14.184 13 HE1 PHE 2 HE1 PHE 2 -12.577 14.662 -9.786 14 HE2 PHE 2 HE2 PHE 2 -12.881 14.566 -14.017 15 HZ PHE 2 HZ PHE 2 -13.931 14.833 -11.820 16 HA PRO 3 HA PRO 3 -4.444 11.095 -12.781 17 2HB PRO 3 2HB PRO 3 -4.618 9.226 -14.115 18 2HG PRO 3 2HG PRO 3 -6.615 9.040 -15.255 19 2HD PRO 3 2HD PRO 3 -7.978 10.304 -13.902 20 H ALA 4 H ALA 4 -5.177 12.333 -15.999 21 HA ALA 4 HA ALA 4 -3.166 13.743 -16.672 22 1HB ALA 4 1HB ALA 4 -6.037 14.220 -16.798 23 2HB ALA 4 2HB ALA 4 -5.132 15.752 -16.800 24 3HB ALA 4 3HB ALA 4 -4.786 14.512 -18.030 25 H MET 5 H MET 5 -5.423 15.186 -14.206 26 HA MET 5 HA MET 5 -3.202 16.863 -13.385 27 2HB MET 5 2HB MET 5 -5.308 17.811 -11.951 28 2HG MET 5 2HG MET 5 -5.956 19.178 -14.050 29 1HE MET 5 1HE MET 5 -5.663 20.903 -12.717 30 2HE MET 5 2HE MET 5 -4.777 20.306 -11.294 31 3HE MET 5 3HE MET 5 -4.161 21.707 -12.203 32 HA PRO 6 HA PRO 6 -2.826 14.871 -9.547 33 2HB PRO 6 2HB PRO 6 -1.084 16.221 -8.881 34 2HG PRO 6 2HG PRO 6 -1.047 18.304 -9.873 35 2HD PRO 6 2HD PRO 6 -2.221 17.860 -11.798 36 H LEU 7 H LEU 7 -4.247 13.749 -8.387 37 HA LEU 7 HA LEU 7 -6.744 15.059 -7.844 38 2HB LEU 7 2HB LEU 7 -6.860 12.834 -8.607 39 HG LEU 7 HG LEU 7 -6.055 10.970 -6.953 40 1HD1 LEU 7 1HD1 LEU 7 -5.204 11.882 -9.413 41 2HD1 LEU 7 2HD1 LEU 7 -3.701 11.825 -8.463 42 3HD1 LEU 7 3HD1 LEU 7 -4.707 10.366 -8.625 43 1HD2 LEU 7 1HD2 LEU 7 -5.166 12.523 -5.260 44 2HD2 LEU 7 2HD2 LEU 7 -3.924 11.408 -5.879 45 3HD2 LEU 7 3HD2 LEU 7 -3.960 13.099 -6.437 46 H SER 8 H SER 8 -7.716 14.663 -5.526 47 HA SER 8 HA SER 8 -5.816 14.691 -3.432 48 2HB SER 8 2HB SER 8 -5.388 16.921 -3.465 49 HG SER 8 HG SER 8 -6.282 17.203 -5.597 50 H SER 9 H SER 9 -7.728 12.867 -3.682 51 HA SER 9 HA SER 9 -9.771 13.781 -1.821 52 2HB SER 9 2HB SER 9 -10.928 11.688 -3.340 53 HG SER 9 HG SER 9 -12.257 13.349 -2.702 54 H LEU 10 H LEU 10 -8.859 12.810 0.019 55 HA LEU 10 HA LEU 10 -8.747 11.074 1.444 56 2HB LEU 10 2HB LEU 10 -8.615 8.936 -0.597 57 HG LEU 10 HG LEU 10 -9.633 7.645 0.925 58 1HD1 LEU 10 1HD1 LEU 10 -7.838 8.984 2.172 59 2HD1 LEU 10 2HD1 LEU 10 -9.194 9.838 2.947 60 3HD1 LEU 10 3HD1 LEU 10 -9.023 8.077 3.142 61 1HD2 LEU 10 1HD2 LEU 10 -11.777 8.904 0.535 62 2HD2 LEU 10 2HD2 LEU 10 -11.606 8.168 2.146 63 3HD2 LEU 10 3HD2 LEU 10 -11.355 9.918 1.936 64 H PHE 11 H PHE 11 -6.646 12.623 0.045 65 HA PHE 11 HA PHE 11 -4.445 11.050 0.936 66 2HB PHE 11 2HB PHE 11 -4.815 11.813 -2.023 67 HD1 PHE 11 HD1 PHE 11 -2.439 11.243 0.581 68 HD2 PHE 11 HD2 PHE 11 -3.094 10.752 -3.584 69 HE1 PHE 11 HE1 PHE 11 0.034 11.014 0.219 70 HE2 PHE 11 HE2 PHE 11 -0.620 10.523 -3.945 71 HZ PHE 11 HZ PHE 11 0.914 10.657 -2.039 72 H VAL 12 H VAL 12 -5.915 13.746 1.215 73 HA VAL 12 HA VAL 12 -4.254 15.741 0.155 74 HB VAL 12 HB VAL 12 -6.555 16.080 0.903 75 1HG1 VAL 12 1HG1 VAL 12 -6.356 14.557 2.917 76 2HG1 VAL 12 2HG1 VAL 12 -5.535 15.898 3.752 77 3HG1 