NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19873 | 2evn | 6338 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 6.593 -0.507 -19.123 2 2H MET 1 HT2 MET 1 5.894 -1.183 -20.511 3 3H MET 1 HT3 MET 1 5.966 -2.084 -19.079 4 HA MET 1 HA MET 1 4.381 0.370 -19.549 5 1HB MET 1 HB2 MET 1 3.417 -1.609 -20.595 6 2HB MET 1 HB1 MET 1 3.566 -2.506 -19.090 7 1HG MET 1 HG2 MET 1 1.960 -1.023 -18.030 8 2HG MET 1 HG1 MET 1 1.832 -0.081 -19.514 9 1HE MET 1 HE1 MET 1 0.445 -4.474 -19.140 10 2HE MET 1 HE2 MET 1 1.193 -3.568 -17.826 11 3HE MET 1 HE3 MET 1 2.144 -4.012 -19.244 12 H ALA 2 HN ALA 2 4.979 -2.297 -17.250 13 HA ALA 2 HA ALA 2 4.243 -0.443 -15.073 14 1HB ALA 2 HB1 ALA 2 3.595 -2.409 -13.780 15 2HB ALA 2 HB2 ALA 2 4.066 -3.455 -15.119 16 3HB ALA 2 HB3 ALA 2 2.712 -2.339 -15.304 17 H THR 3 HN THR 3 6.892 -0.886 -16.390 18 HA THR 3 HA THR 3 8.519 -2.269 -14.468 19 HB THR 3 HB THR 3 9.378 -0.356 -16.652 20 HG1 THR 3 HG1 THR 3 9.187 -3.212 -16.681 21 1HG2 THR 3 HG21 THR 3 11.539 -1.509 -16.490 22 2HG2 THR 3 HG22 THR 3 10.922 -2.474 -15.148 23 3HG2 THR 3 HG23 THR 3 11.108 -0.730 -14.968 24 H GLU 4 HN GLU 4 8.196 -1.426 -12.541 25 HA GLU 4 HA GLU 4 8.587 1.351 -11.972 26 1HB GLU 4 HB2 GLU 4 8.238 -1.137 -10.318 27 2HB GLU 4 HB1 GLU 4 8.700 0.383 -9.566 28 1HG GLU 4 HG2 GLU 4 6.257 0.100 -11.287 29 2HG GLU 4 HG1 GLU 4 6.245 -0.194 -9.548 30 HA PRO 5 HA PRO 5 13.099 1.371 -11.698 31 1HB PRO 5 HB2 PRO 5 12.288 3.425 -9.681 32 2HB PRO 5 HB1 PRO 5 13.554 3.497 -10.913 33 1HG PRO 5 HG2 PRO 5 11.240 4.754 -11.285 34 2HG PRO 5 HG1 PRO 5 12.047 3.921 -12.626 35 1HD PRO 5 HD2 PRO 5 9.639 3.115 -11.071 36 2HD PRO 5 HD1 PRO 5 10.043 2.811 -12.773 37 HA PRO 6 HA PRO 6 12.926 0.033 -7.105 38 1HB PRO 6 HB2 PRO 6 10.593 -0.106 -5.793 39 2HB PRO 6 HB1 PRO 6 11.499 1.406 -5.892 40 1HG PRO 6 HG2 PRO 6 9.084 0.539 -7.404 41 2HG PRO 6 HG1 PRO 6 9.507 2.145 -6.788 42 1HD PRO 6 HD2 PRO 6 9.825 1.279 -9.423 43 2HD PRO 6 HD1 PRO 6 10.657 2.671 -8.677 44 H LYS 7 HN LYS 7 12.659 -2.100 -6.317 45 HA LYS 7 HA LYS 7 11.058 -3.831 -8.063 46 1HB LYS 7 HB2 LYS 7 13.832 -3.989 -7.289 47 2HB LYS 7 HB1 LYS 7 12.971 -5.398 -6.690 48 1HG LYS 7 HG2 LYS 7 13.493 -6.222 -8.714 49 2HG LYS 7 HG1 LYS 7 12.038 -5.355 -9.202 50 1HD LYS 7 HD2 LYS 7 14.842 -4.245 -9.363 51 2HD LYS 7 HD1 LYS 7 13.972 -4.977 -10.711 52 1HE LYS 7 HE2 LYS 7 13.052 -2.556 -9.168 53 2HE LYS 7 HE1 LYS 7 13.905 -2.501 -10.710 54 1HZ LYS 7 HZ1 LYS 7 12.066 -3.734 -11.711 55 2HZ LYS 7 HZ2 LYS 7 11.536 -2.274 -11.030 56 3HZ LYS 7 HZ3 LYS 7 11.241 -3.738 -10.229 57 H ILE 8 HN ILE 8 9.227 -3.723 -6.823 58 HA ILE 8 HA ILE 8 9.457 -4.025 -3.968 59 HB ILE 8 HB ILE 8 6.868 -3.889 -5.507 60 1HG1 ILE 8 HG12 ILE 8 8.345 -1.970 -6.151 61 2HG1 ILE 8 HG11 ILE 8 6.914 -1.463 -5.262 62 1HG2 ILE 8 HG21 ILE 8 6.661 -4.543 -3.197 63 2HG2 ILE 8 HG22 ILE 8 6.089 -2.883 -3.368 64 3HG2 ILE 8 HG23 ILE 8 7.687 -3.200 -2.686 65 1HD1 ILE 8 HD11 ILE 8 9.657 -1.801 -4.077 66 2HD1 ILE 8 HD12 ILE 8 8.224 -1.168 -3.263 67 3HD1 ILE 8 HD13 ILE 8 8.952 -0.270 -4.596 68 H VAL 9 HN VAL 9 9.620 -5.907 -3.080 69 HA VAL 9 HA VAL 9 8.930 -8.335 -4.536 70 HB VAL 9 HB VAL 9 10.332 -7.983 -1.879 71 1HG1 VAL 9 HG11 VAL 9 9.397 -10.209 -2.162 72 2HG1 VAL 9 HG12 VAL 9 11.157 -10.249 -2.240 73 3HG1 VAL 9 HG13 VAL 9 10.205 -10.365 -3.722 74 1HG2 VAL 9 HG21 VAL 9 12.396 -8.393 -3.182 75 2HG2 VAL 9 HG22 VAL 9 11.588 -6.875 -3.571 76 3HG2 VAL 9 HG23 VAL 9 11.438 -8.256 -4.657 77 H TRP 10 HN TRP 10 7.363 -9.759 -3.910 78 HA TRP 10 HA TRP 10 5.701 -8.941 -1.656 79 1HB TRP 10 HB2 TRP 10 4.513 -9.328 -3.738 80 2HB TRP 10 HB1 TRP 10 5.177 -10.957 -3.845 81 HD1 TRP 10 HD1 TRP 10 3.829 -9.624 -0.521 82 HE1 TRP 10 HE1 TRP 10 1.734 -10.954 0.132 83 HE3 TRP 10 HE3 TRP 10 3.217 -12.312 -4.825 84 HZ2 TRP 10 HZ2 TRP 10 0.033 -12.884 -1.033 85 HZ3 TRP 10 HZ3 TRP 10 1.328 -13.881 -4.975 86 HH2 TRP 10 HH2 TRP 10 -0.233 -14.161 -3.117 87 H ASN 11 HN ASN 11 5.923 -9.850 0.207 88 HA ASN 11 HA ASN 11 7.082 -12.542 0.434 89 1HB ASN 11 HB2 ASN 11 8.020 -10.599 1.793 90 2HB ASN 11 HB1 ASN 11 6.494 -10.594 2.666 91 1HD2 ASN 11 HD21 ASN 11 9.258 -11.188 3.525 92 2HD2 ASN 11 HD22 ASN 11 9.182 -12.741 4.280 93 H GLU 12 HN GLU 12 5.326 -13.888 0.022 94 HA GLU 12 HA GLU 12 2.693 -13.253 0.880 95 1HB GLU 12 HB2 GLU 12 2.083 -15.495 0.137 96 2HB GLU 12 HB1 GLU 12 3.088 -14.690 -1.056 97 1HG GLU 12 HG2 GLU 12 5.017 -15.975 -0.292 98 2HG GLU 12 HG1 GLU 12 4.005 -16.778 0.909 99 H GLY 13 HN GLY 13 5.347 -14.787 2.426 100 1HA GLY 13 HA2 GLY 13 3.888 -16.182 4.432 101 2HA GLY 13 HA1 GLY 13 5.578 -15.703 4.527 102 H LYS 14 HN LYS 14 5.305 -12.949 4.260 103 HA LYS 14 HA LYS 14 4.193 -12.284 6.881 104 1HB LYS 14 HB2 LYS 14 5.845 -10.563 5.023 105 2HB LYS 14 HB1 LYS 14 5.460 -10.216 6.702 106 1HG LYS 14 HG2 LYS 14 7.190 -12.458 5.689 107 2HG LYS 14 HG1 LYS 14 7.738 -10.986 6.490 108 1HD LYS 14 HD2 LYS 14 6.542 -11.648 8.520 109 2HD LYS 14 HD1 LYS 14 5.989 -13.118 7.715 110 1HE LYS 14 HE2 LYS 14 7.877 -13.695 9.064 111 2HE LYS 14 HE1 LYS 14 8.375 -13.740 7.371 112 1HZ LYS 14 HZ1 LYS 14 10.019 -12.659 8.787 113 2HZ LYS 14 HZ2 LYS 14 8.888 -11.479 9.232 114 3HZ LYS 14 HZ3 LYS 14 9.409 -11.594 7.621 115 H ARG 15 HN ARG 15 3.143 -12.360 3.786 116 HA ARG 15 HA ARG 15 1.503 -11.369 2.555 117 1HB ARG 15 HB2 ARG 15 0.521 -10.123 5.118 118 2HB ARG 15 HB1 ARG 15 -0.414 -10.535 3.691 119 1HG ARG 15 HG2 ARG 15 -0.273 -12.859 4.172 120 2HG ARG 15 HG1 ARG 15 0.911 -12.579 5.455 121 1HD ARG 15 HD2 ARG 15 -2.002 -11.807 5.416 122 2HD ARG 15 HD1 ARG 15 -1.192 -12.924 6.515 123 HE ARG 15 HE ARG 15 -0.647 -10.021 6.484 124 1HH1 ARG 15 HH11 ARG 15 -1.224 -13.022 8.196 125 2HH1 ARG 15 HH12 ARG 15 -1.015 -12.313 9.772 126 1HH2 ARG 15 HH21 ARG 15 -0.345 -9.078 8.553 127 2HH2 ARG 15 HH22 ARG 15 -0.503 -10.070 9.973 128 H ARG 16 HN ARG 16 3.923 -9.968 2.590 129 HA ARG 16 HA ARG 16 3.033 -7.169 2.757 130 1HB ARG 16 HB2 ARG 16 4.859 -6.497 4.036 131 2HB ARG 16 HB1 ARG 16 4.413 -8.039 4.752 132 1HG ARG 16 HG2 ARG 16 6.210 -9.153 3.585 133 2HG ARG 16 HG1 ARG 16 6.630 -7.653 2.749 134 1HD ARG 16 HD2 ARG 16 6.987 -6.636 5.035 135 2HD ARG 16 HD1 ARG 16 6.858 -8.269 5.685 136 HE ARG 16 HE ARG 16 8.777 -8.318 3.649 137 1HH1 ARG 16 HH11 ARG 16 8.314 -6.958 6.845 138 2HH1 ARG 16 HH12 ARG 16 10.021 -6.858 7.186 139 1HH2 ARG 16 HH21 ARG 16 11.014 -8.163 4.081 140 2HH2 ARG 16 HH22 ARG 16 11.560 -7.519 5.601 141 H PHE 17 HN PHE 17 4.409 -5.651 1.628 142 HA PHE 17 HA PHE 17 5.923 -6.845 -0.598 143 1HB PHE 17 HB2 PHE 17 4.489 -4.178 -0.554 144 2HB PHE 17 HB1 PHE 17 5.438 -4.807 -1.894 145 HD1 PHE 17 HD1 PHE 17 2.231 -4.325 -0.716 146 HD2 PHE 17 HD2 PHE 17 4.637 -7.251 -2.653 147 HE1 PHE 17 HE1 PHE 17 0.207 -5.377 -1.638 148 HE2 PHE 17 HE2 PHE 17 2.618 -8.303 -3.585 149 HZ PHE 17 HZ PHE 17 0.396 -7.364 -3.079 150 H GLU 18 HN GLU 18 8.017 -6.431 -0.581 151 HA GLU 18 HA GLU 18 9.003 -4.206 1.076 152 1HB GLU 18 HB2 GLU 18 11.162 -5.800 0.884 153 2HB GLU 18 HB1 GLU 18 9.980 -5.935 2.182 154 1HG GLU 18 HG2 GLU 18 8.812 -7.654 0.739 155 2HG GLU 18 HG1 GLU 18 10.245 -7.619 -0.289 156 H THR 19 HN THR 19 10.104 -2.658 0.108 157 HA THR 19 HA THR 19 10.321 -2.583 -2.709 158 HB THR 19 HB THR 19 10.055 -0.577 -1.249 159 HG1 THR 19 HG1 THR 19 12.362 0.136 -2.559 160 1HG2 THR 19 HG21 THR 19 11.674 -1.200 0.489 161 2HG2 THR 19 HG22 THR 19 11.991 0.404 -0.170 162 3HG2 THR 19 HG23 THR 19 12.988 -0.962 -0.661 163 H GLU 20 HN GLU 20 12.575 -1.729 -3.612 164 HA GLU 20 HA GLU 20 14.301 -3.950 -3.742 165 1HB GLU 20 HB2 GLU 20 15.840 -2.137 -4.848 166 2HB GLU 20 HB1 GLU 20 14.369 -2.671 -5.639 167 1HG GLU 20 HG2 GLU 20 14.587 -0.270 -5.798 168 2HG GLU 20 HG1 GLU 20 13.192 -0.702 -4.816 169 H ASP 21 HN ASP 21 13.972 -1.728 -1.374 170 HA ASP 21 HA ASP 21 16.775 -1.806 -0.499 171 1HB ASP 21 HB2 ASP 21 15.501 0.384 -0.680 172 2HB ASP 21 HB1 ASP 21 14.501 -0.185 0.655 173 H HIS 22 HN HIS 22 13.622 -2.971 0.121 174 HA HIS 22 HA HIS 22 12.747 -4.515 1.493 175 1HB HIS 22 HB2 HIS 22 15.635 -5.116 2.135 176 2HB HIS 22 HB1 HIS 22 14.273 -6.082 2.696 177 HD1 HIS 22 HD1 HIS 22 13.160 -7.673 1.015 178 HD2 HIS 22 HD2 HIS 22 16.164 -5.308 -0.650 179 HE1 HIS 22 HE1 HIS 22 13.597 -8.622 -1.273 180 HE2 HIS 22 HE2 HIS 22 15.510 -7.270 -2.202 181 H GLU 23 HN GLU 23 14.427 -1.891 2.689 182 HA GLU 23 HA GLU 23 13.741 -2.382 5.469 183 1HB GLU 23 HB2 GLU 23 14.817 0.124 4.160 184 2HB GLU 23 HB1 GLU 23 14.717 -0.185 5.889 185 1HG GLU 23 HG2 GLU 23 16.421 -1.671 3.901 186 2HG GLU 23 HG1 GLU 23 16.978 -0.497 5.097 187 H ALA 24 HN ALA 24 12.542 -0.762 2.671 188 HA ALA 24 HA ALA 24 10.282 0.342 4.152 189 1HB ALA 24 HB1 ALA 24 9.658 1.409 2.038 190 2HB ALA 24 HB2 ALA 24 10.995 0.589 1.230 191 3HB ALA 24 HB3 ALA 24 11.324 1.794 2.474 192 H PHE 25 HN PHE 25 8.372 -0.682 4.208 193 HA PHE 25 HA PHE 25 7.684 -2.576 2.151 194 1HB PHE 25 HB2 PHE 25 7.281 -4.433 3.743 195 2HB PHE 25 HB1 PHE 25 8.984 -4.029 3.560 196 HD1 PHE 25 HD1 PHE 25 6.106 -4.009 5.811 197 HD2 PHE 25 HD2 PHE 25 10.234 -3.068 5.389 198 HE1 PHE 25 HE1 PHE 25 6.306 -3.807 8.257 199 HE2 PHE 25 HE2 PHE 25 10.442 -2.867 7.830 200 HZ PHE 25 HZ PHE 25 8.476 -3.237 9.266 201 H ILE 26 HN ILE 26 5.569 -3.443 2.374 202 HA ILE 26 HA ILE 26 3.770 -1.867 4.080 203 HB ILE 26 HB ILE 26 3.937 -1.774 1.268 204 1HG1 ILE 26 HG12 ILE 26 3.142 -0.071 2.946 205 2HG1 ILE 26 HG11 ILE 26 2.216 -0.156 1.448 206 1HG2 ILE 26 HG21 ILE 26 2.705 -3.871 1.099 207 2HG2 ILE 26 HG22 ILE 26 1.742 -2.521 0.501 208 3HG2 ILE 26 HG23 ILE 26 1.411 -3.201 2.094 209 1HD1 ILE 26 HD11 ILE 26 0.789 0.086 3.400 210 2HD1 ILE 26 HD12 ILE 26 1.438 -1.418 4.059 211 3HD1 ILE 26 HD13 ILE 26 0.499 -1.440 2.566 212 H GLU 27 HN GLU 27 2.390 -3.114 5.277 213 HA GLU 27 HA GLU 27 2.338 -5.992 4.632 214 1HB GLU 27 HB2 GLU 27 3.132 -5.294 6.926 215 2HB GLU 27 HB1 GLU 27 1.515 -4.669 7.236 216 1HG GLU 27 HG2 GLU 27 0.776 -7.088 6.569 217 2HG GLU 27 HG1 GLU 27 2.444 -7.493 6.958 218 H TYR 28 HN TYR 28 0.265 -7.111 4.852 219 HA TYR 28 HA TYR 28 -2.081 -5.580 5.404 220 1HB TYR 28 HB2 TYR 28 -3.251 -5.961 3.298 221 2HB TYR 28 HB1 TYR 28 -1.793 -5.023 3.019 222 HD1 TYR 28 HD1 TYR 28 -3.405 -8.296 2.529 223 HD2 TYR 28 HD2 TYR 28 -0.001 -5.894 1.669 224 HE1 TYR 28 HE1 TYR 28 -2.748 -9.873 0.761 225 HE2 TYR 28 HE2 TYR 28 0.667 -7.471 -0.095 226 HH TYR 28 HH TYR 28 0.325 -9.736 -0.778 227 H LYS 29 HN LYS 29 -4.018 -6.932 5.481 228 HA LYS 29 HA LYS 29 -3.527 -9.809 5.330 229 1HB LYS 29 HB2 LYS 29 -4.777 -10.190 7.442 230 2HB LYS 29 HB1 LYS 29 -3.248 -9.362 7.688 231 1HG LYS 29 HG2 LYS 29 -5.666 -7.683 7.377 232 2HG LYS 29 HG1 LYS 29 -5.499 -8.607 8.870 233 1HD LYS 29 HD2 LYS 29 -3.375 -6.774 7.767 234 2HD LYS 29 HD1 LYS 29 -4.565 -6.292 8.979 235 1HE LYS 29 HE2 LYS 29 -3.738 -8.080 10.463 236 2HE LYS 29 HE1 LYS 29 -2.523 -8.496 9.257 237 1HZ LYS 29 HZ1 LYS 29 -1.434 -6.450 9.565 238 2HZ LYS 29 HZ2 LYS 29 -1.761 -7.029 11.123 239 3HZ LYS 29 HZ3 LYS 29 -2.720 -5.798 10.464 240 H MET 30 HN MET 30 -5.338 -11.006 4.737 241 HA MET 30 HA MET 30 -7.381 -9.376 3.456 242 1HB MET 30 HB2 MET 30 -6.969 -12.380 3.333 243 2HB MET 30 HB1 MET 30 -7.995 -11.412 2.283 244 1HG MET 30 HG2 MET 30 -6.060 -10.291 1.369 245 2HG MET 30 HG1 MET 30 -5.005 -11.190 2.459 246 1HE MET 30 HE1 MET 30 -6.438 -14.091 2.380 247 2HE MET 30 HE2 MET 30 -4.694 -13.832 2.354 248 3HE MET 30 HE3 MET 30 -5.449 -14.863 1.139 249 H ARG 31 HN ARG 31 -9.027 -8.824 4.647 250 HA ARG 31 HA ARG 31 -9.880 -10.408 6.940 251 1HB ARG 31 HB2 ARG 31 -10.506 -7.648 5.916 252 2HB ARG 31 HB1 ARG 31 -11.434 -8.376 7.218 253 1HG ARG 31 HG2 ARG 31 -9.625 -8.351 8.685 254 2HG ARG 31 HG1 ARG 31 -8.452 -8.169 7.379 255 1HD ARG 31 HD2 ARG 31 -8.929 -6.112 8.791 256 2HD ARG 31 HD1 ARG 31 -9.007 -5.917 7.041 257 HE ARG 31 HE ARG 31 -11.569 -6.537 8.093 258 1HH1 ARG 31 HH11 ARG 31 -9.249 -3.900 7.854 259 2HH1 ARG 31 HH12 ARG 31 -10.478 -2.676 7.919 260 1HH2 ARG 31 HH21 ARG 31 -13.153 -4.916 8.159 261 2HH2 ARG 31 HH22 ARG 31 -12.682 -3.238 8.087 262 H ASN 32 HN ASN 32 -12.297 -10.512 7.298 263 HA ASN 32 HA ASN 32 -14.313 -11.381 6.707 264 1HB ASN 32 HB2 ASN 32 -14.463 -9.119 5.625 265 2HB ASN 32 HB1 ASN 32 -13.887 -9.846 4.128 266 1HD2 ASN 32 HD21 ASN 32 -15.781 -9.217 3.084 267 2HD2 ASN 32 HD22 ASN 32 -17.277 -10.063 3.315 268 H ASN 33 HN ASN 33 -12.201 -13.057 6.377 269 HA ASN 33 HA ASN 33 -11.758 -15.133 5.578 270 1HB ASN 33 HB2 ASN 33 -14.240 -15.357 5.350 271 2HB ASN 33 HB1 ASN 33 -14.105 -14.755 3.703 272 1HD2 ASN 33 HD21 ASN 33 -14.829 -16.554 2.713 273 2HD2 ASN 33 HD22 ASN 33 -13.958 -18.048 2.676 274 H GLY 34 HN GLY 34 -11.385 -12.346 3.966 275 1HA GLY 34 HA2 GLY 34 -9.344 -12.235 2.616 276 2HA GLY 34 HA1 GLY 34 -9.897 -13.676 1.788 277 H LYS 35 HN LYS 35 -12.150 -11.167 2.582 278 HA LYS 35 HA LYS 35 -12.499 -10.642 -0.273 279 1HB LYS 35 HB2 LYS 35 -14.278 -10.093 2.106 280 2HB LYS 35 HB1 LYS 35 -14.668 -9.629 0.453 281 1HG LYS 35 HG2 LYS 35 -14.126 -12.445 1.335 282 2HG LYS 35 HG1 LYS 35 -15.740 -11.741 1.186 283 1HD LYS 35 HD2 LYS 35 -15.472 -11.418 -1.157 284 2HD LYS 35 HD1 LYS 35 -13.754 -11.805 -1.073 285 1HE LYS 35 HE2 LYS 35 -15.608 -13.886 -0.114 286 2HE LYS 35 HE1 LYS 35 -15.641 -13.558 -1.846 287 1HZ LYS 35 HZ1 LYS 35 -13.202 -13.879 -1.856 288 2HZ LYS 35 HZ2 LYS 35 -14.059 -15.274 -1.410 289 3HZ LYS 35 HZ3 LYS 35 -13.275 -14.353 -0.226 290 H VAL 36 HN VAL 36 -11.447 -9.138 2.645 291 HA VAL 36 HA VAL 36 -11.123 -6.606 1.183 292 HB VAL 36 HB VAL 36 -11.993 -6.985 4.048 293 1HG1 VAL 36 HG11 VAL 36 -10.291 -5.230 3.954 294 2HG1 VAL 36 HG12 VAL 36 -11.884 -4.547 4.278 295 3HG1 VAL 36 HG13 VAL 36 -11.184 -4.425 2.664 296 1HG2 VAL 36 HG21 VAL 36 -13.796 -7.088 2.434 297 2HG2 VAL 36 HG22 VAL 36 -13.267 -5.570 1.712 298 3HG2 VAL 36 HG23 VAL 36 -13.899 -5.587 3.358 299 H MET 37 HN MET 37 -9.045 -6.059 1.006 300 HA MET 37 HA MET 37 -7.114 -7.347 2.762 301 1HB MET 37 HB2 MET 37 -6.852 -5.760 0.216 302 2HB MET 37 HB1 MET 37 -5.451 -6.125 1.222 303 1HG MET 37 HG2 MET 37 -6.017 -8.535 1.025 304 2HG MET 37 HG1 MET 37 -7.294 -8.095 -0.103 305 1HE MET 37 HE1 MET 37 -4.890 -10.169 -0.600 306 2HE MET 37 HE2 MET 37 -4.465 -9.792 -2.269 307 3HE MET 37 HE3 MET 37 -6.160 -9.876 -1.793 308 H ASP 38 HN ASP 38 -6.616 -6.451 4.561 309 HA ASP 38 HA ASP 38 -6.970 -3.597 4.974 310 1HB ASP 38 HB2 ASP 38 -7.696 -5.383 6.623 311 2HB ASP 38 HB1 ASP 38 -5.995 -5.714 6.910 312 H LEU 39 HN LEU 39 -5.398 -2.419 4.174 313 HA LEU 39 HA LEU 39 -2.695 -3.401 3.990 314 1HB LEU 39 HB2 LEU 39 -4.096 -0.896 3.114 315 2HB LEU 39 HB1 LEU 39 -2.343 -0.953 3.141 316 HG LEU 39 HG LEU 39 -2.270 -2.636 1.487 317 1HD1 LEU 39 HD11 LEU 39 -4.268 -3.655 0.503 318 2HD1 LEU 39 HD12 LEU 39 -5.257 -2.855 1.726 319 3HD1 LEU 39 HD13 LEU 39 -4.070 -4.069 2.207 320 1HD2 LEU 39 HD21 LEU 39 -2.634 -0.375 0.670 321 2HD2 LEU 39 HD22 LEU 39 -4.379 -0.615 0.754 322 3HD2 LEU 39 HD23 LEU 39 -3.414 -1.554 -0.384 323 H VAL 40 HN VAL 40 -1.302 -3.256 5.545 324 HA VAL 40 HA VAL 40 -1.864 -1.346 7.713 325 HB VAL 40 HB VAL 40 -0.653 -4.106 8.003 326 1HG1 VAL 40 HG11 VAL 40 -1.622 -2.127 10.056 327 2HG1 VAL 40 HG12 VAL 40 0.055 -2.571 9.735 328 3HG1 VAL 40 HG13 VAL 40 -1.063 -3.764 10.395 329 1HG2 VAL 40 HG21 VAL 40 -2.770 -4.804 8.950 330 2HG2 VAL 40 HG22 VAL 40 -2.991 -4.235 7.294 331 3HG2 VAL 40 HG23 VAL 40 -3.450 -3.205 8.650 332 H HIS 41 HN HIS 41 -0.260 0.107 7.872 333 HA HIS 41 HA HIS 41 1.793 0.891 8.401 334 1HB HIS 41 HB2 HIS 41 2.006 -1.355 9.579 335 2HB HIS 41 HB1 HIS 41 2.856 -1.921 8.153 336 HD1 HIS 41 HD1 HIS 41 3.415 -0.414 11.360 337 HD2 HIS 41 HD2 HIS 41 5.331 -0.300 7.668 338 HE1 HIS 41 HE1 HIS 41 5.770 0.324 11.841 339 HE2 HIS 41 HE2 HIS 41 6.970 0.110 9.634 340 H THR 42 HN THR 42 2.164 2.125 6.669 341 HA THR 42 HA THR 42 3.815 0.994 4.527 342 HB THR 42 HB THR 42 2.111 2.449 3.643 343 HG1 THR 42 HG1 THR 42 3.494 3.441 2.410 344 1HG2 THR 42 HG21 THR 42 1.854 4.784 4.410 345 2HG2 THR 42 HG22 THR 42 3.033 4.469 5.687 346 3HG2 THR 42 HG23 THR 42 1.491 3.611 5.678 347 H TYR 43 HN TYR 43 6.012 1.240 4.672 348 HA TYR 43 HA TYR 43 7.010 3.467 6.275 349 1HB TYR 43 HB2 TYR 43 6.870 1.075 7.481 350 2HB TYR 43 HB1 TYR 43 8.436 0.905 6.690 351 HD1 TYR 43 HD1 TYR 43 6.494 2.924 9.078 352 HD2 TYR 43 HD2 TYR 43 10.351 2.112 7.476 353 HE1 TYR 43 HE1 TYR 43 7.506 4.258 10.870 354 HE2 TYR 43 HE2 TYR 43 11.383 3.440 9.269 355 HH TYR 43 HH TYR 43 9.875 4.261 12.050 356 H VAL 44 HN VAL 44 9.114 4.089 5.817 357 HA VAL 44 HA VAL 44 10.613 2.804 3.726 358 HB VAL 44 HB VAL 44 8.924 4.079 2.430 359 1HG1 VAL 44 HG11 VAL 44 8.495 5.893 3.974 360 2HG1 VAL 44 HG12 VAL 44 8.989 6.528 2.405 361 3HG1 VAL 44 HG13 VAL 44 10.134 6.504 3.748 362 1HG2 VAL 44 HG21 VAL 44 11.723 5.170 2.203 363 2HG2 VAL 44 HG22 VAL 44 10.485 5.232 0.949 364 3HG2 VAL 44 HG23 VAL 44 11.126 3.677 1.479 365 HA PRO 45 HA PRO 45 13.775 4.623 6.277 366 1HB PRO 45 HB2 PRO 45 15.856 4.459 4.502 367 2HB PRO 45 HB1 PRO 45 15.264 3.098 5.462 368 1HG PRO 45 HG2 PRO 45 14.650 3.820 2.621 369 2HG PRO 45 HG1 PRO 45 15.011 2.230 3.320 370 1HD PRO 45 HD2 PRO 45 12.499 2.971 2.769 371 2HD PRO 45 HD1 PRO 45 12.880 1.997 4.205 372 H SER 46 HN SER 46 15.640 6.238 5.975 373 HA SER 46 HA SER 46 14.519 8.746 5.479 374 1HB SER 46 HB2 SER 46 17.052 9.410 5.584 375 2HB SER 46 HB1 SER 46 16.272 8.726 7.013 376 HG SER 46 HG SER 46 18.394 7.798 6.242 377 H PHE 47 HN PHE 47 16.333 6.612 3.415 378 HA PHE 47 HA PHE 47 17.305 8.446 1.538 379 1HB PHE 47 HB2 PHE 47 16.524 5.582 0.986 380 2HB PHE 47 HB1 PHE 47 17.716 6.547 0.121 381 HD1 PHE 47 HD1 PHE 47 17.173 4.226 2.743 382 HD2 PHE 47 HD2 PHE 47 19.747 7.369 1.481 383 HE1 PHE 47 HE1 PHE 47 18.920 3.402 4.266 384 HE2 PHE 47 HE2 PHE 47 21.500 6.547 2.999 385 HZ PHE 47 HZ PHE 47 21.088 4.562 4.391 386 H LYS 48 HN LYS 48 14.150 6.939 1.847 387 HA LYS 48 HA LYS 48 13.313 8.334 -0.598 388 1HB LYS 48 HB2 LYS 48 12.824 5.431 0.086 389 2HB LYS 48 HB1 LYS 48 11.870 6.297 -1.113 390 1HG LYS 48 HG2 LYS 48 13.677 6.558 -2.555 391 2HG LYS 48 HG1 LYS 48 14.857 6.241 -1.286 392 1HD LYS 48 HD2 LYS 48 12.937 4.164 -2.323 393 2HD LYS 48 HD1 LYS 48 14.555 4.405 -2.980 394 1HE LYS 48 HE2 LYS 48 15.167 4.215 -0.382 395 2HE LYS 48 HE1 LYS 48 13.701 3.238 -0.397 396 1HZ LYS 48 HZ1 LYS 48 16.086 2.821 -2.122 397 2HZ LYS 48 HZ2 LYS 48 14.675 1.875 -2.159 398 3HZ LYS 48 HZ3 LYS 48 15.659 1.885 -0.781 399 H ARG 49 HN ARG 49 12.975 9.168 2.075 400 HA ARG 49 HA ARG 49 10.611 8.538 3.352 401 1HB ARG 49 HB2 ARG 49 12.027 11.196 3.128 402 2HB ARG 49 HB1 ARG 49 10.685 10.902 4.225 403 1HG ARG 49 HG2 ARG 49 12.995 9.055 4.367 404 2HG ARG 49 HG1 ARG 49 13.215 10.697 4.973 405 1HD ARG 49 HD2 ARG 49 12.533 9.240 6.776 406 2HD ARG 49 HD1 ARG 49 11.257 10.404 6.428 407 HE ARG 49 HE ARG 49 10.943 7.866 5.091 408 1HH1 ARG 49 HH11 ARG 49 10.326 9.679 8.021 409 2HH1 ARG 49 HH12 ARG 49 8.944 8.725 8.477 410 1HH2 ARG 49 HH21 ARG 49 9.116 6.603 5.708 411 2HH2 ARG 49 HH22 ARG 49 8.262 6.993 7.165 412 H GLY 50 HN GLY 50 10.975 11.460 1.327 413 1HA GLY 50 HA2 GLY 50 8.066 11.357 0.873 414 2HA GLY 50 HA1 GLY 50 9.061 12.804 0.787 415 H LEU 51 HN LEU 51 9.802 9.682 -0.651 416 HA LEU 51 HA LEU 51 9.942 11.015 -3.248 417 1HB LEU 51 HB2 LEU 51 11.128 8.497 -2.150 418 2HB LEU 51 HB1 LEU 51 10.998 8.730 -3.883 419 HG LEU 51 HG LEU 51 12.543 10.456 -1.937 420 1HD1 LEU 51 HD11 LEU 51 14.487 9.697 -3.210 421 2HD1 LEU 51 HD12 LEU 51 13.440 8.669 -4.191 422 3HD1 LEU 51 HD13 LEU 51 13.629 8.347 -2.468 423 1HD2 LEU 51 HD21 LEU 51 11.509 11.820 -3.694 424 2HD2 LEU 51 HD22 LEU 51 12.225 10.774 -4.921 425 3HD2 LEU 51 HD23 LEU 51 13.262 11.742 -3.872 426 H GLY 52 HN GLY 52 7.589 9.471 -1.633 427 1HA GLY 52 HA2 GLY 52 5.532 8.914 -2.665 428 2HA GLY 52 HA1 GLY 52 6.408 8.653 -4.167 429 H LEU 53 HN LEU 53 8.409 7.031 -2.621 430 HA LEU 53 HA LEU 53 7.570 4.572 -3.534 431 1HB LEU 53 HB2 LEU 53 9.896 5.265 -3.024 432 2HB LEU 53 HB1 LEU 53 9.544 5.125 -1.317 433 HG LEU 53 HG LEU 53 10.837 3.219 -2.442 434 1HD1 LEU 53 HD11 LEU 53 8.343 2.586 -0.876 435 2HD1 LEU 53 HD12 LEU 53 9.914 3.028 -0.204 436 3HD1 LEU 53 HD13 LEU 53 9.726 1.512 -1.086 437 1HD2 LEU 53 HD21 LEU 53 8.063 2.559 -3.415 438 2HD2 LEU 53 HD22 LEU 53 9.474 1.504 -3.518 439 3HD2 LEU 53 HD23 LEU 53 9.436 3.018 -4.423 440 H ALA 54 HN ALA 54 7.372 5.826 -0.206 441 HA ALA 54 HA ALA 54 6.361 3.596 1.077 442 1HB ALA 54 HB1 ALA 54 5.601 6.471 1.575 443 2HB ALA 54 HB2 ALA 54 7.030 5.660 2.216 444 3HB ALA 54 HB3 ALA 54 5.421 5.135 2.712 445 H SER 55 HN SER 55 4.568 6.138 -0.620 446 HA SER 55 HA SER 55 2.010 5.002 -0.283 447 1HB SER 55 HB2 SER 55 2.908 6.830 -2.517 448 2HB SER 55 HB1 SER 55 1.281 6.660 -1.855 449 HG SER 55 HG SER 55 2.618 7.288 0.210 450 H HIS 56 HN HIS 56 4.547 4.564 -2.700 451 HA HIS 56 HA HIS 56 2.973 3.179 -4.606 452 1HB HIS 56 HB2 HIS 56 5.941 3.264 -4.111 453 2HB HIS 56 HB1 HIS 56 5.254 2.156 -5.291 454 HD1 HIS 56 HD1 HIS 56 5.560 3.097 -7.567 455 HD2 HIS 56 HD2 HIS 56 4.623 6.043 -4.772 456 HE1 HIS 56 HE1 HIS 56 5.396 5.245 -8.862 457 HE2 HIS 56 HE2 HIS 56 4.973 7.034 -7.141 458 H LEU 57 HN LEU 57 4.570 2.202 -1.682 459 HA LEU 57 HA LEU 57 4.351 -0.595 -2.016 460 1HB LEU 57 HB2 LEU 57 4.287 1.051 0.518 461 2HB LEU 57 HB1 LEU 57 4.541 -0.682 0.441 462 HG LEU 57 HG LEU 57 6.396 1.343 -0.807 463 1HD1 LEU 57 HD11 LEU 57 6.648 -0.139 1.803 464 2HD1 LEU 57 HD12 LEU 57 6.350 1.590 1.619 465 3HD1 LEU 57 HD13 LEU 57 7.877 0.894 1.072 466 1HD2 LEU 57 HD21 LEU 57 6.654 -1.618 -0.295 467 2HD2 LEU 57 HD22 LEU 57 7.944 -0.572 -0.886 468 3HD2 LEU 57 HD23 LEU 57 6.502 -0.831 -1.867 469 H CYS 58 HN CYS 58 2.231 1.820 -0.526 470 HA CYS 58 HA CYS 58 0.095 0.104 0.122 471 1HB CYS 58 HB2 CYS 58 0.296 2.416 0.980 472 2HB CYS 58 HB1 CYS 58 0.001 3.039 -0.645 473 HG CYS 58 HG CYS 58 -2.512 1.162 -0.188 474 H VAL 59 HN VAL 59 0.833 1.937 -2.806 475 HA VAL 59 HA VAL 59 -1.490 1.282 -4.252 476 HB VAL 59 HB VAL 59 1.272 2.033 -5.216 477 1HG1 VAL 59 HG11 VAL 59 0.128 0.821 -6.993 478 2HG1 VAL 59 HG12 VAL 59 0.214 2.539 -7.381 479 3HG1 VAL 59 HG13 VAL 59 -1.296 1.842 -6.793 480 1HG2 VAL 59 HG21 VAL 59 0.255 4.221 -5.607 481 2HG2 VAL 59 HG22 VAL 59 0.133 3.747 -3.912 482 3HG2 VAL 59 HG23 VAL 59 -1.275 3.623 -4.966 483 H ALA 60 HN ALA 60 1.549 -0.416 -3.788 484 HA ALA 60 HA ALA 60 1.239 -2.365 -5.780 485 1HB ALA 60 HB1 ALA 60 2.595 -2.661 -3.106 486 2HB ALA 60 HB2 ALA 60 3.336 -2.001 -4.564 487 3HB ALA 60 HB3 ALA 60 2.831 -3.690 -4.518 488 H ALA 61 HN ALA 61 -0.039 -2.201 -2.461 489 HA ALA 61 HA ALA 61 -1.194 -4.806 -2.590 490 1HB ALA 61 HB1 ALA 61 -0.721 -3.728 -0.460 491 2HB ALA 61 HB2 ALA 61 -2.433 -4.129 -0.597 492 3HB ALA 61 HB3 ALA 61 -1.894 -2.465 -0.827 493 H PHE 62 HN PHE 62 -2.239 -1.553 -3.418 494 HA PHE 62 HA PHE 62 -4.924 -2.094 -4.003 495 1HB PHE 62 HB2 PHE 62 -2.984 -0.102 -5.168 496 2HB PHE 62 HB1 PHE 62 -4.650 -0.214 -5.720 497 HD1 PHE 62 HD1 PHE 62 -6.078 -0.647 -3.199 498 HD2 PHE 62 HD2 PHE 62 -2.843 1.960 -4.115 499 HE1 PHE 62 HE1 PHE 62 -6.813 0.893 -1.419 500 HE2 PHE 62 HE2 PHE 62 -3.578 3.517 -2.346 501 HZ PHE 62 HZ PHE 62 -5.560 2.968 -0.988 502 H GLU 63 HN GLU 63 -2.097 -2.073 -6.157 503 HA GLU 63 HA GLU 63 -3.269 -2.964 -8.498 504 1HB GLU 63 HB2 GLU 63 -0.525 -3.391 -7.342 505 2HB GLU 63 HB1 GLU 63 -0.961 -4.006 -8.929 506 1HG GLU 63 HG2 GLU 63 -1.219 -1.118 -8.156 507 2HG GLU 63 HG1 GLU 63 0.230 -1.803 -8.888 508 H HIS 64 HN HIS 64 -2.269 -4.794 -5.695 509 HA HIS 64 HA HIS 64 -2.436 -7.355 -6.935 510 1HB HIS 64 HB2 HIS 64 -1.071 -6.784 -4.894 511 2HB HIS 64 HB1 HIS 64 -2.577 -6.722 -3.983 512 HD1 HIS 64 HD1 HIS 64 -0.631 -9.201 -6.121 513 HD2 HIS 64 HD2 HIS 64 -3.296 -9.120 -2.924 514 HE1 HIS 64 HE1 HIS 64 -0.813 -11.583 -5.323 515 HE2 HIS 64 HE2 HIS 64 -2.564 -11.530 -3.517 516 H ALA 65 HN ALA 65 -4.542 -5.593 -4.672 517 HA ALA 65 HA ALA 65 -6.516 -7.650 -4.646 518 1HB ALA 65 HB1 ALA 65 -6.759 -4.787 -3.755 519 2HB ALA 65 HB2 ALA 65 -6.197 -6.131 -2.761 520 3HB ALA 65 HB3 ALA 65 -7.859 -6.104 -3.352 521 H SER 66 HN SER 66 -6.366 -4.431 -6.210 522 HA SER 66 HA SER 66 -8.874 -4.408 -7.362 523 1HB SER 66 HB2 SER 66 -7.877 -2.971 -9.152 524 2HB SER 66 HB1 SER 66 -7.447 -2.473 -7.516 525 HG SER 66 HG SER 66 -5.420 -3.145 -7.814 526 H SER 67 HN SER 67 -5.929 -5.859 -8.762 527 HA SER 67 HA SER 67 -7.194 -6.652 -11.168 528 1HB SER 67 HB2 SER 67 -4.718 -6.361 -10.867 529 2HB SER 67 HB1 SER 67 -4.706 -7.858 -9.938 530 HG SER 67 HG SER 67 -5.909 -7.929 -12.461 531 H HIS 68 HN HIS 68 -6.998 -8.110 -8.008 532 HA HIS 68 HA HIS 68 -8.046 -10.638 -9.060 533 1HB HIS 68 HB2 HIS 68 -6.142 -10.480 -7.328 534 2HB HIS 68 HB1 HIS 68 -7.401 -10.078 -6.169 535 HD1 HIS 68 HD1 HIS 68 -6.363 -12.890 -8.484 536 HD2 HIS 68 HD2 HIS 68 -8.734 -12.242 -5.127 537 HE1 HIS 68 HE1 HIS 68 -7.037 -15.175 -7.678 538 HE2 HIS 68 HE2 HIS 68 -8.356 -14.766 -5.565 539 H SER 69 HN SER 69 -9.353 -7.818 -8.415 540 HA SER 69 HA SER 69 -11.428 -7.051 -7.952 541 1HB SER 69 HB2 SER 69 -12.185 -9.975 -8.152 542 2HB SER 69 HB1 SER 69 -13.315 -8.620 -8.178 543 HG SER 69 HG SER 69 -12.030 -9.674 -10.224 544 H ILE 70 HN ILE 70 -9.746 -7.408 -5.786 545 HA ILE 70 HA ILE 70 -11.529 -8.334 -3.640 546 HB ILE 70 HB ILE 70 -8.548 -7.781 -3.548 547 1HG1 ILE 70 HG12 ILE 70 -10.070 -10.398 -3.611 548 2HG1 ILE 70 HG11 ILE 70 -9.088 -9.741 -4.917 549 1HG2 ILE 70 HG21 ILE 70 -8.597 -8.855 -1.357 550 2HG2 ILE 70 HG22 ILE 70 -10.348 -9.039 -1.476 551 3HG2 ILE 70 HG23 ILE 70 -9.635 -7.428 -1.384 552 1HD1 ILE 70 HD11 ILE 70 -8.112 -10.640 -2.215 553 2HD1 ILE 70 HD12 ILE 70 -7.109 -9.910 -3.468 554 3HD1 ILE 70 HD13 ILE 70 -7.880 -11.469 -3.756 555 H SER 71 HN SER 71 -11.820 -6.986 -1.777 556 HA SER 71 HA SER 71 -11.682 -4.133 -2.366 557 1HB SER 71 HB2 SER 71 -12.966 -5.600 -0.041 558 2HB SER 71 HB1 SER 71 -13.140 -3.882 -0.403 559 HG SER 71 HG SER 71 -14.219 -4.396 -2.289 560 H ILE 72 HN ILE 72 -11.037 -2.708 -0.420 561 HA ILE 72 HA ILE 72 -8.803 -3.885 1.067 562 HB ILE 72 HB ILE 72 -8.559 -1.613 -0.919 563 1HG1 ILE 72 HG12 ILE 72 -7.246 -4.312 -0.668 564 2HG1 ILE 72 HG11 ILE 72 -8.240 -3.706 -1.990 565 1HG2 ILE 72 HG21 ILE 72 -7.409 -0.901 1.075 566 2HG2 ILE 72 HG22 ILE 72 -6.240 -1.320 -0.179 567 3HG2 ILE 72 HG23 ILE 72 -6.539 -2.435 1.156 568 1HD1 ILE 72 HD11 ILE 72 -6.513 -2.161 -2.635 569 2HD1 ILE 72 HD12 ILE 72 -5.855 -3.795 -2.552 570 3HD1 ILE 72 HD13 ILE 72 -5.523 -2.643 -1.258 571 H ILE 73 HN ILE 73 -8.176 -2.734 2.873 572 HA ILE 73 HA ILE 73 -9.445 -0.143 3.452 573 HB ILE 73 HB ILE 73 -9.325 -2.546 5.289 574 1HG1 ILE 73 HG12 ILE 73 -11.323 -2.345 3.883 575 2HG1 ILE 73 HG11 ILE 73 -11.720 -2.113 5.584 576 1HG2 ILE 73 HG21 ILE 73 -8.428 -0.651 6.518 577 2HG2 ILE 73 HG22 ILE 73 -10.032 -1.076 7.125 578 3HG2 ILE 73 HG23 ILE 73 -9.832 0.324 6.070 579 1HD1 ILE 73 HD11 ILE 73 -11.761 0.317 5.221 580 2HD1 ILE 73 HD12 ILE 73 -12.930 -0.536 4.212 581 3HD1 ILE 73 HD13 ILE 73 -11.421 0.050 3.511 582 HA PRO 74 HA PRO 74 -5.062 0.260 4.245 583 1HB PRO 74 HB2 PRO 74 -5.079 2.975 3.632 584 2HB PRO 74 HB1 PRO 74 -4.842 1.656 2.485 585 1HG PRO 74 HG2 PRO 74 -7.041 3.448 2.614 586 2HG PRO 74 HG1 PRO 74 -6.875 2.028 1.571 587 1HD PRO 74 HD2 PRO 74 -8.329 2.327 4.146 588 2HD PRO 74 HD1 PRO 74 -8.669 1.255 2.769 589 H SER 75 HN SER 75 -4.745 0.085 6.436 590 HA SER 75 HA SER 75 -5.305 2.237 8.272 591 1HB SER 75 HB2 SER 75 -5.004 -0.146 8.993 592 2HB SER 75 HB1 SER 75 -3.307 -0.039 8.526 593 HG SER 75 HG SER 75 -4.623 0.989 10.738 594 H CYS 76 HN CYS 76 -3.052 1.494 5.902 595 HA CYS 76 HA CYS 76 -0.931 3.256 6.513 596 1HB CYS 76 HB2 CYS 76 -1.796 2.479 3.732 597 2HB CYS 76 HB1 CYS 76 -0.182 2.868 4.313 598 HG CYS 76 HG CYS 76 0.467 0.423 4.603 599 H SER 77 HN SER 77 -3.834 4.205 6.592 600 HA SER 77 HA SER 77 -4.611 5.747 4.486 601 1HB SER 77 HB2 SER 77 -5.971 6.989 6.227 602 2HB SER 77 HB1 SER 77 -6.153 5.236 6.193 603 HG SER 77 HG SER 77 -4.914 6.879 8.094 604 H TYR 78 HN TYR 78 -1.907 6.579 6.490 605 HA TYR 78 HA TYR 78 -1.867 9.347 6.036 606 1HB TYR 78 HB2 TYR 78 0.145 9.059 7.014 607 2HB TYR 78 HB1 TYR 78 0.073 7.325 6.730 608 HD1 TYR 78 HD1 TYR 78 1.163 10.554 5.245 609 HD2 TYR 78 HD2 TYR 78 1.413 6.309 5.061 610 HE1 TYR 78 HE1 TYR 78 2.989 10.733 3.605 611 HE2 TYR 78 HE2 TYR 78 3.237 6.473 3.422 612 HH TYR 78 HH TYR 78 4.876 9.375 2.778 613 H VAL 79 HN VAL 79 -0.907 6.630 3.979 614 HA VAL 79 HA VAL 79 -0.370 8.079 1.620 615 HB VAL 79 HB VAL 79 -1.454 5.261 1.911 616 1HG1 VAL 79 HG11 VAL 79 -1.795 6.148 -0.336 617 2HG1 VAL 79 HG12 VAL 79 -0.570 4.881 -0.333 618 3HG1 VAL 79 HG13 VAL 79 -0.087 6.575 -0.439 619 1HG2 VAL 79 HG21 VAL 79 0.666 5.550 3.077 620 2HG2 VAL 79 HG22 VAL 79 1.394 6.205 1.610 621 3HG2 VAL 79 HG23 VAL 79 0.855 4.524 1.656 622 H SER 80 HN SER 80 -3.262 6.476 2.845 623 HA SER 80 HA SER 80 -4.882 6.848 0.600 624 1HB SER 80 HB2 SER 80 -5.823 6.743 3.464 625 2HB SER 80 HB1 SER 80 -6.702 6.227 2.022 626 HG SER 80 HG SER 80 -5.354 4.516 1.799 627 H ASP 81 HN ASP 81 -4.323 8.921 3.371 628 HA ASP 81 HA ASP 81 -6.491 10.680 2.902 629 1HB ASP 81 HB2 ASP 81 -5.508 10.529 5.098 630 2HB ASP 81 HB1 ASP 81 -3.927 10.992 4.487 631 H THR 82 HN THR 82 -2.988 11.002 2.184 632 HA THR 82 HA THR 82 -3.573 13.432 0.706 633 HB THR 82 HB THR 82 -1.617 13.514 2.112 634 HG1 THR 82 HG1 THR 82 -1.665 14.442 -0.179 635 1HG2 THR 82 HG21 THR 82 -0.491 11.275 0.430 636 2HG2 THR 82 HG22 THR 82 -1.006 11.151 2.113 637 3HG2 THR 82 HG23 THR 82 0.372 12.165 1.682 638 H PHE 83 HN PHE 83 -2.293 10.194 0.002 639 HA PHE 83 HA PHE 83 -1.611 10.844 -2.689 640 1HB PHE 83 HB2 PHE 83 -0.679 9.002 -1.081 641 2HB PHE 83 HB1 PHE 83 -1.980 8.029 -1.756 642 HD1 PHE 83 HD1 PHE 83 -0.980 6.472 -3.148 643 HD2 PHE 83 HD2 PHE 83 0.236 10.544 -3.362 644 HE1 PHE 83 HE1 PHE 83 0.404 5.954 -5.117 645 HE2 PHE 83 HE2 PHE 83 1.627 10.033 -5.327 646 HZ PHE 83 HZ PHE 83 1.709 7.732 -6.207 647 H LEU 84 HN LEU 84 -4.368 9.204 -1.189 648 HA LEU 84 HA LEU 84 -5.341 8.127 -3.615 649 1HB LEU 84 HB2 LEU 84 -6.526 8.521 -0.916 650 2HB LEU 84 HB1 LEU 84 -7.557 8.038 -2.251 651 HG LEU 84 HG LEU 84 -5.092 6.550 -1.326 652 1HD1 LEU 84 HD11 LEU 84 -6.893 6.376 0.294 653 2HD1 LEU 84 HD12 LEU 84 -6.652 4.844 -0.546 654 3HD1 LEU 84 HD13 LEU 84 -8.008 5.886 -0.981 655 1HD2 LEU 84 HD21 LEU 84 -5.863 4.800 -2.848 656 2HD2 LEU 84 HD22 LEU 84 -5.493 6.297 -3.704 657 3HD2 LEU 84 HD23 LEU 84 -7.171 5.853 -3.390 658 HA PRO 85 HA PRO 85 -8.079 12.139 -3.925 659 1HB PRO 85 HB2 PRO 85 -6.148 14.024 -2.720 660 2HB PRO 85 HB1 PRO 85 -7.909 14.021 -2.644 661 1HG PRO 85 HG2 PRO 85 -6.415 13.321 -0.542 662 2HG PRO 85 HG1 PRO 85 -7.961 12.530 -0.896 663 1HD PRO 85 HD2 PRO 85 -5.176 11.540 -1.344 664 2HD PRO 85 HD1 PRO 85 -6.634 10.650 -0.853 665 H ARG 86 HN ARG 86 -4.572 11.958 -3.879 666 HA ARG 86 HA ARG 86 -4.150 13.576 -6.191 667 1HB ARG 86 HB2 ARG 86 -2.432 11.580 -4.733 668 2HB ARG 86 HB1 ARG 86 -1.899 12.311 -6.242 669 1HG ARG 86 HG2 ARG 86 -2.089 14.530 -5.241 670 2HG ARG 86 HG1 ARG 86 -2.631 13.800 -3.728 671 1HD ARG 86 HD2 ARG 86 -0.540 12.771 -3.364 672 2HD ARG 86 HD1 ARG 86 -0.010 13.086 -5.014 673 HE ARG 86 HE ARG 86 -0.345 15.566 -4.100 674 1HH1 ARG 86 HH11 ARG 86 1.196 12.817 -2.592 675 2HH1 ARG 86 HH12 ARG 86 2.408 13.760 -1.784 676 1HH2 ARG 86 HH21 ARG 86 1.254 16.827 -3.059 677 2HH2 ARG 86 HH22 ARG 86 2.444 16.050 -2.049 678 H ASN 87 HN ASN 87 -4.436 10.068 -5.694 679 HA ASN 87 HA ASN 87 -5.189 9.877 -8.513 680 1HB ASN 87 HB2 ASN 87 -3.970 7.833 -8.908 681 2HB ASN 87 HB1 ASN 87 -2.856 9.079 -8.385 682 1HD2 ASN 87 HD21 ASN 87 -3.379 8.831 -5.567 683 2HD2 ASN 87 HD22 ASN 87 -2.722 7.318 -5.067 684 HA PRO 88 HA PRO 88 -8.481 8.140 -5.971 685 1HB PRO 88 HB2 PRO 88 -10.250 9.060 -8.075 686 2HB PRO 88 HB1 PRO 88 -10.099 9.655 -6.421 687 1HG PRO 88 HG2 PRO 88 -9.365 11.110 -8.601 688 2HG PRO 88 HG1 PRO 88 -8.600 11.288 -7.011 689 1HD PRO 88 HD2 PRO 88 -7.653 9.760 -9.409 690 2HD PRO 88 HD1 PRO 88 -6.736 10.813 -8.309 691 H SER 89 HN SER 89 -6.974 6.419 -7.702 692 HA SER 89 HA SER 89 -8.864 5.284 -9.609 693 1HB SER 89 HB2 SER 89 -6.042 4.386 -8.980 694 2HB SER 89 HB1 SER 89 -6.992 3.990 -10.412 695 HG SER 89 HG SER 89 -7.032 6.392 -10.716 696 H TRP 90 HN TRP 90 -8.190 4.889 -6.378 697 HA TRP 90 HA TRP 90 -8.626 1.981 -6.453 698 1HB TRP 90 HB2 TRP 90 -7.311 3.431 -4.179 699 2HB TRP 90 HB1 TRP 90 -7.172 1.735 -4.633 700 HD1 TRP 90 HD1 TRP 90 -5.360 4.921 -4.915 701 HE1 TRP 90 HE1 TRP 90 -3.460 4.764 -6.635 702 HE3 TRP 90 HE3 TRP 90 -6.685 0.534 -7.174 703 HZ2 TRP 90 HZ2 TRP 90 -2.630 3.008 -8.682 704 HZ3 TRP 90 HZ3 TRP 90 -5.284 -0.313 -9.008 705 HH2 TRP 90 HH2 TRP 90 -3.298 0.901 -9.745 706 H LYS 91 HN LYS 91 -10.388 4.543 -6.077 707 HA LYS 91 HA LYS 91 -11.642 4.378 -3.588 708 1HB LYS 91 HB2 LYS 91 -12.751 5.193 -6.276 709 2HB LYS 91 HB1 LYS 91 -13.640 5.355 -4.769 710 1HG LYS 91 HG2 LYS 91 -11.865 6.830 -3.908 711 2HG LYS 91 HG1 LYS 91 -11.045 6.705 -5.467 712 1HD LYS 91 HD2 LYS 91 -12.933 7.717 -6.585 713 2HD LYS 91 HD1 LYS 91 -13.851 7.741 -5.078 714 1HE LYS 91 HE2 LYS 91 -12.265 9.289 -4.099 715 2HE LYS 91 HE1 LYS 91 -11.266 9.217 -5.553 716 1HZ LYS 91 HZ1 LYS 91 -13.986 10.372 -5.286 717 2HZ LYS 91 HZ2 LYS 91 -13.241 10.098 -6.784 718 3HZ LYS 91 HZ3 LYS 91 -12.549 11.184 -5.683 719 HA PRO 92 HA PRO 92 -14.714 1.163 -5.749 720 1HB PRO 92 HB2 PRO 92 -13.351 -0.469 -7.505 721 2HB PRO 92 HB1 PRO 92 -14.434 0.844 -7.972 722 1HG PRO 92 HG2 PRO 92 -11.454 0.824 -7.762 723 2HG PRO 92 HG1 PRO 92 -12.489 1.582 -8.987 724 1HD PRO 92 HD2 PRO 92 -11.365 3.032 -7.056 725 2HD PRO 92 HD1 PRO 92 -13.017 3.375 -7.610 726 H LEU 93 HN LEU 93 -11.577 0.887 -4.563 727 HA LEU 93 HA LEU 93 -11.872 -1.943 -3.880 728 1HB LEU 93 HB2 LEU 93 -9.533 -0.103 -3.393 729 2HB LEU 93 HB1 LEU 93 -9.544 -1.850 -3.231 730 HG LEU 93 HG LEU 93 -9.980 -0.384 -5.825 731 1HD1 LEU 93 HD11 LEU 93 -7.501 -1.736 -4.751 732 2HD1 LEU 93 HD12 LEU 93 -7.715 -0.006 -5.016 733 3HD1 LEU 93 HD13 LEU 93 -7.699 -1.114 -6.388 734 1HD2 LEU 93 HD21 LEU 93 -9.490 -3.298 -5.200 735 2HD2 LEU 93 HD22 LEU 93 -9.609 -2.599 -6.817 736 3HD2 LEU 93 HD23 LEU 93 -11.011 -2.586 -5.746 737 H ILE 94 HN ILE 94 -11.402 1.220 -2.401 738 HA ILE 94 HA ILE 94 -11.783 -0.009 0.249 739 HB ILE 94 HB ILE 94 -10.453 1.759 1.197 740 1HG1 ILE 94 HG12 ILE 94 -9.955 2.900 -1.545 741 2HG1 ILE 94 HG11 ILE 94 -11.274 3.483 -0.530 742 1HG2 ILE 94 HG21 ILE 94 -9.205 -0.120 0.309 743 2HG2 ILE 94 HG22 ILE 94 -8.285 1.373 0.111 744 3HG2 ILE 94 HG23 ILE 94 -9.120 0.661 -1.270 745 1HD1 ILE 94 HD11 ILE 94 -9.306 4.879 -0.308 746 2HD1 ILE 94 HD12 ILE 94 -8.361 3.478 0.197 747 3HD1 ILE 94 HD13 ILE 94 -9.678 4.063 1.211 748 H HIS 95 HN HIS 95 -12.064 2.445 1.608 749 HA HIS 95 HA HIS 95 -14.730 3.249 1.249 750 1HB HIS 95 HB2 HIS 95 -12.384 4.627 2.578 751 2HB HIS 95 HB1 HIS 95 -14.042 5.214 2.677 752 HD1 HIS 95 HD1 HIS 95 -11.921 3.859 4.909 753 HD2 HIS 95 HD2 HIS 95 -15.538 2.412 3.440 754 HE1 HIS 95 HE1 HIS 95 -12.811 2.320 6.684 755 HE2 HIS 95 HE2 HIS 95 -15.081 1.595 5.854 756 H SER 96 HN SER 96 -11.853 5.285 0.725 757 HA SER 96 HA SER 96 -12.182 5.804 -1.983 758 1HB SER 96 HB2 SER 96 -14.285 6.930 -1.343 759 2HB SER 96 HB1 SER 96 -13.391 7.969 -0.234 760 HG SER 96 HG SER 96 -12.463 9.009 -1.926 761 H GLU 97 HN GLU 97 -11.544 7.667 0.964 762 HA GLU 97 HA GLU 97 -8.783 8.091 0.077 763 1HB GLU 97 HB2 GLU 97 -10.135 10.123 -0.212 764 2HB GLU 97 HB1 GLU 97 -10.660 10.047 1.465 765 1HG GLU 97 HG2 GLU 97 -8.281 10.422 2.120 766 2HG GLU 97 HG1 GLU 97 -7.911 10.661 0.409 767 H VAL 98 HN VAL 98 -8.544 9.519 2.823 768 HA VAL 98 HA VAL 98 -7.527 7.412 4.307 769 HB VAL 98 HB VAL 98 -6.840 9.607 4.858 770 1HG1 VAL 98 HG11 VAL 98 -8.360 11.311 5.766 771 2HG1 VAL 98 HG12 VAL 98 -9.721 10.225 5.482 772 3HG1 VAL 98 HG13 VAL 98 -8.781 10.837 4.120 773 1HG2 VAL 98 HG21 VAL 98 -7.207 9.747 7.262 774 2HG2 VAL 98 HG22 VAL 98 -6.922 8.078 6.767 775 3HG2 VAL 98 HG23 VAL 98 -8.559 8.624 7.133 776 H PHE 99 HN PHE 99 -10.776 8.817 4.407 777 HA PHE 99 HA PHE 99 -11.909 6.429 5.479 778 1HB PHE 99 HB2 PHE 99 -10.958 7.316 7.559 779 2HB PHE 99 HB1 PHE 99 -11.773 8.852 7.291 780 HD1 PHE 99 HD1 PHE 99 -12.565 5.216 7.614 781 HD2 PHE 99 HD2 PHE 99 -13.768 9.231 8.368 782 HE1 PHE 99 HE1 PHE 99 -14.520 4.394 8.864 783 HE2 PHE 99 HE2 PHE 99 -15.721 8.413 9.620 784 HZ PHE 99 HZ PHE 99 -16.100 5.994 9.868 785 H LYS 100 HN LYS 100 -12.174 9.808 4.707 786 HA LYS 100 HA LYS 100 -14.993 10.008 4.784 787 1HB LYS 100 HB2 LYS 100 -14.510 12.126 3.407 788 2HB LYS 100 HB1 LYS 100 -13.872 12.030 5.042 789 1HG LYS 100 HG2 LYS 100 -12.134 12.916 3.759 790 2HG LYS 100 HG1 LYS 100 -11.704 11.223 3.988 791 1HD LYS 100 HD2 LYS 100 -11.275 11.543 1.739 792 2HD LYS 100 HD1 LYS 100 -12.911 10.881 1.708 793 1HE LYS 100 HE2 LYS 100 -13.846 13.085 1.452 794 2HE LYS 100 HE1 LYS 100 -12.256 13.814 1.664 795 1HZ LYS 100 HZ1 LYS 100 -12.905 13.729 -0.660 796 2HZ LYS 100 HZ2 LYS 100 -13.035 12.043 -0.585 797 3HZ LYS 100 HZ3 LYS 100 -11.522 12.785 -0.376 798 H SER 101 HN SER 101 -16.065 10.996 2.686 799 HA SER 101 HA SER 101 -17.111 10.499 0.743 800 1HB SER 101 HB2 SER 101 -14.489 9.193 -0.027 801 2HB SER 101 HB1 SER 101 -15.799 9.608 -1.131 802 HG SER 101 HG SER 101 -14.862 11.477 -1.276 803 H SER 102 HN SER 102 -17.345 8.848 2.984 804 HA SER 102 HA SER 102 -18.409 6.441 1.806 805 1HB SER 102 HB2 SER 102 -16.053 5.817 2.179 806 2HB SER 102 HB1 SER 102 -16.176 6.328 3.860 807 HG SER 102 HG SER 102 -17.046 4.481 4.336 808 H ILE 103 HN ILE 103 -19.343 5.065 3.790 809 HA ILE 103 HA ILE 103 -20.803 6.947 5.427 810 HB ILE 103 HB ILE 103 -21.896 4.859 6.369 811 1HG1 ILE 103 HG12 ILE 103 -20.468 3.550 4.039 812 2HG1 ILE 103 HG11 ILE 103 -20.089 3.274 5.735 813 1HG2 ILE 103 HG21 ILE 103 -22.945 6.261 4.692 814 2HG2 ILE 103 HG22 ILE 103 -23.293 4.563 4.367 815 3HG2 ILE 103 HG23 ILE 103 -22.081 5.414 3.408 816 1HD1 ILE 103 HD11 ILE 103 -21.437 1.472 4.852 817 2HD1 ILE 103 HD12 ILE 103 -22.686 2.617 4.365 818 3HD1 ILE 103 HD13 ILE 103 -22.340 2.366 6.076 Start of MODEL 2 1 1H MET 1 HT1 MET 1 7.999 4.241 -19.215 2 2H MET 1 HT2 MET 1 8.133 3.190 -17.891 3 3H MET 1 HT3 MET 1 6.714 3.212 -18.815 4 HA MET 1 HA MET 1 7.888 2.377 -20.725 5 1HB MET 1 HB2 MET 1 10.235 2.521 -18.837 6 2HB MET 1 HB1 MET 1 10.244 1.473 -20.249 7 1HG MET 1 HG2 MET 1 11.376 3.516 -20.769 8 2HG MET 1 HG1 MET 1 9.870 3.440 -21.679 9 1HE MET 1 HE1 MET 1 10.636 6.144 -18.023 10 2HE MET 1 HE2 MET 1 11.870 5.166 -18.817 11 3HE MET 1 HE3 MET 1 10.579 4.386 -17.902 12 H ALA 2 HN ALA 2 9.268 -0.015 -20.427 13 HA ALA 2 HA ALA 2 7.247 -1.756 -19.657 14 1HB ALA 2 HB1 ALA 2 10.197 -2.347 -19.808 15 2HB ALA 2 HB2 ALA 2 9.071 -2.367 -21.163 16 3HB ALA 2 HB3 ALA 2 8.892 -3.533 -19.854 17 H THR 3 HN THR 3 10.068 -0.672 -17.810 18 HA THR 3 HA THR 3 8.652 -1.230 -15.352 19 HB THR 3 HB THR 3 9.711 -3.394 -15.740 20 HG1 THR 3 HG1 THR 3 9.920 -2.008 -13.563 21 1HG2 THR 3 HG21 THR 3 12.158 -3.632 -15.797 22 2HG2 THR 3 HG22 THR 3 12.318 -1.875 -15.833 23 3HG2 THR 3 HG23 THR 3 11.551 -2.717 -17.178 24 H GLU 4 HN GLU 4 8.958 0.349 -14.020 25 HA GLU 4 HA GLU 4 10.999 2.327 -14.506 26 1HB GLU 4 HB2 GLU 4 8.588 2.097 -12.769 27 2HB GLU 4 HB1 GLU 4 9.851 3.206 -12.261 28 1HG GLU 4 HG2 GLU 4 8.179 4.389 -13.516 29 2HG GLU 4 HG1 GLU 4 9.691 4.362 -14.418 30 HA PRO 5 HA PRO 5 14.224 1.407 -11.641 31 1HB PRO 5 HB2 PRO 5 13.240 3.670 -9.951 32 2HB PRO 5 HB1 PRO 5 14.885 3.282 -10.466 33 1HG PRO 5 HG2 PRO 5 13.498 5.192 -11.689 34 2HG PRO 5 HG1 PRO 5 14.555 4.104 -12.606 35 1HD PRO 5 HD2 PRO 5 11.593 4.186 -12.455 36 2HD PRO 5 HD1 PRO 5 12.643 3.647 -13.779 37 HA PRO 6 HA PRO 6 12.022 0.893 -7.354 38 1HB PRO 6 HB2 PRO 6 9.306 0.915 -7.334 39 2HB PRO 6 HB1 PRO 6 10.279 2.349 -7.034 40 1HG PRO 6 HG2 PRO 6 8.957 1.450 -9.566 41 2HG PRO 6 HG1 PRO 6 8.956 3.061 -8.819 42 1HD PRO 6 HD2 PRO 6 10.593 2.483 -10.847 43 2HD PRO 6 HD1 PRO 6 11.121 3.503 -9.487 44 H LYS 7 HN LYS 7 11.830 -1.156 -6.647 45 HA LYS 7 HA LYS 7 10.486 -3.108 -8.373 46 1HB LYS 7 HB2 LYS 7 13.152 -2.901 -8.514 47 2HB LYS 7 HB1 LYS 7 13.049 -3.921 -7.085 48 1HG LYS 7 HG2 LYS 7 13.023 -5.620 -8.536 49 2HG LYS 7 HG1 LYS 7 11.337 -5.178 -8.806 50 1HD LYS 7 HD2 LYS 7 13.717 -4.243 -10.409 51 2HD LYS 7 HD1 LYS 7 12.503 -5.412 -10.926 52 1HE LYS 7 HE2 LYS 7 11.905 -2.540 -10.225 53 2HE LYS 7 HE1 LYS 7 12.198 -3.118 -11.865 54 1HZ LYS 7 HZ1 LYS 7 10.001 -4.012 -10.073 55 2HZ LYS 7 HZ2 LYS 7 10.289 -4.591 -11.640 56 3HZ LYS 7 HZ3 LYS 7 9.845 -2.974 -11.402 57 H ILE 8 HN ILE 8 8.856 -3.632 -7.043 58 HA ILE 8 HA ILE 8 9.392 -3.717 -4.175 59 HB ILE 8 HB ILE 8 6.696 -3.960 -5.504 60 1HG1 ILE 8 HG12 ILE 8 7.826 -1.864 -6.214 61 2HG1 ILE 8 HG11 ILE 8 6.415 -1.561 -5.203 62 1HG2 ILE 8 HG21 ILE 8 7.565 -3.146 -2.733 63 2HG2 ILE 8 HG22 ILE 8 6.788 -4.664 -3.186 64 3HG2 ILE 8 HG23 ILE 8 5.902 -3.144 -3.322 65 1HD1 ILE 8 HD11 ILE 8 8.254 -0.084 -4.633 66 2HD1 ILE 8 HD12 ILE 8 9.288 -1.477 -4.311 67 3HD1 ILE 8 HD13 ILE 8 7.881 -1.168 -3.292 68 H VAL 9 HN VAL 9 9.699 -5.556 -3.169 69 HA VAL 9 HA VAL 9 9.204 -8.046 -4.610 70 HB VAL 9 HB VAL 9 10.700 -7.561 -2.026 71 1HG1 VAL 9 HG11 VAL 9 11.587 -9.827 -2.365 72 2HG1 VAL 9 HG12 VAL 9 10.542 -10.021 -3.773 73 3HG1 VAL 9 HG13 VAL 9 9.833 -9.839 -2.168 74 1HG2 VAL 9 HG21 VAL 9 11.705 -8.011 -4.829 75 2HG2 VAL 9 HG22 VAL 9 12.708 -7.870 -3.384 76 3HG2 VAL 9 HG23 VAL 9 11.757 -6.491 -3.938 77 H TRP 10 HN TRP 10 7.426 -9.143 -4.247 78 HA TRP 10 HA TRP 10 5.759 -8.480 -1.987 79 1HB TRP 10 HB2 TRP 10 4.777 -8.797 -4.205 80 2HB TRP 10 HB1 TRP 10 5.361 -10.457 -4.240 81 HD1 TRP 10 HD1 TRP 10 3.839 -9.200 -0.990 82 HE1 TRP 10 HE1 TRP 10 1.557 -10.332 -0.623 83 HE3 TRP 10 HE3 TRP 10 3.328 -11.456 -5.549 84 HZ2 TRP 10 HZ2 TRP 10 -0.223 -11.965 -2.087 85 HZ3 TRP 10 HZ3 TRP 10 1.303 -12.781 -5.986 86 HH2 TRP 10 HH2 TRP 10 -0.433 -13.029 -4.289 87 H ASN 11 HN ASN 11 6.398 -9.296 -0.122 88 HA ASN 11 HA ASN 11 7.440 -12.003 0.064 89 1HB ASN 11 HB2 ASN 11 8.280 -10.006 1.440 90 2HB ASN 11 HB1 ASN 11 6.770 -10.108 2.328 91 1HD2 ASN 11 HD21 ASN 11 6.839 -13.103 2.093 92 2HD2 ASN 11 HD22 ASN 11 7.997 -13.610 3.271 93 H GLU 12 HN GLU 12 5.465 -12.855 -0.860 94 HA GLU 12 HA GLU 12 2.922 -12.471 0.247 95 1HB GLU 12 HB2 GLU 12 2.628 -14.876 -0.916 96 2HB GLU 12 HB1 GLU 12 2.624 -13.356 -1.792 97 1HG GLU 12 HG2 GLU 12 4.000 -15.002 -2.901 98 2HG GLU 12 HG1 GLU 12 4.972 -13.646 -2.345 99 H GLY 13 HN GLY 13 5.528 -14.472 1.233 100 1HA GLY 13 HA2 GLY 13 4.118 -16.348 2.799 101 2HA GLY 13 HA1 GLY 13 5.786 -15.850 3.058 102 H LYS 14 HN LYS 14 4.879 -13.005 3.307 103 HA LYS 14 HA LYS 14 3.857 -13.186 6.065 104 1HB LYS 14 HB2 LYS 14 5.473 -10.941 4.860 105 2HB LYS 14 HB1 LYS 14 5.042 -11.144 6.551 106 1HG LYS 14 HG2 LYS 14 6.902 -12.898 4.967 107 2HG LYS 14 HG1 LYS 14 7.366 -11.693 6.169 108 1HD LYS 14 HD2 LYS 14 6.179 -12.972 7.894 109 2HD LYS 14 HD1 LYS 14 5.726 -14.179 6.687 110 1HE LYS 14 HE2 LYS 14 7.631 -14.986 7.911 111 2HE LYS 14 HE1 LYS 14 8.141 -14.582 6.269 112 1HZ LYS 14 HZ1 LYS 14 9.771 -13.708 7.692 113 2HZ LYS 14 HZ2 LYS 14 8.628 -13.060 8.761 114 3HZ LYS 14 HZ3 LYS 14 8.840 -12.368 7.231 115 H ARG 15 HN ARG 15 2.823 -12.590 3.082 116 HA ARG 15 HA ARG 15 1.273 -11.301 2.041 117 1HB ARG 15 HB2 ARG 15 0.235 -10.922 4.860 118 2HB ARG 15 HB1 ARG 15 -0.664 -10.590 3.384 119 1HG ARG 15 HG2 ARG 15 -0.551 -12.935 2.767 120 2HG ARG 15 HG1 ARG 15 0.397 -13.264 4.212 121 1HD ARG 15 HD2 ARG 15 -1.453 -12.693 5.631 122 2HD ARG 15 HD1 ARG 15 -2.402 -12.159 4.242 123 HE ARG 15 HE ARG 15 -2.287 -14.535 3.475 124 1HH1 ARG 15 HH11 ARG 15 -1.980 -13.755 6.883 125 2HH1 ARG 15 HH12 ARG 15 -2.486 -15.328 7.416 126 1HH2 ARG 15 HH21 ARG 15 -2.958 -16.590 4.167 127 2HH2 ARG 15 HH22 ARG 15 -3.069 -16.937 5.868 128 H ARG 16 HN ARG 16 3.462 -9.994 2.015 129 HA ARG 16 HA ARG 16 2.756 -7.232 2.581 130 1HB ARG 16 HB2 ARG 16 4.723 -6.781 3.897 131 2HB ARG 16 HB1 ARG 16 3.834 -8.108 4.622 132 1HG ARG 16 HG2 ARG 16 5.393 -9.698 3.955 133 2HG ARG 16 HG1 ARG 16 6.134 -8.612 2.780 134 1HD ARG 16 HD2 ARG 16 6.820 -7.161 4.720 135 2HD ARG 16 HD1 ARG 16 6.268 -8.454 5.786 136 HE ARG 16 HE ARG 16 7.956 -9.882 4.598 137 1HH1 ARG 16 HH11 ARG 16 8.333 -6.414 4.807 138 2HH1 ARG 16 HH12 ARG 16 10.064 -6.458 4.628 139 1HH2 ARG 16 HH21 ARG 16 10.232 -9.952 4.383 140 2HH2 ARG 16 HH22 ARG 16 11.144 -8.471 4.436 141 H PHE 17 HN PHE 17 4.383 -5.712 1.725 142 HA PHE 17 HA PHE 17 5.962 -6.857 -0.494 143 1HB PHE 17 HB2 PHE 17 4.708 -4.102 -0.392 144 2HB PHE 17 HB1 PHE 17 5.642 -4.770 -1.724 145 HD1 PHE 17 HD1 PHE 17 2.403 -4.459 -0.226 146 HD2 PHE 17 HD2 PHE 17 4.705 -6.732 -2.983 147 HE1 PHE 17 HE1 PHE 17 0.335 -5.323 -1.236 148 HE2 PHE 17 HE2 PHE 17 2.642 -7.594 -4.004 149 HZ PHE 17 HZ PHE 17 0.444 -6.881 -3.118 150 H GLU 18 HN GLU 18 8.019 -5.916 -0.855 151 HA GLU 18 HA GLU 18 8.915 -3.879 1.052 152 1HB GLU 18 HB2 GLU 18 9.529 -6.279 1.778 153 2HB GLU 18 HB1 GLU 18 10.649 -6.249 0.422 154 1HG GLU 18 HG2 GLU 18 11.914 -4.513 1.366 155 2HG GLU 18 HG1 GLU 18 10.670 -4.157 2.564 156 H THR 19 HN THR 19 10.007 -2.318 0.126 157 HA THR 19 HA THR 19 10.128 -2.208 -2.703 158 HB THR 19 HB THR 19 9.840 -0.236 -1.149 159 HG1 THR 19 HG1 THR 19 12.002 0.509 -2.730 160 1HG2 THR 19 HG21 THR 19 11.656 -0.795 0.411 161 2HG2 THR 19 HG22 THR 19 11.809 0.835 -0.240 162 3HG2 THR 19 HG23 THR 19 12.832 -0.458 -0.855 163 H GLU 20 HN GLU 20 12.209 -1.438 -3.796 164 HA GLU 20 HA GLU 20 14.065 -3.556 -3.811 165 1HB GLU 20 HB2 GLU 20 15.380 -1.859 -5.277 166 2HB GLU 20 HB1 GLU 20 13.844 -2.492 -5.844 167 1HG GLU 20 HG2 GLU 20 14.071 -0.092 -6.256 168 2HG GLU 20 HG1 GLU 20 12.709 -0.470 -5.210 169 H ASP 21 HN ASP 21 13.728 -1.203 -1.645 170 HA ASP 21 HA ASP 21 16.579 -0.836 -1.077 171 1HB ASP 21 HB2 ASP 21 15.017 1.139 -1.318 172 2HB ASP 21 HB1 ASP 21 14.212 0.590 0.144 173 H HIS 22 HN HIS 22 13.720 -2.377 -0.025 174 HA HIS 22 HA HIS 22 13.241 -3.896 1.568 175 1HB HIS 22 HB2 HIS 22 16.240 -3.891 1.916 176 2HB HIS 22 HB1 HIS 22 15.170 -4.961 2.819 177 HD1 HIS 22 HD1 HIS 22 13.872 -6.770 1.453 178 HD2 HIS 22 HD2 HIS 22 16.697 -4.623 -0.728 179 HE1 HIS 22 HE1 HIS 22 14.258 -8.094 -0.657 180 HE2 HIS 22 HE2 HIS 22 15.845 -6.697 -2.031 181 H GLU 23 HN GLU 23 14.688 -0.948 2.359 182 HA GLU 23 HA GLU 23 14.328 -1.134 5.205 183 1HB GLU 23 HB2 GLU 23 14.667 1.296 3.431 184 2HB GLU 23 HB1 GLU 23 14.797 1.278 5.183 185 1HG GLU 23 HG2 GLU 23 16.601 -0.217 3.290 186 2HG GLU 23 HG1 GLU 23 16.977 1.323 4.071 187 H ALA 24 HN ALA 24 12.486 -0.260 2.435 188 HA ALA 24 HA ALA 24 10.274 0.715 4.100 189 1HB ALA 24 HB1 ALA 24 10.723 1.031 1.134 190 2HB ALA 24 HB2 ALA 24 11.058 2.256 2.358 191 3HB ALA 24 HB3 ALA 24 9.399 1.729 2.067 192 H PHE 25 HN PHE 25 8.306 -0.315 4.046 193 HA PHE 25 HA PHE 25 7.812 -2.463 2.192 194 1HB PHE 25 HB2 PHE 25 7.615 -4.214 3.909 195 2HB PHE 25 HB1 PHE 25 9.259 -3.596 3.805 196 HD1 PHE 25 HD1 PHE 25 6.393 -4.113 5.911 197 HD2 PHE 25 HD2 PHE 25 10.064 -1.990 5.548 198 HE1 PHE 25 HE1 PHE 25 6.370 -3.669 8.332 199 HE2 PHE 25 HE2 PHE 25 10.047 -1.544 7.969 200 HZ PHE 25 HZ PHE 25 8.200 -2.384 9.364 201 H ILE 26 HN ILE 26 5.724 -3.559 2.696 202 HA ILE 26 HA ILE 26 3.836 -1.930 4.224 203 HB ILE 26 HB ILE 26 4.034 -1.861 1.372 204 1HG1 ILE 26 HG12 ILE 26 3.380 -0.067 3.019 205 2HG1 ILE 26 HG11 ILE 26 2.394 -0.147 1.559 206 1HG2 ILE 26 HG21 ILE 26 2.641 -3.921 1.405 207 2HG2 ILE 26 HG22 ILE 26 1.853 -2.553 0.619 208 3HG2 ILE 26 HG23 ILE 26 1.388 -3.017 2.256 209 1HD1 ILE 26 HD11 ILE 26 0.690 -1.378 2.802 210 2HD1 ILE 26 HD12 ILE 26 1.022 0.203 3.509 211 3HD1 ILE 26 HD13 ILE 26 1.679 -1.252 4.256 212 H GLU 27 HN GLU 27 2.238 -3.172 5.195 213 HA GLU 27 HA GLU 27 2.259 -6.054 4.530 214 1HB GLU 27 HB2 GLU 27 2.388 -4.703 7.030 215 2HB GLU 27 HB1 GLU 27 0.825 -5.494 6.945 216 1HG GLU 27 HG2 GLU 27 1.852 -7.622 6.517 217 2HG GLU 27 HG1 GLU 27 3.446 -6.880 6.464 218 H TYR 28 HN TYR 28 0.112 -7.156 4.883 219 HA TYR 28 HA TYR 28 -2.187 -5.455 5.083 220 1HB TYR 28 HB2 TYR 28 -3.303 -6.170 3.031 221 2HB TYR 28 HB1 TYR 28 -1.834 -5.266 2.668 222 HD1 TYR 28 HD1 TYR 28 -3.430 -8.575 2.616 223 HD2 TYR 28 HD2 TYR 28 0.030 -6.332 1.561 224 HE1 TYR 28 HE1 TYR 28 -2.669 -10.428 1.192 225 HE2 TYR 28 HE2 TYR 28 0.799 -8.182 0.133 226 HH TYR 28 HH TYR 28 -1.176 -10.759 -0.765 227 H LYS 29 HN LYS 29 -4.063 -6.540 5.562 228 HA LYS 29 HA LYS 29 -3.727 -9.408 6.142 229 1HB LYS 29 HB2 LYS 29 -5.627 -7.900 7.823 230 2HB LYS 29 HB1 LYS 29 -4.469 -9.138 8.266 231 1HG LYS 29 HG2 LYS 29 -3.773 -6.262 7.742 232 2HG LYS 29 HG1 LYS 29 -4.025 -6.966 9.336 233 1HD LYS 29 HD2 LYS 29 -1.979 -8.041 7.414 234 2HD LYS 29 HD1 LYS 29 -1.615 -6.725 8.534 235 1HE LYS 29 HE2 LYS 29 -2.169 -8.133 10.409 236 2HE LYS 29 HE1 LYS 29 -2.650 -9.442 9.330 237 1HZ LYS 29 HZ1 LYS 29 -0.375 -9.605 8.557 238 2HZ LYS 29 HZ2 LYS 29 -0.425 -9.767 10.241 239 3HZ LYS 29 HZ3 LYS 29 0.095 -8.309 9.544 240 H MET 30 HN MET 30 -5.080 -10.541 4.884 241 HA MET 30 HA MET 30 -7.258 -9.201 3.553 242 1HB MET 30 HB2 MET 30 -6.477 -12.130 3.491 243 2HB MET 30 HB1 MET 30 -7.590 -11.328 2.395 244 1HG MET 30 HG2 MET 30 -5.739 -9.898 1.614 245 2HG MET 30 HG1 MET 30 -4.641 -10.816 2.642 246 1HE MET 30 HE1 MET 30 -5.023 -14.423 1.039 247 2HE MET 30 HE2 MET 30 -6.047 -13.742 2.305 248 3HE MET 30 HE3 MET 30 -4.300 -13.501 2.358 249 H ARG 31 HN ARG 31 -9.048 -8.856 4.553 250 HA ARG 31 HA ARG 31 -9.997 -10.601 6.709 251 1HB ARG 31 HB2 ARG 31 -10.896 -7.847 5.827 252 2HB ARG 31 HB1 ARG 31 -11.471 -8.708 7.246 253 1HG ARG 31 HG2 ARG 31 -9.414 -8.476 8.360 254 2HG ARG 31 HG1 ARG 31 -8.568 -8.028 6.879 255 1HD ARG 31 HD2 ARG 31 -8.883 -6.069 8.256 256 2HD ARG 31 HD1 ARG 31 -9.870 -5.934 6.802 257 HE ARG 31 HE ARG 31 -11.526 -7.022 8.698 258 1HH1 ARG 31 HH11 ARG 31 -9.608 -4.095 8.440 259 2HH1 ARG 31 HH12 ARG 31 -10.699 -3.158 9.415 260 1HH2 ARG 31 HH21 ARG 31 -12.948 -5.802 9.974 261 2HH2 ARG 31 HH22 ARG 31 -12.604 -4.122 10.284 262 H ASN 32 HN ASN 32 -12.442 -10.839 6.773 263 HA ASN 32 HA ASN 32 -14.409 -11.530 5.854 264 1HB ASN 32 HB2 ASN 32 -14.182 -9.133 4.922 265 2HB ASN 32 HB1 ASN 32 -13.698 -9.899 3.415 266 1HD2 ASN 32 HD21 ASN 32 -16.258 -9.206 5.577 267 2HD2 ASN 32 HD22 ASN 32 -17.559 -9.777 4.584 268 H ASN 33 HN ASN 33 -12.587 -13.420 5.679 269 HA ASN 33 HA ASN 33 -12.032 -15.367 4.625 270 1HB ASN 33 HB2 ASN 33 -14.366 -15.411 3.820 271 2HB ASN 33 HB1 ASN 33 -13.907 -14.428 2.435 272 1HD2 ASN 33 HD21 ASN 33 -14.368 -15.832 0.846 273 2HD2 ASN 33 HD22 ASN 33 -13.563 -17.346 0.617 274 H GLY 34 HN GLY 34 -11.261 -12.363 3.586 275 1HA GLY 34 HA2 GLY 34 -9.042 -12.007 2.687 276 2HA GLY 34 HA1 GLY 34 -9.293 -13.403 1.652 277 H LYS 35 HN LYS 35 -12.004 -11.375 2.000 278 HA LYS 35 HA LYS 35 -11.774 -10.558 -0.783 279 1HB LYS 35 HB2 LYS 35 -14.031 -10.210 1.197 280 2HB LYS 35 HB1 LYS 35 -14.100 -9.770 -0.504 281 1HG LYS 35 HG2 LYS 35 -13.728 -12.533 0.606 282 2HG LYS 35 HG1 LYS 35 -15.203 -11.885 -0.118 283 1HD LYS 35 HD2 LYS 35 -13.848 -11.484 -2.217 284 2HD LYS 35 HD1 LYS 35 -12.566 -12.439 -1.468 285 1HE LYS 35 HE2 LYS 35 -13.877 -13.843 -2.928 286 2HE LYS 35 HE1 LYS 35 -14.136 -14.324 -1.252 287 1HZ LYS 35 HZ1 LYS 35 -16.217 -14.266 -2.459 288 2HZ LYS 35 HZ2 LYS 35 -15.970 -12.647 -2.889 289 3HZ LYS 35 HZ3 LYS 35 -16.212 -13.065 -1.267 290 H VAL 36 HN VAL 36 -11.136 -9.287 2.270 291 HA VAL 36 HA VAL 36 -10.963 -6.582 1.116 292 HB VAL 36 HB VAL 36 -11.738 -7.386 3.925 293 1HG1 VAL 36 HG11 VAL 36 -10.146 -5.529 4.041 294 2HG1 VAL 36 HG12 VAL 36 -11.772 -4.995 4.471 295 3HG1 VAL 36 HG13 VAL 36 -11.113 -4.619 2.878 296 1HG2 VAL 36 HG21 VAL 36 -13.559 -7.388 2.314 297 2HG2 VAL 36 HG22 VAL 36 -13.156 -5.739 1.832 298 3HG2 VAL 36 HG23 VAL 36 -13.747 -6.062 3.462 299 H MET 37 HN MET 37 -8.918 -5.914 0.961 300 HA MET 37 HA MET 37 -6.884 -7.190 2.626 301 1HB MET 37 HB2 MET 37 -6.772 -5.491 0.146 302 2HB MET 37 HB1 MET 37 -5.341 -5.716 1.143 303 1HG MET 37 HG2 MET 37 -5.584 -8.164 0.837 304 2HG MET 37 HG1 MET 37 -6.915 -7.847 -0.278 305 1HE MET 37 HE1 MET 37 -5.582 -9.308 -2.099 306 2HE MET 37 HE2 MET 37 -4.250 -9.536 -0.966 307 3HE MET 37 HE3 MET 37 -3.930 -8.957 -2.602 308 H ASP 38 HN ASP 38 -6.630 -6.312 4.538 309 HA ASP 38 HA ASP 38 -6.923 -3.448 4.902 310 1HB ASP 38 HB2 ASP 38 -7.591 -5.342 6.572 311 2HB ASP 38 HB1 ASP 38 -5.879 -5.377 6.967 312 H LEU 39 HN LEU 39 -5.310 -2.290 4.132 313 HA LEU 39 HA LEU 39 -2.653 -3.369 3.921 314 1HB LEU 39 HB2 LEU 39 -3.939 -0.772 3.128 315 2HB LEU 39 HB1 LEU 39 -2.192 -0.923 3.128 316 HG LEU 39 HG LEU 39 -2.214 -2.531 1.416 317 1HD1 LEU 39 HD11 LEU 39 -4.228 -3.515 0.473 318 2HD1 LEU 39 HD12 LEU 39 -5.202 -2.679 1.683 319 3HD1 LEU 39 HD13 LEU 39 -4.054 -3.921 2.182 320 1HD2 LEU 39 HD21 LEU 39 -4.317 -0.479 0.782 321 2HD2 LEU 39 HD22 LEU 39 -3.374 -1.392 -0.396 322 3HD2 LEU 39 HD23 LEU 39 -2.574 -0.240 0.675 323 H VAL 40 HN VAL 40 -1.250 -3.355 5.514 324 HA VAL 40 HA VAL 40 -1.775 -1.491 7.729 325 HB VAL 40 HB VAL 40 -0.847 -4.371 7.821 326 1HG1 VAL 40 HG11 VAL 40 -0.779 -4.132 10.245 327 2HG1 VAL 40 HG12 VAL 40 -1.137 -2.413 10.091 328 3HG1 VAL 40 HG13 VAL 40 0.380 -3.058 9.463 329 1HG2 VAL 40 HG21 VAL 40 -3.248 -4.096 7.521 330 2HG2 VAL 40 HG22 VAL 40 -3.311 -3.029 8.924 331 3HG2 VAL 40 HG23 VAL 40 -2.881 -4.731 9.126 332 H HIS 41 HN HIS 41 -0.166 -0.077 7.929 333 HA HIS 41 HA HIS 41 1.872 0.638 8.564 334 1HB HIS 41 HB2 HIS 41 2.061 -1.620 9.675 335 2HB HIS 41 HB1 HIS 41 2.856 -2.195 8.222 336 HD1 HIS 41 HD1 HIS 41 4.546 -2.616 10.469 337 HD2 HIS 41 HD2 HIS 41 4.402 1.138 8.675 338 HE1 HIS 41 HE1 HIS 41 6.651 -1.439 11.180 339 HE2 HIS 41 HE2 HIS 41 6.399 0.905 10.310 340 H THR 42 HN THR 42 2.070 1.904 6.769 341 HA THR 42 HA THR 42 3.822 0.923 4.648 342 HB THR 42 HB THR 42 2.079 2.585 4.033 343 HG1 THR 42 HG1 THR 42 3.526 3.143 2.619 344 1HG2 THR 42 HG21 THR 42 3.577 4.398 5.927 345 2HG2 THR 42 HG22 THR 42 1.917 3.823 6.114 346 3HG2 THR 42 HG23 THR 42 2.329 4.923 4.797 347 H TYR 43 HN TYR 43 6.017 1.309 4.652 348 HA TYR 43 HA TYR 43 7.037 3.223 6.604 349 1HB TYR 43 HB2 TYR 43 7.078 0.744 7.443 350 2HB TYR 43 HB1 TYR 43 8.455 0.596 6.351 351 HD1 TYR 43 HD1 TYR 43 7.225 3.103 8.821 352 HD2 TYR 43 HD2 TYR 43 10.514 0.810 7.402 353 HE1 TYR 43 HE1 TYR 43 8.646 4.105 10.543 354 HE2 TYR 43 HE2 TYR 43 11.955 1.805 9.131 355 HH TYR 43 HH TYR 43 10.760 3.473 11.784 356 H VAL 44 HN VAL 44 9.029 4.096 6.098 357 HA VAL 44 HA VAL 44 10.519 3.231 3.807 358 HB VAL 44 HB VAL 44 8.608 4.471 2.763 359 1HG1 VAL 44 HG11 VAL 44 8.199 6.160 4.433 360 2HG1 VAL 44 HG12 VAL 44 8.580 6.925 2.890 361 3HG1 VAL 44 HG13 VAL 44 9.798 6.856 4.166 362 1HG2 VAL 44 HG21 VAL 44 10.686 4.265 1.561 363 2HG2 VAL 44 HG22 VAL 44 11.345 5.673 2.393 364 3HG2 VAL 44 HG23 VAL 44 9.995 5.863 1.276 365 HA PRO 45 HA PRO 45 13.562 5.241 6.374 366 1HB PRO 45 HB2 PRO 45 15.647 5.243 4.648 367 2HB PRO 45 HB1 PRO 45 15.077 3.774 5.450 368 1HG PRO 45 HG2 PRO 45 14.482 4.771 2.686 369 2HG PRO 45 HG1 PRO 45 14.930 3.135 3.210 370 1HD PRO 45 HD2 PRO 45 12.374 3.826 2.711 371 2HD PRO 45 HD1 PRO 45 12.803 2.665 3.983 372 H SER 46 HN SER 46 15.090 7.100 6.294 373 HA SER 46 HA SER 46 13.752 9.438 5.535 374 1HB SER 46 HB2 SER 46 16.672 9.095 6.247 375 2HB SER 46 HB1 SER 46 15.763 10.606 6.292 376 HG SER 46 HG SER 46 15.388 8.293 7.902 377 H PHE 47 HN PHE 47 15.570 7.373 3.609 378 HA PHE 47 HA PHE 47 16.718 9.257 1.811 379 1HB PHE 47 HB2 PHE 47 16.007 6.346 1.382 380 2HB PHE 47 HB1 PHE 47 17.011 7.315 0.311 381 HD1 PHE 47 HD1 PHE 47 16.864 5.433 3.402 382 HD2 PHE 47 HD2 PHE 47 19.256 8.026 1.023 383 HE1 PHE 47 HE1 PHE 47 18.850 4.793 4.705 384 HE2 PHE 47 HE2 PHE 47 21.247 7.389 2.320 385 HZ PHE 47 HZ PHE 47 21.057 5.745 4.133 386 H LYS 48 HN LYS 48 13.566 7.786 2.126 387 HA LYS 48 HA LYS 48 12.704 9.113 -0.342 388 1HB LYS 48 HB2 LYS 48 12.266 6.187 0.291 389 2HB LYS 48 HB1 LYS 48 11.452 7.056 -1.001 390 1HG LYS 48 HG2 LYS 48 13.535 7.436 -2.137 391 2HG LYS 48 HG1 LYS 48 14.439 6.730 -0.795 392 1HD LYS 48 HD2 LYS 48 12.362 5.199 -2.348 393 2HD LYS 48 HD1 LYS 48 14.063 5.242 -2.815 394 1HE LYS 48 HE2 LYS 48 13.124 4.392 -0.084 395 2HE LYS 48 HE1 LYS 48 13.348 3.262 -1.417 396 1HZ LYS 48 HZ1 LYS 48 15.651 3.759 -1.504 397 2HZ LYS 48 HZ2 LYS 48 15.282 3.453 0.125 398 3HZ LYS 48 HZ3 LYS 48 15.494 5.046 -0.418 399 H ARG 49 HN ARG 49 12.208 9.826 2.389 400 HA ARG 49 HA ARG 49 9.748 8.877 3.387 401 1HB ARG 49 HB2 ARG 49 11.105 11.552 3.781 402 2HB ARG 49 HB1 ARG 49 9.731 10.982 4.719 403 1HG ARG 49 HG2 ARG 49 12.359 9.531 4.573 404 2HG ARG 49 HG1 ARG 49 11.964 10.725 5.811 405 1HD ARG 49 HD2 ARG 49 10.157 8.395 5.304 406 2HD ARG 49 HD1 ARG 49 11.593 8.216 6.312 407 HE ARG 49 HE ARG 49 9.637 10.322 6.933 408 1HH1 ARG 49 HH11 ARG 49 11.145 7.268 7.744 409 2HH1 ARG 49 HH12 ARG 49 10.730 7.356 9.428 410 1HH2 ARG 49 HH21 ARG 49 9.069 10.438 9.166 411 2HH2 ARG 49 HH22 ARG 49 9.527 9.136 10.225 412 H GLY 50 HN GLY 50 10.412 12.022 1.858 413 1HA GLY 50 HA2 GLY 50 7.585 12.218 1.121 414 2HA GLY 50 HA1 GLY 50 8.765 13.521 1.060 415 H LEU 51 HN LEU 51 9.365 10.346 -0.191 416 HA LEU 51 HA LEU 51 9.794 11.450 -2.836 417 1HB LEU 51 HB2 LEU 51 11.124 9.583 -1.412 418 2HB LEU 51 HB1 LEU 51 10.048 8.541 -2.319 419 HG LEU 51 HG LEU 51 12.154 8.690 -3.465 420 1HD1 LEU 51 HD11 LEU 51 10.217 8.545 -4.895 421 2HD1 LEU 51 HD12 LEU 51 11.437 9.574 -5.647 422 3HD1 LEU 51 HD13 LEU 51 10.029 10.299 -4.866 423 1HD2 LEU 51 HD21 LEU 51 13.022 10.823 -4.306 424 2HD2 LEU 51 HD22 LEU 51 12.955 10.785 -2.545 425 3HD2 LEU 51 HD23 LEU 51 11.734 11.676 -3.455 426 H GLY 52 HN GLY 52 7.599 9.260 -1.150 427 1HA GLY 52 HA2 GLY 52 5.328 9.089 -2.137 428 2HA GLY 52 HA1 GLY 52 6.129 8.927 -3.695 429 H LEU 53 HN LEU 53 8.225 7.275 -2.240 430 HA LEU 53 HA LEU 53 7.474 4.844 -3.293 431 1HB LEU 53 HB2 LEU 53 9.776 5.601 -2.678 432 2HB LEU 53 HB1 LEU 53 9.392 5.270 -1.001 433 HG LEU 53 HG LEU 53 10.751 3.527 -2.329 434 1HD1 LEU 53 HD11 LEU 53 9.852 3.121 -0.104 435 2HD1 LEU 53 HD12 LEU 53 9.730 1.680 -1.112 436 3HD1 LEU 53 HD13 LEU 53 8.299 2.666 -0.805 437 1HD2 LEU 53 HD21 LEU 53 7.987 2.825 -3.305 438 2HD2 LEU 53 HD22 LEU 53 9.468 1.902 -3.575 439 3HD2 LEU 53 HD23 LEU 53 9.282 3.500 -4.298 440 H ALA 54 HN ALA 54 7.167 5.921 0.086 441 HA ALA 54 HA ALA 54 6.282 3.544 1.221 442 1HB ALA 54 HB1 ALA 54 5.397 6.344 1.919 443 2HB ALA 54 HB2 ALA 54 6.862 5.555 2.506 444 3HB ALA 54 HB3 ALA 54 5.278 4.924 2.959 445 H SER 55 HN SER 55 4.456 6.087 -0.381 446 HA SER 55 HA SER 55 1.915 4.893 -0.121 447 1HB SER 55 HB2 SER 55 2.911 6.931 -2.123 448 2HB SER 55 HB1 SER 55 1.218 6.567 -1.787 449 HG SER 55 HG SER 55 2.770 8.283 -0.528 450 H HIS 56 HN HIS 56 4.471 4.591 -2.516 451 HA HIS 56 HA HIS 56 2.973 3.289 -4.523 452 1HB HIS 56 HB2 HIS 56 5.898 3.311 -3.846 453 2HB HIS 56 HB1 HIS 56 5.281 2.240 -5.098 454 HD1 HIS 56 HD1 HIS 56 4.539 3.290 -7.314 455 HD2 HIS 56 HD2 HIS 56 5.888 6.046 -4.504 456 HE1 HIS 56 HE1 HIS 56 4.871 5.447 -8.574 457 HE2 HIS 56 HE2 HIS 56 5.860 7.043 -6.886 458 H LEU 57 HN LEU 57 4.505 2.158 -1.603 459 HA LEU 57 HA LEU 57 4.283 -0.614 -2.082 460 1HB LEU 57 HB2 LEU 57 4.205 0.875 0.545 461 2HB LEU 57 HB1 LEU 57 4.532 -0.836 0.344 462 HG LEU 57 HG LEU 57 6.286 1.305 -0.849 463 1HD1 LEU 57 HD11 LEU 57 7.780 0.953 1.045 464 2HD1 LEU 57 HD12 LEU 57 6.595 -0.120 1.787 465 3HD1 LEU 57 HD13 LEU 57 6.222 1.591 1.570 466 1HD2 LEU 57 HD21 LEU 57 6.475 -0.909 -1.853 467 2HD2 LEU 57 HD22 LEU 57 6.731 -1.620 -0.258 468 3HD2 LEU 57 HD23 LEU 57 7.924 -0.509 -0.932 469 H CYS 58 HN CYS 58 2.167 1.714 -0.465 470 HA CYS 58 HA CYS 58 0.049 -0.023 0.147 471 1HB CYS 58 HB2 CYS 58 0.230 2.255 1.055 472 2HB CYS 58 HB1 CYS 58 -0.035 2.920 -0.557 473 HG CYS 58 HG CYS 58 -2.604 1.178 -0.317 474 H VAL 59 HN VAL 59 0.800 1.813 -2.773 475 HA VAL 59 HA VAL 59 -1.535 1.228 -4.225 476 HB VAL 59 HB VAL 59 1.256 1.893 -5.160 477 1HG1 VAL 59 HG11 VAL 59 -1.269 1.737 -6.807 478 2HG1 VAL 59 HG12 VAL 59 0.112 0.646 -6.926 479 3HG1 VAL 59 HG13 VAL 59 0.289 2.346 -7.361 480 1HG2 VAL 59 HG21 VAL 59 0.123 3.648 -3.923 481 2HG2 VAL 59 HG22 VAL 59 -1.275 3.517 -4.993 482 3HG2 VAL 59 HG23 VAL 59 0.272 4.081 -5.626 483 H ALA 60 HN ALA 60 1.471 -0.558 -3.811 484 HA ALA 60 HA ALA 60 1.127 -2.424 -5.862 485 1HB ALA 60 HB1 ALA 60 2.735 -3.794 -4.691 486 2HB ALA 60 HB2 ALA 60 2.471 -2.890 -3.199 487 3HB ALA 60 HB3 ALA 60 3.218 -2.101 -4.588 488 H ALA 61 HN ALA 61 -0.181 -2.382 -2.546 489 HA ALA 61 HA ALA 61 -1.375 -4.985 -2.803 490 1HB ALA 61 HB1 ALA 61 -2.109 -2.723 -0.940 491 2HB ALA 61 HB2 ALA 61 -0.907 -3.973 -0.616 492 3HB ALA 61 HB3 ALA 61 -2.607 -4.408 -0.788 493 H PHE 62 HN PHE 62 -2.412 -1.676 -3.475 494 HA PHE 62 HA PHE 62 -5.094 -2.166 -4.090 495 1HB PHE 62 HB2 PHE 62 -3.127 -0.171 -5.199 496 2HB PHE 62 HB1 PHE 62 -4.787 -0.251 -5.769 497 HD1 PHE 62 HD1 PHE 62 -6.332 -0.635 -3.365 498 HD2 PHE 62 HD2 PHE 62 -2.886 1.777 -4.003 499 HE1 PHE 62 HE1 PHE 62 -7.061 0.885 -1.568 500 HE2 PHE 62 HE2 PHE 62 -3.604 3.294 -2.202 501 HZ PHE 62 HZ PHE 62 -5.694 2.843 -0.980 502 H GLU 63 HN GLU 63 -2.214 -2.322 -6.156 503 HA GLU 63 HA GLU 63 -3.419 -3.021 -8.563 504 1HB GLU 63 HB2 GLU 63 -0.798 -4.158 -7.576 505 2HB GLU 63 HB1 GLU 63 -1.288 -3.904 -9.244 506 1HG GLU 63 HG2 GLU 63 -1.272 -1.460 -8.806 507 2HG GLU 63 HG1 GLU 63 -0.629 -1.794 -7.203 508 H HIS 64 HN HIS 64 -2.549 -4.975 -5.801 509 HA HIS 64 HA HIS 64 -2.980 -7.484 -7.113 510 1HB HIS 64 HB2 HIS 64 -2.307 -6.594 -4.352 511 2HB HIS 64 HB1 HIS 64 -2.902 -8.227 -4.572 512 HD1 HIS 64 HD1 HIS 64 -0.001 -6.012 -5.478 513 HD2 HIS 64 HD2 HIS 64 -1.153 -9.995 -5.811 514 HE1 HIS 64 HE1 HIS 64 2.034 -7.240 -6.292 515 HE2 HIS 64 HE2 HIS 64 1.225 -9.580 -6.746 516 H ALA 65 HN ALA 65 -4.757 -5.577 -4.728 517 HA ALA 65 HA ALA 65 -6.896 -7.381 -4.445 518 1HB ALA 65 HB1 ALA 65 -6.464 -5.605 -2.842 519 2HB ALA 65 HB2 ALA 65 -8.108 -5.498 -3.473 520 3HB ALA 65 HB3 ALA 65 -6.864 -4.395 -4.060 521 H SER 66 HN SER 66 -6.682 -4.369 -6.357 522 HA SER 66 HA SER 66 -9.176 -4.502 -7.536 523 1HB SER 66 HB2 SER 66 -7.585 -2.579 -7.681 524 2HB SER 66 HB1 SER 66 -6.671 -3.476 -8.892 525 HG SER 66 HG SER 66 -9.443 -2.918 -9.172 526 H SER 67 HN SER 67 -6.199 -6.104 -8.614 527 HA SER 67 HA SER 67 -7.335 -7.022 -11.071 528 1HB SER 67 HB2 SER 67 -4.884 -8.018 -9.599 529 2HB SER 67 HB1 SER 67 -5.281 -8.330 -11.290 530 HG SER 67 HG SER 67 -4.249 -6.058 -10.083 531 H HIS 68 HN HIS 68 -7.242 -8.229 -7.813 532 HA HIS 68 HA HIS 68 -8.154 -10.879 -8.688 533 1HB HIS 68 HB2 HIS 68 -6.221 -10.522 -7.023 534 2HB HIS 68 HB1 HIS 68 -7.468 -10.083 -5.865 535 HD1 HIS 68 HD1 HIS 68 -6.422 -13.017 -8.022 536 HD2 HIS 68 HD2 HIS 68 -8.606 -12.208 -4.578 537 HE1 HIS 68 HE1 HIS 68 -6.972 -15.259 -7.023 538 HE2 HIS 68 HE2 HIS 68 -8.053 -14.726 -4.811 539 H SER 69 HN SER 69 -9.581 -8.094 -8.208 540 HA SER 69 HA SER 69 -11.672 -7.386 -7.697 541 1HB SER 69 HB2 SER 69 -12.297 -10.344 -7.516 542 2HB SER 69 HB1 SER 69 -13.486 -9.045 -7.629 543 HG SER 69 HG SER 69 -12.306 -10.291 -9.615 544 H ILE 70 HN ILE 70 -9.753 -7.557 -5.666 545 HA ILE 70 HA ILE 70 -11.283 -8.309 -3.283 546 HB ILE 70 HB ILE 70 -8.331 -7.644 -3.589 547 1HG1 ILE 70 HG12 ILE 70 -9.768 -10.266 -3.086 548 2HG1 ILE 70 HG11 ILE 70 -8.927 -9.806 -4.563 549 1HG2 ILE 70 HG21 ILE 70 -9.846 -8.594 -1.155 550 2HG2 ILE 70 HG22 ILE 70 -9.167 -6.983 -1.392 551 3HG2 ILE 70 HG23 ILE 70 -8.098 -8.380 -1.273 552 1HD1 ILE 70 HD11 ILE 70 -7.600 -11.336 -3.222 553 2HD1 ILE 70 HD12 ILE 70 -7.656 -10.210 -1.865 554 3HD1 ILE 70 HD13 ILE 70 -6.813 -9.762 -3.348 555 H SER 71 HN SER 71 -11.794 -6.817 -1.716 556 HA SER 71 HA SER 71 -11.553 -4.001 -2.449 557 1HB SER 71 HB2 SER 71 -13.027 -5.320 -0.148 558 2HB SER 71 HB1 SER 71 -13.145 -3.622 -0.613 559 HG SER 71 HG SER 71 -13.978 -4.352 -2.649 560 H ILE 72 HN ILE 72 -10.980 -2.499 -0.491 561 HA ILE 72 HA ILE 72 -8.822 -3.748 1.072 562 HB ILE 72 HB ILE 72 -8.514 -1.485 -0.908 563 1HG1 ILE 72 HG12 ILE 72 -7.209 -4.163 -0.511 564 2HG1 ILE 72 HG11 ILE 72 -8.076 -3.569 -1.925 565 1HG2 ILE 72 HG21 ILE 72 -6.256 -1.081 -0.091 566 2HG2 ILE 72 HG22 ILE 72 -6.542 -2.191 1.253 567 3HG2 ILE 72 HG23 ILE 72 -7.470 -0.693 1.129 568 1HD1 ILE 72 HD11 ILE 72 -5.392 -2.600 -0.960 569 2HD1 ILE 72 HD12 ILE 72 -6.264 -2.002 -2.373 570 3HD1 ILE 72 HD13 ILE 72 -5.692 -3.669 -2.332 571 H ILE 73 HN ILE 73 -8.069 -2.506 2.822 572 HA ILE 73 HA ILE 73 -9.501 -0.061 3.619 573 HB ILE 73 HB ILE 73 -9.141 -2.583 5.276 574 1HG1 ILE 73 HG12 ILE 73 -11.243 -2.313 3.953 575 2HG1 ILE 73 HG11 ILE 73 -11.503 -2.444 5.688 576 1HG2 ILE 73 HG21 ILE 73 -9.760 0.185 6.303 577 2HG2 ILE 73 HG22 ILE 73 -8.292 -0.749 6.607 578 3HG2 ILE 73 HG23 ILE 73 -9.842 -1.300 7.252 579 1HD1 ILE 73 HD11 ILE 73 -11.812 -0.034 5.829 580 2HD1 ILE 73 HD12 ILE 73 -12.945 -0.766 4.692 581 3HD1 ILE 73 HD13 ILE 73 -11.533 0.106 4.093 582 HA PRO 74 HA PRO 74 -5.059 0.391 4.210 583 1HB PRO 74 HB2 PRO 74 -5.109 3.136 3.729 584 2HB PRO 74 HB1 PRO 74 -4.892 1.867 2.518 585 1HG PRO 74 HG2 PRO 74 -7.109 3.631 2.793 586 2HG PRO 74 HG1 PRO 74 -6.951 2.270 1.671 587 1HD PRO 74 HD2 PRO 74 -8.363 2.420 4.281 588 2HD PRO 74 HD1 PRO 74 -8.699 1.396 2.867 589 H SER 75 HN SER 75 -4.771 0.051 6.408 590 HA SER 75 HA SER 75 -5.271 2.120 8.347 591 1HB SER 75 HB2 SER 75 -3.440 -0.296 8.459 592 2HB SER 75 HB1 SER 75 -3.890 0.708 9.838 593 HG SER 75 HG SER 75 -5.360 -1.225 8.469 594 H CYS 76 HN CYS 76 -2.953 1.334 6.037 595 HA CYS 76 HA CYS 76 -0.818 3.044 6.675 596 1HB CYS 76 HB2 CYS 76 -1.745 2.325 3.902 597 2HB CYS 76 HB1 CYS 76 -0.119 2.747 4.427 598 HG CYS 76 HG CYS 76 0.621 0.411 5.201 599 H SER 77 HN SER 77 -3.612 4.150 6.882 600 HA SER 77 HA SER 77 -4.477 5.699 4.826 601 1HB SER 77 HB2 SER 77 -5.591 7.048 6.705 602 2HB SER 77 HB1 SER 77 -5.930 5.320 6.610 603 HG SER 77 HG SER 77 -5.323 5.363 8.628 604 H TYR 78 HN TYR 78 -1.599 6.450 6.604 605 HA TYR 78 HA TYR 78 -1.442 9.201 6.083 606 1HB TYR 78 HB2 TYR 78 0.561 8.678 7.028 607 2HB TYR 78 HB1 TYR 78 0.487 7.012 6.465 608 HD1 TYR 78 HD1 TYR 78 1.414 10.466 5.426 609 HD2 TYR 78 HD2 TYR 78 1.742 6.306 4.592 610 HE1 TYR 78 HE1 TYR 78 3.117 10.945 3.715 611 HE2 TYR 78 HE2 TYR 78 3.443 6.765 2.880 612 HH TYR 78 HH TYR 78 4.980 9.786 2.580 613 H VAL 79 HN VAL 79 -0.821 6.396 4.046 614 HA VAL 79 HA VAL 79 -0.238 7.779 1.648 615 HB VAL 79 HB VAL 79 -1.361 4.992 2.023 616 1HG1 VAL 79 HG11 VAL 79 -0.038 6.258 -0.374 617 2HG1 VAL 79 HG12 VAL 79 -1.741 5.824 -0.228 618 3HG1 VAL 79 HG13 VAL 79 -0.508 4.563 -0.236 619 1HG2 VAL 79 HG21 VAL 79 0.779 5.292 3.153 620 2HG2 VAL 79 HG22 VAL 79 1.489 5.904 1.659 621 3HG2 VAL 79 HG23 VAL 79 0.942 4.230 1.755 622 H SER 80 HN SER 80 -3.183 6.219 2.893 623 HA SER 80 HA SER 80 -4.675 6.627 0.531 624 1HB SER 80 HB2 SER 80 -6.642 6.018 1.833 625 2HB SER 80 HB1 SER 80 -5.293 4.967 2.260 626 HG SER 80 HG SER 80 -6.718 6.149 3.948 627 H ASP 81 HN ASP 81 -4.132 8.622 3.315 628 HA ASP 81 HA ASP 81 -6.265 10.437 2.893 629 1HB ASP 81 HB2 ASP 81 -5.269 10.250 5.076 630 2HB ASP 81 HB1 ASP 81 -3.679 10.663 4.450 631 H THR 82 HN THR 82 -2.763 10.683 2.151 632 HA THR 82 HA THR 82 -3.292 13.130 0.683 633 HB THR 82 HB THR 82 -1.295 13.120 2.034 634 HG1 THR 82 HG1 THR 82 -0.348 14.279 0.552 635 1HG2 THR 82 HG21 THR 82 -0.738 10.759 2.033 636 2HG2 THR 82 HG22 THR 82 0.646 11.701 1.477 637 3HG2 THR 82 HG23 THR 82 -0.351 10.826 0.314 638 H PHE 83 HN PHE 83 -2.164 9.849 -0.055 639 HA PHE 83 HA PHE 83 -1.464 10.491 -2.748 640 1HB PHE 83 HB2 PHE 83 -0.601 8.634 -1.104 641 2HB PHE 83 HB1 PHE 83 -1.889 7.689 -1.836 642 HD1 PHE 83 HD1 PHE 83 -1.022 6.192 -3.328 643 HD2 PHE 83 HD2 PHE 83 0.568 10.139 -3.218 644 HE1 PHE 83 HE1 PHE 83 0.418 5.661 -5.250 645 HE2 PHE 83 HE2 PHE 83 2.018 9.608 -5.133 646 HZ PHE 83 HZ PHE 83 2.008 7.371 -6.103 647 H LEU 84 HN LEU 84 -4.275 8.937 -1.245 648 HA LEU 84 HA LEU 84 -5.298 7.867 -3.651 649 1HB LEU 84 HB2 LEU 84 -6.478 8.427 -0.975 650 2HB LEU 84 HB1 LEU 84 -7.534 7.972 -2.300 651 HG LEU 84 HG LEU 84 -5.185 6.342 -1.309 652 1HD1 LEU 84 HD11 LEU 84 -8.146 5.919 -0.974 653 2HD1 LEU 84 HD12 LEU 84 -7.017 6.396 0.296 654 3HD1 LEU 84 HD13 LEU 84 -6.873 4.810 -0.462 655 1HD2 LEU 84 HD21 LEU 84 -6.094 4.600 -2.768 656 2HD2 LEU 84 HD22 LEU 84 -5.612 6.031 -3.680 657 3HD2 LEU 84 HD23 LEU 84 -7.318 5.731 -3.347 658 HA PRO 85 HA PRO 85 -7.827 11.991 -4.067 659 1HB PRO 85 HB2 PRO 85 -6.072 13.874 -2.643 660 2HB PRO 85 HB1 PRO 85 -7.832 13.758 -2.638 661 1HG PRO 85 HG2 PRO 85 -6.334 13.035 -0.522 662 2HG PRO 85 HG1 PRO 85 -7.859 12.231 -0.928 663 1HD PRO 85 HD2 PRO 85 -5.050 11.304 -1.357 664 2HD PRO 85 HD1 PRO 85 -6.507 10.375 -0.939 665 H ARG 86 HN ARG 86 -4.371 11.672 -3.838 666 HA ARG 86 HA ARG 86 -3.728 13.578 -5.870 667 1HB ARG 86 HB2 ARG 86 -2.085 13.013 -4.194 668 2HB ARG 86 HB1 ARG 86 -2.151 11.311 -4.632 669 1HG ARG 86 HG2 ARG 86 -1.124 11.771 -6.758 670 2HG ARG 86 HG1 ARG 86 -1.176 13.510 -6.448 671 1HD ARG 86 HD2 ARG 86 0.374 13.299 -4.639 672 2HD ARG 86 HD1 ARG 86 0.294 11.538 -4.707 673 HE ARG 86 HE ARG 86 1.167 12.275 -7.190 674 1HH1 ARG 86 HH11 ARG 86 2.259 12.930 -3.928 675 2HH1 ARG 86 HH12 ARG 86 3.945 12.966 -4.357 676 1HH2 ARG 86 HH21 ARG 86 3.392 12.322 -7.765 677 2HH2 ARG 86 HH22 ARG 86 4.583 12.616 -6.530 678 H ASN 87 HN ASN 87 -4.255 10.080 -5.791 679 HA ASN 87 HA ASN 87 -4.819 10.228 -8.646 680 1HB ASN 87 HB2 ASN 87 -3.639 8.032 -9.035 681 2HB ASN 87 HB1 ASN 87 -2.590 9.416 -8.767 682 1HD2 ASN 87 HD21 ASN 87 -1.406 9.543 -6.868 683 2HD2 ASN 87 HD22 ASN 87 -1.144 8.171 -5.854 684 HA PRO 88 HA PRO 88 -8.059 8.010 -6.323 685 1HB PRO 88 HB2 PRO 88 -9.929 9.434 -8.027 686 2HB PRO 88 HB1 PRO 88 -9.745 9.517 -6.275 687 1HG PRO 88 HG2 PRO 88 -9.105 11.574 -7.938 688 2HG PRO 88 HG1 PRO 88 -8.299 11.293 -6.384 689 1HD PRO 88 HD2 PRO 88 -7.375 10.603 -9.149 690 2HD PRO 88 HD1 PRO 88 -6.453 11.267 -7.785 691 H SER 89 HN SER 89 -7.288 6.117 -7.465 692 HA SER 89 HA SER 89 -9.149 5.414 -9.635 693 1HB SER 89 HB2 SER 89 -6.773 5.990 -10.444 694 2HB SER 89 HB1 SER 89 -6.271 4.502 -9.642 695 HG SER 89 HG SER 89 -6.936 3.490 -11.351 696 H TRP 90 HN TRP 90 -8.258 4.850 -6.602 697 HA TRP 90 HA TRP 90 -8.519 1.919 -6.774 698 1HB TRP 90 HB2 TRP 90 -7.414 3.402 -4.399 699 2HB TRP 90 HB1 TRP 90 -7.160 1.721 -4.862 700 HD1 TRP 90 HD1 TRP 90 -5.515 5.000 -4.982 701 HE1 TRP 90 HE1 TRP 90 -3.495 4.976 -6.559 702 HE3 TRP 90 HE3 TRP 90 -6.432 0.580 -7.390 703 HZ2 TRP 90 HZ2 TRP 90 -2.427 3.299 -8.574 704 HZ3 TRP 90 HZ3 TRP 90 -4.864 -0.159 -9.135 705 HH2 TRP 90 HH2 TRP 90 -2.902 1.176 -9.713 706 H LYS 91 HN LYS 91 -10.430 4.305 -6.546 707 HA LYS 91 HA LYS 91 -11.673 4.303 -4.041 708 1HB LYS 91 HB2 LYS 91 -11.935 6.046 -5.806 709 2HB LYS 91 HB1 LYS 91 -12.949 4.930 -6.705 710 1HG LYS 91 HG2 LYS 91 -14.606 4.945 -4.971 711 2HG LYS 91 HG1 LYS 91 -13.562 5.909 -3.926 712 1HD LYS 91 HD2 LYS 91 -13.644 7.743 -5.564 713 2HD LYS 91 HD1 LYS 91 -14.724 6.780 -6.574 714 1HE LYS 91 HE2 LYS 91 -15.311 7.673 -3.749 715 2HE LYS 91 HE1 LYS 91 -15.927 8.443 -5.211 716 1HZ LYS 91 HZ1 LYS 91 -16.514 5.692 -4.257 717 2HZ LYS 91 HZ2 LYS 91 -16.977 6.287 -5.773 718 3HZ LYS 91 HZ3 LYS 91 -17.595 6.999 -4.361 719 HA PRO 92 HA PRO 92 -14.817 1.050 -6.045 720 1HB PRO 92 HB2 PRO 92 -12.795 -0.507 -7.560 721 2HB PRO 92 HB1 PRO 92 -14.488 -0.180 -7.948 722 1HG PRO 92 HG2 PRO 92 -12.556 1.097 -9.237 723 2HG PRO 92 HG1 PRO 92 -14.028 1.955 -8.741 724 1HD PRO 92 HD2 PRO 92 -11.306 1.991 -7.501 725 2HD PRO 92 HD1 PRO 92 -12.448 3.326 -7.752 726 H LEU 93 HN LEU 93 -11.600 0.624 -4.884 727 HA LEU 93 HA LEU 93 -12.085 -2.083 -3.909 728 1HB LEU 93 HB2 LEU 93 -9.684 -0.379 -3.323 729 2HB LEU 93 HB1 LEU 93 -9.797 -2.129 -3.356 730 HG LEU 93 HG LEU 93 -10.138 -0.446 -5.812 731 1HD1 LEU 93 HD11 LEU 93 -7.805 -0.903 -6.329 732 2HD1 LEU 93 HD12 LEU 93 -7.613 -1.727 -4.781 733 3HD1 LEU 93 HD13 LEU 93 -7.949 0.007 -4.821 734 1HD2 LEU 93 HD21 LEU 93 -9.466 -3.354 -5.377 735 2HD2 LEU 93 HD22 LEU 93 -9.583 -2.552 -6.944 736 3HD2 LEU 93 HD23 LEU 93 -11.016 -2.714 -5.927 737 H ILE 94 HN ILE 94 -11.745 1.187 -2.756 738 HA ILE 94 HA ILE 94 -12.166 0.243 -0.005 739 HB ILE 94 HB ILE 94 -10.663 1.961 0.813 740 1HG1 ILE 94 HG12 ILE 94 -9.511 2.664 -1.786 741 2HG1 ILE 94 HG11 ILE 94 -11.144 3.274 -1.550 742 1HG2 ILE 94 HG21 ILE 94 -9.392 0.378 -1.409 743 2HG2 ILE 94 HG22 ILE 94 -9.670 -0.176 0.243 744 3HG2 ILE 94 HG23 ILE 94 -8.538 1.140 -0.067 745 1HD1 ILE 94 HD11 ILE 94 -10.446 4.324 0.532 746 2HD1 ILE 94 HD12 ILE 94 -9.463 4.879 -0.825 747 3HD1 ILE 94 HD13 ILE 94 -8.818 3.685 0.308 748 H HIS 95 HN HIS 95 -12.273 2.755 1.178 749 HA HIS 95 HA HIS 95 -14.839 3.724 0.499 750 1HB HIS 95 HB2 HIS 95 -12.644 4.594 2.333 751 2HB HIS 95 HB1 HIS 95 -13.977 5.710 2.008 752 HD1 HIS 95 HD1 HIS 95 -16.447 4.187 2.246 753 HD2 HIS 95 HD2 HIS 95 -13.141 3.238 4.596 754 HE1 HIS 95 HE1 HIS 95 -17.357 2.951 4.238 755 HE2 HIS 95 HE2 HIS 95 -15.365 2.497 5.707 756 H SER 96 HN SER 96 -11.816 5.636 0.439 757 HA SER 96 HA SER 96 -11.858 6.374 -2.236 758 1HB SER 96 HB2 SER 96 -14.058 7.424 -1.648 759 2HB SER 96 HB1 SER 96 -13.206 8.466 -0.506 760 HG SER 96 HG SER 96 -11.874 8.792 -2.664 761 H GLU 97 HN GLU 97 -11.149 7.172 1.063 762 HA GLU 97 HA GLU 97 -8.545 8.133 0.462 763 1HB GLU 97 HB2 GLU 97 -9.988 10.076 -0.094 764 2HB GLU 97 HB1 GLU 97 -10.605 10.074 1.553 765 1HG GLU 97 HG2 GLU 97 -8.257 10.514 2.318 766 2HG GLU 97 HG1 GLU 97 -7.815 10.710 0.622 767 H VAL 98 HN VAL 98 -8.443 9.595 3.055 768 HA VAL 98 HA VAL 98 -7.655 7.433 4.625 769 HB VAL 98 HB VAL 98 -6.651 9.563 4.986 770 1HG1 VAL 98 HG11 VAL 98 -7.838 11.469 5.949 771 2HG1 VAL 98 HG12 VAL 98 -9.350 10.563 5.880 772 3HG1 VAL 98 HG13 VAL 98 -8.514 11.002 4.389 773 1HG2 VAL 98 HG21 VAL 98 -6.710 8.113 6.926 774 2HG2 VAL 98 HG22 VAL 98 -8.266 8.789 7.409 775 3HG2 VAL 98 HG23 VAL 98 -6.822 9.802 7.417 776 H PHE 99 HN PHE 99 -10.586 9.475 5.071 777 HA PHE 99 HA PHE 99 -12.040 7.331 6.254 778 1HB PHE 99 HB2 PHE 99 -10.469 8.036 8.111 779 2HB PHE 99 HB1 PHE 99 -11.251 9.611 8.088 780 HD1 PHE 99 HD1 PHE 99 -12.013 5.991 8.485 781 HD2 PHE 99 HD2 PHE 99 -13.077 9.996 9.444 782 HE1 PHE 99 HE1 PHE 99 -13.714 5.158 10.055 783 HE2 PHE 99 HE2 PHE 99 -14.781 9.173 11.014 784 HZ PHE 99 HZ PHE 99 -15.104 6.744 11.315 785 H LYS 100 HN LYS 100 -11.786 9.985 4.503 786 HA LYS 100 HA LYS 100 -14.052 11.511 5.278 787 1HB LYS 100 HB2 LYS 100 -13.764 12.649 3.108 788 2HB LYS 100 HB1 LYS 100 -12.268 12.561 4.024 789 1HG LYS 100 HG2 LYS 100 -11.507 12.012 1.952 790 2HG LYS 100 HG1 LYS 100 -11.889 10.406 2.568 791 1HD LYS 100 HD2 LYS 100 -12.710 10.667 0.297 792 2HD LYS 100 HD1 LYS 100 -14.061 10.495 1.424 793 1HE LYS 100 HE2 LYS 100 -14.293 12.963 1.443 794 2HE LYS 100 HE1 LYS 100 -13.010 13.063 0.237 795 1HZ LYS 100 HZ1 LYS 100 -14.383 11.827 -1.302 796 2HZ LYS 100 HZ2 LYS 100 -15.224 13.192 -0.752 797 3HZ LYS 100 HZ3 LYS 100 -15.602 11.661 -0.136 798 H SER 101 HN SER 101 -13.848 8.474 4.054 799 HA SER 101 HA SER 101 -15.602 7.041 3.843 800 1HB SER 101 HB2 SER 101 -17.056 8.102 5.226 801 2HB SER 101 HB1 SER 101 -16.869 9.641 4.387 802 HG SER 101 HG SER 101 -18.860 7.899 4.218 803 H SER 102 HN SER 102 -17.420 6.478 2.285 804 HA SER 102 HA SER 102 -16.855 7.571 -0.393 805 1HB SER 102 HB2 SER 102 -17.592 5.203 -1.149 806 2HB SER 102 HB1 SER 102 -15.975 5.386 -0.470 807 HG SER 102 HG SER 102 -17.945 3.815 0.375 808 H ILE 103 HN ILE 103 -19.233 5.656 1.403 809 HA ILE 103 HA ILE 103 -21.366 7.352 0.296 810 HB ILE 103 HB ILE 103 -21.488 4.378 0.854 811 1HG1 ILE 103 HG12 ILE 103 -20.428 4.915 -1.287 812 2HG1 ILE 103 HG11 ILE 103 -22.004 4.180 -1.544 813 1HG2 ILE 103 HG21 ILE 103 -23.699 6.210 -0.063 814 2HG2 ILE 103 HG22 ILE 103 -23.541 5.521 1.554 815 3HG2 ILE 103 HG23 ILE 103 -23.811 4.464 0.168 816 1HD1 ILE 103 HD11 ILE 103 -22.964 6.359 -2.014 817 2HD1 ILE 103 HD12 ILE 103 -21.595 6.033 -3.075 818 3HD1 ILE 103 HD13 ILE 103 -21.406 7.126 -1.705 Start of MODEL 3 1 1H MET 1 HT1 MET 1 14.428 11.318 -13.338 2 2H MET 1 HT2 MET 1 12.797 11.717 -13.121 3 3H MET 1 HT3 MET 1 13.987 12.902 -12.912 4 HA MET 1 HA MET 1 12.905 13.241 -14.993 5 1HB MET 1 HB2 MET 1 15.674 12.059 -15.323 6 2HB MET 1 HB1 MET 1 14.852 13.033 -16.532 7 1HG MET 1 HG2 MET 1 16.344 14.478 -15.447 8 2HG MET 1 HG1 MET 1 14.748 14.872 -14.811 9 1HE MET 1 HE1 MET 1 18.271 13.344 -14.071 10 2HE MET 1 HE2 MET 1 17.239 11.917 -13.988 11 3HE MET 1 HE3 MET 1 18.012 12.532 -12.527 12 H ALA 2 HN ALA 2 14.754 10.202 -15.382 13 HA ALA 2 HA ALA 2 12.933 9.424 -17.503 14 1HB ALA 2 HB1 ALA 2 15.347 9.186 -17.816 15 2HB ALA 2 HB2 ALA 2 14.518 7.635 -17.943 16 3HB ALA 2 HB3 ALA 2 15.406 8.044 -16.474 17 H THR 3 HN THR 3 12.390 9.330 -14.453 18 HA THR 3 HA THR 3 11.383 8.033 -12.904 19 HB THR 3 HB THR 3 9.580 6.500 -13.772 20 HG1 THR 3 HG1 THR 3 10.957 6.618 -16.000 21 1HG2 THR 3 HG21 THR 3 9.630 9.319 -14.847 22 2HG2 THR 3 HG22 THR 3 9.140 8.837 -13.225 23 3HG2 THR 3 HG23 THR 3 8.187 8.329 -14.619 24 H GLU 4 HN GLU 4 12.911 6.883 -11.874 25 HA GLU 4 HA GLU 4 14.042 4.514 -13.098 26 1HB GLU 4 HB2 GLU 4 14.568 5.732 -10.378 27 2HB GLU 4 HB1 GLU 4 15.531 4.486 -11.164 28 1HG GLU 4 HG2 GLU 4 16.203 6.015 -12.891 29 2HG GLU 4 HG1 GLU 4 15.122 7.257 -12.265 30 HA PRO 5 HA PRO 5 10.666 2.209 -11.372 31 1HB PRO 5 HB2 PRO 5 11.469 -0.240 -12.246 32 2HB PRO 5 HB1 PRO 5 10.702 0.962 -13.292 33 1HG PRO 5 HG2 PRO 5 13.606 0.309 -12.967 34 2HG PRO 5 HG1 PRO 5 12.686 0.614 -14.453 35 1HD PRO 5 HD2 PRO 5 14.249 2.498 -13.324 36 2HD PRO 5 HD1 PRO 5 12.743 2.904 -14.170 37 HA PRO 6 HA PRO 6 12.674 0.822 -7.557 38 1HB PRO 6 HB2 PRO 6 9.855 0.588 -6.720 39 2HB PRO 6 HB1 PRO 6 11.168 1.514 -5.987 40 1HG PRO 6 HG2 PRO 6 9.175 2.741 -7.290 41 2HG PRO 6 HG1 PRO 6 10.846 3.340 -7.387 42 1HD PRO 6 HD2 PRO 6 9.314 1.680 -9.366 43 2HD PRO 6 HD1 PRO 6 10.363 3.089 -9.648 44 H LYS 7 HN LYS 7 12.543 -1.236 -6.380 45 HA LYS 7 HA LYS 7 11.417 -3.320 -8.137 46 1HB LYS 7 HB2 LYS 7 14.040 -2.905 -7.954 47 2HB LYS 7 HB1 LYS 7 13.844 -3.887 -6.507 48 1HG LYS 7 HG2 LYS 7 14.487 -5.201 -8.481 49 2HG LYS 7 HG1 LYS 7 12.934 -5.699 -7.804 50 1HD LYS 7 HD2 LYS 7 12.944 -5.564 -10.290 51 2HD LYS 7 HD1 LYS 7 11.738 -4.528 -9.528 52 1HE LYS 7 HE2 LYS 7 12.829 -3.331 -11.325 53 2HE LYS 7 HE1 LYS 7 13.264 -2.611 -9.776 54 1HZ LYS 7 HZ1 LYS 7 14.945 -4.491 -11.346 55 2HZ LYS 7 HZ2 LYS 7 15.370 -3.797 -9.856 56 3HZ LYS 7 HZ3 LYS 7 15.180 -2.816 -11.227 57 H ILE 8 HN ILE 8 9.585 -3.554 -6.912 58 HA ILE 8 HA ILE 8 9.885 -3.831 -4.051 59 HB ILE 8 HB ILE 8 7.289 -3.958 -5.598 60 1HG1 ILE 8 HG12 ILE 8 8.623 -1.875 -6.063 61 2HG1 ILE 8 HG11 ILE 8 7.076 -1.576 -5.269 62 1HG2 ILE 8 HG21 ILE 8 7.955 -3.319 -2.725 63 2HG2 ILE 8 HG22 ILE 8 7.156 -4.777 -3.319 64 3HG2 ILE 8 HG23 ILE 8 6.346 -3.214 -3.444 65 1HD1 ILE 8 HD11 ILE 8 8.813 -0.188 -4.331 66 2HD1 ILE 8 HD12 ILE 8 9.787 -1.610 -3.963 67 3HD1 ILE 8 HD13 ILE 8 8.254 -1.349 -3.129 68 H VAL 9 HN VAL 9 9.804 -5.607 -2.959 69 HA VAL 9 HA VAL 9 9.549 -8.153 -4.401 70 HB VAL 9 HB VAL 9 10.817 -7.564 -1.716 71 1HG1 VAL 9 HG11 VAL 9 11.030 -10.009 -3.464 72 2HG1 VAL 9 HG12 VAL 9 10.056 -9.883 -1.998 73 3HG1 VAL 9 HG13 VAL 9 11.814 -9.761 -1.904 74 1HG2 VAL 9 HG21 VAL 9 11.990 -6.423 -3.510 75 2HG2 VAL 9 HG22 VAL 9 12.111 -7.937 -4.406 76 3HG2 VAL 9 HG23 VAL 9 12.958 -7.751 -2.869 77 H TRP 10 HN TRP 10 8.105 -9.686 -3.698 78 HA TRP 10 HA TRP 10 6.268 -8.837 -1.584 79 1HB TRP 10 HB2 TRP 10 5.245 -9.457 -3.708 80 2HB TRP 10 HB1 TRP 10 6.031 -11.029 -3.652 81 HD1 TRP 10 HD1 TRP 10 4.652 -10.059 -0.310 82 HE1 TRP 10 HE1 TRP 10 2.483 -11.366 0.150 83 HE3 TRP 10 HE3 TRP 10 3.798 -11.919 -5.001 84 HZ2 TRP 10 HZ2 TRP 10 0.644 -12.945 -1.280 85 HZ3 TRP 10 HZ3 TRP 10 1.802 -13.310 -5.367 86 HH2 TRP 10 HH2 TRP 10 0.258 -13.811 -3.545 87 H ASN 11 HN ASN 11 6.840 -9.471 0.368 88 HA ASN 11 HA ASN 11 8.290 -11.976 0.728 89 1HB ASN 11 HB2 ASN 11 8.851 -9.767 1.953 90 2HB ASN 11 HB1 ASN 11 7.422 -10.102 2.927 91 1HD2 ASN 11 HD21 ASN 11 7.442 -11.829 4.356 92 2HD2 ASN 11 HD22 ASN 11 8.904 -12.641 4.814 93 H GLU 12 HN GLU 12 6.768 -13.490 0.267 94 HA GLU 12 HA GLU 12 4.037 -13.294 0.847 95 1HB GLU 12 HB2 GLU 12 5.653 -15.805 0.393 96 2HB GLU 12 HB1 GLU 12 3.916 -15.637 0.195 97 1HG GLU 12 HG2 GLU 12 4.250 -14.090 -1.643 98 2HG GLU 12 HG1 GLU 12 5.996 -14.173 -1.420 99 H GLY 13 HN GLY 13 6.699 -14.591 2.711 100 1HA GLY 13 HA2 GLY 13 5.186 -16.083 4.574 101 2HA GLY 13 HA1 GLY 13 6.818 -15.481 4.820 102 H LYS 14 HN LYS 14 5.431 -12.712 4.174 103 HA LYS 14 HA LYS 14 4.371 -12.319 6.899 104 1HB LYS 14 HB2 LYS 14 6.104 -10.427 5.299 105 2HB LYS 14 HB1 LYS 14 5.328 -10.020 6.823 106 1HG LYS 14 HG2 LYS 14 7.407 -12.162 6.429 107 2HG LYS 14 HG1 LYS 14 7.681 -10.556 7.107 108 1HD LYS 14 HD2 LYS 14 6.248 -11.049 8.983 109 2HD LYS 14 HD1 LYS 14 5.785 -12.595 8.269 110 1HE LYS 14 HE2 LYS 14 7.426 -12.952 10.008 111 2HE LYS 14 HE1 LYS 14 8.117 -13.348 8.436 112 1HZ LYS 14 HZ1 LYS 14 8.553 -10.793 9.892 113 2HZ LYS 14 HZ2 LYS 14 9.265 -11.241 8.419 114 3HZ LYS 14 HZ3 LYS 14 9.647 -12.084 9.837 115 H ARG 15 HN ARG 15 3.440 -12.531 3.858 116 HA ARG 15 HA ARG 15 1.788 -11.675 2.534 117 1HB ARG 15 HB2 ARG 15 0.771 -10.666 5.198 118 2HB ARG 15 HB1 ARG 15 -0.161 -10.676 3.711 119 1HG ARG 15 HG2 ARG 15 -0.124 -13.090 3.660 120 2HG ARG 15 HG1 ARG 15 0.925 -13.122 5.081 121 1HD ARG 15 HD2 ARG 15 -0.781 -12.214 6.467 122 2HD ARG 15 HD1 ARG 15 -1.797 -11.837 5.077 123 HE ARG 15 HE ARG 15 -1.370 -14.599 5.086 124 1HH1 ARG 15 HH11 ARG 15 -2.847 -12.205 7.174 125 2HH1 ARG 15 HH12 ARG 15 -4.108 -13.276 7.723 126 1HH2 ARG 15 HH21 ARG 15 -3.028 -16.016 5.825 127 2HH2 ARG 15 HH22 ARG 15 -4.223 -15.423 6.939 128 H ARG 16 HN ARG 16 4.140 -10.044 2.713 129 HA ARG 16 HA ARG 16 2.959 -7.366 2.556 130 1HB ARG 16 HB2 ARG 16 4.448 -6.403 4.063 131 2HB ARG 16 HB1 ARG 16 4.016 -7.919 4.823 132 1HG ARG 16 HG2 ARG 16 6.103 -8.908 4.153 133 2HG ARG 16 HG1 ARG 16 6.538 -7.443 3.260 134 1HD ARG 16 HD2 ARG 16 6.382 -6.171 5.386 135 2HD ARG 16 HD1 ARG 16 6.100 -7.692 6.232 136 HE ARG 16 HE ARG 16 8.560 -7.377 4.655 137 1HH1 ARG 16 HH11 ARG 16 6.958 -7.691 7.759 138 2HH1 ARG 16 HH12 ARG 16 8.435 -7.973 8.636 139 1HH2 ARG 16 HH21 ARG 16 10.488 -7.704 5.783 140 2HH2 ARG 16 HH22 ARG 16 10.462 -7.968 7.505 141 H PHE 17 HN PHE 17 4.313 -5.779 1.517 142 HA PHE 17 HA PHE 17 6.197 -6.953 -0.422 143 1HB PHE 17 HB2 PHE 17 4.764 -4.294 -0.645 144 2HB PHE 17 HB1 PHE 17 5.743 -5.073 -1.879 145 HD1 PHE 17 HD1 PHE 17 2.517 -4.327 -0.963 146 HD2 PHE 17 HD2 PHE 17 4.852 -7.573 -2.423 147 HE1 PHE 17 HE1 PHE 17 0.488 -5.368 -1.897 148 HE2 PHE 17 HE2 PHE 17 2.832 -8.615 -3.361 149 HZ PHE 17 HZ PHE 17 0.645 -7.510 -3.100 150 H GLU 18 HN GLU 18 8.217 -6.004 -0.652 151 HA GLU 18 HA GLU 18 8.820 -3.675 1.032 152 1HB GLU 18 HB2 GLU 18 11.154 -5.270 0.949 153 2HB GLU 18 HB1 GLU 18 10.197 -4.822 2.356 154 1HG GLU 18 HG2 GLU 18 8.752 -6.811 1.878 155 2HG GLU 18 HG1 GLU 18 9.937 -7.281 0.658 156 H THR 19 HN THR 19 10.269 -2.259 0.213 157 HA THR 19 HA THR 19 10.687 -2.219 -2.587 158 HB THR 19 HB THR 19 10.564 -0.160 -1.290 159 HG1 THR 19 HG1 THR 19 12.088 -0.309 -3.197 160 1HG2 THR 19 HG21 THR 19 13.082 -1.128 0.046 161 2HG2 THR 19 HG22 THR 19 11.492 -0.947 0.787 162 3HG2 THR 19 HG23 THR 19 12.378 0.477 0.245 163 H GLU 20 HN GLU 20 13.018 -1.876 -3.480 164 HA GLU 20 HA GLU 20 14.567 -4.209 -3.139 165 1HB GLU 20 HB2 GLU 20 16.219 -3.053 -4.553 166 2HB GLU 20 HB1 GLU 20 14.586 -2.889 -5.180 167 1HG GLU 20 HG2 GLU 20 15.431 -0.724 -3.409 168 2HG GLU 20 HG1 GLU 20 16.324 -0.851 -4.925 169 H ASP 21 HN ASP 21 14.157 -1.698 -1.152 170 HA ASP 21 HA ASP 21 16.872 -1.651 -0.077 171 1HB ASP 21 HB2 ASP 21 16.278 0.526 -0.282 172 2HB ASP 21 HB1 ASP 21 14.566 0.177 -0.194 173 H HIS 22 HN HIS 22 13.697 -2.775 0.512 174 HA HIS 22 HA HIS 22 12.829 -4.255 1.958 175 1HB HIS 22 HB2 HIS 22 15.727 -4.702 2.650 176 2HB HIS 22 HB1 HIS 22 14.413 -5.656 3.326 177 HD1 HIS 22 HD1 HIS 22 13.201 -7.326 1.745 178 HD2 HIS 22 HD2 HIS 22 16.369 -5.264 -0.021 179 HE1 HIS 22 HE1 HIS 22 13.684 -8.526 -0.415 180 HE2 HIS 22 HE2 HIS 22 15.569 -7.249 -1.494 181 H GLU 23 HN GLU 23 14.417 -1.514 3.096 182 HA GLU 23 HA GLU 23 13.632 -1.931 5.862 183 1HB GLU 23 HB2 GLU 23 14.695 0.561 4.518 184 2HB GLU 23 HB1 GLU 23 14.542 0.299 6.250 185 1HG GLU 23 HG2 GLU 23 16.109 -1.731 5.802 186 2HG GLU 23 HG1 GLU 23 16.504 -0.855 4.314 187 H ALA 24 HN ALA 24 12.578 -0.319 2.976 188 HA ALA 24 HA ALA 24 10.170 0.678 4.288 189 1HB ALA 24 HB1 ALA 24 11.285 2.077 2.587 190 2HB ALA 24 HB2 ALA 24 9.628 1.670 2.142 191 3HB ALA 24 HB3 ALA 24 10.979 0.824 1.384 192 H PHE 25 HN PHE 25 8.299 -0.431 4.285 193 HA PHE 25 HA PHE 25 7.772 -2.414 2.264 194 1HB PHE 25 HB2 PHE 25 7.397 -4.251 3.891 195 2HB PHE 25 HB1 PHE 25 9.087 -3.789 3.737 196 HD1 PHE 25 HD1 PHE 25 6.171 -3.856 5.921 197 HD2 PHE 25 HD2 PHE 25 10.251 -2.707 5.568 198 HE1 PHE 25 HE1 PHE 25 6.290 -3.552 8.360 199 HE2 PHE 25 HE2 PHE 25 10.382 -2.408 8.006 200 HZ PHE 25 HZ PHE 25 8.431 -2.904 9.411 201 H ILE 26 HN ILE 26 5.667 -3.416 2.512 202 HA ILE 26 HA ILE 26 3.791 -1.841 4.128 203 HB ILE 26 HB ILE 26 4.003 -1.692 1.330 204 1HG1 ILE 26 HG12 ILE 26 3.136 -0.036 2.984 205 2HG1 ILE 26 HG11 ILE 26 2.160 -0.178 1.521 206 1HG2 ILE 26 HG21 ILE 26 2.812 -3.835 1.103 207 2HG2 ILE 26 HG22 ILE 26 1.858 -2.486 0.484 208 3HG2 ILE 26 HG23 ILE 26 1.477 -3.185 2.058 209 1HD1 ILE 26 HD11 ILE 26 0.569 -1.567 2.698 210 2HD1 ILE 26 HD12 ILE 26 0.791 -0.028 3.531 211 3HD1 ILE 26 HD13 ILE 26 1.557 -1.490 4.155 212 H GLU 27 HN GLU 27 2.458 -3.086 5.323 213 HA GLU 27 HA GLU 27 2.418 -5.967 4.701 214 1HB GLU 27 HB2 GLU 27 3.207 -5.307 6.959 215 2HB GLU 27 HB1 GLU 27 1.653 -4.540 7.262 216 1HG GLU 27 HG2 GLU 27 0.554 -6.734 7.015 217 2HG GLU 27 HG1 GLU 27 2.137 -7.478 6.791 218 H TYR 28 HN TYR 28 0.367 -7.105 4.803 219 HA TYR 28 HA TYR 28 -2.028 -5.589 5.255 220 1HB TYR 28 HB2 TYR 28 -3.073 -5.981 3.082 221 2HB TYR 28 HB1 TYR 28 -1.610 -5.025 2.889 222 HD1 TYR 28 HD1 TYR 28 -3.105 -8.361 2.382 223 HD2 TYR 28 HD2 TYR 28 0.229 -5.832 1.597 224 HE1 TYR 28 HE1 TYR 28 -2.288 -9.964 0.708 225 HE2 TYR 28 HE2 TYR 28 1.053 -7.430 -0.085 226 HH TYR 28 HH TYR 28 -0.858 -10.032 -1.232 227 H LYS 29 HN LYS 29 -3.902 -6.897 5.373 228 HA LYS 29 HA LYS 29 -3.437 -9.781 5.311 229 1HB LYS 29 HB2 LYS 29 -4.808 -10.004 7.421 230 2HB LYS 29 HB1 LYS 29 -3.180 -9.378 7.633 231 1HG LYS 29 HG2 LYS 29 -5.635 -7.642 7.515 232 2HG LYS 29 HG1 LYS 29 -4.963 -8.287 9.012 233 1HD LYS 29 HD2 LYS 29 -3.619 -6.413 7.071 234 2HD LYS 29 HD1 LYS 29 -4.197 -6.022 8.687 235 1HE LYS 29 HE2 LYS 29 -2.028 -8.037 8.106 236 2HE LYS 29 HE1 LYS 29 -1.723 -6.350 8.511 237 1HZ LYS 29 HZ1 LYS 29 -3.026 -6.790 10.604 238 2HZ LYS 29 HZ2 LYS 29 -1.515 -7.550 10.493 239 3HZ LYS 29 HZ3 LYS 29 -2.927 -8.445 10.225 240 H MET 30 HN MET 30 -5.018 -10.885 4.404 241 HA MET 30 HA MET 30 -7.194 -9.373 3.243 242 1HB MET 30 HB2 MET 30 -6.543 -12.329 3.019 243 2HB MET 30 HB1 MET 30 -7.638 -11.418 1.995 244 1HG MET 30 HG2 MET 30 -5.821 -10.139 1.091 245 2HG MET 30 HG1 MET 30 -4.687 -10.910 2.201 246 1HE MET 30 HE1 MET 30 -4.669 -14.606 0.908 247 2HE MET 30 HE2 MET 30 -5.750 -13.950 2.137 248 3HE MET 30 HE3 MET 30 -4.053 -13.473 2.111 249 H ARG 31 HN ARG 31 -8.938 -9.047 4.371 250 HA ARG 31 HA ARG 31 -9.688 -10.818 6.567 251 1HB ARG 31 HB2 ARG 31 -10.775 -8.142 5.676 252 2HB ARG 31 HB1 ARG 31 -11.300 -9.012 7.107 253 1HG ARG 31 HG2 ARG 31 -9.142 -8.711 8.133 254 2HG ARG 31 HG1 ARG 31 -8.502 -7.990 6.652 255 1HD ARG 31 HD2 ARG 31 -10.088 -6.152 6.844 256 2HD ARG 31 HD1 ARG 31 -10.770 -6.875 8.289 257 HE ARG 31 HE ARG 31 -7.974 -5.972 8.197 258 1HH1 ARG 31 HH11 ARG 31 -11.094 -6.096 9.758 259 2HH1 ARG 31 HH12 ARG 31 -10.651 -5.008 11.040 260 1HH2 ARG 31 HH21 ARG 31 -7.368 -4.534 9.863 261 2HH2 ARG 31 HH22 ARG 31 -8.522 -4.120 11.108 262 H ASN 32 HN ASN 32 -11.903 -11.521 6.765 263 HA ASN 32 HA ASN 32 -13.810 -12.529 6.037 264 1HB ASN 32 HB2 ASN 32 -14.213 -10.041 5.432 265 2HB ASN 32 HB1 ASN 32 -13.877 -10.534 3.778 266 1HD2 ASN 32 HD21 ASN 32 -16.327 -9.493 4.995 267 2HD2 ASN 32 HD22 ASN 32 -17.555 -10.677 4.671 268 H ASN 33 HN ASN 33 -11.882 -14.071 5.358 269 HA ASN 33 HA ASN 33 -11.211 -15.752 3.993 270 1HB ASN 33 HB2 ASN 33 -13.638 -16.078 3.635 271 2HB ASN 33 HB1 ASN 33 -13.576 -14.970 2.270 272 1HD2 ASN 33 HD21 ASN 33 -12.807 -15.687 0.322 273 2HD2 ASN 33 HD22 ASN 33 -12.390 -17.332 0.008 274 H GLY 34 HN GLY 34 -11.070 -12.592 3.132 275 1HA GLY 34 HA2 GLY 34 -9.175 -11.796 1.898 276 2HA GLY 34 HA1 GLY 34 -9.318 -13.190 0.839 277 H LYS 35 HN LYS 35 -12.073 -11.327 1.879 278 HA LYS 35 HA LYS 35 -12.503 -10.415 -0.864 279 1HB LYS 35 HB2 LYS 35 -14.269 -10.248 1.589 280 2HB LYS 35 HB1 LYS 35 -14.720 -9.668 -0.009 281 1HG LYS 35 HG2 LYS 35 -14.081 -12.521 0.706 282 2HG LYS 35 HG1 LYS 35 -15.697 -11.848 0.476 283 1HD LYS 35 HD2 LYS 35 -15.138 -11.309 -1.846 284 2HD LYS 35 HD1 LYS 35 -13.524 -11.987 -1.615 285 1HE LYS 35 HE2 LYS 35 -14.492 -14.171 -1.153 286 2HE LYS 35 HE1 LYS 35 -16.115 -13.503 -1.327 287 1HZ LYS 35 HZ1 LYS 35 -15.462 -14.626 -3.335 288 2HZ LYS 35 HZ2 LYS 35 -14.056 -13.692 -3.460 289 3HZ LYS 35 HZ3 LYS 35 -15.573 -12.961 -3.642 290 H VAL 36 HN VAL 36 -11.447 -9.326 2.199 291 HA VAL 36 HA VAL 36 -11.250 -6.575 1.179 292 HB VAL 36 HB VAL 36 -11.992 -7.483 3.966 293 1HG1 VAL 36 HG11 VAL 36 -11.240 -4.692 3.071 294 2HG1 VAL 36 HG12 VAL 36 -10.279 -5.724 4.129 295 3HG1 VAL 36 HG13 VAL 36 -11.856 -5.142 4.662 296 1HG2 VAL 36 HG21 VAL 36 -13.827 -7.268 2.365 297 2HG2 VAL 36 HG22 VAL 36 -13.332 -5.610 2.013 298 3HG2 VAL 36 HG23 VAL 36 -13.926 -6.032 3.619 299 H MET 37 HN MET 37 -9.195 -5.936 1.005 300 HA MET 37 HA MET 37 -7.177 -7.360 2.581 301 1HB MET 37 HB2 MET 37 -7.076 -5.758 0.046 302 2HB MET 37 HB1 MET 37 -5.616 -5.970 1.010 303 1HG MET 37 HG2 MET 37 -5.809 -8.379 0.811 304 2HG MET 37 HG1 MET 37 -7.311 -8.202 -0.090 305 1HE MET 37 HE1 MET 37 -3.307 -6.603 -1.737 306 2HE MET 37 HE2 MET 37 -3.447 -7.320 -0.133 307 3HE MET 37 HE3 MET 37 -4.263 -5.798 -0.493 308 H ASP 38 HN ASP 38 -6.554 -6.514 4.367 309 HA ASP 38 HA ASP 38 -6.976 -3.670 4.869 310 1HB ASP 38 HB2 ASP 38 -7.749 -5.367 6.511 311 2HB ASP 38 HB1 ASP 38 -6.088 -5.914 6.700 312 H LEU 39 HN LEU 39 -5.431 -2.438 4.159 313 HA LEU 39 HA LEU 39 -2.710 -3.395 3.912 314 1HB LEU 39 HB2 LEU 39 -4.171 -0.928 3.028 315 2HB LEU 39 HB1 LEU 39 -2.418 -0.954 3.032 316 HG LEU 39 HG LEU 39 -2.335 -2.639 1.385 317 1HD1 LEU 39 HD11 LEU 39 -5.321 -2.912 1.607 318 2HD1 LEU 39 HD12 LEU 39 -4.131 -4.077 2.186 319 3HD1 LEU 39 HD13 LEU 39 -4.279 -3.753 0.459 320 1HD2 LEU 39 HD21 LEU 39 -2.780 -0.386 0.578 321 2HD2 LEU 39 HD22 LEU 39 -4.514 -0.695 0.662 322 3HD2 LEU 39 HD23 LEU 39 -3.511 -1.598 -0.474 323 H VAL 40 HN VAL 40 -1.381 -3.270 5.546 324 HA VAL 40 HA VAL 40 -1.954 -1.270 7.623 325 HB VAL 40 HB VAL 40 -1.119 -4.156 7.927 326 1HG1 VAL 40 HG11 VAL 40 0.187 -2.856 9.495 327 2HG1 VAL 40 HG12 VAL 40 -1.077 -3.736 10.353 328 3HG1 VAL 40 HG13 VAL 40 -1.259 -2.010 10.040 329 1HG2 VAL 40 HG21 VAL 40 -3.505 -2.604 8.919 330 2HG2 VAL 40 HG22 VAL 40 -3.163 -4.298 9.274 331 3HG2 VAL 40 HG23 VAL 40 -3.498 -3.794 7.616 332 H HIS 41 HN HIS 41 -0.398 0.161 7.680 333 HA HIS 41 HA HIS 41 1.576 1.012 8.332 334 1HB HIS 41 HB2 HIS 41 1.749 -1.255 9.593 335 2HB HIS 41 HB1 HIS 41 2.905 -1.670 8.333 336 HD1 HIS 41 HD1 HIS 41 3.884 -1.516 11.192 337 HD2 HIS 41 HD2 HIS 41 3.952 1.717 8.576 338 HE1 HIS 41 HE1 HIS 41 5.563 0.089 12.143 339 HE2 HIS 41 HE2 HIS 41 5.356 2.148 10.707 340 H THR 42 HN THR 42 2.034 2.149 6.592 341 HA THR 42 HA THR 42 3.737 0.995 4.531 342 HB THR 42 HB THR 42 2.106 2.578 3.714 343 HG1 THR 42 HG1 THR 42 3.608 3.298 2.442 344 1HG2 THR 42 HG21 THR 42 2.071 4.931 4.487 345 2HG2 THR 42 HG22 THR 42 3.231 4.504 5.748 346 3HG2 THR 42 HG23 THR 42 1.617 3.790 5.753 347 H TYR 43 HN TYR 43 5.894 0.994 4.780 348 HA TYR 43 HA TYR 43 7.046 2.978 6.621 349 1HB TYR 43 HB2 TYR 43 7.199 0.132 6.749 350 2HB TYR 43 HB1 TYR 43 8.804 0.747 6.372 351 HD1 TYR 43 HD1 TYR 43 7.985 3.451 7.976 352 HD2 TYR 43 HD2 TYR 43 8.180 -0.701 8.882 353 HE1 TYR 43 HE1 TYR 43 8.322 3.991 10.339 354 HE2 TYR 43 HE2 TYR 43 8.530 -0.170 11.254 355 HH TYR 43 HH TYR 43 9.348 1.677 12.624 356 H VAL 44 HN VAL 44 8.997 3.898 6.071 357 HA VAL 44 HA VAL 44 10.544 3.011 3.853 358 HB VAL 44 HB VAL 44 8.741 4.159 2.613 359 1HG1 VAL 44 HG11 VAL 44 9.627 6.631 4.084 360 2HG1 VAL 44 HG12 VAL 44 8.068 5.819 4.237 361 3HG1 VAL 44 HG13 VAL 44 8.517 6.592 2.715 362 1HG2 VAL 44 HG21 VAL 44 11.386 5.595 2.497 363 2HG2 VAL 44 HG22 VAL 44 10.160 5.575 1.229 364 3HG2 VAL 44 HG23 VAL 44 10.985 4.084 1.680 365 HA PRO 45 HA PRO 45 13.329 5.256 6.530 366 1HB PRO 45 HB2 PRO 45 15.627 4.493 5.382 367 2HB PRO 45 HB1 PRO 45 14.645 3.367 6.327 368 1HG PRO 45 HG2 PRO 45 14.853 3.668 3.360 369 2HG PRO 45 HG1 PRO 45 14.776 2.189 4.334 370 1HD PRO 45 HD2 PRO 45 12.628 3.291 3.019 371 2HD PRO 45 HD1 PRO 45 12.495 2.243 4.444 372 H SER 46 HN SER 46 15.558 6.519 5.920 373 HA SER 46 HA SER 46 14.609 8.834 4.582 374 1HB SER 46 HB2 SER 46 17.410 8.188 5.531 375 2HB SER 46 HB1 SER 46 16.795 9.790 5.119 376 HG SER 46 HG SER 46 16.795 9.042 7.445 377 H PHE 47 HN PHE 47 15.992 6.020 3.420 378 HA PHE 47 HA PHE 47 17.532 6.846 1.256 379 1HB PHE 47 HB2 PHE 47 15.713 4.455 1.577 380 2HB PHE 47 HB1 PHE 47 16.773 4.680 0.192 381 HD1 PHE 47 HD1 PHE 47 16.703 4.159 3.846 382 HD2 PHE 47 HD2 PHE 47 19.067 4.176 0.312 383 HE1 PHE 47 HE1 PHE 47 18.534 3.064 5.070 384 HE2 PHE 47 HE2 PHE 47 20.905 3.084 1.527 385 HZ PHE 47 HZ PHE 47 20.636 2.524 3.909 386 H LYS 48 HN LYS 48 14.052 6.778 1.682 387 HA LYS 48 HA LYS 48 13.728 8.008 -0.953 388 1HB LYS 48 HB2 LYS 48 12.311 5.523 0.002 389 2HB LYS 48 HB1 LYS 48 11.696 6.516 -1.313 390 1HG LYS 48 HG2 LYS 48 13.585 6.049 -2.667 391 2HG LYS 48 HG1 LYS 48 14.457 5.320 -1.319 392 1HD LYS 48 HD2 LYS 48 11.867 4.218 -2.390 393 2HD LYS 48 HD1 LYS 48 13.449 3.712 -2.990 394 1HE LYS 48 HE2 LYS 48 12.543 3.532 -0.117 395 2HE LYS 48 HE1 LYS 48 12.542 2.193 -1.263 396 1HZ LYS 48 HZ1 LYS 48 14.943 3.702 -0.384 397 2HZ LYS 48 HZ2 LYS 48 14.938 2.416 -1.485 398 3HZ LYS 48 HZ3 LYS 48 14.509 2.151 0.135 399 H ARG 49 HN ARG 49 13.646 9.586 1.124 400 HA ARG 49 HA ARG 49 11.107 9.805 2.407 401 1HB ARG 49 HB2 ARG 49 13.337 11.810 2.045 402 2HB ARG 49 HB1 ARG 49 11.904 12.102 3.018 403 1HG ARG 49 HG2 ARG 49 13.807 9.831 3.509 404 2HG ARG 49 HG1 ARG 49 13.946 11.410 4.283 405 1HD ARG 49 HD2 ARG 49 11.694 11.130 5.231 406 2HD ARG 49 HD1 ARG 49 11.586 9.538 4.479 407 HE ARG 49 HE ARG 49 13.826 10.012 6.287 408 1HH1 ARG 49 HH11 ARG 49 10.609 8.694 5.881 409 2HH1 ARG 49 HH12 ARG 49 10.790 7.520 7.139 410 1HH2 ARG 49 HH21 ARG 49 14.063 8.479 7.958 411 2HH2 ARG 49 HH22 ARG 49 12.753 7.400 