NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623958 | 5oay | 34153 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 12.185 6.241 15.264 2 H2 MET 1 HT2 MET 1 10.701 6.024 16.044 3 H3 MET 1 HT3 MET 1 10.805 7.034 14.692 4 HA MET 1 HA MET 1 11.392 5.146 13.303 5 HB2 MET 1 HB2 MET 1 10.820 3.565 15.817 6 HB3 MET 1 HB1 MET 1 11.109 2.876 14.226 7 HG2 MET 1 HG2 MET 1 13.075 4.486 15.838 8 HG3 MET 1 HG1 MET 1 13.086 2.736 15.629 9 HE1 MET 1 HE1 MET 1 16.204 3.888 13.550 10 HE2 MET 1 HE2 MET 1 15.625 2.841 14.846 11 HE3 MET 1 HE3 MET 1 15.617 4.592 15.057 12 H ASP 2 HN ASP 2 8.925 5.279 15.849 13 HA ASP 2 HA ASP 2 6.850 4.030 14.467 14 HB2 ASP 2 HB2 ASP 2 6.766 4.546 16.870 15 HB3 ASP 2 HB1 ASP 2 6.670 6.265 16.501 16 H TRP 3 HN TRP 3 7.688 7.487 14.642 17 HA TRP 3 HA TRP 3 5.587 8.320 12.924 18 HB2 TRP 3 HB2 TRP 3 7.270 10.362 12.634 19 HB3 TRP 3 HB1 TRP 3 6.337 10.132 14.108 20 HD1 TRP 3 HD1 TRP 3 9.761 8.702 12.933 21 HE1 TRP 3 HE1 TRP 3 11.435 9.020 14.855 22 HE3 TRP 3 HE3 TRP 3 6.710 11.052 16.294 23 HZ2 TRP 3 HZ2 TRP 3 11.471 10.130 17.451 24 HZ3 TRP 3 HZ3 TRP 3 7.642 11.712 18.473 25 HH2 TRP 3 HH2 TRP 3 9.974 11.259 19.039 26 H ARG 4 HN ARG 4 8.803 7.111 12.384 27 HA ARG 4 HA ARG 4 9.038 7.952 9.674 28 HB2 ARG 4 HB2 ARG 4 11.001 7.351 11.016 29 HB3 ARG 4 HB1 ARG 4 10.418 5.697 11.145 30 HG2 ARG 4 HG2 ARG 4 12.176 5.872 9.485 31 HG3 ARG 4 HG1 ARG 4 10.646 5.422 8.731 32 HD2 ARG 4 HD2 ARG 4 10.300 7.749 8.054 33 HD3 ARG 4 HD1 ARG 4 11.830 8.196 8.808 34 HE ARG 4 HE ARG 4 12.324 6.154 6.963 35 HH11 ARG 4 HH11 ARG 4 11.305 9.492 7.001 36 HH12 ARG 4 HH12 ARG 4 11.966 9.841 5.438 37 HH21 ARG 4 HH21 ARG 4 13.193 6.612 4.909 38 HH22 ARG 4 HH22 ARG 4 13.037 8.206 4.250 39 H HIS 5 HN HIS 5 7.914 5.007 11.267 40 HA HIS 5 HA HIS 5 7.521 3.467 8.941 41 HB2 HIS 5 HB2 HIS 5 6.051 3.335 11.581 42 HB3 HIS 5 HB1 HIS 5 6.069 2.074 10.352 43 HD1 HIS 5 HD1 HIS 5 6.986 0.984 12.842 44 HD2 HIS 5 HD2 HIS 5 9.587 3.177 10.456 45 HE1 HIS 5 HE1 HIS 5 9.296 0.312 13.572 46 HE2 HIS 5 HE2 HIS 5 10.853 1.711 12.170 47 H LYS 6 HN LYS 6 5.526 5.836 10.613 48 HA LYS 6 HA LYS 6 3.330 5.338 8.758 49 HB2 LYS 6 HB2 LYS 6 3.558 7.323 11.035 50 HB3 LYS 6 HB1 LYS 6 2.105 7.010 10.096 51 HG2 LYS 6 HG2 LYS 6 2.052 4.718 10.924 52 HG3 LYS 6 HG1 LYS 6 3.519 5.021 11.858 53 HD2 LYS 6 HD2 LYS 6 2.389 6.654 13.210 54 HD3 LYS 6 HD1 LYS 6 0.947 6.558 12.197 55 HE2 LYS 6 HE2 LYS 6 0.623 5.300 14.247 56 HE3 LYS 6 HE1 LYS 6 0.653 4.215 12.858 57 HZ1 LYS 6 HZ1 LYS 6 2.890 4.704 14.746 58 HZ2 LYS 6 HZ2 LYS 6 2.978 3.715 13.377 59 HZ3 LYS 6 HZ3 LYS 6 1.947 3.303 14.653 60 H ALA 7 HN ALA 7 6.151 7.007 8.879 61 HA ALA 7 HA ALA 7 5.450 9.445 7.604 62 HB1 ALA 7 HB1 ALA 7 8.107 8.010 7.462 63 HB2 ALA 7 HB2 ALA 7 7.626 9.055 8.796 64 HB3 ALA 7 HB3 ALA 7 7.802 9.721 7.175 65 H VAL 8 HN VAL 8 6.604 6.281 6.592 66 HA VAL 8 HA VAL 8 6.349 6.896 3.810 67 HB VAL 8 HB VAL 8 6.487 4.089 4.879 68 HG11 VAL 8 HG11 VAL 8 7.710 3.686 2.821 69 HG12 VAL 8 HG12 VAL 8 7.664 5.405 2.429 70 HG13 VAL 8 HG13 VAL 8 6.170 4.468 2.462 71 HG21 VAL 8 HG21 VAL 8 8.970 4.314 4.841 72 HG22 VAL 8 HG22 VAL 8 8.198 5.252 6.118 73 HG23 VAL 8 HG23 VAL 8 8.769 6.057 4.657 74 H CYS 9 HN CYS 9 4.279 5.829 6.372 75 HA CYS 9 HA CYS 9 2.250 4.476 5.051 76 HB2 CYS 9 HB2 CYS 9 2.394 6.167 7.446 77 HB3 CYS 9 HB1 CYS 9 0.830 6.221 6.671 78 H ARG 10 HN ARG 10 2.081 7.939 5.808 79 HA ARG 10 HA ARG 10 0.190 8.483 3.758 80 HB2 ARG 10 HB2 ARG 10 1.765 10.196 5.645 81 HB3 ARG 10 HB1 ARG 10 0.814 10.927 4.360 82 HG2 ARG 10 HG2 ARG 10 -0.550 10.950 6.272 83 HG3 ARG 10 HG1 ARG 10 -1.163 9.641 5.260 84 HD2 ARG 10 HD2 ARG 10 -1.083 8.906 7.551 85 HD3 ARG 10 HD1 ARG 10 0.134 8.037 6.617 86 HE ARG 10 HE ARG 10 1.546 10.088 7.620 87 HH11 ARG 10 HH11 ARG 10 -0.630 7.804 9.115 88 HH12 ARG 10 HH12 ARG 10 0.176 7.850 10.646 89 HH21 ARG 10 HH21 ARG 10 2.607 10.147 9.633 90 HH22 ARG 10 HH22 ARG 10 2.013 9.179 10.941 91 H ASP 11 HN ASP 11 3.626 8.415 3.781 92 HA ASP 11 HA ASP 11 3.927 10.191 1.523 93 HB2 ASP 11 HB2 ASP 11 5.875 8.557 3.121 94 HB3 ASP 11 HB1 ASP 11 6.355 9.402 1.657 95 H GLU 12 HN GLU 12 2.595 7.306 1.474 96 HA GLU 12 HA GLU 12 4.221 6.019 -0.528 97 HB2 GLU 12 HB2 GLU 12 2.501 4.293 -0.507 98 HB3 GLU 12 HB1 GLU 12 2.948 4.713 1.137 99 HG2 GLU 12 HG2 GLU 12 0.941 6.173 1.248 100 HG3 GLU 12 HG1 GLU 12 0.469 5.566 -0.336 101 H ASP 13 HN ASP 13 1.528 5.202 -1.882 102 HA ASP 13 HA ASP 13 1.444 7.565 -3.627 103 HB2 ASP 13 HB2 ASP 13 2.348 5.632 -4.809 104 HB3 ASP 13 HB1 ASP 13 0.958 4.654 -4.358 105 HA PRO 14 HA PRO 14 -2.743 8.115 -2.162 106 HB2 PRO 14 HB2 PRO 14 -3.535 9.568 -4.425 107 HB3 PRO 14 HB1 PRO 14 -2.883 10.252 -2.934 108 HG2 PRO 14 HG2 PRO 14 -1.510 9.669 -5.512 109 HG3 PRO 14 HG1 PRO 14 -1.245 10.999 -4.371 110 HD2 PRO 14 HD2 PRO 14 0.450 8.931 -4.521 111 HD3 PRO 14 HD1 PRO 14 0.065 9.695 -2.965 112 H GLU 15 HN GLU 15 -1.722 6.883 -5.246 113 HA GLU 15 HA GLU 15 -4.234 5.954 -6.149 114 HB2 GLU 15 HB2 GLU 15 -1.456 4.951 -6.872 115 HB3 GLU 15 HB1 GLU 15 -2.936 4.651 -7.772 116 HG2 GLU 15 HG2 GLU 15 -1.666 7.340 -7.328 117 HG3 GLU 15 HG1 GLU 15 -1.599 6.389 -8.811 118 H LEU 16 HN LEU 16 -2.019 4.798 -3.774 119 HA LEU 16 HA LEU 16 -2.930 2.069 -3.824 120 HB2 LEU 16 HB2 LEU 16 -1.473 3.462 -1.571 121 HB3 LEU 16 HB1 LEU 16 -1.586 1.734 -1.848 122 HG LEU 16 HG LEU 16 0.254 3.702 -3.006 123 HD11 LEU 16 HD11 LEU 16 0.283 0.722 -2.602 124 HD12 LEU 16 HD12 LEU 16 1.200 1.945 -1.725 125 HD13 LEU 16 HD13 LEU 16 1.588 1.594 -3.422 126 HD21 LEU 16 HD21 LEU 16 -0.859 3.467 -5.027 127 HD22 LEU 16 HD22 LEU 16 -1.242 1.780 -4.718 128 HD23 LEU 16 HD23 LEU 16 0.412 2.246 -5.092 129 H PHE 17 HN PHE 17 -3.915 5.018 -2.329 130 HA PHE 17 HA PHE 17 -5.787 3.613 -0.575 131 HB2 PHE 17 HB2 PHE 17 -5.066 6.545 -0.784 132 HB3 PHE 17 HB1 PHE 17 -6.258 5.891 0.334 133 HD1 PHE 17 HD1 PHE 17 -2.903 6.824 -0.066 134 HD2 PHE 17 HD2 PHE 17 -5.380 3.969 1.889 135 HE1 PHE 17 HE1 PHE 17 -1.123 6.415 1.583 136 HE2 PHE 17 HE2 PHE 17 -3.605 3.554 3.542 137 HZ PHE 17 HZ PHE 17 -1.473 4.779 3.390 138 H PHE 18 HN PHE 18 -5.640 4.928 -3.670 139 HA PHE 18 HA PHE 18 -8.575 5.068 -3.780 140 HB2 PHE 18 HB2 PHE 18 -6.607 6.977 -5.045 141 HB3 PHE 18 HB1 PHE 18 -8.302 6.886 -5.512 142 HD1 PHE 18 HD1 PHE 18 -6.203 7.273 -2.453 143 HD2 PHE 18 HD2 PHE 18 -9.787 8.311 -4.498 144 HE1 PHE 18 HE1 PHE 18 -6.780 8.834 -0.641 145 HE2 PHE 18 HE2 PHE 18 -10.371 9.874 -2.690 146 HZ PHE 18 HZ PHE 18 -8.866 10.138 -0.758 147 HA PRO 19 HA PRO 19 -7.915 1.941 -6.896 148 HB2 PRO 19 HB2 PRO 19 -10.622 2.740 -7.798 149 HB3 PRO 19 HB1 PRO 19 -10.020 1.151 -7.317 150 HG2 PRO 19 HG2 PRO 19 -11.650 2.548 -5.728 151 HG3 PRO 19 HG1 PRO 19 -10.330 1.568 -5.063 152 HD2 PRO 19 HD2 PRO 19 -10.491 4.530 -5.439 153 HD3 PRO 19 HD1 PRO 19 -9.783 3.597 -4.104 154 H VAL 20 HN VAL 20 -7.018 2.057 -8.879 155 HA VAL 20 HA VAL 20 -6.685 4.509 -10.214 156 HB VAL 20 HB VAL 20 -6.287 1.712 -11.283 157 HG11 VAL 20 HG11 VAL 20 -4.719 2.804 -12.863 158 HG12 VAL 20 HG12 VAL 20 -5.281 4.373 -12.283 159 HG13 VAL 20 HG13 VAL 20 -6.399 3.284 -13.104 160 HG21 VAL 20 HG21 VAL 20 -4.353 3.608 -9.962 161 HG22 VAL 20 HG22 VAL 20 -3.934 2.056 -10.687 162 HG23 VAL 20 HG23 VAL 20 -4.988 2.114 -9.274 163 H GLY 21 HN GLY 21 -7.415 5.154 -12.291 164 HA2 GLY 21 HA2 GLY 21 -10.175 4.343 -12.791 165 HA3 GLY 21 HA1 GLY 21 -9.376 5.765 -13.444 166 H ASN 22 HN ASN 22 -8.379 5.651 -15.408 167 HA ASN 22 HA ASN 22 -8.385 3.024 -16.736 168 HB2 ASN 22 HB2 ASN 22 -8.992 5.685 -18.036 169 HB3 ASN 22 HB1 ASN 22 -9.028 4.107 -18.815 170 HD21 ASN 22 HD21 ASN 22 -10.273 2.746 -16.597 171 HD22 ASN 22 HD22 ASN 22 -11.917 3.269 -16.554 172 H SER 23 HN SER 23 -6.209 4.798 -15.380 173 HA SER 23 HA SER 23 -4.497 5.209 -17.725 174 HB2 SER 23 HB2 SER 23 -3.031 6.458 -16.179 175 HB3 SER 23 HB1 SER 23 -4.676 7.102 -16.190 176 HG SER 23 HG SER 23 -4.438 6.878 -14.099 177 H GLY 24 HN GLY 24 -2.352 4.485 -17.764 178 HA2 GLY 24 HA2 GLY 24 -1.971 1.903 -16.486 179 HA3 GLY 24 HA1 GLY 24 -0.986 2.580 -17.775 180 HA PRO 25 HA PRO 25 1.949 4.613 -15.109 181 HB2 PRO 25 HB2 PRO 25 0.304 7.082 -14.749 182 HB3 PRO 25 HB1 PRO 25 2.014 6.926 -15.175 183 HG2 PRO 25 HG2 PRO 25 0.216 7.525 -17.036 184 HG3 PRO 25 HG1 PRO 25 1.549 6.410 -17.391 185 HD2 PRO 25 HD2 PRO 25 -1.328 5.825 -16.879 186 HD3 PRO 25 HD1 PRO 25 -0.191 5.015 -17.974 187 H ALA 26 HN ALA 26 -1.388 4.760 -14.128 188 HA ALA 26 HA ALA 26 -0.994 5.384 -11.407 189 HB1 ALA 26 HB1 ALA 26 -3.199 5.092 -11.199 190 HB2 ALA 26 HB2 ALA 26 -3.141 3.462 -11.875 191 HB3 ALA 26 HB3 ALA 26 -3.206 4.866 -12.952 192 H LEU 27 HN LEU 27 -0.767 2.414 -13.192 193 HA LEU 27 HA LEU 27 -0.565 0.679 -10.941 194 HB2 LEU 27 HB2 LEU 27 0.387 0.346 -13.781 195 HB3 LEU 27 HB1 LEU 27 0.337 -0.937 -12.590 196 HG LEU 27 HG LEU 27 -1.600 -1.378 -13.728 197 HD11 LEU 27 HD11 LEU 27 -2.783 0.730 -11.963 198 HD12 LEU 27 HD12 LEU 27 -2.022 -0.705 -11.282 199 HD13 LEU 27 HD13 LEU 27 -3.408 -0.872 -12.360 200 HD21 LEU 27 HD21 LEU 27 -1.287 0.609 -15.217 201 HD22 LEU 27 HD22 LEU 27 -2.188 1.558 -14.035 202 HD23 LEU 27 HD23 LEU 27 -2.965 0.206 -14.859 203 H ALA 28 HN ALA 28 1.732 2.323 -13.031 204 HA ALA 28 HA ALA 28 4.037 1.218 -11.782 205 HB1 ALA 28 HB1 ALA 28 3.771 3.751 -13.401 206 HB2 ALA 28 HB2 ALA 28 4.124 2.149 -14.048 207 HB3 ALA 28 HB3 ALA 28 5.284 2.946 -12.984 208 H GLN 29 HN GLN 29 2.012 3.984 -11.274 209 HA GLN 29 HA GLN 29 3.722 5.333 -9.406 210 HB2 GLN 29 HB2 GLN 29 1.765 6.316 -10.749 211 HB3 GLN 29 HB1 GLN 29 0.701 5.556 -9.572 212 HG2 GLN 29 HG2 GLN 29 0.993 7.831 -8.945 213 HG3 GLN 29 HG1 GLN 29 1.883 6.841 -7.791 214 HE21 GLN 29 HE21 GLN 29 3.223 8.534 -7.200 215 HE22 GLN 29 HE22 GLN 29 4.471 9.129 -8.236 216 H ILE 30 HN ILE 30 0.767 3.418 -9.091 217 HA ILE 30 HA ILE 30 0.736 3.117 -6.380 218 HB ILE 30 HB ILE 30 -0.250 1.358 -8.604 219 HG12 ILE 30 HG12 ILE 30 -1.686 3.089 -6.593 220 HG13 ILE 30 HG11 ILE 30 -1.381 3.506 -8.272 221 HG21 ILE 30 HG21 ILE 30 0.009 0.709 -5.789 222 HG22 ILE 30 HG22 ILE 30 -0.325 -0.334 -7.181 223 HG23 ILE 30 HG23 ILE 30 -1.640 0.542 -6.395 224 HD11 ILE 30 HD11 ILE 30 -3.084 1.233 -7.295 225 HD12 ILE 30 HD12 ILE 30 -2.788 1.655 -8.982 226 HD13 ILE 30 HD13 ILE 30 -3.662 2.771 -7.933 227 H ALA 31 HN ALA 31 2.355 1.196 -8.800 228 HA ALA 31 HA ALA 31 3.200 -0.919 -7.172 229 HB1 ALA 31 HB1 ALA 31 4.822 -1.399 -8.928 230 HB2 ALA 31 HB2 ALA 31 4.539 0.191 -9.637 231 HB3 ALA 31 HB3 ALA 31 3.247 -1.009 -9.618 232 H ASP 32 HN ASP 32 4.401 2.304 -7.585 233 HA ASP 32 HA ASP 32 7.025 1.756 -6.559 234 HB2 ASP 32 HB2 ASP 32 5.553 4.363 -6.992 235 HB3 ASP 32 HB1 ASP 32 7.217 4.258 -6.426 236 H ALA 33 HN ALA 33 4.019 3.070 -5.365 237 HA ALA 33 HA ALA 33 4.995 3.576 -2.746 238 HB1 ALA 33 HB1 ALA 33 3.084 4.758 -3.242 239 HB2 ALA 33 HB2 ALA 33 2.463 3.467 -2.218 240 HB3 ALA 33 HB3 ALA 33 2.281 3.372 -3.970 241 H LYS 34 HN LYS 34 3.569 0.837 -4.384 242 HA LYS 34 HA LYS 34 2.989 -0.790 -2.194 243 HB2 LYS 34 HB2 LYS 34 2.393 -1.131 -4.659 244 HB3 LYS 34 HB1 LYS 34 3.997 -1.826 -4.836 245 HG2 LYS 34 HG2 LYS 34 2.591 -2.992 -2.599 246 HG3 LYS 34 HG1 LYS 34 1.669 -3.143 -4.095 247 HD2 LYS 34 HD2 LYS 34 3.051 -5.079 -3.888 248 HD3 LYS 34 HD1 LYS 34 3.720 -4.076 -5.175 249 HE2 LYS 34 HE2 LYS 34 5.487 -3.325 -3.800 250 HE3 LYS 34 HE1 LYS 34 4.717 -3.949 -2.341 251 HZ1 LYS 34 HZ1 LYS 34 5.012 -6.209 -3.296 252 HZ2 LYS 34 HZ2 LYS 34 6.466 -5.420 -2.944 253 HZ3 LYS 34 HZ3 LYS 34 5.928 -5.525 -4.545 254 H LEU 35 HN LEU 35 6.030 -0.491 -4.069 255 HA LEU 35 HA LEU 35 7.341 -2.555 -2.575 256 HB2 LEU 35 HB2 LEU 35 8.299 -0.442 -4.478 257 HB3 LEU 35 HB1 LEU 35 9.440 -1.433 -3.590 258 HG LEU 35 HG LEU 35 9.171 -2.408 -5.743 259 HD11 LEU 35 HD11 LEU 35 8.402 -4.619 -5.205 260 HD12 LEU 35 HD12 LEU 35 7.478 -4.006 -3.834 261 HD13 LEU 35 HD13 LEU 35 9.240 -3.950 -3.805 262 HD21 LEU 35 HD21 LEU 35 7.194 -1.483 -6.567 263 HD22 LEU 35 HD22 LEU 35 6.244 -2.071 -5.206 264 HD23 LEU 35 HD23 LEU 35 6.839 -3.204 -6.421 265 H VAL 36 HN VAL 36 7.373 0.955 -2.472 266 HA VAL 36 HA VAL 36 9.320 1.158 -0.407 267 HB VAL 36 HB VAL 36 7.224 3.183 -1.203 268 HG11 VAL 36 HG11 VAL 36 9.858 3.593 0.207 269 HG12 VAL 36 HG12 VAL 36 8.284 3.580 0.998 270 HG13 VAL 36 HG13 VAL 36 8.662 4.829 -0.187 271 HG21 VAL 36 HG21 VAL 36 8.673 2.425 -3.070 272 HG22 VAL 36 HG22 VAL 36 10.081 2.939 -2.140 273 HG23 VAL 36 HG23 VAL 36 8.888 4.127 -2.665 274 H CYS 37 HN CYS 37 5.810 0.968 -0.392 275 HA CYS 37 HA CYS 37 5.567 1.516 2.426 276 HB2 CYS 37 HB2 CYS 37 3.762 2.212 1.034 277 HB3 CYS 37 HB1 CYS 37 3.626 0.624 0.297 278 H ASN 38 HN ASN 38 5.864 -1.321 0.415 279 HA ASN 38 HA ASN 38 4.966 -3.135 2.465 280 HB2 ASN 38 HB2 ASN 38 6.187 -3.542 -0.256 281 HB3 ASN 38 HB1 ASN 38 5.849 -4.885 0.832 282 HD21 ASN 38 HD21 ASN 38 4.338 -5.776 -0.552 283 HD22 ASN 38 HD22 ASN 38 2.778 -5.075 -0.797 284 H ARG 39 HN ARG 39 8.063 -1.884 1.383 285 HA ARG 39 HA ARG 39 9.524 -3.886 2.897 286 HB2 ARG 39 HB2 ARG 39 10.482 -1.461 1.371 287 HB3 ARG 39 HB1 ARG 39 11.534 -2.645 2.135 288 HG2 ARG 39 HG2 ARG 39 10.651 -4.385 0.672 289 HG3 ARG 39 HG1 ARG 39 9.578 -3.207 -0.086 290 HD2 ARG 39 HD2 ARG 39 12.594 -3.118 -0.084 291 HD3 ARG 39 HD1 ARG 39 11.575 -3.597 -1.441 292 HE ARG 39 HE ARG 39 10.806 -1.036 -0.621 293 HH11 ARG 39 HH11 ARG 39 13.530 -2.635 -2.105 294 HH12 ARG 39 HH12 ARG 39 14.036 -1.230 -2.982 295 HH21 ARG 39 HH21 ARG 39 11.471 0.813 -1.773 296 HH22 ARG 39 HH22 ARG 39 12.868 0.727 -2.793 297 H CYS 40 HN CYS 40 7.969 -1.034 3.665 298 HA CYS 40 HA CYS 40 9.844 -0.026 5.584 299 HB2 CYS 40 HB2 CYS 40 8.545 1.746 5.101 300 HB3 CYS 40 HB1 CYS 40 7.222 0.736 4.539 301 HA PRO 41 HA PRO 41 9.169 -2.508 9.155 302 HB2 PRO 41 HB2 PRO 41 8.572 0.062 10.560 303 HB3 PRO 41 HB1 PRO 41 9.682 -1.238 11.017 304 HG2 PRO 41 HG2 PRO 41 10.642 0.995 9.971 305 HG3 PRO 41 HG1 PRO 41 11.298 -0.574 9.471 306 HD2 PRO 41 HD2 PRO 41 9.413 1.241 8.025 307 HD3 PRO 41 HD1 PRO 41 10.735 0.244 7.383 308 H VAL 42 HN VAL 42 7.521 -2.348 11.247 309 HA VAL 42 HA VAL 42 4.839 -2.183 10.033 310 HB VAL 42 HB VAL 42 5.512 -4.489 10.509 311 HG11 VAL 42 HG11 VAL 42 5.701 -3.572 13.376 312 HG12 VAL 42 HG12 VAL 42 7.044 -4.079 12.352 313 HG13 VAL 42 HG13 VAL 42 5.806 -5.244 12.823 314 HG21 VAL 42 HG21 VAL 42 3.160 -3.939 10.631 315 HG22 VAL 42 HG22 VAL 42 3.335 -3.438 12.313 316 HG23 VAL 42 HG23 VAL 42 3.556 -5.131 11.870 317 H THR 43 HN THR 43 3.149 -1.363 11.196 318 HA THR 43 HA THR 43 3.706 -0.174 13.832 319 HB THR 43 HB THR 43 2.403 1.811 13.228 320 HG1 THR 43 HG1 THR 43 1.806 2.125 11.048 321 HG21 THR 43 HG21 THR 43 4.780 1.984 12.984 322 HG22 THR 43 HG22 THR 43 3.999 2.836 11.652 323 HG23 THR 43 HG23 THR 43 4.707 1.243 11.386 324 H THR 44 HN THR 44 1.635 0.565 14.890 325 HA THR 44 HA THR 44 -0.173 -1.542 15.141 326 HB THR 44 HB THR 44 -0.698 1.378 15.759 327 HG1 THR 44 HG1 THR 44 1.149 0.608 16.854 328 HG21 THR 44 HG21 THR 44 -2.302 0.505 17.399 329 HG22 THR 44 HG22 THR 44 -1.969 -1.137 16.850 330 HG23 THR 44 HG23 THR 44 -2.732 0.019 15.759 331 H GLU 45 HN GLU 45 -0.018 1.145 12.925 332 HA GLU 45 HA GLU 45 -2.720 1.038 12.017 333 HB2 GLU 45 HB2 GLU 45 -0.185 2.176 10.854 334 HB3 GLU 45 HB1 GLU 45 -1.702 2.212 9.965 335 HG2 GLU 45 HG2 GLU 45 -2.724 3.438 11.861 336 HG3 GLU 45 HG1 GLU 45 -1.137 3.497 12.625 337 H CYS 46 HN CYS 46 0.261 -0.536 11.095 338 HA CYS 46 HA CYS 46 -0.669 -1.706 8.693 339 HB2 CYS 46 HB2 CYS 46 1.746 -1.530 10.088 340 HB3 CYS 46 HB1 CYS 46 1.397 -3.252 10.009 341 H LEU 47 HN LEU 47 -0.427 -2.932 12.027 342 HA LEU 47 HA LEU 47 -1.416 -5.524 11.412 343 HB2 LEU 47 HB2 LEU 47 -1.300 -4.002 14.014 344 HB3 LEU 47 HB1 LEU 47 -1.839 -5.665 13.890 345 HG LEU 47 HG LEU 47 0.412 -5.736 14.617 346 HD11 LEU 47 HD11 LEU 47 1.538 -6.926 12.828 347 HD12 LEU 47 HD12 LEU 47 0.410 -6.256 11.649 348 HD13 LEU 47 HD13 LEU 47 -0.168 -7.371 12.887 349 HD21 LEU 47 HD21 LEU 47 1.170 -3.987 12.287 350 HD22 LEU 47 HD22 LEU 47 2.226 -4.575 13.571 351 HD23 LEU 47 HD23 LEU 47 0.953 -3.411 13.939 352 H SER 48 HN SER 48 -2.923 -2.613 12.743 353 HA SER 48 HA SER 48 -5.496 -3.669 13.084 354 HB2 SER 48 HB2 SER 48 -4.810 -1.559 14.115 355 HB3 SER 48 HB1 SER 48 -4.677 -0.813 12.523 356 HG SER 48 HG SER 48 -6.885 -1.254 14.064 357 H TRP 49 HN TRP 49 -3.906 -2.294 10.312 358 HA TRP 49 HA TRP 49 -6.215 -2.015 8.684 359 HB2 TRP 49 HB2 TRP 49 -4.110 -0.815 8.224 360 HB3 TRP 49 HB1 TRP 49 -3.322 -2.346 7.856 361 HD1 TRP 49 HD1 TRP 49 -3.739 -3.395 5.476 362 HE1 TRP 49 HE1 TRP 49 -4.871 -2.518 3.337 363 HE3 TRP 49 HE3 TRP 49 -6.099 0.700 7.426 364 HZ2 TRP 49 HZ2 TRP 49 -6.544 -0.374 2.578 365 HZ3 TRP 49 HZ3 TRP 49 -7.445 2.111 5.927 366 HH2 TRP 49 HH2 TRP 49 -7.661 1.584 3.553 367 H ALA 50 HN ALA 50 -3.740 -4.538 8.969 368 HA ALA 50 HA ALA 50 -4.686 -6.230 6.948 369 HB1 ALA 50 HB1 ALA 50 -2.481 -6.467 7.989 370 HB2 ALA 50 HB2 ALA 50 -3.387 -7.979 8.039 371 HB3 ALA 50 HB3 ALA 50 -3.247 -6.987 9.490 372 H LEU 51 HN LEU 51 -5.578 -5.940 10.348 373 HA LEU 51 HA LEU 51 -7.236 -8.243 10.407 374 HB2 LEU 51 HB2 LEU 51 -7.223 -5.795 12.168 375 HB3 LEU 51 HB1 LEU 51 -8.138 -7.254 12.499 376 HG LEU 51 HG LEU 51 -5.128 -7.047 12.372 377 HD11 LEU 51 HD11 LEU 51 -6.069 -6.003 14.360 378 HD12 LEU 51 HD12 LEU 51 -5.233 -7.501 14.771 379 HD13 LEU 51 HD13 LEU 51 -6.995 -7.465 14.702 380 HD21 LEU 51 HD21 LEU 51 -5.912 -9.212 11.576 381 HD22 LEU 51 HD22 LEU 51 -6.902 -9.397 13.024 382 HD23 LEU 51 HD23 LEU 51 -5.143 -9.363 13.156 383 H ASN 52 HN ASN 52 -7.742 -4.906 9.581 384 HA ASN 52 HA ASN 52 -10.586 -5.005 9.549 385 HB2 ASN 52 HB2 ASN 52 -8.716 -3.084 8.151 386 HB3 ASN 52 HB1 ASN 52 -10.446 -2.850 8.369 387 HD21 ASN 52 HD21 ASN 52 -10.535 -3.886 11.053 388 HD22 ASN 52 HD22 ASN 52 -9.780 -2.711 12.067 389 H THR 53 HN THR 53 -8.091 -5.726 7.253 390 HA THR 53 HA THR 53 -10.096 -6.154 5.147 391 HB THR 53 HB THR 53 -8.294 -6.138 3.553 392 HG1 THR 53 HG1 THR 53 -6.157 -6.101 4.183 393 HG21 THR 53 HG21 THR 53 -9.091 -3.951 4.236 394 HG22 THR 53 HG22 THR 53 -7.354 -3.884 3.939 395 HG23 THR 53 HG23 THR 53 -7.965 -3.939 5.593 396 H GLY 54 HN GLY 54 -8.554 -7.862 7.517 397 HA2 GLY 54 HA2 GLY 54 -8.344 -10.110 7.926 398 HA3 GLY 54 HA1 GLY 54 -9.392 -10.370 6.541 399 H GLN 55 HN GLN 55 -6.298 -8.711 6.353 400 HA GLN 55 HA GLN 55 -5.376 -10.798 4.524 401 HB2 GLN 55 HB2 GLN 55 -4.383 -8.001 5.072 402 HB3 GLN 55 HB1 GLN 55 -3.565 -9.123 3.994 403 HG2 GLN 55 HG2 GLN 55 -6.350 -8.029 3.677 404 HG3 GLN 55 HG1 GLN 55 -4.931 -7.604 2.722 405 HE21 GLN 55 HE21 GLN 55 -3.959 -10.347 2.578 406 HE22 GLN 55 HE22 GLN 55 -4.996 -11.169 1.471 407 H ASP 56 HN ASP 56 -3.698 -12.119 4.930 408 HA ASP 56 HA ASP 56 -2.681 -12.243 7.616 409 HB2 ASP 56 HB2 ASP 56 -1.979 -13.884 5.172 410 HB3 ASP 56 HB1 ASP 56 -1.470 -14.243 6.819 411 H SER 57 HN SER 57 -1.289 -10.627 8.116 412 HA SER 57 HA SER 57 1.303 -10.665 6.839 413 HB2 SER 57 HB2 SER 57 1.333 -8.239 6.369 414 HB3 SER 57 HB1 SER 57 0.111 -9.074 5.410 415 HG SER 57 HG SER 57 -1.367 -8.429 7.189 416 H GLY 58 HN GLY 58 2.864 -9.228 7.982 417 HA2 GLY 58 HA2 GLY 58 2.154 -8.157 10.543 418 HA3 GLY 58 HA1 GLY 58 2.973 -9.706 10.680 419 H VAL 59 HN VAL 59 4.819 -9.533 8.639 420 HA VAL 59 HA VAL 59 6.670 -7.591 9.774 421 HB VAL 59 HB VAL 59 7.207 -9.725 7.704 422 HG11 VAL 59 HG11 VAL 59 9.553 -9.420 8.350 423 HG12 VAL 59 HG12 VAL 59 9.078 -8.115 9.438 424 HG13 VAL 59 HG13 VAL 59 8.857 -7.937 7.697 425 HG21 VAL 59 HG21 VAL 59 8.135 -11.038 9.557 426 HG22 VAL 59 HG22 VAL 59 6.412 -10.729 9.773 427 HG23 VAL 59 HG23 VAL 59 7.597 -9.802 10.694 428 H TRP 60 HN TRP 60 4.868 -8.174 6.855 429 HA TRP 60 HA TRP 60 6.367 -6.263 5.289 430 HB2 TRP 60 HB2 TRP 60 3.760 -7.683 4.700 431 HB3 TRP 60 HB1 TRP 60 4.671 -6.710 3.549 432 HD1 TRP 60 HD1 TRP 60 4.692 -10.112 5.275 433 HE1 TRP 60 HE1 TRP 60 6.412 -11.626 4.102 434 HE3 TRP 60 HE3 TRP 60 6.869 -6.647 2.209 435 HZ2 TRP 60 HZ2 TRP 60 8.424 -11.384 2.138 436 HZ3 TRP 60 HZ3 TRP 60 8.684 -7.370 0.714 437 HH2 TRP 60 HH2 TRP 60 9.445 -9.690 0.681 438 H GLY 61 HN GLY 61 4.714 -4.721 3.961 439 HA2 GLY 61 HA2 GLY 61 3.683 -2.931 6.015 440 HA3 GLY 61 HA1 GLY 61 3.927 -2.540 4.320 441 H GLY 62 HN GLY 62 1.683 -1.596 5.198 442 HA2 GLY 62 HA2 GLY 62 -0.462 -3.551 4.915 443 HA3 GLY 62 HA1 GLY 62 -0.645 -1.859 5.355 444 H MET 63 HN MET 63 -1.786 -3.762 3.199 445 HA MET 63 HA MET 63 -1.665 -1.764 1.064 446 HB2 MET 63 HB2 MET 63 -0.007 -3.428 0.441 447 HB3 MET 63 HB1 MET 63 -1.174 -4.721 0.679 448 HG2 MET 63 HG2 MET 63 -2.526 -3.803 -1.159 449 HG3 MET 63 HG1 MET 63 -1.294 -2.571 -1.420 450 HE1 MET 63 HE1 MET 63 -2.089 -6.415 -1.479 451 HE2 MET 63 HE2 MET 63 -0.689 -6.326 -0.410 452 HE3 MET 63 HE3 MET 63 -0.543 -7.089 -1.994 453 H SER 64 HN SER 64 -3.571 -1.456 0.020 454 HA SER 64 HA SER 64 -5.903 -2.771 1.071 455 HB2 SER 64 HB2 SER 64 -7.160 -1.129 -0.242 456 HB3 SER 64 HB1 SER 64 -5.900 -0.329 0.698 457 HG SER 64 HG SER 64 -6.134 0.272 -1.608 458 H GLU 65 HN GLU 65 -7.608 -3.470 -0.451 459 HA GLU 65 HA GLU 65 -6.661 -5.545 -2.112 460 HB2 GLU 65 HB2 GLU 65 -8.845 -5.646 -1.003 461 HB3 GLU 65 HB1 GLU 65 -9.415 -4.300 -1.980 462 HG2 GLU 65 HG2 GLU 65 -9.165 -5.655 -3.996 463 HG3 GLU 65 HG1 GLU 65 -8.592 -7.004 -3.016 464 H ASP 66 HN ASP 66 -7.978 -2.334 -2.822 465 HA ASP 66 HA ASP 66 -7.986 -2.577 -5.622 466 HB2 ASP 66 HB2 ASP 66 -7.673 -0.113 -3.895 467 HB3 ASP 66 HB1 ASP 66 -7.989 -0.086 -5.627 468 H GLU 67 HN GLU 67 -5.531 -1.759 -3.316 469 HA GLU 67 HA GLU 67 -3.579 -0.762 -5.082 470 HB2 GLU 67 HB2 GLU 67 -3.706 -0.765 -2.464 471 HB3 GLU 67 HB1 GLU 67 -2.860 -2.297 -2.611 472 HG2 GLU 67 HG2 GLU 67 -1.869 0.239 -3.869 473 HG3 GLU 67 HG1 GLU 67 -1.436 -0.255 -2.235 474 H ARG 68 HN ARG 68 -4.248 -4.030 -3.858 475 HA ARG 68 HA ARG 68 -2.069 -5.302 -5.093 476 HB2 ARG 68 HB2 ARG 68 -2.943 -7.231 -4.273 477 HB3 ARG 68 HB1 ARG 68 -3.966 -6.130 -3.365 478 HG2 ARG 68 HG2 ARG 68 -5.691 -6.366 -5.142 479 HG3 ARG 68 HG1 ARG 68 -4.672 -7.585 -5.904 480 HD2 ARG 68 HD2 ARG 68 -5.813 -7.720 -3.115 481 HD3 ARG 68 HD1 ARG 68 -6.404 -8.609 -4.518 482 HE ARG 68 HE ARG 68 -3.688 -9.189 -4.185 483 HH11 ARG 68 HH11 ARG 68 -6.730 -9.730 -2.562 484 HH12 ARG 68 HH12 ARG 68 -6.220 -11.216 -1.834 485 HH21 ARG 68 HH21 ARG 68 -3.016 -11.144 -3.229 486 HH22 ARG 68 HH22 ARG 68 -4.111 -12.019 -2.212 487 H ARG 69 HN ARG 69 -5.273 -4.443 -6.248 488 HA ARG 69 HA ARG 69 -5.247 -5.882 -8.663 489 HB2 ARG 69 HB2 ARG 69 -6.565 -3.220 -8.078 490 HB3 ARG 69 HB1 ARG 69 -6.959 -4.288 -9.417 491 HG2 ARG 69 HG2 ARG 69 -7.213 -5.110 -6.540 492 HG3 ARG 69 HG1 ARG 69 -8.522 -4.358 -7.451 493 HD2 ARG 69 HD2 ARG 69 -7.106 -6.892 -8.264 494 HD3 ARG 69 HD1 ARG 69 -8.634 -6.840 -7.385 495 HE ARG 69 HE ARG 69 -8.626 -5.364 -9.863 496 HH11 ARG 69 HH11 ARG 69 -9.215 -8.453 -8.346 497 HH12 ARG 69 HH12 ARG 69 -10.278 -9.003 -9.596 498 HH21 ARG 69 HH21 ARG 69 -10.023 -6.088 -11.507 499 HH22 ARG 69 HH22 ARG 69 -10.737 -7.663 -11.391 500 H ALA 70 HN ALA 70 -4.139 -2.632 -7.834 501 HA ALA 70 HA ALA 70 -3.345 -1.793 -10.391 502 HB1 ALA 70 HB1 ALA 70 -2.209 -1.024 -7.711 503 HB2 ALA 70 HB2 ALA 70 -3.592 -0.272 -8.507 504 HB3 ALA 70 HB3 ALA 70 -1.985 -0.142 -9.222 505 H LEU 71 HN LEU 71 -1.784 -3.746 -7.974 506 HA LEU 71 HA LEU 71 0.831 -3.690 -9.111 507 HB2 LEU 71 HB2 LEU 71 0.486 -4.157 -6.753 508 HB3 LEU 71 HB1 LEU 71 -0.434 -5.597 -7.147 509 HG LEU 71 HG LEU 71 1.609 -6.583 -8.160 510 HD11 LEU 71 HD11 LEU 71 3.774 -5.544 -7.692 511 HD12 LEU 71 HD12 LEU 71 2.950 -4.138 -7.017 512 HD13 LEU 71 HD13 LEU 71 2.773 -4.526 -8.728 513 HD21 LEU 71 HD21 LEU 71 1.014 -7.156 -5.892 514 HD22 LEU 71 HD22 LEU 71 1.811 -5.706 -5.283 515 HD23 LEU 71 HD23 LEU 71 2.766 -6.994 -6.017 516 H LYS 72 HN LYS 72 -1.822 -6.075 -9.192 517 HA LYS 72 HA LYS 72 -0.422 -8.002 -10.682 518 HB2 LYS 72 HB2 LYS 72 -2.542 -9.065 -11.073 519 HB3 LYS 72 HB1 LYS 72 -2.521 -8.450 -9.427 520 HG2 LYS 72 HG2 LYS 72 -3.963 -6.662 -9.975 521 HG3 LYS 72 HG1 LYS 