VAL 12 3HG1 VAL 12 -7.216 16.091 3.195 78 1HG2 VAL 12 1HG2 VAL 12 -4.991 17.992 0.760 79 2HG2 VAL 12 2HG2 VAL 12 -6.237 18.229 2.008 80 3HG2 VAL 12 3HG2 VAL 12 -4.582 17.770 2.477 81 H ASN 13 H ASN 13 -2.098 14.788 0.546 82 HA ASN 13 HA ASN 13 -0.950 13.978 2.721 83 2HB ASN 13 2HB ASN 13 0.404 16.326 1.349 84 1HD2 ASN 13 2HD2 ASN 13 2.600 16.067 1.215 85 2HD2 ASN 13 1HD2 ASN 13 3.484 14.855 2.080 86 H GLY 14 H GLY 14 -1.090 17.548 1.947 87 1HA GLY 14 1HA GLY 14 -0.587 19.275 3.414 88 2HA GLY 14 2HA GLY 14 -2.186 18.777 3.929 89 HA PRO 15 HA PRO 15 0.131 18.373 7.702 90 2HB PRO 15 2HB PRO 15 -0.872 20.168 8.737 91 2HG PRO 15 2HG PRO 15 -2.736 20.986 7.653 92 2HD PRO 15 2HD PRO 15 -2.309 20.273 5.511 93 H ARG 16 H ARG 16 -0.579 17.225 9.959 94 HA ARG 16 HA ARG 16 -1.219 14.600 8.970 95 2HB ARG 16 2HB ARG 16 0.657 14.482 10.394 96 2HG ARG 16 2HG ARG 16 0.283 15.668 12.812 97 2HD ARG 16 2HD ARG 16 1.515 16.539 10.234 98 HE ARG 16 HE ARG 16 0.446 18.534 12.046 99 1HH1 ARG 16 1HH1 ARG 16 3.258 17.770 10.072 100 2HH1 ARG 16 2HH1 ARG 16 3.726 19.426 9.871 101 1HH2 ARG 16 1HH2 ARG 16 1.063 20.718 11.782 102 2HH2 ARG 16 2HH2 ARG 16 2.469 21.114 10.851 103 H THR 17 H THR 17 -3.064 17.135 9.748 104 HA THR 17 HA THR 17 -4.869 15.687 11.556 105 HB THR 17 HB THR 17 -4.987 18.615 10.697 106 HG1 THR 17 HG1 THR 17 -3.654 17.293 12.955 107 1HG2 THR 17 1HG2 THR 17 -6.635 17.033 12.364 108 2HG2 THR 17 2HG2 THR 17 -5.548 17.877 13.492 109 3HG2 THR 17 3HG2 THR 17 -6.552 18.812 12.359 110 H LEU 18 H LEU 18 -4.390 15.178 8.574 111 HA LEU 18 HA LEU 18 -7.061 15.872 7.609 112 2HB LEU 18 2HB LEU 18 -6.041 14.981 5.424 113 HG LEU 18 HG LEU 18 -4.540 17.074 5.138 114 1HD1 LEU 18 1HD1 LEU 18 -7.371 16.663 5.093 115 2HD1 LEU 18 2HD1 LEU 18 -7.038 18.324 5.637 116 3HD1 LEU 18 3HD1 LEU 18 -6.374 17.744 4.091 117 1HD2 LEU 18 1HD2 LEU 18 -5.786 17.649 7.837 118 2HD2 LEU 18 2HD2 LEU 18 -4.055 17.568 7.432 119 3HD2 LEU 18 3HD2 LEU 18 -5.060 18.883 6.780 120 H CYS 19 H CYS 19 -6.867 13.586 5.636 121 HA CYS 19 HA CYS 19 -8.134 11.678 7.344 122 2HB CYS 19 2HB CYS 19 -7.582 10.913 4.554 123 H GLY 20 H GLY 20 -5.067 12.417 7.328 124 1HA GLY 20 1HA GLY 20 -3.463 10.966 8.273 125 2HA GLY 20 2HA GLY 20 -4.151 9.618 7.388 126 H ALA 21 H ALA 21 -1.720 12.055 7.412 127 HA ALA 21 HA ALA 21 -1.262 11.770 4.534 128 1HB ALA 21 1HB ALA 21 -1.376 14.033 5.865 129 2HB ALA 21 2HB ALA 21 0.273 13.603 6.376 130 3HB ALA 21 3HB ALA 21 -0.102 13.794 4.646 131 H GLU 22 H GLU 22 -0.508 10.257 7.434 132 HA GLU 22 HA GLU 22 2.263 9.959 7.121 133 2HB GLU 22 2HB GLU 22 0.422 8.011 8.557 134 2HG GLU 22 2HG GLU 22 2.992 9.030 9.700 135 H LEU 23 H LEU 23 -0.554 7.776 6.402 136 HA LEU 23 HA LEU 23 0.464 5.558 5.522 137 2HB LEU 23 2HB LEU 23 -1.656 5.470 4.912 138 HG LEU 23 HG LEU 23 -2.852 7.525 3.818 139 1HD1 LEU 23 1HD1 LEU 23 -2.832 6.445 6.316 140 2HD1 