8.337 412 H GLY 50 HN GLY 50 9.346 10.080 1.174 413 1HA GLY 50 HA2 GLY 50 7.801 11.277 -0.053 414 2HA GLY 50 HA1 GLY 50 8.972 12.584 -0.155 415 H LEU 51 HN LEU 51 10.014 9.480 -1.209 416 HA LEU 51 HA LEU 51 10.294 10.448 -3.910 417 1HB LEU 51 HB2 LEU 51 11.245 8.118 -2.364 418 2HB LEU 51 HB1 LEU 51 11.040 7.865 -4.085 419 HG LEU 51 HG LEU 51 13.348 8.463 -3.513 420 1HD1 LEU 51 HD11 LEU 51 12.488 9.057 -5.704 421 2HD1 LEU 51 HD12 LEU 51 13.639 10.265 -5.133 422 3HD1 LEU 51 HD13 LEU 51 11.908 10.599 -5.075 423 1HD2 LEU 51 HD21 LEU 51 12.147 11.049 -2.533 424 2HD2 LEU 51 HD22 LEU 51 13.870 10.745 -2.755 425 3HD2 LEU 51 HD23 LEU 51 12.959 9.828 -1.554 426 H GLY 52 HN GLY 52 7.790 9.008 -2.271 427 1HA GLY 52 HA2 GLY 52 5.724 8.553 -3.425 428 2HA GLY 52 HA1 GLY 52 6.676 7.972 -4.790 429 H LEU 53 HN LEU 53 8.466 6.550 -2.891 430 HA LEU 53 HA LEU 53 7.553 4.020 -3.389 431 1HB LEU 53 HB2 LEU 53 9.872 4.857 -2.720 432 2HB LEU 53 HB1 LEU 53 9.332 4.683 -1.062 433 HG LEU 53 HG LEU 53 10.706 2.774 -2.129 434 1HD1 LEU 53 HD11 LEU 53 9.466 1.075 -0.887 435 2HD1 LEU 53 HD12 LEU 53 8.090 2.173 -0.761 436 3HD1 LEU 53 HD13 LEU 53 9.615 2.573 0.034 437 1HD2 LEU 53 HD21 LEU 53 9.406 1.116 -3.344 438 2HD2 LEU 53 HD22 LEU 53 9.414 2.653 -4.209 439 3HD2 LEU 53 HD23 LEU 53 7.990 2.165 -3.288 440 H ALA 54 HN ALA 54 7.222 5.810 -0.334 441 HA ALA 54 HA ALA 54 6.208 3.783 1.244 442 1HB ALA 54 HB1 ALA 54 5.270 5.529 2.641 443 2HB ALA 54 HB2 ALA 54 5.443 6.691 1.327 444 3HB ALA 54 HB3 ALA 54 6.876 5.986 2.076 445 H SER 55 HN SER 55 4.359 6.182 -0.601 446 HA SER 55 HA SER 55 1.857 4.921 -0.124 447 1HB SER 55 HB2 SER 55 1.284 6.544 -2.152 448 2HB SER 55 HB1 SER 55 1.598 7.177 -0.535 449 HG SER 55 HG SER 55 3.005 7.525 -2.831 450 H HIS 56 HN HIS 56 4.285 4.765 -2.573 451 HA HIS 56 HA HIS 56 3.001 3.421 -4.639 452 1HB HIS 56 HB2 HIS 56 5.493 4.293 -4.174 453 2HB HIS 56 HB1 HIS 56 5.740 2.579 -3.879 454 HD1 HIS 56 HD1 HIS 56 4.169 1.292 -6.150 455 HD2 HIS 56 HD2 HIS 56 6.408 4.765 -6.563 456 HE1 HIS 56 HE1 HIS 56 4.717 1.445 -8.601 457 HE2 HIS 56 HE2 HIS 56 5.918 3.650 -8.861 458 H LEU 57 HN LEU 57 4.514 2.249 -1.708 459 HA LEU 57 HA LEU 57 4.249 -0.514 -2.109 460 1HB LEU 57 HB2 LEU 57 4.222 1.099 0.442 461 2HB LEU 57 HB1 LEU 57 4.318 -0.650 0.392 462 HG LEU 57 HG LEU 57 6.369 1.186 -0.843 463 1HD1 LEU 57 HD11 LEU 57 6.327 1.471 1.570 464 2HD1 LEU 57 HD12 LEU 57 7.769 0.581 1.079 465 3HD1 LEU 57 HD13 LEU 57 6.404 -0.278 1.794 466 1HD2 LEU 57 HD21 LEU 57 6.398 -1.779 -0.276 467 2HD2 LEU 57 HD22 LEU 57 7.736 -0.840 -0.938 468 3HD2 LEU 57 HD23 LEU 57 6.250 -1.032 -1.867 469 H CYS 58 HN CYS 58 2.093 1.782 -0.486 470 HA CYS 58 HA CYS 58 0.018 0.000 0.125 471 1HB CYS 58 HB2 CYS 58 0.124 2.289 1.024 472 2HB CYS 58 HB1 CYS 58 -0.162 2.939 -0.592 473 HG CYS 58 HG CYS 58 -2.655 1.078 -0.325 474 H VAL 59 HN VAL 59 0.691 1.865 -2.794 475 HA VAL 59 HA VAL 59 -1.615 1.136 -4.238 476 HB VAL 59 HB VAL 59 1.119 1.985 -5.196 477 1HG1 VAL 59 HG11 VAL 59 0.052 0.726 -6.985 478 2HG1 VAL 59 HG12 VAL 59 0.054 2.447 -7.369 479 3HG1 VAL 59 HG13 VAL 59 -1.425 1.675 -6.796 480 1HG2 VAL 59 HG21 VAL 59 -0.075 3.662 -3.921 481 2HG2 VAL 59 HG22 VAL 59 -1.500 3.451 -4.941 482 3HG2 VAL 59 HG23 VAL 59 -0.016 4.116 -5.623 483 H ALA 60 HN ALA 60 1.488 -0.473 -3.807 484 HA ALA 60 HA ALA 60 1.231 -2.421 -5.803 485 1HB ALA 60 HB1 ALA 60 3.326 -2.056 -4.602 486 2HB ALA 60 HB2 ALA 60 2.832 -3.745 -4.497 487 3HB ALA 60 HB3 ALA 60 2.592 -2.668 -3.120 488 H ALA 61 HN ALA 61 -0.131 -2.256 -2.534 489 HA ALA 61 HA ALA 61 -1.267 -4.880 -2.692 490 1HB ALA 61 HB1 ALA 61 -2.008 -2.584 -0.889 491 2HB ALA 61 HB2 ALA 61 -0.784 -3.807 -0.547 492 3HB ALA 61 HB3 ALA 61 -2.482 -4.268 -0.682 493 H PHE 62 HN PHE 62 -2.373 -1.598 -3.405 494 HA PHE 62 HA PHE 62 -5.048 -2.143 -3.999 495 1HB PHE 62 HB2 PHE 62 -3.130 -0.105 -5.104 496 2HB PHE 62 HB1 PHE 62 -4.778 -0.225 -5.702 497 HD1 PHE 62 HD1 PHE 62 -6.354 -0.638 -3.317 498 HD2 PHE 62 HD2 PHE 62 -2.954 1.851 -3.911 499 HE1 PHE 62 HE1 PHE 62 -7.144 0.864 -1.533 500 HE2 PHE 62 HE2 PHE 62 -3.738 3.359 -2.126 501 HZ PHE 62 HZ PHE 62 -5.833 2.861 -0.933 502 H GLU 63 HN GLU 63 -2.231 -2.130 -6.146 503 HA GLU 63 HA GLU 63 -3.411 -2.875 -8.532 504 1HB GLU 63 HB2 GLU 63 -0.708 -3.685 -7.432 505 2HB GLU 63 HB1 GLU 63 -1.189 -3.833 -9.117 506 1HG GLU 63 HG2 GLU 63 -1.270 -1.185 -7.733 507 2HG GLU 63 HG1 GLU 63 0.239 -1.823 -8.383 508 H HIS 64 HN HIS 64 -2.451 -4.849 -5.806 509 HA HIS 64 HA HIS 64 -2.751 -7.363 -7.119 510 1HB HIS 64 HB2 HIS 64 -1.284 -6.984 -5.153 511 2HB HIS 64 HB1 HIS 64 -2.711 -6.721 -4.161 512 HD1 HIS 64 HD1 HIS 64 -0.853 -9.426 -6.001 513 HD2 HIS 64 HD2 HIS 64 -3.965 -9.021 -3.268 514 HE1 HIS 64 HE1 HIS 64 -1.320 -11.749 -5.150 515 HE2 HIS 64 HE2 HIS 64 -3.096 -11.455 -3.380 516 H ALA 65 HN ALA 65 -4.736 -5.581 -4.763 517 HA ALA 65 HA ALA 65 -6.776 -7.556 -4.657 518 1HB ALA 65 HB1 ALA 65 -6.939 -4.653 -3.886 519 2HB ALA 65 HB2 ALA 65 -6.365 -5.957 -2.846 520 3HB ALA 65 HB3 ALA 65 -8.042 -5.937 -3.393 521 H SER 66 HN SER 66 -6.585 -4.385 -6.273 522 HA SER 66 HA SER 66 -9.125 -4.323 -7.360 523 1HB SER 66 HB2 SER 66 -7.497 -2.451 -7.414 524 2HB SER 66 HB1 SER 66 -6.598 -3.294 -8.674 525 HG SER 66 HG SER 66 -9.348 -2.785 -9.016 526 H SER 67 HN SER 67 -6.240 -5.933 -8.673 527 HA SER 67 HA SER 67 -7.596 -6.657 -11.096 528 1HB SER 67 HB2 SER 67 -5.522 -8.009 -11.528 529 2HB SER 67 HB1 SER 67 -5.228 -6.295 -11.227 530 HG SER 67 HG SER 67 -4.256 -6.757 -9.393 531 H HIS 68 HN HIS 68 -7.417 -7.980 -7.948 532 HA HIS 68 HA HIS 68 -8.325 -10.604 -8.918 533 1HB HIS 68 HB2 HIS 68 -6.402 -10.329 -7.205 534 2HB HIS 68 HB1 HIS 68 -7.674 -9.949 -6.050 535 HD1 HIS 68 HD1 HIS 68 -9.118 -11.909 -5.195 536 HD2 HIS 68 HD2 HIS 68 -6.344 -13.007 -8.090 537 HE1 HIS 68 HE1 HIS 68 -9.060 -14.419 -5.156 538 HE2 HIS 68 HE2 HIS 68 -7.228 -15.052 -6.773 539 H SER 69 HN SER 69 -9.743 -7.827 -8.393 540 HA SER 69 HA SER 69 -11.848 -7.135 -7.895 541 1HB SER 69 HB2 SER 69 -12.453 -10.101 -7.826 542 2HB SER 69 HB1 SER 69 -13.662 -8.818 -7.867 543 HG SER 69 HG SER 69 -11.697 -8.772 -9.856 544 H ILE 70 HN ILE 70 -9.994 -7.344 -5.794 545 HA ILE 70 HA ILE 70 -11.602 -8.220 -3.493 546 HB ILE 70 HB ILE 70 -8.667 -7.470 -3.545 547 1HG1 ILE 70 HG12 ILE 70 -9.926 -10.222 -3.562 548 2HG1 ILE 70 HG11 ILE 70 -9.093 -9.472 -4.921 549 1HG2 ILE 70 HG21 ILE 70 -10.317 -8.887 -1.458 550 2HG2 ILE 70 HG22 ILE 70 -9.696 -7.240 -1.354 551 3HG2 ILE 70 HG23 ILE 70 -8.578 -8.605 -1.378 552 1HD1 ILE 70 HD11 ILE 70 -7.869 -10.233 -2.277 553 2HD1 ILE 70 HD12 ILE 70 -7.022 -9.430 -3.598 554 3HD1 ILE 70 HD13 ILE 70 -7.649 -11.063 -3.817 555 H SER 71 HN SER 71 -12.016 -6.788 -1.775 556 HA SER 71 HA SER 71 -11.750 -3.950 -2.409 557 1HB SER 71 HB2 SER 71 -13.179 -5.342 -0.123 558 2HB SER 71 HB1 SER 71 -13.241 -3.612 -0.468 559 HG SER 71 HG SER 71 -13.883 -5.325 -2.557 560 H ILE 72 HN ILE 72 -11.107 -2.528 -0.427 561 HA ILE 72 HA ILE 72 -8.913 -3.795 1.061 562 HB ILE 72 HB ILE 72 -8.595 -1.533 -0.929 563 1HG1 ILE 72 HG12 ILE 72 -7.384 -4.269 -0.620 564 2HG1 ILE 72 HG11 ILE 72 -8.278 -3.613 -1.989 565 1HG2 ILE 72 HG21 ILE 72 -6.622 -2.347 1.197 566 2HG2 ILE 72 HG22 ILE 72 -7.451 -0.796 1.057 567 3HG2 ILE 72 HG23 ILE 72 -6.270 -1.280 -0.161 568 1HD1 ILE 72 HD11 ILE 72 -5.916 -3.789 -2.495 569 2HD1 ILE 72 HD12 ILE 72 -5.527 -2.761 -1.115 570 3HD1 ILE 72 HD13 ILE 72 -6.430 -2.103 -2.481 571 H ILE 73 HN ILE 73 -8.199 -2.610 2.839 572 HA ILE 73 HA ILE 73 -9.486 -0.044 3.500 573 HB ILE 73 HB ILE 73 -9.353 -2.511 5.259 574 1HG1 ILE 73 HG12 ILE 73 -11.363 -2.236 3.875 575 2HG1 ILE 73 HG11 ILE 73 -11.734 -2.106 5.594 576 1HG2 ILE 73 HG21 ILE 73 -8.441 -0.669 6.554 577 2HG2 ILE 73 HG22 ILE 73 -10.039 -1.118 7.157 578 3HG2 ILE 73 HG23 ILE 73 -9.846 0.325 6.160 579 1HD1 ILE 73 HD11 ILE 73 -12.956 -0.460 4.293 580 2HD1 ILE 73 HD12 ILE 73 -11.438 0.192 3.673 581 3HD1 ILE 73 HD13 ILE 73 -11.818 0.324 5.391 582 HA PRO 74 HA PRO 74 -5.090 0.320 4.263 583 1HB PRO 74 HB2 PRO 74 -5.039 3.036 3.751 584 2HB PRO 74 HB1 PRO 74 -4.958 1.767 2.529 585 1HG PRO 74 HG2 PRO 74 -7.074 3.649 2.992 586 2HG PRO 74 HG1 PRO 74 -6.991 2.381 1.759 587 1HD PRO 74 HD2 PRO 74 -8.378 2.383 4.371 588 2HD PRO 74 HD1 PRO 74 -8.713 1.424 2.914 589 H SER 75 HN SER 75 -4.805 -0.003 6.479 590 HA SER 75 HA SER 75 -5.163 2.088 8.418 591 1HB SER 75 HB2 SER 75 -3.082 -0.122 8.448 592 2HB SER 75 HB1 SER 75 -3.700 0.776 9.834 593 HG SER 75 HG SER 75 -5.813 -0.234 8.723 594 H CYS 76 HN CYS 76 -3.077 1.421 5.892 595 HA CYS 76 HA CYS 76 -0.845 3.032 6.361 596 1HB CYS 76 HB2 CYS 76 -2.118 2.479 3.689 597 2HB CYS 76 HB1 CYS 76 -0.434 2.863 4.021 598 HG CYS 76 HG CYS 76 -2.056 0.014 4.960 599 H SER 77 HN SER 77 -3.510 4.255 6.984 600 HA SER 77 HA SER 77 -4.631 5.876 5.132 601 1HB SER 77 HB2 SER 77 -4.403 6.675 8.016 602 2HB SER 77 HB1 SER 77 -5.776 6.858 6.921 603 HG SER 77 HG SER 77 -5.899 4.523 6.897 604 H TYR 78 HN TYR 78 -1.530 6.565 6.625 605 HA TYR 78 HA TYR 78 -1.360 9.303 6.047 606 1HB TYR 78 HB2 TYR 78 0.650 8.714 6.946 607 2HB TYR 78 HB1 TYR 78 0.543 7.068 6.337 608 HD1 TYR 78 HD1 TYR 78 1.500 10.537 5.392 609 HD2 TYR 78 HD2 TYR 78 1.719 6.408 4.408 610 HE1 TYR 78 HE1 TYR 78 3.177 11.039 3.662 611 HE2 TYR 78 HE2 TYR 78 3.391 6.887 2.677 612 HH TYR 78 HH TYR 78 4.044 8.881 1.260 613 H VAL 79 HN VAL 79 -0.798 6.479 3.993 614 HA VAL 79 HA VAL 79 -0.317 7.831 1.570 615 HB VAL 79 HB VAL 79 -1.465 5.064 2.011 616 1HG1 VAL 79 HG11 VAL 79 -0.216 6.294 -0.443 617 2HG1 VAL 79 HG12 VAL 79 -1.914 5.867 -0.239 618 3HG1 VAL 79 HG13 VAL 79 -0.685 4.603 -0.272 619 1HG2 VAL 79 HG21 VAL 79 0.828 4.284 1.651 620 2HG2 VAL 79 HG22 VAL 79 0.715 5.338 3.061 621 3HG2 VAL 79 HG23 VAL 79 1.377 5.956 1.548 622 H SER 80 HN SER 80 -3.251 6.426 2.973 623 HA SER 80 HA SER 80 -4.827 6.748 0.674 624 1HB SER 80 HB2 SER 80 -6.760 6.377 2.163 625 2HB SER 80 HB1 SER 80 -5.466 5.221 2.467 626 HG SER 80 HG SER 80 -5.945 7.582 3.961 627 H ASP 81 HN ASP 81 -4.147 8.903 3.338 628 HA ASP 81 HA ASP 81 -6.264 10.726 2.831 629 1HB ASP 81 HB2 ASP 81 -5.275 10.694 5.025 630 2HB ASP 81 HB1 ASP 81 -3.672 11.012 4.369 631 H THR 82 HN THR 82 -2.766 10.867 2.092 632 HA THR 82 HA THR 82 -3.207 13.285 0.558 633 HB THR 82 HB THR 82 -1.230 13.238 1.935 634 HG1 THR 82 HG1 THR 82 -0.604 14.446 0.311 635 1HG2 THR 82 HG21 THR 82 -0.803 10.834 1.987 636 2HG2 THR 82 HG22 THR 82 0.643 11.718 1.495 637 3HG2 THR 82 HG23 THR 82 -0.327 10.872 0.289 638 H PHE 83 HN PHE 83 -2.175 9.947 -0.095 639 HA PHE 83 HA PHE 83 -1.464 10.532 -2.796 640 1HB PHE 83 HB2 PHE 83 -0.595 8.683 -1.172 641 2HB PHE 83 HB1 PHE 83 -1.933 7.753 -1.830 642 HD1 PHE 83 HD1 PHE 83 -1.140 6.202 -3.338 643 HD2 PHE 83 HD2 PHE 83 0.488 10.134 -3.360 644 HE1 PHE 83 HE1 PHE 83 0.220 5.634 -5.312 645 HE2 PHE 83 HE2 PHE 83 1.847 9.570 -5.331 646 HZ PHE 83 HZ PHE 83 1.713 7.316 -6.309 647 H LEU 84 HN LEU 84 -4.287 9.031 -1.264 648 HA LEU 84 HA LEU 84 -5.327 7.927 -3.637 649 1HB LEU 84 HB2 LEU 84 -6.503 8.629 -0.994 650 2HB LEU 84 HB1 LEU 84 -7.568 8.165 -2.310 651 HG LEU 84 HG LEU 84 -5.243 6.473 -1.395 652 1HD1 LEU 84 HD11 LEU 84 -6.799 6.725 0.450 653 2HD1 LEU 84 HD12 LEU 84 -6.886 5.096 -0.223 654 3HD1 LEU 84 HD13 LEU 84 -8.139 6.278 -0.604 655 1HD2 LEU 84 HD21 LEU 84 -6.387 4.711 -2.609 656 2HD2 LEU 84 HD22 LEU 84 -6.064 6.079 -3.675 657 3HD2 LEU 84 HD23 LEU 84 -7.688 5.824 -3.036 658 HA PRO 85 HA PRO 85 -7.706 12.178 -4.188 659 1HB PRO 85 HB2 PRO 85 -5.691 13.872 -2.806 660 2HB PRO 85 HB1 PRO 85 -7.446 14.065 -2.903 661 1HG PRO 85 HG2 PRO 85 -6.309 13.207 -0.664 662 2HG PRO 85 HG1 PRO 85 -7.839 12.507 -1.228 663 1HD PRO 85 HD2 PRO 85 -5.062 11.383 -1.400 664 2HD PRO 85 HD1 PRO 85 -6.599 10.564 -1.039 665 H ARG 86 HN ARG 86 -4.243 11.708 -3.948 666 HA ARG 86 HA ARG 86 -3.524 13.468 -6.078 667 1HB ARG 86 HB2 ARG 86 -2.031 12.685 -4.176 668 2HB ARG 86 HB1 ARG 86 -1.888 11.154 -5.029 669 1HG ARG 86 HG2 ARG 86 -0.926 12.346 -6.954 670 2HG ARG 86 HG1 ARG 86 -1.024 13.858 -6.046 671 1HD ARG 86 HD2 ARG 86 0.650 11.430 -5.429 672 2HD ARG 86 HD1 ARG 86 1.208 13.051 -5.838 673 HE ARG 86 HE ARG 86 -0.334 13.278 -3.529 674 1HH1 ARG 86 HH11 ARG 86 2.714 11.849 -4.533 675 2HH1 ARG 86 HH12 ARG 86 3.387 11.849 -2.932 676 1HH2 ARG 86 HH21 ARG 86 0.549 13.238 -1.406 677 2HH2 ARG 86 HH22 ARG 86 2.159 12.621 -1.159 678 H ASN 87 HN ASN 87 -4.316 10.044 -5.857 679 HA ASN 87 HA ASN 87 -4.750 10.040 -8.720 680 1HB ASN 87 HB2 ASN 87 -3.536 7.998 -9.208 681 2HB ASN 87 HB1 ASN 87 -2.433 9.199 -8.565 682 1HD2 ASN 87 HD21 ASN 87 -3.047 8.811 -5.797 683 2HD2 ASN 87 HD22 ASN 87 -2.443 7.254 -5.358 684 HA PRO 88 HA PRO 88 -8.049 7.949 -6.426 685 1HB PRO 88 HB2 PRO 88 -9.958 9.298 -8.055 686 2HB PRO 88 HB1 PRO 88 -9.545 9.631 -6.375 687 1HG PRO 88 HG2 PRO 88 -9.032 11.309 -8.525 688 2HG PRO 88 HG1 PRO 88 -8.250 11.402 -6.939 689 1HD PRO 88 HD2 PRO 88 -7.249 10.228 -9.486 690 2HD PRO 88 HD1 PRO 88 -6.360 11.061 -8.193 691 H SER 89 HN SER 89 -7.771 5.895 -7.257 692 HA SER 89 HA SER 89 -9.637 5.232 -9.384 693 1HB SER 89 HB2 SER 89 -7.461 5.623 -10.554 694 2HB SER 89 HB1 SER 89 -6.731 4.368 -9.554 695 HG SER 89 HG SER 89 -8.432 2.959 -10.447 696 H TRP 90 HN TRP 90 -8.970 4.823 -6.402 697 HA TRP 90 HA TRP 90 -9.029 1.878 -6.421 698 1HB TRP 90 HB2 TRP 90 -7.856 3.500 -4.175 699 2HB TRP 90 HB1 TRP 90 -7.625 1.791 -4.530 700 HD1 TRP 90 HD1 TRP 90 -5.956 5.036 -4.919 701 HE1 TRP 90 HE1 TRP 90 -3.981 4.880 -6.551 702 HE3 TRP 90 HE3 TRP 90 -6.994 0.477 -7.005 703 HZ2 TRP 90 HZ2 TRP 90 -2.988 3.059 -8.470 704 HZ3 TRP 90 HZ3 TRP 90 -5.478 -0.394 -8.735 705 HH2 TRP 90 HH2 TRP 90 -3.519 0.872 -9.452 706 H LYS 91 HN LYS 91 -10.990 4.342 -6.048 707 HA LYS 91 HA LYS 91 -12.099 4.089 -3.483 708 1HB LYS 91 HB2 LYS 91 -12.540 5.937 -5.194 709 2HB LYS 91 HB1 LYS 91 -13.718 4.842 -5.907 710 1HG LYS 91 HG2 LYS 91 -14.830 4.705 -3.679 711 2HG LYS 91 HG1 LYS 91 -13.730 5.962 -3.115 712 1HD LYS 91 HD2 LYS 91 -14.590 7.371 -5.043 713 2HD LYS 91 HD1 LYS 91 -15.857 6.157 -5.231 714 1HE LYS 91 HE2 LYS 91 -15.309 7.888 -2.824 715 2HE LYS 91 HE1 LYS 91 -16.726 7.924 -3.871 716 1HZ LYS 91 HZ1 LYS 91 -15.947 5.708 -2.051 717 2HZ LYS 91 HZ2 LYS 91 -17.275 5.678 -3.105 718 3HZ LYS 91 HZ3 LYS 91 -17.232 6.786 -1.827 719 HA PRO 92 HA PRO 92 -15.168 0.829 -5.670 720 1HB PRO 92 HB2 PRO 92 -13.007 -0.443 -7.274 721 2HB PRO 92 HB1 PRO 92 -14.732 -0.294 -7.628 722 1HG PRO 92 HG2 PRO 92 -12.971 1.263 -8.864 723 2HG PRO 92 HG1 PRO 92 -14.534 1.910 -8.329 724 1HD PRO 92 HD2 PRO 92 -11.825 2.266 -7.131 725 2HD PRO 92 HD1 PRO 92 -13.171 3.417 -7.249 726 H LEU 93 HN LEU 93 -11.930 0.641 -4.526 727 HA LEU 93 HA LEU 93 -12.299 -2.093 -3.557 728 1HB LEU 93 HB2 LEU 93 -9.857 -0.374 -3.202 729 2HB LEU 93 HB1 LEU 93 -9.968 -2.125 -3.156 730 HG LEU 93 HG LEU 93 -10.390 -0.455 -5.628 731 1HD1 LEU 93 HD11 LEU 93 -8.081 -0.303 -4.822 732 2HD1 LEU 93 HD12 LEU 93 -8.184 -1.224 -6.323 733 3HD1 LEU 93 HD13 LEU 93 -7.977 -2.063 -4.784 734 1HD2 LEU 93 HD21 LEU 93 -11.556 -2.566 -5.731 735 2HD2 LEU 93 HD22 LEU 93 -10.107 -3.430 -5.216 736 3HD2 LEU 93 HD23 LEU 93 -10.142 -2.624 -6.784 737 H ILE 94 HN ILE 94 -11.930 1.218 -2.450 738 HA ILE 94 HA ILE 94 -12.040 0.271 0.340 739 HB ILE 94 HB ILE 94 -10.496 2.002 0.990 740 1HG1 ILE 94 HG12 ILE 94 -10.262 2.779 -1.918 741 2HG1 ILE 94 HG11 ILE 94 -11.280 3.642 -0.766 742 1HG2 ILE 94 HG21 ILE 94 -9.482 0.506 -1.420 743 2HG2 ILE 94 HG22 ILE 94 -9.473 -0.059 0.251 744 3HG2 ILE 94 HG23 ILE 94 -8.469 1.311 -0.222 745 1HD1 ILE 94 HD11 ILE 94 -9.104 4.704 -1.103 746 2HD1 ILE 94 HD12 ILE 94 -8.318 3.245 -0.494 747 3HD1 ILE 94 HD13 ILE 94 -9.361 4.195 0.565 748 H HIS 95 HN HIS 95 -11.951 2.807 1.481 749 HA HIS 95 HA HIS 95 -14.582 3.808 1.366 750 1HB HIS 95 HB2 HIS 95 -12.003 4.993 2.416 751 2HB HIS 95 HB1 HIS 95 -13.582 5.737 2.663 752 HD1 HIS 95 HD1 HIS 95 -11.999 5.024 5.106 753 HD2 HIS 95 HD2 HIS 95 -14.617 2.353 3.281 754 HE1 HIS 95 HE1 HIS 95 -12.613 3.359 6.884 755 HE2 HIS 95 HE2 HIS 95 -14.317 1.845 5.806 756 H SER 96 HN SER 96 -11.775 5.855 0.758 757 HA SER 96 HA SER 96 -12.025 6.219 -2.000 758 1HB SER 96 HB2 SER 96 -14.168 7.369 -1.322 759 2HB SER 96 HB1 SER 96 -13.194 8.520 -0.405 760 HG SER 96 HG SER 96 -13.493 9.456 -2.362 761 H GLU 97 HN GLU 97 -11.532 8.147 0.904 762 HA GLU 97 HA GLU 97 -8.686 8.375 0.265 763 1HB GLU 97 HB2 GLU 97 -9.805 10.501 -0.156 764 2HB GLU 97 HB1 GLU 97 -10.554 10.481 1.428 765 1HG GLU 97 HG2 GLU 97 -7.967 10.381 2.141 766 2HG GLU 97 HG1 GLU 97 -7.825 11.233 0.602 767 H VAL 98 HN VAL 98 -8.361 9.696 2.983 768 HA VAL 98 HA VAL 98 -8.003 7.307 4.450 769 HB VAL 98 HB VAL 98 -6.551 9.207 4.860 770 1HG1 VAL 98 HG11 VAL 98 -8.119 11.025 4.495 771 2HG1 VAL 98 HG12 VAL 98 -7.333 11.191 6.064 772 3HG1 VAL 98 HG13 VAL 98 -8.989 10.592 5.964 773 1HG2 VAL 98 HG21 VAL 98 -6.609 9.241 7.312 774 2HG2 VAL 98 HG22 VAL 98 -6.824 7.616 6.665 775 3HG2 VAL 98 HG23 VAL 98 -8.216 8.512 7.273 776 H PHE 99 HN PHE 99 -10.530 9.785 4.503 777 HA PHE 99 HA PHE 99 -12.111 8.075 6.241 778 1HB PHE 99 HB2 PHE 99 -10.673 9.565 7.694 779 2HB PHE 99 HB1 PHE 99 -11.561 10.936 7.040 780 HD1 PHE 99 HD1 PHE 99 -11.999 7.751 8.903 781 HD2 PHE 99 HD2 PHE 99 -13.576 11.595 7.981 782 HE1 PHE 99 HE1 PHE 99 -13.732 7.451 10.621 783 HE2 PHE 99 HE2 PHE 99 -15.313 11.299 9.699 784 HZ PHE 99 HZ PHE 99 -15.373 9.203 11.033 785 H LYS 100 HN LYS 100 -11.861 10.912 4.180 786 HA LYS 100 HA LYS 100 -14.670 11.479 4.396 787 1HB LYS 100 HB2 LYS 100 -14.299 13.257 2.791 788 2HB LYS 100 HB1 LYS 100 -13.088 13.314 4.054 789 1HG LYS 100 HG2 LYS 100 -11.928 13.801 2.094 790 2HG LYS 100 HG1 LYS 100 -11.552 12.107 2.407 791 1HD LYS 100 HD2 LYS 100 -12.686 11.379 0.582 792 2HD LYS 100 HD1 LYS 100 -13.916 12.633 0.711 793 1HE LYS 100 HE2 LYS 100 -12.596 12.896 -1.300 794 2HE LYS 100 HE1 LYS 100 -12.365 14.266 -0.222 795 1HZ LYS 100 HZ1 LYS 100 -10.286 13.612 -1.163 796 2HZ LYS 100 HZ2 LYS 100 -10.503 12.002 -0.688 797 3HZ LYS 100 HZ3 LYS 100 -10.258 13.206 0.486 798 H SER 101 HN SER 101 -16.158 11.458 2.624 799 HA SER 101 HA SER 101 -17.248 10.517 0.875 800 1HB SER 101 HB2 SER 101 -15.213 11.230 -0.404 801 2HB SER 101 HB1 SER 101 -14.508 9.644 -0.092 802 HG SER 101 HG SER 101 -17.063 9.679 -1.209 803 H SER 102 HN SER 102 -16.639 9.109 3.358 804 HA SER 102 HA SER 102 -16.827 6.326 2.406 805 1HB SER 102 HB2 SER 102 -14.747 6.794 3.676 806 2HB SER 102 HB1 SER 102 -15.721 7.301 5.054 807 HG SER 102 HG SER 102 -16.148 5.275 5.516 808 H ILE 103 HN ILE 103 -18.473 5.099 3.156 809 HA ILE 103 HA ILE 103 -20.649 6.430 4.512 810 HB ILE 103 HB ILE 103 -20.428 3.546 3.619 811 1HG1 ILE 103 HG12 ILE 103 -21.741 5.893 2.225 812 2HG1 ILE 103 HG11 ILE 103 -20.211 5.164 1.749 813 1HG2 ILE 103 HG21 ILE 103 -22.872 3.541 3.774 814 2HG2 ILE 103 HG22 ILE 103 -22.834 5.195 4.383 815 3HG2 ILE 103 HG23 ILE 103 -22.125 3.889 5.334 816 1HD1 ILE 103 HD11 ILE 103 -21.349 3.073 1.253 817 2HD1 ILE 103 HD12 ILE 103 -22.048 4.411 0.342 818 3HD1 ILE 103 HD13 ILE 103 -22.884 3.779 1.761 Start of MODEL 4 1 1H MET 1 HT1 MET 1 13.397 8.241 -14.940 2 2H MET 1 HT2 MET 1 14.649 7.289 -14.300 3 3H MET 1 HT3 MET 1 14.615 7.639 -15.953 4 HA MET 1 HA MET 1 16.260 8.938 -14.706 5 1HB MET 1 HB2 MET 1 15.398 9.736 -16.837 6 2HB MET 1 HB1 MET 1 14.005 10.449 -16.038 7 1HG MET 1 HG2 MET 1 15.633 12.138 -16.623 8 2HG MET 1 HG1 MET 1 15.459 12.012 -14.873 9 1HE MET 1 HE1 MET 1 17.833 13.558 -16.177 10 2HE MET 1 HE2 MET 1 19.214 12.971 -15.247 11 3HE MET 1 HE3 MET 1 17.687 13.332 -14.438 12 H ALA 2 HN ALA 2 13.171 10.676 -14.272 13 HA ALA 2 HA ALA 2 14.172 11.745 -11.774 14 1HB ALA 2 HB1 ALA 2 11.519 12.225 -13.126 15 2HB ALA 2 HB2 ALA 2 12.981 13.177 -13.382 16 3HB ALA 2 HB3 ALA 2 12.207 13.159 -11.797 17 H THR 3 HN THR 3 11.711 9.456 -12.814 18 HA THR 3 HA THR 3 11.291 8.778 -9.977 19 HB THR 3 HB THR 3 9.101 8.671 -12.055 20 HG1 THR 3 HG1 THR 3 9.910 10.733 -10.306 21 1HG2 THR 3 HG21 THR 3 8.795 7.150 -10.183 22 2HG2 THR 3 HG22 THR 3 7.648 8.486 -10.064 23 3HG2 THR 3 HG23 THR 3 9.086 8.460 -9.041 24 H GLU 4 HN GLU 4 12.636 7.036 -10.036 25 HA GLU 4 HA GLU 4 12.428 5.041 -12.106 26 1HB GLU 4 HB2 GLU 4 13.983 5.052 -9.511 27 2HB GLU 4 HB1 GLU 4 14.142 3.848 -10.782 28 1HG GLU 4 HG2 GLU 4 14.950 5.551 -12.314 29 2HG GLU 4 HG1 GLU 4 14.744 6.780 -11.065 30 HA PRO 5 HA PRO 5 9.178 2.795 -9.992 31 1HB PRO 5 HB2 PRO 5 9.301 0.595 -11.615 32 2HB PRO 5 HB1 PRO 5 8.430 2.074 -12.034 33 1HG PRO 5 HG2 PRO 5 11.151 1.169 -12.879 34 2HG PRO 5 HG1 PRO 5 9.877 1.942 -13.842 35 1HD PRO 5 HD2 PRO 5 11.995 3.323 -12.908 36 2HD PRO 5 HD1 PRO 5 10.383 4.055 -13.047 37 HA PRO 6 HA PRO 6 12.178 0.557 -7.449 38 1HB PRO 6 HB2 PRO 6 9.812 0.207 -5.728 39 2HB PRO 6 HB1 PRO 6 11.371 0.946 -5.356 40 1HG PRO 6 HG2 PRO 6 9.151 2.420 -5.637 41 2HG PRO 6 HG1 PRO 6 10.736 3.010 -6.167 42 1HD PRO 6 HD2 PRO 6 8.498 1.866 -7.793 43 2HD PRO 6 HD1 PRO 6 9.561 3.248 -8.151 44 H LYS 7 HN LYS 7 12.239 -1.645 -6.530 45 HA LYS 7 HA LYS 7 10.642 -3.444 -8.220 46 1HB LYS 7 HB2 LYS 7 13.294 -4.020 -6.872 47 2HB LYS 7 HB1 LYS 7 12.419 -5.098 -7.940 48 1HG LYS 7 HG2 LYS 7 13.559 -2.440 -8.780 49 2HG LYS 7 HG1 LYS 7 14.373 -3.991 -8.986 50 1HD LYS 7 HD2 LYS 7 13.393 -3.829 -11.034 51 2HD LYS 7 HD1 LYS 7 12.073 -4.607 -10.160 52 1HE LYS 7 HE2 LYS 7 11.147 -2.321 -9.712 53 2HE LYS 7 HE1 LYS 7 12.372 -1.679 -10.805 54 1HZ LYS 7 HZ1 LYS 7 11.443 -3.156 -12.546 55 2HZ LYS 7 HZ2 LYS 7 10.350 -1.979 -12.008 56 3HZ LYS 7 HZ3 LYS 7 10.198 -3.580 -11.475 57 H ILE 8 HN ILE 8 8.887 -3.605 -6.878 58 HA ILE 8 HA ILE 8 9.344 -3.926 -4.054 59 HB ILE 8 HB ILE 8 6.649 -4.042 -5.402 60 1HG1 ILE 8 HG12 ILE 8 7.830 -1.979 -6.137 61 2HG1 ILE 8 HG11 ILE 8 6.466 -1.621 -5.085 62 1HG2 ILE 8 HG21 ILE 8 5.910 -3.166 -3.215 63 2HG2 ILE 8 HG22 ILE 8 7.581 -3.232 -2.648 64 3HG2 ILE 8 HG23 ILE 8 6.733 -4.721 -3.071 65 1HD1 ILE 8 HD11 ILE 8 8.382 -0.230 -4.559 66 2HD1 ILE 8 HD12 ILE 8 9.358 -1.668 -4.260 67 3HD1 ILE 8 HD13 ILE 8 7.989 -1.299 -3.212 68 H VAL 9 HN VAL 9 9.576 -5.773 -3.107 69 HA VAL 9 HA VAL 9 9.028 -8.255 -4.560 70 HB VAL 9 HB VAL 9 10.607 -7.833 -2.017 71 1HG1 VAL 9 HG11 VAL 9 10.511 -10.164 -3.928 72 2HG1 VAL 9 HG12 VAL 9 9.843 -10.120 -2.295 73 3HG1 VAL 9 HG13 VAL 9 11.587 -10.016 -2.536 74 1HG2 VAL 9 HG21 VAL 9 11.542 -7.957 -4.871 75 2HG2 VAL 9 HG22 VAL 9 12.599 -8.010 -3.458 76 3HG2 VAL 9 HG23 VAL 9 11.625 -6.573 -3.781 77 H TRP 10 HN TRP 10 7.542 -9.691 -3.875 78 HA TRP 10 HA TRP 10 5.881 -8.881 -1.639 79 1HB TRP 10 HB2 TRP 10 4.727 -9.529 -3.632 80 2HB TRP 10 HB1 TRP 10 5.582 -11.070 -3.695 81 HD1 TRP 10 HD1 TRP 10 3.995 -9.738 -0.458 82 HE1 TRP 10 HE1 TRP 10 2.099 -11.320 0.244 83 HE3 TRP 10 HE3 TRP 10 3.926 -12.769 -4.568 84 HZ2 TRP 10 HZ2 TRP 10 0.741 -13.562 -0.817 85 HZ3 TRP 10 HZ3 TRP 10 2.293 -14.604 -4.651 86 HH2 TRP 10 HH2 TRP 10 0.734 -14.995 -2.815 87 H ASN 11 HN ASN 11 6.383 -9.461 0.292 88 HA ASN 11 HA ASN 11 7.887 -11.889 0.853 89 1HB ASN 11 HB2 ASN 11 8.375 -9.688 1.974 90 2HB ASN 11 HB1 ASN 11 6.813 -9.814 2.775 91 1HD2 ASN 11 HD21 ASN 11 9.555 -9.726 3.788 92 2HD2 ASN 11 HD22 ASN 11 9.728 -11.129 4.800 93 H GLU 12 HN GLU 12 6.416 -13.503 0.380 94 HA GLU 12 HA GLU 12 3.684 -13.414 0.952 95 1HB GLU 12 HB2 GLU 12 3.619 -15.755 0.374 96 2HB GLU 12 HB1 GLU 12 4.708 -14.917 -0.722 97 1HG GLU 12 HG2 GLU 12 6.625 -15.777 0.445 98 2HG GLU 12 HG1 GLU 12 5.597 -16.501 1.679 99 H GLY 13 HN GLY 13 6.388 -14.419 2.958 100 1HA GLY 13 HA2 GLY 13 4.856 -16.036 4.738 101 2HA GLY 13 HA1 GLY 13 6.459 -15.384 5.050 102 H LYS 14 HN LYS 14 5.564 -12.641 4.556 103 HA LYS 14 HA LYS 14 4.313 -12.198 7.174 104 1HB LYS 14 HB2 LYS 14 6.069 -10.467 5.440 105 2HB LYS 14 HB1 LYS 14 5.167 -9.812 6.795 106 1HG LYS 14 HG2 LYS 14 7.468 -10.252 7.404 107 2HG LYS 14 HG1 LYS 14 6.368 -11.280 8.323 108 1HD LYS 14 HD2 LYS 14 6.891 -13.177 6.941 109 2HD LYS 14 HD1 LYS 14 7.828 -12.171 5.835 110 1HE LYS 14 HE2 LYS 14 9.462 -11.750 7.536 111 2HE LYS 14 HE1 LYS 14 8.500 -12.605 8.740 112 1HZ LYS 14 HZ1 LYS 14 8.807 -14.641 7.419 113 2HZ LYS 14 HZ2 LYS 14 10.279 -13.997 7.962 114 3HZ LYS 14 HZ3 LYS 14 9.808 -13.789 6.344 115 H ARG 15 HN ARG 15 3.453 -12.413 4.046 116 HA ARG 15 HA ARG 15 1.881 -11.531 2.653 117 1HB ARG 15 HB2 ARG 15 0.477 -10.631 5.172 118 2HB ARG 15 HB1 ARG 15 -0.248 -10.964 3.607 119 1HG ARG 15 HG2 ARG 15 0.201 -13.323 3.861 120 2HG ARG 15 HG1 ARG 15 1.045 -13.020 5.384 121 1HD ARG 15 HD2 ARG 15 -1.878 -12.657 4.772 122 2HD ARG 15 HD1 ARG 15 -1.142 -13.738 5.958 123 HE ARG 15 HE ARG 15 -0.691 -10.887 6.331 124 1HH1 ARG 15 HH11 ARG 15 -2.560 -13.717 7.233 125 2HH1 ARG 15 HH12 ARG 15 -3.098 -13.025 8.739 126 1HH2 ARG 15 HH21 ARG 15 -1.426 -9.986 8.287 127 2HH2 ARG 15 HH22 ARG 15 -2.493 -10.894 9.315 128 H ARG 16 HN ARG 16 3.892 -9.927 2.556 129 HA ARG 16 HA ARG 16 2.750 -7.255 2.656 130 1HB ARG 16 HB2 ARG 16 4.307 -6.317 4.110 131 2HB ARG 16 HB1 ARG 16 3.916 -7.852 4.863 132 1HG ARG 16 HG2 ARG 16 5.972 -8.818 4.107 133 2HG ARG 16 HG1 ARG 16 6.344 -7.372 3.160 134 1HD ARG 16 HD2 ARG 16 6.316 -6.059 5.264 135 2HD ARG 16 HD1 ARG 16 6.112 -7.563 6.157 136 HE ARG 16 HE ARG 16 8.404 -7.652 4.457 137 1HH1 ARG 16 HH11 ARG 16 7.208 -6.367 7.490 138 2HH1 ARG 16 HH12 ARG 16 8.784 -6.330 8.234 139 1HH2 ARG 16 HH21 ARG 16 10.470 -7.565 5.406 140 2HH2 ARG 16 HH22 ARG 16 10.648 -6.973 7.033 141 H PHE 17 HN PHE 17 4.178 -5.634 1.612 142 HA PHE 17 HA PHE 17 5.876 -6.904 -0.440 143 1HB PHE 17 HB2 PHE 17 4.487 -4.226 -0.639 144 2HB PHE 17 HB1 PHE 17 5.401 -5.032 -1.907 145 HD1 PHE 17 HD1 PHE 17 2.206 -4.333 -0.741 146 HD2 PHE 17 HD2 PHE 17 4.509 -7.489 -2.436 147 HE1 PHE 17 HE1 PHE 17 0.139 -5.406 -1.530 148 HE2 PHE 17 HE2 PHE 17 2.441 -8.563 -3.233 149 HZ PHE 17 HZ PHE 17 0.251 -7.502 -2.795 150 H GLU 18 HN GLU 18 7.912 -6.232 -0.675 151 HA GLU 18 HA GLU 18 8.888 -4.099 1.110 152 1HB GLU 18 HB2 GLU 18 9.805 -6.847 0.581 153 2HB GLU 18 HB1 GLU 18 11.078 -5.640 0.647 154 1HG GLU 18 HG2 GLU 18 10.525 -5.054 2.858 155 2HG GLU 18 HG1 GLU 18 9.003 -5.944 2.790 156 H THR 19 HN THR 19 10.127 -2.522 0.214 157 HA THR 19 HA THR 19 10.258 -2.330 -2.619 158 HB THR 19 HB THR 19 10.212 -0.348 -1.089 159 HG1 THR 19 HG1 THR 19 10.915 0.362 -2.983 160 1HG2 THR 19 HG21 THR 19 12.364 0.380 -0.096 161 2HG2 THR 19 HG22 THR 19 13.039 -1.201 -0.500 162 3HG2 THR 19 HG23 THR 19 11.700 -1.077 0.639 163 H GLU 20 HN GLU 20 12.499 -1.856 -3.677 164 HA GLU 20 HA GLU 20 13.995 -4.260 -3.623 165 1HB GLU 20 HB2 GLU 20 15.459 -3.139 -5.238 166 2HB GLU 20 HB1 GLU 20 13.766 -2.896 -5.633 167 1HG GLU 20 HG2 GLU 20 13.850 -0.663 -4.645 168 2HG GLU 20 HG1 GLU 20 15.560 -0.902 -4.283 169 H ASP 21 HN ASP 21 13.910 -1.903 -1.475 170 HA ASP 21 HA ASP 21 16.756 -1.977 -0.788 171 1HB ASP 21 HB2 ASP 21 16.242 0.250 -1.052 172 2HB ASP 21 HB1 ASP 21 14.581 0.041 -0.530 173 H HIS 22 HN HIS 22 13.582 -2.809 0.183 174 HA HIS 22 HA HIS 22 12.772 -4.233 1.713 175 1HB HIS 22 HB2 HIS 22 15.688 -4.856 2.097 176 2HB HIS 22 HB1 HIS 22 14.408 -5.700 2.965 177 HD1 HIS 22 HD1 HIS 22 12.967 -7.356 1.657 178 HD2 HIS 22 HD2 HIS 22 15.843 -5.435 -0.657 179 HE1 HIS 22 HE1 HIS 22 13.024 -8.601 -0.534 180 HE2 HIS 22 HE2 HIS 22 14.851 -7.490 -1.878 181 H GLU 23 HN GLU 23 14.709 -1.635 2.700 182 HA GLU 23 HA GLU 23 14.136 -1.955 5.517 183 1HB GLU 23 HB2 GLU 23 15.091 0.539 4.096 184 2HB GLU 23 HB1 GLU 23 15.250 0.152 5.807 185 1HG GLU 23 HG2 GLU 23 16.726 -1.730 5.208 186 2HG GLU 23 HG1 GLU 23 16.617 -1.244 3.517 187 H ALA 24 HN ALA 24 12.622 -0.839 2.738 188 HA ALA 24 HA ALA 24 10.460 0.405 4.294 189 1HB ALA 24 HB1 ALA 24 11.454 1.924 2.646 190 2HB ALA 24 HB2 ALA 24 9.785 1.529 2.232 191 3HB ALA 24 HB3 ALA 24 11.115 0.757 1.369 192 H PHE 25 HN PHE 25 8.472 -0.497 4.194 193 HA PHE 25 HA PHE 25 7.789 -2.490 2.226 194 1HB PHE 25 HB2 PHE 25 7.370 -4.266 3.920 195 2HB PHE 25 HB1 PHE 25 9.079 -3.918 3.669 196 HD1 PHE 25 HD1 PHE 25 6.241 -3.578 5.979 197 HD2 PHE 25 HD2 PHE 25 10.423 -3.011 5.432 198 HE1 PHE 25 HE1 PHE 25 6.507 -3.226 8.400 199 HE2 PHE 25 HE2 PHE 25 10.693 -2.663 7.849 200 HZ PHE 25 HZ PHE 25 8.735 -2.768 9.336 201 H ILE 26 HN ILE 26 5.627 -3.384 2.612 202 HA ILE 26 HA ILE 26 3.993 -1.891 4.525 203 HB ILE 26 HB ILE 26 3.893 -1.355 1.807 204 1HG1 ILE 26 HG12 ILE 26 1.910 -0.954 4.032 205 2HG1 ILE 26 HG11 ILE 26 3.163 0.150 3.472 206 1HG2 ILE 26 HG21 ILE 26 1.526 -3.108 2.479 207 2HG2 ILE 26 HG22 ILE 26 2.790 -3.474 1.304 208 3HG2 ILE 26 HG23 ILE 26 1.696 -2.119 1.028 209 1HD1 ILE 26 HD11 ILE 26 0.685 -0.644 1.970 210 2HD1 ILE 26 HD12 ILE 26 1.956 0.416 1.359 211 3HD1 ILE 26 HD13 ILE 26 0.993 0.907 2.753 212 H GLU 27 HN GLU 27 2.617 -3.192 5.649 213 HA GLU 27 HA GLU 27 2.534 -6.022 4.869 214 1HB GLU 27 HB2 GLU 27 2.147 -4.551 7.431 215 2HB GLU 27 HB1 GLU 27 1.236 -6.037 7.207 216 1HG GLU 27 HG2 GLU 27 3.016 -7.090 8.004 217 2HG GLU 27 HG1 GLU 27 3.783 -6.752 6.456 218 H TYR 28 HN TYR 28 0.396 -7.146 5.259 219 HA TYR 28 HA TYR 28 -1.961 -5.543 5.369 220 1HB TYR 28 HB2 TYR 28 -2.895 -6.005 3.200 221 2HB TYR 28 HB1 TYR 28 -1.304 -5.309 2.948 222 HD1 TYR 28 HD1 TYR 28 -3.230 -8.475 2.854 223 HD2 TYR 28 HD2 TYR 28 0.385 -6.504 1.772 224 HE1 TYR 28 HE1 TYR 28 -2.641 -10.369 1.403 225 HE2 TYR 28 HE2 TYR 28 0.986 -8.400 0.322 226 HH TYR 28 HH TYR 28 -1.206 -10.797 -0.594 227 H LYS 29 HN LYS 29 -3.932 -6.875 5.179 228 HA LYS 29 HA LYS 29 -3.582 -9.707 5.748 229 1HB LYS 29 HB2 LYS 29 -5.178 -9.245 7.793 230 2HB LYS 29 HB1 LYS 29 -3.431 -9.093 7.960 231 1HG LYS 29 HG2 LYS 29 -3.784 -6.632 7.353 232 2HG LYS 29 HG1 LYS 29 -5.486 -6.931 7.691 233 1HD LYS 29 HD2 LYS 29 -4.023 -5.995 9.541 234 2HD LYS 29 HD1 LYS 29 -5.082 -7.347 9.952 235 1HE LYS 29 HE2 LYS 29 -3.183 -8.877 9.719 236 2HE LYS 29 HE1 LYS 29 -2.138 -7.524 9.286 237 1HZ LYS 29 HZ1 LYS 29 -2.040 -8.295 11.665 238 2HZ LYS 29 HZ2 LYS 29 -3.596 -7.646 11.868 239 3HZ LYS 29 HZ3 LYS 29 -2.299 -6.639 11.439 240 H MET 30 HN MET 30 -5.224 -10.871 4.914 241 HA MET 30 HA MET 30 -7.326 -9.426 3.536 242 1HB MET 30 HB2 MET 30 -6.784 -12.410 3.709 243 2HB MET 30 HB1 MET 30 -7.886 -11.619 2.589 244 1HG MET 30 HG2 MET 30 -6.070 -10.521 1.481 245 2HG MET 30 HG1 MET 30 -4.924 -11.116 2.680 246 1HE MET 30 HE1 MET 30 -7.308 -12.051 -0.275 247 2HE MET 30 HE2 MET 30 -7.913 -13.106 1.003 248 3HE MET 30 HE3 MET 30 -7.088 -13.796 -0.395 249 H ARG 31 HN ARG 31 -9.006 -8.805 4.642 250 HA ARG 31 HA ARG 31 -9.955 -10.317 6.974 251 1HB ARG 31 HB2 ARG 31 -10.455 -7.489 6.017 252 2HB ARG 31 HB1 ARG 31 -11.274 -8.204 7.397 253 1HG ARG 31 HG2 ARG 31 -9.238 -8.356 8.624 254 2HG ARG 31 HG1 ARG 31 -8.281 -7.940 7.201 255 1HD ARG 31 HD2 ARG 31 -8.522 -6.044 8.755 256 2HD ARG 31 HD1 ARG 31 -9.223 -5.710 7.173 257 HE ARG 31 HE ARG 31 -11.162 -6.726 8.994 258 1HH1 ARG 31 HH11 ARG 31 -9.377 -3.809 8.182 259 2HH1 ARG 31 HH12 ARG 31 -10.630 -2.743 8.762 260 1HH2 ARG 31 HH21 ARG 31 -12.802 -5.321 9.741 261 2HH2 ARG 31 HH22 ARG 31 -12.570 -3.599 9.642 262 H ASN 32 HN ASN 32 -12.380 -10.303 7.253 263 HA ASN 32 HA ASN 32 -14.498 -10.757 6.561 264 1HB ASN 32 HB2 ASN 32 -14.130 -8.437 5.531 265 2HB ASN 32 HB1 ASN 32 -13.829 -9.274 4.012 266 1HD2 ASN 32 HD21 ASN 32 -15.596 -8.172 3.129 267 2HD2 ASN 32 HD22 ASN 32 -17.220 -8.670 3.455 268 H ASN 33 HN ASN 33 -12.797 -12.796 6.257 269 HA ASN 33 HA ASN 33 -12.497 -14.808 5.256 270 1HB ASN 33 HB2 ASN 33 -14.885 -13.881 3.673 271 2HB ASN 33 HB1 ASN 33 -14.108 -15.428 3.360 272 1HD2 ASN 33 HD21 ASN 33 -16.790 -14.796 4.335 273 2HD2 ASN 33 HD22 ASN 33 -16.954 -15.652 5.832 274 H GLY 34 HN GLY 34 -11.338 -12.206 4.235 275 1HA GLY 34 HA2 GLY 34 -9.470 -11.965 2.873 276 2HA GLY 34 HA1 GLY 34 -9.886 -13.462 2.061 277 H LYS 35 HN LYS 35 -12.369 -11.112 2.458 278 HA LYS 35 HA LYS 35 -12.320 -10.589 -0.415 279 1HB LYS 35 HB2 LYS 35 -14.381 -9.766 1.637 280 2HB LYS 35 HB1 LYS 35 -14.543 -9.648 -0.111 281 1HG LYS 35 HG2 LYS 35 -14.329 -12.170 1.512 282 2HG LYS 35 HG1 LYS 35 -15.773 -11.549 0.707 283 1HD LYS 35 HD2 LYS 35 -14.705 -11.819 -1.462 284 2HD LYS 35 HD1 LYS 35 -13.228 -12.386 -0.683 285 1HE LYS 35 HE2 LYS 35 -14.524 -14.256 -1.539 286 2HE LYS 35 HE1 LYS 35 -14.440 -14.304 0.221 287 1HZ LYS 35 HZ1 LYS 35 -16.654 -13.435 0.357 288 2HZ LYS 35 HZ2 LYS 35 -16.667 -14.788 -0.668 289 3HZ LYS 35 HZ3 LYS 35 -16.733 -13.227 -1.324 290 H VAL 36 HN VAL 36 -11.384 -9.144 2.501 291 HA VAL 36 HA VAL 36 -11.013 -6.570 1.127 292 HB VAL 36 HB VAL 36 -11.689 -6.985 4.043 293 1HG1 VAL 36 HG11 VAL 36 -11.081 -4.441 2.534 294 2HG1 VAL 36 HG12 VAL 36 -10.104 -5.162 3.813 295 3HG1 VAL 36 HG13 VAL 36 -11.703 -4.518 4.182 296 1HG2 VAL 36 HG21 VAL 36 -13.241 -5.636 1.837 297 2HG2 VAL 36 HG22 VAL 36 -13.727 -5.745 3.529 298 3HG2 VAL 36 HG23 VAL 36 -13.612 -7.207 2.551 299 H MET 37 HN MET 37 -8.950 -6.030 0.926 300 HA MET 37 HA MET 37 -6.982 -7.364 2.618 301 1HB MET 37 HB2 MET 37 -6.798 -5.798 0.058 302 2HB MET 37 HB1 MET 37 -5.364 -6.125 1.031 303 1HG MET 37 HG2 MET 37 -5.921 -8.555 0.883 304 2HG MET 37 HG1 MET 37 -7.194 -8.132 -0.259 305 1HE MET 37 HE1 MET 37 -6.051 -9.893 -1.949 306 2HE MET 37 HE2 MET 37 -4.773 -10.196 -0.773 307 3HE MET 37 HE3 MET 37 -4.360 -9.799 -2.441 308 H ASP 38 HN ASP 38 -6.517 -6.441 4.447 309 HA ASP 38 HA ASP 38 -6.800 -3.567 4.768 310 1HB ASP 38 HB2 ASP 38 -7.499 -5.378 6.476 311 2HB ASP 38 HB1 ASP 38 -5.783 -5.514 6.834 312 H LEU 39 HN LEU 39 -5.197 -2.418 3.988 313 HA LEU 39 HA LEU 39 -2.498 -3.431 3.849 314 1HB LEU 39 HB2 LEU 39 -3.833 -0.871 2.996 315 2HB LEU 39 HB1 LEU 39 -2.086 -1.011 2.996 316 HG LEU 39 HG LEU 39 -2.106 -2.643 1.297 317 1HD1 LEU 39 HD11 LEU 39 -3.952 -4.022 2.072 318 2HD1 LEU 39 HD12 LEU 39 -4.121 -3.628 0.362 319 3HD1 LEU 39 HD13 LEU 39 -5.096 -2.781 1.563 320 1HD2 LEU 39 HD21 LEU 39 -3.284 -1.499 -0.519 321 2HD2 LEU 39 HD22 LEU 39 -2.445 -0.359 0.533 322 3HD2 LEU 39 HD23 LEU 39 -4.191 -0.563 0.668 323 H VAL 40 HN VAL 40 -1.251 -3.409 5.579 324 HA VAL 40 HA VAL 40 -1.869 -1.426 7.666 325 HB VAL 40 HB VAL 40 -0.617 -4.146 8.080 326 1HG1 VAL 40 HG11 VAL 40 -1.202 -3.753 10.433 327 2HG1 VAL 40 HG12 VAL 40 -1.788 -2.146 10.005 328 3HG1 VAL 40 HG13 VAL 40 -0.081 -2.543 9.812 329 1HG2 VAL 40 HG21 VAL 40 -2.774 -4.891 8.911 330 2HG2 VAL 40 HG22 VAL 40 -2.897 -4.384 7.226 331 3HG2 VAL 40 HG23 VAL 40 -3.483 -3.328 8.511 332 H HIS 41 HN HIS 41 -0.320 0.080 7.804 333 HA HIS 41 HA HIS 41 1.656 0.873 8.583 334 1HB HIS 41 HB2 HIS 41 1.798 -1.319 9.818 335 2HB HIS 41 HB1 HIS 41 2.709 -1.955 8.458 336 HD1 HIS 41 HD1 HIS 41 3.187 -0.525 11.670 337 HD2 HIS 41 HD2 HIS 41 5.200 -0.269 8.040 338 HE1 HIS 41 HE1 HIS 41 5.514 0.240 12.242 339 HE2 HIS 41 HE2 HIS 41 6.776 0.090 10.066 340 H THR 42 HN THR 42 2.062 2.084 6.791 341 HA THR 42 HA THR 42 3.827 0.988 4.763 342 HB THR 42 HB THR 42 2.150 2.733 4.102 343 HG1 THR 42 HG1 THR 42 3.547 3.289 2.634 344 1HG2 THR 42 HG21 THR 42 3.841 4.519 5.863 345 2HG2 THR 42 HG22 THR 42 2.148 4.088 6.121 346 3HG2 THR 42 HG23 THR 42 2.601 5.083 4.737 347 H TYR 43 HN TYR 43 6.030 1.175 4.861 348 HA TYR 43 HA TYR 43 7.105 3.149 6.723 349 1HB TYR 43 HB2 TYR 43 6.985 0.820 7.797 350 2HB TYR 43 HB1 TYR 43 8.269 0.372 6.672 351 HD1 TYR 43 HD1 TYR 43 7.579 3.356 8.842 352 HD2 TYR 43 HD2 TYR 43 10.316 0.338 7.638 353 HE1 TYR 43 HE1 TYR 43 9.258 4.268 10.393 354 HE2 TYR 43 HE2 TYR 43 12.000 1.228 9.168 355 HH TYR 43 HH TYR 43 12.547 3.288 10.332 356 H VAL 44 HN VAL 44 9.016 4.018 6.163 357 HA VAL 44 HA VAL 44 10.603 2.986 4.002 358 HB VAL 44 HB VAL 44 8.738 4.081 2.784 359 1HG1 VAL 44 HG11 VAL 44 9.687 6.588 4.160 360 2HG1 VAL 44 HG12 VAL 44 8.124 5.798 4.358 361 3HG1 VAL 44 HG13 VAL 44 8.546 6.538 2.815 362 1HG2 VAL 44 HG21 VAL 44 11.395 5.474 2.521 363 2HG2 VAL 44 HG22 VAL 44 10.119 5.454 1.302 364 3HG2 VAL 44 HG23 VAL 44 10.928 3.955 1.758 365 HA PRO 45 HA PRO 45 13.511 5.236 6.564 366 1HB PRO 45 HB2 PRO 45 15.391 4.878 4.330 367 2HB PRO 45 HB1 PRO 45 15.489 4.276 5.987 368 1HG PRO 45 HG2 PRO 45 15.005 2.638 3.920 369 2HG PRO 45 HG1 PRO 45 14.263 2.381 5.512 370 1HD PRO 45 HD2 PRO 45 13.075 3.592 3.040 371 2HD PRO 45 HD1 PRO 45 12.355 2.444 4.190 372 H SER 46 HN SER 46 15.077 7.042 6.328 373 HA SER 46 HA SER 46 13.825 9.322 5.338 374 1HB SER 46 HB2 SER 46 16.262 10.253 5.731 375 2HB SER 46 HB1 SER 46 15.277 9.710 7.092 376 HG SER 46 HG SER 46 17.174 8.659 7.360 377 H PHE 47 HN PHE 47 15.968 7.123 3.784 378 HA PHE 47 HA PHE 47 17.038 8.722 1.745 379 1HB PHE 47 HB2 PHE 47 17.713 6.362 2.383 380 2HB PHE 47 HB1 PHE 47 16.284 5.805 1.528 381 HD1 PHE 47 HD1 PHE 47 16.176 5.880 -0.897 382 HD2 PHE 47 HD2 PHE 47 19.637 7.201 1.196 383 HE1 PHE 47 HE1 PHE 47 17.466 5.801 -2.990 384 HE2 PHE 47 HE2 PHE 47 20.933 7.120 -0.891 385 HZ PHE 47 HZ PHE 47 19.848 6.421 -2.990 386 H LYS 48 HN LYS 48 13.880 7.237 2.114 387 HA LYS 48 HA LYS 48 13.123 8.207 -0.563 388 1HB LYS 48 HB2 LYS 48 12.458 5.483 0.572 389 2HB LYS 48 HB1 LYS 48 11.851 6.130 -0.945 390 1HG LYS 48 HG2 LYS 48 14.068 6.138 -1.879 391 2HG LYS 48 HG1 LYS 48 14.754 5.631 -0.335 392 1HD LYS 48 HD2 LYS 48 12.725 4.017 -1.871 393 2HD LYS 48 HD1 LYS 48 14.466 3.800 -2.029 394 1HE LYS 48 HE2 LYS 48 12.910 3.544 0.542 395 2HE LYS 48 HE1 LYS 48 13.420 2.191 -0.466 396 1HZ LYS 48 HZ1 LYS 48 14.981 2.427 1.291 397 2HZ LYS 48 HZ2 LYS 48 15.167 4.084 1.006 398 3HZ LYS 48 HZ3 LYS 48 15.748 2.968 -0.124 399 H ARG 49 HN ARG 49 12.600 8.918 2.392 400 HA ARG 49 HA ARG 49 9.969 8.200 3.046 401 1HB ARG 49 HB2 ARG 49 10.088 10.152 4.640 402 2HB ARG 49 HB1 ARG 49 11.365 8.956 4.799 403 1HG ARG 49 HG2 ARG 49 12.899 10.398 3.592 404 2HG ARG 49 HG1 ARG 49 11.613 11.594 3.368 405 1HD ARG 49 HD2 ARG 49 11.429 11.827 5.804 406 2HD ARG 49 HD1 ARG 49 12.737 10.662 6.006 407 HE ARG 49 HE ARG 49 13.359 13.003 4.406 408 1HH1 ARG 49 HH11 ARG 49 13.460 11.447 7.543 409 2HH1 ARG 49 HH12 ARG 49 14.701 12.499 8.168 410 1HH2 ARG 49 HH21 ARG 49 14.989 14.400 5.230 411 2HH2 ARG 49 HH22 ARG 49 15.550 14.185 6.861 412 H GLY 50 HN GLY 50 11.192 11.216 1.572 413 1HA GLY 50 HA2 GLY 50 8.406 11.957 0.987 414 2HA GLY 50 HA1 GLY 50 9.790 13.042 0.928 415 H LEU 51 HN LEU 51 10.010 9.877 -0.432 416 HA LEU 51 HA LEU 51 10.413 11.082 -3.059 417 1HB LEU 51 HB2 LEU 51 12.070 9.479 -2.059 418 2HB LEU 51 HB1 LEU 51 10.853 8.224 -2.214 419 HG LEU 51 HG LEU 51 10.855 8.542 -4.665 420 1HD1 LEU 51 HD11 LEU 51 13.127 10.443 -4.102 421 2HD1 LEU 51 HD12 LEU 51 11.546 10.867 -4.758 422 3HD1 LEU 51 HD13 LEU 51 12.648 9.860 -5.694 423 1HD2 LEU 51 HD21 LEU 51 12.248 6.821 -3.666 424 2HD2 LEU 51 HD22 LEU 51 13.554 7.984 -3.436 425 3HD2 LEU 51 HD23 LEU 51 13.052 7.530 -5.066 426 H GLY 52 HN GLY 52 8.120 9.102 -1.342 427 1HA GLY 52 HA2 GLY 52 5.899 8.979 -2.436 428 2HA GLY 52 HA1 GLY 52 6.765 8.612 -3.920 429 H LEU 53 HN LEU 53 8.636 6.940 -2.177 430 HA LEU 53 HA LEU 53 7.762 4.507 -3.130 431 1HB LEU 53 HB2 LEU 53 10.081 5.086 -2.394 432 2HB LEU 53 HB1 LEU 53 9.543 4.950 -0.734 433 HG LEU 53 HG LEU 53 10.834 2.984 -1.759 434 1HD1 LEU 53 HD11 LEU 53 9.559 1.345 -0.516 435 2HD1 LEU 53 HD12 LEU 53 8.167 2.429 -0.470 436 3HD1 LEU 53 HD13 LEU 53 9.651 2.861 0.382 437 1HD2 LEU 53 HD21 LEU 53 9.469 1.358 -2.968 438 2HD2 LEU 53 HD22 LEU 53 9.625 2.871 -3.861 439 3HD2 LEU 53 HD23 LEU 53 8.129 2.506 -3.000 440 H ALA 54 HN ALA 54 7.289 5.839 0.141 441 HA ALA 54 HA ALA 54 6.158 3.652 1.390 442 1HB ALA 54 HB1 ALA 54 5.061 5.248 2.881 443 2HB ALA 54 HB2 ALA 54 5.388 6.549 1.735 444 3HB ALA 54 HB3 ALA 54 6.724 5.728 2.543 445 H SER 55 HN SER 55 4.480 6.198 -0.402 446 HA SER 55 HA SER 55 1.923 5.055 -0.295 447 1HB SER 55 HB2 SER 55 3.067 6.965 -2.344 448 2HB SER 55 HB1 SER 55 1.354 6.679 -2.032 449 HG SER 55 HG SER 55 2.551 8.543 -0.953 450 H HIS 56 HN HIS 56 4.610 4.577 -2.504 451 HA HIS 56 HA HIS 56 3.158 3.261 -4.553 452 1HB HIS 56 HB2 HIS 56 6.065 3.297 -3.796 453 2HB HIS 56 HB1 HIS 56 5.484 2.175 -5.017 454 HD1 HIS 56 HD1 HIS 56 5.893 3.047 -7.282 455 HD2 HIS 56 HD2 HIS 56 4.991 6.095 -4.588 456 HE1 HIS 56 HE1 HIS 56 5.970 5.184 -8.614 457 HE2 HIS 56 HE2 HIS 56 5.378 7.016 -6.981 458 H LEU 57 HN LEU 57 4.508 2.198 -1.518 459 HA LEU 57 HA LEU 57 4.284 -0.594 -1.946 460 1HB LEU 57 HB2 LEU 57 4.042 0.926 0.661 461 2HB LEU 57 HB1 LEU 57 4.389 -0.784 0.484 462 HG LEU 57 HG LEU 57 6.209 1.366 -0.587 463 1HD1 LEU 57 HD11 LEU 57 6.334 -0.080 2.055 464 2HD1 LEU 57 HD12 LEU 57 6.012 1.638 1.820 465 3HD1 LEU 57 HD13 LEU 57 7.588 0.969 1.396 466 1HD2 LEU 57 HD21 LEU 57 6.627 -1.565 -0.001 467 2HD2 LEU 57 HD22 LEU 57 7.853 -0.444 -0.590 468 3HD2 LEU 57 HD23 LEU 57 6.464 -0.839 -1.601 469 H CYS 58 HN CYS 58 2.118 1.845 -0.615 470 HA CYS 58 HA CYS 58 -0.061 0.154 -0.043 471 1HB CYS 58 HB2 CYS 58 0.210 2.493 0.788 472 2HB CYS 58 HB1 CYS 58 -0.141 3.074 -0.841 473 HG CYS 58 HG CYS 58 -2.685 1.443 -0.581 474 H VAL 59 HN VAL 59 0.833 1.977 -2.929 475 HA VAL 59 HA VAL 59 -1.453 1.454 -4.466 476 HB VAL 59 HB VAL 59 1.392 1.996 -5.319 477 1HG1 VAL 59 HG11 VAL 59 0.241 0.859 -7.133 478 2HG1 VAL 59 HG12 VAL 59 0.466 2.564 -7.525 479 3HG1 VAL 59 HG13 VAL 59 -1.114 1.979 -7.000 480 1HG2 VAL 59 HG21 VAL 59 0.334 3.794 -4.067 481 2HG2 VAL 59 HG22 VAL 59 -1.036 3.773 -5.178 482 3HG2 VAL 59 HG23 VAL 59 0.560 4.248 -5.756 483 H ALA 60 HN ALA 60 1.531 -0.405 -4.033 484 HA ALA 60 HA ALA 60 1.044 -2.284 -6.078 485 1HB ALA 60 HB1 ALA 60 3.240 -1.968 -5.029 486 2HB ALA 60 HB2 ALA 60 2.732 -3.656 -4.988 487 3HB ALA 60 HB3 ALA 60 2.622 -2.665 -3.532 488 H ALA 61 HN ALA 61 -0.010 -2.187 -2.682 489 HA ALA 61 HA ALA 61 -1.134 -4.805 -2.776 490 1HB ALA 61 HB1 ALA 61 -0.572 -3.732 -0.663 491 2HB ALA 61 HB2 ALA 61 -2.281 -4.167 -0.716 492 3HB ALA 61 HB3 ALA 61 -1.787 -2.490 -0.960 493 H PHE 62 HN PHE 62 -2.260 -1.548 -3.473 494 HA PHE 62 HA PHE 62 -4.951 -2.113 -4.001 495 1HB PHE 62 HB2 PHE 62 -3.068 -0.053 -5.139 496 2HB PHE 62 HB1 PHE 62 -4.735 -0.177 -5.680 497 HD1 PHE 62 HD1 PHE 62 -6.148 -0.680 -3.177 498 HD2 PHE 62 HD2 PHE 62 -2.930 1.964 -4.020 499 HE1 PHE 62 HE1 PHE 62 -6.896 0.805 -1.362 500 HE2 PHE 62 HE2 PHE 62 -3.669 3.459 -2.205 501 HZ PHE 62 HZ PHE 62 -5.651 2.869 -0.868 502 H GLU 63 HN GLU 63 -2.145 -2.068 -6.195 503 HA GLU 63 HA GLU 63 -3.405 -2.751 -8.568 504 1HB GLU 63 HB2 GLU 63 -0.696 -3.764 -7.693 505 2HB GLU 63 HB1 GLU 63 -1.262 -3.583 -9.345 506 1HG GLU 63 HG2 GLU 63 -1.385 -1.121 -8.935 507 2HG GLU 63 HG1 GLU 63 -0.607 -1.405 -7.382 508 H HIS 64 HN HIS 64 -2.377 -4.777 -5.917 509 HA HIS 64 HA HIS 64 -2.641 -7.243 -7.317 510 1HB HIS 64 HB2 HIS 64 -1.168 -6.827 -5.313 511 2HB HIS 64 HB1 HIS 64 -2.627 -6.831 -4.328 512 HD1 HIS 64 HD1 HIS 64 -0.497 -9.109 -6.460 513 HD2 HIS 64 HD2 HIS 64 -3.614 -9.352 -3.710 514 HE1 HIS 64 HE1 HIS 64 -0.743 -11.549 -5.924 515 HE2 HIS 64 HE2 HIS 64 -2.762 -11.686 -4.436 516 H ALA 65 HN ALA 65 -4.618 -5.595 -4.864 517 HA ALA 65 HA ALA 65 -6.608 -7.630 -4.834 518 1HB ALA 65 HB1 ALA 65 -6.785 -4.801 -3.828 519 2HB ALA 65 HB2 ALA 65 -6.175 -6.182 -2.916 520 3HB ALA 65 HB3 ALA 65 -7.865 -6.131 -3.414 521 H SER 66 HN SER 66 -6.500 -4.359 -6.272 522 HA SER 66 HA SER 66 -9.063 -4.231 -7.276 523 1HB SER 66 HB2 SER 66 -8.118 -2.725 -9.046 524 2HB SER 66 HB1 SER 66 -7.609 -2.320 -7.407 525 HG SER 66 HG SER 66 -5.610 -3.046 -7.820 526 H SER 67 HN SER 67 -6.243 -5.731 -8.832 527 HA SER 67 HA SER 67 -7.555 -6.342 -11.253 528 1HB SER 67 HB2 SER 67 -5.038 -6.275 -10.796 529 2HB SER 67 HB1 SER 67 -5.227 -7.891 -10.118 530 HG SER 67 HG SER 67 -5.497 -8.700 -12.063 531 H HIS 68 HN HIS 68 -7.284 -8.062 -8.192 532 HA HIS 68 HA HIS 68 -8.518 -10.452 -9.316 533 1HB HIS 68 HB2 HIS 68 -6.669 -10.451 -7.547 534 2HB HIS 68 HB1 HIS 68 -7.903 -9.943 -6.403 535 HD1 HIS 68 HD1 HIS 68 -9.897 -11.717 -6.002 536 HD2 HIS 68 HD2 HIS 68 -6.567 -13.133 -8.041 537 HE1 HIS 68 HE1 HIS 68 -10.017 -14.222 -5.836 538 HE2 HIS 68 HE2 HIS 68 -7.889 -15.042 -6.907 539 H SER 69 HN SER 69 -9.707 -7.565 -8.477 540 HA SER 69 HA SER 69 -11.745 -6.741 -7.924 541 1HB SER 69 HB2 SER 69 -12.638 -8.423 -9.483 542 2HB SER 69 HB1 SER 69 -12.663 -9.618 -8.191 543 HG SER 69 HG SER 69 -14.056 -7.942 -7.093 544 H ILE 70 HN ILE 70 -9.926 -7.317 -5.901 545 HA ILE 70 HA ILE 70 -11.603 -8.244 -3.670 546 HB ILE 70 HB ILE 70 -8.604 -7.768 -3.761 547 1HG1 ILE 70 HG12 ILE 70 -10.183 -10.355 -3.725 548 2HG1 ILE 70 HG11 ILE 70 -9.325 -9.698 -5.116 549 1HG2 ILE 70 HG21 ILE 70 -9.470 -7.420 -1.528 550 2HG2 ILE 70 HG22 ILE 70 -8.574 -8.938 -1.594 551 3HG2 ILE 70 HG23 ILE 70 -10.339 -8.955 -1.593 552 1HD1 ILE 70 HD11 ILE 70 -8.036 -11.456 -4.094 553 2HD1 ILE 70 HD12 ILE 70 -8.095 -10.633 -2.535 554 3HD1 ILE 70 HD13 ILE 70 -7.213 -9.910 -3.880 555 H SER 71 HN SER 71 -11.866 -6.921 -1.820 556 HA SER 71 HA SER 71 -11.643 -4.067 -2.394 557 1HB SER 71 HB2 SER 71 -12.991 -5.456 -0.062 558 2HB SER 71 HB1 SER 71 -13.178 -3.767 -0.538 559 HG SER 71 HG SER 71 -13.724 -5.739 -2.440 560 H ILE 72 HN ILE 72 -11.006 -2.679 -0.400 561 HA ILE 72 HA ILE 72 -8.775 -3.916 1.053 562 HB ILE 72 HB ILE 72 -8.524 -1.637 -0.930 563 1HG1 ILE 72 HG12 ILE 72 -7.240 -4.349 -0.667 564 2HG1 ILE 72 HG11 ILE 72 -8.234 -3.746 -1.987 565 1HG2 ILE 72 HG21 ILE 72 -6.186 -1.373 -0.208 566 2HG2 ILE 72 HG22 ILE 72 -6.504 -2.462 1.145 567 3HG2 ILE 72 HG23 ILE 72 -7.346 -0.914 1.040 568 1HD1 ILE 72 HD11 ILE 72 -5.500 -2.716 -1.290 569 2HD1 ILE 72 HD12 ILE 72 -6.496 -2.227 -2.660 570 3HD1 ILE 72 HD13 ILE 72 -5.864 -3.870 -2.570 571 H ILE 73 HN ILE 73 -8.094 -2.754 2.856 572 HA ILE 73 HA ILE 73 -9.341 -0.163 3.479 573 HB ILE 73 HB ILE 73 -9.248 -2.588 5.293 574 1HG1 ILE 73 HG12 ILE 73 -11.241 -2.354 3.890 575 2HG1 ILE 73 HG11 ILE 73 -11.634 -2.135 5.594 576 1HG2 ILE 73 HG21 ILE 73 -8.331 -0.726 6.540 577 2HG2 ILE 73 HG22 ILE 73 -9.947 -1.121 7.135 578 3HG2 ILE 73 HG23 ILE 73 -9.710 0.281 6.091 579 1HD1 ILE 73 HD11 ILE 73 -11.277 0.065 3.571 580 2HD1 ILE 73 HD12 ILE 73 -11.689 0.283 5.272 581 3HD1 ILE 73 HD13 ILE 73 -12.814 -0.537 4.190 582 HA PRO 74 HA PRO 74 -4.923 0.081 4.207 583 1HB PRO 74 HB2 PRO 74 -4.861 2.800 3.544 584 2HB PRO 74 HB1 PRO 74 -4.620 1.448 2.437 585 1HG PRO 74 HG2 PRO 74 -6.777 3.275 2.440 586 2HG PRO 74 HG1 PRO 74 -6.640 1.793 1.480 587 1HD PRO 74 HD2 PRO 74 -8.100 2.275 4.029 588 2HD PRO 74 HD1 PRO 74 -8.482 1.163 2.695 589 H SER 75 HN SER 75 -4.605 -0.061 6.402 590 HA SER 75 HA SER 75 -5.111 2.097 8.220 591 1HB SER 75 HB2 SER 75 -4.774 -0.220 9.005 592 2HB SER 75 HB1 SER 75 -3.126 -0.197 8.380 593 HG SER 75 HG SER 75 -4.087 1.631 10.334 594 H CYS 76 HN CYS 76 -2.827 1.334 5.849 595 HA CYS 76 HA CYS 76 -0.774 3.190 6.383 596 1HB CYS 76 HB2 CYS 76 -1.666 2.276 3.650 597 2HB CYS 76 HB1 CYS 76 -0.073 2.827 4.146 598 HG CYS 76 HG CYS 76 -0.319 -0.043 3.669 599 H SER 77 HN SER 77 -3.667 4.080 6.519 600 HA SER 77 HA SER 77 -4.567 5.571 4.427 601 1HB SER 77 HB2 SER 77 -5.834 6.823 6.260 602 2HB SER 77 HB1 SER 77 -6.034 5.072 6.181 603 HG SER 77 HG SER 77 -4.982 6.621 8.166 604 H TYR 78 HN TYR 78 -1.795 6.476 6.303 605 HA TYR 78 HA TYR 78 -1.813 9.241 5.837 606 1HB TYR 78 HB2 TYR 78 0.202 8.909 6.805 607 2HB TYR 78 HB1 TYR 78 0.198 7.206 6.371 608 HD1 TYR 78 HD1 TYR 78 1.121 10.591 5.203 609 HD2 TYR 78 HD2 TYR 78 1.539 6.406 4.538 610 HE1 TYR 78 HE1 TYR 78 2.953 11.037 3.630 611 HE2 TYR 78 HE2 TYR 78 3.370 6.841 2.950 612 HH TYR 78 HH TYR 78 4.320 8.534 1.637 613 H VAL 79 HN VAL 79 -0.930 6.531 3.765 614 HA VAL 79 HA VAL 79 -0.460 7.970 1.386 615 HB VAL 79 HB VAL 79 -1.462 5.135 1.743 616 1HG1 VAL 79 HG11 VAL 79 -0.175 6.433 -0.654 617 2HG1 VAL 79 HG12 VAL 79 -1.873 5.980 -0.508 618 3HG1 VAL 79 HG13 VAL 79 -0.625 4.734 -0.504 619 1HG2 VAL 79 HG21 VAL 79 0.869 4.472 1.432 620 2HG2 VAL 79 HG22 VAL 79 0.667 5.488 2.859 621 3HG2 VAL 79 HG23 VAL 79 1.345 6.169 1.381 622 H SER 80 HN SER 80 -3.312 6.403 2.755 623 HA SER 80 HA SER 80 -5.018 6.729 0.556 624 1HB SER 80 HB2 SER 80 -5.849 6.777 3.459 625 2HB SER 80 HB1 SER 80 -6.808 6.241 2.076 626 HG SER 80 HG SER 80 -5.138 4.612 1.769 627 H ASP 81 HN ASP 81 -4.302 8.880 3.228 628 HA ASP 81 HA ASP 81 -6.426 10.696 2.770 629 1HB ASP 81 HB2 ASP 81 -5.473 10.671 4.934 630 2HB ASP 81 HB1 ASP 81 -3.835 10.833 4.318 631 H THR 82 HN THR 82 -2.928 10.886 1.990 632 HA THR 82 HA THR 82 -3.427 13.310 0.472 633 HB THR 82 HB THR 82 -1.441 13.391 1.778 634 HG1 THR 82 HG1 THR 82 -0.887 14.458 -0.004 635 1HG2 THR 82 HG21 THR 82 0.437 11.833 1.478 636 2HG2 THR 82 HG22 THR 82 -0.539 10.884 0.356 637 3HG2 THR 82 HG23 THR 82 -1.013 11.008 2.050 638 H PHE 83 HN PHE 83 -2.229 10.035 -0.203 639 HA PHE 83 HA PHE 83 -1.562 10.649 -2.910 640 1HB PHE 83 HB2 PHE 83 -0.622 8.872 -1.214 641 2HB PHE 83 HB1 PHE 83 -1.858 7.853 -1.936 642 HD1 PHE 83 HD1 PHE 83 -1.056 6.429 -3.539 643 HD2 PHE 83 HD2 PHE 83 0.649 10.315 -3.193 644 HE1 PHE 83 HE1 PHE 83 0.446 5.939 -5.426 645 HE2 PHE 83 HE2 PHE 83 2.157 9.826 -5.072 646 HZ PHE 83 HZ PHE 83 2.055 7.635 -6.193 647 H LEU 84 HN LEU 84 -4.330 9.166 -1.330 648 HA LEU 84 HA LEU 84 -5.289 7.959 -3.734 649 1HB LEU 84 HB2 LEU 84 -6.288 8.223 -0.973 650 2HB LEU 84 HB1 LEU 84 -7.473 7.881 -2.222 651 HG LEU 84 HG LEU 84 -4.967 6.258 -1.729 652 1HD1 LEU 84 HD11 LEU 84 -6.502 5.995 0.126 653 2HD1 LEU 84 HD12 LEU 84 -6.467 4.535 -0.865 654 3HD1 LEU 84 HD13 LEU 84 -7.823 5.657 -0.992 655 1HD2 LEU 84 HD21 LEU 84 -7.350 5.759 -3.504 656 2HD2 LEU 84 HD22 LEU 84 -6.011 4.642 -3.236 657 3HD2 LEU 84 HD23 LEU 84 -5.725 6.190 -4.036 658 HA PRO 85 HA PRO 85 -8.171 11.915 -3.998 659 1HB PRO 85 HB2 PRO 85 -6.154 13.821 -2.961 660 2HB PRO 85 HB1 PRO 85 -7.911 13.847 -2.791 661 1HG PRO 85 HG2 PRO 85 -6.299 13.195 -0.752 662 2HG PRO 85 HG1 PRO 85 -7.891 12.447 -0.969 663 1HD PRO 85 HD2 PRO 85 -5.175 11.322 -1.484 664 2HD PRO 85 HD1 PRO 85 -6.663 10.510 -0.949 665 H ARG 86 HN ARG 86 -4.678 11.817 -3.999 666 HA ARG 86 HA ARG 86 -4.321 13.346 -6.386 667 1HB ARG 86 HB2 ARG 86 -2.540 13.292 -4.796 668 2HB ARG 86 HB1 ARG 86 -2.507 11.533 -4.792 669 1HG ARG 86 HG2 ARG 86 -1.699 11.552 -7.103 670 2HG ARG 86 HG1 ARG 86 -1.717 13.317 -7.087 671 1HD ARG 86 HD2 ARG 86 -0.011 13.417 -5.461 672 2HD ARG 86 HD1 ARG 86 -0.171 11.701 -5.084 673 HE ARG 86 HE ARG 86 0.541 11.965 -7.787 674 1HH1 ARG 86 HH11 ARG 86 1.906 12.567 -4.610 675 2HH1 ARG 86 HH12 ARG 86 3.534 12.179 -5.094 676 1HH2 ARG 86 HH21 ARG 86 2.692 11.468 -8.429 677 2HH2 ARG 86 HH22 ARG 86 3.983 11.582 -7.261 678 H ASN 87 HN ASN 87 -4.720 9.944 -5.652 679 HA ASN 87 HA ASN 87 -4.784 9.384 -8.544 680 1HB ASN 87 HB2 ASN 87 -3.658 7.558 -6.401 681 2HB ASN 87 HB1 ASN 87 -3.833 7.149 -8.103 682 1HD2 ASN 87 HD21 ASN 87 -2.087 9.036 -5.774 683 2HD2 ASN 87 HD22 ASN 87 -0.750 9.424 -6.800 684 HA PRO 88 HA PRO 88 -8.706 8.117 -6.481 685 1HB PRO 88 HB2 PRO 88 -10.058 9.325 -8.745 686 2HB PRO 88 HB1 PRO 88 -10.139 9.779 -7.043 687 1HG PRO 88 HG2 PRO 88 -8.970 11.328 -8.950 688 2HG PRO 88 HG1 PRO 88 -8.465 11.334 -7.249 689 1HD PRO 88 HD2 PRO 88 -7.226 9.929 -9.592 690 2HD PRO 88 HD1 PRO 88 -6.442 10.801 -8.258 691 H SER 89 HN SER 89 -7.438 6.120 -7.501 692 HA SER 89 HA SER 89 -9.251 5.042 -9.561 693 1HB SER 89 HB2 SER 89 -7.171 3.707 -10.321 694 2HB SER 89 HB1 SER 89 -7.269 5.410 -10.769 695 HG SER 89 HG SER 89 -5.602 4.140 -8.914 696 H TRP 90 HN TRP 90 -8.341 4.780 -6.440 697 HA TRP 90 HA TRP 90 -8.637 1.848 -6.433 698 1HB TRP 90 HB2 TRP 90 -7.170 3.397 -4.312 699 2HB TRP 90 HB1 TRP 90 -7.110 1.669 -4.639 700 HD1 TRP 90 HD1 TRP 90 -5.177 4.721 -5.200 701 HE1 TRP 90 HE1 TRP 90 -3.370 4.374 -6.992 702 HE3 TRP 90 HE3 TRP 90 -6.836 0.302 -7.169 703 HZ2 TRP 90 HZ2 TRP 90 -2.732 2.475 -8.985 704 HZ3 TRP 90 HZ3 TRP 90 -5.568 -0.709 -9.018 705 HH2 TRP 90 HH2 TRP 90 -3.560 0.355 -9.908 706 H LYS 91 HN LYS 91 -10.344 4.449 -5.969 707 HA LYS 91 HA LYS 91 -11.345 4.269 -3.346 708 1HB LYS 91 HB2 LYS 91 -12.622 5.376 -5.846 709 2HB LYS 91 HB1 LYS 91 -13.268 5.581 -4.223 710 1HG LYS 91 HG2 LYS 91 -11.131 6.688 -3.586 711 2HG LYS 91 HG1 LYS 91 -10.650 6.613 -5.281 712 1HD LYS 91 HD2 LYS 91 -12.448 8.041 -5.930 713 2HD LYS 91 HD1 LYS 91 -13.184 7.937 -4.328 714 1HE LYS 91 HE2 LYS 91 -11.178 9.044 -3.389 715 2HE LYS 91 HE1 LYS 91 -10.551 9.232 -5.025 716 1HZ LYS 91 HZ1 LYS 91 -12.327 10.673 -5.581 717 2HZ LYS 91 HZ2 LYS 91 -11.706 11.215 -4.094 718 3HZ LYS 91 HZ3 LYS 91 -13.157 10.336 -4.140 719 HA PRO 92 HA PRO 92 -14.775 1.360 -5.403 720 1HB PRO 92 HB2 PRO 92 -13.543 -0.379 -7.168 721 2HB PRO 92 HB1 PRO 92 -14.574 0.978 -7.626 722 1HG PRO 92 HG2 PRO 92 -11.593 0.823 -7.496 723 2HG PRO 92 HG1 PRO 92 -12.626 1.602 -8.711 724 1HD PRO 92 HD2 PRO 92 -11.392 3.046 -6.848 725 2HD PRO 92 HD1 PRO 92 -13.051 3.438 -7.346 726 H LEU 93 HN LEU 93 -11.574 0.902 -4.370 727 HA LEU 93 HA LEU 93 -12.010 -1.891 -3.632 728 1HB LEU 93 HB2 LEU 93 -9.548 -0.200 -3.227 729 2HB LEU 93 HB1 LEU 93 -9.664 -1.949 -3.140 730 HG LEU 93 HG LEU 93 -10.119 -0.342 -5.650 731 1HD1 LEU 93 HD11 LEU 93 -7.913 -1.150 -6.340 732 2HD1 LEU 93 HD12 LEU 93 -7.694 -1.917 -4.768 733 3HD1 LEU 93 HD13 LEU 93 -7.800 -0.160 -4.885 734 1HD2 LEU 93 HD21 LEU 93 -11.284 -2.477 -5.623 735 2HD2 LEU 93 HD22 LEU 93 -9.796 -3.307 -5.166 736 3HD2 LEU 93 HD23 LEU 93 -9.925 -2.536 -6.747 737 H ILE 94 HN ILE 94 -11.268 1.240 -2.183 738 HA ILE 94 HA ILE 94 -11.685 0.061 0.479 739 HB ILE 94 HB ILE 94 -10.334 1.811 1.396 740 1HG1 ILE 94 HG12 ILE 94 -9.886 3.012 -1.324 741 2HG1 ILE 94 HG11 ILE 94 -11.221 3.547 -0.306 742 1HG2 ILE 94 HG21 ILE 94 -8.194 1.478 0.229 743 2HG2 ILE 94 HG22 ILE 94 -9.067 0.751 -1.121 744 3HG2 ILE 94 HG23 ILE 94 -9.081 -0.027 0.461 745 1HD1 ILE 94 HD11 ILE 94 -8.310 3.595 0.443 746 2HD1 ILE 94 HD12 ILE 94 -9.651 4.141 1.451 747 3HD1 ILE 94 HD13 ILE 94 -9.280 4.981 -0.057 748 H HIS 95 HN HIS 95 -12.033 2.515 1.829 749 HA HIS 95 HA HIS 95 -14.673 3.327 1.433 750 1HB HIS 95 HB2 HIS 95 -12.293 4.729 2.657 751 2HB HIS 95 HB1 HIS 95 -13.921 5.409 2.697 752 HD1 HIS 95 HD1 HIS 95 -15.722 3.470 3.815 753 HD2 HIS 95 HD2 HIS 95 -11.707 3.414 4.911 754 HE1 HIS 95 HE1 HIS 95 -15.629 2.234 6.001 755 HE2 HIS 95 HE2 HIS 95 -13.238 2.443 6.759 756 H SER 96 HN SER 96 -12.278 5.899 1.042 757 HA SER 96 HA SER 96 -12.141 5.633 -1.821 758 1HB SER 96 HB2 SER 96 -13.522 8.037 -0.600 759 2HB SER 96 HB1 SER 96 -12.863 8.024 -2.234 760 HG SER 96 HG SER 96 -14.463 5.868 -1.740 761 H GLU 97 HN GLU 97 -11.748 8.253 0.540 762 HA GLU 97 HA GLU 97 -8.853 8.072 0.249 763 1HB GLU 97 HB2 GLU 97 -10.510 10.590 0.602 764 2HB GLU 97 HB1 GLU 97 -8.763 10.496 0.428 765 1HG GLU 97 HG2 GLU 97 -8.894 9.948 -1.835 766 2HG GLU 97 HG1 GLU 97 -10.602 9.524 -1.719 767 H VAL 98 HN VAL 98 -8.787 10.273 2.382 768 HA VAL 98 HA VAL 98 -9.788 8.592 4.569 769 HB VAL 98 HB VAL 98 -7.178 9.645 4.144 770 1HG1 VAL 98 HG11 VAL 98 -7.840 11.621 5.375 771 2HG1 VAL 98 HG12 VAL 98 -6.739 10.640 6.345 772 3HG1 VAL 98 HG13 VAL 98 -8.470 10.624 6.687 773 1HG2 VAL 98 HG21 VAL 98 -7.706 7.411 4.901 774 2HG2 VAL 98 HG22 VAL 98 -8.393 8.054 6.391 775 3HG2 VAL 98 HG23 VAL 98 -6.666 8.224 6.071 776 H PHE 99 HN PHE 99 -9.353 11.971 3.554 777 HA PHE 99 HA PHE 99 -10.763 12.853 5.939 778 1HB PHE 99 HB2 PHE 99 -10.057 15.097 5.319 779 2HB PHE 99 HB1 PHE 99 -8.686 13.994 5.276 780 HD1 PHE 99 HD1 PHE 99 -7.873 13.154 3.054 781 HD2 PHE 99 HD2 PHE 99 -10.693 16.322 3.421 782 HE1 PHE 99 HE1 PHE 99 -7.372 13.861 0.753 783 HE2 PHE 99 HE2 PHE 99 -10.196 17.030 1.118 784 HZ PHE 99 HZ PHE 99 -8.545 15.810 -0.217 785 H LYS 100 HN LYS 100 -11.830 11.786 3.047 786 HA LYS 100 HA LYS 100 -13.861 13.906 2.816 787 1HB LYS 100 HB2 LYS 100 -14.358 12.806 0.589 788 2HB LYS 100 HB1 LYS 100 -12.798 13.603 0.731 789 1HG LYS 100 HG2 LYS 100 -12.403 11.586 -0.397 790 2HG LYS 100 HG1 LYS 100 -11.819 11.345 1.249 791 1HD LYS 100 HD2 LYS 100 -12.976 9.377 0.704 792 2HD LYS 100 HD1 LYS 100 -14.082 10.291 1.748 793 1HE LYS 100 HE2 LYS 100 -14.147 10.281 -1.275 794 2HE LYS 100 HE1 LYS 100 -15.158 9.256 -0.262 795 1HZ LYS 100 HZ1 LYS 100 -16.057 11.354 0.724 796 2HZ LYS 100 HZ2 LYS 100 -16.440 11.116 -0.905 797 3HZ LYS 100 HZ3 LYS 100 -15.228 12.218 -0.477 798 H SER 101 HN SER 101 -13.335 10.629 3.588 799 HA SER 101 HA SER 101 -14.623 8.910 4.264 800 1HB SER 101 HB2 SER 101 -16.103 9.533 6.124 801 2HB SER 101 HB1 SER 101 -14.537 10.341 6.158 802 HG SER 101 HG SER 101 -16.737 11.607 4.955 803 H SER 102 HN SER 102 -15.596 8.005 2.516 804 HA SER 102 HA SER 102 -18.110 8.908 1.492 805 1HB SER 102 HB2 SER 102 -16.832 6.172 1.211 806 2HB SER 102 HB1 SER 102 -18.070 6.880 0.166 807 HG SER 102 HG SER 102 -16.161 7.222 -0.862 808 H ILE 103 HN ILE 103 -17.313 5.810 3.032 809 HA ILE 103 HA ILE 103 -19.099 6.199 5.197 810 HB ILE 103 HB ILE 103 -20.853 5.681 3.640 811 1HG1 ILE 103 HG12 ILE 103 -20.227 3.214 5.273 812 2HG1 ILE 103 HG11 ILE 103 -20.981 4.679 5.894 813 1HG2 ILE 103 HG21 ILE 103 -19.569 4.629 1.875 814 2HG2 ILE 103 HG22 ILE 103 -20.924 3.602 2.344 815 3HG2 ILE 103 HG23 ILE 103 -19.292 3.215 2.892 816 1HD1 ILE 103 HD11 ILE 103 -22.615 2.934 5.475 817 2HD1 ILE 103 HD12 ILE 103 -22.128 2.875 3.782 818 3HD1 ILE 103 HD13 ILE 103 -22.890 4.328 4.429 Start of MODEL 5 1 1H MET 1 HT1 MET 1 14.521 8.021 -14.246 2 2H MET 1 HT2 MET 1 15.867 9.046 -14.334 3 3H MET 1 HT3 MET 1 14.653 9.142 -15.514 4 HA MET 1 HA MET 1 14.443 10.970 -13.983 5 1HB MET 1 HB2 MET 1 12.424 9.907 -14.978 6 2HB MET 1 HB1 MET 1 12.310 8.856 -13.576 7 1HG MET 1 HG2 MET 1 10.714 10.667 -13.437 8 2HG MET 1 HG1 MET 1 11.907 10.785 -12.146 9 1HE MET 1 HE1 MET 1 11.954 13.440 -15.923 10 2HE MET 1 HE2 MET 1 10.731 12.208 -15.615 11 3HE MET 1 HE3 MET 1 12.399 11.734 -15.933 12 H ALA 2 HN ALA 2 13.845 11.613 -11.726 13 HA ALA 2 HA ALA 2 15.394 10.249 -9.775 14 1HB ALA 2 HB1 ALA 2 14.491 11.848 -8.190 15 2HB ALA 2 HB2 ALA 2 13.240 12.320 -9.340 16 3HB ALA 2 HB3 ALA 2 14.935 12.671 -9.685 17 H THR 3 HN THR 3 11.931 10.470 -10.412 18 HA THR 3 HA THR 3 11.304 8.521 -8.368 19 HB THR 3 HB THR 3 8.955 8.843 -9.534 20 HG1 THR 3 HG1 THR 3 8.873 10.440 -10.941 21 1HG2 THR 3 HG21 THR 3 10.294 10.991 -7.887 22 2HG2 THR 3 HG22 THR 3 9.485 9.555 -7.260 23 3HG2 THR 3 HG23 THR 3 8.554 10.799 -8.096 24 H GLU 4 HN GLU 4 12.659 6.870 -9.403 25 HA GLU 4 HA GLU 4 11.743 5.694 -11.875 26 1HB GLU 4 HB2 GLU 4 13.787 4.797 -9.835 27 2HB GLU 4 HB1 GLU 4 13.441 3.927 -11.322 28 1HG GLU 4 HG2 GLU 4 14.430 6.764 -11.190 29 2HG GLU 4 HG1 GLU 4 15.455 5.352 -11.435 30 HA PRO 5 HA PRO 5 8.851 2.775 -10.108 31 1HB PRO 5 HB2 PRO 5 9.750 0.932 -12.234 32 2HB PRO 5 HB1 PRO 5 8.135 1.574 -11.916 33 1HG PRO 5 HG2 PRO 5 9.586 2.403 -14.015 34 2HG PRO 5 HG1 PRO 5 8.519 3.503 -13.124 35 1HD PRO 5 HD2 PRO 5 11.495 3.216 -12.978 36 2HD PRO 5 HD1 PRO 5 10.502 4.689 -12.947 37 HA PRO 6 HA PRO 6 12.128 0.782 -7.772 38 1HB PRO 6 HB2 PRO 6 9.993 0.067 -5.901 39 2HB PRO 6 HB1 PRO 6 11.385 1.124 -5.656 40 1HG PRO 6 HG2 PRO 6 8.865 2.072 -5.804 41 2HG PRO 6 HG1 PRO 6 10.264 2.992 -6.388 42 1HD PRO 6 HD2 PRO 6 8.270 1.386 -7.943 43 2HD PRO 6 HD1 PRO 6 8.976 2.976 -8.316 44 H LYS 7 HN LYS 7 12.362 -1.384 -6.620 45 HA LYS 7 HA LYS 7 11.075 -3.454 -8.274 46 1HB LYS 7 HB2 LYS 7 13.673 -3.691 -6.741 47 2HB LYS 7 HB1 LYS 7 13.008 -4.860 -7.860 48 1HG LYS 7 HG2 LYS 7 13.835 -2.104 -8.711 49 2HG LYS 7 HG1 LYS 7 14.952 -3.465 -8.667 50 1HD LYS 7 HD2 LYS 7 14.229 -3.450 -10.872 51 2HD LYS 7 HD1 LYS 7 13.196 -4.668 -10.122 52 1HE LYS 7 HE2 LYS 7 11.407 -3.026 -9.902 53 2HE LYS 7 HE1 LYS 7 12.444 -1.789 -10.609 54 1HZ LYS 7 HZ1 LYS 7 11.426 -4.232 -11.952 55 2HZ LYS 7 HZ2 LYS 7 12.547 -3.159 -12.639 56 3HZ LYS 7 HZ3 LYS 7 10.978 -2.626 -12.273 57 H ILE 8 HN ILE 8 9.274 -3.705 -6.968 58 HA ILE 8 HA ILE 8 9.747 -3.928 -4.112 59 HB ILE 8 HB ILE 8 7.070 -3.916 -5.512 60 1HG1 ILE 8 HG12 ILE 8 8.429 -1.865 -6.013 61 2HG1 ILE 8 HG11 ILE 8 6.965 -1.529 -5.091 62 1HG2 ILE 8 HG21 ILE 8 6.265 -3.196 -3.300 63 2HG2 ILE 8 HG22 ILE 8 7.908 -3.351 -2.669 64 3HG2 ILE 8 HG23 ILE 8 7.042 -4.779 -3.240 65 1HD1 ILE 8 HD11 ILE 8 8.325 -1.429 -3.040 66 2HD1 ILE 8 HD12 ILE 8 8.804 -0.229 -4.240 67 3HD1 ILE 8 HD13 ILE 8 9.773 -1.687 -4.016 68 H VAL 9 HN VAL 9 9.896 -5.782 -3.132 69 HA VAL 9 HA VAL 9 9.304 -8.232 -4.625 70 HB VAL 9 HB VAL 9 10.805 -7.900 -2.025 71 1HG1 VAL 9 HG11 VAL 9 9.927 -10.143 -2.358 72 2HG1 VAL 9 HG12 VAL 9 11.684 -10.132 -2.523 73 3HG1 VAL 9 HG13 VAL 9 10.663 -10.209 -3.960 74 1HG2 VAL 9 HG21 VAL 9 11.889 -6.677 -3.818 75 2HG2 VAL 9 HG22 VAL 9 11.865 -8.123 -4.828 76 3HG2 VAL 9 HG23 VAL 9 12.835 -8.092 -3.355 77 H TRP 10 HN TRP 10 7.637 -9.483 -4.096 78 HA TRP 10 HA TRP 10 6.009 -8.727 -1.836 79 1HB TRP 10 HB2 TRP 10 4.900 -9.242 -3.930 80 2HB TRP 10 HB1 TRP 10 5.627 -10.847 -3.952 81 HD1 TRP 10 HD1 TRP 10 4.054 -9.336 -0.792 82 HE1 TRP 10 HE1 TRP 10 2.018 -10.752 -0.120 83 HE3 TRP 10 HE3 TRP 10 3.884 -12.447 -4.845 84 HZ2 TRP 10 HZ2 TRP 10 0.530 -12.907 -1.183 85 HZ3 TRP 10 HZ3 TRP 10 2.120 -14.156 -4.942 86 HH2 TRP 10 HH2 TRP 10 0.479 -14.382 -3.149 87 H ASN 11 HN ASN 11 6.302 -9.516 0.089 88 HA ASN 11 HA ASN 11 7.645 -12.107 0.412 89 1HB ASN 11 HB2 ASN 11 8.453 -9.966 1.607 90 2HB ASN 11 HB1 ASN 11 7.022 -10.154 2.616 91 1HD2 ASN 11 HD21 ASN 11 9.867 -10.311 3.256 92 2HD2 ASN 11 HD22 ASN 11 10.103 -11.856 4.005 93 H GLU 12 HN GLU 12 5.855 -13.435 -0.036 94 HA GLU 12 HA GLU 12 3.275 -12.927 1.042 95 1HB GLU 12 HB2 GLU 12 2.669 -15.124 0.172 96 2HB GLU 12 HB1 GLU 12 3.554 -14.189 -1.021 97 1HG GLU 12 HG2 GLU 12 5.567 -15.463 -0.557 98 2HG GLU 12 HG1 GLU 12 4.714 -16.375 0.690 99 H GLY 13 HN GLY 13 6.073 -14.552 2.232 100 1HA GLY 13 HA2 GLY 13 4.805 -16.114 4.238 101 2HA GLY 13 HA1 GLY 13 6.494 -15.623 4.224 102 H LYS 14 HN LYS 14 5.362 -12.760 3.939 103 HA LYS 14 HA LYS 14 4.764 -12.384 6.804 104 1HB LYS 14 HB2 LYS 14 6.016 -10.353 4.952 105 2HB LYS 14 HB1 LYS 14 5.831 -10.229 6.692 106 1HG LYS 14 HG2 LYS 14 7.613 -12.159 5.231 107 2HG LYS 14 HG1 LYS 14 8.125 -10.704 6.086 108 1HD LYS 14 HD2 LYS 14 7.296 -11.645 8.180 109 2HD LYS 14 HD1 LYS 14 6.773 -13.097 7.322 110 1HE LYS 14 HE2 LYS 14 9.123 -13.477 6.634 111 2HE LYS 14 HE1 LYS 14 9.596 -12.088 7.608 112 1HZ LYS 14 HZ1 LYS 14 8.275 -14.535 8.658 113 2HZ LYS 14 HZ2 LYS 14 8.759 -13.194 9.572 114 3HZ LYS 14 HZ3 LYS 14 9.922 -14.161 8.811 115 H ARG 15 HN ARG 15 3.442 -12.343 3.792 116 HA ARG 15 HA ARG 15 1.744 -11.286 2.709 117 1HB ARG 15 HB2 ARG 15 0.917 -10.771 5.568 118 2HB ARG 15 HB1 ARG 15 -0.084 -10.347 4.189 119 1HG ARG 15 HG2 ARG 15 -0.214 -12.677 3.536 120 2HG ARG 15 HG1 ARG 15 0.849 -13.123 4.872 121 1HD ARG 15 HD2 ARG 15 -0.767 -12.454 6.485 122 2HD ARG 15 HD1 ARG 15 -1.776 -11.702 5.249 123 HE ARG 15 HE ARG 15 -2.211 -13.965 4.403 124 1HH1 ARG 15 HH11 ARG 15 -0.946 -13.643 7.654 125 2HH1 ARG 15 HH12 ARG 15 -1.630 -15.144 8.199 126 1HH2 ARG 15 HH21 ARG 15 -3.147 -15.902 5.128 127 2HH2 ARG 15 HH22 ARG 15 -2.891 -16.426 6.770 128 H ARG 16 HN ARG 16 3.885 -9.829 2.438 129 HA ARG 16 HA ARG 16 2.945 -7.102 2.671 130 1HB ARG 16 HB2 ARG 16 4.628 -6.280 4.065 131 2HB ARG 16 HB1 ARG 16 4.152 -7.794 4.815 132 1HG ARG 16 HG2 ARG 16 6.089 -8.909 3.925 133 2HG ARG 16 HG1 ARG 16 6.555 -7.451 3.046 134 1HD ARG 16 HD2 ARG 16 6.773 -6.258 5.190 135 2HD ARG 16 HD1 ARG 16 6.373 -7.750 6.042 136 HE ARG 16 HE ARG 16 8.621 -7.978 4.244 137 1HH1 ARG 16 HH11 ARG 16 7.643 -7.126 7.505 138 2HH1 ARG 16 HH12 ARG 16 9.202 -7.450 8.189 139 1HH2 ARG 16 HH21 ARG 16 10.649 -8.395 5.126 140 2HH2 ARG 16 HH22 ARG 16 10.924 -8.178 6.833 141 H PHE 17 HN PHE 17 4.306 -5.572 1.521 142 HA PHE 17 HA PHE 17 5.973 -6.864 -0.539 143 1HB PHE 17 HB2 PHE 17 4.714 -4.119 -0.706 144 2HB PHE 17 HB1 PHE 17 5.523 -5.000 -1.996 145 HD1 PHE 17 HD1 PHE 17 2.424 -4.260 -0.422 146 HD2 PHE 17 HD2 PHE 17 4.441 -7.178 -2.773 147 HE1 PHE 17 HE1 PHE 17 0.256 -5.189 -1.128 148 HE2 PHE 17 HE2 PHE 17 2.280 -8.104 -3.490 149 HZ PHE 17 HZ PHE 17 0.185 -7.111 -2.669 150 H GLU 18 HN GLU 18 8.040 -6.175 -0.803 151 HA GLU 18 HA GLU 18 9.030 -4.126 1.071 152 1HB GLU 18 HB2 GLU 18 9.842 -6.902 0.593 153 2HB GLU 18 HB1 GLU 18 11.174 -5.761 0.678 154 1HG GLU 18 HG2 GLU 18 10.497 -5.076 2.871 155 2HG GLU 18 HG1 GLU 18 9.030 -6.051 2.771 156 H THR 19 HN THR 19 10.200 -2.534 0.210 157 HA THR 19 HA THR 19 10.659 -2.373 -2.590 158 HB THR 19 HB THR 19 10.442 -0.381 -1.078 159 HG1 THR 19 HG1 THR 19 11.361 0.124 -3.012 160 1HG2 THR 19 HG21 THR 19 11.747 -1.158 0.802 161 2HG2 THR 19 HG22 THR 19 12.433 0.344 0.181 162 3HG2 THR 19 HG23 THR 19 13.204 -1.200 -0.189 163 H GLU 20 HN GLU 20 12.917 -2.008 -3.473 164 HA GLU 20 HA GLU 20 14.471 -4.347 -3.114 165 1HB GLU 20 HB2 GLU 20 15.982 -3.296 -4.745 166 2HB GLU 20 HB1 GLU 20 14.302 -3.179 -5.242 167 1HG GLU 20 HG2 GLU 20 14.303 -0.862 -4.242 168 2HG GLU 20 HG1 GLU 20 16.057 -1.017 -4.144 169 H ASP 21 HN ASP 21 14.162 -1.823 -1.188 170 HA ASP 21 HA ASP 21 16.958 -1.699 -0.321 171 1HB ASP 21 HB2 ASP 21 16.226 0.457 -0.808 172 2HB ASP 21 HB1 ASP 21 14.613 0.156 -0.192 173 H HIS 22 HN HIS 22 13.826 -2.757 0.497 174 HA HIS 22 HA HIS 22 13.039 -4.153 2.060 175 1HB HIS 22 HB2 HIS 22 15.975 -4.578 2.468 176 2HB HIS 22 HB1 HIS 22 14.782 -5.410 3.465 177 HD1 HIS 22 HD1 HIS 22 13.303 -7.194 2.329 178 HD2 HIS 22 HD2 HIS 22 16.108 -5.440 -0.208 179 HE1 HIS 22 HE1 HIS 22 13.373 -8.650 0.275 180 HE2 HIS 22 HE2 HIS 22 15.194 -7.673 -1.166 181 H GLU 23 HN GLU 23 14.664 -1.363 3.017 182 HA GLU 23 HA GLU 23 13.941 -1.646 5.806 183 1HB GLU 23 HB2 GLU 23 14.693 0.889 4.350 184 2HB GLU 23 HB1 GLU 23 14.727 0.604 6.083 185 1HG GLU 23 HG2 GLU 23 16.461 -1.224 5.504 186 2HG GLU 23 HG1 GLU 23 16.612 -0.358 3.965 187 H ALA 24 HN ALA 24 12.553 -0.642 2.867 188 HA ALA 24 HA ALA 24 10.233 0.509 4.249 189 1HB ALA 24 HB1 ALA 24 11.026 0.751 1.351 190 2HB ALA 24 HB2 ALA 24 11.265 1.985 2.587 191 3HB ALA 24 HB3 ALA 24 9.632 1.517 2.112 192 H PHE 25 HN PHE 25 8.402 -0.579 4.276 193 HA PHE 25 HA PHE 25 7.751 -2.538 2.247 194 1HB PHE 25 HB2 PHE 25 7.325 -4.321 3.945 195 2HB PHE 25 HB1 PHE 25 9.032 -3.976 3.680 196 HD1 PHE 25 HD1 PHE 25 6.263 -3.882 6.040 197 HD2 PHE 25 HD2 PHE 25 10.344 -2.843 5.413 198 HE1 PHE 25 HE1 PHE 25 6.542 -3.530 8.458 199 HE2 PHE 25 HE2 PHE 25 10.631 -2.504 7.832 200 HZ PHE 25 HZ PHE 25 8.740 -2.894 9.362 201 H ILE 26 HN ILE 26 5.551 -3.349 2.509 202 HA ILE 26 HA ILE 26 3.945 -1.861 4.462 203 HB ILE 26 HB ILE 26 3.783 -1.436 1.711 204 1HG1 ILE 26 HG12 ILE 26 1.902 -0.864 3.994 205 2HG1 ILE 26 HG11 ILE 26 3.188 0.159 3.362 206 1HG2 ILE 26 HG21 ILE 26 1.523 -2.151 1.079 207 2HG2 ILE 26 HG22 ILE 26 1.386 -3.059 2.585 208 3HG2 ILE 26 HG23 ILE 26 2.576 -3.536 1.375 209 1HD1 ILE 26 HD11 ILE 26 0.646 -0.574 1.929 210 2HD1 ILE 26 HD12 ILE 26 1.932 0.453 1.291 211 3HD1 ILE 26 HD13 ILE 26 1.004 0.973 2.698 212 H GLU 27 HN GLU 27 2.563 -3.068 5.610 213 HA GLU 27 HA GLU 27 2.536 -5.944 5.034 214 1HB GLU 27 HB2 GLU 27 3.225 -5.202 7.302 215 2HB GLU 27 HB1 GLU 27 1.660 -4.429 7.520 216 1HG GLU 27 HG2 GLU 27 0.602 -6.674 7.267 217 2HG GLU 27 HG1 GLU 27 2.217 -7.377 7.237 218 H TYR 28 HN TYR 28 0.533 -7.093 4.945 219 HA TYR 28 HA TYR 28 -1.912 -5.557 5.173 220 1HB TYR 28 HB2 TYR 28 -2.749 -6.007 2.960 221 2HB TYR 28 HB1 TYR 28 -1.163 -5.274 2.766 222 HD1 TYR 28 HD1 TYR 28 -2.987 -8.502 2.655 223 HD2 TYR 28 HD2 TYR 28 0.577 -6.407 1.641 224 HE1 TYR 28 HE1 TYR 28 -2.286 -10.379 1.231 225 HE2 TYR 28 HE2 TYR 28 1.283 -8.278 0.218 226 HH TYR 28 HH TYR 28 0.875 -10.409 -0.361 227 H LYS 29 HN LYS 29 -3.815 -6.969 4.963 228 HA LYS 29 HA LYS 29 -3.364 -9.803 5.086 229 1HB LYS 29 HB2 LYS 29 -4.457 -10.089 7.297 230 2HB LYS 29 HB1 LYS 29 -2.896 -9.303 7.388 231 1HG LYS 29 HG2 LYS 29 -5.491 -7.795 7.441 232 2HG LYS 29 HG1 LYS 29 -4.695 -8.393 8.894 233 1HD LYS 29 HD2 LYS 29 -3.686 -6.342 6.932 234 2HD LYS 29 HD1 LYS 29 -4.108 -6.098 8.625 235 1HE LYS 29 HE2 LYS 29 -1.813 -7.777 7.609 236 2HE LYS 29 HE1 LYS 29 -1.678 -6.141 8.246 237 1HZ LYS 29 HZ1 LYS 29 -1.110 -7.502 10.010 238 2HZ LYS 29 HZ2 LYS 29 -2.337 -8.626 9.690 239 3HZ LYS 29 HZ3 LYS 29 -2.731 -7.107 10.339 240 H MET 30 HN MET 30 -5.008 -10.835 4.208 241 HA MET 30 HA MET 30 -7.266 -9.305 3.268 242 1HB MET 30 HB2 MET 30 -6.780 -12.290 3.049 243 2HB MET 30 HB1 MET 30 -7.908 -11.333 2.104 244 1HG MET 30 HG2 MET 30 -6.063 -10.153 1.058 245 2HG MET 30 HG1 MET 30 -4.915 -11.081 2.022 246 1HE MET 30 HE1 MET 30 -3.609 -11.843 -0.187 247 2HE MET 30 HE2 MET 30 -4.732 -10.869 -1.138 248 3HE MET 30 HE3 MET 30 -4.415 -12.545 -1.589 249 H ARG 31 HN ARG 31 -8.915 -8.923 4.520 250 HA ARG 31 HA ARG 31 -9.478 -10.628 6.818 251 1HB ARG 31 HB2 ARG 31 -10.427 -7.884 6.002 252 2HB ARG 31 HB1 ARG 31 -11.065 -8.742 7.398 253 1HG ARG 31 HG2 ARG 31 -8.949 -8.703 8.487 254 2HG ARG 31 HG1 ARG 31 -8.148 -8.105 7.033 255 1HD ARG 31 HD2 ARG 31 -8.535 -6.350 8.738 256 2HD ARG 31 HD1 ARG 31 -9.299 -6.007 7.188 257 HE ARG 31 HE ARG 31 -11.117 -7.325 8.924 258 1HH1 ARG 31 HH11 ARG 31 -9.587 -4.192 8.376 259 2HH1 ARG 31 HH12 ARG 31 -10.896 -3.309 9.114 260 1HH2 ARG 31 HH21 ARG 31 -12.816 -6.145 9.843 261 2HH2 ARG 31 HH22 ARG 31 -12.718 -4.412 9.954 262 H ASN 32 HN ASN 32 -11.831 -10.913 7.348 263 HA ASN 32 HA ASN 32 -13.811 -11.935 6.882 264 1HB ASN 32 HB2 ASN 32 -14.107 -9.639 5.718 265 2HB ASN 32 HB1 ASN 32 -13.803 -10.510 4.223 266 1HD2 ASN 32 HD21 ASN 32 -16.175 -9.124 4.877 267 2HD2 ASN 32 HD22 ASN 32 -17.464 -10.280 4.921 268 H ASN 33 HN ASN 33 -11.731 -13.507 6.500 269 HA ASN 33 HA ASN 33 -11.133 -15.506 5.602 270 1HB ASN 33 HB2 ASN 33 -13.460 -16.045 5.218 271 2HB ASN 33 HB1 ASN 33 -13.491 -15.066 3.757 272 1HD2 ASN 33 HD21 ASN 33 -12.657 -15.886 1.869 273 2HD2 ASN 33 HD22 ASN 33 -12.154 -17.534 1.691 274 H GLY 34 HN GLY 34 -11.364 -12.662 3.727 275 1HA GLY 34 HA2 GLY 34 -9.158 -12.294 2.515 276 2HA GLY 34 HA1 GLY 34 -9.577 -13.774 1.667 277 H LYS 35 HN LYS 35 -11.825 -11.233 2.617 278 HA LYS 35 HA LYS 35 -12.402 -10.809 -0.238 279 1HB LYS 35 HB2 LYS 35 -14.128 -10.343 2.202 280 2HB LYS 35 HB1 LYS 35 -14.600 -9.937 0.557 281 1HG LYS 35 HG2 LYS 35 -13.952 -12.703 1.552 282 2HG LYS 35 HG1 LYS 35 -15.576 -12.048 1.322 283 1HD LYS 35 HD2 LYS 35 -15.185 -11.806 -1.051 284 2HD LYS 35 HD1 LYS 35 -13.506 -12.316 -0.857 285 1HE LYS 35 HE2 LYS 35 -14.883 -14.135 -1.711 286 2HE LYS 35 HE1 LYS 35 -14.251 -14.512 -0.109 287 1HZ LYS 35 HZ1 LYS 35 -16.563 -15.137 -0.298 288 2HZ LYS 35 HZ2 LYS 35 -17.000 -13.554 -0.718 289 3HZ LYS 35 HZ3 LYS 35 -16.400 -13.884 0.832 290 H VAL 36 HN VAL 36 -11.217 -9.333 2.612 291 HA VAL 36 HA VAL 36 -11.200 -6.730 1.247 292 HB VAL 36 HB VAL 36 -11.786 -7.297 4.151 293 1HG1 VAL 36 HG11 VAL 36 -11.108 -4.624 2.914 294 2HG1 VAL 36 HG12 VAL 36 -10.096 -5.516 4.050 295 3HG1 VAL 36 HG13 VAL 36 -11.661 -4.889 4.567 296 1HG2 VAL 36 HG21 VAL 36 -13.698 -7.301 2.672 297 2HG2 VAL 36 HG22 VAL 36 -13.223 -5.738 2.009 298 3HG2 VAL 36 HG23 VAL 36 -13.738 -5.862 3.691 299 H MET 37 HN MET 37 -9.248 -5.982 0.896 300 HA MET 37 HA MET 37 -6.935 -7.208 2.152 301 1HB MET 37 HB2 MET 37 -7.281 -6.352 -0.354 302 2HB MET 37 HB1 MET 37 -6.779 -4.837 0.374 303 1HG MET 37 HG2 MET 37 -4.856 -5.860 -0.567 304 2HG MET 37 HG1 MET 37 -4.720 -5.907 1.189 305 1HE MET 37 HE1 MET 37 -5.775 -9.534 -1.453 306 2HE MET 37 HE2 MET 37 -5.355 -7.942 -2.083 307 3HE MET 37 HE3 MET 37 -6.868 -8.171 -1.205 308 H ASP 38 HN ASP 38 -6.486 -6.475 4.120 309 HA ASP 38 HA ASP 38 -6.943 -3.657 4.740 310 1HB ASP 38 HB2 ASP 38 -7.627 -5.679 6.214 311 2HB ASP 38 HB1 ASP 38 -5.926 -5.727 6.676 312 H LEU 39 HN LEU 39 -5.377 -2.381 4.154 313 HA LEU 39 HA LEU 39 -2.640 -3.334 3.951 314 1HB LEU 39 HB2 LEU 39 -4.024 -0.782 3.140 315 2HB LEU 39 HB1 LEU 39 -2.275 -0.900 3.146 316 HG LEU 39 HG LEU 39 -2.272 -2.515 1.418 317 1HD1 LEU 39 HD11 LEU 39 -4.171 -3.867 2.149 318 2HD1 LEU 39 HD12 LEU 39 -4.276 -3.462 0.436 319 3HD1 LEU 39 HD13 LEU 39 -5.274 -2.601 1.610 320 1HD2 LEU 39 HD21 LEU 39 -2.586 -0.190 0.737 321 2HD2 LEU 39 HD22 LEU 39 -4.335 -0.415 0.785 322 3HD2 LEU 39 HD23 LEU 39 -3.362 -1.308 -0.385 323 H VAL 40 HN VAL 40 -1.446 -3.324 5.704 324 HA VAL 40 HA VAL 40 -2.023 -1.294 7.754 325 HB VAL 40 HB VAL 40 -1.266 -4.198 8.023 326 1HG1 VAL 40 HG11 VAL 40 -1.219 -2.109 10.196 327 2HG1 VAL 40 HG12 VAL 40 0.179 -2.955 9.533 328 3HG1 VAL 40 HG13 VAL 40 -1.047 -3.848 10.431 329 1HG2 VAL 40 HG21 VAL 40 -3.250 -4.262 9.453 330 2HG2 VAL 40 HG22 VAL 40 -3.632 -3.694 7.828 331 3HG2 VAL 40 HG23 VAL 40 -3.511 -2.543 9.159 332 H HIS 41 HN HIS 41 -0.428 0.156 7.810 333 HA HIS 41 HA HIS 41 1.566 0.919 8.570 334 1HB HIS 41 HB2 HIS 41 1.747 -1.127 9.928 335 2HB HIS 41 HB1 HIS 41 2.423 -1.979 8.556 336 HD1 HIS 41 HD1 HIS 41 4.402 -2.460 10.295 337 HD2 HIS 41 HD2 HIS 41 4.041 1.468 8.965 338 HE1 HIS 41 HE1 HIS 41 6.582 -1.345 10.865 339 HE2 HIS 41 HE2 HIS 41 6.224 1.081 10.301 340 H THR 42 HN THR 42 1.872 2.056 6.688 341 HA THR 42 HA THR 42 3.697 0.947 4.719 342 HB THR 42 HB THR 42 2.065 2.649 3.959 343 HG1 THR 42 HG1 THR 42 3.573 3.146 2.597 344 1HG2 THR 42 HG21 THR 42 1.807 3.968 5.960 345 2HG2 THR 42 HG22 THR 42 2.394 5.015 4.668 346 3HG2 THR 42 HG23 THR 42 3.507 4.444 5.916 347 H TYR 43 HN TYR 43 5.856 0.916 5.039 348 HA TYR 43 HA TYR 43 6.928 2.974 6.830 349 1HB TYR 43 HB2 TYR 43 6.877 0.518 7.729 350 2HB TYR 43 HB1 TYR 43 8.275 0.305 6.671 351 HD1 TYR 43 HD1 TYR 43 7.061 2.887 9.113 352 HD2 TYR 43 HD2 TYR 43 10.295 0.546 7.660 353 HE1 TYR 43 HE1 TYR 43 8.535 3.857 10.831 354 HE2 TYR 43 HE2 TYR 43 11.770 1.495 9.357 355 HH TYR 43 HH TYR 43 11.877 3.603 10.717 356 H VAL 44 HN VAL 44 8.794 3.939 6.241 357 HA VAL 44 HA VAL 44 10.331 3.041 3.990 358 HB VAL 44 HB VAL 44 8.327 4.025 2.905 359 1HG1 VAL 44 HG11 VAL 44 7.745 5.718 4.534 360 2HG1 VAL 44 HG12 VAL 44 7.979 6.446 2.943 361 3HG1 VAL 44 HG13 VAL 44 9.231 6.601 4.176 362 1HG2 VAL 44 HG21 VAL 44 9.536 5.472 1.345 363 2HG2 VAL 44 HG22 VAL 44 10.429 4.000 1.731 364 3HG2 VAL 44 HG23 VAL 44 10.891 5.533 2.473 365 HA PRO 45 HA PRO 45 13.187 5.385 6.481 366 1HB PRO 45 HB2 PRO 45 15.099 5.085 4.297 367 2HB PRO 45 HB1 PRO 45 15.135 4.394 5.920 368 1HG PRO 45 HG2 PRO 45 14.702 2.905 3.710 369 2HG PRO 45 HG1 PRO 45 14.002 2.510 5.290 370 1HD PRO 45 HD2 PRO 45 12.725 3.821 2.923 371 2HD PRO 45 HD1 PRO 45 12.062 2.611 4.044 372 H SER 46 HN SER 46 14.875 7.132 6.115 373 HA SER 46 HA SER 46 13.600 9.471 5.421 374 1HB SER 46 HB2 SER 46 16.592 9.199 5.328 375 2HB SER 46 HB1 SER 46 15.619 10.540 5.939 376 HG SER 46 HG SER 46 16.651 8.858 7.453 377 H PHE 47 HN PHE 47 15.775 7.502 3.464 378 HA PHE 47 HA PHE 47 16.276 9.333 1.410 379 1HB PHE 47 HB2 PHE 47 17.574 7.272 1.730 380 2HB PHE 47 HB1 PHE 47 16.169 6.311 1.282 381 HD1 PHE 47 HD1 PHE 47 16.118 5.501 -0.858 382 HD2 PHE 47 HD2 PHE 47 18.182 9.141 -0.101 383 HE1 PHE 47 HE1 PHE 47 16.792 5.606 -3.222 384 HE2 PHE 47 HE2 PHE 47 18.859 9.253 -2.461 385 HZ PHE 47 HZ PHE 47 18.163 7.485 -4.027 386 H LYS 48 HN LYS 48 13.480 7.328 2.018 387 HA LYS 48 HA LYS 48 12.475 8.006 -0.664 388 1HB LYS 48 HB2 LYS 48 12.129 5.388 0.800 389 2HB LYS 48 HB1 LYS 48 11.368 5.802 -0.730 390 1HG LYS 48 HG2 LYS 48 13.503 5.931 -1.821 391 2HG LYS 48 HG1 LYS 48 14.341 5.684 -0.289 392 1HD LYS 48 HD2 LYS 48 12.447 3.691 -1.524 393 2HD LYS 48 HD1 LYS 48 14.197 3.649 -1.728 394 1HE LYS 48 HE2 LYS 48 12.737 3.493 0.907 395 2HE LYS 48 HE1 LYS 48 13.418 2.121 0.037 396 1HZ LYS 48 HZ1 LYS 48 14.887 4.367 1.296 397 2HZ LYS 48 HZ2 LYS 48 15.620 3.293 0.217 398 3HZ LYS 48 HZ3 LYS 48 14.983 2.719 1.680 399 H ARG 49 HN ARG 49 11.978 8.602 2.503 400 HA ARG 49 HA ARG 49 9.180 8.139 2.749 401 1HB ARG 49 HB2 ARG 49 9.283 9.661 4.692 402 2HB ARG 49 HB1 ARG 49 10.471 8.366 4.769 403 1HG ARG 49 HG2 ARG 49 12.193 9.955 3.992 404 2HG ARG 49 HG1 ARG 49 10.975 11.237 4.015 405 1HD ARG 49 HD2 ARG 49 10.623 10.808 6.425 406 2HD ARG 49 HD1 ARG 49 11.910 9.606 6.377 407 HE ARG 49 HE ARG 49 12.608 12.299 5.497 408 1HH1 ARG 49 HH11 ARG 49 12.668 9.892 8.055 409 2HH1 ARG 49 HH12 ARG 49 13.896 10.713 8.971 410 1HH2 ARG 49 HH21 ARG 49 14.207 13.390 6.729 411 2HH2 ARG 49 HH22 ARG 49 14.766 12.692 8.215 412 H GLY 50 HN GLY 50 11.087 10.648 1.358 413 1HA GLY 50 HA2 GLY 50 8.603 12.133 0.825 414 2HA GLY 50 HA1 GLY 50 10.197 12.880 0.877 415 H LEU 51 HN LEU 51 9.442 9.800 -0.624 416 HA LEU 51 HA LEU 51 10.286 10.961 -3.201 417 1HB LEU 51 HB2 LEU 51 11.903 9.387 -2.148 418 2HB LEU 51 HB1 LEU 51 10.674 8.137 -2.222 419 HG LEU 51 HG LEU 51 10.678 8.317 -4.697 420 1HD1 LEU 51 HD11 LEU 51 13.020 10.161 -4.248 421 2HD1 LEU 51 HD12 LEU 51 11.447 10.619 -4.901 422 3HD1 LEU 51 HD13 LEU 51 12.491 9.521 -5.803 423 1HD2 LEU 51 HD21 LEU 51 12.826 7.198 -5.031 424 2HD2 LEU 51 HD22 LEU 51 12.014 6.614 -3.578 425 3HD2 LEU 51 HD23 LEU 51 13.360 7.744 -3.442 426 H GLY 52 HN GLY 52 7.899 9.039 -1.542 427 1HA GLY 52 HA2 GLY 52 5.732 8.862 -2.729 428 2HA GLY 52 HA1 GLY 52 6.665 8.465 -4.165 429 H LEU 53 HN LEU 53 8.485 6.866 -2.332 430 HA LEU 53 HA LEU 53 7.644 4.392 -3.224 431 1HB LEU 53 HB2 LEU 53 9.944 5.063 -2.449 432 2HB LEU 53 HB1 LEU 53 9.376 4.882 -0.803 433 HG LEU 53 HG LEU 53 10.730 2.961 -1.854 434 1HD1 LEU 53 HD11 LEU 53 9.456 1.268 -0.650 435 2HD1 LEU 53 HD12 LEU 53 8.070 2.355 -0.574 436 3HD1 LEU 53 HD13 LEU 53 9.558 2.765 0.279 437 1HD2 LEU 53 HD21 LEU 53 9.395 1.321 -3.098 438 2HD2 LEU 53 HD22 LEU 53 9.554 2.843 -3.975 439 3HD2 LEU 53 HD23 LEU 53 8.048 2.459 -3.139 440 H ALA 54 HN ALA 54 7.123 5.841 -0.023 441 HA ALA 54 HA ALA 54 6.007 3.684 1.300 442 1HB ALA 54 HB1 ALA 54 6.556 5.810 2.376 443 2HB ALA 54 HB2 ALA 54 4.903 5.313 2.738 444 3HB ALA 54 HB3 ALA 54 5.205 6.579 1.546 445 H SER 55 HN SER 55 4.322 6.166 -0.580 446 HA SER 55 HA SER 55 1.781 4.967 -0.468 447 1HB SER 55 HB2 SER 55 2.941 6.936 -2.450 448 2HB SER 55 HB1 SER 55 1.231 6.516 -2.338 449 HG SER 55 HG SER 55 2.783 8.118 -0.696 450 H HIS 56 HN HIS 56 4.476 4.586 -2.721 451 HA HIS 56 HA HIS 56 3.094 3.132 -4.698 452 1HB HIS 56 HB2 HIS 56 5.994 3.229 -3.903 453 2HB HIS 56 HB1 HIS 56 5.436 2.063 -5.094 454 HD1 HIS 56 HD1 HIS 56 4.580 2.989 -7.374 455 HD2 HIS 56 HD2 HIS 56 6.163 5.865 -4.814 456 HE1 HIS 56 HE1 HIS 56 4.953 5.037 -8.792 457 HE2 HIS 56 HE2 HIS 56 6.103 6.679 -7.269 458 H LEU 57 HN LEU 57 4.456 2.186 -1.619 459 HA LEU 57 HA LEU 57 4.195 -0.614 -1.929 460 1HB LEU 57 HB2 LEU 57 4.017 1.046 0.596 461 2HB LEU 57 HB1 LEU 57 4.251 -0.690 0.528 462 HG LEU 57 HG LEU 57 6.202 1.302 -0.618 463 1HD1 LEU 57 HD11 LEU 57 6.262 -0.141 2.029 464 2HD1 LEU 57 HD12 LEU 57 6.022 1.591 1.793 465 3HD1 LEU 57 HD13 LEU 57 7.561 0.845 1.360 466 1HD2 LEU 57 HD21 LEU 57 6.329 -0.895 -1.638 467 2HD2 LEU 57 HD22 LEU 57 6.399 -1.653 -0.047 468 3HD2 LEU 57 HD23 LEU 57 7.727 -0.629 -0.596 469 H CYS 58 HN CYS 58 2.026 1.889 -0.680 470 HA CYS 58 HA CYS 58 -0.146 0.212 -0.036 471 1HB CYS 58 HB2 CYS 58 0.045 2.579 0.683 472 2HB CYS 58 HB1 CYS 58 -0.217 3.088 -0.989 473 HG CYS 58 HG CYS 58 -2.787 1.518 -0.829 474 H VAL 59 HN VAL 59 0.777 1.840 -3.022 475 HA VAL 59 HA VAL 59 -1.500 1.146 -4.533 476 HB VAL 59 HB VAL 59 1.311 1.806 -5.427 477 1HG1 VAL 59 HG11 VAL 59 0.337 2.267 -7.627 478 2HG1 VAL 59 HG12 VAL 59 -1.228 1.685 -7.059 479 3HG1 VAL 59 HG13 VAL 59 0.134 0.572 -7.181 480 1HG2 VAL 59 HG21 VAL 59 0.218 3.593 -4.198 481 2HG2 VAL 59 HG22 VAL 59 -1.189 3.480 -5.257 482 3HG2 VAL 59 HG23 VAL 59 0.363 4.013 -5.905 483 H ALA 60 HN ALA 60 1.514 -0.538 -3.864 484 HA ALA 60 HA ALA 60 1.290 -2.614 -5.729 485 1HB ALA 60 HB1 ALA 60 2.767 -3.886 -4.252 486 2HB ALA 60 HB2 ALA 60 2.489 -2.718 -2.961 487 3HB ALA 60 HB3 ALA 60 3.324 -2.224 -4.434 488 H ALA 61 HN ALA 61 -0.155 -2.247 -2.499 489 HA ALA 61 HA ALA 61 -1.344 -4.842 -2.558 490 1HB ALA 61 HB1 ALA 61 -2.602 -4.112 -0.623 491 2HB ALA 61 HB2 ALA 61 -2.112 -2.442 -0.906 492 3HB ALA 61 HB3 ALA 61 -0.908 -3.654 -0.464 493 H PHE 62 HN PHE 62 -2.309 -1.622 -3.571 494 HA PHE 62 HA PHE 62 -4.998 -2.142 -4.177 495 1HB PHE 62 HB2 PHE 62 -3.015 -0.234 -5.413 496 2HB PHE 62 HB1 PHE 62 -4.676 -0.348 -5.973 497 HD1 PHE 62 HD1 PHE 62 -6.153 -0.612 -3.454 498 HD2 PHE 62 HD2 PHE 62 -2.813 1.830 -4.437 499 HE1 PHE 62 HE1 PHE 62 -6.817 0.987 -1.693 500 HE2 PHE 62 HE2 PHE 62 -3.475 3.441 -2.694 501 HZ PHE 62 HZ PHE 62 -5.534 3.064 -1.390 502 H GLU 63 HN GLU 63 -2.141 -2.283 -6.279 503 HA GLU 63 HA GLU 63 -3.301 -3.204 -8.616 504 1HB GLU 63 HB2 GLU 63 -0.602 -3.901 -7.437 505 2HB GLU 63 HB1 GLU 63 -1.063 -4.187 -9.109 506 1HG GLU 63 HG2 GLU 63 -1.090 -1.455 -7.866 507 2HG GLU 63 HG1 GLU 63 0.337 -2.139 -8.644 508 H HIS 64 HN HIS 64 -2.347 -4.964 -5.758 509 HA HIS 64 HA HIS 64 -2.568 -7.575 -6.863 510 1HB HIS 64 HB2 HIS 64 -1.239 -6.854 -4.815 511 2HB HIS 64 HB1 HIS 64 -2.764 -6.798 -3.945 512 HD1 HIS 64 HD1 HIS 64 -0.560 -8.668 -2.999 513 HD2 HIS 64 HD2 HIS 64 -3.528 -9.824 -5.665 514 HE1 HIS 64 HE1 HIS 64 -0.705 -11.165 -2.800 515 HE2 HIS 64 HE2 HIS 64 -2.594 -11.839 -4.326 516 H ALA 65 HN ALA 65 -4.684 -5.629 -4.764 517 HA ALA 65 HA ALA 65 -6.668 -7.680 -4.607 518 1HB ALA 65 HB1 ALA 65 -7.972 -6.077 -3.361 519 2HB ALA 65 HB2 ALA 65 -6.890 -4.776 -3.854 520 3HB ALA 65 HB3 ALA 65 -6.300 -6.063 -2.802 521 H SER 66 HN SER 66 -6.517 -4.524 -6.291 522 HA SER 66 HA SER 66 -9.042 -4.520 -7.412 523 1HB SER 66 HB2 SER 66 -8.052 -3.121 -9.233 524 2HB SER 66 HB1 SER 66 -7.603 -2.594 -7.611 525 HG SER 66 HG SER 66 -5.585 -3.289 -7.915 526 H SER 67 HN SER 67 -6.130 -6.113 -8.672 527 HA SER 67 HA SER 67 -7.285 -6.973 -11.102 528 1HB SER 67 HB2 SER 67 -4.974 -8.191 -9.576 529 2HB SER 67 HB1 SER 67 -5.337 -8.435 -11.285 530 HG SER 67 HG SER 67 -4.162 -6.280 -9.997 531 H HIS 68 HN HIS 68 -7.174 -8.397 -7.883 532 HA HIS 68 HA HIS 68 -8.364 -10.883 -8.850 533 1HB HIS 68 HB2 HIS 68 -6.539 -10.724 -7.048 534 2HB HIS 68 HB1 HIS 68 -7.813 -10.164 -5.972 535 HD1 HIS 68 HD1 HIS 68 -6.470 -13.189 -7.635 536 HD2 HIS 68 HD2 HIS 68 -9.694 -12.159 -5.226 537 HE1 HIS 68 HE1 HIS 68 -7.423 -15.369 -6.801 538 HE2 HIS 68 HE2 HIS 68 -9.500 -14.717 -5.527 539 H SER 69 HN SER 69 -9.565 -7.979 -8.368 540 HA SER 69 HA SER 69 -11.615 -7.084 -7.971 541 1HB SER 69 HB2 SER 69 -12.499 -9.980 -8.064 542 2HB SER 69 HB1 SER 69 -13.584 -8.588 -8.114 543 HG SER 69 HG SER 69 -13.015 -8.186 -10.124 544 H ILE 70 HN ILE 70 -9.931 -7.513 -5.786 545 HA ILE 70 HA ILE 70 -11.722 -8.318 -3.602 546 HB ILE 70 HB ILE 70 -8.744 -7.735 -3.523 547 1HG1 ILE 70 HG12 ILE 70 -10.214 -10.381 -3.541 548 2HG1 ILE 70 HG11 ILE 70 -9.265 -9.728 -4.869 549 1HG2 ILE 70 HG21 ILE 70 -8.803 -8.819 -1.329 550 2HG2 ILE 70 HG22 ILE 70 -10.553 -8.987 -1.459 551 3HG2 ILE 70 HG23 ILE 70 -9.826 -7.383 -1.369 552 1HD1 ILE 70 HD11 ILE 70 -8.014 -11.417 -3.674 553 2HD1 ILE 70 HD12 ILE 70 -8.218 -10.531 -2.164 554 3HD1 ILE 70 HD13 ILE 70 -7.257 -9.838 -3.469 555 H SER 71 HN SER 71 -12.017 -6.921 -1.780 556 HA SER 71 HA SER 71 -11.864 -4.084 -2.437 557 1HB SER 71 HB2 SER 71 -13.073 -5.428 -0.003 558 2HB SER 71 HB1 SER 71 -13.336 -3.765 -0.533 559 HG SER 71 HG SER 71 -13.910 -5.431 -2.547 560 H ILE 72 HN ILE 72 -11.149 -2.629 -0.534 561 HA ILE 72 HA ILE 72 -8.897 -3.816 0.928 562 HB ILE 72 HB ILE 72 -8.718 -1.480 -0.996 563 1HG1 ILE 72 HG12 ILE 72 -7.448 -4.203 -0.863 564 2HG1 ILE 72 HG11 ILE 72 -8.420 -3.512 -2.159 565 1HG2 ILE 72 HG21 ILE 72 -6.635 -2.376 0.990 566 2HG2 ILE 72 HG22 ILE 72 -7.508 -0.843 0.996 567 3HG2 ILE 72 HG23 ILE 72 -6.380 -1.209 -0.310 568 1HD1 ILE 72 HD11 ILE 72 -5.674 -2.557 -1.380 569 2HD1 ILE 72 HD12 ILE 72 -6.644 -2.007 -2.747 570 3HD1 ILE 72 HD13 ILE 72 -6.030 -3.658 -2.712 571 H ILE 73 HN ILE 73 -8.238 -2.684 2.746 572 HA ILE 73 HA ILE 73 -9.578 -0.164 3.483 573 HB ILE 73 HB ILE 73 -9.285 -2.646 5.218 574 1HG1 ILE 73 HG12 ILE 73 -11.336 -2.499 3.857 575 2HG1 ILE 73 HG11 ILE 73 -11.690 -2.395 5.580 576 1HG2 ILE 73 HG21 ILE 73 -9.908 0.174 6.102 577 2HG2 ILE 73 HG22 ILE 73 -8.491 -0.789 6.532 578 3HG2 ILE 73 HG23 ILE 73 -10.090 -1.264 7.108 579 1HD1 ILE 73 HD11 ILE 73 -13.044 -0.827 4.336 580 2HD1 ILE 73 HD12 ILE 73 -11.598 -0.098 3.637 581 3HD1 ILE 73 HD13 ILE 73 -11.906 0.038 5.367 582 HA PRO 74 HA PRO 74 -5.173 0.300 4.146 583 1HB PRO 74 HB2 PRO 74 -5.087 2.928 3.503 584 2HB PRO 74 HB1 PRO 74 -5.227 1.641 2.302 585 1HG PRO 74 HG2 PRO 74 -7.212 3.614 3.128 586 2HG PRO 74 HG1 PRO 74 -7.222 2.544 1.720 587 1HD PRO 74 HD2 PRO 74 -8.579 2.230 4.284 588 2HD PRO 74 HD1 PRO 74 -8.802 1.312 2.779 589 H SER 75 HN SER 75 -4.862 0.077 6.358 590 HA SER 75 HA SER 75 -5.268 2.294 8.155 591 1HB SER 75 HB2 SER 75 -3.522 -0.173 8.363 592 2HB SER 75 HB1 SER 75 -3.751 0.998 9.664 593 HG SER 75 HG SER 75 -6.138 0.484 9.113 594 H CYS 76 HN CYS 76 -3.050 1.394 5.771 595 HA CYS 76 HA CYS 76 -0.880 3.102 6.364 596 1HB CYS 76 HB2 CYS 76 -1.780 2.272 3.606 597 2HB CYS 76 HB1 CYS 76 -0.172 2.762 4.113 598 HG CYS 76 HG CYS 76 -0.393 -0.052 3.591 599 H SER 77 HN SER 77 -3.729 4.147 6.447 600 HA SER 77 HA SER 77 -4.464 5.771 4.388 601 1HB SER 77 HB2 SER 77 -5.668 7.072 6.279 602 2HB SER 77 HB1 SER 77 -6.067 5.375 6.011 603 HG SER 77 HG SER 77 -4.125 6.241 7.898 604 H TYR 78 HN TYR 78 -1.684 6.429 6.332 605 HA TYR 78 HA TYR 78 -1.513 9.207 5.961 606 1HB TYR 78 HB2 TYR 78 0.460 8.652 6.942 607 2HB TYR 78 HB1 TYR 78 0.393 7.004 6.328 608 HD1 TYR 78 HD1 TYR 78 1.412 10.469 5.468 609 HD2 TYR 78 HD2 TYR 78 1.673 6.351 4.440 610 HE1 TYR 78 HE1 TYR 78 3.194 10.988 3.853 611 HE2 TYR 78 HE2 TYR 78 3.445 6.847 2.813 612 HH TYR 78 HH TYR 78 5.030 9.897 2.720 613 H VAL 79 HN VAL 79 -0.751 6.514 3.825 614 HA VAL 79 HA VAL 79 -0.195 7.952 1.469 615 HB VAL 79 HB VAL 79 -1.378 5.187 1.819 616 1HG1 VAL 79 HG11 VAL 79 -0.080 6.412 -0.612 617 2HG1 VAL 79 HG12 VAL 79 -1.799 6.065 -0.420 618 3HG1 VAL 79 HG13 VAL 79 -0.630 4.744 -0.457 619 1HG2 VAL 79 HG21 VAL 79 0.912 4.388 1.437 620 2HG2 VAL 79 HG22 VAL 79 0.793 5.389 2.884 621 3HG2 VAL 79 HG23 VAL 79 1.479 6.058 1.403 622 H SER 80 HN SER 80 -3.121 6.429 2.710 623 HA SER 80 HA SER 80 -4.788 6.937 0.536 624 1HB SER 80 HB2 SER 80 -5.651 6.850 3.427 625 2HB SER 80 HB1 SER 80 -6.600 6.406 2.005 626 HG SER 80 HG SER 80 -5.019 4.737 1.637 627 H ASP 81 HN ASP 81 -3.969 8.912 3.286 628 HA ASP 81 HA ASP 81 -5.981 10.847 3.032 629 1HB ASP 81 HB2 ASP 81 -4.871 10.816 5.092 630 2HB ASP 81 HB1 ASP 81 -3.276 10.784 4.349 631 H THR 82 HN THR 82 -2.550 10.933 1.972 632 HA THR 82 HA THR 82 -3.080 13.390 0.505 633 HB THR 82 HB THR 82 -1.040 13.341 1.794 634 HG1 THR 82 HG1 THR 82 -0.952 14.535 -0.135 635 1HG2 THR 82 HG21 THR 82 0.831 11.862 1.252 636 2HG2 THR 82 HG22 THR 82 -0.163 11.033 0.054 637 3HG2 THR 82 HG23 THR 82 -0.582 10.940 1.765 638 H PHE 83 HN PHE 83 -1.985 10.088 -0.236 639 HA PHE 83 HA PHE 83 -1.476 10.671 -2.984 640 1HB PHE 83 HB2 PHE 83 -0.480 8.854 -1.398 641 2HB PHE 83 HB1 PHE 83 -1.844 7.897 -1.952 642 HD1 PHE 83 HD1 PHE 83 -1.337 6.419 -3.605 643 HD2 PHE 83 HD2 PHE 83 0.656 10.178 -3.541 644 HE1 PHE 83 HE1 PHE 83 -0.108 5.794 -5.643 645 HE2 PHE 83 HE2 PHE 83 1.898 9.556 -5.573 646 HZ PHE 83 HZ PHE 83 1.554 7.369 -6.606 647 H LEU 84 HN LEU 84 -4.178 9.161 -1.263 648 HA LEU 84 HA LEU 84 -5.296 8.039 -3.621 649 1HB LEU 84 HB2 LEU 84 -6.292 8.403 -0.843 650 2HB LEU 84 HB1 LEU 84 -7.412 7.929 -2.107 651 HG LEU 84 HG LEU 84 -4.902 6.444 -1.312 652 1HD1 LEU 84 HD11 LEU 84 -6.457 4.688 -0.606 653 2HD1 LEU 84 HD12 LEU 84 -7.812 5.754 -0.975 654 3HD1 LEU 84 HD13 LEU 84 -6.682 6.177 0.312 655 1HD2 LEU 84 HD21 LEU 84 -5.302 6.259 -3.693 656 2HD2 LEU 84 HD22 LEU 84 -6.979 5.803 -3.391 657 3HD2 LEU 84 HD23 LEU 84 -5.672 4.736 -2.882 658 HA PRO 85 HA PRO 85 -8.046 12.027 -3.794 659 1HB PRO 85 HB2 PRO 85 -6.147 13.954 -2.603 660 2HB PRO 85 HB1 PRO 85 -7.904 13.865 -2.447 661 1HG PRO 85 HG2 PRO 85 -6.295 13.179 -0.428 662 2HG PRO 85 HG1 PRO 85 -7.812 12.315 -0.740 663 1HD PRO 85 HD2 PRO 85 -4.995 11.498 -1.372 664 2HD PRO 85 HD1 PRO 85 -6.360 10.518 -0.789 665 H ARG 86 HN ARG 86 -4.559 11.854 -3.867 666 HA ARG 86 HA ARG 86 -4.153 13.630 -6.048 667 1HB ARG 86 HB2 ARG 86 -2.318 13.114 -4.590 668 2HB ARG 86 HB1 ARG 86 -2.475 11.393 -4.909 669 1HG ARG 86 HG2 ARG 86 -1.673 11.674 -7.149 670 2HG ARG 86 HG1 ARG 86 -1.694 13.433 -6.983 671 1HD ARG 86 HD2 ARG 86 0.101 13.422 -5.472 672 2HD ARG 86 HD1 ARG 86 -0.073 11.699 -5.144 673 HE ARG 86 HE ARG 86 0.576 11.621 -7.713 674 1HH1 ARG 86 HH11 ARG 86 1.896 13.711 -5.229 675 2HH1 ARG 86 HH12 ARG 86 3.524 13.644 -5.853 676 1HH2 ARG 86 HH21 ARG 86 2.712 11.540 -8.550 677 2HH2 ARG 86 HH22 ARG 86 3.990 12.397 -7.731 678 H ASN 87 HN ASN 87 -4.414 10.082 -5.853 679 HA ASN 87 HA ASN 87 -5.556 10.162 -8.545 680 1HB ASN 87 HB2 ASN 87 -4.420 7.946 -9.057 681 2HB ASN 87 HB1 ASN 87 -3.387 9.366 -9.075 682 1HD2 ASN 87 HD21 ASN 87 -1.812 9.600 -7.524 683 2HD2 ASN 87 HD22 ASN 87 -1.332 8.313 -6.477 684 HA PRO 88 HA PRO 88 -8.409 8.129 -5.684 685 1HB PRO 88 HB2 PRO 88 -10.505 9.154 -7.399 686 2HB PRO 88 HB1 PRO 88 -10.108 9.623 -5.747 687 1HG PRO 88 HG2 PRO 88 -9.755 11.264 -7.884 688 2HG PRO 88 HG1 PRO 88 -8.748 11.338 -6.425 689 1HD PRO 88 HD2 PRO 88 -8.168 10.033 -9.065 690 2HD PRO 88 HD1 PRO 88 -7.106 11.024 -8.042 691 H SER 89 HN SER 89 -7.174 6.598 -7.757 692 HA SER 89 HA SER 89 -9.338 5.502 -9.374 693 1HB SER 89 HB2 SER 89 -7.305 4.070 -10.220 694 2HB SER 89 HB1 SER 89 -7.439 5.765 -10.690 695 HG SER 89 HG SER 89 -5.840 4.683 -8.601 696 H TRP 90 HN TRP 90 -8.572 5.057 -6.315 697 HA TRP 90 HA TRP 90 -8.877 2.127 -6.419 698 1HB TRP 90 HB2 TRP 90 -7.351 3.483 -4.220 699 2HB TRP 90 HB1 TRP 90 -7.263 1.811 -4.759 700 HD1 TRP 90 HD1 TRP 90 -5.592 5.102 -5.161 701 HE1 TRP 90 HE1 TRP 90 -3.766 4.976 -6.957 702 HE3 TRP 90 HE3 TRP 90 -6.778 0.558 -7.185 703 HZ2 TRP 90 HZ2 TRP 90 -2.932 3.179 -8.972 704 HZ3 TRP 90 HZ3 TRP 90 -5.412 -0.292 -9.052 705 HH2 TRP 90 HH2 TRP 90 -3.531 0.997 -9.922 706 H LYS 91 HN LYS 91 -10.429 4.822 -5.760 707 HA LYS 91 HA LYS 91 -11.493 4.530 -3.193 708 1HB LYS 91 HB2 LYS 91 -11.827 6.569 -4.473 709 2HB LYS 91 HB1 LYS 91 -12.766 5.701 -5.678 710 1HG LYS 91 HG2 LYS 91 -14.533 5.306 -4.111 711 2HG LYS 91 HG1 LYS 91 -13.570 5.968 -2.790 712 1HD LYS 91 HD2 LYS 91 -14.361 7.577 -5.209 713 2HD LYS 91 HD1 LYS 91 -15.345 7.494 -3.747 714 1HE LYS 91 HE2 LYS 91 -13.489 8.389 -2.430 715 2HE LYS 91 HE1 LYS 91 -12.479 8.431 -3.885 716 1HZ LYS 91 HZ1 LYS 91 -14.991 9.969 -3.506 717 2HZ LYS 91 HZ2 LYS 91 -13.961 10.056 -4.850 718 3HZ LYS 91 HZ3 LYS 91 -13.429 10.597 -3.334 719 HA PRO 92 HA PRO 92 -14.874 1.651 -5.392 720 1HB PRO 92 HB2 PRO 92 -13.632 0.054 -7.282 721 2HB PRO 92 HB1 PRO 92 -14.702 1.414 -7.634 722 1HG PRO 92 HG2 PRO 92 -11.717 1.320 -7.559 723 2HG PRO 92 HG1 PRO 92 -12.788 2.152 -8.704 724 1HD PRO 92 HD2 PRO 92 -11.560 3.507 -6.768 725 2HD PRO 92 HD1 PRO 92 -13.237 3.885 -7.214 726 H LEU 93 HN LEU 93 -11.640 1.150 -4.446 727 HA LEU 93 HA LEU 93 -12.095 -1.670 -3.809 728 1HB LEU 93 HB2 LEU 93 -9.590 -0.031 -3.444 729 2HB LEU 93 HB1 LEU 93 -9.730 -1.778 -3.344 730 HG LEU 93 HG LEU 93 -10.246 -0.181 -5.846 731 1HD1 LEU 93 HD11 LEU 93 -8.063 -1.012 -6.607 732 2HD1 LEU 93 HD12 LEU 93 -7.787 -1.737 -5.024 733 3HD1 LEU 93 HD13 LEU 93 -7.902 0.016 -5.184 734 1HD2 LEU 93 HD21 LEU 93 -11.401 -2.328 -5.776 735 2HD2 LEU 93 HD22 LEU 93 -9.890 -3.146 -5.374 736 3HD2 LEU 93 HD23 LEU 93 -10.084 -2.374 -6.948 737 H ILE 94 HN ILE 94 -11.138 1.361 -2.269 738 HA ILE 94 HA ILE 94 -11.673 0.167 0.361 739 HB ILE 94 HB ILE 94 -10.389 1.959 1.331 740 1HG1 ILE 94 HG12 ILE 94 -9.801 3.113 -1.380 741 2HG1 ILE 94 HG11 ILE 94 -11.206 3.650 -0.458 742 1HG2 ILE 94 HG21 ILE 94 -9.100 0.098 0.472 743 2HG2 ILE 94 HG22 ILE 94 -8.197 1.601 0.288 744 3HG2 ILE 94 HG23 ILE 94 -8.993 0.874 -1.107 745 1HD1 ILE 94 HD11 ILE 94 -9.290 5.106 -0.108 746 2HD1 ILE 94 HD12 ILE 94 -8.355 3.730 0.486 747 3HD1 ILE 94 HD13 ILE 94 -9.765 4.291 1.383 748 H HIS 95 HN HIS 95 -12.032 2.766 1.629 749 HA HIS 95 HA HIS 95 -14.696 3.434 0.789 750 1HB HIS 95 HB2 HIS 95 -12.890 4.458 2.974 751 2HB HIS 95 HB1 HIS 95 -14.459 5.195 2.627 752 HD1 HIS 95 HD1 HIS 95 -16.454 3.139 2.528 753 HD2 HIS 95 HD2 HIS 95 -13.093 2.627 4.929 754 HE1 HIS 95 HE1 HIS 95 -17.084 1.385 4.220 755 HE2 HIS 95 HE2 HIS 95 -15.042 1.095 5.677 756 H SER 96 HN SER 96 -11.933 5.682 1.396 757 HA SER 96 HA SER 96 -11.856 6.517 -1.353 758 1HB SER 96 HB2 SER 96 -12.891 8.552 0.646 759 2HB SER 96 HB1 SER 96 -12.583 8.820 -1.066 760 HG SER 96 HG SER 96 -14.249 6.774 -0.883 761 H GLU 97 HN GLU 97 -11.166 7.694 1.942 762 HA GLU 97 HA GLU 97 -8.411 8.189 1.401 763 1HB GLU 97 HB2 GLU 97 -9.532 10.099 0.287 764 2HB GLU 97 HB1 GLU 97 -10.329 10.486 1.803 765 1HG GLU 97 HG2 GLU 97 -7.646 10.505 2.448 766 2HG GLU 97 HG1 GLU 97 -7.711 11.231 0.841 767 H VAL 98 HN VAL 98 -8.163 10.134 3.600 768 HA VAL 98 HA VAL 98 -8.385 8.161 5.689 769 HB VAL 98 HB VAL 98 -6.315 9.494 5.411 770 1HG1 VAL 98 HG11 VAL 98 -6.232 11.763 6.345 771 2HG1 VAL 98 HG12 VAL 98 -7.990 11.749 6.493 772 3HG1 VAL 98 HG13 VAL 98 -7.238 11.665 4.899 773 1HG2 VAL 98 HG21 VAL 98 -5.966 9.871 7.812 774 2HG2 VAL 98 HG22 VAL 98 -6.755 8.331 7.470 775 3HG2 VAL 98 HG23 VAL 98 -7.702 9.692 8.069 776 H PHE 99 HN PHE 99 -9.646 11.474 5.151 777 HA PHE 99 HA PHE 99 -11.679 10.930 7.192 778 1HB PHE 99 HB2 PHE 99 -9.907 13.371 7.056 779 2HB PHE 99 HB1 PHE 99 -11.430 13.349 7.940 780 HD1 PHE 99 HD1 PHE 99 -11.665 11.262 9.582 781 HD2 PHE 99 HD2 PHE 99 -7.991 12.935 8.242 782 HE1 PHE 99 HE1 PHE 99 -10.522 10.311 11.541 783 HE2 PHE 99 HE2 PHE 99 -6.842 11.982 10.198 784 HZ PHE 99 HZ PHE 99 -8.110 10.669 11.852 785 H LYS 100 HN LYS 100 -11.472 11.050 4.229 786 HA LYS 100 HA LYS 100 -12.973 13.175 3.204 787 1HB LYS 100 HB2 LYS 100 -13.646 11.383 1.468 788 2HB LYS 100 HB1 LYS 100 -11.945 11.805 1.620 789 1HG LYS 100 HG2 LYS 100 -12.058 9.454 1.440 790 2HG LYS 100 HG1 LYS 100 -11.680 9.813 3.121 791 1HD LYS 100 HD2 LYS 100 -14.072 9.533 3.654 792 2HD LYS 100 HD1 LYS 100 -14.361 9.029 1.995 793 1HE LYS 100 HE2 LYS 100 -14.174 7.042 3.247 794 2HE LYS 100 HE1 LYS 100 -12.645 7.218 2.390 795 1HZ LYS 100 HZ1 LYS 100 -12.380 6.533 4.723 796 2HZ LYS 100 HZ2 LYS 100 -13.082 7.989 5.230 797 3HZ LYS 100 HZ3 LYS 100 -11.609 8.003 4.393 798 H SER 101 HN SER 101 -13.817 10.527 5.155 799 HA SER 101 HA SER 101 -15.695 9.669 6.006 800 1HB SER 101 HB2 SER 101 -17.160 11.275 6.989 801 2HB SER 101 HB1 SER 101 -15.522 11.938 6.960 802 HG SER 101 HG SER 101 -17.299 12.513 4.855 803 H SER 102 HN SER 102 -16.298 8.283 4.428 804 HA SER 102 HA SER 102 -18.517 9.158 2.706 805 1HB SER 102 HB2 SER 102 -16.451 6.990 2.166 806 2HB SER 102 HB1 SER 102 -17.812 7.403 1.112 807 HG SER 102 HG SER 102 -16.856 9.611 1.146 808 H ILE 103 HN ILE 103 -19.566 6.799 1.946 809 HA ILE 103 HA ILE 103 -20.210 5.478 4.485 810 HB ILE 103 HB ILE 103 -22.189 6.456 3.632 811 1HG1 ILE 103 HG12 ILE 103 -22.208 3.526 2.883 812 2HG1 ILE 103 HG11 ILE 103 -22.428 4.169 4.505 813 1HG2 ILE 103 HG21 ILE 103 -23.058 6.066 1.376 814 2HG2 ILE 103 HG22 ILE 103 -21.597 5.159 0.980 815 3HG2 ILE 103 HG23 ILE 103 -21.494 6.879 1.351 816 1HD1 ILE 103 HD11 ILE 103 -24.248 4.655 2.163 817 2HD1 ILE 103 HD12 ILE 103 -24.474 5.274 3.798 818 3HD1 ILE 103 HD13 ILE 103 -24.546 3.537 3.494 Start of MODEL 6 1 1H MET 1 HT1 MET 1 11.752 11.072 -14.823 2 2H MET 1 HT2 MET 1 12.627 11.329 -16.251 3 3H MET 1 HT3 MET 1 12.605 12.524 -15.045 4 HA MET 1 HA MET 1 13.788 9.822 -14.778 5 1HB MET 1 HB2 MET 1 15.083 12.540 -15.058 6 2HB MET 1 HB1 MET 1 15.944 11.061 -14.664 7 1HG MET 1 HG2 MET 1 15.272 10.117 -16.830 8 2HG MET 1 HG1 MET 1 14.456 11.630 -17.219 9 1HE MET 1 HE1 MET 1 17.584 11.713 -19.577 10 2HE MET 1 HE2 MET 1 15.824 11.760 -19.484 11 3HE MET 1 HE3 MET 1 16.687 10.271 -19.101 12 H ALA 2 HN ALA 2 11.998 11.989 -13.170 13 HA ALA 2 HA ALA 2 13.555 12.528 -10.854 14 1HB ALA 2 HB1 ALA 2 11.628 13.899 -11.452 15 2HB ALA 2 HB2 ALA 2 11.432 13.214 -9.838 16 3HB ALA 2 HB3 ALA 2 10.557 12.522 -11.204 17 H THR 3 HN THR 3 11.273 10.017 -11.748 18 HA THR 3 HA THR 3 12.071 8.526 -9.356 19 HB THR 3 HB THR 3 9.891 9.384 -8.827 20 HG1 THR 3 HG1 THR 3 10.009 6.652 -9.543 21 1HG2 THR 3 HG21 THR 3 8.923 8.213 -11.438 22 2HG2 THR 3 HG22 THR 3 9.136 9.929 -11.097 23 3HG2 THR 3 HG23 THR 3 7.919 9.002 -10.220 24 H GLU 4 HN GLU 4 13.124 6.801 -10.034 25 HA GLU 4 HA GLU 4 12.343 5.501 -12.524 26 1HB GLU 4 HB2 GLU 4 14.399 4.124 -12.140 27 2HB GLU 4 HB1 GLU 4 14.707 5.846 -12.307 28 1HG GLU 4 HG2 GLU 4 14.971 6.064 -9.915 29 2HG GLU 4 HG1 GLU 4 14.553 4.365 -9.691 30 HA PRO 5 HA PRO 5 9.792 2.466 -10.657 31 1HB PRO 5 HB2 PRO 5 10.663 0.250 -12.120 32 2HB PRO 5 HB1 PRO 5 9.389 1.375 -12.598 33 1HG PRO 5 HG2 PRO 5 12.256 1.298 -13.416 34 2HG PRO 5 HG1 PRO 5 10.823 1.713 -14.373 35 1HD PRO 5 HD2 PRO 5 12.471 3.612 -13.467 36 2HD PRO 5 HD1 PRO 5 10.713 3.866 -13.506 37 HA PRO 6 HA PRO 6 12.696 0.814 -7.602 38 1HB PRO 6 HB2 PRO 6 10.222 0.253 -6.126 39 2HB PRO 6 HB1 PRO 6 11.570 1.298 -5.677 40 1HG PRO 6 HG2 PRO 6 9.167 2.294 -6.355 41 2HG PRO 6 HG1 PRO 6 10.679 3.135 -6.746 42 1HD PRO 6 HD2 PRO 6 8.938 1.448 -8.509 43 2HD PRO 6 HD1 PRO 6 9.742 2.995 -8.864 44 H LYS 7 HN LYS 7 12.705 -1.332 -6.339 45 HA LYS 7 HA LYS 7 11.602 -3.410 -8.129 46 1HB LYS 7 HB2 LYS 7 13.796 -3.830 -6.094 47 2HB LYS 7 HB1 LYS 7 13.342 -4.886 -7.415 48 1HG LYS 7 HG2 LYS 7 14.638 -2.188 -7.734 49 2HG LYS 7 HG1 LYS 7 15.483 -3.735 -7.774 50 1HD LYS 7 HD2 LYS 7 15.135 -3.697 -9.980 51 2HD LYS 7 HD1 LYS 7 13.448 -4.068 -9.610 52 1HE LYS 7 HE2 LYS 7 13.592 -2.152 -11.094 53 2HE LYS 7 HE1 LYS 7 12.948 -1.675 -9.522 54 1HZ LYS 7 HZ1 LYS 7 15.672 -1.199 -10.596 55 2HZ LYS 7 HZ2 LYS 7 15.299 -1.014 -8.956 56 3HZ LYS 7 HZ3 LYS 7 14.527 -0.046 -10.106 57 H ILE 8 HN ILE 8 9.548 -3.443 -7.101 58 HA ILE 8 HA ILE 8 9.605 -3.791 -4.217 59 HB ILE 8 HB ILE 8 7.099 -3.526 -5.871 60 1HG1 ILE 8 HG12 ILE 8 8.646 -1.606 -6.298 61 2HG1 ILE 8 HG11 ILE 8 7.162 -1.131 -5.475 62 1HG2 ILE 8 HG21 ILE 8 6.219 -2.657 -3.714 63 2HG2 ILE 8 HG22 ILE 8 7.780 -3.023 -2.969 64 3HG2 ILE 8 HG23 ILE 8 6.776 -4.328 -3.612 65 1HD1 ILE 8 HD11 ILE 8 9.118 -0.005 -4.556 66 2HD1 ILE 8 HD12 ILE 8 9.837 -1.568 -4.165 67 3HD1 ILE 8 HD13 ILE 8 8.356 -1.051 -3.357 68 H VAL 9 HN VAL 9 9.531 -5.725 -3.367 69 HA VAL 9 HA VAL 9 8.761 -7.988 -5.051 70 HB VAL 9 HB VAL 9 10.075 -9.345 -3.640 71 1HG1 VAL 9 HG11 VAL 9 11.534 -6.729 -3.852 72 2HG1 VAL 9 HG12 VAL 9 11.343 -7.897 -5.162 73 3HG1 VAL 9 HG13 VAL 9 12.263 -8.329 -3.719 74 1HG2 VAL 9 HG21 VAL 9 9.328 -8.544 -1.475 75 2HG2 VAL 9 HG22 VAL 9 10.228 -7.044 -1.702 76 3HG2 VAL 9 HG23 VAL 9 11.090 -8.574 -1.538 77 H TRP 10 HN TRP 10 7.624 -9.782 -3.889 78 HA TRP 10 HA TRP 10 5.752 -8.675 -1.924 79 1HB TRP 10 HB2 TRP 10 4.605 -9.185 -3.993 80 2HB TRP 10 HB1 TRP 10 5.257 -10.826 -3.993 81 HD1 TRP 10 HD1 TRP 10 3.698 -9.061 -0.951 82 HE1 TRP 10 HE1 TRP 10 1.657 -10.401 -0.175 83 HE3 TRP 10 HE3 TRP 10 3.557 -12.520 -4.712 84 HZ2 TRP 10 HZ2 TRP 10 0.164 -12.642 -1.059 85 HZ3 TRP 10 HZ3 TRP 10 1.783 -14.229 -4.673 86 HH2 TRP 10 HH2 TRP 10 0.124 -14.287 -2.885 87 H ASN 11 HN ASN 11 6.352 -9.307 -0.007 88 HA ASN 11 HA ASN 11 7.544 -11.910 0.440 89 1HB ASN 11 HB2 ASN 11 8.218 -9.754 1.642 90 2HB ASN 11 HB1 ASN 11 6.726 -9.935 2.558 91 1HD2 ASN 11 HD21 ASN 11 9.520 -10.013 3.371 92 2HD2 ASN 11 HD22 ASN 11 9.735 -11.522 4.197 93 H GLU 12 HN GLU 12 5.721 -13.049 -0.343 94 HA GLU 12 HA GLU 12 3.110 -12.841 0.578 95 1HB GLU 12 HB2 GLU 12 2.826 -15.125 -0.338 96 2HB GLU 12 HB1 GLU 12 3.632 -14.026 -1.450 97 1HG GLU 12 HG2 GLU 12 5.775 -14.998 -0.922 98 2HG GLU 12 HG1 GLU 12 5.037 -16.027 0.303 99 H GLY 13 HN GLY 13 5.857 -14.253 2.103 100 1HA GLY 13 HA2 GLY 13 4.400 -16.148 3.703 101 2HA GLY 13 HA1 GLY 13 6.083 -15.678 3.908 102 H LYS 14 HN LYS 14 5.077 -12.806 3.875 103 HA LYS 14 HA LYS 14 4.231 -12.726 6.697 104 1HB LYS 14 HB2 LYS 14 5.563 -10.499 5.157 105 2HB LYS 14 HB1 LYS 14 5.369 -10.637 6.902 106 1HG LYS 14 HG2 LYS 14 7.098 -12.403 5.188 107 2HG LYS 14 HG1 LYS 14 7.666 -11.058 6.175 108 1HD LYS 14 HD2 LYS 14 7.044 -12.185 8.188 109 2HD LYS 14 HD1 LYS 14 6.204 -13.451 7.284 110 1HE LYS 14 HE2 LYS 14 8.240 -14.282 6.394 111 2HE LYS 14 HE1 LYS 14 9.142 -12.888 6.977 112 1HZ LYS 14 HZ1 LYS 14 9.563 -14.762 8.376 113 2HZ LYS 14 HZ2 LYS 14 7.908 -15.023 8.635 114 3HZ LYS 14 HZ3 LYS 14 8.657 -13.633 9.257 115 H ARG 15 HN ARG 15 3.046 -12.532 3.706 116 HA ARG 15 HA ARG 15 1.350 -11.495 2.609 117 1HB ARG 15 HB2 ARG 15 0.411 -10.853 5.412 118 2HB ARG 15 HB1 ARG 15 -0.570 -10.759 3.954 119 1HG ARG 15 HG2 ARG 15 -0.497 -13.112 3.659 120 2HG ARG 15 HG1 ARG 15 0.737 -13.278 4.908 121 1HD ARG 15 HD2 ARG 15 -2.073 -12.298 5.375 122 2HD ARG 15 HD1 ARG 15 -1.512 -13.941 5.687 123 HE ARG 15 HE ARG 15 -0.566 -11.531 7.113 124 1HH1 ARG 15 HH11 ARG 15 -1.100 -14.990 6.947 125 2HH1 ARG 15 HH12 ARG 15 -0.689 -15.260 8.616 126 1HH2 ARG 15 HH21 ARG 15 -0.009 -11.890 9.305 127 2HH2 ARG 15 HH22 ARG 15 -0.055 -13.504 9.948 128 H ARG 16 HN ARG 16 3.481 -10.026 2.397 129 HA ARG 16 HA ARG 16 2.472 -7.320 2.559 130 1HB ARG 16 HB2 ARG 16 4.402 -6.431 3.698 131 2HB ARG 16 HB1 ARG 16 3.536 -7.545 4.720 132 1HG ARG 16 HG2 ARG 16 5.213 -9.223 4.424 133 2HG ARG 16 HG1 ARG 16 6.022 -8.265 3.180 134 1HD ARG 16 HD2 ARG 16 6.171 -6.466 5.067 135 2HD ARG 16 HD1 ARG 16 5.896 -7.834 6.143 136 HE ARG 16 HE ARG 16 8.036 -8.227 4.244 137 1HH1 ARG 16 HH11 ARG 16 7.166 -7.036 7.427 138 2HH1 ARG 16 HH12 ARG 16 8.797 -7.109 8.034 139 1HH2 ARG 16 HH21 ARG 16 10.164 -8.319 5.032 140 2HH2 ARG 16 HH22 ARG 16 10.496 -7.862 6.678 141 H PHE 17 HN PHE 17 4.171 -5.753 1.750 142 HA PHE 17 HA PHE 17 5.661 -6.982 -0.491 143 1HB PHE 17 HB2 PHE 17 4.481 -4.199 -0.476 144 2HB PHE 17 HB1 PHE 17 5.295 -4.986 -1.816 145 HD1 PHE 17 HD1 PHE 17 2.176 -4.343 -0.233 146 HD2 PHE 17 HD2 PHE 17 4.205 -7.080 -2.784 147 HE1 PHE 17 HE1 PHE 17 0.012 -5.187 -1.042 148 HE2 PHE 17 HE2 PHE 17 2.041 -7.916 -3.604 149 HZ PHE 17 HZ PHE 17 -0.065 -6.945 -2.741 150 H GLU 18 HN GLU 18 7.601 -5.804 -1.134 151 HA GLU 18 HA GLU 18 8.751 -4.043 0.892 152 1HB GLU 18 HB2 GLU 18 9.599 -6.816 0.311 153 2HB GLU 18 HB1 GLU 18 10.881 -5.634 0.512 154 1HG GLU 18 HG2 GLU 18 10.126 -5.119 2.718 155 2HG GLU 18 HG1 GLU 18 8.683 -6.111 2.510 156 H THR 19 HN THR 19 10.368 -2.673 0.104 157 HA THR 19 HA THR 19 10.481 -2.499 -2.771 158 HB THR 19 HB THR 19 10.356 -0.467 -1.337 159 HG1 THR 19 HG1 THR 19 11.389 -0.406 -3.458 160 1HG2 THR 19 HG21 THR 19 12.351 0.263 -0.135 161 2HG2 THR 19 HG22 THR 19 13.145 -1.261 -0.530 162 3HG2 THR 19 HG23 THR 19 11.720 -1.253 0.508 163 H GLU 20 HN GLU 20 12.975 -1.850 -3.469 164 HA GLU 20 HA GLU 20 14.290 -4.330 -3.649 165 1HB GLU 20 HB2 GLU 20 16.063 -3.128 -4.758 166 2HB GLU 20 HB1 GLU 20 14.530 -2.444 -5.240 167 1HG GLU 20 HG2 GLU 20 15.766 -1.129 -2.954 168 2HG GLU 20 HG1 GLU 20 16.642 -0.987 -4.479 169 H ASP 21 HN ASP 21 14.151 -2.183 -1.131 170 HA ASP 21 HA ASP 21 16.930 -2.649 -0.354 171 1HB ASP 21 HB2 ASP 21 17.046 -0.473 0.349 172 2HB ASP 21 HB1 ASP 21 15.979 -0.358 -1.006 173 H HIS 22 HN HIS 22 13.767 -3.365 0.420 174 HA HIS 22 HA HIS 22 12.837 -4.677 2.000 175 1HB HIS 22 HB2 HIS 22 15.724 -5.334 2.587 176 2HB HIS 22 HB1 HIS 22 14.353 -6.185 3.293 177 HD1 HIS 22 HD1 HIS 22 12.966 -7.715 1.720 178 HD2 HIS 22 HD2 HIS 22 16.286 -5.965 -0.070 179 HE1 HIS 22 HE1 HIS 22 13.336 -8.988 -0.422 180 HE2 HIS 22 HE2 HIS 22 15.491 -8.069 -1.350 181 H GLU 23 HN GLU 23 14.126 -1.876 2.726 182 HA GLU 23 HA GLU 23 13.689 -2.154 5.624 183 1HB GLU 23 HB2 GLU 23 14.852 0.194 4.113 184 2HB GLU 23 HB1 GLU 23 14.789 -0.005 5.859 185 1HG GLU 23 HG2 GLU 23 16.186 -2.123 5.455 186 2HG GLU 23 HG1 GLU 23 16.501 -1.429 3.859 187 H ALA 24 HN ALA 24 12.623 -0.648 2.682 188 HA ALA 24 HA ALA 24 10.296 0.477 4.049 189 1HB ALA 24 HB1 ALA 24 9.707 1.417 1.868 190 2HB ALA 24 HB2 ALA 24 11.095 0.606 1.142 191 3HB ALA 24 HB3 ALA 24 11.342 1.874 2.345 192 H PHE 25 HN PHE 25 8.395 -0.528 4.097 193 HA PHE 25 HA PHE 25 7.675 -2.540 2.170 194 1HB PHE 25 HB2 PHE 25 7.319 -4.304 3.890 195 2HB PHE 25 HB1 PHE 25 9.018 -3.956 3.575 196 HD1 PHE 25 HD1 PHE 25 6.316 -3.869 6.014 197 HD2 PHE 25 HD2 PHE 25 10.360 -2.784 5.260 198 HE1 PHE 25 HE1 PHE 25 6.665 -3.505 8.424 199 HE2 PHE 25 HE2 PHE 25 10.718 -2.426 7.665 200 HZ PHE 25 HZ PHE 25 8.858 -2.813 9.255 201 H ILE 26 HN ILE 26 5.531 -3.453 2.633 202 HA ILE 26 HA ILE 26 3.929 -1.893 4.521 203 HB ILE 26 HB ILE 26 3.791 -1.445 1.780 204 1HG1 ILE 26 HG12 ILE 26 1.882 -0.906 4.043 205 2HG1 ILE 26 HG11 ILE 26 3.136 0.144 3.394 206 1HG2 ILE 26 HG21 ILE 26 2.631 -3.530 1.357 207 2HG2 ILE 26 HG22 ILE 26 1.526 -2.174 1.127 208 3HG2 ILE 26 HG23 ILE 26 1.435 -3.145 2.597 209 1HD1 ILE 26 HD11 ILE 26 0.609 -0.672 1.987 210 2HD1 ILE 26 HD12 ILE 26 1.865 0.380 1.327 211 3HD1 ILE 26 HD13 ILE 26 0.930 0.895 2.732 212 H GLU 27 HN GLU 27 2.512 -3.123 5.660 213 HA GLU 27 HA GLU 27 2.487 -5.991 4.979 214 1HB GLU 27 HB2 GLU 27 3.356 -5.295 7.226 215 2HB GLU 27 HB1 GLU 27 1.758 -4.664 7.607 216 1HG GLU 27 HG2 GLU 27 0.812 -6.892 7.414 217 2HG GLU 27 HG1 GLU 27 2.385 -7.539 6.949 218 H TYR 28 HN TYR 28 0.411 -7.170 5.206 219 HA TYR 28 HA TYR 28 -1.951 -5.546 5.553 220 1HB TYR 28 HB2 TYR 28 -2.960 -5.991 3.405 221 2HB TYR 28 HB1 TYR 28 -1.390 -5.257 3.132 222 HD1 TYR 28 HD1 TYR 28 -3.155 -8.531 3.156 223 HD2 TYR 28 HD2 TYR 28 0.202 -6.316 1.764 224 HE1 TYR 28 HE1 TYR 28 -2.554 -10.392 1.669 225 HE2 TYR 28 HE2 TYR 28 0.813 -8.175 0.275 226 HH TYR 28 HH TYR 28 -1.278 -10.932 -0.201 227 H LYS 29 HN LYS 29 -3.945 -6.893 5.344 228 HA LYS 29 HA LYS 29 -3.538 -9.766 5.641 229 1HB LYS 29 HB2 LYS 29 -5.147 -9.843 7.553 230 2HB LYS 29 HB1 LYS 29 -3.621 -9.068 7.952 231 1HG LYS 29 HG2 LYS 29 -5.978 -7.434 7.107 232 2HG LYS 29 HG1 LYS 29 -5.821 -8.008 8.770 233 1HD LYS 29 HD2 LYS 29 -3.393 -6.800 7.669 234 2HD LYS 29 HD1 LYS 29 -4.757 -5.690 7.807 235 1HE LYS 29 HE2 LYS 29 -3.892 -7.468 10.061 236 2HE LYS 29 HE1 LYS 29 -3.197 -5.870 9.799 237 1HZ LYS 29 HZ1 LYS 29 -6.031 -6.536 10.376 238 2HZ LYS 29 HZ2 LYS 29 -5.527 -5.001 9.859 239 3HZ LYS 29 HZ3 LYS 29 -4.970 -5.627 11.334 240 H MET 30 HN MET 30 -5.766 -10.877 5.582 241 HA MET 30 HA MET 30 -7.532 -9.320 3.799 242 1HB MET 30 HB2 MET 30 -8.232 -11.530 2.854 243 2HB MET 30 HB1 MET 30 -6.570 -11.088 2.519 244 1HG MET 30 HG2 MET 30 -5.788 -12.574 4.252 245 2HG MET 30 HG1 MET 30 -7.449 -12.958 4.688 246 1HE MET 30 HE1 MET 30 -6.647 -15.519 4.529 247 2HE MET 30 HE2 MET 30 -5.051 -15.047 3.947 248 3HE MET 30 HE3 MET 30 -5.993 -16.249 3.065 249 H ARG 31 HN ARG 31 -9.180 -8.650 4.883 250 HA ARG 31 HA ARG 31 -10.199 -10.076 7.209 251 1HB ARG 31 HB2 ARG 31 -10.761 -7.368 6.004 252 2HB ARG 31 HB1 ARG 31 -11.665 -8.002 7.369 253 1HG ARG 31 HG2 ARG 31 -9.689 -8.037 8.731 254 2HG ARG 31 HG1 ARG 31 -8.685 -7.589 7.351 255 1HD ARG 31 HD2 ARG 31 -9.609 -5.429 7.242 256 2HD ARG 31 HD1 ARG 31 -10.948 -5.862 8.297 257 HE ARG 31 HE ARG 31 -8.595 -6.207 9.750 258 1HH1 ARG 31 HH11 ARG 31 -10.377 -3.604 8.233 259 2HH1 ARG 31 HH12 ARG 31 -9.851 -2.401 9.368 260 1HH2 ARG 31 HH21 ARG 31 -7.925 -4.621 11.283 261 2HH2 ARG 31 HH22 ARG 31 -8.468 -2.982 11.097 262 H ASN 32 HN ASN 32 -12.676 -9.953 7.426 263 HA ASN 32 HA ASN 32 -14.656 -10.891 6.821 264 1HB ASN 32 HB2 ASN 32 -14.614 -8.686 5.502 265 2HB ASN 32 HB1 ASN 32 -14.223 -9.667 4.094 266 1HD2 ASN 32 HD21 ASN 32 -16.543 -8.007 4.622 267 2HD2 ASN 32 HD22 ASN 32 -17.921 -9.049 4.488 268 H ASN 33 HN ASN 33 -12.969 -12.797 6.857 269 HA ASN 33 HA ASN 33 -12.495 -14.899 6.167 270 1HB ASN 33 HB2 ASN 33 -14.678 -14.398 4.131 271 2HB ASN 33 HB1 ASN 33 -13.953 -15.967 4.472 272 1HD2 ASN 33 HD21 ASN 33 -16.108 -13.508 5.572 273 2HD2 ASN 33 HD22 ASN 33 -16.781 -14.391 6.898 274 H GLY 34 HN GLY 34 -11.664 -12.283 4.486 275 1HA GLY 34 HA2 GLY 34 -9.593 -12.298 3.273 276 2HA GLY 34 HA1 GLY 34 -10.028 -13.875 2.635 277 H LYS 35 HN LYS 35 -12.084 -11.008 2.813 278 HA LYS 35 HA LYS 35 -12.117 -10.952 -0.137 279 1HB LYS 35 HB2 LYS 35 -14.270 -10.110 1.812 280 2HB LYS 35 HB1 LYS 35 -14.357 -9.893 0.071 281 1HG LYS 35 HG2 LYS 35 -14.262 -12.494 1.570 282 2HG LYS 35 HG1 LYS 35 -15.640 -11.814 0.700 283 1HD LYS 35 HD2 LYS 35 -14.214 -11.899 -1.384 284 2HD LYS 35 HD1 LYS 35 -13.052 -12.846 -0.453 285 1HE LYS 35 HE2 LYS 35 -14.404 -14.395 -1.636 286 2HE LYS 35 HE1 LYS 35 -14.931 -14.448 0.047 287 1HZ LYS 35 HZ1 LYS 35 -16.274 -12.978 -2.161 288 2HZ LYS 35 HZ2 LYS 35 -16.779 -12.979 -0.540 289 3HZ LYS 35 HZ3 LYS 35 -16.820 -14.413 -1.440 290 H VAL 36 HN VAL 36 -11.338 -9.238 2.691 291 HA VAL 36 HA VAL 36 -11.033 -6.751 1.146 292 HB VAL 36 HB VAL 36 -11.860 -7.072 4.032 293 1HG1 VAL 36 HG11 VAL 36 -11.864 -4.622 4.158 294 2HG1 VAL 36 HG12 VAL 36 -11.175 -4.540 2.537 295 3HG1 VAL 36 HG13 VAL 36 -10.246 -5.252 3.856 296 1HG2 VAL 36 HG21 VAL 36 -13.852 -5.842 3.344 297 2HG2 VAL 36 HG22 VAL 36 -13.662 -7.321 2.402 298 3HG2 VAL 36 HG23 VAL 36 -13.240 -5.762 1.692 299 H MET 37 HN MET 37 -9.004 -6.130 0.951 300 HA MET 37 HA MET 37 -6.985 -7.315 2.675 301 1HB MET 37 HB2 MET 37 -7.049 -6.159 -0.015 302 2HB MET 37 HB1 MET 37 -5.666 -5.621 0.932 303 1HG MET 37 HG2 MET 37 -5.159 -7.601 -0.411 304 2HG MET 37 HG1 MET 37 -4.982 -7.899 1.316 305 1HE MET 37 HE1 MET 37 -4.936 -10.526 0.806 306 2HE MET 37 HE2 MET 37 -5.128 -10.182 -0.912 307 3HE MET 37 HE3 MET 37 -6.186 -11.352 -0.124 308 H ASP 38 HN ASP 38 -6.473 -6.383 4.459 309 HA ASP 38 HA ASP 38 -6.903 -3.521 4.796 310 1HB ASP 38 HB2 ASP 38 -7.745 -5.131 6.487 311 2HB ASP 38 HB1 ASP 38 -6.093 -5.648 6.793 312 H LEU 39 HN LEU 39 -5.317 -2.307 4.117 313 HA LEU 39 HA LEU 39 -2.592 -3.284 3.978 314 1HB LEU 39 HB2 LEU 39 -3.967 -0.764 3.060 315 2HB LEU 39 HB1 LEU 39 -2.220 -0.892 3.047 316 HG LEU 39 HG LEU 39 -2.231 -2.539 1.374 317 1HD1 LEU 39 HD11 LEU 39 -4.023 -3.962 2.187 318 2HD1 LEU 39 HD12 LEU 39 -4.251 -3.578 0.480 319 3HD1 LEU 39 HD13 LEU 39 -5.215 -2.756 1.706 320 1HD2 LEU 39 HD21 LEU 39 -4.392 -0.542 0.728 321 2HD2 LEU 39 HD22 LEU 39 -3.440 -1.454 -0.444 322 3HD2 LEU 39 HD23 LEU 39 -2.656 -0.266 0.597 323 H VAL 40 HN VAL 40 -1.443 -3.236 5.765 324 HA VAL 40 HA VAL 40 -1.971 -1.076 7.685 325 HB VAL 40 HB VAL 40 -1.295 -3.973 8.203 326 1HG1 VAL 40 HG11 VAL 40 -1.490 -1.706 10.180 327 2HG1 VAL 40 HG12 VAL 40 -0.025 -2.583 9.742 328 3HG1 VAL 40 HG13 VAL 40 -1.332 -3.414 10.585 329 1HG2 VAL 40 HG21 VAL 40 -3.411 -3.948 9.434 330 2HG2 VAL 40 HG22 VAL 40 -3.633 -3.538 7.733 331 3HG2 VAL 40 HG23 VAL 40 -3.660 -2.269 8.958 332 H HIS 41 HN HIS 41 -0.334 0.261 7.839 333 HA HIS 41 HA HIS 41 1.681 0.966 8.585 334 1HB HIS 41 HB2 HIS 41 1.743 -1.248 9.837 335 2HB HIS 41 HB1 HIS 41 2.679 -1.877 8.493 336 HD1 HIS 41 HD1 HIS 41 3.080 -0.392 11.707 337 HD2 HIS 41 HD2 HIS 41 5.176 -0.215 8.115 338 HE1 HIS 41 HE1 HIS 41 5.399 0.374 12.309 339 HE2 HIS 41 HE2 HIS 41 6.711 0.188 10.167 340 H THR 42 HN THR 42 2.060 2.107 6.731 341 HA THR 42 HA THR 42 3.775 0.896 4.715 342 HB THR 42 HB THR 42 2.145 2.607 3.947 343 HG1 THR 42 HG1 THR 42 3.574 3.181 2.515 344 1HG2 THR 42 HG21 THR 42 3.747 4.493 5.685 345 2HG2 THR 42 HG22 THR 42 2.072 4.003 5.952 346 3HG2 THR 42 HG23 THR 42 2.493 4.970 4.538 347 H TYR 43 HN TYR 43 5.978 1.128 4.703 348 HA TYR 43 HA TYR 43 7.109 3.082 6.558 349 1HB TYR 43 HB2 TYR 43 6.997 0.639 7.497 350 2HB TYR 43 HB1 TYR 43 8.375 0.371 6.430 351 HD1 TYR 43 HD1 TYR 43 7.282 3.125 8.673 352 HD2 TYR 43 HD2 TYR 43 10.397 0.441 7.590 353 HE1 TYR 43 HE1 TYR 43 8.730 4.151 10.355 354 HE2 TYR 43 HE2 TYR 43 11.865 1.458 9.285 355 HH TYR 43 HH TYR 43 12.119 3.435 10.545 356 H VAL 44 HN VAL 44 9.040 3.921 5.972 357 HA VAL 44 HA VAL 44 10.491 2.934 3.696 358 HB VAL 44 HB VAL 44 8.630 4.138 2.605 359 1HG1 VAL 44 HG11 VAL 44 9.642 6.540 4.108 360 2HG1 VAL 44 HG12 VAL 44 8.068 5.763 4.280 361 3HG1 VAL 44 HG13 VAL 44 8.483 6.591 2.778 362 1HG2 VAL 44 HG21 VAL 44 11.300 5.495 2.350 363 2HG2 VAL 44 HG22 VAL 44 9.982 5.615 1.184 364 3HG2 VAL 44 HG23 VAL 44 10.757 4.058 1.483 365 HA PRO 45 HA PRO 45 13.498 4.986 6.276 366 1HB PRO 45 HB2 PRO 45 15.701 4.477 4.816 367 2HB PRO 45 HB1 PRO 45 14.869 3.216 5.735 368 1HG PRO 45 HG2 PRO 45 14.720 3.841 2.813 369 2HG PRO 45 HG1 PRO 45 14.832 2.263 3.615 370 1HD PRO 45 HD2 PRO 45 12.490 3.309 2.683 371 2HD PRO 45 HD1 PRO 45 12.582 2.188 4.055 372 H SER 46 HN SER 46 15.345 6.549 5.980 373 HA SER 46 HA SER 46 14.510 8.952 4.901 374 1HB SER 46 HB2 SER 46 16.208 8.845 6.618 375 2HB SER 46 HB1 SER 46 17.301 7.976 5.543 376 HG SER 46 HG SER 46 17.679 9.788 4.417 377 H PHE 47 HN PHE 47 16.075 6.319 3.327 378 HA PHE 47 HA PHE 47 17.321 7.638 1.193 379 1HB PHE 47 HB2 PHE 47 16.152 4.864 1.381 380 2HB PHE 47 HB1 PHE 47 17.162 5.418 0.049 381 HD1 PHE 47 HD1 PHE 47 17.106 4.541 3.618 382 HD2 PHE 47 HD2 PHE 47 19.527 5.651 0.297 383 HE1 PHE 47 HE1 PHE 47 19.119 3.903 4.876 384 HE2 PHE 47 HE2 PHE 47 21.545 5.009 1.551 385 HZ PHE 47 HZ PHE 47 21.342 4.136 3.842 386 H LYS 48 HN LYS 48 13.974 6.707 1.695 387 HA LYS 48 HA LYS 48 13.354 7.645 -1.032 388 1HB LYS 48 HB2 LYS 48 12.062 5.362 0.453 389 2HB LYS 48 HB1 LYS 48 11.559 5.966 -1.115 390 1HG LYS 48 HG2 LYS 48 13.511 5.148 -2.162 391 2HG LYS 48 HG1 LYS 48 14.298 4.840 -0.607 392 1HD LYS 48 HD2 LYS 48 12.898 3.033 -0.124 393 2HD LYS 48 HD1 LYS 48 11.707 3.517 -1.330 394 1HE LYS 48 HE2 LYS 48 12.906 1.572 -2.087 395 2HE LYS 48 HE1 LYS 48 13.303 2.953 -3.105 396 1HZ LYS 48 HZ1 LYS 48 14.984 1.850 -0.913 397 2HZ LYS 48 HZ2 LYS 48 15.369 3.205 -1.860 398 3HZ LYS 48 HZ3 LYS 48 15.259 1.678 -2.584 399 H ARG 49 HN ARG 49 13.119 8.676 1.929 400 HA ARG 49 HA ARG 49 10.336 8.902 2.430 401 1HB ARG 49 HB2 ARG 49 10.963 10.566 4.133 402 2HB ARG 49 HB1 ARG 49 11.924 9.101 4.252 403 1HG ARG 49 HG2 ARG 49 13.814 10.167 3.259 404 2HG ARG 49 HG1 ARG 49 12.862 11.609 2.881 405 1HD ARG 49 HD2 ARG 49 12.513 11.972 5.297 406 2HD ARG 49 HD1 ARG 49 13.535 10.575 5.633 407 HE ARG 49 HE ARG 49 14.721 12.696 4.030 408 1HH1 ARG 49 HH11 ARG 49 14.291 11.305 7.220 409 2HH1 ARG 49 HH12 ARG 49 15.752 12.000 7.851 410 1HH2 ARG 49 HH21 ARG 49 16.633 13.635 4.877 411 2HH2 ARG 49 HH22 ARG 49 17.080 13.313 6.523 412 H GLY 50 HN GLY 50 8.875 10.241 1.629 413 1HA GLY 50 HA2 GLY 50 7.978 12.204 0.782 414 2HA GLY 50 HA1 GLY 50 9.595 12.883 0.718 415 H LEU 51 HN LEU 51 10.071 10.083 -0.793 416 HA LEU 51 HA LEU 51 9.946 11.347 -3.379 417 1HB LEU 51 HB2 LEU 51 10.760 8.539 -2.642 418 2HB LEU 51 HB1 LEU 51 10.959 9.270 -4.222 419 HG LEU 51 HG LEU 51 12.382 10.036 -1.673 420 1HD1 LEU 51 HD11 LEU 51 14.374 9.383 -2.879 421 2HD1 LEU 51 HD12 LEU 51 13.420 9.030 -4.319 422 3HD1 LEU 51 HD13 LEU 51 13.222 8.048 -2.869 423 1HD2 LEU 51 HD21 LEU 51 11.780 12.048 -2.958 424 2HD2 LEU 51 HD22 LEU 51 12.559 11.355 -4.381 425 3HD2 LEU 51 HD23 LEU 51 13.518 11.753 -2.956 426 H GLY 52 HN GLY 52 8.137 8.860 -1.668 427 1HA GLY 52 HA2 GLY 52 5.761 8.836 -2.633 428 2HA GLY 52 HA1 GLY 52 6.584 8.431 -4.130 429 H LEU 53 HN LEU 53 8.535 6.795 -2.425 430 HA LEU 53 HA LEU 53 7.577 4.364 -3.309 431 1HB LEU 53 HB2 LEU 53 9.937 5.027 -2.640 432 2HB LEU 53 HB1 LEU 53 9.473 4.659 -0.990 433 HG LEU 53 HG LEU 53 10.733 2.873 -2.392 434 1HD1 LEU 53 HD11 LEU 53 9.572 1.063 -1.242 435 2HD1 LEU 53 HD12 LEU 53 8.231 2.151 -0.878 436 3HD1 LEU 53 HD13 LEU 53 9.822 2.448 -0.178 437 1HD2 LEU 53 HD21 LEU 53 9.282 3.010 -4.354 438 2HD2 LEU 53 HD22 LEU 53 7.917 2.457 -3.382 439 3HD2 LEU 53 HD23 LEU 53 9.290 1.387 -3.666 440 H ALA 54 HN ALA 54 7.194 5.778 -0.075 441 HA ALA 54 HA ALA 54 6.137 3.566 1.242 442 1HB ALA 54 HB1 ALA 54 6.767 5.651 2.367 443 2HB ALA 54 HB2 ALA 54 5.126 5.155 2.787 444 3HB ALA 54 HB3 ALA 54 5.384 6.462 1.631 445 H SER 55 HN SER 55 4.459 6.086 -0.590 446 HA SER 55 HA SER 55 1.891 4.959 -0.425 447 1HB SER 55 HB2 SER 55 2.983 6.770 -2.589 448 2HB SER 55 HB1 SER 55 1.293 6.571 -2.123 449 HG SER 55 HG SER 55 1.779 8.268 -0.937 450 H HIS 56 HN HIS 56 4.578 4.500 -2.668 451 HA HIS 56 HA HIS 56 3.220 3.087 -4.678 452 1HB HIS 56 HB2 HIS 56 6.087 3.069 -3.773 453 2HB HIS 56 HB1 HIS 56 5.534 1.900 -4.963 454 HD1 HIS 56 HD1 HIS 56 4.443 2.993 -7.191 455 HD2 HIS 56 HD2 HIS 56 6.785 5.479 -4.814 456 HE1 HIS 56 HE1 HIS 56 5.088 4.938 -8.658 457 HE2 HIS 56 HE2 HIS 56 6.455 6.458 -7.182 458 H LEU 57 HN LEU 57 4.471 2.079 -1.574 459 HA LEU 57 HA LEU 57 4.140 -0.714 -1.934 460 1HB LEU 57 HB2 LEU 57 4.058 0.922 0.609 461 2HB LEU 57 HB1 LEU 57 4.234 -0.820 0.524 462 HG LEU 57 HG LEU 57 6.231 1.053 -0.731 463 1HD1 LEU 57 HD11 LEU 57 6.300 -0.160 2.024 464 2HD1 LEU 57 HD12 LEU 57 6.095 1.551 1.652 465 3HD1 LEU 57 HD13 LEU 57 7.607 0.737 1.253 466 1HD2 LEU 57 HD21 LEU 57 6.366 -1.840 0.108 467 2HD2 LEU 57 HD22 LEU 57 7.695 -0.903 -0.576 468 3HD2 LEU 57 HD23 LEU 57 6.260 -1.239 -1.547 469 H CYS 58 HN CYS 58 2.060 1.836 -0.660 470 HA CYS 58 HA CYS 58 -0.164 0.214 -0.041 471 1HB CYS 58 HB2 CYS 58 0.114 2.543 0.761 472 2HB CYS 58 HB1 CYS 58 -0.139 3.123 -0.891 473 HG CYS 58 HG CYS 58 -2.752 1.590 -0.744 474 H VAL 59 HN VAL 59 0.778 1.954 -2.960 475 HA VAL 59 HA VAL 59 -1.525 1.406 -4.476 476 HB VAL 59 HB VAL 59 1.305 1.965 -5.372 477 1HG1 VAL 59 HG11 VAL 59 -1.242 1.948 -6.995 478 2HG1 VAL 59 HG12 VAL 59 0.112 0.830 -7.165 479 3HG1 VAL 59 HG13 VAL 59 0.322 2.537 -7.558 480 1HG2 VAL 59 HG21 VAL 59 0.297 3.769 -4.106 481 2HG2 VAL 59 HG22 VAL 59 -1.125 3.730 -5.148 482 3HG2 VAL 59 HG23 VAL 59 0.437 4.216 -5.807 483 H ALA 60 HN ALA 60 1.474 -0.403 -4.012 484 HA ALA 60 HA ALA 60 1.027 -2.320 -6.022 485 1HB ALA 60 HB1 ALA 60 3.203 -1.987 -4.922 486 2HB ALA 60 HB2 ALA 60 2.693 -3.674 -4.882 487 3HB ALA 60 HB3 ALA 60 2.550 -2.674 -3.437 488 H ALA 61 HN ALA 61 -0.095 -2.136 -2.649 489 HA ALA 61 HA ALA 61 -1.239 -4.738 -2.651 490 1HB ALA 61 HB1 ALA 61 -1.967 -2.319 -1.008 491 2HB ALA 61 HB2 ALA 61 -0.765 -3.538 -0.584 492 3HB ALA 61 HB3 ALA 61 -2.471 -3.979 -0.687 493 H PHE 62 HN PHE 62 -2.372 -1.519 -3.535 494 HA PHE 62 HA PHE 62 -5.025 -2.166 -4.157 495 1HB PHE 62 HB2 PHE 62 -3.152 -0.112 -5.332 496 2HB PHE 62 HB1 PHE 62 -4.820 -0.279 -5.863 497 HD1 PHE 62 HD1 PHE 62 -6.288 -0.658 -3.384 498 HD2 PHE 62 HD2 PHE 62 -2.966 1.875 -4.211 499 HE1 PHE 62 HE1 PHE 62 -6.979 0.828 -1.534 500 HE2 PHE 62 HE2 PHE 62 -3.661 3.378 -2.382 501 HZ PHE 62 HZ PHE 62 -5.748 2.912 -1.128 502 H GLU 63 HN GLU 63 -2.120 -2.159 -6.192 503 HA GLU 63 HA GLU 63 -3.216 -3.009 -8.590 504 1HB GLU 63 HB2 GLU 63 -0.524 -3.808 -7.456 505 2HB GLU 63 HB1 GLU 63 -0.987 -3.866 -9.150 506 1HG GLU 63 HG2 GLU 63 -1.264 -1.401 -9.090 507 2HG GLU 63 HG1 GLU 63 -0.647 -1.412 -7.446 508 H HIS 64 HN HIS 64 -2.280 -4.870 -5.772 509 HA HIS 64 HA HIS 64 -2.465 -7.413 -7.065 510 1HB HIS 64 HB2 HIS 64 -1.046 -6.898 -5.058 511 2HB HIS 64 HB1 HIS 64 -2.518 -6.810 -4.102 512 HD1 HIS 64 HD1 HIS 64 -0.296 -9.245 -5.891 513 HD2 HIS 64 HD2 HIS 64 -3.632 -9.265 -3.407 514 HE1 HIS 64 HE1 HIS 64 -0.596 -11.637 -5.172 515 HE2 HIS 64 HE2 HIS 64 -2.775 -11.653 -3.909 516 H ALA 65 HN ALA 65 -4.529 -5.658 -4.759 517 HA ALA 65 HA ALA 65 -6.494 -7.702 -4.656 518 1HB ALA 65 HB1 ALA 65 -7.867 -6.079 -3.485 519 2HB ALA 65 HB2 ALA 65 -6.750 -4.792 -3.938 520 3HB ALA 65 HB3 ALA 65 -6.218 -6.085 -2.863 521 H SER 66 HN SER 66 -6.452 -4.530 -6.337 522 HA SER 66 HA SER 66 -8.903 -4.747 -7.619 523 1HB SER 66 HB2 SER 66 -7.970 -3.216 -9.347 524 2HB SER 66 HB1 SER 66 -7.614 -2.688 -7.702 525 HG SER 66 HG SER 66 -5.528 -3.314 -7.934 526 H SER 67 HN SER 67 -5.824 -6.176 -8.530 527 HA SER 67 HA SER 67 -6.566 -7.084 -11.088 528 1HB SER 67 HB2 SER 67 -4.222 -6.925 -10.273 529 2HB SER 67 HB1 SER 67 -4.530 -8.280 -9.187 530 HG SER 67 HG SER 67 -4.075 -8.240 -11.913 531 H HIS 68 HN HIS 68 -7.089 -8.379 -7.878 532 HA HIS 68 HA HIS 68 -8.098 -10.889 -9.041 533 1HB HIS 68 HB2 HIS 68 -6.242 -10.856 -7.265 534 2HB HIS 68 HB1 HIS 68 -7.501 -10.391 -6.127 535 HD1 HIS 68 HD1 HIS 68 -6.511 -13.249 -8.387 536 HD2 HIS 68 HD2 HIS 68 -9.019 -12.473 -5.161 537 HE1 HIS 68 HE1 HIS 68 -7.351 -15.496 -7.624 538 HE2 HIS 68 HE2 HIS 68 -8.934 -15.000 -5.721 539 H SER 69 HN SER 69 -9.381 -8.060 -8.435 540 HA SER 69 HA SER 69 -11.466 -7.270 -7.991 541 1HB SER 69 HB2 SER 69 -12.267 -10.189 -7.933 542 2HB SER 69 HB1 SER 69 -13.366 -8.818 -8.061 543 HG SER 69 HG SER 69 -11.378 -8.788 -9.952 544 H ILE 70 HN ILE 70 -9.662 -7.647 -5.836 545 HA ILE 70 HA ILE 70 -11.354 -8.534 -3.611 546 HB ILE 70 HB ILE 70 -8.438 -7.729 -3.535 547 1HG1 ILE 70 HG12 ILE 70 -9.628 -10.509 -3.706 548 2HG1 ILE 70 HG11 ILE 70 -8.795 -9.679 -5.017 549 1HG2 ILE 70 HG21 ILE 70 -8.406 -8.944 -1.409 550 2HG2 ILE 70 HG22 ILE 70 -10.131 -9.269 -1.569 551 3HG2 ILE 70 HG23 ILE 70 -9.560 -7.611 -1.377 552 1HD1 ILE 70 HD11 ILE 70 -7.580 -10.475 -2.381 553 2HD1 ILE 70 HD12 ILE 70 -6.744 -9.655 -3.700 554 3HD1 ILE 70 HD13 ILE 70 -7.347 -11.297 -3.925 555 H SER 71 HN SER 71 -11.702 -7.171 -1.788 556 HA SER 71 HA SER 71 -11.713 -4.319 -2.412 557 1HB SER 71 HB2 SER 71 -13.769 -5.425 -1.513 558 2HB SER 71 HB1 SER 71 -12.889 -5.794 -0.032 559 HG SER 71 HG SER 71 -13.235 -3.161 -1.040 560 H ILE 72 HN ILE 72 -11.081 -2.846 -0.477 561 HA ILE 72 HA ILE 72 -8.794 -3.933 1.001 562 HB ILE 72 HB ILE 72 -8.626 -1.673 -1.014 563 1HG1 ILE 72 HG12 ILE 72 -7.259 -4.345 -0.771 564 2HG1 ILE 72 HG11 ILE 72 -8.279 -3.767 -2.084 565 1HG2 ILE 72 HG21 ILE 72 -6.299 -1.338 -0.312 566 2HG2 ILE 72 HG22 ILE 72 -6.558 -2.458 1.026 567 3HG2 ILE 72 HG23 ILE 72 -7.452 -0.941 0.963 568 1HD1 ILE 72 HD11 ILE 72 -5.571 -2.665 -1.382 569 2HD1 ILE 72 HD12 ILE 72 -6.590 -2.171 -2.734 570 3HD1 ILE 72 HD13 ILE 72 -5.914 -3.797 -2.690 571 H ILE 73 HN ILE 73 -8.128 -2.680 2.741 572 HA ILE 73 HA ILE 73 -9.494 -0.146 3.349 573 HB ILE 73 HB ILE 73 -9.300 -2.565 5.160 574 1HG1 ILE 73 HG12 ILE 73 -11.323 -2.356 3.793 575 2HG1 ILE 73 HG11 ILE 73 -11.691 -2.168 5.506 576 1HG2 ILE 73 HG21 ILE 73 -9.990 -1.146 7.037 577 2HG2 ILE 73 HG22 ILE 73 -9.838 0.280 6.009 578 3HG2 ILE 73 HG23 ILE 73 -8.408 -0.677 6.408 579 1HD1 ILE 73 HD11 ILE 73 -11.448 0.042 3.476 580 2HD1 ILE 73 HD12 ILE 73 -11.751 0.272 5.198 581 3HD1 ILE 73 HD13 ILE 73 -12.936 -0.570 4.198 582 HA PRO 74 HA PRO 74 -5.107 0.358 4.096 583 1HB PRO 74 HB2 PRO 74 -5.100 3.040 3.507 584 2HB PRO 74 HB1 PRO 74 -5.052 1.747 2.308 585 1HG PRO 74 HG2 PRO 74 -7.174 3.623 2.824 586 2HG PRO 74 HG1 PRO 74 -7.099 2.370 1.576 587 1HD PRO 74 HD2 PRO 74 -8.450 2.333 4.200 588 2HD PRO 74 HD1 PRO 74 -8.767 1.355 2.752 589 H SER 75 HN SER 75 -4.754 0.138 6.285 590 HA SER 75 HA SER 75 -5.281 2.256 8.166 591 1HB SER 75 HB2 SER 75 -5.015 -0.135 8.849 592 2HB SER 75 HB1 SER 75 -3.321 -0.051 8.368 593 HG SER 75 HG SER 75 -3.672 0.293 10.636 594 H CYS 76 HN CYS 76 -2.939 1.465 5.843 595 HA CYS 76 HA CYS 76 -0.799 3.139 6.492 596 1HB CYS 76 HB2 CYS 76 -1.743 2.436 3.708 597 2HB CYS 76 HB1 CYS 76 -0.136 2.959 4.188 598 HG CYS 76 HG CYS 76 -0.513 0.094 3.593 599 H SER 77 HN SER 77 -3.514 4.359 6.792 600 HA SER 77 HA SER 77 -4.423 5.948 4.777 601 1HB SER 77 HB2 SER 77 -4.579 6.858 7.626 602 2HB SER 77 HB1 SER 77 -5.815 6.910 6.370 603 HG SER 77 HG SER 77 -5.805 4.553 6.487 604 H TYR 78 HN TYR 78 -1.466 6.621 6.489 605 HA TYR 78 HA TYR 78 -1.253 9.367 5.990 606 1HB TYR 78 HB2 TYR 78 0.759 8.771 6.873 607 2HB TYR 78 HB1 TYR 78 0.620 7.118 6.286 608 HD1 TYR 78 HD1 TYR 78 1.654 10.554 5.303 609 HD2 TYR 78 HD2 TYR 78 1.788 6.407 4.366 610 HE1 TYR 78 HE1 TYR 78 3.330 11.004 3.557 611 HE2 TYR 78 HE2 TYR 78 3.461 6.839 2.624 612 HH TYR 78 HH TYR 78 4.149 8.771 1.188 613 H VAL 79 HN VAL 79 -0.716 6.585 3.875 614 HA VAL 79 HA VAL 79 -0.335 8.022 1.468 615 HB VAL 79 HB VAL 79 -1.438 5.228 1.849 616 1HG1 VAL 79 HG11 VAL 79 -0.697 4.823 -0.433 617 2HG1 VAL 79 HG12 VAL 79 -0.164 6.499 -0.569 618 3HG1 VAL 79 HG13 VAL 79 -1.878 6.133 -0.375 619 1HG2 VAL 79 HG21 VAL 79 0.853 4.459 1.463 620 2HG2 VAL 79 HG22 VAL 79 0.738 5.465 2.908 621 3HG2 VAL 79 HG23 VAL 79 1.405 6.134 1.419 622 H SER 80 HN SER 80 -3.143 6.568 3.033 623 HA SER 80 HA SER 80 -4.983 6.890 0.966 624 1HB SER 80 HB2 SER 80 -5.603 7.095 3.915 625 2HB SER 80 HB1 SER 80 -6.690 6.570 2.628 626 HG SER 80 HG SER 80 -5.598 4.701 2.445 627 H ASP 81 HN ASP 81 -4.062 9.127 3.517 628 HA ASP 81 HA ASP 81 -6.177 10.960 3.072 629 1HB ASP 81 HB2 ASP 81 -5.136 10.880 5.231 630 2HB ASP 81 HB1 ASP 81 -3.547 11.201 4.544 631 H THR 82 HN THR 82 -2.747 11.015 2.173 632 HA THR 82 HA THR 82 -3.176 13.460 0.662 633 HB THR 82 HB THR 82 -1.142 13.373 1.976 634 HG1 THR 82 HG1 THR 82 -0.466 14.579 0.385 635 1HG2 THR 82 HG21 THR 82 -0.346 11.030 0.249 636 2HG2 THR 82 HG22 THR 82 -0.713 10.977 1.972 637 3HG2 THR 82 HG23 THR 82 0.704 11.857 1.399 638 H PHE 83 HN PHE 83 -2.177 10.108 -0.014 639 HA PHE 83 HA PHE 83 -1.580 10.683 -2.745 640 1HB PHE 83 HB2 PHE 83 -0.623 8.851 -1.163 641 2HB PHE 83 HB1 PHE 83 -1.995 7.904 -1.732 642 HD1 PHE 83 HD1 PHE 83 -1.554 6.478 -3.433 643 HD2 PHE 83 HD2 PHE 83 0.567 10.162 -3.262 644 HE1 PHE 83 HE1 PHE 83 -0.295 5.842 -5.447 645 HE2 PHE 83 HE2 PHE 83 1.830 9.528 -5.276 646 HZ PHE 83 HZ PHE 83 1.340 7.459 -6.433 647 H LEU 84 HN LEU 84 -4.326 9.165 -1.099 648 HA LEU 84 HA LEU 84 -5.432 8.076 -3.471 649 1HB LEU 84 HB2 LEU 84 -6.518 8.594 -0.742 650 2HB LEU 84 HB1 LEU 84 -7.598 8.113 -2.038 651 HG LEU 84 HG LEU 84 -5.152 6.517 -1.274 652 1HD1 LEU 84 HD11 LEU 84 -6.664 5.022 -0.082 653 2HD1 LEU 84 HD12 LEU 84 -8.004 6.132 -0.376 654 3HD1 LEU 84 HD13 LEU 84 -6.655 6.630 0.643 655 1HD2 LEU 84 HD21 LEU 84 -7.628 5.822 -2.851 656 2HD2 LEU 84 HD22 LEU 84 -6.284 4.739 -2.493 657 3HD2 LEU 84 HD23 LEU 84 -6.031 6.146 -3.525 658 HA PRO 85 HA PRO 85 -8.038 12.171 -3.761 659 1HB PRO 85 HB2 PRO 85 -6.201 14.084 -2.476 660 2HB PRO 85 HB1 PRO 85 -7.960 13.968 -2.362 661 1HG PRO 85 HG2 PRO 85 -6.357 13.284 -0.325 662 2HG PRO 85 HG1 PRO 85 -7.881 12.440 -0.651 663 1HD PRO 85 HD2 PRO 85 -5.070 11.582 -1.249 664 2HD PRO 85 HD1 PRO 85 -6.458 10.621 -0.693 665 H ARG 86 HN ARG 86 -4.566 11.911 -3.695 666 HA ARG 86 HA ARG 86 -4.077 13.826 -5.763 667 1HB ARG 86 HB2 ARG 86 -2.405 13.120 -4.023 668 2HB ARG 86 HB1 ARG 86 -2.265 11.577 -4.855 669 1HG ARG 86 HG2 ARG 86 -1.512 12.771 -6.876 670 2HG ARG 86 HG1 ARG 86 -1.593 14.290 -5.980 671 1HD ARG 86 HD2 ARG 86 0.188 11.927 -5.416 672 2HD ARG 86 HD1 ARG 86 0.681 13.518 -5.992 673 HE ARG 86 HE ARG 86 -0.688 13.700 -3.500 674 1HH1 ARG 86 HH11 ARG 86 2.407 12.957 -4.958 675 2HH1 ARG 86 HH12 ARG 86 3.305 13.252 -3.498 676 1HH2 ARG 86 HH21 ARG 86 0.488 14.047 -1.574 677 2HH2 ARG 86 HH22 ARG 86 2.218 13.870 -1.584 678 H ASN 87 HN ASN 87 -4.385 10.302 -5.616 679 HA ASN 87 HA ASN 87 -4.863 10.310 -8.517 680 1HB ASN 87 HB2 ASN 87 -3.254 8.192 -7.073 681 2HB ASN 87 HB1 ASN 87 -3.655 8.202 -8.786 682 1HD2 ASN 87 HD21 ASN 87 -1.601 9.442 -6.320 683 2HD2 ASN 87 HD22 ASN 87 -0.501 10.289 -7.359 684 HA PRO 88 HA PRO 88 -8.255 8.187 -6.241 685 1HB PRO 88 HB2 PRO 88 -10.040 9.584 -8.060 686 2HB PRO 88 HB1 PRO 88 -9.950 9.683 -6.301 687 1HG PRO 88 HG2 PRO 88 -9.232 11.731 -7.940 688 2HG PRO 88 HG1 PRO 88 -8.498 11.462 -6.348 689 1HD PRO 88 HD2 PRO 88 -7.449 10.754 -9.064 690 2HD PRO 88 HD1 PRO 88 -6.590 11.433 -7.666 691 H SER 89 HN SER 89 -7.775 6.178 -7.121 692 HA SER 89 HA SER 89 -9.362 5.483 -9.471 693 1HB SER 89 HB2 SER 89 -7.058 6.034 -10.282 694 2HB SER 89 HB1 SER 89 -6.427 4.759 -9.243 695 HG SER 89 HG SER 89 -8.209 4.473 -11.442 696 H TRP 90 HN TRP 90 -8.912 4.965 -6.390 697 HA TRP 90 HA TRP 90 -8.870 2.028 -6.570 698 1HB TRP 90 HB2 TRP 90 -7.854 3.583 -4.205 699 2HB TRP 90 HB1 TRP 90 -7.592 1.887 -4.590 700 HD1 TRP 90 HD1 TRP 90 -5.899 5.128 -4.805 701 HE1 TRP 90 HE1 TRP 90 -3.872 5.019 -6.378 702 HE3 TRP 90 HE3 TRP 90 -6.908 0.678 -7.110 703 HZ2 TRP 90 HZ2 TRP 90 -2.833 3.274 -8.347 704 HZ3 TRP 90 HZ3 TRP 90 -5.347 -0.137 -8.832 705 HH2 TRP 90 HH2 TRP 90 -3.355 1.134 -9.435 706 H LYS 91 HN LYS 91 -10.937 4.410 -6.126 707 HA LYS 91 HA LYS 91 -12.320 3.933 -3.773 708 1HB LYS 91 HB2 LYS 91 -12.854 5.778 -5.309 709 2HB LYS 91 HB1 LYS 91 -13.495 4.625 -6.472 710 1HG LYS 91 HG2 LYS 91 -15.191 3.948 -4.794 711 2HG LYS 91 HG1 LYS 91 -14.591 5.217 -3.730 712 1HD LYS 91 HD2 LYS 91 -15.710 5.664 -6.496 713 2HD LYS 91 HD1 LYS 91 -16.607 5.885 -4.993 714 1HE LYS 91 HE2 LYS 91 -15.002 7.603 -4.298 715 2HE LYS 91 HE1 LYS 91 -14.118 7.383 -5.810 716 1HZ LYS 91 HZ1 LYS 91 -16.068 8.104 -7.022 717 2HZ LYS 91 HZ2 LYS 91 -15.605 9.289 -5.902 718 3HZ LYS 91 HZ3 LYS 91 -16.939 8.289 -5.580 719 HA PRO 92 HA PRO 92 -14.762 0.387 -6.183 720 1HB PRO 92 HB2 PRO 92 -13.067 -1.067 -7.794 721 2HB PRO 92 HB1 PRO 92 -14.240 0.117 -8.378 722 1HG PRO 92 HG2 PRO 92 -11.309 0.436 -7.870 723 2HG PRO 92 HG1 PRO 92 -12.287 1.055 -9.215 724 1HD PRO 92 HD2 PRO 92 -11.552 2.648 -7.210 725 2HD PRO 92 HD1 PRO 92 -13.165 2.787 -7.936 726 H LEU 93 HN LEU 93 -11.704 0.549 -4.753 727 HA LEU 93 HA LEU 93 -11.797 -2.279 -3.936 728 1HB LEU 93 HB2 LEU 93 -9.526 -0.336 -3.549 729 2HB LEU 93 HB1 LEU 93 -9.475 -2.085 -3.420 730 HG LEU 93 HG LEU 93 -9.948 -0.548 -5.971 731 1HD1 LEU 93 HD11 LEU 93 -7.494 -2.001 -4.982 732 2HD1 LEU 93 HD12 LEU 93 -7.673 -0.254 -5.141 733 3HD1 LEU 93 HD13 LEU 93 -7.694 -1.277 -6.578 734 1HD2 LEU 93 HD21 LEU 93 -9.515 -3.491 -5.447 735 2HD2 LEU 93 HD22 LEU 93 -9.629 -2.739 -7.040 736 3HD2 LEU 93 HD23 LEU 93 -11.024 -2.733 -5.960 737 H ILE 94 HN ILE 94 -11.434 1.007 -2.750 738 HA ILE 94 HA ILE 94 -11.834 0.057 0.015 739 HB ILE 94 HB ILE 94 -10.532 2.019 0.733 740 1HG1 ILE 94 HG12 ILE 94 -10.103 2.448 -2.231 741 2HG1 ILE 94 HG11 ILE 94 -11.031 3.491 -1.158 742 1HG2 ILE 94 HG21 ILE 94 -9.067 0.349 -1.298 743 2HG2 ILE 94 HG22 ILE 94 -9.387 -0.107 0.375 744 3HG2 ILE 94 HG23 ILE 94 -8.337 1.265 0.021 745 1HD1 ILE 94 HD11 ILE 94 -8.845 4.413 -1.614 746 2HD1 ILE 94 HD12 ILE 94 -8.084 2.955 -0.979 747 3HD1 ILE 94 HD13 ILE 94 -9.015 4.004 0.092 748 H HIS 95 HN HIS 95 -12.068 2.628 1.107 749 HA HIS 95 HA HIS 95 -14.638 3.581 0.247 750 1HB HIS 95 HB2 HIS 95 -12.591 4.501 2.263 751 2HB HIS 95 HB1 HIS 95 -13.963 5.524 1.849 752 HD1 HIS 95 HD1 HIS 95 -16.047 5.142 3.147 753 HD2 HIS 95 HD2 HIS 95 -13.413 1.939 3.421 754 HE1 HIS 95 HE1 HIS 95 -16.998 3.638 4.920 755 HE2 HIS 95 HE2 HIS 95 -15.477 1.624 4.947 756 H SER 96 HN SER 96 -12.392 5.990 0.972 757 HA SER 96 HA SER 96 -11.108 6.503 -1.468 758 1HB SER 96 HB2 SER 96 -13.652 8.045 -0.938 759 2HB SER 96 HB1 SER 96 -12.313 8.762 -1.838 760 HG SER 96 HG SER 96 -13.425 6.250 -2.522 761 H GLU 97 HN GLU 97 -9.361 7.624 -0.845 762 HA GLU 97 HA GLU 97 -7.937 8.890 0.382 763 1HB GLU 97 HB2 GLU 97 -9.718 10.619 -0.176 764 2HB GLU 97 HB1 GLU 97 -10.412 10.298 1.404 765 1HG GLU 97 HG2 GLU 97 -8.034 10.876 2.270 766 2HG GLU 97 HG1 GLU 97 -7.855 11.655 0.697 767 H VAL 98 HN VAL 98 -8.792 10.037 3.018 768 HA VAL 98 HA VAL 98 -8.425 7.572 4.530 769 HB VAL 98 HB VAL 98 -6.776 9.373 4.832 770 1HG1 VAL 98 HG11 VAL 98 -8.192 11.309 4.529 771 2HG1 VAL 98 HG12 VAL 98 -7.392 11.387 6.100 772 3HG1 VAL 98 HG13 VAL 98 -9.088 10.914 5.997 773 1HG2 VAL 98 HG21 VAL 98 -6.745 9.352 7.279 774 2HG2 VAL 98 HG22 VAL 98 -7.129 7.763 6.616 775 3HG2 VAL 98 HG23 VAL 98 -8.410 8.770 7.291 776 H PHE 99 HN PHE 99 -10.910 10.038 4.041 777 HA PHE 99 HA PHE 99 -12.728 8.954 5.869 778 1HB PHE 99 HB2 PHE 99 -11.020 9.585 7.550 779 2HB PHE 99 HB1 PHE 99 -11.128 11.256 7.020 780 HD1 PHE 99 HD1 PHE 99 -13.158 8.503 8.479 781 HD2 PHE 99 HD2 PHE 99 -12.629 12.703 8.032 782 HE1 PHE 99 HE1 PHE 99 -14.953 8.900 10.113 783 HE2 PHE 99 HE2 PHE 99 -14.421 13.105 9.669 784 HZ PHE 99 HZ PHE 99 -15.563 11.202 10.735 785 H LYS 100 HN LYS 100 -11.748 11.220 3.652 786 HA LYS 100 HA LYS 100 -13.227 13.468 3.910 787 1HB LYS 100 HB2 LYS 100 -13.331 13.573 1.432 788 2HB LYS 100 HB1 LYS 100 -11.732 13.161 2.033 789 1HG LYS 100 HG2 LYS 100 -11.770 11.090 1.130 790 2HG LYS 100 HG1 LYS 100 -13.502 10.889 1.391 791 1HD LYS 100 HD2 LYS 100 -13.343 10.992 -0.918 792 2HD LYS 100 HD1 LYS 100 -13.754 12.648 -0.488 793 1HE LYS 100 HE2 LYS 100 -10.943 11.686 -0.978 794 2HE LYS 100 HE1 LYS 100 -11.963 12.401 -2.221 795 1HZ LYS 100 HZ1 LYS 100 -10.689 13.671 0.104 796 2HZ LYS 100 HZ2 LYS 100 -12.147 14.318 -0.479 797 3HZ LYS 100 HZ3 LYS 100 -10.806 14.208 -1.506 798 H SER 101 HN SER 101 -14.488 10.299 2.925 799 HA SER 101 HA SER 101 -17.203 10.908 3.076 800 1HB SER 101 HB2 SER 101 -16.614 12.652 1.434 801 2HB SER 101 HB1 SER 101 -15.924 11.418 0.382 802 HG SER 101 HG SER 101 -18.648 11.398 1.220 803 H SER 102 HN SER 102 -17.522 9.766 0.239 804 HA SER 102 HA SER 102 -17.667 7.881 -0.935 805 1HB SER 102 HB2 SER 102 -15.896 6.200 -0.813 806 2HB SER 102 HB1 SER 102 -15.244 7.833 -0.870 807 HG SER 102 HG SER 102 -15.402 7.438 1.626 808 H ILE 103 HN ILE 103 -17.709 5.353 -0.696 809 HA ILE 103 HA ILE 103 -19.683 4.876 1.419 810 HB ILE 103 HB ILE 103 -20.740 4.673 -0.676 811 1HG1 ILE 103 HG12 ILE 103 -19.962 1.893 0.231 812 2HG1 ILE 103 HG11 ILE 103 -21.315 2.846 0.831 813 1HG2 ILE 103 HG21 ILE 103 -18.459 2.940 -1.611 814 2HG2 ILE 103 HG22 ILE 103 -18.756 4.613 -2.085 815 3HG2 ILE 103 HG23 ILE 103 -19.896 3.350 -2.546 816 1HD1 ILE 103 HD11 ILE 103 -22.351 2.746 -1.385 817 2HD1 ILE 103 HD12 ILE 103 -22.073 1.142 -0.708 818 3HD1 ILE 103 HD13 ILE 103 -21.002 1.767 -1.961 Start of MODEL 7 1 1H MET 1 HT1 MET 1 10.977 11.586 -11.265 2 2H MET 1 HT2 MET 1 11.579 10.613 -12.518 3 3H MET 1 HT3 MET 1 10.129 10.197 -11.740 4 HA MET 1 HA MET 1 9.059 12.166 -12.581 5 1HB MET 1 HB2 MET 1 11.718 12.602 -13.946 6 2HB MET 1 HB1 MET 1 10.244 13.458 -14.373 7 1HG MET 1 HG2 MET 1 11.680 13.552 -11.732 8 2HG MET 1 HG1 MET 1 11.604 14.829 -12.946 9 1HE MET 1 HE1 MET 1 10.945 15.425 -9.947 10 2HE MET 1 HE2 MET 1 9.457 16.366 -10.080 11 3HE MET 1 HE3 MET 1 10.777 16.633 -11.218 12 H ALA 2 HN ALA 2 11.236 9.896 -14.174 13 HA ALA 2 HA ALA 2 9.326 9.551 -16.367 14 1HB ALA 2 HB1 ALA 2 11.067 8.183 -17.404 15 2HB ALA 2 HB2 ALA 2 12.068 8.356 -15.962 16 3HB ALA 2 HB3 ALA 2 11.689 9.769 -16.948 17 H THR 3 HN THR 3 9.251 8.570 -13.416 18 HA THR 3 HA THR 3 8.406 6.833 -12.256 19 HB THR 3 HB THR 3 7.518 5.714 -14.925 20 HG1 THR 3 HG1 THR 3 6.554 7.666 -14.891 21 1HG2 THR 3 HG21 THR 3 5.736 4.668 -13.614 22 2HG2 THR 3 HG22 THR 3 6.402 5.361 -12.137 23 3HG2 THR 3 HG23 THR 3 7.318 4.151 -13.033 24 H GLU 4 HN GLU 4 10.644 6.363 -11.812 25 HA GLU 4 HA GLU 4 11.981 4.240 -13.214 26 1HB GLU 4 HB2 GLU 4 13.094 6.129 -11.925 27 2HB GLU 4 HB1 GLU 4 12.588 5.311 -10.454 28 1HG GLU 4 HG2 GLU 4 14.860 4.758 -10.877 29 2HG GLU 4 HG1 GLU 4 13.881 3.323 -11.183 30 HA PRO 5 HA PRO 5 9.592 1.141 -11.044 31 1HB PRO 5 HB2 PRO 5 10.702 -1.021 -12.242 32 2HB PRO 5 HB1 PRO 5 9.513 0.009 -13.044 33 1HG PRO 5 HG2 PRO 5 12.486 -0.022 -13.322 34 2HG PRO 5 HG1 PRO 5 11.245 0.157 -14.575 35 1HD PRO 5 HD2 PRO 5 12.638 2.257 -13.536 36 2HD PRO 5 HD1 PRO 5 10.989 2.402 -14.174 37 HA PRO 6 HA PRO 6 12.727 0.111 -7.939 38 1HB PRO 6 HB2 PRO 6 10.415 -0.382 -6.232 39 2HB PRO 6 HB1 PRO 6 11.657 0.848 -6.074 40 1HG PRO 6 HG2 PRO 6 9.109 1.461 -6.697 41 2HG PRO 6 HG1 PRO 6 10.491 2.400 -7.301 42 1HD PRO 6 HD2 PRO 6 8.943 0.228 -8.661 43 2HD PRO 6 HD1 PRO 6 9.424 1.816 -9.302 44 H LYS 7 HN LYS 7 12.360 -1.874 -6.165 45 HA LYS 7 HA LYS 7 11.286 -4.120 -7.719 46 1HB LYS 7 HB2 LYS 7 13.821 -4.048 -7.691 47 2HB LYS 7 HB1 LYS 7 13.729 -4.308 -5.959 48 1HG LYS 7 HG2 LYS 7 14.142 -6.416 -6.906 49 2HG LYS 7 HG1 LYS 7 12.434 -6.416 -6.459 50 1HD LYS 7 HD2 LYS 7 13.429 -5.764 -9.229 51 2HD LYS 7 HD1 LYS 7 12.973 -7.389 -8.723 52 1HE LYS 7 HE2 LYS 7 10.716 -6.715 -8.338 53 2HE LYS 7 HE1 LYS 7 11.134 -5.009 -8.532 54 1HZ LYS 7 HZ1 LYS 7 10.028 -6.028 -10.494 55 2HZ LYS 7 HZ2 LYS 7 11.387 -7.029 -10.699 56 3HZ LYS 7 HZ3 LYS 7 11.542 -5.344 -10.837 57 H ILE 8 HN ILE 8 9.375 -4.007 -6.567 58 HA ILE 8 HA ILE 8 9.562 -4.199 -3.665 59 HB ILE 8 HB ILE 8 6.982 -4.103 -5.216 60 1HG1 ILE 8 HG12 ILE 8 8.424 -2.197 -5.950 61 2HG1 ILE 8 HG11 ILE 8 7.000 -1.673 -5.061 62 1HG2 ILE 8 HG21 ILE 8 7.789 -3.224 -2.443 63 2HG2 ILE 8 HG22 ILE 8 6.866 -4.672 -2.855 64 3HG2 ILE 8 HG23 ILE 8 6.171 -3.075 -3.136 65 1HD1 ILE 8 HD11 ILE 8 9.754 -1.948 -3.887 66 2HD1 ILE 8 HD12 ILE 8 8.326 -1.271 -3.100 67 3HD1 ILE 8 HD13 ILE 8 9.049 -0.443 -4.481 68 H VAL 9 HN VAL 9 9.758 -6.160 -2.844 69 HA VAL 9 HA VAL 9 8.920 -8.468 -4.440 70 HB VAL 9 HB VAL 9 10.568 -8.427 -1.909 71 1HG1 VAL 9 HG11 VAL 9 9.524 -10.583 -2.400 72 2HG1 VAL 9 HG12 VAL 9 11.274 -10.657 -2.604 73 3HG1 VAL 9 HG13 VAL 9 10.225 -10.558 -4.019 74 1HG2 VAL 9 HG21 VAL 9 12.515 -8.622 -3.350 75 2HG2 VAL 9 HG22 VAL 9 11.633 -7.127 -3.669 76 3HG2 VAL 9 HG23 VAL 9 11.482 -8.495 -4.774 77 H TRP 10 HN TRP 10 7.136 -9.536 -3.986 78 HA TRP 10 HA TRP 10 5.614 -8.929 -1.643 79 1HB TRP 10 HB2 TRP 10 4.500 -9.430 -3.751 80 2HB TRP 10 HB1 TRP 10 5.204 -11.046 -3.757 81 HD1 TRP 10 HD1 TRP 10 3.722 -9.531 -0.575 82 HE1 TRP 10 HE1 TRP 10 1.658 -10.885 0.127 83 HE3 TRP 10 HE3 TRP 10 3.356 -12.567 -4.666 84 HZ2 TRP 10 HZ2 TRP 10 0.074 -12.976 -0.933 85 HZ3 TRP 10 HZ3 TRP 10 1.532 -14.217 -4.749 86 HH2 TRP 10 HH2 TRP 10 -0.073 -14.416 -2.918 87 H ASN 11 HN ASN 11 6.131 -9.673 0.264 88 HA ASN 11 HA ASN 11 7.296 -12.342 0.523 89 1HB ASN 11 HB2 ASN 11 8.252 -10.316 1.755 90 2HB ASN 11 HB1 ASN 11 6.801 -10.370 2.752 91 1HD2 ASN 11 HD21 ASN 11 9.712 -10.878 3.288 92 2HD2 ASN 11 HD22 ASN 11 9.737 -12.413 4.077 93 H GLU 12 HN GLU 12 5.576 -13.636 0.124 94 HA GLU 12 HA GLU 12 2.938 -13.137 0.924 95 1HB GLU 12 HB2 GLU 12 2.566 -15.539 0.307 96 2HB GLU 12 HB1 GLU 12 3.338 -14.563 -0.935 97 1HG GLU 12 HG2 GLU 12 5.529 -15.466 -0.199 98 2HG GLU 12 HG1 GLU 12 4.665 -16.538 0.900 99 H GLY 13 HN GLY 13 5.567 -14.734 2.591 100 1HA GLY 13 HA2 GLY 13 3.894 -16.144 4.452 101 2HA GLY 13 HA1 GLY 13 5.634 -15.920 4.576 102 H LYS 14 HN LYS 14 5.062 -12.953 4.201 103 HA LYS 14 HA LYS 14 4.410 -12.409 7.012 104 1HB LYS 14 HB2 LYS 14 6.125 -10.974 5.003 105 2HB LYS 14 HB1 LYS 14 5.519 -10.146 6.426 106 1HG LYS 14 HG2 LYS 14 7.798 -10.925 6.732 107 2HG LYS 14 HG1 LYS 14 6.695 -11.710 7.862 108 1HD LYS 14 HD2 LYS 14 6.698 -13.722 6.565 109 2HD LYS 14 HD1 LYS 14 7.607 -12.946 5.269 110 1HE LYS 14 HE2 LYS 14 9.524 -12.709 6.713 111 2HE LYS 14 HE1 LYS 14 8.623 -13.381 8.073 112 1HZ LYS 14 HZ1 LYS 14 8.413 -15.462 6.817 113 2HZ LYS 14 HZ2 LYS 14 10.037 -15.055 7.096 114 3HZ LYS 14 HZ3 LYS 14 9.352 -14.808 5.565 115 H ARG 15 HN ARG 15 3.089 -12.374 4.019 116 HA ARG 15 HA ARG 15 1.420 -11.278 2.934 117 1HB ARG 15 HB2 ARG 15 0.656 -10.567 5.773 118 2HB ARG 15 HB1 ARG 15 -0.364 -10.270 4.375 119 1HG ARG 15 HG2 ARG 15 0.569 -12.969 5.320 120 2HG ARG 15 HG1 ARG 15 -1.033 -12.278 5.590 121 1HD ARG 15 HD2 ARG 15 -1.147 -12.068 3.032 122 2HD ARG 15 HD1 ARG 15 0.222 -13.181 3.016 123 HE ARG 15 HE ARG 15 -2.466 -13.783 4.063 124 1HH1 ARG 15 HH11 ARG 15 0.671 -14.891 2.943 125 2HH1 ARG 15 HH12 ARG 15 0.150 -16.541 2.751 126 1HH2 ARG 15 HH21 ARG 15 -3.135 -15.943 3.818 127 2HH2 ARG 15 HH22 ARG 15 -2.000 -17.136 3.256 128 H ARG 16 HN ARG 16 3.604 -9.929 2.558 129 HA ARG 16 HA ARG 16 2.832 -7.139 2.788 130 1HB ARG 16 HB2 ARG 16 4.780 -6.432 3.980 131 2HB ARG 16 HB1 ARG 16 4.032 -7.729 4.887 132 1HG ARG 16 HG2 ARG 16 5.657 -9.292 4.160 133 2HG ARG 16 HG1 ARG 16 6.370 -8.101 3.065 134 1HD ARG 16 HD2 ARG 16 7.533 -8.475 5.270 135 2HD ARG 16 HD1 ARG 16 7.190 -6.803 4.845 136 HE ARG 16 HE ARG 16 5.129 -7.227 6.356 137 1HH1 ARG 16 HH11 ARG 16 8.318 -8.571 6.818 138 2HH1 ARG 16 HH12 ARG 16 8.185 -8.644 8.547 139 1HH2 ARG 16 HH21 ARG 16 4.945 -7.284 8.656 140 2HH2 ARG 16 HH22 ARG 16 6.270 -7.917 9.586 141 H PHE 17 HN PHE 17 4.284 -5.692 1.627 142 HA PHE 17 HA PHE 17 5.844 -7.039 -0.482 143 1HB PHE 17 HB2 PHE 17 4.608 -4.276 -0.617 144 2HB PHE 17 HB1 PHE 17 5.459 -5.109 -1.911 145 HD1 PHE 17 HD1 PHE 17 2.313 -4.361 -0.515 146 HD2 PHE 17 HD2 PHE 17 4.419 -7.368 -2.670 147 HE1 PHE 17 HE1 PHE 17 0.177 -5.287 -1.305 148 HE2 PHE 17 HE2 PHE 17 2.283 -8.300 -3.465 149 HZ PHE 17 HZ PHE 17 0.157 -7.259 -2.783 150 H GLU 18 HN GLU 18 7.975 -6.702 -0.384 151 HA GLU 18 HA GLU 18 8.936 -4.503 1.333 152 1HB GLU 18 HB2 GLU 18 9.201 -7.035 1.987 153 2HB GLU 18 HB1 GLU 18 10.514 -6.994 0.821 154 1HG GLU 18 HG2 GLU 18 11.737 -5.454 2.086 155 2HG GLU 18 HG1 GLU 18 10.342 -5.032 3.080 156 H THR 19 HN THR 19 10.168 -3.038 0.413 157 HA THR 19 HA THR 19 10.551 -3.086 -2.394 158 HB THR 19 HB THR 19 10.247 -1.072 -0.809 159 HG1 THR 19 HG1 THR 19 12.333 -0.473 -2.568 160 1HG2 THR 19 HG21 THR 19 12.156 -1.590 0.664 161 2HG2 THR 19 HG22 THR 19 12.269 0.019 -0.048 162 3HG2 THR 19 HG23 THR 19 13.249 -1.298 -0.688 163 H GLU 20 HN GLU 20 12.848 -2.387 -3.240 164 HA GLU 20 HA GLU 20 14.442 -4.678 -3.224 165 1HB GLU 20 HB2 GLU 20 16.007 -3.412 -4.569 166 2HB GLU 20 HB1 GLU 20 14.370 -2.999 -5.034 167 1HG GLU 20 HG2 GLU 20 15.902 -1.313 -3.106 168 2HG GLU 20 HG1 GLU 20 16.047 -1.104 -4.853 169 H ASP 21 HN ASP 21 14.197 -2.391 -0.895 170 HA ASP 21 HA ASP 21 17.015 -2.541 -0.093 171 1HB ASP 21 HB2 ASP 21 16.867 -0.325 -0.002 172 2HB ASP 21 HB1 ASP 21 15.167 -0.395 -0.406 173 H HIS 22 HN HIS 22 13.833 -3.396 0.690 174 HA HIS 22 HA HIS 22 12.967 -4.782 2.231 175 1HB HIS 22 HB2 HIS 22 15.867 -5.262 2.911 176 2HB HIS 22 HB1 HIS 22 14.529 -6.175 3.602 177 HD1 HIS 22 HD1 HIS 22 13.398 -7.927 2.125 178 HD2 HIS 22 HD2 HIS 22 16.420 -5.816 0.194 179 HE1 HIS 22 HE1 HIS 22 13.855 -9.189 -0.010 180 HE2 HIS 22 HE2 HIS 22 15.724 -7.919 -1.142 181 H GLU 23 HN GLU 23 14.395 -1.951 3.030 182 HA GLU 23 HA GLU 23 13.771 -2.178 5.880 183 1HB GLU 23 HB2 GLU 23 14.893 0.171 4.336 184 2HB GLU 23 HB1 GLU 23 14.792 0.023 6.085 185 1HG GLU 23 HG2 GLU 23 16.478 -1.685 4.256 186 2HG GLU 23 HG1 GLU 23 17.055 -0.362 5.278 187 H ALA 24 HN ALA 24 12.762 -0.724 2.883 188 HA ALA 24 HA ALA 24 10.372 0.395 4.130 189 1HB ALA 24 HB1 ALA 24 11.198 0.392 1.231 190 2HB ALA 24 HB2 ALA 24 11.500 1.702 2.373 191 3HB ALA 24 HB3 ALA 24 9.844 1.280 1.931 192 H PHE 25 HN PHE 25 8.485 -0.638 4.177 193 HA PHE 25 HA PHE 25 7.853 -2.666 2.232 194 1HB PHE 25 HB2 PHE 25 7.383 -4.403 3.956 195 2HB PHE 25 HB1 PHE 25 9.095 -4.063 3.736 196 HD1 PHE 25 HD1 PHE 25 6.252 -3.897 6.004 197 HD2 PHE 25 HD2 PHE 25 10.359 -2.907 5.478 198 HE1 PHE 25 HE1 PHE 25 6.463 -3.494 8.421 199 HE2 PHE 25 HE2 PHE 25 10.577 -2.503 7.892 200 HZ PHE 25 HZ PHE 25 8.641 -2.845 9.377 201 H ILE 26 HN ILE 26 5.702 -3.333 2.286 202 HA ILE 26 HA ILE 26 3.941 -1.755 4.032 203 HB ILE 26 HB ILE 26 4.023 -1.740 1.219 204 1HG1 ILE 26 HG12 ILE 26 3.261 -0.026 2.923 205 2HG1 ILE 26 HG11 ILE 26 2.332 -0.107 1.426 206 1HG2 ILE 26 HG21 ILE 26 1.548 -3.183 2.182 207 2HG2 ILE 26 HG22 ILE 26 2.790 -3.833 1.110 208 3HG2 ILE 26 HG23 ILE 26 1.771 -2.499 0.570 209 1HD1 ILE 26 HD11 ILE 26 1.562 -1.333 4.056 210 2HD1 ILE 26 HD12 ILE 26 0.633 -1.434 2.560 211 3HD1 ILE 26 HD13 ILE 26 0.880 0.129 3.343 212 H GLU 27 HN GLU 27 2.574 -2.911 5.272 213 HA GLU 27 HA GLU 27 2.577 -5.824 4.849 214 1HB GLU 27 HB2 GLU 27 3.475 -4.928 7.005 215 2HB GLU 27 HB1 GLU 27 1.888 -4.253 7.348 216 1HG GLU 27 HG2 GLU 27 0.935 -6.494 7.379 217 2HG GLU 27 HG1 GLU 27 2.518 -7.179 7.006 218 H TYR 28 HN TYR 28 0.524 -6.963 5.201 219 HA TYR 28 HA TYR 28 -1.874 -5.389 5.470 220 1HB TYR 28 HB2 TYR 28 -2.899 -5.957 3.366 221 2HB TYR 28 HB1 TYR 28 -1.344 -5.216 3.013 222 HD1 TYR 28 HD1 TYR 28 -3.206 -8.409 3.067 223 HD2 TYR 28 HD2 TYR 28 0.381 -6.436 1.897 224 HE1 TYR 28 HE1 TYR 28 -2.601 -10.338 1.662 225 HE2 TYR 28 HE2 TYR 28 0.991 -8.356 0.494 226 HH TYR 28 HH TYR 28 0.529 -10.669 0.242 227 H LYS 29 HN LYS 29 -3.832 -6.855 5.272 228 HA LYS 29 HA LYS 29 -3.348 -9.685 5.524 229 1HB LYS 29 HB2 LYS 29 -4.644 -9.881 7.657 230 2HB LYS 29 HB1 LYS 29 -3.062 -9.146 7.834 231 1HG LYS 29 HG2 LYS 29 -5.551 -7.496 7.590 232 2HG LYS 29 HG1 LYS 29 -5.006 -8.138 9.140 233 1HD LYS 29 HD2 LYS 29 -3.485 -6.275 7.312 234 2HD LYS 29 HD1 LYS 29 -4.227 -5.859 8.858 235 1HE LYS 29 HE2 LYS 29 -1.996 -7.862 8.496 236 2HE LYS 29 HE1 LYS 29 -1.768 -6.183 8.985 237 1HZ LYS 29 HZ1 LYS 29 -3.171 -6.637 10.935 238 2HZ LYS 29 HZ2 LYS 29 -1.766 -7.593 10.903 239 3HZ LYS 29 HZ3 LYS 29 -3.262 -8.273 10.480 240 H MET 30 HN MET 30 -4.947 -10.794 4.602 241 HA MET 30 HA MET 30 -7.151 -9.263 3.507 242 1HB MET 30 HB2 MET 30 -6.507 -12.211 3.214 243 2HB MET 30 HB1 MET 30 -7.681 -11.305 2.270 244 1HG MET 30 HG2 MET 30 -5.857 -9.899 1.403 245 2HG MET 30 HG1 MET 30 -4.702 -10.890 2.295 246 1HE MET 30 HE1 MET 30 -6.104 -13.791 1.928 247 2HE MET 30 HE2 MET 30 -4.364 -13.523 1.814 248 3HE MET 30 HE3 MET 30 -5.210 -14.388 0.529 249 H ARG 31 HN ARG 31 -8.845 -8.907 4.650 250 HA ARG 31 HA ARG 31 -9.537 -10.601 6.923 251 1HB ARG 31 HB2 ARG 31 -10.359 -7.844 6.021 252 2HB ARG 31 HB1 ARG 31 -11.144 -8.667 7.362 253 1HG ARG 31 HG2 ARG 31 -9.165 -8.642 8.655 254 2HG ARG 31 HG1 ARG 31 -8.178 -8.186 7.265 255 1HD ARG 31 HD2 ARG 31 -8.625 -6.314 8.840 256 2HD ARG 31 HD1 ARG 31 -9.169 -6.007 7.191 257 HE ARG 31 HE ARG 31 -11.252 -7.112 8.791 258 1HH1 ARG 31 HH11 ARG 31 -9.475 -4.125 8.227 259 2HH1 ARG 31 HH12 ARG 31 -10.828 -3.110 8.637 260 1HH2 ARG 31 HH21 ARG 31 -13.020 -5.773 9.316 261 2HH2 ARG 31 HH22 ARG 31 -12.841 -4.038 9.246 262 H ASN 32 HN ASN 32 -11.880 -10.947 7.322 263 HA ASN 32 HA ASN 32 -13.887 -11.838 6.747 264 1HB ASN 32 HB2 ASN 32 -14.096 -9.525 5.689 265 2HB ASN 32 HB1 ASN 32 -13.642 -10.277 4.166 266 1HD2 ASN 32 HD21 ASN 32 -15.636 -9.600 3.328 267 2HD2 ASN 32 HD22 ASN 32 -17.090 -10.484 3.668 268 H ASN 33 HN ASN 33 -11.787 -13.431 6.401 269 HA ASN 33 HA ASN 33 -11.186 -15.432 5.508 270 1HB ASN 33 HB2 ASN 33 -13.588 -15.828 5.054 271 2HB ASN 33 HB1 ASN 33 -13.413 -15.023 3.499 272 1HD2 ASN 33 HD21 ASN 33 -13.920 -16.756 2.244 273 2HD2 ASN 33 HD22 ASN 33 -12.923 -18.166 2.110 274 H GLY 34 HN GLY 34 -11.285 -12.551 3.736 275 1HA GLY 34 HA2 GLY 34 -9.101 -12.141 2.562 276 2HA GLY 34 HA1 GLY 34 -9.430 -13.643 1.714 277 H LYS 35 HN LYS 35 -11.755 -11.141 2.544 278 HA LYS 35 HA LYS 35 -12.206 -10.688 -0.326 279 1HB LYS 35 HB2 LYS 35 -14.018 -10.151 2.038 280 2HB LYS 35 HB1 LYS 35 -14.414 -9.786 0.364 281 1HG LYS 35 HG2 LYS 35 -13.898 -12.530 1.495 282 2HG LYS 35 HG1 LYS 35 -15.478 -11.847 1.105 283 1HD LYS 35 HD2 LYS 35 -14.862 -11.692 -1.239 284 2HD LYS 35 HD1 LYS 35 -13.245 -12.298 -0.872 285 1HE LYS 35 HE2 LYS 35 -14.250 -14.403 -0.068 286 2HE LYS 35 HE1 LYS 35 -15.842 -13.792 -0.515 287 1HZ LYS 35 HZ1 LYS 35 -15.099 -13.659 -2.817 288 2HZ LYS 35 HZ2 LYS 35 -14.959 -15.243 -2.225 289 3HZ LYS 35 HZ3 LYS 35 -13.577 -14.269 -2.379 290 H VAL 36 HN VAL 36 -11.322 -9.207 2.675 291 HA VAL 36 HA VAL 36 -11.028 -6.622 1.295 292 HB VAL 36 HB VAL 36 -11.724 -7.165 4.187 293 1HG1 VAL 36 HG11 VAL 36 -11.664 -4.710 4.494 294 2HG1 VAL 36 HG12 VAL 36 -10.975 -4.547 2.879 295 3HG1 VAL 36 HG13 VAL 36 -10.073 -5.386 4.139 296 1HG2 VAL 36 HG21 VAL 36 -13.691 -5.796 3.696 297 2HG2 VAL 36 HG22 VAL 36 -13.606 -7.206 2.640 298 3HG2 VAL 36 HG23 VAL 36 -13.146 -5.616 2.028 299 H MET 37 HN MET 37 -8.956 -6.024 1.044 300 HA MET 37 HA MET 37 -6.942 -7.319 2.720 301 1HB MET 37 HB2 MET 37 -6.716 -5.595 0.251 302 2HB MET 37 HB1 MET 37 -5.320 -6.128 1.184 303 1HG MET 37 HG2 MET 37 -6.474 -8.498 0.770 304 2HG MET 37 HG1 MET 37 -7.088 -7.640 -0.640 305 1HE MET 37 HE1 MET 37 -5.273 -6.074 -2.132 306 2HE MET 37 HE2 MET 37 -3.530 -6.318 -2.025 307 3HE MET 37 HE3 MET 37 -4.400 -5.575 -0.683 308 H ASP 38 HN ASP 38 -6.444 -6.375 4.559 309 HA ASP 38 HA ASP 38 -6.804 -3.502 4.846 310 1HB ASP 38 HB2 ASP 38 -7.412 -5.341 6.589 311 2HB ASP 38 HB1 ASP 38 -5.691 -5.332 6.961 312 H LEU 39 HN LEU 39 -5.256 -2.328 4.031 313 HA LEU 39 HA LEU 39 -2.521 -3.249 3.880 314 1HB LEU 39 HB2 LEU 39 -3.967 -0.777 2.960 315 2HB LEU 39 HB1 LEU 39 -2.214 -0.833 2.967 316 HG LEU 39 HG LEU 39 -2.156 -2.528 1.332 317 1HD1 LEU 39 HD11 LEU 39 -4.133 -3.611 0.413 318 2HD1 LEU 39 HD12 LEU 39 -5.138 -2.773 1.595 319 3HD1 LEU 39 HD13 LEU 39 -3.944 -3.955 2.133 320 1HD2 LEU 39 HD21 LEU 39 -3.357 -1.489 -0.531 321 2HD2 LEU 39 HD22 LEU 39 -2.564 -0.287 0.489 322 3HD2 LEU 39 HD23 LEU 39 -4.304 -0.543 0.619 323 H VAL 40 HN VAL 40 -1.376 -3.201 5.681 324 HA VAL 40 HA VAL 40 -1.872 -1.011 7.586 325 HB VAL 40 HB VAL 40 -1.045 -3.870 8.119 326 1HG1 VAL 40 HG11 VAL 40 -1.123 -3.299 10.488 327 2HG1 VAL 40 HG12 VAL 40 -1.450 -1.615 10.081 328 3HG1 VAL 40 HG13 VAL 40 0.095 -2.343 9.646 329 1HG2 VAL 40 HG21 VAL 40 -3.548 -2.351 8.834 330 2HG2 VAL 40 HG22 VAL 40 -3.171 -4.003 9.329 331 3HG2 VAL 40 HG23 VAL 40 -3.407 -3.624 7.622 332 H HIS 41 HN HIS 41 -0.201 0.317 7.841 333 HA HIS 41 HA HIS 41 1.859 1.012 8.426 334 1HB HIS 41 HB2 HIS 41 2.013 -1.041 9.774 335 2HB HIS 41 HB1 HIS 41 2.601 -1.916 8.371 336 HD1 HIS 41 HD1 HIS 41 4.628 -2.485 10.013 337 HD2 HIS 41 HD2 HIS 41 4.375 1.475 8.738 338 HE1 HIS 41 HE1 HIS 41 6.853 -1.452 10.546 339 HE2 HIS 41 HE2 HIS 41 6.566 0.995 10.041 340 H THR 42 HN THR 42 2.087 2.121 6.532 341 HA THR 42 HA THR 42 3.873 0.995 4.525 342 HB THR 42 HB THR 42 2.195 2.528 3.654 343 HG1 THR 42 HG1 THR 42 3.567 3.588 2.430 344 1HG2 THR 42 HG21 THR 42 3.286 4.532 5.635 345 2HG2 THR 42 HG22 THR 42 1.696 3.769 5.688 346 3HG2 THR 42 HG23 THR 42 2.094 4.881 4.380 347 H TYR 43 HN TYR 43 6.065 1.137 4.788 348 HA TYR 43 HA TYR 43 7.058 3.394 6.349 349 1HB TYR 43 HB2 TYR 43 6.880 1.195 7.733 350 2HB TYR 43 HB1 TYR 43 8.312 0.714 6.819 351 HD1 TYR 43 HD1 TYR 43 7.157 3.871 8.494 352 HD2 TYR 43 HD2 TYR 43 10.253 1.005 7.957 353 HE1 TYR 43 HE1 TYR 43 8.585 5.122 10.060 354 HE2 TYR 43 HE2 TYR 43 11.690 2.238 9.508 355 HH TYR 43 HH TYR 43 10.506 4.706 11.533 356 H VAL 44 HN VAL 44 9.121 4.046 5.889 357 HA VAL 44 HA VAL 44 10.645 2.766 3.800 358 HB VAL 44 HB VAL 44 8.922 3.985 2.520 359 1HG1 VAL 44 HG11 VAL 44 8.418 5.769 4.063 360 2HG1 VAL 44 HG12 VAL 44 8.906 6.443 2.507 361 3HG1 VAL 44 HG13 VAL 44 10.036 6.440 3.860 362 1HG2 VAL 44 HG21 VAL 44 11.688 5.156 2.282 363 2HG2 VAL 44 HG22 VAL 44 10.432 5.257 1.047 364 3HG2 VAL 44 HG23 VAL 44 11.095 3.688 1.507 365 HA PRO 45 HA PRO 45 13.853 4.896 6.123 366 1HB PRO 45 HB2 PRO 45 15.527 4.482 3.738 367 2HB PRO 45 HB1 PRO 45 15.752 3.881 5.384 368 1HG PRO 45 HG2 PRO 45 15.046 2.256 3.362 369 2HG PRO 45 HG1 PRO 45 14.469 2.005 5.019 370 1HD PRO 45 HD2 PRO 45 13.047 3.198 2.674 371 2HD PRO 45 HD1 PRO 45 12.432 2.106 3.932 372 H SER 46 HN SER 46 15.282 6.753 5.844 373 HA SER 46 HA SER 46 13.937 8.962 4.829 374 1HB SER 46 HB2 SER 46 15.699 9.020 6.591 375 2HB SER 46 HB1 SER 46 16.912 8.735 5.345 376 HG SER 46 HG SER 46 16.551 10.720 4.505 377 H PHE 47 HN PHE 47 16.145 6.807 3.275 378 HA PHE 47 HA PHE 47 17.142 8.413 1.226 379 1HB PHE 47 HB2 PHE 47 16.568 5.452 1.080 380 2HB PHE 47 HB1 PHE 47 17.730 6.348 0.111 381 HD1 PHE 47 HD1 PHE 47 17.106 4.663 3.236 382 HD2 PHE 47 HD2 PHE 47 19.773 7.267 1.188 383 HE1 PHE 47 HE1 PHE 47 18.848 4.178 4.903 384 HE2 PHE 47 HE2 PHE 47 21.520 6.788 2.853 385 HZ PHE 47 HZ PHE 47 21.058 5.242 4.713 386 H LYS 48 HN LYS 48 13.998 6.915 1.556 387 HA LYS 48 HA LYS 48 13.338 7.800 -1.164 388 1HB LYS 48 HB2 LYS 48 12.910 5.028 -0.054 389 2HB LYS 48 HB1 LYS 48 12.058 5.633 -1.470 390 1HG LYS 48 HG2 LYS 48 14.096 5.878 -2.683 391 2HG LYS 48 HG1 LYS 48 15.056 5.531 -1.245 392 1HD LYS 48 HD2 LYS 48 13.170 3.587 -2.588 393 2HD LYS 48 HD1 LYS 48 14.924 3.612 -2.795 394 1HE LYS 48 HE2 LYS 48 15.033 3.401 -0.247 395 2HE LYS 48 HE1 LYS 48 13.332 2.946 -0.340 396 1HZ LYS 48 HZ1 LYS 48 13.996 1.164 -1.909 397 2HZ LYS 48 HZ2 LYS 48 14.653 0.985 -0.358 398 3HZ LYS 48 HZ3 LYS 48 15.620 1.560 -1.621 399 H ARG 49 HN ARG 49 12.638 8.706 1.634 400 HA ARG 49 HA ARG 49 9.941 8.049 2.168 401 1HB ARG 49 HB2 ARG 49 11.504 10.533 2.899 402 2HB ARG 49 HB1 ARG 49 9.912 10.137 3.532 403 1HG ARG 49 HG2 ARG 49 10.807 8.135 4.575 404 2HG ARG 49 HG1 ARG 49 12.402 8.486 3.903 405 1HD ARG 49 HD2 ARG 49 12.437 9.239 6.147 406 2HD ARG 49 HD1 ARG 49 12.319 10.677 5.136 407 HE ARG 49 HE ARG 49 9.758 9.729 5.994 408 1HH1 ARG 49 HH11 ARG 49 12.539 11.633 6.922 409 2HH1 ARG 49 HH12 ARG 49 11.670 12.562 8.106 410 1HH2 ARG 49 HH21 ARG 49 8.619 10.902 7.583 411 2HH2 ARG 49 HH22 ARG 49 9.447 12.123 8.503 412 H GLY 50 HN GLY 50 11.213 11.129 0.894 413 1HA GLY 50 HA2 GLY 50 8.606 11.818 -0.148 414 2HA GLY 50 HA1 GLY 50 10.067 12.790 -0.252 415 H LEU 51 HN LEU 51 10.351 9.534 -1.278 416 HA LEU 51 HA LEU 51 10.696 10.425 -4.024 417 1HB LEU 51 HB2 LEU 51 12.316 8.869 -2.923 418 2HB LEU 51 HB1 LEU 51 11.041 7.665 -2.860 419 HG LEU 51 HG LEU 51 10.931 7.654 -5.322 420 1HD1 LEU 51 HD11 LEU 51 13.286 9.527 -5.148 421 2HD1 LEU 51 HD12 LEU 51 11.679 9.920 -5.761 422 3HD1 LEU 51 HD13 LEU 51 12.691 8.757 -6.618 423 1HD2 LEU 51 HD21 LEU 51 13.076 6.522 -5.707 424 2HD2 LEU 51 HD22 LEU 51 12.322 6.022 -4.193 425 3HD2 LEU 51 HD23 LEU 51 13.672 7.155 -4.173 426 H GLY 52 HN GLY 52 8.349 8.786 -2.070 427 1HA GLY 52 HA2 GLY 52 6.111 8.578 -3.069 428 2HA GLY 52 HA1 GLY 52 6.921 8.089 -4.551 429 H LEU 53 HN LEU 53 8.823 6.511 -2.769 430 HA LEU 53 HA LEU 53 7.847 4.038 -3.495 431 1HB LEU 53 HB2 LEU 53 10.199 4.749 -2.826 432 2HB LEU 53 HB1 LEU 53 9.691 4.499 -1.169 433 HG LEU 53 HG LEU 53 10.993 2.619 -2.400 434 1HD1 LEU 53 HD11 LEU 53 9.989 2.376 -0.186 435 2HD1 LEU 53 HD12 LEU 53 9.820 0.904 -1.144 436 3HD1 LEU 53 HD13 LEU 53 8.439 1.985 -0.934 437 1HD2 LEU 53 HD21 LEU 53 9.566 1.038 -3.595 438 2HD2 LEU 53 HD22 LEU 53 9.612 2.601 -4.409 439 3HD2 LEU 53 HD23 LEU 53 8.205 2.150 -3.444 440 H ALA 54 HN ALA 54 7.542 5.653 -0.348 441 HA ALA 54 HA ALA 54 6.441 3.615 1.154 442 1HB ALA 54 HB1 ALA 54 7.092 5.791 2.066 443 2HB ALA 54 HB2 ALA 54 5.452 5.350 2.544 444 3HB ALA 54 HB3 ALA 54 5.710 6.536 1.266 445 H SER 55 HN SER 55 4.662 6.025 -0.777 446 HA SER 55 HA SER 55 2.145 4.770 -0.399 447 1HB SER 55 HB2 SER 55 1.507 6.249 -2.408 448 2HB SER 55 HB1 SER 55 2.023 7.049 -0.925 449 HG SER 55 HG SER 55 3.365 8.016 -2.216 450 H HIS 56 HN HIS 56 4.685 4.454 -2.841 451 HA HIS 56 HA HIS 56 3.169 2.989 -4.713 452 1HB HIS 56 HB2 HIS 56 6.114 3.153 -4.176 453 2HB HIS 56 HB1 HIS 56 5.493 1.938 -5.284 454 HD1 HIS 56 HD1 HIS 56 4.287 2.814 -7.464 455 HD2 HIS 56 HD2 HIS 56 6.193 5.745 -5.202 456 HE1 HIS 56 HE1 HIS 56 4.482 4.819 -8.969 457 HE2 HIS 56 HE2 HIS 56 5.505 6.619 -7.537 458 H LEU 57 HN LEU 57 4.763 2.060 -1.759 459 HA LEU 57 HA LEU 57 4.417 -0.728 -1.979 460 1HB LEU 57 HB2 LEU 57 4.388 1.061 0.457 461 2HB LEU 57 HB1 LEU 57 4.501 -0.687 0.506 462 HG LEU 57 HG LEU 57 6.558 1.080 -0.819 463 1HD1 LEU 57 HD11 LEU 57 7.929 0.667 1.167 464 2HD1 LEU 57 HD12 LEU 57 6.570 -0.157 1.931 465 3HD1 LEU 57 HD13 LEU 57 6.463 1.564 1.562 466 1HD2 LEU 57 HD21 LEU 57 6.571 -1.829 -0.024 467 2HD2 LEU 57 HD22 LEU 57 7.948 -0.940 -0.679 468 3HD2 LEU 57 HD23 LEU 57 6.509 -1.192 -1.667 469 H CYS 58 HN CYS 58 2.378 1.794 -0.514 470 HA CYS 58 HA CYS 58 0.189 0.156 0.123 471 1HB CYS 58 HB2 CYS 58 0.430 2.400 1.063 472 2HB CYS 58 HB1 CYS 58 0.223 3.135 -0.533 473 HG CYS 58 HG CYS 58 -2.415 1.491 -0.421 474 H VAL 59 HN VAL 59 0.980 1.928 -2.821 475 HA VAL 59 HA VAL 59 -1.454 1.402 -4.174 476 HB VAL 59 HB VAL 59 1.280 2.162 -5.212 477 1HG1 VAL 59 HG11 VAL 59 -1.328 2.059 -6.728 478 2HG1 VAL 59 HG12 VAL 59 0.056 0.996 -6.978 479 3HG1 VAL 59 HG13 VAL 59 0.191 2.717 -7.334 480 1HG2 VAL 59 HG21 VAL 59 0.169 3.843 -3.822 481 2HG2 VAL 59 HG22 VAL 59 -1.252 3.767 -4.865 482 3HG2 VAL 59 HG23 VAL 59 0.279 4.367 -5.501 483 H ALA 60 HN ALA 60 1.585 -0.358 -3.916 484 HA ALA 60 HA ALA 60 1.133 -2.215 -5.978 485 1HB ALA 60 HB1 ALA 60 2.672 -2.612 -3.411 486 2HB ALA 60 HB2 ALA 60 3.313 -1.935 -4.907 487 3HB ALA 60 HB3 ALA 60 2.790 -3.618 -4.855 488 H ALA 61 HN ALA 61 -0.036 -2.102 -2.647 489 HA ALA 61 HA ALA 61 -1.191 -4.712 -2.770 490 1HB ALA 61 HB1 ALA 61 -2.375 -4.068 -0.742 491 2HB ALA 61 HB2 ALA 61 -1.858 -2.396 -0.961 492 3HB ALA 61 HB3 ALA 61 -0.665 -3.655 -0.636 493 H PHE 62 HN PHE 62 -2.229 -1.447 -3.556 494 HA PHE 62 HA PHE 62 -4.928 -1.962 -4.110 495 1HB PHE 62 HB2 PHE 62 -2.989 0.011 -5.311 496 2HB PHE 62 HB1 PHE 62 -4.664 -0.092 -5.837 497 HD1 PHE 62 HD1 PHE 62 -6.043 -0.512 -3.252 498 HD2 PHE 62 HD2 PHE 62 -2.824 2.070 -4.303 499 HE1 PHE 62 HE1 PHE 62 -6.667 0.990 -1.383 500 HE2 PHE 62 HE2 PHE 62 -3.443 3.586 -2.457 501 HZ PHE 62 HZ PHE 62 -5.485 3.133 -1.119 502 H GLU 63 HN GLU 63 -2.088 -2.080 -6.238 503 HA GLU 63 HA GLU 63 -3.310 -2.875 -8.601 504 1HB GLU 63 HB2 GLU 63 -0.630 -3.897 -7.639 505 2HB GLU 63 HB1 GLU 63 -1.163 -3.717 -9.302 506 1HG GLU 63 HG2 GLU 63 -1.269 -1.241 -8.881 507 2HG GLU 63 HG1 GLU 63 -0.467 -1.550 -7.344 508 H HIS 64 HN HIS 64 -2.338 -4.753 -5.819 509 HA HIS 64 HA HIS 64 -2.612 -7.313 -7.007 510 1HB HIS 64 HB2 HIS 64 -1.250 -6.846 -4.993 511 2HB HIS 64 HB1 HIS 64 -2.720 -6.532 -4.085 512 HD1 HIS 64 HD1 HIS 64 -3.425 -8.472 -2.722 513 HD2 HIS 64 HD2 HIS 64 -1.358 -9.649 -6.129 514 HE1 HIS 64 HE1 HIS 64 -3.252 -10.970 -2.574 515 HE2 HIS 64 HE2 HIS 64 -2.238 -11.668 -4.771 516 H ALA 65 HN ALA 65 -4.702 -5.481 -4.777 517 HA ALA 65 HA ALA 65 -6.736 -7.463 -4.756 518 1HB ALA 65 HB1 ALA 65 -6.917 -4.567 -3.963 519 2HB ALA 65 HB2 ALA 65 -6.422 -5.896 -2.916 520 3HB ALA 65 HB3 ALA 65 -8.068 -5.838 -3.548 521 H SER 66 HN SER 66 -6.509 -4.270 -6.358 522 HA SER 66 HA SER 66 -8.986 -4.249 -7.567 523 1HB SER 66 HB2 SER 66 -7.331 -2.381 -7.607 524 2HB SER 66 HB1 SER 66 -6.432 -3.248 -8.851 525 HG SER 66 HG SER 66 -9.177 -2.735 -9.219 526 H SER 67 HN SER 67 -6.035 -5.808 -8.831 527 HA SER 67 HA SER 67 -7.165 -6.512 -11.326 528 1HB SER 67 HB2 SER 67 -4.853 -7.835 -9.889 529 2HB SER 67 HB1 SER 67 -5.206 -7.925 -11.616 530 HG SER 67 HG SER 67 -4.080 -5.866 -10.119 531 H HIS 68 HN HIS 68 -7.165 -8.073 -8.199 532 HA HIS 68 HA HIS 68 -8.233 -10.560 -9.317 533 1HB HIS 68 HB2 HIS 68 -6.429 -10.458 -7.517 534 2HB HIS 68 HB1 HIS 68 -7.688 -9.919 -6.417 535 HD1 HIS 68 HD1 HIS 68 -9.495 -11.695 -5.738 536 HD2 HIS 68 HD2 HIS 68 -6.392 -13.171 -8.071 537 HE1 HIS 68 HE1 HIS 68 -9.591 -14.190 -5.480 538 HE2 HIS 68 HE2 HIS 68 -7.586 -15.044 -6.741 539 H SER 69 HN SER 69 -9.493 -7.681 -8.592 540 HA SER 69 HA SER 69 -11.494 -6.837 -7.967 541 1HB SER 69 HB2 SER 69 -12.406 -9.676 -8.486 542 2HB SER 69 HB1 SER 69 -13.503 -8.336 -8.152 543 HG SER 69 HG SER 69 -11.949 -8.864 -10.421 544 H ILE 70 HN ILE 70 -10.019 -6.958 -5.923 545 HA ILE 70 HA ILE 70 -11.614 -8.154 -3.748 546 HB ILE 70 HB ILE 70 -8.632 -7.598 -3.765 547 1HG1 ILE 70 HG12 ILE 70 -10.119 -10.231 -3.779 548 2HG1 ILE 70 HG11 ILE 70 -9.229 -9.545 -5.133 549 1HG2 ILE 70 HG21 ILE 70 -9.597 -7.281 -1.552 550 2HG2 ILE 70 HG22 ILE 70 -8.587 -8.727 -1.597 551 3HG2 ILE 70 HG23 ILE 70 -10.344 -8.876 -1.637 552 1HD1 ILE 70 HD11 ILE 70 -7.156 -9.713 -3.851 553 2HD1 ILE 70 HD12 ILE 70 -7.947 -11.280 -4.030 554 3HD1 ILE 70 HD13 ILE 70 -8.053 -10.408 -2.501 555 H SER 71 HN SER 71 -11.945 -6.826 -1.883 556 HA SER 71 HA SER 71 -11.609 -3.974 -2.399 557 1HB SER 71 HB2 SER 71 -13.021 -3.796 -0.254 558 2HB SER 71 HB1 SER 71 -13.807 -4.453 -1.689 559 HG SER 71 HG SER 71 -12.617 -6.419 -0.267 560 H ILE 72 HN ILE 72 -10.976 -2.602 -0.455 561 HA ILE 72 HA ILE 72 -8.785 -3.856 1.051 562 HB ILE 72 HB ILE 72 -8.506 -1.547 -0.889 563 1HG1 ILE 72 HG12 ILE 72 -7.226 -4.265 -0.684 564 2HG1 ILE 72 HG11 ILE 72 -8.191 -3.617 -2.008 565 1HG2 ILE 72 HG21 ILE 72 -6.524 -2.426 1.197 566 2HG2 ILE 72 HG22 ILE 72 -7.350 -0.869 1.100 567 3HG2 ILE 72 HG23 ILE 72 -6.172 -1.324 -0.134 568 1HD1 ILE 72 HD11 ILE 72 -5.448 -2.671 -1.208 569 2HD1 ILE 72 HD12 ILE 72 -6.421 -2.027 -2.530 570 3HD1 ILE 72 HD13 ILE 72 -5.841 -3.691 -2.593 571 H ILE 73 HN ILE 73 -8.184 -2.769 2.901 572 HA ILE 73 HA ILE 73 -9.440 -0.171 3.524 573 HB ILE 73 HB ILE 73 -9.202 -2.577 5.358 574 1HG1 ILE 73 HG12 ILE 73 -11.232 -2.449 3.966 575 2HG1 ILE 73 HG11 ILE 73 -11.598 -2.284 5.682 576 1HG2 ILE 73 HG21 ILE 73 -9.969 -1.116 7.186 577 2HG2 ILE 73 HG22 ILE 73 -9.802 0.279 6.120 578 3HG2 ILE 73 HG23 ILE 73 -8.376 -0.659 6.575 579 1HD1 ILE 73 HD11 ILE 73 -11.812 0.124 5.411 580 2HD1 ILE 73 HD12 ILE 73 -12.902 -0.739 4.325 581 3HD1 ILE 73 HD13 ILE 73 -11.414 -0.027 3.701 582 HA PRO 74 HA PRO 74 -5.010 0.228 4.163 583 1HB PRO 74 HB2 PRO 74 -5.118 2.979 3.561 584 2HB PRO 74 HB1 PRO 74 -4.696 1.666 2.462 585 1HG PRO 74 HG2 PRO 74 -6.973 3.295 2.295 586 2HG PRO 74 HG1 PRO 74 -6.702 1.780 1.422 587 1HD PRO 74 HD2 PRO 74 -8.288 2.282 3.896 588 2HD PRO 74 HD1 PRO 74 -8.572 1.117 2.583 589 H SER 75 HN SER 75 -4.762 0.036 6.357 590 HA SER 75 HA SER 75 -5.352 2.163 8.189 591 1HB SER 75 HB2 SER 75 -3.403 -0.155 8.420 592 2HB SER 75 HB1 SER 75 -3.929 0.878 9.750 593 HG SER 75 HG SER 75 -5.304 -1.159 8.405 594 H CYS 76 HN CYS 76 -2.985 1.467 5.883 595 HA CYS 76 HA CYS 76 -0.953 3.303 6.565 596 1HB CYS 76 HB2 CYS 76 -1.740 2.476 3.765 597 2HB CYS 76 HB1 CYS 76 -0.186 3.080 4.317 598 HG CYS 76 HG CYS 76 -0.775 0.086 3.855 599 H SER 77 HN SER 77 -3.848 4.200 6.640 600 HA SER 77 HA SER 77 -4.676 5.743 4.556 601 1HB SER 77 HB2 SER 77 -5.954 7.007 6.415 602 2HB SER 77 HB1 SER 77 -6.245 5.279 6.204 603 HG SER 77 HG SER 77 -5.353 6.564 8.368 604 H TYR 78 HN TYR 78 -1.948 6.588 6.502 605 HA TYR 78 HA TYR 78 -1.917 9.357 6.054 606 1HB TYR 78 HB2 TYR 78 0.099 9.035 7.017 607 2HB TYR 78 HB1 TYR 78 0.040 7.312 6.668 608 HD1 TYR 78 HD1 TYR 78 1.120 10.600 5.338 609 HD2 TYR 78 HD2 TYR 78 1.321 6.375 4.901 610 HE1 TYR 78 HE1 TYR 78 2.929 10.858 3.694 611 HE2 TYR 78 HE2 TYR 78 3.133 6.617 3.255 612 HH TYR 78 HH TYR 78 4.866 9.424 2.848 613 H VAL 79 HN VAL 79 -0.974 6.646 3.976 614 HA VAL 79 HA VAL 79 -0.519 8.053 1.588 615 HB VAL 79 HB VAL 79 -1.593 5.247 1.991 616 1HG1 VAL 79 HG11 VAL 79 -0.865 4.797 -0.295 617 2HG1 VAL 79 HG12 VAL 79 -0.395 6.487 -0.485 618 3HG1 VAL 79 HG13 VAL 79 -2.092 6.065 -0.255 619 1HG2 VAL 79 HG21 VAL 79 1.218 6.206 1.483 620 2HG2 VAL 79 HG22 VAL 79 0.702 4.521 1.589 621 3HG2 VAL 79 HG23 VAL 79 0.593 5.568 3.004 622 H SER 80 HN SER 80 -3.394 6.457 2.870 623 HA SER 80 HA SER 80 -5.075 6.815 0.676 624 1HB SER 80 HB2 SER 80 -5.993 6.830 3.551 625 2HB SER 80 HB1 SER 80 -6.851 6.212 2.137 626 HG SER 80 HG SER 80 -5.927 4.498 3.256 627 H ASP 81 HN ASP 81 -4.431 8.904 3.398 628 HA ASP 81 HA ASP 81 -6.610 10.662 2.982 629 1HB ASP 81 HB2 ASP 81 -5.726 10.569 5.169 630 2HB ASP 81 HB1 ASP 81 -4.075 10.812 4.614 631 H THR 82 HN THR 82 -3.114 10.975 2.200 632 HA THR 82 HA THR 82 -3.712 13.415 0.730 633 HB THR 82 HB THR 82 -1.716 13.557 2.014 634 HG1 THR 82 HG1 THR 82 -1.470 14.632 0.088 635 1HG2 THR 82 HG21 THR 82 -0.774 11.096 0.546 636 2HG2 THR 82 HG22 THR 82 -1.158 11.222 2.263 637 3HG2 THR 82 HG23 THR 82 0.233 12.085 1.604 638 H PHE 83 HN PHE 83 -2.375 10.197 -0.032 639 HA PHE 83 HA PHE 83 -1.844 10.899 -2.743 640 1HB PHE 83 HB2 PHE 83 -1.865 8.195 -1.388 641 2HB PHE 83 HB1 PHE 83 -1.235 8.530 -2.994 642 HD1 PHE 83 HD1 PHE 83 -0.063 7.708 -0.036 643 HD2 PHE 83 HD2 PHE 83 0.220 11.035 -2.685 644 HE1 PHE 83 HE1 PHE 83 2.122 8.280 0.934 645 HE2 PHE 83 HE2 PHE 83 2.421 11.597 -1.725 646 HZ PHE 83 HZ PHE 83 3.338 10.342 0.086 647 H LEU 84 HN LEU 84 -4.488 9.203 -1.174 648 HA LEU 84 HA LEU 84 -5.493 8.104 -3.583 649 1HB LEU 84 HB2 LEU 84 -6.536 8.374 -0.825 650 2HB LEU 84 HB1 LEU 84 -7.655 7.957 -2.112 651 HG LEU 84 HG LEU 84 -5.116 6.447 -1.483 652 1HD1 LEU 84 HD11 LEU 84 -7.974 5.759 -0.858 653 2HD1 LEU 84 HD12 LEU 84 -6.729 6.202 0.309 654 3HD1 LEU 84 HD13 LEU 84 -6.581 4.706 -0.613 655 1HD2 LEU 84 HD21 LEU 84 -5.770 6.293 -3.815 656 2HD2 LEU 84 HD22 LEU 84 -7.404 5.827 -3.341 657 3HD2 LEU 84 HD23 LEU 84 -6.046 4.759 -2.989 658 HA PRO 85 HA PRO 85 -8.362 12.087 -3.681 659 1HB PRO 85 HB2 PRO 85 -6.292 13.910 -2.578 660 2HB PRO 85 HB1 PRO 85 -8.051 13.992 -2.439 661 1HG PRO 85 HG2 PRO 85 -6.544 13.225 -0.383 662 2HG PRO 85 HG1 PRO 85 -8.115 12.468 -0.705 663 1HD PRO 85 HD2 PRO 85 -5.359 11.416 -1.218 664 2HD PRO 85 HD1 PRO 85 -6.829 10.554 -0.711 665 H ARG 86 HN ARG 86 -4.844 11.990 -3.796 666 HA ARG 86 HA ARG 86 -4.470 13.615 -6.075 667 1HB ARG 86 HB2 ARG 86 -2.560 13.199 -4.780 668 2HB ARG 86 HB1 ARG 86 -2.836 11.463 -4.752 669 1HG ARG 86 HG2 ARG 86 -2.267 11.363 -7.146 670 2HG ARG 86 HG1 ARG 86 -1.932 13.096 -7.119 671 1HD ARG 86 HD2 ARG 86 -0.058 12.839 -5.762 672 2HD ARG 86 HD1 ARG 86 -0.566 11.246 -5.201 673 HE ARG 86 HE ARG 86 -0.147 11.082 -7.956 674 1HH1 ARG 86 HH11 ARG 86 1.737 11.725 -5.071 675 2HH1 ARG 86 HH12 ARG 86 3.176 10.986 -5.690 676 1HH2 ARG 86 HH21 ARG 86 1.744 10.085 -8.773 677 2HH2 ARG 86 HH22 ARG 86 3.187 10.042 -7.796 678 H ASN 87 HN ASN 87 -4.904 10.098 -5.744 679 HA ASN 87 HA ASN 87 -5.902 10.083 -8.475 680 1HB ASN 87 HB2 ASN 87 -4.660 8.105 -9.162 681 2HB ASN 87 HB1 ASN 87 -3.564 9.411 -8.754 682 1HD2 ASN 87 HD21 ASN 87 -3.603 9.041 -5.915 683 2HD2 ASN 87 HD22 ASN 87 -2.794 7.555 -5.586 684 HA PRO 88 HA PRO 88 -8.728 7.834 -5.714 685 1HB PRO 88 HB2 PRO 88 -10.816 8.946 -7.406 686 2HB PRO 88 HB1 PRO 88 -10.508 9.240 -5.693 687 1HG PRO 88 HG2 PRO 88 -10.141 11.132 -7.605 688 2HG PRO 88 HG1 PRO 88 -9.185 11.067 -6.114 689 1HD PRO 88 HD2 PRO 88 -8.470 10.115 -8.865 690 2HD PRO 88 HD1 PRO 88 -7.477 10.999 -7.686 691 H SER 89 HN SER 89 -7.376 6.431 -7.657 692 HA SER 89 HA SER 89 -9.341 5.399 -9.560 693 1HB SER 89 HB2 SER 89 -6.966 5.964 -10.225 694 2HB SER 89 HB1 SER 89 -6.439 4.605 -9.237 695 HG SER 89 HG SER 89 -8.250 4.452 -11.427 696 H TRP 90 HN TRP 90 -8.271 4.812 -6.479 697 HA TRP 90 HA TRP 90 -8.661 1.903 -6.619 698 1HB TRP 90 HB2 TRP 90 -7.425 3.414 -4.326 699 2HB TRP 90 HB1 TRP 90 -7.220 1.717 -4.762 700 HD1 TRP 90 HD1 TRP 90 -5.551 4.980 -5.090 701 HE1 TRP 90 HE1 TRP 90 -3.646 4.884 -6.810 702 HE3 TRP 90 HE3 TRP 90 -6.676 0.499 -7.283 703 HZ2 TRP 90 HZ2 TRP 90 -2.736 3.130 -8.836 704 HZ3 TRP 90 HZ3 TRP 90 -5.241 -0.313 -9.110 705 HH2 TRP 90 HH2 TRP 90 -3.313 0.977 -9.870 706 H LYS 91 HN LYS 91 -10.573 4.300 -6.296 707 HA LYS 91 HA LYS 91 -11.844 4.074 -3.801 708 1HB LYS 91 HB2 LYS 91 -12.168 5.911 -5.498 709 2HB LYS 91 HB1 LYS 91 -13.176 4.795 -6.410 710 1HG LYS 91 HG2 LYS 91 -14.614 4.577 -4.367 711 2HG LYS 91 HG1 LYS 91 -13.685 5.902 -3.663 712 1HD LYS 91 HD2 LYS 91 -14.300 7.274 -5.668 713 2HD LYS 91 HD1 LYS 91 -15.383 5.966 -6.152 714 1HE LYS 91 HE2 LYS 91 -15.531 7.670 -3.674 715 2HE LYS 91 HE1 LYS 91 -16.694 7.584 -4.997 716 1HZ LYS 91 HZ1 LYS 91 -17.070 5.225 -4.357 717 2HZ LYS 91 HZ2 LYS 91 -17.554 6.346 -3.185 718 3HZ LYS 91 HZ3 LYS 91 -16.109 5.487 -2.986 719 HA PRO 92 HA PRO 92 -14.637 0.683 -6.081 720 1HB PRO 92 HB2 PRO 92 -12.459 -0.529 -7.691 721 2HB PRO 92 HB1 PRO 92 -14.175 -0.341 -8.073 722 1HG PRO 92 HG2 PRO 92 -12.364 1.211 -9.232 723 2HG PRO 92 HG1 PRO 92 -13.924 1.875 -8.711 724 1HD PRO 92 HD2 PRO 92 -11.238 2.097 -7.409 725 2HD PRO 92 HD1 PRO 92 -12.505 3.327 -7.597 726 H LEU 93 HN LEU 93 -11.642 0.756 -4.581 727 HA LEU 93 HA LEU 93 -11.821 -2.070 -3.774 728 1HB LEU 93 HB2 LEU 93 -9.473 -0.220 -3.393 729 2HB LEU 93 HB1 LEU 93 -9.498 -1.965 -3.218 730 HG LEU 93 HG LEU 93 -9.881 -0.492 -5.816 731 1HD1 LEU 93 HD11 LEU 93 -7.482 -1.975 -4.744 732 2HD1 LEU 93 HD12 LEU 93 -7.610 -0.230 -4.964 733 3HD1 LEU 93 HD13 LEU 93 -7.635 -1.299 -6.367 734 1HD2 LEU 93 HD21 LEU 93 -9.649 -2.691 -6.833 735 2HD2 LEU 93 HD22 LEU 93 -11.019 -2.654 -5.723 736 3HD2 LEU 93 HD23 LEU 93 -9.509 -3.427 -5.235 737 H ILE 94 HN ILE 94 -11.261 1.206 -2.537 738 HA ILE 94 HA ILE 94 -11.750 0.164 0.175 739 HB ILE 94 HB ILE 94 -10.199 1.686 1.078 740 1HG1 ILE 94 HG12 ILE 94 -9.518 3.020 -1.495 741 2HG1 ILE 94 HG11 ILE 94 -11.022 3.496 -0.710 742 1HG2 ILE 94 HG21 ILE 94 -8.119 1.232 -0.112 743 2HG2 ILE 94 HG22 ILE 94 -9.035 0.737 -1.534 744 3HG2 ILE 94 HG23 ILE 94 -9.143 -0.202 -0.045 745 1HD1 ILE 94 HD11 ILE 94 -8.322 3.510 0.601 746 2HD1 ILE 94 HD12 ILE 94 -9.840 4.079 1.298 747 3HD1 ILE 94 HD13 ILE 94 -9.132 4.918 -0.084 748 H HIS 95 HN HIS 95 -11.929 2.495 1.535 749 HA HIS 95 HA HIS 95 -14.458 3.544 1.241 750 1HB HIS 95 HB2 HIS 95 -11.940 4.836 2.325 751 2HB HIS 95 HB1 HIS 95 -13.550 5.526 2.522 752 HD1 HIS 95 HD1 HIS 95 -11.884 4.836 4.989 753 HD2 HIS 95 HD2 HIS 95 -14.579 2.194 3.229 754 HE1 HIS 95 HE1 HIS 95 -12.493 3.195 6.783 755 HE2 HIS 95 HE2 HIS 95 -14.014 1.524 5.673 756 H SER 96 HN SER 96 -11.512 5.338 0.435 757 HA SER 96 HA SER 96 -11.741 5.875 -2.207 758 1HB SER 96 HB2 SER 96 -13.999 6.849 -1.746 759 2HB SER 96 HB1 SER 96 -13.246 8.027 -0.672 760 HG SER 96 HG SER 96 -12.039 8.774 -2.517 761 H GLU 97 HN GLU 97 -11.374 7.304 0.917 762 HA GLU 97 HA GLU 97 -8.654 8.135 0.348 763 1HB GLU 97 HB2 GLU 97 -10.169 10.081 -0.012 764 2HB GLU 97 HB1 GLU 97 -10.789 9.885 1.621 765 1HG GLU 97 HG2 GLU 97 -8.365 10.253 2.365 766 2HG GLU 97 HG1 GLU 97 -8.102 10.844 0.723 767 H VAL 98 HN VAL 98 -8.761 9.398 3.131 768 HA VAL 98 HA VAL 98 -8.188 7.050 4.596 769 HB VAL 98 HB VAL 98 -7.033 8.986 5.282 770 1HG1 VAL 98 HG11 VAL 98 -8.128 11.022 6.102 771 2HG1 VAL 98 HG12 VAL 98 -9.697 10.334 5.685 772 3HG1 VAL 98 HG13 VAL 98 -8.522 10.686 4.417 773 1HG2 VAL 98 HG21 VAL 98 -7.656 7.530 7.132 774 2HG2 VAL 98 HG22 VAL 98 -9.151 8.437 7.359 775 3HG2 VAL 98 HG23 VAL 98 -7.595 9.214 7.656 776 H PHE 99 HN PHE 99 -11.056 9.172 4.523 777 HA PHE 99 HA PHE 99 -12.563 7.069 5.868 778 1HB PHE 99 HB2 PHE 99 -13.376 8.445 7.646 779 2HB PHE 99 HB1 PHE 99 -11.623 8.591 7.647 780 HD1 PHE 99 HD1 PHE 99 -10.564 10.653 6.720 781 HD2 PHE 99 HD2 PHE 99 -14.764 10.331 7.314 782 HE1 PHE 99 HE1 PHE 99 -10.761 13.101 6.634 783 HE2 PHE 99 HE2 PHE 99 -14.968 12.780 7.221 784 HZ PHE 99 HZ PHE 99 -12.987 14.161 6.782 785 H LYS 100 HN LYS 100 -12.512 10.071 4.063 786 HA LYS 100 HA LYS 100 -15.330 10.482 4.192 787 1HB LYS 100 HB2 LYS 100 -14.945 12.370 2.707 788 2HB LYS 100 HB1 LYS 100 -13.759 12.356 4.000 789 1HG LYS 100 HG2 LYS 100 -12.444 12.875 2.206 790 2HG LYS 100 HG1 LYS 100 -12.281 11.119 2.226 791 1HD LYS 100 HD2 LYS 100 -13.984 10.919 0.500 792 2HD LYS 100 HD1 LYS 100 -14.233 12.665 0.515 793 1HE LYS 100 HE2 LYS 100 -11.683 11.254 -0.250 794 2HE LYS 100 HE1 LYS 100 -12.854 11.943 -1.374 795 1HZ LYS 100 HZ1 LYS 100 -12.399 14.089 0.015 796 2HZ LYS 100 HZ2 LYS 100 -11.340 13.619 -1.221 797 3HZ LYS 100 HZ3 LYS 100 -10.941 13.297 0.398 798 H SER 101 HN SER 101 -16.581 10.878 2.117 799 HA SER 101 HA SER 101 -17.432 10.258 0.112 800 1HB SER 101 HB2 SER 101 -15.190 10.255 -0.827 801 2HB SER 101 HB1 SER 101 -14.895 8.635 -0.195 802 HG SER 101 HG SER 101 -15.870 9.255 -2.534 803 H SER 102 HN SER 102 -16.115 7.680 2.129 804 HA SER 102 HA SER 102 -18.564 6.155 1.559 805 1HB SER 102 HB2 SER 102 -15.790 5.158 2.198 806 2HB SER 102 HB1 SER 102 -17.221 4.131 2.293 807 HG SER 102 HG SER 102 -15.864 5.075 0.083 808 H ILE 103 HN ILE 103 -19.193 4.693 3.408 809 HA ILE 103 HA ILE 103 -19.955 4.442 5.529 810 HB ILE 103 HB ILE 103 -17.632 6.187 6.380 811 1HG1 ILE 103 HG12 ILE 103 -17.855 3.168 6.252 812 2HG1 ILE 103 HG11 ILE 103 -16.902 4.167 5.161 813 1HG2 ILE 103 HG21 ILE 103 -19.384 6.044 8.071 814 2HG2 ILE 103 HG22 ILE 103 -17.951 5.148 8.579 815 3HG2 ILE 103 HG23 ILE 103 -19.359 4.283 7.965 816 1HD1 ILE 103 HD11 ILE 103 -15.496 4.868 7.022 817 2HD1 ILE 103 HD12 ILE 103 -15.516 3.113 6.857 818 3HD1 ILE 103 HD13 ILE 103 -16.462 3.889 8.126 Start of MODEL 8 1 1H MET 1 HT1 MET 1 3.083 -4.792 -15.670 2 2H MET 1 HT2 MET 1 4.098 -4.876 -17.028 3 3H MET 1 HT3 MET 1 2.787 -5.941 -16.886 4 HA MET 1 HA MET 1 2.240 -4.254 -18.460 5 1HB MET 1 HB2 MET 1 0.829 -3.744 -15.830 6 2HB MET 1 HB1 MET 1 0.213 -3.334 -17.424 7 1HG MET 1 HG2 MET 1 0.142 -5.708 -18.001 8 2HG MET 1 HG1 MET 1 0.740 -6.111 -16.392 9 1HE MET 1 HE1 MET 1 -1.236 -7.722 -15.886 10 2HE MET 1 HE2 MET 1 -1.856 -7.449 -17.515 11 3HE MET 1 HE3 MET 1 -2.937 -7.317 -16.126 12 H ALA 2 HN ALA 2 2.492 -2.625 -15.291 13 HA ALA 2 HA ALA 2 3.475 -0.233 -16.716 14 1HB ALA 2 HB1 ALA 2 1.779 -0.354 -14.221 15 2HB ALA 2 HB2 ALA 2 1.213 0.078 -15.833 16 3HB ALA 2 HB3 ALA 2 2.369 1.116 -14.996 17 H THR 3 HN THR 3 5.017 -2.433 -15.587 18 HA THR 3 HA THR 3 6.044 -2.271 -13.091 19 HB THR 3 HB THR 3 7.834 -2.605 -15.490 20 HG1 THR 3 HG1 THR 3 6.800 -4.396 -15.977 21 1HG2 THR 3 HG21 THR 3 8.950 -4.247 -14.065 22 2HG2 THR 3 HG22 THR 3 7.783 -3.939 -12.778 23 3HG2 THR 3 HG23 THR 3 8.900 -2.669 -13.279 24 H GLU 4 HN GLU 4 6.741 -0.662 -11.935 25 HA GLU 4 HA GLU 4 7.861 1.713 -13.138 26 1HB GLU 4 HB2 GLU 4 7.300 1.029 -10.245 27 2HB GLU 4 HB1 GLU 4 7.778 2.611 -10.842 28 1HG GLU 4 HG2 GLU 4 5.689 2.601 -12.235 29 2HG GLU 4 HG1 GLU 4 5.208 1.145 -11.363 30 HA PRO 5 HA PRO 5 12.217 1.260 -12.251 31 1HB PRO 5 HB2 PRO 5 11.896 3.420 -10.213 32 2HB PRO 5 HB1 PRO 5 13.102 3.248 -11.493 33 1HG PRO 5 HG2 PRO 5 11.077 4.931 -11.794 34 2HG PRO 5 HG1 PRO 5 11.629 3.935 -13.155 35 1HD PRO 5 HD2 PRO 5 9.207 3.626 -11.440 36 2HD PRO 5 HD1 PRO 5 9.419 3.284 -13.169 37 HA PRO 6 HA PRO 6 12.282 0.423 -7.482 38 1HB PRO 6 HB2 PRO 6 9.897 0.203 -6.185 39 2HB PRO 6 HB1 PRO 6 10.814 1.711 -6.274 40 1HG PRO 6 HG2 PRO 6 8.456 0.825 -7.879 41 2HG PRO 6 HG1 PRO 6 8.816 2.423 -7.203 42 1HD PRO 6 HD2 PRO 6 9.212 1.800 -9.814 43 2HD PRO 6 HD1 PRO 6 10.213 2.983 -8.937 44 H LYS 7 HN LYS 7 12.234 -1.641 -6.516 45 HA LYS 7 HA LYS 7 10.732 -3.645 -8.059 46 1HB LYS 7 HB2 LYS 7 13.424 -3.960 -6.714 47 2HB LYS 7 HB1 LYS 7 12.542 -5.241 -7.518 48 1HG LYS 7 HG2 LYS 7 13.383 -2.757 -8.968 49 2HG LYS 7 HG1 LYS 7 14.461 -4.137 -8.774 50 1HD LYS 7 HD2 LYS 7 13.431 -4.428 -10.874 51 2HD LYS 7 HD1 LYS 7 12.613 -5.548 -9.783 52 1HE LYS 7 HE2 LYS 7 10.787 -3.929 -9.516 53 2HE LYS 7 HE1 LYS 7 11.607 -2.835 -10.630 54 1HZ LYS 7 HZ1 LYS 7 11.414 -4.518 -12.357 55 2HZ LYS 7 HZ2 LYS 7 9.893 -4.087 -11.752 56 3HZ LYS 7 HZ3 LYS 7 10.599 -5.552 -11.289 57 H ILE 8 HN ILE 8 8.987 -3.586 -6.678 58 HA ILE 8 HA ILE 8 9.487 -3.866 -3.837 59 HB ILE 8 HB ILE 8 6.799 -3.670 -5.192 60 1HG1 ILE 8 HG12 ILE 8 8.215 -1.750 -5.843 61 2HG1 ILE 8 HG11 ILE 8 6.890 -1.255 -4.793 62 1HG2 ILE 8 HG21 ILE 8 6.699 -4.435 -2.908 63 2HG2 ILE 8 HG22 ILE 8 6.118 -2.771 -2.988 64 3HG2 ILE 8 HG23 ILE 8 7.741 -3.112 -2.385 65 1HD1 ILE 8 HD11 ILE 8 8.415 -1.118 -2.916 66 2HD1 ILE 8 HD12 ILE 8 8.998 -0.133 -4.259 67 3HD1 ILE 8 HD13 ILE 8 9.737 -1.700 -3.926 68 H VAL 9 HN VAL 9 9.630 -5.817 -2.956 69 HA VAL 9 HA VAL 9 8.849 -8.123 -4.561 70 HB VAL 9 HB VAL 9 10.392 -7.997 -1.963 71 1HG1 VAL 9 HG11 VAL 9 11.080 -10.290 -2.518 72 2HG1 VAL 9 HG12 VAL 9 9.996 -10.267 -3.909 73 3HG1 VAL 9 HG13 VAL 9 9.337 -10.162 -2.277 74 1HG2 VAL 9 HG21 VAL 9 11.343 -8.255 -4.807 75 2HG2 VAL 9 HG22 VAL 9 12.362 -8.388 -3.373 76 3HG2 VAL 9 HG23 VAL 9 11.562 -6.861 -3.749 77 H TRP 10 HN TRP 10 7.145 -9.364 -4.140 78 HA TRP 10 HA TRP 10 5.587 -8.789 -1.755 79 1HB TRP 10 HB2 TRP 10 4.344 -8.955 -3.824 80 2HB TRP 10 HB1 TRP 10 4.996 -10.564 -4.129 81 HD1 TRP 10 HD1 TRP 10 3.592 -9.409 -0.734 82 HE1 TRP 10 HE1 TRP 10 1.560 -10.864 -0.147 83 HE3 TRP 10 HE3 TRP 10 3.232 -12.075 -5.082 84 HZ2 TRP 10 HZ2 TRP 10 -0.003 -12.875 -1.371 85 HZ3 TRP 10 HZ3 TRP 10 1.436 -13.745 -5.290 86 HH2 TRP 10 HH2 TRP 10 -0.145 -14.137 -3.475 87 H ASN 11 HN ASN 11 6.207 -9.758 0.015 88 HA ASN 11 HA ASN 11 7.333 -12.443 -0.098 89 1HB ASN 11 HB2 ASN 11 8.223 -10.458 1.336 90 2HB ASN 11 HB1 ASN 11 6.891 -10.853 2.416 91 1HD2 ASN 11 HD21 ASN 11 7.009 -12.625 3.675 92 2HD2 ASN 11 HD22 ASN 11 8.404 -13.643 3.789 93 H GLU 12 HN GLU 12 5.513 -13.544 -0.722 94 HA GLU 12 HA GLU 12 2.925 -13.104 0.171 95 1HB GLU 12 HB2 GLU 12 2.447 -15.336 -0.867 96 2HB GLU 12 HB1 GLU 12 3.259 -14.171 -1.903 97 1HG GLU 12 HG2 GLU 12 5.415 -15.294 -1.348 98 2HG GLU 12 HG1 GLU 12 4.484 -16.537 -0.510 99 H GLY 13 HN GLY 13 5.420 -15.058 1.669 100 1HA GLY 13 HA2 GLY 13 3.658 -16.764 3.118 101 2HA GLY 13 HA1 GLY 13 5.342 -16.439 3.512 102 H LYS 14 HN LYS 14 4.569 -13.494 3.466 103 HA LYS 14 HA LYS 14 3.479 -13.417 6.205 104 1HB LYS 14 HB2 LYS 14 5.571 -11.703 4.864 105 2HB LYS 14 HB1 LYS 14 4.764 -11.211 6.343 106 1HG LYS 14 HG2 LYS 14 6.920 -12.164 6.829 107 2HG LYS 14 HG1 LYS 14 5.643 -13.193 7.481 108 1HD LYS 14 HD2 LYS 14 5.899 -14.701 5.571 109 2HD LYS 14 HD1 LYS 14 7.157 -13.659 4.909 110 1HE LYS 14 HE2 LYS 14 7.261 -15.146 7.520 111 2HE LYS 14 HE1 LYS 14 8.119 -15.580 6.048 112 1HZ LYS 14 HZ1 LYS 14 9.494 -14.378 7.705 113 2HZ LYS 14 HZ2 LYS 14 8.521 -13.012 7.489 114 3HZ LYS 14 HZ3 LYS 14 9.437 -13.610 6.196 115 H ARG 15 HN ARG 15 2.800 -12.747 3.057 116 HA ARG 15 HA ARG 15 1.366 -11.411 1.907 117 1HB ARG 15 HB2 ARG 15 0.097 -10.874 4.599 118 2HB ARG 15 HB1 ARG 15 -0.664 -10.711 3.022 119 1HG ARG 15 HG2 ARG 15 -0.557 -13.095 2.685 120 2HG ARG 15 HG1 ARG 15 0.318 -13.287 4.204 121 1HD ARG 15 HD2 ARG 15 -1.617 -12.372 5.410 122 2HD ARG 15 HD1 ARG 15 -2.496 -12.264 3.884 123 HE ARG 15 HE ARG 15 -2.231 -14.733 3.746 124 1HH1 ARG 15 HH11 ARG 15 -2.083 -13.105 6.843 125 2HH1 ARG 15 HH12 ARG 15 -2.577 -14.506 7.744 126 1HH2 ARG 15 HH21 ARG 15 -2.870 -16.578 4.943 127 2HH2 ARG 15 HH22 ARG 15 -3.033 -16.465 6.670 128 H ARG 16 HN ARG 16 3.732 -10.219 2.412 129 HA ARG 16 HA ARG 16 2.968 -7.443 2.931 130 1HB ARG 16 HB2 ARG 16 4.591 -7.087 4.547 131 2HB ARG 16 HB1 ARG 16 4.065 -8.717 4.924 132 1HG ARG 16 HG2 ARG 16 6.011 -9.531 3.537 133 2HG ARG 16 HG1 ARG 16 6.588 -7.864 3.544 134 1HD ARG 16 HD2 ARG 16 6.212 -9.722 5.880 135 2HD ARG 16 HD1 ARG 16 7.699 -8.965 5.320 136 HE ARG 16 HE ARG 16 5.489 -7.541 6.657 137 1HH1 ARG 16 HH11 ARG 16 8.865 -7.832 5.789 138 2HH1 ARG 16 HH12 ARG 16 9.386 -6.559 6.857 139 1HH2 ARG 16 HH21 ARG 16 6.162 -5.881 8.100 140 2HH2 ARG 16 HH22 ARG 16 7.846 -5.469 8.187 141 H PHE 17 HN PHE 17 4.309 -5.895 1.909 142 HA PHE 17 HA PHE 17 5.972 -7.006 -0.254 143 1HB PHE 17 HB2 PHE 17 4.739 -4.248 -0.043 144 2HB PHE 17 HB1 PHE 17 5.695 -4.848 -1.390 145 HD1 PHE 17 HD1 PHE 17 2.462 -4.292 -0.215 146 HD2 PHE 17 HD2 PHE 17 4.763 -7.073 -2.467 147 HE1 PHE 17 HE1 PHE 17 0.407 -5.121 -1.284 148 HE2 PHE 17 HE2 PHE 17 2.714 -7.899 -3.543 149 HZ PHE 17 HZ PHE 17 0.532 -6.880 -2.987 150 H GLU 18 HN GLU 18 8.028 -6.155 -0.601 151 HA GLU 18 HA GLU 18 9.035 -4.164 1.286 152 1HB GLU 18 HB2 GLU 18 9.452 -6.663 2.007 153 2HB GLU 18 HB1 GLU 18 10.692 -6.595 0.767 154 1HG GLU 18 HG2 GLU 18 11.829 -4.833 1.893 155 2HG GLU 18 HG1 GLU 18 10.527 -4.691 3.075 156 H THR 19 HN THR 19 10.120 -2.678 0.240 157 HA THR 19 HA THR 19 10.552 -2.760 -2.550 158 HB THR 19 HB THR 19 10.326 -0.663 -1.205 159 HG1 THR 19 HG1 THR 19 11.175 -0.067 -3.072 160 1HG2 THR 19 HG21 THR 19 13.138 -1.325 -0.334 161 2HG2 THR 19 HG22 THR 19 11.711 -1.226 0.697 162 3HG2 THR 19 HG23 THR 19 12.335 0.226 -0.087 163 H GLU 20 HN GLU 20 12.702 -2.448 -3.541 164 HA GLU 20 HA GLU 20 14.402 -4.632 -3.148 165 1HB GLU 20 HB2 GLU 20 15.778 -3.576 -4.838 166 2HB GLU 20 HB1 GLU 20 14.078 -3.366 -5.252 167 1HG GLU 20 HG2 GLU 20 14.243 -1.101 -4.116 168 2HG GLU 20 HG1 GLU 20 15.990 -1.333 -4.160 169 H ASP 21 HN ASP 21 14.073 -1.923 -1.333 170 HA ASP 21 HA ASP 21 16.891 -1.709 -0.598 171 1HB ASP 21 HB2 ASP 21 15.534 0.322 -1.221 172 2HB ASP 21 HB1 ASP 21 14.567 0.041 0.217 173 H HIS 22 HN HIS 22 13.949 -3.042 0.377 174 HA HIS 22 HA HIS 22 13.292 -4.343 2.107 175 1HB HIS 22 HB2 HIS 22 16.189 -4.184 2.963 176 2HB HIS 22 HB1 HIS 22 14.993 -5.291 3.630 177 HD1 HIS 22 HD1 HIS 22 14.100 -7.174 1.981 178 HD2 HIS 22 HD2 HIS 22 17.341 -4.958 0.602 179 HE1 HIS 22 HE1 HIS 22 15.072 -8.496 0.063 180 HE2 HIS 22 HE2 HIS 22 16.888 -7.019 -0.886 181 H GLU 23 HN GLU 23 14.766 -1.334 2.702 182 HA GLU 23 HA GLU 23 14.143 -1.113 5.472 183 1HB GLU 23 HB2 GLU 23 14.610 1.045 3.408 184 2HB GLU 23 HB1 GLU 23 14.616 1.270 5.152 185 1HG GLU 23 HG2 GLU 23 16.536 -0.479 3.628 186 2HG GLU 23 HG1 GLU 23 16.868 1.166 4.178 187 H ALA 24 HN ALA 24 12.522 -0.337 2.472 188 HA ALA 24 HA ALA 24 10.206 0.713 3.918 189 1HB ALA 24 HB1 ALA 24 10.795 0.642 0.962 190 2HB ALA 24 HB2 ALA 24 10.948 2.044 2.022 191 3HB ALA 24 HB3 ALA 24 9.358 1.347 1.700 192 H PHE 25 HN PHE 25 8.343 -0.392 4.075 193 HA PHE 25 HA PHE 25 7.843 -2.707 2.436 194 1HB PHE 25 HB2 PHE 25 7.593 -4.222 4.429 195 2HB PHE 25 HB1 PHE 25 9.253 -3.777 4.047 196 HD1 PHE 25 HD1 PHE 25 6.475 -3.311 6.412 197 HD2 PHE 25 HD2 PHE 25 10.555 -2.441 5.558 198 HE1 PHE 25 HE1 PHE 25 6.789 -2.534 8.725 199 HE2 PHE 25 HE2 PHE 25 10.871 -1.659 7.870 200 HZ PHE 25 HZ PHE 25 8.986 -1.706 9.454 201 H ILE 26 HN ILE 26 5.775 -3.659 2.848 202 HA ILE 26 HA ILE 26 3.881 -2.035 4.388 203 HB ILE 26 HB ILE 26 3.897 -2.503 1.476 204 1HG1 ILE 26 HG12 ILE 26 3.795 -0.326 3.036 205 2HG1 ILE 26 HG11 ILE 26 3.166 -0.354 1.393 206 1HG2 ILE 26 HG21 ILE 26 2.121 -4.068 2.014 207 2HG2 ILE 26 HG22 ILE 26 1.427 -2.624 1.279 208 3HG2 ILE 26 HG23 ILE 26 1.319 -2.863 3.026 209 1HD1 ILE 26 HD11 ILE 26 0.931 -0.784 2.280 210 2HD1 ILE 26 HD12 ILE 26 1.622 0.718 2.894 211 3HD1 ILE 26 HD13 ILE 26 1.584 -0.716 3.917 212 H GLU 27 HN GLU 27 2.579 -3.265 5.617 213 HA GLU 27 HA GLU 27 2.553 -6.165 5.068 214 1HB GLU 27 HB2 GLU 27 3.346 -5.429 7.311 215 2HB GLU 27 HB1 GLU 27 1.791 -4.655 7.587 216 1HG GLU 27 HG2 GLU 27 0.718 -6.887 7.349 217 2HG GLU 27 HG1 GLU 27 2.330 -7.600 7.268 218 H TYR 28 HN TYR 28 0.481 -7.248 4.946 219 HA TYR 28 HA TYR 28 -1.846 -5.670 5.547 220 1HB TYR 28 HB2 TYR 28 -2.954 -5.853 3.417 221 2HB TYR 28 HB1 TYR 28 -1.420 -5.033 3.201 222 HD1 TYR 28 HD1 TYR 28 -3.315 -8.108 2.518 223 HD2 TYR 28 HD2 TYR 28 0.326 -6.006 1.847 224 HE1 TYR 28 HE1 TYR 28 -2.715 -9.712 0.753 225 HE2 TYR 28 HE2 TYR 28 0.925 -7.598 0.072 226 HH TYR 28 HH TYR 28 -1.306 -9.927 -1.149 227 H LYS 29 HN LYS 29 -3.810 -6.886 5.571 228 HA LYS 29 HA LYS 29 -3.439 -9.787 5.568 229 1HB LYS 29 HB2 LYS 29 -4.796 -9.939 7.667 230 2HB LYS 29 HB1 LYS 29 -3.209 -9.222 7.892 231 1HG LYS 29 HG2 LYS 29 -5.395 -7.321 7.383 232 2HG LYS 29 HG1 LYS 29 -5.486 -8.208 8.906 233 1HD LYS 29 HD2 LYS 29 -3.087 -6.638 7.951 234 2HD LYS 29 HD1 LYS 29 -4.280 -6.055 9.114 235 1HE LYS 29 HE2 LYS 29 -3.713 -8.002 10.561 236 2HE LYS 29 HE1 LYS 29 -2.426 -8.414 9.432 237 1HZ LYS 29 HZ1 LYS 29 -1.684 -7.131 11.393 238 2HZ LYS 29 HZ2 LYS 29 -2.619 -5.817 10.868 239 3HZ LYS 29 HZ3 LYS 29 -1.318 -6.370 9.927 240 H MET 30 HN MET 30 -5.316 -10.957 5.096 241 HA MET 30 HA MET 30 -7.274 -9.332 3.636 242 1HB MET 30 HB2 MET 30 -6.921 -12.347 3.685 243 2HB MET 30 HB1 MET 30 -7.948 -11.433 2.587 244 1HG MET 30 HG2 MET 30 -5.980 -10.377 1.615 245 2HG MET 30 HG1 MET 30 -4.946 -11.279 2.723 246 1HE MET 30 HE1 MET 30 -4.114 -13.089 -0.604 247 2HE MET 30 HE2 MET 30 -3.473 -12.327 0.852 248 3HE MET 30 HE3 MET 30 -4.353 -11.363 -0.334 249 H ARG 31 HN ARG 31 -9.001 -8.747 4.690 250 HA ARG 31 HA ARG 31 -9.940 -10.307 6.991 251 1HB ARG 31 HB2 ARG 31 -10.357 -7.440 6.134 252 2HB ARG 31 HB1 ARG 31 -11.233 -8.176 7.471 253 1HG ARG 31 HG2 ARG 31 -9.213 -8.494 8.708 254 2HG ARG 31 HG1 ARG 31 -8.226 -8.048 7.318 255 1HD ARG 31 HD2 ARG 31 -8.305 -6.220 8.900 256 2HD ARG 31 HD1 ARG 31 -9.151 -5.771 7.420 257 HE ARG 31 HE ARG 31 -10.989 -6.825 9.282 258 1HH1 ARG 31 HH11 ARG 31 -8.959 -3.996 8.793 259 2HH1 ARG 31 HH12 ARG 31 -10.060 -2.926 9.623 260 1HH2 ARG 31 HH21 ARG 31 -12.419 -5.423 10.373 261 2HH2 ARG 31 HH22 ARG 31 -12.011 -3.742 10.537 262 H ASN 32 HN ASN 32 -12.298 -10.423 7.294 263 HA ASN 32 HA ASN 32 -14.383 -11.039 6.628 264 1HB ASN 32 HB2 ASN 32 -14.304 -8.630 5.812 265 2HB ASN 32 HB1 ASN 32 -13.926 -9.280 4.217 266 1HD2 ASN 32 HD21 ASN 32 -15.794 -8.294 3.451 267 2HD2 ASN 32 HD22 ASN 32 -17.353 -9.004 3.696 268 H ASN 33 HN ASN 33 -13.093 -13.103 6.226 269 HA ASN 33 HA ASN 33 -12.851 -15.038 5.056 270 1HB ASN 33 HB2 ASN 33 -15.222 -14.611 4.419 271 2HB ASN 33 HB1 ASN 33 -14.657 -13.758 2.987 272 1HD2 ASN 33 HD21 ASN 33 -15.595 -15.146 1.538 273 2HD2 ASN 33 HD22 ASN 33 -15.071 -16.779 1.311 274 H GLY 34 HN GLY 34 -11.503 -12.259 4.227 275 1HA GLY 34 HA2 GLY 34 -9.423 -12.062 3.142 276 2HA GLY 34 HA1 GLY 34 -9.777 -13.531 2.245 277 H LYS 35 HN LYS 35 -12.243 -11.134 2.438 278 HA LYS 35 HA LYS 35 -11.914 -10.674 -0.430 279 1HB LYS 35 HB2 LYS 35 -14.238 -9.810 1.285 280 2HB LYS 35 HB1 LYS 35 -14.191 -9.958 -0.466 281 1HG LYS 35 HG2 LYS 35 -14.216 -12.153 1.580 282 2HG LYS 35 HG1 LYS 35 -15.428 -11.794 0.349 283 1HD LYS 35 HD2 LYS 35 -12.617 -12.774 -0.170 284 2HD LYS 35 HD1 LYS 35 -14.088 -13.744 -0.279 285 1HE LYS 35 HE2 LYS 35 -13.529 -11.292 -1.941 286 2HE LYS 35 HE1 LYS 35 -13.223 -12.944 -2.474 287 1HZ LYS 35 HZ1 LYS 35 -15.356 -12.041 -3.266 288 2HZ LYS 35 HZ2 LYS 35 -15.891 -11.916 -1.661 289 3HZ LYS 35 HZ3 LYS 35 -15.542 -13.438 -2.324 290 H VAL 36 HN VAL 36 -11.286 -9.164 2.526 291 HA VAL 36 HA VAL 36 -10.943 -6.595 1.128 292 HB VAL 36 HB VAL 36 -11.586 -7.030 4.051 293 1HG1 VAL 36 HG11 VAL 36 -11.664 -4.583 4.212 294 2HG1 VAL 36 HG12 VAL 36 -11.108 -4.458 2.544 295 3HG1 VAL 36 HG13 VAL 36 -10.055 -5.159 3.775 296 1HG2 VAL 36 HG21 VAL 36 -13.666 -5.823 3.537 297 2HG2 VAL 36 HG22 VAL 36 -13.529 -7.325 2.623 298 3HG2 VAL 36 HG23 VAL 36 -13.209 -5.780 1.835 299 H MET 37 HN MET 37 -8.869 -6.019 0.910 300 HA MET 37 HA MET 37 -6.871 -7.304 2.607 301 1HB MET 37 HB2 MET 37 -6.692 -5.641 0.098 302 2HB MET 37 HB1 MET 37 -5.268 -6.012 1.062 303 1HG MET 37 HG2 MET 37 -5.801 -8.431 0.774 304 2HG MET 37 HG1 MET 37 -7.074 -7.953 -0.348 305 1HE MET 37 HE1 MET 37 -4.693 -9.967 -1.070 306 2HE MET 37 HE2 MET 37 -4.272 -9.410 -2.691 307 3HE MET 37 HE3 MET 37 -5.965 -9.520 -2.207 308 H ASP 38 HN ASP 38 -6.379 -6.389 4.439 309 HA ASP 38 HA ASP 38 -6.764 -3.530 4.795 310 1HB ASP 38 HB2 ASP 38 -7.414 -5.290 6.505 311 2HB ASP 38 HB1 ASP 38 -5.694 -5.536 6.784 312 H LEU 39 HN LEU 39 -5.232 -2.329 3.986 313 HA LEU 39 HA LEU 39 -2.502 -3.249 3.785 314 1HB LEU 39 HB2 LEU 39 -3.989 -0.792 2.906 315 2HB LEU 39 HB1 LEU 39 -2.234 -0.804 2.909 316 HG LEU 39 HG LEU 39 -2.142 -2.503 1.267 317 1HD1 LEU 39 HD11 LEU 39 -3.926 -3.942 2.085 318 2HD1 LEU 39 HD12 LEU 39 -4.077 -3.637 0.354 319 3HD1 LEU 39 HD13 LEU 39 -5.124 -2.790 1.494 320 1HD2 LEU 39 HD21 LEU 39 -4.324 -0.564 0.550 321 2HD2 LEU 39 HD22 LEU 39 -3.357 -1.494 -0.596 322 3HD2 LEU 39 HD23 LEU 39 -2.590 -0.276 0.422 323 H VAL 40 HN VAL 40 -1.384 -3.263 5.602 324 HA VAL 40 HA VAL 40 -1.964 -1.137 7.532 325 HB VAL 40 HB VAL 40 -2.895 -3.231 8.272 326 1HG1 VAL 40 HG11 VAL 40 -1.497 -5.165 8.826 327 2HG1 VAL 40 HG12 VAL 40 -0.117 -4.358 8.080 328 3HG1 VAL 40 HG13 VAL 40 -1.512 -4.811 7.098 329 1HG2 VAL 40 HG21 VAL 40 -0.449 -2.485 9.858 330 2HG2 VAL 40 HG22 VAL 40 -1.823 -3.408 10.469 331 3HG2 VAL 40 HG23 VAL 40 -2.039 -1.729 9.972 332 H HIS 41 HN HIS 41 -0.355 0.202 7.439 333 HA HIS 41 HA HIS 41 1.554 1.038 8.293 334 1HB HIS 41 HB2 HIS 41 1.662 -1.183 9.647 335 2HB HIS 41 HB1 HIS 41 2.887 -1.631 8.468 336 HD1 HIS 41 HD1 HIS 41 2.707 -0.341 11.698 337 HD2 HIS 41 HD2 HIS 41 4.857 0.772 8.317 338 HE1 HIS 41 HE1 HIS 41 4.633 1.034 12.542 339 HE2 HIS 41 HE2 HIS 41 5.727 1.935 10.459 340 H THR 42 HN THR 42 1.971 2.083 6.451 341 HA THR 42 HA THR 42 3.820 0.898 4.540 342 HB THR 42 HB THR 42 2.140 2.563 3.741 343 HG1 THR 42 HG1 THR 42 3.541 3.326 2.344 344 1HG2 THR 42 HG21 THR 42 2.010 3.960 5.735 345 2HG2 THR 42 HG22 THR 42 2.421 4.934 4.323 346 3HG2 THR 42 HG23 THR 42 3.675 4.490 5.486 347 H TYR 43 HN TYR 43 6.017 1.222 4.612 348 HA TYR 43 HA TYR 43 7.020 3.305 6.393 349 1HB TYR 43 HB2 TYR 43 6.986 0.972 7.523 350 2HB TYR 43 HB1 TYR 43 8.334 0.602 6.448 351 HD1 TYR 43 HD1 TYR 43 7.373 3.590 8.509 352 HD2 TYR 43 HD2 TYR 43 10.331 0.700 7.520 353 HE1 TYR 43 HE1 TYR 43 8.938 4.655 10.080 354 HE2 TYR 43 HE2 TYR 43 11.897 1.747 9.078 355 HH TYR 43 HH TYR 43 10.911 4.099 11.368 356 H VAL 44 HN VAL 44 9.022 4.136 5.805 357 HA VAL 44 HA VAL 44 10.428 3.031 3.546 358 HB VAL 44 HB VAL 44 8.561 4.344 2.524 359 1HG1 VAL 44 HG11 VAL 44 8.325 6.104 4.166 360 2HG1 VAL 44 HG12 VAL 44 8.647 6.791 2.573 361 3HG1 VAL 44 HG13 VAL 44 9.935 6.712 3.777 362 1HG2 VAL 44 HG21 VAL 44 9.942 5.575 0.921 363 2HG2 VAL 44 HG22 VAL 44 10.604 3.979 1.276 364 3HG2 VAL 44 HG23 VAL 44 11.325 5.417 2.001 365 HA PRO 45 HA PRO 45 13.706 4.859 5.926 366 1HB PRO 45 HB2 PRO 45 15.707 4.677 4.124 367 2HB PRO 45 HB1 PRO 45 15.047 3.256 4.944 368 1HG PRO 45 HG2 PRO 45 14.403 4.328 2.216 369 2HG PRO 45 HG1 PRO 45 14.773 2.660 2.696 370 1HD PRO 45 HD2 PRO 45 12.242 3.493 2.342 371 2HD PRO 45 HD1 PRO 45 12.669 2.323 3.610 372 H SER 46 HN SER 46 15.462 6.557 5.633 373 HA SER 46 HA SER 46 14.182 8.973 4.916 374 1HB SER 46 HB2 SER 46 17.115 8.529 5.510 375 2HB SER 46 HB1 SER 46 16.228 10.049 5.640 376 HG SER 46 HG SER 46 16.039 9.393 7.654 377 H PHE 47 HN PHE 47 15.983 6.747 3.106 378 HA PHE 47 HA PHE 47 17.172 8.475 1.192 379 1HB PHE 47 HB2 PHE 47 16.306 5.617 0.785 380 2HB PHE 47 HB1 PHE 47 17.558 6.478 -0.100 381 HD1 PHE 47 HD1 PHE 47 16.966 4.154 2.431 382 HD2 PHE 47 HD2 PHE 47 19.478 7.445 1.455 383 HE1 PHE 47 HE1 PHE 47 18.651 3.339 4.027 384 HE2 PHE 47 HE2 PHE 47 21.167 6.635 3.048 385 HZ PHE 47 HZ PHE 47 20.737 4.530 4.328 386 H LYS 48 HN LYS 48 13.998 7.031 1.507 387 HA LYS 48 HA LYS 48 13.209 8.206 -1.074 388 1HB LYS 48 HB2 LYS 48 12.612 5.410 -0.090 389 2HB LYS 48 HB1 LYS 48 11.785 6.161 -1.447 390 1HG LYS 48 HG2 LYS 48 13.790 6.257 -2.722 391 2HG LYS 48 HG1 LYS 48 14.767 5.791 -1.330 392 1HD LYS 48 HD2 LYS 48 12.635 4.023 -2.508 393 2HD LYS 48 HD1 LYS 48 14.319 3.976 -3.031 394 1HE LYS 48 HE2 LYS 48 13.337 3.508 -0.212 395 2HE LYS 48 HE1 LYS 48 13.823 2.251 -1.351 396 1HZ LYS 48 HZ1 LYS 48 15.605 2.783 0.206 397 2HZ LYS 48 HZ2 LYS 48 15.592 4.399 -0.308 398 3HZ LYS 48 HZ3 LYS 48 16.053 3.177 -1.385 399 H ARG 49 HN ARG 49 12.875 8.886 1.803 400 HA ARG 49 HA ARG 49 10.342 8.251 2.781 401 1HB ARG 49 HB2 ARG 49 10.692 10.235 4.269 402 2HB ARG 49 HB1 ARG 49 12.021 9.080 4.263 403 1HG ARG 49 HG2 ARG 49 13.187 10.548 2.616 404 2HG ARG 49 HG1 ARG 49 11.907 11.743 2.864 405 1HD ARG 49 HD2 ARG 49 13.899 10.711 4.874 406 2HD ARG 49 HD1 ARG 49 13.736 12.354 4.260 407 HE ARG 49 HE ARG 49 11.320 11.707 5.478 408 1HH1 ARG 49 HH11 ARG 49 14.678 12.191 6.381 409 2HH1 ARG 49 HH12 ARG 49 14.304 12.597 8.033 410 1HH2 ARG 49 HH21 ARG 49 10.831 12.269 7.623 411 2HH2 ARG 49 HH22 ARG 