72 -3.778 -6.951 -11.707 522 HD2 LYS 72 HD2 LYS 72 -4.832 -9.202 -11.339 523 HD3 LYS 72 HD1 LYS 72 -5.191 -8.688 -9.690 524 HE2 LYS 72 HE2 LYS 72 -6.547 -6.868 -10.506 525 HE3 LYS 72 HE1 LYS 72 -6.100 -7.236 -12.171 526 HZ1 LYS 72 HZ1 LYS 72 -7.176 -9.429 -11.865 527 HZ2 LYS 72 HZ2 LYS 72 -8.252 -8.131 -11.747 528 HZ3 LYS 72 HZ3 LYS 72 -7.726 -8.921 -10.348 529 H ARG 73 HN ARG 73 -2.341 -5.251 -11.634 530 HA ARG 73 HA ARG 73 -2.370 -5.874 -14.415 531 HB2 ARG 73 HB2 ARG 73 -2.846 -3.270 -12.957 532 HB3 ARG 73 HB1 ARG 73 -3.075 -3.486 -14.687 533 HG2 ARG 73 HG2 ARG 73 -4.683 -5.367 -14.063 534 HG3 ARG 73 HG1 ARG 73 -4.627 -4.701 -12.430 535 HD2 ARG 73 HD2 ARG 73 -5.450 -3.227 -14.929 536 HD3 ARG 73 HD1 ARG 73 -6.532 -3.820 -13.671 537 HE ARG 73 HE ARG 73 -4.861 -2.216 -12.300 538 HH11 ARG 73 HH11 ARG 73 -6.720 -1.739 -15.216 539 HH12 ARG 73 HH12 ARG 73 -6.925 -0.039 -14.956 540 HH21 ARG 73 HH21 ARG 73 -5.133 0.020 -11.957 541 HH22 ARG 73 HH22 ARG 73 -6.024 0.959 -13.108 542 H ARG 74 HN ARG 74 -0.234 -4.088 -12.297 543 HA ARG 74 HA ARG 74 1.292 -2.767 -14.262 544 HB2 ARG 74 HB2 ARG 74 1.257 -2.394 -11.721 545 HB3 ARG 74 HB1 ARG 74 2.375 -3.744 -11.624 546 HG2 ARG 74 HG2 ARG 74 2.939 -1.365 -13.357 547 HG3 ARG 74 HG1 ARG 74 3.343 -1.384 -11.640 548 HD2 ARG 74 HD2 ARG 74 4.642 -3.476 -12.046 549 HD3 ARG 74 HD1 ARG 74 4.348 -3.267 -13.769 550 HE ARG 74 HE ARG 74 6.137 -1.710 -12.097 551 HH11 ARG 74 HH11 ARG 74 4.519 -2.006 -15.180 552 HH12 ARG 74 HH12 ARG 74 5.630 -0.962 -16.000 553 HH21 ARG 74 HH21 ARG 74 7.593 -0.337 -13.179 554 HH22 ARG 74 HH22 ARG 74 7.373 -0.015 -14.866 555 H ASN 75 HN ASN 75 1.656 -5.923 -12.696 556 HA ASN 75 HA ASN 75 4.088 -6.579 -14.032 557 HB2 ASN 75 HB2 ASN 75 2.067 -8.315 -12.599 558 HB3 ASN 75 HB1 ASN 75 3.622 -8.889 -13.194 559 HD21 ASN 75 HD21 ASN 75 4.333 -9.434 -11.147 560 HD22 ASN 75 HD22 ASN 75 4.781 -8.246 -9.975 561 H ALA 76 HN ALA 76 0.685 -7.067 -14.707 562 HA ALA 76 HA ALA 76 -0.426 -7.817 -16.545 563 HB1 ALA 76 HB1 ALA 76 2.206 -7.333 -17.937 564 HB2 ALA 76 HB2 ALA 76 0.935 -6.136 -17.691 565 HB3 ALA 76 HB3 ALA 76 0.638 -7.538 -18.718 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 9.032 7.221 16.415 2 H2 MET 1 HT2 MET 1 10.529 6.626 16.923 3 H3 MET 1 HT3 MET 1 9.108 5.805 17.338 4 HA MET 1 HA MET 1 10.378 6.044 14.683 5 HB2 MET 1 HB2 MET 1 9.487 3.645 16.296 6 HB3 MET 1 HB1 MET 1 10.293 3.595 14.736 7 HG2 MET 1 HG2 MET 1 11.994 3.152 16.236 8 HG3 MET 1 HG1 MET 1 12.190 4.870 15.899 9 HE1 MET 1 HE1 MET 1 10.310 3.167 19.755 10 HE2 MET 1 HE2 MET 1 10.910 2.183 18.420 11 HE3 MET 1 HE3 MET 1 9.458 3.161 18.212 12 H ASP 2 HN ASP 2 7.373 5.691 16.391 13 HA ASP 2 HA ASP 2 5.789 4.504 14.427 14 HB2 ASP 2 HB2 ASP 2 5.001 6.588 16.475 15 HB3 ASP 2 HB1 ASP 2 3.880 5.570 15.577 16 H TRP 3 HN TRP 3 6.915 7.797 14.773 17 HA TRP 3 HA TRP 3 5.142 8.981 12.904 18 HB2 TRP 3 HB2 TRP 3 6.899 10.807 12.833 19 HB3 TRP 3 HB1 TRP 3 6.249 10.434 14.426 20 HD1 TRP 3 HD1 TRP 3 7.883 9.258 16.180 21 HE1 TRP 3 HE1 TRP 3 10.443 9.060 16.279 22 HE3 TRP 3 HE3 TRP 3 8.987 10.579 11.367 23 HZ2 TRP 3 HZ2 TRP 3 12.646 9.424 14.550 24 HZ3 TRP 3 HZ3 TRP 3 11.346 10.631 10.669 25 HH2 TRP 3 HH2 TRP 3 13.137 10.066 12.229 26 H ARG 4 HN ARG 4 8.365 7.556 12.614 27 HA ARG 4 HA ARG 4 8.757 8.253 9.894 28 HB2 ARG 4 HB2 ARG 4 10.618 7.662 11.374 29 HB3 ARG 4 HB1 ARG 4 9.993 6.024 11.519 30 HG2 ARG 4 HG2 ARG 4 10.352 5.680 9.121 31 HG3 ARG 4 HG1 ARG 4 10.999 7.317 8.992 32 HD2 ARG 4 HD2 ARG 4 12.139 5.087 10.675 33 HD3 ARG 4 HD1 ARG 4 12.787 5.655 9.136 34 HE ARG 4 HE ARG 4 12.626 7.832 10.885 35 HH11 ARG 4 HH11 ARG 4 14.401 4.850 10.521 36 HH12 ARG 4 HH12 ARG 4 15.812 5.443 11.332 37 HH21 ARG 4 HH21 ARG 4 14.482 8.616 11.951 38 HH22 ARG 4 HH22 ARG 4 15.857 7.582 12.145 39 H HIS 5 HN HIS 5 7.454 5.383 11.498 40 HA HIS 5 HA HIS 5 7.217 3.776 9.197 41 HB2 HIS 5 HB2 HIS 5 5.536 3.746 11.712 42 HB3 HIS 5 HB1 HIS 5 5.638 2.447 10.527 43 HD1 HIS 5 HD1 HIS 5 8.463 1.851 10.156 44 HD2 HIS 5 HD2 HIS 5 7.024 3.089 13.851 45 HE1 HIS 5 HE1 HIS 5 10.159 1.066 11.840 46 HE2 HIS 5 HE2 HIS 5 9.310 1.902 14.057 47 H LYS 6 HN LYS 6 5.134 6.222 10.625 48 HA LYS 6 HA LYS 6 3.094 5.700 8.615 49 HB2 LYS 6 HB2 LYS 6 3.167 7.716 10.871 50 HB3 LYS 6 HB1 LYS 6 1.801 7.460 9.793 51 HG2 LYS 6 HG2 LYS 6 1.585 5.165 10.616 52 HG3 LYS 6 HG1 LYS 6 2.945 5.436 11.708 53 HD2 LYS 6 HD2 LYS 6 1.694 7.204 12.837 54 HD3 LYS 6 HD1 LYS 6 0.340 6.960 11.732 55 HE2 LYS 6 HE2 LYS 6 -0.058 5.849 13.866 56 HE3 LYS 6 HE1 LYS 6 0.072 4.677 12.555 57 HZ1 LYS 6 HZ1 LYS 6 2.354 4.241 13.222 58 HZ2 LYS 6 HZ2 LYS 6 1.292 3.954 14.506 59 HZ3 LYS 6 HZ3 LYS 6 2.226 5.365 14.481 60 H ALA 7 HN ALA 7 5.917 7.314 8.907 61 HA ALA 7 HA ALA 7 5.366 9.733 7.531 62 HB1 ALA 7 HB1 ALA 7 7.434 9.317 8.900 63 HB2 ALA 7 HB2 ALA 7 7.744 9.965 7.291 64 HB3 ALA 7 HB3 ALA 7 7.998 8.252 7.613 65 H VAL 8 HN VAL 8 6.519 6.524 6.670 66 HA VAL 8 HA VAL 8 6.451 7.110 3.863 67 HB VAL 8 HB VAL 8 6.552 4.308 4.933 68 HG11 VAL 8 HG11 VAL 8 7.827 5.715 2.583 69 HG12 VAL 8 HG12 VAL 8 6.455 4.607 2.525 70 HG13 VAL 8 HG13 VAL 8 8.050 4.014 2.990 71 HG21 VAL 8 HG21 VAL 8 8.818 6.306 4.941 72 HG22 VAL 8 HG22 VAL 8 9.028 4.564 5.113 73 HG23 VAL 8 HG23 VAL 8 8.133 5.468 6.334 74 H CYS 9 HN CYS 9 4.234 6.077 6.306 75 HA CYS 9 HA CYS 9 2.307 4.669 4.884 76 HB2 CYS 9 HB2 CYS 9 2.226 6.500 7.214 77 HB3 CYS 9 HB1 CYS 9 0.711 6.313 6.364 78 H ARG 10 HN ARG 10 2.094 8.140 5.573 79 HA ARG 10 HA ARG 10 0.284 8.660 3.447 80 HB2 ARG 10 HB2 ARG 10 0.564 11.024 4.066 81 HB3 ARG 10 HB1 ARG 10 0.260 10.004 5.466 82 HG2 ARG 10 HG2 ARG 10 2.646 10.026 5.999 83 HG3 ARG 10 HG1 ARG 10 2.946 11.055 4.598 84 HD2 ARG 10 HD2 ARG 10 1.216 11.749 6.970 85 HD3 ARG 10 HD1 ARG 10 2.840 12.362 6.662 86 HE ARG 10 HE ARG 10 1.234 12.942 4.443 87 HH11 ARG 10 HH11 ARG 10 1.557 13.852 7.797 88 HH12 ARG 10 HH12 ARG 10 0.917 15.443 7.556 89 HH21 ARG 10 HH21 ARG 10 0.392 15.034 4.125 90 HH22 ARG 10 HH22 ARG 10 0.255 16.115 5.472 91 H ASP 11 HN ASP 11 3.712 8.573 3.614 92 HA ASP 11 HA ASP 11 4.129 10.274 1.318 93 HB2 ASP 11 HB2 ASP 11 5.983 8.673 3.056 94 HB3 ASP 11 HB1 ASP 11 6.541 9.449 1.581 95 H GLU 12 HN GLU 12 2.736 7.439 1.304 96 HA GLU 12 HA GLU 12 4.408 5.994 -0.538 97 HB2 GLU 12 HB2 GLU 12 2.605 4.355 -0.535 98 HB3 GLU 12 HB1 GLU 12 2.971 4.842 1.111 99 HG2 GLU 12 HG2 GLU 12 1.036 6.383 1.040 100 HG3 GLU 12 HG1 GLU 12 0.640 5.763 -0.559 101 H ASP 13 HN ASP 13 1.746 5.236 -2.002 102 HA ASP 13 HA ASP 13 1.941 7.462 -3.905 103 HB2 ASP 13 HB2 ASP 13 2.645 5.133 -4.684 104 HB3 ASP 13 HB1 ASP 13 0.948 4.678 -4.594 105 HA PRO 14 HA PRO 14 -2.160 8.614 -2.628 106 HB2 PRO 14 HB2 PRO 14 -2.774 9.894 -5.046 107 HB3 PRO 14 HB1 PRO 14 -2.065 10.651 -3.619 108 HG2 PRO 14 HG2 PRO 14 -0.745 9.672 -6.100 109 HG3 PRO 14 HG1 PRO 14 -0.334 11.059 -5.078 110 HD2 PRO 14 HD2 PRO 14 1.099 8.791 -5.021 111 HD3 PRO 14 HD1 PRO 14 0.817 9.749 -3.552 112 H GLU 15 HN GLU 15 -1.345 6.911 -5.555 113 HA GLU 15 HA GLU 15 -4.018 6.248 -6.278 114 HB2 GLU 15 HB2 GLU 15 -1.367 5.023 -7.091 115 HB3 GLU 15 HB1 GLU 15 -2.921 4.548 -7.759 116 HG2 GLU 15 HG2 GLU 15 -1.763 6.085 -9.232 117 HG3 GLU 15 HG1 GLU 15 -3.269 6.780 -8.635 118 H LEU 16 HN LEU 16 -1.780 5.020 -3.955 119 HA LEU 16 HA LEU 16 -2.842 2.388 -3.757 120 HB2 LEU 16 HB2 LEU 16 -1.343 3.964 -1.654 121 HB3 LEU 16 HB1 LEU 16 -1.606 2.229 -1.649 122 HG LEU 16 HG LEU 16 0.373 3.824 -3.129 123 HD11 LEU 16 HD11 LEU 16 1.606 1.666 -3.120 124 HD12 LEU 16 HD12 LEU 16 0.231 0.944 -2.265 125 HD13 LEU 16 HD13 LEU 16 1.152 2.239 -1.502 126 HD21 LEU 16 HD21 LEU 16 0.431 2.093 -4.931 127 HD22 LEU 16 HD22 LEU 16 -0.881 3.269 -5.027 128 HD23 LEU 16 HD23 LEU 16 -1.195 1.642 -4.432 129 H PHE 17 HN PHE 17 -4.068 5.388 -2.861 130 HA PHE 17 HA PHE 17 -5.879 4.194 -0.884 131 HB2 PHE 17 HB2 PHE 17 -5.349 7.104 -1.532 132 HB3 PHE 17 HB1 PHE 17 -6.454 6.523 -0.291 133 HD1 PHE 17 HD1 PHE 17 -5.624 5.581 1.776 134 HD2 PHE 17 HD2 PHE 17 -2.956 6.996 -1.222 135 HE1 PHE 17 HE1 PHE 17 -3.782 5.549 3.406 136 HE2 PHE 17 HE2 PHE 17 -1.108 6.966 0.401 137 HZ PHE 17 HZ PHE 17 -1.520 6.242 2.719 138 H PHE 18 HN PHE 18 -5.674 5.006 -4.132 139 HA PHE 18 HA PHE 18 -8.605 4.995 -4.372 140 HB2 PHE 18 HB2 PHE 18 -6.688 6.743 -5.922 141 HB3 PHE 18 HB1 PHE 18 -8.399 6.564 -6.295 142 HD1 PHE 18 HD1 PHE 18 -9.903 8.053 -5.390 143 HD2 PHE 18 HD2 PHE 18 -6.144 7.491 -3.479 144 HE1 PHE 18 HE1 PHE 18 -10.439 9.866 -3.814 145 HE2 PHE 18 HE2 PHE 18 -6.671 9.301 -1.899 146 HZ PHE 18 HZ PHE 18 -8.820 10.491 -2.065 147 HA PRO 19 HA PRO 19 -7.560 1.441 -6.907 148 HB2 PRO 19 HB2 PRO 19 -10.373 1.737 -7.793 149 HB3 PRO 19 HB1 PRO 19 -9.553 0.335 -7.098 150 HG2 PRO 19 HG2 PRO 19 -11.307 1.750 -5.668 151 HG3 PRO 19 HG1 PRO 19 -9.847 1.073 -4.924 152 HD2 PRO 19 HD2 PRO 19 -10.418 3.887 -5.765 153 HD3 PRO 19 HD1 PRO 19 -9.559 3.290 -4.330 154 H VAL 20 HN VAL 20 -6.732 1.345 -8.919 155 HA VAL 20 HA VAL 20 -7.038 3.576 -10.701 156 HB VAL 20 HB VAL 20 -5.579 0.979 -11.177 157 HG11 VAL 20 HG11 VAL 20 -5.340 3.687 -12.486 158 HG12 VAL 20 HG12 VAL 20 -5.981 2.216 -13.221 159 HG13 VAL 20 HG13 VAL 20 -4.275 2.313 -12.788 160 HG21 VAL 20 HG21 VAL 20 -4.520 3.575 -10.070 161 HG22 VAL 20 HG22 VAL 20 -3.586 2.114 -10.395 162 HG23 VAL 20 HG23 VAL 20 -4.821 2.110 -9.136 163 H GLY 21 HN GLY 21 -7.706 3.449 -12.887 164 HA2 GLY 21 HA2 GLY 21 -8.908 1.188 -14.056 165 HA3 GLY 21 HA1 GLY 21 -10.155 2.159 -13.295 166 H ASN 22 HN ASN 22 -7.991 4.428 -14.127 167 HA ASN 22 HA ASN 22 -9.083 4.698 -16.844 168 HB2 ASN 22 HB2 ASN 22 -8.598 6.892 -14.824 169 HB3 ASN 22 HB1 ASN 22 -9.127 7.141 -16.485 170 HD21 ASN 22 HD21 ASN 22 -11.217 6.569 -17.077 171 HD22 ASN 22 HD22 ASN 22 -12.456 6.279 -15.909 172 H SER 23 HN SER 23 -6.227 4.595 -14.938 173 HA SER 23 HA SER 23 -4.706 5.441 -17.305 174 HB2 SER 23 HB2 SER 23 -3.090 6.621 -15.856 175 HB3 SER 23 HB1 SER 23 -4.701 7.339 -15.769 176 HG SER 23 HG SER 23 -4.494 7.052 -13.703 177 H GLY 24 HN GLY 24 -2.593 4.626 -17.474 178 HA2 GLY 24 HA2 GLY 24 -2.253 2.018 -16.238 179 HA3 GLY 24 HA1 GLY 24 -1.303 2.672 -17.566 180 HA PRO 25 HA PRO 25 1.841 4.538 -15.013 181 HB2 PRO 25 HB2 PRO 25 0.329 7.074 -14.553 182 HB3 PRO 25 HB1 PRO 25 2.008 6.847 -15.063 183 HG2 PRO 25 HG2 PRO 25 0.149 7.549 -16.828 184 HG3 PRO 25 HG1 PRO 25 1.415 6.385 -17.260 185 HD2 PRO 25 HD2 PRO 25 -1.457 5.912 -16.624 186 HD3 PRO 25 HD1 PRO 25 -0.404 5.070 -17.776 187 H ALA 26 HN ALA 26 -1.439 4.821 -13.890 188 HA ALA 26 HA ALA 26 -0.922 5.406 -11.185 189 HB1 ALA 26 HB1 ALA 26 -3.125 5.054 -10.821 190 HB2 ALA 26 HB2 ALA 26 -3.141 3.538 -11.725 191 HB3 ALA 26 HB3 ALA 26 -3.201 5.080 -12.585 192 H LEU 27 HN LEU 27 -0.860 2.439 -12.993 193 HA LEU 27 HA LEU 27 -0.651 0.686 -10.767 194 HB2 LEU 27 HB2 LEU 27 0.243 0.354 -13.625 195 HB3 LEU 27 HB1 LEU 27 0.178 -0.939 -12.446 196 HG LEU 27 HG LEU 27 -1.796 -1.324 -13.526 197 HD11 LEU 27 HD11 LEU 27 -3.549 -0.770 -12.126 198 HD12 LEU 27 HD12 LEU 27 -2.920 0.848 -11.811 199 HD13 LEU 27 HD13 LEU 27 -2.147 -0.555 -11.078 200 HD21 LEU 27 HD21 LEU 27 -2.271 1.627 -13.877 201 HD22 LEU 27 HD22 LEU 27 -3.134 0.297 -14.648 202 HD23 LEU 27 HD23 LEU 27 -1.450 0.612 -15.062 203 H ALA 28 HN ALA 28 1.663 2.288 -12.876 204 HA ALA 28 HA ALA 28 3.949 1.104 -11.664 205 HB1 ALA 28 HB1 ALA 28 4.037 2.047 -13.926 206 HB2 ALA 28 HB2 ALA 28 5.237 2.797 -12.873 207 HB3 ALA 28 HB3 ALA 28 3.747 3.656 -13.264 208 H GLN 29 HN GLN 29 2.014 3.923 -11.103 209 HA GLN 29 HA GLN 29 3.793 5.192 -9.239 210 HB2 GLN 29 HB2 GLN 29 0.830 5.483 -9.818 211 HB3 GLN 29 HB1 GLN 29 1.649 6.429 -8.576 212 HG2 GLN 29 HG2 GLN 29 3.123 7.390 -10.251 213 HG3 GLN 29 HG1 GLN 29 2.358 6.414 -11.502 214 HE21 GLN 29 HE21 GLN 29 2.014 9.131 -9.368 215 HE22 GLN 29 HE22 GLN 29 0.618 9.811 -10.126 216 H ILE 30 HN ILE 30 0.833 3.309 -8.950 217 HA ILE 30 HA ILE 30 0.766 3.025 -6.222 218 HB ILE 30 HB ILE 30 -0.239 1.278 -8.448 219 HG12 ILE 30 HG12 ILE 30 -1.595 3.137 -6.496 220 HG13 ILE 30 HG11 ILE 30 -1.392 3.376 -8.220 221 HG21 ILE 30 HG21 ILE 30 0.040 0.590 -5.663 222 HG22 ILE 30 HG22 ILE 30 -0.410 -0.414 -7.047 223 HG23 ILE 30 HG23 ILE 30 -1.639 0.519 -6.194 224 HD11 ILE 30 HD11 ILE 30 -3.659 2.720 -7.667 225 HD12 ILE 30 HD12 ILE 30 -3.056 1.234 -6.933 226 HD13 ILE 30 HD13 ILE 30 -2.866 1.503 -8.665 227 H ALA 31 HN ALA 31 2.291 1.017 -8.640 228 HA ALA 31 HA ALA 31 3.124 -1.066 -6.965 229 HB1 ALA 31 HB1 ALA 31 4.425 -0.066 -9.498 230 HB2 ALA 31 HB2 ALA 31 3.111 -1.240 -9.405 231 HB3 ALA 31 HB3 ALA 31 4.697 -1.635 -8.741 232 H ASP 32 HN ASP 32 4.339 2.124 -7.453 233 HA ASP 32 HA ASP 32 7.014 1.561 -6.577 234 HB2 ASP 32 HB2 ASP 32 5.541 4.164 -7.001 235 HB3 ASP 32 HB1 ASP 32 7.220 4.072 -6.476 236 H ALA 33 HN ALA 33 4.071 2.855 -5.207 237 HA ALA 33 HA ALA 33 5.264 3.456 -2.691 238 HB1 ALA 33 HB1 ALA 33 2.492 3.319 -3.740 239 HB2 ALA 33 HB2 ALA 33 3.353 4.640 -2.957 240 HB3 ALA 33 HB3 ALA 33 2.741 3.302 -1.995 241 H LYS 34 HN LYS 34 3.698 0.641 -4.089 242 HA LYS 34 HA LYS 34 3.388 -0.824 -1.714 243 HB2 LYS 34 HB2 LYS 34 2.666 -2.543 -3.022 244 HB3 LYS 34 HB1 LYS 34 2.521 -1.239 -4.187 245 HG2 LYS 34 HG2 LYS 34 3.570 -2.794 -5.466 246 HG3 LYS 34 HG1 LYS 34 4.975 -1.972 -4.794 247 HD2 LYS 34 HD2 LYS 34 5.323 -3.681 -3.186 248 HD3 LYS 34 HD1 LYS 34 3.755 -4.412 -3.530 249 HE2 LYS 34 HE2 LYS 34 4.506 -5.042 -5.748 250 HE3 LYS 34 HE1 LYS 34 6.051 -4.238 -5.478 251 HZ1 LYS 34 HZ1 LYS 34 6.228 -6.622 -5.154 252 HZ2 LYS 34 HZ2 LYS 34 5.029 -6.579 -3.962 253 HZ3 LYS 34 HZ3 LYS 34 6.511 -5.808 -3.697 254 H LEU 35 HN LEU 35 6.157 -0.613 -3.988 255 HA LEU 35 HA LEU 35 7.674 -2.620 -2.634 256 HB2 LEU 35 HB2 LEU 35 8.433 -0.385 -4.498 257 HB3 LEU 35 HB1 LEU 35 9.663 -1.348 -3.708 258 HG LEU 35 HG LEU 35 9.489 -2.390 -5.750 259 HD11 LEU 35 HD11 LEU 35 7.411 -3.830 -4.113 260 HD12 LEU 35 HD12 LEU 35 9.156 -4.027 -3.958 261 HD13 LEU 35 HD13 LEU 35 8.343 -4.504 -5.449 262 HD21 LEU 35 HD21 LEU 35 6.499 -2.313 -5.737 263 HD22 LEU 35 HD22 LEU 35 7.598 -2.534 -7.100 264 HD23 LEU 35 HD23 LEU 35 7.459 -0.955 -6.319 265 H VAL 36 HN VAL 36 7.527 0.880 -2.458 266 HA VAL 36 HA VAL 36 9.529 1.247 -0.516 267 HB VAL 36 HB VAL 36 7.092 2.950 -1.066 268 HG11 VAL 36 HG11 VAL 36 8.045 3.416 1.139 269 HG12 VAL 36 HG12 VAL 36 8.312 4.757 0.026 270 HG13 VAL 36 HG13 VAL 36 9.631 3.649 0.407 271 HG21 VAL 36 HG21 VAL 36 9.923 3.358 -2.006 272 HG22 VAL 36 HG22 VAL 36 8.478 4.234 -2.511 273 HG23 VAL 36 HG23 VAL 36 8.690 2.543 -2.966 274 H CYS 37 HN CYS 37 6.137 0.409 -0.251 275 HA CYS 37 HA CYS 37 5.974 0.811 2.582 276 HB2 CYS 37 HB2 CYS 37 4.185 0.062 0.426 277 HB3 CYS 37 HB1 CYS 37 3.938 -0.964 1.834 278 H ASN 38 HN ASN 38 7.188 -1.690 0.574 279 HA ASN 38 HA ASN 38 6.780 -3.827 2.460 280 HB2 ASN 38 HB2 ASN 38 8.286 -3.622 -0.138 281 HB3 ASN 38 HB1 ASN 38 8.328 -5.073 0.860 282 HD21 ASN 38 HD21 ASN 38 7.352 -6.247 -0.814 283 HD22 ASN 38 HD22 ASN 38 5.662 -6.110 -1.144 284 H ARG 39 HN ARG 39 9.326 -1.522 1.790 285 HA ARG 39 HA ARG 39 11.281 -3.032 3.317 286 HB2 ARG 39 HB2 ARG 39 11.443 -0.267 2.108 287 HB3 ARG 39 HB1 ARG 39 12.783 -1.132 2.848 288 HG2 ARG 39 HG2 ARG 39 12.612 -2.868 1.139 289 HG3 ARG 39 HG1 ARG 39 11.265 -2.002 0.397 290 HD2 ARG 39 HD2 ARG 39 13.347 -1.553 -0.787 291 HD3 ARG 39 HD1 ARG 39 12.722 -0.089 -0.028 292 HE ARG 39 HE ARG 39 14.522 -1.290 1.741 293 HH11 ARG 39 HH11 ARG 39 14.535 0.287 -1.373 294 HH12 ARG 39 HH12 ARG 39 16.153 0.881 -1.205 295 HH21 ARG 39 HH21 ARG 39 16.651 -0.510 1.963 296 HH22 ARG 39 HH22 ARG 39 17.354 0.428 0.688 297 H CYS 40 HN CYS 40 8.752 -1.020 4.085 298 HA CYS 40 HA CYS 40 9.936 0.424 6.254 299 HB2 CYS 40 HB2 CYS 40 8.105 1.498 5.325 300 HB3 CYS 40 HB1 CYS 40 7.183 0.016 5.161 301 HA PRO 41 HA PRO 41 10.342 -2.864 9.222 302 HB2 PRO 41 HB2 PRO 41 9.498 -0.628 11.026 303 HB3 PRO 41 HB1 PRO 41 10.799 -1.808 11.234 304 HG2 PRO 41 HG2 PRO 41 11.363 0.649 10.415 305 HG3 PRO 41 HG1 PRO 41 12.186 -0.747 9.696 306 HD2 PRO 41 HD2 PRO 41 10.048 0.982 8.561 307 HD3 PRO 41 HD1 PRO 41 11.368 0.127 7.738 308 H VAL 42 HN VAL 42 7.448 -0.906 8.979 309 HA VAL 42 HA VAL 42 5.250 -1.544 9.090 310 HB VAL 42 HB VAL 42 6.144 -4.201 10.213 311 HG11 VAL 42 HG11 VAL 42 3.574 -3.328 8.901 312 HG12 VAL 42 HG12 VAL 42 3.806 -3.676 10.614 313 HG13 VAL 42 HG13 VAL 42 3.956 -4.969 9.423 314 HG21 VAL 42 HG21 VAL 42 5.678 -3.379 7.349 315 HG22 VAL 42 HG22 VAL 42 5.844 -5.046 7.898 316 HG23 VAL 42 HG23 VAL 42 7.194 -3.925 8.064 317 H THR 43 HN THR 43 3.686 -1.287 10.624 318 HA THR 43 HA THR 43 4.500 -1.375 13.448 319 HB THR 43 HB THR 43 3.299 0.716 13.886 320 HG1 THR 43 HG1 THR 43 3.186 1.059 11.064 321 HG21 THR 43 HG21 THR 43 5.689 0.821 13.532 322 HG22 THR 43 HG22 THR 43 4.905 2.254 12.871 323 HG23 THR 43 HG23 THR 43 5.445 0.967 11.793 324 H THR 44 HN THR 44 2.584 -1.005 14.904 325 HA THR 44 HA THR 44 0.665 -2.978 14.558 326 HB THR 44 HB THR 44 0.361 -0.440 16.188 327 HG1 THR 44 HG1 THR 44 1.751 -1.321 17.512 328 HG21 THR 44 HG21 THR 44 -1.179 -1.776 17.556 329 HG22 THR 44 HG22 THR 44 -0.985 -3.133 16.448 330 HG23 THR 44 HG23 THR 44 -1.748 -1.643 15.892 331 H GLU 45 HN GLU 45 0.856 0.292 13.376 332 HA GLU 45 HA GLU 45 -1.837 0.783 12.752 333 HB2 GLU 45 HB2 GLU 45 -0.072 2.497 12.566 334 HB3 GLU 45 HB1 GLU 45 0.651 1.611 11.231 335 HG2 GLU 45 HG2 GLU 45 -0.630 3.503 10.427 336 HG3 GLU 45 HG1 GLU 45 -1.348 1.985 9.888 337 H CYS 46 HN CYS 46 0.719 -0.903 11.034 338 HA CYS 46 HA CYS 46 -0.773 -1.476 8.691 339 HB2 CYS 46 HB2 CYS 46 1.877 -1.770 9.550 340 HB3 CYS 46 HB1 CYS 46 1.315 -3.408 9.235 341 H LEU 47 HN LEU 47 -0.067 -3.305 11.647 342 HA LEU 47 HA LEU 47 -1.321 -5.706 10.836 343 HB2 LEU 47 HB2 LEU 47 -0.771 -4.584 13.581 344 HB3 LEU 47 HB1 LEU 47 -1.432 -6.185 13.307 345 HG LEU 47 HG LEU 47 0.640 -6.713 11.977 346 HD11 LEU 47 HD11 LEU 47 2.612 -5.258 12.502 347 HD12 LEU 47 HD12 LEU 47 1.473 -4.055 13.109 348 HD13 LEU 47 HD13 LEU 47 1.423 -4.541 11.414 349 HD21 LEU 47 HD21 LEU 47 0.984 -5.966 14.877 350 HD22 LEU 47 HD22 LEU 47 2.029 -7.056 13.967 351 HD23 LEU 47 HD23 LEU 47 0.345 -7.490 14.262 352 H SER 48 HN SER 48 -2.460 -2.929 12.698 353 HA SER 48 HA SER 48 -5.025 -3.899 13.274 354 HB2 SER 48 HB2 SER 48 -4.121 -1.035 12.903 355 HB3 SER 48 HB1 SER 48 -5.632 -1.533 13.664 356 HG SER 48 HG SER 48 -3.089 -2.381 14.580 357 H TRP 49 HN TRP 49 -3.723 -2.295 10.476 358 HA TRP 49 HA TRP 49 -6.181 -1.721 9.193 359 HB2 TRP 49 HB2 TRP 49 -4.076 -0.623 8.551 360 HB3 TRP 49 HB1 TRP 49 -3.441 -2.163 7.983 361 HD1 TRP 49 HD1 TRP 49 -4.279 -3.045 5.626 362 HE1 TRP 49 HE1 TRP 49 -5.550 -1.916 3.694 363 HE3 TRP 49 HE3 TRP 49 -5.921 1.135 8.068 364 HZ2 TRP 49 HZ2 TRP 49 -7.052 0.434 3.262 365 HZ3 TRP 49 HZ3 TRP 49 -7.271 2.775 6.823 366 HH2 TRP 49 HH2 TRP 49 -7.823 2.431 4.470 367 H ALA 50 HN ALA 50 -3.934 -4.450 9.008 368 HA ALA 50 HA ALA 50 -5.267 -5.877 6.983 369 HB1 ALA 50 HB1 ALA 50 -2.962 -6.353 7.715 370 HB2 ALA 50 HB2 ALA 50 -3.977 -7.794 7.713 371 HB3 ALA 50 HB3 ALA 50 -3.594 -6.989 9.234 372 H LEU 51 HN LEU 51 -5.663 -5.806 10.485 373 HA LEU 51 HA LEU 51 -7.466 -7.973 10.653 374 HB2 LEU 51 HB2 LEU 51 -7.111 -5.595 12.474 375 HB3 LEU 51 HB1 LEU 51 -8.067 -7.013 12.864 376 HG LEU 51 HG LEU 51 -5.084 -6.965 12.404 377 HD11 LEU 51 HD11 LEU 51 -4.949 -7.500 14.785 378 HD12 LEU 51 HD12 LEU 51 -6.703 -7.365 14.915 379 HD13 LEU 51 HD13 LEU 51 -5.736 -5.946 14.515 380 HD21 LEU 51 HD21 LEU 51 -6.076 -9.054 11.636 381 HD22 LEU 51 HD22 LEU 51 -6.906 -9.239 13.181 382 HD23 LEU 51 HD23 LEU 51 -5.146 -9.304 13.113 383 H ASN 52 HN ASN 52 -7.849 -4.584 9.993 384 HA ASN 52 HA ASN 52 -10.680 -4.510 10.266 385 HB2 ASN 52 HB2 ASN 52 -8.848 -2.657 8.732 386 HB3 ASN 52 HB1 ASN 52 -10.527 -2.325 9.144 387 HD21 ASN 52 HD21 ASN 52 -10.396 -3.454 11.788 388 HD22 ASN 52 HD22 ASN 52 -9.462 -2.366 12.751 389 H THR 53 HN THR 53 -8.497 -5.337 7.712 390 HA THR 53 HA THR 53 -10.719 -5.536 5.800 391 HB THR 53 HB THR 53 -9.083 -5.617 4.041 392 HG1 THR 53 HG1 THR 53 -6.869 -5.691 4.500 393 HG21 THR 53 HG21 THR 53 -9.620 -3.395 4.849 394 HG22 THR 53 HG22 THR 53 -7.919 -3.462 4.389 395 HG23 THR 53 HG23 THR 53 -8.376 -3.520 6.092 396 H GLY 54 HN GLY 54 -9.125 -7.436 7.975 397 HA2 GLY 54 HA2 GLY 54 -9.229 -9.712 8.328 398 HA3 GLY 54 HA1 GLY 54 -10.175 -9.848 6.855 399 H GLN 55 HN GLN 55 -7.058 -8.303 6.788 400 HA GLN 55 HA GLN 55 -6.075 -10.471 5.092 401 HB2 GLN 55 HB2 GLN 55 -5.000 -7.691 5.601 402 HB3 GLN 55 HB1 GLN 55 -4.259 -8.863 4.520 403 HG2 GLN 55 HG2 GLN 55 -7.066 -7.835 4.201 404 HG3 GLN 55 HG1 GLN 55 -5.661 -7.131 3.404 405 HE21 GLN 55 HE21 GLN 55 -6.445 -7.593 1.360 406 HE22 GLN 55 HE22 GLN 55 -6.487 -9.198 0.725 407 H ASP 56 HN ASP 56 -3.885 -11.266 5.347 408 HA ASP 56 HA ASP 56 -3.314 -11.907 8.078 409 HB2 ASP 56 HB2 ASP 56 -1.751 -12.505 5.557 410 HB3 ASP 56 HB1 ASP 56 -1.435 -13.210 7.140 411 H SER 57 HN SER 57 -0.870 -11.835 8.732 412 HA SER 57 HA SER 57 0.112 -9.103 8.220 413 HB2 SER 57 HB2 SER 57 0.287 -10.702 10.787 414 HB3 SER 57 HB1 SER 57 0.990 -9.105 10.531 415 HG SER 57 HG SER 57 -1.773 -9.681 10.253 416 H GLY 58 HN GLY 58 2.339 -8.790 8.049 417 HA2 GLY 58 HA2 GLY 58 4.206 -10.936 8.388 418 HA3 GLY 58 HA1 GLY 58 3.831 -10.650 6.696 419 H VAL 59 HN VAL 59 5.970 -10.018 6.262 420 HA VAL 59 HA VAL 59 7.211 -7.863 7.681 421 HB VAL 59 HB VAL 59 7.955 -8.989 4.978 422 HG11 VAL 59 HG11 VAL 59 10.187 -8.118 5.502 423 HG12 VAL 59 HG12 VAL 59 9.561 -7.429 7.000 424 HG13 VAL 59 HG13 VAL 59 8.982 -6.832 5.446 425 HG21 VAL 59 HG21 VAL 59 7.882 -10.761 6.643 426 HG22 VAL 59 HG22 VAL 59 8.891 -9.805 7.728 427 HG23 VAL 59 HG23 VAL 59 9.550 -10.396 6.204 428 H TRP 60 HN TRP 60 5.163 -8.145 4.880 429 HA TRP 60 HA TRP 60 5.247 -5.220 4.584 430 HB2 TRP 60 HB2 TRP 60 4.988 -5.486 2.144 431 HB3 TRP 60 HB1 TRP 60 6.496 -6.186 2.724 432 HD1 TRP 60 HD1 TRP 60 3.096 -7.181 1.272 433 HE1 TRP 60 HE1 TRP 60 3.234 -9.617 0.452 434 HE3 TRP 60 HE3 TRP 60 7.721 -8.388 3.087 435 HZ2 TRP 60 HZ2 TRP 60 5.061 -11.765 0.561 436 HZ3 TRP 60 HZ3 TRP 60 8.591 -10.654 2.685 437 HH2 TRP 60 HH2 TRP 60 7.287 -12.307 1.448 438 H GLY 61 HN GLY 61 3.318 -4.348 4.930 439 HA2 GLY 61 HA2 GLY 61 0.923 -5.692 3.943 440 HA3 GLY 61 HA1 GLY 61 1.014 -5.423 5.677 441 H GLY 62 HN GLY 62 -0.762 -4.039 5.707 442 HA2 GLY 62 HA2 GLY 62 -1.791 -1.987 5.680 443 HA3 GLY 62 HA1 GLY 62 -0.204 -1.298 5.372 444 H MET 63 HN MET 63 -1.603 -3.650 3.224 445 HA MET 63 HA MET 63 -2.065 -1.505 1.255 446 HB2 MET 63 HB2 MET 63 -0.093 -2.830 0.685 447 HB3 MET 63 HB1 MET 63 -1.037 -4.310 0.786 448 HG2 MET 63 HG2 MET 63 -2.387 -3.592 -1.105 449 HG3 MET 63 HG1 MET 63 -1.473 -2.090 -1.195 450 HE1 MET 63 HE1 MET 63 0.158 -5.564 -0.315 451 HE2 MET 63 HE2 MET 63 0.437 -6.222 -1.928 452 HE3 MET 63 HE3 MET 63 -1.211 -5.988 -1.343 453 H SER 64 HN SER 64 -3.957 -1.519 0.149 454 HA SER 64 HA SER 64 -6.042 -3.263 1.075 455 HB2 SER 64 HB2 SER 64 -7.531 -1.818 -0.225 456 HB3 SER 64 HB1 SER 64 -6.459 -0.853 0.789 457 HG SER 64 HG SER 64 -6.004 0.120 -1.017 458 H GLU 65 HN GLU 65 -7.571 -4.171 -0.499 459 HA GLU 65 HA GLU 65 -6.301 -6.019 -2.198 460 HB2 GLU 65 HB2 GLU 65 -9.189 -5.173 -1.952 461 HB3 GLU 65 HB1 GLU 65 -8.664 -6.444 -3.045 462 HG2 GLU 65 HG2 GLU 65 -9.499 -7.420 -1.021 463 HG3 GLU 65 HG1 GLU 65 -7.761 -7.690 -1.127 464 H ASP 66 HN ASP 66 -7.858 -2.919 -2.783 465 HA ASP 66 HA ASP 66 -7.889 -3.016 -5.589 466 HB2 ASP 66 HB2 ASP 66 -7.677 -0.632 -3.740 467 HB3 ASP 66 HB1 ASP 66 -8.018 -0.532 -5.465 468 H GLU 67 HN GLU 67 -5.442 -2.179 -3.272 469 HA GLU 67 HA GLU 67 -3.569 -1.066 -5.082 470 HB2 GLU 67 HB2 GLU 67 -3.274 -2.307 -2.348 471 HB3 GLU 67 HB1 GLU 67 -1.908 -1.650 -3.239 472 HG2 GLU 67 HG2 GLU 67 -2.902 0.539 -3.240 473 HG3 GLU 67 HG1 GLU 67 -4.366 -0.087 -2.485 474 H ARG 68 HN ARG 68 -4.211 -4.321 -3.899 475 HA ARG 68 HA ARG 68 -1.984 -5.609 -5.024 476 HB2 ARG 68 HB2 ARG 68 -4.735 -6.517 -4.236 477 HB3 ARG 68 HB1 ARG 68 -3.656 -7.620 -5.077 478 HG2 ARG 68 HG2 