LEU 23 2HD1 LEU 23 -2.377 8.130 6.665 141 3HD1 LEU 23 3HD1 LEU 23 -3.889 7.778 5.793 142 1HD2 LEU 23 1HD2 LEU 23 -0.305 8.626 4.132 143 2HD2 LEU 23 2HD2 LEU 23 -1.811 9.487 3.733 144 3HD2 LEU 23 3HD2 LEU 23 -1.283 9.358 5.428 145 H VAL 24 H VAL 24 0.767 8.654 3.684 146 HA VAL 24 HA VAL 24 2.384 7.382 1.681 147 HB VAL 24 HB VAL 24 1.046 9.086 0.868 148 1HG1 VAL 24 1HG1 VAL 24 1.879 10.712 3.287 149 2HG1 VAL 24 2HG1 VAL 24 1.002 11.400 1.899 150 3HG1 VAL 24 3HG1 VAL 24 0.256 10.109 2.872 151 1HG2 VAL 24 1HG2 VAL 24 3.772 10.326 1.365 152 2HG2 VAL 24 2HG2 VAL 24 3.296 9.305 -0.012 153 3HG2 VAL 24 3HG2 VAL 24 2.579 10.923 0.187 154 H ASP 25 H ASP 25 2.849 9.601 4.493 155 HA ASP 25 HA ASP 25 5.551 9.999 4.066 156 2HB ASP 25 2HB ASP 25 5.593 10.665 6.475 157 H ALA 26 H ALA 26 3.639 7.431 5.675 158 HA ALA 26 HA ALA 26 5.685 6.223 7.132 159 1HB ALA 26 1HB ALA 26 3.173 5.858 7.285 160 2HB ALA 26 2HB ALA 26 3.310 4.849 5.826 161 3HB ALA 26 3HB ALA 26 4.160 4.378 7.317 162 H LEU 27 H LEU 27 4.380 5.469 3.823 163 HA LEU 27 HA LEU 27 6.385 3.532 3.333 164 2HB LEU 27 2HB LEU 27 5.491 3.491 1.092 165 HG LEU 27 HG LEU 27 3.739 3.273 3.399 166 1HD1 LEU 27 1HD1 LEU 27 2.654 5.041 1.668 167 2HD1 LEU 27 2HD1 LEU 27 2.069 3.513 0.967 168 3HD1 LEU 27 3HD1 LEU 27 1.707 3.909 2.664 169 1HD2 LEU 27 1HD2 LEU 27 4.744 1.396 2.146 170 2HD2 LEU 27 2HD2 LEU 27 2.970 1.285 2.251 171 3HD2 LEU 27 3HD2 LEU 27 3.740 1.821 0.738 172 H GLN 28 H GLN 28 6.399 6.964 3.457 173 HA GLN 28 HA GLN 28 8.497 7.173 1.493 174 2HB GLN 28 2HB GLN 28 7.923 9.573 3.107 175 2HG GLN 28 2HG GLN 28 8.495 8.793 0.356 176 1HE2 GLN 28 2HE2 GLN 28 7.827 11.635 -0.423 177 2HE2 GLN 28 1HE2 GLN 28 6.193 11.590 -0.995 178 H PHE 29 H PHE 29 8.174 6.382 4.784 179 HA PHE 29 HA PHE 29 10.804 7.497 5.429 180 2HB PHE 29 2HB PHE 29 8.267 7.231 6.764 181 HD1 PHE 29 HD1 PHE 29 11.411 6.176 8.449 182 HD2 PHE 29 HD2 PHE 29 7.356 5.257 7.606 183 HE1 PHE 29 HE1 PHE 29 11.518 4.241 10.045 184 HE2 PHE 29 HE2 PHE 29 7.462 3.322 9.201 185 HZ PHE 29 HZ PHE 29 9.541 2.837 10.402 186 H VAL 30 H VAL 30 8.846 4.474 5.320 187 HA VAL 30 HA VAL 30 11.230 2.951 6.030 188 HB VAL 30 HB VAL 30 8.347 2.643 6.294 189 1HG1 VAL 30 1HG1 VAL 30 9.935 0.260 5.282 190 2HG1 VAL 30 2HG1 VAL 30 8.294 0.193 5.966 191 3HG1 VAL 30 3HG1 VAL 30 8.589 1.070 4.445 192 1HG2 VAL 30 1HG2 VAL 30 10.504 2.505 7.936 193 2HG2 VAL 30 2HG2 VAL 30 8.919 1.789 8.312 194 3HG2 VAL 30 3HG2 VAL 30 10.216 0.774 7.637 195 H CYS 31 H CYS 31 8.856 3.505 3.385 196 HA CYS 31 HA CYS 31 10.053 1.542 1.713 197 2HB CYS 31 2HB CYS 31 8.520 3.526 0.277 198 H GLY 32 H GLY 32 10.494 4.968 2.492 199 1HA GLY 32 1HA GLY 32 12.750 5.789 2.002 200 2HA GLY 32 2HA GLY 32 12.563 5.146 0.382 201 H ASP 33 H ASP 33 12.603 7.986 2.010 202 HA ASP 33 HA ASP 33 10.583 9.512 1.770 203 2HB ASP 33 2HB ASP 33 11.985 11.341 1.193 204 H ARG 34 