49 12.108 12.670 8.735 412 H GLY 50 HN GLY 50 11.361 10.846 0.628 413 1HA GLY 50 HA2 GLY 50 8.544 11.736 0.561 414 2HA GLY 50 HA1 GLY 50 9.900 12.843 0.415 415 H LEU 51 HN LEU 51 10.065 9.751 -1.157 416 HA LEU 51 HA LEU 51 10.093 11.165 -3.713 417 1HB LEU 51 HB2 LEU 51 10.874 8.331 -3.064 418 2HB LEU 51 HB1 LEU 51 11.045 9.097 -4.629 419 HG LEU 51 HG LEU 51 12.528 9.845 -2.107 420 1HD1 LEU 51 HD11 LEU 51 13.450 8.651 -4.716 421 2HD1 LEU 51 HD12 LEU 51 13.344 7.813 -3.168 422 3HD1 LEU 51 HD13 LEU 51 14.494 9.133 -3.379 423 1HD2 LEU 51 HD21 LEU 51 13.736 11.440 -3.542 424 2HD2 LEU 51 HD22 LEU 51 12.028 11.846 -3.380 425 3HD2 LEU 51 HD23 LEU 51 12.616 11.081 -4.856 426 H GLY 52 HN GLY 52 8.047 9.081 -1.894 427 1HA GLY 52 HA2 GLY 52 5.741 8.989 -2.862 428 2HA GLY 52 HA1 GLY 52 6.536 8.539 -4.363 429 H LEU 53 HN LEU 53 8.460 6.895 -2.703 430 HA LEU 53 HA LEU 53 7.475 4.473 -3.536 431 1HB LEU 53 HB2 LEU 53 9.837 5.094 -2.931 432 2HB LEU 53 HB1 LEU 53 9.400 4.881 -1.249 433 HG LEU 53 HG LEU 53 10.651 2.975 -2.421 434 1HD1 LEU 53 HD11 LEU 53 9.435 1.266 -1.197 435 2HD1 LEU 53 HD12 LEU 53 8.057 2.353 -1.026 436 3HD1 LEU 53 HD13 LEU 53 9.587 2.739 -0.239 437 1HD2 LEU 53 HD21 LEU 53 9.367 2.916 -4.473 438 2HD2 LEU 53 HD22 LEU 53 7.899 2.537 -3.569 439 3HD2 LEU 53 HD23 LEU 53 9.228 1.376 -3.624 440 H ALA 54 HN ALA 54 7.210 5.889 -0.286 441 HA ALA 54 HA ALA 54 6.205 3.692 1.075 442 1HB ALA 54 HB1 ALA 54 5.237 5.297 2.643 443 2HB ALA 54 HB2 ALA 54 5.498 6.592 1.473 444 3HB ALA 54 HB3 ALA 54 6.877 5.751 2.180 445 H SER 55 HN SER 55 4.404 6.212 -0.646 446 HA SER 55 HA SER 55 1.858 5.046 -0.228 447 1HB SER 55 HB2 SER 55 2.721 6.982 -2.392 448 2HB SER 55 HB1 SER 55 1.070 6.688 -1.845 449 HG SER 55 HG SER 55 2.711 7.322 0.225 450 H HIS 56 HN HIS 56 4.328 4.648 -2.694 451 HA HIS 56 HA HIS 56 2.675 3.272 -4.559 452 1HB HIS 56 HB2 HIS 56 5.652 3.513 -4.242 453 2HB HIS 56 HB1 HIS 56 4.963 2.379 -5.403 454 HD1 HIS 56 HD1 HIS 56 4.451 3.313 -7.666 455 HD2 HIS 56 HD2 HIS 56 4.694 6.274 -4.740 456 HE1 HIS 56 HE1 HIS 56 4.122 5.495 -8.865 457 HE2 HIS 56 HE2 HIS 56 4.422 7.267 -7.115 458 H LEU 57 HN LEU 57 4.459 2.300 -1.732 459 HA LEU 57 HA LEU 57 4.326 -0.493 -2.087 460 1HB LEU 57 HB2 LEU 57 4.214 1.152 0.445 461 2HB LEU 57 HB1 LEU 57 4.425 -0.587 0.399 462 HG LEU 57 HG LEU 57 6.361 1.371 -0.838 463 1HD1 LEU 57 HD11 LEU 57 7.776 0.920 1.103 464 2HD1 LEU 57 HD12 LEU 57 6.487 -0.046 1.824 465 3HD1 LEU 57 HD13 LEU 57 6.259 1.687 1.578 466 1HD2 LEU 57 HD21 LEU 57 7.859 -0.550 -0.881 467 2HD2 LEU 57 HD22 LEU 57 6.396 -0.872 -1.810 468 3HD2 LEU 57 HD23 LEU 57 6.592 -1.569 -0.201 469 H CYS 58 HN CYS 58 2.107 1.822 -0.592 470 HA CYS 58 HA CYS 58 0.038 0.026 0.034 471 1HB CYS 58 HB2 CYS 58 0.132 2.326 0.913 472 2HB CYS 58 HB1 CYS 58 -0.153 2.961 -0.708 473 HG CYS 58 HG CYS 58 -2.659 1.163 -0.512 474 H VAL 59 HN VAL 59 0.771 1.836 -2.911 475 HA VAL 59 HA VAL 59 -1.529 1.111 -4.375 476 HB VAL 59 HB VAL 59 1.234 1.883 -5.333 477 1HG1 VAL 59 HG11 VAL 59 0.214 2.337 -7.505 478 2HG1 VAL 59 HG12 VAL 59 -1.325 1.702 -6.925 479 3HG1 VAL 59 HG13 VAL 59 0.068 0.631 -7.083 480 1HG2 VAL 59 HG21 VAL 59 -1.321 3.463 -5.093 481 2HG2 VAL 59 HG22 VAL 59 0.203 4.059 -5.752 482 3HG2 VAL 59 HG23 VAL 59 0.094 3.606 -4.051 483 H ALA 60 HN ALA 60 1.553 -0.503 -3.855 484 HA ALA 60 HA ALA 60 1.339 -2.477 -5.831 485 1HB ALA 60 HB1 ALA 60 2.919 -3.765 -4.482 486 2HB ALA 60 HB2 ALA 60 2.640 -2.682 -3.117 487 3HB ALA 60 HB3 ALA 60 3.398 -2.070 -4.588 488 H ALA 61 HN ALA 61 -0.034 -2.296 -2.569 489 HA ALA 61 HA ALA 61 -1.137 -4.939 -2.701 490 1HB ALA 61 HB1 ALA 61 -2.369 -4.313 -0.702 491 2HB ALA 61 HB2 ALA 61 -1.906 -2.627 -0.928 492 3HB ALA 61 HB3 ALA 61 -0.677 -3.840 -0.565 493 H PHE 62 HN PHE 62 -2.245 -1.679 -3.417 494 HA PHE 62 HA PHE 62 -4.921 -2.198 -3.995 495 1HB PHE 62 HB2 PHE 62 -2.978 -0.177 -5.094 496 2HB PHE 62 HB1 PHE 62 -4.630 -0.268 -5.689 497 HD1 PHE 62 HD1 PHE 62 -6.090 -0.804 -3.165 498 HD2 PHE 62 HD2 PHE 62 -2.885 1.867 -4.002 499 HE1 PHE 62 HE1 PHE 62 -6.795 0.624 -1.280 500 HE2 PHE 62 HE2 PHE 62 -3.598 3.307 -2.139 501 HZ PHE 62 HZ PHE 62 -5.630 2.772 -0.878 502 H GLU 63 HN GLU 63 -2.138 -2.178 -6.207 503 HA GLU 63 HA GLU 63 -3.401 -2.949 -8.541 504 1HB GLU 63 HB2 GLU 63 -0.634 -3.596 -7.527 505 2HB GLU 63 HB1 GLU 63 -1.171 -3.964 -9.159 506 1HG GLU 63 HG2 GLU 63 -1.230 -1.189 -8.012 507 2HG GLU 63 HG1 GLU 63 0.167 -1.849 -8.862 508 H HIS 64 HN HIS 64 -2.341 -4.914 -5.838 509 HA HIS 64 HA HIS 64 -2.637 -7.417 -7.183 510 1HB HIS 64 HB2 HIS 64 -1.126 -7.055 -5.232 511 2HB HIS 64 HB1 HIS 64 -2.541 -6.857 -4.208 512 HD1 HIS 64 HD1 HIS 64 -1.672 -8.938 -2.810 513 HD2 HIS 64 HD2 HIS 64 -2.705 -9.769 -6.750 514 HE1 HIS 64 HE1 HIS 64 -1.835 -11.439 -2.956 515 HE2 HIS 64 HE2 HIS 64 -2.643 -11.902 -5.294 516 H ALA 65 HN ALA 65 -4.598 -5.626 -4.824 517 HA ALA 65 HA ALA 65 -6.654 -7.596 -4.721 518 1HB ALA 65 HB1 ALA 65 -6.785 -4.702 -3.909 519 2HB ALA 65 HB2 ALA 65 -6.210 -6.020 -2.890 520 3HB ALA 65 HB3 ALA 65 -7.892 -5.984 -3.421 521 H SER 66 HN SER 66 -6.416 -4.403 -6.292 522 HA SER 66 HA SER 66 -8.951 -4.262 -7.387 523 1HB SER 66 HB2 SER 66 -7.287 -2.427 -7.414 524 2HB SER 66 HB1 SER 66 -6.388 -3.282 -8.665 525 HG SER 66 HG SER 66 -7.639 -1.988 -9.837 526 H SER 67 HN SER 67 -6.071 -5.807 -8.787 527 HA SER 67 HA SER 67 -7.360 -6.490 -11.229 528 1HB SER 67 HB2 SER 67 -4.913 -6.255 -11.043 529 2HB SER 67 HB1 SER 67 -4.861 -7.661 -9.982 530 HG SER 67 HG SER 67 -5.745 -7.627 -12.691 531 H HIS 68 HN HIS 68 -7.207 -7.988 -8.090 532 HA HIS 68 HA HIS 68 -8.283 -10.490 -9.193 533 1HB HIS 68 HB2 HIS 68 -6.338 -10.383 -7.486 534 2HB HIS 68 HB1 HIS 68 -7.593 -10.051 -6.298 535 HD1 HIS 68 HD1 HIS 68 -9.084 -12.013 -5.564 536 HD2 HIS 68 HD2 HIS 68 -6.393 -12.999 -8.583 537 HE1 HIS 68 HE1 HIS 68 -9.120 -14.519 -5.713 538 HE2 HIS 68 HE2 HIS 68 -7.470 -15.103 -7.527 539 H SER 69 HN SER 69 -9.597 -7.700 -8.501 540 HA SER 69 HA SER 69 -11.719 -7.009 -8.063 541 1HB SER 69 HB2 SER 69 -12.432 -8.935 -9.403 542 2HB SER 69 HB1 SER 69 -12.334 -9.976 -7.985 543 HG SER 69 HG SER 69 -13.894 -8.331 -7.071 544 H ILE 70 HN ILE 70 -9.783 -7.490 -5.931 545 HA ILE 70 HA ILE 70 -11.458 -8.279 -3.659 546 HB ILE 70 HB ILE 70 -8.492 -7.659 -3.726 547 1HG1 ILE 70 HG12 ILE 70 -9.938 -10.314 -3.745 548 2HG1 ILE 70 HG11 ILE 70 -9.048 -9.619 -5.093 549 1HG2 ILE 70 HG21 ILE 70 -8.431 -8.801 -1.556 550 2HG2 ILE 70 HG22 ILE 70 -10.186 -8.970 -1.597 551 3HG2 ILE 70 HG23 ILE 70 -9.455 -7.366 -1.509 552 1HD1 ILE 70 HD11 ILE 70 -7.775 -11.358 -3.968 553 2HD1 ILE 70 HD12 ILE 70 -7.867 -10.454 -2.456 554 3HD1 ILE 70 HD13 ILE 70 -6.979 -9.790 -3.829 555 H SER 71 HN SER 71 -11.799 -6.889 -1.881 556 HA SER 71 HA SER 71 -11.552 -4.042 -2.499 557 1HB SER 71 HB2 SER 71 -12.999 -5.463 -0.245 558 2HB SER 71 HB1 SER 71 -13.062 -3.729 -0.570 559 HG SER 71 HG SER 71 -13.734 -5.567 -2.590 560 H ILE 72 HN ILE 72 -10.928 -2.623 -0.533 561 HA ILE 72 HA ILE 72 -8.786 -3.885 1.023 562 HB ILE 72 HB ILE 72 -8.445 -1.688 -1.026 563 1HG1 ILE 72 HG12 ILE 72 -7.160 -4.352 -0.497 564 2HG1 ILE 72 HG11 ILE 72 -7.988 -3.798 -1.948 565 1HG2 ILE 72 HG21 ILE 72 -7.431 -0.757 0.927 566 2HG2 ILE 72 HG22 ILE 72 -6.161 -1.306 -0.168 567 3HG2 ILE 72 HG23 ILE 72 -6.574 -2.262 1.258 568 1HD1 ILE 72 HD11 ILE 72 -5.574 -3.963 -2.261 569 2HD1 ILE 72 HD12 ILE 72 -5.328 -2.783 -0.973 570 3HD1 ILE 72 HD13 ILE 72 -6.152 -2.310 -2.459 571 H ILE 73 HN ILE 73 -8.147 -2.730 2.835 572 HA ILE 73 HA ILE 73 -9.454 -0.166 3.450 573 HB ILE 73 HB ILE 73 -9.252 -2.580 5.266 574 1HG1 ILE 73 HG12 ILE 73 -11.264 -2.432 3.863 575 2HG1 ILE 73 HG11 ILE 73 -11.658 -2.241 5.569 576 1HG2 ILE 73 HG21 ILE 73 -8.425 -0.659 6.505 577 2HG2 ILE 73 HG22 ILE 73 -10.011 -1.153 7.109 578 3HG2 ILE 73 HG23 ILE 73 -9.867 0.261 6.066 579 1HD1 ILE 73 HD11 ILE 73 -12.924 -0.692 4.196 580 2HD1 ILE 73 HD12 ILE 73 -11.426 -0.020 3.549 581 3HD1 ILE 73 HD13 ILE 73 -11.816 0.178 5.258 582 HA PRO 74 HA PRO 74 -5.066 0.294 4.108 583 1HB PRO 74 HB2 PRO 74 -5.089 3.020 3.626 584 2HB PRO 74 HB1 PRO 74 -4.971 1.764 2.392 585 1HG PRO 74 HG2 PRO 74 -7.136 3.579 2.871 586 2HG PRO 74 HG1 PRO 74 -7.024 2.318 1.636 587 1HD PRO 74 HD2 PRO 74 -8.411 2.281 4.244 588 2HD PRO 74 HD1 PRO 74 -8.707 1.304 2.789 589 H SER 75 HN SER 75 -4.849 -0.062 6.338 590 HA SER 75 HA SER 75 -5.233 1.966 8.301 591 1HB SER 75 HB2 SER 75 -3.217 -0.307 8.226 592 2HB SER 75 HB1 SER 75 -3.645 0.637 9.654 593 HG SER 75 HG SER 75 -5.140 -1.315 8.269 594 H CYS 76 HN CYS 76 -3.078 1.420 5.783 595 HA CYS 76 HA CYS 76 -0.936 3.130 6.361 596 1HB CYS 76 HB2 CYS 76 -2.049 2.425 3.642 597 2HB CYS 76 HB1 CYS 76 -0.450 3.067 3.993 598 HG CYS 76 HG CYS 76 -1.568 0.062 5.161 599 H SER 77 HN SER 77 -3.681 4.264 6.866 600 HA SER 77 HA SER 77 -4.762 5.804 4.911 601 1HB SER 77 HB2 SER 77 -4.697 6.696 7.781 602 2HB SER 77 HB1 SER 77 -5.991 6.899 6.598 603 HG SER 77 HG SER 77 -5.935 4.442 6.611 604 H TYR 78 HN TYR 78 -1.764 6.632 6.545 605 HA TYR 78 HA TYR 78 -1.663 9.357 5.926 606 1HB TYR 78 HB2 TYR 78 0.361 8.958 6.856 607 2HB TYR 78 HB1 TYR 78 0.277 7.246 6.467 608 HD1 TYR 78 HD1 TYR 78 1.147 10.562 5.057 609 HD2 TYR 78 HD2 TYR 78 1.639 6.348 4.740 610 HE1 TYR 78 HE1 TYR 78 2.929 10.907 3.401 611 HE2 TYR 78 HE2 TYR 78 3.421 6.677 3.077 612 HH TYR 78 HH TYR 78 4.209 8.347 1.507 613 H VAL 79 HN VAL 79 -0.912 6.526 3.916 614 HA VAL 79 HA VAL 79 -0.437 7.883 1.498 615 HB VAL 79 HB VAL 79 -1.555 5.102 1.911 616 1HG1 VAL 79 HG11 VAL 79 -1.938 5.925 -0.356 617 2HG1 VAL 79 HG12 VAL 79 -0.737 4.633 -0.340 618 3HG1 VAL 79 HG13 VAL 79 -0.224 6.313 -0.510 619 1HG2 VAL 79 HG21 VAL 79 0.587 5.392 3.025 620 2HG2 VAL 79 HG22 VAL 79 1.291 6.016 1.533 621 3HG2 VAL 79 HG23 VAL 79 0.750 4.341 1.619 622 H SER 80 HN SER 80 -3.394 6.418 2.840 623 HA SER 80 HA SER 80 -4.916 6.808 0.482 624 1HB SER 80 HB2 SER 80 -6.877 6.273 1.849 625 2HB SER 80 HB1 SER 80 -5.554 5.164 2.204 626 HG SER 80 HG SER 80 -6.650 7.205 3.771 627 H ASP 81 HN ASP 81 -4.254 8.789 3.233 628 HA ASP 81 HA ASP 81 -6.348 10.647 2.999 629 1HB ASP 81 HB2 ASP 81 -5.153 10.617 5.040 630 2HB ASP 81 HB1 ASP 81 -3.595 10.750 4.240 631 H THR 82 HN THR 82 -2.956 10.922 1.927 632 HA THR 82 HA THR 82 -3.654 13.269 0.323 633 HB THR 82 HB THR 82 -1.655 13.541 1.606 634 HG1 THR 82 HG1 THR 82 -0.841 14.538 -0.065 635 1HG2 THR 82 HG21 THR 82 0.323 12.106 1.323 636 2HG2 THR 82 HG22 THR 82 -0.614 11.038 0.275 637 3HG2 THR 82 HG23 THR 82 -1.055 11.217 1.974 638 H PHE 83 HN PHE 83 -2.400 9.983 -0.207 639 HA PHE 83 HA PHE 83 -1.755 10.501 -2.942 640 1HB PHE 83 HB2 PHE 83 -0.787 8.747 -1.251 641 2HB PHE 83 HB1 PHE 83 -2.070 7.728 -1.881 642 HD1 PHE 83 HD1 PHE 83 -1.288 6.209 -3.420 643 HD2 PHE 83 HD2 PHE 83 0.324 10.148 -3.400 644 HE1 PHE 83 HE1 PHE 83 0.095 5.655 -5.379 645 HE2 PHE 83 HE2 PHE 83 1.715 9.595 -5.349 646 HZ PHE 83 HZ PHE 83 1.600 7.345 -6.343 647 H LEU 84 HN LEU 84 -4.539 9.164 -1.296 648 HA LEU 84 HA LEU 84 -5.626 8.030 -3.692 649 1HB LEU 84 HB2 LEU 84 -6.662 8.409 -0.929 650 2HB LEU 84 HB1 LEU 84 -7.765 7.952 -2.218 651 HG LEU 84 HG LEU 84 -5.286 6.431 -1.382 652 1HD1 LEU 84 HD11 LEU 84 -6.850 4.708 -0.670 653 2HD1 LEU 84 HD12 LEU 84 -8.204 5.759 -1.086 654 3HD1 LEU 84 HD13 LEU 84 -7.105 6.210 0.217 655 1HD2 LEU 84 HD21 LEU 84 -6.055 4.735 -2.967 656 2HD2 LEU 84 HD22 LEU 84 -5.673 6.259 -3.770 657 3HD2 LEU 84 HD23 LEU 84 -7.355 5.811 -3.480 658 HA PRO 85 HA PRO 85 -8.243 12.123 -3.909 659 1HB PRO 85 HB2 PRO 85 -6.809 14.254 -2.886 660 2HB PRO 85 HB1 PRO 85 -8.171 13.488 -2.071 661 1HG PRO 85 HG2 PRO 85 -5.245 13.127 -1.674 662 2HG PRO 85 HG1 PRO 85 -6.548 13.178 -0.472 663 1HD PRO 85 HD2 PRO 85 -5.410 10.870 -1.254 664 2HD PRO 85 HD1 PRO 85 -7.130 10.974 -0.826 665 H ARG 86 HN ARG 86 -4.783 11.829 -3.804 666 HA ARG 86 HA ARG 86 -4.193 13.551 -5.999 667 1HB ARG 86 HB2 ARG 86 -2.541 13.084 -4.299 668 2HB ARG 86 HB1 ARG 86 -2.644 11.361 -4.606 669 1HG ARG 86 HG2 ARG 86 -1.562 11.618 -6.724 670 2HG ARG 86 HG1 ARG 86 -1.610 13.379 -6.584 671 1HD ARG 86 HD2 ARG 86 -0.111 13.349 -4.733 672 2HD ARG 86 HD1 ARG 86 -0.218 11.598 -4.596 673 HE ARG 86 HE ARG 86 0.781 11.969 -7.093 674 1HH1 ARG 86 HH11 ARG 86 1.693 13.186 -3.931 675 2HH1 ARG 86 HH12 ARG 86 3.396 13.214 -4.290 676 1HH2 ARG 86 HH21 ARG 86 3.036 11.971 -7.554 677 2HH2 ARG 86 HH22 ARG 86 4.155 12.513 -6.339 678 H ASN 87 HN ASN 87 -4.232 10.017 -5.629 679 HA ASN 87 HA ASN 87 -4.927 9.770 -8.487 680 1HB ASN 87 HB2 ASN 87 -3.107 8.106 -6.768 681 2HB ASN 87 HB1 ASN 87 -3.909 7.389 -8.157 682 1HD2 ASN 87 HD21 ASN 87 -2.999 10.725 -8.314 683 2HD2 ASN 87 HD22 ASN 87 -1.644 10.511 -9.370 684 HA PRO 88 HA PRO 88 -8.442 8.245 -6.002 685 1HB PRO 88 HB2 PRO 88 -10.102 9.118 -8.220 686 2HB PRO 88 HB1 PRO 88 -10.033 9.750 -6.574 687 1HG PRO 88 HG2 PRO 88 -9.169 11.154 -8.732 688 2HG PRO 88 HG1 PRO 88 -8.466 11.340 -7.113 689 1HD PRO 88 HD2 PRO 88 -7.454 9.745 -9.446 690 2HD PRO 88 HD1 PRO 88 -6.560 10.808 -8.337 691 H SER 89 HN SER 89 -6.908 6.421 -7.580 692 HA SER 89 HA SER 89 -8.817 5.205 -9.435 693 1HB SER 89 HB2 SER 89 -5.921 4.484 -8.941 694 2HB SER 89 HB1 SER 89 -6.928 3.958 -10.290 695 HG SER 89 HG SER 89 -5.382 5.952 -10.390 696 H TRP 90 HN TRP 90 -8.240 4.964 -6.224 697 HA TRP 90 HA TRP 90 -8.601 2.042 -6.216 698 1HB TRP 90 HB2 TRP 90 -7.143 3.474 -4.020 699 2HB TRP 90 HB1 TRP 90 -7.073 1.774 -4.470 700 HD1 TRP 90 HD1 TRP 90 -5.167 4.888 -4.796 701 HE1 TRP 90 HE1 TRP 90 -3.309 4.662 -6.547 702 HE3 TRP 90 HE3 TRP 90 -6.702 0.565 -7.045 703 HZ2 TRP 90 HZ2 TRP 90 -2.582 2.886 -8.623 704 HZ3 TRP 90 HZ3 TRP 90 -5.367 -0.330 -8.909 705 HH2 TRP 90 HH2 TRP 90 -3.352 0.812 -9.678 706 H LYS 91 HN LYS 91 -10.111 4.797 -5.736 707 HA LYS 91 HA LYS 91 -11.379 4.546 -3.253 708 1HB LYS 91 HB2 LYS 91 -12.256 5.804 -5.846 709 2HB LYS 91 HB1 LYS 91 -13.264 5.834 -4.405 710 1HG LYS 91 HG2 LYS 91 -11.461 6.976 -3.187 711 2HG LYS 91 HG1 LYS 91 -10.491 6.983 -4.660 712 1HD LYS 91 HD2 LYS 91 -11.921 8.493 -5.731 713 2HD LYS 91 HD1 LYS 91 -13.237 8.191 -4.596 714 1HE LYS 91 HE2 LYS 91 -12.251 10.362 -4.162 715 2HE LYS 91 HE1 LYS 91 -11.930 9.273 -2.815 716 1HZ LYS 91 HZ1 LYS 91 -10.048 10.191 -4.912 717 2HZ LYS 91 HZ2 LYS 91 -9.708 8.872 -3.906 718 3HZ LYS 91 HZ3 LYS 91 -9.936 10.406 -3.239 719 HA PRO 92 HA PRO 92 -14.542 1.615 -5.569 720 1HB PRO 92 HB2 PRO 92 -12.784 0.482 -7.647 721 2HB PRO 92 HB1 PRO 92 -14.483 0.960 -7.748 722 1HG PRO 92 HG2 PRO 92 -12.603 2.426 -8.908 723 2HG PRO 92 HG1 PRO 92 -13.966 3.199 -8.078 724 1HD PRO 92 HD2 PRO 92 -11.157 2.773 -7.107 725 2HD PRO 92 HD1 PRO 92 -12.171 4.230 -7.005 726 H LEU 93 HN LEU 93 -11.561 1.284 -4.282 727 HA LEU 93 HA LEU 93 -11.867 -1.622 -3.909 728 1HB LEU 93 HB2 LEU 93 -9.435 0.103 -3.434 729 2HB LEU 93 HB1 LEU 93 -9.519 -1.639 -3.230 730 HG LEU 93 HG LEU 93 -9.915 -0.201 -5.843 731 1HD1 LEU 93 HD11 LEU 93 -7.691 -1.099 -6.417 732 2HD1 LEU 93 HD12 LEU 93 -7.515 -1.676 -4.760 733 3HD1 LEU 93 HD13 LEU 93 -7.628 0.053 -5.082 734 1HD2 LEU 93 HD21 LEU 93 -11.083 -2.328 -5.738 735 2HD2 LEU 93 HD22 LEU 93 -9.618 -3.131 -5.169 736 3HD2 LEU 93 HD23 LEU 93 -9.681 -2.460 -6.799 737 H ILE 94 HN ILE 94 -10.920 1.345 -2.226 738 HA ILE 94 HA ILE 94 -11.669 0.107 0.319 739 HB ILE 94 HB ILE 94 -10.436 1.826 1.419 740 1HG1 ILE 94 HG12 ILE 94 -9.714 3.220 -1.127 741 2HG1 ILE 94 HG11 ILE 94 -11.254 3.599 -0.353 742 1HG2 ILE 94 HG21 ILE 94 -8.928 1.017 -1.060 743 2HG2 ILE 94 HG22 ILE 94 -9.086 0.064 0.417 744 3HG2 ILE 94 HG23 ILE 94 -8.211 1.596 0.443 745 1HD1 ILE 94 HD11 ILE 94 -9.509 5.144 0.331 746 2HD1 ILE 94 HD12 ILE 94 -8.543 3.792 0.932 747 3HD1 ILE 94 HD13 ILE 94 -10.084 4.184 1.694 748 H HIS 95 HN HIS 95 -12.173 2.644 1.617 749 HA HIS 95 HA HIS 95 -14.863 3.149 0.841 750 1HB HIS 95 HB2 HIS 95 -12.984 4.252 2.877 751 2HB HIS 95 HB1 HIS 95 -14.422 5.190 2.470 752 HD1 HIS 95 HD1 HIS 95 -16.708 4.233 3.182 753 HD2 HIS 95 HD2 HIS 95 -13.463 1.872 4.283 754 HE1 HIS 95 HE1 HIS 95 -17.609 2.566 4.841 755 HE2 HIS 95 HE2 HIS 95 -15.668 1.034 5.347 756 H SER 96 HN SER 96 -12.187 5.568 1.022 757 HA SER 96 HA SER 96 -12.319 6.161 -1.753 758 1HB SER 96 HB2 SER 96 -13.120 8.617 -1.259 759 2HB SER 96 HB1 SER 96 -14.301 7.334 -1.531 760 HG SER 96 HG SER 96 -15.035 8.166 0.287 761 H GLU 97 HN GLU 97 -11.513 7.513 1.438 762 HA GLU 97 HA GLU 97 -8.881 8.232 0.553 763 1HB GLU 97 HB2 GLU 97 -10.400 10.051 -0.274 764 2HB GLU 97 HB1 GLU 97 -10.819 10.394 1.400 765 1HG GLU 97 HG2 GLU 97 -8.546 11.062 1.856 766 2HG GLU 97 HG1 GLU 97 -8.058 10.591 0.225 767 H VAL 98 HN VAL 98 -8.931 10.276 2.833 768 HA VAL 98 HA VAL 98 -8.201 8.432 4.900 769 HB VAL 98 HB VAL 98 -7.059 10.594 4.413 770 1HG1 VAL 98 HG11 VAL 98 -8.976 12.018 4.076 771 2HG1 VAL 98 HG12 VAL 98 -7.969 12.660 5.374 772 3HG1 VAL 98 HG13 VAL 98 -9.465 11.807 5.757 773 1HG2 VAL 98 HG21 VAL 98 -7.998 10.201 7.249 774 2HG2 VAL 98 HG22 VAL 98 -6.598 11.155 6.758 775 3HG2 VAL 98 HG23 VAL 98 -6.620 9.414 6.480 776 H PHE 99 HN PHE 99 -11.050 8.418 4.129 777 HA PHE 99 HA PHE 99 -13.052 8.059 5.142 778 1HB PHE 99 HB2 PHE 99 -11.525 8.524 7.715 779 2HB PHE 99 HB1 PHE 99 -13.179 7.930 7.615 780 HD1 PHE 99 HD1 PHE 99 -13.601 5.728 6.454 781 HD2 PHE 99 HD2 PHE 99 -9.704 7.065 7.525 782 HE1 PHE 99 HE1 PHE 99 -12.767 3.421 6.287 783 HE2 PHE 99 HE2 PHE 99 -8.863 4.760 7.354 784 HZ PHE 99 HZ PHE 99 -10.385 2.942 6.683 785 H LYS 100 HN LYS 100 -11.808 10.624 4.436 786 HA LYS 100 HA LYS 100 -12.803 12.780 5.914 787 1HB LYS 100 HB2 LYS 100 -12.617 13.972 3.695 788 2HB LYS 100 HB1 LYS 100 -11.162 13.113 4.191 789 1HG LYS 100 HG2 LYS 100 -11.229 11.755 2.422 790 2HG LYS 100 HG1 LYS 100 -12.958 11.456 2.610 791 1HD LYS 100 HD2 LYS 100 -13.311 13.758 1.607 792 2HD LYS 100 HD1 LYS 100 -11.607 13.709 1.198 793 1HE LYS 100 HE2 LYS 100 -11.954 11.674 -0.097 794 2HE LYS 100 HE1 LYS 100 -13.671 11.727 0.297 795 1HZ LYS 100 HZ1 LYS 100 -12.155 13.719 -1.305 796 2HZ LYS 100 HZ2 LYS 100 -13.772 13.908 -0.825 797 3HZ LYS 100 HZ3 LYS 100 -13.340 12.643 -1.871 798 H SER 101 HN SER 101 -14.139 10.920 3.281 799 HA SER 101 HA SER 101 -16.813 12.011 3.758 800 1HB SER 101 HB2 SER 101 -15.911 13.214 1.860 801 2HB SER 101 HB1 SER 101 -15.326 11.716 1.132 802 HG SER 101 HG SER 101 -17.732 11.158 1.229 803 H SER 102 HN SER 102 -15.032 9.547 4.159 804 HA SER 102 HA SER 102 -16.297 7.481 2.584 805 1HB SER 102 HB2 SER 102 -14.338 7.209 4.871 806 2HB SER 102 HB1 SER 102 -14.698 6.012 3.630 807 HG SER 102 HG SER 102 -13.930 7.672 2.094 808 H ILE 103 HN ILE 103 -17.833 9.071 4.654 809 HA ILE 103 HA ILE 103 -18.520 7.011 6.598 810 HB ILE 103 HB ILE 103 -20.008 8.766 7.583 811 1HG1 ILE 103 HG12 ILE 103 -18.614 10.576 5.598 812 2HG1 ILE 103 HG11 ILE 103 -20.310 10.108 5.524 813 1HG2 ILE 103 HG21 ILE 103 -18.166 10.058 8.562 814 2HG2 ILE 103 HG22 ILE 103 -17.090 9.474 7.293 815 3HG2 ILE 103 HG23 ILE 103 -17.779 8.343 8.457 816 1HD1 ILE 103 HD11 ILE 103 -20.695 11.222 7.667 817 2HD1 ILE 103 HD12 ILE 103 -20.071 12.327 6.443 818 3HD1 ILE 103 HD13 ILE 103 -19.003 11.713 7.704 Start of MODEL 9 1 1H MET 1 HT1 MET 1 16.169 15.243 -10.866 2 2H MET 1 HT2 MET 1 16.292 15.491 -9.193 3 3H MET 1 HT3 MET 1 15.190 16.403 -10.104 4 HA MET 1 HA MET 1 14.041 14.706 -8.880 5 1HB MET 1 HB2 MET 1 14.202 14.257 -11.862 6 2HB MET 1 HB1 MET 1 13.010 13.470 -10.836 7 1HG MET 1 HG2 MET 1 13.329 16.448 -11.152 8 2HG MET 1 HG1 MET 1 12.127 15.456 -11.977 9 1HE MET 1 HE1 MET 1 11.214 13.390 -9.794 10 2HE MET 1 HE2 MET 1 10.087 14.295 -10.805 11 3HE MET 1 HE3 MET 1 9.857 14.241 -9.057 12 H ALA 2 HN ALA 2 14.493 13.015 -7.673 13 HA ALA 2 HA ALA 2 16.358 10.988 -8.715 14 1HB ALA 2 HB1 ALA 2 16.795 10.414 -6.382 15 2HB ALA 2 HB2 ALA 2 15.615 11.617 -5.857 16 3HB ALA 2 HB3 ALA 2 17.088 12.127 -6.682 17 H THR 3 HN THR 3 13.286 11.267 -8.961 18 HA THR 3 HA THR 3 12.249 9.046 -7.477 19 HB THR 3 HB THR 3 10.230 9.393 -9.006 20 HG1 THR 3 HG1 THR 3 11.895 10.760 -10.425 21 1HG2 THR 3 HG21 THR 3 9.555 11.456 -7.842 22 2HG2 THR 3 HG22 THR 3 11.224 11.698 -7.324 23 3HG2 THR 3 HG23 THR 3 10.317 10.300 -6.750 24 H GLU 4 HN GLU 4 13.002 7.089 -7.965 25 HA GLU 4 HA GLU 4 13.198 6.295 -10.785 26 1HB GLU 4 HB2 GLU 4 14.563 5.398 -8.282 27 2HB GLU 4 HB1 GLU 4 14.353 4.237 -9.585 28 1HG GLU 4 HG2 GLU 4 15.710 6.906 -9.863 29 2HG GLU 4 HG1 GLU 4 16.537 5.367 -9.630 30 HA PRO 5 HA PRO 5 9.886 3.340 -10.051 31 1HB PRO 5 HB2 PRO 5 10.459 1.518 -11.968 32 2HB PRO 5 HB1 PRO 5 9.731 3.084 -12.340 33 1HG PRO 5 HG2 PRO 5 12.564 2.192 -12.626 34 2HG PRO 5 HG1 PRO 5 11.603 3.240 -13.683 35 1HD PRO 5 HD2 PRO 5 13.454 4.153 -11.866 36 2HD PRO 5 HD1 PRO 5 12.085 5.109 -12.465 37 HA PRO 6 HA PRO 6 12.574 0.724 -7.479 38 1HB PRO 6 HB2 PRO 6 10.182 0.451 -5.816 39 2HB PRO 6 HB1 PRO 6 11.741 1.173 -5.410 40 1HG PRO 6 HG2 PRO 6 9.525 2.675 -5.697 41 2HG PRO 6 HG1 PRO 6 11.126 3.262 -6.180 42 1HD PRO 6 HD2 PRO 6 8.962 2.072 -7.894 43 2HD PRO 6 HD1 PRO 6 9.925 3.545 -8.165 44 H LYS 7 HN LYS 7 11.940 -1.469 -6.302 45 HA LYS 7 HA LYS 7 10.203 -3.027 -8.073 46 1HB LYS 7 HB2 LYS 7 12.850 -3.141 -8.453 47 2HB LYS 7 HB1 LYS 7 12.729 -4.291 -7.128 48 1HG LYS 7 HG2 LYS 7 12.642 -5.470 -9.217 49 2HG LYS 7 HG1 LYS 7 11.060 -5.563 -8.439 50 1HD LYS 7 HD2 LYS 7 10.934 -5.084 -10.875 51 2HD LYS 7 HD1 LYS 7 10.192 -3.832 -9.873 52 1HE LYS 7 HE2 LYS 7 12.280 -2.525 -10.037 53 2HE LYS 7 HE1 LYS 7 12.937 -3.746 -11.122 54 1HZ LYS 7 HZ1 LYS 7 11.992 -1.768 -12.246 55 2HZ LYS 7 HZ2 LYS 7 10.454 -2.216 -11.686 56 3HZ LYS 7 HZ3 LYS 7 11.302 -3.232 -12.748 57 H ILE 8 HN ILE 8 8.674 -3.079 -6.441 58 HA ILE 8 HA ILE 8 9.513 -3.961 -3.811 59 HB ILE 8 HB ILE 8 6.824 -3.036 -4.831 60 1HG1 ILE 8 HG12 ILE 8 7.197 -1.297 -3.021 61 2HG1 ILE 8 HG11 ILE 8 8.846 -1.895 -2.894 62 1HG2 ILE 8 HG21 ILE 8 6.027 -3.273 -2.543 63 2HG2 ILE 8 HG22 ILE 8 7.580 -3.971 -2.077 64 3HG2 ILE 8 HG23 ILE 8 6.529 -4.829 -3.205 65 1HD1 ILE 8 HD11 ILE 8 7.590 -0.651 -5.318 66 2HD1 ILE 8 HD12 ILE 8 9.237 -1.273 -5.216 67 3HD1 ILE 8 HD13 ILE 8 8.749 0.102 -4.223 68 H VAL 9 HN VAL 9 9.402 -5.928 -3.105 69 HA VAL 9 HA VAL 9 8.358 -8.002 -4.871 70 HB VAL 9 HB VAL 9 9.802 -9.488 -3.772 71 1HG1 VAL 9 HG11 VAL 9 10.986 -7.829 -5.144 72 2HG1 VAL 9 HG12 VAL 9 11.983 -8.442 -3.823 73 3HG1 VAL 9 HG13 VAL 9 11.240 -6.846 -3.698 74 1HG2 VAL 9 HG21 VAL 9 10.099 -7.480 -1.544 75 2HG2 VAL 9 HG22 VAL 9 10.938 -9.027 -1.650 76 3HG2 VAL 9 HG23 VAL 9 9.184 -8.987 -1.470 77 H TRP 10 HN TRP 10 7.288 -9.874 -3.773 78 HA TRP 10 HA TRP 10 5.574 -8.907 -1.588 79 1HB TRP 10 HB2 TRP 10 4.283 -9.341 -3.585 80 2HB TRP 10 HB1 TRP 10 5.005 -10.937 -3.757 81 HD1 TRP 10 HD1 TRP 10 3.845 -9.916 -0.276 82 HE1 TRP 10 HE1 TRP 10 1.781 -11.314 0.355 83 HE3 TRP 10 HE3 TRP 10 2.903 -12.082 -4.817 84 HZ2 TRP 10 HZ2 TRP 10 -0.026 -13.075 -0.905 85 HZ3 TRP 10 HZ3 TRP 10 0.981 -13.601 -5.018 86 HH2 TRP 10 HH2 TRP 10 -0.453 -14.086 -3.103 87 H ASN 11 HN ASN 11 6.305 -9.639 0.266 88 HA ASN 11 HA ASN 11 7.588 -12.239 0.468 89 1HB ASN 11 HB2 ASN 11 8.349 -10.132 1.724 90 2HB ASN 11 HB1 ASN 11 6.930 -10.361 2.742 91 1HD2 ASN 11 HD21 ASN 11 6.885 -12.030 4.201 92 2HD2 ASN 11 HD22 ASN 11 8.278 -12.982 4.585 93 H GLU 12 HN GLU 12 5.984 -13.668 0.049 94 HA GLU 12 HA GLU 12 3.291 -13.311 0.681 95 1HB GLU 12 HB2 GLU 12 4.736 -15.869 0.012 96 2HB GLU 12 HB1 GLU 12 3.003 -15.591 -0.122 97 1HG GLU 12 HG2 GLU 12 3.353 -13.938 -1.838 98 2HG GLU 12 HG1 GLU 12 5.101 -14.060 -1.645 99 H GLY 13 HN GLY 13 5.856 -14.828 2.533 100 1HA GLY 13 HA2 GLY 13 4.184 -16.432 4.178 101 2HA GLY 13 HA1 GLY 13 5.829 -15.933 4.550 102 H LYS 14 HN LYS 14 4.877 -13.070 4.146 103 HA LYS 14 HA LYS 14 3.686 -12.760 6.826 104 1HB LYS 14 HB2 LYS 14 5.724 -11.113 5.351 105 2HB LYS 14 HB1 LYS 14 4.761 -10.409 6.637 106 1HG LYS 14 HG2 LYS 14 6.979 -11.135 7.392 107 2HG LYS 14 HG1 LYS 14 5.674 -11.967 8.238 108 1HD LYS 14 HD2 LYS 14 6.017 -13.956 6.981 109 2HD LYS 14 HD1 LYS 14 7.093 -13.136 5.852 110 1HE LYS 14 HE2 LYS 14 8.760 -12.874 7.546 111 2HE LYS 14 HE1 LYS 14 7.679 -13.518 8.783 112 1HZ LYS 14 HZ1 LYS 14 7.720 -15.649 7.696 113 2HZ LYS 14 HZ2 LYS 14 9.319 -15.151 7.986 114 3HZ LYS 14 HZ3 LYS 14 8.662 -15.034 6.425 115 H ARG 15 HN ARG 15 2.966 -12.622 3.660 116 HA ARG 15 HA ARG 15 1.458 -11.557 2.321 117 1HB ARG 15 HB2 ARG 15 0.218 -10.732 4.954 118 2HB ARG 15 HB1 ARG 15 -0.570 -10.678 3.385 119 1HG ARG 15 HG2 ARG 15 -0.606 -13.048 3.234 120 2HG ARG 15 HG1 ARG 15 0.437 -13.207 4.650 121 1HD ARG 15 HD2 ARG 15 -2.349 -12.053 4.627 122 2HD ARG 15 HD1 ARG 15 -1.902 -13.656 5.214 123 HE ARG 15 HE ARG 15 -0.364 -11.716 6.544 124 1HH1 ARG 15 HH11 ARG 15 -3.680 -12.817 6.376 125 2HH1 ARG 15 HH12 ARG 15 -4.033 -12.410 8.029 126 1HH2 ARG 15 HH21 ARG 15 -0.802 -11.160 8.685 127 2HH2 ARG 15 HH22 ARG 15 -2.384 -11.457 9.353 128 H ARG 16 HN ARG 16 3.819 -10.125 2.792 129 HA ARG 16 HA ARG 16 2.781 -7.379 2.854 130 1HB ARG 16 HB2 ARG 16 4.409 -6.619 4.327 131 2HB ARG 16 HB1 ARG 16 3.951 -8.171 5.000 132 1HG ARG 16 HG2 ARG 16 5.947 -9.192 4.081 133 2HG ARG 16 HG1 ARG 16 6.399 -7.657 3.330 134 1HD ARG 16 HD2 ARG 16 6.362 -6.639 5.624 135 2HD ARG 16 HD1 ARG 16 6.174 -8.265 6.274 136 HE ARG 16 HE ARG 16 8.429 -8.177 4.566 137 1HH1 ARG 16 HH11 ARG 16 7.333 -7.087 7.725 138 2HH1 ARG 16 HH12 ARG 16 8.939 -6.986 8.378 139 1HH2 ARG 16 HH21 ARG 16 10.515 -8.057 5.413 140 2HH2 ARG 16 HH22 ARG 16 10.770 -7.528 7.052 141 H PHE 17 HN PHE 17 4.129 -5.811 1.794 142 HA PHE 17 HA PHE 17 5.737 -6.987 -0.372 143 1HB PHE 17 HB2 PHE 17 4.376 -4.285 -0.262 144 2HB PHE 17 HB1 PHE 17 5.313 -4.905 -1.611 145 HD1 PHE 17 HD1 PHE 17 2.142 -4.192 -0.723 146 HD2 PHE 17 HD2 PHE 17 4.416 -7.489 -2.163 147 HE1 PHE 17 HE1 PHE 17 0.096 -5.184 -1.662 148 HE2 PHE 17 HE2 PHE 17 2.374 -8.482 -3.112 149 HZ PHE 17 HZ PHE 17 0.210 -7.264 -2.930 150 H GLU 18 HN GLU 18 7.817 -6.250 -0.678 151 HA GLU 18 HA GLU 18 8.743 -4.066 1.054 152 1HB GLU 18 HB2 GLU 18 10.905 -5.863 0.712 153 2HB GLU 18 HB1 GLU 18 10.114 -5.391 2.212 154 1HG GLU 18 HG2 GLU 18 8.449 -7.209 1.793 155 2HG GLU 18 HG1 GLU 18 9.453 -7.719 0.436 156 H THR 19 HN THR 19 9.985 -2.607 0.085 157 HA THR 19 HA THR 19 10.241 -2.588 -2.696 158 HB THR 19 HB THR 19 10.288 -0.538 -1.255 159 HG1 THR 19 HG1 THR 19 11.979 0.498 -2.518 160 1HG2 THR 19 HG21 THR 19 13.094 -1.445 -0.629 161 2HG2 THR 19 HG22 THR 19 11.757 -1.323 0.510 162 3HG2 THR 19 HG23 THR 19 12.419 0.135 -0.231 163 H GLU 20 HN GLU 20 12.525 -2.206 -3.722 164 HA GLU 20 HA GLU 20 13.903 -4.657 -3.699 165 1HB GLU 20 HB2 GLU 20 15.600 -3.399 -5.073 166 2HB GLU 20 HB1 GLU 20 13.950 -3.330 -5.668 167 1HG GLU 20 HG2 GLU 20 13.664 -1.119 -4.748 168 2HG GLU 20 HG1 GLU 20 15.280 -1.180 -4.044 169 H ASP 21 HN ASP 21 13.959 -2.193 -1.544 170 HA ASP 21 HA ASP 21 16.737 -2.590 -0.715 171 1HB ASP 21 HB2 ASP 21 16.387 -0.315 -0.973 172 2HB ASP 21 HB1 ASP 21 14.719 -0.403 -0.439 173 H HIS 22 HN HIS 22 13.528 -3.356 0.031 174 HA HIS 22 HA HIS 22 12.584 -4.776 1.500 175 1HB HIS 22 HB2 HIS 22 15.445 -5.399 2.228 176 2HB HIS 22 HB1 HIS 22 14.058 -6.280 2.854 177 HD1 HIS 22 HD1 HIS 22 12.854 -7.916 1.249 178 HD2 HIS 22 HD2 HIS 22 16.082 -5.904 -0.453 179 HE1 HIS 22 HE1 HIS 22 13.354 -9.118 -0.904 180 HE2 HIS 22 HE2 HIS 22 15.443 -8.019 -1.798 181 H GLU 23 HN GLU 23 14.586 -2.270 2.648 182 HA GLU 23 HA GLU 23 13.882 -2.552 5.420 183 1HB GLU 23 HB2 GLU 23 15.052 -0.173 3.964 184 2HB GLU 23 HB1 GLU 23 15.026 -0.419 5.706 185 1HG GLU 23 HG2 GLU 23 16.463 -2.202 3.741 186 2HG GLU 23 HG1 GLU 23 17.215 -0.892 4.664 187 H ALA 24 HN ALA 24 12.672 -0.947 2.611 188 HA ALA 24 HA ALA 24 10.499 0.255 4.164 189 1HB ALA 24 HB1 ALA 24 11.187 0.513 1.238 190 2HB ALA 24 HB2 ALA 24 11.546 1.693 2.498 191 3HB ALA 24 HB3 ALA 24 9.870 1.352 2.061 192 H PHE 25 HN PHE 25 8.529 -0.663 4.213 193 HA PHE 25 HA PHE 25 7.769 -2.633 2.247 194 1HB PHE 25 HB2 PHE 25 7.346 -4.385 3.987 195 2HB PHE 25 HB1 PHE 25 9.049 -4.088 3.650 196 HD1 PHE 25 HD1 PHE 25 6.347 -3.741 6.102 197 HD2 PHE 25 HD2 PHE 25 10.486 -3.104 5.330 198 HE1 PHE 25 HE1 PHE 25 6.736 -3.374 8.502 199 HE2 PHE 25 HE2 PHE 25 10.881 -2.741 7.731 200 HZ PHE 25 HZ PHE 25 9.012 -2.887 9.319 201 H ILE 26 HN ILE 26 5.635 -3.493 2.610 202 HA ILE 26 HA ILE 26 3.975 -1.955 4.465 203 HB ILE 26 HB ILE 26 3.914 -1.509 1.719 204 1HG1 ILE 26 HG12 ILE 26 1.924 -0.993 3.927 205 2HG1 ILE 26 HG11 ILE 26 3.199 0.068 3.338 206 1HG2 ILE 26 HG21 ILE 26 2.767 -3.652 1.341 207 2HG2 ILE 26 HG22 ILE 26 1.739 -2.277 0.941 208 3HG2 ILE 26 HG23 ILE 26 1.484 -3.157 2.447 209 1HD1 ILE 26 HD11 ILE 26 1.994 0.283 1.208 210 2HD1 ILE 26 HD12 ILE 26 1.050 0.846 2.587 211 3HD1 ILE 26 HD13 ILE 26 0.701 -0.724 1.862 212 H GLU 27 HN GLU 27 2.451 -3.130 5.484 213 HA GLU 27 HA GLU 27 2.475 -6.024 4.938 214 1HB GLU 27 HB2 GLU 27 3.199 -5.276 7.188 215 2HB GLU 27 HB1 GLU 27 1.642 -4.496 7.423 216 1HG GLU 27 HG2 GLU 27 0.584 -6.753 7.167 217 2HG GLU 27 HG1 GLU 27 2.209 -7.438 7.191 218 H TYR 28 HN TYR 28 0.376 -7.171 5.034 219 HA TYR 28 HA TYR 28 -1.983 -5.607 5.438 220 1HB TYR 28 HB2 TYR 28 -3.024 -5.869 3.288 221 2HB TYR 28 HB1 TYR 28 -1.474 -5.084 3.062 222 HD1 TYR 28 HD1 TYR 28 -3.277 -8.294 2.678 223 HD2 TYR 28 HD2 TYR 28 0.179 -6.033 1.649 224 HE1 TYR 28 HE1 TYR 28 -2.663 -9.994 1.012 225 HE2 TYR 28 HE2 TYR 28 0.796 -7.726 -0.023 226 HH TYR 28 HH TYR 28 -1.332 -10.217 -0.997 227 H LYS 29 HN LYS 29 -3.913 -6.848 5.533 228 HA LYS 29 HA LYS 29 -3.581 -9.758 5.450 229 1HB LYS 29 HB2 LYS 29 -4.958 -9.965 7.525 230 2HB LYS 29 HB1 LYS 29 -3.368 -9.273 7.802 231 1HG LYS 29 HG2 LYS 29 -5.636 -7.411 7.363 232 2HG LYS 29 HG1 LYS 29 -5.557 -8.278 8.898 233 1HD LYS 29 HD2 LYS 29 -3.299 -6.641 7.744 234 2HD LYS 29 HD1 LYS 29 -4.457 -6.040 8.931 235 1HE LYS 29 HE2 LYS 29 -3.748 -7.833 10.479 236 2HE LYS 29 HE1 LYS 29 -2.546 -8.348 9.296 237 1HZ LYS 29 HZ1 LYS 29 -1.815 -6.806 11.187 238 2HZ LYS 29 HZ2 LYS 29 -2.575 -5.575 10.304 239 3HZ LYS 29 HZ3 LYS 29 -1.289 -6.442 9.617 240 H MET 30 HN MET 30 -5.482 -10.881 4.894 241 HA MET 30 HA MET 30 -7.422 -9.146 3.563 242 1HB MET 30 HB2 MET 30 -7.121 -12.164 3.445 243 2HB MET 30 HB1 MET 30 -8.181 -11.187 2.440 244 1HG MET 30 HG2 MET 30 -6.223 -10.068 1.480 245 2HG MET 30 HG1 MET 30 -5.176 -11.091 2.460 246 1HE MET 30 HE1 MET 30 -3.836 -11.901 0.341 247 2HE MET 30 HE2 MET 30 -4.825 -10.866 -0.688 248 3HE MET 30 HE3 MET 30 -4.591 -12.563 -1.109 249 H ARG 31 HN ARG 31 -9.077 -8.535 4.668 250 HA ARG 31 HA ARG 31 -10.060 -9.989 6.991 251 1HB ARG 31 HB2 ARG 31 -10.696 -7.297 5.786 252 2HB ARG 31 HB1 ARG 31 -11.544 -7.946 7.182 253 1HG ARG 31 HG2 ARG 31 -9.657 -7.779 8.543 254 2HG ARG 31 HG1 ARG 31 -8.565 -7.624 7.163 255 1HD ARG 31 HD2 ARG 31 -9.010 -5.495 8.421 256 2HD ARG 31 HD1 ARG 31 -9.326 -5.433 6.690 257 HE ARG 31 HE ARG 31 -11.730 -6.089 7.887 258 1HH1 ARG 31 HH11 ARG 31 -9.467 -3.410 7.966 259 2HH1 ARG 31 HH12 ARG 31 -10.700 -2.236 8.353 260 1HH2 ARG 31 HH21 ARG 31 -13.330 -4.540 8.365 261 2HH2 ARG 31 HH22 ARG 31 -12.878 -2.876 8.583 262 H ASN 32 HN ASN 32 -12.426 -10.194 7.261 263 HA ASN 32 HA ASN 32 -14.497 -10.897 6.636 264 1HB ASN 32 HB2 ASN 32 -14.403 -8.536 5.637 265 2HB ASN 32 HB1 ASN 32 -14.112 -9.325 4.090 266 1HD2 ASN 32 HD21 ASN 32 -16.025 -8.536 3.228 267 2HD2 ASN 32 HD22 ASN 32 -17.577 -9.151 3.697 268 H ASN 33 HN ASN 33 -12.817 -12.861 6.259 269 HA ASN 33 HA ASN 33 -12.646 -14.889 5.242 270 1HB ASN 33 HB2 ASN 33 -15.104 -14.612 4.859 271 2HB ASN 33 HB1 ASN 33 -14.739 -13.895 3.295 272 1HD2 ASN 33 HD21 ASN 33 -15.827 -15.467 2.170 273 2HD2 ASN 33 HD22 ASN 33 -15.225 -17.084 2.009 274 H GLY 34 HN GLY 34 -11.534 -12.142 4.112 275 1HA GLY 34 HA2 GLY 34 -9.508 -12.076 2.855 276 2HA GLY 34 HA1 GLY 34 -10.054 -13.478 1.952 277 H LYS 35 HN LYS 35 -12.354 -10.993 2.499 278 HA LYS 35 HA LYS 35 -12.426 -10.460 -0.360 279 1HB LYS 35 HB2 LYS 35 -14.280 -9.642 1.881 280 2HB LYS 35 HB1 LYS 35 -14.528 -9.228 0.189 281 1HG LYS 35 HG2 LYS 35 -14.451 -11.996 1.357 282 2HG LYS 35 HG1 LYS 35 -15.888 -11.126 0.810 283 1HD LYS 35 HD2 LYS 35 -14.907 -11.022 -1.464 284 2HD LYS 35 HD1 LYS 35 -13.561 -12.007 -0.894 285 1HE LYS 35 HE2 LYS 35 -15.133 -13.807 -0.334 286 2HE LYS 35 HE1 LYS 35 -16.465 -12.818 -0.934 287 1HZ LYS 35 HZ1 LYS 35 -15.397 -12.811 -3.120 288 2HZ LYS 35 HZ2 LYS 35 -15.761 -14.385 -2.609 289 3HZ LYS 35 HZ3 LYS 35 -14.165 -13.816 -2.529 290 H VAL 36 HN VAL 36 -11.361 -8.973 2.540 291 HA VAL 36 HA VAL 36 -10.981 -6.438 1.095 292 HB VAL 36 HB VAL 36 -11.616 -6.860 4.016 293 1HG1 VAL 36 HG11 VAL 36 -11.515 -4.412 4.229 294 2HG1 VAL 36 HG12 VAL 36 -10.926 -4.300 2.570 295 3HG1 VAL 36 HG13 VAL 36 -9.948 -5.101 3.801 296 1HG2 VAL 36 HG21 VAL 36 -13.594 -5.496 3.518 297 2HG2 VAL 36 HG22 VAL 36 -13.554 -6.974 2.557 298 3HG2 VAL 36 HG23 VAL 36 -13.114 -5.431 1.823 299 H MET 37 HN MET 37 -8.912 -5.924 0.797 300 HA MET 37 HA MET 37 -6.863 -7.197 2.432 301 1HB MET 37 HB2 MET 37 -6.867 -5.656 -0.138 302 2HB MET 37 HB1 MET 37 -5.380 -5.734 0.807 303 1HG MET 37 HG2 MET 37 -5.482 -8.187 0.733 304 2HG MET 37 HG1 MET 37 -6.945 -8.082 -0.245 305 1HE MET 37 HE1 MET 37 -3.161 -6.944 -0.098 306 2HE MET 37 HE2 MET 37 -4.028 -5.507 -0.643 307 3HE MET 37 HE3 MET 37 -2.936 -6.347 -1.743 308 H ASP 38 HN ASP 38 -6.416 -6.294 4.292 309 HA ASP 38 HA ASP 38 -6.788 -3.437 4.680 310 1HB ASP 38 HB2 ASP 38 -7.438 -5.332 6.332 311 2HB ASP 38 HB1 ASP 38 -5.724 -5.385 6.721 312 H LEU 39 HN LEU 39 -5.214 -2.212 3.962 313 HA LEU 39 HA LEU 39 -2.498 -3.165 3.747 314 1HB LEU 39 HB2 LEU 39 -3.905 -0.623 2.975 315 2HB LEU 39 HB1 LEU 39 -2.154 -0.714 2.949 316 HG LEU 39 HG LEU 39 -2.145 -2.296 1.219 317 1HD1 LEU 39 HD11 LEU 39 -4.134 -3.353 0.298 318 2HD1 LEU 39 HD12 LEU 39 -5.120 -2.573 1.533 319 3HD1 LEU 39 HD13 LEU 39 -3.912 -3.772 1.996 320 1HD2 LEU 39 HD21 LEU 39 -2.601 -0.010 0.520 321 2HD2 LEU 39 HD22 LEU 39 -4.334 -0.312 0.651 322 3HD2 LEU 39 HD23 LEU 39 -3.378 -1.171 -0.558 323 H VAL 40 HN VAL 40 -1.354 -3.261 5.541 324 HA VAL 40 HA VAL 40 -1.839 -1.236 7.625 325 HB VAL 40 HB VAL 40 -0.668 -3.994 7.999 326 1HG1 VAL 40 HG11 VAL 40 -1.189 -3.627 10.354 327 2HG1 VAL 40 HG12 VAL 40 -1.800 -2.017 9.971 328 3HG1 VAL 40 HG13 VAL 40 -0.093 -2.391 9.736 329 1HG2 VAL 40 HG21 VAL 40 -2.843 -4.672 8.861 330 2HG2 VAL 40 HG22 VAL 40 -2.937 -4.197 7.165 331 3HG2 VAL 40 HG23 VAL 40 -3.509 -3.099 8.422 332 H HIS 41 HN HIS 41 -0.219 0.192 7.820 333 HA HIS 41 HA HIS 41 1.810 0.884 8.544 334 1HB HIS 41 HB2 HIS 41 1.908 -1.224 9.811 335 2HB HIS 41 HB1 HIS 41 2.567 -2.038 8.407 336 HD1 HIS 41 HD1 HIS 41 4.444 -2.652 10.248 337 HD2 HIS 41 HD2 HIS 41 4.365 1.291 8.904 338 HE1 HIS 41 HE1 HIS 41 6.661 -1.663 10.902 339 HE2 HIS 41 HE2 HIS 41 6.473 0.780 10.323 340 H THR 42 HN THR 42 2.015 2.027 6.603 341 HA THR 42 HA THR 42 3.839 0.939 4.631 342 HB THR 42 HB THR 42 2.137 2.508 3.822 343 HG1 THR 42 HG1 THR 42 3.553 3.260 2.473 344 1HG2 THR 42 HG21 THR 42 1.775 3.830 5.821 345 2HG2 THR 42 HG22 THR 42 2.211 4.891 4.481 346 3HG2 THR 42 HG23 THR 42 3.409 4.488 5.715 347 H TYR 43 HN TYR 43 6.002 0.976 4.950 348 HA TYR 43 HA TYR 43 7.054 3.183 6.546 349 1HB TYR 43 HB2 TYR 43 6.759 0.969 7.882 350 2HB TYR 43 HB1 TYR 43 8.189 0.447 6.989 351 HD1 TYR 43 HD1 TYR 43 7.158 3.665 8.546 352 HD2 TYR 43 HD2 TYR 43 10.088 0.590 8.335 353 HE1 TYR 43 HE1 TYR 43 8.563 4.919 10.108 354 HE2 TYR 43 HE2 TYR 43 11.511 1.838 9.912 355 HH TYR 43 HH TYR 43 10.345 4.642 11.617 356 H VAL 44 HN VAL 44 8.914 3.985 5.899 357 HA VAL 44 HA VAL 44 10.621 2.572 4.033 358 HB VAL 44 HB VAL 44 8.992 3.519 2.514 359 1HG1 VAL 44 HG11 VAL 44 8.093 5.296 3.894 360 2HG1 VAL 44 HG12 VAL 44 8.626 5.935 2.339 361 3HG1 VAL 44 HG13 VAL 44 9.616 6.182 3.777 362 1HG2 VAL 44 HG21 VAL 44 11.297 3.487 1.780 363 2HG2 VAL 44 HG22 VAL 44 11.562 5.081 2.486 364 3HG2 VAL 44 HG23 VAL 44 10.459 4.893 1.122 365 HA PRO 45 HA PRO 45 13.469 4.805 6.650 366 1HB PRO 45 HB2 PRO 45 15.414 4.063 4.545 367 2HB PRO 45 HB1 PRO 45 15.448 3.734 6.280 368 1HG PRO 45 HG2 PRO 45 14.903 1.797 4.541 369 2HG PRO 45 HG1 PRO 45 14.048 1.895 6.092 370 1HD PRO 45 HD2 PRO 45 13.123 2.711 3.362 371 2HD PRO 45 HD1 PRO 45 12.230 1.871 4.648 372 H SER 46 HN SER 46 15.290 6.396 6.341 373 HA SER 46 HA SER 46 14.164 8.758 5.584 374 1HB SER 46 HB2 SER 46 17.130 8.218 5.729 375 2HB SER 46 HB1 SER 46 16.325 9.771 5.966 376 HG SER 46 HG SER 46 15.118 8.350 7.669 377 H PHE 47 HN PHE 47 16.313 6.768 3.598 378 HA PHE 47 HA PHE 47 16.995 8.701 1.700 379 1HB PHE 47 HB2 PHE 47 18.036 6.427 1.985 380 2HB PHE 47 HB1 PHE 47 16.626 5.759 1.175 381 HD1 PHE 47 HD1 PHE 47 16.765 5.381 -1.087 382 HD2 PHE 47 HD2 PHE 47 19.210 8.401 0.650 383 HE1 PHE 47 HE1 PHE 47 17.832 5.767 -3.270 384 HE2 PHE 47 HE2 PHE 47 20.280 8.791 -1.529 385 HZ PHE 47 HZ PHE 47 19.593 7.474 -3.493 386 H LYS 48 HN LYS 48 14.102 6.748 1.996 387 HA LYS 48 HA LYS 48 13.203 7.727 -0.638 388 1HB LYS 48 HB2 LYS 48 12.637 4.995 0.532 389 2HB LYS 48 HB1 LYS 48 12.214 5.564 -1.078 390 1HG LYS 48 HG2 LYS 48 14.243 5.121 -1.902 391 2HG LYS 48 HG1 LYS 48 15.066 5.757 -0.478 392 1HD LYS 48 HD2 LYS 48 13.884 3.007 -0.839 393 2HD LYS 48 HD1 LYS 48 15.583 3.427 -0.649 394 1HE LYS 48 HE2 LYS 48 14.497 4.513 1.601 395 2HE LYS 48 HE1 LYS 48 13.470 3.095 1.360 396 1HZ LYS 48 HZ1 LYS 48 15.601 2.859 2.754 397 2HZ LYS 48 HZ2 LYS 48 16.414 2.839 1.270 398 3HZ LYS 48 HZ3 LYS 48 15.247 1.656 1.618 399 H ARG 49 HN ARG 49 12.688 8.294 2.403 400 HA ARG 49 HA ARG 49 10.076 7.504 3.030 401 1HB ARG 49 HB2 ARG 49 10.142 9.313 4.734 402 2HB ARG 49 HB1 ARG 49 11.548 8.259 4.771 403 1HG ARG 49 HG2 ARG 49 12.814 9.952 3.504 404 2HG ARG 49 HG1 ARG 49 11.404 11.019 3.580 405 1HD ARG 49 HD2 ARG 49 12.950 9.943 5.936 406 2HD ARG 49 HD1 ARG 49 13.047 11.580 5.300 407 HE ARG 49 HE ARG 49 10.370 11.012 5.976 408 1HH1 ARG 49 HH11 ARG 49 13.493 11.594 7.450 409 2HH1 ARG 49 HH12 ARG 49 12.829 12.176 8.949 410 1HH2 ARG 49 HH21 ARG 49 9.483 11.791 7.953 411 2HH2 ARG 49 HH22 ARG 49 10.547 12.314 9.226 412 H GLY 50 HN GLY 50 11.242 10.538 1.571 413 1HA GLY 50 HA2 GLY 50 8.434 11.257 1.035 414 2HA GLY 50 HA1 GLY 50 9.790 12.378 1.035 415 H LEU 51 HN LEU 51 10.287 9.340 -0.458 416 HA LEU 51 HA LEU 51 10.665 10.670 -3.008 417 1HB LEU 51 HB2 LEU 51 12.276 8.992 -1.990 418 2HB LEU 51 HB1 LEU 51 11.081 7.762 -2.356 419 HG LEU 51 HG LEU 51 11.269 8.317 -4.759 420 1HD1 LEU 51 HD11 LEU 51 13.531 10.099 -3.861 421 2HD1 LEU 51 HD12 LEU 51 11.989 10.648 -4.517 422 3HD1 LEU 51 HD13 LEU 51 13.101 9.725 -5.528 423 1HD2 LEU 51 HD21 LEU 51 13.457 7.299 -5.090 424 2HD2 LEU 51 HD22 LEU 51 12.586 6.503 -3.779 425 3HD2 LEU 51 HD23 LEU 51 13.881 7.644 -3.414 426 H GLY 52 HN GLY 52 8.182 8.975 -1.450 427 1HA GLY 52 HA2 GLY 52 6.053 8.799 -2.642 428 2HA GLY 52 HA1 GLY 52 6.975 8.352 -4.069 429 H LEU 53 HN LEU 53 8.715 6.684 -2.272 430 HA LEU 53 HA LEU 53 7.768 4.233 -3.086 431 1HB LEU 53 HB2 LEU 53 10.088 4.881 -2.312 432 2HB LEU 53 HB1 LEU 53 9.506 4.680 -0.671 433 HG LEU 53 HG LEU 53 10.823 2.748 -1.758 434 1HD1 LEU 53 HD11 LEU 53 8.153 2.233 -0.461 435 2HD1 LEU 53 HD12 LEU 53 9.685 2.517 0.367 436 3HD1 LEU 53 HD13 LEU 53 9.465 1.064 -0.607 437 1HD2 LEU 53 HD21 LEU 53 9.623 2.709 -3.873 438 2HD2 LEU 53 HD22 LEU 53 8.122 2.325 -3.029 439 3HD2 LEU 53 HD23 LEU 53 9.455 1.168 -3.032 440 H ALA 54 HN ALA 54 7.315 5.757 0.091 441 HA ALA 54 HA ALA 54 6.072 3.711 1.455 442 1HB ALA 54 HB1 ALA 54 5.434 6.644 1.545 443 2HB ALA 54 HB2 ALA 54 6.682 5.817 2.478 444 3HB ALA 54 HB3 ALA 54 4.979 5.461 2.769 445 H SER 55 HN SER 55 4.459 6.239 -0.458 446 HA SER 55 HA SER 55 1.892 5.045 -0.324 447 1HB SER 55 HB2 SER 55 3.002 7.098 -2.256 448 2HB SER 55 HB1 SER 55 1.295 6.695 -2.076 449 HG SER 55 HG SER 55 3.010 8.001 -0.253 450 H HIS 56 HN HIS 56 4.579 4.816 -2.500 451 HA HIS 56 HA HIS 56 3.524 3.457 -4.675 452 1HB HIS 56 HB2 HIS 56 6.021 4.169 -3.705 453 2HB HIS 56 HB1 HIS 56 6.095 2.418 -3.743 454 HD1 HIS 56 HD1 HIS 56 5.540 1.353 -6.231 455 HD2 HIS 56 HD2 HIS 56 6.465 5.398 -5.998 456 HE1 HIS 56 HE1 HIS 56 6.180 2.039 -8.568 457 HE2 HIS 56 HE2 HIS 56 6.978 4.423 -8.345 458 H LEU 57 HN LEU 57 4.606 2.286 -1.545 459 HA LEU 57 HA LEU 57 4.265 -0.475 -1.952 460 1HB LEU 57 HB2 LEU 57 3.977 1.123 0.599 461 2HB LEU 57 HB1 LEU 57 4.142 -0.619 0.510 462 HG LEU 57 HG LEU 57 6.255 1.266 -0.519 463 1HD1 LEU 57 HD11 LEU 57 5.900 1.658 1.870 464 2HD1 LEU 57 HD12 LEU 57 7.447 0.868 1.568 465 3HD1 LEU 57 HD13 LEU 57 6.083 -0.069 2.179 466 1HD2 LEU 57 HD21 LEU 57 6.322 -1.654 0.240 467 2HD2 LEU 57 HD22 LEU 57 7.678 -0.703 -0.366 468 3HD2 LEU 57 HD23 LEU 57 6.291 -1.019 -1.406 469 H CYS 58 HN CYS 58 2.055 1.969 -0.644 470 HA CYS 58 HA CYS 58 -0.138 0.284 -0.165 471 1HB CYS 58 HB2 CYS 58 0.010 2.594 0.684 472 2HB CYS 58 HB1 CYS 58 -0.143 3.205 -0.967 473 HG CYS 58 HG CYS 58 -2.736 1.590 -0.979 474 H VAL 59 HN VAL 59 0.844 2.065 -3.049 475 HA VAL 59 HA VAL 59 -1.347 1.452 -4.688 476 HB VAL 59 HB VAL 59 1.538 1.998 -5.395 477 1HG1 VAL 59 HG11 VAL 59 0.450 0.761 -7.214 478 2HG1 VAL 59 HG12 VAL 59 0.789 2.430 -7.670 479 3HG1 VAL 59 HG13 VAL 59 -0.852 1.952 -7.237 480 1HG2 VAL 59 HG21 VAL 59 0.433 3.838 -4.291 481 2HG2 VAL 59 HG22 VAL 59 -0.922 3.733 -5.415 482 3HG2 VAL 59 HG23 VAL 59 0.671 4.219 -5.996 483 H ALA 60 HN ALA 60 1.619 -0.330 -3.997 484 HA ALA 60 HA ALA 60 1.360 -2.340 -5.934 485 1HB ALA 60 HB1 ALA 60 3.414 -1.970 -4.648 486 2HB ALA 60 HB2 ALA 60 2.881 -3.648 -4.552 487 3HB ALA 60 HB3 ALA 60 2.606 -2.556 -3.194 488 H ALA 61 HN ALA 61 -0.088 -2.006 -2.720 489 HA ALA 61 HA ALA 61 -1.197 -4.640 -2.736 490 1HB ALA 61 HB1 ALA 61 -2.006 -2.230 -1.118 491 2HB ALA 61 HB2 ALA 61 -0.781 -3.414 -0.660 492 3HB ALA 61 HB3 ALA 61 -2.469 -3.902 -0.802 493 H PHE 62 HN PHE 62 -2.298 -1.439 -3.736 494 HA PHE 62 HA PHE 62 -4.964 -2.075 -4.340 495 1HB PHE 62 HB2 PHE 62 -3.069 -0.078 -5.571 496 2HB PHE 62 HB1 PHE 62 -4.734 -0.243 -6.103 497 HD1 PHE 62 HD1 PHE 62 -6.226 -0.539 -3.658 498 HD2 PHE 62 HD2 PHE 62 -2.864 1.933 -4.484 499 HE1 PHE 62 HE1 PHE 62 -6.968 1.044 -1.924 500 HE2 PHE 62 HE2 PHE 62 -3.600 3.526 -2.752 501 HZ PHE 62 HZ PHE 62 -5.650 3.072 -1.466 502 H GLU 63 HN GLU 63 -2.076 -2.114 -6.375 503 HA GLU 63 HA GLU 63 -3.148 -3.027 -8.752 504 1HB GLU 63 HB2 GLU 63 -0.469 -3.678 -7.508 505 2HB GLU 63 HB1 GLU 63 -0.880 -3.953 -9.195 506 1HG GLU 63 HG2 GLU 63 -1.072 -1.235 -7.964 507 2HG GLU 63 HG1 GLU 63 0.450 -1.864 -8.593 508 H HIS 64 HN HIS 64 -2.245 -4.824 -5.882 509 HA HIS 64 HA HIS 64 -2.457 -7.402 -7.095 510 1HB HIS 64 HB2 HIS 64 -1.048 -6.921 -5.102 511 2HB HIS 64 HB1 HIS 64 -2.513 -6.665 -4.164 512 HD1 HIS 64 HD1 HIS 64 -3.389 -8.671 -2.987 513 HD2 HIS 64 HD2 HIS 64 -0.918 -9.695 -6.167 514 HE1 HIS 64 HE1 HIS 64 -3.140 -11.169 -2.871 515 HE2 HIS 64 HE2 HIS 64 -1.832 -11.783 -4.936 516 H ALA 65 HN ALA 65 -4.494 -5.574 -4.822 517 HA ALA 65 HA ALA 65 -6.497 -7.564 -4.650 518 1HB ALA 65 HB1 ALA 65 -7.831 -5.872 -3.533 519 2HB ALA 65 HB2 ALA 65 -6.715 -4.618 -4.073 520 3HB ALA 65 HB3 ALA 65 -6.172 -5.852 -2.937 521 H SER 66 HN SER 66 -6.401 -4.466 -6.415 522 HA SER 66 HA SER 66 -8.855 -4.604 -7.670 523 1HB SER 66 HB2 SER 66 -7.383 -2.646 -7.805 524 2HB SER 66 HB1 SER 66 -6.272 -3.543 -8.839 525 HG SER 66 HG SER 66 -7.439 -2.859 -10.428 526 H SER 67 HN SER 67 -5.818 -6.136 -8.731 527 HA SER 67 HA SER 67 -6.831 -7.067 -11.205 528 1HB SER 67 HB2 SER 67 -4.492 -8.054 -9.558 529 2HB SER 67 HB1 SER 67 -4.828 -8.544 -11.219 530 HG SER 67 HG SER 67 -3.845 -6.137 -10.220 531 H HIS 68 HN HIS 68 -6.856 -8.419 -7.971 532 HA HIS 68 HA HIS 68 -7.833 -10.985 -8.975 533 1HB HIS 68 HB2 HIS 68 -6.048 -10.821 -7.181 534 2HB HIS 68 HB1 HIS 68 -7.285 -10.179 -6.111 535 HD1 HIS 68 HD1 HIS 68 -6.310 -13.351 -7.904 536 HD2 HIS 68 HD2 HIS 68 -8.942 -12.057 -4.958 537 HE1 HIS 68 HE1 HIS 68 -7.263 -15.437 -6.880 538 HE2 HIS 68 HE2 HIS 68 -8.669 -14.622 -4.947 539 H SER 69 HN SER 69 -9.171 -8.106 -8.368 540 HA SER 69 HA SER 69 -11.220 -7.308 -7.841 541 1HB SER 69 HB2 SER 69 -12.008 -9.149 -9.359 542 2HB SER 69 HB1 SER 69 -12.184 -10.180 -7.940 543 HG SER 69 HG SER 69 -14.162 -9.291 -8.264 544 H ILE 70 HN ILE 70 -10.116 -6.852 -5.821 545 HA ILE 70 HA ILE 70 -11.427 -8.174 -3.549 546 HB ILE 70 HB ILE 70 -8.504 -7.353 -3.592 547 1HG1 ILE 70 HG12 ILE 70 -9.707 -10.130 -3.612 548 2HG1 ILE 70 HG11 ILE 70 -8.887 -9.358 -4.967 549 1HG2 ILE 70 HG21 ILE 70 -9.558 -7.156 -1.392 550 2HG2 ILE 70 HG22 ILE 70 -8.361 -8.450 -1.427 551 3HG2 ILE 70 HG23 ILE 70 -10.081 -8.839 -1.494 552 1HD1 ILE 70 HD11 ILE 70 -6.814 -9.303 -3.675 553 2HD1 ILE 70 HD12 ILE 70 -7.436 -10.944 -3.844 554 3HD1 ILE 70 HD13 ILE 70 -7.640 -10.077 -2.321 555 H SER 71 HN SER 71 -11.836 -6.775 -1.779 556 HA SER 71 HA SER 71 -11.699 -3.931 -2.404 557 1HB SER 71 HB2 SER 71 -12.936 -5.362 -0.027 558 2HB SER 71 HB1 SER 71 -13.131 -3.654 -0.424 559 HG SER 71 HG SER 71 -13.851 -4.789 -2.590 560 H ILE 72 HN ILE 72 -11.004 -2.490 -0.461 561 HA ILE 72 HA ILE 72 -8.726 -3.695 0.946 562 HB ILE 72 HB ILE 72 -8.543 -1.400 -1.028 563 1HG1 ILE 72 HG12 ILE 72 -7.225 -4.104 -0.818 564 2HG1 ILE 72 HG11 ILE 72 -8.214 -3.479 -2.138 565 1HG2 ILE 72 HG21 ILE 72 -7.356 -0.708 0.963 566 2HG2 ILE 72 HG22 ILE 72 -6.224 -1.071 -0.340 567 3HG2 ILE 72 HG23 ILE 72 -6.453 -2.225 0.976 568 1HD1 ILE 72 HD11 ILE 72 -5.460 -2.521 -1.388 569 2HD1 ILE 72 HD12 ILE 72 -6.453 -1.885 -2.697 570 3HD1 ILE 72 HD13 ILE 72 -5.875 -3.549 -2.760 571 H ILE 73 HN ILE 73 -7.973 -2.476 2.711 572 HA ILE 73 HA ILE 73 -9.364 -0.005 3.465 573 HB ILE 73 HB ILE 73 -9.118 -2.476 5.202 574 1HG1 ILE 73 HG12 ILE 73 -11.156 -2.311 3.842 575 2HG1 ILE 73 HG11 ILE 73 -11.519 -2.163 5.559 576 1HG2 ILE 73 HG21 ILE 73 -9.722 0.344 6.084 577 2HG2 ILE 73 HG22 ILE 73 -8.292 -0.607 6.499 578 3HG2 ILE 73 HG23 ILE 73 -9.882 -1.096 7.091 579 1HD1 ILE 73 HD11 ILE 73 -12.814 -0.596 4.233 580 2HD1 ILE 73 HD12 ILE 73 -11.327 0.110 3.599 581 3HD1 ILE 73 HD13 ILE 73 -11.708 0.250 5.315 582 HA PRO 74 HA PRO 74 -4.983 0.469 4.201 583 1HB PRO 74 HB2 PRO 74 -4.928 3.158 3.757 584 2HB PRO 74 HB1 PRO 74 -4.972 1.942 2.477 585 1HG PRO 74 HG2 PRO 74 -7.036 3.826 3.271 586 2HG PRO 74 HG1 PRO 74 -6.987 2.761 1.860 587 1HD PRO 74 HD2 PRO 74 -8.376 2.394 4.415 588 2HD PRO 74 HD1 PRO 74 -8.605 1.533 2.878 589 H SER 75 HN SER 75 -4.610 0.115 6.370 590 HA SER 75 HA SER 75 -5.050 2.153 8.351 591 1HB SER 75 HB2 SER 75 -4.730 -0.248 8.952 592 2HB SER 75 HB1 SER 75 -3.073 -0.155 8.357 593 HG SER 75 HG SER 75 -3.995 0.465 10.769 594 H CYS 76 HN CYS 76 -2.809 1.412 5.909 595 HA CYS 76 HA CYS 76 -0.728 3.221 6.472 596 1HB CYS 76 HB2 CYS 76 -1.662 2.360 3.730 597 2HB CYS 76 HB1 CYS 76 -0.084 2.984 4.179 598 HG CYS 76 HG CYS 76 -1.383 -0.038 5.083 599 H SER 77 HN SER 77 -3.598 4.171 6.673 600 HA SER 77 HA SER 77 -4.490 5.742 4.635 601 1HB SER 77 HB2 SER 77 -5.690 6.999 6.520 602 2HB SER 77 HB1 SER 77 -5.950 5.259 6.401 603 HG SER 77 HG SER 77 -5.475 5.537 8.496 604 H TYR 78 HN TYR 78 -1.667 6.523 6.478 605 HA TYR 78 HA TYR 78 -1.574 9.292 6.041 606 1HB TYR 78 HB2 TYR 78 0.439 8.832 6.980 607 2HB TYR 78 HB1 TYR 78 0.370 7.150 6.469 608 HD1 TYR 78 HD1 TYR 78 1.306 10.568 5.319 609 HD2 TYR 78 HD2 TYR 78 1.683 6.379 4.673 610 HE1 TYR 78 HE1 TYR 78 3.056 10.985 3.642 611 HE2 TYR 78 HE2 TYR 78 3.428 6.781 2.990 612 HH TYR 78 HH TYR 78 4.959 9.787 2.624 613 H VAL 79 HN VAL 79 -0.790 6.567 3.932 614 HA VAL 79 HA VAL 79 -0.268 8.002 1.572 615 HB VAL 79 HB VAL 79 -1.383 5.209 1.906 616 1HG1 VAL 79 HG11 VAL 79 -1.811 6.105 -0.325 617 2HG1 VAL 79 HG12 VAL 79 -0.620 4.806 -0.369 618 3HG1 VAL 79 HG13 VAL 79 -0.098 6.487 -0.505 619 1HG2 VAL 79 HG21 VAL 79 0.917 4.464 1.549 620 2HG2 VAL 79 HG22 VAL 79 0.784 5.483 2.982 621 3HG2 VAL 79 HG23 VAL 79 1.453 6.142 1.489 622 H SER 80 HN SER 80 -3.215 6.435 2.791 623 HA SER 80 HA SER 80 -4.703 6.912 0.445 624 1HB SER 80 HB2 SER 80 -6.656 6.239 1.697 625 2HB SER 80 HB1 SER 80 -5.302 5.218 2.176 626 HG SER 80 HG SER 80 -6.827 6.817 3.688 627 H ASP 81 HN ASP 81 -4.144 8.845 3.278 628 HA ASP 81 HA ASP 81 -6.238 10.694 2.943 629 1HB ASP 81 HB2 ASP 81 -5.204 10.629 5.069 630 2HB ASP 81 HB1 ASP 81 -3.595 10.824 4.385 631 H THR 82 HN THR 82 -2.808 10.917 2.029 632 HA THR 82 HA THR 82 -3.371 13.359 0.554 633 HB THR 82 HB THR 82 -1.346 13.390 1.844 634 HG1 THR 82 HG1 THR 82 -1.046 14.593 0.052 635 1HG2 THR 82 HG21 THR 82 -0.434 11.023 0.199 636 2HG2 THR 82 HG22 THR 82 -0.841 11.002 1.914 637 3HG2 THR 82 HG23 THR 82 0.560 11.915 1.351 638 H PHE 83 HN PHE 83 -2.174 10.101 -0.165 639 HA PHE 83 HA PHE 83 -1.611 10.696 -2.894 640 1HB PHE 83 HB2 PHE 83 -0.642 8.905 -1.234 641 2HB PHE 83 HB1 PHE 83 -1.917 7.906 -1.911 642 HD1 PHE 83 HD1 PHE 83 -1.298 6.529 -3.616 643 HD2 PHE 83 HD2 PHE 83 0.660 10.282 -3.198 644 HE1 PHE 83 HE1 PHE 83 0.121 5.998 -5.553 645 HE2 PHE 83 HE2 PHE 83 2.090 9.756 -5.130 646 HZ PHE 83 HZ PHE 83 1.819 7.629 -6.317 647 H LEU 84 HN LEU 84 -4.361 9.243 -1.251 648 HA LEU 84 HA LEU 84 -5.379 8.140 -3.698 649 1HB LEU 84 HB2 LEU 84 -6.336 8.194 -0.899 650 2HB LEU 84 HB1 LEU 84 -7.491 7.839 -2.173 651 HG LEU 84 HG LEU 84 -4.899 6.344 -1.745 652 1HD1 LEU 84 HD11 LEU 84 -7.722 5.570 -1.049 653 2HD1 LEU 84 HD12 LEU 84 -6.426 5.932 0.089 654 3HD1 LEU 84 HD13 LEU 84 -6.312 4.514 -0.955 655 1HD2 LEU 84 HD21 LEU 84 -5.667 6.347 -4.060 656 2HD2 LEU 84 HD22 LEU 84 -7.256 5.785 -3.540 657 3HD2 LEU 84 HD23 LEU 84 -5.845 4.749 -3.333 658 HA PRO 85 HA PRO 85 -8.234 12.075 -3.718 659 1HB PRO 85 HB2 PRO 85 -6.162 13.938 -2.697 660 2HB PRO 85 HB1 PRO 85 -7.917 13.983 -2.486 661 1HG PRO 85 HG2 PRO 85 -6.306 13.277 -0.486 662 2HG PRO 85 HG1 PRO 85 -7.876 12.493 -0.728 663 1HD PRO 85 HD2 PRO 85 -5.132 11.473 -1.358 664 2HD PRO 85 HD1 PRO 85 -6.555 10.604 -0.742 665 H ARG 86 HN ARG 86 -4.757 11.847 -3.876 666 HA ARG 86 HA ARG 86 -4.428 13.374 -6.274 667 1HB ARG 86 HB2 ARG 86 -2.613 13.161 -4.689 668 2HB ARG 86 HB1 ARG 86 -2.645 11.409 -4.825 669 1HG ARG 86 HG2 ARG 86 -1.866 11.565 -7.126 670 2HG ARG 86 HG1 ARG 86 -1.858 13.329 -7.009 671 1HD ARG 86 HD2 ARG 86 -0.169 13.276 -5.320 672 2HD ARG 86 HD1 ARG 86 -0.291 11.523 -5.179 673 HE ARG 86 HE ARG 86 0.479 11.643 -7.667 674 1HH1 ARG 86 HH11 ARG 86 1.517 13.706 -5.044 675 2HH1 ARG 86 HH12 ARG 86 3.117 13.947 -5.685 676 1HH2 ARG 86 HH21 ARG 86 2.583 11.945 -8.526 677 2HH2 ARG 86 HH22 ARG 86 3.725 12.938 -7.667 678 H ASN 87 HN ASN 87 -5.030 10.026 -5.499 679 HA ASN 87 HA ASN 87 -5.400 9.439 -8.351 680 1HB ASN 87 HB2 ASN 87 -3.916 7.671 -6.385 681 2HB ASN 87 HB1 ASN 87 -4.424 7.164 -7.991 682 1HD2 ASN 87 HD21 ASN 87 -2.216 9.100 -6.159 683 2HD2 ASN 87 HD22 ASN 87 -1.122 9.440 -7.460 684 HA PRO 88 HA PRO 88 -8.917 8.140 -5.591 685 1HB PRO 88 HB2 PRO 88 -10.663 9.488 -7.484 686 2HB PRO 88 HB1 PRO 88 -10.412 9.832 -5.772 687 1HG PRO 88 HG2 PRO 88 -9.594 11.504 -7.741 688 2HG PRO 88 HG1 PRO 88 -8.749 11.356 -6.188 689 1HD PRO 88 HD2 PRO 88 -8.078 10.115 -8.837 690 2HD PRO 88 HD1 PRO 88 -7.000 10.892 -7.655 691 H SER 89 HN SER 89 -7.687 6.515 -7.597 692 HA SER 89 HA SER 89 -9.924 5.623 -9.280 693 1HB SER 89 HB2 SER 89 -6.989 4.882 -9.415 694 2HB SER 89 HB1 SER 89 -8.230 4.426 -10.582 695 HG SER 89 HG SER 89 -6.769 6.438 -10.861 696 H TRP 90 HN TRP 90 -8.692 4.956 -6.313 697 HA TRP 90 HA TRP 90 -9.042 2.043 -6.604 698 1HB TRP 90 HB2 TRP 90 -7.492 3.452 -4.434 699 2HB TRP 90 HB1 TRP 90 -7.471 1.738 -4.832 700 HD1 TRP 90 HD1 TRP 90 -5.585 4.842 -5.440 701 HE1 TRP 90 HE1 TRP 90 -3.872 4.526 -7.331 702 HE3 TRP 90 HE3 TRP 90 -7.283 0.410 -7.336 703 HZ2 TRP 90 HZ2 TRP 90 -3.316 2.649 -9.363 704 HZ3 TRP 90 HZ3 TRP 90 -6.106 -0.576 -9.259 705 HH2 TRP 90 HH2 TRP 90 -4.163 0.523 -10.250 706 H LYS 91 HN LYS 91 -10.719 4.577 -5.794 707 HA LYS 91 HA LYS 91 -11.780 4.164 -3.263 708 1HB LYS 91 HB2 LYS 91 -12.192 6.160 -4.673 709 2HB LYS 91 HB1 LYS 91 -13.235 5.190 -5.704 710 1HG LYS 91 HG2 LYS 91 -14.776 4.833 -3.894 711 2HG LYS 91 HG1 LYS 91 -13.700 5.663 -2.770 712 1HD LYS 91 HD2 LYS 91 -15.438 7.176 -3.384 713 2HD LYS 91 HD1 LYS 91 -13.951 7.715 -4.165 714 1HE LYS 91 HE2 LYS 91 -15.791 7.871 -5.707 715 2HE LYS 91 HE1 LYS 91 -14.672 6.616 -6.242 716 1HZ LYS 91 HZ1 LYS 91 -16.194 4.978 -5.148 717 2HZ LYS 91 HZ2 LYS 91 -16.864 5.774 -6.483 718 3HZ LYS 91 HZ3 LYS 91 -17.303 6.242 -4.911 719 HA PRO 92 HA PRO 92 -14.984 1.114 -5.527 720 1HB PRO 92 HB2 PRO 92 -13.568 -0.481 -7.294 721 2HB PRO 92 HB1 PRO 92 -14.687 0.808 -7.750 722 1HG PRO 92 HG2 PRO 92 -11.706 0.882 -7.507 723 2HG PRO 92 HG1 PRO 92 -12.750 1.606 -8.747 724 1HD PRO 92 HD2 PRO 92 -11.723 3.111 -6.821 725 2HD PRO 92 HD1 PRO 92 -13.404 3.354 -7.343 726 H LEU 93 HN LEU 93 -11.664 0.692 -4.666 727 HA LEU 93 HA LEU 93 -12.075 -2.077 -3.841 728 1HB LEU 93 HB2 LEU 93 -9.622 -0.374 -3.431 729 2HB LEU 93 HB1 LEU 93 -9.728 -2.126 -3.425 730 HG LEU 93 HG LEU 93 -10.226 -0.410 -5.849 731 1HD1 LEU 93 HD11 LEU 93 -7.760 -1.975 -5.062 732 2HD1 LEU 93 HD12 LEU 93 -7.898 -0.217 -5.118 733 3HD1 LEU 93 HD13 LEU 93 -8.014 -1.158 -6.605 734 1HD2 LEU 93 HD21 LEU 93 -11.349 -2.553 -5.948 735 2HD2 LEU 93 HD22 LEU 93 -9.863 -3.388 -5.491 736 3HD2 LEU 93 HD23 LEU 93 -9.968 -2.559 -7.045 737 H ILE 94 HN ILE 94 -11.138 1.024 -2.446 738 HA ILE 94 HA ILE 94 -11.591 -0.014 0.248 739 HB ILE 94 HB ILE 94 -10.539 2.029 1.040 740 1HG1 ILE 94 HG12 ILE 94 -10.174 2.839 -1.849 741 2HG1 ILE 94 HG11 ILE 94 -11.444 3.489 -0.813 742 1HG2 ILE 94 HG21 ILE 94 -8.300 1.748 0.053 743 2HG2 ILE 94 HG22 ILE 94 -9.008 0.756 -1.222 744 3HG2 ILE 94 HG23 ILE 94 -9.061 0.208 0.454 745 1HD1 ILE 94 HD11 ILE 94 -8.498 3.672 -0.261 746 2HD1 ILE 94 HD12 ILE 94 -9.797 4.396 0.689 747 3HD1 ILE 94 HD13 ILE 94 -9.490 4.956 -0.956 748 H HIS 95 HN HIS 95 -12.171 2.529 1.391 749 HA HIS 95 HA HIS 95 -14.906 2.969 0.540 750 1HB HIS 95 HB2 HIS 95 -13.221 4.149 2.752 751 2HB HIS 95 HB1 HIS 95 -14.898 4.623 2.443 752 HD1 HIS 95 HD1 HIS 95 -16.385 2.078 2.154 753 HD2 HIS 95 HD2 HIS 95 -13.225 2.458 4.828 754 HE1 HIS 95 HE1 HIS 95 -16.709 0.256 3.845 755 HE2 HIS 95 HE2 HIS 95 -14.897 0.630 5.554 756 H SER 96 HN SER 96 -12.335 5.268 1.376 757 HA SER 96 HA SER 96 -11.655 6.256 -1.095 758 1HB SER 96 HB2 SER 96 -12.970 8.478 -1.001 759 2HB SER 96 HB1 SER 96 -13.832 7.056 -1.599 760 HG SER 96 HG SER 96 -13.925 7.671 1.142 761 H GLU 97 HN GLU 97 -9.704 6.945 -0.401 762 HA GLU 97 HA GLU 97 -8.131 8.270 0.539 763 1HB GLU 97 HB2 GLU 97 -9.865 10.004 -0.068 764 2HB GLU 97 HB1 GLU 97 -10.445 9.904 1.587 765 1HG GLU 97 HG2 GLU 97 -7.992 10.477 2.201 766 2HG GLU 97 HG1 GLU 97 -7.903 11.046 0.532 767 H VAL 98 HN VAL 98 -8.695 9.735 3.124 768 HA VAL 98 HA VAL 98 -8.281 7.434 4.858 769 HB VAL 98 HB VAL 98 -6.650 9.240 4.987 770 1HG1 VAL 98 HG11 VAL 98 -8.931 10.955 5.958 771 2HG1 VAL 98 HG12 VAL 98 -8.073 11.125 4.426 772 3HG1 VAL 98 HG13 VAL 98 -7.227 11.414 5.945 773 1HG2 VAL 98 HG21 VAL 98 -8.301 8.964 7.495 774 2HG2 VAL 98 HG22 VAL 98 -6.636 9.543 7.423 775 3HG2 VAL 98 HG23 VAL 98 -7.013 7.882 6.963 776 H PHE 99 HN PHE 99 -10.538 10.179 4.538 777 HA PHE 99 HA PHE 99 -12.622 8.827 5.847 778 1HB PHE 99 HB2 PHE 99 -12.811 10.256 7.894 779 2HB PHE 99 HB1 PHE 99 -11.461 9.136 7.904 780 HD1 PHE 99 HD1 PHE 99 -9.482 9.951 8.783 781 HD2 PHE 99 HD2 PHE 99 -12.137 12.648 6.833 782 HE1 PHE 99 HE1 PHE 99 -7.954 11.812 9.278 783 HE2 PHE 99 HE2 PHE 99 -10.614 14.511 7.336 784 HZ PHE 99 HZ PHE 99 -8.527 14.065 8.682 785 H LYS 100 HN LYS 100 -11.742 10.836 3.679 786 HA LYS 100 HA LYS 100 -13.339 13.146 3.863 787 1HB LYS 100 HB2 LYS 100 -13.237 13.172 1.401 788 2HB LYS 100 HB1 LYS 100 -11.658 12.800 2.086 789 1HG LYS 100 HG2 LYS 100 -11.574 10.843 1.042 790 2HG LYS 100 HG1 LYS 100 -13.169 10.389 1.636 791 1HD LYS 100 HD2 LYS 100 -13.674 10.417 -0.564 792 2HD LYS 100 HD1 LYS 100 -13.883 12.148 -0.251 793 1HE LYS 100 HE2 LYS 100 -11.355 10.857 -1.279 794 2HE LYS 100 HE1 LYS 100 -12.530 11.719 -2.267 795 1HZ LYS 100 HZ1 LYS 100 -10.736 13.180 -1.781 796 2HZ LYS 100 HZ2 LYS 100 -10.817 12.861 -0.117 797 3HZ LYS 100 HZ3 LYS 100 -12.074 13.713 -0.885 798 H SER 101 HN SER 101 -14.028 9.865 3.402 799 HA SER 101 HA SER 101 -16.835 10.058 3.359 800 1HB SER 101 HB2 SER 101 -16.483 10.873 1.083 801 2HB SER 101 HB1 SER 101 -15.399 9.523 0.746 802 HG SER 101 HG SER 101 -18.158 9.638 0.749 803 H SER 102 HN SER 102 -17.749 7.928 3.378 804 HA SER 102 HA SER 102 -16.295 5.559 3.081 805 1HB SER 102 HB2 SER 102 -14.969 6.445 4.985 806 2HB SER 102 HB1 SER 102 -16.437 6.499 5.962 807 HG SER 102 HG SER 102 -16.310 4.417 6.267 808 H ILE 103 HN ILE 103 -17.623 3.872 3.144 809 HA ILE 103 HA ILE 103 -19.924 3.775 4.844 810 HB ILE 103 HB ILE 103 -20.813 5.113 2.994 811 1HG1 ILE 103 HG12 ILE 103 -22.182 3.277 4.178 812 2HG1 ILE 103 HG11 ILE 103 -22.832 3.974 2.702 813 1HG2 ILE 103 HG21 ILE 103 -19.404 4.490 1.183 814 2HG2 ILE 103 HG22 ILE 103 -21.069 4.120 0.735 815 3HG2 ILE 103 HG23 ILE 103 -19.982 2.825 1.235 816 1HD1 ILE 103 HD11 ILE 103 -21.420 1.323 2.934 817 2HD1 ILE 103 HD12 ILE 103 -22.069 2.018 1.448 818 3HD1 ILE 103 HD13 ILE 103 -23.158 1.572 2.762 Start of MODEL 10 1 1H MET 1 HT1 MET 1 15.807 15.335 -10.436 2 2H MET 1 HT2 MET 1 16.320 13.842 -9.819 3 3H MET 1 HT3 MET 1 15.853 15.079 -8.758 4 HA MET 1 HA MET 1 14.134 13.428 -8.912 5 1HB MET 1 HB2 MET 1 13.527 16.080 -10.222 6 2HB MET 1 HB1 MET 1 12.274 14.925 -9.798 7 1HG MET 1 HG2 MET 1 12.412 16.588 -8.091 8 2HG MET 1 HG1 MET 1 12.998 15.060 -7.443 9 1HE MET 1 HE1 MET 1 15.160 17.735 -5.555 10 2HE MET 1 HE2 MET 1 14.041 16.382 -5.384 11 3HE MET 1 HE3 MET 1 13.481 17.912 -6.061 12 H ALA 2 HN ALA 2 14.454 11.658 -10.201 13 HA ALA 2 HA ALA 2 13.586 11.962 -13.007 14 1HB ALA 2 HB1 ALA 2 14.934 10.016 -13.559 15 2HB ALA 2 HB2 ALA 2 15.418 9.850 -11.873 16 3HB ALA 2 HB3 ALA 2 15.935 11.256 -12.803 17 H THR 3 HN THR 3 13.081 10.459 -9.971 18 HA THR 3 HA THR 3 11.497 9.066 -9.147 19 HB THR 3 HB THR 3 10.016 9.272 -11.769 20 HG1 THR 3 HG1 THR 3 9.881 11.344 -11.367 21 1HG2 THR 3 HG21 THR 3 9.092 8.935 -8.910 22 2HG2 THR 3 HG22 THR 3 9.145 7.667 -10.134 23 3HG2 THR 3 HG23 THR 3 8.045 9.031 -10.325 24 H GLU 4 HN GLU 4 13.129 7.436 -9.234 25 HA GLU 4 HA GLU 4 13.372 5.675 -11.468 26 1HB GLU 4 HB2 GLU 4 15.107 6.203 -9.625 27 2HB GLU 4 HB1 GLU 4 14.226 5.033 -8.654 28 1HG GLU 4 HG2 GLU 4 16.052 3.898 -9.629 29 2HG GLU 4 HG1 GLU 4 14.603 3.368 -10.484 30 HA PRO 5 HA PRO 5 9.775 3.163 -10.552 31 1HB PRO 5 HB2 PRO 5 11.165 1.188 -12.257 32 2HB PRO 5 HB1 PRO 5 9.558 1.896 -12.441 33 1HG PRO 5 HG2 PRO 5 11.570 2.602 -14.049 34 2HG PRO 5 HG1 PRO 5 10.364 3.783 -13.506 35 1HD PRO 5 HD2 PRO 5 13.157 3.341 -12.529 36 2HD PRO 5 HD1 PRO 5 12.288 4.865 -12.804 37 HA PRO 6 HA PRO 6 11.935 0.913 -7.303 38 1HB PRO 6 HB2 PRO 6 9.269 0.512 -6.179 39 2HB PRO 6 HB1 PRO 6 10.630 1.425 -5.527 40 1HG PRO 6 HG2 PRO 6 8.384 2.623 -6.443 41 2HG PRO 6 HG1 PRO 6 9.984 3.381 -6.554 42 1HD PRO 6 HD2 PRO 6 8.419 1.938 -8.663 43 2HD PRO 6 HD1 PRO 6 9.366 3.439 -8.792 44 H LYS 7 HN LYS 7 11.906 -1.230 -6.432 45 HA LYS 7 HA LYS 7 10.498 -3.169 -8.146 46 1HB LYS 7 HB2 LYS 7 13.180 -3.495 -6.778 47 2HB LYS 7 HB1 LYS 7 12.382 -4.703 -7.762 48 1HG LYS 7 HG2 LYS 7 13.207 -2.033 -8.850 49 2HG LYS 7 HG1 LYS 7 14.283 -3.427 -8.828 50 1HD LYS 7 HD2 LYS 7 13.365 -3.529 -10.949 51 2HD LYS 7 HD1 LYS 7 12.342 -4.638 -10.037 52 1HE LYS 7 HE2 LYS 7 10.675 -2.860 -9.765 53 2HE LYS 7 HE1 LYS 7 11.699 -1.764 -10.691 54 1HZ LYS 7 HZ1 LYS 7 10.420 -4.253 -11.681 55 2HZ LYS 7 HZ2 LYS 7 11.514 -3.320 -12.576 56 3HZ LYS 7 HZ3 LYS 7 10.018 -2.662 -12.116 57 H ILE 8 HN ILE 8 8.765 -3.630 -6.864 58 HA ILE 8 HA ILE 8 9.248 -3.861 -3.997 59 HB ILE 8 HB ILE 8 6.541 -3.950 -5.319 60 1HG1 ILE 8 HG12 ILE 8 7.797 -1.897 -6.035 61 2HG1 ILE 8 HG11 ILE 8 6.352 -1.551 -5.088 62 1HG2 ILE 8 HG21 ILE 8 6.618 -4.647 -3.005 63 2HG2 ILE 8 HG22 ILE 8 5.820 -3.078 -3.120 64 3HG2 ILE 8 HG23 ILE 8 7.492 -3.180 -2.561 65 1HD1 ILE 8 HD11 ILE 8 8.199 -0.115 -4.452 66 2HD1 ILE 8 HD12 ILE 8 9.186 -1.528 -4.073 67 3HD1 ILE 8 HD13 ILE 8 7.744 -1.176 -3.119 68 H VAL 9 HN VAL 9 9.467 -5.803 -3.091 69 HA VAL 9 HA VAL 9 8.672 -8.163 -4.663 70 HB VAL 9 HB VAL 9 10.528 -8.041 -2.281 71 1HG1 VAL 9 HG11 VAL 9 10.029 -10.223 -4.308 72 2HG1 VAL 9 HG12 VAL 9 9.520 -10.236 -2.620 73 3HG1 VAL 9 HG13 VAL 9 11.236 -10.272 -3.024 74 1HG2 VAL 9 HG21 VAL 9 11.167 -8.099 -5.220 75 2HG2 VAL 9 HG22 VAL 9 12.345 -8.255 -3.916 76 3HG2 VAL 9 HG23 VAL 9 11.438 -6.754 -4.115 77 H TRP 10 HN TRP 10 7.153 -9.533 -3.930 78 HA TRP 10 HA TRP 10 5.742 -8.779 -1.529 79 1HB TRP 10 HB2 TRP 10 4.454 -9.469 -3.477 80 2HB TRP 10 HB1 TRP 10 5.239 -11.049 -3.461 81 HD1 TRP 10 HD1 TRP 10 3.858 -9.266 -0.338 82 HE1 TRP 10 HE1 TRP 10 2.021 -10.717 0.700 83 HE3 TRP 10 HE3 TRP 10 3.579 -12.887 -3.939 84 HZ2 TRP 10 HZ2 TRP 10 0.607 -13.090 0.059 85 HZ3 TRP 10 HZ3 TRP 10 1.954 -14.710 -3.648 86 HH2 TRP 10 HH2 TRP 10 0.500 -14.808 -1.690 87 H ASN 11 HN ASN 11 6.684 -9.277 0.305 88 HA ASN 11 HA ASN 11 8.067 -11.798 0.682 89 1HB ASN 11 HB2 ASN 11 8.757 -9.528 1.717 90 2HB ASN 11 HB1 ASN 11 7.434 -9.793 2.846 91 1HD2 ASN 11 HD21 ASN 11 7.600 -11.438 4.374 92 2HD2 ASN 11 HD22 ASN 11 9.101 -12.213 4.730 93 H GLU 12 HN GLU 12 6.230 -13.066 0.199 94 HA GLU 12 HA GLU 12 3.724 -12.945 1.322 95 1HB GLU 12 HB2 GLU 12 3.600 -15.403 0.743 96 2HB GLU 12 HB1 GLU 12 4.055 -14.323 -0.568 97 1HG GLU 12 HG2 GLU 12 6.440 -14.908 -0.118 98 2HG GLU 12 HG1 GLU 12 5.864 -16.115 1.033 99 H GLY 13 HN GLY 13 6.635 -14.370 2.684 100 1HA GLY 13 HA2 GLY 13 5.397 -15.931 4.688 101 2HA GLY 13 HA1 GLY 13 7.046 -15.328 4.734 102 H LYS 14 HN LYS 14 5.794 -12.540 4.407 103 HA LYS 14 HA LYS 14 5.095 -12.178 7.246 104 1HB LYS 14 HB2 LYS 14 6.940 -10.705 5.461 105 2HB LYS 14 HB1 LYS 14 5.939 -9.715 6.507 106 1HG LYS 14 HG2 LYS 14 8.093 -10.147 7.517 107 2HG LYS 14 HG1 LYS 14 6.809 -10.878 8.464 108 1HD LYS 14 HD2 LYS 14 7.865 -12.710 6.489 109 2HD LYS 14 HD1 LYS 14 9.129 -12.104 7.564 110 1HE LYS 14 HE2 LYS 14 6.513 -13.262 8.481 111 2HE LYS 14 HE1 LYS 14 8.018 -14.174 8.388 112 1HZ LYS 14 HZ1 LYS 14 7.568 -11.757 10.067 113 2HZ LYS 14 HZ2 LYS 14 8.990 -12.678 10.009 114 3HZ LYS 14 HZ3 LYS 14 7.566 -13.358 10.632 115 H ARG 15 HN ARG 15 3.650 -12.388 4.422 116 HA ARG 15 HA ARG 15 1.688 -11.644 3.528 117 1HB ARG 15 HB2 ARG 15 1.372 -10.416 6.274 118 2HB ARG 15 HB1 ARG 15 0.104 -10.470 5.061 119 1HG ARG 15 HG2 ARG 15 1.407 -13.000 5.915 120 2HG ARG 15 HG1 ARG 15 0.213 -12.239 6.969 121 1HD ARG 15 HD2 ARG 15 -1.263 -12.150 4.851 122 2HD ARG 15 HD1 ARG 15 -0.142 -13.349 4.205 123 HE ARG 15 HE ARG 15 -0.846 -14.338 6.652 124 1HH1 ARG 15 HH11 ARG 15 -2.648 -13.351 3.799 125 2HH1 ARG 15 HH12 ARG 15 -3.977 -14.428 4.121 126 1HH2 ARG 15 HH21 ARG 15 -2.580 -15.756 7.057 127 2HH2 ARG 15 HH22 ARG 15 -3.935 -15.797 5.973 128 H ARG 16 HN ARG 16 4.131 -9.927 3.243 129 HA ARG 16 HA ARG 16 2.747 -7.379 2.837 130 1HB ARG 16 HB2 ARG 16 4.446 -6.104 3.896 131 2HB ARG 16 HB1 ARG 16 3.853 -7.287 5.029 132 1HG ARG 16 HG2 ARG 16 5.835 -8.691 4.530 133 2HG ARG 16 HG1 ARG 16 6.431 -7.391 3.494 134 1HD ARG 16 HD2 ARG 16 6.195 -5.885 5.537 135 2HD ARG 16 HD1 ARG 16 6.028 -7.371 6.469 136 HE ARG 16 HE ARG 16 8.387 -6.967 4.763 137 1HH1 ARG 16 HH11 ARG 16 6.973 -7.461 7.937 138 2HH1 ARG 16 HH12 ARG 16 8.515 -7.662 8.721 139 1HH2 ARG 16 HH21 ARG 16 10.393 -7.221 5.773 140 2HH2 ARG 16 HH22 ARG 16 10.461 -7.526 7.488 141 H PHE 17 HN PHE 17 4.252 -5.746 1.852 142 HA PHE 17 HA PHE 17 5.854 -7.024 -0.285 143 1HB PHE 17 HB2 PHE 17 4.559 -4.290 -0.341 144 2HB PHE 17 HB1 PHE 17 5.455 -5.042 -1.651 145 HD1 PHE 17 HD1 PHE 17 2.284 -4.326 -0.420 146 HD2 PHE 17 HD2 PHE 17 4.481 -7.399 -2.389 147 HE1 PHE 17 HE1 PHE 17 0.189 -5.261 -1.306 148 HE2 PHE 17 HE2 PHE 17 2.386 -8.333 -3.279 149 HZ PHE 17 HZ PHE 17 0.237 -7.263 -2.739 150 H GLU 18 HN GLU 18 7.927 -6.309 -0.605 151 HA GLU 18 HA GLU 18 8.929 -4.213 1.206 152 1HB GLU 18 HB2 GLU 18 9.462 -6.844 1.546 153 2HB GLU 18 HB1 GLU 18 10.743 -6.418 0.427 154 1HG GLU 18 HG2 GLU 18 11.702 -4.900 1.928 155 2HG GLU 18 HG1 GLU 18 10.265 -4.878 2.953 156 H THR 19 HN THR 19 9.906 -2.609 0.194 157 HA THR 19 HA THR 19 10.134 -2.638 -2.651 158 HB THR 19 HB THR 19 9.673 -0.578 -1.288 159 HG1 THR 19 HG1 THR 19 10.307 -0.108 -3.326 160 1HG2 THR 19 HG21 THR 19 12.621 -0.668 -0.686 161 2HG2 THR 19 HG22 THR 19 11.339 -0.995 0.478 162 3HG2 THR 19 HG23 THR 19 11.484 0.609 -0.247 163 H GLU 20 HN GLU 20 12.265 -1.829 -3.641 164 HA GLU 20 HA GLU 20 14.175 -3.863 -3.534 165 1HB GLU 20 HB2 GLU 20 15.493 -2.388 -4.995 166 2HB GLU 20 HB1 GLU 20 13.801 -2.444 -5.485 167 1HG GLU 20 HG2 GLU 20 13.405 -0.323 -4.320 168 2HG GLU 20 HG1 GLU 20 15.114 -0.254 -3.890 169 H ASP 21 HN ASP 21 13.667 -1.337 -1.451 170 HA ASP 21 HA ASP 21 16.456 -0.948 -0.707 171 1HB ASP 21 HB2 ASP 21 14.431 0.810 -0.836 172 2HB ASP 21 HB1 ASP 21 14.208 0.274 0.824 173 H HIS 22 HN HIS 22 13.596 -2.601 0.231 174 HA HIS 22 HA HIS 22 13.042 -4.035 1.873 175 1HB HIS 22 HB2 HIS 22 16.037 -4.227 2.197 176 2HB HIS 22 HB1 HIS 22 14.885 -5.270 3.025 177 HD1 HIS 22 HD1 HIS 22 13.665 -7.061 1.618 178 HD2 HIS 22 HD2 HIS 22 16.386 -4.767 -0.545 179 HE1 HIS 22 HE1 HIS 22 13.983 -8.263 -0.573 180 HE2 HIS 22 HE2 HIS 22 15.485 -6.767 -1.934 181 H GLU 23 HN GLU 23 14.362 -1.113 2.459 182 HA GLU 23 HA GLU 23 14.099 -1.217 5.360 183 1HB GLU 23 HB2 GLU 23 14.856 0.994 3.443 184 2HB GLU 23 HB1 GLU 23 14.743 1.204 5.185 185 1HG GLU 23 HG2 GLU 23 16.595 -0.704 3.768 186 2HG GLU 23 HG1 GLU 23 17.043 0.875 4.428 187 H ALA 24 HN ALA 24 12.263 -0.786 2.648 188 HA ALA 24 HA ALA 24 10.138 0.571 4.143 189 1HB ALA 24 HB1 ALA 24 11.044 2.032 2.377 190 2HB ALA 24 HB2 ALA 24 9.364 1.582 2.081 191 3HB ALA 24 HB3 ALA 24 10.660 0.792 1.183 192 H PHE 25 HN PHE 25 8.230 -0.446 4.177 193 HA PHE 25 HA PHE 25 7.577 -2.485 2.264 194 1HB PHE 25 HB2 PHE 25 7.311 -4.274 3.976 195 2HB PHE 25 HB1 PHE 25 8.989 -3.822 3.698 196 HD1 PHE 25 HD1 PHE 25 6.217 -3.814 6.078 197 HD2 PHE 25 HD2 PHE 25 10.261 -2.663 5.413 198 HE1 PHE 25 HE1 PHE 25 6.505 -3.453 8.494 199 HE2 PHE 25 HE2 PHE 25 10.555 -2.297 7.830 200 HZ PHE 25 HZ PHE 25 8.676 -2.693 9.373 201 H ILE 26 HN ILE 26 5.440 -3.251 2.483 202 HA ILE 26 HA ILE 26 3.785 -1.875 4.472 203 HB ILE 26 HB ILE 26 3.599 -1.574 1.612 204 1HG1 ILE 26 HG12 ILE 26 2.162 -0.454 4.006 205 2HG1 ILE 26 HG11 ILE 26 3.468 0.284 3.086 206 1HG2 ILE 26 HG21 ILE 26 1.186 -1.931 1.316 207 2HG2 ILE 26 HG22 ILE 26 1.104 -2.668 2.918 208 3HG2 ILE 26 HG23 ILE 26 2.034 -3.445 1.636 209 1HD1 ILE 26 HD11 ILE 26 0.665 -0.205 2.115 210 2HD1 ILE 26 HD12 ILE 26 1.968 0.527 1.178 211 3HD1 ILE 26 HD13 ILE 26 1.345 1.346 2.611 212 H GLU 27 HN GLU 27 2.548 -3.209 5.611 213 HA GLU 27 HA GLU 27 2.504 -6.026 4.797 214 1HB GLU 27 HB2 GLU 27 3.279 -5.495 7.086 215 2HB GLU 27 HB1 GLU 27 1.738 -4.717 7.427 216 1HG GLU 27 HG2 GLU 27 0.601 -6.870 7.095 217 2HG GLU 27 HG1 GLU 27 2.160 -7.636 6.805 218 H TYR 28 HN TYR 28 0.492 -7.162 4.659 219 HA TYR 28 HA TYR 28 -1.916 -5.626 5.090 220 1HB TYR 28 HB2 TYR 28 -2.777 -5.699 2.878 221 2HB TYR 28 HB1 TYR 28 -1.130 -5.111 2.713 222 HD1 TYR 28 HD1 TYR 28 -3.436 -7.815 1.947 223 HD2 TYR 28 HD2 TYR 28 0.622 -6.554 1.758 224 HE1 TYR 28 HE1 TYR 28 -2.962 -9.600 0.328 225 HE2 TYR 28 HE2 TYR 28 1.105 -8.337 0.137 226 HH TYR 28 HH TYR 28 -1.369 -10.169 -1.381 227 H LYS 29 HN LYS 29 -3.761 -6.889 5.211 228 HA LYS 29 HA LYS 29 -3.348 -9.765 5.075 229 1HB LYS 29 HB2 LYS 29 -4.395 -10.063 7.326 230 2HB LYS 29 HB1 LYS 29 -2.802 -9.335 7.360 231 1HG LYS 29 HG2 LYS 29 -5.367 -7.777 7.585 232 2HG LYS 29 HG1 LYS 29 -4.441 -8.363 8.964 233 1HD LYS 29 HD2 LYS 29 -3.586 -6.350 6.891 234 2HD LYS 29 HD1 LYS 29 -3.901 -6.057 8.598 235 1HE LYS 29 HE2 LYS 29 -1.729 -7.897 7.624 236 2HE LYS 29 HE1 LYS 29 -1.472 -6.176 7.889 237 1HZ LYS 29 HZ1 LYS 29 -2.252 -6.562 10.218 238 2HZ LYS 29 HZ2 LYS 29 -0.773 -7.292 9.819 239 3HZ LYS 29 HZ3 LYS 29 -2.184 -8.232 9.908 240 H MET 30 HN MET 30 -4.970 -10.774 4.212 241 HA MET 30 HA MET 30 -7.240 -9.247 3.329 242 1HB MET 30 HB2 MET 30 -6.578 -12.181 2.965 243 2HB MET 30 HB1 MET 30 -7.855 -11.310 2.128 244 1HG MET 30 HG2 MET 30 -6.165 -9.860 1.090 245 2HG MET 30 HG1 MET 30 -4.901 -10.782 1.902 246 1HE MET 30 HE1 MET 30 -4.367 -13.329 1.390 247 2HE MET 30 HE2 MET 30 -5.263 -14.305 0.227 248 3HE MET 30 HE3 MET 30 -6.049 -13.757 1.708 249 H ARG 31 HN ARG 31 -8.797 -8.865 4.673 250 HA ARG 31 HA ARG 31 -9.389 -10.691 6.876 251 1HB ARG 31 HB2 ARG 31 -10.232 -7.846 6.293 252 2HB ARG 31 HB1 ARG 31 -10.741 -8.759 7.704 253 1HG ARG 31 HG2 ARG 31 -8.501 -8.863 8.532 254 2HG ARG 31 HG1 ARG 31 -7.862 -8.186 7.034 255 1HD ARG 31 HD2 ARG 31 -7.906 -6.479 8.736 256 2HD ARG 31 HD1 ARG 31 -9.089 -6.100 7.487 257 HE ARG 31 HE ARG 31 -10.500 -7.473 9.398 258 1HH1 ARG 31 HH11 ARG 31 -8.489 -4.587 9.375 259 2HH1 ARG 31 HH12 ARG 31 -9.397 -3.806 10.639 260 1HH2 ARG 31 HH21 ARG 31 -11.702 -6.425 11.038 261 2HH2 ARG 31 HH22 ARG 31 -11.226 -4.838 11.573 262 H ASN 32 HN ASN 32 -11.732 -10.877 7.450 263 HA ASN 32 HA ASN 32 -13.798 -11.690 6.977 264 1HB ASN 32 HB2 ASN 32 -13.970 -9.257 6.154 265 2HB ASN 32 HB1 ASN 32 -13.796 -9.921 4.535 266 1HD2 ASN 32 HD21 ASN 32 -16.023 -8.499 5.784 267 2HD2 ASN 32 HD22 ASN 32 -17.395 -9.541 5.628 268 H ASN 33 HN ASN 33 -12.229 -13.556 6.399 269 HA ASN 33 HA ASN 33 -11.853 -15.432 5.184 270 1HB ASN 33 HB2 ASN 33 -14.158 -14.417 3.510 271 2HB ASN 33 HB1 ASN 33 -13.396 -15.989 3.291 272 1HD2 ASN 33 HD21 ASN 33 -15.469 -14.059 5.270 273 2HD2 ASN 33 HD22 ASN 33 -16.036 -15.341 6.288 274 H GLY 34 HN GLY 34 -10.918 -12.563 4.327 275 1HA GLY 34 HA2 GLY 34 -9.014 -12.134 3.025 276 2HA GLY 34 HA1 GLY 34 -9.342 -13.591 2.102 277 H LYS 35 HN LYS 35 -11.950 -11.396 2.656 278 HA LYS 35 HA LYS 35 -11.988 -10.861 -0.214 279 1HB LYS 35 HB2 LYS 35 -14.141 -10.274 1.822 280 2HB LYS 35 HB1 LYS 35 -14.310 -10.268 0.071 281 1HG LYS 35 HG2 LYS 35 -13.821 -12.650 1.846 282 2HG LYS 35 HG1 LYS 35 -15.279 -12.280 0.923 283 1HD LYS 35 HD2 LYS 35 -14.177 -12.668 -1.142 284 2HD LYS 35 HD1 LYS 35 -12.593 -12.708 -0.368 285 1HE LYS 35 HE2 LYS 35 -13.324 -14.953 -0.941 286 2HE LYS 35 HE1 LYS 35 -13.218 -14.757 0.808 287 1HZ LYS 35 HZ1 LYS 35 -15.753 -14.487 -0.711 288 2HZ LYS 35 HZ2 LYS 35 -15.564 -14.603 0.971 289 3HZ LYS 35 HZ3 LYS 35 -15.235 -15.944 -0.014 290 H VAL 36 HN VAL 36 -11.174 -9.307 2.699 291 HA VAL 36 HA VAL 36 -11.055 -6.745 1.253 292 HB VAL 36 HB VAL 36 -11.674 -7.185 4.182 293 1HG1 VAL 36 HG11 VAL 36 -10.145 -5.306 3.962 294 2HG1 VAL 36 HG12 VAL 36 -11.765 -4.725 4.353 295 3HG1 VAL 36 HG13 VAL 36 -11.158 -4.601 2.702 296 1HG2 VAL 36 HG21 VAL 36 -13.740 -5.957 3.647 297 2HG2 VAL 36 HG22 VAL 36 -13.594 -7.452 2.722 298 3HG2 VAL 36 HG23 VAL 36 -13.253 -5.902 1.953 299 H MET 37 HN MET 37 -9.021 -6.057 0.964 300 HA MET 37 HA MET 37 -6.904 -7.286 2.548 301 1HB MET 37 HB2 MET 37 -6.866 -5.534 0.090 302 2HB MET 37 HB1 MET 37 -5.401 -5.929 0.982 303 1HG MET 37 HG2 MET 37 -5.980 -8.354 0.628 304 2HG MET 37 HG1 MET 37 -7.238 -7.805 -0.477 305 1HE MET 37 HE1 MET 37 -4.922 -9.840 -1.307 306 2HE MET 37 HE2 MET 37 -4.473 -9.206 -2.891 307 3HE MET 37 HE3 MET 37 -6.173 -9.291 -2.426 308 H ASP 38 HN ASP 38 -6.439 -6.424 4.395 309 HA ASP 38 HA ASP 38 -6.807 -3.581 4.860 310 1HB ASP 38 HB2 ASP 38 -7.443 -5.409 6.500 311 2HB ASP 38 HB1 ASP 38 -5.723 -5.677 6.747 312 H LEU 39 HN LEU 39 -5.271 -2.352 4.077 313 HA LEU 39 HA LEU 39 -2.533 -3.251 3.861 314 1HB LEU 39 HB2 LEU 39 -3.994 -0.744 3.068 315 2HB LEU 39 HB1 LEU 39 -2.241 -0.800 3.048 316 HG LEU 39 HG LEU 39 -2.227 -2.473 1.352 317 1HD1 LEU 39 HD11 LEU 39 -4.109 -3.823 2.108 318 2HD1 LEU 39 HD12 LEU 39 -4.239 -3.433 0.393 319 3HD1 LEU 39 HD13 LEU 39 -5.225 -2.567 1.573 320 1HD2 LEU 39 HD21 LEU 39 -4.277 -0.366 0.704 321 2HD2 LEU 39 HD22 LEU 39 -3.354 -1.303 -0.471 322 3HD2 LEU 39 HD23 LEU 39 -2.527 -0.177 0.606 323 H VAL 40 HN VAL 40 -1.420 -3.325 5.651 324 HA VAL 40 HA VAL 40 -1.914 -1.276 7.698 325 HB VAL 40 HB VAL 40 -1.260 -4.204 7.927 326 1HG1 VAL 40 HG11 VAL 40 0.287 -3.046 9.409 327 2HG1 VAL 40 HG12 VAL 40 -0.947 -3.910 10.327 328 3HG1 VAL 40 HG13 VAL 40 -1.056 -2.159 10.132 329 1HG2 VAL 40 HG21 VAL 40 -3.607 -3.550 7.803 330 2HG2 VAL 40 HG22 VAL 40 -3.382 -2.465 9.175 331 3HG2 VAL 40 HG23 VAL 40 -3.213 -4.207 9.391 332 H HIS 41 HN HIS 41 -0.309 0.148 7.766 333 HA HIS 41 HA HIS 41 1.703 0.894 8.507 334 1HB HIS 41 HB2 HIS 41 1.900 -1.344 9.677 335 2HB HIS 41 HB1 HIS 41 2.779 -1.911 8.271 336 HD1 HIS 41 HD1 HIS 41 4.238 -2.109 10.813 337 HD2 HIS 41 HD2 HIS 41 4.346 1.359 8.509 338 HE1 HIS 41 HE1 HIS 41 6.312 -0.884 11.525 339 HE2 HIS 41 HE2 HIS 41 6.203 1.322 10.318 340 H THR 42 HN THR 42 2.052 2.147 6.761 341 HA THR 42 HA THR 42 3.794 1.069 4.666 342 HB THR 42 HB THR 42 2.063 2.650 3.895 343 HG1 THR 42 HG1 THR 42 3.530 3.233 2.520 344 1HG2 THR 42 HG21 THR 42 1.775 3.952 5.933 345 2HG2 THR 42 HG22 THR 42 2.154 5.014 4.578 346 3HG2 THR 42 HG23 THR 42 3.403 4.613 5.762 347 H TYR 43 HN TYR 43 5.973 1.358 4.749 348 HA TYR 43 HA TYR 43 6.979 3.524 6.418 349 1HB TYR 43 HB2 TYR 43 6.994 1.222 7.642 350 2HB TYR 43 HB1 TYR 43 8.363 0.868 6.586 351 HD1 TYR 43 HD1 TYR 43 7.215 3.833 8.527 352 HD2 TYR 43 HD2 TYR 43 10.403 1.156 7.655 353 HE1 TYR 43 HE1 TYR 43 8.672 5.104 10.026 354 HE2 TYR 43 HE2 TYR 43 11.880 2.418 9.169 355 HH TYR 43 HH TYR 43 10.690 4.781 11.337 356 H VAL 44 HN VAL 44 9.033 4.265 5.839 357 HA VAL 44 HA VAL 44 10.354 3.160 3.510 358 HB VAL 44 HB VAL 44 8.572 4.496 2.482 359 1HG1 VAL 44 HG11 VAL 44 8.522 6.936 2.724 360 2HG1 VAL 44 HG12 VAL 44 9.743 6.823 3.991 361 3HG1 VAL 44 HG13 VAL 44 8.152 6.103 4.234 362 1HG2 VAL 44 HG21 VAL 44 10.661 4.344 1.300 363 2HG2 VAL 44 HG22 VAL 44 11.306 5.717 2.199 364 3HG2 VAL 44 HG23 VAL 44 9.969 5.950 1.071 365 HA PRO 45 HA PRO 45 13.745 4.912 5.828 366 1HB PRO 45 HB2 PRO 45 15.693 4.701 3.963 367 2HB PRO 45 HB1 PRO 45 15.054 3.299 4.830 368 1HG PRO 45 HG2 PRO 45 14.357 4.312 2.096 369 2HG PRO 45 HG1 PRO 45 14.690 2.648 2.618 370 1HD PRO 45 HD2 PRO 45 12.178 3.566 2.287 371 2HD PRO 45 HD1 PRO 45 12.588 2.387 3.549 372 H SER 46 HN SER 46 15.481 6.605 5.553 373 HA SER 46 HA SER 46 14.275 9.046 4.833 374 1HB SER 46 HB2 SER 46 17.200 8.497 5.361 375 2HB SER 46 HB1 SER 46 16.391 10.060 5.462 376 HG SER 46 HG SER 46 16.188 7.824 7.165 377 H PHE 47 HN PHE 47 15.897 6.768 2.934 378 HA PHE 47 HA PHE 47 17.092 8.451 0.996 379 1HB PHE 47 HB2 PHE 47 16.078 5.614 0.761 380 2HB PHE 47 HB1 PHE 47 17.097 6.420 -0.425 381 HD1 PHE 47 HD1 PHE 47 16.981 4.649 2.714 382 HD2 PHE 47 HD2 PHE 47 19.427 7.036 0.177 383 HE1 PHE 47 HE1 PHE 47 18.978 3.884 3.926 384 HE2 PHE 47 HE2 PHE 47 21.431 6.272 1.385 385 HZ PHE 47 HZ PHE 47 21.206 4.695 3.263 386 H LYS 48 HN LYS 48 13.857 7.176 1.427 387 HA LYS 48 HA LYS 48 12.971 8.658 -0.953 388 1HB LYS 48 HB2 LYS 48 12.448 5.764 -0.298 389 2HB LYS 48 HB1 LYS 48 11.360 6.678 -1.331 390 1HG LYS 48 HG2 LYS 48 13.046 6.998 -2.971 391 2HG LYS 48 HG1 LYS 48 14.303 6.391 -1.891 392 1HD LYS 48 HD2 LYS 48 11.970 4.680 -2.701 393 2HD LYS 48 HD1 LYS 48 13.408 4.812 -3.714 394 1HE LYS 48 HE2 LYS 48 13.630 4.130 -0.804 395 2HE LYS 48 HE1 LYS 48 13.265 2.880 -1.992 396 1HZ LYS 48 HZ1 LYS 48 15.669 3.124 -1.476 397 2HZ LYS 48 HZ2 LYS 48 15.626 4.683 -2.151 398 3HZ LYS 48 HZ3 LYS 48 15.307 3.333 -3.122 399 H ARG 49 HN ARG 49 12.826 8.973 2.046 400 HA ARG 49 HA ARG 49 10.180 8.490 2.900 401 1HB ARG 49 HB2 ARG 49 10.702 10.087 4.730 402 2HB ARG 49 HB1 ARG 49 11.903 8.820 4.540 403 1HG ARG 49 HG2 ARG 49 13.428 10.328 3.484 404 2HG ARG 49 HG1 ARG 49 12.200 11.597 3.423 405 1HD ARG 49 HD2 ARG 49 13.381 10.399 5.928 406 2HD ARG 49 HD1 ARG 49 13.794 11.970 5.245 407 HE ARG 49 HE ARG 49 10.983 11.613 5.828 408 1HH1 ARG 49 HH11 ARG 49 14.088 12.693 7.058 409 2HH1 ARG 49 HH12 ARG 49 13.388 13.699 8.288 410 1HH2 ARG 49 HH21 ARG 49 10.068 12.930 7.429 411 2HH2 ARG 49 HH22 ARG 49 11.091 13.854 8.494 412 H GLY 50 HN GLY 50 8.389 9.402 2.237 413 1HA GLY 50 HA2 GLY 50 6.875 10.977 1.561 414 2HA GLY 50 HA1 GLY 50 8.035 12.212 2.028 415 H LEU 51 HN LEU 51 9.291 9.963 -0.151 416 HA LEU 51 HA LEU 51 9.314 11.909 -2.278 417 1HB LEU 51 HB2 LEU 51 11.297 10.558 -1.771 418 2HB LEU 51 HB1 LEU 51 10.396 9.093 -2.104 419 HG LEU 51 HG LEU 51 10.695 11.119 -4.281 420 1HD1 LEU 51 HD11 LEU 51 12.806 10.069 -4.944 421 2HD1 LEU 51 HD12 LEU 51 12.797 9.114 -3.461 422 3HD1 LEU 51 HD13 LEU 51 12.947 10.870 -3.380 423 1HD2 LEU 51 HD21 LEU 51 10.660 9.106 -5.663 424 2HD2 LEU 51 HD22 LEU 51 9.253 9.173 -4.598 425 3HD2 LEU 51 HD23 LEU 51 10.601 8.105 -4.211 426 H GLY 52 HN GLY 52 7.593 9.010 -1.412 427 1HA GLY 52 HA2 GLY 52 5.362 9.042 -2.727 428 2HA GLY 52 HA1 GLY 52 6.439 8.855 -4.104 429 H LEU 53 HN LEU 53 8.261 7.146 -2.442 430 HA LEU 53 HA LEU 53 7.422 4.698 -3.425 431 1HB LEU 53 HB2 LEU 53 9.709 4.986 -2.791 432 2HB LEU 53 HB1 LEU 53 9.261 5.260 -1.116 433 HG LEU 53 HG LEU 53 8.199 2.913 -1.237 434 1HD1 LEU 53 HD11 LEU 53 10.053 2.773 -3.590 435 2HD1 LEU 53 HD12 LEU 53 8.302 2.537 -3.576 436 3HD1 LEU 53 HD13 LEU 53 9.354 1.379 -2.764 437 1HD2 LEU 53 HD21 LEU 53 9.960 3.288 0.204 438 2HD2 LEU 53 HD22 LEU 53 11.131 3.448 -1.114 439 3HD2 LEU 53 HD23 LEU 53 10.416 1.875 -0.750 440 H ALA 54 HN ALA 54 7.024 5.971 -0.137 441 HA ALA 54 HA ALA 54 6.146 3.660 1.081 442 1HB ALA 54 HB1 ALA 54 5.274 6.501 1.650 443 2HB ALA 54 HB2 ALA 54 6.693 5.690 2.315 444 3HB ALA 54 HB3 ALA 54 5.076 5.130 2.744 445 H SER 55 HN SER 55 4.337 6.110 -0.679 446 HA SER 55 HA SER 55 1.792 4.924 -0.501 447 1HB SER 55 HB2 SER 55 2.769 6.696 -2.741 448 2HB SER 55 HB1 SER 55 1.130 6.550 -2.105 449 HG SER 55 HG SER 55 1.610 7.909 -0.571 450 H HIS 56 HN HIS 56 4.472 4.553 -2.770 451 HA HIS 56 HA HIS 56 3.155 3.059 -4.745 452 1HB HIS 56 HB2 HIS 56 5.971 3.448 -3.950 453 2HB HIS 56 HB1 HIS 56 5.624 1.977 -4.847 454 HD1 HIS 56 HD1 HIS 56 5.411 2.170 -7.315 455 HD2 HIS 56 HD2 HIS 56 5.243 5.869 -5.418 456 HE1 HIS 56 HE1 HIS 56 5.501 3.883 -9.156 457 HE2 HIS 56 HE2 HIS 56 5.173 6.098 -7.999 458 H LEU 57 HN LEU 57 4.494 2.156 -1.654 459 HA LEU 57 HA LEU 57 4.301 -0.656 -1.962 460 1HB LEU 57 HB2 LEU 57 4.119 1.012 0.554 461 2HB LEU 57 HB1 LEU 57 4.412 -0.715 0.491 462 HG LEU 57 HG LEU 57 6.272 1.321 -0.728 463 1HD1 LEU 57 HD11 LEU 57 6.424 -0.004 1.974 464 2HD1 LEU 57 HD12 LEU 57 6.116 1.706 1.666 465 3HD1 LEU 57 HD13 LEU 57 7.677 1.002 1.242 466 1HD2 LEU 57 HD21 LEU 57 6.450 -0.930 -1.650 467 2HD2 LEU 57 HD22 LEU 57 6.627 -1.593 -0.026 468 3HD2 LEU 57 HD23 LEU 57 7.872 -0.531 -0.685 469 H CYS 58 HN CYS 58 2.134 1.834 -0.731 470 HA CYS 58 HA CYS 58 -0.028 0.139 -0.059 471 1HB CYS 58 HB2 CYS 58 0.132 2.490 0.689 472 2HB CYS 58 HB1 CYS 58 -0.104 3.026 -0.977 473 HG CYS 58 HG CYS 58 -2.665 1.331 -0.732 474 H VAL 59 HN VAL 59 0.870 1.787 -3.035 475 HA VAL 59 HA VAL 59 -1.347 1.069 -4.595 476 HB VAL 59 HB VAL 59 1.511 1.623 -5.398 477 1HG1 VAL 59 HG11 VAL 59 -0.935 1.412 -7.156 478 2HG1 VAL 59 HG12 VAL 59 0.438 0.304 -7.143 479 3HG1 VAL 59 HG13 VAL 59 0.655 1.971 -7.675 480 1HG2 VAL 59 HG21 VAL 59 0.619 3.806 -6.066 481 2HG2 VAL 59 HG22 VAL 59 0.386 3.496 -4.345 482 3HG2 VAL 59 HG23 VAL 59 -0.969 3.333 -5.463 483 H ALA 60 HN ALA 60 1.616 -0.674 -3.817 484 HA ALA 60 HA ALA 60 1.387 -2.761 -5.669 485 1HB ALA 60 HB1 ALA 60 2.551 -2.869 -2.891 486 2HB ALA 60 HB2 ALA 60 3.403 -2.368 -4.352 487 3HB ALA 60 HB3 ALA 60 2.844 -4.032 -4.184 488 H ALA 61 HN ALA 61 -0.095 -2.368 -2.459 489 HA ALA 61 HA ALA 61 -1.317 -4.952 -2.540 490 1HB ALA 61 HB1 ALA 61 -2.590 -4.202 -0.617 491 2HB ALA 61 HB2 ALA 61 -2.067 -2.541 -0.899 492 3HB ALA 61 HB3 ALA 61 -0.889 -3.770 -0.439 493 H PHE 62 HN PHE 62 -2.289 -1.679 -3.441 494 HA PHE 62 HA PHE 62 -4.948 -2.172 -4.140 495 1HB PHE 62 HB2 PHE 62 -2.917 -0.257 -5.278 496 2HB PHE 62 HB1 PHE 62 -4.572 -0.322 -5.865 497 HD1 PHE 62 HD1 PHE 62 -6.047 -0.688 -3.337 498 HD2 PHE 62 HD2 PHE 62 -2.751 1.829 -4.284 499 HE1 PHE 62 HE1 PHE 62 -6.763 0.905 -1.596 500 HE2 PHE 62 HE2 PHE 62 -3.461 3.433 -2.548 501 HZ PHE 62 HZ PHE 62 -5.467 2.960 -1.198 502 H GLU 63 HN GLU 63 -2.019 -2.369 -6.117 503 HA GLU 63 HA GLU 63 -3.092 -3.181 -8.532 504 1HB GLU 63 HB2 GLU 63 -0.484 -3.903 -7.197 505 2HB GLU 63 HB1 GLU 63 -0.865 -4.355 -8.851 506 1HG GLU 63 HG2 GLU 63 -0.872 -1.513 -7.877 507 2HG GLU 63 HG1 GLU 63 0.546 -2.305 -8.570 508 H HIS 64 HN HIS 64 -2.380 -5.073 -5.670 509 HA HIS 64 HA HIS 64 -2.692 -7.600 -6.983 510 1HB HIS 64 HB2 HIS 64 -1.230 -7.179 -4.982 511 2HB HIS 64 HB1 HIS 64 -2.692 -7.033 -4.016 512 HD1 HIS 64 HD1 HIS 64 -1.592 -9.130 -2.687 513 HD2 HIS 64 HD2 HIS 64 -2.905 -9.896 -6.559 514 HE1 HIS 64 HE1 HIS 64 -1.757 -11.629 -2.867 515 HE2 HIS 64 HE2 HIS 64 -2.510 -12.080 -5.227 516 H ALA 65 HN ALA 65 -4.656 -5.655 -4.757 517 HA ALA 65 HA ALA 65 -6.756 -7.579 -4.618 518 1HB ALA 65 HB1 ALA 65 -6.841 -4.653 -3.924 519 2HB ALA 65 HB2 ALA 65 -6.328 -5.945 -2.837 520 3HB ALA 65 HB3 ALA 65 -7.994 -5.889 -3.420 521 H SER 66 HN SER 66 -6.415 -4.455 -6.310 522 HA SER 66 HA SER 66 -8.899 -4.324 -7.501 523 1HB SER 66 HB2 SER 66 -7.300 -2.490 -7.636 524 2HB SER 66 HB1 SER 66 -6.230 -3.458 -8.647 525 HG SER 66 HG SER 66 -8.769 -2.363 -9.287 526 H SER 67 HN SER 67 -6.022 -6.036 -8.737 527 HA SER 67 HA SER 67 -7.217 -6.804 -11.180 528 1HB SER 67 HB2 SER 67 -5.340 -8.540 -11.184 529 2HB SER 67 HB1 SER 67 -4.856 -6.845 -11.095 530 HG SER 67 HG SER 67 -4.137 -7.133 -9.122 531 H HIS 68 HN HIS 68 -7.237 -8.215 -7.980 532 HA HIS 68 HA HIS 68 -8.510 -10.658 -8.955 533 1HB HIS 68 HB2 HIS 68 -6.723 -10.429 -7.048 534 2HB HIS 68 HB1 HIS 68 -8.112 -10.005 -6.056 535 HD1 HIS 68 HD1 HIS 68 -6.335 -12.825 -7.543 536 HD2 HIS 68 HD2 HIS 68 -10.034 -12.154 -5.780 537 HE1 HIS 68 HE1 HIS 68 -7.244 -15.109 -6.977 538 HE2 HIS 68 HE2 HIS 68 -9.551 -14.681 -6.047 539 H SER 69 HN SER 69 -9.539 -7.676 -8.486 540 HA SER 69 HA SER 69 -11.507 -6.627 -8.047 541 1HB SER 69 HB2 SER 69 -12.688 -9.409 -8.243 542 2HB SER 69 HB1 SER 69 -13.576 -7.891 -8.372 543 HG SER 69 HG SER 69 -12.794 -7.567 -10.344 544 H ILE 70 HN ILE 70 -9.948 -7.178 -5.865 545 HA ILE 70 HA ILE 70 -11.753 -8.124 -3.752 546 HB ILE 70 HB ILE 70 -8.758 -7.621 -3.711 547 1HG1 ILE 70 HG12 ILE 70 -10.371 -10.185 -3.682 548 2HG1 ILE 70 HG11 ILE 70 -9.388 -9.590 -5.016 549 1HG2 ILE 70 HG21 ILE 70 -8.785 -8.716 -1.503 550 2HG2 ILE 70 HG22 ILE 70 -10.549 -8.726 -1.547 551 3HG2 ILE 70 HG23 ILE 70 -9.677 -7.194 -1.513 552 1HD1 ILE 70 HD11 ILE 70 -8.390 -10.467 -2.314 553 2HD1 ILE 70 HD12 ILE 70 -7.388 -9.819 -3.612 554 3HD1 ILE 70 HD13 ILE 70 -8.235 -11.349 -3.834 555 H SER 71 HN SER 71 -12.006 -6.863 -1.812 556 HA SER 71 HA SER 71 -11.913 -3.989 -2.304 557 1HB SER 71 HB2 SER 71 -14.006 -5.059 -1.443 558 2HB SER 71 HB1 SER 71 -13.133 -5.530 0.012 559 HG SER 71 HG SER 71 -13.275 -2.831 -0.827 560 H ILE 72 HN ILE 72 -11.096 -2.568 -0.538 561 HA ILE 72 HA ILE 72 -8.911 -3.823 0.979 562 HB ILE 72 HB ILE 72 -8.632 -1.566 -1.017 563 1HG1 ILE 72 HG12 ILE 72 -7.387 -4.285 -0.685 564 2HG1 ILE 72 HG11 ILE 72 -8.245 -3.628 -2.079 565 1HG2 ILE 72 HG21 ILE 72 -7.516 -0.796 0.977 566 2HG2 ILE 72 HG22 ILE 72 -6.324 -1.246 -0.243 567 3HG2 ILE 72 HG23 ILE 72 -6.646 -2.326 1.115 568 1HD1 ILE 72 HD11 ILE 72 -5.530 -2.746 -1.118 569 2HD1 ILE 72 HD12 ILE 72 -6.394 -2.114 -2.518 570 3HD1 ILE 72 HD13 ILE 72 -5.854 -3.792 -2.501 571 H ILE 73 HN ILE 73 -8.224 -2.698 2.774 572 HA ILE 73 HA ILE 73 -9.526 -0.153 3.490 573 HB ILE 73 HB ILE 73 -9.216 -2.613 5.247 574 1HG1 ILE 73 HG12 ILE 73 -11.286 -2.462 3.918 575 2HG1 ILE 73 HG11 ILE 73 -11.601 -2.362 5.648 576 1HG2 ILE 73 HG21 ILE 73 -8.382 -0.725 6.508 577 2HG2 ILE 73 HG22 ILE 73 -9.954 -1.224 7.142 578 3HG2 ILE 73 HG23 ILE 73 -9.832 0.207 6.119 579 1HD1 ILE 73 HD11 ILE 73 -11.510 -0.031 3.747 580 2HD1 ILE 73 HD12 ILE 73 -11.866 0.044 5.473 581 3HD1 ILE 73 HD13 ILE 73 -12.967 -0.795 4.382 582 HA PRO 74 HA PRO 74 -5.100 0.260 4.037 583 1HB PRO 74 HB2 PRO 74 -5.097 2.975 3.505 584 2HB PRO 74 HB1 PRO 74 -4.987 1.696 2.296 585 1HG PRO 74 HG2 PRO 74 -7.140 3.535 2.725 586 2HG PRO 74 HG1 PRO 74 -7.031 2.245 1.517 587 1HD PRO 74 HD2 PRO 74 -8.438 2.276 4.112 588 2HD PRO 74 HD1 PRO 74 -8.723 1.262 2.681 589 H SER 75 HN SER 75 -4.769 -0.021 6.214 590 HA SER 75 HA SER 75 -5.242 2.052 8.145 591 1HB SER 75 HB2 SER 75 -3.353 -0.323 8.221 592 2HB SER 75 HB1 SER 75 -3.813 0.671 9.606 593 HG SER 75 HG SER 75 -5.344 -1.198 8.142 594 H CYS 76 HN CYS 76 -2.935 1.317 5.768 595 HA CYS 76 HA CYS 76 -0.820 3.031 6.434 596 1HB CYS 76 HB2 CYS 76 -1.744 2.338 3.646 597 2HB CYS 76 HB1 CYS 76 -0.147 2.871 4.139 598 HG CYS 76 HG CYS 76 0.802 0.576 4.826 599 H SER 77 HN SER 77 -3.583 4.152 6.737 600 HA SER 77 HA SER 77 -4.556 5.714 4.733 601 1HB SER 77 HB2 SER 77 -4.760 6.718 7.530 602 2HB SER 77 HB1 SER 77 -6.018 6.514 6.311 603 HG SER 77 HG SER 77 -5.812 4.226 6.632 604 H TYR 78 HN TYR 78 -1.653 6.490 6.514 605 HA TYR 78 HA TYR 78 -1.507 9.236 6.025 606 1HB TYR 78 HB2 TYR 78 0.489 8.694 6.976 607 2HB TYR 78 HB1 TYR 78 0.417 7.041 6.379 608 HD1 TYR 78 HD1 TYR 78 1.395 10.504 5.452 609 HD2 TYR 78 HD2 TYR 78 1.665 6.370 4.490 610 HE1 TYR 78 HE1 TYR 78 3.130 11.004 3.784 611 HE2 TYR 78 HE2 TYR 78 3.392 6.850 2.808 612 HH TYR 78 HH TYR 78 4.875 9.994 2.582 613 H VAL 79 HN VAL 79 -0.811 6.495 3.911 614 HA VAL 79 HA VAL 79 -0.292 7.962 1.548 615 HB VAL 79 HB VAL 79 -1.385 5.156 1.859 616 1HG1 VAL 79 HG11 VAL 79 -0.088 6.479 -0.519 617 2HG1 VAL 79 HG12 VAL 79 -1.788 6.036 -0.369 618 3HG1 VAL 79 HG13 VAL 79 -0.550 4.780 -0.409 619 1HG2 VAL 79 HG21 VAL 79 0.756 5.407 2.979 620 2HG2 VAL 79 HG22 VAL 79 1.458 6.105 1.519 621 3HG2 VAL 79 HG23 VAL 79 0.929 4.423 1.526 622 H SER 80 HN SER 80 -3.154 6.404 2.877 623 HA SER 80 HA SER 80 -4.876 6.750 0.720 624 1HB SER 80 HB2 SER 80 -5.733 6.880 3.606 625 2HB SER 80 HB1 SER 80 -6.620 6.208 2.235 626 HG SER 80 HG SER 80 -5.113 4.546 2.118 627 H ASP 81 HN ASP 81 -4.078 8.922 3.339 628 HA ASP 81 HA ASP 81 -6.248 10.714 2.902 629 1HB ASP 81 HB2 ASP 81 -5.282 10.557 5.094 630 2HB ASP 81 HB1 ASP 81 -3.677 10.943 4.489 631 H THR 82 HN THR 82 -2.763 10.862 2.083 632 HA THR 82 HA THR 82 -3.247 13.345 0.643 633 HB THR 82 HB THR 82 -1.246 13.338 1.973 634 HG1 THR 82 HG1 THR 82 -1.291 14.280 -0.269 635 1HG2 THR 82 HG21 THR 82 -0.756 10.953 2.030 636 2HG2 THR 82 HG22 THR 82 0.657 11.857 1.482 637 3HG2 THR 82 HG23 THR 82 -0.336 10.981 0.317 638 H PHE 83 HN PHE 83 -2.143 10.054 -0.084 639 HA PHE 83 HA PHE 83 -1.495 10.659 -2.794 640 1HB PHE 83 HB2 PHE 83 -0.503 8.853 -1.289 641 2HB PHE 83 HB1 PHE 83 -1.933 7.907 -1.675 642 HD1 PHE 83 HD1 PHE 83 -1.686 6.365 -3.329 643 HD2 PHE 83 HD2 PHE 83 0.579 9.960 -3.525 644 HE1 PHE 83 HE1 PHE 83 -0.648 5.593 -5.421 645 HE2 PHE 83 HE2 PHE 83 1.629 9.188 -5.616 646 HZ PHE 83 HZ PHE 83 1.015 7.004 -6.563 647 H LEU 84 HN LEU 84 -4.261 9.134 -1.217 648 HA LEU 84 HA LEU 84 -5.306 8.133 -3.668 649 1HB LEU 84 HB2 LEU 84 -6.438 8.364 -0.913 650 2HB LEU 84 HB1 LEU 84 -7.436 7.852 -2.263 651 HG LEU 84 HG LEU 84 -4.866 6.493 -1.439 652 1HD1 LEU 84 HD11 LEU 84 -7.720 5.663 -0.952 653 2HD1 LEU 84 HD12 LEU 84 -6.570 6.199 0.274 654 3HD1 LEU 84 HD13 LEU 84 -6.287 4.695 -0.604 655 1HD2 LEU 84 HD21 LEU 84 -5.426 6.278 -3.809 656 2HD2 LEU 84 HD22 LEU 84 -7.023 5.671 -3.374 657 3HD2 LEU 84 HD23 LEU 84 -5.582 4.742 -2.958 658 HA PRO 85 HA PRO 85 -8.056 12.138 -3.692 659 1HB PRO 85 HB2 PRO 85 -6.098 14.021 -2.529 660 2HB PRO 85 HB1 PRO 85 -7.853 13.967 -2.339 661 1HG PRO 85 HG2 PRO 85 -6.204 13.243 -0.359 662 2HG PRO 85 HG1 PRO 85 -7.757 12.432 -0.628 663 1HD PRO 85 HD2 PRO 85 -4.991 11.508 -1.301 664 2HD PRO 85 HD1 PRO 85 -6.388 10.577 -0.718 665 H ARG 86 HN ARG 86 -4.592 11.887 -3.786 666 HA ARG 86 HA ARG 86 -4.198 13.615 -6.040 667 1HB ARG 86 HB2 ARG 86 -2.428 13.281 -4.425 668 2HB ARG 86 HB1 ARG 86 -2.442 11.546 -4.701 669 1HG ARG 86 HG2 ARG 86 -1.504 11.816 -6.880 670 2HG ARG 86 HG1 ARG 86 -1.690 13.572 -6.796 671 1HD ARG 86 HD2 ARG 86 -0.030 13.774 -5.139 672 2HD ARG 86 HD1 ARG 86 -0.053 12.047 -4.793 673 HE ARG 86 HE ARG 86 0.748 12.159 -7.385 674 1HH1 ARG 86 HH11 ARG 86 1.840 13.799 -4.484 675 2HH1 ARG 86 HH12 ARG 86 3.518 13.786 -4.948 676 1HH2 ARG 86 HH21 ARG 86 2.952 12.142 -8.006 677 2HH2 ARG 86 HH22 ARG 86 4.155 12.827 -6.954 678 H ASN 87 HN ASN 87 -4.401 10.104 -5.552 679 HA ASN 87 HA ASN 87 -5.126 9.841 -8.391 680 1HB ASN 87 HB2 ASN 87 -3.277 7.996 -6.857 681 2HB ASN 87 HB1 ASN 87 -3.972 7.616 -8.430 682 1HD2 ASN 87 HD21 ASN 87 -1.598 9.411 -6.713 683 2HD2 ASN 87 HD22 ASN 87 -0.765 10.044 -8.093 684 HA PRO 88 HA PRO 88 -8.357 8.006 -5.720 685 1HB PRO 88 HB2 PRO 88 -10.336 9.062 -7.497 686 2HB PRO 88 HB1 PRO 88 -9.917 9.629 -5.883 687 1HG PRO 88 HG2 PRO 88 -9.484 11.036 -8.224 688 2HG PRO 88 HG1 PRO 88 -8.653 11.331 -6.687 689 1HD PRO 88 HD2 PRO 88 -7.710 9.849 -9.101 690 2HD PRO 88 HD1 PRO 88 -6.802 10.875 -7.973 691 H SER 89 HN SER 89 -6.982 6.432 -7.585 692 HA SER 89 HA SER 89 -9.015 5.362 -9.403 693 1HB SER 89 HB2 SER 89 -6.983 4.063 -10.284 694 2HB SER 89 HB1 SER 89 -6.986 5.808 -10.533 695 HG SER 89 HG SER 89 -5.567 4.330 -8.568 696 H TRP 90 HN TRP 90 -8.511 4.899 -6.334 697 HA TRP 90 HA TRP 90 -8.670 1.964 -6.484 698 1HB TRP 90 HB2 TRP 90 -7.292 3.424 -4.237 699 2HB TRP 90 HB1 TRP 90 -7.220 1.710 -4.628 700 HD1 TRP 90 HD1 TRP 90 -5.304 4.825 -5.063 701 HE1 TRP 90 HE1 TRP 90 -3.410 4.513 -6.776 702 HE3 TRP 90 HE3 TRP 90 -6.789 0.381 -7.116 703 HZ2 TRP 90 HZ2 TRP 90 -2.654 2.638 -8.743 704 HZ3 TRP 90 HZ3 TRP 90 -5.427 -0.598 -8.916 705 HH2 TRP 90 HH2 TRP 90 -3.402 0.511 -9.711 706 H LYS 91 HN LYS 91 -10.288 4.576 -6.030 707 HA LYS 91 HA LYS 91 -11.581 4.493 -3.573 708 1HB LYS 91 HB2 LYS 91 -11.661 6.277 -5.360 709 2HB LYS 91 HB1 LYS 91 -12.803 5.264 -6.223 710 1HG LYS 91 HG2 LYS 91 -14.433 5.504 -4.516 711 2HG LYS 91 HG1 LYS 91 -13.271 6.274 -3.430 712 1HD LYS 91 HD2 LYS 91 -13.041 8.126 -5.063 713 2HD LYS 91 HD1 LYS 91 -14.296 7.373 -6.049 714 1HE LYS 91 HE2 LYS 91 -15.920 7.677 -4.300 715 2HE LYS 91 HE1 LYS 91 -14.676 8.261 -3.190 716 1HZ LYS 91 HZ1 LYS 91 -15.965 10.073 -4.164 717 2HZ LYS 91 HZ2 LYS 91 -15.469 9.604 -5.715 718 3HZ LYS 91 HZ3 LYS 91 -14.327 10.167 -4.597 719 HA PRO 92 HA PRO 92 -14.722 1.361 -5.801 720 1HB PRO 92 HB2 PRO 92 -12.669 -0.046 -7.413 721 2HB PRO 92 HB1 PRO 92 -14.370 0.262 -7.778 722 1HG PRO 92 HG2 PRO 92 -12.463 1.661 -8.977 723 2HG PRO 92 HG1 PRO 92 -13.966 2.444 -8.452 724 1HD PRO 92 HD2 PRO 92 -11.252 2.512 -7.199 725 2HD PRO 92 HD1 PRO 92 -12.455 3.808 -7.356 726 H LEU 93 HN LEU 93 -11.418 0.816 -4.870 727 HA LEU 93 HA LEU 93 -11.905 -1.904 -3.998 728 1HB LEU 93 HB2 LEU 93 -9.483 -0.176 -3.506 729 2HB LEU 93 HB1 LEU 93 -9.575 -1.927 -3.413 730 HG LEU 93 HG LEU 93 -9.996 -0.355 -5.943 731 1HD1 LEU 93 HD11 LEU 93 -7.741 -1.122 -6.564 732 2HD1 LEU 93 HD12 LEU 93 -7.537 -1.804 -4.950 733 3HD1 LEU 93 HD13 LEU 93 -7.709 -0.061 -5.155 734 1HD2 LEU 93 HD21 LEU 93 -9.670 -2.553 -7.003 735 2HD2 LEU 93 HD22 LEU 93 -11.076 -2.525 -5.936 736 3HD2 LEU 93 HD23 LEU 93 -9.579 -3.297 -5.403 737 H ILE 94 HN ILE 94 -10.963 1.153 -2.487 738 HA ILE 94 HA ILE 94 -11.666 0.045 0.119 739 HB ILE 94 HB ILE 94 -10.566 1.970 1.087 740 1HG1 ILE 94 HG12 ILE 94 -9.944 2.918 -1.709 741 2HG1 ILE 94 HG11 ILE 94 -11.250 3.586 -0.730 742 1HG2 ILE 94 HG21 ILE 94 -8.287 1.608 0.253 743 2HG2 ILE 94 HG22 ILE 94 -8.945 0.760 -1.146 744 3HG2 ILE 94 HG23 ILE 94 -9.162 0.093 0.472 745 1HD1 ILE 94 HD11 ILE 94 -9.247 4.949 -0.593 746 2HD1 ILE 94 HD12 ILE 94 -8.342 3.555 0.005 747 3HD1 ILE 94 HD13 ILE 94 -9.650 4.237 0.970 748 H HIS 95 HN HIS 95 -12.122 2.907 1.043 749 HA HIS 95 HA HIS 95 -14.925 2.958 0.243 750 1HB HIS 95 HB2 HIS 95 -13.489 3.902 2.703 751 2HB HIS 95 HB1 HIS 95 -15.121 4.472 2.323 752 HD1 HIS 95 HD1 HIS 95 -16.553 3.189 3.965 753 HD2 HIS 95 HD2 HIS 95 -13.806 0.747 2.020 754 HE1 HIS 95 HE1 HIS 95 -17.149 0.837 4.621 755 HE2 HIS 95 HE2 HIS 95 -15.567 -0.627 3.314 756 H SER 96 HN SER 96 -12.122 5.218 0.583 757 HA SER 96 HA SER 96 -12.738 6.240 -1.986 758 1HB SER 96 HB2 SER 96 -14.482 7.407 -0.535 759 2HB SER 96 HB1 SER 96 -13.148 8.256 0.240 760 HG SER 96 HG SER 96 -12.559 8.943 -1.966 761 H GLU 97 HN GLU 97 -11.475 8.420 0.472 762 HA GLU 97 HA GLU 97 -8.809 7.993 -0.629 763 1HB GLU 97 HB2 GLU 97 -10.096 10.326 0.752 764 2HB GLU 97 HB1 GLU 97 -8.349 10.213 0.585 765 1HG GLU 97 HG2 GLU 97 -8.986 11.541 -1.200 766 2HG GLU 97 HG1 GLU 97 -8.803 9.948 -1.922 767 H VAL 98 HN VAL 98 -8.687 9.668 2.255 768 HA VAL 98 HA VAL 98 -7.936 7.391 3.867 769 HB VAL 98 HB VAL 98 -6.891 9.643 4.101 770 1HG1 VAL 98 HG11 VAL 98 -8.860 11.012 3.736 771 2HG1 VAL 98 HG12 VAL 98 -8.091 11.426 5.269 772 3HG1 VAL 98 HG13 VAL 98 -9.555 10.442 5.254 773 1HG2 VAL 98 HG21 VAL 98 -6.699 8.077 5.935 774 2HG2 VAL 98 HG22 VAL 98 -8.254 8.603 6.580 775 3HG2 VAL 98 HG23 VAL 98 -6.886 9.714 6.563 776 H PHE 99 HN PHE 99 -10.453 7.214 2.728 777 HA PHE 99 HA PHE 99 -12.593 6.627 3.129 778 1HB PHE 99 HB2 PHE 99 -12.133 7.439 6.016 779 2HB PHE 99 HB1 PHE 99 -13.562 6.624 5.390 780 HD1 PHE 99 HD1 PHE 99 -12.904 4.413 3.962 781 HD2 PHE 99 HD2 PHE 99 -10.647 6.116 7.137 782 HE1 PHE 99 HE1 PHE 99 -11.857 2.226 4.386 783 HE2 PHE 99 HE2 PHE 99 -9.590 3.938 7.564 784 HZ PHE 99 HZ PHE 99 -10.155 1.996 6.136 785 H LYS 100 HN LYS 100 -11.728 9.402 5.103 786 HA LYS 100 HA LYS 100 -12.495 11.534 5.308 787 1HB LYS 100 HB2 LYS 100 -12.272 12.806 3.200 788 2HB LYS 100 HB1 LYS 100 -10.933 11.705 3.489 789 1HG LYS 100 HG2 LYS 100 -11.266 11.144 1.349 790 2HG LYS 100 HG1 LYS 100 -12.542 10.126 2.025 791 1HD LYS 100 HD2 LYS 100 -13.933 12.383 1.749 792 2HD LYS 100 HD1 LYS 100 -12.724 12.655 0.501 793 1HE LYS 100 HE2 LYS 100 -13.297 10.415 -0.433 794 2HE LYS 100 HE1 LYS 100 -14.645 10.362 0.702 795 1HZ LYS 100 HZ1 LYS 100 -15.436 12.472 -0.316 796 2HZ LYS 100 HZ2 LYS 100 -15.447 11.154 -1.382 797 3HZ LYS 100 HZ3 LYS 100 -14.225 12.321 -1.493 798 H SER 101 HN SER 101 -14.712 9.483 4.732 799 HA SER 101 HA SER 101 -17.016 10.984 4.536 800 1HB SER 101 HB2 SER 101 -15.790 10.216 1.893 801 2HB SER 101 HB1 SER 101 -17.551 10.317 2.061 802 HG SER 101 HG SER 101 -15.994 12.458 2.983 803 H SER 102 HN SER 102 -16.121 8.278 2.455 804 HA SER 102 HA SER 102 -16.257 6.036 2.636 805 1HB SER 102 HB2 SER 102 -15.362 6.257 4.893 806 2HB SER 102 HB1 SER 102 -16.981 6.545 5.528 807 HG SER 102 HG SER 102 -16.533 4.403 5.848 808 H ILE 103 HN ILE 103 -17.742 4.648 1.960 809 HA ILE 103 HA ILE 103 -20.562 5.245 2.507 810 HB ILE 103 HB ILE 103 -19.376 3.576 0.273 811 1HG1 ILE 103 HG12 ILE 103 -20.643 5.424 -1.093 812 2HG1 ILE 103 HG11 ILE 103 -20.474 6.365 0.384 813 1HG2 ILE 103 HG21 ILE 103 -21.504 2.668 1.006 814 2HG2 ILE 103 HG22 ILE 103 -21.668 3.416 -0.583 815 3HG2 ILE 103 HG23 ILE 103 -22.254 4.257 0.853 816 1HD1 ILE 103 HD11 ILE 103 -18.056 6.120 0.270 817 2HD1 ILE 103 HD12 