ARG 68 -2.961 -6.213 -2.510 479 HG3 ARG 68 HG1 ARG 68 -3.631 -7.844 -2.605 480 HD2 ARG 68 HD2 ARG 68 -1.689 -8.462 -4.057 481 HD3 ARG 68 HD1 ARG 68 -1.001 -6.876 -3.714 482 HE ARG 68 HE ARG 68 -1.596 -8.125 -1.283 483 HH11 ARG 68 HH11 ARG 68 0.585 -8.491 -3.982 484 HH12 ARG 68 HH12 ARG 68 1.830 -9.237 -3.036 485 HH21 ARG 68 HH21 ARG 68 0.039 -9.106 -0.038 486 HH22 ARG 68 HH22 ARG 68 1.519 -9.587 -0.797 487 H ARG 69 HN ARG 69 -5.114 -4.707 -6.334 488 HA ARG 69 HA ARG 69 -4.872 -6.075 -8.803 489 HB2 ARG 69 HB2 ARG 69 -7.032 -5.279 -7.957 490 HB3 ARG 69 HB1 ARG 69 -6.485 -3.614 -8.099 491 HG2 ARG 69 HG2 ARG 69 -7.947 -4.216 -9.940 492 HG3 ARG 69 HG1 ARG 69 -6.318 -3.864 -10.519 493 HD2 ARG 69 HD2 ARG 69 -7.225 -5.837 -11.624 494 HD3 ARG 69 HD1 ARG 69 -5.835 -6.256 -10.626 495 HE ARG 69 HE ARG 69 -7.226 -7.443 -9.206 496 HH11 ARG 69 HH11 ARG 69 -9.123 -5.720 -11.582 497 HH12 ARG 69 HH12 ARG 69 -10.575 -6.598 -11.238 498 HH21 ARG 69 HH21 ARG 69 -9.137 -8.593 -8.756 499 HH22 ARG 69 HH22 ARG 69 -10.584 -8.226 -9.634 500 H ALA 70 HN ALA 70 -3.957 -2.868 -7.691 501 HA ALA 70 HA ALA 70 -3.265 -1.707 -10.141 502 HB1 ALA 70 HB1 ALA 70 -1.836 -0.211 -8.779 503 HB2 ALA 70 HB2 ALA 70 -2.143 -1.249 -7.386 504 HB3 ALA 70 HB3 ALA 70 -3.474 -0.380 -8.149 505 H LEU 71 HN LEU 71 -1.412 -3.644 -7.883 506 HA LEU 71 HA LEU 71 1.071 -3.488 -9.255 507 HB2 LEU 71 HB2 LEU 71 0.787 -4.087 -6.851 508 HB3 LEU 71 HB1 LEU 71 0.107 -5.623 -7.348 509 HG LEU 71 HG LEU 71 2.523 -5.668 -6.629 510 HD11 LEU 71 HD11 LEU 71 1.353 -7.365 -8.112 511 HD12 LEU 71 HD12 LEU 71 3.115 -7.326 -8.177 512 HD13 LEU 71 HD13 LEU 71 2.169 -6.583 -9.465 513 HD21 LEU 71 HD21 LEU 71 2.918 -4.265 -9.269 514 HD22 LEU 71 HD22 LEU 71 4.194 -4.938 -8.254 515 HD23 LEU 71 HD23 LEU 71 3.229 -3.581 -7.673 516 H LYS 72 HN LYS 72 -1.513 -5.923 -9.168 517 HA LYS 72 HA LYS 72 -0.293 -7.765 -10.902 518 HB2 LYS 72 HB2 LYS 72 -2.196 -8.356 -9.473 519 HB3 LYS 72 HB1 LYS 72 -3.232 -7.276 -10.395 520 HG2 LYS 72 HG2 LYS 72 -3.786 -9.229 -11.394 521 HG3 LYS 72 HG1 LYS 72 -2.400 -8.803 -12.398 522 HD2 LYS 72 HD2 LYS 72 -2.377 -10.659 -10.018 523 HD3 LYS 72 HD1 LYS 72 -2.291 -11.140 -11.713 524 HE2 LYS 72 HE2 LYS 72 -0.187 -9.814 -11.906 525 HE3 LYS 72 HE1 LYS 72 -0.257 -9.545 -10.165 526 HZ1 LYS 72 HZ1 LYS 72 -0.142 -11.932 -9.825 527 HZ2 LYS 72 HZ2 LYS 72 1.192 -11.393 -10.713 528 HZ3 LYS 72 HZ3 LYS 72 -0.076 -12.193 -11.495 529 H ARG 73 HN ARG 73 -2.149 -4.890 -11.457 530 HA ARG 73 HA ARG 73 -2.654 -5.341 -14.222 531 HB2 ARG 73 HB2 ARG 73 -2.749 -2.902 -12.462 532 HB3 ARG 73 HB1 ARG 73 -3.003 -2.783 -14.198 533 HG2 ARG 73 HG2 ARG 73 -4.622 -4.525 -12.353 534 HG3 ARG 73 HG1 ARG 73 -5.098 -2.914 -12.894 535 HD2 ARG 73 HD2 ARG 73 -5.032 -3.694 -15.221 536 HD3 ARG 73 HD1 ARG 73 -4.587 -5.305 -14.663 537 HE ARG 73 HE ARG 73 -6.957 -4.563 -13.384 538 HH11 ARG 73 HH11 ARG 73 -5.814 -5.321 -16.593 539 HH12 ARG 73 HH12 ARG 73 -7.346 -5.922 -17.131 540 HH21 ARG 73 HH21 ARG 73 -8.973 -5.353 -14.090 541 HH22 ARG 73 HH22 ARG 73 -9.140 -5.941 -15.712 542 H ARG 74 HN ARG 74 -0.056 -3.860 -12.385 543 HA ARG 74 HA ARG 74 1.264 -2.631 -14.568 544 HB2 ARG 74 HB2 ARG 74 1.727 -2.048 -12.212 545 HB3 ARG 74 HB1 ARG 74 2.437 -3.638 -11.968 546 HG2 ARG 74 HG2 ARG 74 4.114 -3.078 -13.729 547 HG3 ARG 74 HG1 ARG 74 3.460 -1.438 -13.747 548 HD2 ARG 74 HD2 ARG 74 5.410 -1.508 -12.331 549 HD3 ARG 74 HD1 ARG 74 3.975 -1.245 -11.341 550 HE ARG 74 HE ARG 74 4.281 -3.923 -11.252 551 HH11 ARG 74 HH11 ARG 74 6.471 -1.271 -10.662 552 HH12 ARG 74 HH12 ARG 74 7.417 -2.145 -9.505 553 HH21 ARG 74 HH21 ARG 74 5.524 -5.075 -9.732 554 HH22 ARG 74 HH22 ARG 74 6.880 -4.305 -8.977 555 H ASN 75 HN ASN 75 1.596 -5.795 -13.011 556 HA ASN 75 HA ASN 75 3.747 -6.650 -14.679 557 HB2 ASN 75 HB2 ASN 75 1.854 -8.152 -12.870 558 HB3 ASN 75 HB1 ASN 75 3.155 -8.936 -13.762 559 HD21 ASN 75 HD21 ASN 75 5.282 -8.563 -13.173 560 HD22 ASN 75 HD22 ASN 75 5.709 -7.842 -11.662 561 H ALA 76 HN ALA 76 0.265 -6.802 -14.875 562 HA ALA 76 HA ALA 76 0.343 -8.598 -17.163 563 HB1 ALA 76 HB1 ALA 76 -2.012 -7.275 -15.818 564 HB2 ALA 76 HB2 ALA 76 -1.407 -8.896 -15.476 565 HB3 ALA 76 HB3 ALA 76 -2.090 -8.525 -17.059 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 9.512 6.865 16.758 2 H2 MET 1 HT2 MET 1 10.995 6.098 17.029 3 H3 MET 1 HT3 MET 1 9.553 5.228 17.184 4 HA MET 1 HA MET 1 10.638 6.385 14.684 5 HB2 MET 1 HB2 MET 1 10.342 3.508 15.567 6 HB3 MET 1 HB1 MET 1 10.916 4.039 13.992 7 HG2 MET 1 HG2 MET 1 12.834 5.114 15.053 8 HG3 MET 1 HG1 MET 1 12.260 4.578 16.630 9 HE1 MET 1 HE1 MET 1 11.136 1.668 15.888 10 HE2 MET 1 HE2 MET 1 12.084 2.007 17.336 11 HE3 MET 1 HE3 MET 1 12.540 0.674 16.275 12 H ASP 2 HN ASP 2 7.846 5.804 16.370 13 HA ASP 2 HA ASP 2 6.166 4.505 14.564 14 HB2 ASP 2 HB2 ASP 2 5.481 6.710 16.519 15 HB3 ASP 2 HB1 ASP 2 4.317 5.642 15.742 16 H TRP 3 HN TRP 3 7.053 7.916 14.826 17 HA TRP 3 HA TRP 3 5.284 8.924 12.900 18 HB2 TRP 3 HB2 TRP 3 8.050 10.035 13.340 19 HB3 TRP 3 HB1 TRP 3 6.575 10.904 12.931 20 HD1 TRP 3 HD1 TRP 3 5.048 9.101 15.405 21 HE1 TRP 3 HE1 TRP 3 5.304 10.065 17.771 22 HE3 TRP 3 HE3 TRP 3 9.057 12.170 14.602 23 HZ2 TRP 3 HZ2 TRP 3 6.975 11.896 19.125 24 HZ3 TRP 3 HZ3 TRP 3 9.921 13.496 16.486 25 HH2 TRP 3 HH2 TRP 3 8.901 13.362 18.699 26 H ARG 4 HN ARG 4 8.433 7.401 12.603 27 HA ARG 4 HA ARG 4 8.856 8.045 9.870 28 HB2 ARG 4 HB2 ARG 4 10.697 7.395 11.342 29 HB3 ARG 4 HB1 ARG 4 9.993 5.796 11.541 30 HG2 ARG 4 HG2 ARG 4 10.339 5.327 9.182 31 HG3 ARG 4 HG1 ARG 4 10.995 6.949 8.944 32 HD2 ARG 4 HD2 ARG 4 12.161 4.834 10.753 33 HD3 ARG 4 HD1 ARG 4 12.758 5.248 9.148 34 HE ARG 4 HE ARG 4 13.664 7.201 10.000 35 HH11 ARG 4 HH11 ARG 4 11.759 5.593 12.447 36 HH12 ARG 4 HH12 ARG 4 12.392 6.551 13.742 37 HH21 ARG 4 HH21 ARG 4 14.492 8.459 11.704 38 HH22 ARG 4 HH22 ARG 4 13.941 8.177 13.322 39 H HIS 5 HN HIS 5 7.437 5.242 11.514 40 HA HIS 5 HA HIS 5 7.116 3.642 9.219 41 HB2 HIS 5 HB2 HIS 5 5.499 3.691 11.773 42 HB3 HIS 5 HB1 HIS 5 5.432 2.417 10.562 43 HD1 HIS 5 HD1 HIS 5 7.451 3.674 13.400 44 HD2 HIS 5 HD2 HIS 5 7.736 0.752 10.464 45 HE1 HIS 5 HE1 HIS 5 9.314 2.160 14.141 46 HE2 HIS 5 HE2 HIS 5 9.388 0.333 12.412 47 H LYS 6 HN LYS 6 5.134 6.179 10.646 48 HA LYS 6 HA LYS 6 3.082 5.726 8.631 49 HB2 LYS 6 HB2 LYS 6 3.255 7.574 11.007 50 HB3 LYS 6 HB1 LYS 6 1.981 7.724 9.804 51 HG2 LYS 6 HG2 LYS 6 1.113 6.475 11.626 52 HG3 LYS 6 HG1 LYS 6 1.357 5.354 10.285 53 HD2 LYS 6 HD2 LYS 6 3.441 4.589 11.286 54 HD3 LYS 6 HD1 LYS 6 3.246 5.745 12.605 55 HE2 LYS 6 HE2 LYS 6 1.364 3.478 11.963 56 HE3 LYS 6 HE1 LYS 6 2.564 3.478 13.255 57 HZ1 LYS 6 HZ1 LYS 6 0.371 4.029 14.092 58 HZ2 LYS 6 HZ2 LYS 6 0.260 5.340 13.030 59 HZ3 LYS 6 HZ3 LYS 6 1.413 5.351 14.267 60 H ALA 7 HN ALA 7 5.964 7.237 8.914 61 HA ALA 7 HA ALA 7 5.493 9.678 7.540 62 HB1 ALA 7 HB1 ALA 7 8.067 8.096 7.652 63 HB2 ALA 7 HB2 ALA 7 7.544 9.227 8.898 64 HB3 ALA 7 HB3 ALA 7 7.889 9.806 7.269 65 H VAL 8 HN VAL 8 6.553 6.442 6.672 66 HA VAL 8 HA VAL 8 6.503 7.044 3.868 67 HB VAL 8 HB VAL 8 6.560 4.235 4.913 68 HG11 VAL 8 HG11 VAL 8 7.899 5.649 2.605 69 HG12 VAL 8 HG12 VAL 8 6.497 4.583 2.506 70 HG13 VAL 8 HG13 VAL 8 8.065 3.935 2.989 71 HG21 VAL 8 HG21 VAL 8 8.140 5.352 6.350 72 HG22 VAL 8 HG22 VAL 8 8.850 6.206 4.979 73 HG23 VAL 8 HG23 VAL 8 9.040 4.458 5.124 74 H CYS 9 HN CYS 9 4.268 6.043 6.302 75 HA CYS 9 HA CYS 9 2.321 4.670 4.865 76 HB2 CYS 9 HB2 CYS 9 2.270 6.481 7.213 77 HB3 CYS 9 HB1 CYS 9 0.751 6.300 6.370 78 H ARG 10 HN ARG 10 2.192 8.137 5.593 79 HA ARG 10 HA ARG 10 0.363 8.725 3.502 80 HB2 ARG 10 HB2 ARG 10 1.944 10.353 5.445 81 HB3 ARG 10 HB1 ARG 10 1.142 11.154 4.103 82 HG2 ARG 10 HG2 ARG 10 -0.187 11.167 6.173 83 HG3 ARG 10 HG1 ARG 10 -1.002 10.354 4.837 84 HD2 ARG 10 HD2 ARG 10 0.642 8.719 6.701 85 HD3 ARG 10 HD1 ARG 10 -0.923 9.305 7.258 86 HE ARG 10 HE ARG 10 -0.985 8.003 4.686 87 HH11 ARG 10 HH11 ARG 10 -1.210 7.567 8.142 88 HH12 ARG 10 HH12 ARG 10 -2.116 6.096 8.022 89 HH21 ARG 10 HH21 ARG 10 -2.175 6.070 4.528 90 HH22 ARG 10 HH22 ARG 10 -2.663 5.245 5.971 91 H ASP 11 HN ASP 11 3.788 8.530 3.612 92 HA ASP 11 HA ASP 11 4.211 10.224 1.313 93 HB2 ASP 11 HB2 ASP 11 6.046 8.563 3.013 94 HB3 ASP 11 HB1 ASP 11 6.602 9.325 1.529 95 H GLU 12 HN GLU 12 2.740 7.421 1.333 96 HA GLU 12 HA GLU 12 4.316 5.953 -0.577 97 HB2 GLU 12 HB2 GLU 12 2.492 4.345 -0.517 98 HB3 GLU 12 HB1 GLU 12 2.909 4.821 1.120 99 HG2 GLU 12 HG2 GLU 12 0.997 6.398 1.095 100 HG3 GLU 12 HG1 GLU 12 0.546 5.769 -0.485 101 H ASP 13 HN ASP 13 1.607 5.251 -1.953 102 HA ASP 13 HA ASP 13 1.703 7.530 -3.803 103 HB2 ASP 13 HB2 ASP 13 2.482 5.248 -4.670 104 HB3 ASP 13 HB1 ASP 13 0.799 4.741 -4.582 105 HA PRO 14 HA PRO 14 -2.434 8.443 -2.428 106 HB2 PRO 14 HB2 PRO 14 -3.142 9.792 -4.777 107 HB3 PRO 14 HB1 PRO 14 -2.423 10.524 -3.341 108 HG2 PRO 14 HG2 PRO 14 -1.128 9.663 -5.883 109 HG3 PRO 14 HG1 PRO 14 -0.756 11.050 -4.842 110 HD2 PRO 14 HD2 PRO 14 0.786 8.859 -4.853 111 HD3 PRO 14 HD1 PRO 14 0.474 9.760 -3.353 112 H GLU 15 HN GLU 15 -1.553 6.913 -5.422 113 HA GLU 15 HA GLU 15 -4.174 6.127 -6.190 114 HB2 GLU 15 HB2 GLU 15 -1.486 4.963 -6.988 115 HB3 GLU 15 HB1 GLU 15 -3.022 4.659 -7.793 116 HG2 GLU 15 HG2 GLU 15 -1.645 7.326 -7.579 117 HG3 GLU 15 HG1 GLU 15 -1.685 6.287 -9.003 118 H LEU 16 HN LEU 16 -1.918 4.949 -3.872 119 HA LEU 16 HA LEU 16 -2.868 2.258 -3.785 120 HB2 LEU 16 HB2 LEU 16 -1.387 3.805 -1.648 121 HB3 LEU 16 HB1 LEU 16 -1.594 2.066 -1.699 122 HG LEU 16 HG LEU 16 0.322 3.766 -3.133 123 HD11 LEU 16 HD11 LEU 16 1.591 1.628 -3.257 124 HD12 LEU 16 HD12 LEU 16 0.242 0.844 -2.415 125 HD13 LEU 16 HD13 LEU 16 1.157 2.114 -1.606 126 HD21 LEU 16 HD21 LEU 16 0.387 2.135 -5.025 127 HD22 LEU 16 HD22 LEU 16 -0.948 3.286 -5.044 128 HD23 LEU 16 HD23 LEU 16 -1.220 1.624 -4.529 129 H PHE 17 HN PHE 17 -4.194 5.175 -2.808 130 HA PHE 17 HA PHE 17 -5.920 3.887 -0.815 131 HB2 PHE 17 HB2 PHE 17 -5.560 6.824 -1.459 132 HB3 PHE 17 HB1 PHE 17 -6.583 6.172 -0.184 133 HD1 PHE 17 HD1 PHE 17 -5.623 5.270 1.845 134 HD2 PHE 17 HD2 PHE 17 -3.156 6.853 -1.240 135 HE1 PHE 17 HE1 PHE 17 -3.722 5.338 3.405 136 HE2 PHE 17 HE2 PHE 17 -1.250 6.923 0.315 137 HZ PHE 17 HZ PHE 17 -1.532 6.165 2.640 138 H PHE 18 HN PHE 18 -5.812 4.727 -4.069 139 HA PHE 18 HA PHE 18 -8.745 4.576 -4.244 140 HB2 PHE 18 HB2 PHE 18 -6.936 6.412 -5.823 141 HB3 PHE 18 HB1 PHE 18 -8.640 6.148 -6.180 142 HD1 PHE 18 HD1 PHE 18 -6.386 7.226 -3.421 143 HD2 PHE 18 HD2 PHE 18 -10.229 7.522 -5.225 144 HE1 PHE 18 HE1 PHE 18 -6.988 9.009 -1.836 145 HE2 PHE 18 HE2 PHE 18 -10.838 9.306 -3.645 146 HZ PHE 18 HZ PHE 18 -9.217 10.052 -1.948 147 HA PRO 19 HA PRO 19 -7.610 1.066 -6.801 148 HB2 PRO 19 HB2 PRO 19 -10.455 1.241 -7.614 149 HB3 PRO 19 HB1 PRO 19 -9.558 -0.123 -6.942 150 HG2 PRO 19 HG2 PRO 19 -11.331 1.216 -5.465 151 HG3 PRO 19 HG1 PRO 19 -9.822 0.606 -4.760 152 HD2 PRO 19 HD2 PRO 19 -10.538 3.389 -5.591 153 HD3 PRO 19 HD1 PRO 19 -9.619 2.835 -4.176 154 H VAL 20 HN VAL 20 -6.871 0.957 -8.849 155 HA VAL 20 HA VAL 20 -7.257 3.185 -10.619 156 HB VAL 20 HB VAL 20 -5.816 0.595 -11.184 157 HG11 VAL 20 HG11 VAL 20 -5.636 3.330 -12.440 158 HG12 VAL 20 HG12 VAL 20 -6.274 1.865 -13.185 159 HG13 VAL 20 HG13 VAL 20 -4.559 1.981 -12.797 160 HG21 VAL 20 HG21 VAL 20 -4.962 1.647 -9.154 161 HG22 VAL 20 HG22 VAL 20 -4.735 3.160 -10.031 162 HG23 VAL 20 HG23 VAL 20 -3.789 1.736 -10.467 163 H GLY 21 HN GLY 21 -8.003 3.053 -12.783 164 HA2 GLY 21 HA2 GLY 21 -9.234 0.800 -13.921 165 HA3 GLY 21 HA1 GLY 21 -10.462 1.735 -13.084 166 H ASN 22 HN ASN 22 -8.455 4.098 -13.939 167 HA ASN 22 HA ASN 22 -9.617 4.360 -16.626 168 HB2 ASN 22 HB2 ASN 22 -9.206 6.539 -14.574 169 HB3 ASN 22 HB1 ASN 22 -9.788 6.788 -16.217 170 HD21 ASN 22 HD21 ASN 22 -10.538 5.550 -13.063 171 HD22 ASN 22 HD22 ASN 22 -12.241 5.389 -13.307 172 H SER 23 HN SER 23 -6.715 4.375 -14.785 173 HA SER 23 HA SER 23 -5.302 5.360 -17.165 174 HB2 SER 23 HB2 SER 23 -3.713 6.583 -15.722 175 HB3 SER 23 HB1 SER 23 -5.356 7.212 -15.574 176 HG SER 23 HG SER 23 -4.190 6.864 -13.557 177 H GLY 24 HN GLY 24 -3.156 4.667 -17.413 178 HA2 GLY 24 HA2 GLY 24 -2.639 2.047 -16.261 179 HA3 GLY 24 HA1 GLY 24 -1.767 2.788 -17.598 180 HA PRO 25 HA PRO 25 1.343 4.760 -15.080 181 HB2 PRO 25 HB2 PRO 25 -0.295 7.191 -14.503 182 HB3 PRO 25 HB1 PRO 25 1.378 7.074 -15.064 183 HG2 PRO 25 HG2 PRO 25 -0.566 7.720 -16.757 184 HG3 PRO 25 HG1 PRO 25 0.751 6.643 -17.257 185 HD2 PRO 25 HD2 PRO 25 -2.072 5.989 -16.560 186 HD3 PRO 25 HD1 PRO 25 -1.006 5.241 -17.764 187 H ALA 26 HN ALA 26 -1.913 4.817 -13.861 188 HA ALA 26 HA ALA 26 -1.356 5.348 -11.156 189 HB1 ALA 26 HB1 ALA 26 -3.648 4.933 -12.504 190 HB2 ALA 26 HB2 ALA 26 -3.521 4.856 -10.745 191 HB3 ALA 26 HB3 ALA 26 -3.478 3.370 -11.697 192 H LEU 27 HN LEU 27 -1.151 2.444 -13.053 193 HA LEU 27 HA LEU 27 -0.788 0.644 -10.880 194 HB2 LEU 27 HB2 LEU 27 0.058 0.447 -13.766 195 HB3 LEU 27 HB1 LEU 27 0.109 -0.880 -12.625 196 HG LEU 27 HG LEU 27 -1.840 -1.319 -13.786 197 HD11 LEU 27 HD11 LEU 27 -2.338 -1.322 -11.436 198 HD12 LEU 27 HD12 LEU 27 -3.736 -0.725 -12.329 199 HD13 LEU 27 HD13 LEU 27 -2.689 0.405 -11.468 200 HD21 LEU 27 HD21 LEU 27 -2.555 1.606 -13.718 201 HD22 LEU 27 HD22 LEU 27 -3.426 0.322 -14.553 202 HD23 LEU 27 HD23 LEU 27 -1.807 0.776 -15.081 203 H ALA 28 HN ALA 28 1.371 2.431 -13.008 204 HA ALA 28 HA ALA 28 3.757 1.366 -11.875 205 HB1 ALA 28 HB1 ALA 28 3.724 2.338 -14.126 206 HB2 ALA 28 HB2 ALA 28 4.909 3.143 -13.098 207 HB3 ALA 28 HB3 ALA 28 3.363 3.919 -13.435 208 H GLN 29 HN GLN 29 1.692 4.070 -11.234 209 HA GLN 29 HA GLN 29 3.443 5.425 -9.408 210 HB2 GLN 29 HB2 GLN 29 0.462 5.545 -9.939 211 HB3 GLN 29 HB1 GLN 29 1.225 6.514 -8.682 212 HG2 GLN 29 HG2 GLN 29 1.894 6.607 -11.614 213 HG3 GLN 29 HG1 GLN 29 0.910 7.779 -10.739 214 HE21 GLN 29 HE21 GLN 29 1.898 9.198 -9.302 215 HE22 GLN 29 HE22 GLN 29 3.602 9.478 -9.315 216 H ILE 30 HN ILE 30 0.606 3.379 -9.057 217 HA ILE 30 HA ILE 30 0.632 3.092 -6.325 218 HB ILE 30 HB ILE 30 -0.382 1.324 -8.530 219 HG12 ILE 30 HG12 ILE 30 -1.753 3.094 -6.504 220 HG13 ILE 30 HG11 ILE 30 -1.582 3.400 -8.223 221 HG21 ILE 30 HG21 ILE 30 -0.469 -0.383 -7.142 222 HG22 ILE 30 HG22 ILE 30 -1.671 0.520 -6.216 223 HG23 ILE 30 HG23 ILE 30 0.033 0.617 -5.773 224 HD11 ILE 30 HD11 ILE 30 -3.809 2.660 -7.729 225 HD12 ILE 30 HD12 ILE 30 -3.184 1.207 -6.947 226 HD13 ILE 30 HD13 ILE 30 -2.970 1.437 -8.681 227 H ALA 31 HN ALA 31 2.191 1.191 -8.805 228 HA ALA 31 HA ALA 31 3.177 -0.867 -7.178 229 HB1 ALA 31 HB1 ALA 31 4.749 -1.314 -8.994 230 HB2 ALA 31 HB2 ALA 31 4.361 0.244 -9.723 231 HB3 ALA 31 HB3 ALA 31 3.128 -1.013 -9.620 232 H ASP 32 HN ASP 32 4.173 2.395 -7.644 233 HA ASP 32 HA ASP 32 6.907 2.039 -6.873 234 HB2 ASP 32 HB2 ASP 32 5.189 4.507 -7.134 235 HB3 ASP 32 HB1 ASP 32 6.887 4.554 -6.667 236 H ALA 33 HN ALA 33 3.950 3.143 -5.343 237 HA ALA 33 HA ALA 33 5.166 3.714 -2.852 238 HB1 ALA 33 HB1 ALA 33 2.381 3.336 -3.795 239 HB2 ALA 33 HB2 ALA 33 3.136 4.698 -2.976 240 HB3 ALA 33 HB3 ALA 33 2.701 3.261 -2.062 241 H LYS 34 HN LYS 34 3.839 0.812 -4.301 242 HA LYS 34 HA LYS 34 3.743 -0.826 -2.038 243 HB2 LYS 34 HB2 LYS 34 2.705 -1.774 -3.871 244 HB3 LYS 34 HB1 LYS 34 3.987 -1.302 -4.976 245 HG2 LYS 34 HG2 LYS 34 3.862 -3.730 -4.653 246 HG3 LYS 34 HG1 LYS 34 5.411 -3.063 -4.140 247 HD2 LYS 34 HD2 LYS 34 4.814 -4.586 -2.453 248 HD3 LYS 34 HD1 LYS 34 4.420 -2.998 -1.794 249 HE2 LYS 34 HE2 LYS 34 2.086 -3.308 -2.360 250 HE3 LYS 34 HE1 LYS 34 2.454 -4.859 -3.116 251 HZ1 LYS 34 HZ1 LYS 34 1.599 -5.253 -0.939 252 HZ2 LYS 34 HZ2 LYS 34 2.699 -4.179 -0.237 253 HZ3 LYS 34 HZ3 LYS 34 3.249 -5.627 -0.916 254 H LEU 35 HN LEU 35 6.437 -0.234 -4.323 255 HA LEU 35 HA LEU 35 8.217 -2.053 -3.078 256 HB2 LEU 35 HB2 LEU 35 8.642 0.336 -4.851 257 HB3 LEU 35 HB1 LEU 35 10.001 -0.532 -4.162 258 HG LEU 35 HG LEU 35 9.671 -1.357 -6.372 259 HD11 LEU 35 HD11 LEU 35 9.311 -3.697 -5.984 260 HD12 LEU 35 HD12 LEU 35 8.432 -3.359 -4.494 261 HD13 LEU 35 HD13 LEU 35 10.159 -3.020 -4.594 262 HD21 LEU 35 HD21 LEU 35 7.483 -2.385 -7.019 263 HD22 LEU 35 HD22 LEU 35 7.453 -0.634 -6.820 264 HD23 LEU 35 HD23 LEU 35 6.793 -1.673 -5.559 265 H VAL 36 HN VAL 36 7.448 1.301 -2.570 266 HA VAL 36 HA VAL 36 9.528 1.846 -0.706 267 HB VAL 36 HB VAL 36 6.868 3.253 -0.998 268 HG11 VAL 36 HG11 VAL 36 8.258 3.614 1.116 269 HG12 VAL 36 HG12 VAL 36 7.776 5.046 0.207 270 HG13 VAL 36 HG13 VAL 36 9.420 4.423 0.066 271 HG21 VAL 36 HG21 VAL 36 7.866 4.691 -2.563 272 HG22 VAL 36 HG22 VAL 36 8.373 3.074 -3.054 273 HG23 VAL 36 HG23 VAL 36 9.490 4.120 -2.179 274 H CYS 37 HN CYS 37 6.114 0.935 -0.306 275 HA CYS 37 HA CYS 37 6.086 1.010 2.516 276 HB2 CYS 37 HB2 CYS 37 4.304 0.144 0.368 277 HB3 CYS 37 HB1 CYS 37 4.170 -0.864 1.804 278 H ASN 38 HN ASN 38 7.563 -1.184 0.378 279 HA ASN 38 HA ASN 38 7.318 -3.510 2.054 280 HB2 ASN 38 HB2 ASN 38 8.873 -2.926 -0.454 281 HB3 ASN 38 HB1 ASN 38 9.043 -4.445 0.420 282 HD21 ASN 38 HD21 ASN 38 8.262 -5.496 -1.462 283 HD22 ASN 38 HD22 ASN 38 6.571 -5.535 -1.812 284 H ARG 39 HN ARG 39 9.667 -0.923 1.700 285 HA ARG 39 HA ARG 39 11.678 -2.406 3.184 286 HB2 ARG 39 HB2 ARG 39 11.689 0.489 2.319 287 HB3 ARG 39 HB1 ARG 39 13.065 -0.420 2.926 288 HG2 ARG 39 HG2 ARG 39 11.575 -1.064 0.390 289 HG3 ARG 39 HG1 ARG 39 13.071 -0.131 0.473 290 HD2 ARG 39 HD2 ARG 39 13.693 -2.347 -0.075 291 HD3 ARG 39 HD1 ARG 39 14.110 -2.118 1.623 292 HE ARG 39 HE ARG 39 11.517 -3.231 1.366 293 HH11 ARG 39 HH11 ARG 39 14.899 -4.055 1.118 294 HH12 ARG 39 HH12 ARG 39 14.650 -5.723 1.511 295 HH21 ARG 39 HH21 ARG 39 11.187 -5.424 1.883 296 HH22 ARG 39 HH22 ARG 39 12.542 -6.501 1.945 297 H CYS 40 HN CYS 40 8.964 -0.646 3.987 298 HA CYS 40 HA CYS 40 9.938 0.610 6.372 299 HB2 CYS 40 HB2 CYS 40 8.095 1.689 5.463 300 HB3 CYS 40 HB1 CYS 40 7.266 0.187 5.094 301 HA PRO 41 HA PRO 41 10.014 -2.890 9.051 302 HB2 PRO 41 HB2 PRO 41 8.957 -1.078 11.155 303 HB3 PRO 41 HB1 PRO 41 10.417 -2.066 11.145 304 HG2 PRO 41 HG2 PRO 41 10.548 0.580 10.834 305 HG3 PRO 41 HG1 PRO 41 11.628 -0.505 9.941 306 HD2 PRO 41 HD2 PRO 41 9.189 0.944 8.996 307 HD3 PRO 41 HD1 PRO 41 10.720 0.639 8.150 308 H VAL 42 HN VAL 42 7.387 -1.192 10.692 309 HA VAL 42 HA VAL 42 5.092 -2.114 9.667 310 HB VAL 42 HB VAL 42 5.912 -4.412 9.611 311 HG11 VAL 42 HG11 VAL 42 6.237 -4.136 12.596 312 HG12 VAL 42 HG12 VAL 42 7.540 -4.281 11.416 313 HG13 VAL 42 HG13 VAL 42 6.429 -5.626 11.675 314 HG21 VAL 42 HG21 VAL 42 4.108 -5.508 10.854 315 HG22 VAL 42 HG22 VAL 42 3.535 -4.075 10.001 316 HG23 VAL 42 HG23 VAL 42 3.814 -4.011 11.740 317 H THR 43 HN THR 43 3.421 -1.445 10.924 318 HA THR 43 HA THR 43 3.905 -1.087 13.804 319 HB THR 43 HB THR 43 2.732 1.066 13.759 320 HG1 THR 43 HG1 THR 43 2.621 2.013 11.514 321 HG21 THR 43 HG21 THR 43 4.500 2.395 12.795 322 HG22 THR 43 HG22 THR 43 5.083 1.005 11.880 323 HG23 THR 43 HG23 THR 43 5.178 1.007 13.641 324 H THR 44 HN THR 44 1.875 -0.511 14.975 325 HA THR 44 HA THR 44 -0.070 -2.472 14.676 326 HB THR 44 HB THR 44 -0.425 0.238 15.984 327 HG1 THR 44 HG1 THR 44 0.330 -2.215 17.213 328 HG21 THR 44 HG21 THR 44 -2.126 -0.895 17.343 329 HG22 THR 44 HG22 THR 44 -1.882 -2.373 16.412 330 HG23 THR 44 HG23 THR 44 -2.540 -0.937 15.629 331 H GLU 45 HN GLU 45 0.337 0.636 13.168 332 HA GLU 45 HA GLU 45 -2.289 1.112 12.286 333 HB2 GLU 45 HB2 GLU 45 -0.499 2.786 12.125 334 HB3 GLU 45 HB1 GLU 45 0.332 1.796 10.933 335 HG2 GLU 45 HG2 GLU 45 -0.849 3.627 9.874 336 HG3 GLU 45 HG1 GLU 45 -1.531 2.076 9.388 337 H CYS 46 HN CYS 46 0.375 -0.703 10.833 338 HA CYS 46 HA CYS 46 -1.026 -1.421 8.471 339 HB2 CYS 46 HB2 CYS 46 1.593 -1.686 9.468 340 HB3 CYS 46 HB1 CYS 46 1.030 -3.324 9.156 341 H LEU 47 HN LEU 47 -0.406 -3.123 11.536 342 HA LEU 47 HA LEU 47 -1.655 -5.545 10.791 343 HB2 LEU 47 HB2 LEU 47 -1.189 -4.300 13.497 344 HB3 LEU 47 HB1 LEU 47 -1.885 -5.894 13.286 345 HG LEU 47 HG LEU 47 0.233 -6.510 12.024 346 HD11 LEU 47 HD11 LEU 47 1.076 -4.326 11.522 347 HD12 LEU 47 HD12 LEU 47 2.212 -5.127 12.608 348 HD13 LEU 47 HD13 LEU 47 1.110 -3.899 13.232 349 HD21 LEU 47 HD21 LEU 47 0.431 -5.763 14.938 350 HD22 LEU 47 HD22 LEU 47 1.494 -6.887 14.091 351 HD23 LEU 47 HD23 LEU 47 -0.216 -7.269 14.290 352 H SER 48 HN SER 48 -2.832 -2.714 12.547 353 HA SER 48 HA SER 48 -5.443 -3.629 12.990 354 HB2 SER 48 HB2 SER 48 -4.524 -1.686 14.169 355 HB3 SER 48 HB1 SER 48 -4.461 -0.786 12.653 356 HG SER 48 HG SER 48 -6.389 -0.633 14.226 357 H TRP 49 HN TRP 49 -3.947 -2.069 10.266 358 HA TRP 49 HA TRP 49 -6.255 -1.380 8.824 359 HB2 TRP 49 HB2 TRP 49 -4.017 -0.538 8.243 360 HB3 TRP 49 HB1 TRP 49 -3.528 -2.161 7.766 361 HD1 TRP 49 HD1 TRP 49 -4.384 -3.067 5.419 362 HE1 TRP 49 HE1 TRP 49 -5.432 -1.892 3.381 363 HE3 TRP 49 HE3 TRP 49 -5.598 1.400 7.591 364 HZ2 TRP 49 HZ2 TRP 49 -6.615 0.598 2.776 365 HZ3 TRP 49 HZ3 TRP 49 -6.685 3.125 6.213 366 HH2 TRP 49 HH2 TRP 49 -7.183 2.731 3.856 367 H ALA 50 HN ALA 50 -4.250 -4.312 8.755 368 HA ALA 50 HA ALA 50 -5.748 -5.668 6.785 369 HB1 ALA 50 HB1 ALA 50 -4.609 -7.682 7.563 370 HB2 ALA 50 HB2 ALA 50 -4.070 -6.830 9.010 371 HB3 ALA 50 HB3 ALA 50 -3.479 -6.336 7.424 372 H LEU 51 HN LEU 51 -6.002 -5.508 10.298 373 HA LEU 51 HA LEU 51 -8.023 -7.486 10.537 374 HB2 LEU 51 HB2 LEU 51 -7.263 -5.231 12.388 375 HB3 LEU 51 HB1 LEU 51 -8.361 -6.532 12.804 376 HG LEU 51 HG LEU 51 -5.429 -6.831 12.155 377 HD11 LEU 51 HD11 LEU 51 -6.934 -7.130 14.749 378 HD12 LEU 51 HD12 LEU 51 -5.828 -5.821 14.334 379 HD13 LEU 51 HD13 LEU 51 -5.220 -7.469 14.505 380 HD21 LEU 51 HD21 LEU 51 -7.468 -8.897 12.974 381 HD22 LEU 51 HD22 LEU 51 -5.735 -9.172 12.795 382 HD23 LEU 51 HD23 LEU 51 -6.712 -8.755 11.387 383 H ASN 52 HN ASN 52 -8.028 -4.047 10.010 384 HA ASN 52 HA ASN 52 -10.809 -3.657 10.469 385 HB2 ASN 52 HB2 ASN 52 -8.720 -1.996 9.072 386 HB3 ASN 52 HB1 ASN 52 -10.398 -1.483 9.209 387 HD21 ASN 52 HD21 ASN 52 -9.803 0.313 10.428 388 HD22 ASN 52 HD22 ASN 52 -9.330 0.176 12.084 389 H THR 53 HN THR 53 -8.897 -4.597 7.738 390 HA THR 53 HA THR 53 -11.256 -4.471 5.990 391 HB THR 53 HB THR 53 -9.764 -4.648 4.112 392 HG1 THR 53 HG1 THR 53 -7.429 -4.739 4.603 393 HG21 THR 53 HG21 THR 53 -8.685 -2.727 6.175 394 HG22 THR 53 HG22 THR 53 -10.001 -2.417 5.041 395 HG23 THR 53 HG23 THR 53 -8.357 -2.644 4.445 396 H GLY 54 HN GLY 54 -9.708 -6.618 7.966 397 HA2 GLY 54 HA2 GLY 54 -9.870 -8.891 8.224 398 HA3 GLY 54 HA1 GLY 54 -11.165 -8.843 7.038 399 H GLN 55 HN GLN 55 -7.811 -7.854 6.477 400 HA GLN 55 HA GLN 55 -7.686 -9.840 4.334 401 HB2 GLN 55 HB2 GLN 55 -5.957 -7.457 4.998 402 HB3 GLN 55 HB1 GLN 55 -5.585 -8.589 3.706 403 HG2 GLN 55 HG2 GLN 55 -7.641 -8.023 2.570 404 HG3 GLN 55 HG1 GLN 55 -8.105 -6.954 3.895 405 HE21 GLN 55 HE21 GLN 55 -5.976 -7.407 1.181 406 HE22 GLN 55 HE22 GLN 55 -5.439 -5.769 1.071 407 H ASP 56 HN ASP 56 -6.485 -11.621 4.427 408 HA ASP 56 HA ASP 56 -5.072 -12.263 6.850 409 HB2 ASP 56 HB2 ASP 56 -5.362 -13.819 4.271 410 HB3 ASP 56 HB1 ASP 56 -4.679 -14.448 5.766 411 H SER 57 HN SER 57 -3.198 -11.131 7.085 412 HA SER 57 HA SER 57 -1.030 -11.816 5.301 413 HB2 SER 57 HB2 SER 57 -1.854 -8.925 5.659 414 HB3 SER 57 HB1 SER 57 -0.381 -9.473 4.859 415 HG SER 57 HG SER 57 -1.896 -10.699 3.457 416 H GLY 58 HN GLY 58 1.003 -11.550 6.209 417 HA2 GLY 58 HA2 GLY 58 1.167 -10.356 8.880 418 HA3 GLY 58 HA1 GLY 58 1.600 -12.050 8.706 419 H VAL 59 HN VAL 59 2.335 -10.155 5.975 420 HA VAL 59 HA VAL 59 5.178 -10.379 6.564 421 HB VAL 59 HB VAL 59 3.850 -9.442 4.017 422 HG11 VAL 59 HG11 VAL 59 6.665 -10.302 4.657 423 HG12 VAL 59 HG12 VAL 59 6.122 -8.720 4.094 424 HG13 VAL 59 HG13 VAL 59 6.043 -10.114 3.017 425 HG21 VAL 59 HG21 VAL 59 4.253 -11.709 3.170 426 HG22 VAL 59 HG22 VAL 59 3.139 -11.707 4.537 427 HG23 VAL 59 HG23 VAL 59 4.818 -12.198 4.769 428 H TRP 60 HN TRP 60 6.624 -8.554 6.062 429 HA TRP 60 HA TRP 60 5.604 -6.121 7.240 430 HB2 TRP 60 HB2 TRP 60 8.371 -6.766 6.196 431 HB3 TRP 60 HB1 TRP 60 7.936 -5.359 7.161 432 HD1 TRP 60 HD1 TRP 60 7.692 -5.688 9.765 433 HE1 TRP 60 HE1 TRP 60 8.272 -7.626 11.357 434 HE3 TRP 60 HE3 TRP 60 8.423 -9.383 6.310 435 HZ2 TRP 60 HZ2 TRP 60 8.949 -10.360 11.171 436 HZ3 TRP 60 HZ3 TRP 60 9.035 -11.632 7.099 437 HH2 TRP 60 HH2 TRP 60 9.292 -12.109 9.480 438 H GLY 61 HN GLY 61 4.284 -5.067 5.825 439 HA2 GLY 61 HA2 GLY 61 5.535 -3.620 3.693 440 HA3 GLY 61 HA1 GLY 61 4.447 -4.863 3.094 441 H GLY 62 HN GLY 62 2.197 -4.718 3.602 442 HA2 GLY 62 HA2 GLY 62 0.375 -3.518 4.667 443 HA3 GLY 62 HA1 GLY 62 1.353 -2.064 4.568 444 H MET 63 HN MET 63 -0.611 -4.331 2.742 445 HA MET 63 HA MET 63 -1.101 -2.201 0.796 446 HB2 MET 63 HB2 MET 63 0.641 -3.582 -0.202 447 HB3 MET 63 HB1 MET 63 -0.324 -5.027 0.064 448 HG2 MET 63 HG2 MET 63 -2.067 -4.006 -1.430 449 HG3 MET 63 HG1 MET 63 -0.882 -2.762 -1.820 450 HE1 MET 63 HE1 MET 63 -1.636 -6.615 -1.879 451 HE2 MET 63 HE2 MET 63 -0.047 -6.546 -1.117 452 HE3 MET 63 HE3 MET 63 -0.223 -7.238 -2.728 453 H SER 64 HN SER 64 -3.164 -2.086 0.093 454 HA SER 64 HA SER 64 -5.129 -3.809 1.291 455 HB2 SER 64 HB2 SER 64 -6.761 -2.248 0.343 456 HB3 SER 64 HB1 SER 64 -5.494 -1.365 1.192 457 HG SER 64 HG SER 64 -5.169 -0.357 -0.609 458 H GLU 65 HN GLU 65 -6.931 -4.600 -0.089 459 HA GLU 65 HA GLU 65 -6.003 -6.410 -2.007 460 HB2 GLU 65 HB2 GLU 65 -8.817 -5.364 -1.640 461 HB3 GLU 65 HB1 GLU 65 -8.375 -6.813 -2.532 462 HG2 GLU 65 HG2 GLU 65 -7.503 -7.808 -0.473 463 HG3 GLU 65 HG1 GLU 65 -7.977 -6.361 0.416 464 H ASP 66 HN ASP 66 -7.549 -3.244 -2.383 465 HA ASP 66 HA ASP 66 -7.766 -3.284 -5.183 466 HB2 ASP 66 HB2 ASP 66 -7.455 -0.936 -3.303 467 HB3 ASP 66 HB1 ASP 66 -7.909 -0.805 -4.999 468 H GLU 67 HN GLU 67 -5.210 -2.309 -3.025 469 HA GLU 67 HA GLU 67 -3.479 -1.189 -4.945 470 HB2 GLU 67 HB2 GLU 67 -2.962 -2.439 -2.248 471 HB3 GLU 67 HB1 GLU 67 -1.689 -1.715 -3.221 472 HG2 GLU 67 HG2 GLU 67 -2.711 0.431 -3.093 473 HG3 GLU 67 HG1 GLU 67 -4.155 -0.240 -2.338 474 H ARG 68 HN ARG 68 -3.961 -4.467 -3.756 475 HA ARG 68 HA ARG 68 -1.758 -5.684 -4.994 476 HB2 ARG 68 HB2 ARG 68 -3.046 -6.862 -3.310 477 HB3 ARG 68 HB1 ARG 68 -4.488 -6.796 -4.312 478 HG2 ARG 68 HG2 ARG 68 -3.492 -9.008 -4.357 479 HG3 ARG 68 HG1 ARG 68 -3.425 -8.257 -5.952 480 HD2 ARG 68 HD2 ARG 68 -1.087 -7.609 -5.517 481 HD3 ARG 68 HD1 ARG 68 -1.167 -8.432 -3.959 482 HE ARG 68 HE ARG 68 -1.900 -10.254 -5.945 483 HH11 ARG 68 HH11 ARG 68 0.917 -8.473 -4.910 484 HH12 ARG 68 HH12 ARG 68 2.036 -9.659 -5.492 485 HH21 ARG 68 HH21 ARG 68 -0.429 -11.817 -6.711 486 HH22 ARG 68 HH22 ARG 68 1.272 -11.556 -6.514 487 H ARG 69 HN ARG 69 -4.970 -4.851 -6.157 488 HA ARG 69 HA ARG 69 -4.801 -6.200 -8.643 489 HB2 ARG 69 HB2 ARG 69 -6.385 -3.702 -8.008 490 HB3 ARG 69 HB1 ARG 69 -6.693 -4.838 -9.314 491 HG2 ARG 69 HG2 ARG 69 -6.849 -5.546 -6.395 492 HG3 ARG 69 HG1 ARG 69 -8.231 -5.052 -7.375 493 HD2 ARG 69 HD2 ARG 69 -7.908 -6.951 -8.842 494 HD3 ARG 69 HD1 ARG 69 -6.458 -7.420 -7.958 495 HE ARG 69 HE ARG 69 -8.313 -7.446 -6.026 496 HH11 ARG 69 HH11 ARG 69 -8.313 -8.818 -9.236 497 HH12 ARG 69 HH12 ARG 69 -9.342 -10.142 -8.804 498 HH21 ARG 69 HH21 ARG 69 -9.664 -9.185 -5.459 499 HH22 ARG 69 HH22 ARG 69 -10.109 -10.350 -6.661 500 H ALA 70 HN ALA 70 -3.906 -2.995 -7.529 501 HA ALA 70 HA ALA 70 -3.238 -1.855 -10.023 502 HB1 ALA 70 HB1 ALA 70 -1.950 -0.236 -8.648 503 HB2 ALA 70 HB2 ALA 70 -2.314 -1.225 -7.233 504 HB3 ALA 70 HB3 ALA 70 -3.621 -0.454 -8.130 505 H LEU 71 HN LEU 71 -1.487 -3.832 -7.751 506 HA LEU 71 HA LEU 71 1.114 -3.423 -8.852 507 HB2 LEU 71 HB2 LEU 71 0.542 -4.227 -6.517 508 HB3 LEU 71 HB1 LEU 71 0.182 -5.787 -7.230 509 HG LEU 71 HG LEU 71 2.876 -4.447 -7.450 510 HD11 LEU 71 HD11 LEU 71 3.620 -5.937 -5.687 511 HD12 LEU 71 HD12 LEU 71 1.987 -6.579 -5.513 512 HD13 LEU 71 HD13 LEU 71 2.321 -4.896 -5.103 513 HD21 LEU 71 HD21 LEU 71 2.698 -6.031 -9.162 514 HD22 LEU 71 HD22 LEU 71 1.801 -7.161 -8.148 515 HD23 LEU 71 HD23 LEU 71 3.520 -6.891 -7.861 516 H LYS 72 HN LYS 72 -1.299 -6.027 -9.169 517 HA LYS 72 HA LYS 72 0.248 -7.650 -10.868 518 HB2 LYS 72 HB2 LYS 72 -1.799 -8.845 -11.355 519 HB3 LYS 72 HB1 LYS 72 -1.737 -8.459 -9.642 520 HG2 LYS 72 HG2 LYS 72 -3.334 -6.721 -9.888 521 HG3 LYS 72 HG1 LYS 72 -3.247 -6.809 -11.649 522 HD2 LYS 72 HD2 LYS 72 -4.161 -9.096 -11.554 523 HD3 LYS 72 HD1 LYS 72 -4.300 -8.949 -9.801 524 HE2 LYS 72 HE2 LYS 72 -5.879 -7.141 -10.036 525 HE3 LYS 72 HE1 LYS 72 -5.664 -7.134 -11.785 526 HZ1 LYS 72 HZ1 LYS 72 -6.648 -9.299 -11.923 527 HZ2 LYS 72 HZ2 LYS 72 -7.694 -8.292 -11.054 528 HZ3 LYS 72 HZ3 LYS 72 -6.742 -9.427 -10.238 529 H ARG 73 HN ARG 73 -1.898 -4.982 -11.477 530 HA ARG 73 HA ARG 73 -2.035 -5.331 -14.301 531 HB2 ARG 73 HB2 ARG 73 -2.609 -2.957 -12.529 532 HB3 ARG 73 HB1 ARG 73 -2.856 -2.942 -14.270 533 HG2 ARG 73 HG2 ARG 73 -4.196 -4.837 -12.352 534 HG3 ARG 73 HG1 ARG 73 -4.923 -3.374 -13.016 535 HD2 ARG 73 HD2 ARG 73 -4.663 -4.286 -15.279 536 HD3 ARG 73 HD1 ARG 73 -3.956 -5.750 -14.601 537 HE ARG 73 HE ARG 73 -6.055 -6.430 -13.904 538 HH11 ARG 73 HH11 ARG 73 -6.208 -3.181 -15.180 539 HH12 ARG 73 HH12 ARG 73 -7.935 -3.174 -15.286 540 HH21 ARG 73 HH21 ARG 73 -8.325 -6.415 -14.042 541 HH22 ARG 73 HH22 ARG 73 -9.138 -5.007 -14.639 542 H ARG 74 HN ARG 74 0.105 -3.606 -12.124 543 HA ARG 74 HA ARG 74 1.433 -2.057 -14.090 544 HB2 ARG 74 HB2 ARG 74 1.467 -1.717 -11.564 545 HB3 ARG 74 HB1 ARG 74 2.639 -3.023 -11.498 546 HG2 ARG 74 HG2 ARG 74 3.108 -0.659 -13.265 547 HG3 ARG 74 HG1 ARG 74 3.467 -0.580 -11.540 548 HD2 ARG 74 HD2 ARG 74 4.618 -2.515 -13.546 549 HD3 ARG 74 HD1 ARG 74 5.461 -1.191 -12.748 550 HE ARG 74 HE ARG 74 4.473 -2.832 -10.747 551 HH11 ARG 74 HH11 ARG 74 6.732 -3.075 -13.395 552 HH12 ARG 74 HH12 ARG 74 7.715 -4.266 -12.612 553 HH21 ARG 74 HH21 ARG 74 5.765 -4.397 -9.713 554 HH22 ARG 74 HH22 ARG 74 7.167 -5.016 -10.521 555 H ASN 75 HN ASN 75 2.095 -5.223 -12.650 556 HA ASN 75 HA ASN 75 4.538 -5.643 -14.045 557 HB2 ASN 75 HB2 ASN 75 2.651 -7.591 -12.705 558 HB3 ASN 75 HB1 ASN 75 4.239 -8.022 -13.336 559 HD21 ASN 75 HD21 ASN 75 4.999 -8.630 -11.325 560 HD22 ASN 75 HD22 ASN 75 5.372 -7.481 -10.089 561 H ALA 76 HN ALA 76 1.175 -6.270 -14.761 562 HA ALA 76 HA ALA 76 1.923 -6.977 -17.493 563 HB1 ALA 76 HB1 ALA 76 0.441 -8.909 -17.543 564 HB2 ALA 76 HB2 ALA 76 0.066 -8.682 -15.835 565 HB3 ALA 76 HB3 ALA 76 1.702 -9.120 -16.329 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 9.213 7.968 16.078 2 H2 MET 1 HT2 MET 1 10.528 7.345 16.934 3 H3 MET 1 HT3 MET 1 8.952 6.973 17.421 4 HA MET 1 HA MET 1 10.367 6.071 14.989 5 HB2 MET 1 HB2 MET 1 9.025 4.540 17.228 6 HB3 MET 1 HB1 MET 1 9.868 3.833 15.857 7 HG2 MET 1 HG2 MET 1 11.425 3.693 17.550 8 HG3 MET 1 HG1 MET 1 11.904 5.160 16.700 9 HE1 MET 1 HE1 MET 1 10.117 3.656 19.821 10 HE2 MET 1 HE2 MET 1 8.847 4.703 19.187 11 HE3 MET 1 HE3 MET 1 9.632 5.096 20.717 12 H ASP 2 HN ASP 2 7.241 6.330 16.618 13 HA ASP 2 HA ASP 2 5.716 4.988 14.668 14 HB2 ASP 2 HB2 ASP 2 3.776 6.111 15.696 15 HB3 ASP 2 HB1 ASP 2 4.851 5.423 16.910 16 H TRP 3 HN TRP 3 6.694 8.356 15.011 17 HA TRP 3 HA TRP 3 5.076 9.457 13.000 18 HB2 TRP 3 HB2 TRP 3 7.857 10.407 13.692 19 HB3 TRP 3 HB1 TRP 3 6.511 11.363 13.079 20 HD1 TRP 3 HD1 TRP 3 7.795 9.716 16.286 21 HE1 TRP 3 HE1 TRP 3 6.541 10.723 18.287 22 HE3 TRP 3 HE3 TRP 3 4.349 12.519 13.756 23 HZ2 TRP 3 HZ2 TRP 3 4.379 12.484 18.743 24 HZ3 TRP 3 HZ3 TRP 3 2.723 13.838 15.051 25 HH2 TRP 3 HH2 TRP 3 2.739 13.819 17.493 26 H ARG 4 HN ARG 4 8.286 7.983 12.864 27 HA ARG 4 HA ARG 4 8.758 8.555 10.126 28 HB2 ARG 4 HB2 ARG 4 10.575 8.023 11.681 29 HB3 ARG 4 HB1 ARG 4 9.934 6.399 11.888 30 HG2 ARG 4 HG2 ARG 4 10.366 5.920 9.535 31 HG3 ARG 4 HG1 ARG 4 10.996 7.554 9.317 32 HD2 ARG 4 HD2 ARG 4 12.131 5.446 11.153 33 HD3 ARG 4 HD1 ARG 4 12.800 5.930 9.596 34 HE ARG 4 HE ARG 4 13.578 7.896 10.552 35 HH11 ARG 4 HH11 ARG 4 11.655 6.103 12.855 36 HH12 ARG 4 HH12 ARG 4 12.199 7.029 14.212 37 HH21 ARG 4 HH21 ARG 4 14.288 9.110 12.339 38 HH22 ARG 4 HH22 ARG 4 13.690 8.734 13.921 39 H HIS 5 HN HIS 5 7.276 5.854 11.831 40 HA HIS 5 HA HIS 5 7.140 4.061 9.661 41 HB2 HIS 5 HB2 HIS 5 5.271 4.329 12.031 42 HB3 HIS 5 HB1 HIS 5 5.413 2.917 10.988 43 HD1 HIS 5 HD1 HIS 5 5.921 2.776 14.049 44 HD2 HIS 5 HD2 HIS 5 8.884 3.263 11.180 45 HE1 HIS 5 HE1 HIS 5 8.043 1.968 15.131 46 HE2 HIS 5 HE2 HIS 5 9.805 2.191 13.345 47 H LYS 6 HN LYS 6 5.061 6.680 10.744 48 HA LYS 6 HA LYS 6 3.149 6.096 8.625 49 HB2 LYS 6 HB2 LYS 6 3.135 8.279 10.724 50 HB3 LYS 6 HB1 LYS 6 1.825 7.930 9.604 51 HG2 LYS 6 HG2 LYS 6 2.855 6.058 11.726 52 HG3 LYS 6 HG1 LYS 6 1.392 7.037 11.837 53 HD2 LYS 6 HD2 LYS 6 1.919 4.896 9.777 54 HD3 LYS 6 HD1 LYS 6 0.896 4.717 11.205 55 HE2 LYS 6 HE2 LYS 6 0.459 6.653 8.932 56 HE3 LYS 6 HE1 LYS 6 -0.441 5.164 9.214 57 HZ1 LYS 6 HZ1 LYS 6 -1.655 7.086 10.016 58 HZ2 LYS 6 HZ2 LYS 6 -0.371 7.514 11.029 59 HZ3 LYS 6 HZ3 LYS 6 -1.227 6.083 11.310 60 H ALA 7 HN ALA 7 6.011 7.649 9.028 61 HA ALA 7 HA ALA 7 5.625 9.995 7.475 62 HB1 ALA 7 HB1 ALA 7 8.196 8.467 7.897 63 HB2 ALA 7 HB2 ALA 7 7.550 9.651 9.030 64 HB3 ALA 7 HB3 ALA 7 8.028 10.152 7.410 65 H VAL 8 HN VAL 8 6.807 6.726 6.865 66 HA VAL 8 HA VAL 8 7.019 7.187 4.053 67 HB VAL 8 HB VAL 8 6.857 4.432 5.237 68 HG11 VAL 8 HG11 VAL 8 8.422 5.626 2.946 69 HG12 VAL 8 HG12 VAL 8 6.960 4.649 2.807 70 HG13 VAL 8 HG13 VAL 8 8.445 3.931 3.431 71 HG21 VAL 8 HG21 VAL 8 8.390 5.585 6.703 72 HG22 VAL 8 HG22 VAL 8 9.234 6.293 5.327 73 HG23 VAL 8 HG23 VAL 8 9.317 4.556 5.612 74 H CYS 9 HN CYS 9 4.552 6.236 6.310 75 HA CYS 9 HA CYS 9 2.674 4.966 4.710 76 HB2 CYS 9 HB2 CYS 9 2.598 6.587 7.119 77 HB3 CYS 9 HB1 CYS 9 1.190 6.884 6.125 78 H ARG 10 HN ARG 10 3.082 8.432 5.256 79 HA ARG 10 HA ARG 10 1.300 9.255 3.206 80 HB2 ARG 10 HB2 ARG 10 2.246 11.513 3.609 81 HB3 ARG 10 HB1 ARG 10 1.717 10.711 5.081 82 HG2 ARG 10 HG2 ARG 10 4.003 10.152 5.637 83 HG3 ARG 10 HG1 ARG 10 4.567 10.858 4.122 84 HD2 ARG 10 HD2 ARG 10 4.909 12.393 5.985 85 HD3 ARG 10 HD1 ARG 10 3.747 13.046 4.831 86 HE ARG 10 HE ARG 10 2.340 11.674 6.822 87 HH11 ARG 10 HH11 ARG 10 4.300 14.539 6.458 88 HH12 ARG 10 HH12 ARG 10 3.507 15.395 7.737 89 HH21 ARG 10 HH21 ARG 10 1.297 12.799 8.506 90 HH22 ARG 10 HH22 ARG 10 1.803 14.408 8.901 91 H ASP 11 HN ASP 11 4.598 8.312 3.222 92 HA ASP 11 HA ASP 11 5.283 9.662 0.764 93 HB2 ASP 11 HB2 ASP 11 6.801 7.552 2.304 94 HB3 ASP 11 HB1 ASP 11 7.430 8.482 0.951 95 H GLU 12 HN GLU 12 3.180 7.320 1.120 96 HA GLU 12 HA GLU 12 4.205 5.344 -0.685 97 HB2 GLU 12 HB2 GLU 12 1.976 5.662 1.163 98 HB3 GLU 12 HB1 GLU 12 1.457 4.933 -0.335 99 HG2 GLU 12 HG2 GLU 12 3.186 3.211 -0.080 100 HG3 GLU 12 HG1 GLU 12 3.664 3.946 1.449 101 H ASP 13 HN ASP 13 1.591 5.004 -2.019 102 HA ASP 13 HA ASP 13 1.852 7.188 -3.949 103 HB2 ASP 13 HB2 ASP 13 2.502 4.869 -4.753 104 HB3 ASP 13 HB1 ASP 13 0.810 4.403 -4.590 105 HA PRO 14 HA PRO 14 -2.227 8.423 -2.676 106 HB2 PRO 14 HB2 PRO 14 -2.822 9.684 -5.112 107 HB3 PRO 14 HB1 PRO 14 -2.109 10.450 -3.691 108 HG2 PRO 14 HG2 PRO 14 -0.793 9.435 -6.158 109 HG3 PRO 14 HG1 PRO 14 -0.366 10.823 -5.142 110 HD2 PRO 14 HD2 PRO 14 1.035 8.534 -5.069 111 HD3 PRO 14 HD1 PRO 14 0.767 9.509 -3.608 112 H GLU 15 HN GLU 15 -1.428 6.720 -5.619 113 HA GLU 15 HA GLU 15 -4.085 6.070 -6.367 114 HB2 GLU 15 HB2 GLU 15 -1.448 4.753 -7.073 115 HB3 GLU 15 HB1 GLU 15 -2.997 4.293 -7.762 116 HG2 GLU 15 HG2 GLU 15 -1.770 5.749 -9.260 117 HG3 GLU 15 HG1 GLU 15 -3.269 6.502 -8.720 118 H LEU 16 HN LEU 16 -1.945 4.868 -3.950 119 HA LEU 16 HA LEU 16 -3.170 2.292 -3.699 120 HB2 LEU 16 HB2 LEU 16 -1.121 3.815 -2.192 121 HB3 LEU 16 HB1 LEU 16 -2.020 2.614 -1.278 122 HG LEU 16 HG LEU 16 -1.232 0.838 -2.576 123 HD11 LEU 16 HD11 LEU 16 -1.014 2.909 -4.625 124 HD12 LEU 16 HD12 LEU 16 -1.475 1.219 -4.750 125 HD13 LEU 16 HD13 LEU 16 0.239 1.663 -4.677 126 HD21 LEU 16 HD21 LEU 16 0.795 2.820 -1.860 127 HD22 LEU 16 HD22 LEU 16 1.322 1.651 -3.087 128 HD23 LEU 16 HD23 LEU 16 0.726 1.093 -1.513 129 H PHE 17 HN PHE 17 -4.068 5.417 -2.842 130 HA PHE 17 HA PHE 17 -6.014 4.452 -0.871 131 HB2 PHE 17 HB2 PHE 17 -5.170 7.281 -1.557 132 HB3 PHE 17 HB1 PHE 17 -6.340 6.839 -0.317 133 HD1 PHE 17 HD1 PHE 17 -5.629 5.855 1.773 134 HD2 PHE 17 HD2 PHE 17 -2.804 6.925 -1.225 135 HE1 PHE 17 HE1 PHE 17 -3.811 5.660 3.421 136 HE2 PHE 17 HE2 PHE 17 -0.981 6.730 0.417 137 HZ PHE 17 HZ PHE 17 -1.484 6.098 2.743 138 H PHE 18 HN PHE 18 -5.661 5.142 -4.121 139 HA PHE 18 HA PHE 18 -8.570 5.472 -4.441 140 HB2 PHE 18 HB2 PHE 18 -6.489 6.843 -6.156 141 HB3 PHE 18 HB1 PHE 18 -8.237 7.003 -6.293 142 HD1 PHE 18 HD1 PHE 18 -5.341 8.492 -5.067 143 HD2 PHE 18 HD2 PHE 18 -9.415 7.801 -4.050 144 HE1 PHE 18 HE1 PHE 18 -5.276 10.406 -3.520 145 HE2 PHE 18 HE2 PHE 18 -9.358 9.714 -2.503 146 HZ PHE 18 HZ PHE 18 -7.287 11.019 -2.236 147 HA PRO 19 HA PRO 19 -7.847 1.711 -6.786 148 HB2 PRO 19 HB2 PRO 19 -10.588 2.254 -7.771 149 HB3 PRO 19 HB1 PRO 19 -9.938 0.811 -6.990 150 HG2 PRO 19 HG2 PRO 19 -11.571 2.470 -5.682 151 HG3 PRO 19 HG1 PRO 19 -10.215 1.676 -4.861 152 HD2 PRO 19 HD2 PRO 19 -10.457 4.492 -5.835 153 HD3 PRO 19 HD1 PRO 19 -9.703 3.871 -4.352 154 H VAL 20 HN VAL 20 -6.965 1.444 -8.756 155 HA VAL 20 HA VAL 20 -7.064 3.586 -10.679 156 HB VAL 20 HB VAL 20 -5.689 0.901 -10.841 157 HG11 VAL 20 HG11 VAL 20 -4.325 1.956 -12.593 158 HG12 VAL 20 HG12 VAL 20 -5.334 3.399 -12.495 159 HG13 VAL 20 HG13 VAL 20 -6.028 1.872 -13.041 160 HG21 VAL 20 HG21 VAL 20 -4.597 3.598 -10.050 161 HG22 VAL 20 HG22 VAL 20 -3.673 2.104 -10.198 162 HG23 VAL 20 HG23 VAL 20 -4.915 2.252 -8.956 163 H GLY 21 HN GLY 21 -7.658 3.329 -12.883 164 HA2 GLY 21 HA2 GLY 21 -8.882 1.066 -13.981 165 HA3 GLY 21 HA1 GLY 21 -10.142 2.056 -13.266 166 H ASN 22 HN ASN 22 -7.968 4.302 -14.135 167 HA ASN 22 HA ASN 22 -9.023 4.492 -16.873 168 HB2 ASN 22 HB2 ASN 22 -8.556 6.746 -14.914 169 HB3 ASN 22 HB1 ASN 22 -9.071 6.944 -16.586 170 HD21 ASN 22 HD21 ASN 22 -9.990 5.906 -13.404 171 HD22 ASN 22 HD22 ASN 22 -11.691 5.829 -13.699 172 H SER 23 HN SER 23 -6.199 4.433 -14.927 173 HA SER 23 HA SER 23 -4.639 5.242 -17.284 174 HB2 SER 23 HB2 SER 23 -3.022 6.389 -15.812 175 HB3 SER 23 HB1 SER 23 -4.621 7.134 -15.738 176 HG SER 23 HG SER 23 -4.606 6.735 -13.686 177 H GLY 24 HN GLY 24 -2.536 4.393 -17.432 178 HA2 GLY 24 HA2 GLY 24 -2.256 1.774 -16.205 179 HA3 GLY 24 HA1 GLY 24 -1.277 2.418 -17.515 180 HA PRO 25 HA PRO 25 1.861 4.218 -14.907 181 HB2 PRO 25 HB2 PRO 25 0.386 6.777 -14.456 182 HB3 PRO 25 HB1 PRO 25 2.068 6.523 -14.943 183 HG2 PRO 25 HG2 PRO 25 0.247 7.266 -16.731 184 HG3 PRO 25 HG1 PRO 25 1.500 6.082 -17.150 185 HD2 PRO 25 HD2 PRO 25 -1.390 5.657 -16.557 186 HD3 PRO 25 HD1 PRO 25 -0.335 4.801 -17.699 187 H ALA 26 HN ALA 26 -1.430 4.550 -13.828 188 HA ALA 26 HA ALA 26 -0.939 5.114 -11.113 189 HB1 ALA 26 HB1 ALA 26 -3.151 4.770 -10.762 190 HB2 ALA 26 HB2 ALA 26 -3.182 3.288 -11.716 191 HB3 ALA 26 HB3 ALA 26 -3.206 4.857 -12.525 192 H LEU 27 HN LEU 27 -0.894 2.155 -12.936 193 HA LEU 27 HA LEU 27 -0.745 0.391 -10.719 194 HB2 LEU 27 HB2 LEU 27 0.197 0.058 -13.559 195 HB3 LEU 27 HB1 LEU 27 0.099 -1.239 -12.385 196 HG LEU 27 HG LEU 27 -1.866 -1.604 -13.487 197 HD11 LEU 27 HD11 LEU 27 -2.970 0.608 -11.804 198 HD12 LEU 27 HD12 LEU 27 -2.265 -0.824 -11.060 199 HD13 LEU 27 HD13 LEU 27 -3.649 -0.986 -12.141 200 HD21 LEU 27 HD21 LEU 27 -3.152 0.022 -14.659 201 HD22 LEU 27 HD22 LEU 27 -1.453 0.314 -15.034 202 HD23 LEU 27 HD23 LEU 27 -2.292 1.349 -13.879 203 H ALA 28 HN ALA 28 1.636 1.959 -12.777 204 HA ALA 28 HA ALA 28 3.877 0.739 -11.512 205 HB1 ALA 28 HB1 ALA 28 4.028 1.666 -13.778 206 HB2 ALA 28 HB2 ALA 28 5.219 2.400 -12.705 207 HB3 ALA 28 HB3 ALA 28 3.755 3.284 -13.131 208 H GLN 29 HN GLN 29 1.977 3.587 -11.002 209 HA GLN 29 HA GLN 29 3.740 4.846 -9.122 210 HB2 GLN 29 HB2 GLN 29 0.792 5.168 -9.749 211 HB3 GLN 29 HB1 GLN 29 1.606 6.120 -8.511 212 HG2 GLN 29 HG2 GLN 29 2.365 6.055 -11.419 213 HG3 GLN 29 HG1 GLN 29 1.410 7.314 -10.639 214 HE21 GLN 29 HE21 GLN 29 2.414 8.740 -9.220 215 HE22 GLN 29 HE22 GLN 29 4.130 8.929 -9.168 216 H ILE 30 HN ILE 30 0.761 2.989 -8.857 217 HA ILE 30 HA ILE 30 0.641 2.704 -6.125 218 HB ILE 30 HB ILE 30 -0.340 1.029 -8.404 219 HG12 ILE 30 HG12 ILE 30 -1.653 2.834 -6.376 220 HG13 ILE 30 HG11 ILE 30 -1.523 3.071 -8.109 221 HG21 ILE 30 HG21 ILE 30 -0.411 -0.735 -7.071 222 HG22 ILE 30 HG22 ILE 30 -1.732 0.093 -6.245 223 HG23 ILE 30 HG23 ILE 30 -0.083 0.233 -5.633 224 HD11 ILE 30 HD11 ILE 30 -3.773 2.411 -7.366 225 HD12 ILE 30 HD12 ILE 30 -3.105 0.875 -6.812 226 HD13 ILE 30 HD13 ILE 30 -3.062 1.289 -8.525 227 H ALA 31 HN ALA 31 2.169 0.644 -8.510 228 HA ALA 31 HA ALA 31 2.946 -1.424 -6.787 229 HB1 ALA 31 HB1 ALA 31 2.944 -1.647 -9.226 230 HB2 ALA 31 HB2 ALA 31 4.513 -2.071 -8.541 231 HB3 ALA 31 HB3 ALA 31 4.290 -0.510 -9.330 232 H ASP 32 HN ASP 32 4.230 1.724 -7.332 233 HA ASP 32 HA ASP 32 6.874 1.127 -6.389 234 HB2 ASP 32 HB2 ASP 32 5.465 3.740 -6.937 235 HB3 ASP 32 HB1 ASP 32 7.122 3.643 -6.347 236 H ALA 33 HN ALA 33 3.947 2.581 -5.120 237 HA ALA 33 HA ALA 33 5.142 3.188 -2.601 238 HB1 ALA 33 HB1 ALA 33 2.356 3.166 -3.651 239 HB2 ALA 33 HB2 ALA 33 3.330 4.502 -3.048 240 HB3 ALA 33 HB3 ALA 33 2.661 3.329 -1.921 241 H LYS 34 HN LYS 34 3.396 0.470 -3.967 242 HA LYS 34 HA LYS 34 2.906 -0.946 -1.600 243 HB2 LYS 34 HB2 LYS 34 1.914 -1.556 -3.771 244 HB3 LYS 34 HB1 LYS 34 3.498 -2.051 -4.354 245 HG2 LYS 34 HG2 LYS 34 3.494 -3.650 -2.330 246 HG3 LYS 34 HG1 LYS 34 1.756 -3.352 -2.301 247 HD2 LYS 34 HD2 LYS 34 1.592 -4.109 -4.625 248 HD3 LYS 34 HD1 LYS 34 3.332 -4.404 -4.650 249 HE2 LYS 34 HE2 LYS 34 2.118 -6.479 -4.277 250 HE3 LYS 34 HE1 LYS 34 3.075 -6.053 -2.859 251 HZ1 LYS 34 HZ1 LYS 34 0.159 -5.592 -3.182 252 HZ2 LYS 34 HZ2 LYS 34 1.075 -5.174 -1.823 253 HZ3 LYS 34 HZ3 LYS 34 0.871 -6.801 -2.236 254 H LEU 35 HN LEU 35 5.751 -0.827 -3.722 255 HA LEU 35 HA LEU 35 7.163 -2.898 -2.373 256 HB2 LEU 35 HB2 LEU 35 8.096 -0.651 -4.153 257 HB3 LEU 35 HB1 LEU 35 9.165 -1.890 -3.530 258 HG LEU 35 HG LEU 35 8.591 -3.327 -5.142 259 HD11 LEU 35 HD11 LEU 35 5.697 -2.565 -4.779 260 HD12 LEU 35 HD12 LEU 35 6.521 -3.904 -3.986 261 HD13 LEU 35 HD13 LEU 35 6.301 -3.916 -5.735 262 HD21 LEU 35 HD21 LEU 35 8.825 -1.677 -6.707 263 HD22 LEU 35 HD22 LEU 35 7.451 -0.754 -6.101 264 HD23 LEU 35 HD23 LEU 35 7.180 -2.214 -7.054 265 H VAL 36 HN VAL 36 7.200 0.631 -2.136 266 HA VAL 36 HA VAL 36 9.229 0.746 -0.145 267 HB VAL 36 HB VAL 36 7.099 2.794 -0.786 268 HG11 VAL 36 HG11 VAL 36 8.644 4.403 0.232 269 HG12 VAL 36 HG12 VAL 36 9.727 3.081 0.670 270 HG13 VAL 36 HG13 VAL 36 8.120 3.181 1.391 271 HG21 VAL 36 HG21 VAL 36 8.481 2.183 -2.728 272 HG22 VAL 36 HG22 VAL 36 9.931 2.575 -1.804 273 HG23 VAL 36 HG23 VAL 36 8.768 3.841 -2.202 274 H CYS 37 HN CYS 37 5.748 0.436 -0.051 275 HA CYS 37 HA CYS 37 5.452 0.978 2.737 276 HB2 CYS 37 HB2 CYS 37 3.600 1.289 1.170 277 HB3 CYS 37 HB1 CYS 37 3.616 -0.425 0.782 278 H ASN 38 HN ASN 38 6.207 -1.842 0.846 279 HA ASN 38 HA ASN 38 5.604 -3.709 2.956 280 HB2 ASN 38 HB2 ASN 38 7.073 -4.084 0.340 281 HB3 ASN 38 HB1 ASN 38 6.633 -5.385 1.440 282 HD21 ASN 38 HD21 ASN 38 4.062 -4.285 2.148 283 HD22 ASN 38 HD22 ASN 38 3.041 -4.483 0.771 284 H ARG 39 HN ARG 39 8.431 -1.972 1.825 285 HA ARG 39 HA ARG 39 10.154 -3.556 3.579 286 HB2 ARG 39 HB2 ARG 39 10.840 -1.351 1.631 287 HB3 ARG 39 HB1 ARG 39 12.007 -2.288 2.554 288 HG2 ARG 39 HG2 ARG 39 10.109 -3.379 0.486 289 HG3 ARG 39 HG1 ARG 39 11.837 -3.091 0.267 290 HD2 ARG 39 HD2 ARG 39 10.594 -5.010 2.235 291 HD3 ARG 39 HD1 ARG 39 11.374 -5.450 0.716 292 HE ARG 39 HE ARG 39 13.188 -3.966 2.245 293 HH11 ARG 39 HH11 ARG 39 11.579 -7.063 2.311 294 HH12 ARG 39 HH12 ARG 39 12.850 -7.845 3.189 295 HH21 ARG 39 HH21 ARG 39 14.861 -4.994 3.401 296 HH22 ARG 39 HH22 ARG 39 14.712 -6.671 3.808 297 H CYS 40 HN CYS 40 8.262 -0.811 3.811 298 HA CYS 40 HA CYS 40 9.989 0.753 5.484 299 HB2 CYS 40 HB2 CYS 40 8.461 2.164 4.548 300 HB3 CYS 40 HB1 CYS 40 7.206 0.938 4.482 301 HA PRO 41 HA PRO 41 9.778 -1.065 9.483 302 HB2 PRO 41 HB2 PRO 41 8.467 1.524 10.226 303 HB3 PRO 41 HB1 PRO 41 9.734 0.630 11.076 304 HG2 PRO 41 HG2 PRO 41 10.336 2.743 9.563 305 HG3 PRO 41 HG1 PRO 41 11.390 1.318 9.609 306 HD2 PRO 41 HD2 PRO 41 9.614 2.275 7.450 307 HD3 PRO 41 HD1 PRO 41 11.052 1.242 7.354 308 H VAL 42 HN VAL 42 8.366 -2.536 10.145 309 HA VAL 42 HA VAL 42 5.565 -2.328 9.501 310 HB VAL 42 HB VAL 42 6.724 -4.481 9.301 311 HG11 VAL 42 HG11 VAL 42 6.987 -4.321 12.301 312 HG12 VAL 42 HG12 VAL 42 8.304 -4.262 11.129 313 HG13 VAL 42 HG13 VAL 42 7.356 -5.737 11.316 314 HG21 VAL 42 HG21 VAL 42 5.062 -5.866 10.473 315 HG22 VAL 42 HG22 VAL 42 4.324 -4.490 9.652 316 HG23 VAL 42 HG23 VAL 42 4.558 -4.451 11.399 317 H THR 43 HN THR 43 3.918 -1.886 10.837 318 HA THR 43 HA THR 43 4.440 -1.575 13.708 319 HB THR 43 HB THR 43 3.075 0.464 13.762 320 HG1 THR 43 HG1 THR 43 1.899 0.027 11.796 321 HG21 THR 43 HG21 THR 43 4.664 1.984 12.717 322 HG22 THR 43 HG22 THR 43 5.376 0.638 11.829 323 HG23 THR 43 HG23 THR 43 5.487 0.693 13.588 324 H THR 44 HN THR 44 2.442 -1.341 14.977 325 HA THR 44 HA THR 44 0.651 -3.428 14.570 326 HB THR 44 HB THR 44 0.160 -0.898 16.164 327 HG1 THR 44 HG1 THR 44 1.329 -1.804 17.722 328 HG21 THR 44 HG21 THR 44 -1.362 -2.315 17.485 329 HG22 THR 44 HG22 THR 44 -1.084 -3.643 16.359 330 HG23 THR 44 HG23 THR 44 -1.883 -2.171 15.806 331 H GLU 45 HN GLU 45 0.714 -0.167 13.360 332 HA GLU 45 HA GLU 45 -1.997 0.160 12.678 333 HB2 GLU 45 HB2 GLU 45 -0.341 1.988 12.624 334 HB3 GLU 45 HB1 GLU 45 0.450 1.227 11.251 335 HG2 GLU 45 HG2 GLU 45 -0.953 3.066 10.536 336 HG3 GLU 45 HG1 GLU 45 -1.558 1.533 9.909 337 H CYS 46 HN CYS 46 0.707 -1.240 10.898 338 HA CYS 46 HA CYS 46 -0.769 -1.770 8.524 339 HB2 CYS 46 HB2 CYS 46 1.622 -3.423 9.152 340 HB3 CYS 46 HB1 CYS 46 1.179 -2.609 7.658 341 H LEU 47 HN LEU 47 0.186 -3.771 11.307 342 HA LEU 47 HA LEU 47 -0.925 -6.177 10.295 343 HB2 LEU 47 HB2 LEU 47 -0.295 -5.306 13.110 344 HB3 LEU 47 HB1 LEU 47 -0.878 -6.909 12.710 345 HG LEU 47 HG LEU 47 1.153 -7.112 11.184 346 HD11 LEU 47 HD11 LEU 47 1.935 -4.672 12.760 347 HD12 LEU 47 HD12 LEU 47 1.767 -4.803 11.009 348 HD13 LEU 47 HD13 LEU 47 3.060 -5.668 11.839 349 HD21 LEU 47 HD21 LEU 47 0.974 -8.276 13.313 350 HD22 LEU 47 HD22 LEU 47 1.557 -6.843 14.161 351 HD23 LEU 47 HD23 LEU 47 2.623 -7.708 13.052 352 H SER 48 HN SER 48 -2.144 -3.747 12.555 353 HA SER 48 HA SER 48 -4.605 -4.967 13.099 354 HB2 SER 48 HB2 SER 48 -3.891 -2.029 13.111 355 HB3 SER 48 HB1 SER 48 -5.343 -2.719 13.837 356 HG SER 48 HG SER 48 -4.171 -3.090 15.526 357 H TRP 49 HN TRP 49 -3.571 -2.904 10.497 358 HA TRP 49 HA TRP 49 -6.133 -2.326 9.438 359 HB2 TRP 49 HB2 TRP 49 -4.113 -1.020 8.866 360 HB3 TRP 49 HB1 TRP 49 -3.469 -2.413 8.003 361 HD1 TRP 49 HD1 TRP 49 -5.643 0.581 7.535 362 HE1 TRP 49 HE1 TRP 49 -6.663 0.570 5.172 363 HE3 TRP 49 HE3 TRP 49 -4.432 -4.188 6.147 364 HZ2 TRP 49 HZ2 TRP 49 -6.923 -1.223 3.007 365 HZ3 TRP 49 HZ3 TRP 49 -5.104 -4.974 3.915 366 HH2 TRP 49 HH2 TRP 49 -6.324 -3.521 2.379 367 H ALA 50 HN ALA 50 -3.738 -4.836 8.745 368 HA ALA 50 HA ALA 50 -5.099 -6.043 6.598 369 HB1 ALA 50 HB1 ALA 50 -2.736 -6.464 7.094 370 HB2 ALA 50 HB2 ALA 50 -3.655 -7.966 6.990 371 HB3 ALA 50 HB3 ALA 50 -3.198 -7.317 8.566 372 H LEU 51 HN LEU 51 -5.277 -6.515 10.085 373 HA LEU 51 HA LEU 51 -6.951 -8.805 9.988 374 HB2 LEU 51 HB2 LEU 51 -6.516 -6.793 12.190 375 HB3 LEU 51 HB1 LEU 51 -7.382 -8.305 12.381 376 HG LEU 51 HG LEU 51 -4.456 -8.015 11.697 377 HD11 LEU 51 HD11 LEU 51 -4.956 -7.452 14.013 378 HD12 LEU 51 HD12 LEU 51 -4.091 -8.986 13.910 379 HD13 LEU 51 HD13 LEU 51 -5.829 -8.973 14.204 380 HD21 LEU 51 HD21 LEU 51 -4.368 -10.447 11.942 381 HD22 LEU 51 HD22 LEU 51 -5.434 -9.969 10.620 382 HD23 LEU 51 HD23 LEU 51 -6.117 -10.489 12.161 383 H ASN 52 HN ASN 52 -7.521 -5.376 10.041 384 HA ASN 52 HA ASN 52 -10.319 -5.519 10.547 385 HB2 ASN 52 HB2 ASN 52 -8.708 -3.298 9.276 386 HB3 ASN 52 HB1 ASN 52 -10.354 -3.151 9.879 387 HD21 ASN 52 HD21 ASN 52 -9.941 -4.768 12.224 388 HD22 ASN 52 HD22 ASN 52 -8.970 -3.839 13.306 389 H THR 53 HN THR 