H ARG 34 12.161 7.903 -1.006 205 HA ARG 34 HA ARG 34 11.348 9.207 -3.135 206 2HB ARG 34 2HB ARG 34 11.004 6.917 -4.244 207 2HG ARG 34 2HG ARG 34 13.361 6.055 -3.319 208 2HD ARG 34 2HD ARG 34 12.534 8.001 -5.275 209 HE ARG 34 HE ARG 34 13.824 9.815 -4.555 210 1HH1 ARG 34 1HH1 ARG 34 15.600 6.835 -3.958 211 2HH1 ARG 34 2HH1 ARG 34 17.052 7.648 -3.475 212 1HH2 ARG 34 1HH2 ARG 34 15.738 10.886 -3.916 213 2HH2 ARG 34 2HH2 ARG 34 17.131 9.968 -3.450 214 H GLY 35 H GLY 35 9.263 7.627 -0.770 215 1HA GLY 35 1HA GLY 35 7.029 7.768 -0.476 216 2HA GLY 35 2HA GLY 35 6.921 8.839 -1.858 217 H PHE 36 H PHE 36 5.586 6.119 -0.799 218 HA PHE 36 HA PHE 36 5.818 4.696 -3.351 219 2HB PHE 36 2HB PHE 36 4.964 3.967 -0.494 220 HD1 PHE 36 HD1 PHE 36 6.153 1.693 -3.125 221 HD2 PHE 36 HD2 PHE 36 2.808 2.968 -0.846 222 HE1 PHE 36 HE1 PHE 36 4.860 -0.312 -3.901 223 HE2 PHE 36 HE2 PHE 36 1.515 0.962 -1.622 224 HZ PHE 36 HZ PHE 36 2.556 -0.655 -3.141 225 H TYR 37 H TYR 37 4.160 4.944 -4.765 226 HA TYR 37 HA TYR 37 2.101 6.419 -4.853 227 2HB TYR 37 2HB TYR 37 2.003 3.352 -5.150 228 HD1 TYR 37 HD1 TYR 37 -0.034 6.250 -5.124 229 HD2 TYR 37 HD2 TYR 37 0.642 2.620 -7.286 230 HE1 TYR 37 HE1 TYR 37 -2.382 6.380 -6.091 231 HE2 TYR 37 HE2 TYR 37 -1.708 2.762 -8.245 232 HH TYR 37 HH TYR 37 -3.459 5.435 -8.332 233 H PHE 38 H PHE 38 0.862 3.239 -3.827 234 HA PHE 38 HA PHE 38 0.225 3.490 -1.278 235 2HB PHE 38 2HB PHE 38 -2.292 4.569 -2.011 236 HD1 PHE 38 HD1 PHE 38 -0.034 4.218 0.237 237 HD2 PHE 38 HD2 PHE 38 -1.853 7.520 -1.709 238 HE1 PHE 38 HE1 PHE 38 0.442 5.658 2.237 239 HE2 PHE 38 HE2 PHE 38 -1.378 8.961 0.291 240 HZ PHE 38 HZ PHE 38 -0.235 8.013 2.240 241 H ASN 39 H ASN 39 -2.607 3.664 -3.439 242 HA ASN 39 HA ASN 39 -2.963 0.833 -2.966 243 2HB ASN 39 2HB ASN 39 -4.798 3.104 -3.835 244 1HD2 ASN 39 2HD2 ASN 39 -5.496 -0.125 -2.626 245 2HD2 ASN 39 1HD2 ASN 39 -6.476 -0.668 -3.945 246 H LYS 40 H LYS 40 -3.152 -0.662 -4.739 247 HA LYS 40 HA LYS 40 -2.312 0.444 -7.315 248 2HB LYS 40 2HB LYS 40 -2.114 -2.293 -7.521 249 2HG LYS 40 2HG LYS 40 -0.176 -0.110 -6.683 250 2HD LYS 40 2HD LYS 40 1.677 -1.683 -6.930 251 2HE LYS 40 2HE LYS 40 -0.217 -3.231 -5.153 252 1HZ LYS 40 1HZ LYS 40 2.349 -3.383 -5.439 253 2HZ LYS 40 2HZ LYS 40 2.352 -2.135 -4.385 254 3HZ LYS 40 3HZ LYS 40 1.662 -3.555 -3.967 255 HA PRO 41 HA PRO 41 -6.506 -0.282 -8.409 256 2HB PRO 41 2HB PRO 41 -6.857 1.899 -9.061 257 2HG PRO 41 2HG PRO 41 -4.936 3.151 -9.308 258 2HD PRO 41 2HD PRO 41 -3.513 1.993 -7.922 259 H THR 42 H THR 42 -5.044 -2.440 -8.676 260 HA THR 42 HA THR 42 -4.183 -3.325 -11.042 261 HB THR 42 HB THR 42 -6.007 -4.720 -9.016 262 HG1 THR 42 HG1 THR 42 -3.845 -5.335 -8.262 263 1HG2 THR 42 1HG2 THR 42 -5.783 -5.988 -11.230 264 2HG2 THR 42 2HG2 THR 42 -4.020 -5.958 -10.988 265 3HG2 THR 42 3HG2 THR 42 -5.063 -6.823 -9.833 266 H GLY 43 H GLY 43 -7.605 -2.692 -10.220 267 1HA GLY 43 1HA GLY 43 -9.050 -3.908 -12.085 268 2HA GLY 43 2HA GLY 43 -9.289 -2.220 -11.680 269 H TYR 44 H TYR 44 -9.746 -3.497 -14.289 270 HA TYR 44 HA TYR 44 -8.021 -1.745 -15.855 271 2HB TYR 44 2HB TYR 44 -8.674 -4.576 -16.776 272 HD1 TYR 44 HD1 TYR 44 -5.538 -2.598 -16.200 273 HD2 TYR 44 HD2 TYR 44 -8.124 -4.488 -19.036 274 HE1 TYR 44 HE1 TYR 44 -3.885 -2.084 -18.061 275 HE2 TYR 44 HE2 TYR 44 -6.461 -3.969 -20.888 276 HH TYR 44 HH TYR 44 -4.689 -2.748 -21.421 277 H GLY 45 H GLY 45 -8.889 -2.457 -18.400 278 1HA GLY 45 1HA GLY 45 -11.114 -1.058 -18.872 279 2HA GLY 45 2HA GLY 45 -10.668 -2.466 -19.815 280 H SER 46 H SER 46 -11.554 -4.599 -19.229 281 HA SER 46 HA SER 46 -14.191 -4.265 -18.127 282 2HB SER 46 2HB SER 46 -12.934 -6.764 -19.336 283 HG SER 46 HG SER 46 -15.701 -5.925 -19.219 284 H SER 47 H SER 47 -13.089 -3.849 -15.918 285 HA SER 47 HA SER 47 -13.292 -6.239 -14.435 286 2HB SER 47 2HB SER 47 -10.863 -5.655 -13.400 287 HG SER 47 HG SER 47 -11.522 -7.736 -14.297 288 H SER 48 H SER 48 -14.500 -5.504 -12.729 289 HA SER 48 HA SER 48 -13.539 -3.193 -11.321 290 2HB SER 48 2HB SER 48 -16.213 -3.297 -12.742 291 HG SER 48 HG SER 48 -16.675 -2.763 -10.519 292 H ARG 49 H ARG 49 -13.081 -4.920 -9.746 293 HA ARG 49 HA ARG 49 -15.274 -5.287 -8.015 294 2HB ARG 49 2HB ARG 49 -14.424 -7.975 -8.219 295 2HG ARG 49 2HG ARG 49 -16.883 -6.527 -9.296 296 2HD ARG 49 2HD ARG 49 -17.963 -8.777 -9.334 297 HE ARG 49 HE ARG 49 -17.157 -8.352 -11.529 298 1HH1 ARG 49 1HH1 ARG 49 -14.618 -9.676 -9.484 299 2HH1 ARG 49 2HH1 ARG 49 -13.554 -10.016 -10.806 300 1HH2 ARG 49 1HH2 ARG 49 -15.752 -8.801 -13.275 301 2HH2 ARG 49 2HH2 ARG 49 -14.203 -9.515 -12.977 302 H ARG 50 H ARG 50 -13.799 -4.174 -6.579 303 HA ARG 50 HA ARG 50 -12.095 -5.920 -5.200 304 2HB ARG 50 2HB ARG 50 -10.405 -5.503 -6.836 305 2HG ARG 50 2HG ARG 50 -10.449 -2.543 -6.781 306 2HD ARG 50 2HD ARG 50 -9.040 -3.736 -8.378 307 HE ARG 50 HE ARG 50 -11.456 -5.356 -8.864 308 1HH1 ARG 50 1HH1 ARG 50 -8.244 -4.467 -9.993 309 2HH1 ARG 50 2HH1 ARG 50 -8.053 -5.888 -10.965 310 1HH2 ARG 50 1HH2 ARG 50 -11.204 -7.232 -10.144 311 2HH2 ARG 50 2HH2 ARG 50 -9.748 -7.472 -11.051 312 H ALA 51 H ALA 51 -11.029 -4.719 -3.283 313 HA ALA 51 HA ALA 51 -12.771 -2.482 -2.539 314 1HB ALA 51 1HB ALA 51 -11.725 -4.862 -1.189 315 2HB ALA 51 2HB ALA 51 -11.408 -3.370 -0.269 316 3HB ALA 51 3HB ALA 51 -13.074 -3.795 -0.731 317 H CYS 52 H CYS 52 -9.601 -3.308 -3.591 318 HA CYS 52 HA CYS 52 -7.785 -2.103 -3.866 319 2HB CYS 52 2HB CYS 52 -8.076 0.475 -3.037 320 HG CYS 52 HG CYS 52 -9.406 0.894 -5.534 321 H GLN 53 H GLN 53 -8.196 -3.692 -1.521 322 HA GLN 53 HA GLN 53 -7.939 -2.758 0.894 323 2HB GLN 53 2HB GLN 53 -7.348 -5.153 -0.293 324 2HG GLN 53 2HG GLN 53 -4.770 -4.230 1.056 325 1HE2 GLN 53 2HE2 GLN 53 -5.578 -6.285 2.221 326 2HE2 GLN 53 1HE2 GLN 53 -5.017 -7.795 1.586 327 