ILE 103 -18.698 6.853 -1.201 818 3HD1 ILE 103 HD13 ILE 103 -18.217 5.156 -1.199 Start of MODEL 11 1 1H MET 1 HT1 MET 1 13.126 12.611 -17.378 2 2H MET 1 HT2 MET 1 14.384 12.407 -16.259 3 3H MET 1 HT3 MET 1 13.200 13.593 -15.996 4 HA MET 1 HA MET 1 11.509 11.906 -15.752 5 1HB MET 1 HB2 MET 1 12.760 10.273 -17.248 6 2HB MET 1 HB1 MET 1 13.776 9.913 -15.860 7 1HG MET 1 HG2 MET 1 12.077 8.239 -16.049 8 2HG MET 1 HG1 MET 1 11.772 9.210 -14.610 9 1HE MET 1 HE1 MET 1 9.292 8.287 -14.450 10 2HE MET 1 HE2 MET 1 9.572 7.281 -15.871 11 3HE MET 1 HE3 MET 1 8.146 8.315 -15.791 12 H ALA 2 HN ALA 2 10.953 11.581 -13.645 13 HA ALA 2 HA ALA 2 13.134 11.753 -11.666 14 1HB ALA 2 HB1 ALA 2 11.741 13.763 -11.682 15 2HB ALA 2 HB2 ALA 2 11.560 12.873 -10.169 16 3HB ALA 2 HB3 ALA 2 10.306 12.775 -11.405 17 H THR 3 HN THR 3 9.988 10.350 -12.439 18 HA THR 3 HA THR 3 9.923 8.672 -10.124 19 HB THR 3 HB THR 3 8.330 8.297 -12.662 20 HG1 THR 3 HG1 THR 3 6.781 9.665 -11.637 21 1HG2 THR 3 HG21 THR 3 7.777 7.587 -9.778 22 2HG2 THR 3 HG22 THR 3 8.174 6.456 -11.072 23 3HG2 THR 3 HG23 THR 3 6.657 7.355 -11.119 24 H GLU 4 HN GLU 4 11.865 7.503 -10.139 25 HA GLU 4 HA GLU 4 12.302 5.632 -12.320 26 1HB GLU 4 HB2 GLU 4 14.295 4.934 -11.020 27 2HB GLU 4 HB1 GLU 4 14.284 6.651 -11.391 28 1HG GLU 4 HG2 GLU 4 13.610 7.178 -9.142 29 2HG GLU 4 HG1 GLU 4 13.454 5.464 -8.755 30 HA PRO 5 HA PRO 5 9.905 2.496 -10.401 31 1HB PRO 5 HB2 PRO 5 11.362 0.484 -11.925 32 2HB PRO 5 HB1 PRO 5 9.705 1.053 -12.136 33 1HG PRO 5 HG2 PRO 5 11.676 1.584 -13.918 34 2HG PRO 5 HG1 PRO 5 10.313 2.683 -13.632 35 1HD PRO 5 HD2 PRO 5 13.118 2.829 -12.580 36 2HD PRO 5 HD1 PRO 5 12.082 4.130 -13.211 37 HA PRO 6 HA PRO 6 12.740 0.759 -7.325 38 1HB PRO 6 HB2 PRO 6 10.386 0.316 -5.715 39 2HB PRO 6 HB1 PRO 6 11.693 1.470 -5.446 40 1HG PRO 6 HG2 PRO 6 9.128 2.186 -6.086 41 2HG PRO 6 HG1 PRO 6 10.552 3.181 -6.435 42 1HD PRO 6 HD2 PRO 6 9.004 1.378 -8.259 43 2HD PRO 6 HD1 PRO 6 9.713 2.976 -8.583 44 H LYS 7 HN LYS 7 12.647 -1.368 -6.119 45 HA LYS 7 HA LYS 7 11.380 -3.360 -7.883 46 1HB LYS 7 HB2 LYS 7 14.125 -3.130 -6.774 47 2HB LYS 7 HB1 LYS 7 13.425 -4.738 -6.760 48 1HG LYS 7 HG2 LYS 7 14.825 -4.289 -8.739 49 2HG LYS 7 HG1 LYS 7 13.165 -4.713 -9.144 50 1HD LYS 7 HD2 LYS 7 14.017 -2.881 -10.534 51 2HD LYS 7 HD1 LYS 7 12.639 -2.379 -9.557 52 1HE LYS 7 HE2 LYS 7 14.366 -0.659 -9.591 53 2HE LYS 7 HE1 LYS 7 14.147 -1.311 -7.968 54 1HZ LYS 7 HZ1 LYS 7 16.212 -2.131 -7.927 55 2HZ LYS 7 HZ2 LYS 7 16.516 -0.994 -9.149 56 3HZ LYS 7 HZ3 LYS 7 16.196 -2.612 -9.555 57 H ILE 8 HN ILE 8 9.547 -3.593 -6.636 58 HA ILE 8 HA ILE 8 9.917 -3.993 -3.780 59 HB ILE 8 HB ILE 8 7.277 -3.790 -5.234 60 1HG1 ILE 8 HG12 ILE 8 8.752 -1.806 -5.660 61 2HG1 ILE 8 HG11 ILE 8 7.286 -1.416 -4.762 62 1HG2 ILE 8 HG21 ILE 8 7.151 -4.712 -2.995 63 2HG2 ILE 8 HG22 ILE 8 6.476 -3.082 -3.011 64 3HG2 ILE 8 HG23 ILE 8 8.093 -3.361 -2.361 65 1HD1 ILE 8 HD11 ILE 8 8.578 -1.384 -2.689 66 2HD1 ILE 8 HD12 ILE 8 9.214 -0.239 -3.871 67 3HD1 ILE 8 HD13 ILE 8 10.039 -1.775 -3.596 68 H VAL 9 HN VAL 9 9.828 -5.923 -2.857 69 HA VAL 9 HA VAL 9 9.098 -8.216 -4.552 70 HB VAL 9 HB VAL 9 10.675 -8.279 -1.978 71 1HG1 VAL 9 HG11 VAL 9 10.446 -10.260 -4.242 72 2HG1 VAL 9 HG12 VAL 9 9.704 -10.407 -2.649 73 3HG1 VAL 9 HG13 VAL 9 11.459 -10.443 -2.808 74 1HG2 VAL 9 HG21 VAL 9 12.696 -8.391 -3.374 75 2HG2 VAL 9 HG22 VAL 9 11.849 -6.851 -3.526 76 3HG2 VAL 9 HG23 VAL 9 11.707 -8.064 -4.798 77 H TRP 10 HN TRP 10 7.676 -9.774 -3.783 78 HA TRP 10 HA TRP 10 5.943 -8.823 -1.654 79 1HB TRP 10 HB2 TRP 10 4.870 -9.416 -3.723 80 2HB TRP 10 HB1 TRP 10 5.609 -11.015 -3.703 81 HD1 TRP 10 HD1 TRP 10 3.850 -9.426 -0.661 82 HE1 TRP 10 HE1 TRP 10 1.821 -10.878 -0.053 83 HE3 TRP 10 HE3 TRP 10 3.986 -12.711 -4.587 84 HZ2 TRP 10 HZ2 TRP 10 0.445 -13.107 -1.097 85 HZ3 TRP 10 HZ3 TRP 10 2.267 -14.470 -4.704 86 HH2 TRP 10 HH2 TRP 10 0.536 -14.662 -2.995 87 H ASN 11 HN ASN 11 6.551 -9.363 0.296 88 HA ASN 11 HA ASN 11 7.871 -11.868 0.900 89 1HB ASN 11 HB2 ASN 11 8.312 -9.621 2.058 90 2HB ASN 11 HB1 ASN 11 6.758 -9.827 2.845 91 1HD2 ASN 11 HD21 ASN 11 7.123 -12.740 3.174 92 2HD2 ASN 11 HD22 ASN 11 8.280 -12.925 4.441 93 H GLU 12 HN GLU 12 6.136 -13.109 -0.024 94 HA GLU 12 HA GLU 12 3.463 -13.013 0.703 95 1HB GLU 12 HB2 GLU 12 3.345 -15.320 -0.207 96 2HB GLU 12 HB1 GLU 12 4.169 -14.183 -1.264 97 1HG GLU 12 HG2 GLU 12 6.327 -15.050 -0.486 98 2HG GLU 12 HG1 GLU 12 5.475 -16.213 0.531 99 H GLY 13 HN GLY 13 6.150 -14.518 2.356 100 1HA GLY 13 HA2 GLY 13 4.716 -16.210 4.090 101 2HA GLY 13 HA1 GLY 13 6.272 -15.472 4.446 102 H LYS 14 HN LYS 14 5.029 -12.767 4.023 103 HA LYS 14 HA LYS 14 3.580 -12.577 6.586 104 1HB LYS 14 HB2 LYS 14 5.281 -10.432 5.303 105 2HB LYS 14 HB1 LYS 14 4.554 -10.389 6.904 106 1HG LYS 14 HG2 LYS 14 6.753 -12.233 5.999 107 2HG LYS 14 HG1 LYS 14 6.932 -10.817 7.036 108 1HD LYS 14 HD2 LYS 14 5.531 -11.869 8.733 109 2HD LYS 14 HD1 LYS 14 5.299 -13.272 7.687 110 1HE LYS 14 HE2 LYS 14 6.999 -13.765 9.333 111 2HE LYS 14 HE1 LYS 14 7.728 -13.672 7.727 112 1HZ LYS 14 HZ1 LYS 14 7.711 -11.384 9.620 113 2HZ LYS 14 HZ2 LYS 14 8.628 -11.558 8.202 114 3HZ LYS 14 HZ3 LYS 14 8.974 -12.516 9.558 115 H ARG 15 HN ARG 15 3.171 -12.551 3.400 116 HA ARG 15 HA ARG 15 1.751 -11.677 1.871 117 1HB ARG 15 HB2 ARG 15 0.118 -10.880 4.286 118 2HB ARG 15 HB1 ARG 15 -0.467 -11.022 2.634 119 1HG ARG 15 HG2 ARG 15 0.193 -13.454 2.739 120 2HG ARG 15 HG1 ARG 15 0.446 -13.207 4.470 121 1HD ARG 15 HD2 ARG 15 -1.780 -14.122 3.989 122 2HD ARG 15 HD1 ARG 15 -1.868 -12.526 4.735 123 HE ARG 15 HE ARG 15 -2.436 -11.615 2.593 124 1HH1 ARG 15 HH11 ARG 15 -2.397 -15.118 2.712 125 2HH1 ARG 15 HH12 ARG 15 -3.473 -15.291 1.351 126 1HH2 ARG 15 HH21 ARG 15 -3.836 -11.866 0.786 127 2HH2 ARG 15 HH22 ARG 15 -4.276 -13.462 0.266 128 H ARG 16 HN ARG 16 3.894 -9.997 2.733 129 HA ARG 16 HA ARG 16 2.622 -7.353 2.475 130 1HB ARG 16 HB2 ARG 16 4.062 -6.423 4.060 131 2HB ARG 16 HB1 ARG 16 3.632 -7.972 4.754 132 1HG ARG 16 HG2 ARG 16 5.756 -8.906 4.061 133 2HG ARG 16 HG1 ARG 16 6.193 -7.372 3.300 134 1HD ARG 16 HD2 ARG 16 5.936 -6.278 5.525 135 2HD ARG 16 HD1 ARG 16 5.686 -7.874 6.228 136 HE ARG 16 HE ARG 16 8.165 -7.337 4.756 137 1HH1 ARG 16 HH11 ARG 16 6.528 -8.005 7.789 138 2HH1 ARG 16 HH12 ARG 16 8.007 -8.295 8.655 139 1HH2 ARG 16 HH21 ARG 16 10.099 -7.696 5.899 140 2HH2 ARG 16 HH22 ARG 16 10.027 -8.139 7.585 141 H PHE 17 HN PHE 17 4.081 -5.686 1.517 142 HA PHE 17 HA PHE 17 5.903 -6.925 -0.438 143 1HB PHE 17 HB2 PHE 17 4.591 -4.203 -0.528 144 2HB PHE 17 HB1 PHE 17 5.698 -4.833 -1.736 145 HD1 PHE 17 HD1 PHE 17 2.413 -4.173 -1.156 146 HD2 PHE 17 HD2 PHE 17 4.904 -7.346 -2.509 147 HE1 PHE 17 HE1 PHE 17 0.511 -5.143 -2.381 148 HE2 PHE 17 HE2 PHE 17 3.008 -8.320 -3.735 149 HZ PHE 17 HZ PHE 17 0.806 -7.213 -3.674 150 H GLU 18 HN GLU 18 7.990 -6.262 -0.591 151 HA GLU 18 HA GLU 18 8.951 -4.286 1.364 152 1HB GLU 18 HB2 GLU 18 9.148 -6.842 1.973 153 2HB GLU 18 HB1 GLU 18 10.477 -6.804 0.825 154 1HG GLU 18 HG2 GLU 18 11.687 -5.252 2.133 155 2HG GLU 18 HG1 GLU 18 10.299 -4.966 3.188 156 H THR 19 HN THR 19 10.256 -2.838 0.473 157 HA THR 19 HA THR 19 10.863 -2.871 -2.293 158 HB THR 19 HB THR 19 10.712 -0.814 -0.819 159 HG1 THR 19 HG1 THR 19 11.545 -0.507 -2.842 160 1HG2 THR 19 HG21 THR 19 12.798 -0.081 0.288 161 2HG2 THR 19 HG22 THR 19 13.493 -1.674 -0.023 162 3HG2 THR 19 HG23 THR 19 12.096 -1.515 1.039 163 H GLU 20 HN GLU 20 13.140 -2.676 -3.108 164 HA GLU 20 HA GLU 20 14.508 -5.099 -2.720 165 1HB GLU 20 HB2 GLU 20 16.093 -4.189 -4.320 166 2HB GLU 20 HB1 GLU 20 14.451 -3.755 -4.803 167 1HG GLU 20 HG2 GLU 20 14.957 -1.586 -3.427 168 2HG GLU 20 HG1 GLU 20 16.633 -2.034 -3.755 169 H ASP 21 HN ASP 21 14.403 -2.557 -0.744 170 HA ASP 21 HA ASP 21 17.190 -2.742 0.144 171 1HB ASP 21 HB2 ASP 21 16.635 -0.517 -0.482 172 2HB ASP 21 HB1 ASP 21 15.105 -0.582 0.374 173 H HIS 22 HN HIS 22 14.010 -3.561 0.875 174 HA HIS 22 HA HIS 22 13.072 -4.813 2.505 175 1HB HIS 22 HB2 HIS 22 15.878 -5.034 3.616 176 2HB HIS 22 HB1 HIS 22 14.500 -6.008 4.115 177 HD1 HIS 22 HD1 HIS 22 13.620 -7.778 2.385 178 HD2 HIS 22 HD2 HIS 22 17.127 -5.826 1.285 179 HE1 HIS 22 HE1 HIS 22 14.600 -9.139 0.502 180 HE2 HIS 22 HE2 HIS 22 16.758 -7.977 -0.101 181 H GLU 23 HN GLU 23 14.813 -1.988 3.287 182 HA GLU 23 HA GLU 23 13.983 -1.834 6.035 183 1HB GLU 23 HB2 GLU 23 15.095 0.323 4.227 184 2HB GLU 23 HB1 GLU 23 14.982 0.390 5.980 185 1HG GLU 23 HG2 GLU 23 16.669 -1.534 4.387 186 2HG GLU 23 HG1 GLU 23 17.245 -0.105 5.255 187 H ALA 24 HN ALA 24 12.659 -1.033 2.988 188 HA ALA 24 HA ALA 24 10.454 0.416 4.293 189 1HB ALA 24 HB1 ALA 24 11.230 0.505 1.376 190 2HB ALA 24 HB2 ALA 24 11.622 1.746 2.567 191 3HB ALA 24 HB3 ALA 24 9.937 1.426 2.149 192 H PHE 25 HN PHE 25 8.489 -0.501 4.249 193 HA PHE 25 HA PHE 25 7.819 -2.532 2.328 194 1HB PHE 25 HB2 PHE 25 7.391 -4.293 4.014 195 2HB PHE 25 HB1 PHE 25 9.103 -3.915 3.849 196 HD1 PHE 25 HD1 PHE 25 6.237 -3.980 6.056 197 HD2 PHE 25 HD2 PHE 25 10.244 -2.605 5.632 198 HE1 PHE 25 HE1 PHE 25 6.367 -3.619 8.486 199 HE2 PHE 25 HE2 PHE 25 10.378 -2.237 8.061 200 HZ PHE 25 HZ PHE 25 8.439 -2.745 9.490 201 H ILE 26 HN ILE 26 5.660 -3.375 2.641 202 HA ILE 26 HA ILE 26 3.986 -1.860 4.497 203 HB ILE 26 HB ILE 26 3.950 -1.408 1.732 204 1HG1 ILE 26 HG12 ILE 26 2.025 -0.788 3.963 205 2HG1 ILE 26 HG11 ILE 26 3.339 0.208 3.349 206 1HG2 ILE 26 HG21 ILE 26 2.699 -3.483 1.362 207 2HG2 ILE 26 HG22 ILE 26 1.702 -2.072 1.014 208 3HG2 ILE 26 HG23 ILE 26 1.477 -2.962 2.520 209 1HD1 ILE 26 HD11 ILE 26 2.132 0.506 1.255 210 2HD1 ILE 26 HD12 ILE 26 1.194 1.059 2.642 211 3HD1 ILE 26 HD13 ILE 26 0.814 -0.487 1.880 212 H GLU 27 HN GLU 27 2.552 -3.107 5.565 213 HA GLU 27 HA GLU 27 2.545 -5.965 4.871 214 1HB GLU 27 HB2 GLU 27 3.205 -5.325 7.169 215 2HB GLU 27 HB1 GLU 27 1.643 -4.546 7.398 216 1HG GLU 27 HG2 GLU 27 0.551 -6.740 7.077 217 2HG GLU 27 HG1 GLU 27 2.145 -7.484 6.955 218 H TYR 28 HN TYR 28 0.471 -7.122 4.821 219 HA TYR 28 HA TYR 28 -1.925 -5.694 5.323 220 1HB TYR 28 HB2 TYR 28 -2.924 -5.672 3.133 221 2HB TYR 28 HB1 TYR 28 -1.407 -4.795 3.066 222 HD1 TYR 28 HD1 TYR 28 -3.134 -7.894 2.065 223 HD2 TYR 28 HD2 TYR 28 0.374 -5.522 1.650 224 HE1 TYR 28 HE1 TYR 28 -2.466 -9.235 0.117 225 HE2 TYR 28 HE2 TYR 28 1.055 -6.862 -0.295 226 HH TYR 28 HH TYR 28 0.665 -9.034 -1.260 227 H LYS 29 HN LYS 29 -3.748 -7.006 5.377 228 HA LYS 29 HA LYS 29 -3.289 -9.864 4.922 229 1HB LYS 29 HB2 LYS 29 -4.481 -10.394 7.024 230 2HB LYS 29 HB1 LYS 29 -2.968 -9.548 7.312 231 1HG LYS 29 HG2 LYS 29 -5.463 -7.948 7.136 232 2HG LYS 29 HG1 LYS 29 -5.188 -8.921 8.581 233 1HD LYS 29 HD2 LYS 29 -3.206 -6.935 7.476 234 2HD LYS 29 HD1 LYS 29 -4.365 -6.570 8.755 235 1HE LYS 29 HE2 LYS 29 -3.382 -8.473 10.059 236 2HE LYS 29 HE1 LYS 29 -2.129 -8.588 8.828 237 1HZ LYS 29 HZ1 LYS 29 -1.306 -6.468 9.392 238 2HZ LYS 29 HZ2 LYS 29 -1.560 -7.267 10.864 239 3HZ LYS 29 HZ3 LYS 29 -2.665 -6.095 10.335 240 H MET 30 HN MET 30 -5.230 -11.053 4.499 241 HA MET 30 HA MET 30 -7.280 -9.301 3.384 242 1HB MET 30 HB2 MET 30 -8.032 -11.225 2.131 243 2HB MET 30 HB1 MET 30 -6.292 -11.082 1.965 244 1HG MET 30 HG2 MET 30 -5.967 -12.851 3.592 245 2HG MET 30 HG1 MET 30 -7.709 -12.968 3.818 246 1HE MET 30 HE1 MET 30 -6.942 -16.308 1.969 247 2HE MET 30 HE2 MET 30 -7.683 -15.551 3.378 248 3HE MET 30 HE3 MET 30 -5.933 -15.509 3.174 249 H ARG 31 HN ARG 31 -9.034 -8.898 4.429 250 HA ARG 31 HA ARG 31 -9.786 -10.477 6.777 251 1HB ARG 31 HB2 ARG 31 -10.476 -7.684 5.853 252 2HB ARG 31 HB1 ARG 31 -11.275 -8.460 7.211 253 1HG ARG 31 HG2 ARG 31 -9.327 -8.437 8.511 254 2HG ARG 31 HG1 ARG 31 -8.296 -8.127 7.112 255 1HD ARG 31 HD2 ARG 31 -8.718 -6.160 8.648 256 2HD ARG 31 HD1 ARG 31 -9.034 -5.895 6.937 257 HE ARG 31 HE ARG 31 -11.383 -6.704 8.332 258 1HH1 ARG 31 HH11 ARG 31 -9.295 -3.919 7.778 259 2HH1 ARG 31 HH12 ARG 31 -10.588 -2.779 7.994 260 1HH2 ARG 31 HH21 ARG 31 -13.045 -5.198 8.594 261 2HH2 ARG 31 HH22 ARG 31 -12.718 -3.494 8.446 262 H ASN 32 HN ASN 32 -11.986 -11.030 7.107 263 HA ASN 32 HA ASN 32 -14.038 -11.813 6.550 264 1HB ASN 32 HB2 ASN 32 -14.286 -9.324 5.993 265 2HB ASN 32 HB1 ASN 32 -14.042 -9.788 4.314 266 1HD2 ASN 32 HD21 ASN 32 -16.098 -9.131 3.713 267 2HD2 ASN 32 HD22 ASN 32 -17.508 -10.036 4.137 268 H ASN 33 HN ASN 33 -12.579 -13.690 5.746 269 HA ASN 33 HA ASN 33 -12.285 -15.402 4.269 270 1HB ASN 33 HB2 ASN 33 -14.683 -14.094 2.987 271 2HB ASN 33 HB1 ASN 33 -13.981 -15.597 2.395 272 1HD2 ASN 33 HD21 ASN 33 -15.800 -14.083 4.921 273 2HD2 ASN 33 HD22 ASN 33 -16.311 -15.540 5.699 274 H GLY 34 HN GLY 34 -11.192 -12.561 3.736 275 1HA GLY 34 HA2 GLY 34 -9.479 -11.926 2.315 276 2HA GLY 34 HA1 GLY 34 -9.832 -13.311 1.297 277 H LYS 35 HN LYS 35 -12.397 -11.167 2.235 278 HA LYS 35 HA LYS 35 -12.732 -10.373 -0.548 279 1HB LYS 35 HB2 LYS 35 -14.431 -9.597 1.834 280 2HB LYS 35 HB1 LYS 35 -14.849 -9.398 0.141 281 1HG LYS 35 HG2 LYS 35 -14.541 -12.007 1.611 282 2HG LYS 35 HG1 LYS 35 -16.053 -11.253 1.113 283 1HD LYS 35 HD2 LYS 35 -15.347 -11.468 -1.243 284 2HD LYS 35 HD1 LYS 35 -13.884 -12.298 -0.703 285 1HE LYS 35 HE2 LYS 35 -15.310 -14.011 0.376 286 2HE LYS 35 HE1 LYS 35 -16.730 -13.209 -0.292 287 1HZ LYS 35 HZ1 LYS 35 -15.864 -13.626 -2.515 288 2HZ LYS 35 HZ2 LYS 35 -16.069 -15.072 -1.656 289 3HZ LYS 35 HZ3 LYS 35 -14.516 -14.423 -1.860 290 H VAL 36 HN VAL 36 -11.538 -9.160 2.419 291 HA VAL 36 HA VAL 36 -11.215 -6.476 1.255 292 HB VAL 36 HB VAL 36 -11.766 -7.279 4.119 293 1HG1 VAL 36 HG11 VAL 36 -10.916 -4.565 3.088 294 2HG1 VAL 36 HG12 VAL 36 -9.967 -5.623 4.133 295 3HG1 VAL 36 HG13 VAL 36 -11.471 -4.916 4.725 296 1HG2 VAL 36 HG21 VAL 36 -13.726 -7.010 2.723 297 2HG2 VAL 36 HG22 VAL 36 -13.172 -5.416 2.208 298 3HG2 VAL 36 HG23 VAL 36 -13.627 -5.693 3.890 299 H MET 37 HN MET 37 -9.121 -5.926 0.916 300 HA MET 37 HA MET 37 -7.059 -7.338 2.435 301 1HB MET 37 HB2 MET 37 -6.980 -5.602 -0.018 302 2HB MET 37 HB1 MET 37 -5.518 -5.913 0.910 303 1HG MET 37 HG2 MET 37 -5.988 -8.365 0.618 304 2HG MET 37 HG1 MET 37 -7.250 -7.903 -0.525 305 1HE MET 37 HE1 MET 37 -4.374 -9.266 -2.832 306 2HE MET 37 HE2 MET 37 -6.060 -9.443 -2.352 307 3HE MET 37 HE3 MET 37 -4.775 -9.849 -1.216 308 H ASP 38 HN ASP 38 -6.443 -6.524 4.266 309 HA ASP 38 HA ASP 38 -6.880 -3.696 4.839 310 1HB ASP 38 HB2 ASP 38 -7.548 -5.598 6.395 311 2HB ASP 38 HB1 ASP 38 -5.832 -5.864 6.678 312 H LEU 39 HN LEU 39 -5.335 -2.448 4.096 313 HA LEU 39 HA LEU 39 -2.612 -3.396 3.829 314 1HB LEU 39 HB2 LEU 39 -4.060 -0.892 3.014 315 2HB LEU 39 HB1 LEU 39 -2.306 -0.943 3.002 316 HG LEU 39 HG LEU 39 -2.261 -2.603 1.325 317 1HD1 LEU 39 HD11 LEU 39 -4.271 -3.600 0.353 318 2HD1 LEU 39 HD12 LEU 39 -5.250 -2.805 1.588 319 3HD1 LEU 39 HD13 LEU 39 -4.070 -4.032 2.050 320 1HD2 LEU 39 HD21 LEU 39 -4.356 -0.534 0.685 321 2HD2 LEU 39 HD22 LEU 39 -3.465 -1.481 -0.507 322 3HD2 LEU 39 HD23 LEU 39 -2.607 -0.344 0.531 323 H VAL 40 HN VAL 40 -1.254 -3.282 5.450 324 HA VAL 40 HA VAL 40 -1.881 -1.401 7.624 325 HB VAL 40 HB VAL 40 -0.525 -4.087 7.888 326 1HG1 VAL 40 HG11 VAL 40 0.037 -2.499 9.641 327 2HG1 VAL 40 HG12 VAL 40 -0.968 -3.804 10.271 328 3HG1 VAL 40 HG13 VAL 40 -1.676 -2.220 9.953 329 1HG2 VAL 40 HG21 VAL 40 -2.822 -4.383 7.137 330 2HG2 VAL 40 HG22 VAL 40 -3.394 -3.357 8.453 331 3HG2 VAL 40 HG23 VAL 40 -2.628 -4.908 8.807 332 H HIS 41 HN HIS 41 -0.411 0.195 7.583 333 HA HIS 41 HA HIS 41 1.519 1.110 8.316 334 1HB HIS 41 HB2 HIS 41 1.689 -1.107 9.600 335 2HB HIS 41 HB1 HIS 41 2.822 -1.592 8.347 336 HD1 HIS 41 HD1 HIS 41 2.573 0.278 11.461 337 HD2 HIS 41 HD2 HIS 41 5.193 0.092 8.242 338 HE1 HIS 41 HE1 HIS 41 4.709 1.329 12.269 339 HE2 HIS 41 HE2 HIS 41 6.358 0.911 10.407 340 H THR 42 HN THR 42 2.081 2.289 6.602 341 HA THR 42 HA THR 42 3.893 1.096 4.634 342 HB THR 42 HB THR 42 2.226 2.527 3.620 343 HG1 THR 42 HG1 THR 42 3.655 3.421 2.366 344 1HG2 THR 42 HG21 THR 42 1.587 3.874 5.533 345 2HG2 THR 42 HG22 THR 42 2.045 4.925 4.191 346 3HG2 THR 42 HG23 THR 42 3.162 4.666 5.533 347 H TYR 43 HN TYR 43 6.044 1.218 4.981 348 HA TYR 43 HA TYR 43 7.035 3.491 6.534 349 1HB TYR 43 HB2 TYR 43 6.707 1.167 7.828 350 2HB TYR 43 HB1 TYR 43 8.303 0.876 7.135 351 HD1 TYR 43 HD1 TYR 43 6.446 3.537 9.004 352 HD2 TYR 43 HD2 TYR 43 10.143 1.554 8.309 353 HE1 TYR 43 HE1 TYR 43 7.485 4.848 10.808 354 HE2 TYR 43 HE2 TYR 43 11.192 2.853 10.104 355 HH TYR 43 HH TYR 43 10.878 4.918 11.308 356 H VAL 44 HN VAL 44 9.067 4.165 6.036 357 HA VAL 44 HA VAL 44 10.671 2.736 4.095 358 HB VAL 44 HB VAL 44 9.038 3.869 2.661 359 1HG1 VAL 44 HG11 VAL 44 9.984 6.417 3.959 360 2HG1 VAL 44 HG12 VAL 44 8.386 5.689 4.119 361 3HG1 VAL 44 HG13 VAL 44 8.916 6.315 2.559 362 1HG2 VAL 44 HG21 VAL 44 11.764 5.144 2.553 363 2HG2 VAL 44 HG22 VAL 44 10.586 5.140 1.240 364 3HG2 VAL 44 HG23 VAL 44 11.286 3.621 1.804 365 HA PRO 45 HA PRO 45 13.779 4.793 6.554 366 1HB PRO 45 HB2 PRO 45 15.881 4.549 4.818 367 2HB PRO 45 HB1 PRO 45 15.312 3.245 5.865 368 1HG PRO 45 HG2 PRO 45 14.730 3.745 2.973 369 2HG PRO 45 HG1 PRO 45 15.100 2.217 3.792 370 1HD PRO 45 HD2 PRO 45 12.586 2.891 3.139 371 2HD PRO 45 HD1 PRO 45 12.952 2.000 4.630 372 H SER 46 HN SER 46 15.290 6.579 6.441 373 HA SER 46 HA SER 46 14.164 8.938 5.660 374 1HB SER 46 HB2 SER 46 16.476 9.894 5.924 375 2HB SER 46 HB1 SER 46 15.953 8.867 7.261 376 HG SER 46 HG SER 46 17.726 7.804 6.881 377 H PHE 47 HN PHE 47 16.428 6.983 3.820 378 HA PHE 47 HA PHE 47 17.190 8.751 1.846 379 1HB PHE 47 HB2 PHE 47 16.742 5.774 1.593 380 2HB PHE 47 HB1 PHE 47 17.665 6.759 0.464 381 HD1 PHE 47 HD1 PHE 47 17.688 4.990 3.608 382 HD2 PHE 47 HD2 PHE 47 19.790 7.813 1.215 383 HE1 PHE 47 HE1 PHE 47 19.715 4.615 4.953 384 HE2 PHE 47 HE2 PHE 47 21.817 7.446 2.557 385 HZ PHE 47 HZ PHE 47 21.784 5.842 4.426 386 H LYS 48 HN LYS 48 14.143 7.024 2.131 387 HA LYS 48 HA LYS 48 13.386 8.048 -0.522 388 1HB LYS 48 HB2 LYS 48 13.003 5.234 0.514 389 2HB LYS 48 HB1 LYS 48 12.247 5.858 -0.947 390 1HG LYS 48 HG2 LYS 48 14.259 6.001 -2.086 391 2HG LYS 48 HG1 LYS 48 15.214 5.988 -0.605 392 1HD LYS 48 HD2 LYS 48 13.627 3.645 -1.649 393 2HD LYS 48 HD1 LYS 48 15.357 3.877 -1.904 394 1HE LYS 48 HE2 LYS 48 15.398 4.084 0.713 395 2HE LYS 48 HE1 LYS 48 13.872 3.207 0.598 396 1HZ LYS 48 HZ1 LYS 48 16.501 2.316 -0.462 397 2HZ LYS 48 HZ2 LYS 48 15.038 1.495 -0.697 398 3HZ LYS 48 HZ3 LYS 48 15.675 1.663 0.874 399 H ARG 49 HN ARG 49 12.714 8.801 2.335 400 HA ARG 49 HA ARG 49 10.070 8.024 2.925 401 1HB ARG 49 HB2 ARG 49 11.528 10.560 3.688 402 2HB ARG 49 HB1 ARG 49 10.001 10.032 4.382 403 1HG ARG 49 HG2 ARG 49 11.095 8.019 5.241 404 2HG ARG 49 HG1 ARG 49 12.626 8.569 4.560 405 1HD ARG 49 HD2 ARG 49 12.680 9.167 6.838 406 2HD ARG 49 HD1 ARG 49 12.351 10.656 5.953 407 HE ARG 49 HE ARG 49 10.049 9.202 6.993 408 1HH1 ARG 49 HH11 ARG 49 12.278 11.864 7.326 409 2HH1 ARG 49 HH12 ARG 49 11.310 12.717 8.489 410 1HH2 ARG 49 HH21 ARG 49 8.762 10.283 8.531 411 2HH2 ARG 49 HH22 ARG 49 9.302 11.798 9.191 412 H GLY 50 HN GLY 50 11.191 11.142 1.590 413 1HA GLY 50 HA2 GLY 50 8.470 11.687 0.681 414 2HA GLY 50 HA1 GLY 50 9.814 12.821 0.685 415 H LEU 51 HN LEU 51 10.128 9.606 -0.608 416 HA LEU 51 HA LEU 51 10.716 10.780 -3.216 417 1HB LEU 51 HB2 LEU 51 12.312 9.194 -2.137 418 2HB LEU 51 HB1 LEU 51 11.091 7.942 -2.268 419 HG LEU 51 HG LEU 51 11.158 8.186 -4.743 420 1HD1 LEU 51 HD11 LEU 51 11.969 10.495 -4.838 421 2HD1 LEU 51 HD12 LEU 51 13.004 9.409 -5.764 422 3HD1 LEU 51 HD13 LEU 51 13.520 9.977 -4.176 423 1HD2 LEU 51 HD21 LEU 51 13.308 7.056 -5.031 424 2HD2 LEU 51 HD22 LEU 51 12.447 6.451 -3.615 425 3HD2 LEU 51 HD23 LEU 51 13.795 7.571 -3.415 426 H GLY 52 HN GLY 52 8.308 8.828 -1.633 427 1HA GLY 52 HA2 GLY 52 6.162 8.703 -2.899 428 2HA GLY 52 HA1 GLY 52 7.146 8.255 -4.285 429 H LEU 53 HN LEU 53 8.859 6.654 -2.373 430 HA LEU 53 HA LEU 53 7.963 4.182 -3.189 431 1HB LEU 53 HB2 LEU 53 10.248 4.858 -2.332 432 2HB LEU 53 HB1 LEU 53 9.604 4.674 -0.714 433 HG LEU 53 HG LEU 53 10.979 2.740 -1.722 434 1HD1 LEU 53 HD11 LEU 53 9.695 2.564 0.359 435 2HD1 LEU 53 HD12 LEU 53 9.644 1.068 -0.574 436 3HD1 LEU 53 HD13 LEU 53 8.253 2.154 -0.573 437 1HD2 LEU 53 HD21 LEU 53 9.865 2.676 -3.880 438 2HD2 LEU 53 HD22 LEU 53 8.336 2.287 -3.091 439 3HD2 LEU 53 HD23 LEU 53 9.677 1.142 -3.032 440 H ALA 54 HN ALA 54 7.423 5.750 -0.053 441 HA ALA 54 HA ALA 54 6.187 3.749 1.346 442 1HB ALA 54 HB1 ALA 54 5.411 6.660 1.368 443 2HB ALA 54 HB2 ALA 54 6.750 5.945 2.268 444 3HB ALA 54 HB3 ALA 54 5.089 5.482 2.641 445 H SER 55 HN SER 55 4.554 6.069 -0.823 446 HA SER 55 HA SER 55 2.011 4.823 -0.551 447 1HB SER 55 HB2 SER 55 1.442 6.256 -2.567 448 2HB SER 55 HB1 SER 55 2.013 7.123 -1.143 449 HG SER 55 HG SER 55 3.025 7.861 -3.044 450 H HIS 56 HN HIS 56 4.703 4.463 -2.779 451 HA HIS 56 HA HIS 56 3.381 2.992 -4.772 452 1HB HIS 56 HB2 HIS 56 6.236 3.164 -3.888 453 2HB HIS 56 HB1 HIS 56 5.765 1.921 -5.043 454 HD1 HIS 56 HD1 HIS 56 5.947 2.616 -7.406 455 HD2 HIS 56 HD2 HIS 56 5.339 5.864 -4.877 456 HE1 HIS 56 HE1 HIS 56 5.985 4.655 -8.889 457 HE2 HIS 56 HE2 HIS 56 5.350 6.561 -7.365 458 H LEU 57 HN LEU 57 4.703 2.065 -1.676 459 HA LEU 57 HA LEU 57 4.325 -0.721 -1.919 460 1HB LEU 57 HB2 LEU 57 4.172 1.015 0.552 461 2HB LEU 57 HB1 LEU 57 4.334 -0.729 0.539 462 HG LEU 57 HG LEU 57 6.396 1.098 -0.679 463 1HD1 LEU 57 HD11 LEU 57 6.193 1.643 1.677 464 2HD1 LEU 57 HD12 LEU 57 7.686 0.750 1.381 465 3HD1 LEU 57 HD13 LEU 57 6.297 -0.066 2.099 466 1HD2 LEU 57 HD21 LEU 57 7.830 -0.880 -0.431 467 2HD2 LEU 57 HD22 LEU 57 6.442 -1.201 -1.471 468 3HD2 LEU 57 HD23 LEU 57 6.454 -1.790 0.192 469 H CYS 58 HN CYS 58 2.240 1.902 -0.762 470 HA CYS 58 HA CYS 58 0.051 0.240 -0.062 471 1HB CYS 58 HB2 CYS 58 0.308 2.511 0.829 472 2HB CYS 58 HB1 CYS 58 0.065 3.197 -0.783 473 HG CYS 58 HG CYS 58 -2.532 1.450 -0.516 474 H VAL 59 HN VAL 59 0.851 2.038 -2.987 475 HA VAL 59 HA VAL 59 -1.506 1.477 -4.416 476 HB VAL 59 HB VAL 59 1.284 2.127 -5.369 477 1HG1 VAL 59 HG11 VAL 59 0.127 0.923 -7.143 478 2HG1 VAL 59 HG12 VAL 59 0.286 2.630 -7.556 479 3HG1 VAL 59 HG13 VAL 59 -1.261 2.000 -6.992 480 1HG2 VAL 59 HG21 VAL 59 0.321 4.342 -5.807 481 2HG2 VAL 59 HG22 VAL 59 0.200 3.895 -4.104 482 3HG2 VAL 59 HG23 VAL 59 -1.220 3.797 -5.147 483 H ALA 60 HN ALA 60 1.513 -0.314 -4.032 484 HA ALA 60 HA ALA 60 1.045 -2.238 -6.036 485 1HB ALA 60 HB1 ALA 60 3.242 -1.908 -4.998 486 2HB ALA 60 HB2 ALA 60 2.728 -3.591 -4.893 487 3HB ALA 60 HB3 ALA 60 2.621 -2.546 -3.477 488 H ALA 61 HN ALA 61 -0.081 -2.058 -2.669 489 HA ALA 61 HA ALA 61 -1.176 -4.697 -2.727 490 1HB ALA 61 HB1 ALA 61 -2.333 -4.033 -0.682 491 2HB ALA 61 HB2 ALA 61 -1.837 -2.361 -0.943 492 3HB ALA 61 HB3 ALA 61 -0.623 -3.600 -0.626 493 H PHE 62 HN PHE 62 -2.287 -1.460 -3.510 494 HA PHE 62 HA PHE 62 -4.993 -1.990 -3.985 495 1HB PHE 62 HB2 PHE 62 -3.088 -0.010 -5.223 496 2HB PHE 62 HB1 PHE 62 -4.770 -0.118 -5.726 497 HD1 PHE 62 HD1 PHE 62 -6.177 -0.502 -3.220 498 HD2 PHE 62 HD2 PHE 62 -2.860 2.010 -4.120 499 HE1 PHE 62 HE1 PHE 62 -6.861 1.046 -1.431 500 HE2 PHE 62 HE2 PHE 62 -3.534 3.565 -2.323 501 HZ PHE 62 HZ PHE 62 -5.537 3.070 -0.977 502 H GLU 63 HN GLU 63 -2.233 -2.091 -6.219 503 HA GLU 63 HA GLU 63 -3.542 -2.866 -8.538 504 1HB GLU 63 HB2 GLU 63 -0.852 -3.953 -7.705 505 2HB GLU 63 HB1 GLU 63 -1.444 -3.696 -9.337 506 1HG GLU 63 HG2 GLU 63 -1.401 -1.272 -8.938 507 2HG GLU 63 HG1 GLU 63 -0.739 -1.570 -7.336 508 H HIS 64 HN HIS 64 -2.445 -4.766 -5.816 509 HA HIS 64 HA HIS 64 -2.737 -7.300 -7.079 510 1HB HIS 64 HB2 HIS 64 -1.220 -6.737 -5.126 511 2HB HIS 64 HB1 HIS 64 -2.658 -6.755 -4.111 512 HD1 HIS 64 HD1 HIS 64 -1.579 -8.775 -2.792 513 HD2 HIS 64 HD2 HIS 64 -2.408 -9.540 -6.793 514 HE1 HIS 64 HE1 HIS 64 -1.415 -11.267 -3.053 515 HE2 HIS 64 HE2 HIS 64 -1.704 -11.681 -5.522 516 H ALA 65 HN ALA 65 -4.676 -5.493 -4.706 517 HA ALA 65 HA ALA 65 -6.710 -7.469 -4.537 518 1HB ALA 65 HB1 ALA 65 -7.995 -5.787 -3.343 519 2HB ALA 65 HB2 ALA 65 -6.832 -4.550 -3.824 520 3HB ALA 65 HB3 ALA 65 -6.336 -5.858 -2.751 521 H SER 66 HN SER 66 -6.533 -4.321 -6.229 522 HA SER 66 HA SER 66 -8.995 -4.348 -7.461 523 1HB SER 66 HB2 SER 66 -7.325 -2.496 -7.579 524 2HB SER 66 HB1 SER 66 -6.419 -3.435 -8.762 525 HG SER 66 HG SER 66 -8.252 -3.351 -10.132 526 H SER 67 HN SER 67 -6.029 -5.986 -8.573 527 HA SER 67 HA SER 67 -7.101 -6.892 -11.024 528 1HB SER 67 HB2 SER 67 -4.669 -6.795 -10.518 529 2HB SER 67 HB1 SER 67 -4.871 -8.142 -9.399 530 HG SER 67 HG SER 67 -4.916 -9.477 -11.027 531 H HIS 68 HN HIS 68 -7.299 -8.136 -7.767 532 HA HIS 68 HA HIS 68 -8.511 -10.630 -8.743 533 1HB HIS 68 HB2 HIS 68 -6.641 -10.577 -6.974 534 2HB HIS 68 HB1 HIS 68 -7.870 -9.977 -5.867 535 HD1 HIS 68 HD1 HIS 68 -9.738 -11.661 -5.150 536 HD2 HIS 68 HD2 HIS 68 -6.791 -13.289 -7.579 537 HE1 HIS 68 HE1 HIS 68 -10.006 -14.151 -4.957 538 HE2 HIS 68 HE2 HIS 68 -8.231 -15.125 -6.460 539 H SER 69 HN SER 69 -9.613 -7.701 -8.338 540 HA SER 69 HA SER 69 -11.617 -6.733 -7.908 541 1HB SER 69 HB2 SER 69 -12.595 -9.599 -7.901 542 2HB SER 69 HB1 SER 69 -13.624 -8.169 -8.009 543 HG SER 69 HG SER 69 -11.830 -9.237 -9.899 544 H ILE 70 HN ILE 70 -9.898 -7.275 -5.716 545 HA ILE 70 HA ILE 70 -11.691 -7.990 -3.514 546 HB ILE 70 HB ILE 70 -8.683 -7.578 -3.570 547 1HG1 ILE 70 HG12 ILE 70 -10.378 -10.079 -3.330 548 2HG1 ILE 70 HG11 ILE 70 -9.404 -9.612 -4.719 549 1HG2 ILE 70 HG21 ILE 70 -9.578 -6.966 -1.392 550 2HG2 ILE 70 HG22 ILE 70 -8.693 -8.487 -1.289 551 3HG2 ILE 70 HG23 ILE 70 -10.456 -8.494 -1.300 552 1HD1 ILE 70 HD11 ILE 70 -8.376 -10.327 -1.983 553 2HD1 ILE 70 HD12 ILE 70 -7.383 -9.813 -3.345 554 3HD1 ILE 70 HD13 ILE 70 -8.287 -11.326 -3.434 555 H SER 71 HN SER 71 -12.123 -6.561 -1.820 556 HA SER 71 HA SER 71 -11.655 -3.747 -2.422 557 1HB SER 71 HB2 SER 71 -13.215 -3.382 -0.451 558 2HB SER 71 HB1 SER 71 -13.929 -4.225 -1.823 559 HG SER 71 HG SER 71 -12.852 -6.039 -0.187 560 H ILE 72 HN ILE 72 -11.029 -2.344 -0.446 561 HA ILE 72 HA ILE 72 -8.903 -3.740 1.051 562 HB ILE 72 HB ILE 72 -8.559 -1.416 -0.861 563 1HG1 ILE 72 HG12 ILE 72 -7.335 -4.153 -0.625 564 2HG1 ILE 72 HG11 ILE 72 -8.282 -3.498 -1.958 565 1HG2 ILE 72 HG21 ILE 72 -6.239 -1.196 -0.105 566 2HG2 ILE 72 HG22 ILE 72 -6.575 -2.313 1.219 567 3HG2 ILE 72 HG23 ILE 72 -7.401 -0.755 1.148 568 1HD1 ILE 72 HD11 ILE 72 -5.535 -2.577 -1.154 569 2HD1 ILE 72 HD12 ILE 72 -6.483 -1.982 -2.515 570 3HD1 ILE 72 HD13 ILE 72 -5.915 -3.649 -2.501 571 H ILE 73 HN ILE 73 -8.207 -2.691 2.911 572 HA ILE 73 HA ILE 73 -9.460 -0.134 3.660 573 HB ILE 73 HB ILE 73 -9.191 -2.604 5.395 574 1HG1 ILE 73 HG12 ILE 73 -11.243 -2.473 4.060 575 2HG1 ILE 73 HG11 ILE 73 -11.600 -2.277 5.774 576 1HG2 ILE 73 HG21 ILE 73 -9.936 -1.216 7.287 577 2HG2 ILE 73 HG22 ILE 73 -9.815 0.219 6.269 578 3HG2 ILE 73 HG23 ILE 73 -8.364 -0.707 6.664 579 1HD1 ILE 73 HD11 ILE 73 -12.904 -0.749 4.394 580 2HD1 ILE 73 HD12 ILE 73 -11.417 -0.052 3.751 581 3HD1 ILE 73 HD13 ILE 73 -11.807 0.128 5.462 582 HA PRO 74 HA PRO 74 -5.038 0.281 4.161 583 1HB PRO 74 HB2 PRO 74 -5.043 2.988 3.607 584 2HB PRO 74 HB1 PRO 74 -5.006 1.702 2.400 585 1HG PRO 74 HG2 PRO 74 -7.121 3.564 2.948 586 2HG PRO 74 HG1 PRO 74 -7.071 2.294 1.717 587 1HD PRO 74 HD2 PRO 74 -8.363 2.290 4.373 588 2HD PRO 74 HD1 PRO 74 -8.714 1.300 2.941 589 H SER 75 HN SER 75 -4.687 -0.007 6.361 590 HA SER 75 HA SER 75 -4.994 2.106 8.279 591 1HB SER 75 HB2 SER 75 -4.691 -0.244 8.978 592 2HB SER 75 HB1 SER 75 -3.090 -0.263 8.242 593 HG SER 75 HG SER 75 -3.836 0.601 10.688 594 H CYS 76 HN CYS 76 -2.847 1.300 5.774 595 HA CYS 76 HA CYS 76 -0.699 3.039 6.164 596 1HB CYS 76 HB2 CYS 76 -1.908 2.403 3.474 597 2HB CYS 76 HB1 CYS 76 -0.239 2.790 3.856 598 HG CYS 76 HG CYS 76 0.564 0.414 4.479 599 H SER 77 HN SER 77 -3.404 4.186 6.769 600 HA SER 77 HA SER 77 -4.611 5.709 4.873 601 1HB SER 77 HB2 SER 77 -4.359 6.579 7.741 602 2HB SER 77 HB1 SER 77 -5.728 6.798 6.652 603 HG SER 77 HG SER 77 -5.684 4.338 6.641 604 H TYR 78 HN TYR 78 -1.542 6.533 6.350 605 HA TYR 78 HA TYR 78 -1.487 9.273 5.799 606 1HB TYR 78 HB2 TYR 78 0.545 8.786 6.694 607 2HB TYR 78 HB1 TYR 78 0.504 7.130 6.107 608 HD1 TYR 78 HD1 TYR 78 1.271 10.615 5.124 609 HD2 TYR 78 HD2 TYR 78 1.783 6.494 4.202 610 HE1 TYR 78 HE1 TYR 78 2.971 11.216 3.458 611 HE2 TYR 78 HE2 TYR 78 3.482 7.079 2.525 612 HH TYR 78 HH TYR 78 4.102 9.021 1.132 613 H VAL 79 HN VAL 79 -0.894 6.484 3.715 614 HA VAL 79 HA VAL 79 -0.483 7.913 1.312 615 HB VAL 79 HB VAL 79 -1.513 5.098 1.701 616 1HG1 VAL 79 HG11 VAL 79 -0.323 6.408 -0.745 617 2HG1 VAL 79 HG12 VAL 79 -2.015 5.961 -0.528 618 3HG1 VAL 79 HG13 VAL 79 -0.775 4.710 -0.596 619 1HG2 VAL 79 HG21 VAL 79 0.808 4.424 1.260 620 2HG2 VAL 79 HG22 VAL 79 0.661 5.392 2.727 621 3HG2 VAL 79 HG23 VAL 79 1.288 6.121 1.247 622 H SER 80 HN SER 80 -3.355 6.384 2.742 623 HA SER 80 HA SER 80 -4.971 6.775 0.452 624 1HB SER 80 HB2 SER 80 -6.869 6.204 1.893 625 2HB SER 80 HB1 SER 80 -5.516 5.110 2.174 626 HG SER 80 HG SER 80 -6.639 7.025 3.836 627 H ASP 81 HN ASP 81 -4.325 8.761 3.246 628 HA ASP 81 HA ASP 81 -6.488 10.556 2.971 629 1HB ASP 81 HB2 ASP 81 -5.387 10.540 5.063 630 2HB ASP 81 HB1 ASP 81 -3.797 10.729 4.334 631 H THR 82 HN THR 82 -3.046 10.901 1.999 632 HA THR 82 HA THR 82 -3.743 13.314 0.535 633 HB THR 82 HB THR 82 -1.701 13.495 1.744 634 HG1 THR 82 HG1 THR 82 -1.704 14.445 -0.365 635 1HG2 THR 82 HG21 THR 82 -1.131 11.135 1.960 636 2HG2 THR 82 HG22 THR 82 0.242 12.054 1.343 637 3HG2 THR 82 HG23 THR 82 -0.721 11.063 0.246 638 H PHE 83 HN PHE 83 -2.433 10.099 -0.234 639 HA PHE 83 HA PHE 83 -1.992 10.771 -2.967 640 1HB PHE 83 HB2 PHE 83 -1.937 8.116 -1.547 641 2HB PHE 83 HB1 PHE 83 -1.389 8.395 -3.195 642 HD1 PHE 83 HD1 PHE 83 -0.096 7.751 -0.215 643 HD2 PHE 83 HD2 PHE 83 0.057 10.883 -3.099 644 HE1 PHE 83 HE1 PHE 83 2.126 8.393 0.616 645 HE2 PHE 83 HE2 PHE 83 2.293 11.517 -2.277 646 HZ PHE 83 HZ PHE 83 3.268 10.417 -0.381 647 H LEU 84 HN LEU 84 -4.590 9.065 -1.315 648 HA LEU 84 HA LEU 84 -5.639 7.904 -3.677 649 1HB LEU 84 HB2 LEU 84 -6.646 8.278 -0.907 650 2HB LEU 84 HB1 LEU 84 -7.781 7.787 -2.150 651 HG LEU 84 HG LEU 84 -5.276 6.342 -1.279 652 1HD1 LEU 84 HD11 LEU 84 -8.169 5.535 -1.230 653 2HD1 LEU 84 HD12 LEU 84 -7.200 6.004 0.167 654 3HD1 LEU 84 HD13 LEU 84 -6.805 4.537 -0.731 655 1HD2 LEU 84 HD21 LEU 84 -5.849 4.652 -2.948 656 2HD2 LEU 84 HD22 LEU 84 -5.454 6.204 -3.687 657 3HD2 LEU 84 HD23 LEU 84 -7.137 5.694 -3.551 658 HA PRO 85 HA PRO 85 -8.530 11.803 -3.908 659 1HB PRO 85 HB2 PRO 85 -6.805 13.799 -2.592 660 2HB PRO 85 HB1 PRO 85 -8.555 13.583 -2.490 661 1HG PRO 85 HG2 PRO 85 -6.937 12.952 -0.449 662 2HG PRO 85 HG1 PRO 85 -8.402 12.023 -0.806 663 1HD PRO 85 HD2 PRO 85 -5.538 11.347 -1.385 664 2HD PRO 85 HD1 PRO 85 -6.878 10.298 -0.869 665 H ARG 86 HN ARG 86 -5.057 11.784 -3.828 666 HA ARG 86 HA ARG 86 -4.638 13.633 -5.964 667 1HB ARG 86 HB2 ARG 86 -2.921 13.198 -4.297 668 2HB ARG 86 HB1 ARG 86 -2.868 11.503 -4.753 669 1HG ARG 86 HG2 ARG 86 -1.934 12.073 -6.906 670 2HG ARG 86 HG1 ARG 86 -2.083 13.797 -6.540 671 1HD ARG 86 HD2 ARG 86 -0.528 13.589 -4.710 672 2HD ARG 86 HD1 ARG 86 -0.459 11.842 -4.921 673 HE ARG 86 HE ARG 86 0.489 12.473 -7.228 674 1HH1 ARG 86 HH11 ARG 86 0.945 14.376 -4.323 675 2HH1 ARG 86 HH12 ARG 86 2.558 14.879 -4.743 676 1HH2 ARG 86 HH21 ARG 86 2.623 13.120 -7.786 677 2HH2 ARG 86 HH22 ARG 86 3.501 14.171 -6.715 678 H ASN 87 HN ASN 87 -4.633 10.099 -5.699 679 HA ASN 87 HA ASN 87 -5.123 9.937 -8.605 680 1HB ASN 87 HB2 ASN 87 -3.582 8.013 -6.845 681 2HB ASN 87 HB1 ASN 87 -4.079 7.649 -8.492 682 1HD2 ASN 87 HD21 ASN 87 -1.913 9.412 -6.479 683 2HD2 ASN 87 HD22 ASN 87 -0.870 9.981 -7.737 684 HA PRO 88 HA PRO 88 -8.751 8.244 -6.364 685 1HB PRO 88 HB2 PRO 88 -10.328 9.435 -8.494 686 2HB PRO 88 HB1 PRO 88 -10.342 9.805 -6.770 687 1HG PRO 88 HG2 PRO 88 -9.402 11.530 -8.644 688 2HG PRO 88 HG1 PRO 88 -8.777 11.472 -6.985 689 1HD PRO 88 HD2 PRO 88 -7.630 10.278 -9.488 690 2HD PRO 88 HD1 PRO 88 -6.805 11.140 -8.168 691 H SER 89 HN SER 89 -7.556 6.297 -7.409 692 HA SER 89 HA SER 89 -9.371 5.201 -9.453 693 1HB SER 89 HB2 SER 89 -7.208 5.861 -10.489 694 2HB SER 89 HB1 SER 89 -6.370 4.782 -9.376 695 HG SER 89 HG SER 89 -7.753 3.087 -10.285 696 H TRP 90 HN TRP 90 -8.646 4.970 -6.360 697 HA TRP 90 HA TRP 90 -8.647 2.025 -6.364 698 1HB TRP 90 HB2 TRP 90 -7.273 3.667 -4.243 699 2HB TRP 90 HB1 TRP 90 -7.116 1.942 -4.559 700 HD1 TRP 90 HD1 TRP 90 -5.391 5.112 -5.153 701 HE1 TRP 90 HE1 TRP 90 -3.557 4.860 -6.922 702 HE3 TRP 90 HE3 TRP 90 -6.729 0.564 -7.071 703 HZ2 TRP 90 HZ2 TRP 90 -2.767 2.987 -8.886 704 HZ3 TRP 90 HZ3 TRP 90 -5.381 -0.384 -8.900 705 HH2 TRP 90 HH2 TRP 90 -3.444 0.804 -9.786 706 H LYS 91 HN LYS 91 -10.471 4.521 -5.932 707 HA LYS 91 HA LYS 91 -11.587 4.278 -3.364 708 1HB LYS 91 HB2 LYS 91 -12.799 5.280 -5.941 709 2HB LYS 91 HB1 LYS 91 -13.532 5.469 -4.354 710 1HG LYS 91 HG2 LYS 91 -11.756 6.872 -3.613 711 2HG LYS 91 HG1 LYS 91 -10.809 6.528 -5.061 712 1HD LYS 91 HD2 LYS 91 -11.845 8.723 -5.210 713 2HD LYS 91 HD1 LYS 91 -12.505 7.637 -6.434 714 1HE LYS 91 HE2 LYS 91 -14.454 7.230 -4.973 715 2HE LYS 91 HE1 LYS 91 -13.796 8.382 -3.811 716 1HZ LYS 91 HZ1 LYS 91 -14.473 9.055 -6.621 717 2HZ LYS 91 HZ2 LYS 91 -14.013 10.135 -5.399 718 3HZ LYS 91 HZ3 LYS 91 -15.501 9.332 -5.303 719 HA PRO 92 HA PRO 92 -14.710 1.162 -5.555 720 1HB PRO 92 HB2 PRO 92 -12.814 -0.068 -7.466 721 2HB PRO 92 HB1 PRO 92 -14.535 0.284 -7.655 722 1HG PRO 92 HG2 PRO 92 -12.714 1.773 -8.885 723 2HG PRO 92 HG1 PRO 92 -14.160 2.513 -8.173 724 1HD PRO 92 HD2 PRO 92 -11.358 2.424 -7.118 725 2HD PRO 92 HD1 PRO 92 -12.521 3.766 -7.116 726 H LEU 93 HN LEU 93 -11.509 0.923 -4.534 727 HA LEU 93 HA LEU 93 -11.773 -1.902 -3.823 728 1HB LEU 93 HB2 LEU 93 -9.402 -0.099 -3.374 729 2HB LEU 93 HB1 LEU 93 -9.434 -1.854 -3.338 730 HG LEU 93 HG LEU 93 -9.923 -0.178 -5.790 731 1HD1 LEU 93 HD11 LEU 93 -7.478 -1.724 -4.926 732 2HD1 LEU 93 HD12 LEU 93 -7.619 0.032 -5.037 733 3HD1 LEU 93 HD13 LEU 93 -7.700 -0.956 -6.498 734 1HD2 LEU 93 HD21 LEU 93 -9.545 -3.154 -5.446 735 2HD2 LEU 93 HD22 LEU 93 -9.700 -2.305 -6.985 736 3HD2 LEU 93 HD23 LEU 93 -11.053 -2.333 -5.854 737 H ILE 94 HN ILE 94 -10.740 1.141 -2.274 738 HA ILE 94 HA ILE 94 -11.487 0.002 0.301 739 HB ILE 94 HB ILE 94 -10.331 1.774 1.351 740 1HG1 ILE 94 HG12 ILE 94 -9.733 3.249 -1.177 741 2HG1 ILE 94 HG11 ILE 94 -11.299 3.502 -0.402 742 1HG2 ILE 94 HG21 ILE 94 -8.115 1.729 0.316 743 2HG2 ILE 94 HG22 ILE 94 -8.824 1.067 -1.157 744 3HG2 ILE 94 HG23 ILE 94 -8.868 0.134 0.339 745 1HD1 ILE 94 HD11 ILE 94 -10.174 4.129 1.663 746 2HD1 ILE 94 HD12 ILE 94 -9.673 5.157 0.320 747 3HD1 ILE 94 HD13 ILE 94 -8.610 3.871 0.893 748 H HIS 95 HN HIS 95 -12.145 2.514 1.546 749 HA HIS 95 HA HIS 95 -14.850 2.815 0.643 750 1HB HIS 95 HB2 HIS 95 -13.259 4.022 2.895 751 2HB HIS 95 HB1 HIS 95 -14.887 4.592 2.507 752 HD1 HIS 95 HD1 HIS 95 -14.654 3.341 5.236 753 HD2 HIS 95 HD2 HIS 95 -15.332 1.068 1.814 754 HE1 HIS 95 HE1 HIS 95 -15.677 1.191 6.035 755 HE2 HIS 95 HE2 HIS 95 -16.102 -0.163 3.951 756 H SER 96 HN SER 96 -12.434 5.448 1.238 757 HA SER 96 HA SER 96 -12.392 6.069 -1.586 758 1HB SER 96 HB2 SER 96 -13.553 8.113 0.335 759 2HB SER 96 HB1 SER 96 -13.145 8.412 -1.350 760 HG SER 96 HG SER 96 -14.734 6.276 -1.233 761 H GLU 97 HN GLU 97 -11.737 7.488 1.611 762 HA GLU 97 HA GLU 97 -8.957 7.885 0.887 763 1HB GLU 97 HB2 GLU 97 -10.145 9.928 0.255 764 2HB GLU 97 HB1 GLU 97 -10.837 10.051 1.869 765 1HG GLU 97 HG2 GLU 97 -8.209 10.057 2.462 766 2HG GLU 97 HG1 GLU 97 -8.176 10.807 0.865 767 H VAL 98 HN VAL 98 -8.582 9.453 3.425 768 HA VAL 98 HA VAL 98 -8.239 7.175 5.098 769 HB VAL 98 HB VAL 98 -6.598 8.962 5.151 770 1HG1 VAL 98 HG11 VAL 98 -7.089 11.119 6.201 771 2HG1 VAL 98 HG12 VAL 98 -8.790 10.665 6.322 772 3HG1 VAL 98 HG13 VAL 98 -8.041 10.867 4.738 773 1HG2 VAL 98 HG21 VAL 98 -8.056 8.672 7.775 774 2HG2 VAL 98 HG22 VAL 98 -6.400 9.247 7.581 775 3HG2 VAL 98 HG23 VAL 98 -6.816 7.590 7.139 776 H PHE 99 HN PHE 99 -10.532 9.897 5.124 777 HA PHE 99 HA PHE 99 -12.414 8.713 6.805 778 1HB PHE 99 HB2 PHE 99 -10.305 9.063 8.362 779 2HB PHE 99 HB1 PHE 99 -10.853 10.734 8.390 780 HD1 PHE 99 HD1 PHE 99 -11.760 7.270 9.287 781 HD2 PHE 99 HD2 PHE 99 -12.734 11.396 9.656 782 HE1 PHE 99 HE1 PHE 99 -13.359 6.729 11.077 783 HE2 PHE 99 HE2 PHE 99 -14.338 10.861 11.442 784 HZ PHE 99 HZ PHE 99 -14.623 8.480 12.169 785 H LYS 100 HN LYS 100 -11.778 10.611 4.544 786 HA LYS 100 HA LYS 100 -12.646 13.224 5.149 787 1HB LYS 100 HB2 LYS 100 -13.129 13.378 2.718 788 2HB LYS 100 HB1 LYS 100 -11.543 12.682 3.035 789 1HG LYS 100 HG2 LYS 100 -12.073 10.881 1.864 790 2HG LYS 100 HG1 LYS 100 -13.451 10.573 2.922 791 1HD LYS 100 HD2 LYS 100 -14.657 12.359 1.512 792 2HD LYS 100 HD1 LYS 100 -13.349 12.105 0.360 793 1HE LYS 100 HE2 LYS 100 -13.884 9.713 0.295 794 2HE LYS 100 HE1 LYS 100 -15.215 9.994 1.413 795 1HZ LYS 100 HZ1 LYS 100 -16.189 11.498 -0.269 796 2HZ LYS 100 HZ2 LYS 100 -16.063 9.896 -0.802 797 3HZ LYS 100 HZ3 LYS 100 -14.955 11.054 -1.348 798 H SER 101 HN SER 101 -14.246 10.259 4.593 799 HA SER 101 HA SER 101 -16.821 11.212 5.353 800 1HB SER 101 HB2 SER 101 -16.853 11.995 3.078 801 2HB SER 101 HB1 SER 101 -16.206 10.457 2.501 802 HG SER 101 HG SER 101 -18.372 9.786 3.748 803 H SER 102 HN SER 102 -14.513 9.036 5.384 804 HA SER 102 HA SER 102 -16.115 6.657 4.840 805 1HB SER 102 HB2 SER 102 -13.119 6.871 5.211 806 2HB SER 102 HB1 SER 102 -14.017 5.497 4.563 807 HG SER 102 HG SER 102 -14.760 7.220 2.940 808 H ILE 103 HN ILE 103 -16.559 5.206 6.403 809 HA ILE 103 HA ILE 103 -15.307 5.588 9.036 810 HB ILE 103 HB ILE 103 -17.388 4.647 10.032 811 1HG1 ILE 103 HG12 ILE 103 -18.540 5.089 7.266 812 2HG1 ILE 103 HG11 ILE 103 -18.210 3.515 7.981 813 1HG2 ILE 103 HG21 ILE 103 -17.005 7.032 10.061 814 2HG2 ILE 103 HG22 ILE 103 -18.719 6.707 9.803 815 3HG2 ILE 103 HG23 ILE 103 -17.700 7.192 8.448 816 1HD1 ILE 103 HD11 ILE 103 -20.557 4.045 8.135 817 2HD1 ILE 103 HD12 ILE 103 -20.188 5.549 8.978 818 3HD1 ILE 103 HD13 ILE 103 -19.840 3.999 9.745 Start of MODEL 12 1 1H MET 1 HT1 MET 1 17.009 7.149 -9.204 2 2H MET 1 HT2 MET 1 18.138 7.715 -10.335 3 3H MET 1 HT3 MET 1 16.504 8.152 -10.477 4 HA MET 1 HA MET 1 18.294 8.879 -8.246 5 1HB MET 1 HB2 MET 1 17.940 11.237 -9.243 6 2HB MET 1 HB1 MET 1 19.107 10.160 -9.993 7 1HG MET 1 HG2 MET 1 17.427 9.572 -11.694 8 2HG MET 1 HG1 MET 1 16.317 10.728 -10.964 9 1HE MET 1 HE1 MET 1 20.282 11.874 -13.036 10 2HE MET 1 HE2 MET 1 19.658 10.226 -12.942 11 3HE MET 1 HE3 MET 1 20.228 11.039 -11.484 12 H ALA 2 HN ALA 2 15.469 10.549 -9.705 13 HA ALA 2 HA ALA 2 14.317 10.556 -6.991 14 1HB ALA 2 HB1 ALA 2 13.082 12.541 -7.650 15 2HB ALA 2 HB2 ALA 2 13.723 12.419 -9.289 16 3HB ALA 2 HB3 ALA 2 14.807 12.769 -7.943 17 H THR 3 HN THR 3 13.140 10.586 -10.371 18 HA THR 3 HA THR 3 10.776 9.098 -9.515 19 HB THR 3 HB THR 3 11.452 10.099 -12.294 20 HG1 THR 3 HG1 THR 3 10.060 11.306 -10.120 21 1HG2 THR 3 HG21 THR 3 9.749 8.336 -12.232 22 2HG2 THR 3 HG22 THR 3 9.043 9.888 -12.680 23 3HG2 THR 3 HG23 THR 3 8.828 9.262 -11.046 24 H GLU 4 HN GLU 4 12.231 7.334 -8.929 25 HA GLU 4 HA GLU 4 13.210 5.785 -11.218 26 1HB GLU 4 HB2 GLU 4 14.741 6.545 -9.295 27 2HB GLU 4 HB1 GLU 4 13.919 5.331 -8.329 28 1HG GLU 4 HG2 GLU 4 14.777 3.573 -9.595 29 2HG GLU 4 HG1 GLU 4 15.216 4.635 -10.935 30 HA PRO 5 HA PRO 5 9.733 3.089 -10.485 31 1HB PRO 5 HB2 PRO 5 10.589 1.083 -12.146 32 2HB PRO 5 HB1 PRO 5 9.757 2.538 -12.702 33 1HG PRO 5 HG2 PRO 5 12.677 1.910 -12.701 34 2HG PRO 5 HG1 PRO 5 11.706 2.729 -13.938 35 1HD PRO 5 HD2 PRO 5 13.297 4.075 -12.223 36 2HD PRO 5 HD1 PRO 5 11.770 4.748 -12.827 37 HA PRO 6 HA PRO 6 11.875 0.678 -7.348 38 1HB PRO 6 HB2 PRO 6 9.205 0.199 -6.282 39 2HB PRO 6 HB1 PRO 6 10.547 1.089 -5.562 40 1HG PRO 6 HG2 PRO 6 8.286 2.297 -6.442 41 2HG PRO 6 HG1 PRO 6 9.872 3.093 -6.455 42 1HD PRO 6 HD2 PRO 6 8.384 1.781 -8.702 43 2HD PRO 6 HD1 PRO 6 9.317 3.296 -8.700 44 H LYS 7 HN LYS 7 11.813 -1.520 -6.623 45 HA LYS 7 HA LYS 7 10.268 -3.315 -8.379 46 1HB LYS 7 HB2 LYS 7 13.139 -3.566 -7.481 47 2HB LYS 7 HB1 LYS 7 12.216 -4.937 -8.081 48 1HG LYS 7 HG2 LYS 7 12.728 -4.381 -10.160 49 2HG LYS 7 HG1 LYS 7 11.943 -2.816 -9.948 50 1HD LYS 7 HD2 LYS 7 14.782 -3.418 -9.129 51 2HD LYS 7 HD1 LYS 7 14.326 -2.668 -10.660 52 1HE LYS 7 HE2 LYS 7 13.404 -0.776 -9.540 53 2HE LYS 7 HE1 LYS 7 13.569 -1.554 -7.965 54 1HZ LYS 7 HZ1 LYS 7 15.300 0.087 -8.333 55 2HZ LYS 7 HZ2 LYS 7 15.805 -0.713 -9.741 56 3HZ LYS 7 HZ3 LYS 7 15.977 -1.467 -8.232 57 H ILE 8 HN ILE 8 8.684 -3.555 -6.894 58 HA ILE 8 HA ILE 8 9.350 -4.061 -4.131 59 HB ILE 8 HB ILE 8 6.594 -3.997 -5.354 60 1HG1 ILE 8 HG12 ILE 8 7.890 -1.932 -5.890 61 2HG1 ILE 8 HG11 ILE 8 6.509 -1.626 -4.840 62 1HG2 ILE 8 HG21 ILE 8 6.700 -4.936 -3.119 63 2HG2 ILE 8 HG22 ILE 8 5.931 -3.349 -3.070 64 3HG2 ILE 8 HG23 ILE 8 7.608 -3.532 -2.549 65 1HD1 ILE 8 HD11 ILE 8 8.011 -1.525 -2.916 66 2HD1 ILE 8 HD12 ILE 8 8.457 -0.352 -4.155 67 3HD1 ILE 8 HD13 ILE 8 9.385 -1.841 -3.975 68 H VAL 9 HN VAL 9 9.302 -5.923 -3.134 69 HA VAL 9 HA VAL 9 8.722 -8.355 -4.683 70 HB VAL 9 HB VAL 9 10.295 -8.036 -2.116 71 1HG1 VAL 9 HG11 VAL 9 9.396 -10.289 -2.474 72 2HG1 VAL 9 HG12 VAL 9 11.155 -10.252 -2.574 73 3HG1 VAL 9 HG13 VAL 9 10.190 -10.349 -4.048 74 1HG2 VAL 9 HG21 VAL 9 11.267 -8.210 -4.956 75 2HG2 VAL 9 HG22 VAL 9 12.295 -8.268 -3.523 76 3HG2 VAL 9 HG23 VAL 9 11.369 -6.811 -3.888 77 H TRP 10 HN TRP 10 7.314 -9.905 -3.874 78 HA TRP 10 HA TRP 10 5.680 -9.007 -1.620 79 1HB TRP 10 HB2 TRP 10 4.432 -9.555 -3.615 80 2HB TRP 10 HB1 TRP 10 5.164 -11.160 -3.675 81 HD1 TRP 10 HD1 TRP 10 3.899 -9.705 -0.369 82 HE1 TRP 10 HE1 TRP 10 1.904 -11.096 0.458 83 HE3 TRP 10 HE3 TRP 10 3.218 -12.656 -4.490 84 HZ2 TRP 10 HZ2 TRP 10 0.242 -13.165 -0.523 85 HZ3 TRP 10 HZ3 TRP 10 1.401 -14.313 -4.463 86 HH2 TRP 10 HH2 TRP 10 -0.056 -14.562 -2.521 87 H ASN 11 HN ASN 11 6.077 -9.726 0.268 88 HA ASN 11 HA ASN 11 7.405 -12.300 0.704 89 1HB ASN 11 HB2 ASN 11 8.183 -10.188 1.832 90 2HB ASN 11 HB1 ASN 11 6.640 -10.134 2.668 91 1HD2 ASN 11 HD21 ASN 11 9.409 -10.372 3.580 92 2HD2 ASN 11 HD22 ASN 11 9.439 -11.763 4.618 93 H GLU 12 HN GLU 12 5.723 -13.768 0.323 94 HA GLU 12 HA GLU 12 3.053 -13.235 1.189 95 1HB GLU 12 HB2 GLU 12 2.525 -15.466 0.376 96 2HB GLU 12 HB1 GLU 12 3.483 -14.580 -0.799 97 1HG GLU 12 HG2 GLU 12 5.487 -15.808 0.006 98 2HG GLU 12 HG1 GLU 12 4.427 -16.768 1.039 99 H GLY 13 HN GLY 13 5.784 -14.736 2.650 100 1HA GLY 13 HA2 GLY 13 4.381 -16.259 4.614 101 2HA GLY 13 HA1 GLY 13 6.068 -15.767 4.692 102 H LYS 14 HN LYS 14 5.593 -12.962 4.469 103 HA LYS 14 HA LYS 14 4.589 -12.445 7.175 104 1HB LYS 14 HB2 LYS 14 6.636 -11.268 5.449 105 2HB LYS 14 HB1 LYS 14 5.614 -10.064 6.217 106 1HG LYS 14 HG2 LYS 14 7.613 -10.508 7.517 107 2HG LYS 14 HG1 LYS 14 6.160 -10.965 8.408 108 1HD LYS 14 HD2 LYS 14 7.827 -12.665 8.732 109 2HD LYS 14 HD1 LYS 14 6.554 -13.322 7.699 110 1HE LYS 14 HE2 LYS 14 7.915 -12.948 5.732 111 2HE LYS 14 HE1 LYS 14 9.161 -12.174 6.710 112 1HZ LYS 14 HZ1 LYS 14 9.558 -14.256 7.832 113 2HZ LYS 14 HZ2 LYS 14 9.703 -14.477 6.156 114 3HZ LYS 14 HZ3 LYS 14 8.309 -15.010 6.965 115 H ARG 15 HN ARG 15 3.461 -12.389 4.073 116 HA ARG 15 HA ARG 15 1.686 -11.455 2.991 117 1HB ARG 15 HB2 ARG 15 0.873 -10.589 5.772 118 2HB ARG 15 HB1 ARG 15 -0.166 -10.577 4.355 119 1HG ARG 15 HG2 ARG 15 -0.197 -12.941 4.249 120 2HG ARG 15 HG1 ARG 15 1.099 -13.074 5.441 121 1HD ARG 15 HD2 ARG 15 -1.678 -12.003 5.923 122 2HD ARG 15 HD1 ARG 15 -1.051 -13.560 6.465 123 HE ARG 15 HE ARG 15 0.162 -11.034 7.371 124 1HH1 ARG 15 HH11 ARG 15 -1.391 -14.093 8.060 125 2HH1 ARG 15 HH12 ARG 15 -1.070 -14.012 9.772 126 1HH2 ARG 15 HH21 ARG 15 0.600 -10.924 9.611 127 2HH2 ARG 15 HH22 ARG 15 0.053 -12.210 10.650 128 H ARG 16 HN ARG 16 3.954 -9.968 2.821 129 HA ARG 16 HA ARG 16 2.931 -7.236 2.935 130 1HB ARG 16 HB2 ARG 16 4.718 -6.371 4.201 131 2HB ARG 16 HB1 ARG 16 4.216 -7.825 5.046 132 1HG ARG 16 HG2 ARG 16 6.084 -9.052 4.128 133 2HG ARG 16 HG1 ARG 16 6.570 -7.640 3.185 134 1HD ARG 16 HD2 ARG 16 6.805 -6.396 5.360 135 2HD ARG 16 HD1 ARG 16 6.560 -7.936 6.186 136 HE ARG 16 HE ARG 16 8.632 -8.151 4.253 137 1HH1 ARG 16 HH11 ARG 16 7.977 -6.904 7.482 138 2HH1 ARG 16 HH12 ARG 16 9.650 -6.963 7.962 139 1HH2 ARG 16 HH21 ARG 16 10.795 -8.220 4.890 140 2HH2 ARG 16 HH22 ARG 16 11.252 -7.703 6.488 141 H PHE 17 HN PHE 17 4.115 -5.735 1.627 142 HA PHE 17 HA PHE 17 5.765 -7.018 -0.450 143 1HB PHE 17 HB2 PHE 17 4.363 -4.334 -0.525 144 2HB PHE 17 HB1 PHE 17 5.316 -5.027 -1.828 145 HD1 PHE 17 HD1 PHE 17 2.116 -4.375 -0.827 146 HD2 PHE 17 HD2 PHE 17 4.469 -7.563 -2.388 147 HE1 PHE 17 HE1 PHE 17 0.087 -5.430 -1.739 148 HE2 PHE 17 HE2 PHE 17 2.442 -8.613 -3.308 149 HZ PHE 17 HZ PHE 17 0.248 -7.546 -2.983 150 H GLU 18 HN GLU 18 7.870 -6.463 -0.608 151 HA GLU 18 HA GLU 18 8.803 -4.222 1.063 152 1HB GLU 18 HB2 GLU 18 10.980 -5.933 0.642 153 2HB GLU 18 HB1 GLU 18 10.111 -5.665 2.148 154 1HG GLU 18 HG2 GLU 18 8.518 -7.481 1.361 155 2HG GLU 18 HG1 GLU 18 9.725 -7.843 0.127 156 H THR 19 HN THR 19 10.026 -2.732 0.171 157 HA THR 19 HA THR 19 10.300 -2.507 -2.624 158 HB THR 19 HB THR 19 10.319 -0.554 -1.100 159 HG1 THR 19 HG1 THR 19 11.702 -0.687 -3.214 160 1HG2 THR 19 HG21 THR 19 13.015 -1.570 -0.232 161 2HG2 THR 19 HG22 THR 19 11.546 -1.557 0.743 162 3HG2 THR 19 HG23 THR 19 12.281 -0.034 0.238 163 H GLU 20 HN GLU 20 12.465 -2.266 -3.721 164 HA GLU 20 HA GLU 20 13.985 -4.627 -3.567 165 1HB GLU 20 HB2 GLU 20 15.500 -3.494 -5.152 166 2HB GLU 20 HB1 GLU 20 13.811 -3.316 -5.616 167 1HG GLU 20 HG2 GLU 20 15.003 -1.171 -3.957 168 2HG GLU 20 HG1 GLU 20 15.520 -1.291 -5.637 169 H ASP 21 HN ASP 21 13.920 -2.050 -1.543 170 HA ASP 21 HA ASP 21 16.731 -2.225 -0.754 171 1HB ASP 21 HB2 ASP 21 15.802 0.010 -1.051 172 2HB ASP 21 HB1 ASP 21 14.499 -0.355 0.063 173 H HIS 22 HN HIS 22 13.602 -3.263 0.073 174 HA HIS 22 HA HIS 22 12.756 -4.680 1.589 175 1HB HIS 22 HB2 HIS 22 15.665 -5.366 1.977 176 2HB HIS 22 HB1 HIS 22 14.350 -6.245 2.751 177 HD1 HIS 22 HD1 HIS 22 12.923 -7.815 1.278 178 HD2 HIS 22 HD2 HIS 22 15.929 -5.807 -0.799 179 HE1 HIS 22 HE1 HIS 22 13.078 -8.940 -0.964 180 HE2 HIS 22 HE2 HIS 22 14.898 -7.722 -2.209 181 H GLU 23 HN GLU 23 14.622 -2.104 2.591 182 HA GLU 23 HA GLU 23 14.138 -2.432 5.416 183 1HB GLU 23 HB2 GLU 23 15.042 -0.010 3.842 184 2HB GLU 23 HB1 GLU 23 15.052 -0.156 5.595 185 1HG GLU 23 HG2 GLU 23 16.642 -1.880 3.699 186 2HG GLU 23 HG1 GLU 23 17.267 -0.486 4.588 187 H ALA 24 HN ALA 24 12.606 -1.072 2.660 188 HA ALA 24 HA ALA 24 10.479 0.087 4.316 189 1HB ALA 24 HB1 ALA 24 11.382 1.640 2.684 190 2HB ALA 24 HB2 ALA 24 9.729 1.206 2.246 191 3HB ALA 24 HB3 ALA 24 11.086 0.483 1.385 192 H PHE 25 HN PHE 25 8.417 -0.704 4.199 193 HA PHE 25 HA PHE 25 7.744 -2.711 2.246 194 1HB PHE 25 HB2 PHE 25 7.185 -4.429 3.977 195 2HB PHE 25 HB1 PHE 25 8.912 -4.158 3.746 196 HD1 PHE 25 HD1 PHE 25 6.059 -3.691 6.009 197 HD2 PHE 25 HD2 PHE 25 10.256 -3.212 5.491 198 HE1 PHE 25 HE1 PHE 25 6.308 -3.301 8.425 199 HE2 PHE 25 HE2 PHE 25 10.513 -2.818 7.904 200 HZ PHE 25 HZ PHE 25 8.538 -2.863 9.374 201 H ILE 26 HN ILE 26 5.586 -3.484 2.436 202 HA ILE 26 HA ILE 26 3.811 -1.817 4.079 203 HB ILE 26 HB ILE 26 3.982 -1.687 1.315 204 1HG1 ILE 26 HG12 ILE 26 2.949 -0.147 3.043 205 2HG1 ILE 26 HG11 ILE 26 2.174 -0.203 1.462 206 1HG2 ILE 26 HG21 ILE 26 2.939 -3.860 0.999 207 2HG2 ILE 26 HG22 ILE 26 1.872 -2.573 0.436 208 3HG2 ILE 26 HG23 ILE 26 1.563 -3.362 1.984 209 1HD1 ILE 26 HD11 ILE 26 0.482 -1.724 2.366 210 2HD1 ILE 26 HD12 ILE 26 0.524 -0.181 3.223 211 3HD1 ILE 26 HD13 ILE 26 1.250 -1.618 3.950 212 H GLU 27 HN GLU 27 2.526 -3.020 5.387 213 HA GLU 27 HA GLU 27 2.507 -5.926 4.912 214 1HB GLU 27 HB2 GLU 27 3.236 -5.110 7.141 215 2HB GLU 27 HB1 GLU 27 1.664 -4.356 7.361 216 1HG GLU 27 HG2 GLU 27 0.671 -6.669 7.084 217 2HG GLU 27 HG1 GLU 27 2.316 -7.284 7.237 218 H TYR 28 HN TYR 28 0.474 -7.098 5.031 219 HA TYR 28 HA TYR 28 -1.924 -5.573 5.400 220 1HB TYR 28 HB2 TYR 28 -2.977 -6.045 3.282 221 2HB TYR 28 HB1 TYR 28 -1.471 -5.191 2.991 222 HD1 TYR 28 HD1 TYR 28 -3.212 -8.410 2.691 223 HD2 TYR 28 HD2 TYR 28 0.330 -6.241 1.769 224 HE1 TYR 28 HE1 TYR 28 -2.589 -10.138 1.059 225 HE2 TYR 28 HE2 TYR 28 0.966 -7.970 0.140 226 HH TYR 28 HH TYR 28 0.527 -10.196 -0.469 227 H LYS 29 HN LYS 29 -3.797 -6.866 5.621 228 HA LYS 29 HA LYS 29 -3.352 -9.753 5.690 229 1HB LYS 29 HB2 LYS 29 -4.727 -9.904 7.774 230 2HB LYS 29 HB1 LYS 29 -3.162 -9.146 8.008 231 1HG LYS 29 HG2 LYS 29 -5.454 -7.354 7.468 232 2HG LYS 29 HG1 LYS 29 -5.422 -8.179 9.025 233 1HD LYS 29 HD2 LYS 29 -3.186 -6.497 7.898 234 2HD LYS 29 HD1 LYS 29 -4.352 -5.960 9.106 235 1HE LYS 29 HE2 LYS 29 -3.577 -7.798 10.588 236 2HE LYS 29 HE1 LYS 29 -2.338 -8.180 9.397 237 1HZ LYS 29 HZ1 LYS 29 -1.581 -6.764 11.275 238 2HZ LYS 29 HZ2 LYS 29 -2.588 -5.525 10.701 239 3HZ LYS 29 HZ3 LYS 29 -1.300 -6.089 9.745 240 H MET 30 HN MET 30 -5.090 -10.958 5.072 241 HA MET 30 HA MET 30 -7.102 -9.458 3.590 242 1HB MET 30 HB2 MET 30 -6.886 -12.471 3.779 243 2HB MET 30 HB1 MET 30 -7.547 -11.501 2.473 244 1HG MET 30 HG2 MET 30 -5.363 -10.785 1.812 245 2HG MET 30 HG1 MET 30 -4.638 -11.582 3.208 246 1HE MET 30 HE1 MET 30 -4.474 -14.183 3.519 247 2HE MET 30 HE2 MET 30 -5.163 -15.358 2.397 248 3HE MET 30 HE3 MET 30 -6.225 -14.322 3.351 249 H ARG 31 HN ARG 31 -8.712 -8.773 4.802 250 HA ARG 31 HA ARG 31 -9.604 -10.300 7.126 251 1HB ARG 31 HB2 ARG 31 -10.358 -7.546 6.120 252 2HB ARG 31 HB1 ARG 31 -10.920 -8.255 7.629 253 1HG ARG 31 HG2 ARG 31 -8.618 -8.317 8.455 254 2HG ARG 31 HG1 ARG 31 -8.051 -7.639 6.929 255 1HD ARG 31 HD2 ARG 31 -8.147 -5.825 8.418 256 2HD ARG 31 HD1 ARG 31 -9.582 -5.670 7.406 257 HE ARG 31 HE ARG 31 -10.455 -7.075 9.566 258 1HH1 ARG 31 HH11 ARG 31 -8.785 -4.013 9.149 259 2HH1 ARG 31 HH12 ARG 31 -9.469 -3.315 10.591 260 1HH2 ARG 31 HH21 ARG 31 -11.322 -6.172 11.461 261 2HH2 ARG 31 HH22 ARG 31 -10.913 -4.540 11.903 262 H ASN 32 HN ASN 32 -11.891 -10.691 7.446 263 HA ASN 32 HA ASN 32 -13.962 -11.393 6.830 264 1HB ASN 32 HB2 ASN 32 -14.044 -9.003 6.009 265 2HB ASN 32 HB1 ASN 32 -13.594 -9.602 4.420 266 1HD2 ASN 32 HD21 ASN 32 -15.493 -8.730 3.611 267 2HD2 ASN 32 HD22 ASN 32 -17.026 -9.507 3.833 268 H ASN 33 HN ASN 33 -11.950 -13.098 6.273 269 HA ASN 33 HA ASN 33 -11.564 -15.059 5.197 270 1HB ASN 33 HB2 ASN 33 -14.101 -14.325 3.744 271 2HB ASN 33 HB1 ASN 33 -13.206 -15.800 3.404 272 1HD2 ASN 33 HD21 ASN 33 -15.892 -15.341 4.498 273 2HD2 ASN 33 HD22 ASN 33 -15.925 -16.216 5.997 274 H GLY 34 HN GLY 34 -10.912 -12.222 4.049 275 1HA GLY 34 HA2 GLY 34 -9.100 -11.864 2.578 276 2HA GLY 34 HA1 GLY 34 -9.537 -13.321 1.704 277 H LYS 35 HN LYS 35 -12.029 -11.115 2.578 278 HA LYS 35 HA LYS 35 -12.404 -10.390 -0.214 279 1HB LYS 35 HB2 LYS 35 -14.061 -9.757 2.236 280 2HB LYS 35 HB1 LYS 35 -14.496 -9.324 0.588 281 1HG LYS 35 HG2 LYS 35 -14.139 -12.125 1.620 282 2HG LYS 35 HG1 LYS 35 -15.682 -11.312 1.364 283 1HD LYS 35 HD2 LYS 35 -15.173 -11.109 -1.026 284 2HD LYS 35 HD1 LYS 35 -13.631 -11.925 -0.763 285 1HE LYS 35 HE2 LYS 35 -15.300 -13.469 -1.633 286 2HE LYS 35 HE1 LYS 35 -14.812 -13.918 -0.001 287 1HZ LYS 35 HZ1 LYS 35 -17.308 -12.511 -0.783 288 2HZ LYS 35 HZ2 LYS 35 -16.832 -12.789 0.820 289 3HZ LYS 35 HZ3 LYS 35 -17.173 -14.099 -0.203 290 H VAL 36 HN VAL 36 -11.228 -9.081 2.744 291 HA VAL 36 HA VAL 36 -10.886 -6.468 1.443 292 HB VAL 36 HB VAL 36 -11.433 -7.072 4.348 293 1HG1 VAL 36 HG11 VAL 36 -10.698 -4.425 3.098 294 2HG1 VAL 36 HG12 VAL 36 -9.688 -5.366 4.196 295 3HG1 VAL 36 HG13 VAL 36 -11.207 -4.674 4.768 296 1HG2 VAL 36 HG21 VAL 36 -12.919 -5.435 2.299 297 2HG2 VAL 36 HG22 VAL 36 -13.349 -5.566 4.004 298 3HG2 VAL 36 HG23 VAL 36 -13.416 -6.991 2.965 299 H MET 37 HN MET 37 -8.859 -5.963 1.065 300 HA MET 37 HA MET 37 -6.720 -7.263 2.570 301 1HB MET 37 HB2 MET 37 -6.683 -5.410 0.172 302 2HB MET 37 HB1 MET 37 -5.237 -6.056 0.936 303 1HG MET 37 HG2 MET 37 -7.410 -7.739 -0.289 304 2HG MET 37 HG1 MET 37 -5.948 -7.236 -1.134 305 1HE MET 37 HE1 MET 37 -5.448 -9.800 -1.699 306 2HE MET 37 HE2 MET 37 -6.906 -10.274 -0.826 307 3HE MET 37 HE3 MET 37 -5.371 -11.065 -0.472 308 H ASP 38 HN ASP 38 -6.303 -6.338 4.470 309 HA ASP 38 HA ASP 38 -6.658 -3.468 4.745 310 1HB ASP 38 HB2 ASP 38 -7.286 -5.227 6.504 311 2HB ASP 38 HB1 ASP 38 -5.563 -5.344 6.837 312 H LEU 39 HN LEU 39 -5.130 -2.313 3.872 313 HA LEU 39 HA LEU 39 -2.400 -3.200 3.714 314 1HB LEU 39 HB2 LEU 39 -3.876 -0.740 2.826 315 2HB LEU 39 HB1 LEU 39 -2.122 -0.765 2.825 316 HG LEU 39 HG LEU 39 -2.040 -2.457 1.186 317 1HD1 LEU 39 HD11 LEU 39 -3.799 -3.922 1.978 318 2HD1 LEU 39 HD12 LEU 39 -4.007 -3.566 0.263 319 3HD1 LEU 39 HD13 LEU 39 -5.018 -2.758 1.460 320 1HD2 LEU 39 HD21 LEU 39 -2.477 -0.239 0.332 321 2HD2 LEU 39 HD22 LEU 39 -4.214 -0.495 0.495 322 3HD2 LEU 39 HD23 LEU 39 -3.288 -1.443 -0.670 323 H VAL 40 HN VAL 40 -1.431 -3.304 5.611 324 HA VAL 40 HA VAL 40 -1.927 -1.194 7.586 325 HB VAL 40 HB VAL 40 -0.840 -3.987 7.977 326 1HG1 VAL 40 HG11 VAL 40 -1.130 -3.575 10.355 327 2HG1 VAL 40 HG12 VAL 40 -1.690 -1.936 10.018 328 3HG1 VAL 40 HG13 VAL 40 -0.028 -2.394 9.648 329 1HG2 VAL 40 HG21 VAL 40 -3.561 -2.880 8.640 330 2HG2 VAL 40 HG22 VAL 40 -2.984 -4.517 8.972 331 3HG2 VAL 40 HG23 VAL 40 -3.191 -3.974 7.307 332 H HIS 41 HN HIS 41 -0.326 0.268 7.718 333 HA HIS 41 HA HIS 41 1.657 0.985 8.529 334 1HB HIS 41 HB2 HIS 41 1.589 -1.202 9.796 335 2HB HIS 41 HB1 HIS 41 2.579 -1.886 8.518 336 HD1 HIS 41 HD1 HIS 41 3.221 -1.412 11.661 337 HD2 HIS 41 HD2 HIS 41 4.794 0.622 8.392 338 HE1 HIS 41 HE1 HIS 41 5.430 -0.493 12.437 339 HE2 HIS 41 HE2 HIS 41 6.458 0.534 10.383 340 H THR 42 HN THR 42 1.920 2.010 6.520 341 HA THR 42 HA THR 42 3.821 0.883 4.662 342 HB THR 42 HB THR 42 2.185 2.472 3.778 343 HG1 THR 42 HG1 THR 42 3.624 3.360 2.520 344 1HG2 THR 42 HG21 THR 42 2.227 4.849 4.458 345 2HG2 THR 42 HG22 THR 42 3.374 4.440 5.738 346 3HG2 THR 42 HG23 THR 42 1.738 3.780 5.772 347 H TYR 43 HN TYR 43 5.994 0.885 5.066 348 HA TYR 43 HA TYR 43 7.002 3.090 6.704 349 1HB TYR 43 HB2 TYR 43 6.609 0.875 8.021 350 2HB TYR 43 HB1 TYR 43 8.090 0.350 7.217 351 HD1 TYR 43 HD1 TYR 43 6.759 3.233 9.202 352 HD2 TYR 43 HD2 TYR 43 10.106 0.819 8.178 353 HE1 TYR 43 HE1 TYR 43 8.107 4.391 10.902 354 HE2 TYR 43 HE2 TYR 43 11.466 1.962 9.862 355 HH TYR 43 HH TYR 43 11.466 4.184 11.057 356 H VAL 44 HN VAL 44 8.863 3.902 6.109 357 HA VAL 44 HA VAL 44 10.584 2.455 4.218 358 HB VAL 44 HB VAL 44 9.837 5.374 3.868 359 1HG1 VAL 44 HG11 VAL 44 12.032 4.748 3.009 360 2HG1 VAL 44 HG12 VAL 44 10.919 5.146 1.700 361 3HG1 VAL 44 HG13 VAL 44 11.294 3.459 2.055 362 1HG2 VAL 44 HG21 VAL 44 8.815 3.011 2.305 363 2HG2 VAL 44 HG22 VAL 44 8.502 4.706 1.940 364 3HG2 VAL 44 HG23 VAL 44 7.875 3.993 3.426 365 HA PRO 45 HA PRO 45 13.622 4.025 7.127 366 1HB PRO 45 HB2 PRO 45 15.832 3.861 5.530 367 2HB PRO 45 HB1 PRO 45 15.110 2.464 6.340 368 1HG PRO 45 HG2 PRO 45 14.748 3.411 3.519 369 2HG PRO 45 HG1 PRO 45 15.034 1.765 4.116 370 1HD PRO 45 HD2 PRO 45 12.576 2.580 3.448 371 2HD PRO 45 HD1 PRO 45 12.839 1.512 4.843 372 H SER 46 HN SER 46 15.473 5.675 7.072 373 HA SER 46 HA SER 46 14.363 8.173 6.410 374 1HB SER 46 HB2 SER 46 16.106 7.559 8.210 375 2HB SER 46 HB1 SER 46 17.299 7.711 6.924 376 HG SER 46 HG SER 46 16.633 9.875 6.639 377 H PHE 47 HN PHE 47 16.148 5.958 4.521 378 HA PHE 47 HA PHE 47 17.486 7.646 2.729 379 1HB PHE 47 HB2 PHE 47 16.253 4.935 2.196 380 2HB PHE 47 HB1 PHE 47 17.438 5.734 1.171 381 HD1 PHE 47 HD1 PHE 47 16.896 3.680 4.068 382 HD2 PHE 47 HD2 PHE 47 19.753 6.087 2.035 383 HE1 PHE 47 HE1 PHE 47 18.703 2.584 5.323 384 HE2 PHE 47 HE2 PHE 47 21.568 4.997 3.287 385 HZ PHE 47 HZ PHE 47 21.044 3.243 4.932 386 H LYS 48 HN LYS 48 14.106 6.665 2.891 387 HA LYS 48 HA LYS 48 13.529 8.228 0.478 388 1HB LYS 48 HB2 LYS 48 12.722 5.337 0.850 389 2HB LYS 48 HB1 LYS 48 12.157 6.380 -0.442 390 1HG LYS 48 HG2 LYS 48 14.355 6.521 -1.378 391 2HG LYS 48 HG1 LYS 48 15.046 5.667 0.002 392 1HD LYS 48 HD2 LYS 48 12.973 4.469 -1.830 393 2HD LYS 48 HD1 LYS 48 14.711 4.272 -2.066 394 1HE LYS 48 HE2 LYS 48 13.239 3.485 0.445 395 2HE LYS 48 HE1 LYS 48 13.605 2.374 -0.871 396 1HZ LYS 48 HZ1 LYS 48 15.273 2.166 0.833 397 2HZ LYS 48 HZ2 LYS 48 15.574 3.832 0.800 398 3HZ LYS 48 HZ3 LYS 48 15.981 2.882 -0.538 399 H ARG 49 HN ARG 49 12.925 8.812 3.201 400 HA ARG 49 HA ARG 49 10.464 7.941 4.137 401 1HB ARG 49 HB2 ARG 49 12.002 10.482 4.563 402 2HB ARG 49 HB1 ARG 49 10.426 10.252 5.305 403 1HG ARG 49 HG2 ARG 49 12.546 8.178 5.650 404 2HG ARG 49 HG1 ARG 49 12.579 9.651 6.621 405 1HD ARG 49 HD2 ARG 49 11.420 7.785 7.747 406 2HD ARG 49 HD1 ARG 49 10.380 9.183 7.495 407 HE ARG 49 HE ARG 49 10.170 7.234 5.405 408 1HH1 ARG 49 HH11 ARG 49 9.081 8.053 8.621 409 2HH1 ARG 49 HH12 ARG 49 7.571 7.212 8.464 410 1HH2 ARG 49 HH21 ARG 49 8.164 6.124 5.193 411 2HH2 ARG 49 HH22 ARG 49 7.044 6.123 6.525 412 H GLY 50 HN GLY 50 10.853 11.253 2.830 413 1HA GLY 50 HA2 GLY 50 8.040 11.150 2.007 414 2HA GLY 50 HA1 GLY 50 9.038 12.593 2.127 415 H LEU 51 HN LEU 51 9.864 9.596 0.485 416 HA LEU 51 HA LEU 51 10.341 11.147 -1.942 417 1HB LEU 51 HB2 LEU 51 11.358 8.572 -0.864 418 2HB LEU 51 HB1 LEU 51 11.329 8.780 -2.603 419 HG LEU 51 HG LEU 51 13.524 9.335 -1.698 420 1HD1 LEU 51 HD11 LEU 51 12.048 11.792 -2.630 421 2HD1 LEU 51 HD12 LEU 51 12.745 10.548 -3.669 422 3HD1 LEU 51 HD13 LEU 51 13.795 11.551 -2.667 423 1HD2 LEU 51 HD21 LEU 51 13.837 11.266 -0.227 424 2HD2 LEU 51 HD22 LEU 51 12.866 10.014 0.549 425 3HD2 LEU 51 HD23 LEU 51 12.087 11.456 -0.104 426 H GLY 52 HN GLY 52 7.846 9.346 -0.715 427 1HA GLY 52 HA2 GLY 52 5.871 9.030 -2.032 428 2HA GLY 52 HA1 GLY 52 6.900 8.882 -3.449 429 H LEU 53 HN LEU 53 8.700 7.054 -1.916 430 HA LEU 53 HA LEU 53 7.833 4.669 -3.010 431 1HB LEU 53 HB2 LEU 53 10.155 5.276 -2.240 432 2HB LEU 53 HB1 LEU 53 9.640 4.938 -0.603 433 HG LEU 53 HG LEU 53 10.967 3.134 -1.876 434 1HD1 LEU 53 HD11 LEU 53 9.876 2.753 0.273 435 2HD1 LEU 53 HD12 LEU 53 9.759 1.338 -0.774 436 3HD1 LEU 53 HD13 LEU 53 8.362 2.394 -0.558 437 1HD2 LEU 53 HD21 LEU 53 9.691 3.218 -3.945 438 2HD2 LEU 53 HD22 LEU 53 8.237 2.711 -3.082 439 3HD2 LEU 53 HD23 LEU 53 9.609 1.612 -3.220 440 H ALA 54 HN ALA 54 7.405 5.847 0.309 441 HA ALA 54 HA ALA 54 6.190 3.715 1.528 442 1HB ALA 54 HB1 ALA 54 5.381 6.609 1.795 443 2HB ALA 54 HB2 ALA 54 6.718 5.834 2.642 444 3HB ALA 54 HB3 ALA 54 5.061 5.324 2.961 445 H SER 55 HN SER 55 4.582 6.197 -0.432 446 HA SER 55 HA SER 55 2.022 5.000 -0.255 447 1HB SER 55 HB2 SER 55 3.125 7.075 -2.163 448 2HB SER 55 HB1 SER 55 1.420 6.632 -2.042 449 HG SER 55 HG SER 55 3.018 8.090 -0.275 450 H HIS 56 HN HIS 56 4.700 4.668 -2.504 451 HA HIS 56 HA HIS 56 3.327 3.347 -4.581 452 1HB HIS 56 HB2 HIS 56 6.190 3.441 -3.722 453 2HB HIS 56 HB1 HIS 56 5.698 2.206 -4.874 454 HD1 HIS 56 HD1 HIS 56 4.753 3.064 -7.186 455 HD2 HIS 56 HD2 HIS 56 6.481 5.981 -4.769 456 HE1 HIS 56 HE1 HIS 56 5.180 5.034 -8.696 457 HE2 HIS 56 HE2 HIS 56 6.124 6.827 -7.195 458 H LEU 57 HN LEU 57 4.692 2.224 -1.561 459 HA LEU 57 HA LEU 57 4.461 -0.549 -2.010 460 1HB LEU 57 HB2 LEU 57 4.253 0.996 0.580 461 2HB LEU 57 HB1 LEU 57 4.499 -0.735 0.449 462 HG LEU 57 HG LEU 57 6.445 1.279 -0.664 463 1HD1 LEU 57 HD11 LEU 57 7.794 0.876 1.332 464 2HD1 LEU 57 HD12 LEU 57 6.491 -0.094 2.018 465 3HD1 LEU 57 HD13 LEU 57 6.251 1.629 1.733 466 1HD2 LEU 57 HD21 LEU 57 7.985 -0.616 -0.616 467 2HD2 LEU 57 HD22 LEU 57 6.573 -0.966 -1.613 468 3HD2 LEU 57 HD23 LEU 57 6.701 -1.651 0.008 469 H CYS 58 HN CYS 58 2.303 1.789 -0.491 470 HA CYS 58 HA CYS 58 0.152 0.073 0.036 471 1HB CYS 58 HB2 CYS 58 0.379 2.330 1.006 472 2HB CYS 58 HB1 CYS 58 0.098 3.039 -0.583 473 HG CYS 58 HG CYS 58 -2.484 1.369 -0.446 474 H VAL 59 HN VAL 59 0.917 2.043 -2.811 475 HA VAL 59 HA VAL 59 -1.438 1.546 -4.256 476 HB VAL 59 HB VAL 59 1.346 2.197 -5.229 477 1HG1 VAL 59 HG11 VAL 59 -1.230 2.175 -6.801 478 2HG1 VAL 59 HG12 VAL 59 0.129 1.073 -7.022 479 3HG1 VAL 59 HG13 VAL 59 0.320 2.792 -7.374 480 1HG2 VAL 59 HG21 VAL 59 0.281 3.918 -3.870 481 2HG2 VAL 59 HG22 VAL 59 -1.133 3.881 -4.922 482 3HG2 VAL 59 HG23 VAL 59 0.418 4.435 -5.551 483 H ALA 60 HN ALA 60 1.574 -0.284 -4.023 484 HA ALA 60 HA ALA 60 1.012 -2.072 -6.139 485 1HB ALA 60 HB1 ALA 60 2.766 -2.505 -3.719 486 2HB ALA 60 HB2 ALA 60 3.268 -1.771 -5.243 487 3HB ALA 60 HB3 ALA 60 2.783 -3.466 -5.197 488 H ALA 61 HN ALA 61 0.007 -2.027 -2.764 489 HA ALA 61 HA ALA 61 -1.011 -4.707 -2.833 490 1HB ALA 61 HB1 ALA 61 -2.099 -4.133 -0.730 491 2HB ALA 61 HB2 ALA 61 -1.686 -2.435 -0.969 492 3HB ALA 61 HB3 ALA 61 -0.409 -3.625 -0.720 493 H PHE 62 HN PHE 62 -2.232 -1.477 -3.461 494 HA PHE 62 HA PHE 62 -4.924 -2.087 -3.940 495 1HB PHE 62 HB2 PHE 62 -3.084 0.010 -5.075 496 2HB PHE 62 HB1 PHE 62 -4.751 -0.130 -5.609 497 HD1 PHE 62 HD1 PHE 62 -6.270 -0.578 -3.223 498 HD2 PHE 62 HD2 PHE 62 -2.847 1.886 -3.789 499 HE1 PHE 62 HE1 PHE 62 -6.947 0.797 -1.290 500 HE2 PHE 62 HE2 PHE 62 -3.523 3.268 -1.868 501 HZ PHE 62 HZ PHE 62 -5.681 2.849 -0.753 502 H GLU 63 HN GLU 63 -2.154 -1.988 -6.169 503 HA GLU 63 HA GLU 63 -3.454 -2.689 -8.524 504 1HB GLU 63 HB2 GLU 63 -0.667 -3.561 -7.747 505 2HB GLU 63 HB1 GLU 63 -1.302 -3.391 -9.375 506 1HG GLU 63 HG2 GLU 63 -1.615 -0.938 -8.829 507 2HG GLU 63 HG1 GLU 63 -0.629 -1.239 -7.405 508 H HIS 64 HN HIS 64 -2.333 -4.676 -5.892 509 HA HIS 64 HA HIS 64 -2.539 -7.170 -7.258 510 1HB HIS 64 HB2 HIS 64 -1.100 -6.764 -5.257 511 2HB HIS 64 HB1 HIS 64 -2.560 -6.633 -4.281 512 HD1 HIS 64 HD1 HIS 64 -2.682 -8.699 -2.917 513 HD2 HIS 64 HD2 HIS 64 -1.499 -9.495 -6.821 514 HE1 HIS 64 HE1 HIS 64 -2.483 -11.198 -3.067 515 HE2 HIS 64 HE2 HIS 64 -1.888 -11.670 -5.465 516 H ALA 65 HN ALA 65 -4.582 -5.529 -4.848 517 HA ALA 65 HA ALA 65 -6.556 -7.584 -4.872 518 1HB ALA 65 HB1 ALA 65 -6.779 -4.760 -3.860 519 2HB ALA 65 HB2 ALA 65 -6.192 -6.141 -2.932 520 3HB ALA 65 HB3 ALA 65 -7.866 -6.097 -3.487 521 H SER 66 HN SER 66 -6.471 -4.284 -6.255 522 HA SER 66 HA SER 66 -8.973 -4.241 -7.424 523 1HB SER 66 HB2 SER 66 -7.507 -2.288 -7.389 524 2HB SER 66 HB1 SER 66 -6.404 -3.070 -8.522 525 HG SER 66 HG SER 66 -8.577 -1.611 -9.051 526 H SER 67 HN SER 67 -6.003 -5.676 -8.700 527 HA SER 67 HA SER 67 -6.967 -6.277 -11.268 528 1HB SER 67 HB2 SER 67 -4.549 -6.319 -10.409 529 2HB SER 67 HB1 SER 67 -4.918 -7.925 -9.785 530 HG SER 67 HG SER 67 -5.129 -8.695 -11.807 531 H HIS 68 HN HIS 68 -7.130 -8.033 -8.210 532 HA HIS 68 HA HIS 68 -8.455 -10.298 -9.515 533 1HB HIS 68 HB2 HIS 68 -6.602 -10.501 -7.733 534 2HB HIS 68 HB1 HIS 68 -7.841 -10.038 -6.573 535 HD1 HIS 68 HD1 HIS 68 -6.725 -12.846 -8.741 536 HD2 HIS 68 HD2 HIS 68 -9.770 -12.020 -6.037 537 HE1 HIS 68 HE1 HIS 68 -7.818 -15.061 -8.251 538 HE2 HIS 68 HE2 HIS 68 -9.530 -14.555 -6.472 539 H SER 69 HN SER 69 -9.429 -7.411 -8.604 540 HA SER 69 HA SER 69 -11.316 -6.410 -7.871 541 1HB SER 69 HB2 SER 69 -12.507 -9.082 -8.631 542 2HB SER 69 HB1 SER 69 -13.459 -7.655 -8.214 543 HG SER 69 HG SER 69 -12.175 -6.582 -9.933 544 H ILE 70 HN ILE 70 -9.779 -7.086 -5.880 545 HA ILE 70 HA ILE 70 -11.516 -8.225 -3.791 546 HB ILE 70 HB ILE 70 -8.532 -7.653 -3.701 547 1HG1 ILE 70 HG12 ILE 70 -9.989 -10.293 -3.988 548 2HG1 ILE 70 HG11 ILE 70 -9.112 -9.467 -5.272 549 1HG2 ILE 70 HG21 ILE 70 -9.510 -7.549 -1.493 550 2HG2 ILE 70 HG22 ILE 70 -8.574 -9.036 -1.650 551 3HG2 ILE 70 HG23 ILE 70 -10.334 -9.088 -1.749 552 1HD1 ILE 70 HD11 ILE 70 -7.926 -10.570 -2.736 553 2HD1 ILE 70 HD12 ILE 70 -7.036 -9.719 -3.997 554 3HD1 ILE 70 HD13 ILE 70 -7.795 -11.272 -4.348 555 H SER 71 HN SER 71 -11.784 -6.995 -1.817 556 HA SER 71 HA SER 71 -11.658 -4.118 -2.300 557 1HB SER 71 HB2 SER 71 -12.927 -5.659 -0.017 558 2HB SER 71 HB1 SER 71 -13.126 -3.937 -0.346 559 HG SER 71 HG SER 71 -13.723 -5.210 -2.574 560 H ILE 72 HN ILE 72 -10.967 -2.736 -0.391 561 HA ILE 72 HA ILE 72 -8.706 -3.940 1.061 562 HB ILE 72 HB ILE 72 -8.536 -1.640 -0.916 563 1HG1 ILE 72 HG12 ILE 72 -7.163 -4.315 -0.712 564 2HG1 ILE 72 HG11 ILE 72 -8.244 -3.753 -1.983 565 1HG2 ILE 72 HG21 ILE 72 -6.192 -1.336 -0.250 566 2HG2 ILE 72 HG22 ILE 72 -6.440 -2.461 1.087 567 3HG2 ILE 72 HG23 ILE 72 -7.319 -0.933 1.047 568 1HD1 ILE 72 HD11 ILE 72 -5.522 -2.609 -1.408 569 2HD1 ILE 72 HD12 ILE 72 -6.595 -2.166 -2.735 570 3HD1 ILE 72 HD13 ILE 72 -5.892 -3.781 -2.671 571 H ILE 73 HN ILE 73 -8.072 -2.775 2.874 572 HA ILE 73 HA ILE 73 -9.337 -0.188 3.450 573 HB ILE 73 HB ILE 73 -9.195 -2.549 5.345 574 1HG1 ILE 73 HG12 ILE 73 -11.188 -2.408 3.879 575 2HG1 ILE 73 HG11 ILE 73 -11.590 -2.239 5.587 576 1HG2 ILE 73 HG21 ILE 73 -9.996 -1.026 7.107 577 2HG2 ILE 73 HG22 ILE 73 -9.776 0.335 6.006 578 3HG2 ILE 73 HG23 ILE 73 -8.380 -0.608 6.534 579 1HD1 ILE 73 HD11 ILE 73 -11.366 -0.001 3.589 580 2HD1 ILE 73 HD12 ILE 73 -11.754 0.181 5.300 581 3HD1 ILE 73 HD13 ILE 73 -12.858 -0.686 4.233 582 HA PRO 74 HA PRO 74 -4.892 0.050 4.069 583 1HB PRO 74 HB2 PRO 74 -4.901 2.789 3.352 584 2HB PRO 74 HB1 PRO 74 -4.497 1.415 2.321 585 1HG PRO 74 HG2 PRO 74 -6.716 3.090 2.019 586 2HG PRO 74 HG1 PRO 74 -6.501 1.503 1.262 587 1HD PRO 74 HD2 PRO 74 -8.057 2.249 3.697 588 2HD PRO 74 HD1 PRO 74 -8.414 1.027 2.455 589 H SER 75 HN SER 75 -4.752 -0.088 6.313 590 HA SER 75 HA SER 75 -5.305 2.045 8.098 591 1HB SER 75 HB2 SER 75 -3.232 -0.165 8.311 592 2HB SER 75 HB1 SER 75 -3.807 0.837 9.645 593 HG SER 75 HG SER 75 -5.181 -1.173 8.192 594 H CYS 76 HN CYS 76 -2.907 1.427 5.804 595 HA CYS 76 HA CYS 76 -0.931 3.309 6.444 596 1HB CYS 76 HB2 CYS 76 -1.747 2.376 3.689 597 2HB CYS 76 HB1 CYS 76 -0.237 3.151 4.144 598 HG CYS 76 HG CYS 76 -1.276 0.016 4.907 599 H SER 77 HN SER 77 -3.768 4.281 6.639 600 HA SER 77 HA SER 77 -4.705 5.767 4.559 601 1HB SER 77 HB2 SER 77 -4.923 6.517 7.475 602 2HB SER 77 HB1 SER 77 -6.022 6.992 6.181 603 HG SER 77 HG SER 77 -5.906 4.383 6.062 604 H TYR 78 HN TYR 78 -1.791 6.593 6.252 605 HA TYR 78 HA TYR 78 -1.667 9.338 5.692 606 1HB TYR 78 HB2 TYR 78 0.339 8.810 6.639 607 2HB TYR 78 HB1 TYR 78 0.278 7.154 6.051 608 HD1 TYR 78 HD1 TYR 78 1.060 10.638 4.950 609 HD2 TYR 78 HD2 TYR 78 1.653 6.474 4.293 610 HE1 TYR 78 HE1 TYR 78 2.770 11.150 3.255 611 HE2 TYR 78 HE2 TYR 78 3.364 6.971 2.600 612 HH TYR 78 HH TYR 78 4.648 10.141 2.154 613 H VAL 79 HN VAL 79 -0.942 6.535 3.646 614 HA VAL 79 HA VAL 79 -0.518 7.904 1.219 615 HB VAL 79 HB VAL 79 -1.653 5.124 1.610 616 1HG1 VAL 79 HG11 VAL 79 -0.220 6.330 -0.755 617 2HG1 VAL 79 HG12 VAL 79 -1.949 5.997 -0.651 618 3HG1 VAL 79 HG13 VAL 79 -0.793 4.665 -0.614 619 1HG2 VAL 79 HG21 VAL 79 1.234 5.939 1.280 620 2HG2 VAL 79 HG22 VAL 79 0.616 4.293 1.450 621 3HG2 VAL 79 HG23 VAL 79 0.484 5.430 2.792 622 H SER 80 HN SER 80 -3.376 6.422 2.675 623 HA SER 80 HA SER 80 -5.143 6.804 0.526 624 1HB SER 80 HB2 SER 80 -5.900 6.841 3.453 625 2HB SER 80 HB1 SER 80 -6.892 6.315 2.091 626 HG SER 80 HG SER 80 -5.253 4.652 1.766 627 H ASP 81 HN ASP 81 -4.271 8.812 3.214 628 HA ASP 81 HA ASP 81 -6.246 10.786 3.082 629 1HB ASP 81 HB2 ASP 81 -4.923 10.652 5.047 630 2HB ASP 81 HB1 ASP 81 -3.415 10.679 4.150 631 H THR 82 HN THR 82 -2.887 10.903 1.872 632 HA THR 82 HA THR 82 -3.533 13.312 0.380 633 HB THR 82 HB THR 82 -1.492 13.314 1.710 634 HG1 THR 82 HG1 THR 82 -0.813 13.351 -1.058 635 1HG2 THR 82 HG21 THR 82 -0.892 10.941 1.520 636 2HG2 THR 82 HG22 THR 82 0.454 11.997 1.088 637 3HG2 THR 82 HG23 THR 82 -0.473 11.190 -0.176 638 H PHE 83 HN PHE 83 -2.372 10.031 -0.321 639 HA PHE 83 HA PHE 83 -1.778 10.664 -3.046 640 1HB PHE 83 HB2 PHE 83 -0.796 8.849 -1.360 641 2HB PHE 83 HB1 PHE 83 -1.992 7.839 -2.161 642 HD1 PHE 83 HD1 PHE 83 -0.546 6.378 -3.328 643 HD2 PHE 83 HD2 PHE 83 -0.109 10.592 -3.734 644 HE1 PHE 83 HE1 PHE 83 0.993 6.035 -5.217 645 HE2 PHE 83 HE2 PHE 83 1.438 10.256 -5.616 646 HZ PHE 83 HZ PHE 83 1.989 7.975 -6.362 647 H LEU 84 HN LEU 84 -4.484 9.133 -1.389 648 HA LEU 84 HA LEU 84 -5.551 8.002 -3.784 649 1HB LEU 84 HB2 LEU 84 -6.647 8.407 -1.041 650 2HB LEU 84 HB1 LEU 84 -7.686 7.872 -2.350 651 HG LEU 84 HG LEU 84 -5.180 6.465 -1.420 652 1HD1 LEU 84 HD11 LEU 84 -6.705 4.728 -0.637 653 2HD1 LEU 84 HD12 LEU 84 -8.079 5.740 -1.083 654 3HD1 LEU 84 HD13 LEU 84 -6.978 6.261 0.191 655 1HD2 LEU 84 HD21 LEU 84 -5.564 6.181 -3.803 656 2HD2 LEU 84 HD22 LEU 84 -7.226 5.680 -3.487 657 3HD2 LEU 84 HD23 LEU 84 -5.883 4.681 -2.931 658 HA PRO 85 HA PRO 85 -8.276 12.101 -3.861 659 1HB PRO 85 HB2 PRO 85 -6.089 13.834 -2.841 660 2HB PRO 85 HB1 PRO 85 -7.833 14.009 -2.653 661 1HG PRO 85 HG2 PRO 85 -6.297 13.189 -0.640 662 2HG PRO 85 HG1 PRO 85 -7.917 12.518 -0.896 663 1HD PRO 85 HD2 PRO 85 -5.248 11.308 -1.462 664 2HD PRO 85 HD1 PRO 85 -6.755 10.536 -0.923 665 H ARG 86 HN ARG 86 -4.772 11.777 -4.136 666 HA ARG 86 HA ARG 86 -4.569 13.300 -6.549 667 1HB ARG 86 HB2 ARG 86 -2.582 12.912 -5.147 668 2HB ARG 86 HB1 ARG 86 -2.683 11.173 -5.467 669 1HG ARG 86 HG2 ARG 86 -2.253 11.535 -7.806 670 2HG ARG 86 HG1 ARG 86 -2.315 13.283 -7.596 671 1HD ARG 86 HD2 ARG 86 -0.312 13.217 -6.232 672 2HD ARG 86 HD1 ARG 86 -0.279 11.453 -6.325 673 HE ARG 86 HE ARG 86 -0.199 12.059 -8.900 674 1HH1 ARG 86 HH11 ARG 86 1.607 13.478 -6.236 675 2HH1 ARG 86 HH12 ARG 86 2.937 13.948 -7.246 676 1HH2 ARG 86 HH21 ARG 86 1.564 12.665 -10.202 677 2HH2 ARG 86 HH22 ARG 86 2.935 13.457 -9.482 678 H ASN 87 HN ASN 87 -4.619 9.829 -5.853 679 HA ASN 87 HA ASN 87 -5.354 9.344 -8.667 680 1HB ASN 87 HB2 ASN 87 -3.698 7.617 -6.811 681 2HB ASN 87 HB1 ASN 87 -4.224 7.137 -8.420 682 1HD2 ASN 87 HD21 ASN 87 -1.563 7.782 -7.029 683 2HD2 ASN 87 HD22 ASN 87 -0.754 8.769 -8.191 684 HA PRO 88 HA PRO 88 -8.807 7.871 -6.000 685 1HB PRO 88 HB2 PRO 88 -10.564 8.869 -8.084 686 2HB PRO 88 HB1 PRO 88 -10.403 9.427 -6.418 687 1HG PRO 88 HG2 PRO 88 -9.640 10.911 -8.563 688 2HG PRO 88 HG1 PRO 88 -8.867 11.035 -6.969 689 1HD PRO 88 HD2 PRO 88 -7.956 9.537 -9.407 690 2HD PRO 88 HD1 PRO 88 -7.013 10.546 -8.289 691 H SER 89 HN SER 89 -7.328 6.155 -7.656 692 HA SER 89 HA SER 89 -9.208 4.997 -9.579 693 1HB SER 89 HB2 SER 89 -6.774 5.493 -10.145 694 2HB SER 89 HB1 SER 89 -6.340 4.183 -9.051 695 HG SER 89 HG SER 89 -6.714 3.830 -11.487 696 H TRP 90 HN TRP 90 -8.463 4.711 -6.381 697 HA TRP 90 HA TRP 90 -8.882 1.800 -6.348 698 1HB TRP 90 HB2 TRP 90 -7.511 3.386 -4.184 699 2HB TRP 90 HB1 TRP 90 -7.469 1.646 -4.450 700 HD1 TRP 90 HD1 TRP 90 -5.358 4.550 -4.882 701 HE1 TRP 90 HE1 TRP 90 -3.500 4.145 -6.606 702 HE3 TRP 90 HE3 TRP 90 -7.211 0.333 -7.107 703 HZ2 TRP 90 HZ2 TRP 90 -2.899 2.296 -8.651 704 HZ3 TRP 90 HZ3 TRP 90 -5.934 -0.686 -8.944 705 HH2 TRP 90 HH2 TRP 90 -3.822 0.278 -9.698 706 H LYS 91 HN LYS 91 -10.615 4.366 -6.121 707 HA LYS 91 HA LYS 91 -11.892 4.432 -3.656 708 1HB LYS 91 HB2 LYS 91 -12.152 5.994 -5.673 709 2HB LYS 91 HB1 LYS 91 -13.296 4.820 -6.299 710 1HG LYS 91 HG2 LYS 91 -13.597 6.188 -3.631 711 2HG LYS 91 HG1 LYS 91 -14.303 6.784 -5.131 712 1HD LYS 91 HD2 LYS 91 -15.526 4.640 -5.358 713 2HD LYS 91 HD1 LYS 91 -14.881 4.143 -3.794 714 1HE LYS 91 HE2 LYS 91 -17.076 4.972 -3.416 715 2HE LYS 91 HE1 LYS 91 -15.952 6.189 -2.810 716 1HZ LYS 91 HZ1 LYS 91 -17.354 6.263 -5.430 717 2HZ LYS 91 HZ2 LYS 91 -16.264 7.434 -4.872 718 3HZ LYS 91 HZ3 LYS 91 -17.743 7.201 -4.071 719 HA PRO 92 HA PRO 92 -14.955 1.026 -5.378 720 1HB PRO 92 HB2 PRO 92 -13.259 -0.362 -7.353 721 2HB PRO 92 HB1 PRO 92 -14.967 0.079 -7.449 722 1HG PRO 92 HG2 PRO 92 -13.157 1.392 -8.874 723 2HG PRO 92 HG1 PRO 92 -14.499 2.259 -8.104 724 1HD PRO 92 HD2 PRO 92 -11.649 2.001 -7.200 725 2HD PRO 92 HD1 PRO 92 -12.683 3.444 -7.253 726 H LEU 93 HN LEU 93 -11.917 0.901 -4.188 727 HA LEU 93 HA LEU 93 -12.091 -1.962 -3.523 728 1HB LEU 93 HB2 LEU 93 -9.690 -0.159 -3.246 729 2HB LEU 93 HB1 LEU 93 -9.730 -1.904 -3.075 730 HG LEU 93 HG LEU 93 -10.253 -0.413 -5.644 731 1HD1 LEU 93 HD11 LEU 93 -7.815 -1.943 -4.737 732 2HD1 LEU 93 HD12 LEU 93 -7.933 -0.190 -4.910 733 3HD1 LEU 93 HD13 LEU 93 -8.057 -1.228 -6.331 734 1HD2 LEU 93 HD21 LEU 93 -9.906 -3.357 -5.075 735 2HD2 LEU 93 HD22 LEU 93 -10.054 -2.630 -6.676 736 3HD2 LEU 93 HD23 LEU 93 -11.405 -2.552 -5.545 737 H ILE 94 HN ILE 94 -11.542 1.267 -2.224 738 HA ILE 94 HA ILE 94 -11.878 0.167 0.489 739 HB ILE 94 HB ILE 94 -10.376 1.779 1.363 740 1HG1 ILE 94 HG12 ILE 94 -9.851 3.052 -1.297 741 2HG1 ILE 94 HG11 ILE 94 -11.251 3.567 -0.357 742 1HG2 ILE 94 HG21 ILE 94 -9.239 0.752 -1.232 743 2HG2 ILE 94 HG22 ILE 94 -9.265 -0.098 0.313 744 3HG2 ILE 94 HG23 ILE 94 -8.296 1.363 0.128 745 1HD1 ILE 94 HD11 ILE 94 -8.398 3.587 0.580 746 2HD1 ILE 94 HD12 ILE 94 -9.798 4.098 1.522 747 3HD1 ILE 94 HD13 ILE 94 -9.339 4.989 0.070 748 H HIS 95 HN HIS 95 -12.049 2.661 1.795 749 HA HIS 95 HA HIS 95 -14.724 3.453 1.291 750 1HB HIS 95 HB2 HIS 95 -12.529 4.457 3.063 751 2HB HIS 95 HB1 HIS 95 -14.000 5.411 2.864 752 HD1 HIS 95 HD1 HIS 95 -14.659 5.007 5.357 753 HD2 HIS 95 HD2 HIS 95 -14.361 1.540 3.069 754 HE1 HIS 95 HE1 HIS 95 -15.735 3.188 6.721 755 HE2 HIS 95 HE2 HIS 95 -15.745 1.166 5.218 756 H SER 96 HN SER 96 -11.924 5.764 1.201 757 HA SER 96 HA SER 96 -11.944 6.084 -1.589 758 1HB SER 96 HB2 SER 96 -14.189 7.088 -1.187 759 2HB SER 96 HB1 SER 96 -13.435 8.301 -0.153 760 HG SER 96 HG SER 96 -12.094 8.335 -2.408 761 H GLU 97 HN GLU 97 -11.114 7.262 1.566 762 HA GLU 97 HA GLU 97 -8.658 8.410 0.951 763 1HB GLU 97 HB2 GLU 97 -10.122 10.016 -0.297 764 2HB GLU 97 HB1 GLU 97 -10.955 10.381 1.207 765 1HG GLU 97 HG2 GLU 97 -8.576 11.058 2.020 766 2HG GLU 97 HG1 GLU 97 -8.240 11.175 0.290 767 H VAL 98 HN VAL 98 -8.805 10.496 2.998 768 HA VAL 98 HA VAL 98 -9.442 8.795 5.300 769 HB VAL 98 HB VAL 98 -7.087 9.616 5.033 770 1HG1 VAL 98 HG11 VAL 98 -6.623 11.934 5.699 771 2HG1 VAL 98 HG12 VAL 98 -8.356 12.261 5.696 772 3HG1 VAL 98 HG13 VAL 98 -7.538 11.826 4.195 773 1HG2 VAL 98 HG21 VAL 98 -6.798 10.163 7.398 774 2HG2 VAL 98 HG22 VAL 98 -7.934 8.831 7.180 775 3HG2 VAL 98 HG23 VAL 98 -8.532 10.450 7.545 776 H PHE 99 HN PHE 99 -10.134 11.900 3.809 777 HA PHE 99 HA PHE 99 -11.543 12.845 6.183 778 1HB PHE 99 HB2 PHE 99 -11.238 14.205 3.498 779 2HB PHE 99 HB1 PHE 99 -11.858 14.934 4.969 780 HD1 PHE 99 HD1 PHE 99 -8.973 14.271 2.978 781 HD2 PHE 99 HD2 PHE 99 -10.264 15.213 6.920 782 HE1 PHE 99 HE1 PHE 99 -6.716 15.087 3.517 783 HE2 PHE 99 HE2 PHE 99 -8.012 16.027 7.465 784 HZ PHE 99 HZ PHE 99 -6.235 15.968 5.763 785 H LYS 100 HN LYS 100 -12.240 11.812 2.855 786 HA LYS 100 HA LYS 100 -15.093 12.414 3.366 787 1HB LYS 100 HB2 LYS 100 -15.232 12.954 0.912 788 2HB LYS 100 HB1 LYS 100 -14.275 14.077 1.865 789 1HG LYS 100 HG2 LYS 100 -12.971 13.802 -0.011 790 2HG LYS 100 HG1 LYS 100 -12.264 12.626 1.094 791 1HD LYS 100 HD2 LYS 100 -13.604 10.851 0.030 792 2HD LYS 100 HD1 LYS 100 -14.256 12.044 -1.099 793 1HE LYS 100 HE2 LYS 100 -11.460 10.978 -0.884 794 2HE LYS 100 HE1 LYS 100 -12.535 10.987 -2.279 795 1HZ LYS 100 HZ1 LYS 100 -11.025 12.654 -2.735 796 2HZ LYS 100 HZ2 LYS 100 -10.965 13.200 -1.131 797 3HZ LYS 100 HZ3 LYS 100 -12.331 13.526 -2.087 798 H SER 101 HN SER 101 -13.696 9.930 3.736 799 HA SER 101 HA SER 101 -14.081 8.341 1.385 800 1HB SER 101 HB2 SER 101 -13.267 6.526 3.039 801 2HB SER 101 HB1 SER 101 -12.159 7.809 2.547 802 HG SER 101 HG SER 101 -11.946 7.956 4.658 803 H SER 102 HN SER 102 -15.606 6.930 0.932 804 HA SER 102 HA SER 102 -17.384 5.563 1.037 805 1HB SER 102 HB2 SER 102 -16.380 4.743 3.148 806 2HB SER 102 HB1 SER 102 -17.367 5.898 4.035 807 HG SER 102 HG SER 102 -19.076 4.680 3.719 808 H ILE 103 HN ILE 103 -18.960 6.456 0.106 809 HA ILE 103 HA ILE 103 -20.872 8.084 1.588 810 HB ILE 103 HB ILE 103 -19.776 8.952 -1.103 811 1HG1 ILE 103 HG12 ILE 103 -19.548 10.329 1.587 812 2HG1 ILE 103 HG11 ILE 103 -18.245 9.448 0.797 813 1HG2 ILE 103 HG21 ILE 103 -22.148 9.397 -0.913 814 2HG2 ILE 103 HG22 ILE 103 -21.245 10.908 -0.810 815 3HG2 ILE 103 HG23 ILE 103 -21.904 10.175 0.652 816 1HD1 ILE 103 HD11 ILE 103 -19.599 11.918 -0.264 817 2HD1 ILE 103 HD12 ILE 103 -18.289 11.037 -1.050 818 3HD1 ILE 103 HD13 ILE 103 -18.007 11.843 0.493 Start of MODEL 13 1 1H MET 1 HT1 MET 1 16.441 13.202 -11.165 2 2H MET 1 HT2 MET 1 15.636 12.276 -10.002 3 3H MET 1 HT3 MET 1 16.414 11.511 -11.301 4 HA MET 1 HA MET 1 18.552 12.317 -10.506 5 1HB MET 1 HB2 MET 1 16.852 13.370 -8.242 6 2HB MET 1 HB1 MET 1 18.594 13.185 -8.132 7 1HG MET 1 HG2 MET 1 18.942 14.793 -9.859 8 2HG MET 1 HG1 MET 1 17.214 14.874 -10.198 9 1HE MET 1 HE1 MET 1 18.753 14.609 -6.614 10 2HE MET 1 HE2 MET 1 19.022 16.302 -6.201 11 3HE MET 1 HE3 MET 1 19.980 15.543 -7.472 12 H ALA 2 HN ALA 2 16.423 11.462 -7.785 13 HA ALA 2 HA ALA 2 17.921 8.932 -7.568 14 1HB ALA 2 HB1 ALA 2 18.190 10.441 -5.659 15 2HB ALA 2 HB2 ALA 2 17.355 8.957 -5.198 16 3HB ALA 2 HB3 ALA 2 16.442 10.449 -5.424 17 H THR 3 HN THR 3 15.047 10.147 -8.601 18 HA THR 3 HA THR 3 13.226 8.227 -7.540 19 HB THR 3 HB THR 3 12.869 9.821 -10.079 20 HG1 THR 3 HG1 THR 3 11.648 11.044 -8.100 21 1HG2 THR 3 HG21 THR 3 10.482 9.682 -9.479 22 2HG2 THR 3 HG22 THR 3 10.901 8.698 -8.076 23 3HG2 THR 3 HG23 THR 3 11.198 8.085 -9.703 24 H GLU 4 HN GLU 4 14.082 6.199 -7.901 25 HA GLU 4 HA GLU 4 14.367 5.346 -10.702 26 1HB GLU 4 HB2 GLU 4 15.254 3.938 -8.170 27 2HB GLU 4 HB1 GLU 4 15.596 3.429 -9.817 28 1HG GLU 4 HG2 GLU 4 16.962 5.395 -10.172 29 2HG GLU 4 HG1 GLU 4 16.570 5.982 -8.557 30 HA PRO 5 HA PRO 5 10.644 2.893 -10.184 31 1HB PRO 5 HB2 PRO 5 11.797 0.904 -12.002 32 2HB PRO 5 HB1 PRO 5 10.385 1.939 -12.235 33 1HG PRO 5 HG2 PRO 5 12.689 2.293 -13.607 34 2HG PRO 5 HG1 PRO 5 11.624 3.641 -13.166 35 1HD PRO 5 HD2 PRO 5 14.177 2.739 -11.891 36 2HD PRO 5 HD1 PRO 5 13.591 4.388 -12.199 37 HA PRO 6 HA PRO 6 12.722 0.298 -7.116 38 1HB PRO 6 HB2 PRO 6 10.078 0.274 -5.833 39 2HB PRO 6 HB1 PRO 6 11.604 0.919 -5.228 40 1HG PRO 6 HG2 PRO 6 9.618 2.554 -5.947 41 2HG PRO 6 HG1 PRO 6 11.308 2.967 -6.283 42 1HD PRO 6 HD2 PRO 6 9.272 1.744 -8.131 43 2HD PRO 6 HD1 PRO 6 10.346 3.135 -8.417 44 H LYS 7 HN LYS 7 12.368 -1.856 -6.152 45 HA LYS 7 HA LYS 7 10.641 -3.557 -7.832 46 1HB LYS 7 HB2 LYS 7 13.098 -4.568 -6.403 47 2HB LYS 7 HB1 LYS 7 12.194 -5.344 -7.682 48 1HG LYS 7 HG2 LYS 7 13.821 -2.858 -8.105 49 2HG LYS 7 HG1 LYS 7 14.466 -4.488 -8.291 50 1HD LYS 7 HD2 LYS 7 13.744 -4.436 -10.395 51 2HD LYS 7 HD1 LYS 7 12.093 -4.460 -9.762 52 1HE LYS 7 HE2 LYS 7 12.455 -2.589 -11.300 53 2HE LYS 7 HE1 LYS 7 12.066 -2.049 -9.664 54 1HZ LYS 7 HZ1 LYS 7 13.836 -0.713 -10.356 55 2HZ LYS 7 HZ2 LYS 7 14.700 -2.008 -11.028 56 3HZ LYS 7 HZ3 LYS 7 14.558 -1.861 -9.344 57 H ILE 8 HN ILE 8 8.928 -3.326 -6.281 58 HA ILE 8 HA ILE 8 9.603 -4.109 -3.581 59 HB ILE 8 HB ILE 8 6.959 -3.195 -4.728 60 1HG1 ILE 8 HG12 ILE 8 7.287 -1.402 -2.956 61 2HG1 ILE 8 HG11 ILE 8 8.933 -1.990 -2.776 62 1HG2 ILE 8 HG21 ILE 8 6.141 -3.316 -2.420 63 2HG2 ILE 8 HG22 ILE 8 7.671 -4.054 -1.942 64 3HG2 ILE 8 HG23 ILE 8 6.591 -4.902 -3.050 65 1HD1 ILE 8 HD11 ILE 8 9.391 -1.415 -5.083 66 2HD1 ILE 8 HD12 ILE 8 8.831 -0.022 -4.155 67 3HD1 ILE 8 HD13 ILE 8 7.733 -0.840 -5.270 68 H VAL 9 HN VAL 9 9.515 -6.088 -2.884 69 HA VAL 9 HA VAL 9 8.383 -8.147 -4.642 70 HB VAL 9 HB VAL 9 10.235 -8.526 -2.286 71 1HG1 VAL 9 HG11 VAL 9 10.772 -10.650 -3.349 72 2HG1 VAL 9 HG12 VAL 9 9.643 -10.293 -4.655 73 3HG1 VAL 9 HG13 VAL 9 9.044 -10.534 -3.013 74 1HG2 VAL 9 HG21 VAL 9 12.057 -8.644 -3.943 75 2HG2 VAL 9 HG22 VAL 9 11.319 -7.044 -3.839 76 3HG2 VAL 9 HG23 VAL 9 10.922 -8.115 -5.186 77 H TRP 10 HN TRP 10 6.962 -9.706 -3.854 78 HA TRP 10 HA TRP 10 5.537 -8.897 -1.447 79 1HB TRP 10 HB2 TRP 10 4.184 -9.308 -3.411 80 2HB TRP 10 HB1 TRP 10 4.850 -10.932 -3.578 81 HD1 TRP 10 HD1 TRP 10 3.736 -9.544 -0.190 82 HE1 TRP 10 HE1 TRP 10 1.740 -10.901 0.658 83 HE3 TRP 10 HE3 TRP 10 2.884 -12.375 -4.356 84 HZ2 TRP 10 HZ2 TRP 10 0.000 -12.916 -0.322 85 HZ3 TRP 10 HZ3 TRP 10 1.032 -13.992 -4.320 86 HH2 TRP 10 HH2 TRP 10 -0.379 -14.257 -2.345 87 H ASN 11 HN ASN 11 6.174 -9.680 0.389 88 HA ASN 11 HA ASN 11 7.470 -12.279 0.572 89 1HB ASN 11 HB2 ASN 11 8.158 -10.110 1.848 90 2HB ASN 11 HB1 ASN 11 6.809 -10.498 2.907 91 1HD2 ASN 11 HD21 ASN 11 6.951 -12.245 4.268 92 2HD2 ASN 11 HD22 ASN 11 8.437 -13.083 4.562 93 H GLU 12 HN GLU 12 5.736 -13.570 0.010 94 HA GLU 12 HA GLU 12 3.102 -13.309 0.733 95 1HB GLU 12 HB2 GLU 12 2.928 -15.762 0.170 96 2HB GLU 12 HB1 GLU 12 3.646 -14.735 -1.061 97 1HG GLU 12 HG2 GLU 12 5.838 -15.508 -0.534 98 2HG GLU 12 HG1 GLU 12 5.252 -16.358 0.896 99 H GLY 13 HN GLY 13 5.633 -15.004 2.563 100 1HA GLY 13 HA2 GLY 13 3.870 -16.541 4.150 101 2HA GLY 13 HA1 GLY 13 5.547 -16.184 4.526 102 H LYS 14 HN LYS 14 4.754 -13.230 4.301 103 HA LYS 14 HA LYS 14 3.685 -13.052 7.042 104 1HB LYS 14 HB2 LYS 14 5.732 -11.386 5.598 105 2HB LYS 14 HB1 LYS 14 4.902 -10.784 7.021 106 1HG LYS 14 HG2 LYS 14 7.078 -11.657 7.598 107 2HG LYS 14 HG1 LYS 14 5.812 -12.634 8.338 108 1HD LYS 14 HD2 LYS 14 6.129 -14.377 6.731 109 2HD LYS 14 HD1 LYS 14 7.204 -13.364 5.765 110 1HE LYS 14 HE2 LYS 14 8.834 -13.350 7.537 111 2HE LYS 14 HE1 LYS 14 7.767 -14.280 8.583 112 1HZ LYS 14 HZ1 LYS 14 9.068 -15.180 6.072 113 2HZ LYS 14 HZ2 LYS 14 7.893 -16.084 6.889 114 3HZ LYS 14 HZ3 LYS 14 9.372 -15.743 7.644 115 H ARG 15 HN ARG 15 2.828 -12.631 3.940 116 HA ARG 15 HA ARG 15 1.185 -11.525 2.824 117 1HB ARG 15 HB2 ARG 15 0.242 -10.800 5.606 118 2HB ARG 15 HB1 ARG 15 -0.693 -10.595 4.131 119 1HG ARG 15 HG2 ARG 15 -0.681 -13.011 3.788 120 2HG ARG 15 HG1 ARG 15 0.264 -13.205 5.268 121 1HD ARG 15 HD2 ARG 15 -1.537 -12.244 6.577 122 2HD ARG 15 HD1 ARG 15 -2.476 -11.962 5.113 123 HE ARG 15 HE ARG 15 -2.031 -14.631 5.051 124 1HH1 ARG 15 HH11 ARG 15 -3.198 -12.505 7.574 125 2HH1 ARG 15 HH12 ARG 15 -4.334 -13.662 8.207 126 1HH2 ARG 15 HH21 ARG 15 -3.506 -16.173 5.887 127 2HH2 ARG 15 HH22 ARG 15 -4.525 -15.741 7.233 128 H ARG 16 HN ARG 16 3.488 -10.175 2.789 129 HA ARG 16 HA ARG 16 2.636 -7.396 2.945 130 1HB ARG 16 HB2 ARG 16 4.868 -6.861 4.056 131 2HB ARG 16 HB1 ARG 16 3.577 -7.486 5.063 132 1HG ARG 16 HG2 ARG 16 4.576 -9.634 5.160 133 2HG ARG 16 HG1 ARG 16 5.727 -9.222 3.886 134 1HD ARG 16 HD2 ARG 16 5.606 -7.911 6.591 135 2HD ARG 16 HD1 ARG 16 6.719 -9.204 6.148 136 HE ARG 16 HE ARG 16 6.760 -6.835 4.472 137 1HH1 ARG 16 HH11 ARG 16 8.191 -8.510 7.201 138 2HH1 ARG 16 HH12 ARG 16 9.744 -7.743 7.001 139 1HH2 ARG 16 HH21 ARG 16 8.799 -5.853 4.214 140 2HH2 ARG 16 HH22 ARG 16 10.091 -6.259 5.299 141 H PHE 17 HN PHE 17 4.290 -5.914 2.100 142 HA PHE 17 HA PHE 17 5.823 -7.178 -0.088 143 1HB PHE 17 HB2 PHE 17 4.723 -4.364 0.058 144 2HB PHE 17 HB1 PHE 17 5.630 -5.045 -1.284 145 HD1 PHE 17 HD1 PHE 17 2.490 -4.120 -0.341 146 HD2 PHE 17 HD2 PHE 17 4.533 -7.455 -2.015 147 HE1 PHE 17 HE1 PHE 17 0.384 -4.897 -1.351 148 HE2 PHE 17 HE2 PHE 17 2.433 -8.234 -3.026 149 HZ PHE 17 HZ PHE 17 0.356 -6.910 -2.732 150 H GLU 18 HN GLU 18 7.843 -6.099 -0.660 151 HA GLU 18 HA GLU 18 9.021 -4.279 1.290 152 1HB GLU 18 HB2 GLU 18 9.387 -6.764 1.979 153 2HB GLU 18 HB1 GLU 18 10.492 -6.814 0.614 154 1HG GLU 18 HG2 GLU 18 11.833 -5.060 1.598 155 2HG GLU 18 HG1 GLU 18 10.714 -4.945 2.956 156 H THR 19 HN THR 19 10.077 -2.770 0.183 157 HA THR 19 HA THR 19 10.450 -2.885 -2.598 158 HB THR 19 HB THR 19 10.289 -0.778 -1.254 159 HG1 THR 19 HG1 THR 19 11.209 0.090 -2.949 160 1HG2 THR 19 HG21 THR 19 11.711 -1.324 0.601 161 2HG2 THR 19 HG22 THR 19 12.376 0.084 -0.232 162 3HG2 THR 19 HG23 THR 19 13.104 -1.506 -0.464 163 H GLU 20 HN GLU 20 12.688 -2.503 -3.612 164 HA GLU 20 HA GLU 20 14.313 -4.781 -3.200 165 1HB GLU 20 HB2 GLU 20 15.788 -3.819 -4.869 166 2HB GLU 20 HB1 GLU 20 14.117 -3.602 -5.366 167 1HG GLU 20 HG2 GLU 20 14.204 -1.287 -4.514 168 2HG GLU 20 HG1 GLU 20 15.912 -1.525 -4.144 169 H ASP 21 HN ASP 21 14.027 -2.007 -1.490 170 HA ASP 21 HA ASP 21 16.839 -1.830 -0.711 171 1HB ASP 21 HB2 ASP 21 15.448 0.223 -1.219 172 2HB ASP 21 HB1 ASP 21 14.509 -0.140 0.221 173 H HIS 22 HN HIS 22 13.846 -3.119 0.234 174 HA HIS 22 HA HIS 22 13.258 -4.635 1.792 175 1HB HIS 22 HB2 HIS 22 16.187 -4.584 2.538 176 2HB HIS 22 HB1 HIS 22 15.010 -5.741 3.153 177 HD1 HIS 22 HD1 HIS 22 13.902 -7.341 1.305 178 HD2 HIS 22 HD2 HIS 22 17.284 -5.226 0.120 179 HE1 HIS 22 HE1 HIS 22 14.719 -8.479 -0.788 180 HE2 HIS 22 HE2 HIS 22 16.895 -7.335 -1.331 181 H GLU 23 HN GLU 23 14.743 -1.701 2.718 182 HA GLU 23 HA GLU 23 14.029 -1.963 5.517 183 1HB GLU 23 HB2 GLU 23 15.014 0.511 4.103 184 2HB GLU 23 HB1 GLU 23 15.105 0.142 5.819 185 1HG GLU 23 HG2 GLU 23 16.601 -1.308 3.642 186 2HG GLU 23 HG1 GLU 23 17.272 -0.057 4.690 187 H ALA 24 HN ALA 24 12.609 -0.986 2.627 188 HA ALA 24 HA ALA 24 10.469 0.441 4.055 189 1HB ALA 24 HB1 ALA 24 9.835 1.422 1.918 190 2HB ALA 24 HB2 ALA 24 11.115 0.518 1.109 191 3HB ALA 24 HB3 ALA 24 11.526 1.772 2.277 192 H PHE 25 HN PHE 25 8.506 -0.490 4.132 193 HA PHE 25 HA PHE 25 7.798 -2.612 2.313 194 1HB PHE 25 HB2 PHE 25 7.469 -4.274 4.134 195 2HB PHE 25 HB1 PHE 25 9.162 -3.889 3.833 196 HD1 PHE 25 HD1 PHE 25 6.383 -3.647 6.190 197 HD2 PHE 25 HD2 PHE 25 10.457 -2.644 5.479 198 HE1 PHE 25 HE1 PHE 25 6.667 -3.128 8.576 199 HE2 PHE 25 HE2 PHE 25 10.746 -2.118 7.867 200 HZ PHE 25 HZ PHE 25 8.846 -2.363 9.420 201 H ILE 26 HN ILE 26 5.675 -3.524 2.800 202 HA ILE 26 HA ILE 26 4.001 -1.926 4.579 203 HB ILE 26 HB ILE 26 3.939 -1.584 1.795 204 1HG1 ILE 26 HG12 ILE 26 1.982 -0.897 3.989 205 2HG1 ILE 26 HG11 ILE 26 3.306 0.087 3.373 206 1HG2 ILE 26 HG21 ILE 26 1.501 -3.150 2.662 207 2HG2 ILE 26 HG22 ILE 26 2.723 -3.685 1.511 208 3HG2 ILE 26 HG23 ILE 26 1.694 -2.308 1.124 209 1HD1 ILE 26 HD11 ILE 26 0.834 -0.682 1.846 210 2HD1 ILE 26 HD12 ILE 26 2.150 0.332 1.254 211 3HD1 ILE 26 HD13 ILE 26 1.147 0.884 2.596 212 H GLU 27 HN GLU 27 2.482 -3.143 5.642 213 HA GLU 27 HA GLU 27 2.446 -6.016 4.971 214 1HB GLU 27 HB2 GLU 27 3.187 -5.436 7.270 215 2HB GLU 27 HB1 GLU 27 1.647 -4.636 7.556 216 1HG GLU 27 HG2 GLU 27 0.506 -6.808 7.194 217 2HG GLU 27 HG1 GLU 27 2.084 -7.573 7.037 218 H TYR 28 HN TYR 28 0.346 -7.128 4.942 219 HA TYR 28 HA TYR 28 -1.981 -5.479 5.359 220 1HB TYR 28 HB2 TYR 28 -2.980 -5.760 3.184 221 2HB TYR 28 HB1 TYR 28 -1.406 -5.012 2.985 222 HD1 TYR 28 HD1 TYR 28 -3.380 -8.058 2.448 223 HD2 TYR 28 HD2 TYR 28 0.366 -6.146 1.803 224 HE1 TYR 28 HE1 TYR 28 -2.817 -9.745 0.755 225 HE2 TYR 28 HE2 TYR 28 0.943 -7.837 0.114 226 HH TYR 28 HH TYR 28 0.338 -10.056 -0.563 227 H LYS 29 HN LYS 29 -3.894 -6.651 5.575 228 HA LYS 29 HA LYS 29 -3.535 -9.542 5.752 229 1HB LYS 29 HB2 LYS 29 -4.817 -9.519 7.920 230 2HB LYS 29 HB1 LYS 29 -3.173 -8.914 8.005 231 1HG LYS 29 HG2 LYS 29 -5.633 -7.185 7.874 232 2HG LYS 29 HG1 LYS 29 -4.814 -7.649 9.362 233 1HD LYS 29 HD2 LYS 29 -3.826 -5.881 7.141 234 2HD LYS 29 HD1 LYS 29 -4.064 -5.472 8.838 235 1HE LYS 29 HE2 LYS 29 -1.999 -7.426 7.827 236 2HE LYS 29 HE1 LYS 29 -1.679 -5.731 8.173 237 1HZ LYS 29 HZ1 LYS 29 -2.467 -7.844 10.099 238 2HZ LYS 29 HZ2 LYS 29 -2.439 -6.192 10.487 239 3HZ LYS 29 HZ3 LYS 29 -1.003 -6.981 10.038 240 H MET 30 HN MET 30 -5.428 -10.757 5.553 241 HA MET 30 HA MET 30 -7.240 -9.326 3.762 242 1HB MET 30 HB2 MET 30 -6.899 -12.318 4.155 243 2HB MET 30 HB1 MET 30 -7.731 -11.509 2.834 244 1HG MET 30 HG2 MET 30 -5.711 -10.655 1.954 245 2HG MET 30 HG1 MET 30 -4.806 -11.145 3.384 246 1HE MET 30 HE1 MET 30 -6.550 -14.126 0.315 247 2HE MET 30 HE2 MET 30 -6.741 -12.377 0.198 248 3HE MET 30 HE3 MET 30 -7.553 -13.268 1.485 249 H ARG 31 HN ARG 31 -8.963 -8.604 4.625 250 HA ARG 31 HA ARG 31 -10.268 -9.720 6.952 251 1HB ARG 31 HB2 ARG 31 -10.552 -7.308 5.220 252 2HB ARG 31 HB1 ARG 31 -11.937 -7.803 6.176 253 1HG ARG 31 HG2 ARG 31 -10.605 -6.035 7.202 254 2HG ARG 31 HG1 ARG 31 -10.686 -7.481 8.210 255 1HD ARG 31 HD2 ARG 31 -8.454 -8.090 7.561 256 2HD ARG 31 HD1 ARG 31 -8.411 -6.781 6.372 257 HE ARG 31 HE ARG 31 -8.303 -5.200 8.141 258 1HH1 ARG 31 HH11 ARG 31 -8.079 -8.529 9.233 259 2HH1 ARG 31 HH12 ARG 31 -7.314 -8.112 10.739 260 1HH2 ARG 31 HH21 ARG 31 -7.302 -4.647 10.095 261 2HH2 ARG 31 HH22 ARG 31 -6.860 -5.893 11.232 262 H ASN 32 HN ASN 32 -12.597 -10.138 6.917 263 HA ASN 32 HA ASN 32 -14.535 -11.040 6.135 264 1HB ASN 32 HB2 ASN 32 -14.100 -8.862 4.637 265 2HB ASN 32 HB1 ASN 32 -14.013 -10.076 3.364 266 1HD2 ASN 32 HD21 ASN 32 -15.999 -8.570 5.766 267 2HD2 ASN 32 HD22 ASN 32 -17.523 -9.101 5.137 268 H ASN 33 HN ASN 33 -12.588 -12.847 6.280 269 HA ASN 33 HA ASN 33 -12.157 -14.993 5.695 270 1HB ASN 33 HB2 ASN 33 -14.369 -15.430 5.009 271 2HB ASN 33 HB1 ASN 33 -14.229 -14.402 3.590 272 1HD2 ASN 33 HD21 ASN 33 -13.521 -15.247 1.723 273 2HD2 ASN 33 HD22 ASN 33 -13.064 -16.902 1.500 274 H GLY 34 HN GLY 34 -11.418 -12.315 3.902 275 1HA GLY 34 HA2 GLY 34 -9.140 -12.263 3.016 276 2HA GLY 34 HA1 GLY 34 -9.454 -13.834 2.302 277 H LYS 35 HN LYS 35 -11.687 -11.122 2.328 278 HA LYS 35 HA LYS 35 -11.364 -10.911 -0.596 279 1HB LYS 35 HB2 LYS 35 -13.871 -10.491 1.041 280 2HB LYS 35 HB1 LYS 35 -13.742 -10.282 -0.700 281 1HG LYS 35 HG2 LYS 35 -13.350 -12.850 0.809 282 2HG LYS 35 HG1 LYS 35 -14.770 -12.409 -0.145 283 1HD LYS 35 HD2 LYS 35 -13.327 -12.244 -2.149 284 2HD LYS 35 HD1 LYS 35 -11.960 -12.789 -1.179 285 1HE LYS 35 HE2 LYS 35 -12.848 -14.649 -2.419 286 2HE LYS 35 HE1 LYS 35 -13.180 -14.883 -0.703 287 1HZ LYS 35 HZ1 LYS 35 -15.134 -13.802 -2.662 288 2HZ LYS 35 HZ2 LYS 35 -15.436 -14.197 -1.040 289 3HZ LYS 35 HZ3 LYS 35 -15.076 -15.418 -2.157 290 H VAL 36 HN VAL 36 -10.744 -9.402 2.201 291 HA VAL 36 HA VAL 36 -10.750 -6.759 0.913 292 HB VAL 36 HB VAL 36 -11.572 -7.403 3.751 293 1HG1 VAL 36 HG11 VAL 36 -10.049 -5.497 3.780 294 2HG1 VAL 36 HG12 VAL 36 -11.700 -4.975 4.115 295 3HG1 VAL 36 HG13 VAL 36 -10.996 -4.705 2.520 296 1HG2 VAL 36 HG21 VAL 36 -12.986 -5.949 1.518 297 2HG2 VAL 36 HG22 VAL 36 -13.608 -6.183 3.153 298 3HG2 VAL 36 HG23 VAL 36 -13.349 -7.574 2.098 299 H MET 37 HN MET 37 -8.736 -5.958 0.830 300 HA MET 37 HA MET 37 -6.705 -7.212 2.517 301 1HB MET 37 HB2 MET 37 -6.720 -5.899 -0.132 302 2HB MET 37 HB1 MET 37 -5.312 -5.550 0.860 303 1HG MET 37 HG2 MET 37 -4.924 -7.420 -0.641 304 2HG MET 37 HG1 MET 37 -4.824 -7.911 1.048 305 1HE MET 37 HE1 MET 37 -4.927 -10.446 0.072 306 2HE MET 37 HE2 MET 37 -5.137 -9.819 -1.561 307 3HE MET 37 HE3 MET 37 -6.256 -11.029 -0.930 308 H ASP 38 HN ASP 38 -6.384 -6.275 4.385 309 HA ASP 38 HA ASP 38 -6.746 -3.411 4.686 310 1HB ASP 38 HB2 ASP 38 -7.315 -5.360 6.372 311 2HB ASP 38 HB1 ASP 38 -5.619 -5.200 6.808 312 H LEU 39 HN LEU 39 -5.162 -2.197 3.938 313 HA LEU 39 HA LEU 39 -2.435 -3.152 3.839 314 1HB LEU 39 HB2 LEU 39 -3.821 -0.648 2.910 315 2HB LEU 39 HB1 LEU 39 -2.073 -0.737 2.952 316 HG LEU 39 HG LEU 39 -2.008 -2.424 1.304 317 1HD1 LEU 39 HD11 LEU 39 -3.856 -3.815 2.023 318 2HD1 LEU 39 HD12 LEU 39 -3.993 -3.429 0.308 319 3HD1 LEU 39 HD13 LEU 39 -5.006 -2.591 1.483 320 1HD2 LEU 39 HD21 LEU 39 -2.339 -0.164 0.480 321 2HD2 LEU 39 HD22 LEU 39 -4.087 -0.383 0.550 322 3HD2 LEU 39 HD23 LEU 39 -3.124 -1.337 -0.576 323 H VAL 40 HN VAL 40 -1.414 -3.185 5.715 324 HA VAL 40 HA VAL 40 -1.874 -0.960 7.576 325 HB VAL 40 HB VAL 40 -1.300 -3.874 8.083 326 1HG1 VAL 40 HG11 VAL 40 -1.169 -1.646 10.106 327 2HG1 VAL 40 HG12 VAL 40 0.206 -2.570 9.501 328 3HG1 VAL 40 HG13 VAL 40 -1.048 -3.374 10.444 329 1HG2 VAL 40 HG21 VAL 40 -3.631 -3.242 7.824 330 2HG2 VAL 40 HG22 VAL 40 -3.446 -1.996 9.057 331 3HG2 VAL 40 HG23 VAL 40 -3.297 -3.698 9.494 332 H HIS 41 HN HIS 41 -0.219 0.367 7.774 333 HA HIS 41 HA HIS 41 1.816 1.041 8.500 334 1HB HIS 41 HB2 HIS 41 1.877 -1.189 9.700 335 2HB HIS 41 HB1 HIS 41 2.754 -1.820 8.318 336 HD1 HIS 41 HD1 HIS 41 3.469 -0.959 11.535 337 HD2 HIS 41 HD2 HIS 41 5.144 0.227 7.920 338 HE1 HIS 41 HE1 HIS 41 5.767 -0.108 12.099 339 HE2 HIS 41 HE2 HIS 41 6.844 0.345 9.870 340 H THR 42 HN THR 42 2.235 2.251 6.680 341 HA THR 42 HA THR 42 3.934 1.043 4.636 342 HB THR 42 HB THR 42 2.308 2.856 4.000 343 HG1 THR 42 HG1 THR 42 3.679 3.420 2.492 344 1HG2 THR 42 HG21 THR 42 4.160 4.584 5.652 345 2HG2 THR 42 HG22 THR 42 2.466 4.232 6.006 346 3HG2 THR 42 HG23 THR 42 2.890 5.183 4.581 347 H TYR 43 HN TYR 43 6.160 1.263 4.609 348 HA TYR 43 HA TYR 43 7.344 3.189 6.456 349 1HB TYR 43 HB2 TYR 43 7.210 0.825 7.478 350 2HB TYR 43 HB1 TYR 43 8.477 0.408 6.323 351 HD1 TYR 43 HD1 TYR 43 7.822 3.326 8.592 352 HD2 TYR 43 HD2 TYR 43 10.542 0.343 7.265 353 HE1 TYR 43 HE1 TYR 43 9.533 4.208 10.123 354 HE2 TYR 43 HE2 TYR 43 12.251 1.209 8.781 355 HH TYR 43 HH TYR 43 11.558 3.489 11.245 356 H VAL 44 HN VAL 44 9.366 3.939 5.857 357 HA VAL 44 HA VAL 44 10.789 2.837 3.631 358 HB VAL 44 HB VAL 44 9.002 4.010 2.417 359 1HG1 VAL 44 HG11 VAL 44 8.818 6.450 2.494 360 2HG1 VAL 44 HG12 VAL 44 9.997 6.497 3.804 361 3HG1 VAL 44 HG13 VAL 44 8.434 5.716 4.051 362 1HG2 VAL 44 HG21 VAL 44 11.208 3.875 1.413 363 2HG2 VAL 44 HG22 VAL 44 11.668 5.391 2.189 364 3HG2 VAL 44 HG23 VAL 44 10.403 5.378 0.960 365 HA PRO 45 HA PRO 45 13.999 4.883 5.987 366 1HB PRO 45 HB2 PRO 45 15.663 4.621 3.582 367 2HB PRO 45 HB1 PRO 45 15.881 3.905 5.181 368 1HG PRO 45 HG2 PRO 45 15.166 2.445 3.033 369 2HG PRO 45 HG1 PRO 45 14.618 2.061 4.674 370 1HD PRO 45 HD2 PRO 45 13.147 3.396 2.446 371 2HD PRO 45 HD1 PRO 45 12.562 2.230 3.651 372 H SER 46 HN SER 46 15.576 6.675 5.709 373 HA SER 46 HA SER 46 14.207 8.983 4.906 374 1HB SER 46 HB2 SER 46 17.154 8.627 5.496 375 2HB SER 46 HB1 SER 46 16.286 10.165 5.468 376 HG SER 46 HG SER 46 15.035 8.350 7.060 377 H PHE 47 HN PHE 47 16.174 6.848 3.107 378 HA PHE 47 HA PHE 47 17.195 8.636 1.172 379 1HB PHE 47 HB2 PHE 47 16.610 5.687 0.851 380 2HB PHE 47 HB1 PHE 47 17.704 6.651 -0.134 381 HD1 PHE 47 HD1 PHE 47 17.375 4.585 2.741 382 HD2 PHE 47 HD2 PHE 47 19.727 7.688 1.029 383 HE1 PHE 47 HE1 PHE 47 19.220 4.014 4.260 384 HE2 PHE 47 HE2 PHE 47 21.581 7.119 2.545 385 HZ PHE 47 HZ PHE 47 21.329 5.282 4.164 386 H LYS 48 HN LYS 48 14.079 7.125 1.578 387 HA LYS 48 HA LYS 48 13.257 8.143 -1.050 388 1HB LYS 48 HB2 LYS 48 12.859 5.325 -0.038 389 2HB LYS 48 HB1 LYS 48 11.970 5.995 -1.398 390 1HG LYS 48 HG2 LYS 48 14.021 6.306 -2.637 391 2HG LYS 48 HG1 LYS 48 14.969 5.747 -1.259 392 1HD LYS 48 HD2 LYS 48 12.875 4.050 -2.602 393 2HD LYS 48 HD1 LYS 48 14.563 4.059 -3.106 394 1HE LYS 48 HE2 LYS 48 13.544 3.337 -0.356 395 2HE LYS 48 HE1 LYS 48 14.082 2.200 -1.591 396 1HZ LYS 48 HZ1 LYS 48 16.290 3.083 -1.473 397 2HZ LYS 48 HZ2 LYS 48 15.793 2.686 0.104 398 3HZ LYS 48 HZ3 LYS 48 15.806 4.303 -0.405 399 H ARG 49 HN ARG 49 12.730 8.937 1.817 400 HA ARG 49 HA ARG 49 10.109 8.195 2.560 401 1HB ARG 49 HB2 ARG 49 11.663 10.699 3.232 402 2HB ARG 49 HB1 ARG 49 10.141 10.243 3.985 403 1HG ARG 49 HG2 ARG 49 11.194 8.199 4.834 404 2HG ARG 49 HG1 ARG 49 12.723 8.703 4.112 405 1HD ARG 49 HD2 ARG 49 12.834 9.324 6.388 406 2HD ARG 49 HD1 ARG 49 12.537 10.810 5.487 407 HE ARG 49 HE ARG 49 10.081 9.715 6.312 408 1HH1 ARG 49 HH11 ARG 49 12.901 11.343 7.590 409 2HH1 ARG 49 HH12 ARG 49 12.061 11.979 8.976 410 1HH2 ARG 49 HH21 ARG 49 8.980 10.513 8.151 411 2HH2 ARG 49 HH22 ARG 49 9.849 11.469 9.317 412 H GLY 50 HN GLY 50 11.227 