53 -8.337 -5.691 7.716 390 HA THR 53 HA THR 53 -10.712 -5.652 5.986 391 HB THR 53 HB THR 53 -9.194 -5.326 4.115 392 HG1 THR 53 HG1 THR 53 -7.410 -6.526 5.395 393 HG21 THR 53 HG21 THR 53 -8.232 -3.138 4.778 394 HG22 THR 53 HG22 THR 53 -8.607 -3.523 6.458 395 HG23 THR 53 HG23 THR 53 -9.910 -3.338 5.284 396 H GLY 54 HN GLY 54 -8.836 -7.822 7.600 397 HA2 GLY 54 HA2 GLY 54 -8.636 -10.106 7.478 398 HA3 GLY 54 HA1 GLY 54 -9.917 -10.068 6.277 399 H GLN 55 HN GLN 55 -6.864 -8.379 5.905 400 HA GLN 55 HA GLN 55 -6.326 -9.997 3.534 401 HB2 GLN 55 HB2 GLN 55 -5.132 -7.403 4.519 402 HB3 GLN 55 HB1 GLN 55 -4.589 -8.242 3.073 403 HG2 GLN 55 HG2 GLN 55 -7.364 -7.174 3.540 404 HG3 GLN 55 HG1 GLN 55 -6.117 -6.412 2.554 405 HE21 GLN 55 HE21 GLN 55 -5.564 -7.323 0.574 406 HE22 GLN 55 HE22 GLN 55 -6.569 -8.483 -0.216 407 H ASP 56 HN ASP 56 -4.476 -11.185 3.231 408 HA ASP 56 HA ASP 56 -3.215 -12.216 5.561 409 HB2 ASP 56 HB2 ASP 56 -2.498 -12.577 2.643 410 HB3 ASP 56 HB1 ASP 56 -1.855 -13.534 3.975 411 H SER 57 HN SER 57 -1.206 -11.865 6.395 412 HA SER 57 HA SER 57 0.709 -10.191 5.025 413 HB2 SER 57 HB2 SER 57 -0.546 -9.266 7.620 414 HB3 SER 57 HB1 SER 57 0.842 -8.514 6.835 415 HG SER 57 HG SER 57 -1.852 -8.557 6.039 416 H GLY 58 HN GLY 58 2.668 -9.806 6.521 417 HA2 GLY 58 HA2 GLY 58 3.013 -11.837 8.572 418 HA3 GLY 58 HA1 GLY 58 3.984 -12.056 7.123 419 H VAL 59 HN VAL 59 5.608 -10.526 6.622 420 HA VAL 59 HA VAL 59 6.775 -9.316 8.975 421 HB VAL 59 HB VAL 59 7.807 -9.294 6.135 422 HG11 VAL 59 HG11 VAL 59 8.813 -7.582 7.541 423 HG12 VAL 59 HG12 VAL 59 9.979 -8.854 7.184 424 HG13 VAL 59 HG13 VAL 59 9.198 -8.792 8.764 425 HG21 VAL 59 HG21 VAL 59 8.408 -11.211 8.387 426 HG22 VAL 59 HG22 VAL 59 9.224 -11.175 6.824 427 HG23 VAL 59 HG23 VAL 59 7.510 -11.580 6.914 428 H TRP 60 HN TRP 60 5.121 -8.298 6.076 429 HA TRP 60 HA TRP 60 5.268 -5.518 7.031 430 HB2 TRP 60 HB2 TRP 60 5.295 -4.761 4.679 431 HB3 TRP 60 HB1 TRP 60 6.717 -5.718 5.082 432 HD1 TRP 60 HD1 TRP 60 3.445 -5.937 3.077 433 HE1 TRP 60 HE1 TRP 60 3.688 -7.812 1.330 434 HE3 TRP 60 HE3 TRP 60 7.961 -7.833 4.543 435 HZ2 TRP 60 HZ2 TRP 60 5.548 -9.827 0.662 436 HZ3 TRP 60 HZ3 TRP 60 8.903 -9.734 3.297 437 HH2 TRP 60 HH2 TRP 60 7.720 -10.710 1.398 438 H GLY 61 HN GLY 61 3.531 -4.202 5.620 439 HA2 GLY 61 HA2 GLY 61 1.185 -5.446 4.762 440 HA3 GLY 61 HA1 GLY 61 1.011 -5.142 6.483 441 H GLY 62 HN GLY 62 -0.785 -3.769 5.814 442 HA2 GLY 62 HA2 GLY 62 -1.580 -1.592 5.781 443 HA3 GLY 62 HA1 GLY 62 0.073 -1.026 5.602 444 H MET 63 HN MET 63 -1.575 -3.340 3.512 445 HA MET 63 HA MET 63 -1.442 -1.351 1.339 446 HB2 MET 63 HB2 MET 63 0.236 -3.058 0.997 447 HB3 MET 63 HB1 MET 63 -0.949 -4.329 1.246 448 HG2 MET 63 HG2 MET 63 -1.513 -2.422 -0.929 449 HG3 MET 63 HG1 MET 63 -0.139 -3.502 -1.161 450 HE1 MET 63 HE1 MET 63 -0.307 -6.086 -0.713 451 HE2 MET 63 HE2 MET 63 -1.796 -7.024 -0.827 452 HE3 MET 63 HE3 MET 63 -1.435 -6.118 0.642 453 H SER 64 HN SER 64 -3.227 -1.089 0.077 454 HA SER 64 HA SER 64 -5.687 -2.220 1.037 455 HB2 SER 64 HB2 SER 64 -6.762 -0.639 -0.492 456 HB3 SER 64 HB1 SER 64 -5.544 0.173 0.491 457 HG SER 64 HG SER 64 -4.207 0.284 -1.241 458 H GLU 65 HN GLU 65 -7.229 -3.223 -0.251 459 HA GLU 65 HA GLU 65 -6.328 -5.335 -1.838 460 HB2 GLU 65 HB2 GLU 65 -9.084 -4.084 -1.779 461 HB3 GLU 65 HB1 GLU 65 -8.698 -5.664 -2.446 462 HG2 GLU 65 HG2 GLU 65 -8.008 -6.433 -0.235 463 HG3 GLU 65 HG1 GLU 65 -8.391 -4.848 0.435 464 H ASP 66 HN ASP 66 -7.473 -2.121 -2.669 465 HA ASP 66 HA ASP 66 -7.649 -2.461 -5.451 466 HB2 ASP 66 HB2 ASP 66 -7.015 0.022 -3.841 467 HB3 ASP 66 HB1 ASP 66 -7.425 0.017 -5.554 468 H GLU 67 HN GLU 67 -5.015 -1.791 -3.293 469 HA GLU 67 HA GLU 67 -3.060 -1.088 -5.199 470 HB2 GLU 67 HB2 GLU 67 -2.883 -0.780 -2.701 471 HB3 GLU 67 HB1 GLU 67 -2.603 -2.509 -2.567 472 HG2 GLU 67 HG2 GLU 67 -0.868 -0.576 -4.083 473 HG3 GLU 67 HG1 GLU 67 -0.532 -1.211 -2.475 474 H ARG 68 HN ARG 68 -4.137 -4.166 -3.849 475 HA ARG 68 HA ARG 68 -2.183 -5.812 -5.016 476 HB2 ARG 68 HB2 ARG 68 -3.721 -6.566 -3.240 477 HB3 ARG 68 HB1 ARG 68 -5.065 -6.476 -4.370 478 HG2 ARG 68 HG2 ARG 68 -4.328 -8.765 -4.098 479 HG3 ARG 68 HG1 ARG 68 -4.023 -8.209 -5.745 480 HD2 ARG 68 HD2 ARG 68 -1.684 -7.812 -5.191 481 HD3 ARG 68 HD1 ARG 68 -1.980 -8.310 -3.527 482 HE ARG 68 HE ARG 68 -2.761 -10.380 -5.257 483 HH11 ARG 68 HH11 ARG 68 0.128 -8.780 -4.129 484 HH12 ARG 68 HH12 ARG 68 1.131 -10.176 -4.335 485 HH21 ARG 68 HH21 ARG 68 -1.444 -12.217 -5.527 486 HH22 ARG 68 HH22 ARG 68 0.240 -12.128 -5.128 487 H ARG 69 HN ARG 69 -5.357 -4.748 -6.173 488 HA ARG 69 HA ARG 69 -5.311 -6.183 -8.605 489 HB2 ARG 69 HB2 ARG 69 -6.762 -3.617 -7.921 490 HB3 ARG 69 HB1 ARG 69 -7.089 -4.625 -9.324 491 HG2 ARG 69 HG2 ARG 69 -7.633 -6.491 -7.746 492 HG3 ARG 69 HG1 ARG 69 -7.512 -5.323 -6.430 493 HD2 ARG 69 HD2 ARG 69 -9.412 -5.202 -8.769 494 HD3 ARG 69 HD1 ARG 69 -9.827 -5.601 -7.102 495 HE ARG 69 HE ARG 69 -8.623 -3.101 -7.067 496 HH11 ARG 69 HH11 ARG 69 -11.495 -4.574 -8.395 497 HH12 ARG 69 HH12 ARG 69 -12.422 -3.113 -8.339 498 HH21 ARG 69 HH21 ARG 69 -9.841 -1.178 -6.993 499 HH22 ARG 69 HH22 ARG 69 -11.483 -1.185 -7.544 500 H ALA 70 HN ALA 70 -4.167 -3.001 -7.660 501 HA ALA 70 HA ALA 70 -3.565 -1.947 -10.180 502 HB1 ALA 70 HB1 ALA 70 -2.026 -0.465 -8.977 503 HB2 ALA 70 HB2 ALA 70 -2.192 -1.480 -7.543 504 HB3 ALA 70 HB3 ALA 70 -3.587 -0.600 -8.166 505 H LEU 71 HN LEU 71 -1.771 -4.064 -8.054 506 HA LEU 71 HA LEU 71 0.668 -4.024 -9.522 507 HB2 LEU 71 HB2 LEU 71 0.535 -4.679 -7.150 508 HB3 LEU 71 HB1 LEU 71 -0.383 -6.102 -7.599 509 HG LEU 71 HG LEU 71 2.385 -5.637 -8.675 510 HD11 LEU 71 HD11 LEU 71 3.250 -7.010 -6.856 511 HD12 LEU 71 HD12 LEU 71 1.652 -7.041 -6.111 512 HD13 LEU 71 HD13 LEU 71 2.534 -5.519 -6.243 513 HD21 LEU 71 HD21 LEU 71 2.238 -8.221 -8.574 514 HD22 LEU 71 HD22 LEU 71 1.392 -7.364 -9.860 515 HD23 LEU 71 HD23 LEU 71 0.499 -7.951 -8.457 516 H LYS 72 HN LYS 72 -2.132 -6.196 -9.443 517 HA LYS 72 HA LYS 72 -1.125 -8.116 -11.232 518 HB2 LYS 72 HB2 LYS 72 -3.984 -7.327 -10.655 519 HB3 LYS 72 HB1 LYS 72 -3.505 -8.764 -11.549 520 HG2 LYS 72 HG2 LYS 72 -2.825 -8.168 -8.676 521 HG3 LYS 72 HG1 LYS 72 -4.062 -9.294 -9.241 522 HD2 LYS 72 HD2 LYS 72 -2.332 -10.628 -10.353 523 HD3 LYS 72 HD1 LYS 72 -1.099 -9.504 -9.778 524 HE2 LYS 72 HE2 LYS 72 -1.681 -10.051 -7.466 525 HE3 LYS 72 HE1 LYS 72 -2.918 -11.169 -8.040 526 HZ1 LYS 72 HZ1 LYS 72 -0.893 -12.333 -7.441 527 HZ2 LYS 72 HZ2 LYS 72 0.000 -11.410 -8.540 528 HZ3 LYS 72 HZ3 LYS 72 -1.184 -12.479 -9.103 529 H ARG 73 HN ARG 73 -2.745 -5.078 -11.709 530 HA ARG 73 HA ARG 73 -3.242 -5.412 -14.494 531 HB2 ARG 73 HB2 ARG 73 -3.127 -2.957 -12.740 532 HB3 ARG 73 HB1 ARG 73 -3.549 -2.904 -14.445 533 HG2 ARG 73 HG2 ARG 73 -5.470 -4.338 -14.031 534 HG3 ARG 73 HG1 ARG 73 -5.038 -4.437 -12.323 535 HD2 ARG 73 HD2 ARG 73 -5.344 -2.026 -12.100 536 HD3 ARG 73 HD1 ARG 73 -5.750 -1.911 -13.810 537 HE ARG 73 HE ARG 73 -7.431 -2.927 -11.673 538 HH11 ARG 73 HH11 ARG 73 -6.944 -2.608 -15.118 539 HH12 ARG 73 HH12 ARG 73 -8.613 -2.858 -15.501 540 HH21 ARG 73 HH21 ARG 73 -9.625 -3.258 -12.181 541 HH22 ARG 73 HH22 ARG 73 -10.134 -3.228 -13.836 542 H ARG 74 HN ARG 74 -0.595 -4.156 -12.577 543 HA ARG 74 HA ARG 74 0.840 -2.905 -14.664 544 HB2 ARG 74 HB2 ARG 74 1.137 -2.845 -12.043 545 HB3 ARG 74 HB1 ARG 74 2.241 -4.177 -12.346 546 HG2 ARG 74 HG2 ARG 74 2.431 -1.405 -13.505 547 HG3 ARG 74 HG1 ARG 74 3.447 -2.087 -12.234 548 HD2 ARG 74 HD2 ARG 74 3.294 -2.946 -15.117 549 HD3 ARG 74 HD1 ARG 74 4.653 -2.180 -14.300 550 HE ARG 74 HE ARG 74 4.108 -4.531 -12.933 551 HH11 ARG 74 HH11 ARG 74 5.143 -3.582 -16.127 552 HH12 ARG 74 HH12 ARG 74 6.047 -5.032 -16.402 553 HH21 ARG 74 HH21 ARG 74 5.297 -6.440 -13.292 554 HH22 ARG 74 HH22 ARG 74 6.134 -6.656 -14.793 555 H ASN 75 HN ASN 75 0.942 -6.171 -13.301 556 HA ASN 75 HA ASN 75 3.074 -7.067 -14.969 557 HB2 ASN 75 HB2 ASN 75 1.017 -8.598 -13.364 558 HB3 ASN 75 HB1 ASN 75 2.391 -9.339 -14.179 559 HD21 ASN 75 HD21 ASN 75 3.261 -10.101 -12.266 560 HD22 ASN 75 HD22 ASN 75 4.013 -9.059 -11.112 561 H ALA 76 HN ALA 76 -0.429 -7.091 -15.199 562 HA ALA 76 HA ALA 76 -0.349 -8.657 -17.657 563 HB1 ALA 76 HB1 ALA 76 -2.084 -9.153 -16.003 564 HB2 ALA 76 HB2 ALA 76 -2.781 -8.624 -17.535 565 HB3 ALA 76 HB3 ALA 76 -2.709 -7.511 -16.168 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 11.266 6.325 15.652 2 H2 MET 1 HT2 MET 1 9.750 5.930 16.285 3 H3 MET 1 HT3 MET 1 9.869 7.024 15.001 4 HA MET 1 HA MET 1 10.747 5.281 13.574 5 HB2 MET 1 HB2 MET 1 10.106 3.500 15.934 6 HB3 MET 1 HB1 MET 1 10.616 2.949 14.344 7 HG2 MET 1 HG2 MET 1 12.757 4.086 14.635 8 HG3 MET 1 HG1 MET 1 12.245 4.638 16.229 9 HE1 MET 1 HE1 MET 1 11.910 1.234 18.162 10 HE2 MET 1 HE2 MET 1 10.641 2.060 17.258 11 HE3 MET 1 HE3 MET 1 11.751 2.987 18.269 12 H ASP 2 HN ASP 2 8.074 5.040 15.895 13 HA ASP 2 HA ASP 2 6.248 3.719 14.242 14 HB2 ASP 2 HB2 ASP 2 4.512 4.623 15.743 15 HB3 ASP 2 HB1 ASP 2 5.880 3.974 16.642 16 H TRP 3 HN TRP 3 6.788 7.195 14.738 17 HA TRP 3 HA TRP 3 4.741 8.068 13.006 18 HB2 TRP 3 HB2 TRP 3 6.104 10.221 12.959 19 HB3 TRP 3 HB1 TRP 3 5.587 9.656 14.545 20 HD1 TRP 3 HD1 TRP 3 7.472 8.778 16.213 21 HE1 TRP 3 HE1 TRP 3 10.022 9.082 16.248 22 HE3 TRP 3 HE3 TRP 3 8.155 10.442 11.427 23 HZ2 TRP 3 HZ2 TRP 3 12.061 9.924 14.483 24 HZ3 TRP 3 HZ3 TRP 3 10.437 10.977 10.681 25 HH2 TRP 3 HH2 TRP 3 12.350 10.723 12.178 26 H ARG 4 HN ARG 4 8.099 7.188 12.467 27 HA ARG 4 HA ARG 4 8.267 8.173 9.807 28 HB2 ARG 4 HB2 ARG 4 10.260 7.716 11.161 29 HB3 ARG 4 HB1 ARG 4 9.868 6.002 11.176 30 HG2 ARG 4 HG2 ARG 4 11.618 6.470 9.570 31 HG3 ARG 4 HG1 ARG 4 10.158 5.915 8.750 32 HD2 ARG 4 HD2 ARG 4 9.579 8.238 8.225 33 HD3 ARG 4 HD1 ARG 4 11.045 8.783 9.038 34 HE ARG 4 HE ARG 4 11.784 6.940 7.079 35 HH11 ARG 4 HH11 ARG 4 10.375 10.125 7.290 36 HH12 ARG 4 HH12 ARG 4 11.005 10.641 5.761 37 HH21 ARG 4 HH21 ARG 4 12.613 7.616 5.068 38 HH22 ARG 4 HH22 ARG 4 12.275 9.217 4.499 39 H HIS 5 HN HIS 5 7.352 5.074 11.212 40 HA HIS 5 HA HIS 5 7.227 3.620 8.789 41 HB2 HIS 5 HB2 HIS 5 5.713 3.189 11.372 42 HB3 HIS 5 HB1 HIS 5 5.907 2.000 10.087 43 HD1 HIS 5 HD1 HIS 5 7.070 2.246 13.244 44 HD2 HIS 5 HD2 HIS 5 9.110 2.170 9.627 45 HE1 HIS 5 HE1 HIS 5 9.397 1.482 13.802 46 HE2 HIS 5 HE2 HIS 5 10.640 1.535 11.613 47 H LYS 6 HN LYS 6 4.944 5.662 10.514 48 HA LYS 6 HA LYS 6 2.869 5.044 8.563 49 HB2 LYS 6 HB2 LYS 6 2.834 6.909 10.952 50 HB3 LYS 6 HB1 LYS 6 1.449 6.538 9.934 51 HG2 LYS 6 HG2 LYS 6 1.464 4.248 10.647 52 HG3 LYS 6 HG1 LYS 6 2.965 4.494 11.541 53 HD2 LYS 6 HD2 LYS 6 1.020 4.485 13.030 54 HD3 LYS 6 HD1 LYS 6 1.836 6.048 13.040 55 HE2 LYS 6 HE2 LYS 6 -0.385 5.673 11.110 56 HE3 LYS 6 HE1 LYS 6 -0.808 5.807 12.816 57 HZ1 LYS 6 HZ1 LYS 6 0.391 7.908 12.905 58 HZ2 LYS 6 HZ2 LYS 6 -0.832 7.962 11.740 59 HZ3 LYS 6 HZ3 LYS 6 0.780 7.782 11.264 60 H ALA 7 HN ALA 7 5.505 6.975 8.883 61 HA ALA 7 HA ALA 7 4.610 9.382 7.673 62 HB1 ALA 7 HB1 ALA 7 6.931 9.926 7.390 63 HB2 ALA 7 HB2 ALA 7 7.408 8.244 7.605 64 HB3 ALA 7 HB3 ALA 7 6.755 9.156 8.965 65 H VAL 8 HN VAL 8 6.151 6.400 6.583 66 HA VAL 8 HA VAL 8 6.024 7.108 3.825 67 HB VAL 8 HB VAL 8 6.228 4.276 4.835 68 HG11 VAL 8 HG11 VAL 8 7.505 3.929 2.812 69 HG12 VAL 8 HG12 VAL 8 7.447 5.652 2.440 70 HG13 VAL 8 HG13 VAL 8 5.968 4.693 2.405 71 HG21 VAL 8 HG21 VAL 8 7.840 5.513 6.137 72 HG22 VAL 8 HG22 VAL 8 8.425 6.344 4.696 73 HG23 VAL 8 HG23 VAL 8 8.694 4.611 4.885 74 H CYS 9 HN CYS 9 3.873 5.782 6.182 75 HA CYS 9 HA CYS 9 1.997 4.432 4.648 76 HB2 CYS 9 HB2 CYS 9 2.052 5.682 7.224 77 HB3 CYS 9 HB1 CYS 9 0.554 6.121 6.435 78 H ARG 10 HN ARG 10 1.574 7.779 5.712 79 HA ARG 10 HA ARG 10 -0.265 8.415 3.643 80 HB2 ARG 10 HB2 ARG 10 -0.151 10.706 4.533 81 HB3 ARG 10 HB1 ARG 10 -0.395 9.510 5.798 82 HG2 ARG 10 HG2 ARG 10 1.982 9.627 6.364 83 HG3 ARG 10 HG1 ARG 10 2.216 10.838 5.102 84 HD2 ARG 10 HD2 ARG 10 2.011 11.887 7.292 85 HD3 ARG 10 HD1 ARG 10 0.663 12.336 6.247 86 HE ARG 10 HE ARG 10 -0.084 10.103 7.765 87 HH11 ARG 10 HH11 ARG 10 0.644 13.489 8.196 88 HH12 ARG 10 HH12 ARG 10 -0.384 13.663 9.579 89 HH21 ARG 10 HH21 ARG 10 -1.437 10.329 9.584 90 HH22 ARG 10 HH22 ARG 10 -1.564 11.869 10.368 91 H ASP 11 HN ASP 11 3.163 8.566 3.836 92 HA ASP 11 HA ASP 11 3.456 10.533 1.739 93 HB2 ASP 11 HB2 ASP 11 5.444 8.876 3.277 94 HB3 ASP 11 HB1 ASP 11 5.916 9.896 1.925 95 H GLU 12 HN GLU 12 2.269 7.633 1.419 96 HA GLU 12 HA GLU 12 4.051 6.481 -0.515 97 HB2 GLU 12 HB2 GLU 12 2.399 4.712 -0.651 98 HB3 GLU 12 HB1 GLU 12 2.667 5.121 1.033 99 HG2 GLU 12 HG2 GLU 12 0.615 6.493 0.991 100 HG3 GLU 12 HG1 GLU 12 0.328 5.964 -0.663 101 H ASP 13 HN ASP 13 1.551 5.629 -2.095 102 HA ASP 13 HA ASP 13 1.529 8.001 -3.821 103 HB2 ASP 13 HB2 ASP 13 2.541 5.916 -4.800 104 HB3 ASP 13 HB1 ASP 13 0.963 5.144 -4.696 105 HA PRO 14 HA PRO 14 -2.734 8.565 -2.674 106 HB2 PRO 14 HB2 PRO 14 -3.417 9.889 -5.049 107 HB3 PRO 14 HB1 PRO 14 -2.852 10.654 -3.562 108 HG2 PRO 14 HG2 PRO 14 -1.339 9.957 -6.030 109 HG3 PRO 14 HG1 PRO 14 -1.143 11.343 -4.944 110 HD2 PRO 14 HD2 PRO 14 0.569 9.283 -4.904 111 HD3 PRO 14 HD1 PRO 14 0.100 10.122 -3.410 112 H GLU 15 HN GLU 15 -1.580 7.162 -5.646 113 HA GLU 15 HA GLU 15 -4.081 6.167 -6.555 114 HB2 GLU 15 HB2 GLU 15 -1.266 5.218 -7.198 115 HB3 GLU 15 HB1 GLU 15 -2.726 4.776 -8.076 116 HG2 GLU 15 HG2 GLU 15 -1.604 7.556 -7.833 117 HG3 GLU 15 HG1 GLU 15 -1.475 6.502 -9.240 118 H LEU 16 HN LEU 16 -1.889 5.195 -4.106 119 HA LEU 16 HA LEU 16 -2.625 2.436 -4.009 120 HB2 LEU 16 HB2 LEU 16 -1.392 4.146 -1.835 121 HB3 LEU 16 HB1 LEU 16 -1.442 2.394 -1.860 122 HG LEU 16 HG LEU 16 0.384 4.239 -3.240 123 HD11 LEU 16 HD11 LEU 16 1.295 2.706 -1.627 124 HD12 LEU 16 HD12 LEU 16 1.859 2.236 -3.246 125 HD13 LEU 16 HD13 LEU 16 0.553 1.337 -2.457 126 HD21 LEU 16 HD21 LEU 16 -0.917 1.958 -4.648 127 HD22 LEU 16 HD22 LEU 16 0.694 2.534 -5.066 128 HD23 LEU 16 HD23 LEU 16 -0.694 3.614 -5.206 129 H PHE 17 HN PHE 17 -4.210 5.271 -3.182 130 HA PHE 17 HA PHE 17 -5.955 3.909 -1.259 131 HB2 PHE 17 HB2 PHE 17 -5.720 6.853 -1.920 132 HB3 PHE 17 HB1 PHE 17 -6.793 6.163 -0.709 133 HD1 PHE 17 HD1 PHE 17 -5.934 5.346 1.395 134 HD2 PHE 17 HD2 PHE 17 -3.335 6.997 -1.541 135 HE1 PHE 17 HE1 PHE 17 -4.151 5.529 3.082 136 HE2 PHE 17 HE2 PHE 17 -1.548 7.183 0.138 137 HZ PHE 17 HZ PHE 17 -1.955 6.447 2.453 138 H PHE 18 HN PHE 18 -5.740 4.660 -4.523 139 HA PHE 18 HA PHE 18 -8.660 4.404 -4.811 140 HB2 PHE 18 HB2 PHE 18 -6.829 6.235 -6.368 141 HB3 PHE 18 HB1 PHE 18 -8.485 5.875 -6.841 142 HD1 PHE 18 HD1 PHE 18 -10.183 7.249 -6.111 143 HD2 PHE 18 HD2 PHE 18 -6.527 7.141 -3.936 144 HE1 PHE 18 HE1 PHE 18 -10.993 9.068 -4.667 145 HE2 PHE 18 HE2 PHE 18 -7.329 8.960 -2.488 146 HZ PHE 18 HZ PHE 18 -9.565 9.926 -2.852 147 HA PRO 19 HA PRO 19 -7.583 1.034 -7.473 148 HB2 PRO 19 HB2 PRO 19 -10.166 1.202 -8.780 149 HB3 PRO 19 HB1 PRO 19 -9.588 0.006 -7.621 150 HG2 PRO 19 HG2 PRO 19 -11.537 1.836 -7.066 151 HG3 PRO 19 HG1 PRO 19 -10.484 1.115 -5.839 152 HD2 PRO 19 HD2 PRO 19 -10.328 3.805 -7.132 153 HD3 PRO 19 HD1 PRO 19 -10.007 3.339 -5.448 154 H VAL 20 HN VAL 20 -6.537 0.883 -9.377 155 HA VAL 20 HA VAL 20 -6.646 3.063 -11.252 156 HB VAL 20 HB VAL 20 -5.113 0.473 -11.471 157 HG11 VAL 20 HG11 VAL 20 -3.653 1.790 -12.965 158 HG12 VAL 20 HG12 VAL 20 -4.781 3.139 -12.841 159 HG13 VAL 20 HG13 VAL 20 -5.294 1.625 -13.587 160 HG21 VAL 20 HG21 VAL 20 -4.490 1.547 -9.423 161 HG22 VAL 20 HG22 VAL 20 -4.337 3.106 -10.234 162 HG23 VAL 20 HG23 VAL 20 -3.205 1.805 -10.602 163 H GLY 21 HN GLY 21 -7.065 2.825 -13.501 164 HA2 GLY 21 HA2 GLY 21 -8.030 0.568 -14.789 165 HA3 GLY 21 HA1 GLY 21 -9.424 1.350 -14.059 166 H ASN 22 HN ASN 22 -8.102 4.022 -14.411 167 HA ASN 22 HA ASN 22 -8.896 4.370 -17.201 168 HB2 ASN 22 HB2 ASN 22 -8.507 6.412 -15.004 169 HB3 ASN 22 HB1 ASN 22 -9.068 6.767 -16.635 170 HD21 ASN 22 HD21 ASN 22 -9.864 5.347 -13.572 171 HD22 ASN 22 HD22 ASN 22 -11.563 5.207 -13.848 172 H SER 23 HN SER 23 -6.050 4.244 -15.292 173 HA SER 23 HA SER 23 -4.539 5.247 -17.591 174 HB2 SER 23 HB2 SER 23 -3.047 6.544 -16.113 175 HB3 SER 23 HB1 SER 23 -4.706 7.147 -16.062 176 HG SER 23 HG SER 23 -3.643 6.888 -13.981 177 H GLY 24 HN GLY 24 -2.381 4.570 -17.711 178 HA2 GLY 24 HA2 GLY 24 -1.872 2.011 -16.427 179 HA3 GLY 24 HA1 GLY 24 -0.944 2.719 -17.744 180 HA PRO 25 HA PRO 25 1.978 4.887 -15.159 181 HB2 PRO 25 HB2 PRO 25 0.226 7.275 -14.758 182 HB3 PRO 25 HB1 PRO 25 1.932 7.202 -15.216 183 HG2 PRO 25 HG2 PRO 25 0.077 7.714 -17.044 184 HG3 PRO 25 HG1 PRO 25 1.452 6.658 -17.423 185 HD2 PRO 25 HD2 PRO 25 -1.386 5.946 -16.860 186 HD3 PRO 25 HD1 PRO 25 -0.231 5.184 -17.971 187 H ALA 26 HN ALA 26 -1.335 4.873 -14.095 188 HA ALA 26 HA ALA 26 -0.927 5.525 -11.389 189 HB1 ALA 26 HB1 ALA 26 -3.122 4.804 -12.904 190 HB2 ALA 26 HB2 ALA 26 -3.110 5.121 -11.168 191 HB3 ALA 26 HB3 ALA 26 -2.952 3.466 -11.760 192 H LEU 27 HN LEU 27 -0.518 2.565 -13.163 193 HA LEU 27 HA LEU 27 -0.173 0.867 -10.905 194 HB2 LEU 27 HB2 LEU 27 0.764 0.590 -13.754 195 HB3 LEU 27 HB1 LEU 27 0.858 -0.682 -12.554 196 HG LEU 27 HG LEU 27 -1.046 -1.264 -13.735 197 HD11 LEU 27 HD11 LEU 27 -2.975 -0.761 -12.311 198 HD12 LEU 27 HD12 LEU 27 -2.047 0.510 -11.516 199 HD13 LEU 27 HD13 LEU 27 -1.546 -1.172 -11.363 200 HD21 LEU 27 HD21 LEU 27 -1.101 0.777 -15.112 201 HD22 LEU 27 HD22 LEU 27 -1.887 1.630 -13.784 202 HD23 LEU 27 HD23 LEU 27 -2.705 0.283 -14.571 203 H ALA 28 HN ALA 28 2.000 2.662 -13.010 204 HA ALA 28 HA ALA 28 4.378 1.733 -11.751 205 HB1 ALA 28 HB1 ALA 28 3.940 4.229 -13.391 206 HB2 ALA 28 HB2 ALA 28 4.401 2.649 -14.025 207 HB3 ALA 28 HB3 ALA 28 5.503 3.533 -12.969 208 H GLN 29 HN GLN 29 2.166 4.353 -11.266 209 HA GLN 29 HA GLN 29 3.765 5.835 -9.402 210 HB2 GLN 29 HB2 GLN 29 1.041 5.948 -10.510 211 HB3 GLN 29 HB1 GLN 29 1.112 6.423 -8.818 212 HG2 GLN 29 HG2 GLN 29 1.329 8.309 -10.408 213 HG3 GLN 29 HG1 GLN 29 2.678 8.159 -9.284 214 HE21 GLN 29 HE21 GLN 29 4.062 9.300 -10.624 215 HE22 GLN 29 HE22 GLN 29 4.699 8.631 -12.084 216 H ILE 30 HN ILE 30 1.017 3.659 -9.124 217 HA ILE 30 HA ILE 30 0.951 3.419 -6.387 218 HB ILE 30 HB ILE 30 0.100 1.569 -8.591 219 HG12 ILE 30 HG12 ILE 30 -1.431 3.325 -6.669 220 HG13 ILE 30 HG11 ILE 30 -1.193 3.606 -8.383 221 HG21 ILE 30 HG21 ILE 30 -1.263 0.704 -6.388 222 HG22 ILE 30 HG22 ILE 30 0.359 1.002 -5.760 223 HG23 ILE 30 HG23 ILE 30 0.127 -0.088 -7.131 224 HD11 ILE 30 HD11 ILE 30 -2.814 1.442 -7.090 225 HD12 ILE 30 HD12 ILE 30 -2.439 1.494 -8.812 226 HD13 ILE 30 HD13 ILE 30 -3.390 2.785 -8.077 227 H ALA 31 HN ALA 31 2.671 1.542 -8.774 228 HA ALA 31 HA ALA 31 3.645 -0.481 -7.103 229 HB1 ALA 31 HB1 ALA 31 3.694 -0.642 -9.538 230 HB2 ALA 31 HB2 ALA 31 5.301 -0.888 -8.858 231 HB3 ALA 31 HB3 ALA 31 4.889 0.653 -9.609 232 H ASP 32 HN ASP 32 4.605 2.798 -7.552 233 HA ASP 32 HA ASP 32 7.286 2.456 -6.585 234 HB2 ASP 32 HB2 ASP 32 5.619 4.937 -7.045 235 HB3 ASP 32 HB1 ASP 32 7.296 4.967 -6.507 236 H ALA 33 HN ALA 33 4.231 3.645 -5.357 237 HA ALA 33 HA ALA 33 5.254 4.231 -2.766 238 HB1 ALA 33 HB1 ALA 33 2.713 4.049 -2.219 239 HB2 ALA 33 HB2 ALA 33 2.544 4.016 -3.974 240 HB3 ALA 33 HB3 ALA 33 3.331 5.381 -3.185 241 H LYS 34 HN LYS 34 3.797 1.446 -4.304 242 HA LYS 34 HA LYS 34 3.363 -0.103 -2.001 243 HB2 LYS 34 HB2 LYS 34 2.274 -0.792 -3.985 244 HB3 LYS 34 HB1 LYS 34 3.775 -0.810 -4.899 245 HG2 LYS 34 HG2 LYS 34 4.403 -2.851 -4.101 246 HG3 LYS 34 HG1 LYS 34 3.536 -2.647 -2.579 247 HD2 LYS 34 HD2 LYS 34 1.422 -3.029 -3.686 248 HD3 LYS 34 HD1 LYS 34 2.223 -3.095 -5.258 249 HE2 LYS 34 HE2 LYS 34 3.135 -5.167 -4.858 250 HE3 LYS 34 HE1 LYS 34 3.104 -4.961 -3.108 251 HZ1 LYS 34 HZ1 LYS 34 0.740 -5.286 -3.109 252 HZ2 LYS 34 HZ2 LYS 34 1.462 -6.580 -3.924 253 HZ3 LYS 34 HZ3 LYS 34 0.694 -5.353 -4.798 254 H LEU 35 HN LEU 35 6.202 0.224 -4.128 255 HA LEU 35 HA LEU 35 7.671 -1.867 -2.867 256 HB2 LEU 35 HB2 LEU 35 8.515 0.469 -4.570 257 HB3 LEU 35 HB1 LEU 35 9.649 -0.719 -3.964 258 HG LEU 35 HG LEU 35 9.141 -2.188 -5.576 259 HD11 LEU 35 HD11 LEU 35 6.849 -2.760 -6.280 260 HD12 LEU 35 HD12 LEU 35 6.229 -1.483 -5.237 261 HD13 LEU 35 HD13 LEU 35 7.067 -2.862 -4.533 262 HD21 LEU 35 HD21 LEU 35 9.392 -0.561 -7.145 263 HD22 LEU 35 HD22 LEU 35 8.038 0.390 -6.537 264 HD23 LEU 35 HD23 LEU 35 7.737 -1.053 -7.508 265 H VAL 36 HN VAL 36 7.622 1.650 -2.485 266 HA VAL 36 HA VAL 36 9.624 1.723 -0.461 267 HB VAL 36 HB VAL 36 7.457 3.757 -1.021 268 HG11 VAL 36 HG11 VAL 36 10.106 4.061 0.390 269 HG12 VAL 36 HG12 VAL 36 8.527 4.027 1.170 270 HG13 VAL 36 HG13 VAL 36 8.939 5.345 0.075 271 HG21 VAL 36 HG21 VAL 36 9.065 4.881 -2.425 272 HG22 VAL 36 HG22 VAL 36 8.860 3.223 -2.990 273 HG23 VAL 36 HG23 VAL 36 10.288 3.665 -2.056 274 H CYS 37 HN CYS 37 6.160 1.340 -0.455 275 HA CYS 37 HA CYS 37 5.798 1.694 2.361 276 HB2 CYS 37 HB2 CYS 37 3.928 2.200 1.023 277 HB3 CYS 37 HB1 CYS 37 4.087 0.723 0.085 278 H ASN 38 HN ASN 38 6.714 -0.931 0.311 279 HA ASN 38 HA ASN 38 5.961 -3.003 2.163 280 HB2 ASN 38 HB2 ASN 38 7.531 -3.004 -0.408 281 HB3 ASN 38 HB1 ASN 38 7.332 -4.452 0.571 282 HD21 ASN 38 HD21 ASN 38 4.669 -3.958 1.415 283 HD22 ASN 38 HD22 ASN 38 3.643 -4.144 0.041 284 H ARG 39 HN ARG 39 8.850 -1.132 1.493 285 HA ARG 39 HA ARG 39 10.513 -2.920 3.062 286 HB2 ARG 39 HB2 ARG 39 11.187 -0.227 1.872 287 HB3 ARG 39 HB1 ARG 39 12.331 -1.384 2.536 288 HG2 ARG 39 HG2 ARG 39 10.578 -1.896 0.143 289 HG3 ARG 39 HG1 ARG 39 12.258 -1.364 0.067 290 HD2 ARG 39 HD2 ARG 39 12.285 -3.711 -0.237 291 HD3 ARG 39 HD1 ARG 39 12.845 -3.416 1.409 292 HE ARG 39 HE ARG 39 10.047 -3.865 1.364 293 HH11 ARG 39 HH11 ARG 39 13.105 -5.529 1.111 294 HH12 ARG 39 HH12 ARG 39 12.479 -7.032 1.703 295 HH21 ARG 39 HH21 ARG 39 9.222 -5.841 2.143 296 HH22 ARG 39 HH22 ARG 39 10.274 -7.209 2.287 297 H CYS 40 HN CYS 40 8.371 -0.455 3.794 298 HA CYS 40 HA CYS 40 9.838 0.725 5.956 299 HB2 CYS 40 HB2 CYS 40 8.284 2.262 5.392 300 HB3 CYS 40 HB1 CYS 40 7.202 1.058 4.710 301 HA PRO 41 HA PRO 41 9.405 -2.622 8.864 302 HB2 PRO 41 HB2 PRO 41 9.397 -0.361 10.804 303 HB3 PRO 41 HB1 PRO 41 10.365 -1.837 10.804 304 HG2 PRO 41 HG2 PRO 41 11.429 0.498 10.075 305 HG3 PRO 41 HG1 PRO 41 11.872 -1.011 9.255 306 HD2 PRO 41 HD2 PRO 41 10.126 1.210 8.322 307 HD3 PRO 41 HD1 PRO 41 11.179 0.132 7.389 308 H VAL 42 HN VAL 42 7.566 -3.614 9.326 309 HA VAL 42 HA VAL 42 5.038 -2.462 9.269 310 HB VAL 42 HB VAL 42 4.217 -4.540 10.302 311 HG11 VAL 42 HG11 VAL 42 5.035 -6.084 8.589 312 HG12 VAL 42 HG12 VAL 42 6.358 -4.977 8.224 313 HG13 VAL 42 HG13 VAL 42 4.691 -4.491 7.912 314 HG21 VAL 42 HG21 VAL 42 5.984 -4.873 11.945 315 HG22 VAL 42 HG22 VAL 42 7.142 -5.194 10.654 316 HG23 VAL 42 HG23 VAL 42 5.800 -6.304 10.931 317 H THR 43 HN THR 43 3.599 -1.799 10.799 318 HA THR 43 HA THR 43 4.530 -1.543 13.578 319 HB THR 43 HB THR 43 3.542 0.695 13.721 320 HG1 THR 43 HG1 THR 43 3.199 0.440 10.902 321 HG21 THR 43 HG21 THR 43 5.250 1.897 12.617 322 HG22 THR 43 HG22 THR 43 5.485 0.614 11.433 323 HG23 THR 43 HG23 THR 43 5.947 0.358 13.116 324 H THR 44 HN THR 44 2.683 -0.821 15.020 325 HA THR 44 HA THR 44 0.603 -2.661 14.954 326 HB THR 44 HB THR 44 0.542 0.076 16.259 327 HG1 THR 44 HG1 THR 44 1.818 -0.753 17.734 328 HG21 THR 44 HG21 THR 44 -1.008 -2.446 16.871 329 HG22 THR 44 HG22 THR 44 -1.662 -0.978 16.144 330 HG23 THR 44 HG23 THR 44 -1.067 -0.949 17.804 331 H GLU 45 HN GLU 45 1.020 0.416 13.379 332 HA GLU 45 HA GLU 45 -1.684 0.961 12.729 333 HB2 GLU 45 HB2 GLU 45 0.350 2.507 12.491 334 HB3 GLU 45 HB1 GLU 45 0.699 1.644 11.001 335 HG2 GLU 45 HG2 GLU 45 -1.840 3.151 11.589 336 HG3 GLU 45 HG1 GLU 45 -0.496 3.745 10.615 337 H CYS 46 HN CYS 46 0.860 -0.909 11.199 338 HA CYS 46 HA CYS 46 -0.552 -1.550 8.825 339 HB2 CYS 46 HB2 CYS 46 2.031 -1.854 9.788 340 HB3 CYS 46 HB1 CYS 46 1.448 -3.507 9.646 341 H LEU 47 HN LEU 47 -0.018 -3.292 11.878 342 HA LEU 47 HA LEU 47 -1.436 -5.627 11.101 343 HB2 LEU 47 HB2 LEU 47 -0.730 -4.547 13.827 344 HB3 LEU 47 HB1 LEU 47 -1.483 -6.107 13.565 345 HG LEU 47 HG LEU 47 0.825 -6.517 