H THR 54 H THR 54 -5.416 -2.474 -1.637 328 HA THR 54 HA THR 54 -3.380 -1.508 0.063 329 HB THR 54 HB THR 54 -3.758 -0.926 -2.911 330 HG1 THR 54 HG1 THR 54 -3.383 -3.120 -3.185 331 1HG2 THR 54 1HG2 THR 54 -1.637 -0.370 -1.191 332 2HG2 THR 54 2HG2 THR 54 -1.201 -1.978 -1.820 333 3HG2 THR 54 3HG2 THR 54 -1.475 -0.627 -2.945 334 H GLY 55 H GLY 55 -6.116 -0.266 0.417 335 1HA GLY 55 1HA GLY 55 -5.778 2.463 -0.469 336 2HA GLY 55 2HA GLY 55 -7.072 1.801 0.512 337 H ILE 56 H ILE 56 -3.470 1.754 0.984 338 HA ILE 56 HA ILE 56 -3.502 2.068 3.688 339 HB ILE 56 HB ILE 56 -1.613 2.043 1.607 340 2HG1 ILE 56 2HG1 ILE 56 -0.893 2.141 4.528 341 1HG2 ILE 56 1HG2 ILE 56 -1.664 4.588 2.005 342 2HG2 ILE 56 2HG2 ILE 56 -0.844 4.219 3.541 343 3HG2 ILE 56 3HG2 ILE 56 -0.087 3.761 1.996 344 1HD1 ILE 56 1HD1 ILE 56 -2.909 0.434 3.267 345 2HD1 ILE 56 2HD1 ILE 56 -1.528 -0.521 3.853 346 3HD1 ILE 56 3HD1 ILE 56 -2.423 0.529 4.977 347 H VAL 57 H VAL 57 -4.754 4.239 1.405 348 HA VAL 57 HA VAL 57 -4.374 6.492 3.251 349 HB VAL 57 HB VAL 57 -5.452 7.377 0.806 350 1HG1 VAL 57 1HG1 VAL 57 -2.623 7.522 1.906 351 2HG1 VAL 57 2HG1 VAL 57 -3.277 8.541 0.600 352 3HG1 VAL 57 3HG1 VAL 57 -3.954 8.656 2.243 353 1HG2 VAL 57 1HG2 VAL 57 -3.204 5.378 0.406 354 2HG2 VAL 57 2HG2 VAL 57 -4.831 5.347 -0.318 355 3HG2 VAL 57 3HG2 VAL 57 -3.669 6.610 -0.791 356 H ASP 58 H ASP 58 -6.769 4.874 1.053 357 HA ASP 58 HA ASP 58 -8.896 6.258 2.332 358 2HB ASP 58 2HB ASP 58 -8.616 4.194 0.149 359 H GLU 59 H GLU 59 -7.184 3.154 2.547 360 HA GLU 59 HA GLU 59 -9.269 1.975 4.133 361 2HB GLU 59 2HB GLU 59 -7.637 0.023 4.230 362 2HG GLU 59 2HG GLU 59 -7.663 -0.237 1.590 363 H CYS 60 H CYS 60 -6.415 3.915 4.543 364 HA CYS 60 HA CYS 60 -5.782 2.959 7.152 365 2HB CYS 60 2HB CYS 60 -4.650 5.473 6.914 366 H CYS 61 H CYS 61 -7.596 5.693 5.647 367 HA CYS 61 HA CYS 61 -8.142 6.971 8.102 368 2HB CYS 61 2HB CYS 61 -10.057 7.443 5.936 369 H PHE 62 H PHE 62 -9.693 4.456 6.071 370 HA PHE 62 HA PHE 62 -12.042 4.428 7.753 371 2HB PHE 62 2HB PHE 62 -11.042 2.661 5.440 372 HD1 PHE 62 HD1 PHE 62 -13.975 3.719 7.461 373 HD2 PHE 62 HD2 PHE 62 -12.432 0.967 4.624 374 HE1 PHE 62 HE1 PHE 62 -16.054 2.330 7.678 375 HE2 PHE 62 HE2 PHE 62 -14.512 -0.423 4.841 376 HZ PHE 62 HZ PHE 62 -16.297 0.276 6.366 377 H ARG 63 H ARG 63 -9.200 2.336 6.966 378 HA ARG 63 HA ARG 63 -10.008 0.678 9.214 379 2HB ARG 63 2HB ARG 63 -7.852 -0.199 7.294 380 2HG ARG 63 2HG ARG 63 -9.502 -1.382 9.326 381 2HD ARG 63 2HD ARG 63 -9.786 -3.141 6.950 382 HE ARG 63 HE ARG 63 -11.010 -2.843 9.503 383 1HH1 ARG 63 2HH1 ARG 63 -11.936 -3.542 6.181 384 2HH1 ARG 63 1HH1 ARG 63 -13.324 -4.478 6.630 385 1HH2 ARG 63 2HH2 ARG 63 -12.839 -4.077 10.097 386 2HH2 ARG 63 1HH2 ARG 63 -13.840 -4.784 8.872 387 H SER 64 H SER 64 -8.929 1.320 11.063 388 HA SER 64 HA SER 64 -7.168 2.887 11.727 389 2HB SER 64 2HB SER 64 -6.123 1.395 