11.278 1.162 413 1HA GLY 50 HA2 GLY 50 8.472 11.896 0.400 414 2HA GLY 50 HA1 GLY 50 9.842 12.995 0.331 415 H LEU 51 HN LEU 51 10.028 9.778 -0.962 416 HA LEU 51 HA LEU 51 10.423 10.948 -3.611 417 1HB LEU 51 HB2 LEU 51 12.113 9.377 -2.494 418 2HB LEU 51 HB1 LEU 51 10.957 8.097 -2.815 419 HG LEU 51 HG LEU 51 11.111 8.595 -5.237 420 1HD1 LEU 51 HD11 LEU 51 13.305 10.482 -4.389 421 2HD1 LEU 51 HD12 LEU 51 11.745 10.944 -5.075 422 3HD1 LEU 51 HD13 LEU 51 12.904 10.038 -6.050 423 1HD2 LEU 51 HD21 LEU 51 13.337 7.644 -5.559 424 2HD2 LEU 51 HD22 LEU 51 12.486 6.841 -4.237 425 3HD2 LEU 51 HD23 LEU 51 13.747 8.024 -3.887 426 H GLY 52 HN GLY 52 8.163 9.051 -1.810 427 1HA GLY 52 HA2 GLY 52 5.950 8.862 -2.906 428 2HA GLY 52 HA1 GLY 52 6.822 8.375 -4.352 429 H LEU 53 HN LEU 53 8.661 6.823 -2.471 430 HA LEU 53 HA LEU 53 7.756 4.351 -3.275 431 1HB LEU 53 HB2 LEU 53 10.076 5.004 -2.574 432 2HB LEU 53 HB1 LEU 53 9.549 4.867 -0.911 433 HG LEU 53 HG LEU 53 10.850 2.904 -1.934 434 1HD1 LEU 53 HD11 LEU 53 9.731 2.738 0.206 435 2HD1 LEU 53 HD12 LEU 53 9.526 1.246 -0.711 436 3HD1 LEU 53 HD13 LEU 53 8.198 2.400 -0.597 437 1HD2 LEU 53 HD21 LEU 53 8.147 2.392 -3.167 438 2HD2 LEU 53 HD22 LEU 53 9.504 1.264 -3.143 439 3HD2 LEU 53 HD23 LEU 53 9.631 2.779 -4.036 440 H ALA 54 HN ALA 54 7.329 5.861 -0.074 441 HA ALA 54 HA ALA 54 6.171 3.742 1.271 442 1HB ALA 54 HB1 ALA 54 5.435 6.653 1.535 443 2HB ALA 54 HB2 ALA 54 6.801 5.866 2.326 444 3HB ALA 54 HB3 ALA 54 5.152 5.394 2.737 445 H SER 55 HN SER 55 4.516 6.249 -0.621 446 HA SER 55 HA SER 55 1.957 5.075 -0.475 447 1HB SER 55 HB2 SER 55 3.052 6.961 -2.577 448 2HB SER 55 HB1 SER 55 1.350 6.671 -2.215 449 HG SER 55 HG SER 55 2.333 8.584 -1.217 450 H HIS 56 HN HIS 56 4.673 4.619 -2.673 451 HA HIS 56 HA HIS 56 3.319 3.194 -4.697 452 1HB HIS 56 HB2 HIS 56 6.186 3.261 -3.806 453 2HB HIS 56 HB1 HIS 56 5.661 2.026 -4.942 454 HD1 HIS 56 HD1 HIS 56 6.256 2.680 -7.229 455 HD2 HIS 56 HD2 HIS 56 5.094 5.960 -4.939 456 HE1 HIS 56 HE1 HIS 56 6.373 4.669 -8.774 457 HE2 HIS 56 HE2 HIS 56 5.655 6.642 -7.378 458 H LEU 57 HN LEU 57 4.600 2.233 -1.583 459 HA LEU 57 HA LEU 57 4.292 -0.553 -1.884 460 1HB LEU 57 HB2 LEU 57 4.065 1.131 0.616 461 2HB LEU 57 HB1 LEU 57 4.246 -0.613 0.576 462 HG LEU 57 HG LEU 57 6.295 1.296 -0.540 463 1HD1 LEU 57 HD11 LEU 57 7.575 0.858 1.476 464 2HD1 LEU 57 HD12 LEU 57 6.253 -0.117 2.118 465 3HD1 LEU 57 HD13 LEU 57 6.031 1.615 1.871 466 1HD2 LEU 57 HD21 LEU 57 6.423 -1.637 0.144 467 2HD2 LEU 57 HD22 LEU 57 7.751 -0.653 -0.471 468 3HD2 LEU 57 HD23 LEU 57 6.339 -0.962 -1.483 469 H CYS 58 HN CYS 58 2.119 1.978 -0.704 470 HA CYS 58 HA CYS 58 -0.091 0.324 -0.144 471 1HB CYS 58 HB2 CYS 58 0.084 2.661 0.622 472 2HB CYS 58 HB1 CYS 58 -0.075 3.215 -1.047 473 HG CYS 58 HG CYS 58 -2.665 1.513 -0.879 474 H VAL 59 HN VAL 59 0.906 1.995 -3.090 475 HA VAL 59 HA VAL 59 -1.327 1.344 -4.674 476 HB VAL 59 HB VAL 59 1.527 1.941 -5.463 477 1HG1 VAL 59 HG11 VAL 59 -0.928 1.838 -7.214 478 2HG1 VAL 59 HG12 VAL 59 0.417 0.698 -7.252 479 3HG1 VAL 59 HG13 VAL 59 0.675 2.381 -7.713 480 1HG2 VAL 59 HG21 VAL 59 -0.954 3.650 -5.408 481 2HG2 VAL 59 HG22 VAL 59 0.621 4.155 -6.020 482 3HG2 VAL 59 HG23 VAL 59 0.422 3.764 -4.313 483 H ALA 60 HN ALA 60 1.651 -0.395 -3.968 484 HA ALA 60 HA ALA 60 1.449 -2.412 -5.898 485 1HB ALA 60 HB1 ALA 60 3.464 -2.032 -4.554 486 2HB ALA 60 HB2 ALA 60 2.934 -3.711 -4.473 487 3HB ALA 60 HB3 ALA 60 2.616 -2.621 -3.125 488 H ALA 61 HN ALA 61 0.045 -2.190 -2.635 489 HA ALA 61 HA ALA 61 -1.105 -4.788 -2.733 490 1HB ALA 61 HB1 ALA 61 -1.845 -2.402 -1.053 491 2HB ALA 61 HB2 ALA 61 -0.707 -3.678 -0.618 492 3HB ALA 61 HB3 ALA 61 -2.421 -4.049 -0.802 493 H PHE 62 HN PHE 62 -2.185 -1.554 -3.627 494 HA PHE 62 HA PHE 62 -4.855 -2.112 -4.234 495 1HB PHE 62 HB2 PHE 62 -2.905 -0.131 -5.389 496 2HB PHE 62 HB1 PHE 62 -4.535 -0.283 -6.030 497 HD1 PHE 62 HD1 PHE 62 -6.132 -0.639 -3.602 498 HD2 PHE 62 HD2 PHE 62 -2.810 1.919 -4.344 499 HE1 PHE 62 HE1 PHE 62 -6.923 0.896 -1.835 500 HE2 PHE 62 HE2 PHE 62 -3.610 3.459 -2.604 501 HZ PHE 62 HZ PHE 62 -5.734 3.011 -1.440 502 H GLU 63 HN GLU 63 -2.022 -2.164 -6.368 503 HA GLU 63 HA GLU 63 -3.217 -3.012 -8.712 504 1HB GLU 63 HB2 GLU 63 -0.475 -3.579 -7.588 505 2HB GLU 63 HB1 GLU 63 -0.950 -4.043 -9.216 506 1HG GLU 63 HG2 GLU 63 -1.019 -1.218 -8.184 507 2HG GLU 63 HG1 GLU 63 0.334 -1.917 -9.070 508 H HIS 64 HN HIS 64 -2.217 -4.888 -5.931 509 HA HIS 64 HA HIS 64 -2.476 -7.450 -7.141 510 1HB HIS 64 HB2 HIS 64 -1.108 -7.083 -5.137 511 2HB HIS 64 HB1 HIS 64 -2.542 -6.645 -4.221 512 HD1 HIS 64 HD1 HIS 64 -0.540 -9.544 -5.342 513 HD2 HIS 64 HD2 HIS 64 -4.269 -8.863 -3.622 514 HE1 HIS 64 HE1 HIS 64 -1.293 -11.764 -4.437 515 HE2 HIS 64 HE2 HIS 64 -3.629 -11.372 -3.588 516 H ALA 65 HN ALA 65 -4.552 -5.663 -4.867 517 HA ALA 65 HA ALA 65 -6.566 -7.674 -4.865 518 1HB ALA 65 HB1 ALA 65 -7.877 -6.106 -3.562 519 2HB ALA 65 HB2 ALA 65 -6.745 -4.811 -3.955 520 3HB ALA 65 HB3 ALA 65 -6.217 -6.178 -2.974 521 H SER 66 HN SER 66 -6.358 -4.465 -6.424 522 HA SER 66 HA SER 66 -8.904 -4.372 -7.510 523 1HB SER 66 HB2 SER 66 -7.927 -2.890 -9.260 524 2HB SER 66 HB1 SER 66 -7.436 -2.454 -7.624 525 HG SER 66 HG SER 66 -5.431 -3.140 -8.010 526 H SER 67 HN SER 67 -6.001 -5.911 -8.864 527 HA SER 67 HA SER 67 -7.113 -6.635 -11.335 528 1HB SER 67 HB2 SER 67 -4.679 -6.675 -10.815 529 2HB SER 67 HB1 SER 67 -4.947 -8.088 -9.797 530 HG SER 67 HG SER 67 -5.269 -7.855 -12.609 531 H HIS 68 HN HIS 68 -7.178 -8.244 -8.191 532 HA HIS 68 HA HIS 68 -8.562 -10.549 -9.352 533 1HB HIS 68 HB2 HIS 68 -6.685 -10.697 -7.589 534 2HB HIS 68 HB1 HIS 68 -7.899 -10.164 -6.435 535 HD1 HIS 68 HD1 HIS 68 -6.917 -13.071 -8.560 536 HD2 HIS 68 HD2 HIS 68 -9.786 -12.106 -5.711 537 HE1 HIS 68 HE1 HIS 68 -7.996 -15.254 -7.916 538 HE2 HIS 68 HE2 HIS 68 -9.789 -14.639 -6.250 539 H SER 69 HN SER 69 -9.563 -7.635 -8.687 540 HA SER 69 HA SER 69 -11.529 -6.640 -8.126 541 1HB SER 69 HB2 SER 69 -12.556 -9.482 -8.303 542 2HB SER 69 HB1 SER 69 -13.591 -8.072 -8.085 543 HG SER 69 HG SER 69 -11.754 -8.110 -10.216 544 H ILE 70 HN ILE 70 -9.687 -7.680 -6.046 545 HA ILE 70 HA ILE 70 -11.433 -8.352 -3.825 546 HB ILE 70 HB ILE 70 -8.454 -7.797 -3.862 547 1HG1 ILE 70 HG12 ILE 70 -9.946 -10.432 -3.843 548 2HG1 ILE 70 HG11 ILE 70 -9.111 -9.749 -5.233 549 1HG2 ILE 70 HG21 ILE 70 -9.427 -7.471 -1.658 550 2HG2 ILE 70 HG22 ILE 70 -8.424 -8.922 -1.687 551 3HG2 ILE 70 HG23 ILE 70 -10.183 -9.062 -1.739 552 1HD1 ILE 70 HD11 ILE 70 -7.782 -11.473 -4.169 553 2HD1 ILE 70 HD12 ILE 70 -7.831 -10.588 -2.644 554 3HD1 ILE 70 HD13 ILE 70 -6.993 -9.901 -4.035 555 H SER 71 HN SER 71 -11.720 -7.011 -1.976 556 HA SER 71 HA SER 71 -11.523 -4.158 -2.560 557 1HB SER 71 HB2 SER 71 -12.837 -5.555 -0.212 558 2HB SER 71 HB1 SER 71 -13.009 -3.855 -0.647 559 HG SER 71 HG SER 71 -13.758 -4.899 -2.784 560 H ILE 72 HN ILE 72 -10.871 -2.761 -0.599 561 HA ILE 72 HA ILE 72 -8.618 -3.970 0.852 562 HB ILE 72 HB ILE 72 -8.451 -1.687 -1.130 563 1HG1 ILE 72 HG12 ILE 72 -7.040 -4.331 -0.855 564 2HG1 ILE 72 HG11 ILE 72 -8.074 -3.781 -2.169 565 1HG2 ILE 72 HG21 ILE 72 -6.358 -2.407 0.911 566 2HG2 ILE 72 HG22 ILE 72 -7.321 -0.930 0.875 567 3HG2 ILE 72 HG23 ILE 72 -6.166 -1.259 -0.414 568 1HD1 ILE 72 HD11 ILE 72 -5.739 -3.771 -2.820 569 2HD1 ILE 72 HD12 ILE 72 -5.361 -2.670 -1.495 570 3HD1 ILE 72 HD13 ILE 72 -6.404 -2.137 -2.814 571 H ILE 73 HN ILE 73 -7.957 -2.785 2.652 572 HA ILE 73 HA ILE 73 -9.444 -0.353 3.397 573 HB ILE 73 HB ILE 73 -8.906 -2.769 5.146 574 1HG1 ILE 73 HG12 ILE 73 -10.931 -2.996 3.845 575 2HG1 ILE 73 HG11 ILE 73 -11.348 -2.714 5.532 576 1HG2 ILE 73 HG21 ILE 73 -9.875 -1.465 7.003 577 2HG2 ILE 73 HG22 ILE 73 -9.895 -0.038 5.965 578 3HG2 ILE 73 HG23 ILE 73 -8.357 -0.784 6.412 579 1HD1 ILE 73 HD11 ILE 73 -11.813 -0.376 5.013 580 2HD1 ILE 73 HD12 ILE 73 -12.807 -1.480 4.061 581 3HD1 ILE 73 HD13 ILE 73 -11.418 -0.681 3.321 582 HA PRO 74 HA PRO 74 -5.027 0.350 3.852 583 1HB PRO 74 HB2 PRO 74 -5.303 3.088 3.300 584 2HB PRO 74 HB1 PRO 74 -4.912 1.811 2.150 585 1HG PRO 74 HG2 PRO 74 -7.274 3.346 2.210 586 2HG PRO 74 HG1 PRO 74 -6.985 1.888 1.247 587 1HD PRO 74 HD2 PRO 74 -8.436 2.200 3.830 588 2HD PRO 74 HD1 PRO 74 -8.718 1.055 2.498 589 H SER 75 HN SER 75 -4.821 0.059 6.084 590 HA SER 75 HA SER 75 -5.341 2.179 7.954 591 1HB SER 75 HB2 SER 75 -5.164 -0.255 8.586 592 2HB SER 75 HB1 SER 75 -3.437 -0.168 8.243 593 HG SER 75 HG SER 75 -4.874 1.321 10.200 594 H CYS 76 HN CYS 76 -2.960 1.410 5.664 595 HA CYS 76 HA CYS 76 -0.866 3.121 6.439 596 1HB CYS 76 HB2 CYS 76 -1.670 2.409 3.612 597 2HB CYS 76 HB1 CYS 76 -0.121 3.040 4.137 598 HG CYS 76 HG CYS 76 0.945 0.737 4.426 599 H SER 77 HN SER 77 -3.687 4.164 6.573 600 HA SER 77 HA SER 77 -4.474 5.839 4.587 601 1HB SER 77 HB2 SER 77 -5.639 7.084 6.563 602 2HB SER 77 HB1 SER 77 -6.061 5.411 6.199 603 HG SER 77 HG SER 77 -5.590 5.111 8.230 604 H TYR 78 HN TYR 78 -1.673 6.524 6.504 605 HA TYR 78 HA TYR 78 -1.527 9.294 6.101 606 1HB TYR 78 HB2 TYR 78 0.474 8.734 7.024 607 2HB TYR 78 HB1 TYR 78 0.387 7.090 6.407 608 HD1 TYR 78 HD1 TYR 78 1.352 10.557 5.519 609 HD2 TYR 78 HD2 TYR 78 1.690 6.435 4.515 610 HE1 TYR 78 HE1 TYR 78 3.137 11.113 3.921 611 HE2 TYR 78 HE2 TYR 78 3.471 6.974 2.905 612 HH TYR 78 HH TYR 78 4.253 8.871 1.591 613 H VAL 79 HN VAL 79 -0.770 6.606 3.920 614 HA VAL 79 HA VAL 79 -0.362 8.106 1.564 615 HB VAL 79 HB VAL 79 -1.397 5.271 1.842 616 1HG1 VAL 79 HG11 VAL 79 -0.063 6.613 -0.501 617 2HG1 VAL 79 HG12 VAL 79 -1.777 6.215 -0.375 618 3HG1 VAL 79 HG13 VAL 79 -0.572 4.926 -0.411 619 1HG2 VAL 79 HG21 VAL 79 0.733 5.537 2.984 620 2HG2 VAL 79 HG22 VAL 79 1.435 6.262 1.539 621 3HG2 VAL 79 HG23 VAL 79 0.928 4.573 1.519 622 H SER 80 HN SER 80 -3.190 6.514 2.956 623 HA SER 80 HA SER 80 -4.970 6.907 0.846 624 1HB SER 80 HB2 SER 80 -5.705 6.934 3.776 625 2HB SER 80 HB1 SER 80 -6.721 6.442 2.418 626 HG SER 80 HG SER 80 -5.723 4.681 3.590 627 H ASP 81 HN ASP 81 -4.118 9.036 3.499 628 HA ASP 81 HA ASP 81 -6.247 10.863 3.127 629 1HB ASP 81 HB2 ASP 81 -5.137 10.707 5.262 630 2HB ASP 81 HB1 ASP 81 -3.584 11.113 4.542 631 H THR 82 HN THR 82 -2.808 10.993 2.170 632 HA THR 82 HA THR 82 -3.320 13.430 0.667 633 HB THR 82 HB THR 82 -1.246 13.454 1.834 634 HG1 THR 82 HG1 THR 82 -0.539 14.437 0.105 635 1HG2 THR 82 HG21 THR 82 -0.903 11.051 2.101 636 2HG2 THR 82 HG22 THR 82 0.542 11.819 1.442 637 3HG2 THR 82 HG23 THR 82 -0.533 10.904 0.383 638 H PHE 83 HN PHE 83 -2.209 10.130 -0.050 639 HA PHE 83 HA PHE 83 -1.748 10.695 -2.807 640 1HB PHE 83 HB2 PHE 83 -0.733 8.904 -1.163 641 2HB PHE 83 HB1 PHE 83 -2.040 7.912 -1.791 642 HD1 PHE 83 HD1 PHE 83 -1.517 6.534 -3.529 643 HD2 PHE 83 HD2 PHE 83 0.569 10.220 -3.135 644 HE1 PHE 83 HE1 PHE 83 -0.167 5.981 -5.512 645 HE2 PHE 83 HE2 PHE 83 1.924 9.673 -5.108 646 HZ PHE 83 HZ PHE 83 1.557 7.551 -6.301 647 H LEU 84 HN LEU 84 -4.422 9.157 -1.052 648 HA LEU 84 HA LEU 84 -5.563 7.988 -3.365 649 1HB LEU 84 HB2 LEU 84 -6.532 8.478 -0.607 650 2HB LEU 84 HB1 LEU 84 -7.712 8.085 -1.847 651 HG LEU 84 HG LEU 84 -5.294 6.391 -1.201 652 1HD1 LEU 84 HD11 LEU 84 -6.897 4.870 -0.146 653 2HD1 LEU 84 HD12 LEU 84 -8.182 6.049 -0.404 654 3HD1 LEU 84 HD13 LEU 84 -6.842 6.428 0.677 655 1HD2 LEU 84 HD21 LEU 84 -7.738 5.852 -2.895 656 2HD2 LEU 84 HD22 LEU 84 -6.422 4.720 -2.572 657 3HD2 LEU 84 HD23 LEU 84 -6.115 6.187 -3.502 658 HA PRO 85 HA PRO 85 -8.279 12.055 -3.626 659 1HB PRO 85 HB2 PRO 85 -6.221 13.913 -2.573 660 2HB PRO 85 HB1 PRO 85 -7.978 13.971 -2.403 661 1HG PRO 85 HG2 PRO 85 -6.410 13.267 -0.364 662 2HG PRO 85 HG1 PRO 85 -7.988 12.501 -0.625 663 1HD PRO 85 HD2 PRO 85 -5.247 11.442 -1.185 664 2HD PRO 85 HD1 PRO 85 -6.699 10.593 -0.611 665 H ARG 86 HN ARG 86 -4.800 11.835 -3.739 666 HA ARG 86 HA ARG 86 -4.363 13.495 -5.999 667 1HB ARG 86 HB2 ARG 86 -2.669 12.941 -4.293 668 2HB ARG 86 HB1 ARG 86 -2.671 11.275 -4.838 669 1HG ARG 86 HG2 ARG 86 -1.728 11.920 -6.956 670 2HG ARG 86 HG1 ARG 86 -1.855 13.630 -6.523 671 1HD ARG 86 HD2 ARG 86 -0.326 13.290 -4.663 672 2HD ARG 86 HD1 ARG 86 -0.224 11.574 -5.035 673 HE ARG 86 HE ARG 86 0.549 13.027 -7.303 674 1HH1 ARG 86 HH11 ARG 86 1.635 12.398 -4.037 675 2HH1 ARG 86 HH12 ARG 86 3.329 12.522 -4.429 676 1HH2 ARG 86 HH21 ARG 86 2.758 13.230 -7.837 677 2HH2 ARG 86 HH22 ARG 86 3.968 13.037 -6.601 678 H ASN 87 HN ASN 87 -5.084 10.069 -5.597 679 HA ASN 87 HA ASN 87 -5.956 10.003 -8.332 680 1HB ASN 87 HB2 ASN 87 -4.707 8.066 -9.073 681 2HB ASN 87 HB1 ASN 87 -3.599 9.354 -8.640 682 1HD2 ASN 87 HD21 ASN 87 -3.675 8.889 -5.797 683 2HD2 ASN 87 HD22 ASN 87 -2.853 7.399 -5.518 684 HA PRO 88 HA PRO 88 -8.629 7.701 -5.477 685 1HB PRO 88 HB2 PRO 88 -10.900 8.867 -6.729 686 2HB PRO 88 HB1 PRO 88 -10.183 9.309 -5.182 687 1HG PRO 88 HG2 PRO 88 -10.224 10.897 -7.469 688 2HG PRO 88 HG1 PRO 88 -9.188 11.139 -6.054 689 1HD PRO 88 HD2 PRO 88 -8.548 9.918 -8.690 690 2HD PRO 88 HD1 PRO 88 -7.517 10.865 -7.599 691 H SER 89 HN SER 89 -7.551 6.336 -7.617 692 HA SER 89 HA SER 89 -9.706 5.502 -9.390 693 1HB SER 89 HB2 SER 89 -6.914 4.360 -9.237 694 2HB SER 89 HB1 SER 89 -8.024 4.332 -10.609 695 HG SER 89 HG SER 89 -7.821 6.794 -10.320 696 H TRP 90 HN TRP 90 -8.737 4.778 -6.345 697 HA TRP 90 HA TRP 90 -9.085 1.874 -6.588 698 1HB TRP 90 HB2 TRP 90 -7.972 3.324 -4.198 699 2HB TRP 90 HB1 TRP 90 -7.729 1.646 -4.681 700 HD1 TRP 90 HD1 TRP 90 -6.117 4.966 -4.872 701 HE1 TRP 90 HE1 TRP 90 -4.110 4.915 -6.475 702 HE3 TRP 90 HE3 TRP 90 -7.012 0.465 -7.133 703 HZ2 TRP 90 HZ2 TRP 90 -3.045 3.187 -8.449 704 HZ3 TRP 90 HZ3 TRP 90 -5.451 -0.311 -8.872 705 HH2 TRP 90 HH2 TRP 90 -3.513 1.025 -9.512 706 H LYS 91 HN LYS 91 -11.051 4.299 -6.123 707 HA LYS 91 HA LYS 91 -12.309 4.026 -3.671 708 1HB LYS 91 HB2 LYS 91 -13.411 4.762 -6.372 709 2HB LYS 91 HB1 LYS 91 -14.408 4.756 -4.926 710 1HG LYS 91 HG2 LYS 91 -12.891 6.405 -3.902 711 2HG LYS 91 HG1 LYS 91 -11.959 6.445 -5.403 712 1HD LYS 91 HD2 LYS 91 -13.882 7.244 -6.624 713 2HD LYS 91 HD1 LYS 91 -14.898 7.086 -5.193 714 1HE LYS 91 HE2 LYS 91 -13.582 8.810 -4.060 715 2HE LYS 91 HE1 LYS 91 -12.544 8.950 -5.483 716 1HZ LYS 91 HZ1 LYS 91 -14.317 9.795 -6.757 717 2HZ LYS 91 HZ2 LYS 91 -14.363 10.648 -5.290 718 3HZ LYS 91 HZ3 LYS 91 -15.471 9.397 -5.583 719 HA PRO 92 HA PRO 92 -15.118 0.535 -5.772 720 1HB PRO 92 HB2 PRO 92 -13.543 -1.053 -7.416 721 2HB PRO 92 HB1 PRO 92 -14.753 0.110 -7.964 722 1HG PRO 92 HG2 PRO 92 -11.793 0.425 -7.711 723 2HG PRO 92 HG1 PRO 92 -12.881 1.013 -8.983 724 1HD PRO 92 HD2 PRO 92 -11.956 2.665 -7.115 725 2HD PRO 92 HD1 PRO 92 -13.634 2.793 -7.684 726 H LEU 93 HN LEU 93 -11.944 0.550 -4.532 727 HA LEU 93 HA LEU 93 -12.173 -2.247 -3.640 728 1HB LEU 93 HB2 LEU 93 -9.743 -0.487 -3.411 729 2HB LEU 93 HB1 LEU 93 -9.826 -2.236 -3.307 730 HG LEU 93 HG LEU 93 -10.350 -0.654 -5.819 731 1HD1 LEU 93 HD11 LEU 93 -8.150 -1.434 -6.545 732 2HD1 LEU 93 HD12 LEU 93 -7.890 -2.181 -4.970 733 3HD1 LEU 93 HD13 LEU 93 -8.026 -0.427 -5.103 734 1HD2 LEU 93 HD21 LEU 93 -11.475 -2.819 -5.756 735 2HD2 LEU 93 HD22 LEU 93 -9.952 -3.610 -5.342 736 3HD2 LEU 93 HD23 LEU 93 -10.147 -2.837 -6.919 737 H ILE 94 HN ILE 94 -11.880 1.073 -2.549 738 HA ILE 94 HA ILE 94 -11.630 0.133 0.234 739 HB ILE 94 HB ILE 94 -9.999 1.896 0.649 740 1HG1 ILE 94 HG12 ILE 94 -10.338 2.468 -2.298 741 2HG1 ILE 94 HG11 ILE 94 -10.725 3.548 -0.961 742 1HG2 ILE 94 HG21 ILE 94 -9.188 -0.296 -0.038 743 2HG2 ILE 94 HG22 ILE 94 -8.125 0.988 -0.618 744 3HG2 ILE 94 HG23 ILE 94 -9.251 0.206 -1.727 745 1HD1 ILE 94 HD11 ILE 94 -8.669 4.211 -2.008 746 2HD1 ILE 94 HD12 ILE 94 -7.992 2.601 -1.760 747 3HD1 ILE 94 HD13 ILE 94 -8.356 3.628 -0.373 748 H HIS 95 HN HIS 95 -11.313 2.676 1.316 749 HA HIS 95 HA HIS 95 -13.925 3.719 1.529 750 1HB HIS 95 HB2 HIS 95 -11.228 4.881 2.276 751 2HB HIS 95 HB1 HIS 95 -12.757 5.639 2.692 752 HD1 HIS 95 HD1 HIS 95 -11.911 5.413 5.189 753 HD2 HIS 95 HD2 HIS 95 -12.683 1.814 3.252 754 HE1 HIS 95 HE1 HIS 95 -11.971 3.673 6.998 755 HE2 HIS 95 HE2 HIS 95 -12.568 1.522 5.827 756 H SER 96 HN SER 96 -11.214 5.786 0.654 757 HA SER 96 HA SER 96 -11.652 6.404 -1.981 758 1HB SER 96 HB2 SER 96 -13.936 7.117 -1.405 759 2HB SER 96 HB1 SER 96 -13.301 8.186 -0.150 760 HG SER 96 HG SER 96 -12.027 8.862 -2.315 761 H GLU 97 HN GLU 97 -10.770 7.188 1.180 762 HA GLU 97 HA GLU 97 -8.382 8.537 0.583 763 1HB GLU 97 HB2 GLU 97 -10.120 10.331 0.105 764 2HB GLU 97 HB1 GLU 97 -10.604 10.220 1.791 765 1HG GLU 97 HG2 GLU 97 -8.041 10.693 2.193 766 2HG GLU 97 HG1 GLU 97 -8.169 11.410 0.584 767 H VAL 98 HN VAL 98 -8.642 9.994 3.244 768 HA VAL 98 HA VAL 98 -8.350 7.702 4.949 769 HB VAL 98 HB VAL 98 -6.903 9.609 5.330 770 1HG1 VAL 98 HG11 VAL 98 -7.748 11.708 6.261 771 2HG1 VAL 98 HG12 VAL 98 -9.401 11.142 6.014 772 3HG1 VAL 98 HG13 VAL 98 -8.342 11.413 4.628 773 1HG2 VAL 98 HG21 VAL 98 -7.393 8.191 7.222 774 2HG2 VAL 98 HG22 VAL 98 -8.821 9.153 7.606 775 3HG2 VAL 98 HG23 VAL 98 -7.212 9.864 7.750 776 H PHE 99 HN PHE 99 -10.763 10.332 4.584 777 HA PHE 99 HA PHE 99 -12.918 8.655 5.246 778 1HB PHE 99 HB2 PHE 99 -13.574 9.469 7.444 779 2HB PHE 99 HB1 PHE 99 -11.977 8.744 7.523 780 HD1 PHE 99 HD1 PHE 99 -10.022 10.085 8.010 781 HD2 PHE 99 HD2 PHE 99 -13.879 11.858 7.728 782 HE1 PHE 99 HE1 PHE 99 -9.152 12.132 9.055 783 HE2 PHE 99 HE2 PHE 99 -13.016 13.906 8.782 784 HZ PHE 99 HZ PHE 99 -10.650 14.024 9.487 785 H LYS 100 HN LYS 100 -11.914 11.045 3.605 786 HA LYS 100 HA LYS 100 -13.300 13.381 4.202 787 1HB LYS 100 HB2 LYS 100 -12.987 14.031 1.903 788 2HB LYS 100 HB1 LYS 100 -11.551 13.171 2.443 789 1HG LYS 100 HG2 LYS 100 -11.890 11.430 1.032 790 2HG LYS 100 HG1 LYS 100 -13.647 11.544 1.139 791 1HD LYS 100 HD2 LYS 100 -13.563 13.572 -0.267 792 2HD LYS 100 HD1 LYS 100 -11.832 13.351 -0.411 793 1HE LYS 100 HE2 LYS 100 -12.165 11.210 -1.510 794 2HE LYS 100 HE1 LYS 100 -13.911 11.402 -1.346 795 1HZ LYS 100 HZ1 LYS 100 -13.127 12.037 -3.558 796 2HZ LYS 100 HZ2 LYS 100 -12.129 13.226 -2.875 797 3HZ LYS 100 HZ3 LYS 100 -13.814 13.354 -2.744 798 H SER 101 HN SER 101 -14.453 10.452 2.770 799 HA SER 101 HA SER 101 -17.059 11.625 2.261 800 1HB SER 101 HB2 SER 101 -16.322 12.006 0.128 801 2HB SER 101 HB1 SER 101 -15.074 10.759 0.227 802 HG SER 101 HG SER 101 -17.692 10.607 -0.668 803 H SER 102 HN SER 102 -15.284 8.671 1.399 804 HA SER 102 HA SER 102 -17.424 7.090 2.598 805 1HB SER 102 HB2 SER 102 -15.047 6.075 1.034 806 2HB SER 102 HB1 SER 102 -16.560 5.234 1.365 807 HG SER 102 HG SER 102 -17.549 7.054 0.134 808 H ILE 103 HN ILE 103 -17.197 6.400 4.606 809 HA ILE 103 HA ILE 103 -14.488 5.867 5.606 810 HB ILE 103 HB ILE 103 -15.208 7.803 6.772 811 1HG1 ILE 103 HG12 ILE 103 -15.479 6.979 9.129 812 2HG1 ILE 103 HG11 ILE 103 -15.658 5.351 8.481 813 1HG2 ILE 103 HG21 ILE 103 -17.329 7.986 7.966 814 2HG2 ILE 103 HG22 ILE 103 -17.808 6.399 7.356 815 3HG2 ILE 103 HG23 ILE 103 -17.568 7.742 6.236 816 1HD1 ILE 103 HD11 ILE 103 -13.240 7.115 8.179 817 2HD1 ILE 103 HD12 ILE 103 -13.421 5.486 7.524 818 3HD1 ILE 103 HD13 ILE 103 -13.401 5.737 9.270 Start of MODEL 14 1 1H MET 1 HT1 MET 1 21.128 6.856 -11.016 2 2H MET 1 HT2 MET 1 20.221 7.124 -9.609 3 3H MET 1 HT3 MET 1 21.006 8.421 -10.379 4 HA MET 1 HA MET 1 19.593 8.246 -12.278 5 1HB MET 1 HB2 MET 1 18.406 5.904 -10.771 6 2HB MET 1 HB1 MET 1 17.624 6.671 -12.144 7 1HG MET 1 HG2 MET 1 18.753 4.670 -12.850 8 2HG MET 1 HG1 MET 1 19.538 6.082 -13.551 9 1HE MET 1 HE1 MET 1 20.790 3.115 -13.410 10 2HE MET 1 HE2 MET 1 22.461 3.505 -13.009 11 3HE MET 1 HE3 MET 1 21.588 4.481 -14.190 12 H ALA 2 HN ALA 2 18.196 9.898 -12.211 13 HA ALA 2 HA ALA 2 17.254 10.962 -9.762 14 1HB ALA 2 HB1 ALA 2 17.615 12.344 -11.743 15 2HB ALA 2 HB2 ALA 2 15.958 12.500 -11.157 16 3HB ALA 2 HB3 ALA 2 16.304 11.510 -12.573 17 H THR 3 HN THR 3 15.531 9.364 -12.433 18 HA THR 3 HA THR 3 13.407 8.618 -10.542 19 HB THR 3 HB THR 3 13.385 8.430 -13.566 20 HG1 THR 3 HG1 THR 3 12.015 10.338 -11.941 21 1HG2 THR 3 HG21 THR 3 11.156 8.188 -11.539 22 2HG2 THR 3 HG22 THR 3 11.847 6.866 -12.480 23 3HG2 THR 3 HG23 THR 3 10.960 8.156 -13.291 24 H GLU 4 HN GLU 4 14.602 6.945 -9.541 25 HA GLU 4 HA GLU 4 15.464 4.719 -11.195 26 1HB GLU 4 HB2 GLU 4 16.213 3.725 -9.018 27 2HB GLU 4 HB1 GLU 4 16.958 5.266 -9.407 28 1HG GLU 4 HG2 GLU 4 15.403 6.385 -7.873 29 2HG GLU 4 HG1 GLU 4 14.706 4.820 -7.459 30 HA PRO 5 HA PRO 5 11.479 2.794 -10.788 31 1HB PRO 5 HB2 PRO 5 12.755 0.454 -12.005 32 2HB PRO 5 HB1 PRO 5 11.467 1.481 -12.640 33 1HG PRO 5 HG2 PRO 5 13.956 1.495 -13.679 34 2HG PRO 5 HG1 PRO 5 12.942 2.949 -13.629 35 1HD PRO 5 HD2 PRO 5 15.192 2.145 -11.818 36 2HD PRO 5 HD1 PRO 5 14.821 3.738 -12.515 37 HA PRO 6 HA PRO 6 12.553 0.640 -6.964 38 1HB PRO 6 HB2 PRO 6 9.618 0.518 -6.703 39 2HB PRO 6 HB1 PRO 6 10.818 1.202 -5.602 40 1HG PRO 6 HG2 PRO 6 9.188 2.771 -7.035 41 2HG PRO 6 HG1 PRO 6 10.866 3.235 -6.704 42 1HD PRO 6 HD2 PRO 6 9.677 2.092 -9.205 43 2HD PRO 6 HD1 PRO 6 10.888 3.379 -9.016 44 H LYS 7 HN LYS 7 12.330 -1.473 -6.204 45 HA LYS 7 HA LYS 7 11.029 -3.336 -8.080 46 1HB LYS 7 HB2 LYS 7 13.730 -3.131 -7.732 47 2HB LYS 7 HB1 LYS 7 13.325 -4.354 -6.537 48 1HG LYS 7 HG2 LYS 7 13.937 -5.408 -8.611 49 2HG LYS 7 HG1 LYS 7 12.221 -5.675 -8.292 50 1HD LYS 7 HD2 LYS 7 12.641 -5.100 -10.645 51 2HD LYS 7 HD1 LYS 7 11.635 -3.896 -9.842 52 1HE LYS 7 HE2 LYS 7 13.556 -2.438 -9.556 53 2HE LYS 7 HE1 LYS 7 14.608 -3.652 -10.282 54 1HZ LYS 7 HZ1 LYS 7 12.421 -2.155 -11.616 55 2HZ LYS 7 HZ2 LYS 7 13.247 -3.449 -12.327 56 3HZ LYS 7 HZ3 LYS 7 14.085 -2.032 -11.928 57 H ILE 8 HN ILE 8 9.188 -3.481 -6.832 58 HA ILE 8 HA ILE 8 9.494 -3.961 -3.984 59 HB ILE 8 HB ILE 8 6.898 -3.708 -5.494 60 1HG1 ILE 8 HG12 ILE 8 8.366 -1.745 -5.923 61 2HG1 ILE 8 HG11 ILE 8 6.924 -1.330 -5.000 62 1HG2 ILE 8 HG21 ILE 8 6.032 -3.009 -3.314 63 2HG2 ILE 8 HG22 ILE 8 7.634 -3.230 -2.607 64 3HG2 ILE 8 HG23 ILE 8 6.746 -4.619 -3.237 65 1HD1 ILE 8 HD11 ILE 8 8.253 -1.302 -2.952 66 2HD1 ILE 8 HD12 ILE 8 8.889 -0.182 -4.158 67 3HD1 ILE 8 HD13 ILE 8 9.690 -1.728 -3.883 68 H VAL 9 HN VAL 9 9.449 -5.901 -3.125 69 HA VAL 9 HA VAL 9 8.552 -8.161 -4.800 70 HB VAL 9 HB VAL 9 10.471 -8.248 -2.469 71 1HG1 VAL 9 HG11 VAL 9 9.812 -10.268 -4.609 72 2HG1 VAL 9 HG12 VAL 9 9.372 -10.367 -2.903 73 3HG1 VAL 9 HG13 VAL 9 11.067 -10.454 -3.382 74 1HG2 VAL 9 HG21 VAL 9 11.382 -6.884 -4.256 75 2HG2 VAL 9 HG22 VAL 9 11.066 -8.175 -5.416 76 3HG2 VAL 9 HG23 VAL 9 12.252 -8.413 -4.130 77 H TRP 10 HN TRP 10 7.009 -9.502 -4.027 78 HA TRP 10 HA TRP 10 5.603 -8.688 -1.663 79 1HB TRP 10 HB2 TRP 10 4.369 -9.421 -3.616 80 2HB TRP 10 HB1 TRP 10 5.151 -10.998 -3.558 81 HD1 TRP 10 HD1 TRP 10 3.655 -9.233 -0.470 82 HE1 TRP 10 HE1 TRP 10 1.754 -10.701 0.444 83 HE3 TRP 10 HE3 TRP 10 3.526 -12.783 -4.149 84 HZ2 TRP 10 HZ2 TRP 10 0.372 -13.044 -0.294 85 HZ3 TRP 10 HZ3 TRP 10 1.879 -14.606 -3.969 86 HH2 TRP 10 HH2 TRP 10 0.336 -14.731 -2.078 87 H ASN 11 HN ASN 11 6.378 -9.171 0.253 88 HA ASN 11 HA ASN 11 7.810 -11.667 0.704 89 1HB ASN 11 HB2 ASN 11 8.473 -9.363 1.684 90 2HB ASN 11 HB1 ASN 11 7.128 -9.594 2.793 91 1HD2 ASN 11 HD21 ASN 11 7.293 -11.107 4.417 92 2HD2 ASN 11 HD22 ASN 11 8.788 -11.867 4.839 93 H GLU 12 HN GLU 12 6.020 -12.956 0.218 94 HA GLU 12 HA GLU 12 3.455 -12.765 1.227 95 1HB GLU 12 HB2 GLU 12 3.746 -15.453 0.816 96 2HB GLU 12 HB1 GLU 12 3.342 -14.269 -0.418 97 1HG GLU 12 HG2 GLU 12 5.091 -15.644 -1.255 98 2HG GLU 12 HG1 GLU 12 5.766 -14.054 -0.922 99 H GLY 13 HN GLY 13 6.283 -14.273 2.656 100 1HA GLY 13 HA2 GLY 13 5.076 -15.749 4.690 101 2HA GLY 13 HA1 GLY 13 6.661 -15.000 4.807 102 H LYS 14 HN LYS 14 5.242 -12.331 4.315 103 HA LYS 14 HA LYS 14 4.080 -12.012 7.007 104 1HB LYS 14 HB2 LYS 14 5.811 -10.035 5.509 105 2HB LYS 14 HB1 LYS 14 5.029 -9.730 7.054 106 1HG LYS 14 HG2 LYS 14 7.196 -11.740 6.497 107 2HG LYS 14 HG1 LYS 14 7.351 -10.223 7.388 108 1HD LYS 14 HD2 LYS 14 5.924 -11.044 9.141 109 2HD LYS 14 HD1 LYS 14 5.543 -12.495 8.213 110 1HE LYS 14 HE2 LYS 14 7.940 -13.123 8.313 111 2HE LYS 14 HE1 LYS 14 8.225 -11.732 9.356 112 1HZ LYS 14 HZ1 LYS 14 6.619 -12.680 10.935 113 2HZ LYS 14 HZ2 LYS 14 7.957 -13.690 10.688 114 3HZ LYS 14 HZ3 LYS 14 6.473 -14.055 9.950 115 H ARG 15 HN ARG 15 3.285 -12.184 3.935 116 HA ARG 15 HA ARG 15 1.831 -11.241 2.463 117 1HB ARG 15 HB2 ARG 15 0.407 -10.581 5.047 118 2HB ARG 15 HB1 ARG 15 -0.330 -10.526 3.450 119 1HG ARG 15 HG2 ARG 15 0.145 -12.925 3.177 120 2HG ARG 15 HG1 ARG 15 0.808 -12.954 4.807 121 1HD ARG 15 HD2 ARG 15 -1.346 -12.362 5.736 122 2HD ARG 15 HD1 ARG 15 -2.027 -12.197 4.115 123 HE ARG 15 HE ARG 15 -1.066 -14.741 4.145 124 1HH1 ARG 15 HH11 ARG 15 -3.273 -12.974 6.231 125 2HH1 ARG 15 HH12 ARG 15 -4.169 -14.394 6.694 126 1HH2 ARG 15 HH21 ARG 15 -2.248 -16.592 4.743 127 2HH2 ARG 15 HH22 ARG 15 -3.574 -16.455 5.859 128 H ARG 16 HN ARG 16 3.963 -9.628 2.777 129 HA ARG 16 HA ARG 16 2.779 -6.943 2.699 130 1HB ARG 16 HB2 ARG 16 4.444 -6.008 4.088 131 2HB ARG 16 HB1 ARG 16 3.948 -7.477 4.902 132 1HG ARG 16 HG2 ARG 16 5.930 -8.622 4.054 133 2HG ARG 16 HG1 ARG 16 6.437 -7.131 3.252 134 1HD ARG 16 HD2 ARG 16 6.403 -6.011 5.483 135 2HD ARG 16 HD1 ARG 16 6.095 -7.582 6.214 136 HE ARG 16 HE ARG 16 8.456 -7.452 4.540 137 1HH1 ARG 16 HH11 ARG 16 7.156 -7.115 7.776 138 2HH1 ARG 16 HH12 ARG 16 8.694 -7.326 8.558 139 1HH2 ARG 16 HH21 ARG 16 10.456 -7.731 5.528 140 2HH2 ARG 16 HH22 ARG 16 10.584 -7.695 7.266 141 H PHE 17 HN PHE 17 3.913 -5.438 1.358 142 HA PHE 17 HA PHE 17 5.640 -6.747 -0.625 143 1HB PHE 17 HB2 PHE 17 4.245 -4.067 -0.771 144 2HB PHE 17 HB1 PHE 17 5.214 -4.788 -2.051 145 HD1 PHE 17 HD1 PHE 17 1.974 -4.283 -0.899 146 HD2 PHE 17 HD2 PHE 17 4.430 -7.247 -2.713 147 HE1 PHE 17 HE1 PHE 17 -0.035 -5.415 -1.760 148 HE2 PHE 17 HE2 PHE 17 2.424 -8.378 -3.581 149 HZ PHE 17 HZ PHE 17 0.204 -7.460 -3.133 150 H GLU 18 HN GLU 18 7.714 -6.396 -0.639 151 HA GLU 18 HA GLU 18 8.821 -4.350 1.165 152 1HB GLU 18 HB2 GLU 18 9.128 -7.038 1.272 153 2HB GLU 18 HB1 GLU 18 10.470 -6.613 0.227 154 1HG GLU 18 HG2 GLU 18 11.489 -5.306 1.886 155 2HG GLU 18 HG1 GLU 18 10.037 -5.307 2.889 156 H THR 19 HN THR 19 9.993 -2.781 0.317 157 HA THR 19 HA THR 19 10.439 -2.536 -2.475 158 HB THR 19 HB THR 19 10.282 -0.564 -1.027 159 HG1 THR 19 HG1 THR 19 11.894 -0.677 -2.942 160 1HG2 THR 19 HG21 THR 19 12.850 -1.523 0.204 161 2HG2 THR 19 HG22 THR 19 11.265 -1.537 0.973 162 3HG2 THR 19 HG23 THR 19 12.031 -0.003 0.557 163 H GLU 20 HN GLU 20 12.675 -2.289 -3.442 164 HA GLU 20 HA GLU 20 14.302 -4.559 -3.030 165 1HB GLU 20 HB2 GLU 20 15.837 -3.522 -4.596 166 2HB GLU 20 HB1 GLU 20 14.185 -3.269 -5.145 167 1HG GLU 20 HG2 GLU 20 15.349 -1.149 -3.459 168 2HG GLU 20 HG1 GLU 20 16.012 -1.332 -5.081 169 H ASP 21 HN ASP 21 13.894 -1.854 -1.265 170 HA ASP 21 HA ASP 21 16.611 -1.622 -0.277 171 1HB ASP 21 HB2 ASP 21 15.678 0.472 -0.564 172 2HB ASP 21 HB1 ASP 21 14.077 -0.057 -0.105 173 H HIS 22 HN HIS 22 13.621 -3.097 0.472 174 HA HIS 22 HA HIS 22 13.006 -4.671 1.946 175 1HB HIS 22 HB2 HIS 22 15.961 -4.728 2.506 176 2HB HIS 22 HB1 HIS 22 14.821 -5.817 3.290 177 HD1 HIS 22 HD1 HIS 22 13.552 -7.518 1.722 178 HD2 HIS 22 HD2 HIS 22 16.664 -5.416 -0.073 179 HE1 HIS 22 HE1 HIS 22 14.081 -8.765 -0.401 180 HE2 HIS 22 HE2 HIS 22 16.061 -7.563 -1.398 181 H GLU 23 HN GLU 23 14.382 -1.776 3.084 182 HA GLU 23 HA GLU 23 13.628 -2.343 5.843 183 1HB GLU 23 HB2 GLU 23 14.701 0.251 4.726 184 2HB GLU 23 HB1 GLU 23 14.680 -0.267 6.409 185 1HG GLU 23 HG2 GLU 23 16.187 -2.186 5.649 186 2HG GLU 23 HG1 GLU 23 16.404 -1.264 4.157 187 H ALA 24 HN ALA 24 12.372 -1.010 3.003 188 HA ALA 24 HA ALA 24 10.115 0.177 4.461 189 1HB ALA 24 HB1 ALA 24 10.914 0.537 1.578 190 2HB ALA 24 HB2 ALA 24 11.174 1.703 2.877 191 3HB ALA 24 HB3 ALA 24 9.533 1.301 2.367 192 H PHE 25 HN PHE 25 8.070 -0.578 4.159 193 HA PHE 25 HA PHE 25 7.433 -2.438 2.092 194 1HB PHE 25 HB2 PHE 25 6.807 -4.300 3.642 195 2HB PHE 25 HB1 PHE 25 8.543 -4.051 3.472 196 HD1 PHE 25 HD1 PHE 25 5.646 -3.693 5.704 197 HD2 PHE 25 HD2 PHE 25 9.874 -3.350 5.340 198 HE1 PHE 25 HE1 PHE 25 5.839 -3.515 8.147 199 HE2 PHE 25 HE2 PHE 25 10.075 -3.181 7.787 200 HZ PHE 25 HZ PHE 25 8.060 -3.314 9.195 201 H ILE 26 HN ILE 26 5.235 -3.136 2.154 202 HA ILE 26 HA ILE 26 3.532 -1.632 4.015 203 HB ILE 26 HB ILE 26 3.578 -1.305 1.247 204 1HG1 ILE 26 HG12 ILE 26 2.788 0.243 3.024 205 2HG1 ILE 26 HG11 ILE 26 1.748 0.195 1.604 206 1HG2 ILE 26 HG21 ILE 26 1.126 -2.905 1.971 207 2HG2 ILE 26 HG22 ILE 26 2.411 -3.403 0.872 208 3HG2 ILE 26 HG23 ILE 26 1.379 -2.035 0.457 209 1HD1 ILE 26 HD11 ILE 26 0.441 0.270 3.648 210 2HD1 ILE 26 HD12 ILE 26 1.230 -1.198 4.225 211 3HD1 ILE 26 HD13 ILE 26 0.187 -1.256 2.802 212 H GLU 27 HN GLU 27 2.263 -2.865 5.217 213 HA GLU 27 HA GLU 27 2.251 -5.747 4.665 214 1HB GLU 27 HB2 GLU 27 3.057 -4.883 6.871 215 2HB GLU 27 HB1 GLU 27 1.460 -4.210 7.159 216 1HG GLU 27 HG2 GLU 27 0.570 -6.555 6.979 217 2HG GLU 27 HG1 GLU 27 2.249 -7.103 6.993 218 H TYR 28 HN TYR 28 0.151 -6.927 4.847 219 HA TYR 28 HA TYR 28 -2.180 -5.274 5.214 220 1HB TYR 28 HB2 TYR 28 -3.297 -5.861 3.123 221 2HB TYR 28 HB1 TYR 28 -1.824 -4.959 2.819 222 HD1 TYR 28 HD1 TYR 28 -3.329 -8.337 2.717 223 HD2 TYR 28 HD2 TYR 28 -0.115 -5.856 1.447 224 HE1 TYR 28 HE1 TYR 28 -2.574 -10.105 1.185 225 HE2 TYR 28 HE2 TYR 28 0.643 -7.617 -0.088 226 HH TYR 28 HH TYR 28 -1.251 -10.395 -0.787 227 H LYS 29 HN LYS 29 -4.127 -6.397 5.405 228 HA LYS 29 HA LYS 29 -3.791 -9.211 6.204 229 1HB LYS 29 HB2 LYS 29 -5.428 -7.158 7.694 230 2HB LYS 29 HB1 LYS 29 -5.019 -8.786 8.220 231 1HG LYS 29 HG2 LYS 29 -2.790 -8.212 8.644 232 2HG LYS 29 HG1 LYS 29 -2.919 -6.721 7.706 233 1HD LYS 29 HD2 LYS 29 -4.258 -5.694 9.349 234 2HD LYS 29 HD1 LYS 29 -4.476 -7.210 10.234 235 1HE LYS 29 HE2 LYS 29 -1.888 -5.692 9.882 236 2HE LYS 29 HE1 LYS 29 -2.853 -5.772 11.356 237 1HZ LYS 29 HZ1 LYS 29 -1.604 -8.119 10.032 238 2HZ LYS 29 HZ2 LYS 29 -2.425 -8.118 11.514 239 3HZ LYS 29 HZ3 LYS 29 -0.946 -7.304 11.365 240 H MET 30 HN MET 30 -5.307 -10.491 5.299 241 HA MET 30 HA MET 30 -7.427 -9.210 3.785 242 1HB MET 30 HB2 MET 30 -6.680 -12.133 4.080 243 2HB MET 30 HB1 MET 30 -7.919 -11.513 2.996 244 1HG MET 30 HG2 MET 30 -6.254 -10.254 1.771 245 2HG MET 30 HG1 MET 30 -5.001 -10.796 2.885 246 1HE MET 30 HE1 MET 30 -4.201 -13.350 3.078 247 2HE MET 30 HE2 MET 30 -4.919 -14.658 2.138 248 3HE MET 30 HE3 MET 30 -5.874 -13.829 3.366 249 H ARG 31 HN ARG 31 -8.984 -8.483 4.992 250 HA ARG 31 HA ARG 31 -9.949 -9.904 7.345 251 1HB ARG 31 HB2 ARG 31 -10.598 -7.214 6.129 252 2HB ARG 31 HB1 ARG 31 -11.417 -7.856 7.545 253 1HG ARG 31 HG2 ARG 31 -9.451 -7.765 8.844 254 2HG ARG 31 HG1 ARG 31 -8.439 -7.490 7.425 255 1HD ARG 31 HD2 ARG 31 -8.916 -5.466 8.857 256 2HD ARG 31 HD1 ARG 31 -9.259 -5.300 7.137 257 HE ARG 31 HE ARG 31 -11.581 -6.138 8.543 258 1HH1 ARG 31 HH11 ARG 31 -9.558 -3.319 8.002 259 2HH1 ARG 31 HH12 ARG 31 -10.874 -2.199 8.225 260 1HH2 ARG 31 HH21 ARG 31 -13.297 -4.644 8.820 261 2HH2 ARG 31 HH22 ARG 31 -12.976 -2.940 8.689 262 H ASN 32 HN ASN 32 -12.427 -9.799 7.609 263 HA ASN 32 HA ASN 32 -14.500 -10.505 6.981 264 1HB ASN 32 HB2 ASN 32 -14.119 -8.438 5.446 265 2HB ASN 32 HB1 ASN 32 -13.887 -9.619 4.165 266 1HD2 ASN 32 HD21 ASN 32 -16.101 -8.079 6.273 267 2HD2 ASN 32 HD22 ASN 32 -17.556 -8.709 5.577 268 H ASN 33 HN ASN 33 -12.688 -12.444 7.140 269 HA ASN 33 HA ASN 33 -12.308 -14.623 6.642 270 1HB ASN 33 HB2 ASN 33 -14.761 -14.661 6.068 271 2HB ASN 33 HB1 ASN 33 -14.316 -14.353 4.394 272 1HD2 ASN 33 HD21 ASN 33 -15.185 -16.289 3.683 273 2HD2 ASN 33 HD22 ASN 33 -14.447 -17.816 4.020 274 H GLY 34 HN GLY 34 -11.558 -12.094 4.716 275 1HA GLY 34 HA2 GLY 34 -9.354 -12.214 3.662 276 2HA GLY 34 HA1 GLY 34 -9.828 -13.777 3.015 277 H LYS 35 HN LYS 35 -12.100 -11.154 3.055 278 HA LYS 35 HA LYS 35 -12.032 -11.112 0.122 279 1HB LYS 35 HB2 LYS 35 -14.105 -9.975 2.005 280 2HB LYS 35 HB1 LYS 35 -14.247 -10.111 0.258 281 1HG LYS 35 HG2 LYS 35 -14.036 -12.420 2.181 282 2HG LYS 35 HG1 LYS 35 -15.519 -11.837 1.428 283 1HD LYS 35 HD2 LYS 35 -14.629 -12.381 -0.775 284 2HD LYS 35 HD1 LYS 35 -13.119 -12.926 -0.038 285 1HE LYS 35 HE2 LYS 35 -14.630 -14.792 -0.606 286 2HE LYS 35 HE1 LYS 35 -14.285 -14.699 1.121 287 1HZ LYS 35 HZ1 LYS 35 -16.412 -13.697 1.503 288 2HZ LYS 35 HZ2 LYS 35 -16.645 -15.114 0.607 289 3HZ LYS 35 HZ3 LYS 35 -16.733 -13.608 -0.163 290 H VAL 36 HN VAL 36 -11.162 -9.240 2.835 291 HA VAL 36 HA VAL 36 -10.901 -6.842 1.147 292 HB VAL 36 HB VAL 36 -11.665 -6.999 4.067 293 1HG1 VAL 36 HG11 VAL 36 -10.051 -5.192 3.755 294 2HG1 VAL 36 HG12 VAL 36 -11.666 -4.548 4.057 295 3HG1 VAL 36 HG13 VAL 36 -11.009 -4.551 2.421 296 1HG2 VAL 36 HG21 VAL 36 -13.658 -5.781 3.329 297 2HG2 VAL 36 HG22 VAL 36 -13.501 -7.335 2.506 298 3HG2 VAL 36 HG23 VAL 36 -13.079 -5.844 1.665 299 H MET 37 HN MET 37 -8.872 -6.188 0.885 300 HA MET 37 HA MET 37 -6.810 -7.250 2.652 301 1HB MET 37 HB2 MET 37 -6.742 -5.786 0.018 302 2HB MET 37 HB1 MET 37 -5.284 -6.018 0.984 303 1HG MET 37 HG2 MET 37 -5.749 -8.478 0.925 304 2HG MET 37 HG1 MET 37 -7.040 -8.138 -0.224 305 1HE MET 37 HE1 MET 37 -4.569 -10.140 -0.705 306 2HE MET 37 HE2 MET 37 -4.207 -9.777 -2.392 307 3HE MET 37 HE3 MET 37 -5.884 -9.897 -1.857 308 H ASP 38 HN ASP 38 -6.447 -6.170 4.458 309 HA ASP 38 HA ASP 38 -6.857 -3.298 4.569 310 1HB ASP 38 HB2 ASP 38 -7.352 -5.108 6.419 311 2HB ASP 38 HB1 ASP 38 -5.646 -4.914 6.787 312 H LEU 39 HN LEU 39 -5.337 -2.118 3.683 313 HA LEU 39 HA LEU 39 -2.607 -2.992 3.494 314 1HB LEU 39 HB2 LEU 39 -4.109 -0.538 2.637 315 2HB LEU 39 HB1 LEU 39 -2.356 -0.547 2.613 316 HG LEU 39 HG LEU 39 -2.263 -2.169 0.948 317 1HD1 LEU 39 HD11 LEU 39 -4.120 -3.469 0.123 318 2HD1 LEU 39 HD12 LEU 39 -5.200 -2.684 1.275 319 3HD1 LEU 39 HD13 LEU 39 -3.905 -3.731 1.853 320 1HD2 LEU 39 HD21 LEU 39 -4.589 -0.373 0.333 321 2HD2 LEU 39 HD22 LEU 39 -3.643 -1.259 -0.861 322 3HD2 LEU 39 HD23 LEU 39 -2.882 0.004 0.107 323 H VAL 40 HN VAL 40 -1.744 -3.144 5.495 324 HA VAL 40 HA VAL 40 -2.161 -0.930 7.370 325 HB VAL 40 HB VAL 40 -1.257 -3.770 7.898 326 1HG1 VAL 40 HG11 VAL 40 -1.977 -1.574 9.827 327 2HG1 VAL 40 HG12 VAL 40 -0.356 -2.196 9.521 328 3HG1 VAL 40 HG13 VAL 40 -1.577 -3.238 10.253 329 1HG2 VAL 40 HG21 VAL 40 -3.585 -3.685 7.204 330 2HG2 VAL 40 HG22 VAL 40 -3.914 -2.454 8.424 331 3HG2 VAL 40 HG23 VAL 40 -3.455 -4.084 8.918 332 H HIS 41 HN HIS 41 -0.470 0.475 7.412 333 HA HIS 41 HA HIS 41 1.526 1.066 8.360 334 1HB HIS 41 HB2 HIS 41 1.491 -1.017 9.671 335 2HB HIS 41 HB1 HIS 41 2.173 -1.884 8.309 336 HD1 HIS 41 HD1 HIS 41 3.931 -2.516 10.260 337 HD2 HIS 41 HD2 HIS 41 4.112 1.376 8.799 338 HE1 HIS 41 HE1 HIS 41 6.180 -1.637 10.951 339 HE2 HIS 41 HE2 HIS 41 6.150 0.790 10.289 340 H THR 42 HN THR 42 1.750 2.117 6.374 341 HA THR 42 HA THR 42 3.690 0.981 4.537 342 HB THR 42 HB THR 42 1.979 2.375 3.527 343 HG1 THR 42 HG1 THR 42 3.573 2.955 2.281 344 1HG2 THR 42 HG21 THR 42 1.362 3.731 5.453 345 2HG2 THR 42 HG22 THR 42 1.761 4.765 4.083 346 3HG2 THR 42 HG23 THR 42 2.921 4.556 5.398 347 H TYR 43 HN TYR 43 5.843 1.189 4.923 348 HA TYR 43 HA TYR 43 6.692 3.571 6.367 349 1HB TYR 43 HB2 TYR 43 6.432 1.452 7.895 350 2HB TYR 43 HB1 TYR 43 7.977 1.000 7.172 351 HD1 TYR 43 HD1 TYR 43 6.328 3.916 8.856 352 HD2 TYR 43 HD2 TYR 43 9.920 1.766 8.105 353 HE1 TYR 43 HE1 TYR 43 7.524 5.352 10.458 354 HE2 TYR 43 HE2 TYR 43 11.120 3.192 9.693 355 HH TYR 43 HH TYR 43 9.563 5.188 11.906 356 H VAL 44 HN VAL 44 8.800 4.168 6.057 357 HA VAL 44 HA VAL 44 10.423 2.746 4.112 358 HB VAL 44 HB VAL 44 8.911 4.125 2.727 359 1HG1 VAL 44 HG11 VAL 44 9.043 6.566 2.781 360 2HG1 VAL 44 HG12 VAL 44 10.092 6.476 4.195 361 3HG1 VAL 44 HG13 VAL 44 8.425 5.910 4.298 362 1HG2 VAL 44 HG21 VAL 44 10.623 5.307 1.431 363 2HG2 VAL 44 HG22 VAL 44 11.136 3.687 1.903 364 3HG2 VAL 44 HG23 VAL 44 11.759 5.097 2.761 365 HA PRO 45 HA PRO 45 13.453 4.397 6.942 366 1HB PRO 45 HB2 PRO 45 15.684 4.038 5.414 367 2HB PRO 45 HB1 PRO 45 14.879 2.725 6.280 368 1HG PRO 45 HG2 PRO 45 14.655 3.512 3.400 369 2HG PRO 45 HG1 PRO 45 14.812 1.894 4.112 370 1HD PRO 45 HD2 PRO 45 12.434 2.848 3.293 371 2HD PRO 45 HD1 PRO 45 12.578 1.809 4.726 372 H SER 46 HN SER 46 15.373 5.940 6.860 373 HA SER 46 HA SER 46 14.450 8.459 6.118 374 1HB SER 46 HB2 SER 46 17.334 7.742 6.637 375 2HB SER 46 HB1 SER 46 16.531 9.282 6.940 376 HG SER 46 HG SER 46 16.870 7.510 8.706 377 H PHE 47 HN PHE 47 16.073 6.123 4.231 378 HA PHE 47 HA PHE 47 17.503 7.794 2.460 379 1HB PHE 47 HB2 PHE 47 16.395 5.018 2.015 380 2HB PHE 47 HB1 PHE 47 17.593 5.810 1.000 381 HD1 PHE 47 HD1 PHE 47 16.978 4.089 4.147 382 HD2 PHE 47 HD2 PHE 47 19.882 6.122 1.794 383 HE1 PHE 47 HE1 PHE 47 18.763 3.170 5.562 384 HE2 PHE 47 HE2 PHE 47 21.675 5.202 3.208 385 HZ PHE 47 HZ PHE 47 21.115 3.726 5.096 386 H LYS 48 HN LYS 48 14.147 6.860 2.626 387 HA LYS 48 HA LYS 48 13.631 8.333 0.136 388 1HB LYS 48 HB2 LYS 48 12.659 5.541 0.765 389 2HB LYS 48 HB1 LYS 48 11.954 6.545 -0.491 390 1HG LYS 48 HG2 LYS 48 13.916 6.493 -1.782 391 2HG LYS 48 HG1 LYS 48 14.876 5.872 -0.439 392 1HD LYS 48 HD2 LYS 48 12.586 4.331 -1.628 393 2HD LYS 48 HD1 LYS 48 14.228 4.219 -2.262 394 1HE LYS 48 HE2 LYS 48 13.467 3.670 0.604 395 2HE LYS 48 HE1 LYS 48 13.644 2.428 -0.631 396 1HZ LYS 48 HZ1 LYS 48 15.956 3.009 -0.885 397 2HZ LYS 48 HZ2 LYS 48 15.645 2.683 0.750 398 3HZ LYS 48 HZ3 LYS 48 15.803 4.284 0.215 399 H ARG 49 HN ARG 49 13.252 9.078 2.890 400 HA ARG 49 HA ARG 49 10.614 8.697 3.781 401 1HB ARG 49 HB2 ARG 49 12.681 10.796 4.370 402 2HB ARG 49 HB1 ARG 49 11.071 10.879 5.073 403 1HG ARG 49 HG2 ARG 49 12.969 8.566 5.381 404 2HG ARG 49 HG1 ARG 49 12.733 9.851 6.569 405 1HD ARG 49 HD2 ARG 49 10.683 7.854 5.617 406 2HD ARG 49 HD1 ARG 49 11.439 7.918 7.208 407 HE ARG 49 HE ARG 49 9.724 10.106 6.218 408 1HH1 ARG 49 HH11 ARG 49 10.565 7.745 8.677 409 2HH1 ARG 49 HH12 ARG 49 9.385 8.334 9.813 410 1HH2 ARG 49 HH21 ARG 49 8.196 10.879 7.706 411 2HH2 ARG 49 HH22 ARG 49 8.061 10.139 9.274 412 H GLY 50 HN GLY 50 8.820 9.294 2.819 413 1HA GLY 50 HA2 GLY 50 7.231 10.604 1.817 414 2HA GLY 50 HA1 GLY 50 8.217 11.988 2.257 415 H LEU 51 HN LEU 51 9.659 9.540 0.312 416 HA LEU 51 HA LEU 51 9.957 11.400 -1.874 417 1HB LEU 51 HB2 LEU 51 11.757 9.826 -1.089 418 2HB LEU 51 HB1 LEU 51 10.796 8.506 -1.726 419 HG LEU 51 HG LEU 51 11.002 9.462 -3.991 420 1HD1 LEU 51 HD11 LEU 51 11.269 11.806 -3.363 421 2HD1 LEU 51 HD12 LEU 51 12.589 11.272 -4.404 422 3HD1 LEU 51 HD13 LEU 51 12.851 11.448 -2.670 423 1HD2 LEU 51 HD21 LEU 51 12.567 7.758 -3.247 424 2HD2 LEU 51 HD22 LEU 51 13.621 8.998 -2.568 425 3HD2 LEU 51 HD23 LEU 51 13.366 8.913 -4.311 426 H GLY 52 HN GLY 52 7.832 8.855 -1.010 427 1HA GLY 52 HA2 GLY 52 5.780 8.802 -2.439 428 2HA GLY 52 HA1 GLY 52 6.888 8.681 -3.797 429 H LEU 53 HN LEU 53 8.673 6.929 -2.172 430 HA LEU 53 HA LEU 53 7.914 4.493 -3.237 431 1HB LEU 53 HB2 LEU 53 10.191 5.149 -2.422 432 2HB LEU 53 HB1 LEU 53 9.633 4.898 -0.783 433 HG LEU 53 HG LEU 53 11.015 3.036 -1.898 434 1HD1 LEU 53 HD11 LEU 53 9.748 1.280 -0.789 435 2HD1 LEU 53 HD12 LEU 53 8.350 2.350 -0.672 436 3HD1 LEU 53 HD13 LEU 53 9.830 2.730 0.210 437 1HD2 LEU 53 HD21 LEU 53 9.827 3.021 -4.021 438 2HD2 LEU 53 HD22 LEU 53 8.344 2.533 -3.196 439 3HD2 LEU 53 HD23 LEU 53 9.735 1.446 -3.231 440 H ALA 54 HN ALA 54 7.373 5.722 0.049 441 HA ALA 54 HA ALA 54 6.258 3.474 1.214 442 1HB ALA 54 HB1 ALA 54 5.472 6.345 1.706 443 2HB ALA 54 HB2 ALA 54 6.852 5.523 2.433 444 3HB ALA 54 HB3 ALA 54 5.212 4.988 2.800 445 H SER 55 HN SER 55 4.583 6.073 -0.547 446 HA SER 55 HA SER 55 2.022 4.892 -0.399 447 1HB SER 55 HB2 SER 55 2.981 6.810 -2.534 448 2HB SER 55 HB1 SER 55 1.345 6.617 -1.902 449 HG SER 55 HG SER 55 1.958 8.239 -0.686 450 H HIS 56 HN HIS 56 4.686 4.595 -2.688 451 HA HIS 56 HA HIS 56 3.312 3.234 -4.737 452 1HB HIS 56 HB2 HIS 56 6.173 3.433 -3.919 453 2HB HIS 56 HB1 HIS 56 5.719 2.160 -5.047 454 HD1 HIS 56 HD1 HIS 56 5.465 2.797 -7.444 455 HD2 HIS 56 HD2 HIS 56 5.608 6.106 -4.921 456 HE1 HIS 56 HE1 HIS 56 5.618 4.806 -8.958 457 HE2 HIS 56 HE2 HIS 56 5.891 6.781 -7.406 458 H LEU 57 HN LEU 57 4.704 2.170 -1.722 459 HA LEU 57 HA LEU 57 4.466 -0.609 -2.107 460 1HB LEU 57 HB2 LEU 57 4.191 0.982 0.450 461 2HB LEU 57 HB1 LEU 57 4.476 -0.744 0.347 462 HG LEU 57 HG LEU 57 6.403 1.303 -0.739 463 1HD1 LEU 57 HD11 LEU 57 7.728 0.920 1.276 464 2HD1 LEU 57 HD12 LEU 57 6.438 -0.086 1.935 465 3HD1 LEU 57 HD13 LEU 57 6.162 1.635 1.660 466 1HD2 LEU 57 HD21 LEU 57 6.578 -0.944 -1.695 467 2HD2 LEU 57 HD22 LEU 57 6.729 -1.620 -0.072 468 3HD2 LEU 57 HD23 LEU 57 7.981 -0.549 -0.703 469 H CYS 58 HN CYS 58 2.259 1.822 -0.779 470 HA CYS 58 HA CYS 58 0.102 0.082 -0.251 471 1HB CYS 58 HB2 CYS 58 0.217 2.359 0.651 472 2HB CYS 58 HB1 CYS 58 0.051 3.018 -0.979 473 HG CYS 58 HG CYS 58 -2.512 1.325 -1.000 474 H VAL 59 HN VAL 59 1.014 1.896 -3.139 475 HA VAL 59 HA VAL 59 -1.232 1.352 -4.726 476 HB VAL 59 HB VAL 59 1.647 1.776 -5.540 477 1HG1 VAL 59 HG11 VAL 59 -0.823 1.865 -7.271 478 2HG1 VAL 59 HG12 VAL 59 0.420 0.614 -7.313 479 3HG1 VAL 59 HG13 VAL 59 0.818 2.268 -7.777 480 1HG2 VAL 59 HG21 VAL 59 0.926 4.046 -6.051 481 2HG2 VAL 59 HG22 VAL 59 0.643 3.652 -4.356 482 3HG2 VAL 59 HG23 VAL 59 -0.703 3.660 -5.495 483 H ALA 60 HN ALA 60 1.700 -0.497 -4.116 484 HA ALA 60 HA ALA 60 1.366 -2.482 -6.049 485 1HB ALA 60 HB1 ALA 60 3.434 -2.175 -4.799 486 2HB ALA 60 HB2 ALA 60 2.860 -3.839 -4.688 487 3HB ALA 60 HB3 ALA 60 2.636 -2.736 -3.329 488 H ALA 61 HN ALA 61 -0.058 -2.144 -2.817 489 HA ALA 61 HA ALA 61 -1.206 -4.763 -2.841 490 1HB ALA 61 HB1 ALA 61 -1.954 -2.355 -1.192 491 2HB ALA 61 HB2 ALA 61 -0.756 -3.573 -0.757 492 3HB ALA 61 HB3 ALA 61 -2.457 -4.019 -0.893 493 H PHE 62 HN PHE 62 -2.295 -1.533 -3.753 494 HA PHE 62 HA PHE 62 -4.976 -2.145 -4.315 495 1HB PHE 62 HB2 PHE 62 -3.102 -0.088 -5.482 496 2HB PHE 62 HB1 PHE 62 -4.781 -0.230 -5.991 497 HD1 PHE 62 HD1 PHE 62 -6.267 -0.628 -3.577 498 HD2 PHE 62 HD2 PHE 62 -2.843 1.807 -4.244 499 HE1 PHE 62 HE1 PHE 62 -6.927 0.809 -1.687 500 HE2 PHE 62 HE2 PHE 62 -3.499 3.252 -2.364 501 HZ PHE 62 HZ PHE 62 -5.620 2.799 -1.148 502 H GLU 63 HN GLU 63 -2.155 -2.066 -6.466 503 HA GLU 63 HA GLU 63 -3.349 -2.960 -8.808 504 1HB GLU 63 HB2 GLU 63 -0.561 -3.490 -7.765 505 2HB GLU 63 HB1 GLU 63 -1.073 -3.764 -9.424 506 1HG GLU 63 HG2 GLU 63 -1.265 -1.074 -8.114 507 2HG GLU 63 HG1 GLU 63 0.195 -1.627 -8.932 508 H HIS 64 HN HIS 64 -2.265 -4.754 -6.011 509 HA HIS 64 HA HIS 64 -2.397 -7.334 -7.233 510 1HB HIS 64 HB2 HIS 64 -0.990 -6.719 -5.225 511 2HB HIS 64 HB1 HIS 64 -2.476 -6.681 -4.283 512 HD1 HIS 64 HD1 HIS 64 -2.643 -8.728 -2.927 513 HD2 HIS 64 HD2 HIS 64 -0.982 -9.499 -6.659 514 HE1 HIS 64 HE1 HIS 64 -2.189 -11.201 -2.970 515 HE2 HIS 64 HE2 HIS 64 -1.253 -11.663 -5.263 516 H ALA 65 HN ALA 65 -4.491 -5.553 -4.970 517 HA ALA 65 HA ALA 65 -6.398 -7.679 -4.819 518 1HB ALA 65 HB1 ALA 65 -7.731 -6.153 -3.497 519 2HB ALA 65 HB2 ALA 65 -6.692 -4.807 -3.966 520 3HB ALA 65 HB3 ALA 65 -6.049 -6.117 -2.972 521 H SER 66 HN SER 66 -6.409 -4.484 -6.420 522 HA SER 66 HA SER 66 -8.945 -4.612 -7.546 523 1HB SER 66 HB2 SER 66 -7.525 -2.601 -7.594 524 2HB SER 66 HB1 SER 66 -6.448 -3.385 -8.748 525 HG SER 66 HG SER 66 -9.220 -2.965 -9.229 526 H SER 67 HN SER 67 -5.912 -6.006 -8.723 527 HA SER 67 HA SER 67 -6.928 -6.913 -11.203 528 1HB SER 67 HB2 SER 67 -4.517 -6.677 -10.764 529 2HB SER 67 HB1 SER 67 -4.604 -7.964 -9.565 530 HG SER 67 HG SER 67 -5.049 -8.171 -12.366 531 H HIS 68 HN HIS 68 -6.811 -8.314 -7.980 532 HA HIS 68 HA HIS 68 -7.778 -10.891 -8.933 533 1HB HIS 68 HB2 HIS 68 -5.990 -10.432 -7.077 534 2HB HIS 68 HB1 HIS 68 -7.390 -10.179 -6.043 535 HD1 HIS 68 HD1 HIS 68 -9.120 -12.348 -6.029 536 HD2 HIS 68 HD2 HIS 68 -5.192 -13.004 -7.234 537 HE1 HIS 68 HE1 HIS 68 -8.732 -14.816 -5.761 538 HE2 HIS 68 HE2 HIS 68 -6.287 -15.145 -6.281 539 H SER 69 HN SER 69 -9.257 -8.089 -8.465 540 HA SER 69 HA SER 69 -11.396 -7.423 -8.100 541 1HB SER 69 HB2 SER 69 -11.920 -9.454 -9.466 542 2HB SER 69 HB1 SER 69 -12.061 -10.376 -7.972 543 HG SER 69 HG SER 69 -13.800 -9.073 -7.375 544 H ILE 70 HN ILE 70 -9.596 -7.717 -5.911 545 HA ILE 70 HA ILE 70 -11.317 -8.590 -3.698 546 HB ILE 70 HB ILE 70 -8.340 -8.014 -3.715 547 1HG1 ILE 70 HG12 ILE 70 -9.858 -10.633 -3.610 548 2HG1 ILE 70 HG11 ILE 70 -8.918 -10.038 -4.974 549 1HG2 ILE 70 HG21 ILE 70 -9.345 -7.566 -1.535 550 2HG2 ILE 70 HG22 ILE 70 -8.314 -8.995 -1.479 551 3HG2 ILE 70 HG23 ILE 70 -10.069 -9.174 -1.530 552 1HD1 ILE 70 HD11 ILE 70 -6.889 -10.156 -3.600 553 2HD1 ILE 70 HD12 ILE 70 -7.684 -11.722 -3.769 554 3HD1 ILE 70 HD13 ILE 70 -7.846 -10.808 -2.269 555 H SER 71 HN SER 71 -11.655 -7.213 -1.899 556 HA SER 71 HA SER 71 -11.563 -4.373 -2.580 557 1HB SER 71 HB2 SER 71 -12.914 -5.770 -0.252 558 2HB SER 71 HB1 SER 71 -13.126 -4.080 -0.716 559 HG SER 71 HG SER 71 -13.839 -6.373 -2.240 560 H ILE 72 HN ILE 72 -11.045 -2.868 -0.649 561 HA ILE 72 HA ILE 72 -8.762 -3.913 0.876 562 HB ILE 72 HB ILE 72 -8.626 -1.639 -1.132 563 1HG1 ILE 72 HG12 ILE 72 -7.213 -4.291 -0.871 564 2HG1 ILE 72 HG11 ILE 72 -8.218 -3.720 -2.199 565 1HG2 ILE 72 HG21 ILE 72 -7.505 -0.885 0.868 566 2HG2 ILE 72 HG22 ILE 72 -6.324 -1.241 -0.396 567 3HG2 ILE 72 HG23 ILE 72 -6.566 -2.377 0.933 568 1HD1 ILE 72 HD11 ILE 72 -6.531 -2.083 -2.793 569 2HD1 ILE 72 HD12 ILE 72 -5.861 -3.713 -2.789 570 3HD1 ILE 72 HD13 ILE 72 -5.522 -2.618 -1.450 571 H ILE 73 HN ILE 73 -8.148 -2.632 2.626 572 HA ILE 73 HA ILE 73 -9.641 -0.180 3.233 573 HB ILE 73 HB ILE 73 -9.329 -2.565 5.072 574 1HG1 ILE 73 HG12 ILE 73 -11.341 -2.508 3.661 575 2HG1 ILE 73 HG11 ILE 73 -11.741 -2.340 5.368 576 1HG2 ILE 73 HG21 ILE 73 -10.147 -1.165 6.904 577 2HG2 ILE 73 HG22 ILE 73 -10.082 0.250 5.852 578 3HG2 ILE 73 HG23 ILE 73 -8.594 -0.594 6.291 579 1HD1 ILE 73 HD11 ILE 73 -12.001 0.075 5.053 580 2HD1 ILE 73 HD12 ILE 73 -13.080 -0.853 4.012 581 3HD1 ILE 73 HD13 ILE 73 -11.624 -0.120 3.339 582 HA PRO 74 HA PRO 74 -5.266 0.494 3.747 583 1HB PRO 74 HB2 PRO 74 -5.563 3.275 3.412 584 2HB PRO 74 HB1 PRO 74 -5.187 2.086 2.168 585 1HG PRO 74 HG2 PRO 74 -7.545 3.591 2.366 586 2HG PRO 74 HG1 PRO 74 -7.300 2.170 1.338 587 1HD PRO 74 HD2 PRO 74 -8.635 2.384 3.997 588 2HD PRO 74 HD1 PRO 74 -9.008 1.319 2.622 589 H SER 75 HN SER 75 -4.916 0.063 5.948 590 HA SER 75 HA SER 75 -5.181 2.130 7.920 591 1HB SER 75 HB2 SER 75 -3.430 -0.343 7.871 592 2HB SER 75 HB1 SER 75 -3.645 0.710 9.268 593 HG SER 75 HG SER 75 -5.467 -1.064 8.049 594 H CYS 76 HN CYS 76 -3.201 1.614 5.279 595 HA CYS 76 HA CYS 76 -0.765 2.805 5.899 596 1HB CYS 76 HB2 CYS 76 -0.485 3.259 3.579 597 2HB CYS 76 HB1 CYS 76 -1.283 1.737 3.703 598 HG CYS 76 HG CYS 76 -2.488 2.834 1.558 599 H SER 77 HN SER 77 -3.241 4.361 6.890 600 HA SER 77 HA SER 77 -4.214 6.115 5.066 601 1HB SER 77 HB2 SER 77 -4.078 6.586 8.040 602 2HB SER 77 HB1 SER 77 -5.264 7.250 6.916 603 HG SER 77 HG SER 77 -5.604 4.846 6.428 604 H TYR 78 HN TYR 78 -1.116 6.623 6.616 605 HA TYR 78 HA TYR 78 -0.777 9.331 5.999 606 1HB TYR 78 HB2 TYR 78 1.203 8.495 6.839 607 2HB TYR 78 HB1 TYR 78 0.998 6.935 6.046 608 HD1 TYR 78 HD1 TYR 78 1.950 10.478 5.398 609 HD2 TYR 78 HD2 TYR 78 2.138 6.449 4.050 610 HE1 TYR 78 HE1 TYR 78 3.526 11.143 3.635 611 HE2 TYR 78 HE2 TYR 78 3.711 7.091 2.275 612 HH TYR 78 HH TYR 78 5.148 10.277 2.200 613 H VAL 79 HN VAL 79 -0.497 6.444 3.939 614 HA VAL 79 HA VAL 79 -0.199 7.830 1.474 615 HB VAL 79 HB VAL 79 -1.196 5.024 2.022 616 1HG1 VAL 79 HG11 VAL 79 -1.825 5.819 -0.199 617 2HG1 VAL 79 HG12 VAL 79 -0.614 4.539 -0.285 618 3HG1 VAL 79 HG13 VAL 79 -0.141 6.221 -0.534 619 1HG2 VAL 79 HG21 VAL 79 1.040 5.371 2.904 620 2HG2 VAL 79 HG22 VAL 79 1.573 6.002 1.344 621 3HG2 VAL 79 HG23 VAL 79 1.085 4.313 1.492 622 H SER 80 HN SER 80 -2.900 6.221 3.108 623 HA SER 80 HA SER 80 -4.886 6.565 1.231 624 1HB SER 80 HB2 SER 80 -5.372 6.998 4.175 625 2HB SER 80 HB1 SER 80 -6.470 6.302 2.981 626 HG SER 80 HG SER 80 -4.650 4.672 2.771 627 H ASP 81 HN ASP 81 -3.838 8.926 3.656 628 HA ASP 81 HA ASP 81 -5.999 10.706 3.149 629 1HB ASP 81 HB2 ASP 81 -5.024 10.720 5.336 630 2HB ASP 81 HB1 ASP 81 -3.417 11.032 4.690 631 H THR 82 HN THR 82 -2.564 10.730 2.225 632 HA THR 82 HA THR 82 -3.032 13.185 0.749 633 HB THR 82 HB THR 82 -0.954 13.113 1.979 634 HG1 THR 82 HG1 THR 82 -0.722 14.313 0.156 635 1HG2 THR 82 HG21 THR 82 0.860 11.583 1.406 636 2HG2 THR 82 HG22 THR 82 -0.184 10.765 0.243 637 3HG2 THR 82 HG23 THR 82 -0.556 10.692 1.966 638 H PHE 83 HN PHE 83 -2.056 9.855 0.023 639 HA PHE 83 HA PHE 83 -1.541 10.430 -2.728 640 1HB PHE 83 HB2 PHE 83 -0.486 8.645 -1.172 641 2HB PHE 83 HB1 PHE 83 -1.867 7.667 -1.640 642 HD1 PHE 83 HD1 PHE 83 -1.627 6.275 -3.446 643 HD2 PHE 83 HD2 PHE 83 0.729 9.807 -3.229 644 HE1 PHE 83 HE1 PHE 83 -0.505 5.655 -5.545 645 HE2 PHE 83 HE2 PHE 83 1.862 9.188 -5.322 646 HZ PHE 83 HZ PHE 83 1.244 7.109 -6.482 647 H LEU 84 HN LEU 84 -4.206 8.913 -0.967 648 HA LEU 84 HA LEU 84 -5.419 7.797 -3.275 649 1HB LEU 84 HB2 LEU 84 -6.378 8.365 -0.515 650 2HB LEU 84 HB1 LEU 84 -7.536 7.915 -1.755 651 HG LEU 84 HG LEU 84 -5.104 6.252 -1.096 652 1HD1 LEU 84 HD11 LEU 84 -6.549 6.423 0.871 653 2HD1 LEU 84 HD12 LEU 84 -6.591 4.807 0.166 654 3HD1 LEU 84 HD13 LEU 84 -7.930 5.922 -0.104 655 1HD2 LEU 84 HD21 LEU 84 -6.078 5.899 -3.311 656 2HD2 LEU 84 HD22 LEU 84 -7.658 5.620 -2.575 657 3HD2 LEU 84 HD23 LEU 84 -6.330 4.502 -2.266 658 HA PRO 85 HA PRO 85 -7.973 11.944 -3.527 659 1HB PRO 85 HB2 PRO 85 -5.963 13.776 -2.373 660 2HB PRO 85 HB1 PRO 85 -7.721 13.798 -2.216 661 1HG PRO 85 HG2 PRO 85 -6.149 13.055 -0.191 662 2HG PRO 85 HG1 PRO 85 -7.720 12.285 -0.485 663 1HD PRO 85 HD2 PRO 85 -4.965 11.270 -1.082 664 2HD PRO 85 HD1 PRO 85 -6.400 10.394 -0.505 665 H ARG 86 HN ARG 86 -4.500 11.627 -3.586 666 HA ARG 86 HA ARG 86 -4.002 13.442 -5.719 667 1HB ARG 86 HB2 ARG 86 -2.336 12.563 -3.996 668 2HB ARG 86 HB1 ARG 86 -2.284 11.081 -4.940 669 1HG ARG 86 HG2 ARG 86 -1.522 12.397 -6.891 670 2HG ARG 86 HG1 ARG 86 -1.495 13.838 -5.869 671 1HD ARG 86 HD2 ARG 86 0.159 11.337 -5.552 672 2HD ARG 86 HD1 ARG 86 0.730 12.940 -6.014 673 HE ARG 86 HE ARG 86 -0.473 13.241 -3.540 674 1HH1 ARG 86 HH11 ARG 86 2.237 11.483 -4.903 675 2HH1 ARG 86 HH12 ARG 86 3.121 11.428 -3.414 676 1HH2 ARG 86 HH21 ARG 86 0.689 13.141 -1.552 677 2HH2 ARG 86 HH22 ARG 86 2.238 12.348 -1.510 678 H ASN 87 HN ASN 87 -4.399 9.930 -5.508 679 HA ASN 87 HA ASN 87 -5.084 9.895 -8.371 680 1HB ASN 87 HB2 ASN 87 -3.436 7.792 -6.937 681 2HB ASN 87 HB1 ASN 87 -3.981 7.704 -8.606 682 1HD2 ASN 87 HD21 ASN 87 -1.755 9.146 -6.389 683 2HD2 ASN 87 HD22 ASN 87 -0.716 9.868 -7.574 684 HA PRO 88 HA PRO 88 -8.332 7.984 -5.757 685 1HB PRO 88 HB2 PRO 88 -10.353 9.483 -7.073 686 2HB PRO 88 HB1 PRO 88 -9.690 9.758 -5.462 687 1HG PRO 88 HG2 PRO 88 -9.382 11.445 -7.666 688 2HG PRO 88 HG1 PRO 88 -8.428 11.493 -6.177 689 1HD PRO 88 HD2 PRO 88 -7.749 10.319 -8.825 690 2HD PRO 88 HD1 PRO 88 -6.692 11.078 -7.618 691 H SER 89 HN SER 89 -7.844 6.051 -7.009 692 HA SER 89 HA SER 89 -9.962 5.544 -8.988 693 1HB SER 89 HB2 SER 89 -7.703 5.990 -10.069 694 2HB SER 89 HB1 SER 89 -7.129 4.519 -9.287 695 HG SER 89 HG SER 89 -8.427 3.309 -10.542 696 H TRP 90 HN TRP 90 -9.100 4.861 -6.047 697 HA TRP 90 HA TRP 90 -9.275 1.933 -6.323 698 1HB TRP 90 HB2 TRP 90 -8.053 3.356 -3.972 699 2HB TRP 90 HB1 TRP 90 -7.865 1.673 -4.445 700 HD1 TRP 90 HD1 TRP 90 -6.129 4.896 -4.638 701 HE1 TRP 90 HE1 TRP 90 -4.182 4.804 -6.308 702 HE3 TRP 90 HE3 TRP 90 -7.313 0.529 -7.014 703 HZ2 TRP 90 HZ2 TRP 90 -3.267 3.105 -8.372 704 HZ3 TRP 90 HZ3 TRP 90 -5.851 -0.260 -8.830 705 HH2 TRP 90 HH2 TRP 90 -3.871 1.004 -9.495 706 H LYS 91 HN LYS 91 -11.147 4.443 -5.592 707 HA LYS 91 HA LYS 91 -12.401 3.927 -3.191 708 1HB LYS 91 HB2 LYS 91 -13.621 4.889 -5.776 709 2HB LYS 91 HB1 LYS 91 -14.431 4.936 -4.219 710 1HG LYS 91 HG2 LYS 91 -12.646 6.413 -3.368 711 2HG LYS 91 HG1 LYS 91 -11.924 6.416 -4.981 712 1HD LYS 91 HD2 LYS 91 -14.020 7.334 -5.889 713 2HD LYS 91 HD1 LYS 91 -14.685 7.387 -4.257 714 1HE LYS 91 HE2 LYS 91 -12.939 8.950 -3.585 715 2HE LYS 91 HE1 LYS 91 -12.239 8.876 -5.206 716 1HZ LYS 91 HZ1 LYS 91 -13.608 10.832 -4.979 717 2HZ LYS 91 HZ2 LYS 91 -14.941 9.894 -4.500 718 3HZ LYS 91 HZ3 LYS 91 -14.331 9.761 -6.078 719 HA PRO 92 HA PRO 92 -15.246 0.657 -5.617 720 1HB PRO 92 HB2 PRO 92 -13.040 -0.411 -7.302 721 2HB PRO 92 HB1 PRO 92 -14.769 -0.296 -7.653 722 1HG PRO 92 HG2 PRO 92 -13.066 1.400 -8.772 723 2HG PRO 92 HG1 PRO 92 -14.641 1.966 -8.184 724 1HD PRO 92 HD2 PRO 92 -11.936 2.275 -6.956 725 2HD PRO 92 HD1 PRO 92 -13.285 3.426 -7.017 726 H LEU 93 HN LEU 93 -12.011 0.561 -4.468 727 HA LEU 93 HA LEU 93 -12.248 -2.242 -3.633 728 1HB LEU 93 HB2 LEU 93 -9.874 -0.415 -3.315 729 2HB LEU 93 HB1 LEU 93 -9.897 -2.166 -3.228 730 HG LEU 93 HG LEU 93 -10.474 -0.592 -5.739 731 1HD1 LEU 93 HD11 LEU 93 -8.168 -0.240 -5.036 732 2HD1 LEU 93 HD12 LEU 93 -8.229 -1.285 -6.456 733 3HD1 LEU 93 HD13 LEU 93 -7.937 -1.981 -4.863 734 1HD2 LEU 93 HD21 LEU 93 -9.968 -3.528 -5.226 735 2HD2 LEU 93 HD22 LEU 93 -10.113 -2.785 -6.821 736 3HD2 LEU 93 HD23 LEU 93 -11.493 -2.790 -5.723 737 H ILE 94 HN ILE 94 -11.537 0.973 -2.387 738 HA ILE 94 HA ILE 94 -11.795 -0.010 0.372 739 HB ILE 94 HB ILE 94 -10.571 2.006 1.020 740 1HG1 ILE 94 HG12 ILE 94 -10.501 2.622 -1.944 741 2HG1 ILE 94 HG11 ILE 94 -11.438 3.503 -0.740 742 1HG2 ILE 94 HG21 ILE 94 -9.230 0.585 -1.277 743 2HG2 ILE 94 HG22 ILE 94 -9.297 0.011 0.390 744 3HG2 ILE 94 HG23 ILE 94 -8.419 1.490 0.002 745 1HD1 ILE 94 HD11 ILE 94 -9.388 4.191 0.359 746 2HD1 ILE 94 HD12 ILE 94 -9.402 4.681 -1.337 747 3HD1 ILE 94 HD13 ILE 94 -8.444 3.288 -0.824 748 H HIS 95 HN HIS 95 -12.159 2.573 1.496 749 HA HIS 95 HA HIS 95 -14.894 3.218 0.762 750 1HB HIS 95 HB2 HIS 95 -13.047 4.342 2.883 751 2HB HIS 95 HB1 HIS 95 -14.700 4.896 2.627 752 HD1 HIS 95 HD1 HIS 95 -16.339 2.425 2.558 753 HD2 HIS 95 HD2 HIS 95 -13.044 2.802 5.064 754 HE1 HIS 95 HE1 HIS 95 -16.707 0.777 4.423 755 HE2 HIS 95 HE2 HIS 95 -14.812 1.191 6.038 756 H SER 96 HN SER 96 -12.349 5.482 1.631 757 HA SER 96 HA SER 96 -11.589 6.434 -0.855 758 1HB SER 96 HB2 SER 96 -12.801 8.671 -0.798 759 2HB SER 96 HB1 SER 96 -13.796 7.291 -1.272 760 HG SER 96 HG SER 96 -14.200 7.287 1.182 761 H GLU 97 HN GLU 97 -9.671 7.283 -0.320 762 HA GLU 97 HA GLU 97 -8.034 8.439 0.716 763 1HB GLU 97 HB2 GLU 97 -9.781 10.243 0.282 764 2HB GLU 97 HB1 GLU 97 -10.264 10.074 1.962 765 1HG GLU 97 HG2 GLU 97 -7.953 10.676 2.628 766 2HG GLU 97 HG1 GLU 97 -7.573 10.957 0.928 767 H VAL 98 HN VAL 98 -8.452 9.733 3.370 768 HA VAL 98 HA VAL 98 -7.769 7.433 4.974 769 HB VAL 98 HB VAL 98 -6.495 9.514 5.094 770 1HG1 VAL 98 HG11 VAL 98 -8.170 11.138 4.688 771 2HG1 VAL 98 HG12 VAL 98 -7.471 11.473 6.272 772 3HG1 VAL 98 HG13 VAL 98 -9.047 10.684 6.148 773 1HG2 VAL 98 HG21 VAL 98 -6.418 8.071 7.029 774 2HG2 VAL 98 HG22 VAL 98 -7.868 8.828 7.686 775 3HG2 VAL 98 HG23 VAL 98 -6.376 9.758 7.537 776 H PHE 99 HN PHE 99 -10.382 7.342 4.113 777 HA PHE 99 HA PHE 99 -12.326 6.467 4.915 778 1HB PHE 99 HB2 PHE 99 -11.179 6.993 7.664 779 2HB PHE 99 HB1 PHE 99 -12.622 6.047 7.322 780 HD1 PHE 99 HD1 PHE 99 -12.283 4.017 5.724 781 HD2 PHE 99 HD2 PHE 99 -9.148 5.932 7.870 782 HE1 PHE 99 HE1 PHE 99 -10.902 1.994 5.506 783 HE2 PHE 99 HE2 PHE 99 -7.761 3.913 7.656 784 HZ PHE 99 HZ PHE 99 -8.635 1.942 6.479 785 H LYS 100 HN LYS 100 -11.606 9.481 4.763 786 HA LYS 100 HA LYS 100 -13.325 10.764 6.636 787 1HB LYS 100 HB2 LYS 100 -12.895 12.739 4.983 788 2HB LYS 100 HB1 LYS 100 -11.576 12.113 5.965 789 1HG LYS 100 HG2 LYS 100 -10.681 12.375 3.822 790 2HG LYS 100 HG1 LYS 100 -10.985 10.652 3.985 791 1HD LYS 100 HD2 LYS 100 -11.772 11.159 1.837 792 2HD LYS 100 HD1 LYS 100 -13.218 11.120 2.834 793 1HE LYS 100 HE2 LYS 100 -13.014 13.028 1.193 794 2HE LYS 100 HE1 LYS 100 -13.418 13.455 2.853 795 1HZ LYS 100 HZ1 LYS 100 -11.262 14.266 3.224 796 2HZ LYS 100 HZ2 LYS 100 -11.673 14.848 1.683 797 3HZ LYS 100 HZ3 LYS 100 -10.631 13.519 1.835 798 H SER 101 HN SER 101 -14.024 9.091 3.794 799 HA SER 101 HA SER 101 -16.690 10.203 3.717 800 1HB SER 101 HB2 SER 101 -14.778 10.476 1.394 801 2HB SER 101 HB1 SER 101 -16.528 10.661 1.242 802 HG SER 101 HG SER 101 -15.710 12.148 3.296 803 H SER 102 HN SER 102 -17.597 9.248 1.399 804 HA SER 102 HA SER 102 -18.570 7.444 0.469 805 1HB SER 102 HB2 SER 102 -16.149 6.914 -0.095 806 2HB SER 102 HB1 SER 102 -16.153 5.829 1.294 807 HG SER 102 HG SER 102 -17.023 4.409 0.029 808 H ILE 103 HN ILE 103 -19.038 4.952 1.015 809 HA ILE 103 HA ILE 103 -19.533 4.686 3.891 810 HB ILE 103 HB ILE 103 -21.636 5.473 3.076 811 1HG1 ILE 103 HG12 ILE 103 -21.739 2.461 3.345 812 2HG1 ILE 103 HG11 ILE 103 -21.762 3.620 4.670 813 1HG2 ILE 103 HG21 ILE 103 -21.312 5.101 0.703 814 2HG2 ILE 103 HG22 ILE 103 -22.852 4.427 1.234 815 3HG2 ILE 103 HG23 ILE 103 -21.479 3.361 0.935 816 1HD1 ILE 103 HD11 ILE 103 -23.874 3.354 2.543 817 2HD1 ILE 103 HD12 ILE 103 -23.900 4.475 3.904 818 3HD1 ILE 103 HD13 ILE 103 -23.980 2.737 4.192 Start of MODEL 15 1 1H MET 1 HT1 MET 1 14.642 12.191 -12.845 2 2H MET 1 HT2 MET 1 14.082 11.052 -13.973 3 3H MET 1 HT3 MET 1 14.356 12.654 -14.451 4 HA MET 1 HA MET 1 16.100 11.138 -15.199 5 1HB MET 1 HB2 MET 1 16.594 13.514 -14.824 6 2HB MET 1 HB1 MET 1 16.957 13.177 -13.137 7 1HG MET 1 HG2 MET 1 18.856 11.832 -13.765 8 2HG MET 1 HG1 MET 1 18.464 12.023 -15.473 9 1HE MET 1 HE1 MET 1 21.760 14.125 -15.090 10 2HE MET 1 HE2 MET 1 20.957 12.835 -15.987 11 3HE MET 1 HE3 MET 1 21.355 12.608 -14.284 12 H ALA 2 HN ALA 2 16.153 11.598 -11.661 13 HA ALA 2 HA ALA 2 17.756 9.153 -11.404 14 1HB ALA 2 HB1 ALA 2 17.046 11.244 -9.343 15 2HB ALA 2 HB2 ALA 2 18.568 11.139 -10.230 16 3HB ALA 2 HB3 ALA 2 18.119 9.867 -9.095 17 H THR 3 HN THR 3 14.735 9.592 -11.895 18 HA THR 3 HA THR 3 13.463 8.386 -9.630 19 HB THR 3 HB THR 3 12.285 8.545 -12.397 20 HG1 THR 3 HG1 THR 3 11.589 10.725 -11.633 21 1HG2 THR 3 HG21 THR 3 10.979 7.424 -10.646 22 2HG2 THR 3 HG22 THR 3 10.209 8.926 -11.156 23 3HG2 THR 3 HG23 THR 3 11.097 8.864 -9.634 24 H GLU 4 HN GLU 4 14.780 6.497 -9.432 25 HA GLU 4 HA GLU 4 14.991 4.593 -11.546 26 1HB GLU 4 HB2 GLU 4 15.541 4.299 -8.586 27 2HB GLU 4 HB1 GLU 4 16.013 3.146 -9.828 28 1HG GLU 4 HG2 GLU 4 16.977 5.991 -9.608 29 2HG GLU 4 HG1 GLU 4 17.879 4.551 -9.138 30 HA PRO 5 HA PRO 5 11.157 2.463 -10.904 31 1HB PRO 5 HB2 PRO 5 12.469 0.087 -12.019 32 2HB PRO 5 HB1 PRO 5 11.127 1.034 -12.670 33 1HG PRO 5 HG2 PRO 5 13.581 1.057 -13.788 34 2HG PRO 5 HG1 PRO 5 12.521 2.478 -13.797 35 1HD PRO 5 HD2 PRO 5 14.865 1.875 -12.033 36 2HD PRO 5 HD1 PRO 5 14.389 3.410 -12.791 37 HA PRO 6 HA PRO 6 12.362 0.570 -6.981 38 1HB PRO 6 HB2 PRO 6 9.423 0.290 -6.775 39 2HB PRO 6 HB1 PRO 6 10.562 1.035 -5.651 40 1HG PRO 6 HG2 PRO 6 8.925 2.538 -7.120 41 2HG PRO 6 HG1 PRO 6 10.599 3.047 -6.817 42 1HD PRO 6 HD2 PRO 6 9.418 1.783 -9.264 43 2HD PRO 6 HD1 PRO 6 10.580 3.123 -9.138 44 H LYS 7 HN LYS 7 12.350 -1.541 -6.191 45 HA LYS 7 HA LYS 7 11.150 -3.530 -7.990 46 1HB LYS 7 HB2 LYS 7 13.752 -3.262 -7.906 47 2HB LYS 7 HB1 LYS 7 13.614 -4.100 -6.369 48 1HG LYS 7 HG2 LYS 7 14.037 -5.832 -7.821 49 2HG LYS 7 HG1 LYS 7 12.275 -5.853 -7.741 50 1HD LYS 7 HD2 LYS 7 13.895 -4.495 -9.896 51 2HD LYS 7 HD1 LYS 7 13.143 -6.082 -10.048 52 1HE LYS 7 HE2 LYS 7 10.948 -5.119 -9.820 53 2HE LYS 7 HE1 LYS 7 11.637 -3.533 -9.473 54 1HZ LYS 7 HZ1 LYS 7 12.619 -3.580 -11.730 55 2HZ LYS 7 HZ2 LYS 7 10.924 -3.580 -11.732 56 3HZ LYS 7 HZ3 LYS 7 11.769 -5.014 -12.045 57 H ILE 8 HN ILE 8 9.307 -3.751 -6.778 58 HA ILE 8 HA ILE 8 9.584 -4.045 -3.899 59 HB ILE 8 HB ILE 8 6.997 -4.082 -5.451 60 1HG1 ILE 8 HG12 ILE 8 8.353 -2.025 -5.970 61 2HG1 ILE 8 HG11 ILE 8 6.820 -1.693 -5.167 62 1HG2 ILE 8 HG21 ILE 8 7.688 -3.402 -2.592 63 2HG2 ILE 8 HG22 ILE 8 6.856 -4.853 -3.158 64 3HG2 ILE 8 HG23 ILE 8 6.079 -3.278 -3.311 65 1HD1 ILE 8 HD11 ILE 8 8.027 -1.437 -3.045 66 2HD1 ILE 8 HD12 ILE 8 8.577 -0.299 -4.273 67 3HD1 ILE 8 HD13 ILE 8 9.546 -1.724 -3.892 68 H VAL 9 HN VAL 9 9.663 -5.934 -2.939 69 HA VAL 9 HA VAL 9 8.986 -8.338 -4.495 70 HB VAL 9 HB VAL 9 10.732 -8.148 -2.040 71 1HG1 VAL 9 HG11 VAL 9 10.389 -10.338 -4.085 72 2HG1 VAL 9 HG12 VAL 9 9.777 -10.358 -2.431 73 3HG1 VAL 9 HG13 VAL 9 11.516 -10.362 -2.728 74 1HG2 VAL 9 HG21 VAL 9 11.522 -8.200 -4.943 75 2HG2 VAL 9 HG22 VAL 9 12.633 -8.316 -3.577 76 3HG2 VAL 9 HG23 VAL 9 11.698 -6.840 -3.833 77 H TRP 10 HN TRP 10 7.313 -9.513 -3.886 78 HA TRP 10 HA TRP 10 5.802 -8.813 -1.564 79 1HB TRP 10 HB2 TRP 10 4.659 -9.513 -3.572 80 2HB TRP 10 HB1 TRP 10 5.497 -11.062 -3.562 81 HD1 TRP 10 HD1 TRP 10 3.946 -9.632 -0.356 82 HE1 TRP 10 HE1 TRP 10 2.008 -11.157 0.369 83 HE3 TRP 10 HE3 TRP 10 3.756 -12.702 -4.441 84 HZ2 TRP 10 HZ2 TRP 10 0.577 -13.365 -0.658 85 HZ3 TRP 10 HZ3 TRP 10 2.068 -14.491 -4.492 86 HH2 TRP 10 HH2 TRP 10 0.512 -14.813 -2.640 87 H ASN 11 HN ASN 11 6.481 -9.321 0.365 88 HA ASN 11 HA ASN 11 8.011 -11.737 0.869 89 1HB ASN 11 HB2 ASN 11 8.559 -9.516 1.930 90 2HB ASN 11 HB1 ASN 11 7.062 -9.656 2.845 91 1HD2 ASN 11 HD21 ASN 11 9.883 -9.554 3.662 92 2HD2 ASN 11 HD22 ASN 11 10.123 -10.951 4.660 93 H GLU 12 HN GLU 12 6.396 -13.225 0.333 94 HA GLU 12 HA GLU 12 3.795 -13.336 1.108 95 1HB GLU 12 HB2 GLU 12 5.240 -14.808 -0.459 96 2HB GLU 12 HB1 GLU 12 5.482 -15.802 0.975 97 1HG GLU 12 HG2 GLU 12 3.068 -16.054 1.196 98 2HG GLU 12 HG1 GLU 12 2.859 -15.065 -0.251 99 H GLY 13 HN GLY 13 6.633 -14.422 2.949 100 1HA GLY 13 HA2 GLY 13 5.193 -15.928 4.866 101 2HA GLY 13 HA1 GLY 13 6.833 -15.323 5.050 102 H LYS 14 HN LYS 14 5.636 -12.557 4.488 103 HA LYS 14 HA LYS 14 4.726 -12.091 7.252 104 1HB LYS 14 HB2 LYS 14 6.353 -10.410 5.360 105 2HB LYS 14 HB1 LYS 14 5.502 -9.680 6.708 106 1HG LYS 14 HG2 LYS 14 7.844 -10.077 7.222 107 2HG LYS 14 HG1 LYS 14 6.789 -11.019 8.273 108 1HD LYS 14 HD2 LYS 14 7.249 -13.022 7.069 109 2HD LYS 14 HD1 LYS 14 8.068 -12.130 5.785 110 1HE LYS 14 HE2 LYS 14 9.853 -11.542 7.266 111 2HE LYS 14 HE1 LYS 14 9.014 -12.253 8.645 112 1HZ LYS 14 HZ1 LYS 14 10.736 -13.723 7.820 113 2HZ LYS 14 HZ2 LYS 14 10.043 -13.721 6.271 114 3HZ LYS 14 HZ3 LYS 14 9.210 -14.421 7.569 115 H ARG 15 HN ARG 15 3.628 -12.281 4.157 116 HA ARG 15 HA ARG 15 1.837 -11.499 2.979 117 1HB ARG 15 HB2 ARG 15 0.834 -10.515 5.661 118 2HB ARG 15 HB1 ARG 15 -0.128 -10.783 4.218 119 1HG ARG 15 HG2 ARG 15 -0.059 -13.085 4.440 120 2HG ARG 15 HG1 ARG 15 1.377 -13.037 5.471 121 1HD ARG 15 HD2 ARG 15 -1.393 -12.096 6.216 122 2HD ARG 15 HD1 ARG 15 -0.595 -13.563 6.792 123 HE ARG 15 HE ARG 15 1.025 -11.322 7.350 124 1HH1 ARG 15 HH11 ARG 15 -1.953 -12.836 8.404 125 2HH1 ARG 15 HH12 ARG 15 -1.833 -12.228 10.030 126 1HH2 ARG 15 HH21 ARG 15 1.198 -10.530 9.482 127 2HH2 ARG 15 HH22 ARG 15 -0.017 -10.947 10.656 128 H ARG 16 HN ARG 16 3.947 -9.870 2.710 129 HA ARG 16 HA ARG 16 2.775 -7.208 2.733 130 1HB ARG 16 HB2 ARG 16 4.384 -6.201 4.115 131 2HB ARG 16 HB1 ARG 16 3.934 -7.676 4.946 132 1HG ARG 16 HG2 ARG 16 5.959 -8.763 4.154 133 2HG ARG 16 HG1 ARG 16 6.419 -7.283 3.303 134 1HD ARG 16 HD2 ARG 16 6.319 -6.096 5.504 135 2HD ARG 16 HD1 ARG 16 6.089 -7.663 6.273 136 HE ARG 16 HE ARG 16 8.397 -7.727 4.648 137 1HH1 ARG 16 HH11 ARG 16 7.215 -6.437 7.686 138 2HH1 ARG 16 HH12 ARG 16 8.804 -6.276 8.376 139 1HH2 ARG 16 HH21 ARG 16 10.462 -7.556 5.542 140 2HH2 ARG 16 HH22 ARG 16 10.661 -6.929 7.155 141 H PHE 17 HN PHE 17 4.149 -5.611 1.584 142 HA PHE 17 HA PHE 17 5.865 -6.933 -0.416 143 1HB PHE 17 HB2 PHE 17 4.568 -4.212 -0.648 144 2HB PHE 17 HB1 PHE 17 5.425 -5.089 -1.910 145 HD1 PHE 17 HD1 PHE 17 2.288 -4.263 -0.627 146 HD2 PHE 17 HD2 PHE 17 4.411 -7.462 -2.465 147 HE1 PHE 17 HE1 PHE 17 0.161 -5.250 -1.365 148 HE2 PHE 17 HE2 PHE 17 2.286 -8.451 -3.210 149 HZ PHE 17 HZ PHE 17 0.156 -7.344 -2.660 150 H GLU 18 HN GLU 18 7.949 -6.414 -0.505 151 HA GLU 18 HA GLU 18 8.925 -4.253 1.248 152 1HB GLU 18 HB2 GLU 18 9.614 -7.025 1.016 153 2HB GLU 18 HB1 GLU 18 11.015 -6.046 0.608 154 1HG GLU 18 HG2 GLU 18 10.939 -4.962 2.733 155 2HG GLU 18 HG1 GLU 18 9.402 -5.738 3.127 156 H THR 19 HN THR 19 10.048 -2.653 0.333 157 HA THR 19 HA THR 19 10.262 -2.554 -2.510 158 HB THR 19 HB THR 19 9.884 -0.566 -1.025 159 HG1 THR 19 HG1 THR 19 12.137 0.255 -2.354 160 1HG2 THR 19 HG21 THR 19 11.599 -1.172 0.669 161 2HG2 THR 19 HG22 THR 19 11.720 0.488 0.088 162 3HG2 THR 19 HG23 THR 19 12.841 -0.735 -0.500 163 H GLU 20 HN GLU 20 12.511 -1.617 -3.328 164 HA GLU 20 HA GLU 20 14.313 -3.774 -3.393 165 1HB GLU 20 HB2 GLU 20 15.819 -1.927 -4.479 166 2HB GLU 20 HB1 GLU 20 14.377 -2.500 -5.301 167 1HG GLU 20 HG2 GLU 20 14.616 -0.071 -5.433 168 2HG GLU 20 HG1 GLU 20 13.140 -0.555 -4.604 169 H ASP 21 HN ASP 21 13.820 -1.540 -1.074 170 HA ASP 21 HA ASP 21 16.579 -1.382 -0.108 171 1HB ASP 21 HB2 ASP 21 14.917 0.606 -0.295 172 2HB ASP 21 HB1 ASP 21 14.175 -0.078 1.145 173 H HIS 22 HN HIS 22 13.551 -2.885 0.493 174 HA HIS 22 HA HIS 22 12.857 -4.504 1.898 175 1HB HIS 22 HB2 HIS 22 15.808 -4.723 2.461 176 2HB HIS 22 HB1 HIS 22 14.616 -5.776 3.220 177 HD1 HIS 22 HD1 HIS 22 13.455 -7.529 1.727 178 HD2 HIS 22 HD2 HIS 22 16.283 -5.203 -0.251 179 HE1 HIS 22 HE1 HIS 22 13.895 -8.706 -0.463 180 HE2 HIS 22 HE2 HIS 22 15.713 -7.355 -1.581 181 H GLU 23 HN GLU 23 14.278 -1.697 3.002 182 HA GLU 23 HA GLU 23 13.528 -2.153 5.781 183 1HB GLU 23 HB2 GLU 23 14.728 0.283 4.445 184 2HB GLU 23 HB1 GLU 23 14.483 0.079 6.176 185 1HG GLU 23 HG2 GLU 23 16.296 -1.562 4.414 186 2HG GLU 23 HG1 GLU 23 16.788 -0.329 5.589 187 H ALA 24 HN ALA 24 12.458 -0.640 2.892 188 HA ALA 24 HA ALA 24 10.146 0.501 4.266 189 1HB ALA 24 HB1 ALA 24 10.891 0.689 1.351 190 2HB ALA 24 HB2 ALA 24 11.309 1.889 2.574 191 3HB ALA 24 HB3 ALA 24 9.616 1.585 2.179 192 H PHE 25 HN PHE 25 8.247 -0.500 4.244 193 HA PHE 25 HA PHE 25 7.642 -2.518 2.262 194 1HB PHE 25 HB2 PHE 25 7.183 -4.265 3.941 195 2HB PHE 25 HB1 PHE 25 8.895 -3.857 3.859 196 HD1 PHE 25 HD1 PHE 25 5.894 -3.879 5.904 197 HD2 PHE 25 HD2 PHE 25 9.947 -2.589 5.687 198 HE1 PHE 25 HE1 PHE 25 5.896 -3.484 8.333 199 HE2 PHE 25 HE2 PHE 25 9.956 -2.200 8.113 200 HZ PHE 25 HZ PHE 25 7.921 -2.654 9.442 201 H ILE 26 HN ILE 26 5.469 -3.334 2.489 202 HA ILE 26 HA ILE 26 3.778 -1.864 4.363 203 HB ILE 26 HB ILE 26 3.735 -1.379 1.621 204 1HG1 ILE 26 HG12 ILE 26 1.762 -0.882 3.838 205 2HG1 ILE 26 HG11 ILE 26 3.039 0.182 3.257 206 1HG2 ILE 26 HG21 ILE 26 1.520 -2.111 0.872 207 2HG2 ILE 26 HG22 ILE 26 1.329 -3.052 2.353 208 3HG2 ILE 26 HG23 ILE 26 2.577 -3.488 1.187 209 1HD1 ILE 26 HD11 ILE 26 1.843 0.439 1.141 210 2HD1 ILE 26 HD12 ILE 26 0.874 0.953 2.523 211 3HD1 ILE 26 HD13 ILE 26 0.557 -0.605 1.756 212 H GLU 27 HN GLU 27 2.432 -3.142 5.466 213 HA GLU 27 HA GLU 27 2.433 -5.990 4.752 214 1HB GLU 27 HB2 GLU 27 3.104 -5.400 7.051 215 2HB GLU 27 HB1 GLU 27 1.568 -4.581 7.296 216 1HG GLU 27 HG2 GLU 27 0.445 -6.784 6.887 217 2HG GLU 27 HG1 GLU 27 2.046 -7.523 6.924 218 H TYR 28 HN TYR 28 0.350 -7.162 4.891 219 HA TYR 28 HA TYR 28 -2.043 -5.575 5.092 220 1HB TYR 28 HB2 TYR 28 -2.942 -6.032 2.915 221 2HB TYR 28 HB1 TYR 28 -1.342 -5.350 2.682 222 HD1 TYR 28 HD1 TYR 28 -3.359 -8.412 2.449 223 HD2 TYR 28 HD2 TYR 28 0.443 -6.649 1.719 224 HE1 TYR 28 HE1 TYR 28 -2.742 -10.335 1.047 225 HE2 TYR 28 HE2 TYR 28 1.069 -8.562 0.312 226 HH TYR 28 HH TYR 28 0.460 -10.876 -0.027 227 H LYS 29 HN LYS 29 -3.900 -6.830 5.478 228 HA LYS 29 HA LYS 29 -3.551 -9.732 5.444 229 1HB LYS 29 HB2 LYS 29 -4.663 -9.957 7.634 230 2HB LYS 29 HB1 LYS 29 -3.109 -9.150 7.756 231 1HG LYS 29 HG2 LYS 29 -5.352 -7.313 7.439 232 2HG LYS 29 HG1 LYS 29 -5.457 -8.315 8.888 233 1HD LYS 29 HD2 LYS 29 -3.145 -6.557 8.078 234 2HD LYS 29 HD1 LYS 29 -4.287 -6.254 9.387 235 1HE LYS 29 HE2 LYS 29 -3.512 -8.322 10.494 236 2HE LYS 29 HE1 LYS 29 -2.329 -8.532 9.205 237 1HZ LYS 29 HZ1 LYS 29 -1.346 -7.520 11.160 238 2HZ LYS 29 HZ2 LYS 29 -2.432 -6.225 11.075 239 3HZ LYS 29 HZ3 LYS 29 -1.284 -6.458 9.843 240 H MET 30 HN MET 30 -5.351 -10.846 4.867 241 HA MET 30 HA MET 30 -7.509 -9.246 3.811 242 1HB MET 30 HB2 MET 30 -8.390 -11.360 2.926 243 2HB MET 30 HB1 MET 30 -6.707 -11.137 2.500 244 1HG MET 30 HG2 MET 30 -6.020 -12.691 4.201 245 2HG MET 30 HG1 MET 30 -7.684 -12.843 4.760 246 1HE MET 30 HE1 MET 30 -6.325 -12.666 1.049 247 2HE MET 30 HE2 MET 30 -6.142 -14.383 0.691 248 3HE MET 30 HE3 MET 30 -5.122 -13.626 1.914 249 H ARG 31 HN ARG 31 -9.123 -8.620 4.960 250 HA ARG 31 HA ARG 31 -9.862 -10.049 7.422 251 1HB ARG 31 HB2 ARG 31 -10.316 -7.213 6.480 252 2HB ARG 31 HB1 ARG 31 -11.090 -7.878 7.910 253 1HG ARG 31 HG2 ARG 31 -8.985 -8.154 9.005 254 2HG ARG 31 HG1 ARG 31 -8.107 -7.756 7.526 255 1HD ARG 31 HD2 ARG 31 -8.174 -5.885 9.136 256 2HD ARG 31 HD1 ARG 31 -8.925 -5.491 7.592 257 HE ARG 31 HE ARG 31 -10.918 -6.405 9.343 258 1HH1 ARG 31 HH11 ARG 31 -8.755 -3.674 8.944 259 2HH1 ARG 31 HH12 ARG 31 -9.827 -2.553 9.734 260 1HH2 ARG 31 HH21 ARG 31 -12.343 -4.919 10.355 261 2HH2 ARG 31 HH22 ARG 31 -11.856 -3.257 10.550 262 H ASN 32 HN ASN 32 -12.117 -10.230 7.927 263 HA ASN 32 HA ASN 32 -14.289 -10.758 7.528 264 1HB ASN 32 HB2 ASN 32 -14.216 -8.318 6.715 265 2HB ASN 32 HB1 ASN 32 -14.161 -8.987 5.088 266 1HD2 ASN 32 HD21 ASN 32 -16.148 -7.931 4.662 267 2HD2 ASN 32 HD22 ASN 32 -17.636 -8.619 5.214 268 H ASN 33 HN ASN 33 -13.240 -12.878 6.961 269 HA ASN 33 HA ASN 33 -13.189 -14.786 5.727 270 1HB ASN 33 HB2 ASN 33 -15.277 -13.301 4.131 271 2HB ASN 33 HB1 ASN 33 -14.793 -14.952 3.762 272 1HD2 ASN 33 HD21 ASN 33 -17.376 -13.976 4.544 273 2HD2 ASN 33 HD22 ASN 33 -17.792 -14.803 6.015 274 H GLY 34 HN GLY 34 -11.675 -12.184 4.884 275 1HA GLY 34 HA2 GLY 34 -9.809 -11.981 3.508 276 2HA GLY 34 HA1 GLY 34 -10.276 -13.474 2.703 277 H LYS 35 HN LYS 35 -12.614 -10.951 3.106 278 HA LYS 35 HA LYS 35 -12.725 -10.627 0.218 279 1HB LYS 35 HB2 LYS 35 -14.493 -9.356 2.318 280 2HB LYS 35 HB1 LYS 35 -14.796 -9.417 0.589 281 1HG LYS 35 HG2 LYS 35 -14.764 -11.745 2.495 282 2HG LYS 35 HG1 LYS 35 -16.175 -11.031 1.711 283 1HD LYS 35 HD2 LYS 35 -15.450 -11.769 -0.435 284 2HD LYS 35 HD1 LYS 35 -13.879 -12.261 0.201 285 1HE LYS 35 HE2 LYS 35 -15.023 -13.943 1.606 286 2HE LYS 35 HE1 LYS 35 -16.552 -13.490 0.852 287 1HZ LYS 35 HZ1 LYS 35 -15.419 -15.487 -0.104 288 2HZ LYS 35 HZ2 LYS 35 -14.214 -14.449 -0.697 289 3HZ LYS 35 HZ3 LYS 35 -15.817 -14.281 -1.228 290 H VAL 36 HN VAL 36 -11.661 -8.950 3.037 291 HA VAL 36 HA VAL 36 -11.148 -6.534 1.432 292 HB VAL 36 HB VAL 36 -11.783 -6.845 4.370 293 1HG1 VAL 36 HG11 VAL 36 -11.379 -4.456 4.630 294 2HG1 VAL 36 HG12 VAL 36 -10.834 -4.349 2.957 295 3HG1 VAL 36 HG13 VAL 36 -9.902 -5.280 4.130 296 1HG2 VAL 36 HG21 VAL 36 -13.587 -5.284 3.852 297 2HG2 VAL 36 HG22 VAL 36 -13.685 -6.725 2.840 298 3HG2 VAL 36 HG23 VAL 36 -13.058 -5.218 2.171 299 H MET 37 HN MET 37 -9.069 -6.120 1.031 300 HA MET 37 HA MET 37 -7.025 -7.353 2.707 301 1HB MET 37 HB2 MET 37 -6.975 -5.947 0.051 302 2HB MET 37 HB1 MET 37 -5.492 -6.105 0.990 303 1HG MET 37 HG2 MET 37 -5.900 -8.572 1.052 304 2HG MET 37 HG1 MET 37 -7.223 -8.315 -0.084 305 1HE MET 37 HE1 MET 37 -4.341 -9.958 -2.228 306 2HE MET 37 HE2 MET 37 -5.991 -10.143 -1.632 307 3HE MET 37 HE3 MET 37 -4.631 -10.252 -0.514 308 H ASP 38 HN ASP 38 -6.483 -6.359 4.474 309 HA ASP 38 HA ASP 38 -6.767 -3.481 4.702 310 1HB ASP 38 HB2 ASP 38 -7.428 -5.147 6.514 311 2HB ASP 38 HB1 ASP 38 -5.706 -5.395 6.788 312 H LEU 39 HN LEU 39 -5.217 -2.343 3.835 313 HA LEU 39 HA LEU 39 -2.501 -3.257 3.669 314 1HB LEU 39 HB2 LEU 39 -3.912 -0.713 2.921 315 2HB LEU 39 HB1 LEU 39 -2.163 -0.805 2.897 316 HG LEU 39 HG LEU 39 -2.167 -2.420 1.164 317 1HD1 LEU 39 HD11 LEU 39 -5.162 -2.568 1.393 318 2HD1 LEU 39 HD12 LEU 39 -4.032 -3.803 1.947 319 3HD1 LEU 39 HD13 LEU 39 -4.154 -3.426 0.228 320 1HD2 LEU 39 HD21 LEU 39 -4.248 -0.318 0.605 321 2HD2 LEU 39 HD22 LEU 39 -3.396 -1.256 -0.620 322 3HD2 LEU 39 HD23 LEU 39 -2.503 -0.145 0.420 323 H VAL 40 HN VAL 40 -1.392 -3.385 5.469 324 HA VAL 40 HA VAL 40 -1.937 -1.439 7.600 325 HB VAL 40 HB VAL 40 -0.808 -4.242 7.782 326 1HG1 VAL 40 HG11 VAL 40 0.109 -2.814 9.518 327 2HG1 VAL 40 HG12 VAL 40 -1.029 -3.975 10.201 328 3HG1 VAL 40 HG13 VAL 40 -1.515 -2.296 9.971 329 1HG2 VAL 40 HG21 VAL 40 -3.211 -4.119 7.224 330 2HG2 VAL 40 HG22 VAL 40 -3.474 -3.189 8.700 331 3HG2 VAL 40 HG23 VAL 40 -2.896 -4.855 8.795 332 H HIS 41 HN HIS 41 -0.407 0.099 7.656 333 HA HIS 41 HA HIS 41 1.555 0.941 8.410 334 1HB HIS 41 HB2 HIS 41 1.732 -1.292 9.632 335 2HB HIS 41 HB1 HIS 41 2.757 -1.819 8.306 336 HD1 HIS 41 HD1 HIS 41 2.918 -0.320 11.544 337 HD2 HIS 41 HD2 HIS 41 5.140 -0.007 8.042 338 HE1 HIS 41 HE1 HIS 41 5.148 0.606 12.240 339 HE2 HIS 41 HE2 HIS 41 6.556 0.500 10.157 340 H THR 42 HN THR 42 1.903 2.123 6.599 341 HA THR 42 HA THR 42 3.724 1.031 4.593 342 HB THR 42 HB THR 42 1.995 2.451 3.647 343 HG1 THR 42 HG1 THR 42 3.550 3.097 2.397 344 1HG2 THR 42 HG21 THR 42 2.954 4.573 5.568 345 2HG2 THR 42 HG22 THR 42 1.409 3.722 5.646 346 3HG2 THR 42 HG23 THR 42 1.752 4.806 4.297 347 H TYR 43 HN TYR 43 5.885 1.251 4.863 348 HA TYR 43 HA TYR 43 6.815 3.571 6.367 349 1HB TYR 43 HB2 TYR 43 6.626 1.358 7.781 350 2HB TYR 43 HB1 TYR 43 8.139 0.962 6.966 351 HD1 TYR 43 HD1 TYR 43 6.528 3.769 8.788 352 HD2 TYR 43 HD2 TYR 43 10.126 1.671 7.953 353 HE1 TYR 43 HE1 TYR 43 7.718 5.218 10.365 354 HE2 TYR 43 HE2 TYR 43 11.339 3.112 9.535 355 HH TYR 43 HH TYR 43 11.085 5.408 10.496 356 H VAL 44 HN VAL 44 8.950 4.175 5.959 357 HA VAL 44 HA VAL 44 10.485 2.881 3.905 358 HB VAL 44 HB VAL 44 8.770 3.984 2.540 359 1HG1 VAL 44 HG11 VAL 44 8.126 5.754 4.072 360 2HG1 VAL 44 HG12 VAL 44 8.557 6.424 2.499 361 3HG1 VAL 44 HG13 VAL 44 9.689 6.541 3.848 362 1HG2 VAL 44 HG21 VAL 44 10.224 5.304 1.078 363 2HG2 VAL 44 HG22 VAL 44 11.022 3.829 1.626 364 3HG2 VAL 44 HG23 VAL 44 11.438 5.379 2.356 365 HA PRO 45 HA PRO 45 13.640 5.131 6.205 366 1HB PRO 45 HB2 PRO 45 15.226 4.808 3.724 367 2HB PRO 45 HB1 PRO 45 15.609 4.312 5.374 368 1HG PRO 45 HG2 PRO 45 14.931 2.516 3.515 369 2HG PRO 45 HG1 PRO 45 14.417 2.338 5.204 370 1HD PRO 45 HD2 PRO 45 12.853 3.272 2.830 371 2HD PRO 45 HD1 PRO 45 12.345 2.240 4.183 372 H SER 46 HN SER 46 14.708 7.159 6.089 373 HA SER 46 HA SER 46 13.188 9.181 4.918 374 1HB SER 46 HB2 SER 46 16.060 9.395 5.836 375 2HB SER 46 HB1 SER 46 14.882 10.703 5.721 376 HG SER 46 HG SER 46 15.339 9.293 7.821 377 H PHE 47 HN PHE 47 15.758 7.335 3.598 378 HA PHE 47 HA PHE 47 16.742 9.037 1.622 379 1HB PHE 47 HB2 PHE 47 16.409 6.031 1.534 380 2HB PHE 47 HB1 PHE 47 17.444 6.977 0.467 381 HD1 PHE 47 HD1 PHE 47 17.207 5.248 3.572 382 HD2 PHE 47 HD2 PHE 47 19.326 8.325 1.535 383 HE1 PHE 47 HE1 PHE 47 19.049 5.044 5.190 384 HE2 PHE 47 HE2 PHE 47 21.174 8.128 3.149 385 HZ PHE 47 HZ PHE 47 21.037 6.487 4.980 386 H LYS 48 HN LYS 48 13.759 7.199 1.755 387 HA LYS 48 HA LYS 48 13.097 8.191 -0.932 388 1HB LYS 48 HB2 LYS 48 12.835 5.350 0.051 389 2HB LYS 48 HB1 LYS 48 11.965 5.955 -1.352 390 1HG LYS 48 HG2 LYS 48 14.054 6.451 -2.475 391 2HG LYS 48 HG1 LYS 48 14.965 5.941 -1.053 392 1HD LYS 48 HD2 LYS 48 13.067 4.107 -2.497 393 2HD LYS 48 HD1 LYS 48 14.764 4.263 -2.957 394 1HE LYS 48 HE2 LYS 48 14.501 3.885 -0.112 395 2HE LYS 48 HE1 LYS 48 13.678 2.595 -0.989 396 1HZ LYS 48 HZ1 LYS 48 16.470 3.434 -1.566 397 2HZ LYS 48 HZ2 LYS 48 15.673 2.041 -2.128 398 3HZ LYS 48 HZ3 LYS 48 16.086 2.185 -0.486 399 H ARG 49 HN ARG 49 12.295 8.768 1.986 400 HA ARG 49 HA ARG 49 9.627 7.998 2.380 401 1HB ARG 49 HB2 ARG 49 11.234 10.327 3.393 402 2HB ARG 49 HB1 ARG 49 9.529 10.166 3.789 403 1HG ARG 49 HG2 ARG 49 9.961 8.007 4.824 404 2HG ARG 49 HG1 ARG 49 11.669 8.137 4.401 405 1HD ARG 49 HD2 ARG 49 11.240 8.740 6.744 406 2HD ARG 49 HD1 ARG 49 11.906 10.083 5.817 407 HE ARG 49 HE ARG 49 9.456 10.797 5.646 408 1HH1 ARG 49 HH11 ARG 49 10.847 9.140 8.401 409 2HH1 ARG 49 HH12 ARG 49 9.710 9.806 9.539 410 1HH2 ARG 49 HH21 ARG 49 7.998 11.724 7.135 411 2HH2 ARG 49 HH22 ARG 49 8.127 11.322 8.825 412 H GLY 50 HN GLY 50 10.773 11.202 1.302 413 1HA GLY 50 HA2 GLY 50 8.111 11.872 0.390 414 2HA GLY 50 HA1 GLY 50 9.535 12.900 0.319 415 H LEU 51 HN LEU 51 10.039 9.783 -0.943 416 HA LEU 51 HA LEU 51 10.304 10.915 -3.602 417 1HB LEU 51 HB2 LEU 51 12.018 9.386 -2.594 418 2HB LEU 51 HB1 LEU 51 10.836 8.093 -2.688 419 HG LEU 51 HG LEU 51 10.777 8.352 -5.150 420 1HD1 LEU 51 HD11 LEU 51 13.044 10.290 -4.690 421 2HD1 LEU 51 HD12 LEU 51 11.435 10.698 -5.287 422 3HD1 LEU 51 HD13 LEU 51 12.505 9.683 -6.255 423 1HD2 LEU 51 HD21 LEU 51 12.220 6.681 -4.131 424 2HD2 LEU 51 HD22 LEU 51 13.512 7.872 -3.973 425 3HD2 LEU 51 HD23 LEU 51 12.974 7.360 -5.573 426 H GLY 52 HN GLY 52 8.060 8.996 -1.814 427 1HA GLY 52 HA2 GLY 52 5.827 8.824 -2.887 428 2HA GLY 52 HA1 GLY 52 6.688 8.357 -4.345 429 H LEU 53 HN LEU 53 8.559 6.781 -2.556 430 HA LEU 53 HA LEU 53 7.640 4.320 -3.377 431 1HB LEU 53 HB2 LEU 53 9.978 4.979 -2.731 432 2HB LEU 53 HB1 LEU 53 9.502 4.816 -1.054 433 HG LEU 53 HG LEU 53 10.784 2.880 -2.153 434 1HD1 LEU 53 HD11 LEU 53 9.733 2.707 0.037 435 2HD1 LEU 53 HD12 LEU 53 9.546 1.208 -0.875 436 3HD1 LEU 53 HD13 LEU 53 8.190 2.325 -0.726 437 1HD2 LEU 53 HD21 LEU 53 8.038 2.426 -3.311 438 2HD2 LEU 53 HD22 LEU 53 9.340 1.236 -3.296 439 3HD2 LEU 53 HD23 LEU 53 9.526 2.734 -4.208 440 H ALA 54 HN ALA 54 7.242 5.814 -0.170 441 HA ALA 54 HA ALA 54 6.157 3.662 1.199 442 1HB ALA 54 HB1 ALA 54 5.365 6.562 1.476 443 2HB ALA 54 HB2 ALA 54 6.757 5.800 2.247 444 3HB ALA 54 HB3 ALA 54 5.124 5.293 2.677 445 H SER 55 HN SER 55 4.462 6.132 -0.668 446 HA SER 55 HA SER 55 1.899 4.959 -0.479 447 1HB SER 55 HB2 SER 55 2.930 6.844 -2.616 448 2HB SER 55 HB1 SER 55 1.249 6.585 -2.149 449 HG SER 55 HG SER 55 2.543 7.219 0.053 450 H HIS 56 HN HIS 56 4.580 4.551 -2.738 451 HA HIS 56 HA HIS 56 3.186 3.159 -4.761 452 1HB HIS 56 HB2 HIS 56 6.074 3.192 -3.920 453 2HB HIS 56 HB1 HIS 56 5.516 2.051 -5.134 454 HD1 HIS 56 HD1 HIS 56 6.148 2.892 -7.359 455 HD2 HIS 56 HD2 HIS 56 4.903 5.968 -4.847 456 HE1 HIS 56 HE1 HIS 56 6.227 4.989 -8.749 457 HE2 HIS 56 HE2 HIS 56 5.593 6.852 -7.181 458 H LEU 57 HN LEU 57 4.524 2.159 -1.691 459 HA LEU 57 HA LEU 57 4.232 -0.631 -2.009 460 1HB LEU 57 HB2 LEU 57 4.036 1.022 0.515 461 2HB LEU 57 HB1 LEU 57 4.280 -0.712 0.446 462 HG LEU 57 HG LEU 57 6.230 1.276 -0.712 463 1HD1 LEU 57 HD11 LEU 57 6.051 1.644 1.677 464 2HD1 LEU 57 HD12 LEU 57 7.581 0.855 1.290 465 3HD1 LEU 57 HD13 LEU 57 6.253 -0.082 1.976 466 1HD2 LEU 57 HD21 LEU 57 6.379 -0.954 -1.663 467 2HD2 LEU 57 HD22 LEU 57 6.450 -1.658 -0.047 468 3HD2 LEU 57 HD23 LEU 57 7.767 -0.636 -0.622 469 H CYS 58 HN CYS 58 2.074 1.876 -0.749 470 HA CYS 58 HA CYS 58 -0.121 0.207 -0.178 471 1HB CYS 58 HB2 CYS 58 0.056 2.540 0.614 472 2HB CYS 58 HB1 CYS 58 -0.139 3.110 -1.047 473 HG CYS 58 HG CYS 58 -2.729 1.429 -0.872 474 H VAL 59 HN VAL 59 0.830 1.918 -3.114 475 HA VAL 59 HA VAL 59 -1.391 1.258 -4.699 476 HB VAL 59 HB VAL 59 1.470 1.806 -5.499 477 1HG1 VAL 59 HG11 VAL 59 0.318 0.577 -7.274 478 2HG1 VAL 59 HG12 VAL 59 0.619 2.249 -7.744 479 3HG1 VAL 59 HG13 VAL 59 -0.997 1.753 -7.236 480 1HG2 VAL 59 HG21 VAL 59 0.603 4.034 -6.065 481 2HG2 VAL 59 HG22 VAL 59 0.418 3.658 -4.352 482 3HG2 VAL 59 HG23 VAL 59 -0.974 3.566 -5.432 483 H ALA 60 HN ALA 60 1.581 -0.496 -3.974 484 HA ALA 60 HA ALA 60 1.373 -2.533 -5.880 485 1HB ALA 60 HB1 ALA 60 3.386 -2.168 -4.556 486 2HB ALA 60 HB2 ALA 60 2.829 -3.835 -4.411 487 3HB ALA 60 HB3 ALA 60 2.533 -2.690 -3.102 488 H ALA 61 HN ALA 61 -0.136 -2.211 -2.690 489 HA ALA 61 HA ALA 61 -1.298 -4.824 -2.786 490 1HB ALA 61 HB1 ALA 61 -2.029 -2.438 -1.093 491 2HB ALA 61 HB2 ALA 61 -0.892 -3.716 -0.662 492 3HB ALA 61 HB3 ALA 61 -2.604 -4.088 -0.855 493 H PHE 62 HN PHE 62 -2.371 -1.551 -3.612 494 HA PHE 62 HA PHE 62 -5.015 -2.139 -4.313 495 1HB PHE 62 HB2 PHE 62 -3.086 -0.102 -5.428 496 2HB PHE 62 HB1 PHE 62 -4.742 -0.241 -5.998 497 HD1 PHE 62 HD1 PHE 62 -6.262 -0.641 -3.552 498 HD2 PHE 62 HD2 PHE 62 -2.920 1.890 -4.282 499 HE1 PHE 62 HE1 PHE 62 -6.987 0.831 -1.708 500 HE2 PHE 62 HE2 PHE 62 -3.645 3.376 -2.458 501 HZ PHE 62 HZ PHE 62 -5.739 2.920 -1.259 502 H GLU 63 HN GLU 63 -2.112 -2.083 -6.362 503 HA GLU 63 HA GLU 63 -3.204 -2.908 -8.765 504 1HB GLU 63 HB2 GLU 63 -0.502 -3.593 -7.580 505 2HB GLU 63 HB1 GLU 63 -0.937 -3.845 -9.264 506 1HG GLU 63 HG2 GLU 63 -1.024 -1.151 -7.948 507 2HG GLU 63 HG1 GLU 63 0.419 -1.787 -8.735 508 H HIS 64 HN HIS 64 -2.293 -4.793 -5.973 509 HA HIS 64 HA HIS 64 -2.422 -7.329 -7.290 510 1HB HIS 64 HB2 HIS 64 -1.074 -6.603 -5.187 511 2HB HIS 64 HB1 HIS 64 -2.566 -6.928 -4.316 512 HD1 HIS 64 HD1 HIS 64 0.429 -8.535 -5.628 513 HD2 HIS 64 HD2 HIS 64 -3.420 -9.735 -4.580 514 HE1 HIS 64 HE1 HIS 64 0.548 -11.032 -5.330 515 HE2 HIS 64 HE2 HIS 64 -1.826 -11.751 -4.902 516 H ALA 65 HN ALA 65 -4.467 -5.687 -4.864 517 HA ALA 65 HA ALA 65 -6.402 -7.779 -4.839 518 1HB ALA 65 HB1 ALA 65 -7.689 -6.365 -3.397 519 2HB ALA 65 HB2 ALA 65 -6.753 -4.950 -3.876 520 3HB ALA 65 HB3 ALA 65 -5.990 -6.235 -2.941 521 H SER 66 HN SER 66 -6.344 -4.529 -6.314 522 HA SER 66 HA SER 66 -8.874 -4.503 -7.411 523 1HB SER 66 HB2 SER 66 -7.254 -2.605 -7.444 524 2HB SER 66 HB1 SER 66 -6.393 -3.411 -8.754 525 HG SER 66 HG SER 66 -7.771 -2.511 -10.045 526 H SER 67 HN SER 67 -5.932 -5.944 -8.828 527 HA SER 67 HA SER 67 -7.257 -6.658 -11.256 528 1HB SER 67 HB2 SER 67 -5.178 -7.966 -11.712 529 2HB SER 67 HB1 SER 67 -4.877 -6.277 -11.307 530 HG SER 67 HG SER 67 -3.981 -6.850 -9.455 531 H HIS 68 HN HIS 68 -7.124 -8.074 -8.145 532 HA HIS 68 HA HIS 68 -8.090 -10.626 -9.252 533 1HB HIS 68 HB2 HIS 68 -6.139 -10.414 -7.505 534 2HB HIS 68 HB1 HIS 68 -7.453 -10.234 -6.348 535 HD1 HIS 68 HD1 HIS 68 -6.484 -12.668 -9.115 536 HD2 HIS 68 HD2 HIS 68 -8.286 -12.617 -5.365 537 HE1 HIS 68 HE1 HIS 68 -6.936 -15.075 -8.548 538 HE2 HIS 68 HE2 HIS 68 -7.801 -15.032 -6.183 539 H SER 69 HN SER 69 -9.380 -7.841 -8.553 540 HA SER 69 HA SER 69 -11.453 -7.086 -8.045 541 1HB SER 69 HB2 SER 69 -12.153 -10.019 -8.283 542 2HB SER 69 HB1 SER 69 -13.330 -8.706 -8.213 543 HG SER 69 HG SER 69 -11.284 -8.574 -10.130 544 H ILE 70 HN ILE 70 -9.756 -7.422 -5.884 545 HA ILE 70 HA ILE 70 -11.480 -8.481 -3.743 546 HB ILE 70 HB ILE 70 -8.530 -7.786 -3.617 547 1HG1 ILE 70 HG12 ILE 70 -9.866 -10.493 -3.859 548 2HG1 ILE 70 HG11 ILE 70 -8.981 -9.676 -5.143 549 1HG2 ILE 70 HG21 ILE 70 -8.554 -9.071 -1.521 550 2HG2 ILE 70 HG22 ILE 70 -10.299 -9.275 -1.674 551 3HG2 ILE 70 HG23 ILE 70 -9.615 -7.666 -1.442 552 1HD1 ILE 70 HD11 ILE 70 -7.824 -10.619 -2.531 553 2HD1 ILE 70 HD12 ILE 70 -6.937 -9.806 -3.820 554 3HD1 ILE 70 HD13 ILE 70 -7.633 -11.403 -4.100 555 H SER 71 HN SER 71 -11.746 -7.199 -1.799 556 HA SER 71 HA SER 71 -11.828 -4.333 -2.358 557 1HB SER 71 HB2 SER 71 -13.835 -5.540 -1.434 558 2HB SER 71 HB1 SER 71 -12.915 -5.861 0.034 559 HG SER 71 HG SER 71 -13.133 -3.216 -0.880 560 H ILE 72 HN ILE 72 -11.136 -2.856 -0.483 561 HA ILE 72 HA ILE 72 -8.816 -3.938 0.951 562 HB ILE 72 HB ILE 72 -8.704 -1.656 -1.047 563 1HG1 ILE 72 HG12 ILE 72 -7.299 -4.320 -0.884 564 2HG1 ILE 72 HG11 ILE 72 -8.382 -3.751 -2.152 565 1HG2 ILE 72 HG21 ILE 72 -7.483 -0.944 0.896 566 2HG2 ILE 72 HG22 ILE 72 -6.353 -1.353 -0.396 567 3HG2 ILE 72 HG23 ILE 72 -6.601 -2.472 0.947 568 1HD1 ILE 72 HD11 ILE 72 -5.664 -2.606 -1.548 569 2HD1 ILE 72 HD12 ILE 72 -6.746 -2.109 -2.850 570 3HD1 ILE 72 HD13 ILE 72 -6.042 -3.724 -2.855 571 H ILE 73 HN ILE 73 -8.163 -2.746 2.712 572 HA ILE 73 HA ILE 73 -9.450 -0.178 3.316 573 HB ILE 73 HB ILE 73 -9.331 -2.575 5.160 574 1HG1 ILE 73 HG12 ILE 73 -11.337 -2.331 3.756 575 2HG1 ILE 73 HG11 ILE 73 -11.711 -2.143 5.468 576 1HG2 ILE 73 HG21 ILE 73 -10.017 -1.096 7.000 577 2HG2 ILE 73 HG22 ILE 73 -9.783 0.301 5.948 578 3HG2 ILE 73 HG23 ILE 73 -8.404 -0.709 6.393 579 1HD1 ILE 73 HD11 ILE 73 -11.780 0.281 5.185 580 2HD1 ILE 73 HD12 ILE 73 -12.917 -0.530 4.108 581 3HD1 ILE 73 HD13 ILE 73 -11.392 0.092 3.475 582 HA PRO 74 HA PRO 74 -5.045 0.156 3.973 583 1HB PRO 74 HB2 PRO 74 -5.017 2.880 3.411 584 2HB PRO 74 HB1 PRO 74 -4.842 1.579 2.234 585 1HG PRO 74 HG2 PRO 74 -7.002 3.414 2.476 586 2HG PRO 74 HG1 PRO 74 -6.884 2.033 1.376 587 1HD PRO 74 HD2 PRO 74 -8.296 2.271 3.972 588 2HD PRO 74 HD1 PRO 74 -8.648 1.220 2.583 589 H SER 75 HN SER 75 -4.807 -0.115 6.195 590 HA SER 75 HA SER 75 -5.238 1.984 8.088 591 1HB SER 75 HB2 SER 75 -3.318 -0.366 8.165 592 2HB SER 75 HB1 SER 75 -3.739 0.650 9.541 593 HG SER 75 HG SER 75 -5.315 -1.244 8.152 594 H CYS 76 HN CYS 76 -3.001 1.340 5.664 595 HA CYS 76 HA CYS 76 -0.822 2.968 6.362 596 1HB CYS 76 HB2 CYS 76 -1.797 2.327 3.569 597 2HB CYS 76 HB1 CYS 76 -0.196 2.878 4.040 598 HG CYS 76 HG CYS 76 -1.504 -0.071 5.147 599 H SER 77 HN SER 77 -3.570 4.159 6.691 600 HA SER 77 HA SER 77 -4.457 5.809 4.719 601 1HB SER 77 HB2 SER 77 -4.617 6.631 7.599 602 2HB SER 77 HB1 SER 77 -5.835 6.777 6.335 603 HG SER 77 HG SER 77 -5.821 4.386 6.338 604 H TYR 78 HN TYR 78 -1.501 6.422 6.433 605 HA TYR 78 HA TYR 78 -1.283 9.189 6.034 606 1HB TYR 78 HB2 TYR 78 0.707 8.535 6.942 607 2HB TYR 78 HB1 TYR 78 0.591 6.921 6.252 608 HD1 TYR 78 HD1 TYR 78 1.637 10.409 5.526 609 HD2 TYR 78 HD2 TYR 78 1.773 6.345 4.281 610 HE1 TYR 78 HE1 TYR 78 3.361 10.976 3.866 611 HE2 TYR 78 HE2 TYR 78 3.487 6.893 2.612 612 HH TYR 78 HH TYR 78 5.154 9.871 2.619 613 H VAL 79 HN VAL 79 -0.705 6.468 3.860 614 HA VAL 79 HA VAL 79 -0.271 7.947 1.490 615 HB VAL 79 HB VAL 79 -1.386 5.147 1.798 616 1HG1 VAL 79 HG11 VAL 79 -1.785 6.053 -0.416 617 2HG1 VAL 79 HG12 VAL 79 -0.557 4.787 -0.475 618 3HG1 VAL 79 HG13 VAL 79 -0.080 6.484 -0.565 619 1HG2 VAL 79 HG21 VAL 79 0.760 5.338 2.905 620 2HG2 VAL 79 HG22 VAL 79 1.463 6.066 1.458 621 3HG2 VAL 79 HG23 VAL 79 0.918 4.389 1.426 622 H SER 80 HN SER 80 -3.106 6.394 2.906 623 HA SER 80 HA SER 80 -4.922 6.824 0.851 624 1HB SER 80 HB2 SER 80 -5.574 6.918 3.800 625 2HB SER 80 HB1 SER 80 -6.634 6.411 2.480 626 HG SER 80 HG SER 80 -5.415 4.597 2.196 627 H ASP 81 HN ASP 81 -4.025 8.919 3.510 628 HA ASP 81 HA ASP 81 -6.055 10.836 3.141 629 1HB ASP 81 HB2 ASP 81 -4.977 10.693 5.265 630 2HB ASP 81 HB1 ASP 81 -3.386 10.914 4.548 631 H THR 82 HN THR 82 -2.634 10.850 2.155 632 HA THR 82 HA THR 82 -3.088 13.334 0.720 633 HB THR 82 HB THR 82 -1.046 13.229 2.007 634 HG1 THR 82 HG1 THR 82 -1.191 14.102 -0.358 635 1HG2 THR 82 HG21 THR 82 -0.633 10.830 1.971 636 2HG2 THR 82 HG22 THR 82 0.793 11.707 1.412 637 3HG2 THR 82 HG23 THR 82 -0.263 10.901 0.250 638 H PHE 83 HN PHE 83 -2.056 10.020 -0.058 639 HA PHE 83 HA PHE 83 -1.520 10.645 -2.788 640 1HB PHE 83 HB2 PHE 83 -0.548 8.794 -1.235 641 2HB PHE 83 HB1 PHE 83 -1.924 7.856 -1.800 642 HD1 PHE 83 HD1 PHE 83 -1.513 6.447 -3.544 643 HD2 PHE 83 HD2 PHE 83 0.673 10.090 -3.288 644 HE1 PHE 83 HE1 PHE 83 -0.296 5.858 -5.601 645 HE2 PHE 83 HE2 PHE 83 1.896 9.506 -5.341 646 HZ PHE 83 HZ PHE 83 1.412 7.384 -6.499 647 H LEU 84 HN LEU 84 -4.256 9.181 -1.102 648 HA LEU 84 HA LEU 84 -5.420 8.106 -3.456 649 1HB LEU 84 HB2 LEU 84 -6.393 8.563 -0.689 650 2HB LEU 84 HB1 LEU 84 -7.561 8.201 -1.948 651 HG LEU 84 HG LEU 84 -5.162 6.465 -1.354 652 1HD1 LEU 84 HD11 LEU 84 -6.658 6.541 0.580 653 2HD1 LEU 84 HD12 LEU 84 -6.707 4.969 -0.219 654 3HD1 LEU 84 HD13 LEU 84 -8.018 6.124 -0.460 655 1HD2 LEU 84 HD21 LEU 84 -7.681 5.952 -2.934 656 2HD2 LEU 84 HD22 LEU 84 -6.356 4.814 -2.681 657 3HD2 LEU 84 HD23 LEU 84 -6.091 6.285 -3.618 658 HA PRO 85 HA PRO 85 -7.996 12.277 -3.608 659 1HB PRO 85 HB2 PRO 85 -5.825 14.012 -2.563 660 2HB PRO 85 HB1 PRO 85 -7.575 14.174 -2.386 661 1HG PRO 85 HG2 PRO 85 -6.056 13.361 -0.355 662 2HG PRO 85 HG1 PRO 85 -7.671 12.681 -0.629 663 1HD PRO 85 HD2 PRO 85 -4.985 11.487 -1.195 664 2HD PRO 85 HD1 PRO 85 -6.481 10.707 -0.636 665 H ARG 86 HN ARG 86 -4.513 11.938 -3.776 666 HA ARG 86 HA ARG 86 -4.160 13.558 -6.100 667 1HB ARG 86 HB2 ARG 86 -2.341 13.188 -4.530 668 2HB ARG 86 HB1 ARG 86 -2.395 11.457 -4.830 669 1HG ARG 86 HG2 ARG 86 -1.585 11.751 -7.057 670 2HG ARG 86 HG1 ARG 86 -1.724 13.508 -6.929 671 1HD ARG 86 HD2 ARG 86 -0.026 13.543 -5.199 672 2HD ARG 86 HD1 ARG 86 0.068 11.783 -5.225 673 HE ARG 86 HE ARG 86 0.915 12.004 -7.542 674 1HH1 ARG 86 HH11 ARG 86 1.094 14.786 -5.409 675 2HH1 ARG 86 HH12 ARG 86 2.502 15.448 -6.184 676 1HH2 ARG 86 HH21 ARG 86 2.760 12.890 -8.565 677 2HH2 ARG 86 HH22 ARG 86 3.456 14.360 -7.963 678 H ASN 87 HN ASN 87 -4.492 10.081 -5.527 679 HA ASN 87 HA ASN 87 -5.134 9.760 -8.385 680 1HB ASN 87 HB2 ASN 87 -3.504 7.859 -6.682 681 2HB ASN 87 HB1 ASN 87 -4.132 7.465 -8.278 682 1HD2 ASN 87 HD21 ASN 87 -1.759 9.200 -6.485 683 2HD2 ASN 87 HD22 ASN 87 -0.791 9.699 -7.832 684 HA PRO 88 HA PRO 88 -8.528 8.159 -5.736 685 1HB PRO 88 HB2 PRO 88 -10.433 9.627 -7.262 686 2HB PRO 88 HB1 PRO 88 -9.861 9.978 -5.632 687 1HG PRO 88 HG2 PRO 88 -9.379 11.535 -7.885 688 2HG PRO 88 HG1 PRO 88 -8.484 11.619 -6.360 689 1HD PRO 88 HD2 PRO 88 -7.755 10.273 -8.918 690 2HD PRO 88 HD1 PRO 88 -6.715 11.079 -7.724 691 H SER 89 HN SER 89 -7.612 6.356 -7.311 692 HA SER 89 HA SER 89 -9.729 5.740 -9.273 693 1HB SER 89 HB2 SER 89 -6.856 4.776 -9.281 694 2HB SER 89 HB1 SER 89 -8.067 4.473 -10.528 695 HG SER 89 HG SER 89 -7.146 6.204 -11.354 696 H TRP 90 HN TRP 90 -8.580 4.943 -6.287 697 HA TRP 90 HA TRP 90 -9.050 2.059 -6.573 698 1HB TRP 90 HB2 TRP 90 -7.836 3.417 -4.180 699 2HB TRP 90 HB1 TRP 90 -7.680 1.738 -4.686 700 HD1 TRP 90 HD1 TRP 90 -5.856 4.922 -4.788 701 HE1 TRP 90 HE1 TRP 90 -3.896 4.816 -6.443 702 HE3 TRP 90 HE3 TRP 90 -7.130 0.640 -7.283 703 HZ2 TRP 90 HZ2 TRP 90 -3.006 3.143 -8.539 704 HZ3 TRP 90 HZ3 TRP 90 -5.671 -0.141 -9.103 705 HH2 TRP 90 HH2 TRP 90 -3.652 1.088 -9.718 706 H LYS 91 HN LYS 91 -10.872 4.567 -6.008 707 HA LYS 91 HA LYS 91 -12.191 4.351 -3.617 708 1HB LYS 91 HB2 LYS 91 -12.656 6.102 -5.248 709 2HB LYS 91 HB1 LYS 91 -13.385 4.927 -6.333 710 1HG LYS 91 HG2 LYS 91 -15.097 4.480 -4.566 711 2HG LYS 91 HG1 LYS 91 -14.421 5.829 -3.654 712 1HD LYS 91 HD2 LYS 91 -15.567 5.994 -6.443 713 2HD LYS 91 HD1 LYS 91 -16.388 6.499 -4.965 714 1HE LYS 91 HE2 LYS 91 -14.672 8.174 -4.564 715 2HE LYS 91 HE1 LYS 91 -13.795 7.645 -6.000 716 1HZ LYS 91 HZ1 LYS 91 -16.550 8.759 -6.019 717 2HZ LYS 91 HZ2 LYS 91 -15.614 8.361 -7.375 718 3HZ LYS 91 HZ3 LYS 91 -15.150 9.645 -6.373 719 HA PRO 92 HA PRO 92 -15.155 0.948 -5.665 720 1HB PRO 92 HB2 PRO 92 -13.070 -0.353 -7.336 721 2HB PRO 92 HB1 PRO 92 -14.802 -0.171 -7.637 722 1HG PRO 92 HG2 PRO 92 -13.062 1.350 -8.928 723 2HG PRO 92 HG1 PRO 92 -14.579 2.042 -8.321 724 1HD PRO 92 HD2 PRO 92 -11.813 2.271 -7.209 725 2HD PRO 92 HD1 PRO 92 -13.093 3.496 -7.310 726 H LEU 93 HN LEU 93 -11.876 0.698 -4.639 727 HA LEU 93 HA LEU 93 -12.191 -2.068 -3.742 728 1HB LEU 93 HB2 LEU 93 -9.805 -0.258 -3.403 729 2HB LEU 93 HB1 LEU 93 -9.843 -2.008 -3.299 730 HG LEU 93 HG LEU 93 -10.405 -0.474 -5.830 731 1HD1 LEU 93 HD11 LEU 93 -8.107 -0.084 -5.094 732 2HD1 LEU 93 HD12 LEU 93 -8.143 -1.127 -6.516 733 3HD1 LEU 93 HD13 LEU 93 -7.856 -1.820 -4.919 734 1HD2 LEU 93 HD21 LEU 93 -11.386 -2.707 -5.741 735 2HD2 LEU 93 HD22 LEU 93 -9.825 -3.392 -5.281 736 3HD2 LEU 93 HD23 LEU 93 -10.038 -2.669 -6.877 737 H ILE 94 HN ILE 94 -11.754 1.176 -2.521 738 HA ILE 94 HA ILE 94 -11.850 0.170 0.250 739 HB ILE 94 HB ILE 94 -10.399 2.077 0.848 740 1HG1 ILE 94 HG12 ILE 94 -10.389 2.548 -2.137 741 2HG1 ILE 94 HG11 ILE 94 -10.978 3.646 -0.892 742 1HG2 ILE 94 HG21 ILE 94 -8.332 1.242 -0.165 743 2HG2 ILE 94 HG22 ILE 94 -9.285 0.336 -1.340 744 3HG2 ILE 94 HG23 ILE 94 -9.378 -0.072 0.373 745 1HD1 ILE 94 HD11 ILE 94 -8.844 4.387 -1.701 746 2HD1 ILE 94 HD12 ILE 94 -8.129 2.814 -1.347 747 3HD1 ILE 94 HD13 ILE 94 -8.688 3.844 -0.029 748 H HIS 95 HN HIS 95 -11.799 2.834 1.305 749 HA HIS 95 HA HIS 95 -14.542 3.656 0.975 750 1HB HIS 95 HB2 HIS 95 -12.226 4.739 2.595 751 2HB HIS 95 HB1 HIS 95 -13.810 5.511 2.564 752 HD1 HIS 95 HD1 HIS 95 -12.903 4.667 5.248 753 HD2 HIS 95 HD2 HIS 95 -14.887 2.047 2.694 754 HE1 HIS 95 HE1 HIS 95 -13.888 2.890 6.729 755 HE2 HIS 95 HE2 HIS 95 -14.940 1.229 5.157 756 H SER 96 HN SER 96 -11.845 5.850 1.159 757 HA SER 96 HA SER 96 -11.233 6.623 -1.348 758 1HB SER 96 HB2 SER 96 -13.782 7.115 -1.513 759 2HB SER 96 HB1 SER 96 -13.437 8.469 -0.431 760 HG SER 96 HG SER 96 -13.324 9.137 -2.598 761 H GLU 97 HN GLU 97 -9.470 7.853 -0.917 762 HA GLU 97 HA GLU 97 -7.937 9.048 0.232 763 1HB GLU 97 HB2 GLU 97 -9.688 10.826 -0.100 764 2HB GLU 97 HB1 GLU 97 -10.320 10.424 1.491 765 1HG GLU 97 HG2 GLU 97 -7.682 10.867 2.026 766 2HG GLU 97 HG1 GLU 97 -7.997 12.025 0.732 767 H VAL 98 HN VAL 98 -8.626 10.048 3.044 768 HA VAL 98 HA VAL 98 -8.028 7.531 4.347 769 HB VAL 98 HB VAL 98 -6.646 9.389 5.016 770 1HG1 VAL 98 HG11 VAL 98 -9.171 10.755 5.920 771 2HG1 VAL 98 HG12 VAL 98 -8.129 11.246 4.583 772 3HG1 VAL 98 HG13 VAL 98 -7.532 11.316 6.242 773 1HG2 VAL 98 HG21 VAL 98 -7.103 7.710 6.703 774 2HG2 VAL 98 HG22 VAL 98 -8.542 8.592 7.219 775 3HG2 VAL 98 HG23 VAL 98 -6.943 9.300 7.449 776 H PHE 99 HN PHE 99 -10.611 10.002 4.398 777 HA PHE 99 HA PHE 99 -12.533 8.059 5.167 778 1HB PHE 99 HB2 PHE 99 -11.117 8.541 7.301 779 2HB PHE 99 HB1 PHE 99 -12.053 10.028 7.380 780 HD1 PHE 99 HD1 PHE 99 -12.646 6.381 6.856 781 HD2 PHE 99 HD2 PHE 99 -13.914 9.988 8.721 782 HE1 PHE 99 HE1 PHE 99 -14.448 5.154 7.999 783 HE2 PHE 99 HE2 PHE 99 -15.717 8.770 9.866 784 HZ PHE 99 HZ PHE 99 -15.985 6.350 9.507 785 H LYS 100 HN LYS 100 -11.991 10.711 3.519 786 HA LYS 100 HA LYS 100 -14.208 12.330 4.402 787 1HB LYS 100 HB2 LYS 100 -13.769 13.694 2.363 788 2HB LYS 100 HB1 LYS 100 -12.390 13.527 3.435 789 1HG LYS 100 HG2 LYS 100 -11.414 13.269 1.386 790 2HG LYS 100 HG1 LYS 100 -11.720 11.593 1.834 791 1HD LYS 100 HD2 LYS 100 -13.547 11.427 0.373 792 2HD LYS 100 HD1 LYS 100 -13.658 13.181 0.171 793 1HE LYS 100 HE2 LYS 100 -11.364 13.062 -0.880 794 2HE LYS 100 HE1 LYS 100 -11.548 11.308 -0.884 795 1HZ LYS 100 HZ1 LYS 100 -13.561 11.585 -2.228 796 2HZ LYS 100 HZ2 LYS 100 -12.193 12.222 -3.001 797 3HZ LYS 100 HZ3 LYS 100 -13.308 13.263 -2.263 798 H SER 101 HN SER 101 -14.030 9.509 2.721 799 HA SER 101 HA SER 101 -16.812 9.799 1.922 800 1HB SER 101 HB2 SER 101 -14.651 8.812 0.046 801 2HB SER 101 HB1 SER 101 -16.386 8.749 -0.281 802 HG SER 101 HG SER 101 -15.856 11.227 0.396 803 H SER 102 HN SER 102 -17.800 8.223 2.982 804 HA SER 102 HA SER 102 -16.992 5.497 2.754 805 1HB SER 102 HB2 SER 102 -16.712 5.213 5.282 806 2HB SER 102 HB1 SER 102 -15.373 5.973 4.424 807 HG SER 102 HG SER 102 -17.387 7.618 5.482 808 H ILE 103 HN ILE 103 -18.296 4.482 5.009 809 HA ILE 103 HA ILE 103 -21.054 4.991 4.312 810 HB ILE 103 HB ILE 103 -19.905 3.093 6.375 811 1HG1 ILE 103 HG12 ILE 103 -20.821 2.572 3.536 812 2HG1 ILE 103 HG11 ILE 103 -19.149 2.582 4.085 813 1HG2 ILE 103 HG21 ILE 103 -22.661 3.264 5.164 814 2HG2 ILE 103 HG22 ILE 103 -22.223 3.632 6.832 815 3HG2 ILE 103 HG23 ILE 103 -22.093 1.980 6.229 816 1HD1 ILE 103 HD11 ILE 103 -19.622 0.670 5.534 817 2HD1 ILE 103 HD12 ILE 103 -19.969 0.317 3.842 818 3HD1 ILE 103 HD13 ILE 103 -21.290 