13.889 346 HD11 LEU 47 HD11 LEU 47 1.512 -7.516 11.786 347 HD12 LEU 47 HD12 LEU 47 0.307 -6.563 10.921 348 HD13 LEU 47 HD13 LEU 47 -0.207 -7.795 12.073 349 HD21 LEU 47 HD21 LEU 47 2.593 -5.390 12.751 350 HD22 LEU 47 HD22 LEU 47 1.526 -4.166 13.441 351 HD23 LEU 47 HD23 LEU 47 1.451 -4.530 11.717 352 H SER 48 HN SER 48 -2.317 -2.712 12.871 353 HA SER 48 HA SER 48 -4.896 -3.495 13.635 354 HB2 SER 48 HB2 SER 48 -3.794 -1.531 14.596 355 HB3 SER 48 HB1 SER 48 -3.860 -0.718 13.033 356 HG SER 48 HG SER 48 -6.059 -1.510 14.644 357 H TRP 49 HN TRP 49 -3.688 -2.038 10.703 358 HA TRP 49 HA TRP 49 -6.219 -1.518 9.528 359 HB2 TRP 49 HB2 TRP 49 -4.125 -0.414 8.789 360 HB3 TRP 49 HB1 TRP 49 -3.555 -1.956 8.158 361 HD1 TRP 49 HD1 TRP 49 -5.645 1.018 7.250 362 HE1 TRP 49 HE1 TRP 49 -6.632 0.703 4.895 363 HE3 TRP 49 HE3 TRP 49 -4.504 -3.916 6.545 364 HZ2 TRP 49 HZ2 TRP 49 -6.895 -1.364 2.990 365 HZ3 TRP 49 HZ3 TRP 49 -5.161 -4.987 4.429 366 HH2 TRP 49 HH2 TRP 49 -6.331 -3.736 2.689 367 H ALA 50 HN ALA 50 -3.947 -4.212 9.357 368 HA ALA 50 HA ALA 50 -5.300 -5.717 7.402 369 HB1 ALA 50 HB1 ALA 50 -3.966 -7.594 8.172 370 HB2 ALA 50 HB2 ALA 50 -3.550 -6.721 9.647 371 HB3 ALA 50 HB3 ALA 50 -2.975 -6.139 8.084 372 H LEU 51 HN LEU 51 -5.624 -5.543 10.908 373 HA LEU 51 HA LEU 51 -7.395 -7.738 11.162 374 HB2 LEU 51 HB2 LEU 51 -6.920 -5.361 12.951 375 HB3 LEU 51 HB1 LEU 51 -7.932 -6.726 13.387 376 HG LEU 51 HG LEU 51 -4.968 -6.843 12.822 377 HD11 LEU 51 HD11 LEU 51 -6.505 -7.098 15.402 378 HD12 LEU 51 HD12 LEU 51 -5.480 -5.742 14.932 379 HD13 LEU 51 HD13 LEU 51 -4.768 -7.332 15.208 380 HD21 LEU 51 HD21 LEU 51 -6.091 -8.891 12.143 381 HD22 LEU 51 HD22 LEU 51 -6.887 -8.991 13.713 382 HD23 LEU 51 HD23 LEU 51 -5.137 -9.160 13.601 383 H ASN 52 HN ASN 52 -7.846 -4.333 10.557 384 HA ASN 52 HA ASN 52 -10.667 -4.336 10.940 385 HB2 ASN 52 HB2 ASN 52 -8.759 -2.412 9.640 386 HB3 ASN 52 HB1 ASN 52 -10.499 -2.154 9.573 387 HD21 ASN 52 HD21 ASN 52 -11.625 -1.709 11.474 388 HD22 ASN 52 HD22 ASN 52 -10.821 -1.163 12.902 389 H THR 53 HN THR 53 -8.576 -5.060 8.279 390 HA THR 53 HA THR 53 -10.880 -5.269 6.466 391 HB THR 53 HB THR 53 -9.324 -5.279 4.632 392 HG1 THR 53 HG1 THR 53 -7.370 -5.511 6.684 393 HG21 THR 53 HG21 THR 53 -9.879 -3.086 5.523 394 HG22 THR 53 HG22 THR 53 -8.208 -3.103 4.960 395 HG23 THR 53 HG23 THR 53 -8.559 -3.204 6.686 396 H GLY 54 HN GLY 54 -9.134 -7.175 8.522 397 HA2 GLY 54 HA2 GLY 54 -9.010 -9.450 8.805 398 HA3 GLY 54 HA1 GLY 54 -10.256 -9.582 7.575 399 H GLN 55 HN GLN 55 -7.115 -8.099 7.026 400 HA GLN 55 HA GLN 55 -6.580 -10.171 5.025 401 HB2 GLN 55 HB2 GLN 55 -5.389 -7.427 5.438 402 HB3 GLN 55 HB1 GLN 55 -4.838 -8.557 4.210 403 HG2 GLN 55 HG2 GLN 55 -7.569 -7.312 4.423 404 HG3 GLN 55 HG1 GLN 55 -6.326 -6.942 3.231 405 HE21 GLN 55 HE21 GLN 55 -5.554 -9.729 2.874 406 HE22 GLN 55 HE22 GLN 55 -6.820 -10.468 1.963 407 H ASP 56 HN ASP 56 -4.624 -11.282 4.924 408 HA ASP 56 HA ASP 56 -3.387 -11.768 7.473 409 HB2 ASP 56 HB2 ASP 56 -2.745 -12.881 4.733 410 HB3 ASP 56 HB1 ASP 56 -2.078 -13.470 6.253 411 H SER 57 HN SER 57 -1.210 -11.461 8.018 412 HA SER 57 HA SER 57 0.480 -9.931 6.212 413 HB2 SER 57 HB2 SER 57 -0.318 -8.878 8.936 414 HB3 SER 57 HB1 SER 57 0.915 -8.171 7.891 415 HG SER 57 HG SER 57 -0.872 -8.044 6.292 416 H GLY 58 HN GLY 58 2.691 -9.972 6.761 417 HA2 GLY 58 HA2 GLY 58 3.509 -11.426 9.145 418 HA3 GLY 58 HA1 GLY 58 3.845 -12.221 7.615 419 H VAL 59 HN VAL 59 5.380 -11.322 6.199 420 HA VAL 59 HA VAL 59 7.376 -9.693 7.558 421 HB VAL 59 HB VAL 59 7.547 -11.015 4.846 422 HG11 VAL 59 HG11 VAL 59 9.127 -9.187 5.132 423 HG12 VAL 59 HG12 VAL 59 9.966 -10.738 5.134 424 HG13 VAL 59 HG13 VAL 59 9.684 -9.886 6.652 425 HG21 VAL 59 HG21 VAL 59 7.187 -12.681 6.581 426 HG22 VAL 59 HG22 VAL 59 8.507 -11.999 7.531 427 HG23 VAL 59 HG23 VAL 59 8.842 -12.764 5.978 428 H TRP 60 HN TRP 60 5.124 -9.516 4.893 429 HA TRP 60 HA TRP 60 6.201 -6.956 4.007 430 HB2 TRP 60 HB2 TRP 60 3.900 -8.606 2.941 431 HB3 TRP 60 HB1 TRP 60 4.507 -7.122 2.214 432 HD1 TRP 60 HD1 TRP 60 5.499 -10.790 2.785 433 HE1 TRP 60 HE1 TRP 60 7.342 -11.404 1.097 434 HE3 TRP 60 HE3 TRP 60 6.332 -6.165 0.771 435 HZ2 TRP 60 HZ2 TRP 60 8.938 -10.101 -0.834 436 HZ3 TRP 60 HZ3 TRP 60 8.035 -5.935 -0.991 437 HH2 TRP 60 HH2 TRP 60 9.310 -7.864 -1.776 438 H GLY 61 HN GLY 61 5.194 -5.008 4.261 439 HA2 GLY 61 HA2 GLY 61 3.388 -4.725 6.433 440 HA3 GLY 61 HA1 GLY 61 3.894 -3.448 5.338 441 H GLY 62 HN GLY 62 1.249 -4.828 6.497 442 HA2 GLY 62 HA2 GLY 62 -0.414 -5.667 4.511 443 HA3 GLY 62 HA1 GLY 62 -0.956 -4.666 5.847 444 H MET 63 HN MET 63 -1.405 -4.881 2.778 445 HA MET 63 HA MET 63 -1.206 -1.988 2.253 446 HB2 MET 63 HB2 MET 63 -0.592 -4.332 0.559 447 HB3 MET 63 HB1 MET 63 -1.442 -3.012 -0.232 448 HG2 MET 63 HG2 MET 63 0.290 -1.474 0.330 449 HG3 MET 63 HG1 MET 63 1.113 -2.685 1.313 450 HE1 MET 63 HE1 MET 63 2.077 -5.311 -1.499 451 HE2 MET 63 HE2 MET 63 0.435 -5.225 -0.863 452 HE3 MET 63 HE3 MET 63 1.814 -5.066 0.227 453 H SER 64 HN SER 64 -2.830 -1.219 0.643 454 HA SER 64 HA SER 64 -5.445 -2.076 1.481 455 HB2 SER 64 HB2 SER 64 -6.253 -0.124 0.244 456 HB3 SER 64 HB1 SER 64 -4.916 0.325 1.302 457 HG SER 64 HG SER 64 -4.995 0.990 -1.092 458 H GLU 65 HN GLU 65 -7.165 -2.290 -0.135 459 HA GLU 65 HA GLU 65 -6.630 -4.412 -1.906 460 HB2 GLU 65 HB2 GLU 65 -9.036 -2.582 -1.803 461 HB3 GLU 65 HB1 GLU 65 -8.959 -4.118 -2.657 462 HG2 GLU 65 HG2 GLU 65 -8.707 -3.733 0.317 463 HG3 GLU 65 HG1 GLU 65 -10.125 -4.337 -0.538 464 H ASP 66 HN ASP 66 -6.862 -0.945 -2.349 465 HA ASP 66 HA ASP 66 -7.013 -0.888 -5.152 466 HB2 ASP 66 HB2 ASP 66 -5.799 1.113 -3.238 467 HB3 ASP 66 HB1 ASP 66 -6.134 1.430 -4.937 468 H GLU 67 HN GLU 67 -4.329 -1.023 -2.932 469 HA GLU 67 HA GLU 67 -2.262 -0.723 -4.844 470 HB2 GLU 67 HB2 GLU 67 -2.222 -2.018 -2.110 471 HB3 GLU 67 HB1 GLU 67 -0.794 -1.607 -3.054 472 HG2 GLU 67 HG2 GLU 67 -1.268 0.720 -2.897 473 HG3 GLU 67 HG1 GLU 67 -2.843 0.407 -2.177 474 H ARG 68 HN ARG 68 -3.951 -3.508 -3.495 475 HA ARG 68 HA ARG 68 -2.319 -5.517 -4.586 476 HB2 ARG 68 HB2 ARG 68 -5.281 -5.585 -3.976 477 HB3 ARG 68 HB1 ARG 68 -4.278 -6.996 -4.281 478 HG2 ARG 68 HG2 ARG 68 -3.917 -5.064 -2.000 479 HG3 ARG 68 HG1 ARG 68 -4.687 -6.648 -1.895 480 HD2 ARG 68 HD2 ARG 68 -2.599 -7.713 -2.580 481 HD3 ARG 68 HD1 ARG 68 -1.829 -6.133 -2.713 482 HE ARG 68 HE ARG 68 -2.875 -6.426 -0.125 483 HH11 ARG 68 HH11 ARG 68 -0.331 -7.705 -2.141 484 HH12 ARG 68 HH12 ARG 68 0.713 -8.070 -0.808 485 HH21 ARG 68 HH21 ARG 68 -1.505 -6.905 1.630 486 HH22 ARG 68 HH22 ARG 68 0.047 -7.616 1.332 487 H ARG 69 HN ARG 69 -5.194 -3.885 -5.868 488 HA ARG 69 HA ARG 69 -5.412 -5.401 -8.234 489 HB2 ARG 69 HB2 ARG 69 -6.292 -2.561 -7.686 490 HB3 ARG 69 HB1 ARG 69 -6.805 -3.533 -9.058 491 HG2 ARG 69 HG2 ARG 69 -7.338 -4.161 -6.162 492 HG3 ARG 69 HG1 ARG 69 -8.497 -3.483 -7.307 493 HD2 ARG 69 HD2 ARG 69 -8.312 -5.496 -8.684 494 HD3 ARG 69 HD1 ARG 69 -7.150 -6.171 -7.543 495 HE ARG 69 HE ARG 69 -9.482 -5.523 -6.143 496 HH11 ARG 69 HH11 ARG 69 -8.401 -7.766 -8.588 497 HH12 ARG 69 HH12 ARG 69 -9.547 -8.989 -8.150 498 HH21 ARG 69 HH21 ARG 69 -10.989 -7.130 -5.565 499 HH22 ARG 69 HH22 ARG 69 -11.016 -8.628 -6.435 500 H ALA 70 HN ALA 70 -3.706 -2.389 -7.505 501 HA ALA 70 HA ALA 70 -2.886 -1.733 -10.102 502 HB1 ALA 70 HB1 ALA 70 -1.321 -0.271 -9.083 503 HB2 ALA 70 HB2 ALA 70 -1.321 -1.216 -7.593 504 HB3 ALA 70 HB3 ALA 70 -2.753 -0.300 -8.054 505 H LEU 71 HN LEU 71 -1.380 -3.719 -7.632 506 HA LEU 71 HA LEU 71 1.019 -4.263 -9.053 507 HB2 LEU 71 HB2 LEU 71 0.684 -4.464 -6.575 508 HB3 LEU 71 HB1 LEU 71 -0.251 -5.916 -6.869 509 HG LEU 71 HG LEU 71 2.120 -6.305 -6.159 510 HD11 LEU 71 HD11 LEU 71 2.414 -8.177 -7.525 511 HD12 LEU 71 HD12 LEU 71 1.649 -7.402 -8.909 512 HD13 LEU 71 HD13 LEU 71 0.672 -7.902 -7.528 513 HD21 LEU 71 HD21 LEU 71 3.890 -5.996 -7.802 514 HD22 LEU 71 HD22 LEU 71 3.142 -4.454 -7.386 515 HD23 LEU 71 HD23 LEU 71 2.743 -5.244 -8.911 516 H LYS 72 HN LYS 72 -1.992 -6.094 -8.580 517 HA LYS 72 HA LYS 72 -1.223 -8.359 -10.052 518 HB2 LYS 72 HB2 LYS 72 -3.777 -7.247 -9.046 519 HB3 LYS 72 HB1 LYS 72 -3.894 -8.403 -10.366 520 HG2 LYS 72 HG2 LYS 72 -4.110 -9.475 -8.180 521 HG3 LYS 72 HG1 LYS 72 -2.699 -10.059 -9.064 522 HD2 LYS 72 HD2 LYS 72 -1.293 -8.486 -7.762 523 HD3 LYS 72 HD1 LYS 72 -2.719 -8.037 -6.826 524 HE2 LYS 72 HE2 LYS 72 -2.961 -10.355 -6.084 525 HE3 LYS 72 HE1 LYS 72 -1.535 -10.803 -7.019 526 HZ1 LYS 72 HZ1 LYS 72 -0.212 -9.320 -5.644 527 HZ2 LYS 72 HZ2 LYS 72 -0.996 -10.475 -4.690 528 HZ3 LYS 72 HZ3 LYS 72 -1.581 -8.890 -4.748 529 H ARG 73 HN ARG 73 -2.511 -5.279 -11.003 530 HA ARG 73 HA ARG 73 -3.217 -6.034 -13.658 531 HB2 ARG 73 HB2 ARG 73 -4.116 -4.018 -12.469 532 HB3 ARG 73 HB1 ARG 73 -2.536 -3.265 -12.652 533 HG2 ARG 73 HG2 ARG 73 -2.743 -3.353 -15.067 534 HG3 ARG 73 HG1 ARG 73 -4.295 -4.179 -14.920 535 HD2 ARG 73 HD2 ARG 73 -3.637 -1.383 -14.008 536 HD3 ARG 73 HD1 ARG 73 -4.660 -1.834 -15.370 537 HE ARG 73 HE ARG 73 -5.354 -1.925 -12.552 538 HH11 ARG 73 HH11 ARG 73 -6.210 -2.840 -15.812 539 HH12 ARG 73 HH12 ARG 73 -7.883 -3.078 -15.437 540 HH21 ARG 73 HH21 ARG 73 -7.552 -2.241 -12.061 541 HH22 ARG 73 HH22 ARG 73 -8.644 -2.739 -13.309 542 H ARG 74 HN ARG 74 -0.311 -4.831 -12.106 543 HA ARG 74 HA ARG 74 1.129 -4.250 -14.479 544 HB2 ARG 74 HB2 ARG 74 2.026 -4.867 -11.665 545 HB3 ARG 74 HB1 ARG 74 3.149 -4.461 -12.955 546 HG2 ARG 74 HG2 ARG 74 2.036 -2.301 -13.239 547 HG3 ARG 74 HG1 ARG 74 0.928 -2.708 -11.929 548 HD2 ARG 74 HD2 ARG 74 2.721 -1.276 -11.127 549 HD3 ARG 74 HD1 ARG 74 2.815 -2.870 -10.381 550 HE ARG 74 HE ARG 74 4.685 -1.708 -12.281 551 HH11 ARG 74 HH11 ARG 74 3.648 -4.557 -10.544 552 HH12 ARG 74 HH12 ARG 74 5.169 -5.366 -10.718 553 HH21 ARG 74 HH21 ARG 74 6.681 -2.775 -12.510 554 HH22 ARG 74 HH22 ARG 74 6.888 -4.356 -11.834 555 H ASN 75 HN ASN 75 0.922 -7.115 -12.409 556 HA ASN 75 HA ASN 75 2.831 -8.625 -13.896 557 HB2 ASN 75 HB2 ASN 75 0.698 -9.491 -11.932 558 HB3 ASN 75 HB1 ASN 75 1.927 -10.561 -12.595 559 HD21 ASN 75 HD21 ASN 75 4.059 -8.639 -12.547 560 HD22 ASN 75 HD22 ASN 75 4.486 -8.401 -10.893 561 H ALA 76 HN ALA 76 -0.639 -8.191 -14.044 562 HA ALA 76 HA ALA 76 -0.930 -10.291 -16.040 563 HB1 ALA 76 HB1 ALA 76 -2.639 -10.065 -14.302 564 HB2 ALA 76 HB2 ALA 76 -3.316 -9.821 -15.912 565 HB3 ALA 76 HB3 ALA 76 -2.998 -8.434 -14.869 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 8.508 8.290 16.187 2 H2 MET 1 HT2 MET 1 9.913 7.718 16.932 3 H3 MET 1 HT3 MET 1 8.406 7.113 17.399 4 HA MET 1 HA MET 1 9.779 6.716 14.808 5 HB2 MET 1 HB2 MET 1 8.915 4.773 16.960 6 HB3 MET 1 HB1 MET 1 9.668 4.332 15.434 7 HG2 MET 1 HG2 MET 1 11.681 5.558 16.070 8 HG3 MET 1 HG1 MET 1 10.926 6.003 17.598 9 HE1 MET 1 HE1 MET 1 11.946 1.654 16.435 10 HE2 MET 1 HE2 MET 1 12.266 3.042 15.393 11 HE3 MET 1 HE3 MET 1 10.604 2.557 15.731 12 H ASP 2 HN ASP 2 6.753 6.751 16.521 13 HA ASP 2 HA ASP 2 5.241 5.154 14.757 14 HB2 ASP 2 HB2 ASP 2 4.464 5.765 17.010 15 HB3 ASP 2 HB1 ASP 2 4.327 7.447 16.508 16 H TRP 3 HN TRP 3 5.725 8.677 14.911 17 HA TRP 3 HA TRP 3 4.081 9.305 12.720 18 HB2 TRP 3 HB2 TRP 3 5.833 11.342 12.613 19 HB3 TRP 3 HB1 TRP 3 4.546 11.247 13.809 20 HD1 TRP 3 HD1 TRP 3 8.141 9.762 13.711 21 HE1 TRP 3 HE1 TRP 3 9.267 10.294 15.959 22 HE3 TRP 3 HE3 TRP 3 4.344 12.372 15.919 23 HZ2 TRP 3 HZ2 TRP 3 8.635 11.649 18.354 24 HZ3 TRP 3 HZ3 TRP 3 4.685 13.254 18.191 25 HH2 TRP 3 HH2 TRP 3 6.787 12.898 19.382 26 H ARG 4 HN ARG 4 7.377 8.173 12.902 27 HA ARG 4 HA ARG 4 8.084 8.799 10.214 28 HB2 ARG 4 HB2 ARG 4 9.221 6.840 12.210 29 HB3 ARG 4 HB1 ARG 4 9.899 7.068 10.604 30 HG2 ARG 4 HG2 ARG 4 9.664 9.175 12.743 31 HG3 ARG 4 HG1 ARG 4 11.136 8.330 12.267 32 HD2 ARG 4 HD2 ARG 4 10.917 9.266 10.003 33 HD3 ARG 4 HD1 ARG 4 9.482 10.147 10.519 34 HE ARG 4 HE ARG 4 12.243 10.757 11.176 35 HH11 ARG 4 HH11 ARG 4 8.868 11.374 11.838 36 HH12 ARG 4 HH12 ARG 4 9.168 12.916 12.566 37 HH21 ARG 4 HH21 ARG 4 12.631 12.783 12.136 38 HH22 ARG 4 HH22 ARG 4 11.301 13.715 12.735 39 H HIS 5 HN HIS 5 6.682 6.005 11.827 40 HA HIS 5 HA HIS 5 6.804 4.211 9.659 41 HB2 HIS 5 HB2 HIS 5 4.788 4.339 11.918 42 HB3 HIS 5 HB1 HIS 5 5.088 2.944 10.884 43 HD1 HIS 5 HD1 HIS 5 5.436 2.838 13.974 44 HD2 HIS 5 HD2 HIS 5 8.509 3.523 11.265 45 HE1 HIS 5 HE1 HIS 5 7.545 2.170 15.168 46 HE2 HIS 5 HE2 HIS 5 9.382 2.509 13.477 47 H LYS 6 HN LYS 6 4.486 6.681 10.606 48 HA LYS 6 HA LYS 6 2.759 5.964 8.370 49 HB2 LYS 6 HB2 LYS 6 2.480 8.046 10.548 50 HB3 LYS 6 HB1 LYS 6 1.320 7.839 9.244 51 HG2 LYS 6 HG2 LYS 6 0.395 6.694 11.052 52 HG3 LYS 6 HG1 LYS 6 1.100 5.431 10.042 53 HD2 LYS 6 HD2 LYS 6 3.066 5.364 11.490 54 HD3 LYS 6 HD1 LYS 6 2.382 6.649 12.487 55 HE2 LYS 6 HE2 LYS 6 1.204 3.906 12.061 56 HE3 LYS 6 HE1 LYS 6 2.038 4.462 13.510 57 HZ1 LYS 6 HZ1 LYS 6 -0.500 5.572 12.438 58 HZ2 LYS 6 HZ2 LYS 6 0.303 6.123 13.820 59 HZ3 LYS 6 HZ3 LYS 6 -0.352 4.564 13.788 60 H ALA 7 HN ALA 7 5.479 7.691 8.941 61 HA ALA 7 HA ALA 7 5.055 10.012 7.367 62 HB1 ALA 7 HB1 ALA 7 6.915 9.790 9.012 63 HB2 ALA 7 HB2 ALA 7 7.453 10.289 7.410 64 HB3 ALA 7 HB3 ALA 7 7.678 8.623 7.933 65 H VAL 8 HN VAL 8 6.422 6.805 6.827 66 HA VAL 8 HA VAL 8 6.722 7.281 4.014 67 HB VAL 8 HB VAL 8 6.745 4.533 5.225 68 HG11 VAL 8 HG11 VAL 8 8.421 4.142 3.471 69 HG12 VAL 8 HG12 VAL 8 8.274 5.825 2.963 70 HG13 VAL 8 HG13 VAL 8 6.901 4.731 2.797 71 HG21 VAL 8 HG21 VAL 8 8.133 5.845 6.713 72 HG22 VAL 8 HG22 VAL 8 8.973 6.570 5.343 73 HG23 VAL 8 HG23 VAL 8 9.164 4.851 5.685 74 H CYS 9 HN CYS 9 4.231 6.232 6.176 75 HA CYS 9 HA CYS 9 2.543 4.733 4.564 76 HB2 CYS 9 HB2 CYS 9 2.173 6.552 6.837 77 HB3 CYS 9 HB1 CYS 9 0.780 6.481 5.786 78 H ARG 10 HN ARG 10 2.143 8.203 5.105 79 HA ARG 10 HA ARG 10 0.589 8.617 2.766 80 HB2 ARG 10 HB2 ARG 10 1.951 10.617 4.570 81 HB3 ARG 10 HB1 ARG 10 0.745 11.008 3.352 82 HG2 ARG 10 HG2 ARG 10 -0.906 9.664 4.550 83 HG3 ARG 10 HG1 ARG 10 0.305 9.270 5.772 84 HD2 ARG 10 HD2 ARG 10 -1.151 11.073 6.529 85 HD3 ARG 10 HD1 ARG 10 0.509 11.636 6.338 86 HE ARG 10 HE ARG 10 -0.872 12.142 3.959 87 HH11 ARG 10 HH11 ARG 10 -0.850 13.200 7.286 88 HH12 ARG 10 HH12 ARG 10 -1.431 14.789 6.915 89 HH21 ARG 10 HH21 ARG 10 -1.637 14.232 3.471 90 HH22 ARG 10 HH22 ARG 10 -1.879 15.374 4.750 91 H ASP 11 HN ASP 11 3.975 8.651 3.340 92 HA ASP 11 HA ASP 11 4.599 10.306 1.057 93 HB2 ASP 11 HB2 ASP 11 6.290 8.799 3.033 94 HB3 ASP 11 HB1 ASP 11 6.987 9.563 1.611 95 H GLU 12 HN GLU 12 3.302 7.423 1.022 96 HA GLU 12 HA GLU 12 5.170 5.993 -0.636 97 HB2 GLU 12 HB2 GLU 12 3.138 5.256 1.037 98 HB3 GLU 12 HB1 GLU 12 2.366 5.075 -0.525 99 HG2 GLU 12 HG2 GLU 12 3.270 2.980 -0.103 100 HG3 GLU 12 HG1 GLU 12 4.453 3.732 -1.172 101 H ASP 13 HN ASP 13 2.498 5.173 -2.259 102 HA ASP 13 HA ASP 13 2.974 7.258 -4.255 103 HB2 ASP 13 HB2 ASP 13 3.383 4.880 -4.946 104 HB3 ASP 13 HB1 ASP 13 1.667 4.552 -4.730 105 HA PRO 14 HA PRO 14 -0.951 9.061 -3.187 106 HB2 PRO 14 HB2 PRO 14 -1.330 10.244 -5.696 107 HB3 PRO 14 HB1 PRO 14 -0.528 10.989 -4.312 108 HG2 PRO 14 HG2 PRO 14 0.655 9.628 -6.684 109 HG3 PRO 14 HG1 PRO 14 1.251 11.030 -5.776 110 HD2 PRO 14 HD2 PRO 14 2.353 8.606 -5.485 111 HD3 PRO 14 HD1 PRO 14 2.174 9.710 -4.104 112 H GLU 15 HN GLU 15 -0.295 7.069 -5.959 113 HA GLU 15 HA GLU 15 -2.989 6.703 -6.770 114 HB2 GLU 15 HB2 GLU 15 -0.566 4.945 -7.285 115 HB3 GLU 15 HB1 GLU 15 -2.107 4.857 -8.130 116 HG2 GLU 15 HG2 GLU 15 -0.275 7.242 -8.138 117 HG3 GLU 15 HG1 GLU 15 -0.385 6.033 -9.417 118 H LEU 16 HN LEU 16 -1.086 5.394 -4.200 119 HA LEU 16 HA LEU 16 -2.630 3.000 -3.873 120 HB2 LEU 16 HB2 LEU 16 -0.892 4.368 -1.810 121 HB3 LEU 16 HB1 LEU 16 -1.438 2.701 -1.782 122 HG LEU 16 HG LEU 16 0.834 3.902 -3.197 123 HD11 LEU 16 HD11 LEU 16 0.104 1.107 -2.353 124 HD12 LEU 16 HD12 LEU 16 1.279 2.184 -1.601 125 HD13 LEU 16 HD13 LEU 16 1.597 1.510 -3.215 126 HD21 LEU 16 HD21 LEU 16 0.602 2.162 -5.013 127 HD22 LEU 16 HD22 LEU 16 -0.371 3.624 -5.169 128 HD23 LEU 16 HD23 LEU 16 -1.106 2.128 -4.602 129 H PHE 17 HN PHE 17 -3.243 6.237 -3.269 130 HA PHE 17 HA PHE 17 -5.242 5.627 -1.211 131 HB2 PHE 17 HB2 PHE 17 -4.133 8.283 -2.150 132 HB3 PHE 17 HB1 PHE 17 -5.367 8.090 -0.909 133 HD1 PHE 17 HD1 PHE 17 -4.805 7.247 1.286 134 HD2 PHE 17 HD2 PHE 17 -1.825 7.715 -1.716 135 HE1 PHE 17 HE1 PHE 17 -3.052 7.023 2.997 136 HE2 PHE 17 HE2 PHE 17 -0.066 7.490 -0.010 137 HZ PHE 17 HZ PHE 17 -0.679 7.143 2.350 138 H PHE 18 HN PHE 18 -4.917 6.043 -4.533 139 HA PHE 18 HA PHE 18 -7.796 6.603 -4.786 140 HB2 PHE 18 HB2 PHE 18 -5.560 7.647 -6.533 141 HB3 PHE 18 HB1 PHE 18 -7.268 7.761 -6.947 142 HD1 PHE 18 HD1 PHE 18 -4.991 8.569 -4.102 143 HD2 PHE 18 HD2 PHE 18 -8.347 9.720 -6.451 144 HE1 PHE 18 HE1 PHE 18 -5.148 10.674 -2.838 145 HE2 PHE 18 HE2 PHE 18 -8.511 11.828 -5.191 146 HZ PHE 18 HZ PHE 18 -6.910 12.307 -3.383 147 HA PRO 19 HA PRO 19 -7.749 2.775 -7.029 148 HB2 PRO 19 HB2 PRO 19 -10.302 3.468 -8.234 149 HB3 PRO 19 HB1 PRO 19 -9.952 2.269 -6.989 150 HG2 PRO 19 HG2 PRO 19 -11.350 4.557 -6.516 151 HG3 PRO 19 HG1 PRO 19 -10.388 3.728 -5.281 152 HD2 PRO 19 HD2 PRO 19 -9.717 6.155 -6.898 153 HD3 PRO 19 HD1 PRO 19 -9.387 5.808 -5.187 154 H VAL 20 HN VAL 20 -6.904 2.165 -8.938 155 HA VAL 20 HA VAL 20 -6.581 4.088 -11.052 156 HB VAL 20 HB VAL 20 -5.784 1.176 -11.003 157 HG11 VAL 20 HG11 VAL 20 -4.152 1.877 -12.724 158 HG12 VAL 20 HG12 VAL 20 -4.895 3.476 -12.741 159 HG13 VAL 20 HG13 VAL 20 -5.825 2.065 -13.247 160 HG21 VAL 20 HG21 VAL 20 -3.554 2.013 -10.376 161 HG22 VAL 20 HG22 VAL 20 -4.773 2.340 -9.144 162 HG23 VAL 20 HG23 VAL 20 -4.230 3.633 -10.212 163 H GLY 21 HN GLY 21 -7.194 3.739 -13.243 164 HA2 GLY 21 HA2 GLY 21 -8.843 1.679 -14.161 165 HA3 GLY 21 HA1 GLY 21 -9.886 2.958 -13.559 166 H ASN 22 HN ASN 22 -7.697 4.934 -14.403 167 HA ASN 22 HA ASN 22 -8.549 5.051 -17.206 168 HB2 ASN 22 HB2 ASN 22 -7.543 7.248 -15.391 169 HB3 ASN 22 HB1 ASN 22 -8.035 7.462 -17.068 170 HD21 ASN 22 HD21 ASN 22 -9.097 6.844 -13.822 171 HD22 ASN 22 HD22 ASN 22 -10.777 7.137 -14.099 172 H SER 23 HN SER 23 -5.766 4.469 -15.278 173 HA SER 23 HA SER 23 -4.135 4.680 -17.707 174 HB2 SER 23 HB2 SER 23 -2.281 5.676 -16.416 175 HB3 SER 23 HB1 SER 23 -3.702 6.723 -16.441 176 HG SER 23 HG SER 23 -3.860 6.516 -14.353 177 H GLY 24 HN GLY 24 -2.256 3.422 -17.751 178 HA2 GLY 24 HA2 GLY 24 -2.417 0.992 -16.161 179 HA3 GLY 24 HA1 GLY 24 -1.388 1.254 -17.564 180 HA PRO 25 HA PRO 25 2.124 2.808 -15.291 181 HB2 PRO 25 HB2 PRO 25 1.122 5.622 -15.181 182 HB3 PRO 25 HB1 PRO 25 2.720 5.020 -15.640 183 HG2 PRO 25 HG2 PRO 25 1.001 5.811 -17.503 184 HG3 PRO 25 HG1 PRO 25 2.015 4.377 -17.758 185 HD2 PRO 25 HD2 PRO 25 -0.884 4.557 -17.089 186 HD3 PRO 25 HD1 PRO 25 -0.032 3.377 -18.104 187 H ALA 26 HN ALA 26 -1.017 3.847 -14.213 188 HA ALA 26 HA ALA 26 -0.339 4.676 -11.613 189 HB1 ALA 26 HB1 ALA 26 -2.686 4.525 -12.981 190 HB2 ALA 26 HB2 ALA 26 -2.552 4.834 -11.248 191 HB3 ALA 26 HB3 ALA 26 -2.869 3.198 -11.826 192 H LEU 27 HN LEU 27 -0.838 1.527 -13.000 193 HA LEU 27 HA LEU 27 -0.883 0.082 -10.549 194 HB2 LEU 27 HB2 LEU 27 -0.149 -0.791 -13.338 195 HB3 LEU 27 HB1 LEU 27 -0.403 -1.880 -11.989 196 HG LEU 27 HG LEU 27 -2.444 -2.048 -13.008 197 HD11 LEU 27 HD11 LEU 27 -4.030 -1.030 -11.670 198 HD12 LEU 27 HD12 LEU 27 -3.118 0.476 -11.560 199 HD13 LEU 27 HD13 LEU 27 -2.579 -0.947 -10.670 200 HD21 LEU 27 HD21 LEU 27 -3.523 -0.355 -14.305 201 HD22 LEU 27 HD22 LEU 27 -1.826 -0.406 -14.781 202 HD23 LEU 27 HD23 LEU 27 -2.407 0.877 -13.721 203 H ALA 28 HN ALA 28 1.614 0.932 -12.875 204 HA ALA 28 HA ALA 28 3.692 -0.464 -11.521 205 HB1 ALA 28 HB1 ALA 28 3.891 1.836 -13.465 206 HB2 ALA 28 HB2 ALA 28 3.874 0.126 -13.893 207 HB3 ALA 28 HB3 ALA 28 5.219 0.789 -12.966 208 H GLN 29 HN GLN 29 2.315 2.710 -11.369 209 HA GLN 29 HA GLN 29 4.338 3.897 -9.717 210 HB2 GLN 29 HB2 GLN 29 1.465 4.615 -10.358 211 HB3 GLN 29 HB1 GLN 29 2.442 5.571 -9.247 212 HG2 GLN 29 HG2 GLN 29 3.096 5.031 -12.134 213 HG3 GLN 29 HG1 GLN 29 2.414 6.524 -11.489 214 HE21 GLN 29 HE21 GLN 29 4.912 6.069 -12.930 215 HE22 GLN 29 HE22 GLN 29 6.170 6.651 -11.899 216 H ILE 30 HN ILE 30 1.096 2.650 -9.145 217 HA ILE 30 HA ILE 30 1.067 2.777 -6.408 218 HB ILE 30 HB ILE 30 -0.315 0.948 -8.345 219 HG12 ILE 30 HG12 ILE 30 -1.282 3.248 -6.643 220 HG13 ILE 30 HG11 ILE 30 -1.017 3.276 -8.376 221 HG21 ILE 30 HG21 ILE 30 -0.088 0.671 -5.471 222 HG22 ILE 30 HG22 ILE 30 -0.692 -0.465 -6.688 223 HG23 ILE 30 HG23 ILE 30 -1.762 0.770 -6.022 224 HD11 ILE 30 HD11 ILE 30 -2.790 1.599 -8.638 225 HD12 ILE 30 HD12 ILE 30 -3.359 3.099 -7.907 226 HD13 ILE 30 HD13 ILE 30 -3.084 1.675 -6.902 227 H ALA 31 HN ALA 31 2.166 0.230 -8.523 228 HA ALA 31 HA ALA 31 2.642 -1.745 -6.597 229 HB1 ALA 31 HB1 ALA 31 4.065 -1.307 -9.222 230 HB2 ALA 31 HB2 ALA 31 2.568 -2.211 -8.997 231 HB3 ALA 31 HB3 ALA 31 4.068 -2.796 -8.277 232 H ASP 32 HN ASP 32 4.404 1.089 -7.483 233 HA ASP 32 HA ASP 32 6.946 0.191 -6.493 234 HB2 ASP 32 HB2 ASP 32 5.945 2.951 -7.223 235 HB3 ASP 32 HB1 ASP 32 7.594 2.607 -6.711 236 H ALA 33 HN ALA 33 4.270 2.120 -5.374 237 HA ALA 33 HA ALA 33 5.473 2.805 -2.895 238 HB1 ALA 33 HB1 ALA 33 2.737 2.958 -4.031 239 HB2 ALA 33 HB2 ALA 33 3.759 4.212 -3.331 240 HB3 ALA 33 HB3 ALA 33 2.928 3.074 -2.281 241 H LYS 34 HN LYS 34 3.553 0.120 -4.061 242 HA LYS 34 HA LYS 34 2.902 -1.077 -1.623 243 HB2 LYS 34 HB2 LYS 34 1.901 -1.811 -3.713 244 HB3 LYS 34 HB1 LYS 34 3.465 -2.359 -4.302 245 HG2 LYS 34 HG2 LYS 34 3.417 -3.861 -2.162 246 HG3 LYS 34 HG1 LYS 34 1.679 -3.576 -2.251 247 HD2 LYS 34 HD2 LYS 34 1.529 -4.569 -4.390 248 HD3 LYS 34 HD1 LYS 34 3.281 -4.547 -4.603 249 HE2 LYS 34 HE2 LYS 34 1.755 -6.207 -2.598 250 HE3 LYS 34 HE1 LYS 34 2.478 -6.797 -4.095 251 HZ1 LYS 34 HZ1 LYS 34 3.906 -5.702 -1.735 252 HZ2 LYS 34 HZ2 LYS 34 4.655 -6.061 -3.209 253 HZ3 LYS 34 HZ3 LYS 34 3.940 -7.296 -2.302 254 H LEU 35 HN LEU 35 5.808 -1.500 -3.677 255 HA LEU 35 HA LEU 35 6.949 -3.483 -1.968 256 HB2 LEU 35 HB2 LEU 35 8.099 -1.736 -4.130 257 HB3 LEU 35 HB1 LEU 35 9.106 -2.822 -3.191 258 HG LEU 35 HG LEU 35 8.587 -3.947 -5.212 259 HD11 LEU 35 HD11 LEU 35 6.685 -5.018 -3.137 260 HD12 LEU 35 HD12 LEU 35 8.428 -5.287 -3.134 261 HD13 LEU 35 HD13 LEU 35 7.441 -5.916 -4.453 262 HD21 LEU 35 HD21 LEU 35 5.728 -3.186 -4.662 263 HD22 LEU 35 HD22 LEU 35 6.228 -4.322 -5.915 264 HD23 LEU 35 HD23 LEU 35 6.749 -2.638 -5.990 265 H VAL 36 HN VAL 36 7.392 -0.010 -2.319 266 HA VAL 36 HA VAL 36 9.410 0.259 -0.349 267 HB VAL 36 HB VAL 36 7.398 2.316 -1.282 268 HG11 VAL 36 HG11 VAL 36 10.012 2.671 0.183 269 HG12 VAL 36 HG12 VAL 36 8.401 2.947 0.845 270 HG13 VAL 36 HG13 VAL 36 9.007 3.972 -0.455 271 HG21 VAL 36 HG21 VAL 36 9.094 3.058 -2.817 272 HG22 VAL 36 HG22 VAL 36 8.823 1.333 -3.067 273 HG23 VAL 36 HG23 VAL 36 10.244 1.883 -2.180 274 H CYS 37 HN CYS 37 5.928 0.175 -0.211 275 HA CYS 37 HA CYS 37 5.649 1.091 2.472 276 HB2 CYS 37 HB2 CYS 37 3.775 1.306 1.003 277 HB3 CYS 37 HB1 CYS 37 3.824 -0.399 0.581 278 H ASN 38 HN ASN 38 6.276 -1.990 0.981 279 HA ASN 38 HA ASN 38 5.633 -3.528 3.329 280 HB2 ASN 38 HB2 ASN 38 6.950 -4.247 0.711 281 HB3 ASN 38 HB1 ASN 38 6.681 -5.409 2.006 282 HD21 ASN 38 HD21 ASN 38 5.327 -6.641 0.698 283 HD22 ASN 38 HD22 ASN 38 3.719 -6.139 0.317 284 H ARG 39 HN ARG 39 8.511 -2.076 1.945 285 HA ARG 39 HA ARG 39 10.235 -3.516 3.801 286 HB2 ARG 39 HB2 ARG 39 10.896 -1.419 1.729 287 HB3 ARG 39 HB1 ARG 39 12.074 -2.314 2.679 288 HG2 ARG 39 HG2 ARG 39 11.319 -4.400 1.659 289 HG3 ARG 39 HG1 ARG 39 10.134 -3.504 0.707 290 HD2 ARG 39 HD2 ARG 39 11.945 -2.258 -0.368 291 HD3 ARG 39 HD1 ARG 39 13.128 -3.153 0.584 292 HE ARG 39 HE ARG 39 11.540 -4.991 -0.803 293 HH11 ARG 39 HH11 ARG 39 13.926 -2.530 -1.457 294 HH12 ARG 39 HH12 ARG 39 14.505 -3.297 -2.897 295 HH21 ARG 39 HH21 ARG 39 12.299 -6.001 -2.698 296 HH22 ARG 39 HH22 ARG 39 13.581 -5.267 -3.603 297 H CYS 40 HN CYS 40 8.352 -0.761 3.917 298 HA CYS 40 HA CYS 40 10.104 0.891 5.473 299 HB2 CYS 40 HB2 CYS 40 8.583 2.307 4.585 300 HB3 CYS 40 HB1 CYS 40 7.370 1.050 