13.334 390 HG SER 64 HG SER 64 -7.950 0.649 14.253 391 H CYS 65 H CYS 65 -5.383 3.858 10.845 392 HA CYS 65 HA CYS 65 -3.934 2.525 8.796 393 2HB CYS 65 2HB CYS 65 -3.289 5.153 10.143 394 H ASP 66 H ASP 66 -2.901 0.693 9.742 395 HA ASP 66 HA ASP 66 -1.229 1.218 12.037 396 2HB ASP 66 2HB ASP 66 -0.837 -1.427 11.490 397 H LEU 67 H LEU 67 0.705 2.190 11.292 398 HA LEU 67 HA LEU 67 1.916 2.219 8.982 399 2HB LEU 67 2HB LEU 67 3.142 1.782 11.695 400 HG LEU 67 HG LEU 67 4.595 1.495 9.320 401 1HD1 LEU 67 1HD1 LEU 67 4.198 4.254 9.707 402 2HD1 LEU 67 2HD1 LEU 67 5.864 3.914 10.236 403 3HD1 LEU 67 3HD1 LEU 67 5.339 3.455 8.598 404 1HD2 LEU 67 1HD2 LEU 67 5.032 0.890 11.826 405 2HD2 LEU 67 2HD2 LEU 67 6.397 1.164 10.718 406 3HD2 LEU 67 3HD2 LEU 67 5.899 2.445 11.848 407 H ARG 68 H ARG 68 1.705 -0.679 11.066 408 HA ARG 68 HA ARG 68 3.515 -2.309 10.101 409 2HB ARG 68 2HB ARG 68 0.579 -3.146 10.278 410 2HG ARG 68 2HG ARG 68 3.166 -4.556 10.159 411 2HD ARG 68 2HD ARG 68 1.957 -6.281 11.898 412 HE ARG 68 HE ARG 68 4.142 -4.342 12.194 413 1HH1 ARG 68 1HH1 ARG 68 2.347 -6.943 13.743 414 2HH1 ARG 68 2HH1 ARG 68 3.622 -7.338 14.846 415 1HH2 ARG 68 1HH2 ARG 68 5.825 -4.863 13.650 416 2HH2 ARG 68 2HH2 ARG 68 5.614 -6.147 14.793 417 H ARG 69 H ARG 69 0.795 -0.954 8.288 418 HA ARG 69 HA ARG 69 0.924 -2.852 6.204 419 2HB ARG 69 2HB ARG 69 -0.225 -0.366 5.288 420 2HG ARG 69 2HG ARG 69 -1.231 -3.085 6.157 421 2HD ARG 69 2HD ARG 69 -3.294 -1.390 4.932 422 HE ARG 69 HE ARG 69 -3.305 -3.642 6.479 423 1HH1 ARG 69 1HH1 ARG 69 -4.633 -0.431 7.029 424 2HH1 ARG 69 2HH1 ARG 69 -5.928 -0.997 8.031 425 1HH2 ARG 69 1HH2 ARG 69 -5.013 -4.392 7.800 426 2HH2 ARG 69 2HH2 ARG 69 -6.145 -3.266 8.472 427 H LEU 70 H LEU 70 1.960 0.611 6.613 428 HA LEU 70 HA LEU 70 2.965 1.188 4.204 429 2HB LEU 70 2HB LEU 70 3.285 2.105 6.860 430 HG LEU 70 HG LEU 70 5.524 3.198 6.625 431 1HD1 LEU 70 1HD1 LEU 70 4.865 0.628 7.636 432 2HD1 LEU 70 2HD1 LEU 70 6.500 0.531 6.940 433 3HD1 LEU 70 3HD1 LEU 70 6.133 1.749 8.186 434 1HD2 LEU 70 1HD2 LEU 70 5.531 2.108 4.094 435 2HD2 LEU 70 2HD2 LEU 70 6.929 2.819 4.935 436 3HD2 LEU 70 3HD2 LEU 70 6.663 1.060 4.983 437 H GLU 71 H GLU 71 4.441 -0.991 6.650 438 HA GLU 71 HA GLU 71 6.753 -1.363 5.033 439 2HB GLU 71 2HB GLU 71 6.924 -1.493 7.475 440 2HG GLU 71 2HG GLU 71 4.901 -3.740 7.127 441 H MET 72 H MET 72 3.619 -2.972 5.584 442 HA MET 72 HA MET 72 4.396 -5.349 4.255 443 2HB MET 72 2HB MET 72 1.582 -5.193 4.206 444 2HG MET 72 2HG MET 72 1.676 -6.540 6.293 445 1HE MET 72 1HE MET 72 2.792 -8.862 6.724 446 2HE MET 72 2HE MET 72 1.461 -9.041 5.555 447 3HE MET 72 3HE MET 72 2.999 -9.900 5.292 448 H TYR 73 H TYR 73 2.662 -2.320 3.377 449 HA TYR 73 HA TYR 73 2.005 -3.278 0.758 450 2HB TYR 73 2HB TYR 73 1.630 -0.595 0.678 451 HD1 TYR 73 HD1 TYR 73 0.543 -3.624 2.412 452 HD2 TYR 73 HD2 TYR 73 -0.633 0.294 1.158 453 HE1 