0.656 4.961 Start of MODEL 16 1 1H MET 1 HT1 MET 1 8.493 3.300 -18.971 2 2H MET 1 HT2 MET 1 7.937 1.862 -18.265 3 3H MET 1 HT3 MET 1 8.309 3.199 -17.287 4 HA MET 1 HA MET 1 6.530 4.464 -18.296 5 1HB MET 1 HB2 MET 1 6.041 1.864 -19.754 6 2HB MET 1 HB1 MET 1 4.833 3.135 -19.627 7 1HG MET 1 HG2 MET 1 6.341 4.678 -20.781 8 2HG MET 1 HG1 MET 1 7.542 3.392 -20.916 9 1HE MET 1 HE1 MET 1 6.153 3.911 -24.588 10 2HE MET 1 HE2 MET 1 7.589 3.964 -23.566 11 3HE MET 1 HE3 MET 1 6.311 5.161 -23.354 12 H ALA 2 HN ALA 2 5.773 1.001 -17.838 13 HA ALA 2 HA ALA 2 3.706 1.719 -15.951 14 1HB ALA 2 HB1 ALA 2 3.321 -0.050 -17.593 15 2HB ALA 2 HB2 ALA 2 3.168 -0.657 -15.945 16 3HB ALA 2 HB3 ALA 2 4.624 -0.998 -16.880 17 H THR 3 HN THR 3 6.864 0.155 -15.873 18 HA THR 3 HA THR 3 6.632 -0.201 -12.980 19 HB THR 3 HB THR 3 8.846 -1.116 -14.827 20 HG1 THR 3 HG1 THR 3 6.365 -2.189 -14.124 21 1HG2 THR 3 HG21 THR 3 9.467 -2.590 -12.982 22 2HG2 THR 3 HG22 THR 3 8.160 -1.932 -11.997 23 3HG2 THR 3 HG23 THR 3 9.516 -0.906 -12.467 24 H GLU 4 HN GLU 4 7.241 1.415 -11.757 25 HA GLU 4 HA GLU 4 8.886 3.552 -12.701 26 1HB GLU 4 HB2 GLU 4 7.698 2.891 -10.006 27 2HB GLU 4 HB1 GLU 4 8.654 4.338 -10.299 28 1HG GLU 4 HG2 GLU 4 6.697 4.238 -12.320 29 2HG GLU 4 HG1 GLU 4 5.884 3.875 -10.798 30 HA PRO 5 HA PRO 5 13.067 2.904 -11.300 31 1HB PRO 5 HB2 PRO 5 12.412 4.610 -8.926 32 2HB PRO 5 HB1 PRO 5 13.848 4.625 -9.960 33 1HG PRO 5 HG2 PRO 5 11.931 6.422 -10.314 34 2HG PRO 5 HG1 PRO 5 12.743 5.681 -11.705 35 1HD PRO 5 HD2 PRO 5 10.006 5.227 -10.651 36 2HD PRO 5 HD1 PRO 5 10.618 5.082 -12.309 37 HA PRO 6 HA PRO 6 12.541 1.017 -6.861 38 1HB PRO 6 HB2 PRO 6 10.015 0.570 -5.968 39 2HB PRO 6 HB1 PRO 6 10.927 2.034 -5.609 40 1HG PRO 6 HG2 PRO 6 8.856 1.577 -7.723 41 2HG PRO 6 HG1 PRO 6 9.025 2.943 -6.601 42 1HD PRO 6 HD2 PRO 6 9.864 3.108 -9.142 43 2HD PRO 6 HD1 PRO 6 10.754 3.891 -7.820 44 H LYS 7 HN LYS 7 12.288 -1.153 -6.268 45 HA LYS 7 HA LYS 7 10.909 -2.894 -8.211 46 1HB LYS 7 HB2 LYS 7 13.690 -3.049 -7.175 47 2HB LYS 7 HB1 LYS 7 12.810 -4.561 -7.326 48 1HG LYS 7 HG2 LYS 7 13.057 -4.598 -9.535 49 2HG LYS 7 HG1 LYS 7 12.605 -2.897 -9.702 50 1HD LYS 7 HD2 LYS 7 15.303 -3.843 -8.744 51 2HD LYS 7 HD1 LYS 7 14.942 -3.402 -10.418 52 1HE LYS 7 HE2 LYS 7 14.273 -1.526 -8.200 53 2HE LYS 7 HE1 LYS 7 15.942 -1.624 -8.793 54 1HZ LYS 7 HZ1 LYS 7 14.475 0.094 -9.861 55 2HZ LYS 7 HZ2 LYS 7 13.619 -1.175 -10.584 56 3HZ LYS 7 HZ3 LYS 7 15.263 -0.950 -10.934 57 H ILE 8 HN ILE 8 9.145 -3.120 -6.953 58 HA ILE 8 HA ILE 8 9.453 -3.736 -4.135 59 HB ILE 8 HB ILE 8 6.830 -3.676 -5.606 60 1HG1 ILE 8 HG12 ILE 8 8.105 -1.599 -6.129 61 2HG1 ILE 8 HG11 ILE 8 6.655 -1.295 -5.176 62 1HG2 ILE 8 HG21 ILE 8 7.640 -3.117 -2.753 63 2HG2 ILE 8 HG22 ILE 8 6.762 -4.530 -3.348 64 3HG2 ILE 8 HG23 ILE 8 6.004 -2.938 -3.394 65 1HD1 ILE 8 HD11 ILE 8 8.003 -1.068 -3.174 66 2HD1 ILE 8 HD12 ILE 8 8.558 0.042 -4.430 67 3HD1 ILE 8 HD13 ILE 8 9.460 -1.437 -4.095 68 H VAL 9 HN VAL 9 9.283 -5.697 -3.244 69 HA VAL 9 HA VAL 9 8.593 -7.967 -5.010 70 HB VAL 9 HB VAL 9 10.299 -8.063 -2.520 71 1HG1 VAL 9 HG11 VAL 9 9.328 -10.197 -3.146 72 2HG1 VAL 9 HG12 VAL 9 11.069 -10.205 -3.435 73 3HG1 VAL 9 HG13 VAL 9 9.951 -10.018 -4.788 74 1HG2 VAL 9 HG21 VAL 9 11.378 -6.612 -4.106 75 2HG2 VAL 9 HG22 VAL 9 11.172 -7.810 -5.383 76 3HG2 VAL 9 HG23 VAL 9 12.239 -8.148 -4.018 77 H TRP 10 HN TRP 10 7.292 -9.644 -4.153 78 HA TRP 10 HA TRP 10 5.719 -8.819 -1.840 79 1HB TRP 10 HB2 TRP 10 4.423 -9.438 -3.786 80 2HB TRP 10 HB1 TRP 10 5.233 -11.001 -3.876 81 HD1 TRP 10 HD1 TRP 10 4.021 -9.640 -0.514 82 HE1 TRP 10 HE1 TRP 10 2.126 -11.127 0.368 83 HE3 TRP 10 HE3 TRP 10 3.323 -12.565 -4.648 84 HZ2 TRP 10 HZ2 TRP 10 0.520 -13.249 -0.580 85 HZ3 TRP 10 HZ3 TRP 10 1.576 -14.297 -4.580 86 HH2 TRP 10 HH2 TRP 10 0.205 -14.631 -2.585 87 H ASN 11 HN ASN 11 6.174 -9.553 0.061 88 HA ASN 11 HA ASN 11 7.647 -12.068 0.364 89 1HB ASN 11 HB2 ASN 11 8.458 -9.991 1.533 90 2HB ASN 11 HB1 ASN 11 6.970 -10.004 2.468 91 1HD2 ASN 11 HD21 ASN 11 9.873 -10.359 3.138 92 2HD2 ASN 11 HD22 ASN 11 9.921 -11.799 4.090 93 H GLU 12 HN GLU 12 6.138 -13.623 0.135 94 HA GLU 12 HA GLU 12 3.454 -13.340 0.993 95 1HB GLU 12 HB2 GLU 12 3.322 -15.802 0.386 96 2HB GLU 12 HB1 GLU 12 3.786 -14.688 -0.890 97 1HG GLU 12 HG2 GLU 12 5.357 -16.237 -1.269 98 2HG GLU 12 HG1 GLU 12 6.217 -15.365 -0.005 99 H GLY 13 HN GLY 13 6.291 -14.409 2.615 100 1HA GLY 13 HA2 GLY 13 4.922 -16.092 4.507 101 2HA GLY 13 HA1 GLY 13 6.592 -15.548 4.605 102 H LYS 14 HN LYS 14 5.666 -12.737 4.231 103 HA LYS 14 HA LYS 14 4.820 -12.278 7.014 104 1HB LYS 14 HB2 LYS 14 6.515 -10.659 5.119 105 2HB LYS 14 HB1 LYS 14 5.804 -9.943 6.556 106 1HG LYS 14 HG2 LYS 14 8.104 -10.564 6.965 107 2HG LYS 14 HG1 LYS 14 7.028 -11.550 7.953 108 1HD LYS 14 HD2 LYS 14 7.298 -13.423 6.478 109 2HD LYS 14 HD1 LYS 14 8.196 -12.441 5.321 110 1HE LYS 14 HE2 LYS 14 10.000 -12.173 6.896 111 2HE LYS 14 HE1 LYS 14 9.098 -13.044 8.134 112 1HZ LYS 14 HZ1 LYS 14 10.081 -14.168 5.562 113 2HZ LYS 14 HZ2 LYS 14 9.167 -15.014 6.714 114 3HZ LYS 14 HZ3 LYS 14 10.724 -14.476 7.103 115 H ARG 15 HN ARG 15 3.599 -12.357 3.996 116 HA ARG 15 HA ARG 15 1.812 -11.469 2.898 117 1HB ARG 15 HB2 ARG 15 0.939 -10.484 5.620 118 2HB ARG 15 HB1 ARG 15 -0.082 -10.739 4.214 119 1HG ARG 15 HG2 ARG 15 0.334 -13.142 4.345 120 2HG ARG 15 HG1 ARG 15 1.357 -12.884 5.762 121 1HD ARG 15 HD2 ARG 15 -1.604 -12.413 5.494 122 2HD ARG 15 HD1 ARG 15 -0.776 -13.529 6.579 123 HE ARG 15 HE ARG 15 -0.143 -10.726 6.940 124 1HH1 ARG 15 HH11 ARG 15 -2.143 -13.425 7.953 125 2HH1 ARG 15 HH12 ARG 15 -2.552 -12.702 9.486 126 1HH2 ARG 15 HH21 ARG 15 -0.698 -9.779 8.940 127 2HH2 ARG 15 HH22 ARG 15 -1.753 -10.622 10.036 128 H ARG 16 HN ARG 16 3.997 -9.938 2.638 129 HA ARG 16 HA ARG 16 3.006 -7.186 2.869 130 1HB ARG 16 HB2 ARG 16 5.130 -6.413 3.782 131 2HB ARG 16 HB1 ARG 16 4.444 -7.639 4.832 132 1HG ARG 16 HG2 ARG 16 5.970 -9.244 4.200 133 2HG ARG 16 HG1 ARG 16 6.445 -8.354 2.754 134 1HD ARG 16 HD2 ARG 16 8.049 -8.354 4.686 135 2HD ARG 16 HD1 ARG 16 7.671 -6.787 3.992 136 HE ARG 16 HE ARG 16 5.940 -7.193 6.126 137 1HH1 ARG 16 HH11 ARG 16 9.381 -6.867 5.548 138 2HH1 ARG 16 HH12 ARG 16 9.713 -6.209 7.127 139 1HH2 ARG 16 HH21 ARG 16 6.365 -6.290 8.208 140 2HH2 ARG 16 HH22 ARG 16 8.011 -5.888 8.635 141 H PHE 17 HN PHE 17 4.173 -5.669 1.537 142 HA PHE 17 HA PHE 17 5.747 -6.917 -0.617 143 1HB PHE 17 HB2 PHE 17 4.330 -4.239 -0.672 144 2HB PHE 17 HB1 PHE 17 5.248 -4.951 -1.993 145 HD1 PHE 17 HD1 PHE 17 2.062 -4.365 -0.797 146 HD2 PHE 17 HD2 PHE 17 4.401 -7.430 -2.602 147 HE1 PHE 17 HE1 PHE 17 0.010 -5.450 -1.611 148 HE2 PHE 17 HE2 PHE 17 2.349 -8.520 -3.418 149 HZ PHE 17 HZ PHE 17 0.152 -7.527 -2.925 150 H GLU 18 HN GLU 18 7.833 -6.380 -0.741 151 HA GLU 18 HA GLU 18 8.792 -4.241 1.050 152 1HB GLU 18 HB2 GLU 18 9.202 -6.858 1.484 153 2HB GLU 18 HB1 GLU 18 10.542 -6.547 0.392 154 1HG GLU 18 HG2 GLU 18 11.537 -5.027 1.861 155 2HG GLU 18 HG1 GLU 18 10.069 -4.874 2.830 156 H THR 19 HN THR 19 9.987 -2.724 0.148 157 HA THR 19 HA THR 19 10.312 -2.677 -2.677 158 HB THR 19 HB THR 19 10.014 -0.675 -1.114 159 HG1 THR 19 HG1 THR 19 12.232 -0.106 -2.724 160 1HG2 THR 19 HG21 THR 19 11.843 -1.319 0.448 161 2HG2 THR 19 HG22 THR 19 11.957 0.334 -0.152 162 3HG2 THR 19 HG23 THR 19 13.002 -0.916 -0.820 163 H GLU 20 HN GLU 20 12.548 -2.098 -3.609 164 HA GLU 20 HA GLU 20 14.191 -4.361 -3.439 165 1HB GLU 20 HB2 GLU 20 15.642 -3.249 -4.980 166 2HB GLU 20 HB1 GLU 20 13.993 -2.789 -5.393 167 1HG GLU 20 HG2 GLU 20 15.859 -1.100 -3.739 168 2HG GLU 20 HG1 GLU 20 15.628 -0.918 -5.477 169 H ASP 21 HN ASP 21 13.928 -1.861 -1.330 170 HA ASP 21 HA ASP 21 16.745 -1.786 -0.571 171 1HB ASP 21 HB2 ASP 21 15.392 0.314 -0.903 172 2HB ASP 21 HB1 ASP 21 14.439 -0.152 0.497 173 H HIS 22 HN HIS 22 13.714 -3.060 0.349 174 HA HIS 22 HA HIS 22 13.001 -4.428 1.989 175 1HB HIS 22 HB2 HIS 22 15.958 -4.804 2.469 176 2HB HIS 22 HB1 HIS 22 14.700 -5.767 3.236 177 HD1 HIS 22 HD1 HIS 22 13.379 -7.426 1.723 178 HD2 HIS 22 HD2 HIS 22 16.506 -5.446 -0.180 179 HE1 HIS 22 HE1 HIS 22 13.770 -8.672 -0.435 180 HE2 HIS 22 HE2 HIS 22 15.756 -7.536 -1.506 181 H GLU 23 HN GLU 23 14.587 -1.595 2.678 182 HA GLU 23 HA GLU 23 14.040 -1.710 5.534 183 1HB GLU 23 HB2 GLU 23 15.088 0.585 3.866 184 2HB GLU 23 HB1 GLU 23 15.029 0.518 5.624 185 1HG GLU 23 HG2 GLU 23 16.560 -1.450 5.518 186 2HG GLU 23 HG1 GLU 23 16.721 -1.156 3.784 187 H ALA 24 HN ALA 24 12.414 -1.154 2.739 188 HA ALA 24 HA ALA 24 10.329 0.375 4.125 189 1HB ALA 24 HB1 ALA 24 11.394 1.794 2.433 190 2HB ALA 24 HB2 ALA 24 9.722 1.426 2.012 191 3HB ALA 24 HB3 ALA 24 11.040 0.582 1.202 192 H PHE 25 HN PHE 25 8.329 -0.496 4.031 193 HA PHE 25 HA PHE 25 7.727 -2.643 2.203 194 1HB PHE 25 HB2 PHE 25 7.207 -4.219 4.132 195 2HB PHE 25 HB1 PHE 25 8.912 -3.987 3.751 196 HD1 PHE 25 HD1 PHE 25 6.223 -3.135 6.131 197 HD2 PHE 25 HD2 PHE 25 10.401 -3.020 5.330 198 HE1 PHE 25 HE1 PHE 25 6.650 -2.483 8.464 199 HE2 PHE 25 HE2 PHE 25 10.834 -2.370 7.664 200 HZ PHE 25 HZ PHE 25 8.957 -2.100 9.231 201 H ILE 26 HN ILE 26 5.576 -3.461 2.455 202 HA ILE 26 HA ILE 26 3.771 -1.809 4.074 203 HB ILE 26 HB ILE 26 3.938 -1.650 1.296 204 1HG1 ILE 26 HG12 ILE 26 2.983 -0.042 2.961 205 2HG1 ILE 26 HG11 ILE 26 2.051 -0.198 1.472 206 1HG2 ILE 26 HG21 ILE 26 1.828 -2.523 0.431 207 2HG2 ILE 26 HG22 ILE 26 1.484 -3.265 1.994 208 3HG2 ILE 26 HG23 ILE 26 2.853 -3.828 1.034 209 1HD1 ILE 26 HD11 ILE 26 0.486 -1.677 2.611 210 2HD1 ILE 26 HD12 ILE 26 0.604 -0.107 3.407 211 3HD1 ILE 26 HD13 ILE 26 1.416 -1.511 4.101 212 H GLU 27 HN GLU 27 2.330 -3.007 5.234 213 HA GLU 27 HA GLU 27 2.350 -5.910 4.721 214 1HB GLU 27 HB2 GLU 27 2.413 -4.302 7.131 215 2HB GLU 27 HB1 GLU 27 1.093 -5.461 7.164 216 1HG GLU 27 HG2 GLU 27 2.490 -7.287 7.042 217 2HG GLU 27 HG1 GLU 27 3.826 -6.347 6.386 218 H TYR 28 HN TYR 28 0.325 -7.058 5.281 219 HA TYR 28 HA TYR 28 -2.096 -5.602 5.522 220 1HB TYR 28 HB2 TYR 28 -3.172 -6.213 3.419 221 2HB TYR 28 HB1 TYR 28 -1.758 -5.214 3.126 222 HD1 TYR 28 HD1 TYR 28 -3.125 -8.636 2.874 223 HD2 TYR 28 HD2 TYR 28 0.083 -6.037 1.855 224 HE1 TYR 28 HE1 TYR 28 -2.312 -10.286 1.244 225 HE2 TYR 28 HE2 TYR 28 0.906 -7.682 0.227 226 HH TYR 28 HH TYR 28 0.756 -9.963 -0.331 227 H LYS 29 HN LYS 29 -3.966 -6.922 5.685 228 HA LYS 29 HA LYS 29 -3.557 -9.820 5.668 229 1HB LYS 29 HB2 LYS 29 -4.852 -10.097 7.735 230 2HB LYS 29 HB1 LYS 29 -3.388 -9.175 8.036 231 1HG LYS 29 HG2 LYS 29 -5.864 -7.654 7.456 232 2HG LYS 29 HG1 LYS 29 -5.752 -8.474 9.013 233 1HD LYS 29 HD2 LYS 29 -3.624 -6.624 7.958 234 2HD LYS 29 HD1 LYS 29 -4.956 -6.087 8.983 235 1HE LYS 29 HE2 LYS 29 -4.238 -7.702 10.706 236 2HE LYS 29 HE1 LYS 29 -2.877 -8.153 9.681 237 1HZ LYS 29 HZ1 LYS 29 -2.284 -6.544 11.418 238 2HZ LYS 29 HZ2 LYS 29 -3.360 -5.421 10.740 239 3HZ LYS 29 HZ3 LYS 29 -2.004 -5.941 9.858 240 H MET 30 HN MET 30 -5.564 -10.983 5.318 241 HA MET 30 HA MET 30 -7.443 -9.299 3.809 242 1HB MET 30 HB2 MET 30 -7.203 -12.322 3.833 243 2HB MET 30 HB1 MET 30 -8.157 -11.349 2.721 244 1HG MET 30 HG2 MET 30 -6.100 -10.354 1.840 245 2HG MET 30 HG1 MET 30 -5.155 -11.356 2.937 246 1HE MET 30 HE1 MET 30 -7.253 -11.174 -0.321 247 2HE MET 30 HE2 MET 30 -8.338 -12.117 0.703 248 3HE MET 30 HE3 MET 30 -7.563 -12.871 -0.690 249 H ARG 31 HN ARG 31 -9.083 -8.608 4.923 250 HA ARG 31 HA ARG 31 -10.072 -10.021 7.270 251 1HB ARG 31 HB2 ARG 31 -10.858 -7.377 6.029 252 2HB ARG 31 HB1 ARG 31 -11.506 -8.008 7.533 253 1HG ARG 31 HG2 ARG 31 -9.309 -7.866 8.562 254 2HG ARG 31 HG1 ARG 31 -8.622 -7.287 7.039 255 1HD ARG 31 HD2 ARG 31 -10.021 -5.321 7.112 256 2HD ARG 31 HD1 ARG 31 -10.829 -5.912 8.554 257 HE ARG 31 HE ARG 31 -7.947 -5.409 8.660 258 1HH1 ARG 31 HH11 ARG 31 -11.202 -4.601 9.678 259 2HH1 ARG 31 HH12 ARG 31 -10.679 -3.414 10.837 260 1HH2 ARG 31 HH21 ARG 31 -7.256 -3.881 10.168 261 2HH2 ARG 31 HH22 ARG 31 -8.420 -3.017 11.135 262 H ASN 32 HN ASN 32 -12.505 -10.085 7.524 263 HA ASN 32 HA ASN 32 -14.529 -10.910 6.911 264 1HB ASN 32 HB2 ASN 32 -14.462 -8.675 5.653 265 2HB ASN 32 HB1 ASN 32 -14.083 -9.617 4.216 266 1HD2 ASN 32 HD21 ASN 32 -16.375 -7.942 4.747 267 2HD2 ASN 32 HD22 ASN 32 -17.769 -8.956 4.602 268 H ASN 33 HN ASN 33 -12.847 -12.838 6.873 269 HA ASN 33 HA ASN 33 -12.513 -14.960 6.142 270 1HB ASN 33 HB2 ASN 33 -14.969 -14.818 5.631 271 2HB ASN 33 HB1 ASN 33 -14.552 -14.350 3.988 272 1HD2 ASN 33 HD21 ASN 33 -13.918 -15.902 2.547 273 2HD2 ASN 33 HD22 ASN 33 -13.921 -17.596 2.904 274 H GLY 34 HN GLY 34 -11.597 -12.306 4.547 275 1HA GLY 34 HA2 GLY 34 -9.510 -12.287 3.370 276 2HA GLY 34 HA1 GLY 34 -9.919 -13.860 2.699 277 H LYS 35 HN LYS 35 -12.000 -11.008 2.862 278 HA LYS 35 HA LYS 35 -12.000 -10.958 -0.088 279 1HB LYS 35 HB2 LYS 35 -14.189 -10.074 1.804 280 2HB LYS 35 HB1 LYS 35 -14.265 -10.030 0.047 281 1HG LYS 35 HG2 LYS 35 -14.059 -12.489 1.766 282 2HG LYS 35 HG1 LYS 35 -15.487 -11.932 0.890 283 1HD LYS 35 HD2 LYS 35 -14.295 -12.220 -1.229 284 2HD LYS 35 HD1 LYS 35 -12.869 -12.779 -0.352 285 1HE LYS 35 HE2 LYS 35 -14.085 -14.679 -1.204 286 2HE LYS 35 HE1 LYS 35 -14.199 -14.647 0.556 287 1HZ LYS 35 HZ1 LYS 35 -16.333 -15.148 -0.400 288 2HZ LYS 35 HZ2 LYS 35 -16.285 -13.754 -1.363 289 3HZ LYS 35 HZ3 LYS 35 -16.400 -13.615 0.323 290 H VAL 36 HN VAL 36 -11.240 -9.237 2.730 291 HA VAL 36 HA VAL 36 -10.942 -6.759 1.169 292 HB VAL 36 HB VAL 36 -11.650 -7.026 4.094 293 1HG1 VAL 36 HG11 VAL 36 -11.084 -4.534 2.485 294 2HG1 VAL 36 HG12 VAL 36 -10.059 -5.200 3.756 295 3HG1 VAL 36 HG13 VAL 36 -11.661 -4.578 4.151 296 1HG2 VAL 36 HG21 VAL 36 -13.677 -5.793 3.447 297 2HG2 VAL 36 HG22 VAL 36 -13.546 -7.342 2.611 298 3HG2 VAL 36 HG23 VAL 36 -13.156 -5.845 1.763 299 H MET 37 HN MET 37 -8.899 -6.152 0.929 300 HA MET 37 HA MET 37 -6.867 -7.323 2.654 301 1HB MET 37 HB2 MET 37 -6.769 -5.745 0.088 302 2HB MET 37 HB1 MET 37 -5.321 -5.991 1.062 303 1HG MET 37 HG2 MET 37 -5.574 -8.403 0.851 304 2HG MET 37 HG1 MET 37 -7.044 -8.173 -0.094 305 1HE MET 37 HE1 MET 37 -3.888 -5.865 -0.356 306 2HE MET 37 HE2 MET 37 -2.923 -6.697 -1.576 307 3HE MET 37 HE3 MET 37 -3.159 -7.428 0.011 308 H ASP 38 HN ASP 38 -6.497 -6.415 4.466 309 HA ASP 38 HA ASP 38 -6.884 -3.566 4.843 310 1HB ASP 38 HB2 ASP 38 -7.682 -5.161 6.533 311 2HB ASP 38 HB1 ASP 38 -6.053 -5.795 6.717 312 H LEU 39 HN LEU 39 -5.313 -2.358 4.090 313 HA LEU 39 HA LEU 39 -2.593 -3.314 3.908 314 1HB LEU 39 HB2 LEU 39 -4.014 -0.802 3.070 315 2HB LEU 39 HB1 LEU 39 -2.262 -0.867 3.076 316 HG LEU 39 HG LEU 39 -2.210 -2.518 1.390 317 1HD1 LEU 39 HD11 LEU 39 -4.188 -3.557 0.431 318 2HD1 LEU 39 HD12 LEU 39 -5.198 -2.738 1.625 319 3HD1 LEU 39 HD13 LEU 39 -4.022 -3.945 2.145 320 1HD2 LEU 39 HD21 LEU 39 -4.334 -0.488 0.735 321 2HD2 LEU 39 HD22 LEU 39 -3.407 -1.417 -0.442 322 3HD2 LEU 39 HD23 LEU 39 -2.590 -0.256 0.605 323 H VAL 40 HN VAL 40 -1.234 -3.182 5.549 324 HA VAL 40 HA VAL 40 -1.861 -1.223 7.654 325 HB VAL 40 HB VAL 40 -0.815 -4.041 8.007 326 1HG1 VAL 40 HG11 VAL 40 -1.522 -1.930 10.038 327 2HG1 VAL 40 HG12 VAL 40 0.088 -2.556 9.687 328 3HG1 VAL 40 HG13 VAL 40 -1.127 -3.608 10.413 329 1HG2 VAL 40 HG21 VAL 40 -3.499 -2.869 8.714 330 2HG2 VAL 40 HG22 VAL 40 -2.961 -4.514 9.054 331 3HG2 VAL 40 HG23 VAL 40 -3.177 -3.983 7.386 332 H HIS 41 HN HIS 41 -0.256 0.180 7.884 333 HA HIS 41 HA HIS 41 1.792 0.933 8.455 334 1HB HIS 41 HB2 HIS 41 1.965 -1.228 9.708 335 2HB HIS 41 HB1 HIS 41 2.705 -1.945 8.288 336 HD1 HIS 41 HD1 HIS 41 4.191 -1.968 10.915 337 HD2 HIS 41 HD2 HIS 41 4.611 1.058 8.100 338 HE1 HIS 41 HE1 HIS 41 6.430 -0.936 11.370 339 HE2 HIS 41 HE2 HIS 41 6.537 1.051 9.834 340 H THR 42 HN THR 42 1.933 2.070 6.527 341 HA THR 42 HA THR 42 3.715 0.984 4.496 342 HB THR 42 HB THR 42 2.003 2.598 3.747 343 HG1 THR 42 HG1 THR 42 3.407 3.309 2.360 344 1HG2 THR 42 HG21 THR 42 1.757 3.916 5.777 345 2HG2 THR 42 HG22 THR 42 2.159 4.969 4.422 346 3HG2 THR 42 HG23 THR 42 3.401 4.534 5.602 347 H TYR 43 HN TYR 43 5.911 1.232 4.580 348 HA TYR 43 HA TYR 43 6.945 3.291 6.371 349 1HB TYR 43 HB2 TYR 43 6.809 0.946 7.493 350 2HB TYR 43 HB1 TYR 43 8.210 0.578 6.485 351 HD1 TYR 43 HD1 TYR 43 7.154 3.570 8.497 352 HD2 TYR 43 HD2 TYR 43 10.147 0.671 7.650 353 HE1 TYR 43 HE1 TYR 43 8.644 4.629 10.146 354 HE2 TYR 43 HE2 TYR 43 11.640 1.714 9.281 355 HH TYR 43 HH TYR 43 11.968 3.868 10.363 356 H VAL 44 HN VAL 44 8.778 4.209 5.757 357 HA VAL 44 HA VAL 44 10.425 2.992 3.701 358 HB VAL 44 HB VAL 44 8.708 4.342 2.491 359 1HG1 VAL 44 HG11 VAL 44 8.328 6.086 4.137 360 2HG1 VAL 44 HG12 VAL 44 8.786 6.778 2.581 361 3HG1 VAL 44 HG13 VAL 44 9.965 6.692 3.889 362 1HG2 VAL 44 HG21 VAL 44 10.282 5.563 1.067 363 2HG2 VAL 44 HG22 VAL 44 10.870 3.952 1.481 364 3HG2 VAL 44 HG23 VAL 44 11.530 5.369 2.298 365 HA PRO 45 HA PRO 45 13.362 4.720 6.530 366 1HB PRO 45 HB2 PRO 45 15.624 4.392 5.081 367 2HB PRO 45 HB1 PRO 45 14.776 3.041 5.845 368 1HG PRO 45 HG2 PRO 45 14.683 3.971 3.001 369 2HG PRO 45 HG1 PRO 45 14.803 2.319 3.635 370 1HD PRO 45 HD2 PRO 45 12.468 3.376 2.768 371 2HD PRO 45 HD1 PRO 45 12.549 2.189 4.085 372 H SER 46 HN SER 46 15.190 6.315 6.553 373 HA SER 46 HA SER 46 14.336 8.831 5.737 374 1HB SER 46 HB2 SER 46 16.796 9.452 6.262 375 2HB SER 46 HB1 SER 46 15.808 8.770 7.554 376 HG SER 46 HG SER 46 16.838 6.844 7.353 377 H PHE 47 HN PHE 47 16.031 6.468 3.944 378 HA PHE 47 HA PHE 47 17.406 8.116 2.112 379 1HB PHE 47 HB2 PHE 47 16.331 5.324 1.672 380 2HB PHE 47 HB1 PHE 47 17.608 6.108 0.749 381 HD1 PHE 47 HD1 PHE 47 16.763 4.332 3.801 382 HD2 PHE 47 HD2 PHE 47 19.809 6.482 1.754 383 HE1 PHE 47 HE1 PHE 47 18.443 3.427 5.354 384 HE2 PHE 47 HE2 PHE 47 21.495 5.580 3.299 385 HZ PHE 47 HZ PHE 47 20.789 4.023 5.112 386 H LYS 48 HN LYS 48 14.083 6.980 2.261 387 HA LYS 48 HA LYS 48 13.510 8.409 -0.246 388 1HB LYS 48 HB2 LYS 48 12.608 5.602 0.446 389 2HB LYS 48 HB1 LYS 48 11.922 6.554 -0.859 390 1HG LYS 48 HG2 LYS 48 13.960 6.532 -2.070 391 2HG LYS 48 HG1 LYS 48 14.844 5.867 -0.694 392 1HD LYS 48 HD2 LYS 48 12.566 4.408 -2.030 393 2HD LYS 48 HD1 LYS 48 14.245 4.235 -2.546 394 1HE LYS 48 HE2 LYS 48 13.373 3.775 0.297 395 2HE LYS 48 HE1 LYS 48 13.362 2.495 -0.914 396 1HZ LYS 48 HZ1 LYS 48 15.786 4.083 -0.273 397 2HZ LYS 48 HZ2 LYS 48 15.691 2.658 -1.180 398 3HZ LYS 48 HZ3 LYS 48 15.414 2.615 0.495 399 H ARG 49 HN ARG 49 13.074 9.100 2.581 400 HA ARG 49 HA ARG 49 10.427 8.692 3.403 401 1HB ARG 49 HB2 ARG 49 12.407 10.879 3.981 402 2HB ARG 49 HB1 ARG 49 10.785 10.910 4.655 403 1HG ARG 49 HG2 ARG 49 12.809 8.727 5.066 404 2HG ARG 49 HG1 ARG 49 12.407 9.998 6.224 405 1HD ARG 49 HD2 ARG 49 10.617 7.801 5.206 406 2HD ARG 49 HD1 ARG 49 11.232 8.010 6.845 407 HE ARG 49 HE ARG 49 9.708 10.265 6.009 408 1HH1 ARG 49 HH11 ARG 49 9.445 7.005 7.257 409 2HH1 ARG 49 HH12 ARG 49 7.854 7.251 7.918 410 1HH2 ARG 49 HH21 ARG 49 7.605 10.564 6.790 411 2HH2 ARG 49 HH22 ARG 49 6.793 9.273 7.631 412 H GLY 50 HN GLY 50 8.617 9.257 2.437 413 1HA GLY 50 HA2 GLY 50 7.021 10.502 1.368 414 2HA GLY 50 HA1 GLY 50 7.969 11.921 1.784 415 H LEU 51 HN LEU 51 9.569 9.527 -0.040 416 HA LEU 51 HA LEU 51 9.836 11.247 -2.305 417 1HB LEU 51 HB2 LEU 51 11.605 9.707 -1.508 418 2HB LEU 51 HB1 LEU 51 10.592 8.345 -1.937 419 HG LEU 51 HG LEU 51 11.375 10.296 -4.068 420 1HD1 LEU 51 HD11 LEU 51 13.399 8.993 -4.490 421 2HD1 LEU 51 HD12 LEU 51 13.090 8.034 -3.043 422 3HD1 LEU 51 HD13 LEU 51 13.459 9.753 -2.899 423 1HD2 LEU 51 HD21 LEU 51 11.229 8.308 -5.463 424 2HD2 LEU 51 HD22 LEU 51 9.741 8.521 -4.536 425 3HD2 LEU 51 HD23 LEU 51 10.926 7.314 -4.038 426 H GLY 52 HN GLY 52 7.709 8.697 -1.368 427 1HA GLY 52 HA2 GLY 52 5.625 8.620 -2.789 428 2HA GLY 52 HA1 GLY 52 6.742 8.444 -4.140 429 H LEU 53 HN LEU 53 8.537 6.815 -2.460 430 HA LEU 53 HA LEU 53 7.811 4.304 -3.347 431 1HB LEU 53 HB2 LEU 53 10.075 5.185 -2.569 432 2HB LEU 53 HB1 LEU 53 9.547 4.807 -0.942 433 HG LEU 53 HG LEU 53 11.028 3.110 -2.261 434 1HD1 LEU 53 HD11 LEU 53 9.989 2.720 -0.051 435 2HD1 LEU 53 HD12 LEU 53 10.087 1.272 -1.055 436 3HD1 LEU 53 HD13 LEU 53 8.545 2.122 -0.876 437 1HD2 LEU 53 HD21 LEU 53 9.733 1.461 -3.501 438 2HD2 LEU 53 HD22 LEU 53 9.644 3.052 -4.258 439 3HD2 LEU 53 HD23 LEU 53 8.283 2.449 -3.308 440 H ALA 54 HN ALA 54 7.308 5.737 -0.135 441 HA ALA 54 HA ALA 54 6.242 3.534 1.181 442 1HB ALA 54 HB1 ALA 54 5.154 5.148 2.667 443 2HB ALA 54 HB2 ALA 54 5.481 6.437 1.507 444 3HB ALA 54 HB3 ALA 54 6.818 5.616 2.313 445 H SER 55 HN SER 55 4.545 6.034 -0.665 446 HA SER 55 HA SER 55 1.979 4.932 -0.590 447 1HB SER 55 HB2 SER 55 2.418 7.219 -1.375 448 2HB SER 55 HB1 SER 55 3.307 6.588 -2.760 449 HG SER 55 HG SER 55 1.453 6.596 -3.730 450 H HIS 56 HN HIS 56 4.648 4.468 -2.901 451 HA HIS 56 HA HIS 56 3.289 2.883 -4.745 452 1HB HIS 56 HB2 HIS 56 6.088 3.454 -4.150 453 2HB HIS 56 HB1 HIS 56 5.836 1.839 -4.809 454 HD1 HIS 56 HD1 HIS 56 4.444 1.789 -7.146 455 HD2 HIS 56 HD2 HIS 56 6.111 5.434 -6.015 456 HE1 HIS 56 HE1 HIS 56 4.501 3.186 -9.237 457 HE2 HIS 56 HE2 HIS 56 5.644 5.333 -8.570 458 H LEU 57 HN LEU 57 4.685 2.079 -1.678 459 HA LEU 57 HA LEU 57 4.441 -0.744 -1.916 460 1HB LEU 57 HB2 LEU 57 4.407 1.024 0.538 461 2HB LEU 57 HB1 LEU 57 4.607 -0.718 0.551 462 HG LEU 57 HG LEU 57 6.535 1.139 -0.835 463 1HD1 LEU 57 HD11 LEU 57 6.704 -0.024 1.942 464 2HD1 LEU 57 HD12 LEU 57 6.455 1.677 1.545 465 3HD1 LEU 57 HD13 LEU 57 7.972 0.884 1.118 466 1HD2 LEU 57 HD21 LEU 57 8.026 -0.791 -0.722 467 2HD2 LEU 57 HD22 LEU 57 6.546 -1.187 -1.594 468 3HD2 LEU 57 HD23 LEU 57 6.761 -1.730 0.070 469 H CYS 58 HN CYS 58 2.404 1.764 -0.435 470 HA CYS 58 HA CYS 58 0.241 0.092 0.239 471 1HB CYS 58 HB2 CYS 58 0.493 2.333 1.182 472 2HB CYS 58 HB1 CYS 58 0.249 3.065 -0.408 473 HG CYS 58 HG CYS 58 -2.395 1.606 -0.414 474 H VAL 59 HN VAL 59 0.955 1.927 -2.682 475 HA VAL 59 HA VAL 59 -1.462 1.403 -4.041 476 HB VAL 59 HB VAL 59 1.281 2.152 -5.073 477 1HG1 VAL 59 HG11 VAL 59 0.067 0.987 -6.843 478 2HG1 VAL 59 HG12 VAL 59 0.193 2.710 -7.195 479 3HG1 VAL 59 HG13 VAL 59 -1.324 2.041 -6.592 480 1HG2 VAL 59 HG21 VAL 59 0.279 4.357 -5.367 481 2HG2 VAL 59 HG22 VAL 59 0.162 3.832 -3.686 482 3HG2 VAL 59 HG23 VAL 59 -1.252 3.754 -4.737 483 H ALA 60 HN ALA 60 1.551 -0.394 -3.752 484 HA ALA 60 HA ALA 60 1.098 -2.207 -5.867 485 1HB ALA 60 HB1 ALA 60 3.286 -1.932 -4.768 486 2HB ALA 60 HB2 ALA 60 2.768 -3.617 -4.807 487 3HB ALA 60 HB3 ALA 60 2.638 -2.688 -3.312 488 H ALA 61 HN ALA 61 -0.031 -2.141 -2.519 489 HA ALA 61 HA ALA 61 -1.171 -4.753 -2.607 490 1HB ALA 61 HB1 ALA 61 -2.357 -4.098 -0.589 491 2HB ALA 61 HB2 ALA 61 -1.904 -2.413 -0.848 492 3HB ALA 61 HB3 ALA 61 -0.664 -3.617 -0.492 493 H PHE 62 HN PHE 62 -2.286 -1.502 -3.370 494 HA PHE 62 HA PHE 62 -4.944 -2.093 -4.025 495 1HB PHE 62 HB2 PHE 62 -3.022 -0.052 -5.147 496 2HB PHE 62 HB1 PHE 62 -4.682 -0.182 -5.708 497 HD1 PHE 62 HD1 PHE 62 -6.180 -0.591 -3.243 498 HD2 PHE 62 HD2 PHE 62 -2.842 1.939 -4.018 499 HE1 PHE 62 HE1 PHE 62 -6.880 0.877 -1.378 500 HE2 PHE 62 HE2 PHE 62 -3.538 3.418 -2.178 501 HZ PHE 62 HZ PHE 62 -5.638 2.978 -0.966 502 H GLU 63 HN GLU 63 -2.027 -2.079 -6.045 503 HA GLU 63 HA GLU 63 -3.140 -2.823 -8.471 504 1HB GLU 63 HB2 GLU 63 -0.441 -3.686 -7.408 505 2HB GLU 63 HB1 GLU 63 -0.922 -3.623 -9.097 506 1HG GLU 63 HG2 GLU 63 -1.239 -1.144 -8.792 507 2HG GLU 63 HG1 GLU 63 -0.472 -1.322 -7.216 508 H HIS 64 HN HIS 64 -2.247 -4.799 -5.722 509 HA HIS 64 HA HIS 64 -2.463 -7.299 -7.091 510 1HB HIS 64 HB2 HIS 64 -1.066 -6.940 -5.060 511 2HB HIS 64 HB1 HIS 64 -2.534 -6.744 -4.118 512 HD1 HIS 64 HD1 HIS 64 -0.467 -9.327 -5.878 513 HD2 HIS 64 HD2 HIS 64 -3.860 -9.128 -3.474 514 HE1 HIS 64 HE1 HIS 64 -0.943 -11.695 -5.174 515 HE2 HIS 64 HE2 HIS 64 -2.972 -11.555 -3.682 516 H ALA 65 HN ALA 65 -4.526 -5.615 -4.716 517 HA ALA 65 HA ALA 65 -6.537 -7.616 -4.753 518 1HB ALA 65 HB1 ALA 65 -6.775 -4.750 -3.867 519 2HB ALA 65 HB2 ALA 65 -6.194 -6.082 -2.867 520 3HB ALA 65 HB3 ALA 65 -7.861 -6.077 -3.448 521 H SER 66 HN SER 66 -6.374 -4.365 -6.247 522 HA SER 66 HA SER 66 -8.852 -4.417 -7.511 523 1HB SER 66 HB2 SER 66 -7.372 -2.428 -7.399 524 2HB SER 66 HB1 SER 66 -6.312 -3.174 -8.594 525 HG SER 66 HG SER 66 -8.513 -3.305 -9.794 526 H SER 67 HN SER 67 -5.858 -5.996 -8.425 527 HA SER 67 HA SER 67 -6.610 -6.628 -11.090 528 1HB SER 67 HB2 SER 67 -4.262 -6.644 -10.122 529 2HB SER 67 HB1 SER 67 -4.678 -8.174 -9.353 530 HG SER 67 HG SER 67 -3.791 -7.793 -11.801 531 H HIS 68 HN HIS 68 -7.161 -8.135 -7.977 532 HA HIS 68 HA HIS 68 -8.434 -10.438 -9.301 533 1HB HIS 68 HB2 HIS 68 -6.582 -10.713 -7.521 534 2HB HIS 68 HB1 HIS 68 -7.817 -10.241 -6.361 535 HD1 HIS 68 HD1 HIS 68 -9.631 -11.964 -5.789 536 HD2 HIS 68 HD2 HIS 68 -6.972 -13.258 -8.707 537 HE1 HIS 68 HE1 HIS 68 -10.029 -14.431 -6.016 538 HE2 HIS 68 HE2 HIS 68 -8.528 -15.164 -7.899 539 H SER 69 HN SER 69 -9.430 -7.575 -8.582 540 HA SER 69 HA SER 69 -11.394 -6.580 -8.027 541 1HB SER 69 HB2 SER 69 -12.264 -8.360 -9.582 542 2HB SER 69 HB1 SER 69 -12.585 -9.364 -8.170 543 HG SER 69 HG SER 69 -13.680 -7.026 -7.663 544 H ILE 70 HN ILE 70 -9.648 -7.497 -5.923 545 HA ILE 70 HA ILE 70 -11.417 -8.346 -3.763 546 HB ILE 70 HB ILE 70 -8.450 -7.732 -3.717 547 1HG1 ILE 70 HG12 ILE 70 -9.881 -10.396 -3.825 548 2HG1 ILE 70 HG11 ILE 70 -9.011 -9.651 -5.163 549 1HG2 ILE 70 HG21 ILE 70 -9.460 -7.506 -1.516 550 2HG2 ILE 70 HG22 ILE 70 -8.431 -8.937 -1.585 551 3HG2 ILE 70 HG23 ILE 70 -10.184 -9.106 -1.671 552 1HD1 ILE 70 HD11 ILE 70 -7.670 -11.371 -4.129 553 2HD1 ILE 70 HD12 ILE 70 -7.825 -10.583 -2.558 554 3HD1 ILE 70 HD13 ILE 70 -6.937 -9.790 -3.857 555 H SER 71 HN SER 71 -11.727 -7.064 -1.852 556 HA SER 71 HA SER 71 -11.641 -4.197 -2.403 557 1HB SER 71 HB2 SER 71 -12.921 -5.675 -0.086 558 2HB SER 71 HB1 SER 71 -13.167 -3.982 -0.517 559 HG SER 71 HG SER 71 -13.694 -6.006 -2.400 560 H ILE 72 HN ILE 72 -11.036 -2.778 -0.439 561 HA ILE 72 HA ILE 72 -8.766 -3.937 1.019 562 HB ILE 72 HB ILE 72 -8.580 -1.633 -0.946 563 1HG1 ILE 72 HG12 ILE 72 -7.212 -4.307 -0.725 564 2HG1 ILE 72 HG11 ILE 72 -8.244 -3.727 -2.028 565 1HG2 ILE 72 HG21 ILE 72 -6.509 -2.450 1.083 566 2HG2 ILE 72 HG22 ILE 72 -7.413 -0.934 1.055 567 3HG2 ILE 72 HG23 ILE 72 -6.261 -1.299 -0.232 568 1HD1 ILE 72 HD11 ILE 72 -6.561 -2.144 -2.706 569 2HD1 ILE 72 HD12 ILE 72 -5.869 -3.764 -2.632 570 3HD1 ILE 72 HD13 ILE 72 -5.539 -2.603 -1.346 571 H ILE 73 HN ILE 73 -8.091 -2.747 2.787 572 HA ILE 73 HA ILE 73 -9.471 -0.245 3.446 573 HB ILE 73 HB ILE 73 -9.183 -2.665 5.234 574 1HG1 ILE 73 HG12 ILE 73 -11.237 -2.491 3.904 575 2HG1 ILE 73 HG11 ILE 73 -11.574 -2.332 5.625 576 1HG2 ILE 73 HG21 ILE 73 -9.871 -1.280 7.134 577 2HG2 ILE 73 HG22 ILE 73 -9.774 0.160 6.118 578 3HG2 ILE 73 HG23 ILE 73 -8.312 -0.764 6.480 579 1HD1 ILE 73 HD11 ILE 73 -12.881 -0.756 4.321 580 2HD1 ILE 73 HD12 ILE 73 -11.402 -0.073 3.643 581 3HD1 ILE 73 HD13 ILE 73 -11.740 0.092 5.365 582 HA PRO 74 HA PRO 74 -5.062 0.335 3.984 583 1HB PRO 74 HB2 PRO 74 -5.286 3.093 3.452 584 2HB PRO 74 HB1 PRO 74 -4.872 1.820 2.301 585 1HG PRO 74 HG2 PRO 74 -7.209 3.380 2.290 586 2HG PRO 74 HG1 PRO 74 -6.920 1.911 1.344 587 1HD PRO 74 HD2 PRO 74 -8.426 2.263 3.892 588 2HD PRO 74 HD1 PRO 74 -8.709 1.124 2.557 589 H SER 75 HN SER 75 -4.909 0.027 6.222 590 HA SER 75 HA SER 75 -5.486 2.053 8.146 591 1HB SER 75 HB2 SER 75 -5.128 -0.331 8.739 592 2HB SER 75 HB1 SER 75 -3.446 -0.194 8.238 593 HG SER 75 HG SER 75 -3.028 1.128 9.942 594 H CYS 76 HN CYS 76 -3.039 1.451 5.876 595 HA CYS 76 HA CYS 76 -1.019 3.215 6.633 596 1HB CYS 76 HB2 CYS 76 -1.780 2.616 3.775 597 2HB CYS 76 HB1 CYS 76 -0.208 3.056 4.419 598 HG CYS 76 HG CYS 76 -0.677 0.233 3.637 599 H SER 77 HN SER 77 -3.806 4.330 6.864 600 HA SER 77 HA SER 77 -4.701 5.911 4.835 601 1HB SER 77 HB2 SER 77 -4.906 6.598 7.768 602 2HB SER 77 HB1 SER 77 -6.022 7.064 6.486 603 HG SER 77 HG SER 77 -5.998 4.524 6.263 604 H TYR 78 HN TYR 78 -1.806 6.642 6.608 605 HA TYR 78 HA TYR 78 -1.603 9.386 6.070 606 1HB TYR 78 HB2 TYR 78 0.361 8.803 7.056 607 2HB TYR 78 HB1 TYR 78 0.266 7.148 6.470 608 HD1 TYR 78 HD1 TYR 78 1.294 10.580 5.565 609 HD2 TYR 78 HD2 TYR 78 1.557 6.448 4.587 610 HE1 TYR 78 HE1 TYR 78 3.096 11.092 3.975 611 HE2 TYR 78 HE2 TYR 78 3.355 6.940 2.984 612 HH TYR 78 HH TYR 78 4.210 8.778 1.689 613 H VAL 79 HN VAL 79 -0.916 6.575 4.033 614 HA VAL 79 HA VAL 79 -0.488 7.893 1.592 615 HB VAL 79 HB VAL 79 -1.662 5.150 2.120 616 1HG1 VAL 79 HG11 VAL 79 -0.991 4.603 -0.175 617 2HG1 VAL 79 HG12 VAL 79 -0.500 6.278 -0.427 618 3HG1 VAL 79 HG13 VAL 79 -2.196 5.889 -0.135 619 1HG2 VAL 79 HG21 VAL 79 0.566 5.404 3.065 620 2HG2 VAL 79 HG22 VAL 79 1.174 5.977 1.512 621 3HG2 VAL 79 HG23 VAL 79 0.597 4.317 1.675 622 H SER 80 HN SER 80 -3.380 6.571 3.105 623 HA SER 80 HA SER 80 -5.172 6.883 1.013 624 1HB SER 80 HB2 SER 80 -5.780 7.205 3.956 625 2HB SER 80 HB1 SER 80 -6.930 6.789 2.685 626 HG SER 80 HG SER 80 -6.410 4.846 3.364 627 H ASP 81 HN ASP 81 -4.288 9.198 3.517 628 HA ASP 81 HA ASP 81 -6.381 11.016 2.899 629 1HB ASP 81 HB2 ASP 81 -5.390 10.955 5.122 630 2HB ASP 81 HB1 ASP 81 -3.814 11.398 4.477 631 H THR 82 HN THR 82 -2.875 11.016 2.140 632 HA THR 82 HA THR 82 -3.279 13.399 0.525 633 HB THR 82 HB THR 82 -1.276 13.461 1.810 634 HG1 THR 82 HG1 THR 82 -1.299 14.069 -0.584 635 1HG2 THR 82 HG21 THR 82 -0.462 10.894 0.448 636 2HG2 THR 82 HG22 THR 82 -0.906 11.076 2.145 637 3HG2 THR 82 HG23 THR 82 0.553 11.853 1.528 638 H PHE 83 HN PHE 83 -2.182 10.051 -0.044 639 HA PHE 83 HA PHE 83 -1.649 10.561 -2.798 640 1HB PHE 83 HB2 PHE 83 -1.807 7.960 -1.279 641 2HB PHE 83 HB1 PHE 83 -1.206 8.146 -2.922 642 HD1 PHE 83 HD1 PHE 83 -0.055 7.559 0.157 643 HD2 PHE 83 HD2 PHE 83 0.467 10.455 -2.919 644 HE1 PHE 83 HE1 PHE 83 2.194 8.058 1.019 645 HE2 PHE 83 HE2 PHE 83 2.727 10.945 -2.070 646 HZ PHE 83 HZ PHE 83 3.553 9.864 -0.069 647 H LEU 84 HN LEU 84 -4.343 9.028 -1.105 648 HA LEU 84 HA LEU 84 -5.458 7.851 -3.409 649 1HB LEU 84 HB2 LEU 84 -6.506 8.516 -0.706 650 2HB LEU 84 HB1 LEU 84 -7.610 7.982 -1.958 651 HG LEU 84 HG LEU 84 -5.181 6.433 -1.052 652 1HD1 LEU 84 HD11 LEU 84 -6.828 6.550 0.728 653 2HD1 LEU 84 HD12 LEU 84 -6.790 4.934 0.022 654 3HD1 LEU 84 HD13 LEU 84 -8.093 6.048 -0.393 655 1HD2 LEU 84 HD21 LEU 84 -6.157 4.615 -2.331 656 2HD2 LEU 84 HD22 LEU 84 -5.866 6.011 -3.368 657 3HD2 LEU 84 HD23 LEU 84 -7.501 5.651 -2.810 658 HA PRO 85 HA PRO 85 -8.046 11.933 -3.922 659 1HB PRO 85 HB2 PRO 85 -6.151 13.882 -2.781 660 2HB PRO 85 HB1 PRO 85 -7.912 13.825 -2.656 661 1HG PRO 85 HG2 PRO 85 -6.324 13.234 -0.581 662 2HG PRO 85 HG1 PRO 85 -7.870 12.410 -0.845 663 1HD PRO 85 HD2 PRO 85 -5.085 11.442 -1.372 664 2HD PRO 85 HD1 PRO 85 -6.505 10.554 -0.775 665 H ARG 86 HN ARG 86 -4.574 11.687 -3.834 666 HA ARG 86 HA ARG 86 -4.054 13.421 -6.040 667 1HB ARG 86 HB2 ARG 86 -2.397 12.930 -4.294 668 2HB ARG 86 HB1 ARG 86 -2.356 11.247 -4.799 669 1HG ARG 86 HG2 ARG 86 -1.406 11.869 -6.927 670 2HG ARG 86 HG1 ARG 86 -1.543 13.582 -6.518 671 1HD ARG 86 HD2 ARG 86 0.015 13.308 -4.691 672 2HD ARG 86 HD1 ARG 86 0.080 11.567 -4.970 673 HE ARG 86 HE ARG 86 0.825 12.965 -7.316 674 1HH1 ARG 86 HH11 ARG 86 2.018 12.284 -4.094 675 2HH1 ARG 86 HH12 ARG 86 3.681 12.226 -4.590 676 1HH2 ARG 86 HH21 ARG 86 2.989 12.927 -7.971 677 2HH2 ARG 86 HH22 ARG 86 4.248 12.589 -6.814 678 H ASN 87 HN ASN 87 -4.583 9.957 -5.664 679 HA ASN 87 HA ASN 87 -5.228 9.828 -8.496 680 1HB ASN 87 HB2 ASN 87 -3.979 7.652 -8.759 681 2HB ASN 87 HB1 ASN 87 -2.968 9.081 -8.634 682 1HD2 ASN 87 HD21 ASN 87 -1.744 9.399 -6.755 683 2HD2 ASN 87 HD22 ASN 87 -1.409 8.108 -5.659 684 HA PRO 88 HA PRO 88 -8.331 7.780 -5.846 685 1HB PRO 88 HB2 PRO 88 -10.307 8.949 -7.610 686 2HB PRO 88 HB1 PRO 88 -9.990 9.315 -5.913 687 1HG PRO 88 HG2 PRO 88 -9.496 11.064 -7.942 688 2HG PRO 88 HG1 PRO 88 -8.594 11.053 -6.417 689 1HD PRO 88 HD2 PRO 88 -7.836 9.891 -9.075 690 2HD PRO 88 HD1 PRO 88 -6.840 10.802 -7.918 691 H SER 89 HN SER 89 -7.039 6.165 -7.644 692 HA SER 89 HA SER 89 -9.017 5.249 -9.599 693 1HB SER 89 HB2 SER 89 -6.169 4.329 -9.133 694 2HB SER 89 HB1 SER 89 -7.201 3.864 -10.485 695 HG SER 89 HG SER 89 -6.008 5.513 -11.259 696 H TRP 90 HN TRP 90 -8.369 4.703 -6.441 697 HA TRP 90 HA TRP 90 -8.770 1.792 -6.598 698 1HB TRP 90 HB2 TRP 90 -7.670 3.172 -4.178 699 2HB TRP 90 HB1 TRP 90 -7.380 1.530 -4.753 700 HD1 TRP 90 HD1 TRP 90 -5.858 4.892 -4.704 701 HE1 TRP 90 HE1 TRP 90 -3.810 5.003 -6.249 702 HE3 TRP 90 HE3 TRP 90 -6.549 0.514 -7.252 703 HZ2 TRP 90 HZ2 TRP 90 -2.636 3.427 -8.293 704 HZ3 TRP 90 HZ3 TRP 90 -4.920 -0.111 -8.989 705 HH2 TRP 90 HH2 TRP 90 -3.005 1.318 -9.498 706 H LYS 91 HN LYS 91 -10.619 4.305 -6.287 707 HA LYS 91 HA LYS 91 -11.909 4.185 -3.826 708 1HB LYS 91 HB2 LYS 91 -12.301 5.984 -5.450 709 2HB LYS 91 HB1 LYS 91 -13.137 4.855 -6.508 710 1HG LYS 91 HG2 LYS 91 -14.834 4.501 -4.773 711 2HG LYS 91 HG1 LYS 91 -14.006 5.664 -3.741 712 1HD LYS 91 HD2 LYS 91 -15.132 6.303 -6.463 713 2HD LYS 91 HD1 LYS 91 -15.978 6.587 -4.944 714 1HE LYS 91 HE2 LYS 91 -14.103 8.065 -4.234 715 2HE LYS 91 HE1 LYS 91 -13.380 7.842 -5.830 716 1HZ LYS 91 HZ1 LYS 91 -16.030 9.054 -5.265 717 2HZ LYS 91 HZ2 LYS 91 -15.394 8.790 -6.813 718 3HZ LYS 91 HZ3 LYS 91 -14.635 9.884 -5.761 719 HA PRO 92 HA PRO 92 -14.909 0.839 -5.867 720 1HB PRO 92 HB2 PRO 92 -13.497 -0.920 -7.455 721 2HB PRO 92 HB1 PRO 92 -14.547 0.368 -8.053 722 1HG PRO 92 HG2 PRO 92 -11.575 0.346 -7.711 723 2HG PRO 92 HG1 PRO 92 -12.547 1.001 -9.045 724 1HD PRO 92 HD2 PRO 92 -11.518 2.614 -7.195 725 2HD PRO 92 HD1 PRO 92 -13.148 2.897 -7.838 726 H LEU 93 HN LEU 93 -11.761 0.618 -4.592 727 HA LEU 93 HA LEU 93 -12.147 -2.158 -3.707 728 1HB LEU 93 HB2 LEU 93 -9.705 -0.448 -3.305 729 2HB LEU 93 HB1 LEU 93 -9.823 -2.197 -3.224 730 HG LEU 93 HG LEU 93 -10.218 -0.608 -5.751 731 1HD1 LEU 93 HD11 LEU 93 -7.936 -0.330 -4.887 732 2HD1 LEU 93 HD12 LEU 93 -7.961 -1.302 -6.359 733 3HD1 LEU 93 HD13 LEU 93 -7.764 -2.083 -4.789 734 1HD2 LEU 93 HD21 LEU 93 -11.297 -2.779 -5.775 735 2HD2 LEU 93 HD22 LEU 93 -9.808 -3.551 -5.230 736 3HD2 LEU 93 HD23 LEU 93 -9.879 -2.798 -6.824 737 H ILE 94 HN ILE 94 -11.825 1.113 -2.568 738 HA ILE 94 HA ILE 94 -11.980 0.207 0.236 739 HB ILE 94 HB ILE 94 -10.475 2.064 0.828 740 1HG1 ILE 94 HG12 ILE 94 -10.323 2.462 -2.169 741 2HG1 ILE 94 HG11 ILE 94 -10.994 3.592 -0.996 742 1HG2 ILE 94 HG21 ILE 94 -9.507 -0.132 0.400 743 2HG2 ILE 94 HG22 ILE 94 -8.405 1.150 -0.095 744 3HG2 ILE 94 HG23 ILE 94 -9.334 0.268 -1.308 745 1HD1 ILE 94 HD11 ILE 94 -8.120 2.754 -1.221 746 2HD1 ILE 94 HD12 ILE 94 -8.780 3.848 -0.004 747 3HD1 ILE 94 HD13 ILE 94 -8.811 4.302 -1.709 748 H HIS 95 HN HIS 95 -11.949 2.864 1.272 749 HA HIS 95 HA HIS 95 -14.580 3.835 0.794 750 1HB HIS 95 HB2 HIS 95 -12.431 4.404 2.593 751 2HB HIS 95 HB1 HIS 95 -12.906 5.914 1.825 752 HD1 HIS 95 HD1 HIS 95 -15.015 7.005 2.643 753 HD2 HIS 95 HD2 HIS 95 -14.562 3.119 4.054 754 HE1 HIS 95 HE1 HIS 95 -16.781 6.718 4.406 755 HE2 HIS 95 HE2 HIS 95 -16.623 4.296 5.083 756 H SER 96 HN SER 96 -11.839 5.982 0.554 757 HA SER 96 HA SER 96 -11.689 6.176 -2.270 758 1HB SER 96 HB2 SER 96 -13.098 8.437 -0.826 759 2HB SER 96 HB1 SER 96 -12.465 8.542 -2.466 760 HG SER 96 HG SER 96 -14.092 6.378 -2.073 761 H GLU 97 HN GLU 97 -11.461 8.242 0.582 762 HA GLU 97 HA GLU 97 -8.574 8.548 0.175 763 1HB GLU 97 HB2 GLU 97 -9.894 10.608 -0.314 764 2HB GLU 97 HB1 GLU 97 -10.592 10.530 1.294 765 1HG GLU 97 HG2 GLU 97 -8.010 10.592 1.959 766 2HG GLU 97 HG1 GLU 97 -7.928 11.443 0.415 767 H VAL 98 HN VAL 98 -8.608 9.966 2.869 768 HA VAL 98 HA VAL 98 -8.589 7.667 4.556 769 HB VAL 98 HB VAL 98 -7.050 9.529 4.970 770 1HG1 VAL 98 HG11 VAL 98 -8.426 11.395 4.310 771 2HG1 VAL 98 HG12 VAL 98 -7.870 11.625 5.968 772 3HG1 VAL 98 HG13 VAL 98 -9.525 11.102 5.657 773 1HG2 VAL 98 HG21 VAL 98 -7.624 8.065 6.826 774 2HG2 VAL 98 HG22 VAL 98 -8.996 9.096 7.234 775 3HG2 VAL 98 HG23 VAL 98 -7.351 9.713 7.391 776 H PHE 99 HN PHE 99 -10.920 10.158 3.716 777 HA PHE 99 HA PHE 99 -12.942 8.532 4.988 778 1HB PHE 99 HB2 PHE 99 -13.936 10.237 6.353 779 2HB PHE 99 HB1 PHE 99 -12.241 10.088 6.790 780 HD1 PHE 99 HD1 PHE 99 -10.624 11.837 5.935 781 HD2 PHE 99 HD2 PHE 99 -14.847 12.288 5.703 782 HE1 PHE 99 HE1 PHE 99 -10.345 14.265 5.676 783 HE2 PHE 99 HE2 PHE 99 -14.576 14.720 5.434 784 HZ PHE 99 HZ PHE 99 -12.321 15.711 5.421 785 H LYS 100 HN LYS 100 -12.301 11.453 3.017 786 HA LYS 100 HA LYS 100 -15.127 11.625 2.390 787 1HB LYS 100 HB2 LYS 100 -14.529 13.701 1.194 788 2HB LYS 100 HB1 LYS 100 -13.995 13.685 2.867 789 1HG LYS 100 HG2 LYS 100 -12.182 14.587 1.791 790 2HG LYS 100 HG1 LYS 100 -11.740 12.881 1.874 791 1HD LYS 100 HD2 LYS 100 -12.515 12.563 -0.426 792 2HD LYS 100 HD1 LYS 100 -12.988 14.264 -0.501 793 1HE LYS 100 HE2 LYS 100 -10.192 13.205 -0.126 794 2HE LYS 100 HE1 LYS 100 -10.851 13.911 -1.602 795 1HZ LYS 100 HZ1 LYS 100 -9.575 15.550 -0.469 796 2HZ LYS 100 HZ2 LYS 100 -10.397 15.290 0.990 797 3HZ LYS 100 HZ3 LYS 100 -11.207 15.987 -0.328 798 H SER 101 HN SER 101 -15.444 12.495 -0.038 799 HA SER 101 HA SER 101 -15.661 12.002 -2.235 800 1HB SER 101 HB2 SER 101 -13.113 10.432 -1.811 801 2HB SER 101 HB1 SER 101 -13.914 10.579 -3.374 802 HG SER 101 HG SER 101 -13.723 13.022 -2.482 803 H SER 102 HN SER 102 -16.332 10.111 0.169 804 HA SER 102 HA SER 102 -17.475 7.996 -1.492 805 1HB SER 102 HB2 SER 102 -16.813 6.459 0.568 806 2HB SER 102 HB1 SER 102 -15.686 6.741 -0.759 807 HG SER 102 HG SER 102 -14.824 8.489 0.535 808 H ILE 103 HN ILE 103 -17.272 9.376 1.774 809 HA ILE 103 HA ILE 103 -20.116 8.809 2.126 810 HB ILE 103 HB ILE 103 -18.837 8.054 3.998 811 1HG1 ILE 103 HG12 ILE 103 -20.177 10.662 4.744 812 2HG1 ILE 103 HG11 ILE 103 -21.003 9.129 4.493 813 1HG2 ILE 103 HG21 ILE 103 -17.397 9.489 5.338 814 2HG2 ILE 103 HG22 ILE 103 -17.687 10.829 4.228 815 3HG2 ILE 103 HG23 ILE 103 -16.827 9.393 3.671 816 1HD1 ILE 103 HD11 ILE 103 -19.736 8.170 6.369 817 2HD1 ILE 103 HD12 ILE 103 -20.730 9.547 6.845 818 3HD1 ILE 103 HD13 ILE 103 -18.991 9.746 6.640 Start of MODEL 17 1 1H MET 1 HT1 MET 1 13.571 9.614 -11.995 2 2H MET 1 HT2 MET 1 13.577 10.397 -13.495 3 3H MET 1 HT3 MET 1 12.972 11.190 -12.122 4 HA MET 1 HA MET 1 15.777 10.346 -12.539 5 1HB MET 1 HB2 MET 1 14.481 13.077 -12.632 6 2HB MET 1 HB1 MET 1 16.218 12.818 -12.562 7 1HG MET 1 HG2 MET 1 16.119 11.602 -14.682 8 2HG MET 1 HG1 MET 1 14.380 11.881 -14.754 9 1HE MET 1 HE1 MET 1 14.551 12.974 -17.161 10 2HE MET 1 HE2 MET 1 16.279 12.615 -17.140 11 3HE MET 1 HE3 MET 1 15.719 14.231 -17.573 12 H ALA 2 HN ALA 2 14.058 12.848 -10.646 13 HA ALA 2 HA ALA 2 15.712 12.479 -8.373 14 1HB ALA 2 HB1 ALA 2 14.116 13.923 -7.207 15 2HB ALA 2 HB2 ALA 2 12.993 13.776 -8.559 16 3HB ALA 2 HB3 ALA 2 14.546 14.581 -8.785 17 H THR 3 HN THR 3 12.581 11.216 -9.328 18 HA THR 3 HA THR 3 12.914 9.167 -7.253 19 HB THR 3 HB THR 3 11.094 10.579 -6.508 20 HG1 THR 3 HG1 THR 3 9.609 8.968 -6.228 21 1HG2 THR 3 HG21 THR 3 10.432 11.593 -8.620 22 2HG2 THR 3 HG22 THR 3 9.038 10.864 -7.821 23 3HG2 THR 3 HG23 THR 3 9.802 10.044 -9.184 24 H GLU 4 HN GLU 4 13.268 7.285 -8.174 25 HA GLU 4 HA GLU 4 12.276 6.831 -10.904 26 1HB GLU 4 HB2 GLU 4 14.611 5.574 -9.447 27 2HB GLU 4 HB1 GLU 4 14.089 5.137 -11.069 28 1HG GLU 4 HG2 GLU 4 14.546 7.421 -11.822 29 2HG GLU 4 HG1 GLU 4 15.095 7.840 -10.202 30 HA PRO 5 HA PRO 5 9.506 3.776 -9.383 31 1HB PRO 5 HB2 PRO 5 9.453 2.052 -11.506 32 2HB PRO 5 HB1 PRO 5 8.599 3.598 -11.471 33 1HG PRO 5 HG2 PRO 5 11.231 2.915 -12.723 34 2HG PRO 5 HG1 PRO 5 9.911 3.914 -13.361 35 1HD PRO 5 HD2 PRO 5 12.124 4.999 -12.275 36 2HD PRO 5 HD1 PRO 5 10.524 5.752 -12.101 37 HA PRO 6 HA PRO 6 12.577 0.842 -7.763 38 1HB PRO 6 HB2 PRO 6 10.475 0.599 -5.687 39 2HB PRO 6 HB1 PRO 6 12.174 1.005 -5.512 40 1HG PRO 6 HG2 PRO 6 10.356 2.885 -5.181 41 2HG PRO 6 HG1 PRO 6 11.831 3.243 -6.107 42 1HD PRO 6 HD2 PRO 6 9.128 2.435 -7.146 43 2HD PRO 6 HD1 PRO 6 10.099 3.860 -7.595 44 H LYS 7 HN LYS 7 11.719 -1.364 -6.359 45 HA LYS 7 HA LYS 7 9.798 -2.746 -8.055 46 1HB LYS 7 HB2 LYS 7 12.278 -2.966 -8.897 47 2HB LYS 7 HB1 LYS 7 12.434 -4.067 -7.532 48 1HG LYS 7 HG2 LYS 7 11.955 -5.244 -9.624 49 2HG LYS 7 HG1 LYS 7 10.685 -5.479 -8.423 50 1HD LYS 7 HD2 LYS 7 9.835 -5.057 -10.730 51 2HD LYS 7 HD1 LYS 7 9.262 -3.893 -9.533 52 1HE LYS 7 HE2 LYS 7 11.022 -2.325 -10.254 53 2HE LYS 7 HE1 LYS 7 11.519 -3.484 -11.492 54 1HZ LYS 7 HZ1 LYS 7 9.484 -3.225 -12.629 55 2HZ LYS 7 HZ2 LYS 7 10.004 -1.652 -12.248 56 3HZ LYS 7 HZ3 LYS 7 8.771 -2.382 -11.340 57 H ILE 8 HN ILE 8 8.496 -2.892 -6.260 58 HA ILE 8 HA ILE 8 9.621 -3.852 -3.785 59 HB ILE 8 HB ILE 8 6.867 -2.900 -4.544 60 1HG1 ILE 8 HG12 ILE 8 7.398 -1.277 -2.670 61 2HG1 ILE 8 HG11 ILE 8 9.026 -1.940 -2.664 62 1HG2 ILE 8 HG21 ILE 8 6.581 -4.772 -3.023 63 2HG2 ILE 8 HG22 ILE 8 6.213 -3.249 -2.210 64 3HG2 ILE 8 HG23 ILE 8 7.752 -4.060 -1.913 65 1HD1 ILE 8 HD11 ILE 8 7.724 -0.550 -4.985 66 2HD1 ILE 8 HD12 ILE 8 9.379 -1.164 -4.917 67 3HD1 ILE 8 HD13 ILE 8 8.887 0.161 -3.864 68 H VAL 9 HN VAL 9 9.437 -5.791 -2.940 69 HA VAL 9 HA VAL 9 8.462 -7.913 -4.706 70 HB VAL 9 HB VAL 9 10.301 -8.165 -2.328 71 1HG1 VAL 9 HG11 VAL 9 10.973 -10.261 -3.371 72 2HG1 VAL 9 HG12 VAL 9 9.823 -9.986 -4.680 73 3HG1 VAL 9 HG13 VAL 9 9.243 -10.240 -3.035 74 1HG2 VAL 9 HG21 VAL 9 12.144 -8.188 -3.969 75 2HG2 VAL 9 HG22 VAL 9 11.314 -6.634 -3.874 76 3HG2 VAL 9 HG23 VAL 9 10.994 -7.725 -5.224 77 H TRP 10 HN TRP 10 6.814 -9.151 -4.135 78 HA TRP 10 HA TRP 10 5.448 -8.685 -1.650 79 1HB TRP 10 HB2 TRP 10 4.154 -9.051 -3.668 80 2HB TRP 10 HB1 TRP 10 4.921 -10.617 -3.914 81 HD1 TRP 10 HD1 TRP 10 3.705 -9.624 -0.430 82 HE1 TRP 10 HE1 TRP 10 1.750 -11.150 0.241 83 HE3 TRP 10 HE3 TRP 10 2.967 -11.982 -4.908 84 HZ2 TRP 10 HZ2 TRP 10 0.092 -13.083 -0.984 85 HZ3 TRP 10 HZ3 TRP 10 1.166 -13.652 -5.072 86 HH2 TRP 10 HH2 TRP 10 -0.238 -14.189 -3.150 87 H ASN 11 HN ASN 11 5.809 -9.697 0.173 88 HA ASN 11 HA ASN 11 7.103 -12.335 0.154 89 1HB ASN 11 HB2 ASN 11 8.062 -10.529 1.622 90 2HB ASN 11 HB1 ASN 11 6.558 -10.558 2.534 91 1HD2 ASN 11 HD21 ASN 11 9.315 -11.204 3.330 92 2HD2 ASN 11 HD22 ASN 11 9.244 -12.810 3.983 93 H GLU 12 HN GLU 12 5.509 -13.770 -0.225 94 HA GLU 12 HA GLU 12 2.809 -13.453 0.540 95 1HB GLU 12 HB2 GLU 12 4.232 -16.031 -0.099 96 2HB GLU 12 HB1 GLU 12 2.505 -15.730 -0.206 97 1HG GLU 12 HG2 GLU 12 2.855 -14.185 -2.029 98 2HG GLU 12 HG1 GLU 12 4.603 -14.370 -1.880 99 H GLY 13 HN GLY 13 5.549 -14.933 2.110 100 1HA GLY 13 HA2 GLY 13 4.079 -16.508 3.977 101 2HA GLY 13 HA1 GLY 13 5.784 -16.100 4.076 102 H LYS 14 HN LYS 14 5.229 -13.211 3.962 103 HA LYS 14 HA LYS 14 4.455 -12.911 6.774 104 1HB LYS 14 HB2 LYS 14 5.882 -10.947 4.974 105 2HB LYS 14 HB1 LYS 14 5.608 -10.757 6.698 106 1HG LYS 14 HG2 LYS 14 7.365 -12.794 5.355 107 2HG LYS 14 HG1 LYS 14 7.877 -11.414 6.325 108 1HD LYS 14 HD2 LYS 14 6.759 -12.408 8.281 109 2HD LYS 14 HD1 LYS 14 6.319 -13.808 7.299 110 1HE LYS 14 HE2 LYS 14 8.288 -14.352 8.562 111 2HE LYS 14 HE1 LYS 14 8.737 -14.184 6.862 112 1HZ LYS 14 HZ1 LYS 14 10.289 -13.096 8.447 113 2HZ LYS 14 HZ2 LYS 14 9.046 -12.017 8.867 114 3HZ LYS 14 HZ3 LYS 14 9.647 -12.041 7.282 115 H ARG 15 HN ARG 15 3.169 -12.590 3.753 116 HA ARG 15 HA ARG 15 1.497 -11.422 2.762 117 1HB ARG 15 HB2 ARG 15 0.592 -10.841 5.591 118 2HB ARG 15 HB1 ARG 15 -0.386 -10.729 4.135 119 1HG ARG 15 HG2 ARG 15 -0.205 -13.138 3.818 120 2HG ARG 15 HG1 ARG 15 0.799 -13.252 5.267 121 1HD ARG 15 HD2 ARG 15 -2.081 -12.376 5.104 122 2HD ARG 15 HD1 ARG 15 -1.460 -13.860 5.828 123 HE ARG 15 HE ARG 15 -0.196 -11.782 7.138 124 1HH1 ARG 15 HH11 ARG 15 -3.501 -12.856 6.680 125 2HH1 ARG 15 HH12 ARG 15 -4.055 -12.197 8.195 126 1HH2 ARG 15 HH21 ARG 15 -0.906 -10.914 9.095 127 2HH2 ARG 15 HH22 ARG 15 -2.561 -11.115 9.596 128 H ARG 16 HN ARG 16 3.620 -10.042 2.523 129 HA ARG 16 HA ARG 16 2.850 -7.280 3.064 130 1HB ARG 16 HB2 ARG 16 4.911 -6.702 4.145 131 2HB ARG 16 HB1 ARG 16 4.221 -8.079 4.988 132 1HG ARG 16 HG2 ARG 16 5.751 -9.581 4.098 133 2HG ARG 16 HG1 ARG 16 6.274 -8.444 2.859 134 1HD ARG 16 HD2 ARG 16 7.729 -8.878 4.956 135 2HD ARG 16 HD1 ARG 16 7.579 -7.248 4.313 136 HE ARG 16 HE ARG 16 5.629 -7.820 6.343 137 1HH1 ARG 16 HH11 ARG 16 8.968 -6.886 5.756 138 2HH1 ARG 16 HH12 ARG 16 9.152 -6.118 7.312 139 1HH2 ARG 16 HH21 ARG 16 5.863 -6.787 8.369 140 2HH2 ARG 16 HH22 ARG 16 7.390 -6.054 8.789 141 H PHE 17 HN PHE 17 4.384 -5.743 2.026 142 HA PHE 17 HA PHE 17 5.765 -6.896 -0.309 143 1HB PHE 17 HB2 PHE 17 4.463 -4.165 -0.206 144 2HB PHE 17 HB1 PHE 17 5.196 -4.941 -1.606 145 HD1 PHE 17 HD1 PHE 17 2.181 -4.257 0.053 146 HD2 PHE 17 HD2 PHE 17 4.126 -7.226 -2.293 147 HE1 PHE 17 HE1 PHE 17 -0.008 -5.186 -0.578 148 HE2 PHE 17 HE2 PHE 17 1.940 -8.155 -2.933 149 HZ PHE 17 HZ PHE 17 -0.141 -7.125 -2.050 150 H GLU 18 HN GLU 18 7.864 -6.326 -0.499 151 HA GLU 18 HA GLU 18 8.902 -4.205 1.285 152 1HB GLU 18 HB2 GLU 18 9.304 -6.892 1.609 153 2HB GLU 18 HB1 GLU 18 10.695 -6.446 0.627 154 1HG GLU 18 HG2 GLU 18 11.554 -5.045 2.263 155 2HG GLU 18 HG1 GLU 18 9.999 -4.878 3.079 156 H THR 19 HN THR 19 10.167 -2.725 0.354 157 HA THR 19 HA THR 19 10.165 -2.491 -2.431 158 HB THR 19 HB THR 19 10.360 -0.599 -0.772 159 HG1 THR 19 HG1 THR 19 12.533 -0.186 -2.466 160 1HG2 THR 19 HG21 THR 19 12.596 0.038 -0.006 161 2HG2 THR 19 HG22 THR 19 13.256 -1.446 -0.693 162 3HG2 THR 19 HG23 THR 19 12.113 -1.528 0.648 163 H GLU 20 HN GLU 20 12.257 -2.012 -3.643 164 HA GLU 20 HA GLU 20 13.521 -4.426 -4.139 165 1HB GLU 20 HB2 GLU 20 15.222 -2.826 -5.345 166 2HB GLU 20 HB1 GLU 20 13.588 -3.038 -5.941 167 1HG GLU 20 HG2 GLU 20 14.250 -0.699 -5.979 168 2HG GLU 20 HG1 GLU 20 12.896 -0.964 -4.887 169 H ASP 21 HN ASP 21 14.131 -2.324 -1.618 170 HA ASP 21 HA ASP 21 16.903 -3.313 -1.382 171 1HB ASP 21 HB2 ASP 21 16.453 -0.771 -1.651 172 2HB ASP 21 HB1 ASP 21 15.933 -0.847 0.030 173 H HIS 22 HN HIS 22 13.831 -3.549 -0.169 174 HA HIS 22 HA HIS 22 12.911 -4.618 1.586 175 1HB HIS 22 HB2 HIS 22 15.768 -5.436 2.132 176 2HB HIS 22 HB1 HIS 22 14.391 -6.025 3.058 177 HD1 HIS 22 HD1 HIS 22 12.915 -7.798 1.993 178 HD2 HIS 22 HD2 HIS 22 15.923 -6.420 -0.532 179 HE1 HIS 22 HE1 HIS 22 12.936 -9.378 0.028 180 HE2 HIS 22 HE2 HIS 22 14.684 -8.463 -1.541 181 H GLU 23 HN GLU 23 14.571 -1.909 1.777 182 HA GLU 23 HA GLU 23 14.751 -1.407 4.572 183 1HB GLU 23 HB2 GLU 23 14.198 0.586 2.371 184 2HB GLU 23 HB1 GLU 23 14.848 0.932 3.962 185 1HG GLU 23 HG2 GLU 23 16.913 -0.070 3.437 186 2HG GLU 23 HG1 GLU 23 16.269 -0.766 1.950 187 H ALA 24 HN ALA 24 12.498 -0.266 2.142 188 HA ALA 24 HA ALA 24 10.516 0.379 4.157 189 1HB ALA 24 HB1 ALA 24 11.007 2.048 2.456 190 2HB ALA 24 HB2 ALA 24 9.344 1.480 2.302 191 3HB ALA 24 HB3 ALA 24 10.578 0.898 1.188 192 H PHE 25 HN PHE 25 8.420 -0.437 4.114 193 HA PHE 25 HA PHE 25 7.742 -2.582 2.331 194 1HB PHE 25 HB2 PHE 25 7.513 -4.272 4.144 195 2HB PHE 25 HB1 PHE 25 9.188 -3.826 3.801 196 HD1 PHE 25 HD1 PHE 25 6.427 -3.559 6.214 197 HD2 PHE 25 HD2 PHE 25 10.516 -2.677 5.435 198 HE1 PHE 25 HE1 PHE 25 6.764 -3.046 8.594 199 HE2 PHE 25 HE2 PHE 25 10.861 -2.161 7.816 200 HZ PHE 25 HZ PHE 25 8.970 -2.297 9.389 201 H ILE 26 HN ILE 26 5.620 -3.381 2.657 202 HA ILE 26 HA ILE 26 3.972 -1.900 4.577 203 HB ILE 26 HB ILE 26 3.731 -1.790 1.730 204 1HG1 ILE 26 HG12 ILE 26 2.120 -0.710 4.041 205 2HG1 ILE 26 HG11 ILE 26 3.416 0.097 3.164 206 1HG2 ILE 26 HG21 ILE 26 2.342 -3.824 1.904 207 2HG2 ILE 26 HG22 ILE 26 1.412 -2.422 1.380 208 3HG2 ILE 26 HG23 ILE 26 1.287 -2.986 3.047 209 1HD1 ILE 26 HD11 ILE 26 0.700 -0.619 2.084 210 2HD1 ILE 26 HD12 ILE 26 1.999 0.140 1.162 211 3HD1 ILE 26 HD13 ILE 26 1.271 0.992 2.523 212 H GLU 27 HN GLU 27 2.583 -3.128 5.732 213 HA GLU 27 HA GLU 27 2.696 -6.030 5.249 214 1HB GLU 27 HB2 GLU 27 3.276 -4.852 7.508 215 2HB GLU 27 HB1 GLU 27 1.540 -4.688 7.689 216 1HG GLU 27 HG2 GLU 27 1.799 -6.638 8.788 217 2HG GLU 27 HG1 GLU 27 1.653 -7.297 7.158 218 H TYR 28 HN TYR 28 0.553 -7.219 5.573 219 HA TYR 28 HA TYR 28 -1.817 -5.619 5.487 220 1HB TYR 28 HB2 TYR 28 -2.610 -6.096 3.299 221 2HB TYR 28 HB1 TYR 28 -0.952 -5.562 3.090 222 HD1 TYR 28 HD1 TYR 28 -3.034 -8.643 3.305 223 HD2 TYR 28 HD2 TYR 28 0.559 -6.870 1.874 224 HE1 TYR 28 HE1 TYR 28 -2.534 -10.682 2.017 225 HE2 TYR 28 HE2 TYR 28 1.058 -8.892 0.582 226 HH TYR 28 HH TYR 28 0.523 -11.216 0.518 227 H LYS 29 HN LYS 29 -3.778 -7.040 5.099 228 HA LYS 29 HA LYS 29 -3.506 -9.855 5.543 229 1HB LYS 29 HB2 LYS 29 -4.812 -9.875 7.677 230 2HB LYS 29 HB1 LYS 29 -3.193 -9.214 7.836 231 1HG LYS 29 HG2 LYS 29 -5.614 -7.466 7.521 232 2HG LYS 29 HG1 LYS 29 -5.042 -8.034 9.090 233 1HD LYS 29 HD2 LYS 29 -2.759 -7.056 7.884 234 2HD LYS 29 HD1 LYS 29 -4.008 -5.923 7.370 235 1HE LYS 29 HE2 LYS 29 -3.400 -6.721 10.206 236 2HE LYS 29 HE1 LYS 29 -2.917 -5.214 9.437 237 1HZ LYS 29 HZ1 LYS 29 -5.279 -4.699 9.102 238 2HZ LYS 29 HZ2 LYS 29 -4.871 -4.838 10.741 239 3HZ LYS 29 HZ3 LYS 29 -5.704 -6.099 9.970 240 H MET 30 HN MET 30 -5.399 -10.966 4.993 241 HA MET 30 HA MET 30 -7.331 -9.280 3.591 242 1HB MET 30 HB2 MET 30 -7.096 -12.307 3.638 243 2HB MET 30 HB1 MET 30 -8.054 -11.344 2.520 244 1HG MET 30 HG2 MET 30 -6.002 -10.355 1.622 245 2HG MET 30 HG1 MET 30 -5.052 -11.342 2.727 246 1HE MET 30 HE1 MET 30 -8.289 -12.305 0.664 247 2HE MET 30 HE2 MET 30 -7.552 -12.980 -0.790 248 3HE MET 30 HE3 MET 30 -7.355 -11.268 -0.415 249 H ARG 31 HN ARG 31 -9.011 -8.611 4.655 250 HA ARG 31 HA ARG 31 -10.004 -10.031 7.019 251 1HB ARG 31 HB2 ARG 31 -10.627 -7.275 5.940 252 2HB ARG 31 HB1 ARG 31 -11.205 -7.931 7.464 253 1HG ARG 31 HG2 ARG 31 -8.990 -7.955 8.368 254 2HG ARG 31 HG1 ARG 31 -8.296 -7.533 6.801 255 1HD ARG 31 HD2 ARG 31 -8.353 -5.570 8.175 256 2HD ARG 31 HD1 ARG 31 -9.534 -5.396 6.879 257 HE ARG 31 HE ARG 31 -11.060 -6.356 8.851 258 1HH1 ARG 31 HH11 ARG 31 -8.733 -3.738 8.726 259 2HH1 ARG 31 HH12 ARG 31 -9.445 -2.876 10.065 260 1HH2 ARG 31 HH21 ARG 31 -12.010 -5.231 10.591 261 2HH2 ARG 31 HH22 ARG 31 -11.319 -3.728 11.128 262 H ASN 32 HN ASN 32 -12.435 -9.835 7.317 263 HA ASN 32 HA ASN 32 -14.553 -10.358 6.678 264 1HB ASN 32 HB2 ASN 32 -14.122 -8.141 5.422 265 2HB ASN 32 HB1 ASN 32 -13.942 -9.141 3.987 266 1HD2 ASN 32 HD21 ASN 32 -16.094 -7.799 6.286 267 2HD2 ASN 32 HD22 ASN 32 -17.572 -8.298 5.536 268 H ASN 33 HN ASN 33 -12.748 -12.388 6.473 269 HA ASN 33 HA ASN 33 -12.471 -14.480 5.628 270 1HB ASN 33 HB2 ASN 33 -15.002 -14.372 5.534 271 2HB ASN 33 HB1 ASN 33 -14.846 -13.926 3.838 272 1HD2 ASN 33 HD21 ASN 33 -15.951 -15.771 3.187 273 2HD2 ASN 33 HD22 ASN 33 -15.221 -17.340 3.230 274 H GLY 34 HN GLY 34 -11.364 -12.019 4.356 275 1HA GLY 34 HA2 GLY 34 -9.578 -11.955 2.849 276 2HA GLY 34 HA1 GLY 34 -10.190 -13.405 2.081 277 H LYS 35 HN LYS 35 -12.485 -10.926 2.651 278 HA LYS 35 HA LYS 35 -12.677 -10.373 -0.195 279 1HB LYS 35 HB2 LYS 35 -14.326 -9.438 2.158 280 2HB LYS 35 HB1 LYS 35 -14.651 -8.990 0.491 281 1HG LYS 35 HG2 LYS 35 -14.613 -11.815 1.504 282 2HG LYS 35 HG1 LYS 35 -16.066 -10.827 1.359 283 1HD LYS 35 HD2 LYS 35 -15.557 -10.558 -1.069 284 2HD LYS 35 HD1 LYS 35 -14.233 -11.708 -0.867 285 1HE LYS 35 HE2 LYS 35 -16.273 -12.777 -1.730 286 2HE LYS 35 HE1 LYS 35 -15.788 -13.423 -0.160 287 1HZ LYS 35 HZ1 LYS 35 -17.472 -12.149 0.913 288 2HZ LYS 35 HZ2 LYS 35 -18.211 -12.967 -0.376 289 3HZ LYS 35 HZ3 LYS 35 -17.854 -11.314 -0.513 290 H VAL 36 HN VAL 36 -11.457 -8.938 2.686 291 HA VAL 36 HA VAL 36 -11.060 -6.388 1.275 292 HB VAL 36 HB VAL 36 -11.540 -6.939 4.202 293 1HG1 VAL 36 HG11 VAL 36 -9.713 -5.332 4.031 294 2HG1 VAL 36 HG12 VAL 36 -11.185 -4.544 4.599 295 3HG1 VAL 36 HG13 VAL 36 -10.669 -4.344 2.925 296 1HG2 VAL 36 HG21 VAL 36 -12.964 -5.199 2.192 297 2HG2 VAL 36 HG22 VAL 36 -13.390 -5.366 3.895 298 3HG2 VAL 36 HG23 VAL 36 -13.526 -6.752 2.813 299 H MET 37 HN MET 37 -9.044 -5.912 0.814 300 HA MET 37 HA MET 37 -6.836 -7.265 2.138 301 1HB MET 37 HB2 MET 37 -7.244 -6.337 -0.432 302 2HB MET 37 HB1 MET 37 -6.250 -5.077 0.277 303 1HG MET 37 HG2 MET 37 -4.793 -6.582 -0.799 304 2HG MET 37 HG1 MET 37 -4.615 -6.835 0.936 305 1HE MET 37 HE1 MET 37 -4.105 -10.362 -0.843 306 2HE MET 37 HE2 MET 37 -3.312 -9.100 0.101 307 3HE MET 37 HE3 MET 37 -3.763 -8.794 -1.576 308 H ASP 38 HN ASP 38 -6.271 -6.449 4.037 309 HA ASP 38 HA ASP 38 -6.709 -3.625 4.578 310 1HB ASP 38 HB2 ASP 38 -7.362 -5.470 6.168 311 2HB ASP 38 HB1 ASP 38 -5.648 -5.760 6.434 312 H LEU 39 HN LEU 39 -5.209 -2.335 3.864 313 HA LEU 39 HA LEU 39 -2.439 -3.163 3.643 314 1HB LEU 39 HB2 LEU 39 -3.961 -0.686 2.849 315 2HB LEU 39 HB1 LEU 39 -2.210 -0.718 2.821 316 HG LEU 39 HG LEU 39 -2.150 -2.300 1.084 317 1HD1 LEU 39 HD11 LEU 39 -3.859 -3.841 1.802 318 2HD1 LEU 39 HD12 LEU 39 -4.149 -3.354 0.131 319 3HD1 LEU 39 HD13 LEU 39 -5.116 -2.661 1.435 320 1HD2 LEU 39 HD21 LEU 39 -4.397 -0.382 0.502 321 2HD2 LEU 39 HD22 LEU 39 -3.373 -1.183 -0.690 322 3HD2 LEU 39 HD23 LEU 39 -2.677 -0.005 0.423 323 H VAL 40 HN VAL 40 -1.224 -3.076 5.419 324 HA VAL 40 HA VAL 40 -1.925 -1.011 7.376 325 HB VAL 40 HB VAL 40 -2.806 -3.181 8.106 326 1HG1 VAL 40 HG11 VAL 40 -1.199 -4.659 7.031 327 2HG1 VAL 40 HG12 VAL 40 -1.326 -4.997 8.757 328 3HG1 VAL 40 HG13 VAL 40 0.059 -4.100 8.135 329 1HG2 VAL 40 HG21 VAL 40 -0.487 -2.225 9.769 330 2HG2 VAL 40 HG22 VAL 40 -1.842 -3.195 10.344 331 3HG2 VAL 40 HG23 VAL 40 -2.115 -1.549 9.774 332 H HIS 41 HN HIS 41 -0.344 0.322 7.660 333 HA HIS 41 HA HIS 41 1.620 1.064 8.505 334 1HB HIS 41 HB2 HIS 41 1.647 -1.168 9.742 335 2HB HIS 41 HB1 HIS 41 2.706 -1.741 8.466 336 HD1 HIS 41 HD1 HIS 41 3.898 -1.882 11.124 337 HD2 HIS 41 HD2 HIS 41 4.074 1.619 8.886 338 HE1 HIS 41 HE1 HIS 41 5.809 -0.563 12.077 339 HE2 HIS 41 HE2 HIS 41 5.718 1.650 10.886 340 H THR 42 HN THR 42 1.931 2.146 6.560 341 HA THR 42 HA THR 42 3.881 1.071 4.708 342 HB THR 42 HB THR 42 2.281 2.627 3.764 343 HG1 THR 42 HG1 THR 42 4.443 4.359 3.893 344 1HG2 THR 42 HG21 THR 42 1.658 3.821 5.798 345 2HG2 THR 42 HG22 THR 42 2.115 4.955 4.527 346 3HG2 THR 42 HG23 THR 42 3.241 4.600 5.841 347 H TYR 43 HN TYR 43 6.041 1.143 5.115 348 HA TYR 43 HA TYR 43 6.992 3.320 6.824 349 1HB TYR 43 HB2 TYR 43 6.705 0.978 8.009 350 2HB TYR 43 HB1 TYR 43 8.237 0.633 7.204 351 HD1 TYR 43 HD1 TYR 43 6.739 3.527 8.997 352 HD2 TYR 43 HD2 TYR 43 10.089 0.951 8.565 353 HE1 TYR 43 HE1 TYR 43 7.896 4.761 10.764 354 HE2 TYR 43 HE2 TYR 43 11.268 2.182 10.340 355 HH TYR 43 HH TYR 43 11.218 4.415 11.390 356 H VAL 44 HN VAL 44 8.795 4.248 6.147 357 HA VAL 44 HA VAL 44 10.468 2.909 4.173 358 HB VAL 44 HB VAL 44 8.829 3.975 2.770 359 1HG1 VAL 44 HG11 VAL 44 7.951 5.628 4.317 360 2HG1 VAL 44 HG12 VAL 44 8.432 6.394 2.802 361 3HG1 VAL 44 HG13 VAL 44 9.459 6.538 4.230 362 1HG2 VAL 44 HG21 VAL 44 10.247 5.494 1.473 363 2HG2 VAL 44 HG22 VAL 44 11.105 4.036 1.970 364 3HG2 VAL 44 HG23 VAL 44 11.387 5.557 2.816 365 HA PRO 45 HA PRO 45 13.341 5.116 6.783 366 1HB PRO 45 HB2 PRO 45 15.448 3.694 5.402 367 2HB PRO 45 HB1 PRO 45 14.846 3.465 7.046 368 1HG PRO 45 HG2 PRO 45 14.487 1.631 5.071 369 2HG PRO 45 HG1 PRO 45 13.349 1.849 6.414 370 1HD PRO 45 HD2 PRO 45 13.185 2.917 3.609 371 2HD PRO 45 HD1 PRO 45 11.921 2.144 4.595 372 H SER 46 HN SER 46 15.997 5.467 5.884 373 HA SER 46 HA SER 46 15.644 8.148 5.175 374 1HB SER 46 HB2 SER 46 18.223 6.582 5.156 375 2HB SER 46 HB1 SER 46 18.032 8.324 5.374 376 HG SER 46 HG SER 46 18.294 6.884 7.320 377 H PHE 47 HN PHE 47 16.733 5.407 3.185 378 HA PHE 47 HA PHE 47 17.914 6.962 1.158 379 1HB PHE 47 HB2 PHE 47 18.108 4.430 1.531 380 2HB PHE 47 HB1 PHE 47 16.605 4.305 0.639 381 HD1 PHE 47 HD1 PHE 47 16.557 4.444 -1.704 382 HD2 PHE 47 HD2 PHE 47 20.123 5.421 0.402 383 HE1 PHE 47 HE1 PHE 47 17.797 4.478 -3.829 384 HE2 PHE 47 HE2 PHE 47 21.367 5.459 -1.719 385 HZ PHE 47 HZ PHE 47 20.226 5.027 -3.824 386 H LYS 48 HN LYS 48 14.601 6.004 1.689 387 HA LYS 48 HA LYS 48 13.886 7.084 -0.948 388 1HB LYS 48 HB2 LYS 48 12.123 5.377 0.795 389 2HB LYS 48 HB1 LYS 48 11.942 5.720 -0.915 390 1HG LYS 48 HG2 LYS 48 14.144 4.050 0.295 391 2HG LYS 48 HG1 LYS 48 12.685 3.426 -0.469 392 1HD LYS 48 HD2 LYS 48 13.470 4.857 -2.497 393 2HD LYS 48 HD1 LYS 48 15.041 4.783 -1.704 394 1HE LYS 48 HE2 LYS 48 13.382 2.350 -2.300 395 2HE LYS 48 HE1 LYS 48 14.555 3.004 -3.440 396 1HZ LYS 48 HZ1 LYS 48 16.318 2.559 -1.935 397 2HZ LYS 48 HZ2 LYS 48 15.385 1.151 -2.021 398 3HZ LYS 48 HZ3 LYS 48 15.262 2.168 -0.668 399 H ARG 49 HN ARG 49 12.786 6.994 2.440 400 HA ARG 49 HA ARG 49 11.348 8.298 3.621 401 1HB ARG 49 HB2 ARG 49 12.949 10.386 2.152 402 2HB ARG 49 HB1 ARG 49 11.860 10.757 3.479 403 1HG ARG 49 HG2 ARG 49 14.254 8.939 3.653 404 2HG ARG 49 HG1 ARG 49 14.200 10.617 4.192 405 1HD ARG 49 HD2 ARG 49 12.440 8.405 5.250 406 2HD ARG 49 HD1 ARG 49 13.910 8.981 6.034 407 HE ARG 49 HE ARG 49 12.286 11.195 5.642 408 1HH1 ARG 49 HH11 ARG 49 12.236 8.208 7.475 409 2HH1 ARG 49 HH12 ARG 49 11.195 8.843 8.710 410 1HH2 ARG 49 HH21 ARG 49 10.940 12.036 7.286 411 2HH2 ARG 49 HH22 ARG 49 10.445 11.008 8.602 412 H GLY 50 HN GLY 50 11.300 10.840 1.249 413 1HA GLY 50 HA2 GLY 50 8.425 10.269 0.885 414 2HA GLY 50 HA1 GLY 50 9.082 11.887 1.066 415 H LEU 51 HN LEU 51 10.512 9.348 -0.920 416 HA LEU 51 HA LEU 51 10.350 11.008 -3.263 417 1HB LEU 51 HB2 LEU 51 11.113 8.094 -3.064 418 2HB LEU 51 HB1 LEU 51 11.375 9.133 -4.446 419 HG LEU 51 HG LEU 51 12.735 9.350 -1.765 420 1HD1 LEU 51 HD11 LEU 51 13.568 7.533 -3.125 421 2HD1 LEU 51 HD12 LEU 51 14.754 8.837 -3.056 422 3HD1 LEU 51 HD13 LEU 51 13.762 8.620 -4.498 423 1HD2 LEU 51 HD21 LEU 51 14.022 11.174 -2.751 424 2HD2 LEU 51 HD22 LEU 51 12.303 11.570 -2.707 425 3HD2 LEU 51 HD23 LEU 51 13.057 11.073 -4.223 426 H GLY 52 HN GLY 52 8.080 9.114 -1.742 427 1HA GLY 52 HA2 GLY 52 5.909 8.891 -2.871 428 2HA GLY 52 HA1 GLY 52 6.808 8.465 -4.322 429 H LEU 53 HN LEU 53 8.650 6.880 -2.526 430 HA LEU 53 HA LEU 53 7.774 4.405 -3.342 431 1HB LEU 53 HB2 LEU 53 10.090 5.075 -2.661 432 2HB LEU 53 HB1 LEU 53 9.585 4.935 -0.994 433 HG LEU 53 HG LEU 53 10.884 2.982 -2.058 434 1HD1 LEU 53 HD11 LEU 53 9.831 2.839 0.128 435 2HD1 LEU 53 HD12 LEU 53 9.642 1.330 -0.765 436 3HD1 LEU 53 HD13 LEU 53 8.287 2.450 -0.628 437 1HD2 LEU 53 HD21 LEU 53 9.502 1.331 -3.195 438 2HD2 LEU 53 HD22 LEU 53 9.581 2.840 -4.103 439 3HD2 LEU 53 HD23 LEU 53 8.137 2.450 -3.167 440 H ALA 54 HN ALA 54 7.289 5.914 -0.155 441 HA ALA 54 HA ALA 54 6.212 3.745 1.193 442 1HB ALA 54 HB1 ALA 54 6.763 5.888 2.253 443 2HB ALA 54 HB2 ALA 54 5.130 5.357 2.653 444 3HB ALA 54 HB3 ALA 54 5.375 6.630 1.458 445 H SER 55 HN SER 55 4.519 6.197 -0.708 446 HA SER 55 HA SER 55 1.973 5.033 -0.544 447 1HB SER 55 HB2 SER 55 3.050 6.837 -2.719 448 2HB SER 55 HB1 SER 55 1.357 6.611 -2.274 449 HG SER 55 HG SER 55 1.616 8.037 -0.763 450 H HIS 56 HN HIS 56 4.666 4.535 -2.739 451 HA HIS 56 HA HIS 56 3.334 3.077 -4.739 452 1HB HIS 56 HB2 HIS 56 6.176 3.212 -3.812 453 2HB HIS 56 HB1 HIS 56 5.705 1.924 -4.913 454 HD1 HIS 56 HD1 HIS 56 6.297 2.507 -7.206 455 HD2 HIS 56 HD2 HIS 56 5.059 5.846 -5.051 456 HE1 HIS 56 HE1 HIS 56 6.426 4.441 -8.814 457 HE2 HIS 56 HE2 HIS 56 5.614 6.446 -7.513 458 H LEU 57 HN LEU 57 4.619 2.147 -1.616 459 HA LEU 57 HA LEU 57 4.358 -0.644 -1.862 460 1HB LEU 57 HB2 LEU 57 4.058 1.109 0.588 461 2HB LEU 57 HB1 LEU 57 4.248 -0.634 0.616 462 HG LEU 57 HG LEU 57 6.324 1.227 -0.532 463 1HD1 LEU 57 HD11 LEU 57 7.540 0.933 1.556 464 2HD1 LEU 57 HD12 LEU 57 6.193 0.012 2.223 465 3HD1 LEU 57 HD13 LEU 57 5.986 1.722 1.839 466 1HD2 LEU 57 HD21 LEU 57 6.394 -1.097 -1.310 467 2HD2 LEU 57 HD22 LEU 57 6.454 -1.650 0.362 468 3HD2 LEU 57 HD23 LEU 57 7.785 -0.702 -0.303 469 H CYS 58 HN CYS 58 2.158 1.857 -0.704 470 HA CYS 58 HA CYS 58 -0.035 0.196 -0.118 471 1HB CYS 58 HB2 CYS 58 0.248 2.552 0.639 472 2HB CYS 58 HB1 CYS 58 -0.066 3.088 -1.012 473 HG CYS 58 HG CYS 58 -2.648 1.570 -0.806 474 H VAL 59 HN VAL 59 0.871 1.954 -3.054 475 HA VAL 59 HA VAL 59 -1.441 1.383 -4.545 476 HB VAL 59 HB VAL 59 1.369 1.950 -5.501 477 1HG1 VAL 59 HG11 VAL 59 0.069 0.832 -7.251 478 2HG1 VAL 59 HG12 VAL 59 0.375 2.523 -7.648 479 3HG1 VAL 59 HG13 VAL 59 -1.212 2.029 -7.061 480 1HG2 VAL 59 HG21 VAL 59 0.517 4.213 -5.866 481 2HG2 VAL 59 HG22 VAL 59 0.394 3.737 -4.171 482 3HG2 VAL 59 HG23 VAL 59 -1.042 3.731 -5.197 483 H ALA 60 HN ALA 60 1.541 -0.443 -4.066 484 HA ALA 60 HA ALA 60 1.071 -2.352 -6.111 485 1HB ALA 60 HB1 ALA 60 2.798 -3.686 -5.010 486 2HB ALA 60 HB2 ALA 60 2.716 -2.640 -3.592 487 3HB ALA 60 HB3 ALA 60 3.292 -1.999 -5.131 488 H ALA 61 HN ALA 61 -0.053 -2.069 -2.788 489 HA ALA 61 HA ALA 61 -1.147 -4.709 -2.714 490 1HB ALA 61 HB1 ALA 61 -0.662 -3.544 -0.655 491 2HB ALA 61 HB2 ALA 61 -2.389 -3.887 -0.753 492 3HB ALA 61 HB3 ALA 61 -1.793 -2.259 -1.083 493 H PHE 62 HN PHE 62 -2.251 -1.512 -3.680 494 HA PHE 62 HA PHE 62 -4.947 -2.127 -4.172 495 1HB PHE 62 HB2 PHE 62 -3.099 -0.081 -5.383 496 2HB PHE 62 HB1 PHE 62 -4.762 -0.260 -5.930 497 HD1 PHE 62 HD1 PHE 62 -6.344 -0.567 -3.605 498 HD2 PHE 62 HD2 PHE 62 -2.846 1.796 -4.132 499 HE1 PHE 62 HE1 PHE 62 -7.078 0.910 -1.773 500 HE2 PHE 62 HE2 PHE 62 -3.576 3.284 -2.309 501 HZ PHE 62 HZ PHE 62 -5.749 2.890 -1.194 502 H GLU 63 HN GLU 63 -2.146 -2.162 -6.367 503 HA GLU 63 HA GLU 63 -3.408 -3.005 -8.687 504 1HB GLU 63 HB2 GLU 63 -0.692 -3.987 -7.800 505 2HB GLU 63 HB1 GLU 63 -1.273 -3.808 -9.446 506 1HG GLU 63 HG2 GLU 63 -1.389 -1.329 -9.001 507 2HG GLU 63 HG1 GLU 63 -0.526 -1.649 -7.503 508 H HIS 64 HN HIS 64 -2.289 -4.839 -5.936 509 HA HIS 64 HA HIS 64 -2.513 -7.401 -7.122 510 1HB HIS 64 HB2 HIS 64 -1.124 -6.735 -5.103 511 2HB HIS 64 HB1 HIS 64 -2.616 -6.777 -4.174 512 HD1 HIS 64 HD1 HIS 64 0.061 -8.893 -5.497 513 HD2 HIS 64 HD2 HIS 64 -3.783 -9.432 -4.003 514 HE1 HIS 64 HE1 HIS 64 -0.126 -11.349 -4.967 515 HE2 HIS 64 HE2 HIS 64 -2.508 -11.674 -4.195 516 H ALA 65 HN ALA 65 -4.595 -5.582 -4.895 517 HA ALA 65 HA ALA 65 -6.577 -7.632 -4.770 518 1HB ALA 65 HB1 ALA 65 -7.906 -6.020 -3.545 519 2HB ALA 65 HB2 ALA 65 -6.802 -4.727 -4.015 520 3HB ALA 65 HB3 ALA 65 -6.241 -6.024 -2.959 521 H SER 66 HN SER 66 -6.405 -4.486 -6.445 522 HA SER 66 HA SER 66 -8.884 -4.461 -7.639 523 1HB SER 66 HB2 SER 66 -6.298 -3.567 -8.930 524 2HB SER 66 HB1 SER 66 -7.919 -3.035 -9.373 525 HG SER 66 HG SER 66 -6.463 -2.508 -7.013 526 H SER 67 HN SER 67 -5.948 -6.032 -8.946 527 HA SER 67 HA SER 67 -7.238 -6.823 -11.351 528 1HB SER 67 HB2 SER 67 -4.675 -7.838 -10.104 529 2HB SER 67 HB1 SER 67 -5.188 -8.112 -11.772 530 HG SER 67 HG SER 67 -3.746 -6.330 -11.600 531 H HIS 68 HN HIS 68 -6.921 -8.296 -8.201 532 HA HIS 68 HA HIS 68 -7.967 -10.834 -9.212 533 1HB HIS 68 HB2 HIS 68 -6.113 -10.623 -7.427 534 2HB HIS 68 HB1 HIS 68 -7.408 -10.193 -6.316 535 HD1 HIS 68 HD1 HIS 68 -5.967 -13.065 -8.216 536 HD2 HIS 68 HD2 HIS 68 -9.090 -12.329 -5.569 537 HE1 HIS 68 HE1 HIS 68 -6.804 -15.328 -7.506 538 HE2 HIS 68 HE2 HIS 68 -8.618 -14.863 -5.821 539 H SER 69 HN SER 69 -9.244 -7.980 -8.581 540 HA SER 69 HA SER 69 -11.285 -7.149 -8.072 541 1HB SER 69 HB2 SER 69 -11.995 -8.978 -9.657 542 2HB SER 69 HB1 SER 69 -12.293 -9.998 -8.251 543 HG SER 69 HG SER 69 -14.204 -9.117 -8.351 544 H ILE 70 HN ILE 70 -9.846 -7.179 -5.958 545 HA ILE 70 HA ILE 70 -11.500 -8.319 -3.800 546 HB ILE 70 HB ILE 70 -8.558 -7.604 -3.629 547 1HG1 ILE 70 HG12 ILE 70 -9.811 -10.347 -3.920 548 2HG1 ILE 70 HG11 ILE 70 -8.925 -9.498 -5.184 549 1HG2 ILE 70 HG21 ILE 70 -10.342 -9.162 -1.759 550 2HG2 ILE 70 HG22 ILE 70 -9.722 -7.532 -1.494 551 3HG2 ILE 70 HG23 ILE 70 -8.611 -8.902 -1.549 552 1HD1 ILE 70 HD11 ILE 70 -7.555 -11.193 -4.098 553 2HD1 ILE 70 HD12 ILE 70 -7.789 -10.394 -2.544 554 3HD1 ILE 70 HD13 ILE 70 -6.905 -9.576 -3.832 555 H SER 71 HN SER 71 -11.803 -6.962 -1.932 556 HA SER 71 HA SER 71 -11.689 -4.105 -2.531 557 1HB SER 71 HB2 SER 71 -12.953 -5.557 -0.187 558 2HB SER 71 HB1 SER 71 -13.162 -3.851 -0.591 559 HG SER 71 HG SER 71 -13.715 -5.475 -2.699 560 H ILE 72 HN ILE 72 -11.040 -2.697 -0.544 561 HA ILE 72 HA ILE 72 -8.752 -3.892 0.857 562 HB ILE 72 HB ILE 72 -8.615 -1.556 -1.069 563 1HG1 ILE 72 HG12 ILE 72 -7.240 -4.223 -0.890 564 2HG1 ILE 72 HG11 ILE 72 -8.223 -3.588 -2.206 565 1HG2 ILE 72 HG21 ILE 72 -7.448 -0.804 0.891 566 2HG2 ILE 72 HG22 ILE 72 -6.279 -1.202 -0.371 567 3HG2 ILE 72 HG23 ILE 72 -6.539 -2.313 0.973 568 1HD1 ILE 72 HD11 ILE 72 -6.488 -1.967 -2.724 569 2HD1 ILE 72 HD12 ILE 72 -5.874 -3.617 -2.793 570 3HD1 ILE 72 HD13 ILE 72 -5.501 -2.593 -1.406 571 H ILE 73 HN ILE 73 -8.052 -2.731 2.670 572 HA ILE 73 HA ILE 73 -9.384 -0.230 3.407 573 HB ILE 73 HB ILE 73 -9.278 -2.709 5.138 574 1HG1 ILE 73 HG12 ILE 73 -11.266 -2.400 3.707 575 2HG1 ILE 73 HG11 ILE 73 -11.666 -2.315 5.420 576 1HG2 ILE 73 HG21 ILE 73 -9.837 0.112 6.063 577 2HG2 ILE 73 HG22 ILE 73 -8.388 -0.826 6.430 578 3HG2 ILE 73 HG23 ILE 73 -9.959 -1.349 7.042 579 1HD1 ILE 73 HD11 ILE 73 -12.867 -0.628 4.165 580 2HD1 ILE 73 HD12 ILE 73 -11.347 0.028 3.556 581 3HD1 ILE 73 HD13 ILE 73 -11.725 0.127 5.276 582 HA PRO 74 HA PRO 74 -5.003 0.118 4.235 583 1HB PRO 74 HB2 PRO 74 -4.929 2.805 3.607 584 2HB PRO 74 HB1 PRO 74 -4.786 1.484 2.447 585 1HG PRO 74 HG2 PRO 74 -6.919 3.377 2.704 586 2HG PRO 74 HG1 PRO 74 -6.783 2.038 1.555 587 1HD PRO 74 HD2 PRO 74 -8.283 2.194 4.099 588 2HD PRO 74 HD1 PRO 74 -8.558 1.157 2.681 589 H SER 75 HN SER 75 -4.688 -0.037 6.424 590 HA SER 75 HA SER 75 -5.217 2.139 8.241 591 1HB SER 75 HB2 SER 75 -4.888 -0.222 9.005 592 2HB SER 75 HB1 SER 75 -3.210 -0.131 8.474 593 HG SER 75 HG SER 75 -4.442 0.987 10.694 594 H CYS 76 HN CYS 76 -2.922 1.282 5.899 595 HA CYS 76 HA CYS 76 -0.799 3.003 6.312 596 1HB CYS 76 HB2 CYS 76 -2.081 2.034 3.770 597 2HB CYS 76 HB1 CYS 76 -0.530 2.820 3.856 598 HG CYS 76 HG CYS 76 -0.373 -0.035 3.536 599 H SER 77 HN SER 77 -3.607 4.183 6.696 600 HA SER 77 HA SER 77 -4.534 5.734 4.658 601 1HB SER 77 HB2 SER 77 -4.723 6.732 7.467 602 2HB SER 77 HB1 SER 77 -5.964 6.662 6.217 603 HG SER 77 HG SER 77 -5.929 4.354 6.463 604 H TYR 78 HN TYR 78 -1.601 6.433 6.364 605 HA TYR 78 HA TYR 78 -1.385 9.181 5.890 606 1HB TYR 78 HB2 TYR 78 0.583 8.525 6.855 607 2HB TYR 78 HB1 TYR 78 0.497 6.914 6.149 608 HD1 TYR 78 HD1 TYR 78 1.499 10.410 5.516 609 HD2 TYR 78 HD2 TYR 78 1.737 6.386 4.157 610 HE1 TYR 78 HE1 TYR 78 3.281 11.062 3.963 611 HE2 TYR 78 HE2 TYR 78 3.522 7.023 2.585 612 HH TYR 78 HH TYR 78 5.165 9.967 2.762 613 H VAL 79 HN VAL 79 -0.790 6.410 3.781 614 HA VAL 79 HA VAL 79 -0.292 7.866 1.400 615 HB VAL 79 HB VAL 79 -1.389 5.047 1.695 616 1HG1 VAL 79 HG11 VAL 79 -0.466 4.724 -0.564 617 2HG1 VAL 79 HG12 VAL 79 -0.007 6.427 -0.615 618 3HG1 VAL 79 HG13 VAL 79 -1.710 5.974 -0.534 619 1HG2 VAL 79 HG21 VAL 79 1.469 5.996 1.449 620 2HG2 VAL 79 HG22 VAL 79 0.936 4.315 1.418 621 3HG2 VAL 79 HG23 VAL 79 0.723 5.281 2.879 622 H SER 80 HN SER 80 -3.128 6.368 2.833 623 HA SER 80 HA SER 80 -4.915 6.715 0.721 624 1HB SER 80 HB2 SER 80 -5.618 6.843 3.655 625 2HB SER 80 HB1 SER 80 -6.637 6.286 2.325 626 HG SER 80 HG SER 80 -5.571 4.439 2.250 627 H ASP 81 HN ASP 81 -4.032 8.896 3.327 628 HA ASP 81 HA ASP 81 -6.162 10.724 2.895 629 1HB ASP 81 HB2 ASP 81 -5.120 10.603 5.063 630 2HB ASP 81 HB1 ASP 81 -3.539 10.977 4.390 631 H THR 82 HN THR 82 -2.698 10.821 2.032 632 HA THR 82 HA THR 82 -3.137 13.273 0.537 633 HB THR 82 HB THR 82 -1.105 13.197 1.831 634 HG1 THR 82 HG1 THR 82 -0.882 14.372 -0.051 635 1HG2 THR 82 HG21 THR 82 -0.324 10.805 0.162 636 2HG2 THR 82 HG22 THR 82 -0.694 10.801 1.886 637 3HG2 THR 82 HG23 THR 82 0.732 11.650 1.293 638 H PHE 83 HN PHE 83 -2.095 9.944 -0.196 639 HA PHE 83 HA PHE 83 -1.563 10.571 -2.931 640 1HB PHE 83 HB2 PHE 83 -0.602 8.715 -1.317 641 2HB PHE 83 HB1 PHE 83 -1.896 7.763 -2.033 642 HD1 PHE 83 HD1 PHE 83 -1.163 6.375 -3.700 643 HD2 PHE 83 HD2 PHE 83 0.590 10.235 -3.320 644 HE1 PHE 83 HE1 PHE 83 0.236 5.936 -5.677 645 HE2 PHE 83 HE2 PHE 83 1.992 9.800 -5.293 646 HZ PHE 83 HZ PHE 83 1.816 7.648 -6.476 647 H LEU 84 HN LEU 84 -4.276 9.028 -1.253 648 HA LEU 84 HA LEU 84 -5.406 7.949 -3.621 649 1HB LEU 84 HB2 LEU 84 -6.454 8.410 -0.869 650 2HB LEU 84 HB1 LEU 84 -7.546 7.927 -2.156 651 HG LEU 84 HG LEU 84 -5.064 6.382 -1.401 652 1HD1 LEU 84 HD11 LEU 84 -7.933 5.934 -0.615 653 2HD1 LEU 84 HD12 LEU 84 -6.595 6.342 0.461 654 3HD1 LEU 84 HD13 LEU 84 -6.619 4.785 -0.370 655 1HD2 LEU 84 HD21 LEU 84 -6.122 4.604 -2.704 656 2HD2 LEU 84 HD22 LEU 84 -5.812 6.034 -3.688 657 3HD2 LEU 84 HD23 LEU 84 -7.445 5.693 -3.114 658 HA PRO 85 HA PRO 85 -8.029 12.046 -3.797 659 1HB PRO 85 HB2 PRO 85 -6.082 13.895 -2.557 660 2HB PRO 85 HB1 PRO 85 -7.844 13.866 -2.423 661 1HG PRO 85 HG2 PRO 85 -6.274 13.105 -0.396 662 2HG PRO 85 HG1 PRO 85 -7.819 12.301 -0.730 663 1HD PRO 85 HD2 PRO 85 -5.030 11.386 -1.338 664 2HD PRO 85 HD1 PRO 85 -6.438 10.452 -0.789 665 H ARG 86 HN ARG 86 -4.558 11.736 -3.838 666 HA ARG 86 HA ARG 86 -4.054 13.591 -5.944 667 1HB ARG 86 HB2 ARG 86 -2.394 12.763 -4.222 668 2HB ARG 86 HB1 ARG 86 -2.330 11.247 -5.108 669 1HG ARG 86 HG2 ARG 86 -1.454 12.384 -7.054 670 2HG ARG 86 HG1 ARG 86 -1.617 13.944 -6.243 671 1HD ARG 86 HD2 ARG 86 -0.096 13.002 -4.443 672 2HD ARG 86 HD1 ARG 86 0.230 11.674 -5.555 673 HE ARG 86 HE ARG 86 0.995 13.499 -7.137 674 1HH1 ARG 86 HH11 ARG 86 1.184 13.799 -3.647 675 2HH1 ARG 86 HH12 ARG 86 2.525 14.903 -3.680 676 1HH2 ARG 86 HH21 ARG 86 2.756 14.985 -7.181 677 2HH2 ARG 86 HH22 ARG 86 3.393 15.596 -5.682 678 H ASN 87 HN ASN 87 -4.714 10.132 -5.794 679 HA ASN 87 HA ASN 87 -5.528 10.258 -8.577 680 1HB ASN 87 HB2 ASN 87 -4.384 8.086 -9.120 681 2HB ASN 87 HB1 ASN 87 -3.302 9.455 -8.917 682 1HD2 ASN 87 HD21 ASN 87 -1.953 9.527 -7.110 683 2HD2 ASN 87 HD22 ASN 87 -1.615 8.121 -6.169 684 HA PRO 88 HA PRO 88 -8.542 8.091 -5.938 685 1HB PRO 88 HB2 PRO 88 -10.548 9.401 -7.582 686 2HB PRO 88 HB1 PRO 88 -10.223 9.607 -5.861 687 1HG PRO 88 HG2 PRO 88 -9.732 11.542 -7.704 688 2HG PRO 88 HG1 PRO 88 -8.787 11.363 -6.213 689 1HD PRO 88 HD2 PRO 88 -8.129 10.454 -8.996 690 2HD PRO 88 HD1 PRO 88 -7.082 11.242 -7.795 691 H SER 89 HN SER 89 -7.607 6.260 -7.270 692 HA SER 89 HA SER 89 -9.524 5.454 -9.368 693 1HB SER 89 HB2 SER 89 -7.152 6.024 -10.107 694 2HB SER 89 HB1 SER 89 -6.625 4.612 -9.199 695 HG SER 89 HG SER 89 -6.948 4.062 -11.357 696 H TRP 90 HN TRP 90 -8.976 4.945 -6.283 697 HA TRP 90 HA TRP 90 -9.147 2.008 -6.452 698 1HB TRP 90 HB2 TRP 90 -7.735 3.413 -4.196 699 2HB TRP 90 HB1 TRP 90 -7.616 1.728 -4.687 700 HD1 TRP 90 HD1 TRP 90 -5.895 4.977 -5.031 701 HE1 TRP 90 HE1 TRP 90 -3.996 4.842 -6.750 702 HE3 TRP 90 HE3 TRP 90 -7.076 0.485 -7.168 703 HZ2 TRP 90 HZ2 TRP 90 -3.113 3.057 -8.761 704 HZ3 TRP 90 HZ3 TRP 90 -5.654 -0.361 -8.989 705 HH2 TRP 90 HH2 TRP 90 -3.716 0.898 -9.769 706 H LYS 91 HN LYS 91 -10.967 4.479 -5.926 707 HA LYS 91 HA LYS 91 -11.880 4.339 -3.277 708 1HB LYS 91 HB2 LYS 91 -13.310 5.260 -5.771 709 2HB LYS 91 HB1 LYS 91 -13.938 5.463 -4.140 710 1HG LYS 91 HG2 LYS 91 -11.839 6.734 -3.601 711 2HG LYS 91 HG1 LYS 91 -11.461 6.689 -5.323 712 1HD LYS 91 HD2 LYS 91 -13.474 7.908 -5.848 713 2HD LYS 91 HD1 LYS 91 -14.001 7.835 -4.166 714 1HE LYS 91 HE2 LYS 91 -11.935 9.113 -3.559 715 2HE LYS 91 HE1 LYS 91 -11.629 9.323 -5.281 716 1HZ LYS 91 HZ1 LYS 91 -14.108 10.216 -3.912 717 2HZ LYS 91 HZ2 LYS 91 -13.650 10.555 -5.510 718 3HZ LYS 91 HZ3 LYS 91 -12.780 11.218 -4.216 719 HA PRO 92 HA PRO 92 -15.349 1.297 -5.052 720 1HB PRO 92 HB2 PRO 92 -13.606 -0.104 -7.009 721 2HB PRO 92 HB1 PRO 92 -15.337 0.248 -7.090 722 1HG PRO 92 HG2 PRO 92 -13.630 1.659 -8.535 723 2HG PRO 92 HG1 PRO 92 -14.988 2.459 -7.720 724 1HD PRO 92 HD2 PRO 92 -12.097 2.366 -6.942 725 2HD PRO 92 HD1 PRO 92 -13.241 3.723 -6.868 726 H LEU 93 HN LEU 93 -12.061 0.831 -4.290 727 HA LEU 93 HA LEU 93 -12.430 -1.965 -3.523 728 1HB LEU 93 HB2 LEU 93 -9.974 -0.266 -3.161 729 2HB LEU 93 HB1 LEU 93 -10.077 -2.017 -3.197 730 HG LEU 93 HG LEU 93 -10.676 -0.266 -5.571 731 1HD1 LEU 93 HD11 LEU 93 -8.448 -0.929 -6.381 732 2HD1 LEU 93 HD12 LEU 93 -8.127 -1.703 -4.828 733 3HD1 LEU 93 HD13 LEU 93 -8.360 0.043 -4.912 734 1HD2 LEU 93 HD21 LEU 93 -10.136 -3.224 -5.308 735 2HD2 LEU 93 HD22 LEU 93 -10.394 -2.354 -6.821 736 3HD2 LEU 93 HD23 LEU 93 -11.699 -2.476 -5.640 737 H ILE 94 HN ILE 94 -11.968 1.216 -2.163 738 HA ILE 94 HA ILE 94 -11.894 0.056 0.547 739 HB ILE 94 HB ILE 94 -10.517 1.963 1.212 740 1HG1 ILE 94 HG12 ILE 94 -10.601 2.724 -1.714 741 2HG1 ILE 94 HG11 ILE 94 -11.392 3.599 -0.403 742 1HG2 ILE 94 HG21 ILE 94 -9.423 -0.075 0.389 743 2HG2 ILE 94 HG22 ILE 94 -8.470 1.370 0.051 744 3HG2 ILE 94 HG23 ILE 94 -9.402 0.606 -1.238 745 1HD1 ILE 94 HD11 ILE 94 -9.225 4.073 0.585 746 2HD1 ILE 94 HD12 ILE 94 -9.328 4.672 -1.071 747 3HD1 ILE 94 HD13 ILE 94 -8.434 3.192 -0.721 748 H HIS 95 HN HIS 95 -12.027 2.526 1.880 749 HA HIS 95 HA HIS 95 -14.759 3.236 1.815 750 1HB HIS 95 HB2 HIS 95 -12.330 4.533 3.053 751 2HB HIS 95 HB1 HIS 95 -13.951 5.195 3.235 752 HD1 HIS 95 HD1 HIS 95 -11.961 3.848 5.472 753 HD2 HIS 95 HD2 HIS 95 -15.433 2.256 3.810 754 HE1 HIS 95 HE1 HIS 95 -12.835 2.201 7.158 755 HE2 HIS 95 HE2 HIS 95 -14.848 1.141 6.071 756 H SER 96 HN SER 96 -11.939 5.299 1.043 757 HA SER 96 HA SER 96 -12.737 5.935 -1.573 758 1HB SER 96 HB2 SER 96 -14.557 7.148 -0.289 759 2HB SER 96 HB1 SER 96 -13.299 8.165 0.409 760 HG SER 96 HG SER 96 -12.824 8.965 -1.616 761 H GLU 97 HN GLU 97 -11.484 8.092 0.989 762 HA GLU 97 HA GLU 97 -8.822 7.752 -0.160 763 1HB GLU 97 HB2 GLU 97 -10.176 10.210 0.942 764 2HB GLU 97 HB1 GLU 97 -8.420 10.089 0.868 765 1HG GLU 97 HG2 GLU 97 -8.628 10.976 -1.163 766 2HG GLU 97 HG1 GLU 97 -9.163 9.373 -1.663 767 H VAL 98 HN VAL 98 -8.634 9.659 2.533 768 HA VAL 98 HA VAL 98 -7.477 7.646 4.125 769 HB VAL 98 HB VAL 98 -6.692 9.865 4.412 770 1HG1 VAL 98 HG11 VAL 98 -8.054 11.703 5.241 771 2HG1 VAL 98 HG12 VAL 98 -9.473 10.657 5.260 772 3HG1 VAL 98 HG13 VAL 98 -8.704 11.071 3.728 773 1HG2 VAL 98 HG21 VAL 98 -6.653 8.496 6.419 774 2HG2 VAL 98 HG22 VAL 98 -8.260 9.074 6.858 775 3HG2 VAL 98 HG23 VAL 98 -6.899 10.194 6.826 776 H PHE 99 HN PHE 99 -10.606 9.362 4.508 777 HA PHE 99 HA PHE 99 -11.907 7.140 5.678 778 1HB PHE 99 HB2 PHE 99 -10.353 7.671 7.535 779 2HB PHE 99 HB1 PHE 99 -11.024 9.293 7.615 780 HD1 PHE 99 HD1 PHE 99 -12.046 5.722 7.852 781 HD2 PHE 99 HD2 PHE 99 -12.749 9.736 9.079 782 HE1 PHE 99 HE1 PHE 99 -13.742 4.932 9.451 783 HE2 PHE 99 HE2 PHE 99 -14.445 8.956 10.679 784 HZ PHE 99 HZ PHE 99 -14.944 6.550 10.866 785 H LYS 100 HN LYS 100 -11.802 10.284 4.530 786 HA LYS 100 HA LYS 100 -13.900 11.648 5.617 787 1HB LYS 100 HB2 LYS 100 -14.073 12.527 3.080 788 2HB LYS 100 HB1 LYS 100 -12.811 13.018 4.197 789 1HG LYS 100 HG2 LYS 100 -11.604 12.492 2.303 790 2HG LYS 100 HG1 LYS 100 -11.502 10.998 3.223 791 1HD LYS 100 HD2 LYS 100 -11.967 10.458 0.939 792 2HD LYS 100 HD1 LYS 100 -13.408 10.117 1.899 793 1HE LYS 100 HE2 LYS 100 -13.979 11.205 -0.197 794 2HE LYS 100 HE1 LYS 100 -14.400 12.227 1.176 795 1HZ LYS 100 HZ1 LYS 100 -12.064 12.526 -0.645 796 2HZ LYS 100 HZ2 LYS 100 -12.285 13.444 0.769 797 3HZ LYS 100 HZ3 LYS 100 -13.397 13.570 -0.504 798 H SER 101 HN SER 101 -14.118 9.290 2.985 799 HA SER 101 HA SER 101 -17.024 9.242 3.420 800 1HB SER 101 HB2 SER 101 -15.442 8.152 1.082 801 2HB SER 101 HB1 SER 101 -17.202 8.196 1.219 802 HG SER 101 HG SER 101 -16.451 10.660 1.614 803 H SER 102 HN SER 102 -17.836 7.466 4.438 804 HA SER 102 HA SER 102 -16.481 4.931 4.290 805 1HB SER 102 HB2 SER 102 -16.317 4.836 6.861 806 2HB SER 102 HB1 SER 102 -15.091 5.759 5.991 807 HG SER 102 HG SER 102 -15.816 7.548 6.858 808 H ILE 103 HN ILE 103 -18.863 6.753 6.222 809 HA ILE 103 HA ILE 103 -20.601 4.399 6.165 810 HB ILE 103 HB ILE 103 -22.014 5.799 7.779 811 1HG1 ILE 103 HG12 ILE 103 -19.423 7.355 8.010 812 2HG1 ILE 103 HG11 ILE 103 -20.885 7.967 7.242 813 1HG2 ILE 103 HG21 ILE 103 -19.251 4.890 8.575 814 2HG2 ILE 103 HG22 ILE 103 -20.708 3.899 8.499 815 3HG2 ILE 103 HG23 ILE 103 -20.584 5.191 9.691 816 1HD1 ILE 103 HD11 ILE 103 -22.067 7.763 9.387 817 2HD1 ILE 103 HD12 ILE 103 -20.673 8.838 9.484 818 3HD1 ILE 103 HD13 ILE 103 -20.572 7.204 10.139 Start of MODEL 18 1 1H MET 1 HT1 MET 1 19.714 8.967 -9.339 2 2H MET 1 HT2 MET 1 19.623 10.658 -9.423 3 3H MET 1 HT3 MET 1 19.005 9.714 -10.687 4 HA MET 1 HA MET 1 17.318 8.809 -9.261 5 1HB MET 1 HB2 MET 1 18.582 8.931 -7.162 6 2HB MET 1 HB1 MET 1 18.493 10.686 -7.198 7 1HG MET 1 HG2 MET 1 16.019 10.505 -7.079 8 2HG MET 1 HG1 MET 1 16.202 8.764 -6.876 9 1HE MET 1 HE1 MET 1 18.130 8.561 -3.458 10 2HE MET 1 HE2 MET 1 18.868 8.651 -5.057 11 3HE MET 1 HE3 MET 1 17.442 7.646 -4.799 12 H ALA 2 HN ALA 2 15.964 9.713 -10.721 13 HA ALA 2 HA ALA 2 15.312 12.565 -10.304 14 1HB ALA 2 HB1 ALA 2 15.043 10.979 -12.864 15 2HB ALA 2 HB2 ALA 2 16.272 12.198 -12.526 16 3HB ALA 2 HB3 ALA 2 14.575 12.665 -12.638 17 H THR 3 HN THR 3 13.908 9.598 -11.630 18 HA THR 3 HA THR 3 11.778 9.581 -9.700 19 HB THR 3 HB THR 3 11.005 9.785 -12.626 20 HG1 THR 3 HG1 THR 3 11.492 11.749 -10.780 21 1HG2 THR 3 HG21 THR 3 8.730 9.968 -11.730 22 2HG2 THR 3 HG22 THR 3 9.362 9.783 -10.093 23 3HG2 THR 3 HG23 THR 3 9.492 8.454 -11.244 24 H GLU 4 HN GLU 4 12.568 7.609 -9.133 25 HA GLU 4 HA GLU 4 13.327 5.709 -11.172 26 1HB GLU 4 HB2 GLU 4 13.330 5.232 -8.196 27 2HB GLU 4 HB1 GLU 4 14.336 4.476 -9.421 28 1HG GLU 4 HG2 GLU 4 14.510 7.329 -8.473 29 2HG GLU 4 HG1 GLU 4 15.636 6.025 -8.106 30 HA PRO 5 HA PRO 5 9.634 3.242 -10.408 31 1HB PRO 5 HB2 PRO 5 10.331 1.332 -12.308 32 2HB PRO 5 HB1 PRO 5 9.406 2.800 -12.627 33 1HG PRO 5 HG2 PRO 5 12.013 2.167 -13.565 34 2HG PRO 5 HG1 PRO 5 11.138 3.692 -13.769 35 1HD PRO 5 HD2 PRO 5 13.239 2.964 -11.799 36 2HD PRO 5 HD1 PRO 5 12.829 4.552 -12.486 37 HA PRO 6 HA PRO 6 12.427 0.699 -7.724 38 1HB PRO 6 HB2 PRO 6 10.052 0.843 -5.964 39 2HB PRO 6 HB1 PRO 6 11.746 1.195 -5.609 40 1HG PRO 6 HG2 PRO 6 10.003 3.189 -5.844 41 2HG PRO 6 HG1 PRO 6 11.630 3.334 -6.534 42 1HD PRO 6 HD2 PRO 6 9.052 2.643 -7.916 43 2HD PRO 6 HD1 PRO 6 10.308 3.812 -8.401 44 H LYS 7 HN LYS 7 11.870 -1.363 -6.418 45 HA LYS 7 HA LYS 7 10.141 -3.022 -8.117 46 1HB LYS 7 HB2 LYS 7 12.734 -3.086 -8.513 47 2HB LYS 7 HB1 LYS 7 12.751 -4.027 -7.028 48 1HG LYS 7 HG2 LYS 7 12.237 -5.851 -8.164 49 2HG LYS 7 HG1 LYS 7 10.743 -5.093 -8.728 50 1HD LYS 7 HD2 LYS 7 13.466 -4.861 -10.014 51 2HD LYS 7 HD1 LYS 7 12.096 -5.792 -10.625 52 1HE LYS 7 HE2 LYS 7 12.057 -2.808 -10.177 53 2HE LYS 7 HE1 LYS 7 12.427 -3.571 -11.730 54 1HZ LYS 7 HZ1 LYS 7 10.237 -4.587 -11.715 55 2HZ LYS 7 HZ2 LYS 7 10.111 -2.899 -11.585 56 3HZ LYS 7 HZ3 LYS 7 9.881 -3.874 -10.217 57 H ILE 8 HN ILE 8 8.562 -3.039 -6.493 58 HA ILE 8 HA ILE 8 9.413 -3.885 -3.858 59 HB ILE 8 HB ILE 8 6.738 -2.906 -4.847 60 1HG1 ILE 8 HG12 ILE 8 7.148 -1.220 -3.001 61 2HG1 ILE 8 HG11 ILE 8 8.772 -1.876 -2.856 62 1HG2 ILE 8 HG21 ILE 8 5.935 -3.185 -2.563 63 2HG2 ILE 8 HG22 ILE 8 7.470 -3.940 -2.123 64 3HG2 ILE 8 HG23 ILE 8 6.392 -4.734 -3.274 65 1HD1 ILE 8 HD11 ILE 8 9.246 -1.205 -5.138 66 2HD1 ILE 8 HD12 ILE 8 8.754 0.159 -4.132 67 3HD1 ILE 8 HD13 ILE 8 7.616 -0.545 -5.283 68 H VAL 9 HN VAL 9 9.323 -5.810 -3.147 69 HA VAL 9 HA VAL 9 8.316 -7.965 -4.847 70 HB VAL 9 HB VAL 9 10.005 -8.104 -2.338 71 1HG1 VAL 9 HG11 VAL 9 8.942 -10.214 -2.941 72 2HG1 VAL 9 HG12 VAL 9 10.690 -10.291 -3.156 73 3HG1 VAL 9 HG13 VAL 9 9.635 -10.107 -4.559 74 1HG2 VAL 9 HG21 VAL 9 11.943 -8.286 -3.830 75 2HG2 VAL 9 HG22 VAL 9 11.132 -6.725 -3.958 76 3HG2 VAL 9 HG23 VAL 9 10.892 -7.948 -5.207 77 H TRP 10 HN TRP 10 7.038 -9.681 -3.897 78 HA TRP 10 HA TRP 10 5.454 -8.755 -1.609 79 1HB TRP 10 HB2 TRP 10 4.138 -9.231 -3.570 80 2HB TRP 10 HB1 TRP 10 4.870 -10.824 -3.733 81 HD1 TRP 10 HD1 TRP 10 3.530 -9.462 -0.388 82 HE1 TRP 10 HE1 TRP 10 1.571 -10.950 0.359 83 HE3 TRP 10 HE3 TRP 10 3.127 -12.415 -4.542 84 HZ2 TRP 10 HZ2 TRP 10 0.054 -13.085 -0.675 85 HZ3 TRP 10 HZ3 TRP 10 1.392 -14.153 -4.585 86 HH2 TRP 10 HH2 TRP 10 -0.114 -14.482 -2.689 87 H ASN 11 HN ASN 11 6.084 -9.504 0.282 88 HA ASN 11 HA ASN 11 7.535 -12.045 0.403 89 1HB ASN 11 HB2 ASN 11 8.271 -9.783 1.527 90 2HB ASN 11 HB1 ASN 11 7.106 -10.240 2.765 91 1HD2 ASN 11 HD21 ASN 11 7.513 -12.063 4.036 92 2HD2 ASN 11 HD22 ASN 11 9.090 -12.766 4.146 93 H GLU 12 HN GLU 12 5.755 -13.347 0.053 94 HA GLU 12 HA GLU 12 3.257 -13.181 1.202 95 1HB GLU 12 HB2 GLU 12 3.479 -15.845 0.781 96 2HB GLU 12 HB1 GLU 12 3.118 -14.661 -0.467 97 1HG GLU 12 HG2 GLU 12 4.809 -16.114 -1.287 98 2HG GLU 12 HG1 GLU 12 5.548 -14.548 -0.978 99 H GLY 13 HN GLY 13 6.156 -14.612 2.554 100 1HA GLY 13 HA2 GLY 13 4.966 -16.152 4.582 101 2HA GLY 13 HA1 GLY 13 6.586 -15.473 4.639 102 H LYS 14 HN LYS 14 5.413 -12.730 4.306 103 HA LYS 14 HA LYS 14 4.614 -12.362 7.121 104 1HB LYS 14 HB2 LYS 14 5.808 -10.334 5.217 105 2HB LYS 14 HB1 LYS 14 5.463 -10.081 6.919 106 1HG LYS 14 HG2 LYS 14 7.440 -12.096 5.888 107 2HG LYS 14 HG1 LYS 14 7.859 -10.456 6.383 108 1HD LYS 14 HD2 LYS 14 7.005 -10.923 8.630 109 2HD LYS 14 HD1 LYS 14 6.599 -12.567 8.131 110 1HE LYS 14 HE2 LYS 14 8.719 -12.523 9.337 111 2HE LYS 14 HE1 LYS 14 8.953 -13.010 7.658 112 1HZ LYS 14 HZ1 LYS 14 9.423 -10.268 8.718 113 2HZ LYS 14 HZ2 LYS 14 9.722 -10.794 7.132 114 3HZ LYS 14 HZ3 LYS 14 10.631 -11.419 8.421 115 H ARG 15 HN ARG 15 3.379 -12.520 4.091 116 HA ARG 15 HA ARG 15 1.754 -11.531 2.849 117 1HB ARG 15 HB2 ARG 15 0.541 -11.001 5.571 118 2HB ARG 15 HB1 ARG 15 -0.317 -10.947 4.037 119 1HG ARG 15 HG2 ARG 15 0.261 -13.342 3.706 120 2HG ARG 15 HG1 ARG 15 0.941 -13.332 5.331 121 1HD ARG 15 HD2 ARG 15 -1.158 -12.943 6.323 122 2HD ARG 15 HD1 ARG 15 -1.893 -12.514 4.777 123 HE ARG 15 HE ARG 15 -1.368 -14.964 4.197 124 1HH1 ARG 15 HH11 ARG 15 -2.295 -13.827 7.386 125 2HH1 ARG 15 HH12 ARG 15 -2.993 -15.345 7.861 126 1HH2 ARG 15 HH21 ARG 15 -2.322 -16.928 4.795 127 2HH2 ARG 15 HH22 ARG 15 -3.048 -17.102 6.367 128 H ARG 16 HN ARG 16 3.714 -9.958 2.698 129 HA ARG 16 HA ARG 16 2.646 -7.289 2.971 130 1HB ARG 16 HB2 ARG 16 4.157 -6.442 4.487 131 2HB ARG 16 HB1 ARG 16 3.908 -8.057 5.121 132 1HG ARG 16 HG2 ARG 16 5.994 -8.809 4.189 133 2HG ARG 16 HG1 ARG 16 6.234 -7.246 3.392 134 1HD ARG 16 HD2 ARG 16 6.176 -6.176 5.644 135 2HD ARG 16 HD1 ARG 16 6.131 -7.785 6.358 136 HE ARG 16 HE ARG 16 8.352 -7.688 4.671 137 1HH1 ARG 16 HH11 ARG 16 7.200 -6.110 7.586 138 2HH1 ARG 16 HH12 ARG 16 8.805 -5.825 8.209 139 1HH2 ARG 16 HH21 ARG 16 10.439 -7.299 5.471 140 2HH2 ARG 16 HH22 ARG 16 10.652 -6.476 6.986 141 H PHE 17 HN PHE 17 3.939 -5.690 1.835 142 HA PHE 17 HA PHE 17 5.536 -6.928 -0.302 143 1HB PHE 17 HB2 PHE 17 4.306 -4.166 -0.241 144 2HB PHE 17 HB1 PHE 17 5.131 -4.909 -1.604 145 HD1 PHE 17 HD1 PHE 17 2.015 -4.310 -0.070 146 HD2 PHE 17 HD2 PHE 17 4.113 -7.128 -2.475 147 HE1 PHE 17 HE1 PHE 17 -0.127 -5.247 -0.846 148 HE2 PHE 17 HE2 PHE 17 1.977 -8.061 -3.257 149 HZ PHE 17 HZ PHE 17 -0.147 -7.121 -2.444 150 H GLU 18 HN GLU 18 7.573 -6.246 -0.726 151 HA GLU 18 HA GLU 18 8.820 -4.364 1.173 152 1HB GLU 18 HB2 GLU 18 9.249 -7.215 0.818 153 2HB GLU 18 HB1 GLU 18 10.731 -6.311 0.571 154 1HG GLU 18 HG2 GLU 18 10.608 -5.384 2.758 155 2HG GLU 18 HG1 GLU 18 8.986 -6.031 3.001 156 H THR 19 HN THR 19 9.875 -2.792 0.097 157 HA THR 19 HA THR 19 10.216 -2.825 -2.691 158 HB THR 19 HB THR 19 10.161 -0.760 -1.227 159 HG1 THR 19 HG1 THR 19 10.808 -0.376 -3.291 160 1HG2 THR 19 HG21 THR 19 12.309 0.020 -0.305 161 2HG2 THR 19 HG22 THR 19 13.018 -1.550 -0.688 162 3HG2 THR 19 HG23 THR 19 11.718 -1.438 0.496 163 H GLU 20 HN GLU 20 12.418 -2.589 -3.746 164 HA GLU 20 HA GLU 20 13.859 -4.971 -3.492 165 1HB GLU 20 HB2 GLU 20 15.478 -3.865 -5.050 166 2HB GLU 20 HB1 GLU 20 13.800 -3.783 -5.580 167 1HG GLU 20 HG2 GLU 20 13.630 -1.507 -4.751 168 2HG GLU 20 HG1 GLU 20 15.296 -1.582 -4.180 169 H ASP 21 HN ASP 21 13.889 -2.397 -1.502 170 HA ASP 21 HA ASP 21 16.711 -2.645 -0.764 171 1HB ASP 21 HB2 ASP 21 16.046 -0.397 -1.285 172 2HB ASP 21 HB1 ASP 21 14.641 -0.513 -0.238 173 H HIS 22 HN HIS 22 13.550 -3.418 0.173 174 HA HIS 22 HA HIS 22 12.688 -4.679 1.823 175 1HB HIS 22 HB2 HIS 22 15.582 -5.133 2.551 176 2HB HIS 22 HB1 HIS 22 14.229 -5.973 3.304 177 HD1 HIS 22 HD1 HIS 22 12.949 -7.711 1.861 178 HD2 HIS 22 HD2 HIS 22 16.270 -6.022 -0.002 179 HE1 HIS 22 HE1 HIS 22 13.425 -9.164 -0.145 180 HE2 HIS 22 HE2 HIS 22 15.558 -8.243 -1.125 181 H GLU 23 HN GLU 23 14.629 -1.989 2.591 182 HA GLU 23 HA GLU 23 13.981 -1.927 5.390 183 1HB GLU 23 HB2 GLU 23 15.020 0.299 3.627 184 2HB GLU 23 HB1 GLU 23 15.050 0.254 5.385 185 1HG GLU 23 HG2 GLU 23 16.565 -1.576 3.526 186 2HG GLU 23 HG1 GLU 23 17.235 -0.240 4.470 187 H ALA 24 HN ALA 24 12.546 -0.919 2.446 188 HA ALA 24 HA ALA 24 10.410 0.454 3.922 189 1HB ALA 24 HB1 ALA 24 9.738 1.466 1.831 190 2HB ALA 24 HB2 ALA 24 10.940 0.520 0.953 191 3HB ALA 24 HB3 ALA 24 11.459 1.762 2.093 192 H PHE 25 HN PHE 25 8.478 -0.505 4.070 193 HA PHE 25 HA PHE 25 7.701 -2.634 2.293 194 1HB PHE 25 HB2 PHE 25 7.457 -4.257 4.243 195 2HB PHE 25 HB1 PHE 25 9.086 -3.996 3.628 196 HD1 PHE 25 HD1 PHE 25 6.774 -3.331 6.397 197 HD2 PHE 25 HD2 PHE 25 10.765 -2.966 4.976 198 HE1 PHE 25 HE1 PHE 25 7.529 -2.764 8.666 199 HE2 PHE 25 HE2 PHE 25 11.527 -2.398 7.244 200 HZ PHE 25 HZ PHE 25 9.908 -2.298 9.094 201 H ILE 26 HN ILE 26 5.608 -3.498 2.799 202 HA ILE 26 HA ILE 26 3.984 -1.927 4.654 203 HB ILE 26 HB ILE 26 3.881 -1.631 1.851 204 1HG1 ILE 26 HG12 ILE 26 2.023 -0.804 4.077 205 2HG1 ILE 26 HG11 ILE 26 3.347 0.117 3.371 206 1HG2 ILE 26 HG21 ILE 26 1.436 -3.106 2.833 207 2HG2 ILE 26 HG22 ILE 26 2.592 -3.677 1.631 208 3HG2 ILE 26 HG23 ILE 26 1.578 -2.277 1.281 209 1HD1 ILE 26 HD11 ILE 26 1.202 0.959 2.625 210 2HD1 ILE 26 HD12 ILE 26 0.778 -0.635 1.996 211 3HD1 ILE 26 HD13 ILE 26 2.106 0.275 1.272 212 H GLU 27 HN GLU 27 2.610 -3.193 5.828 213 HA GLU 27 HA GLU 27 2.551 -6.061 5.210 214 1HB GLU 27 HB2 GLU 27 2.082 -4.434 7.671 215 2HB GLU 27 HB1 GLU 27 1.230 -5.965 7.522 216 1HG GLU 27 HG2 GLU 27 3.043 -6.784 8.534 217 2HG GLU 27 HG1 GLU 27 3.725 -6.754 6.913 218 H TYR 28 HN TYR 28 0.380 -7.199 5.510 219 HA TYR 28 HA TYR 28 -1.957 -5.539 5.599 220 1HB TYR 28 HB2 TYR 28 -2.852 -5.884 3.418 221 2HB TYR 28 HB1 TYR 28 -1.207 -5.319 3.183 222 HD1 TYR 28 HD1 TYR 28 -3.418 -8.271 3.004 223 HD2 TYR 28 HD2 TYR 28 0.425 -6.687 2.089 224 HE1 TYR 28 HE1 TYR 28 -2.968 -10.213 1.570 225 HE2 TYR 28 HE2 TYR 28 0.883 -8.630 0.651 226 HH TYR 28 HH TYR 28 -1.546 -10.843 -0.285 227 H LYS 29 HN LYS 29 -3.950 -6.831 5.198 228 HA LYS 29 HA LYS 29 -3.730 -9.656 5.855 229 1HB LYS 29 HB2 LYS 29 -5.444 -9.143 7.752 230 2HB LYS 29 HB1 LYS 29 -3.723 -8.905 8.050 231 1HG LYS 29 HG2 LYS 29 -4.105 -6.499 7.315 232 2HG LYS 29 HG1 LYS 29 -5.824 -6.850 7.486 233 1HD LYS 29 HD2 LYS 29 -4.633 -5.773 9.433 234 2HD LYS 29 HD1 LYS 29 -5.641 -7.176 9.795 235 1HE LYS 29 HE2 LYS 29 -3.632 -8.579 9.831 236 2HE LYS 29 HE1 LYS 29 -2.640 -7.174 9.445 237 1HZ LYS 29 HZ1 LYS 29 -4.292 -7.481 11.901 238 2HZ LYS 29 HZ2 LYS 29 -3.280 -6.171 11.533 239 3HZ LYS 29 HZ3 LYS 29 -2.615 -7.705 11.812 240 H MET 30 HN MET 30 -5.408 -10.805 4.972 241 HA MET 30 HA MET 30 -7.384 -9.210 3.497 242 1HB MET 30 HB2 MET 30 -6.629 -12.138 3.231 243 2HB MET 30 HB1 MET 30 -7.747 -11.266 2.191 244 1HG MET 30 HG2 MET 30 -5.993 -9.865 1.364 245 2HG MET 30 HG1 MET 30 -4.850 -10.543 2.521 246 1HE MET 30 HE1 MET 30 -6.625 -12.913 -1.027 247 2HE MET 30 HE2 MET 30 -6.987 -11.216 -0.708 248 3HE MET 30 HE3 MET 30 -7.566 -12.463 0.396 249 H ARG 31 HN ARG 31 -9.125 -8.824 4.633 250 HA ARG 31 HA ARG 31 -10.146 -10.665 6.639 251 1HB ARG 31 HB2 ARG 31 -11.045 -7.930 5.710 252 2HB ARG 31 HB1 ARG 31 -11.854 -8.847 6.970 253 1HG ARG 31 HG2 ARG 31 -9.975 -8.683 8.411 254 2HG ARG 31 HG1 ARG 31 -8.966 -8.024 7.119 255 1HD ARG 31 HD2 ARG 31 -10.262 -6.012 7.048 256 2HD ARG 31 HD1 ARG 31 -11.451 -6.672 8.166 257 HE ARG 31 HE ARG 31 -9.461 -6.722 9.787 258 1HH1 ARG 31 HH11 ARG 31 -10.001 -4.348 7.292 259 2HH1 ARG 31 HH12 ARG 31 -9.049 -3.116 8.058 260 1HH2 ARG 31 HH21 ARG 31 -8.255 -5.088 10.864 261 2HH2 ARG 31 HH22 ARG 31 -8.091 -3.520 10.117 262 H ASN 32 HN ASN 32 -12.530 -11.040 6.683 263 HA ASN 32 HA ASN 32 -14.467 -11.845 5.818 264 1HB ASN 32 HB2 ASN 32 -14.456 -9.394 5.047 265 2HB ASN 32 HB1 ASN 32 -14.013 -10.020 3.461 266 1HD2 ASN 32 HD21 ASN 32 -15.921 -9.241 2.556 267 2HD2 ASN 32 HD22 ASN 32 -17.448 -10.006 2.854 268 H ASN 33 HN ASN 33 -12.599 -13.625 5.411 269 HA ASN 33 HA ASN 33 -12.084 -15.504 4.235 270 1HB ASN 33 HB2 ASN 33 -14.558 -15.422 3.672 271 2HB ASN 33 HB1 ASN 33 -14.107 -14.644 2.160 272 1HD2 ASN 33 HD21 ASN 33 -14.903 -16.310 0.899 273 2HD2 ASN 33 HD22 ASN 33 -14.137 -17.864 0.813 274 H GLY 34 HN GLY 34 -11.101 -12.646 3.534 275 1HA GLY 34 HA2 GLY 34 -9.148 -12.123 2.353 276 2HA GLY 34 HA1 GLY 34 -9.394 -13.538 1.343 277 H LYS 35 HN LYS 35 -11.900 -11.193 2.002 278 HA LYS 35 HA LYS 35 -11.853 -10.429 -0.835 279 1HB LYS 35 HB2 LYS 35 -14.085 -10.210 1.193 280 2HB LYS 35 HB1 LYS 35 -14.196 -9.725 -0.495 281 1HG LYS 35 HG2 LYS 35 -13.741 -12.506 0.551 282 2HG LYS 35 HG1 LYS 35 -15.212 -11.885 -0.208 283 1HD LYS 35 HD2 LYS 35 -14.086 -11.593 -2.302 284 2HD LYS 35 HD1 LYS 35 -12.526 -11.963 -1.574 285 1HE LYS 35 HE2 LYS 35 -13.298 -14.251 -1.126 286 2HE LYS 35 HE1 LYS 35 -14.838 -13.871 -1.898 287 1HZ LYS 35 HZ1 LYS 35 -13.269 -15.016 -3.385 288 2HZ LYS 35 HZ2 LYS 35 -12.193 -13.713 -3.238 289 3HZ LYS 35 HZ3 LYS 35 -13.707 -13.479 -3.964 290 H VAL 36 HN VAL 36 -11.006 -9.287 2.182 291 HA VAL 36 HA VAL 36 -10.929 -6.535 1.140 292 HB VAL 36 HB VAL 36 -11.695 -7.423 3.920 293 1HG1 VAL 36 HG11 VAL 36 -11.669 -5.051 4.574 294 2HG1 VAL 36 HG12 VAL 36 -10.961 -4.635 3.013 295 3HG1 VAL 36 HG13 VAL 36 -10.057 -5.631 4.154 296 1HG2 VAL 36 HG21 VAL 36 -13.514 -7.286 2.314 297 2HG2 VAL 36 HG22 VAL 36 -13.046 -5.634 1.904 298 3HG2 VAL 36 HG23 VAL 36 -13.652 -6.005 3.519 299 H MET 37 HN MET 37 -8.910 -5.802 1.018 300 HA MET 37 HA MET 37 -6.855 -7.122 2.643 301 1HB MET 37 HB2 MET 37 -6.760 -5.583 0.055 302 2HB MET 37 HB1 MET 37 -5.305 -5.814 1.018 303 1HG MET 37 HG2 MET 37 -5.624 -8.249 0.868 304 2HG MET 37 HG1 MET 37 -7.033 -7.982 -0.157 305 1HE MET 37 HE1 MET 37 -3.145 -7.318 0.163 306 2HE MET 37 HE2 MET 37 -3.828 -5.748 -0.258 307 3HE MET 37 HE3 MET 37 -2.807 -6.603 -1.414 308 H ASP 38 HN ASP 38 -6.514 -6.172 4.475 309 HA ASP 38 HA ASP 38 -6.729 -3.292 4.722 310 1HB ASP 38 HB2 ASP 38 -7.591 -4.857 6.468 311 2HB ASP 38 HB1 ASP 38 -5.931 -5.341 6.791 312 H LEU 39 HN LEU 39 -5.100 -2.172 4.011 313 HA LEU 39 HA LEU 39 -2.421 -3.229 3.880 314 1HB LEU 39 HB2 LEU 39 -3.681 -0.592 3.132 315 2HB LEU 39 HB1 LEU 39 -1.944 -0.817 3.086 316 HG LEU 39 HG LEU 39 -2.065 -2.337 1.306 317 1HD1 LEU 39 HD11 LEU 39 -4.139 -3.232 0.388 318 2HD1 LEU 39 HD12 LEU 39 -5.050 -2.440 1.674 319 3HD1 LEU 39 HD13 LEU 39 -3.908 -3.726 2.067 320 1HD2 LEU 39 HD21 LEU 39 -2.402 -0.008 0.685 321 2HD2 LEU 39 HD22 LEU 39 -4.148 -0.217 0.833 322 3HD2 LEU 39 HD23 LEU 39 -3.257 -1.094 -0.412 323 H VAL 40 HN VAL 40 -1.229 -3.292 5.669 324 HA VAL 40 HA VAL 40 -1.769 -1.278 7.751 325 HB VAL 40 HB VAL 40 -0.394 -3.929 8.188 326 1HG1 VAL 40 HG11 VAL 40 -0.074 -2.262 9.919 327 2HG1 VAL 40 HG12 VAL 40 -1.080 -3.585 10.510 328 3HG1 VAL 40 HG13 VAL 40 -1.819 -2.047 10.060 329 1HG2 VAL 40 HG21 VAL 40 -3.341 -3.368 8.446 330 2HG2 VAL 40 HG22 VAL 40 -2.522 -4.836 8.979 331 3HG2 VAL 40 HG23 VAL 40 -2.578 -4.430 7.264 332 H HIS 41 HN HIS 41 -0.170 0.227 7.881 333 HA HIS 41 HA HIS 41 1.870 0.980 8.548 334 1HB HIS 41 HB2 HIS 41 2.148 -1.024 9.855 335 2HB HIS 41 HB1 HIS 41 2.573 -1.949 8.431 336 HD1 HIS 41 HD1 HIS 41 4.766 -2.723 9.406 337 HD2 HIS 41 HD2 HIS 41 4.481 1.421 9.089 338 HE1 HIS 41 HE1 HIS 41 7.041 -1.835 9.994 339 HE2 HIS 41 HE2 HIS 41 6.754 0.662 10.080 340 H THR 42 HN THR 42 2.340 2.243 6.878 341 HA THR 42 HA THR 42 3.906 1.135 4.666 342 HB THR 42 HB THR 42 2.349 2.735 3.845 343 HG1 THR 42 HG1 THR 42 4.425 4.557 4.089 344 1HG2 THR 42 HG21 THR 42 3.241 4.565 6.079 345 2HG2 THR 42 HG22 THR 42 1.683 3.744 5.961 346 3HG2 THR 42 HG23 THR 42 2.108 5.002 4.799 347 H TYR 43 HN TYR 43 6.036 0.918 5.061 348 HA TYR 43 HA TYR 43 7.296 3.050 6.653 349 1HB TYR 43 HB2 TYR 43 7.170 0.480 7.472 350 2HB TYR 43 HB1 TYR 43 8.674 0.437 6.550 351 HD1 TYR 43 HD1 TYR 43 7.178 3.112 8.706 352 HD2 TYR 43 HD2 TYR 43 10.409 0.429 8.043 353 HE1 TYR 43 HE1 TYR 43 8.389 4.103 10.605 354 HE2 TYR 43 HE2 TYR 43 11.630 1.405 9.927 355 HH TYR 43 HH TYR 43 10.155 3.476 12.192 356 H VAL 44 HN VAL 44 9.011 4.022 5.845 357 HA VAL 44 HA VAL 44 10.492 2.930 3.607 358 HB VAL 44 HB VAL 44 8.598 3.895 2.424 359 1HG1 VAL 44 HG11 VAL 44 9.283 6.479 3.827 360 2HG1 VAL 44 HG12 VAL 44 7.846 5.493 4.099 361 3HG1 VAL 44 HG13 VAL 44 8.086 6.292 2.545 362 1HG2 VAL 44 HG21 VAL 44 9.774 5.495 0.976 363 2HG2 VAL 44 HG22 VAL 44 10.760 4.080 1.350 364 3HG2 VAL 44 HG23 VAL 44 11.065 5.610 2.172 365 HA PRO 45 HA PRO 45 13.604 5.288 5.826 366 1HB PRO 45 HB2 PRO 45 15.173 4.862 3.355 367 2HB PRO 45 HB1 PRO 45 15.555 4.427 5.025 368 1HG PRO 45 HG2 PRO 45 14.866 2.563 3.238 369 2HG PRO 45 HG1 PRO 45 14.350 2.456 4.931 370 1HD PRO 45 HD2 PRO 45 12.795 3.322 2.526 371 2HD PRO 45 HD1 PRO 45 12.281 2.324 3.904 372 H SER 46 HN SER 46 14.912 7.218 5.469 373 HA SER 46 HA SER 46 13.459 9.370 4.602 374 1HB SER 46 HB2 SER 46 16.468 9.360 4.556 375 2HB SER 46 HB1 SER 46 15.381 10.670 5.019 376 HG SER 46 HG SER 46 16.506 9.331 6.726 377 H PHE 47 HN PHE 47 15.831 7.519 2.785 378 HA PHE 47 HA PHE 47 16.341 9.201 0.659 379 1HB PHE 47 HB2 PHE 47 16.137 6.188 0.669 380 2HB PHE 47 HB1 PHE 47 16.864 7.136 -0.624 381 HD1 PHE 47 HD1 PHE 47 17.339 5.643 2.609 382 HD2 PHE 47 HD2 PHE 47 18.917 8.472 -0.148 383 HE1 PHE 47 HE1 PHE 47 19.494 5.593 3.798 384 HE2 PHE 47 HE2 PHE 47 21.074 8.425 1.029 385 HZ PHE 47 HZ PHE 47 21.381 6.928 2.972 386 H LYS 48 HN LYS 48 13.527 7.170 1.201 387 HA LYS 48 HA LYS 48 12.593 7.881 -1.498 388 1HB LYS 48 HB2 LYS 48 12.340 5.283 -0.001 389 2HB LYS 48 HB1 LYS 48 11.363 5.662 -1.416 390 1HG LYS 48 HG2 LYS 48 13.192 5.636 -2.844 391 2HG LYS 48 HG1 LYS 48 14.343 5.873 -1.532 392 1HD LYS 48 HD2 LYS 48 12.721 3.373 -1.992 393 2HD LYS 48 HD1 LYS 48 14.411 3.590 -2.452 394 1HE LYS 48 HE2 LYS 48 14.693 4.227 0.078 395 2HE LYS 48 HE1 LYS 48 13.197 3.309 0.257 396 1HZ LYS 48 HZ1 LYS 48 15.173 1.935 0.582 397 2HZ LYS 48 HZ2 LYS 48 15.685 2.284 -0.999 398 3HZ LYS 48 HZ3 LYS 48 14.257 1.413 -0.743 399 H ARG 49 HN ARG 49 12.096 8.712 1.522 400 HA ARG 49 HA ARG 49 9.324 8.443 1.958 401 1HB ARG 49 HB2 ARG 49 11.321 10.517 2.863 402 2HB ARG 49 HB1 ARG 49 9.629 10.583 3.331 403 1HG ARG 49 HG2 ARG 49 9.834 8.409 4.414 404 2HG ARG 49 HG1 ARG 49 11.529 8.321 3.923 405 1HD ARG 49 HD2 ARG 49 11.194 9.065 6.278 406 2HD ARG 49 HD1 ARG 49 12.083 10.216 5.281 407 HE ARG 49 HE ARG 49 9.224 10.675 5.448 408 1HH1 ARG 49 HH11 ARG 49 12.357 11.367 6.867 409 2HH1 ARG 49 HH12 ARG 49 11.858 12.887 7.536 410 1HH2 ARG 49 HH21 ARG 49 8.568 12.674 6.343 411 2HH2 ARG 49 HH22 ARG 49 9.717 13.643 7.222 412 H GLY 50 HN GLY 50 11.216 11.053 0.481 413 1HA GLY 50 HA2 GLY 50 8.810 12.419 -0.388 414 