4.412 301 HA PRO 41 HA PRO 41 9.948 -0.576 9.618 302 HB2 PRO 41 HB2 PRO 41 8.380 1.928 10.128 303 HB3 PRO 41 HB1 PRO 41 9.691 1.220 11.080 304 HG2 PRO 41 HG2 PRO 41 10.140 3.260 9.406 305 HG3 PRO 41 HG1 PRO 41 11.328 1.964 9.625 306 HD2 PRO 41 HD2 PRO 41 9.614 2.557 7.305 307 HD3 PRO 41 HD1 PRO 41 11.112 1.611 7.388 308 H VAL 42 HN VAL 42 8.654 -2.266 9.971 309 HA VAL 42 HA VAL 42 5.877 -2.311 9.369 310 HB VAL 42 HB VAL 42 7.249 -4.340 9.295 311 HG11 VAL 42 HG11 VAL 42 7.376 -4.059 12.295 312 HG12 VAL 42 HG12 VAL 42 8.725 -3.883 11.173 313 HG13 VAL 42 HG13 VAL 42 7.939 -5.450 11.369 314 HG21 VAL 42 HG21 VAL 42 5.692 -5.841 10.481 315 HG22 VAL 42 HG22 VAL 42 4.857 -4.592 9.557 316 HG23 VAL 42 HG23 VAL 42 5.006 -4.442 11.308 317 H THR 43 HN THR 43 4.135 -2.028 10.627 318 HA THR 43 HA THR 43 4.503 -1.544 13.500 319 HB THR 43 HB THR 43 2.899 0.310 13.420 320 HG1 THR 43 HG1 THR 43 1.834 -0.301 11.466 321 HG21 THR 43 HG21 THR 43 5.181 0.763 11.514 322 HG22 THR 43 HG22 THR 43 5.315 0.762 13.273 323 HG23 THR 43 HG23 THR 43 4.330 1.980 12.464 324 H THR 44 HN THR 44 2.472 -1.561 14.706 325 HA THR 44 HA THR 44 0.956 -3.853 14.282 326 HB THR 44 HB THR 44 0.111 -1.388 15.828 327 HG1 THR 44 HG1 THR 44 1.380 -2.091 17.400 328 HG21 THR 44 HG21 THR 44 -1.264 -2.955 17.124 329 HG22 THR 44 HG22 THR 44 -0.762 -4.272 16.062 330 HG23 THR 44 HG23 THR 44 -1.733 -2.944 15.424 331 H GLU 45 HN GLU 45 0.653 -0.621 13.028 332 HA GLU 45 HA GLU 45 -2.061 -0.634 12.286 333 HB2 GLU 45 HB2 GLU 45 0.268 0.711 10.897 334 HB3 GLU 45 HB1 GLU 45 -1.429 1.098 10.653 335 HG2 GLU 45 HG2 GLU 45 0.123 1.430 13.210 336 HG3 GLU 45 HG1 GLU 45 -0.376 2.716 12.112 337 H CYS 46 HN CYS 46 0.830 -1.701 10.565 338 HA CYS 46 HA CYS 46 -0.538 -2.444 8.181 339 HB2 CYS 46 HB2 CYS 46 2.028 -3.790 8.817 340 HB3 CYS 46 HB1 CYS 46 1.513 -2.989 7.338 341 H LEU 47 HN LEU 47 0.645 -4.270 11.001 342 HA LEU 47 HA LEU 47 -0.121 -6.819 10.056 343 HB2 LEU 47 HB2 LEU 47 0.237 -5.761 12.857 344 HB3 LEU 47 HB1 LEU 47 -0.147 -7.437 12.515 345 HG LEU 47 HG LEU 47 1.976 -7.491 11.110 346 HD11 LEU 47 HD11 LEU 47 2.411 -4.909 12.592 347 HD12 LEU 47 HD12 LEU 47 2.328 -5.129 10.843 348 HD13 LEU 47 HD13 LEU 47 3.674 -5.813 11.755 349 HD21 LEU 47 HD21 LEU 47 2.179 -7.027 14.082 350 HD22 LEU 47 HD22 LEU 47 3.396 -7.820 13.082 351 HD23 LEU 47 HD23 LEU 47 1.807 -8.557 13.288 352 H SER 48 HN SER 48 -1.758 -4.421 12.046 353 HA SER 48 HA SER 48 -4.082 -5.883 12.594 354 HB2 SER 48 HB2 SER 48 -3.532 -3.805 13.779 355 HB3 SER 48 HB1 SER 48 -3.764 -2.888 12.291 356 HG SER 48 HG SER 48 -5.960 -3.628 12.318 357 H TRP 49 HN TRP 49 -3.113 -3.998 9.845 358 HA TRP 49 HA TRP 49 -5.606 -3.847 8.538 359 HB2 TRP 49 HB2 TRP 49 -3.726 -2.437 7.857 360 HB3 TRP 49 HB1 TRP 49 -2.808 -3.861 7.378 361 HD1 TRP 49 HD1 TRP 49 -3.089 -4.660 4.938 362 HE1 TRP 49 HE1 TRP 49 -4.609 -3.996 2.971 363 HE3 TRP 49 HE3 TRP 49 -6.277 -1.513 7.402 364 HZ2 TRP 49 HZ2 TRP 49 -6.862 -2.358 2.523 365 HZ3 TRP 49 HZ3 TRP 49 -8.089 -0.439 6.131 366 HH2 TRP 49 HH2 TRP 49 -8.374 -0.852 3.742 367 H ALA 50 HN ALA 50 -2.978 -6.201 8.479 368 HA ALA 50 HA ALA 50 -3.983 -7.885 6.476 369 HB1 ALA 50 HB1 ALA 50 -2.323 -8.633 8.885 370 HB2 ALA 50 HB2 ALA 50 -1.697 -8.051 7.342 371 HB3 ALA 50 HB3 ALA 50 -2.531 -9.603 7.427 372 H LEU 51 HN LEU 51 -4.564 -7.779 9.968 373 HA LEU 51 HA LEU 51 -6.194 -10.113 10.014 374 HB2 LEU 51 HB2 LEU 51 -5.862 -7.833 11.945 375 HB3 LEU 51 HB1 LEU 51 -6.990 -9.142 12.236 376 HG LEU 51 HG LEU 51 -5.019 -9.625 13.471 377 HD11 LEU 51 HD11 LEU 51 -4.933 -11.290 10.963 378 HD12 LEU 51 HD12 LEU 51 -6.063 -11.521 12.298 379 HD13 LEU 51 HD13 LEU 51 -4.333 -11.747 12.557 380 HD21 LEU 51 HD21 LEU 51 -2.804 -9.790 12.421 381 HD22 LEU 51 HD22 LEU 51 -3.465 -8.157 12.336 382 HD23 LEU 51 HD23 LEU 51 -3.489 -9.195 10.910 383 H ASN 52 HN ASN 52 -6.789 -6.725 9.525 384 HA ASN 52 HA ASN 52 -9.625 -6.866 9.712 385 HB2 ASN 52 HB2 ASN 52 -7.792 -4.810 8.475 386 HB3 ASN 52 HB1 ASN 52 -9.540 -4.621 8.570 387 HD21 ASN 52 HD21 ASN 52 -9.340 -2.791 9.858 388 HD22 ASN 52 HD22 ASN 52 -8.888 -2.886 11.523 389 H THR 53 HN THR 53 -7.318 -7.382 7.185 390 HA THR 53 HA THR 53 -9.463 -7.629 5.194 391 HB THR 53 HB THR 53 -7.758 -7.545 3.493 392 HG1 THR 53 HG1 THR 53 -5.977 -7.746 5.700 393 HG21 THR 53 HG21 THR 53 -7.293 -5.487 5.649 394 HG22 THR 53 HG22 THR 53 -8.466 -5.393 4.335 395 HG23 THR 53 HG23 THR 53 -6.739 -5.336 3.982 396 H GLY 54 HN GLY 54 -7.823 -9.523 7.339 397 HA2 GLY 54 HA2 GLY 54 -7.650 -11.793 7.594 398 HA3 GLY 54 HA1 GLY 54 -8.785 -11.942 6.263 399 H GLN 55 HN GLN 55 -5.593 -10.420 6.093 400 HA GLN 55 HA GLN 55 -4.887 -12.356 4.017 401 HB2 GLN 55 HB2 GLN 55 -3.647 -9.725 4.829 402 HB3 GLN 55 HB1 GLN 55 -2.976 -10.777 3.589 403 HG2 GLN 55 HG2 GLN 55 -4.984 -10.537 2.259 404 HG3 GLN 55 HG1 GLN 55 -5.722 -9.548 3.517 405 HE21 GLN 55 HE21 GLN 55 -5.983 -7.797 2.145 406 HE22 GLN 55 HE22 GLN 55 -4.654 -6.827 1.618 407 H ASP 56 HN ASP 56 -3.415 -13.908 4.289 408 HA ASP 56 HA ASP 56 -2.256 -14.312 6.889 409 HB2 ASP 56 HB2 ASP 56 -1.927 -15.887 4.326 410 HB3 ASP 56 HB1 ASP 56 -1.361 -16.397 5.914 411 H SER 57 HN SER 57 -0.861 -12.490 7.066 412 HA SER 57 HA SER 57 1.766 -12.998 5.979 413 HB2 SER 57 HB2 SER 57 2.040 -10.733 5.032 414 HB3 SER 57 HB1 SER 57 0.789 -11.647 4.190 415 HG SER 57 HG SER 57 0.430 -9.619 6.139 416 H GLY 58 HN GLY 58 3.429 -11.979 7.127 417 HA2 GLY 58 HA2 GLY 58 2.586 -10.960 9.745 418 HA3 GLY 58 HA1 GLY 58 4.180 -11.588 9.346 419 H VAL 59 HN VAL 59 5.501 -10.262 7.851 420 HA VAL 59 HA VAL 59 5.260 -7.453 8.588 421 HB VAL 59 HB VAL 59 7.490 -8.827 7.078 422 HG11 VAL 59 HG11 VAL 59 7.420 -6.422 6.715 423 HG12 VAL 59 HG12 VAL 59 8.807 -6.859 7.713 424 HG13 VAL 59 HG13 VAL 59 7.377 -6.146 8.457 425 HG21 VAL 59 HG21 VAL 59 7.263 -8.187 10.018 426 HG22 VAL 59 HG22 VAL 59 8.700 -8.814 9.212 427 HG23 VAL 59 HG23 VAL 59 7.238 -9.796 9.296 428 H TRP 60 HN TRP 60 3.436 -6.994 7.228 429 HA TRP 60 HA TRP 60 4.112 -6.816 4.365 430 HB2 TRP 60 HB2 TRP 60 2.198 -8.316 4.898 431 HB3 TRP 60 HB1 TRP 60 1.355 -6.943 5.606 432 HD1 TRP 60 HD1 TRP 60 -0.031 -5.461 4.001 433 HE1 TRP 60 HE1 TRP 60 -0.410 -5.411 1.456 434 HE3 TRP 60 HE3 TRP 60 3.548 -8.823 2.580 435 HZ2 TRP 60 HZ2 TRP 60 0.664 -6.635 -0.849 436 HZ3 TRP 60 HZ3 TRP 60 3.806 -9.330 0.186 437 HH2 TRP 60 HH2 TRP 60 2.393 -8.257 -1.492 438 H GLY 61 HN GLY 61 3.396 -4.933 3.218 439 HA2 GLY 61 HA2 GLY 61 3.943 -2.519 4.509 440 HA3 GLY 61 HA1 GLY 61 3.152 -2.668 2.948 441 H GLY 62 HN GLY 62 0.759 -3.573 3.284 442 HA2 GLY 62 HA2 GLY 62 -1.268 -3.413 4.493 443 HA3 GLY 62 HA1 GLY 62 -0.488 -2.297 5.604 444 H MET 63 HN MET 63 -1.992 -2.640 2.456 445 HA MET 63 HA MET 63 -2.490 0.252 2.470 446 HB2 MET 63 HB2 MET 63 -0.736 -0.859 0.732 447 HB3 MET 63 HB1 MET 63 -2.227 -1.005 -0.188 448 HG2 MET 63 HG2 MET 63 -1.048 1.053 -0.727 449 HG3 MET 63 HG1 MET 63 -2.611 1.385 0.016 450 HE1 MET 63 HE1 MET 63 -1.717 3.842 0.224 451 HE2 MET 63 HE2 MET 63 -0.034 3.539 -0.211 452 HE3 MET 63 HE3 MET 63 -0.420 4.353 1.304 453 H SER 64 HN SER 64 -4.308 0.840 0.939 454 HA SER 64 HA SER 64 -6.609 -0.569 1.694 455 HB2 SER 64 HB2 SER 64 -7.809 1.023 0.274 456 HB3 SER 64 HB1 SER 64 -6.598 1.848 1.256 457 HG SER 64 HG SER 64 -6.676 2.444 -1.029 458 H GLU 65 HN GLU 65 -8.266 -1.268 0.201 459 HA GLU 65 HA GLU 65 -7.499 -3.483 -1.293 460 HB2 GLU 65 HB2 GLU 65 -10.057 -1.883 -1.508 461 HB3 GLU 65 HB1 GLU 65 -9.820 -3.508 -2.134 462 HG2 GLU 65 HG2 GLU 65 -9.450 -4.331 0.135 463 HG3 GLU 65 HG1 GLU 65 -9.688 -2.702 0.762 464 H ASP 66 HN ASP 66 -7.954 -0.145 -2.230 465 HA ASP 66 HA ASP 66 -8.040 -0.497 -5.014 466 HB2 ASP 66 HB2 ASP 66 -6.982 1.829 -3.395 467 HB3 ASP 66 HB1 ASP 66 -7.284 1.873 -5.129 468 H GLU 67 HN GLU 67 -5.437 -0.357 -2.720 469 HA GLU 67 HA GLU 67 -3.320 -0.217 -4.620 470 HB2 GLU 67 HB2 GLU 67 -2.968 0.458 -2.301 471 HB3 GLU 67 HB1 GLU 67 -3.348 -1.165 -1.746 472 HG2 GLU 67 HG2 GLU 67 -1.049 -0.615 -3.592 473 HG3 GLU 67 HG1 GLU 67 -0.899 -0.494 -1.842 474 H ARG 68 HN ARG 68 -5.041 -2.809 -2.966 475 HA ARG 68 HA ARG 68 -3.407 -4.949 -3.763 476 HB2 ARG 68 HB2 ARG 68 -5.119 -5.160 -2.021 477 HB3 ARG 68 HB1 ARG 68 -6.383 -4.922 -3.220 478 HG2 ARG 68 HG2 ARG 68 -6.156 -7.268 -2.641 479 HG3 ARG 68 HG1 ARG 68 -5.729 -6.993 -4.331 480 HD2 ARG 68 HD2 ARG 68 -4.155 -8.520 -3.267 481 HD3 ARG 68 HD1 ARG 68 -3.359 -7.020 -3.744 482 HE ARG 68 HE ARG 68 -4.199 -6.770 -1.087 483 HH11 ARG 68 HH11 ARG 68 -1.896 -8.590 -2.975 484 HH12 ARG 68 HH12 ARG 68 -0.776 -8.769 -1.668 485 HH21 ARG 68 HH21 ARG 68 -2.725 -7.004 0.635 486 HH22 ARG 68 HH22 ARG 68 -1.246 -7.870 0.382 487 H ARG 69 HN ARG 69 -6.247 -3.484 -5.306 488 HA ARG 69 HA ARG 69 -6.338 -5.273 -7.502 489 HB2 ARG 69 HB2 ARG 69 -8.256 -3.879 -6.841 490 HB3 ARG 69 HB1 ARG 69 -7.364 -2.434 -7.297 491 HG2 ARG 69 HG2 ARG 69 -7.309 -3.197 -9.617 492 HG3 ARG 69 HG1 ARG 69 -8.208 -4.645 -9.159 493 HD2 ARG 69 HD2 ARG 69 -9.700 -2.987 -10.120 494 HD3 ARG 69 HD1 ARG 69 -10.075 -3.241 -8.415 495 HE ARG 69 HE ARG 69 -8.312 -1.103 -8.550 496 HH11 ARG 69 HH11 ARG 69 -11.538 -1.868 -9.641 497 HH12 ARG 69 HH12 ARG 69 -12.083 -0.226 -9.581 498 HH21 ARG 69 HH21 ARG 69 -9.028 1.058 -8.471 499 HH22 ARG 69 HH22 ARG 69 -10.658 1.436 -8.916 500 H ALA 70 HN ALA 70 -4.749 -2.194 -6.932 501 HA ALA 70 HA ALA 70 -3.833 -1.660 -9.522 502 HB1 ALA 70 HB1 ALA 70 -2.137 -0.263 -8.408 503 HB2 ALA 70 HB2 ALA 70 -2.605 -0.973 -6.861 504 HB3 ALA 70 HB3 ALA 70 -3.761 -0.003 -7.772 505 H LEU 71 HN LEU 71 -2.636 -3.726 -6.996 506 HA LEU 71 HA LEU 71 -0.083 -4.278 -8.152 507 HB2 LEU 71 HB2 LEU 71 -0.355 -4.564 -5.798 508 HB3 LEU 71 HB1 LEU 71 -1.720 -5.641 -6.022 509 HG LEU 71 HG LEU 71 -0.178 -7.308 -7.046 510 HD11 LEU 71 HD11 LEU 71 1.911 -5.311 -6.204 511 HD12 LEU 71 HD12 LEU 71 1.581 -5.895 -7.834 512 HD13 LEU 71 HD13 LEU 71 2.252 -6.989 -6.625 513 HD21 LEU 71 HD21 LEU 71 0.986 -7.861 -4.878 514 HD22 LEU 71 HD22 LEU 71 -0.762 -7.645 -4.782 515 HD23 LEU 71 HD23 LEU 71 0.317 -6.361 -4.236 516 H LYS 72 HN LYS 72 -3.184 -6.013 -8.040 517 HA LYS 72 HA LYS 72 -2.336 -8.290 -9.445 518 HB2 LYS 72 HB2 LYS 72 -4.400 -8.238 -8.124 519 HB3 LYS 72 HB1 LYS 72 -5.100 -7.092 -9.257 520 HG2 LYS 72 HG2 LYS 72 -6.034 -8.988 -10.062 521 HG3 LYS 72 HG1 LYS 72 -4.528 -9.029 -10.979 522 HD2 LYS 72 HD2 LYS 72 -5.085 -10.492 -8.399 523 HD3 LYS 72 HD1 LYS 72 -5.014 -11.211 -10.007 524 HE2 LYS 72 HE2 LYS 72 -2.650 -10.436 -10.171 525 HE3 LYS 72 HE1 LYS 72 -2.756 -9.913 -8.490 526 HZ1 LYS 72 HZ1 LYS 72 -3.228 -12.193 -7.847 527 HZ2 LYS 72 HZ2 LYS 72 -1.753 -12.099 -8.670 528 HZ3 LYS 72 HZ3 LYS 72 -3.125 -12.696 -9.459 529 H ARG 73 HN ARG 73 -3.663 -5.242 -10.516 530 HA ARG 73 HA ARG 73 -3.936 -5.998 -13.250 531 HB2 ARG 73 HB2 ARG 73 -5.220 -4.141 -12.256 532 HB3 ARG 73 HB1 ARG 73 -3.729 -3.234 -12.041 533 HG2 ARG 73 HG2 ARG 73 -3.411 -3.077 -14.412 534 HG3 ARG 73 HG1 ARG 73 -4.784 -4.145 -14.708 535 HD2 ARG 73 HD2 ARG 73 -6.288 -2.496 -13.722 536 HD3 ARG 73 HD1 ARG 73 -4.920 -1.433 -13.395 537 HE ARG 73 HE ARG 73 -4.755 -1.827 -16.059 538 HH11 ARG 73 HH11 ARG 73 -7.367 -0.838 -13.968 539 HH12 ARG 73 HH12 ARG 73 -8.139 0.128 -15.182 540 HH21 ARG 73 HH21 ARG 73 -5.766 -0.556 -17.656 541 HH22 ARG 73 HH22 ARG 73 -7.229 0.288 -17.275 542 H ARG 74 HN ARG 74 -1.388 -4.558 -11.325 543 HA ARG 74 HA ARG 74 0.273 -3.694 -13.432 544 HB2 ARG 74 HB2 ARG 74 0.383 -3.274 -10.839 545 HB3 ARG 74 HB1 ARG 74 1.401 -4.707 -10.848 546 HG2 ARG 74 HG2 ARG 74 1.898 -2.159 -12.373 547 HG3 ARG 74 HG1 ARG 74 2.749 -2.700 -10.926 548 HD2 ARG 74 HD2 ARG 74 3.439 -4.740 -12.228 549 HD3 ARG 74 HD1 ARG 74 2.782 -3.954 -13.662 550 HE ARG 74 HE ARG 74 4.567 -2.188 -12.435 551 HH11 ARG 74 HH11 ARG 74 4.604 -5.245 -14.118 552 HH12 ARG 74 HH12 ARG 74 6.207 -5.028 -14.736 553 HH21 ARG 74 HH21 ARG 74 6.676 -1.902 -13.246 554 HH22 ARG 74 HH22 ARG 74 7.384 -3.131 -14.241 555 H ASN 75 HN ASN 75 0.083 -6.750 -11.652 556 HA ASN 75 HA ASN 75 2.276 -7.961 -13.015 557 HB2 ASN 75 HB2 ASN 75 0.098 -8.975 -11.214 558 HB3 ASN 75 HB1 ASN 75 1.140 -10.108 -12.066 559 HD21 ASN 75 HD21 ASN 75 2.200 -6.978 -10.873 560 HD22 ASN 75 HD22 ASN 75 3.250 -7.597 -9.652 561 H ALA 76 HN ALA 76 -1.165 -7.751 -13.575 562 HA ALA 76 HA ALA 76 -2.481 -8.372 -15.325 563 HB1 ALA 76 HB1 ALA 76 -0.816 -7.141 -16.632 564 HB2 ALA 76 HB2 ALA 76 -1.458 -8.516 -17.531 565 HB3 ALA 76 HB3 ALA 76 0.142 -8.614 -16.796 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 10.551 7.666 17.120 2 H2 MET 1 HT2 MET 1 9.155 6.807 17.532 3 H3 MET 1 HT3 MET 1 9.055 8.127 16.478 4 HA MET 1 HA MET 1 10.478 6.923 14.889 5 HB2 MET 1 HB2 MET 1 9.958 4.631 16.794 6 HB3 MET 1 HB1 MET 1 10.715 4.489 15.213 7 HG2 MET 1 HG2 MET 1 12.558 5.905 15.973 8 HG3 MET 1 HG1 MET 1 11.800 6.031 17.559 9 HE1 MET 1 HE1 MET 1 10.639 3.066 17.904 10 HE2 MET 1 HE2 MET 1 11.452 3.950 19.195 11 HE3 MET 1 HE3 MET 1 11.954 2.307 18.799 12 H ASP 2 HN ASP 2 7.546 6.285 16.659 13 HA ASP 2 HA ASP 2 6.174 4.689 14.833 14 HB2 ASP 2 HB2 ASP 2 5.062 6.824 16.667 15 HB3 ASP 2 HB1 ASP 2 4.116 5.562 15.883 16 H TRP 3 HN TRP 3 6.527 8.202 14.997 17 HA TRP 3 HA TRP 3 4.726 8.847 12.941 18 HB2 TRP 3 HB2 TRP 3 6.108 10.961 12.746 19 HB3 TRP 3 HB1 TRP 3 5.484 10.610 14.355 20 HD1 TRP 3 HD1 TRP 3 7.278 9.746 16.194 21 HE1 TRP 3 HE1 TRP 3 9.811 10.123 16.372 22 HE3 TRP 3 HE3 TRP 3 8.211 11.265 11.403 23 HZ2 TRP 3 HZ2 TRP 3 11.933 10.965 14.708 24 HZ3 TRP 3 HZ3 TRP 3 10.520 11.842 10.777 25 HH2 TRP 3 HH2 TRP 3 12.342 11.695 12.397 26 H ARG 4 HN ARG 4 8.017 7.692 12.899 27 HA ARG 4 HA ARG 4 8.579 8.332 10.184 28 HB2 ARG 4 HB2 ARG 4 9.822 6.221 11.956 29 HB3 ARG 4 HB1 ARG 4 10.483 6.799 10.433 30 HG2 ARG 4 HG2 ARG 4 10.637 9.072 11.442 31 HG3 ARG 4 HG1 ARG 4 10.153 8.361 12.982 32 HD2 ARG 4 HD2 ARG 4 12.606 7.675 11.368 33 HD3 ARG 4 HD1 ARG 4 12.563 8.566 12.888 34 HE ARG 4 HE ARG 4 11.355 6.083 13.305 35 HH11 ARG 4 HH11 ARG 4 14.504 7.389 12.559 36 HH12 ARG 4 HH12 ARG 4 15.361 6.091 13.320 37 HH21 ARG 4 HH21 ARG 4 12.481 4.373 14.306 38 HH22 ARG 4 HH22 ARG 4 14.214 4.379 14.311 39 H HIS 5 HN HIS 5 7.380 5.419 11.820 40 HA HIS 5 HA HIS 5 7.372 3.751 9.550 41 HB2 HIS 5 HB2 HIS 5 5.571 3.648 11.982 42 HB3 HIS 5 HB1 HIS 5 5.818 2.338 10.833 43 HD1 HIS 5 HD1 HIS 5 7.574 4.218 13.571 44 HD2 HIS 5 HD2 HIS 5 8.113 0.828 11.236 45 HE1 HIS 5 HE1 HIS 5 9.520 3.001 14.596 46 HE2 HIS 5 HE2 HIS 5 9.773 0.909 13.216 47 H LYS 6 HN LYS 6 5.061 6.076 10.814 48 HA LYS 6 HA LYS 6 3.167 5.390 8.708 49 HB2 LYS 6 HB2 LYS 6 3.041 7.276 11.060 50 HB3 LYS 6 HB1 LYS 6 1.819 7.284 9.796 51 HG2 LYS 6 HG2 LYS 6 1.076 5.980 11.691 52 HG3 LYS 6 HG1 LYS 6 1.302 4.942 10.283 53 HD2 LYS 6 HD2 LYS 6 3.454 4.206 11.154 54 HD3 LYS 6 HD1 LYS 6 3.276 5.283 12.540 55 HE2 LYS 6 HE2 LYS 6 1.470 2.967 11.855 56 HE3 LYS 6 HE1 LYS 6 2.705 2.974 13.113 57 HZ1 LYS 6 HZ1 LYS 6 0.303 4.719 13.029 58 HZ2 LYS 6 HZ2 LYS 6 1.494 4.750 14.229 59 HZ3 LYS 6 HZ3 LYS 6 0.521 3.380 14.040 60 H ALA 7 HN ALA 7 5.877 7.183 9.095 61 HA ALA 7 HA ALA 7 5.244 9.544 7.651 62 HB1 ALA 7 HB1 ALA 7 7.945 8.209 7.899 63 HB2 ALA 7 HB2 ALA 7 7.270 9.314 9.094 64 HB3 ALA 7 HB3 ALA 7 7.626 9.887 7.468 65 H VAL 8 HN VAL 8 6.630 6.393 6.876 66 HA VAL 8 HA VAL 8 6.657 6.953 4.066 67 HB VAL 8 HB VAL 8 6.810 4.171 5.191 68 HG11 VAL 8 HG11 VAL 8 8.105 5.534 2.827 69 HG12 VAL 8 HG12 VAL 8 6.730 4.432 2.766 70 HG13 VAL 8 HG13 VAL 8 8.311 3.841 3.274 71 HG21 VAL 8 HG21 VAL 8 9.262 4.500 5.421 72 HG22 VAL 8 HG22 VAL 8 8.328 5.452 6.574 73 HG23 VAL 8 HG23 VAL 8 9.024 6.227 5.151 74 H CYS 9 HN CYS 9 4.391 5.779 6.413 75 HA CYS 9 HA CYS 9 2.570 4.324 4.919 76 HB2 CYS 9 HB2 CYS 9 2.399 6.065 7.273 77 HB3 CYS 9 HB1 CYS 9 0.917 6.028 6.349 78 H ARG 10 HN ARG 10 2.176 7.768 5.600 79 HA ARG 10 HA ARG 10 0.419 8.227 3.419 80 HB2 ARG 10 HB2 ARG 10 0.305 9.527 5.487 81 HB3 ARG 10 HB1 ARG 10 1.900 10.196 5.165 82 HG2 ARG 10 HG2 ARG 10 0.150 11.784 4.603 83 HG3 ARG 10 HG1 ARG 10 1.046 11.296 3.164 84 HD2 ARG 10 HD2 ARG 10 -1.352 11.370 2.723 85 HD3 ARG 10 HD1 ARG 10 -0.729 9.727 2.580 86 HE ARG 10 HE ARG 10 -1.673 10.103 5.190 87 HH11 ARG 10 HH11 ARG 10 -2.897 9.879 1.930 88 HH12 ARG 10 HH12 ARG 10 -4.433 9.247 2.417 89 HH21 ARG 10 HH21 ARG 10 -3.693 9.271 5.833 90 HH22 ARG 10 HH22 ARG 10 -4.886 8.901 4.632 91 H ASP 11 HN ASP 11 3.844 8.299 3.692 92 HA ASP 11 HA ASP 11 4.236 10.058 1.436 93 HB2 ASP 11 HB2 ASP 11 6.119 8.504 3.188 94 HB3 ASP 11 HB1 ASP 11 6.676 9.339 1.743 95 H GLU 12 HN GLU 12 2.991 7.147 1.379 96 HA GLU 12 HA GLU 12 4.731 5.847 -0.509 97 HB2 GLU 12 HB2 GLU 12 2.807 5.012 1.290 98 HB3 GLU 12 HB1 GLU 12 1.990 4.822 -0.248 99 HG2 GLU 12 HG2 GLU 12 2.995 2.763 0.098 100 HG3 GLU 12 HG1 GLU 12 4.116 3.584 -0.986 101 H ASP 13 HN ASP 13 2.090 4.974 -1.991 102 HA ASP 13 HA ASP 13 2.145 7.274 -3.810 103 HB2 ASP 13 HB2 ASP 13 2.894 5.188 -4.861 104 HB3 ASP 13 HB1 ASP 13 1.396 4.386 -4.409 105 HA PRO 14 HA PRO 14 -1.986 8.231 -2.397 106 HB2 PRO 14 HB2 PRO 14 -2.652 9.630 -4.736 107 HB3 PRO 14 HB1 PRO 14 -1.958 10.332 -3.272 108 HG2 PRO 14 HG2 PRO 14 -0.618 9.522 -5.806 109 HG3 PRO 14 HG1 PRO 14 -0.255 10.879 -4.724 110 HD2 PRO 14 HD2 PRO 14 1.271 8.679 -4.763 111 HD3 PRO 14 HD1 PRO 14 0.937 9.541 -3.246 112 H GLU 15 HN GLU 15 -1.061 6.769 -5.410 113 HA GLU 15 HA GLU 15 -3.638 6.008 -6.283 114 HB2 GLU 15 HB2 GLU 15 -0.953 4.741 -6.943 115 HB3 GLU 15 HB1 GLU 15 -2.451 4.540 -7.842 116 HG2 GLU 15 HG2 GLU 15 -2.454 7.000 -8.257 117 HG3 GLU 15 HG1 GLU 15 -0.849 7.061 -7.532 118 H LEU 16 HN LEU 16 -1.533 4.790 -3.839 119 HA LEU 16 HA LEU 16 -2.669 2.147 -3.781 120 HB2 LEU 16 HB2 LEU 16 -1.079 3.500 -1.597 121 HB3 LEU 16 HB1 LEU 16 -1.336 1.778 -1.807 122 HG LEU 16 HG LEU 16 0.647 3.538 -3.051 123 HD11 LEU 16 HD11 LEU 16 1.786 1.317 -3.425 124 HD12 LEU 16 HD12 LEU 16 0.417 0.577 -2.581 125 HD13 LEU 16 HD13 LEU 16 1.447 1.729 -1.735 126 HD21 LEU 16 HD21 LEU 16 0.635 2.017 -5.100 127 HD22 LEU 16 HD22 LEU 16 -0.511 3.357 -5.053 128 HD23 LEU 16 HD23 LEU 16 -1.047 1.722 -4.691 129 H PHE 17 HN PHE 17 -3.525 5.213 -2.547 130 HA PHE 17 HA PHE 17 -5.469 4.016 -0.703 131 HB2 PHE 17 HB2 PHE 17 -4.567 6.893 -0.980 132 HB3 PHE 17 HB1 PHE 17 -5.727 6.299 0.203 133 HD1 PHE 17 HD1 PHE 17 -5.007 5.001 2.111 134 HD2 PHE 17 HD2 PHE 17 -2.206 6.435 -0.753 135 HE1 PHE 17 HE1 PHE 17 -3.170 4.520 3.674 136 HE2 PHE 17 HE2 PHE 17 -0.362 5.958 0.805 137 HZ PHE 17 HZ PHE 17 -0.843 4.999 3.022 138 H PHE 18 HN PHE 18 -5.169 5.231 -3.818 139 HA PHE 18 HA PHE 18 -8.077 5.604 -4.007 140 HB2 PHE 18 HB2 PHE 18 -5.936 7.312 -5.281 141 HB3 PHE 18 HB1 PHE 18 -7.630 7.352 -5.764 142 HD1 PHE 18 HD1 PHE 18 -5.526 7.643 -2.697 143 HD2 PHE 18 HD2 PHE 18 -9.001 8.917 -4.796 144 HE1 PHE 18 HE1 PHE 18 -5.984 9.293 -0.929 145 HE2 PHE 18 HE2 PHE 18 -9.466 10.569 -3.032 146 HZ PHE 18 HZ PHE 18 -7.956 10.758 -1.096 147 HA PRO 19 HA PRO 19 -7.568 2.340 -7.021 148 HB2 PRO 19 HB2 PRO 19 -10.207 3.284 -7.984 149 HB3 PRO 19 HB1 PRO 19 -9.714 1.675 -7.452 150 HG2 PRO 19 HG2 PRO 19 -11.271 3.214 -5.923 151 HG3 PRO 19 HG1 PRO 19 -10.022 2.175 -5.213 152 HD2 PRO 19 HD2 PRO 19 -9.994 5.128 -5.679 153 HD3 PRO 19 HD1 PRO 19 -9.365 4.196 -4.304 154 H VAL 20 HN VAL 20 -6.660 2.322 -9.002 155 HA VAL 20 HA VAL 20 -6.131 4.689 -10.420 156 HB VAL 20 HB VAL 20 -5.955 1.824 -11.362 157 HG11 VAL 20 HG11 VAL 20 -5.979 3.332 -13.255 158 HG12 VAL 20 HG12 VAL 20 -4.354 2.690 -13.025 159 HG13 VAL 20 HG13 VAL 20 -4.735 4.334 -12.509 160 HG21 VAL 20 HG21 VAL 20 -4.618 2.259 -9.378 161 HG22 VAL 20 HG22 VAL 20 -3.862 3.640 -10.173 162 HG23 VAL 20 HG23 VAL 20 -3.588 2.008 -10.786 163 H GLY 21 HN GLY 21 -6.798 5.323 -12.518 164 HA2 GLY 21 HA2 GLY 21 -9.618 4.825 -12.993 165 HA3 GLY 21 HA1 GLY 21 -8.612 6.012 -13.814 166 H ASN 22 HN ASN 22 -7.723 5.508 -15.764 167 HA ASN 22 HA ASN 22 -8.101 2.749 -16.719 168 HB2 ASN 22 HB2 ASN 22 -8.464 5.302 -18.297 169 HB3 ASN 22 HB1 ASN 22 -8.579 3.673 -18.956 170 HD21 ASN 22 HD21 ASN 22 -10.700 3.961 -19.598 171 HD22 ASN 22 HD22 ASN 22 -12.009 4.014 -18.472 172 H SER 23 HN SER 23 -5.682 4.405 -15.644 173 HA SER 23 HA SER 23 -3.986 4.243 -18.031 174 HB2 SER 23 HB2 SER 23 -2.339 5.512 -16.699 175 HB3 SER 23 HB1 SER 23 -3.890 6.352 -16.805 176 HG SER 23 HG SER 23 -3.674 6.412 -14.707 177 H GLY 24 HN GLY 24 -1.945 3.259 -17.966 178 HA2 GLY 24 HA2 GLY 24 -1.864 0.866 -16.312 179 HA3 GLY 24 HA1 GLY 24 -0.841 1.203 -17.702 180 HA PRO 25 HA PRO 25 2.419 3.208 -15.408 181 HB2 PRO 25 HB2 PRO 25 1.111 5.894 -15.391 182 HB3 PRO 25 HB1 PRO 25 2.773 5.460 -15.811 183 HG2 PRO 25 HG2 PRO 25 1.009 6.015 -17.717 184 HG3 PRO 25 HG1 PRO 25 2.180 4.699 -17.923 185 HD2 PRO 25 HD2 PRO 25 -0.732 4.567 -17.302 186 HD3 PRO 25 HD1 PRO 25 0.264 3.468 -18.277 187 H ALA 26 HN ALA 26 -0.841 3.947 -14.449 188 HA ALA 26 HA ALA 26 -0.335 4.883 -11.842 189 HB1 ALA 26 HB1 ALA 26 -2.715 3.187 -12.128 190 HB2 ALA 26 HB2 ALA 26 -2.599 4.498 -13.308 191 HB3 ALA 26 HB3 ALA 26 -2.571 4.860 -11.580 192 H LEU 27 HN LEU 27 -0.558 1.707 -13.206 193 HA LEU 27 HA LEU 27 -0.563 0.251 -10.762 194 HB2 LEU 27 HB2 LEU 27 0.249 -0.508 -13.561 195 HB3 LEU 27 HB1 LEU 27 0.104 -1.646 -12.240 196 HG LEU 27 HG LEU 27 -2.154 -1.774 -12.421 197 HD11 LEU 27 HD11 LEU 27 -2.344 1.088 -13.339 198 HD12 LEU 27 HD12 LEU 27 -2.434 0.580 -11.653 199 HD13 LEU 27 HD13 LEU 27 -3.660 0.042 -12.802 200 HD21 LEU 27 HD21 LEU 27 -1.465 -2.268 -14.651 201 HD22 LEU 27 HD22 LEU 27 -1.409 -0.555 -15.066 202 HD23 LEU 27 HD23 LEU 27 -2.957 -1.332 -14.735 203 H ALA 28 HN ALA 28 1.882 1.380 -12.996 204 HA ALA 28 HA ALA 28 4.063 0.122 -11.680 205 HB1 ALA 28 HB1 ALA 28 4.054 2.541 -13.486 206 HB2 ALA 28 HB2 ALA 28 4.226 0.867 -14.009 207 HB3 ALA 28 HB3 ALA 28 5.477 1.612 -13.015 208 H GLN 29 HN GLN 29 2.353 3.126 -11.373 209 HA GLN 29 HA GLN 29 4.223 4.408 -9.611 210 HB2 GLN 29 HB2 GLN 29 2.376 5.510 -11.018 211 HB3 GLN 29 HB1 GLN 29 1.250 4.964 -9.783 212 HG2 GLN 29 HG2 GLN 29 1.932 7.298 -9.473 213 HG3 GLN 29 HG1 GLN 29 2.388 6.282 -8.110 214 HE21 GLN 29 HE21 GLN 29 4.091 6.346 -11.175 215 HE22 GLN 29 HE22 GLN 29 5.538 7.067 -10.567 216 H ILE 30 HN ILE 30 1.074 2.856 -9.144 217 HA ILE 30 HA ILE 30 1.037 2.745 -6.423 218 HB ILE 30 HB ILE 30 -0.109 0.917 -8.510 219 HG12 ILE 30 HG12 ILE 30 -1.401 2.902 -6.640 220 HG13 ILE 30 HG11 ILE 30 -1.048 3.182 -8.340 221 HG21 ILE 30 HG21 ILE 30 -0.294 -0.645 -6.949 222 HG22 ILE 30 HG22 ILE 30 -1.560 0.379 -6.266 223 HG23 ILE 30 HG23 ILE 30 0.089 0.483 -5.643 224 HD11 ILE 30 HD11 ILE 30 -2.623 1.509 -8.993 225 HD12 ILE 30 HD12 ILE 30 -3.406 2.623 -7.873 226 HD13 ILE 30 HD13 ILE 30 -2.881 1.034 -7.315 227 H ALA 31 HN ALA 31 2.448 0.512 -8.701 228 HA ALA 31 HA ALA 31 3.107 -1.561 -6.938 229 HB1 ALA 31 HB1 ALA 31 4.523 -0.748 -9.475 230 HB2 ALA 31 HB2 ALA 31 3.123 -1.815 -9.373 231 HB3 ALA 31 HB3 ALA 31 4.661 -2.307 -8.663 232 H ASP 32 HN ASP 32 4.607 1.493 -7.583 233 HA ASP 32 HA ASP 32 7.167 0.793 -6.508 234 HB2 ASP 32 HB2 ASP 32 5.925 3.479 -7.123 235 HB3 ASP 32 HB1 ASP 32 7.577 3.271 -6.549 236 H ALA 33 HN ALA 33 4.287 2.419 -5.383 237 HA ALA 33 HA ALA 33 5.350 3.062 -2.824 238 HB1 ALA 33 HB1 ALA 33 3.559 4.370 -3.307 239 HB2 ALA 33 HB2 ALA 33 2.783 3.152 -2.298 240 HB3 ALA 33 HB3 ALA 33 2.652 3.060 -4.055 241 H LYS 34 HN LYS 34 3.601 0.321 -4.155 242 HA LYS 34 HA LYS 34 3.024 -0.978 -1.727 243 HB2 LYS 34 HB2 LYS 34 2.042 -1.551 -3.965 244 HB3 LYS 34 HB1 LYS 34 3.576 -2.302 -4.386 245 HG2 LYS 34 HG2 LYS 34 3.307 -3.837 -2.467 246 HG3 LYS 34 HG1 LYS 34 1.721 -3.126 -2.164 247 HD2 LYS 34 HD2 LYS 34 1.037 -3.792 -4.449 248 HD3 LYS 34 HD1 LYS 34 2.597 -4.587 -4.650 249 HE2 LYS 34 HE2 LYS 34 0.875 -6.196 -4.035 250 HE3 LYS 34 HE1 LYS 34 2.095 -6.061 -2.770 251 HZ1 LYS 34 HZ1 LYS 34 0.610 -4.640 -1.520 252 HZ2 LYS 34 HZ2 LYS 34 -0.154 -6.107 -1.869 253 HZ3 LYS 34 HZ3 LYS 34 -0.554 -4.718 -2.746 254 H LEU 35 HN LEU 35 5.874 -1.001 -3.822 255 HA LEU 35 HA LEU 35 7.214 -3.105 -2.451 256 HB2 LEU 35 HB2 LEU 