TYR 73 HE1 TYR 73 -1.897 -4.229 2.785 454 HE2 TYR 73 HE2 TYR 73 -3.070 -0.325 1.535 455 HH TYR 73 HH TYR 73 -4.175 -2.303 3.272 456 H CYS 74 H CYS 74 4.804 -1.894 2.297 457 HA CYS 74 HA CYS 74 5.910 -0.291 0.447 458 2HB CYS 74 2HB CYS 74 7.944 -2.103 1.346 459 H ALA 75 H ALA 75 4.418 -1.841 -1.240 460 HA ALA 75 HA ALA 75 5.843 -4.030 -2.336 461 1HB ALA 75 1HB ALA 75 3.329 -2.579 -2.745 462 2HB ALA 75 2HB ALA 75 4.078 -3.079 -4.280 463 3HB ALA 75 3HB ALA 75 3.713 -4.293 -3.031 464 HA PRO 76 HA PRO 76 8.387 -2.033 -5.213 465 2HB PRO 76 2HB PRO 76 9.120 -4.005 -6.149 466 2HG PRO 76 2HG PRO 76 7.637 -5.763 -5.976 467 2HD PRO 76 2HD PRO 76 6.423 -5.092 -4.142 468 H LEU 77 H LEU 77 8.257 -0.014 -5.937 469 HA LEU 77 HA LEU 77 6.763 0.486 -8.276 470 2HB LEU 77 2HB LEU 77 5.563 2.112 -6.150 471 HG LEU 77 HG LEU 77 4.880 1.402 -8.768 472 1HD1 LEU 77 1HD1 LEU 77 3.370 -0.230 -6.788 473 2HD1 LEU 77 2HD1 LEU 77 2.447 0.526 -8.108 474 3HD1 LEU 77 3HD1 LEU 77 3.796 -0.574 -8.482 475 1HD2 LEU 77 1HD2 LEU 77 4.308 3.391 -7.039 476 2HD2 LEU 77 2HD2 LEU 77 3.454 3.139 -8.580 477 3HD2 LEU 77 3HD2 LEU 77 2.744 2.542 -7.062 478 H LYS 78 H LYS 78 7.998 1.954 -9.307 479 HA LYS 78 HA LYS 78 10.136 3.218 -8.111 480 2HB LYS 78 2HB LYS 78 10.608 3.626 -10.243 481 2HG LYS 78 2HG LYS 78 7.717 2.817 -10.812 482 2HD LYS 78 2HD LYS 78 9.452 3.969 -12.598 483 2HE LYS 78 2HE LYS 78 9.743 1.134 -13.445 484 1HZ LYS 78 1HZ LYS 78 10.684 3.382 -14.319 485 2HZ LYS 78 2HZ LYS 78 11.893 3.065 -13.271 486 3HZ LYS 78 3HZ LYS 78 11.545 2.003 -14.460 487 HA PRO 79 HA PRO 79 8.593 6.877 -6.398 488 2HB PRO 79 2HB PRO 79 10.677 7.780 -6.024 489 2HG PRO 79 2HG PRO 79 12.314 7.063 -7.483 490 2HD PRO 79 2HD PRO 79 11.421 5.050 -8.141 491 H ALA 80 H ALA 80 7.584 9.082 -6.581 492 HA ALA 80 HA ALA 80 6.815 9.820 -9.226 493 1HB ALA 80 1HB ALA 80 5.367 7.737 -8.391 494 2HB ALA 80 2HB ALA 80 4.478 9.013 -7.525 495 3HB ALA 80 3HB ALA 80 4.629 9.081 -9.297 496 H LYS 81 H LYS 81 7.090 11.984 -9.016 497 HA LYS 81 HA LYS 81 5.452 13.514 -7.392 498 2HB LYS 81 2HB LYS 81 8.190 13.003 -6.205 499 2HG LYS 81 2HG LYS 81 6.673 14.764 -4.579 500 2HD LYS 81 2HD LYS 81 8.743 16.039 -6.267 501 2HE LYS 81 2HE LYS 81 8.379 15.432 -3.300 502 1HZ LYS 81 1HZ LYS 81 10.703 16.180 -4.732 503 2HZ LYS 81 2HZ LYS 81 10.303 17.298 -3.611 504 3HZ LYS 81 3HZ LYS 81 10.547 15.746 -3.166 505 H SER 82 H SER 82 6.350 13.328 -10.113 506 HA SER 82 HA SER 82 8.286 14.636 -11.121 507 2HB SER 82 2HB SER 82 5.431 15.535 -11.706 508 HG SER 82 HG SER 82 7.839 15.410 -13.311 509 H ALA 83 H ALA 83 5.538 16.446 -9.565 510 HA ALA 83 HA ALA 83 6.960 18.923 -9.721 511 1HB ALA 83 1HB ALA 83 4.309 18.116 -9.458 512 2HB ALA 83 2HB ALA 83 4.700 18.771 -7.849 513 3HB ALA 83 3HB ALA 83 4.914 19.782 -9.298
Contact the webmaster for help, if required. Monday, May 20, 2024 1:39:30 PM GMT (wattos1)