2HA GLY 50 HA1 GLY 50 10.467 12.947 -0.648 415 H LEU 51 HN LEU 51 10.452 9.805 -1.533 416 HA LEU 51 HA LEU 51 10.458 10.550 -4.328 417 1HB LEU 51 HB2 LEU 51 11.265 8.108 -2.807 418 2HB LEU 51 HB1 LEU 51 11.001 7.999 -4.536 419 HG LEU 51 HG LEU 51 13.027 9.737 -3.118 420 1HD1 LEU 51 HD11 LEU 51 13.659 7.397 -3.261 421 2HD1 LEU 51 HD12 LEU 51 14.651 8.375 -4.343 422 3HD1 LEU 51 HD13 LEU 51 13.336 7.399 -4.995 423 1HD2 LEU 51 HD21 LEU 51 12.117 10.949 -5.012 424 2HD2 LEU 51 HD22 LEU 51 12.378 9.552 -6.058 425 3HD2 LEU 51 HD23 LEU 51 13.758 10.405 -5.367 426 H GLY 52 HN GLY 52 8.208 9.190 -2.135 427 1HA GLY 52 HA2 GLY 52 5.926 8.919 -2.936 428 2HA GLY 52 HA1 GLY 52 6.599 8.354 -4.458 429 H LEU 53 HN LEU 53 8.600 6.843 -2.642 430 HA LEU 53 HA LEU 53 7.674 4.379 -3.426 431 1HB LEU 53 HB2 LEU 53 10.000 5.090 -2.763 432 2HB LEU 53 HB1 LEU 53 9.511 4.874 -1.096 433 HG LEU 53 HG LEU 53 10.833 2.988 -2.262 434 1HD1 LEU 53 HD11 LEU 53 8.274 2.401 -0.796 435 2HD1 LEU 53 HD12 LEU 53 9.846 2.740 -0.072 436 3HD1 LEU 53 HD13 LEU 53 9.608 1.269 -1.018 437 1HD2 LEU 53 HD21 LEU 53 8.076 2.494 -3.367 438 2HD2 LEU 53 HD22 LEU 53 9.423 1.355 -3.428 439 3HD2 LEU 53 HD23 LEU 53 9.524 2.888 -4.295 440 H ALA 54 HN ALA 54 7.258 5.905 -0.243 441 HA ALA 54 HA ALA 54 6.145 3.860 1.207 442 1HB ALA 54 HB1 ALA 54 5.213 6.727 1.178 443 2HB ALA 54 HB2 ALA 54 6.582 6.099 2.095 444 3HB ALA 54 HB3 ALA 54 4.946 5.558 2.472 445 H SER 55 HN SER 55 4.397 6.092 -0.927 446 HA SER 55 HA SER 55 1.899 4.767 -0.702 447 1HB SER 55 HB2 SER 55 1.175 6.144 -2.579 448 2HB SER 55 HB1 SER 55 2.092 7.124 -1.435 449 HG SER 55 HG SER 55 3.930 6.773 -2.851 450 H HIS 56 HN HIS 56 4.674 4.340 -2.802 451 HA HIS 56 HA HIS 56 3.407 2.827 -4.818 452 1HB HIS 56 HB2 HIS 56 6.263 2.973 -3.872 453 2HB HIS 56 HB1 HIS 56 5.777 1.835 -5.123 454 HD1 HIS 56 HD1 HIS 56 6.516 2.755 -7.292 455 HD2 HIS 56 HD2 HIS 56 4.961 5.713 -4.804 456 HE1 HIS 56 HE1 HIS 56 6.576 4.884 -8.636 457 HE2 HIS 56 HE2 HIS 56 5.681 6.672 -7.102 458 H LEU 57 HN LEU 57 4.615 2.025 -1.650 459 HA LEU 57 HA LEU 57 4.294 -0.786 -1.835 460 1HB LEU 57 HB2 LEU 57 4.106 1.031 0.578 461 2HB LEU 57 HB1 LEU 57 4.261 -0.714 0.629 462 HG LEU 57 HG LEU 57 6.339 1.076 -0.617 463 1HD1 LEU 57 HD11 LEU 57 6.082 1.631 1.752 464 2HD1 LEU 57 HD12 LEU 57 7.610 0.806 1.442 465 3HD1 LEU 57 HD13 LEU 57 6.264 -0.073 2.168 466 1HD2 LEU 57 HD21 LEU 57 7.765 -0.883 -0.363 467 2HD2 LEU 57 HD22 LEU 57 6.349 -1.259 -1.344 468 3HD2 LEU 57 HD23 LEU 57 6.420 -1.782 0.339 469 H CYS 58 HN CYS 58 2.183 1.830 -0.681 470 HA CYS 58 HA CYS 58 -0.053 0.220 -0.100 471 1HB CYS 58 HB2 CYS 58 0.175 2.515 0.723 472 2HB CYS 58 HB1 CYS 58 0.037 3.148 -0.919 473 HG CYS 58 HG CYS 58 -2.605 1.514 -0.823 474 H VAL 59 HN VAL 59 0.928 1.882 -3.054 475 HA VAL 59 HA VAL 59 -1.371 1.220 -4.566 476 HB VAL 59 HB VAL 59 1.427 1.956 -5.434 477 1HG1 VAL 59 HG11 VAL 59 -1.058 1.714 -7.134 478 2HG1 VAL 59 HG12 VAL 59 0.359 0.667 -7.213 479 3HG1 VAL 59 HG13 VAL 59 0.493 2.367 -7.662 480 1HG2 VAL 59 HG21 VAL 59 -1.136 3.543 -5.350 481 2HG2 VAL 59 HG22 VAL 59 0.417 4.124 -5.948 482 3HG2 VAL 59 HG23 VAL 59 0.227 3.708 -4.244 483 H ALA 60 HN ALA 60 1.670 -0.443 -3.952 484 HA ALA 60 HA ALA 60 1.413 -2.501 -5.837 485 1HB ALA 60 HB1 ALA 60 3.463 -2.108 -4.555 486 2HB ALA 60 HB2 ALA 60 2.923 -3.781 -4.414 487 3HB ALA 60 HB3 ALA 60 2.648 -2.650 -3.088 488 H ALA 61 HN ALA 61 0.015 -2.095 -2.604 489 HA ALA 61 HA ALA 61 -1.212 -4.665 -2.571 490 1HB ALA 61 HB1 ALA 61 -1.929 -2.183 -1.027 491 2HB ALA 61 HB2 ALA 61 -0.752 -3.398 -0.530 492 3HB ALA 61 HB3 ALA 61 -2.458 -3.825 -0.667 493 H PHE 62 HN PHE 62 -2.223 -1.417 -3.559 494 HA PHE 62 HA PHE 62 -4.881 -1.954 -4.204 495 1HB PHE 62 HB2 PHE 62 -2.883 -0.052 -5.414 496 2HB PHE 62 HB1 PHE 62 -4.526 -0.179 -6.029 497 HD1 PHE 62 HD1 PHE 62 -6.169 -0.350 -3.662 498 HD2 PHE 62 HD2 PHE 62 -2.649 1.953 -4.330 499 HE1 PHE 62 HE1 PHE 62 -6.896 1.245 -1.918 500 HE2 PHE 62 HE2 PHE 62 -3.378 3.558 -2.606 501 HZ PHE 62 HZ PHE 62 -5.584 3.277 -1.514 502 H GLU 63 HN GLU 63 -2.011 -2.120 -6.273 503 HA GLU 63 HA GLU 63 -3.172 -3.066 -8.603 504 1HB GLU 63 HB2 GLU 63 -0.438 -3.582 -7.430 505 2HB GLU 63 HB1 GLU 63 -0.896 -4.063 -9.057 506 1HG GLU 63 HG2 GLU 63 -1.042 -1.228 -8.077 507 2HG GLU 63 HG1 GLU 63 0.379 -1.917 -8.863 508 H HIS 64 HN HIS 64 -2.230 -4.803 -5.717 509 HA HIS 64 HA HIS 64 -2.445 -7.413 -6.856 510 1HB HIS 64 HB2 HIS 64 -1.085 -6.902 -4.845 511 2HB HIS 64 HB1 HIS 64 -2.564 -6.575 -3.951 512 HD1 HIS 64 HD1 HIS 64 -3.749 -8.542 -2.922 513 HD2 HIS 64 HD2 HIS 64 -0.771 -9.674 -5.593 514 HE1 HIS 64 HE1 HIS 64 -3.530 -11.034 -2.674 515 HE2 HIS 64 HE2 HIS 64 -1.871 -11.718 -4.448 516 H ALA 65 HN ALA 65 -4.541 -5.461 -4.757 517 HA ALA 65 HA ALA 65 -6.553 -7.465 -4.581 518 1HB ALA 65 HB1 ALA 65 -7.891 -5.769 -3.491 519 2HB ALA 65 HB2 ALA 65 -6.751 -4.523 -4.001 520 3HB ALA 65 HB3 ALA 65 -6.246 -5.765 -2.855 521 H SER 66 HN SER 66 -6.376 -4.374 -6.372 522 HA SER 66 HA SER 66 -8.846 -4.471 -7.601 523 1HB SER 66 HB2 SER 66 -7.794 -3.106 -9.435 524 2HB SER 66 HB1 SER 66 -7.469 -2.512 -7.806 525 HG SER 66 HG SER 66 -5.415 -3.233 -7.927 526 H SER 67 HN SER 67 -5.849 -6.024 -8.724 527 HA SER 67 HA SER 67 -6.928 -6.962 -11.168 528 1HB SER 67 HB2 SER 67 -4.579 -8.048 -9.603 529 2HB SER 67 HB1 SER 67 -4.915 -8.337 -11.311 530 HG SER 67 HG SER 67 -3.852 -6.111 -10.047 531 H HIS 68 HN HIS 68 -6.955 -8.233 -7.912 532 HA HIS 68 HA HIS 68 -7.983 -10.807 -8.872 533 1HB HIS 68 HB2 HIS 68 -6.128 -10.653 -7.136 534 2HB HIS 68 HB1 HIS 68 -7.341 -10.042 -6.022 535 HD1 HIS 68 HD1 HIS 68 -6.255 -13.171 -7.774 536 HD2 HIS 68 HD2 HIS 68 -9.089 -11.961 -4.985 537 HE1 HIS 68 HE1 HIS 68 -7.197 -15.287 -6.798 538 HE2 HIS 68 HE2 HIS 68 -9.060 -14.525 -5.284 539 H SER 69 HN SER 69 -9.259 -7.938 -8.363 540 HA SER 69 HA SER 69 -11.321 -7.101 -7.917 541 1HB SER 69 HB2 SER 69 -12.184 -10.006 -7.947 542 2HB SER 69 HB1 SER 69 -13.252 -8.608 -8.070 543 HG SER 69 HG SER 69 -11.283 -8.440 -9.906 544 H ILE 70 HN ILE 70 -9.695 -7.216 -5.785 545 HA ILE 70 HA ILE 70 -11.321 -8.239 -3.558 546 HB ILE 70 HB ILE 70 -8.418 -7.388 -3.495 547 1HG1 ILE 70 HG12 ILE 70 -9.571 -10.179 -3.615 548 2HG1 ILE 70 HG11 ILE 70 -8.738 -9.365 -4.936 549 1HG2 ILE 70 HG21 ILE 70 -9.512 -7.248 -1.328 550 2HG2 ILE 70 HG22 ILE 70 -8.348 -8.572 -1.354 551 3HG2 ILE 70 HG23 ILE 70 -10.073 -8.912 -1.490 552 1HD1 ILE 70 HD11 ILE 70 -7.289 -10.957 -3.796 553 2HD1 ILE 70 HD12 ILE 70 -7.526 -10.094 -2.276 554 3HD1 ILE 70 HD13 ILE 70 -6.693 -9.305 -3.615 555 H SER 71 HN SER 71 -11.719 -6.870 -1.752 556 HA SER 71 HA SER 71 -11.705 -4.015 -2.364 557 1HB SER 71 HB2 SER 71 -13.752 -5.202 -1.451 558 2HB SER 71 HB1 SER 71 -12.865 -5.444 0.051 559 HG SER 71 HG SER 71 -12.871 -2.839 -0.841 560 H ILE 72 HN ILE 72 -10.968 -2.531 -0.508 561 HA ILE 72 HA ILE 72 -8.695 -3.714 0.938 562 HB ILE 72 HB ILE 72 -8.544 -1.377 -0.991 563 1HG1 ILE 72 HG12 ILE 72 -7.207 -4.073 -0.873 564 2HG1 ILE 72 HG11 ILE 72 -8.231 -3.421 -2.151 565 1HG2 ILE 72 HG21 ILE 72 -6.192 -1.117 -0.318 566 2HG2 ILE 72 HG22 ILE 72 -6.475 -2.243 1.011 567 3HG2 ILE 72 HG23 ILE 72 -7.333 -0.701 0.961 568 1HD1 ILE 72 HD11 ILE 72 -6.510 -1.797 -2.718 569 2HD1 ILE 72 HD12 ILE 72 -5.900 -3.449 -2.819 570 3HD1 ILE 72 HD13 ILE 72 -5.477 -2.435 -1.437 571 H ILE 73 HN ILE 73 -8.060 -2.607 2.765 572 HA ILE 73 HA ILE 73 -9.408 -0.084 3.492 573 HB ILE 73 HB ILE 73 -9.028 -2.526 5.254 574 1HG1 ILE 73 HG12 ILE 73 -11.089 -2.469 3.880 575 2HG1 ILE 73 HG11 ILE 73 -11.419 -2.421 5.608 576 1HG2 ILE 73 HG21 ILE 73 -8.300 -0.597 6.503 577 2HG2 ILE 73 HG22 ILE 73 -9.865 -1.144 7.116 578 3HG2 ILE 73 HG23 ILE 73 -9.778 0.275 6.074 579 1HD1 ILE 73 HD11 ILE 73 -11.462 -0.060 3.746 580 2HD1 ILE 73 HD12 ILE 73 -11.831 -0.032 5.470 581 3HD1 ILE 73 HD13 ILE 73 -12.871 -0.925 4.361 582 HA PRO 74 HA PRO 74 -4.986 0.418 4.050 583 1HB PRO 74 HB2 PRO 74 -5.119 3.184 3.631 584 2HB PRO 74 HB1 PRO 74 -4.838 1.948 2.405 585 1HG PRO 74 HG2 PRO 74 -7.101 3.620 2.631 586 2HG PRO 74 HG1 PRO 74 -6.913 2.227 1.556 587 1HD PRO 74 HD2 PRO 74 -8.294 2.420 4.186 588 2HD PRO 74 HD1 PRO 74 -8.664 1.391 2.784 589 H SER 75 HN SER 75 -4.658 0.055 6.245 590 HA SER 75 HA SER 75 -5.095 2.126 8.200 591 1HB SER 75 HB2 SER 75 -4.867 -0.298 8.809 592 2HB SER 75 HB1 SER 75 -3.177 -0.226 8.312 593 HG SER 75 HG SER 75 -4.449 1.024 10.493 594 H CYS 76 HN CYS 76 -2.744 1.252 5.864 595 HA CYS 76 HA CYS 76 -0.695 3.087 6.428 596 1HB CYS 76 HB2 CYS 76 -1.566 2.245 3.663 597 2HB CYS 76 HB1 CYS 76 0.018 2.804 4.172 598 HG CYS 76 HG CYS 76 0.942 0.448 4.467 599 H SER 77 HN SER 77 -3.570 4.019 6.562 600 HA SER 77 HA SER 77 -4.461 5.565 4.507 601 1HB SER 77 HB2 SER 77 -5.753 6.775 6.306 602 2HB SER 77 HB1 SER 77 -5.877 5.015 6.335 603 HG SER 77 HG SER 77 -5.409 5.450 8.395 604 H TYR 78 HN TYR 78 -1.670 6.384 6.386 605 HA TYR 78 HA TYR 78 -1.586 9.144 5.945 606 1HB TYR 78 HB2 TYR 78 0.423 8.621 6.885 607 2HB TYR 78 HB1 TYR 78 0.384 6.981 6.250 608 HD1 TYR 78 HD1 TYR 78 1.284 10.479 5.444 609 HD2 TYR 78 HD2 TYR 78 1.650 6.394 4.308 610 HE1 TYR 78 HE1 TYR 78 3.055 11.098 3.856 611 HE2 TYR 78 HE2 TYR 78 3.418 6.997 2.711 612 HH TYR 78 HH TYR 78 4.143 8.992 1.430 613 H VAL 79 HN VAL 79 -0.856 6.434 3.818 614 HA VAL 79 HA VAL 79 -0.479 7.896 1.420 615 HB VAL 79 HB VAL 79 -1.419 5.045 1.836 616 1HG1 VAL 79 HG11 VAL 79 -1.996 5.863 -0.386 617 2HG1 VAL 79 HG12 VAL 79 -0.715 4.655 -0.469 618 3HG1 VAL 79 HG13 VAL 79 -0.325 6.365 -0.646 619 1HG2 VAL 79 HG21 VAL 79 0.904 4.429 1.370 620 2HG2 VAL 79 HG22 VAL 79 0.768 5.436 2.812 621 3HG2 VAL 79 HG23 VAL 79 1.340 6.137 1.297 622 H SER 80 HN SER 80 -3.225 6.177 2.809 623 HA SER 80 HA SER 80 -5.008 6.458 0.690 624 1HB SER 80 HB2 SER 80 -5.324 4.944 2.618 625 2HB SER 80 HB1 SER 80 -5.652 6.338 3.643 626 HG SER 80 HG SER 80 -7.204 6.317 1.409 627 H ASP 81 HN ASP 81 -4.356 8.637 3.366 628 HA ASP 81 HA ASP 81 -6.636 10.299 2.885 629 1HB ASP 81 HB2 ASP 81 -5.852 10.258 5.114 630 2HB ASP 81 HB1 ASP 81 -4.184 10.538 4.632 631 H THR 82 HN THR 82 -3.118 10.671 2.207 632 HA THR 82 HA THR 82 -3.682 13.189 0.870 633 HB THR 82 HB THR 82 -1.710 13.115 2.297 634 HG1 THR 82 HG1 THR 82 -1.395 14.591 0.738 635 1HG2 THR 82 HG21 THR 82 -0.638 11.080 0.350 636 2HG2 THR 82 HG22 THR 82 -1.047 10.797 2.042 637 3HG2 THR 82 HG23 THR 82 0.295 11.863 1.626 638 H PHE 83 HN PHE 83 -2.402 9.994 -0.034 639 HA PHE 83 HA PHE 83 -1.855 10.790 -2.720 640 1HB PHE 83 HB2 PHE 83 -1.895 8.090 -1.403 641 2HB PHE 83 HB1 PHE 83 -1.396 8.376 -3.065 642 HD1 PHE 83 HD1 PHE 83 -0.009 7.657 -0.098 643 HD2 PHE 83 HD2 PHE 83 0.173 10.731 -3.044 644 HE1 PHE 83 HE1 PHE 83 2.233 8.295 0.697 645 HE2 PHE 83 HE2 PHE 83 2.423 11.351 -2.266 646 HZ PHE 83 HZ PHE 83 3.454 10.138 -0.391 647 H LEU 84 HN LEU 84 -4.576 9.194 -1.194 648 HA LEU 84 HA LEU 84 -5.614 8.238 -3.669 649 1HB LEU 84 HB2 LEU 84 -6.648 8.397 -0.895 650 2HB LEU 84 HB1 LEU 84 -7.760 8.047 -2.206 651 HG LEU 84 HG LEU 84 -5.234 6.489 -1.658 652 1HD1 LEU 84 HD11 LEU 84 -6.806 6.168 0.147 653 2HD1 LEU 84 HD12 LEU 84 -6.707 4.721 -0.856 654 3HD1 LEU 84 HD13 LEU 84 -8.087 5.809 -1.010 655 1HD2 LEU 84 HD21 LEU 84 -6.159 4.883 -3.231 656 2HD2 LEU 84 HD22 LEU 84 -5.956 6.461 -3.992 657 3HD2 LEU 84 HD23 LEU 84 -7.558 5.925 -3.490 658 HA PRO 85 HA PRO 85 -8.202 12.369 -3.678 659 1HB PRO 85 HB2 PRO 85 -6.121 14.073 -2.447 660 2HB PRO 85 HB1 PRO 85 -7.877 14.174 -2.308 661 1HG PRO 85 HG2 PRO 85 -6.359 13.290 -0.295 662 2HG PRO 85 HG1 PRO 85 -7.963 12.615 -0.622 663 1HD PRO 85 HD2 PRO 85 -5.263 11.468 -1.207 664 2HD PRO 85 HD1 PRO 85 -6.760 10.655 -0.702 665 H ARG 86 HN ARG 86 -4.732 11.969 -3.681 666 HA ARG 86 HA ARG 86 -4.129 13.664 -5.885 667 1HB ARG 86 HB2 ARG 86 -2.475 12.836 -4.202 668 2HB ARG 86 HB1 ARG 86 -2.632 11.225 -4.890 669 1HG ARG 86 HG2 ARG 86 -1.793 12.102 -7.041 670 2HG ARG 86 HG1 ARG 86 -1.530 13.666 -6.261 671 1HD ARG 86 HD2 ARG 86 -0.047 12.553 -4.621 672 2HD ARG 86 HD1 ARG 86 -0.260 11.038 -5.495 673 HE ARG 86 HE ARG 86 0.671 13.107 -7.215 674 1HH1 ARG 86 HH11 ARG 86 1.715 10.818 -4.774 675 2HH1 ARG 86 HH12 ARG 86 3.369 10.811 -5.301 676 1HH2 ARG 86 HH21 ARG 86 2.855 13.112 -7.891 677 2HH2 ARG 86 HH22 ARG 86 4.012 12.127 -7.057 678 H ASN 87 HN ASN 87 -4.451 10.148 -5.585 679 HA ASN 87 HA ASN 87 -5.167 9.991 -8.441 680 1HB ASN 87 HB2 ASN 87 -3.568 7.974 -6.839 681 2HB ASN 87 HB1 ASN 87 -4.022 7.818 -8.534 682 1HD2 ASN 87 HD21 ASN 87 -1.440 8.115 -6.915 683 2HD2 ASN 87 HD22 ASN 87 -0.531 9.282 -7.810 684 HA PRO 88 HA PRO 88 -8.516 8.339 -5.782 685 1HB PRO 88 HB2 PRO 88 -10.443 9.677 -7.394 686 2HB PRO 88 HB1 PRO 88 -9.854 10.150 -5.803 687 1HG PRO 88 HG2 PRO 88 -9.411 11.552 -8.153 688 2HG PRO 88 HG1 PRO 88 -8.468 11.722 -6.663 689 1HD PRO 88 HD2 PRO 88 -7.841 10.173 -9.138 690 2HD PRO 88 HD1 PRO 88 -6.760 11.094 -8.071 691 H SER 89 HN SER 89 -7.430 6.653 -7.729 692 HA SER 89 HA SER 89 -9.726 5.880 -9.407 693 1HB SER 89 HB2 SER 89 -6.843 5.022 -9.734 694 2HB SER 89 HB1 SER 89 -8.150 4.863 -10.909 695 HG SER 89 HG SER 89 -8.219 7.153 -11.037 696 H TRP 90 HN TRP 90 -8.654 5.159 -6.496 697 HA TRP 90 HA TRP 90 -8.895 2.238 -6.801 698 1HB TRP 90 HB2 TRP 90 -7.635 3.709 -4.491 699 2HB TRP 90 HB1 TRP 90 -7.552 1.986 -4.839 700 HD1 TRP 90 HD1 TRP 90 -5.647 5.098 -5.293 701 HE1 TRP 90 HE1 TRP 90 -3.703 4.754 -6.935 702 HE3 TRP 90 HE3 TRP 90 -7.041 0.596 -7.278 703 HZ2 TRP 90 HZ2 TRP 90 -2.865 2.838 -8.826 704 HZ3 TRP 90 HZ3 TRP 90 -5.611 -0.423 -9.002 705 HH2 TRP 90 HH2 TRP 90 -3.569 0.676 -9.759 706 H LYS 91 HN LYS 91 -10.901 4.548 -6.330 707 HA LYS 91 HA LYS 91 -12.128 4.231 -3.851 708 1HB LYS 91 HB2 LYS 91 -13.170 5.057 -6.538 709 2HB LYS 91 HB1 LYS 91 -14.274 4.849 -5.186 710 1HG LYS 91 HG2 LYS 91 -12.903 6.484 -3.900 711 2HG LYS 91 HG1 LYS 91 -11.961 6.770 -5.367 712 1HD LYS 91 HD2 LYS 91 -13.846 7.637 -6.516 713 2HD LYS 91 HD1 LYS 91 -14.955 7.061 -5.272 714 1HE LYS 91 HE2 LYS 91 -14.673 9.445 -5.053 715 2HE LYS 91 HE1 LYS 91 -13.936 8.634 -3.674 716 1HZ LYS 91 HZ1 LYS 91 -12.533 10.403 -4.499 717 2HZ LYS 91 HZ2 LYS 91 -12.492 9.699 -6.041 718 3HZ LYS 91 HZ3 LYS 91 -11.776 8.908 -4.725 719 HA PRO 92 HA PRO 92 -14.827 0.671 -5.996 720 1HB PRO 92 HB2 PRO 92 -13.199 -0.851 -7.646 721 2HB PRO 92 HB1 PRO 92 -14.440 0.281 -8.190 722 1HG PRO 92 HG2 PRO 92 -11.492 0.674 -7.925 723 2HG PRO 92 HG1 PRO 92 -12.595 1.244 -9.195 724 1HD PRO 92 HD2 PRO 92 -11.719 2.904 -7.305 725 2HD PRO 92 HD1 PRO 92 -13.394 2.996 -7.884 726 H LEU 93 HN LEU 93 -11.674 0.780 -4.753 727 HA LEU 93 HA LEU 93 -11.763 -2.024 -3.903 728 1HB LEU 93 HB2 LEU 93 -9.497 -0.060 -3.595 729 2HB LEU 93 HB1 LEU 93 -9.430 -1.802 -3.392 730 HG LEU 93 HG LEU 93 -9.971 -0.374 -5.987 731 1HD1 LEU 93 HD11 LEU 93 -7.497 -1.809 -5.014 732 2HD1 LEU 93 HD12 LEU 93 -7.669 -0.067 -5.221 733 3HD1 LEU 93 HD13 LEU 93 -7.731 -1.132 -6.625 734 1HD2 LEU 93 HD21 LEU 93 -9.550 -3.300 -5.366 735 2HD2 LEU 93 HD22 LEU 93 -9.672 -2.606 -6.982 736 3HD2 LEU 93 HD23 LEU 93 -11.057 -2.546 -5.893 737 H ILE 94 HN ILE 94 -11.180 1.225 -2.563 738 HA ILE 94 HA ILE 94 -11.600 0.068 0.112 739 HB ILE 94 HB ILE 94 -10.262 1.801 1.030 740 1HG1 ILE 94 HG12 ILE 94 -9.770 3.122 -1.610 741 2HG1 ILE 94 HG11 ILE 94 -11.245 3.512 -0.724 742 1HG2 ILE 94 HG21 ILE 94 -9.018 0.833 -1.536 743 2HG2 ILE 94 HG22 ILE 94 -8.956 0.041 0.039 744 3HG2 ILE 94 HG23 ILE 94 -8.133 1.582 -0.209 745 1HD1 ILE 94 HD11 ILE 94 -9.925 4.154 1.208 746 2HD1 ILE 94 HD12 ILE 94 -9.466 5.081 -0.222 747 3HD1 ILE 94 HD13 ILE 94 -8.446 3.753 0.335 748 H HIS 95 HN HIS 95 -11.967 2.442 1.500 749 HA HIS 95 HA HIS 95 -14.600 3.267 1.241 750 1HB HIS 95 HB2 HIS 95 -12.160 4.746 2.261 751 2HB HIS 95 HB1 HIS 95 -13.798 5.377 2.416 752 HD1 HIS 95 HD1 HIS 95 -11.721 4.519 4.738 753 HD2 HIS 95 HD2 HIS 95 -15.094 2.434 3.464 754 HE1 HIS 95 HE1 HIS 95 -12.410 3.083 6.682 755 HE2 HIS 95 HE2 HIS 95 -14.544 1.962 5.952 756 H SER 96 HN SER 96 -12.043 5.573 0.607 757 HA SER 96 HA SER 96 -12.349 5.870 -2.184 758 1HB SER 96 HB2 SER 96 -13.682 7.962 -0.433 759 2HB SER 96 HB1 SER 96 -13.234 8.240 -2.115 760 HG SER 96 HG SER 96 -14.756 5.971 -1.596 761 H GLU 97 HN GLU 97 -11.906 7.924 0.631 762 HA GLU 97 HA GLU 97 -9.042 8.110 0.075 763 1HB GLU 97 HB2 GLU 97 -10.240 10.258 -0.115 764 2HB GLU 97 HB1 GLU 97 -10.904 10.046 1.501 765 1HG GLU 97 HG2 GLU 97 -8.498 10.081 2.312 766 2HG GLU 97 HG1 GLU 97 -8.080 10.643 0.691 767 H VAL 98 HN VAL 98 -8.731 9.126 2.894 768 HA VAL 98 HA VAL 98 -8.188 6.683 4.105 769 HB VAL 98 HB VAL 98 -6.989 8.544 4.904 770 1HG1 VAL 98 HG11 VAL 98 -9.606 9.815 5.686 771 2HG1 VAL 98 HG12 VAL 98 -8.583 10.292 4.331 772 3HG1 VAL 98 HG13 VAL 98 -8.002 10.481 5.985 773 1HG2 VAL 98 HG21 VAL 98 -7.422 8.547 7.336 774 2HG2 VAL 98 HG22 VAL 98 -7.419 6.926 6.641 775 3HG2 VAL 98 HG23 VAL 98 -8.945 7.710 7.040 776 H PHE 99 HN PHE 99 -10.962 8.861 4.755 777 HA PHE 99 HA PHE 99 -12.416 6.547 5.771 778 1HB PHE 99 HB2 PHE 99 -11.236 7.590 7.709 779 2HB PHE 99 HB1 PHE 99 -12.132 9.073 7.406 780 HD1 PHE 99 HD1 PHE 99 -12.654 5.456 8.087 781 HD2 PHE 99 HD2 PHE 99 -14.148 9.418 8.481 782 HE1 PHE 99 HE1 PHE 99 -14.475 4.621 9.518 783 HE2 PHE 99 HE2 PHE 99 -15.973 8.595 9.910 784 HZ PHE 99 HZ PHE 99 -16.137 6.194 10.431 785 H LYS 100 HN LYS 100 -12.440 9.927 4.755 786 HA LYS 100 HA LYS 100 -15.287 10.144 4.862 787 1HB LYS 100 HB2 LYS 100 -15.004 12.286 3.756 788 2HB LYS 100 HB1 LYS 100 -13.830 12.113 5.047 789 1HG LYS 100 HG2 LYS 100 -12.510 13.002 3.422 790 2HG LYS 100 HG1 LYS 100 -12.283 11.286 3.085 791 1HD LYS 100 HD2 LYS 100 -13.950 11.379 1.326 792 2HD LYS 100 HD1 LYS 100 -14.283 13.072 1.698 793 1HE LYS 100 HE2 LYS 100 -11.657 11.962 0.713 794 2HE LYS 100 HE1 LYS 100 -12.841 12.823 -0.267 795 1HZ LYS 100 HZ1 LYS 100 -11.413 13.959 2.077 796 2HZ LYS 100 HZ2 LYS 100 -12.511 14.784 1.085 797 3HZ LYS 100 HZ3 LYS 100 -11.027 14.257 0.457 798 H SER 101 HN SER 101 -16.522 10.815 2.828 799 HA SER 101 HA SER 101 -17.435 10.287 0.829 800 1HB SER 101 HB2 SER 101 -15.114 10.877 0.011 801 2HB SER 101 HB1 SER 101 -14.739 9.154 0.042 802 HG SER 101 HG SER 101 -16.961 9.293 -1.293 803 H SER 102 HN SER 102 -17.435 8.483 3.079 804 HA SER 102 HA SER 102 -18.657 6.264 1.785 805 1HB SER 102 HB2 SER 102 -17.214 4.530 2.981 806 2HB SER 102 HB1 SER 102 -16.485 5.319 1.585 807 HG SER 102 HG SER 102 -15.628 6.839 3.293 808 H ILE 103 HN ILE 103 -17.142 7.133 4.901 809 HA ILE 103 HA ILE 103 -19.792 6.767 6.129 810 HB ILE 103 HB ILE 103 -17.124 6.572 7.545 811 1HG1 ILE 103 HG12 ILE 103 -19.014 4.369 6.672 812 2HG1 ILE 103 HG11 ILE 103 -17.427 4.694 5.983 813 1HG2 ILE 103 HG21 ILE 103 -18.465 5.664 9.395 814 2HG2 ILE 103 HG22 ILE 103 -19.932 5.953 8.460 815 3HG2 ILE 103 HG23 ILE 103 -18.937 7.312 8.982 816 1HD1 ILE 103 HD11 ILE 103 -17.977 3.814 8.810 817 2HD1 ILE 103 HD12 ILE 103 -16.386 4.133 8.118 818 3HD1 ILE 103 HD13 ILE 103 -17.365 2.801 7.501 Start of MODEL 19 1 1H MET 1 HT1 MET 1 20.224 5.434 -11.072 2 2H MET 1 HT2 MET 1 19.677 5.495 -12.673 3 3H MET 1 HT3 MET 1 18.655 4.914 -11.451 4 HA MET 1 HA MET 1 19.683 7.687 -11.677 5 1HB MET 1 HB2 MET 1 17.012 6.442 -12.309 6 2HB MET 1 HB1 MET 1 17.164 8.152 -11.941 7 1HG MET 1 HG2 MET 1 17.129 7.912 -14.297 8 2HG MET 1 HG1 MET 1 18.771 8.348 -13.827 9 1HE MET 1 HE1 MET 1 19.590 7.608 -16.274 10 2HE MET 1 HE2 MET 1 17.928 7.176 -16.677 11 3HE MET 1 HE3 MET 1 19.235 6.028 -16.971 12 H ALA 2 HN ALA 2 18.400 9.161 -10.228 13 HA ALA 2 HA ALA 2 18.302 8.141 -7.556 14 1HB ALA 2 HB1 ALA 2 17.569 10.382 -6.938 15 2HB ALA 2 HB2 ALA 2 17.303 10.780 -8.636 16 3HB ALA 2 HB3 ALA 2 18.936 10.471 -8.047 17 H THR 3 HN THR 3 15.873 9.380 -9.843 18 HA THR 3 HA THR 3 13.704 8.156 -8.379 19 HB THR 3 HB THR 3 13.629 9.260 -11.198 20 HG1 THR 3 HG1 THR 3 12.979 11.215 -10.217 21 1HG2 THR 3 HG21 THR 3 11.698 7.889 -10.602 22 2HG2 THR 3 HG22 THR 3 11.234 9.589 -10.700 23 3HG2 THR 3 HG23 THR 3 11.469 8.828 -9.128 24 H GLU 4 HN GLU 4 14.669 6.035 -8.352 25 HA GLU 4 HA GLU 4 14.824 4.611 -10.889 26 1HB GLU 4 HB2 GLU 4 16.567 4.430 -9.028 27 2HB GLU 4 HB1 GLU 4 15.368 3.518 -8.126 28 1HG GLU 4 HG2 GLU 4 16.826 1.970 -9.169 29 2HG GLU 4 HG1 GLU 4 15.281 1.898 -10.018 30 HA PRO 5 HA PRO 5 10.651 3.025 -10.392 31 1HB PRO 5 HB2 PRO 5 11.715 0.905 -12.178 32 2HB PRO 5 HB1 PRO 5 10.281 1.919 -12.369 33 1HG PRO 5 HG2 PRO 5 12.466 2.348 -13.836 34 2HG PRO 5 HG1 PRO 5 11.493 3.699 -13.224 35 1HD PRO 5 HD2 PRO 5 14.108 2.643 -12.229 36 2HD PRO 5 HD1 PRO 5 13.540 4.321 -12.350 37 HA PRO 6 HA PRO 6 12.155 0.282 -7.161 38 1HB PRO 6 HB2 PRO 6 9.387 0.361 -6.198 39 2HB PRO 6 HB1 PRO 6 10.866 0.914 -5.409 40 1HG PRO 6 HG2 PRO 6 9.012 2.634 -6.338 41 2HG PRO 6 HG1 PRO 6 10.744 3.014 -6.355 42 1HD PRO 6 HD2 PRO 6 8.986 2.078 -8.593 43 2HD PRO 6 HD1 PRO 6 10.261 3.317 -8.603 44 H LYS 7 HN LYS 7 12.062 -1.875 -6.761 45 HA LYS 7 HA LYS 7 10.173 -3.436 -8.389 46 1HB LYS 7 HB2 LYS 7 12.742 -4.447 -7.158 47 2HB LYS 7 HB1 LYS 7 11.761 -5.233 -8.378 48 1HG LYS 7 HG2 LYS 7 13.249 -2.666 -8.853 49 2HG LYS 7 HG1 LYS 7 13.924 -4.259 -9.172 50 1HD LYS 7 HD2 LYS 7 13.123 -3.554 -11.248 51 2HD LYS 7 HD1 LYS 7 11.856 -4.626 -10.650 52 1HE LYS 7 HE2 LYS 7 10.442 -2.833 -10.118 53 2HE LYS 7 HE1 LYS 7 11.754 -1.661 -10.207 54 1HZ LYS 7 HZ1 LYS 7 10.281 -1.538 -12.127 55 2HZ LYS 7 HZ2 LYS 7 10.638 -3.148 -12.523 56 3HZ LYS 7 HZ3 LYS 7 11.857 -1.974 -12.580 57 H ILE 8 HN ILE 8 8.488 -3.503 -6.932 58 HA ILE 8 HA ILE 8 9.128 -3.969 -4.152 59 HB ILE 8 HB ILE 8 6.349 -3.711 -5.298 60 1HG1 ILE 8 HG12 ILE 8 7.795 -1.765 -5.973 61 2HG1 ILE 8 HG11 ILE 8 6.455 -1.323 -4.920 62 1HG2 ILE 8 HG21 ILE 8 7.542 -3.210 -2.575 63 2HG2 ILE 8 HG22 ILE 8 6.483 -4.546 -3.030 64 3HG2 ILE 8 HG23 ILE 8 5.862 -2.894 -3.015 65 1HD1 ILE 8 HD11 ILE 8 8.475 -0.146 -4.305 66 2HD1 ILE 8 HD12 ILE 8 9.329 -1.674 -4.097 67 3HD1 ILE 8 HD13 ILE 8 7.997 -1.254 -3.020 68 H VAL 9 HN VAL 9 9.249 -5.913 -3.314 69 HA VAL 9 HA VAL 9 8.278 -8.191 -4.882 70 HB VAL 9 HB VAL 9 10.125 -8.122 -2.483 71 1HG1 VAL 9 HG11 VAL 9 8.973 -10.267 -2.708 72 2HG1 VAL 9 HG12 VAL 9 10.689 -10.423 -3.085 73 3HG1 VAL 9 HG13 VAL 9 9.501 -10.379 -4.388 74 1HG2 VAL 9 HG21 VAL 9 10.744 -8.390 -5.420 75 2HG2 VAL 9 HG22 VAL 9 11.913 -8.548 -4.109 76 3HG2 VAL 9 HG23 VAL 9 11.112 -7.003 -4.395 77 H TRP 10 HN TRP 10 6.880 -9.731 -4.040 78 HA TRP 10 HA TRP 10 5.434 -8.838 -1.650 79 1HB TRP 10 HB2 TRP 10 4.062 -9.019 -3.655 80 2HB TRP 10 HB1 TRP 10 4.549 -10.702 -3.862 81 HD1 TRP 10 HD1 TRP 10 3.515 -9.197 -0.484 82 HE1 TRP 10 HE1 TRP 10 1.402 -10.383 0.346 83 HE3 TRP 10 HE3 TRP 10 2.527 -12.039 -4.613 84 HZ2 TRP 10 HZ2 TRP 10 -0.467 -12.278 -0.630 85 HZ3 TRP 10 HZ3 TRP 10 0.552 -13.510 -4.587 86 HH2 TRP 10 HH2 TRP 10 -0.912 -13.627 -2.635 87 H ASN 11 HN ASN 11 6.198 -9.747 0.102 88 HA ASN 11 HA ASN 11 7.083 -12.518 0.132 89 1HB ASN 11 HB2 ASN 11 8.207 -10.612 1.442 90 2HB ASN 11 HB1 ASN 11 6.815 -10.677 2.517 91 1HD2 ASN 11 HD21 ASN 11 6.572 -12.408 3.899 92 2HD2 ASN 11 HD22 ASN 11 7.837 -13.548 4.203 93 H GLU 12 HN GLU 12 5.082 -13.440 -0.434 94 HA GLU 12 HA GLU 12 2.642 -12.825 0.799 95 1HB GLU 12 HB2 GLU 12 1.815 -14.887 -0.298 96 2HB GLU 12 HB1 GLU 12 2.653 -13.785 -1.380 97 1HG GLU 12 HG2 GLU 12 4.664 -15.192 -1.200 98 2HG GLU 12 HG1 GLU 12 3.757 -16.321 -0.193 99 H GLY 13 HN GLY 13 5.215 -14.858 1.859 100 1HA GLY 13 HA2 GLY 13 3.761 -16.608 3.541 101 2HA GLY 13 HA1 GLY 13 5.439 -16.133 3.765 102 H LYS 14 HN LYS 14 4.574 -13.274 3.805 103 HA LYS 14 HA LYS 14 3.453 -13.209 6.531 104 1HB LYS 14 HB2 LYS 14 5.369 -11.265 5.232 105 2HB LYS 14 HB1 LYS 14 4.713 -11.117 6.858 106 1HG LYS 14 HG2 LYS 14 6.547 -13.280 5.855 107 2HG LYS 14 HG1 LYS 14 6.979 -11.944 6.924 108 1HD LYS 14 HD2 LYS 14 5.459 -12.807 8.627 109 2HD LYS 14 HD1 LYS 14 4.990 -14.126 7.550 110 1HE LYS 14 HE2 LYS 14 7.338 -14.882 7.514 111 2HE LYS 14 HE1 LYS 14 7.740 -13.615 8.675 112 1HZ LYS 14 HZ1 LYS 14 5.856 -15.864 9.113 113 2HZ LYS 14 HZ2 LYS 14 6.159 -14.622 10.227 114 3HZ LYS 14 HZ3 LYS 14 7.399 -15.699 9.800 115 H ARG 15 HN ARG 15 2.832 -12.630 3.380 116 HA ARG 15 HA ARG 15 1.159 -11.610 2.231 117 1HB ARG 15 HB2 ARG 15 0.083 -10.602 4.863 118 2HB ARG 15 HB1 ARG 15 -0.794 -10.823 3.356 119 1HG ARG 15 HG2 ARG 15 -0.596 -13.231 3.564 120 2HG ARG 15 HG1 ARG 15 0.358 -13.033 5.040 121 1HD ARG 15 HD2 ARG 15 -1.590 -11.781 6.007 122 2HD ARG 15 HD1 ARG 15 -2.521 -12.279 4.596 123 HE ARG 15 HE ARG 15 -2.040 -14.620 5.346 124 1HH1 ARG 15 HH11 ARG 15 -1.904 -11.965 7.615 125 2HH1 ARG 15 HH12 ARG 15 -2.410 -12.922 8.978 126 1HH2 ARG 15 HH21 ARG 15 -2.705 -15.903 7.126 127 2HH2 ARG 15 HH22 ARG 15 -2.875 -15.166 8.694 128 H ARG 16 HN ARG 16 3.646 -10.239 2.834 129 HA ARG 16 HA ARG 16 2.702 -7.447 2.811 130 1HB ARG 16 HB2 ARG 16 4.962 -6.943 3.891 131 2HB ARG 16 HB1 ARG 16 3.704 -7.623 4.909 132 1HG ARG 16 HG2 ARG 16 4.717 -9.843 4.656 133 2HG ARG 16 HG1 ARG 16 5.984 -9.141 3.648 134 1HD ARG 16 HD2 ARG 16 5.494 -8.023 6.362 135 2HD ARG 16 HD1 ARG 16 6.349 -9.553 6.216 136 HE ARG 16 HE ARG 16 7.562 -7.764 4.463 137 1HH1 ARG 16 HH11 ARG 16 7.015 -8.007 7.915 138 2HH1 ARG 16 HH12 ARG 16 8.562 -7.324 8.336 139 1HH2 ARG 16 HH21 ARG 16 9.615 -6.875 5.010 140 2HH2 ARG 16 HH22 ARG 16 10.024 -6.664 6.691 141 H PHE 17 HN PHE 17 4.409 -5.951 1.997 142 HA PHE 17 HA PHE 17 5.751 -7.155 -0.338 143 1HB PHE 17 HB2 PHE 17 4.836 -4.302 0.072 144 2HB PHE 17 HB1 PHE 17 5.690 -4.897 -1.344 145 HD1 PHE 17 HD1 PHE 17 2.615 -3.951 -0.218 146 HD2 PHE 17 HD2 PHE 17 4.486 -7.146 -2.300 147 HE1 PHE 17 HE1 PHE 17 0.467 -4.519 -1.265 148 HE2 PHE 17 HE2 PHE 17 2.342 -7.721 -3.355 149 HZ PHE 17 HZ PHE 17 0.329 -6.404 -2.839 150 H GLU 18 HN GLU 18 7.694 -5.758 -1.034 151 HA GLU 18 HA GLU 18 9.027 -4.239 1.001 152 1HB GLU 18 HB2 GLU 18 9.450 -6.898 1.239 153 2HB GLU 18 HB1 GLU 18 10.698 -6.497 0.069 154 1HG GLU 18 HG2 GLU 18 11.771 -5.035 1.551 155 2HG GLU 18 HG1 GLU 18 10.392 -5.011 2.654 156 H THR 19 HN THR 19 10.086 -2.677 0.029 157 HA THR 19 HA THR 19 10.294 -2.530 -2.797 158 HB THR 19 HB THR 19 10.183 -0.536 -1.253 159 HG1 THR 19 HG1 THR 19 10.839 0.106 -3.208 160 1HG2 THR 19 HG21 THR 19 13.066 -1.249 -0.718 161 2HG2 THR 19 HG22 THR 19 11.747 -1.265 0.451 162 3HG2 THR 19 HG23 THR 19 12.283 0.261 -0.253 163 H GLU 20 HN GLU 20 12.453 -2.166 -3.904 164 HA GLU 20 HA GLU 20 14.066 -4.484 -3.571 165 1HB GLU 20 HB2 GLU 20 15.351 -3.628 -5.439 166 2HB GLU 20 HB1 GLU 20 13.634 -3.401 -5.755 167 1HG GLU 20 HG2 GLU 20 13.830 -1.056 -5.073 168 2HG GLU 20 HG1 GLU 20 15.561 -1.287 -4.821 169 H ASP 21 HN ASP 21 13.916 -1.864 -1.748 170 HA ASP 21 HA ASP 21 16.788 -1.715 -1.177 171 1HB ASP 21 HB2 ASP 21 15.597 0.408 -1.632 172 2HB ASP 21 HB1 ASP 21 14.531 0.086 -0.273 173 H HIS 22 HN HIS 22 13.868 -3.025 -0.101 174 HA HIS 22 HA HIS 22 13.299 -4.414 1.585 175 1HB HIS 22 HB2 HIS 22 16.266 -4.402 2.164 176 2HB HIS 22 HB1 HIS 22 15.103 -5.484 2.925 177 HD1 HIS 22 HD1 HIS 22 13.932 -7.247 1.324 178 HD2 HIS 22 HD2 HIS 22 17.130 -5.164 -0.323 179 HE1 HIS 22 HE1 HIS 22 14.588 -8.523 -0.746 180 HE2 HIS 22 HE2 HIS 22 16.677 -7.386 -1.568 181 H GLU 23 HN GLU 23 14.867 -1.477 2.285 182 HA GLU 23 HA GLU 23 14.425 -1.494 5.115 183 1HB GLU 23 HB2 GLU 23 14.969 0.803 3.221 184 2HB GLU 23 HB1 GLU 23 15.050 0.884 4.977 185 1HG GLU 23 HG2 GLU 23 16.799 -0.808 3.193 186 2HG GLU 23 HG1 GLU 23 17.261 0.703 3.991 187 H ALA 24 HN ALA 24 12.579 -0.789 2.327 188 HA ALA 24 HA ALA 24 10.448 0.401 3.973 189 1HB ALA 24 HB1 ALA 24 10.955 0.758 1.022 190 2HB ALA 24 HB2 ALA 24 11.297 1.944 2.283 191 3HB ALA 24 HB3 ALA 24 9.632 1.477 1.941 192 H PHE 25 HN PHE 25 8.503 -0.570 3.976 193 HA PHE 25 HA PHE 25 7.738 -2.486 2.000 194 1HB PHE 25 HB2 PHE 25 7.559 -4.394 3.591 195 2HB PHE 25 HB1 PHE 25 9.217 -3.944 3.211 196 HD1 PHE 25 HD1 PHE 25 6.784 -4.444 5.794 197 HD2 PHE 25 HD2 PHE 25 10.513 -2.598 4.903 198 HE1 PHE 25 HE1 PHE 25 7.258 -4.257 8.197 199 HE2 PHE 25 HE2 PHE 25 10.994 -2.409 7.308 200 HZ PHE 25 HZ PHE 25 9.413 -3.325 8.956 201 H ILE 26 HN ILE 26 5.627 -3.481 2.550 202 HA ILE 26 HA ILE 26 4.125 -1.924 4.519 203 HB ILE 26 HB ILE 26 3.830 -1.613 1.743 204 1HG1 ILE 26 HG12 ILE 26 2.068 -0.854 4.071 205 2HG1 ILE 26 HG11 ILE 26 3.423 0.062 3.419 206 1HG2 ILE 26 HG21 ILE 26 1.435 -3.079 2.868 207 2HG2 ILE 26 HG22 ILE 26 2.524 -3.685 1.621 208 3HG2 ILE 26 HG23 ILE 26 1.511 -2.278 1.296 209 1HD1 ILE 26 HD11 ILE 26 0.830 -0.507 2.016 210 2HD1 ILE 26 HD12 ILE 26 2.191 0.388 1.340 211 3HD1 ILE 26 HD13 ILE 26 1.320 1.027 2.735 212 H GLU 27 HN GLU 27 2.675 -3.088 5.711 213 HA GLU 27 HA GLU 27 2.564 -5.961 5.070 214 1HB GLU 27 HB2 GLU 27 3.367 -5.324 7.344 215 2HB GLU 27 HB1 GLU 27 1.814 -4.550 7.658 216 1HG GLU 27 HG2 GLU 27 0.687 -6.692 7.429 217 2HG GLU 27 HG1 GLU 27 2.213 -7.477 7.031 218 H TYR 28 HN TYR 28 0.544 -6.983 4.799 219 HA TYR 28 HA TYR 28 -1.832 -5.502 5.432 220 1HB TYR 28 HB2 TYR 28 -2.814 -5.366 3.277 221 2HB TYR 28 HB1 TYR 28 -1.197 -4.703 3.110 222 HD1 TYR 28 HD1 TYR 28 -3.417 -7.479 2.225 223 HD2 TYR 28 HD2 TYR 28 0.481 -5.838 1.780 224 HE1 TYR 28 HE1 TYR 28 -2.975 -9.032 0.371 225 HE2 TYR 28 HE2 TYR 28 0.929 -7.381 -0.076 226 HH TYR 28 HH TYR 28 -1.520 -9.249 -1.555 227 H LYS 29 HN LYS 29 -3.756 -6.796 5.228 228 HA LYS 29 HA LYS 29 -3.304 -9.645 4.944 229 1HB LYS 29 HB2 LYS 29 -4.241 -10.137 7.198 230 2HB LYS 29 HB1 LYS 29 -2.674 -9.356 7.234 231 1HG LYS 29 HG2 LYS 29 -5.268 -7.895 7.651 232 2HG LYS 29 HG1 LYS 29 -4.304 -8.577 8.957 233 1HD LYS 29 HD2 LYS 29 -3.481 -6.404 7.030 234 2HD LYS 29 HD1 LYS 29 -3.839 -6.214 8.744 235 1HE LYS 29 HE2 LYS 29 -1.602 -7.943 7.699 236 2HE LYS 29 HE1 LYS 29 -1.394 -6.247 8.120 237 1HZ LYS 29 HZ1 LYS 29 -2.234 -6.848 10.379 238 2HZ LYS 29 HZ2 LYS 29 -0.727 -7.512 9.972 239 3HZ LYS 29 HZ3 LYS 29 -2.120 -8.482 9.928 240 H MET 30 HN MET 30 -5.086 -10.762 4.374 241 HA MET 30 HA MET 30 -7.282 -9.133 3.458 242 1HB MET 30 HB2 MET 30 -6.748 -12.097 3.169 243 2HB MET 30 HB1 MET 30 -8.078 -11.239 2.405 244 1HG MET 30 HG2 MET 30 -6.445 -9.837 1.206 245 2HG MET 30 HG1 MET 30 -5.142 -10.779 1.931 246 1HE MET 30 HE1 MET 30 -5.820 -14.337 0.390 247 2HE MET 30 HE2 MET 30 -6.402 -13.695 1.925 248 3HE MET 30 HE3 MET 30 -4.742 -13.387 1.412 249 H ARG 31 HN ARG 31 -8.805 -8.609 4.779 250 HA ARG 31 HA ARG 31 -9.474 -10.315 7.045 251 1HB ARG 31 HB2 ARG 31 -10.667 -8.366 7.891 252 2HB ARG 31 HB1 ARG 31 -9.006 -7.957 7.493 253 1HG ARG 31 HG2 ARG 31 -9.851 -7.018 5.359 254 2HG ARG 31 HG1 ARG 31 -11.486 -7.250 5.988 255 1HD ARG 31 HD2 ARG 31 -9.318 -5.628 7.325 256 2HD ARG 31 HD1 ARG 31 -10.637 -4.959 6.364 257 HE ARG 31 HE ARG 31 -12.079 -6.193 8.137 258 1HH1 ARG 31 HH11 ARG 31 -9.019 -4.564 8.729 259 2HH1 ARG 31 HH12 ARG 31 -9.433 -4.121 10.357 260 1HH2 ARG 31 HH21 ARG 31 -12.604 -5.596 10.302 261 2HH2 ARG 31 HH22 ARG 31 -11.450 -4.695 11.238 262 H ASN 32 HN ASN 32 -11.806 -10.369 7.653 263 HA ASN 32 HA ASN 32 -13.922 -11.075 7.255 264 1HB ASN 32 HB2 ASN 32 -14.011 -8.716 6.285 265 2HB ASN 32 HB1 ASN 32 -13.805 -9.458 4.707 266 1HD2 ASN 32 HD21 ASN 32 -16.014 -7.900 5.489 267 2HD2 ASN 32 HD22 ASN 32 -17.422 -8.901 5.445 268 H ASN 33 HN ASN 33 -12.445 -13.060 6.793 269 HA ASN 33 HA ASN 33 -12.248 -15.056 5.740 270 1HB ASN 33 HB2 ASN 33 -14.501 -14.078 3.972 271 2HB ASN 33 HB1 ASN 33 -13.930 -15.739 4.088 272 1HD2 ASN 33 HD21 ASN 33 -15.851 -13.275 5.497 273 2HD2 ASN 33 HD22 ASN 33 -16.508 -14.225 6.789 274 H GLY 34 HN GLY 34 -11.056 -12.415 4.641 275 1HA GLY 34 HA2 GLY 34 -9.274 -12.181 3.155 276 2HA GLY 34 HA1 GLY 34 -9.719 -13.712 2.417 277 H LYS 35 HN LYS 35 -11.939 -11.037 2.939 278 HA LYS 35 HA LYS 35 -12.233 -10.822 0.029 279 1HB LYS 35 HB2 LYS 35 -14.066 -9.805 2.210 280 2HB LYS 35 HB1 LYS 35 -14.390 -9.743 0.484 281 1HG LYS 35 HG2 LYS 35 -14.151 -12.215 2.183 282 2HG LYS 35 HG1 LYS 35 -15.625 -11.548 1.482 283 1HD LYS 35 HD2 LYS 35 -14.851 -12.017 -0.738 284 2HD LYS 35 HD1 LYS 35 -13.264 -12.497 -0.132 285 1HE LYS 35 HE2 LYS 35 -14.384 -14.334 1.131 286 2HE LYS 35 HE1 LYS 35 -15.893 -13.900 0.325 287 1HZ LYS 35 HZ1 LYS 35 -14.727 -15.739 -0.773 288 2HZ LYS 35 HZ2 LYS 35 -13.400 -14.726 -1.066 289 3HZ LYS 35 HZ3 LYS 35 -14.899 -14.398 -1.796 290 H VAL 36 HN VAL 36 -11.191 -9.100 2.845 291 HA VAL 36 HA VAL 36 -10.871 -6.677 1.199 292 HB VAL 36 HB VAL 36 -11.670 -6.993 4.076 293 1HG1 VAL 36 HG11 VAL 36 -9.894 -5.534 4.407 294 2HG1 VAL 36 HG12 VAL 36 -11.290 -4.459 4.219 295 3HG1 VAL 36 HG13 VAL 36 -10.169 -4.691 2.875 296 1HG2 VAL 36 HG21 VAL 36 -13.423 -6.718 2.411 297 2HG2 VAL 36 HG22 VAL 36 -12.660 -5.239 1.823 298 3HG2 VAL 36 HG23 VAL 36 -13.331 -5.297 3.454 299 H MET 37 HN MET 37 -8.817 -6.100 0.826 300 HA MET 37 HA MET 37 -6.684 -7.230 2.434 301 1HB MET 37 HB2 MET 37 -6.740 -5.452 0.004 302 2HB MET 37 HB1 MET 37 -5.254 -5.700 0.912 303 1HG MET 37 HG2 MET 37 -5.480 -8.131 0.533 304 2HG MET 37 HG1 MET 37 -6.892 -7.808 -0.473 305 1HE MET 37 HE1 MET 37 -4.056 -8.817 -3.031 306 2HE MET 37 HE2 MET 37 -5.661 -9.215 -2.421 307 3HE MET 37 HE3 MET 37 -4.247 -9.436 -1.389 308 H ASP 38 HN ASP 38 -6.329 -6.401 4.342 309 HA ASP 38 HA ASP 38 -6.772 -3.574 4.857 310 1HB ASP 38 HB2 ASP 38 -7.412 -5.467 6.435 311 2HB ASP 38 HB1 ASP 38 -5.691 -5.677 6.748 312 H LEU 39 HN LEU 39 -5.213 -2.292 4.150 313 HA LEU 39 HA LEU 39 -2.469 -3.204 4.003 314 1HB LEU 39 HB2 LEU 39 -3.882 -0.689 3.147 315 2HB LEU 39 HB1 LEU 39 -2.131 -0.775 3.176 316 HG LEU 39 HG LEU 39 -2.099 -2.474 1.502 317 1HD1 LEU 39 HD11 LEU 39 -4.115 -3.362 0.466 318 2HD1 LEU 39 HD12 LEU 39 -5.105 -2.485 1.632 319 3HD1 LEU 39 HD13 LEU 39 -4.035 -3.777 2.178 320 1HD2 LEU 39 HD21 LEU 39 -4.050 -0.295 0.785 321 2HD2 LEU 39 HD22 LEU 39 -3.152 -1.287 -0.365 322 3HD2 LEU 39 HD23 LEU 39 -2.290 -0.191 0.717 323 H VAL 40 HN VAL 40 -1.358 -3.225 5.809 324 HA VAL 40 HA VAL 40 -1.988 -1.207 7.849 325 HB VAL 40 HB VAL 40 -1.167 -4.094 8.189 326 1HG1 VAL 40 HG11 VAL 40 -1.499 -1.980 10.316 327 2HG1 VAL 40 HG12 VAL 40 0.016 -2.742 9.831 328 3HG1 VAL 40 HG13 VAL 40 -1.245 -3.703 10.599 329 1HG2 VAL 40 HG21 VAL 40 -3.632 -2.563 9.002 330 2HG2 VAL 40 HG22 VAL 40 -3.296 -4.244 9.415 331 3HG2 VAL 40 HG23 VAL 40 -3.518 -3.777 7.729 332 H HIS 41 HN HIS 41 -0.435 0.257 7.614 333 HA HIS 41 HA HIS 41 1.457 1.187 8.427 334 1HB HIS 41 HB2 HIS 41 1.547 -1.065 9.825 335 2HB HIS 41 HB1 HIS 41 2.922 -1.370 8.766 336 HD1 HIS 41 HD1 HIS 41 2.751 -0.562 11.981 337 HD2 HIS 41 HD2 HIS 41 4.221 1.656 8.778 338 HE1 HIS 41 HE1 HIS 41 4.349 1.108 12.979 339 HE2 HIS 41 HE2 HIS 41 5.383 2.282 11.004 340 H THR 42 HN THR 42 2.284 2.240 6.841 341 HA THR 42 HA THR 42 3.848 0.873 4.798 342 HB THR 42 HB THR 42 2.331 2.589 3.979 343 HG1 THR 42 HG1 THR 42 3.749 3.394 2.633 344 1HG2 THR 42 HG21 THR 42 2.123 3.972 5.958 345 2HG2 THR 42 HG22 THR 42 2.618 4.958 4.582 346 3HG2 THR 42 HG23 THR 42 3.802 4.490 5.803 347 H TYR 43 HN TYR 43 5.989 0.696 4.949 348 HA TYR 43 HA TYR 43 7.420 2.402 6.884 349 1HB TYR 43 HB2 TYR 43 8.121 -0.348 5.836 350 2HB TYR 43 HB1 TYR 43 9.150 0.607 6.892 351 HD1 TYR 43 HD1 TYR 43 5.996 -1.291 6.689 352 HD2 TYR 43 HD2 TYR 43 8.745 0.719 9.235 353 HE1 TYR 43 HE1 TYR 43 4.916 -2.311 8.648 354 HE2 TYR 43 HE2 TYR 43 7.672 -0.293 11.202 355 HH TYR 43 HH TYR 43 5.585 -2.886 11.030 356 H VAL 44 HN VAL 44 9.241 3.494 6.228 357 HA VAL 44 HA VAL 44 10.587 2.867 3.789 358 HB VAL 44 HB VAL 44 8.624 4.112 2.912 359 1HG1 VAL 44 HG11 VAL 44 8.224 5.627 4.763 360 2HG1 VAL 44 HG12 VAL 44 8.438 6.518 3.254 361 3HG1 VAL 44 HG13 VAL 44 9.747 6.453 4.435 362 1HG2 VAL 44 HG21 VAL 44 11.286 5.473 2.571 363 2HG2 VAL 44 HG22 VAL 44 9.900 5.675 1.501 364 3HG2 VAL 44 HG23 VAL 44 10.675 4.097 1.652 365 HA PRO 45 HA PRO 45 13.715 4.668 6.385 366 1HB PRO 45 HB2 PRO 45 15.755 4.654 4.610 367 2HB PRO 45 HB1 PRO 45 15.150 3.176 5.371 368 1HG PRO 45 HG2 PRO 45 14.520 4.302 2.662 369 2HG PRO 45 HG1 PRO 45 14.932 2.633 3.108 370 1HD PRO 45 HD2 PRO 45 12.385 3.407 2.714 371 2HD PRO 45 HD1 PRO 45 12.818 2.197 3.939 372 H SER 46 HN SER 46 15.301 6.492 6.326 373 HA SER 46 HA SER 46 14.004 8.881 5.615 374 1HB SER 46 HB2 SER 46 16.927 8.456 6.281 375 2HB SER 46 HB1 SER 46 16.059 9.992 6.349 376 HG SER 46 HG SER 46 16.287 8.211 8.268 377 H PHE 47 HN PHE 47 16.085 6.815 3.861 378 HA PHE 47 HA PHE 47 17.153 8.576 1.959 379 1HB PHE 47 HB2 PHE 47 16.392 5.671 1.680 380 2HB PHE 47 HB1 PHE 47 17.439 6.551 0.570 381 HD1 PHE 47 HD1 PHE 47 17.271 4.597 3.544 382 HD2 PHE 47 HD2 PHE 47 19.595 7.529 1.520 383 HE1 PHE 47 HE1 PHE 47 19.213 4.005 4.930 384 HE2 PHE 47 HE2 PHE 47 21.544 6.946 2.906 385 HZ PHE 47 HZ PHE 47 21.359 5.148 4.589 386 H LYS 48 HN LYS 48 13.986 7.092 2.225 387 HA LYS 48 HA LYS 48 13.209 8.377 -0.302 388 1HB LYS 48 HB2 LYS 48 12.709 5.506 0.484 389 2HB LYS 48 HB1 LYS 48 11.803 6.322 -0.784 390 1HG LYS 48 HG2 LYS 48 13.817 6.659 -2.069 391 2HG LYS 48 HG1 LYS 48 14.796 5.982 -0.767 392 1HD LYS 48 HD2 LYS 48 12.628 4.441 -2.181 393 2HD LYS 48 HD1 LYS 48 14.317 4.426 -2.690 394 1HE LYS 48 HE2 LYS 48 13.262 3.564 0.003 395 2HE LYS 48 HE1 LYS 48 13.806 2.496 -1.290 396 1HZ LYS 48 HZ1 LYS 48 16.023 3.518 -1.113 397 2HZ LYS 48 HZ2 LYS 48 15.554 2.752 0.331 398 3HZ LYS 48 HZ3 LYS 48 15.485 4.440 0.201 399 H ARG 49 HN ARG 49 12.750 8.673 2.750 400 HA ARG 49 HA ARG 49 9.952 8.274 3.104 401 1HB ARG 49 HB2 ARG 49 10.201 9.569 5.163 402 2HB ARG 49 HB1 ARG 49 11.468 8.358 5.028 403 1HG ARG 49 HG2 ARG 49 13.054 10.052 4.328 404 2HG ARG 49 HG1 ARG 49 11.784 11.282 4.379 405 1HD ARG 49 HD2 ARG 49 12.885 9.709 6.706 406 2HD ARG 49 HD1 ARG 49 13.116 11.425 6.385 407 HE ARG 49 HE ARG 49 10.396 10.414 6.828 408 1HH1 ARG 49 HH11 ARG 49 13.100 12.382 7.855 409 2HH1 ARG 49 HH12 ARG 49 12.239 13.108 9.178 410 1HH2 ARG 49 HH21 ARG 49 9.237 11.394 8.556 411 2HH2 ARG 49 HH22 ARG 49 10.042 12.563 9.567 412 H GLY 50 HN GLY 50 8.296 9.545 2.574 413 1HA GLY 50 HA2 GLY 50 7.118 11.375 1.820 414 2HA GLY 50 HA1 GLY 50 8.532 12.361 2.160 415 H LEU 51 HN LEU 51 9.488 9.838 0.227 416 HA LEU 51 HA LEU 51 9.701 11.590 -2.069 417 1HB LEU 51 HB2 LEU 51 11.554 10.077 -1.259 418 2HB LEU 51 HB1 LEU 51 10.589 8.722 -1.814 419 HG LEU 51 HG LEU 51 10.709 9.585 -4.119 420 1HD1 LEU 51 HD11 LEU 51 12.260 11.393 -4.657 421 2HD1 LEU 51 HD12 LEU 51 12.560 11.653 -2.940 422 3HD1 LEU 51 HD13 LEU 51 10.957 11.958 -3.613 423 1HD2 LEU 51 HD21 LEU 51 13.064 9.065 -4.501 424 2HD2 LEU 51 HD22 LEU 51 12.341 7.946 -3.346 425 3HD2 LEU 51 HD23 LEU 51 13.389 9.246 -2.777 426 H GLY 52 HN GLY 52 7.555 9.209 -0.949 427 1HA GLY 52 HA2 GLY 52 5.480 9.029 -2.276 428 2HA GLY 52 HA1 GLY 52 6.517 8.878 -3.687 429 H LEU 53 HN LEU 53 8.381 7.154 -2.108 430 HA LEU 53 HA LEU 53 7.588 4.715 -3.130 431 1HB LEU 53 HB2 LEU 53 9.886 5.424 -2.366 432 2HB LEU 53 HB1 LEU 53 9.372 5.076 -0.726 433 HG LEU 53 HG LEU 53 10.747 3.297 -2.011 434 1HD1 LEU 53 HD11 LEU 53 9.716 2.863 0.146 435 2HD1 LEU 53 HD12 LEU 53 9.543 1.468 -0.918 436 3HD1 LEU 53 HD13 LEU 53 8.171 2.539 -0.643 437 1HD2 LEU 53 HD21 LEU 53 9.434 3.338 -4.066 438 2HD2 LEU 53 HD22 LEU 53 8.009 2.802 -3.174 439 3HD2 LEU 53 HD23 LEU 53 9.406 1.736 -3.330 440 H ALA 54 HN ALA 54 7.207 5.910 0.190 441 HA ALA 54 HA ALA 54 6.120 3.650 1.367 442 1HB ALA 54 HB1 ALA 54 6.796 5.644 2.613 443 2HB ALA 54 HB2 ALA 54 5.144 5.172 3.013 444 3HB ALA 54 HB3 ALA 54 5.435 6.534 1.932 445 H SER 55 HN SER 55 4.539 6.236 -0.403 446 HA SER 55 HA SER 55 1.904 5.232 -0.146 447 1HB SER 55 HB2 SER 55 2.953 7.092 -2.289 448 2HB SER 55 HB1 SER 55 1.311 7.001 -1.649 449 HG SER 55 HG SER 55 2.622 8.765 -0.799 450 H HIS 56 HN HIS 56 4.496 4.765 -2.484 451 HA HIS 56 HA HIS 56 2.999 3.443 -4.480 452 1HB HIS 56 HB2 HIS 56 5.899 3.543 -3.778 453 2HB HIS 56 HB1 HIS 56 5.346 2.263 -4.848 454 HD1 HIS 56 HD1 HIS 56 4.738 2.874 -7.226 455 HD2 HIS 56 HD2 HIS 56 5.699 6.165 -4.865 456 HE1 HIS 56 HE1 HIS 56 4.981 4.806 -8.819 457 HE2 HIS 56 HE2 HIS 56 5.799 6.717 -7.390 458 H LEU 57 HN LEU 57 4.426 2.364 -1.475 459 HA LEU 57 HA LEU 57 4.140 -0.417 -1.902 460 1HB LEU 57 HB2 LEU 57 4.077 1.149 0.685 461 2HB LEU 57 HB1 LEU 57 4.251 -0.591 0.561 462 HG LEU 57 HG LEU 57 6.226 1.355 -0.619 463 1HD1 LEU 57 HD11 LEU 57 7.631 0.858 1.303 464 2HD1 LEU 57 HD12 LEU 57 6.339 -0.117 2.006 465 3HD1 LEU 57 HD13 LEU 57 6.121 1.622 1.805 466 1HD2 LEU 57 HD21 LEU 57 7.683 -0.606 -0.682 467 2HD2 LEU 57 HD22 LEU 57 6.221 -0.864 -1.634 468 3HD2 LEU 57 HD23 LEU 57 6.375 -1.601 -0.040 469 H CYS 58 HN CYS 58 2.017 2.070 -0.596 470 HA CYS 58 HA CYS 58 -0.141 0.362 0.065 471 1HB CYS 58 HB2 CYS 58 0.072 2.704 0.853 472 2HB CYS 58 HB1 CYS 58 -0.229 3.262 -0.795 473 HG CYS 58 HG CYS 58 -2.788 1.652 -0.592 474 H VAL 59 HN VAL 59 0.711 2.127 -2.871 475 HA VAL 59 HA VAL 59 -1.541 1.433 -4.412 476 HB VAL 59 HB VAL 59 1.274 2.128 -5.261 477 1HG1 VAL 59 HG11 VAL 59 0.354 2.592 -7.475 478 2HG1 VAL 59 HG12 VAL 59 -1.223 2.001 -6.948 479 3HG1 VAL 59 HG13 VAL 59 0.147 0.894 -7.044 480 1HG2 VAL 59 HG21 VAL 59 -1.243 3.777 -5.109 481 2HG2 VAL 59 HG22 VAL 59 0.308 4.330 -5.740 482 3HG2 VAL 59 HG23 VAL 59 0.153 3.895 -4.038 483 H ALA 60 HN ALA 60 1.473 -0.225 -3.744 484 HA ALA 60 HA ALA 60 1.394 -2.199 -5.704 485 1HB ALA 60 HB1 ALA 60 3.323 -1.788 -4.235 486 2HB ALA 60 HB2 ALA 60 2.859 -3.490 -4.270 487 3HB ALA 60 HB3 ALA 60 2.428 -2.489 -2.884 488 H ALA 61 HN ALA 61 -0.126 -2.160 -2.464 489 HA ALA 61 HA ALA 61 -1.239 -4.775 -2.738 490 1HB ALA 61 HB1 ALA 61 -2.143 -2.504 -0.972 491 2HB ALA 61 HB2 ALA 61 -0.904 -3.691 -0.566 492 3HB ALA 61 HB3 ALA 61 -2.575 -4.206 -0.798 493 H PHE 62 HN PHE 62 -2.336 -1.520 -3.528 494 HA PHE 62 HA PHE 62 -4.989 -2.085 -4.202 495 1HB PHE 62 HB2 PHE 62 -3.046 -0.035 -5.257 496 2HB PHE 62 HB1 PHE 62 -4.698 -0.147 -5.848 497 HD1 PHE 62 HD1 PHE 62 -6.229 -0.640 -3.423 498 HD2 PHE 62 HD2 PHE 62 -2.894 1.918 -4.067 499 HE1 PHE 62 HE1 PHE 62 -6.964 0.773 -1.544 500 HE2 PHE 62 HE2 PHE 62 -3.629 3.345 -2.198 501 HZ PHE 62 HZ PHE 62 -5.726 2.827 -1.006 502 H GLU 63 HN GLU 63 -2.078 -2.080 -6.236 503 HA GLU 63 HA GLU 63 -3.217 -2.875 -8.645 504 1HB GLU 63 HB2 GLU 63 -0.490 -3.506 -7.499 505 2HB GLU 63 HB1 GLU 63 -0.947 -3.791 -9.172 506 1HG GLU 63 HG2 GLU 63 -1.155 -1.068 -7.939 507 2HG GLU 63 HG1 GLU 63 0.357 -1.666 -8.620 508 H HIS 64 HN HIS 64 -2.305 -4.760 -5.846 509 HA HIS 64 HA HIS 64 -2.576 -7.314 -7.103 510 1HB HIS 64 HB2 HIS 64 -2.214 -6.347 -4.296 511 2HB HIS 64 HB1 HIS 64 -2.692 -8.008 -4.565 512 HD1 HIS 64 HD1 HIS 64 0.117 -5.647 -5.579 513 HD2 HIS 64 HD2 HIS 64 -0.657 -9.713 -5.157 514 HE1 HIS 64 HE1 HIS 64 2.302 -6.807 -6.030 515 HE2 HIS 64 HE2 HIS 64 1.761 -9.265 -5.965 516 H ALA 65 HN ALA 65 -4.556 -5.510 -4.773 517 HA ALA 65 HA ALA 65 -6.638 -7.375 -4.632 518 1HB ALA 65 HB1 ALA 65 -6.770 -4.401 -4.210 519 2HB ALA 65 HB2 ALA 65 -6.327 -5.600 -2.996 520 3HB ALA 65 HB3 ALA 65 -7.959 -5.583 -3.666 521 H SER 66 HN SER 66 -6.461 -4.332 -6.503 522 HA SER 66 HA SER 66 -8.860 -4.507 -7.835 523 1HB SER 66 HB2 SER 66 -6.282 -3.590 -9.130 524 2HB SER 66 HB1 SER 66 -7.918 -3.083 -9.543 525 HG SER 66 HG SER 66 -6.356 -2.427 -7.302 526 H SER 67 HN SER 67 -5.843 -6.174 -8.712 527 HA SER 67 HA SER 67 -6.800 -7.148 -11.202 528 1HB SER 67 HB2 SER 67 -4.536 -8.154 -9.462 529 2HB SER 67 HB1 SER 67 -4.817 -8.624 -11.140 530 HG SER 67 HG SER 67 -3.824 -6.246 -10.082 531 H HIS 68 HN HIS 68 -7.239 -8.189 -7.953 532 HA HIS 68 HA HIS 68 -8.355 -10.750 -8.898 533 1HB HIS 68 HB2 HIS 68 -6.454 -10.637 -7.125 534 2HB HIS 68 HB1 HIS 68 -7.722 -10.120 -6.024 535 HD1 HIS 68 HD1 HIS 68 -9.807 -11.915 -5.861 536 HD2 HIS 68 HD2 HIS 68 -6.182 -13.314 -7.321 537 HE1 HIS 68 HE1 HIS 68 -9.894 -14.412 -5.593 538 HE2 HIS 68 HE2 HIS 68 -7.792 -15.240 -6.715 539 H SER 69 HN SER 69 -9.425 -7.835 -8.575 540 HA SER 69 HA SER 69 -11.336 -6.762 -7.987 541 1HB SER 69 HB2 SER 69 -12.412 -9.590 -8.054 542 2HB SER 69 HB1 SER 69 -13.416 -8.141 -7.979 543 HG SER 69 HG SER 69 -12.733 -7.547 -9.992 544 H ILE 70 HN ILE 70 -9.543 -7.492 -5.875 545 HA ILE 70 HA ILE 70 -11.240 -8.238 -3.641 546 HB ILE 70 HB ILE 70 -8.262 -7.629 -3.746 547 1HG1 ILE 70 HG12 ILE 70 -9.784 -10.239 -3.472 548 2HG1 ILE 70 HG11 ILE 70 -8.925 -9.694 -4.907 549 1HG2 ILE 70 HG21 ILE 70 -8.190 -8.590 -1.474 550 2HG2 ILE 70 HG22 ILE 70 -9.954 -8.655 -1.459 551 3HG2 ILE 70 HG23 ILE 70 -9.128 -7.098 -1.544 552 1HD1 ILE 70 HD11 ILE 70 -7.681 -10.323 -2.243 553 2HD1 ILE 70 HD12 ILE 70 -6.819 -9.785 -3.684 554 3HD1 ILE 70 HD13 ILE 70 -7.643 -11.346 -3.679 555 H SER 71 HN SER 71 -11.731 -6.891 -1.903 556 HA SER 71 HA SER 71 -11.577 -4.037 -2.496 557 1HB SER 71 HB2 SER 71 -13.018 -5.495 -0.257 558 2HB SER 71 HB1 SER 71 -13.199 -3.791 -0.671 559 HG SER 71 HG SER 71 -13.822 -5.982 -2.385 560 H ILE 72 HN ILE 72 -10.989 -2.573 -0.587 561 HA ILE 72 HA ILE 72 -8.804 -3.796 0.952 562 HB ILE 72 HB ILE 72 -8.538 -1.516 -1.011 563 1HG1 ILE 72 HG12 ILE 72 -7.229 -4.205 -0.682 564 2HG1 ILE 72 HG11 ILE 72 -8.083 -3.564 -2.087 565 1HG2 ILE 72 HG21 ILE 72 -7.486 -0.747 1.020 566 2HG2 ILE 72 HG22 ILE 72 -6.262 -1.135 -0.190 567 3HG2 ILE 72 HG23 ILE 72 -6.568 -2.250 1.145 568 1HD1 ILE 72 HD11 ILE 72 -6.254 -1.975 -2.442 569 2HD1 ILE 72 HD12 ILE 72 -5.719 -3.651 -2.514 570 3HD1 ILE 72 HD13 ILE 72 -5.389 -2.680 -1.079 571 H ILE 73 HN ILE 73 -8.144 -2.673 2.756 572 HA ILE 73 HA ILE 73 -9.513 -0.184 3.509 573 HB ILE 73 HB ILE 73 -9.176 -2.651 5.244 574 1HG1 ILE 73 HG12 ILE 73 -11.228 -2.585 3.910 575 2HG1 ILE 73 HG11 ILE 73 -11.591 -2.417 5.626 576 1HG2 ILE 73 HG21 ILE 73 -8.415 -0.751 6.533 577 2HG2 ILE 73 HG22 ILE 73 -9.979 -1.300 7.139 578 3HG2 ILE 73 HG23 ILE 73 -9.884 0.144 6.133 579 1HD1 ILE 73 HD11 ILE 73 -11.495 -0.191 3.608 580 2HD1 ILE 73 HD12 ILE 73 -11.849 -0.008 5.325 581 3HD1 ILE 73 HD13 ILE 73 -12.947 -0.921 4.291 582 HA PRO 74 HA PRO 74 -5.119 0.317 4.095 583 1HB PRO 74 HB2 PRO 74 -5.136 3.008 3.538 584 2HB PRO 74 HB1 PRO 74 -5.072 1.726 2.328 585 1HG PRO 74 HG2 PRO 74 -7.216 3.575 2.863 586 2HG PRO 74 HG1 PRO 74 -7.121 2.340 1.599 587 1HD PRO 74 HD2 PRO 74 -8.498 2.256 4.201 588 2HD PRO 74 HD1 PRO 74 -8.764 1.267 2.749 589 H SER 75 HN SER 75 -4.827 0.035 6.293 590 HA SER 75 HA SER 75 -5.296 2.131 8.199 591 1HB SER 75 HB2 SER 75 -3.342 -0.191 8.322 592 2HB SER 75 HB1 SER 75 -3.884 0.785 9.686 593 HG SER 75 HG SER 75 -5.285 -1.172 8.206 594 H CYS 76 HN CYS 76 -3.093 1.473 5.753 595 HA CYS 76 HA CYS 76 -0.916 3.120 6.403 596 1HB CYS 76 HB2 CYS 76 -1.963 2.432 3.644 597 2HB CYS 76 HB1 CYS 76 -0.369 3.063 4.034 598 HG CYS 76 HG CYS 76 -0.406 0.244 3.405 599 H SER 77 HN SER 77 -3.684 4.290 6.784 600 HA SER 77 HA SER 77 -4.628 5.892 4.797 601 1HB SER 77 HB2 SER 77 -4.805 6.800 7.641 602 2HB SER 77 HB1 SER 77 -6.046 6.798 6.388 603 HG SER 77 HG SER 77 -5.927 4.436 6.521 604 H TYR 78 HN TYR 78 -1.701 6.625 6.539 605 HA TYR 78 HA TYR 78 -1.571 9.385 6.077 606 1HB TYR 78 HB2 TYR 78 0.443 8.883 7.004 607 2HB TYR 78 HB1 TYR 78 0.373 7.216 6.447 608 HD1 TYR 78 HD1 TYR 78 1.239 10.672 5.349 609 HD2 TYR 78 HD2 TYR 78 1.679 6.500 4.635 610 HE1 TYR 78 HE1 TYR 78 2.931 11.147 3.631 611 HE2 TYR 78 HE2 TYR 78 3.370 6.958 2.914 612 HH TYR 78 HH TYR 78 3.937 8.890 1.383 613 H VAL 79 HN VAL 79 -0.724 6.665 3.963 614 HA VAL 79 HA VAL 79 -0.318 8.093 1.581 615 HB VAL 79 HB VAL 79 -1.404 5.290 1.919 616 1HG1 VAL 79 HG11 VAL 79 -0.508 4.898 -0.323 617 2HG1 VAL 79 HG12 VAL 79 -0.034 6.592 -0.430 618 3HG1 VAL 79 HG13 VAL 79 -1.741 6.158 -0.326 619 1HG2 VAL 79 HG21 VAL 79 0.697 5.502 3.091 620 2HG2 VAL 79 HG22 VAL 79 1.443 6.250 1.679 621 3HG2 VAL 79 HG23 VAL 79 0.936 4.563 1.617 622 H SER 80 HN SER 80 -3.152 6.500 2.927 623 HA SER 80 HA SER 80 -4.876 6.744 0.768 624 1HB SER 80 HB2 SER 80 -5.721 6.894 3.660 625 2HB SER 80 HB1 SER 80 -6.609 6.196 2.303 626 HG SER 80 HG SER 80 -5.281 4.486 2.286 627 H ASP 81 HN ASP 81 -4.206 8.990 3.361 628 HA ASP 81 HA ASP 81 -6.388 10.719 2.889 629 1HB ASP 81 HB2 ASP 81 -5.327 10.710 5.038 630 2HB ASP 81 HB1 ASP 81 -3.760 11.076 4.334 631 H THR 82 HN THR 82 -2.939 10.975 2.011 632 HA THR 82 HA THR 82 -3.536 13.341 0.427 633 HB THR 82 HB THR 82 -1.549 13.541 1.720 634 HG1 THR 82 HG1 THR 82 -1.037 14.583 -0.075 635 1HG2 THR 82 HG21 THR 82 -1.017 11.184 2.050 636 2HG2 THR 82 HG22 THR 82 0.391 12.064 1.458 637 3HG2 THR 82 HG23 THR 82 -0.536 11.042 0.359 638 H PHE 83 HN PHE 83 -2.276 10.068 -0.144 639 HA PHE 83 HA PHE 83 -1.641 10.594 -2.878 640 1HB PHE 83 HB2 PHE 83 -0.711 8.843 -1.120 641 2HB PHE 83 HB1 PHE 83 -1.915 7.815 -1.884 642 HD1 PHE 83 HD1 PHE 83 -1.176 6.493 -3.601 643 HD2 PHE 83 HD2 PHE 83 0.716 10.245 -2.936 644 HE1 PHE 83 HE1 PHE 83 0.379 6.037 -5.456 645 HE2 PHE 83 HE2 PHE 83 2.274 9.795 -4.785 646 HZ PHE 83 HZ PHE 83 2.107 7.688 -6.047 647 H LEU 84 HN LEU 84 -4.394 9.114 -1.245 648 HA LEU 84 HA LEU 84 -5.426 7.861 -3.573 649 1HB LEU 84 HB2 LEU 84 -6.565 8.516 -0.900 650 2HB LEU 84 HB1 LEU 84 -7.634 7.963 -2.181 651 HG LEU 84 HG LEU 84 -5.188 6.450 -1.247 652 1HD1 LEU 84 HD11 LEU 84 -6.822 6.559 0.544 653 2HD1 LEU 84 HD12 LEU 84 -6.768 4.937 -0.152 654 3HD1 LEU 84 HD13 LEU 84 -8.089 6.032 -0.563 655 1HD2 LEU 84 HD21 LEU 84 -6.167 4.611 -2.502 656 2HD2 LEU 84 HD22 LEU 84 -5.868 5.999 -3.548 657 3HD2 LEU 84 HD23 LEU 84 -7.506 5.646 -2.995 658 HA PRO 85 HA PRO 85 -8.041 11.915 -4.187 659 1HB PRO 85 HB2 PRO 85 -6.230 13.918 -3.043 660 2HB PRO 85 HB1 PRO 85 -7.981 13.787 -2.898 661 1HG PRO 85 HG2 PRO 85 -6.264 13.277 -0.867 662 2HG PRO 85 HG1 PRO 85 -7.850 12.508 -1.023 663 1HD PRO 85 HD2 PRO 85 -5.143 11.390 -1.532 664 2HD PRO 85 HD1 PRO 85 -6.629 10.583 -0.988 665 H ARG 86 HN ARG 86 -4.589 11.635 -4.003 666 HA ARG 86 HA ARG 86 -3.972 13.301 -6.244 667 1HB ARG 86 HB2 ARG 86 -2.359 12.949 -4.486 668 2HB ARG 86 HB1 ARG 86 -2.402 11.212 -4.732 669 1HG ARG 86 HG2 ARG 86 -1.348 11.474 -6.899 670 2HG ARG 86 HG1 ARG 86 -1.352 13.230 -6.702 671 1HD ARG 86 HD2 ARG 86 0.094 13.067 -4.789 672 2HD ARG 86 HD1 ARG 86 0.006 11.308 -4.825 673 HE ARG 86 HE ARG 86 1.011 11.904 -7.257 674 1HH1 ARG 86 HH11 ARG 86 1.879 12.874 -4.007 675 2HH1 ARG 86 HH12 ARG 86 3.567 13.047 -4.373 676 1HH2 ARG 86 HH21 ARG 86 3.244 12.108 -7.738 677 2HH2 ARG 86 HH22 ARG 86 4.343 12.628 -6.491 678 H ASN 87 HN ASN 87 -4.320 9.815 -5.722 679 HA ASN 87 HA ASN 87 -4.647 9.499 -8.632 680 1HB ASN 87 HB2 ASN 87 -3.204 7.612 -6.758 681 2HB ASN 87 HB1 ASN 87 -3.660 7.205 -8.406 682 1HD2 ASN 87 HD21 ASN 87 -1.474 8.974 -6.395 683 2HD2 ASN 87 HD22 ASN 87 -0.385 9.455 -7.652 684 HA PRO 88 HA PRO 88 -8.327 7.992 -6.344 685 1HB PRO 88 HB2 PRO 88 -9.955 9.336 -8.297 686 2HB PRO 88 HB1 PRO 88 -9.745 9.731 -6.591 687 1HG PRO 88 HG2 PRO 88 -8.862 11.303 -8.657 688 2HG PRO 88 HG1 PRO 88 -8.154 11.308 -7.032 689 1HD PRO 88 HD2 PRO 88 -7.198 9.935 -9.514 690 2HD PRO 88 HD1 PRO 88 -6.268 10.778 -8.259 691 H SER 89 HN SER 89 -7.454 5.944 -7.410 692 HA SER 89 HA SER 89 -9.390 5.135 -9.482 693 1HB SER 89 HB2 SER 89 -6.489 4.272 -9.351 694 2HB SER 89 HB1 SER 89 -7.665 3.812 -10.583 695 HG SER 89 HG SER 89 -6.444 5.487 -11.394 696 H TRP 90 HN TRP 90 -8.769 4.782 -6.399 697 HA TRP 90 HA TRP 90 -8.901 1.838 -6.408 698 1HB TRP 90 HB2 TRP 90 -7.731 3.436 -4.146 699 2HB TRP 90 HB1 TRP 90 -7.498 1.733 -4.526 700 HD1 TRP 90 HD1 TRP 90 -5.743 4.903 -4.739 701 HE1 TRP 90 HE1 TRP 90 -3.788 4.803 -6.396 702 HE3 TRP 90 HE3 TRP 90 -6.970 0.576 -7.179 703 HZ2 TRP 90 HZ2 TRP 90 -2.882 3.118 -8.475 704 HZ3 TRP 90 HZ3 TRP 90 -5.504 -0.204 -8.994 705 HH2 TRP 90 HH2 TRP 90 -3.503 1.042 -9.630 706 H LYS 91 HN LYS 91 -10.745 4.430 -5.967 707 HA LYS 91 HA LYS 91 -11.944 4.115 -3.463 708 1HB LYS 91 HB2 LYS 91 -12.933 5.287 -6.042 709 2HB LYS 91 HB1 LYS 91 -13.973 5.197 -4.628 710 1HG LYS 91 HG2 LYS 91 -12.269 6.479 -3.360 711 2HG LYS 91 HG1 LYS 91 -11.347 6.654 -4.853 712 1HD LYS 91 HD2 LYS 91 -13.046 7.961 -5.859 713 2HD LYS 91 HD1 LYS 91 -14.213 7.535 -4.605 714 1HE LYS 91 HE2 LYS 91 -13.425 9.799 -4.268 715 2HE LYS 91 HE1 LYS 91 -12.873 8.763 -2.958 716 1HZ LYS 91 HZ1 LYS 91 -11.277 9.815 -5.227 717 2HZ LYS 91 HZ2 LYS 91 -10.718 8.597 -4.192 718 3HZ LYS 91 HZ3 LYS 91 -11.066 10.133 -3.575 719 HA PRO 92 HA PRO 92 -15.045 1.006 -5.742 720 1HB PRO 92 HB2 PRO 92 -12.968 -0.286 -7.424 721 2HB PRO 92 HB1 PRO 92 -14.683 -0.025 -7.756 722 1HG PRO 92 HG2 PRO 92 -12.849 1.476 -8.941 723 2HG PRO 92 HG1 PRO 92 -14.362 2.197 -8.358 724 1HD PRO 92 HD2 PRO 92 -11.625 2.288 -7.151 725 2HD PRO 92 HD1 PRO 92 -12.856 3.562 -7.251 726 H LEU 93 HN LEU 93 -11.827 0.674 -4.594 727 HA LEU 93 HA LEU 93 -12.253 -2.105 -3.765 728 1HB LEU 93 HB2 LEU 93 -9.804 -0.438 -3.250 729 2HB LEU 93 HB1 LEU 93 -9.938 -2.187 -3.294 730 HG LEU 93 HG LEU 93 -10.320 -0.444 -5.717 731 1HD1 LEU 93 HD11 LEU 93 -7.837 -1.861 -4.746 732 2HD1 LEU 93 HD12 LEU 93 -8.073 -0.116 -4.854 733 3HD1 LEU 93 HD13 LEU 93 -8.025 -1.093 -6.322 734 1HD2 LEU 93 HD21 LEU 93 -11.317 -2.670 -5.846 735 2HD2 LEU 93 HD22 LEU 93 -9.781 -3.399 -5.376 736 3HD2 LEU 93 HD23 LEU 93 -9.921 -2.549 -6.917 737 H ILE 94 HN ILE 94 -11.686 1.107 -2.493 738 HA ILE 94 HA ILE 94 -11.859 0.070 0.258 739 HB ILE 94 HB ILE 94 -10.536 2.032 0.907 740 1HG1 ILE 94 HG12 ILE 94 -10.544 2.627 -2.059 741 2HG1 ILE 94 HG11 ILE 94 -11.268 3.606 -0.785 742 1HG2 ILE 94 HG21 ILE 94 -9.377 -0.038 0.294 743 2HG2 ILE 94 HG22 ILE 94 -8.420 1.389 -0.098 744 3HG2 ILE 94 HG23 ILE 94 -9.271 0.522 -1.376 745 1HD1 ILE 94 HD11 ILE 94 -8.341 3.058 -1.152 746 2HD1 ILE 94 HD12 ILE 94 -9.056 4.017 0.144 747 3HD1 ILE 94 HD13 ILE 94 -9.184 4.560 -1.531 748 H HIS 95 HN HIS 95 -12.037 2.638 1.426 749 HA HIS 95 HA HIS 95 -14.799 3.279 1.123 750 1HB HIS 95 HB2 HIS 95 -12.536 4.528 2.676 751 2HB HIS 95 HB1 HIS 95 -14.138 5.259 2.628 752 HD1 HIS 95 HD1 HIS 95 -16.025 4.061 3.945 753 HD2 HIS 95 HD2 HIS 95 -12.314 2.192 4.197 754 HE1 HIS 95 HE1 HIS 95 -16.241 2.358 5.781 755 HE2 HIS 95 HE2 HIS 95 -13.959 1.309 5.993 756 H SER 96 HN SER 96 -11.935 5.398 0.721 757 HA SER 96 HA SER 96 -12.581 6.178 -1.919 758 1HB SER 96 HB2 SER 96 -13.244 8.549 -1.367 759 2HB SER 96 HB1 SER 96 -14.464 7.339 -0.950 760 HG SER 96 HG SER 96 -14.210 8.746 0.778 761 H GLU 97 HN GLU 97 -11.406 7.649 1.062 762 HA GLU 97 HA GLU 97 -8.828 8.215 -0.184 763 1HB GLU 97 HB2 GLU 97 -10.276 10.177 -0.404 764 2HB GLU 97 HB1 GLU 97 -10.619 10.144 1.318 765 1HG GLU 97 HG2 GLU 97 -8.275 10.695 1.763 766 2HG GLU 97 HG1 GLU 97 -7.971 10.744 0.024 767 H VAL 98 HN VAL 98 -8.850 9.825 2.649 768 HA VAL 98 HA VAL 98 -7.422 7.861 4.064 769 HB VAL 98 HB VAL 98 -6.916 10.080 4.627 770 1HG1 VAL 98 HG11 VAL 98 -8.911 11.193 3.888 771 2HG1 VAL 98 HG12 VAL 98 -8.555 11.677 5.546 772 3HG1 VAL 98 HG13 VAL 98 -9.836 10.506 5.226 773 1HG2 VAL 98 HG21 VAL 98 -7.328 10.218 7.043 774 2HG2 VAL 98 HG22 VAL 98 -6.848 8.597 6.542 775 3HG2 VAL 98 HG23 VAL 98 -8.539 8.944 6.900 776 H PHE 99 HN PHE 99 -10.755 9.078 4.577 777 HA PHE 99 HA PHE 99 -11.948 6.703 5.292 778 1HB PHE 99 HB2 PHE 99 -10.193 6.782 7.152 779 2HB PHE 99 HB1 PHE 99 -11.077 8.156 7.802 780 HD1 PHE 99 HD1 PHE 99 -11.608 4.615 6.754 781 HD2 PHE 99 HD2 PHE 99 -12.728 7.787 9.358 782 HE1 PHE 99 HE1 PHE 99 -13.089 3.080 7.979 783 HE2 PHE 99 HE2 PHE 99 -14.215 6.258 10.589 784 HZ PHE 99 HZ PHE 99 -14.379 3.882 9.897 785 H LYS 100 HN LYS 100 -11.913 9.885 4.747 786 HA LYS 100 HA LYS 100 -13.918 10.848 6.516 787 1HB LYS 100 HB2 LYS 100 -13.829 12.886 5.010 788 2HB LYS 100 HB1 LYS 100 -12.353 12.451 5.848 789 1HG LYS 100 HG2 LYS 100 -11.708 13.075 3.682 790 2HG LYS 100 HG1 LYS 100 -11.621 11.315 3.711 791 1HD LYS 100 HD2 LYS 100 -13.526 11.083 2.386 792 2HD LYS 100 HD1 LYS 100 -14.082 12.725 2.725 793 1HE LYS 100 HE2 LYS 100 -12.159 13.593 1.438 794 2HE LYS 100 HE1 LYS 100 -11.693 11.937 1.054 795 1HZ LYS 100 HZ1 LYS 100 -14.291 13.178 0.316 796 2HZ LYS 100 HZ2 LYS 100 -13.740 11.643 -0.147 797 3HZ LYS 100 HZ3 LYS 100 -12.964 13.034 -0.722 798 H SER 101 HN SER 101 -14.240 8.848 3.930 799 HA SER 101 HA SER 101 -17.031 9.230 3.741 800 1HB SER 101 HB2 SER 101 -17.229 10.127 1.516 801 2HB SER 101 HB1 SER 101 -16.167 11.194 2.439 802 HG SER 101 HG SER 101 -15.595 10.320 0.162 803 H SER 102 HN SER 102 -17.952 7.856 1.887 804 HA SER 102 HA SER 102 -16.116 5.688 1.128 805 1HB SER 102 HB2 SER 102 -18.937 5.286 2.164 806 2HB SER 102 HB1 SER 102 -17.827 4.020 1.636 807 HG SER 102 HG SER 102 -17.181 5.828 3.723 808 H ILE 103 HN ILE 103 -19.112 7.450 0.538 809 HA ILE 103 HA ILE 103 -18.899 6.670 -2.287 810 HB ILE 103 HB ILE 103 -21.452 6.961 -2.346 811 1HG1 ILE 103 HG12 ILE 103 -21.072 6.449 0.617 812 2HG1 ILE 103 HG11 ILE 103 -21.718 7.921 -0.101 813 1HG2 ILE 103 HG21 ILE 103 -21.794 4.608 -1.724 814 2HG2 ILE 103 HG22 ILE 103 -20.207 4.595 -0.954 815 3HG2 ILE 103 HG23 ILE 103 -20.342 4.841 -2.696 816 1HD1 ILE 103 HD11 ILE 103 -23.485 6.513 0.801 817 2HD1 ILE 103 HD12 ILE 103 -22.977 5.191 -0.251 818 3HD1 ILE 103 HD13 ILE 103 -23.630 6.672 -0.950 Start of MODEL 20 1 1H MET 1 HT1 MET 1 13.574 11.479 -14.958 2 2H MET 1 HT2 MET 1 13.039 13.089 -14.993 3 3H MET 1 HT3 MET 1 12.533 11.999 -16.189 4 HA MET 1 HA MET 1 10.816 12.451 -14.526 5 1HB MET 1 HB2 MET 1 11.917 9.641 -14.687 6 2HB MET 1 HB1 MET 1 10.361 10.025 -13.966 7 1HG MET 1 HG2 MET 1 9.996 9.264 -16.194 8 2HG MET 1 HG1 MET 1 9.649 10.989 -16.131 9 1HE MET 1 HE1 MET 1 13.442 9.154 -18.015 10 2HE MET 1 HE2 MET 1 12.119 8.210 -17.331 11 3HE MET 1 HE3 MET 1 13.155 9.168 -16.275 12 H ALA 2 HN ALA 2 10.154 12.474 -12.401 13 HA ALA 2 HA ALA 2 12.269 12.823 -10.496 14 1HB ALA 2 HB1 ALA 2 10.500 13.458 -8.951 15 2HB ALA 2 HB2 ALA 2 9.282 12.875 -10.088 16 3HB ALA 2 HB3 ALA 2 10.292 14.260 -10.507 17 H THR 3 HN THR 3 10.437 10.140 -11.475 18 HA THR 3 HA THR 3 11.401 8.616 -9.183 19 HB THR 3 HB THR 3 9.150 9.175 -8.509 20 HG1 THR 3 HG1 THR 3 9.000 6.518 -9.506 21 1HG2 THR 3 HG21 THR 3 8.212 9.716 -10.700 22 2HG2 THR 3 HG22 THR 3 7.193 8.557 -9.845 23 3HG2 THR 3 HG23 THR 3 8.252 8.011 -11.146 24 H GLU 4 HN GLU 4 12.190 6.707 -9.725 25 HA GLU 4 HA GLU 4 11.548 5.561 -12.357 26 1HB GLU 4 HB2 GLU 4 13.955 5.900 -11.891 27 2HB GLU 4 HB1 GLU 4 13.812 4.915 -10.443 28 1HG GLU 4 HG2 GLU 4 14.793 3.571 -12.128 29 2HG GLU 4 HG1 GLU 4 13.140 3.004 -11.900 30 HA PRO 5 HA PRO 5 8.575 2.958 -10.225 31 1HB PRO 5 HB2 PRO 5 9.430 1.217 -12.515 32 2HB PRO 5 HB1 PRO 5 7.804 1.525 -11.889 33 1HG PRO 5 HG2 PRO 5 8.652 2.773 -14.070 34 2HG PRO 5 HG1 PRO 5 7.689 3.636 -12.856 35 1HD PRO 5 HD2 PRO 5 10.592 3.831 -13.462 36 2HD PRO 5 HD1 PRO 5 9.486 5.063 -12.824 37 HA PRO 6 HA PRO 6 11.719 0.666 -7.962 38 1HB PRO 6 HB2 PRO 6 9.538 0.198 -6.066 39 2HB PRO 6 HB1 PRO 6 11.053 1.072 -5.832 40 1HG PRO 6 HG2 PRO 6 8.676 2.337 -5.934 41 2HG PRO 6 HG1 PRO 6 10.167 3.073 -6.552 42 1HD PRO 6 HD2 PRO 6 7.957 1.715 -8.056 43 2HD PRO 6 HD1 PRO 6 8.830 3.216 -8.446 44 H LYS 7 HN LYS 7 11.713 -1.519 -6.838 45 HA LYS 7 HA LYS 7 10.163 -3.395 -8.511 46 1HB LYS 7 HB2 LYS 7 12.861 -3.904 -7.238 47 2HB LYS 7 HB1 LYS 7 12.003 -4.964 -8.341 48 1HG LYS 7 HG2 LYS 7 12.971 -2.234 -9.140 49 2HG LYS 7 HG1 LYS 7 13.970 -3.679 -9.276 50 1HD LYS 7 HD2 LYS 7 13.056 -3.524 -11.391 51 2HD LYS 7 HD1 LYS 7 11.943 -4.635 -10.597 52 1HE LYS 7 HE2 LYS 7 10.372 -2.849 -10.206 53 2HE LYS 7 HE1 LYS 7 11.506 -1.667 -10.856 54 1HZ LYS 7 HZ1 LYS 7 10.248 -3.884 -12.382 55 2HZ LYS 7 HZ2 LYS 7 11.357 -2.763 -13.005 56 3HZ LYS 7 HZ3 LYS 7 9.832 -2.243 -12.479 57 H ILE 8 HN ILE 8 8.476 -3.545 -7.057 58 HA ILE 8 HA ILE 8 9.119 -3.948 -4.259 59 HB ILE 8 HB ILE 8 6.385 -3.685 -5.513 60 1HG1 ILE 8 HG12 ILE 8 7.903 -1.730 -5.976 61 2HG1 ILE 8 HG11 ILE 8 6.486 -1.321 -5.011 62 1HG2 ILE 8 HG21 ILE 8 6.360 -4.652 -3.287 63 2HG2 ILE 8 HG22 ILE 8 5.728 -3.007 -3.232 64 3HG2 ILE 8 HG23 ILE 8 7.371 -3.339 -2.683 65 1HD1 ILE 8 HD11 ILE 8 8.471 -0.206 -4.181 66 2HD1 ILE 8 HD12 ILE 8 9.279 -1.760 -3.975 67 3HD1 ILE 8 HD13 ILE 8 7.869 -1.362 -2.994 68 H VAL 9 HN VAL 9 9.038 -5.814 -3.254 69 HA VAL 9 HA VAL 9 8.273 -8.188 -4.809 70 HB VAL 9 HB VAL 9 9.994 -8.008 -2.333 71 1HG1 VAL 9 HG11 VAL 9 9.590 -10.277 -4.278 72 2HG1 VAL 9 HG12 VAL 9 8.954 -10.193 -2.635 73 3HG1 VAL 9 HG13 VAL 9 10.697 -10.274 -2.904 74 1HG2 VAL 9 HG21 VAL 9 11.048 -6.822 -4.133 75 2HG2 VAL 9 HG22 VAL 9 10.779 -8.177 -5.230 76 3HG2 VAL 9 HG23 VAL 9 11.889 -8.350 -3.868 77 H TRP 10 HN TRP 10 6.642 -9.460 -4.157 78 HA TRP 10 HA TRP 10 5.238 -8.751 -1.729 79 1HB TRP 10 HB2 TRP 10 3.907 -9.279 -3.678 80 2HB TRP 10 HB1 TRP 10 4.663 -10.866 -3.811 81 HD1 TRP 10 HD1 TRP 10 3.452 -9.470 -0.441 82 HE1 TRP 10 HE1 TRP 10 1.532 -10.940 0.426 83 HE3 TRP 10 HE3 TRP 10 2.819 -12.461 -4.536 84 HZ2 TRP 10 HZ2 TRP 10 -0.056 -13.088 -0.510 85 HZ3 TRP 10 HZ3 TRP 10 1.080 -14.200 -4.469 86 HH2 TRP 10 HH2 TRP 10 -0.324 -14.504 -2.496 87 H ASN 11 HN ASN 11 5.939 -9.463 0.122 88 HA ASN 11 HA ASN 11 7.239 -12.073 0.324 89 1HB ASN 11 HB2 ASN 11 8.124 -9.997 1.501 90 2HB ASN 11 HB1 ASN 11 6.712 -10.104 2.549 91 1HD2 ASN 11 HD21 ASN 11 9.558 -10.338 3.115 92 2HD2 ASN 11 HD22 ASN 11 9.760 -11.872 3.908 93 H GLU 12 HN GLU 12 5.530 -13.492 0.031 94 HA GLU 12 HA GLU 12 2.987 -13.096 1.227 95 1HB GLU 12 HB2 GLU 12 2.542 -15.442 0.491 96 2HB GLU 12 HB1 GLU 12 3.066 -14.354 -0.786 97 1HG GLU 12 HG2 GLU 12 5.286 -15.295 -0.722 98 2HG GLU 12 HG1 GLU 12 4.840 -16.317 0.646 99 H GLY 13 HN GLY 13 5.913 -14.335 2.461 100 1HA GLY 13 HA2 GLY 13 4.793 -16.085 4.427 101 2HA GLY 13 HA1 GLY 13 6.414 -15.395 4.451 102 H LYS 14 HN LYS 14 5.423 -12.680 4.184 103 HA LYS 14 HA LYS 14 4.590 -12.255 6.968 104 1HB LYS 14 HB2 LYS 14 5.715 -10.209 5.070 105 2HB LYS 14 HB1 LYS 14 5.596 -10.110 6.825 106 1HG LYS 14 HG2 LYS 14 7.074 -12.379 6.443 107 2HG LYS 14 HG1 LYS 14 7.623 -11.318 5.143 108 1HD LYS 14 HD2 LYS 14 8.108 -9.570 6.743 109 2HD LYS 14 HD1 LYS 14 7.491 -10.586 8.054 110 1HE LYS 14 HE2 LYS 14 9.731 -11.428 6.247 111 2HE LYS 14 HE1 LYS 14 10.012 -10.548 7.755 112 1HZ LYS 14 HZ1 LYS 14 10.243 -12.891 8.129 113 2HZ LYS 14 HZ2 LYS 14 8.723 -13.210 7.451 114 3HZ LYS 14 HZ3 LYS 14 8.834 -12.362 8.919 115 H ARG 15 HN ARG 15 3.433 -12.259 3.847 116 HA ARG 15 HA ARG 15 1.631 -11.431 2.741 117 1HB ARG 15 HB2 ARG 15 0.591 -10.581 5.451 118 2HB ARG 15 HB1 ARG 15 -0.349 -10.840 3.990 119 1HG ARG 15 HG2 ARG 15 0.078 -13.211 4.084 120 2HG ARG 15 HG1 ARG 15 1.149 -12.991 5.470 121 1HD ARG 15 HD2 ARG 15 -0.853 -11.934 6.637 122 2HD ARG 15 HD1 ARG 15 -1.824 -12.596 5.324 123 HE ARG 15 HE ARG 15 -0.806 -14.824 6.044 124 1HH1 ARG 15 HH11 ARG 15 -1.404 -12.143 8.230 125 2HH1 ARG 15 HH12 ARG 15 -1.634 -13.162 9.619 126 1HH2 ARG 15 HH21 ARG 15 -1.059 -16.166 7.878 127 2HH2 ARG 15 HH22 ARG 15 -1.414 -15.455 9.425 128 H ARG 16 HN ARG 16 3.776 -9.837 2.631 129 HA ARG 16 HA ARG 16 2.654 -7.146 2.822 130 1HB ARG 16 HB2 ARG 16 4.437 -6.262 4.085 131 2HB ARG 16 HB1 ARG 16 3.995 -7.749 4.902 132 1HG ARG 16 HG2 ARG 16 5.876 -8.894 3.878 133 2HG ARG 16 HG1 ARG 16 6.317 -7.415 3.018 134 1HD ARG 16 HD2 ARG 16 6.480 -6.308 5.288 135 2HD ARG 16 HD1 ARG 16 6.347 -7.922 5.986 136 HE ARG 16 HE ARG 16 8.405 -7.873 4.043 137 1HH1 ARG 16 HH11 ARG 16 7.690 -6.889 7.340 138 2HH1 ARG 16 HH12 ARG 16 9.372 -6.774 7.790 139 1HH2 ARG 16 HH21 ARG 16 10.574 -7.717 4.630 140 2HH2 ARG 16 HH22 ARG 16 11.016 -7.206 6.236 141 H PHE 17 HN PHE 17 4.058 -5.531 1.683 142 HA PHE 17 HA PHE 17 5.556 -6.793 -0.527 143 1HB PHE 17 HB2 PHE 17 4.166 -4.106 -0.559 144 2HB PHE 17 HB1 PHE 17 5.034 -4.846 -1.897 145 HD1 PHE 17 HD1 PHE 17 1.892 -4.279 -0.500 146 HD2 PHE 17 HD2 PHE 17 4.143 -7.230 -2.579 147 HE1 PHE 17 HE1 PHE 17 -0.198 -5.335 -1.252 148 HE2 PHE 17 HE2 PHE 17 2.057 -8.288 -3.336 149 HZ PHE 17 HZ PHE 17 -0.115 -7.323 -2.707 150 H GLU 18 HN GLU 18 7.636 -6.227 -0.741 151 HA GLU 18 HA GLU 18 8.620 -4.005 0.928 152 1HB GLU 18 HB2 GLU 18 10.708 -5.861 0.317 153 2HB GLU 18 HB1 GLU 18 10.075 -5.402 1.895 154 1HG GLU 18 HG2 GLU 18 8.265 -7.103 1.549 155 2HG GLU 18 HG1 GLU 18 9.140 -7.630 0.112 156 H THR 19 HN THR 19 10.159 -2.641 0.054 157 HA THR 19 HA THR 19 10.213 -2.417 -2.790 158 HB THR 19 HB THR 19 10.374 -0.429 -1.385 159 HG1 THR 19 HG1 THR 19 11.742 -0.631 -3.426 160 1HG2 THR 19 HG21 THR 19 12.291 0.000 0.044 161 2HG2 THR 19 HG22 THR 19 12.943 -1.593 -0.340 162 3HG2 THR 19 HG23 THR 19 11.426 -1.451 0.549 163 H GLU 20 HN GLU 20 12.431 -2.297 -3.946 164 HA GLU 20 HA GLU 20 13.840 -4.730 -3.745 165 1HB GLU 20 HB2 GLU 20 15.437 -3.662 -5.309 166 2HB GLU 20 HB1 GLU 20 13.760 -3.450 -5.792 167 1HG GLU 20 HG2 GLU 20 14.887 -1.292 -4.145 168 2HG GLU 20 HG1 GLU 20 15.553 -1.461 -5.771 169 H ASP 21 HN ASP 21 13.774 -2.244 -1.738 170 HA ASP 21 HA ASP 21 16.551 -2.322 -0.868 171 1HB ASP 21 HB2 ASP 21 15.669 -0.147 -1.167 172 2HB ASP 21 HB1 ASP 21 14.166 -0.569 -0.385 173 H HIS 22 HN HIS 22 13.360 -3.340 -0.027 174 HA HIS 22 HA HIS 22 12.531 -4.798 1.462 175 1HB HIS 22 HB2 HIS 22 15.433 -5.436 1.990 176 2HB HIS 22 HB1 HIS 22 14.079 -6.347 2.654 177 HD1 HIS 22 HD1 HIS 22 12.693 -7.813 0.991 178 HD2 HIS 22 HD2 HIS 22 15.995 -5.913 -0.697 179 HE1 HIS 22 HE1 HIS 22 13.058 -8.920 -1.237 180 HE2 HIS 22 HE2 HIS 22 14.930 -7.621 -2.319 181 H GLU 23 HN GLU 23 14.531 -2.260 2.568 182 HA GLU 23 HA GLU 23 13.874 -2.648 5.350 183 1HB GLU 23 HB2 GLU 23 14.957 -0.154 4.033 184 2HB GLU 23 HB1 GLU 23 14.996 -0.552 5.745 185 1HG GLU 23 HG2 GLU 23 16.370 -2.615 4.969 186 2HG GLU 23 HG1 GLU 23 16.629 -1.663 3.502 187 H ALA 24 HN ALA 24 12.663 -0.875 2.607 188 HA ALA 24 HA ALA 24 10.453 0.198 4.189 189 1HB ALA 24 HB1 ALA 24 9.731 1.252 2.076 190 2HB ALA 24 HB2 ALA 24 11.103 0.504 1.256 191 3HB ALA 24 HB3 ALA 24 11.380 1.701 2.523 192 H PHE 25 HN PHE 25 8.428 -0.617 4.129 193 HA PHE 25 HA PHE 25 7.601 -2.499 2.139 194 1HB PHE 25 HB2 PHE 25 7.224 -4.385 3.665 195 2HB PHE 25 HB1 PHE 25 8.938 -4.006 3.523 196 HD1 PHE 25 HD1 PHE 25 6.047 -4.110 5.732 197 HD2 PHE 25 HD2 PHE 25 10.138 -2.990 5.396 198 HE1 PHE 25 HE1 PHE 25 6.202 -3.953 8.179 199 HE2 PHE 25 HE2 PHE 25 10.298 -2.834 7.845 200 HZ PHE 25 HZ PHE 25 8.327 -3.313 9.240 201 H ILE 26 HN ILE 26 5.429 -3.176 2.397 202 HA ILE 26 HA ILE 26 3.905 -1.789 4.486 203 HB ILE 26 HB ILE 26 3.639 -1.448 1.662 204 1HG1 ILE 26 HG12 ILE 26 2.129 -0.461 4.074 205 2HG1 ILE 26 HG11 ILE 26 3.436 0.340 3.208 206 1HG2 ILE 26 HG21 ILE 26 1.236 -1.893 1.364 207 2HG2 ILE 26 HG22 ILE 26 1.186 -2.675 2.945 208 3HG2 ILE 26 HG23 ILE 26 2.142 -3.381 1.640 209 1HD1 ILE 26 HD11 ILE 26 1.996 0.649 1.283 210 2HD1 ILE 26 HD12 ILE 26 1.256 1.334 2.731 211 3HD1 ILE 26 HD13 ILE 26 0.694 -0.218 2.102 212 H GLU 27 HN GLU 27 2.560 -3.082 5.619 213 HA GLU 27 HA GLU 27 2.525 -5.907 4.813 214 1HB GLU 27 HB2 GLU 27 3.332 -5.184 7.119 215 2HB GLU 27 HB1 GLU 27 1.666 -4.745 7.474 216 1HG GLU 27 HG2 GLU 27 0.965 -7.037 7.156 217 2HG GLU 27 HG1 GLU 27 2.601 -7.496 6.682 218 H TYR 28 HN TYR 28 0.366 -7.052 5.329 219 HA TYR 28 HA TYR 28 -1.963 -5.466 5.470 220 1HB TYR 28 HB2 TYR 28 -2.853 -5.625 3.282 221 2HB TYR 28 HB1 TYR 28 -1.202 -5.082 3.074 222 HD1 TYR 28 HD1 TYR 28 -3.439 -8.001 2.757 223 HD2 TYR 28 HD2 TYR 28 0.359 -6.342 1.810 224 HE1 TYR 28 HE1 TYR 28 -3.014 -9.865 1.213 225 HE2 TYR 28 HE2 TYR 28 0.792 -8.196 0.259 226 HH TYR 28 HH TYR 28 -1.662 -10.483 -0.611 227 H LYS 29 HN LYS 29 -3.940 -6.796 5.202 228 HA LYS 29 HA LYS 29 -3.564 -9.662 5.406 229 1HB LYS 29 HB2 LYS 29 -4.887 -9.760 7.550 230 2HB LYS 29 HB1 LYS 29 -3.254 -9.142 7.708 231 1HG LYS 29 HG2 LYS 29 -5.665 -7.349 7.520 232 2HG LYS 29 HG1 LYS 29 -5.024 -7.955 9.048 233 1HD LYS 29 HD2 LYS 29 -2.813 -6.932 7.674 234 2HD LYS 29 HD1 LYS 29 -4.106 -5.767 7.401 235 1HE LYS 29 HE2 LYS 29 -3.383 -6.817 10.118 236 2HE LYS 29 HE1 LYS 29 -2.650 -5.376 9.422 237 1HZ LYS 29 HZ1 LYS 29 -4.903 -4.427 9.213 238 2HZ LYS 29 HZ2 LYS 29 -4.454 -4.736 10.822 239 3HZ LYS 29 HZ3 LYS 29 -5.533 -5.778 10.033 240 H MET 30 HN MET 30 -5.238 -10.748 4.584 241 HA MET 30 HA MET 30 -7.385 -9.229 3.400 242 1HB MET 30 HB2 MET 30 -6.946 -12.232 3.463 243 2HB MET 30 HB1 MET 30 -8.060 -11.365 2.418 244 1HG MET 30 HG2 MET 30 -6.232 -10.306 1.263 245 2HG MET 30 HG1 MET 30 -5.071 -11.032 2.372 246 1HE MET 30 HE1 MET 30 -8.274 -12.662 0.771 247 2HE MET 30 HE2 MET 30 -7.592 -13.452 -0.650 248 3HE MET 30 HE3 MET 30 -7.627 -11.692 -0.553 249 H ARG 31 HN ARG 31 -8.878 -8.542 4.742 250 HA ARG 31 HA ARG 31 -9.617 -10.018 7.135 251 1HB ARG 31 HB2 ARG 31 -10.434 -7.312 6.064 252 2HB ARG 31 HB1 ARG 31 -11.000 -7.980 7.586 253 1HG ARG 31 HG2 ARG 31 -8.801 -7.930 8.507 254 2HG ARG 31 HG1 ARG 31 -8.102 -7.503 6.944 255 1HD ARG 31 HD2 ARG 31 -8.212 -5.531 8.310 256 2HD ARG 31 HD1 ARG 31 -9.378 -5.384 6.998 257 HE ARG 31 HE ARG 31 -10.825 -6.413 9.072 258 1HH1 ARG 31 HH11 ARG 31 -8.819 -3.554 8.611 259 2HH1 ARG 31 HH12 ARG 31 -9.694 -2.618 9.787 260 1HH2 ARG 31 HH21 ARG 31 -11.959 -5.172 10.608 261 2HH2 ARG 31 HH22 ARG 31 -11.491 -3.518 10.905 262 H ASN 32 HN ASN 32 -12.020 -10.027 7.664 263 HA ASN 32 HA ASN 32 -14.088 -10.870 7.243 264 1HB ASN 32 HB2 ASN 32 -14.067 -8.660 5.895 265 2HB ASN 32 HB1 ASN 32 -13.871 -9.678 4.479 266 1HD2 ASN 32 HD21 ASN 32 -16.049 -7.877 5.379 267 2HD2 ASN 32 HD22 ASN 32 -17.482 -8.840 5.352 268 H ASN 33 HN ASN 33 -12.041 -12.585 6.980 269 HA ASN 33 HA ASN 33 -11.626 -14.720 6.354 270 1HB ASN 33 HB2 ASN 33 -14.018 -15.110 6.112 271 2HB ASN 33 HB1 ASN 33 -13.999 -14.399 4.502 272 1HD2 ASN 33 HD21 ASN 33 -13.325 -15.614 2.783 273 2HD2 ASN 33 HD22 ASN 33 -12.915 -17.291 2.895 274 H GLY 34 HN GLY 34 -11.628 -12.103 4.216 275 1HA GLY 34 HA2 GLY 34 -9.422 -12.096 2.959 276 2HA GLY 34 HA1 GLY 34 -10.007 -13.597 2.258 277 H LYS 35 HN LYS 35 -12.120 -10.923 2.953 278 HA LYS 35 HA LYS 35 -12.664 -10.632 0.093 279 1HB LYS 35 HB2 LYS 35 -14.159 -9.680 2.542 280 2HB LYS 35 HB1 LYS 35 -14.656 -9.341 0.890 281 1HG LYS 35 HG2 LYS 35 -14.346 -12.101 2.043 282 2HG LYS 35 HG1 LYS 35 -15.874 -11.221 1.934 283 1HD LYS 35 HD2 LYS 35 -15.642 -11.107 -0.493 284 2HD LYS 35 HD1 LYS 35 -14.100 -11.957 -0.392 285 1HE LYS 35 HE2 LYS 35 -15.186 -13.929 0.454 286 2HE LYS 35 HE1 LYS 35 -16.730 -13.084 0.552 287 1HZ LYS 35 HZ1 LYS 35 -15.247 -13.559 -1.978 288 2HZ LYS 35 HZ2 LYS 35 -16.804 -12.907 -1.818 289 3HZ LYS 35 HZ3 LYS 35 -16.517 -14.532 -1.416 290 H VAL 36 HN VAL 36 -11.322 -8.963 2.813 291 HA VAL 36 HA VAL 36 -10.973 -6.570 1.140 292 HB VAL 36 HB VAL 36 -11.603 -6.671 4.092 293 1HG1 VAL 36 HG11 VAL 36 -11.497 -4.230 4.046 294 2HG1 VAL 36 HG12 VAL 36 -10.971 -4.277 2.364 295 3HG1 VAL 36 HG13 VAL 36 -9.938 -4.939 3.631 296 1HG2 VAL 36 HG21 VAL 36 -13.581 -5.353 3.445 297 2HG2 VAL 36 HG22 VAL 36 -13.562 -6.956 2.707 298 3HG2 VAL 36 HG23 VAL 36 -13.127 -5.538 1.751 299 H MET 37 HN MET 37 -8.900 -6.104 0.797 300 HA MET 37 HA MET 37 -6.863 -7.260 2.509 301 1HB MET 37 HB2 MET 37 -6.815 -5.718 -0.072 302 2HB MET 37 HB1 MET 37 -5.343 -5.929 0.870 303 1HG MET 37 HG2 MET 37 -5.552 -8.338 0.696 304 2HG MET 37 HG1 MET 37 -7.070 -8.161 -0.180 305 1HE MET 37 HE1 MET 37 -3.202 -7.261 -0.294 306 2HE MET 37 HE2 MET 37 -4.029 -5.748 -0.665 307 3HE MET 37 HE3 MET 37 -3.092 -6.569 -1.914 308 H ASP 38 HN ASP 38 -6.434 -6.324 4.325 309 HA ASP 38 HA ASP 38 -6.804 -3.472 4.688 310 1HB ASP 38 HB2 ASP 38 -7.442 -5.204 6.395 311 2HB ASP 38 HB1 ASP 38 -5.734 -5.556 6.606 312 H LEU 39 HN LEU 39 -5.279 -2.263 3.831 313 HA LEU 39 HA LEU 39 -2.539 -3.158 3.644 314 1HB LEU 39 HB2 LEU 39 -4.023 -0.698 2.756 315 2HB LEU 39 HB1 LEU 39 -2.270 -0.732 2.738 316 HG LEU 39 HG LEU 39 -2.203 -2.390 1.080 317 1HD1 LEU 39 HD11 LEU 39 -5.162 -2.770 1.417 318 2HD1 LEU 39 HD12 LEU 39 -3.905 -3.898 1.921 319 3HD1 LEU 39 HD13 LEU 39 -4.151 -3.558 0.206 320 1HD2 LEU 39 HD21 LEU 39 -2.729 -0.177 0.248 321 2HD2 LEU 39 HD22 LEU 39 -4.452 -0.497 0.445 322 3HD2 LEU 39 HD23 LEU 39 -3.517 -1.409 -0.740 323 H VAL 40 HN VAL 40 -1.433 -3.146 5.495 324 HA VAL 40 HA VAL 40 -1.995 -0.963 7.374 325 HB VAL 40 HB VAL 40 -2.863 -3.151 8.105 326 1HG1 VAL 40 HG11 VAL 40 -1.227 -4.616 7.081 327 2HG1 VAL 40 HG12 VAL 40 -1.329 -4.912 8.817 328 3HG1 VAL 40 HG13 VAL 40 0.026 -3.996 8.158 329 1HG2 VAL 40 HG21 VAL 40 -0.594 -2.090 9.777 330 2HG2 VAL 40 HG22 VAL 40 -1.914 -3.105 10.358 331 3HG2 VAL 40 HG23 VAL 40 -2.250 -1.481 9.758 332 H HIS 41 HN HIS 41 -0.347 0.285 7.870 333 HA HIS 41 HA HIS 41 1.678 0.908 8.649 334 1HB HIS 41 HB2 HIS 41 1.633 -1.387 9.756 335 2HB HIS 41 HB1 HIS 41 2.599 -1.953 8.402 336 HD1 HIS 41 HD1 HIS 41 2.925 -0.640 11.713 337 HD2 HIS 41 HD2 HIS 41 5.138 -0.354 8.202 338 HE1 HIS 41 HE1 HIS 41 5.238 0.042 12.422 339 HE2 HIS 41 HE2 HIS 41 6.610 -0.041 10.313 340 H THR 42 HN THR 42 2.105 2.126 6.856 341 HA THR 42 HA THR 42 3.819 0.982 4.795 342 HB THR 42 HB THR 42 2.138 2.613 4.047 343 HG1 THR 42 HG1 THR 42 3.600 3.131 2.647 344 1HG2 THR 42 HG21 THR 42 1.861 3.956 6.025 345 2HG2 THR 42 HG22 THR 42 2.382 5.006 4.706 346 3HG2 THR 42 HG23 THR 42 3.537 4.502 5.943 347 H TYR 43 HN TYR 43 6.003 0.943 5.098 348 HA TYR 43 HA TYR 43 7.137 3.109 6.700 349 1HB TYR 43 HB2 TYR 43 6.855 0.843 7.979 350 2HB TYR 43 HB1 TYR 43 8.278 0.367 7.050 351 HD1 TYR 43 HD1 TYR 43 7.109 3.290 9.088 352 HD2 TYR 43 HD2 TYR 43 10.312 0.714 8.001 353 HE1 TYR 43 HE1 TYR 43 8.564 4.415 10.724 354 HE2 TYR 43 HE2 TYR 43 11.776 1.828 9.616 355 HH TYR 43 HH TYR 43 11.946 3.984 10.782 356 H VAL 44 HN VAL 44 9.291 3.597 6.275 357 HA VAL 44 HA VAL 44 10.648 2.437 4.024 358 HB VAL 44 HB VAL 44 8.889 3.724 2.887 359 1HG1 VAL 44 HG11 VAL 44 10.024 6.124 4.314 360 2HG1 VAL 44 HG12 VAL 44 8.439 5.400 4.585 361 3HG1 VAL 44 HG13 VAL 44 8.806 6.164 3.038 362 1HG2 VAL 44 HG21 VAL 44 10.320 5.108 1.456 363 2HG2 VAL 44 HG22 VAL 44 11.026 3.526 1.788 364 3HG2 VAL 44 HG23 VAL 44 11.623 4.953 2.633 365 HA PRO 45 HA PRO 45 14.009 4.273 6.375 366 1HB PRO 45 HB2 PRO 45 15.464 4.265 3.794 367 2HB PRO 45 HB1 PRO 45 15.899 3.514 5.332 368 1HG PRO 45 HG2 PRO 45 15.056 2.048 3.272 369 2HG PRO 45 HG1 PRO 45 14.603 1.645 4.938 370 1HD PRO 45 HD2 PRO 45 12.995 2.996 2.807 371 2HD PRO 45 HD1 PRO 45 12.488 1.789 4.005 372 H SER 46 HN SER 46 15.307 6.190 6.425 373 HA SER 46 HA SER 46 13.932 8.513 5.952 374 1HB SER 46 HB2 SER 46 16.936 8.244 6.158 375 2HB SER 46 HB1 SER 46 15.978 9.675 6.542 376 HG SER 46 HG SER 46 15.354 8.801 8.380 377 H PHE 47 HN PHE 47 16.264 6.929 3.862 378 HA PHE 47 HA PHE 47 16.809 8.928 2.027 379 1HB PHE 47 HB2 PHE 47 17.868 6.674 2.120 380 2HB PHE 47 HB1 PHE 47 16.399 5.994 1.426 381 HD1 PHE 47 HD1 PHE 47 16.288 5.709 -0.857 382 HD2 PHE 47 HD2 PHE 47 18.961 8.617 0.731 383 HE1 PHE 47 HE1 PHE 47 17.165 6.133 -3.116 384 HE2 PHE 47 HE2 PHE 47 19.840 9.048 -1.526 385 HZ PHE 47 HZ PHE 47 18.939 7.806 -3.453 386 H LYS 48 HN LYS 48 13.920 6.949 2.331 387 HA LYS 48 HA LYS 48 12.866 8.243 -0.098 388 1HB LYS 48 HB2 LYS 48 12.238 5.435 0.832 389 2HB LYS 48 HB1 LYS 48 11.673 6.203 -0.644 390 1HG LYS 48 HG2 LYS 48 13.955 6.288 -1.490 391 2HG LYS 48 HG1 LYS 48 14.543 5.554 0.002 392 1HD LYS 48 HD2 LYS 48 12.548 4.245 -1.838 393 2HD LYS 48 HD1 LYS 48 14.291 3.985 -1.932 394 1HE LYS 48 HE2 LYS 48 12.709 3.502 0.583 395 2HE LYS 48 HE1 LYS 48 12.944 2.256 -0.642 396 1HZ LYS 48 HZ1 LYS 48 14.601 2.012 1.058 397 2HZ LYS 48 HZ2 LYS 48 15.073 3.634 0.910 398 3HZ LYS 48 HZ3 LYS 48 15.362 2.555 -0.360 399 H ARG 49 HN ARG 49 12.621 8.482 3.043 400 HA ARG 49 HA ARG 49 9.861 8.130 3.599 401 1HB ARG 49 HB2 ARG 49 12.044 9.717 4.933 402 2HB ARG 49 HB1 ARG 49 10.377 9.821 5.484 403 1HG ARG 49 HG2 ARG 49 10.339 7.464 5.963 404 2HG ARG 49 HG1 ARG 49 11.956 7.271 5.284 405 1HD ARG 49 HD2 ARG 49 12.126 7.310 7.674 406 2HD ARG 49 HD1 ARG 49 12.821 8.795 7.031 407 HE ARG 49 HE ARG 49 10.482 9.744 7.616 408 1HH1 ARG 49 HH11 ARG 49 12.224 7.292 9.422 409 2HH1 ARG 49 HH12 ARG 49 11.539 7.750 10.954 410 1HH2 ARG 49 HH21 ARG 49 9.590 10.355 9.645 411 2HH2 ARG 49 HH22 ARG 49 10.059 9.491 11.079 412 H GLY 50 HN GLY 50 8.182 9.273 2.970 413 1HA GLY 50 HA2 GLY 50 6.877 11.052 2.326 414 2HA GLY 50 HA1 GLY 50 8.197 12.117 2.780 415 H LEU 51 HN LEU 51 9.240 9.758 0.631 416 HA LEU 51 HA LEU 51 9.472 11.742 -1.471 417 1HB LEU 51 HB2 LEU 51 11.372 10.281 -0.791 418 2HB LEU 51 HB1 LEU 51 10.476 8.897 -1.391 419 HG LEU 51 HG LEU 51 10.535 9.858 -3.663 420 1HD1 LEU 51 HD11 LEU 51 12.277 11.969 -2.396 421 2HD1 LEU 51 HD12 LEU 51 10.665 12.216 -3.070 422 3HD1 LEU 51 HD13 LEU 51 12.003 11.761 -4.126 423 1HD2 LEU 51 HD21 LEU 51 12.250 8.274 -2.954 424 2HD2 LEU 51 HD22 LEU 51 13.238 9.607 -2.351 425 3HD2 LEU 51 HD23 LEU 51 12.904 9.465 -4.076 426 H GLY 52 HN GLY 52 7.782 8.735 -0.840 427 1HA GLY 52 HA2 GLY 52 5.568 8.846 -2.178 428 2HA GLY 52 HA1 GLY 52 6.659 8.799 -3.554 429 H LEU 53 HN LEU 53 8.495 6.981 -2.074 430 HA LEU 53 HA LEU 53 7.673 4.570 -3.161 431 1HB LEU 53 HB2 LEU 53 9.990 5.199 -2.443 432 2HB LEU 53 HB1 LEU 53 9.507 4.905 -0.787 433 HG LEU 53 HG LEU 53 10.829 3.078 -2.034 434 1HD1 LEU 53 HD11 LEU 53 8.255 2.337 -0.655 435 2HD1 LEU 53 HD12 LEU 53 9.772 2.748 0.147 436 3HD1 LEU 53 HD13 LEU 53 9.671 1.302 -0.857 437 1HD2 LEU 53 HD21 LEU 53 8.080 2.569 -3.160 438 2HD2 LEU 53 HD22 LEU 53 9.483 1.508 -3.316 439 3HD2 LEU 53 HD23 LEU 53 9.491 3.100 -4.076 440 H ALA 54 HN ALA 54 7.303 5.715 0.172 441 HA ALA 54 HA ALA 54 6.180 3.460 1.325 442 1HB ALA 54 HB1 ALA 54 6.857 5.448 2.582 443 2HB ALA 54 HB2 ALA 54 5.200 4.980 2.962 444 3HB ALA 54 HB3 ALA 54 5.506 6.344 1.889 445 H SER 55 HN SER 55 4.552 6.122 -0.361 446 HA SER 55 HA SER 55 1.948 5.074 -0.182 447 1HB SER 55 HB2 SER 55 3.024 6.934 -2.310 448 2HB SER 55 HB1 SER 55 1.358 6.804 -1.740 449 HG SER 55 HG SER 55 1.941 8.347 -0.430 450 H HIS 56 HN HIS 56 4.562 4.624 -2.493 451 HA HIS 56 HA HIS 56 3.031 3.320 -4.485 452 1HB HIS 56 HB2 HIS 56 5.935 3.598 -3.919 453 2HB HIS 56 HB1 HIS 56 5.445 2.243 -4.932 454 HD1 HIS 56 HD1 HIS 56 4.936 2.720 -7.322 455 HD2 HIS 56 HD2 HIS 56 5.157 6.178 -5.020 456 HE1 HIS 56 HE1 HIS 56 4.779 4.629 -8.951 457 HE2 HIS 56 HE2 HIS 56 4.623 6.686 -7.508 458 H LEU 57 HN LEU 57 4.505 2.232 -1.521 459 HA LEU 57 HA LEU 57 4.285 -0.548 -1.964 460 1HB LEU 57 HB2 LEU 57 4.051 0.987 0.638 461 2HB LEU 57 HB1 LEU 57 4.325 -0.739 0.490 462 HG LEU 57 HG LEU 57 6.247 1.312 -0.600 463 1HD1 LEU 57 HD11 LEU 57 6.044 1.637 1.806 464 2HD1 LEU 57 HD12 LEU 57 7.597 0.907 1.399 465 3HD1 LEU 57 HD13 LEU 57 6.306 -0.088 2.072 466 1HD2 LEU 57 HD21 LEU 57 7.810 -0.559 -0.581 467 2HD2 LEU 57 HD22 LEU 57 6.397 -0.933 -1.565 468 3HD2 LEU 57 HD23 LEU 57 6.551 -1.618 0.053 469 H CYS 58 HN CYS 58 2.080 1.877 -0.684 470 HA CYS 58 HA CYS 58 -0.092 0.133 -0.163 471 1HB CYS 58 HB2 CYS 58 0.063 2.400 0.800 472 2HB CYS 58 HB1 CYS 58 -0.129 3.093 -0.812 473 HG CYS 58 HG CYS 58 -2.722 1.517 -0.887 474 H VAL 59 HN VAL 59 0.865 2.010 -2.994 475 HA VAL 59 HA VAL 59 -1.414 1.515 -4.570 476 HB VAL 59 HB VAL 59 1.434 2.079 -5.415 477 1HG1 VAL 59 HG11 VAL 59 -1.092 2.189 -7.065 478 2HG1 VAL 59 HG12 VAL 59 0.198 0.998 -7.234 479 3HG1 VAL 59 HG13 VAL 59 0.512 2.697 -7.595 480 1HG2 VAL 59 HG21 VAL 59 0.608 4.354 -5.775 481 2HG2 VAL 59 HG22 VAL 59 0.425 3.851 -4.094 482 3HG2 VAL 59 HG23 VAL 59 -0.975 3.871 -5.167 483 H ALA 60 HN ALA 60 1.603 -0.289 -4.159 484 HA ALA 60 HA ALA 60 1.115 -2.210 -6.173 485 1HB ALA 60 HB1 ALA 60 2.841 -3.542 -5.072 486 2HB ALA 60 HB2 ALA 60 2.757 -2.497 -3.653 487 3HB ALA 60 HB3 ALA 60 3.334 -1.852 -5.190 488 H ALA 61 HN ALA 61 -0.041 -1.913 -2.869 489 HA ALA 61 HA ALA 61 -1.063 -4.581 -2.771 490 1HB ALA 61 HB1 ALA 61 -0.578 -3.341 -0.733 491 2HB ALA 61 HB2 ALA 61 -2.276 -3.816 -0.797 492 3HB ALA 61 HB3 ALA 61 -1.811 -2.153 -1.153 493 H PHE 62 HN PHE 62 -2.256 -1.414 -3.740 494 HA PHE 62 HA PHE 62 -4.919 -2.118 -4.280 495 1HB PHE 62 HB2 PHE 62 -3.111 -0.047 -5.521 496 2HB PHE 62 HB1 PHE 62 -4.782 -0.256 -6.024 497 HD1 PHE 62 HD1 PHE 62 -6.250 -0.610 -3.604 498 HD2 PHE 62 HD2 PHE 62 -2.918 1.930 -4.356 499 HE1 PHE 62 HE1 PHE 62 -7.007 0.915 -1.823 500 HE2 PHE 62 HE2 PHE 62 -3.675 3.462 -2.580 501 HZ PHE 62 HZ PHE 62 -5.717 2.943 -1.306 502 H GLU 63 HN GLU 63 -2.038 -2.149 -6.349 503 HA GLU 63 HA GLU 63 -3.143 -3.084 -8.711 504 1HB GLU 63 HB2 GLU 63 -0.464 -3.876 -7.541 505 2HB GLU 63 HB1 GLU 63 -0.926 -3.998 -9.233 506 1HG GLU 63 HG2 GLU 63 -1.180 -1.525 -9.268 507 2HG GLU 63 HG1 GLU 63 -0.546 -1.480 -7.629 508 H HIS 64 HN HIS 64 -2.175 -4.839 -5.843 509 HA HIS 64 HA HIS 64 -2.391 -7.439 -6.973 510 1HB HIS 64 HB2 HIS 64 -0.995 -6.769 -4.994 511 2HB HIS 64 HB1 HIS 64 -2.475 -6.652 -4.055 512 HD1 HIS 64 HD1 HIS 64 0.059 -9.020 -5.251 513 HD2 HIS 64 HD2 HIS 64 -3.776 -9.230 -3.649 514 HE1 HIS 64 HE1 HIS 64 -0.237 -11.406 -4.499 515 HE2 HIS 64 HE2 HIS 64 -2.634 -11.554 -3.734 516 H ALA 65 HN ALA 65 -4.488 -5.515 -4.844 517 HA ALA 65 HA ALA 65 -6.479 -7.525 -4.598 518 1HB ALA 65 HB1 ALA 65 -7.855 -5.777 -3.601 519 2HB ALA 65 HB2 ALA 65 -6.687 -4.561 -4.116 520 3HB ALA 65 HB3 ALA 65 -6.225 -5.780 -2.930 521 H SER 66 HN SER 66 -6.391 -4.487 -6.473 522 HA SER 66 HA SER 66 -8.841 -4.680 -7.723 523 1HB SER 66 HB2 SER 66 -6.310 -3.736 -9.093 524 2HB SER 66 HB1 SER 66 -7.964 -3.243 -9.459 525 HG SER 66 HG SER 66 -6.324 -2.562 -7.293 526 H SER 67 HN SER 67 -5.778 -6.119 -8.797 527 HA SER 67 HA SER 67 -6.781 -7.174 -11.221 528 1HB SER 67 HB2 SER 67 -4.379 -6.739 -10.719 529 2HB SER 67 HB1 SER 67 -4.395 -8.106 -9.608 530 HG SER 67 HG SER 67 -5.347 -8.671 -12.143 531 H HIS 68 HN HIS 68 -6.824 -8.354 -7.940 532 HA HIS 68 HA HIS 68 -7.653 -11.015 -8.871 533 1HB HIS 68 HB2 HIS 68 -5.798 -10.636 -7.101 534 2HB HIS 68 HB1 HIS 68 -7.123 -10.275 -6.000 535 HD1 HIS 68 HD1 HIS 68 -8.684 -12.274 -5.324 536 HD2 HIS 68 HD2 HIS 68 -5.482 -13.320 -7.768 537 HE1 HIS 68 HE1 HIS 68 -8.508 -14.773 -5.175 538 HE2 HIS 68 HE2 HIS 68 -6.504 -15.384 -6.576 539 H SER 69 HN SER 69 -9.143 -8.257 -8.445 540 HA SER 69 HA SER 69 -11.257 -7.575 -7.981 541 1HB SER 69 HB2 SER 69 -11.968 -10.516 -7.841 542 2HB SER 69 HB1 SER 69 -13.049 -9.170 -8.206 543 HG SER 69 HG SER 69 -11.869 -8.824 -10.134 544 H ILE 70 HN ILE 70 -9.731 -7.350 -5.848 545 HA ILE 70 HA ILE 70 -11.324 -8.420 -3.613 546 HB ILE 70 HB ILE 70 -8.402 -7.639 -3.481 547 1HG1 ILE 70 HG12 ILE 70 -9.603 -10.413 -3.675 548 2HG1 ILE 70 HG11 ILE 70 -8.709 -9.598 -4.952 549 1HG2 ILE 70 HG21 ILE 70 -10.146 -9.172 -1.555 550 2HG2 ILE 70 HG22 ILE 70 -9.596 -7.509 -1.355 551 3HG2 ILE 70 HG23 ILE 70 -8.428 -8.832 -1.345 552 1HD1 ILE 70 HD11 ILE 70 -7.345 -11.245 -3.778 553 2HD1 ILE 70 HD12 ILE 70 -7.594 -10.371 -2.267 554 3HD1 ILE 70 HD13 ILE 70 -6.703 -9.613 -3.587 555 H SER 71 HN SER 71 -11.679 -7.006 -1.822 556 HA SER 71 HA SER 71 -11.618 -4.170 -2.514 557 1HB SER 71 HB2 SER 71 -12.826 -5.523 -0.082 558 2HB SER 71 HB1 SER 71 -13.131 -3.877 -0.640 559 HG SER 71 HG SER 71 -13.618 -5.606 -2.632 560 H ILE 72 HN ILE 72 -10.989 -2.653 -0.595 561 HA ILE 72 HA ILE 72 -8.740 -3.775 0.922 562 HB ILE 72 HB ILE 72 -8.502 -1.516 -1.080 563 1HG1 ILE 72 HG12 ILE 72 -7.176 -4.201 -0.782 564 2HG1 ILE 72 HG11 ILE 72 -8.100 -3.587 -2.152 565 1HG2 ILE 72 HG21 ILE 72 -6.209 -1.166 -0.307 566 2HG2 ILE 72 HG22 ILE 72 -6.500 -2.280 1.031 567 3HG2 ILE 72 HG23 ILE 72 -7.403 -0.767 0.930 568 1HD1 ILE 72 HD11 ILE 72 -6.329 -1.988 -2.634 569 2HD1 ILE 72 HD12 ILE 72 -5.736 -3.646 -2.658 570 3HD1 ILE 72 HD13 ILE 72 -5.395 -2.607 -1.273 571 H ILE 73 HN ILE 73 -8.112 -2.584 2.705 572 HA ILE 73 HA ILE 73 -9.465 -0.043 3.337 573 HB ILE 73 HB ILE 73 -9.262 -2.456 5.166 574 1HG1 ILE 73 HG12 ILE 73 -11.260 -2.338 3.738 575 2HG1 ILE 73 HG11 ILE 73 -11.670 -2.146 5.442 576 1HG2 ILE 73 HG21 ILE 73 -8.472 -0.520 6.398 577 2HG2 ILE 73 HG22 ILE 73 -10.060 -1.020 6.985 578 3HG2 ILE 73 HG23 ILE 73 -9.914 0.386 5.933 579 1HD1 ILE 73 HD11 ILE 73 -12.943 -0.622 4.044 580 2HD1 ILE 73 HD12 ILE 73 -11.446 0.069 3.417 581 3HD1 ILE 73 HD13 ILE 73 -11.862 0.266 5.120 582 HA PRO 74 HA PRO 74 -5.010 0.280 3.999 583 1HB PRO 74 HB2 PRO 74 -5.005 3.028 3.421 584 2HB PRO 74 HB1 PRO 74 -4.681 1.711 2.294 585 1HG PRO 74 HG2 PRO 74 -6.898 3.464 2.267 586 2HG PRO 74 HG1 PRO 74 -6.667 2.020 1.272 587 1HD PRO 74 HD2 PRO 74 -8.285 2.385 3.732 588 2HD PRO 74 HD1 PRO 74 -8.511 1.252 2.383 589 H SER 75 HN SER 75 -4.788 0.048 6.206 590 HA SER 75 HA SER 75 -5.359 2.127 8.091 591 1HB SER 75 HB2 SER 75 -5.087 -0.257 8.747 592 2HB SER 75 HB1 SER 75 -3.391 -0.179 8.271 593 HG SER 75 HG SER 75 -4.108 1.805 10.013 594 H CYS 76 HN CYS 76 -2.915 1.405 5.847 595 HA CYS 76 HA CYS 76 -0.856 3.136 6.557 596 1HB CYS 76 HB2 CYS 76 -1.728 2.383 3.768 597 2HB CYS 76 HB1 CYS 76 -0.172 3.050 4.235 598 HG CYS 76 HG CYS 76 -0.327 0.144 3.686 599 H SER 77 HN SER 77 -3.601 4.331 6.816 600 HA SER 77 HA SER 77 -4.452 5.940 4.784 601 1HB SER 77 HB2 SER 77 -4.651 6.527 7.738 602 2HB SER 77 HB1 SER 77 -5.692 7.184 6.478 603 HG SER 77 HG SER 77 -5.713 4.564 6.185 604 H TYR 78 HN TYR 78 -1.507 6.583 6.513 605 HA TYR 78 HA TYR 78 -1.263 9.329 6.003 606 1HB TYR 78 HB2 TYR 78 0.734 8.691 6.898 607 2HB TYR 78 HB1 TYR 78 0.585 7.051 6.279 608 HD1 TYR 78 HD1 TYR 78 1.564 10.501 5.329 609 HD2 TYR 78 HD2 TYR 78 1.843 6.363 4.375 610 HE1 TYR 78 HE1 TYR 78 3.312 11.012 3.681 611 HE2 TYR 78 HE2 TYR 78 3.593 6.865 2.718 612 HH TYR 78 HH TYR 78 5.235 9.769 2.603 613 H VAL 79 HN VAL 79 -0.709 6.539 3.894 614 HA VAL 79 HA VAL 79 -0.336 7.953 1.476 615 HB VAL 79 HB VAL 79 -1.470 5.175 1.880 616 1HG1 VAL 79 HG11 VAL 79 -0.697 4.734 -0.390 617 2HG1 VAL 79 HG12 VAL 79 -0.153 6.406 -0.538 618 3HG1 VAL 79 HG13 VAL 79 -1.870 6.051 -0.359 619 1HG2 VAL 79 HG21 VAL 79 0.682 5.370 2.969 620 2HG2 VAL 79 HG22 VAL 79 1.390 6.057 1.507 621 3HG2 VAL 79 HG23 VAL 79 0.829 4.385 1.514 622 H SER 80 HN SER 80 -3.149 6.578 3.077 623 HA SER 80 HA SER 80 -5.011 6.878 1.019 624 1HB SER 80 HB2 SER 80 -5.343 5.543 3.097 625 2HB SER 80 HB1 SER 80 -5.530 7.045 3.997 626 HG SER 80 HG SER 80 -7.185 7.158 1.947 627 H ASP 81 HN ASP 81 -4.046 9.121 3.550 628 HA ASP 81 HA ASP 81 -6.114 11.017 3.149 629 1HB ASP 81 HB2 ASP 81 -4.991 11.014 5.252 630 2HB ASP 81 HB1 ASP 81 -3.406 11.134 4.502 631 H THR 82 HN THR 82 -2.679 11.011 2.151 632 HA THR 82 HA THR 82 -3.119 13.424 0.610 633 HB THR 82 HB THR 82 -1.065 13.356 1.850 634 HG1 THR 82 HG1 THR 82 -0.707 14.459 0.015 635 1HG2 THR 82 HG21 THR 82 -0.720 10.953 2.018 636 2HG2 THR 82 HG22 THR 82 0.722 11.725 1.358 637 3HG2 THR 82 HG23 THR 82 -0.384 10.858 0.290 638 H PHE 83 HN PHE 83 -2.122 10.075 -0.051 639 HA PHE 83 HA PHE 83 -1.568 10.647 -2.788 640 1HB PHE 83 HB2 PHE 83 -0.674 8.779 -1.084 641 2HB PHE 83 HB1 PHE 83 -1.902 7.839 -1.924 642 HD1 PHE 83 HD1 PHE 83 -0.960 6.465 -3.488 643 HD2 PHE 83 HD2 PHE 83 0.575 10.408 -3.036 644 HE1 PHE 83 HE1 PHE 83 0.593 6.063 -5.349 645 HE2 PHE 83 HE2 PHE 83 2.138 10.008 -4.898 646 HZ PHE 83 HZ PHE 83 2.160 7.868 -6.052 647 H LEU 84 HN LEU 84 -4.307 9.200 -1.075 648 HA LEU 84 HA LEU 84 -5.436 8.040 -3.404 649 1HB LEU 84 HB2 LEU 84 -6.380 8.578 -0.657 650 2HB LEU 84 HB1 LEU 84 -7.596 8.265 -1.884 651 HG LEU 84 HG LEU 84 -5.252 6.432 -1.353 652 1HD1 LEU 84 HD11 LEU 84 -6.858 5.008 -0.179 653 2HD1 LEU 84 HD12 LEU 84 -8.082 6.269 -0.337 654 3HD1 LEU 84 HD13 LEU 84 -6.637 6.559 0.631 655 1HD2 LEU 84 HD21 LEU 84 -6.613 4.810 -2.598 656 2HD2 LEU 84 HD22 LEU 84 -6.230 6.226 -3.579 657 3HD2 LEU 84 HD23 LEU 84 -7.837 6.051 -2.873 658 HA PRO 85 HA PRO 85 -7.944 12.230 -3.784 659 1HB PRO 85 HB2 PRO 85 -5.769 13.962 -2.747 660 2HB PRO 85 HB1 PRO 85 -7.520 14.167 -2.625 661 1HG PRO 85 HG2 PRO 85 -6.064 13.403 -0.529 662 2HG PRO 85 HG1 PRO 85 -7.686 12.743 -0.816 663 1HD PRO 85 HD2 PRO 85 -5.012 11.483 -1.268 664 2HD PRO 85 HD1 PRO 85 -6.536 10.751 -0.719 665 H ARG 86 HN ARG 86 -4.443 11.816 -3.896 666 HA ARG 86 HA ARG 86 -4.050 13.399 -6.239 667 1HB ARG 86 HB2 ARG 86 -2.294 11.265 -5.020 668 2HB ARG 86 HB1 ARG 86 -1.805 12.354 -6.312 669 1HG ARG 86 HG2 ARG 86 -2.230 14.263 -4.776 670 2HG ARG 86 HG1 ARG 86 -2.528 13.091 -3.489 671 1HD ARG 86 HD2 ARG 86 -0.257 13.798 -3.300 672 2HD ARG 86 HD1 ARG 86 -0.256 12.149 -3.936 673 HE ARG 86 HE ARG 86 -0.239 13.992 -6.073 674 1HH1 ARG 86 HH11 ARG 86 1.882 12.786 -3.555 675 2HH1 ARG 86 HH12 ARG 86 3.334 13.069 -4.467 676 1HH2 ARG 86 HH21 ARG 86 1.630 14.361 -7.268 677 2HH2 ARG 86 HH22 ARG 86 3.188 13.959 -6.607 678 H ASN 87 HN ASN 87 -4.598 9.956 -5.666 679 HA ASN 87 HA ASN 87 -5.336 9.743 -8.472 680 1HB ASN 87 HB2 ASN 87 -4.082 7.761 -8.948 681 2HB ASN 87 HB1 ASN 87 -2.966 8.962 -8.322 682 1HD2 ASN 87 HD21 ASN 87 -3.429 8.607 -5.558 683 2HD2 ASN 87 HD22 ASN 87 -2.853 7.040 -5.124 684 HA PRO 88 HA PRO 88 -8.422 7.873 -5.700 685 1HB PRO 88 HB2 PRO 88 -10.456 9.287 -7.117 686 2HB PRO 88 HB1 PRO 88 -9.812 9.638 -5.515 687 1HG PRO 88 HG2 PRO 88 -9.499 11.249 -7.742 688 2HG PRO 88 HG1 PRO 88 -8.485 11.304 -6.292 689 1HD PRO 88 HD2 PRO 88 -7.962 9.990 -8.922 690 2HD PRO 88 HD1 PRO 88 -6.841 10.840 -7.835 691 H SER 89 HN SER 89 -7.499 6.155 -7.470 692 HA SER 89 HA SER 89 -9.776 5.454 -9.213 693 1HB SER 89 HB2 SER 89 -6.881 4.599 -9.470 694 2HB SER 89 HB1 SER 89 -8.178 4.265 -10.618 695 HG SER 89 HG SER 89 -8.367 6.704 -10.631 696 H TRP 90 HN TRP 90 -9.249 4.852 -6.299 697 HA TRP 90 HA TRP 90 -9.201 1.914 -6.479 698 1HB TRP 90 HB2 TRP 90 -8.070 3.480 -4.168 699 2HB TRP 90 HB1 TRP 90 -7.844 1.774 -4.542 700 HD1 TRP 90 HD1 TRP 90 -6.110 4.973 -4.830 701 HE1 TRP 90 HE1 TRP 90 -4.154 4.844 -6.494 702 HE3 TRP 90 HE3 TRP 90 -7.296 0.555 -7.118 703 HZ2 TRP 90 HZ2 TRP 90 -3.238 3.094 -8.520 704 HZ3 TRP 90 HZ3 TRP 90 -5.830 -0.272 -8.912 705 HH2 TRP 90 HH2 TRP 90 -3.844 0.972 -9.598 706 H LYS 91 HN LYS 91 -11.238 4.341 -5.924 707 HA LYS 91 HA LYS 91 -12.414 3.868 -3.442 708 1HB LYS 91 HB2 LYS 91 -13.562 4.884 -6.022 709 2HB LYS 91 HB1 LYS 91 -14.547 4.711 -4.576 710 1HG LYS 91 HG2 LYS 91 -12.882 6.181 -3.396 711 2HG LYS 91 HG1 LYS 91 -12.164 6.497 -4.978 712 1HD LYS 91 HD2 LYS 91 -14.268 7.379 -5.792 713 2HD LYS 91 HD1 LYS 91 -15.051 6.989 -4.261 714 1HE LYS 91 HE2 LYS 91 -14.531 9.341 -4.325 715 2HE LYS 91 HE1 LYS 91 -13.520 8.548 -3.118 716 1HZ LYS 91 HZ1 LYS 91 -12.339 10.168 -4.554 717 2HZ LYS 91 HZ2 LYS 91 -12.622 9.148 -5.883 718 3HZ LYS 91 HZ3 LYS 91 -11.668 8.611 -4.585 719 HA PRO 92 HA PRO 92 -15.199 0.488 -5.785 720 1HB PRO 92 HB2 PRO 92 -13.469 -1.040 -7.353 721 2HB PRO 92 HB1 PRO 92 -14.708 0.068 -7.952 722 1HG PRO 92 HG2 PRO 92 -11.783 0.518 -7.577 723 2HG PRO 92 HG1 PRO 92 -12.849 1.077 -8.879 724 1HD PRO 92 HD2 PRO 92 -12.072 2.748 -6.961 725 2HD PRO 92 HD1 PRO 92 -13.737 2.799 -7.578 726 H LEU 93 HN LEU 93 -11.954 0.469 -4.588 727 HA LEU 93 HA LEU 93 -12.226 -2.289 -3.598 728 1HB LEU 93 HB2 LEU 93 -9.803 -0.554 -3.261 729 2HB LEU 93 HB1 LEU 93 -9.904 -2.304 -3.306 730 HG LEU 93 HG LEU 93 -10.417 -0.564 -5.704 731 1HD1 LEU 93 HD11 LEU 93 -8.137 -0.214 -4.890 732 2HD1 LEU 93 HD12 LEU 93 -8.142 -1.119 -6.403 733 3HD1 LEU 93 HD13 LEU 93 -7.870 -1.959 -4.875 734 1HD2 LEU 93 HD21 LEU 93 -9.816 -3.509 -5.405 735 2HD2 LEU 93 HD22 LEU 93 -10.016 -2.649 -6.934 736 3HD2 LEU 93 HD23 LEU 93 -11.378 -2.802 -5.823 737 H ILE 94 HN ILE 94 -11.522 1.003 -2.563 738 HA ILE 94 HA ILE 94 -11.627 0.129 0.247 739 HB ILE 94 HB ILE 94 -10.234 2.064 0.754 740 1HG1 ILE 94 HG12 ILE 94 -10.380 2.581 -2.223 741 2HG1 ILE 94 HG11 ILE 94 -11.022 3.608 -0.945 742 1HG2 ILE 94 HG21 ILE 94 -8.187 1.349 -0.315 743 2HG2 ILE 94 HG22 ILE 94 -9.103 0.497 -1.557 744 3HG2 ILE 94 HG23 ILE 94 -9.164 -0.055 0.117 745 1HD1 ILE 94 HD11 ILE 94 -8.764 4.012 -0.140 746 2HD1 ILE 94 HD12 ILE 94 -8.959 4.498 -1.825 747 3HD1 ILE 94 HD13 ILE 94 -8.128 2.992 -1.429 748 H HIS 95 HN HIS 95 -11.692 2.712 1.315 749 HA HIS 95 HA HIS 95 -14.430 3.472 0.887 750 1HB HIS 95 HB2 HIS 95 -13.765 5.277 2.670 751 2HB HIS 95 HB1 HIS 95 -14.002 3.602 3.130 752 HD1 HIS 95 HD1 HIS 95 -11.641 6.313 3.468 753 HD2 HIS 95 HD2 HIS 95 -11.486 2.159 3.471 754 HE1 HIS 95 HE1 HIS 95 -9.484 5.710 4.606 755 HE2 HIS 95 HE2 HIS 95 -9.583 3.213 4.870 756 H SER 96 HN SER 96 -12.002 6.027 1.375 757 HA SER 96 HA SER 96 -11.934 6.626 -1.456 758 1HB SER 96 HB2 SER 96 -13.264 8.545 0.475 759 2HB SER 96 HB1 SER 96 -12.819 8.933 -1.185 760 HG SER 96 HG SER 96 -14.267 6.650 -1.087 761 H GLU 97 HN GLU 97 -11.380 8.185 1.700 762 HA GLU 97 HA GLU 97 -8.591 8.646 1.015 763 1HB GLU 97 HB2 GLU 97 -9.891 10.622 0.190 764 2HB GLU 97 HB1 GLU 97 -10.475 10.887 1.830 765 1HG GLU 97 HG2 GLU 97 -7.965 11.048 2.431 766 2HG GLU 97 HG1 GLU 97 -7.735 11.280 0.697 767 H VAL 98 HN VAL 98 -8.370 10.461 3.400 768 HA VAL 98 HA VAL 98 -7.946 8.413 5.281 769 HB VAL 98 HB VAL 98 -6.620 10.467 5.286 770 1HG1 VAL 98 HG11 VAL 98 -9.105 11.825 6.310 771 2HG1 VAL 98 HG12 VAL 98 -8.336 12.086 4.743 772 3HG1 VAL 98 HG13 VAL 98 -7.495 12.544 6.223 773 1HG2 VAL 98 HG21 VAL 98 -6.668 9.134 7.309 774 2HG2 VAL 98 HG22 VAL 98 -8.100 9.995 7.870 775 3HG2 VAL 98 HG23 VAL 98 -6.565 10.847 7.715 776 H PHE 99 HN PHE 99 -10.789 10.337 4.620 777 HA PHE 99 HA PHE 99 -12.322 8.684 6.365 778 1HB PHE 99 HB2 PHE 99 -11.335 10.253 8.022 779 2HB PHE 99 HB1 PHE 99 -12.106 11.590 7.176 780 HD1 PHE 99 HD1 PHE 99 -12.760 8.505 9.095 781 HD2 PHE 99 HD2 PHE 99 -14.367 12.139 7.574 782 HE1 PHE 99 HE1 PHE 99 -14.794 8.165 10.436 783 HE2 PHE 99 HE2 PHE 99 -16.401 11.808 8.915 784 HZ PHE 99 HZ PHE 99 -16.617 9.815 10.346 785 H LYS 100 HN LYS 100 -12.117 11.416 4.182 786 HA LYS 100 HA LYS 100 -14.915 11.986 4.252 787 1HB LYS 100 HB2 LYS 100 -14.490 13.538 2.425 788 2HB LYS 100 HB1 LYS 100 -13.295 13.725 3.694 789 1HG LYS 100 HG2 LYS 100 -11.947 13.834 1.876 790 2HG LYS 100 HG1 LYS 100 -11.910 12.093 2.151 791 1HD LYS 100 HD2 LYS 100 -13.632 11.770 0.461 792 2HD LYS 100 HD1 LYS 100 -13.745 13.514 0.218 793 1HE LYS 100 HE2 LYS 100 -11.241 11.897 -0.233 794 2HE LYS 100 HE1 LYS 100 -12.393 12.312 -1.504 795 1HZ LYS 100 HZ1 LYS 100 -11.757 14.484 -1.504 796 2HZ LYS 100 HZ2 LYS 100 -10.290 13.783 -1.019 797 3HZ LYS 100 HZ3 LYS 100 -11.307 14.488 0.134 798 H SER 101 HN SER 101 -16.517 11.554 2.812 799 HA SER 101 HA SER 101 -17.628 10.731 1.021 800 1HB SER 101 HB2 SER 101 -14.855 10.076 0.041 801 2HB SER 101 HB1 SER 101 -16.320 9.769 -0.905 802 HG SER 101 HG SER 101 -16.582 12.220 -0.121 803 H SER 102 HN SER 102 -16.361 9.016 3.375 804 HA SER 102 HA SER 102 -17.583 6.556 2.327 805 1HB SER 102 HB2 SER 102 -16.191 5.433 4.210 806 2HB SER 102 HB1 SER 102 -15.381 5.896 2.715 807 HG SER 102 HG SER 102 -15.189 6.991 5.281 808 H ILE 103 HN ILE 103 -19.566 6.420 3.076 809 HA ILE 103 HA ILE 103 -20.039 6.704 5.928 810 HB ILE 103 HB ILE 103 -20.522 8.931 5.263 811 1HG1 ILE 103 HG12 ILE 103 -23.118 7.390 5.430 812 2HG1 ILE 103 HG11 ILE 103 -22.153 7.942 6.794 813 1HG2 ILE 103 HG21 ILE 103 -22.077 9.508 3.451 814 2HG2 ILE 103 HG22 ILE 103 -22.192 7.800 3.028 815 3HG2 ILE 103 HG23 ILE 103 -20.652 8.644 2.873 816 1HD1 ILE 103 HD11 ILE 103 -24.081 9.373 6.425 817 2HD1 ILE 103 HD12 ILE 103 -23.527 9.712 4.786 818 3HD1 ILE 103 HD13 ILE 103 -22.575 10.253 6.169
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