35 8.188 -0.884 -4.240 257 HB3 LEU 35 HB1 LEU 35 9.269 -2.078 -3.551 258 HG LEU 35 HG LEU 35 8.728 -3.625 -5.083 259 HD11 LEU 35 HD11 LEU 35 6.420 -4.082 -5.851 260 HD12 LEU 35 HD12 LEU 35 5.857 -2.738 -4.861 261 HD13 LEU 35 HD13 LEU 35 6.594 -4.143 -4.097 262 HD21 LEU 35 HD21 LEU 35 7.617 -2.630 -7.171 263 HD22 LEU 35 HD22 LEU 35 9.144 -1.936 -6.626 264 HD23 LEU 35 HD23 LEU 35 7.625 -1.110 -6.275 265 H VAL 36 HN VAL 36 7.298 0.414 -2.229 266 HA VAL 36 HA VAL 36 9.284 0.558 -0.215 267 HB VAL 36 HB VAL 36 7.096 2.545 -0.859 268 HG11 VAL 36 HG11 VAL 36 8.031 2.931 1.357 269 HG12 VAL 36 HG12 VAL 36 8.546 4.192 0.236 270 HG13 VAL 36 HG13 VAL 36 9.662 2.903 0.687 271 HG21 VAL 36 HG21 VAL 36 9.972 2.507 -1.766 272 HG22 VAL 36 HG22 VAL 36 8.723 3.661 -2.235 273 HG23 VAL 36 HG23 VAL 36 8.607 1.979 -2.747 274 H CYS 37 HN CYS 37 5.744 0.467 -0.093 275 HA CYS 37 HA CYS 37 5.459 0.835 2.680 276 HB2 CYS 37 HB2 CYS 37 3.569 1.057 1.154 277 HB3 CYS 37 HB1 CYS 37 3.683 -0.646 0.725 278 H ASN 38 HN ASN 38 6.145 -1.985 0.727 279 HA ASN 38 HA ASN 38 5.794 -3.845 2.903 280 HB2 ASN 38 HB2 ASN 38 7.010 -4.217 0.157 281 HB3 ASN 38 HB1 ASN 38 6.675 -5.514 1.299 282 HD21 ASN 38 HD21 ASN 38 4.177 -4.437 2.233 283 HD22 ASN 38 HD22 ASN 38 3.036 -4.638 0.954 284 H ARG 39 HN ARG 39 8.429 -2.060 1.454 285 HA ARG 39 HA ARG 39 10.397 -3.558 3.010 286 HB2 ARG 39 HB2 ARG 39 10.742 -1.351 0.976 287 HB3 ARG 39 HB1 ARG 39 12.062 -2.182 1.788 288 HG2 ARG 39 HG2 ARG 39 10.036 -3.460 -0.035 289 HG3 ARG 39 HG1 ARG 39 11.701 -3.054 -0.455 290 HD2 ARG 39 HD2 ARG 39 12.507 -4.589 1.272 291 HD3 ARG 39 HD1 ARG 39 10.843 -4.994 1.690 292 HE ARG 39 HE ARG 39 11.201 -5.482 -1.038 293 HH11 ARG 39 HH11 ARG 39 12.309 -6.717 2.033 294 HH12 ARG 39 HH12 ARG 39 12.559 -8.324 1.437 295 HH21 ARG 39 HH21 ARG 39 11.529 -7.594 -1.822 296 HH22 ARG 39 HH22 ARG 39 12.117 -8.822 -0.751 297 H CYS 40 HN CYS 40 8.418 -0.915 3.477 298 HA CYS 40 HA CYS 40 10.247 0.762 4.909 299 HB2 CYS 40 HB2 CYS 40 8.550 2.127 4.302 300 HB3 CYS 40 HB1 CYS 40 7.402 0.802 4.181 301 HA PRO 41 HA PRO 41 10.641 -0.925 8.950 302 HB2 PRO 41 HB2 PRO 41 9.131 1.539 9.766 303 HB3 PRO 41 HB1 PRO 41 10.553 0.803 10.519 304 HG2 PRO 41 HG2 PRO 41 10.817 2.910 8.922 305 HG3 PRO 41 HG1 PRO 41 11.988 1.581 8.864 306 HD2 PRO 41 HD2 PRO 41 9.886 2.328 6.916 307 HD3 PRO 41 HD1 PRO 41 11.410 1.457 6.655 308 H VAL 42 HN VAL 42 9.364 -2.691 9.128 309 HA VAL 42 HA VAL 42 6.554 -2.722 8.952 310 HB VAL 42 HB VAL 42 7.941 -4.714 8.571 311 HG11 VAL 42 HG11 VAL 42 8.368 -4.661 11.556 312 HG12 VAL 42 HG12 VAL 42 9.595 -4.378 10.322 313 HG13 VAL 42 HG13 VAL 42 8.847 -5.968 10.473 314 HG21 VAL 42 HG21 VAL 42 6.527 -6.323 9.813 315 HG22 VAL 42 HG22 VAL 42 5.600 -5.038 9.038 316 HG23 VAL 42 HG23 VAL 42 5.902 -4.982 10.774 317 H THR 43 HN THR 43 4.959 -2.592 10.443 318 HA THR 43 HA THR 43 5.707 -2.273 13.266 319 HB THR 43 HB THR 43 4.064 -0.473 13.532 320 HG1 THR 43 HG1 THR 43 3.949 -0.229 10.715 321 HG21 THR 43 HG21 THR 43 6.447 0.036 13.087 322 HG22 THR 43 HG22 THR 43 5.336 1.297 12.555 323 HG23 THR 43 HG23 THR 43 6.051 0.199 11.375 324 H THR 44 HN THR 44 3.913 -2.406 14.748 325 HA THR 44 HA THR 44 2.343 -4.681 14.438 326 HB THR 44 HB THR 44 1.855 -2.318 16.272 327 HG1 THR 44 HG1 THR 44 3.234 -4.772 16.733 328 HG21 THR 44 HG21 THR 44 -0.134 -3.661 16.157 329 HG22 THR 44 HG22 THR 44 0.678 -4.008 17.684 330 HG23 THR 44 HG23 THR 44 0.801 -5.145 16.341 331 H GLU 45 HN GLU 45 1.863 -1.378 13.472 332 HA GLU 45 HA GLU 45 -0.926 -1.303 13.201 333 HB2 GLU 45 HB2 GLU 45 0.584 0.661 12.981 334 HB3 GLU 45 HB1 GLU 45 1.142 0.032 11.437 335 HG2 GLU 45 HG2 GLU 45 -0.490 1.771 11.092 336 HG3 GLU 45 HG1 GLU 45 -1.128 0.221 10.546 337 H CYS 46 HN CYS 46 1.585 -2.305 10.924 338 HA CYS 46 HA CYS 46 -0.223 -2.912 8.809 339 HB2 CYS 46 HB2 CYS 46 2.381 -4.304 8.798 340 HB3 CYS 46 HB1 CYS 46 1.618 -3.329 7.550 341 H LEU 47 HN LEU 47 1.476 -4.924 11.217 342 HA LEU 47 HA LEU 47 0.466 -7.384 10.212 343 HB2 LEU 47 HB2 LEU 47 1.573 -6.662 12.920 344 HB3 LEU 47 HB1 LEU 47 1.132 -8.292 12.456 345 HG LEU 47 HG LEU 47 3.449 -8.206 12.173 346 HD11 LEU 47 HD11 LEU 47 2.302 -9.178 10.245 347 HD12 LEU 47 HD12 LEU 47 3.819 -8.410 9.781 348 HD13 LEU 47 HD13 LEU 47 2.287 -7.599 9.459 349 HD21 LEU 47 HD21 LEU 47 3.549 -5.715 12.358 350 HD22 LEU 47 HD22 LEU 47 3.198 -5.636 10.631 351 HD23 LEU 47 HD23 LEU 47 4.670 -6.424 11.197 352 H SER 48 HN SER 48 -0.527 -5.328 12.915 353 HA SER 48 HA SER 48 -2.592 -6.964 13.854 354 HB2 SER 48 HB2 SER 48 -2.234 -3.976 14.058 355 HB3 SER 48 HB1 SER 48 -3.454 -4.888 14.948 356 HG SER 48 HG SER 48 -0.700 -5.515 15.080 357 H TRP 49 HN TRP 49 -2.606 -4.443 11.421 358 HA TRP 49 HA TRP 49 -5.427 -4.387 11.105 359 HB2 TRP 49 HB2 TRP 49 -3.720 -2.619 10.343 360 HB3 TRP 49 HB1 TRP 49 -3.483 -3.644 8.930 361 HD1 TRP 49 HD1 TRP 49 -5.665 -3.984 7.307 362 HE1 TRP 49 HE1 TRP 49 -7.656 -2.417 6.856 363 HE3 TRP 49 HE3 TRP 49 -5.206 -0.900 11.358 364 HZ2 TRP 49 HZ2 TRP 49 -8.871 -0.171 8.058 365 HZ3 TRP 49 HZ3 TRP 49 -6.824 0.933 11.634 366 HH2 TRP 49 HH2 TRP 49 -8.619 1.289 10.018 367 H ALA 50 HN ALA 50 -2.832 -6.046 9.337 368 HA ALA 50 HA ALA 50 -4.478 -7.254 7.403 369 HB1 ALA 50 HB1 ALA 50 -1.777 -7.971 8.502 370 HB2 ALA 50 HB2 ALA 50 -2.176 -7.238 6.947 371 HB3 ALA 50 HB3 ALA 50 -2.568 -8.930 7.253 372 H LEU 51 HN LEU 51 -3.487 -8.270 10.631 373 HA LEU 51 HA LEU 51 -4.603 -10.872 10.469 374 HB2 LEU 51 HB2 LEU 51 -3.845 -9.157 12.825 375 HB3 LEU 51 HB1 LEU 51 -4.417 -10.808 12.980 376 HG LEU 51 HG LEU 51 -1.914 -9.957 11.520 377 HD11 LEU 51 HD11 LEU 51 -2.275 -11.355 14.166 378 HD12 LEU 51 HD12 LEU 51 -1.708 -9.701 13.933 379 HD13 LEU 51 HD13 LEU 51 -0.737 -11.056 13.358 380 HD21 LEU 51 HD21 LEU 51 -2.917 -11.933 10.523 381 HD22 LEU 51 HD22 LEU 51 -3.029 -12.696 12.109 382 HD23 LEU 51 HD23 LEU 51 -1.448 -12.361 11.401 383 H ASN 52 HN ASN 52 -5.849 -7.761 11.395 384 HA ASN 52 HA ASN 52 -8.215 -8.708 12.642 385 HB2 ASN 52 HB2 ASN 52 -7.537 -6.018 11.454 386 HB3 ASN 52 HB1 ASN 52 -9.019 -6.351 12.344 387 HD21 ASN 52 HD21 ASN 52 -6.854 -4.494 12.936 388 HD22 ASN 52 HD22 ASN 52 -6.272 -4.923 14.505 389 H THR 53 HN THR 53 -7.375 -7.868 9.365 390 HA THR 53 HA THR 53 -10.129 -8.447 8.506 391 HB THR 53 HB THR 53 -9.627 -7.339 6.432 392 HG1 THR 53 HG1 THR 53 -7.620 -6.977 5.777 393 HG21 THR 53 HG21 THR 53 -8.535 -5.790 8.781 394 HG22 THR 53 HG22 THR 53 -10.222 -5.872 8.272 395 HG23 THR 53 HG23 THR 53 -9.026 -5.082 7.242 396 H GLY 54 HN GLY 54 -7.226 -10.000 8.856 397 HA2 GLY 54 HA2 GLY 54 -6.440 -12.018 8.092 398 HA3 GLY 54 HA1 GLY 54 -8.047 -12.294 7.440 399 H GLN 55 HN GLN 55 -6.205 -9.511 6.442 400 HA GLN 55 HA GLN 55 -5.833 -10.791 3.811 401 HB2 GLN 55 HB2 GLN 55 -6.292 -7.870 4.443 402 HB3 GLN 55 HB1 GLN 55 -6.008 -8.530 2.839 403 HG2 GLN 55 HG2 GLN 55 -8.350 -9.161 4.621 404 HG3 GLN 55 HG1 GLN 55 -8.368 -8.095 3.216 405 HE21 GLN 55 HE21 GLN 55 -9.905 -10.519 3.751 406 HE22 GLN 55 HE22 GLN 55 -9.564 -11.597 2.446 407 H ASP 56 HN ASP 56 -3.898 -10.533 2.735 408 HA ASP 56 HA ASP 56 -1.576 -10.267 4.272 409 HB2 ASP 56 HB2 ASP 56 -1.897 -10.026 1.274 410 HB3 ASP 56 HB1 ASP 56 -0.370 -10.271 2.116 411 H SER 57 HN SER 57 -3.569 -7.896 2.810 412 HA SER 57 HA SER 57 -1.624 -5.821 3.546 413 HB2 SER 57 HB2 SER 57 -3.368 -5.794 1.071 414 HB3 SER 57 HB1 SER 57 -2.280 -4.505 1.579 415 HG SER 57 HG SER 57 -1.419 -7.151 1.050 416 H GLY 58 HN GLY 58 -2.498 -3.903 4.370 417 HA2 GLY 58 HA2 GLY 58 -5.385 -4.036 4.994 418 HA3 GLY 58 HA1 GLY 58 -4.183 -3.462 6.138 419 H VAL 59 HN VAL 59 -6.475 -2.010 5.332 420 HA VAL 59 HA VAL 59 -5.977 -0.128 3.309 421 HB VAL 59 HB VAL 59 -7.633 0.283 5.803 422 HG11 VAL 59 HG11 VAL 59 -8.877 1.887 4.427 423 HG12 VAL 59 HG12 VAL 59 -7.746 1.618 3.101 424 HG13 VAL 59 HG13 VAL 59 -7.184 2.351 4.603 425 HG21 VAL 59 HG21 VAL 59 -9.529 -0.480 4.432 426 HG22 VAL 59 HG22 VAL 59 -8.322 -1.745 4.664 427 HG23 VAL 59 HG23 VAL 59 -8.408 -0.880 3.130 428 H TRP 60 HN TRP 60 -5.699 0.297 6.847 429 HA TRP 60 HA TRP 60 -4.174 2.726 6.489 430 HB2 TRP 60 HB2 TRP 60 -5.034 1.195 8.947 431 HB3 TRP 60 HB1 TRP 60 -4.078 2.672 9.013 432 HD1 TRP 60 HD1 TRP 60 -7.442 1.618 7.357 433 HE1 TRP 60 HE1 TRP 60 -9.107 3.555 7.668 434 HE3 TRP 60 HE3 TRP 60 -4.401 4.918 9.808 435 HZ2 TRP 60 HZ2 TRP 60 -9.130 6.140 8.803 436 HZ3 TRP 60 HZ3 TRP 60 -5.322 7.102 10.470 437 HH2 TRP 60 HH2 TRP 60 -7.637 7.699 9.976 438 H GLY 61 HN GLY 61 -3.549 -0.362 8.182 439 HA2 GLY 61 HA2 GLY 61 -0.819 0.056 8.606 440 HA3 GLY 61 HA1 GLY 61 -1.594 -1.519 8.524 441 H GLY 62 HN GLY 62 -1.569 -2.681 6.588 442 HA2 GLY 62 HA2 GLY 62 0.686 -2.250 4.930 443 HA3 GLY 62 HA1 GLY 62 -0.594 -3.420 4.639 444 H MET 63 HN MET 63 -1.658 -3.131 2.797 445 HA MET 63 HA MET 63 -2.217 -0.399 1.914 446 HB2 MET 63 HB2 MET 63 -0.295 -2.066 0.708 447 HB3 MET 63 HB1 MET 63 -1.675 -2.040 -0.381 448 HG2 MET 63 HG2 MET 63 -0.037 -0.288 -0.891 449 HG3 MET 63 HG1 MET 63 -1.616 0.370 -0.467 450 HE1 MET 63 HE1 MET 63 0.174 3.236 1.214 451 HE2 MET 63 HE2 MET 63 -1.225 2.682 0.294 452 HE3 MET 63 HE3 MET 63 0.388 2.584 -0.409 453 H SER 64 HN SER 64 -3.857 -0.388 0.081 454 HA SER 64 HA SER 64 -6.064 -2.031 0.905 455 HB2 SER 64 HB2 SER 64 -7.400 -0.601 -0.564 456 HB3 SER 64 HB1 SER 64 -6.382 0.369 0.498 457 HG SER 64 HG SER 64 -6.246 1.164 -1.599 458 H GLU 65 HN GLU 65 -7.512 -2.942 -0.691 459 HA GLU 65 HA GLU 65 -6.230 -4.900 -2.267 460 HB2 GLU 65 HB2 GLU 65 -8.497 -5.511 -2.999 461 HB3 GLU 65 HB1 GLU 65 -8.413 -5.298 -1.256 462 HG2 GLU 65 HG2 GLU 65 -9.401 -3.077 -1.477 463 HG3 GLU 65 HG1 GLU 65 -9.485 -3.290 -3.225 464 H ASP 66 HN ASP 66 -7.564 -1.751 -2.977 465 HA ASP 66 HA ASP 66 -7.771 -1.980 -5.762 466 HB2 ASP 66 HB2 ASP 66 -7.215 0.455 -4.064 467 HB3 ASP 66 HB1 ASP 66 -7.647 0.506 -5.770 468 H GLU 67 HN GLU 67 -5.105 -0.989 -3.702 469 HA GLU 67 HA GLU 67 -3.340 -0.364 -5.840 470 HB2 GLU 67 HB2 GLU 67 -1.691 -0.030 -4.227 471 HB3 GLU 67 HB1 GLU 67 -3.170 0.326 -3.351 472 HG2 GLU 67 HG2 GLU 67 -2.122 -0.976 -1.828 473 HG3 GLU 67 HG1 GLU 67 -3.000 -2.214 -2.712 474 H ARG 68 HN ARG 68 -4.019 -3.256 -3.950 475 HA ARG 68 HA ARG 68 -1.926 -4.867 -4.910 476 HB2 ARG 68 HB2 ARG 68 -3.320 -5.507 -2.991 477 HB3 ARG 68 HB1 ARG 68 -4.715 -5.671 -4.047 478 HG2 ARG 68 HG2 ARG 68 -3.611 -7.502 -5.227 479 HG3 ARG 68 HG1 ARG 68 -2.207 -7.335 -4.171 480 HD2 ARG 68 HD2 ARG 68 -3.606 -7.862 -2.234 481 HD3 ARG 68 HD1 ARG 68 -5.009 -8.026 -3.289 482 HE ARG 68 HE ARG 68 -3.006 -9.750 -4.207 483 HH11 ARG 68 HH11 ARG 68 -5.126 -9.375 -1.461 484 HH12 ARG 68 HH12 ARG 68 -5.188 -11.072 -1.119 485 HH21 ARG 68 HH21 ARG 68 -3.085 -11.982 -3.760 486 HH22 ARG 68 HH22 ARG 68 -4.029 -12.551 -2.423 487 H ARG 69 HN ARG 69 -5.079 -4.042 -6.184 488 HA ARG 69 HA ARG 69 -5.112 -5.884 -8.335 489 HB2 ARG 69 HB2 ARG 69 -7.145 -4.766 -7.537 490 HB3 ARG 69 HB1 ARG 69 -6.501 -3.211 -8.043 491 HG2 ARG 69 HG2 ARG 69 -6.525 -3.958 -10.371 492 HG3 ARG 69 HG1 ARG 69 -7.177 -5.517 -9.858 493 HD2 ARG 69 HD2 ARG 69 -8.501 -2.831 -9.489 494 HD3 ARG 69 HD1 ARG 69 -8.940 -4.042 -10.693 495 HE ARG 69 HE ARG 69 -9.063 -5.234 -8.168 496 HH11 ARG 69 HH11 ARG 69 -10.708 -2.763 -10.002 497 HH12 ARG 69 HH12 ARG 69 -12.223 -2.999 -9.198 498 HH21 ARG 69 HH21 ARG 69 -11.054 -5.548 -7.110 499 HH22 ARG 69 HH22 ARG 69 -12.420 -4.579 -7.555 500 H ALA 70 HN ALA 70 -3.895 -2.612 -7.933 501 HA ALA 70 HA ALA 70 -3.310 -1.999 -10.600 502 HB1 ALA 70 HB1 ALA 70 -3.248 -0.505 -8.517 503 HB2 ALA 70 HB2 ALA 70 -2.054 -0.223 -9.781 504 HB3 ALA 70 HB3 ALA 70 -1.599 -1.097 -8.320 505 H LEU 71 HN LEU 71 -1.409 -3.635 -8.133 506 HA LEU 71 HA LEU 71 0.924 -3.937 -9.738 507 HB2 LEU 71 HB2 LEU 71 1.132 -4.039 -7.347 508 HB3 LEU 71 HB1 LEU 71 0.006 -5.381 -7.256 509 HG LEU 71 HG LEU 71 1.598 -6.856 -8.337 510 HD11 LEU 71 HD11 LEU 71 3.851 -6.098 -8.906 511 HD12 LEU 71 HD12 LEU 71 3.404 -4.446 -8.483 512 HD13 LEU 71 HD13 LEU 71 2.627 -5.248 -9.848 513 HD21 LEU 71 HD21 LEU 71 1.722 -6.273 -5.835 514 HD22 LEU 71 HD22 LEU 71 3.181 -5.380 -6.266 515 HD23 LEU 71 HD23 LEU 71 3.088 -7.115 -6.568 516 H LYS 72 HN LYS 72 -1.762 -6.106 -8.913 517 HA LYS 72 HA LYS 72 -0.821 -8.327 -10.370 518 HB2 LYS 72 HB2 LYS 72 -2.541 -8.524 -8.635 519 HB3 LYS 72 HB1 LYS 72 -3.652 -7.585 -9.622 520 HG2 LYS 72 HG2 LYS 72 -3.650 -9.337 -11.314 521 HG3 LYS 72 HG1 LYS 72 -2.510 -10.275 -10.349 522 HD2 LYS 72 HD2 LYS 72 -4.785 -11.094 -10.041 523 HD3 LYS 72 HD1 LYS 72 -4.156 -10.410 -8.540 524 HE2 LYS 72 HE2 LYS 72 -5.371 -8.337 -8.969 525 HE3 LYS 72 HE1 LYS 72 -5.983 -9.001 -10.484 526 HZ1 LYS 72 HZ1 LYS 72 -7.130 -10.717 -9.226 527 HZ2 LYS 72 HZ2 LYS 72 -7.617 -9.179 -8.717 528 HZ3 LYS 72 HZ3 LYS 72 -6.541 -10.080 -7.773 529 H ARG 73 HN ARG 73 -2.627 -5.507 -11.263 530 HA ARG 73 HA ARG 73 -3.528 -6.459 -13.791 531 HB2 ARG 73 HB2 ARG 73 -4.627 -4.594 -12.632 532 HB3 ARG 73 HB1 ARG 73 -3.169 -3.625 -12.800 533 HG2 ARG 73 HG2 ARG 73 -3.408 -3.599 -15.199 534 HG3 ARG 73 HG1 ARG 73 -4.793 -4.689 -15.101 535 HD2 ARG 73 HD2 ARG 73 -6.045 -3.000 -13.864 536 HD3 ARG 73 HD1 ARG 73 -4.656 -1.919 -13.917 537 HE ARG 73 HE ARG 73 -5.108 -1.464 -16.140 538 HH11 ARG 73 HH11 ARG 73 -7.204 -4.010 -14.987 539 HH12 ARG 73 HH12 ARG 73 -8.272 -3.913 -16.345 540 HH21 ARG 73 HH21 ARG 73 -6.512 -1.343 -17.926 541 HH22 ARG 73 HH22 ARG 73 -7.879 -2.402 -18.014 542 H ARG 74 HN ARG 74 -0.653 -4.797 -12.658 543 HA ARG 74 HA ARG 74 0.352 -4.149 -15.244 544 HB2 ARG 74 HB2 ARG 74 1.099 -2.925 -13.281 545 HB3 ARG 74 HB1 ARG 74 1.756 -4.394 -12.577 546 HG2 ARG 74 HG2 ARG 74 3.565 -3.124 -13.454 547 HG3 ARG 74 HG1 ARG 74 3.334 -4.526 -14.500 548 HD2 ARG 74 HD2 ARG 74 2.173 -1.806 -15.076 549 HD3 ARG 74 HD1 ARG 74 3.735 -2.346 -15.688 550 HE ARG 74 HE ARG 74 1.951 -4.293 -16.434 551 HH11 ARG 74 HH11 ARG 74 2.274 -0.860 -16.964 552 HH12 ARG 74 HH12 ARG 74 1.502 -0.900 -18.513 553 HH21 ARG 74 HH21 ARG 74 0.936 -4.349 -18.471 554 HH22 ARG 74 HH22 ARG 74 0.742 -2.880 -19.369 555 H ASN 75 HN ASN 75 0.917 -6.802 -12.969 556 HA ASN 75 HA ASN 75 2.889 -8.087 -14.577 557 HB2 ASN 75 HB2 ASN 75 1.195 -9.119 -12.293 558 HB3 ASN 75 HB1 ASN 75 2.512 -10.021 -13.036 559 HD21 ASN 75 HD21 ASN 75 2.195 -9.083 -10.295 560 HD22 ASN 75 HD22 ASN 75 3.571 -8.092 -9.967 561 H ALA 76 HN ALA 76 -0.598 -8.440 -14.177 562 HA ALA 76 HA ALA 76 -2.179 -9.520 -15.405 563 HB1 ALA 76 HB1 ALA 76 -1.211 -8.230 -17.247 564 HB2 ALA 76 HB2 ALA 76 -1.777 -9.810 -17.789 565 HB3 ALA 76 HB3 ALA 76 -0.054 -9.528 -17.545 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 9.316 7.993 16.104 2 H2 MET 1 HT2 MET 1 10.756 7.383 16.745 3 H3 MET 1 HT3 MET 1 9.275 6.735 17.236 4 HA MET 1 HA MET 1 10.528 6.530 14.563 5 HB2 MET 1 HB2 MET 1 9.789 4.434 16.616 6 HB3 MET 1 HB1 MET 1 10.473 4.108 15.029 7 HG2 MET 1 HG2 MET 1 11.812 5.630 17.254 8 HG3 MET 1 HG1 MET 1 12.161 3.972 16.769 9 HE1 MET 1 HE1 MET 1 11.918 4.229 13.581 10 HE2 MET 1 HE2 MET 1 13.194 3.321 14.393 11 HE3 MET 1 HE3 MET 1 13.607 4.507 13.153 12 H ASP 2 HN ASP 2 7.598 6.310 16.448 13 HA ASP 2 HA ASP 2 6.000 4.836 14.697 14 HB2 ASP 2 HB2 ASP 2 4.087 5.924 15.812 15 HB3 ASP 2 HB1 ASP 2 5.290 5.366 16.970 16 H TRP 3 HN TRP 3 6.554 8.344 14.874 17 HA TRP 3 HA TRP 3 4.801 9.051 12.803 18 HB2 TRP 3 HB2 TRP 3 6.125 11.155 12.662 19 HB3 TRP 3 HB1 TRP 3 5.624 10.746 14.296 20 HD1 TRP 3 HD1 TRP 3 8.243 8.525 14.370 21 HE1 TRP 3 HE1 TRP 3 10.486 9.536 15.022 22 HE3 TRP 3 HE3 TRP 3 7.216 13.444 13.425 23 HZ2 TRP 3 HZ2 TRP 3 11.703 12.087 15.124 24 HZ3 TRP 3 HZ3 TRP 3 8.983 15.108 13.827 25 HH2 TRP 3 HH2 TRP 3 11.180 14.442 14.659 26 H ARG 4 HN ARG 4 8.041 7.772 12.731 27 HA ARG 4 HA ARG 4 8.619 8.471 10.031 28 HB2 ARG 4 HB2 ARG 4 10.396 7.929 11.635 29 HB3 ARG 4 HB1 ARG 4 9.779 6.288 11.775 30 HG2 ARG 4 HG2 ARG 4 11.731 6.370 10.335 31 HG3 ARG 4 HG1 ARG 4 10.299 5.881 9.427 32 HD2 ARG 4 HD2 ARG 4 10.057 8.167 8.587 33 HD3 ARG 4 HD1 ARG 4 11.487 8.654 9.496 34 HE ARG 4 HE ARG 4 12.182 6.511 7.838 35 HH11 ARG 4 HH11 ARG 4 11.207 9.853 7.578 36 HH12 ARG 4 HH12 ARG 4 12.059 10.115 6.093 37 HH21 ARG 4 HH21 ARG 4 13.304 6.857 5.886 38 HH22 ARG 4 HH22 ARG 4 13.249 8.415 5.133 39 H HIS 5 HN HIS 5 7.254 5.644 11.634 40 HA HIS 5 HA HIS 5 7.136 3.957 9.382 41 HB2 HIS 5 HB2 HIS 5 5.323 4.024 11.809 42 HB3 HIS 5 HB1 HIS 5 5.491 2.677 10.687 43 HD1 HIS 5 HD1 HIS 5 6.119 2.529 13.777 44 HD2 HIS 5 HD2 HIS 5 8.921 3.014 10.748 45 HE1 HIS 5 HE1 HIS 5 8.295 1.713 14.737 46 HE2 HIS 5 HE2 HIS 5 9.956 1.933 12.856 47 H LYS 6 HN LYS 6 5.004 6.450 10.633 48 HA LYS 6 HA LYS 6 3.046 5.875 8.556 49 HB2 LYS 6 HB2 LYS 6 3.046 7.975 10.738 50 HB3 LYS 6 HB1 LYS 6 1.720 7.675 9.625 51 HG2 LYS 6 HG2 LYS 6 1.454 5.428 10.534 52 HG3 LYS 6 HG1 LYS 6 2.796 5.715 11.643 53 HD2 LYS 6 HD2 LYS 6 1.548 7.536 12.689 54 HD3 LYS 6 HD1 LYS 6 0.213 7.275 11.567 55 HE2 LYS 6 HE2 LYS 6 -0.101 5.023 12.458 56 HE3 LYS 6 HE1 LYS 6 1.246 5.269 13.568 57 HZ1 LYS 6 HZ1 LYS 6 -0.875 5.618 14.664 58 HZ2 LYS 6 HZ2 LYS 6 -1.284 6.823 13.550 59 HZ3 LYS 6 HZ3 LYS 6 0.007 7.061 14.615 60 H ALA 7 HN ALA 7 5.874 7.499 8.912 61 HA ALA 7 HA ALA 7 5.384 9.875 7.436 62 HB1 ALA 7 HB1 ALA 7 7.375 9.528 8.916 63 HB2 ALA 7 HB2 ALA 7 7.773 10.102 7.298 64 HB3 ALA 7 HB3 ALA 7 8.009 8.407 7.713 65 H VAL 8 HN VAL 8 6.619 6.649 6.697 66 HA VAL 8 HA VAL 8 6.739 7.183 3.889 67 HB VAL 8 HB VAL 8 6.668 4.407 5.045 68 HG11 VAL 8 HG11 VAL 8 8.176 3.946 3.162 69 HG12 VAL 8 HG12 VAL 8 8.098 5.643 2.689 70 HG13 VAL 8 HG13 VAL 8 6.649 4.640 2.616 71 HG21 VAL 8 HG21 VAL 8 9.135 4.569 5.311 72 HG22 VAL 8 HG22 VAL 8 8.247 5.591 6.440 73 HG23 VAL 8 HG23 VAL 8 9.019 6.306 5.024 74 H CYS 9 HN CYS 9 4.366 6.171 6.191 75 HA CYS 9 HA CYS 9 2.479 4.848 4.650 76 HB2 CYS 9 HB2 CYS 9 2.488 6.310 7.117 77 HB3 CYS 9 HB1 CYS 9 1.056 6.747 6.212 78 H ARG 10 HN ARG 10 2.237 8.282 5.445 79 HA ARG 10 HA ARG 10 0.491 8.914 3.325 80 HB2 ARG 10 HB2 ARG 10 2.230 10.739 4.988 81 HB3 ARG 10 HB1 ARG 10 0.904 11.262 3.958 82 HG2 ARG 10 HG2 ARG 10 -0.667 9.989 5.331 83 HG3 ARG 10 HG1 ARG 10 0.665 9.470 6.366 84 HD2 ARG 10 HD2 ARG 10 -0.541 11.341 7.362 85 HD3 ARG 10 HD1 ARG 10 1.115 11.794 6.962 86 HE ARG 10 HE ARG 10 -0.522 12.482 4.806 87 HH11 ARG 10 HH11 ARG 10 -0.012 13.407 8.132 88 HH12 ARG 10 HH12 ARG 10 -0.527 15.042 7.888 89 HH21 ARG 10 HH21 ARG 10 -1.200 14.632 4.482 90 HH22 ARG 10 HH22 ARG 10 -1.202 15.738 5.816 91 H ASP 11 HN ASP 11 3.908 8.665 3.464 92 HA ASP 11 HA ASP 11 4.388 10.346 1.167 93 HB2 ASP 11 HB2 ASP 11 6.159 8.629 2.884 94 HB3 ASP 11 HB1 ASP 11 6.752 9.381 1.408 95 H GLU 12 HN GLU 12 2.845 7.580 1.208 96 HA GLU 12 HA GLU 12 4.369 6.054 -0.696 97 HB2 GLU 12 HB2 GLU 12 2.535 4.479 -0.574 98 HB3 GLU 12 HB1 GLU 12 2.935 5.008 1.050 99 HG2 GLU 12 HG2 GLU 12 1.041 6.623 0.915 100 HG3 GLU 12 HG1 GLU 12 0.595 5.891 -0.622 101 H ASP 13 HN ASP 13 1.692 5.365 -2.059 102 HA ASP 13 HA ASP 13 1.747 7.632 -3.927 103 HB2 ASP 13 HB2 ASP 13 2.613 5.445 -4.843 104 HB3 ASP 13 HB1 ASP 13 0.997 4.772 -4.646 105 HA PRO 14 HA PRO 14 -2.409 8.454 -2.572 106 HB2 PRO 14 HB2 PRO 14 -3.145 9.740 -4.955 107 HB3 PRO 14 HB1 PRO 14 -2.477 10.514 -3.517 108 HG2 PRO 14 HG2 PRO 14 -1.118 9.693 -6.033 109 HG3 PRO 14 HG1 PRO 14 -0.796 11.082 -4.981 110 HD2 PRO 14 HD2 PRO 14 0.799 8.926 -4.993 111 HD3 PRO 14 HD1 PRO 14 0.463 9.824 -3.496 112 H GLU 15 HN GLU 15 -1.512 6.868 -5.543 113 HA GLU 15 HA GLU 15 -4.140 6.046 -6.264 114 HB2 GLU 15 HB2 GLU 15 -1.421 5.003 -7.111 115 HB3 GLU 15 HB1 GLU 15 -2.946 4.448 -7.781 116 HG2 GLU 15 HG2 GLU 15 -1.888 6.082 -9.228 117 HG3 GLU 15 HG1 GLU 15 -3.435 6.664 -8.619 118 H LEU 16 HN LEU 16 -1.823 4.920 -3.968 119 HA LEU 16 HA LEU 16 -2.734 2.222 -3.816 120 HB2 LEU 16 HB2 LEU 16 -1.301 3.828 -1.690 121 HB3 LEU 16 HB1 LEU 16 -1.459 2.082 -1.734 122 HG LEU 16 HG LEU 16 0.426 3.828 -3.152 123 HD11 LEU 16 HD11 LEU 16 0.408 0.903 -2.443 124 HD12 LEU 16 HD12 LEU 16 1.284 2.192 -1.619 125 HD13 LEU 16 HD13 LEU 16 1.744 1.718 -3.270 126 HD21 LEU 16 HD21 LEU 16 -0.789 3.333 -5.085 127 HD22 LEU 16 HD22 LEU 16 -1.073 1.674 -4.572 128 HD23 LEU 16 HD23 LEU 16 0.545 2.183 -5.043 129 H PHE 17 HN PHE 17 -4.086 5.147 -2.835 130 HA PHE 17 HA PHE 17 -5.820 3.826 -0.872 131 HB2 PHE 17 HB2 PHE 17 -5.416 6.771 -1.448 132 HB3 PHE 17 HB1 PHE 17 -6.493 6.116 -0.219 133 HD1 PHE 17 HD1 PHE 17 -3.034 6.797 -1.135 134 HD2 PHE 17 HD2 PHE 17 -5.605 5.111 1.806 135 HE1 PHE 17 HE1 PHE 17 -1.179 6.802 0.483 136 HE2 PHE 17 HE2 PHE 17 -3.756 5.114 3.431 137 HZ PHE 17 HZ PHE 17 -1.539 5.960 2.769 138 H PHE 18 HN PHE 18 -5.691 4.728 -4.099 139 HA PHE 18 HA PHE 18 -8.622 4.600 -4.306 140 HB2 PHE 18 HB2 PHE 18 -6.792 6.464 -5.828 141 HB3 PHE 18 HB1 PHE 18 -8.495 6.217 -6.202 142 HD1 PHE 18 HD1 PHE 18 -6.296 7.143 -3.338 143 HD2 PHE 18 HD2 PHE 18 -10.041 7.652 -5.293 144 HE1 PHE 18 HE1 PHE 18 -6.900 8.893 -1.716 145 HE2 PHE 18 HE2 PHE 18 -10.652 9.403 -3.676 146 HZ PHE 18 HZ PHE 18 -9.080 10.026 -1.885 147 HA PRO 19 HA PRO 19 -7.480 1.155 -6.939 148 HB2 PRO 19 HB2 PRO 19 -10.299 1.364 -7.819 149 HB3 PRO 19 HB1 PRO 19 -9.432 -0.015 -7.136 150 HG2 PRO 19 HG2 PRO 19 -11.241 1.329 -5.700 151 HG3 PRO 19 HG1 PRO 19 -9.766 0.687 -4.956 152 HD2 PRO 19 HD2 PRO 19 -10.414 3.491 -5.766 153 HD3 PRO 19 HD1 PRO 19 -9.550 2.901 -4.330 154 H VAL 20 HN VAL 20 -6.652 1.128 -8.952 155 HA VAL 20 HA VAL 20 -7.048 3.374 -10.697 156 HB VAL 20 HB VAL 20 -5.506 0.839 -11.245 157 HG11 VAL 20 HG11 VAL 20 -4.245 2.270 -12.805 158 HG12 VAL 20 HG12 VAL 20 -5.351 3.598 -12.455 159 HG13 VAL 20 HG13 VAL 20 -5.948 2.137 -13.241 160 HG21 VAL 20 HG21 VAL 20 -4.532 3.421 -10.033 161 HG22 VAL 20 HG22 VAL 20 -3.544 2.015 -10.431 162 HG23 VAL 20 HG23 VAL 20 -4.769 1.903 -9.167 163 H GLY 21 HN GLY 21 -7.727 3.250 -12.884 164 HA2 GLY 21 HA2 GLY 21 -8.846 0.962 -14.080 165 HA3 GLY 21 HA1 GLY 21 -10.127 1.866 -13.290 166 H ASN 22 HN ASN 22 -8.064 4.234 -14.105 167 HA ASN 22 HA ASN 22 -9.198 4.508 -16.805 168 HB2 ASN 22 HB2 ASN 22 -8.771 6.685 -14.752 169 HB3 ASN 22 HB1 ASN 22 -9.333 6.939 -16.402 170 HD21 ASN 22 HD21 ASN 22 -10.136 5.724 -13.252 171 HD22 ASN 22 HD22 ASN 22 -11.838 5.591 -13.513 172 H SER 23 HN SER 23 -6.320 4.480 -14.931 173 HA SER 23 HA SER 23 -4.857 5.415 -17.300 174 HB2 SER 23 HB2 SER 23 -3.274 6.641 -15.853 175 HB3 SER 23 HB1 SER 23 -4.911 7.295 -15.742 176 HG SER 23 HG SER 23 -5.150 6.295 -13.771 177 H GLY 24 HN GLY 24 -2.718 4.684 -17.499 178 HA2 GLY 24 HA2 GLY 24 -2.258 2.081 -16.290 179 HA3 GLY 24 HA1 GLY 24 -1.351 2.785 -17.622 180 HA PRO 25 HA PRO 25 1.740 4.766 -15.088 181 HB2 PRO 25 HB2 PRO 25 0.116 7.222 -14.582 182 HB3 PRO 25 HB1 PRO 25 1.799 7.080 -15.108 183 HG2 PRO 25 HG2 PRO 25 -0.102 7.715 -16.850 184 HG3 PRO 25 HG1 PRO 25 1.211 6.612 -17.305 185 HD2 PRO 25 HD2 PRO 25 -1.632 6.008 -16.649 186 HD3 PRO 25 HD1 PRO 25 -0.555 5.223 -17.818 187 H ALA 26 HN ALA 26 -1.536 4.887 -13.923 188 HA ALA 26 HA ALA 26 -1.011 5.459 -11.218 189 HB1 ALA 26 HB1 ALA 26 -3.155 3.508 -11.698 190 HB2 ALA 26 HB2 ALA 26 -3.290 5.009 -12.620 191 HB3 ALA 26 HB3 ALA 26 -3.195 5.059 -10.857 192 H LEU 27 HN LEU 27 -0.832 2.520 -13.062 193 HA LEU 27 HA LEU 27 -0.510 0.755 -10.854 194 HB2 LEU 27 HB2 LEU 27 0.346 0.490 -13.728 195 HB3 LEU 27 HB1 LEU 27 0.365 -0.815 -12.560 196 HG LEU 27 HG LEU 27 -1.604 -1.271 -13.640 197 HD11 LEU 27 HD11 LEU 27 -1.947 -0.664 -11.160 198 HD12 LEU 27 HD12 LEU 27 -3.368 -0.842 -12.190 199 HD13 LEU 27 HD13 LEU 27 -2.768 0.766 -11.781 200 HD21 LEU 27 HD21 LEU 27 -2.238 1.664 -13.859 201 HD22 LEU 27 HD22 LEU 27 -3.067 0.325 -14.651 202 HD23 LEU 27 HD23 LEU 27 -1.413 0.732 -15.107 203 H ALA 28 HN ALA 28 1.684 2.498 -12.975 204 HA ALA 28 HA ALA 28 4.055 1.409 -11.837 205 HB1 ALA 28 HB1 ALA 28 3.677 3.986 -13.361 206 HB2 ALA 28 HB2 ALA 28 4.047 2.414 -14.071 207 HB3 ALA 28 HB3 ALA 28 5.222 3.205 -13.020 208 H GLN 29 HN GLN 29 1.997 4.124 -11.194 209 HA GLN 29 HA GLN 29 3.733 5.437 -9.321 210 HB2 GLN 29 HB2 GLN 29 0.762 5.609 -9.886 211 HB3 GLN 29 HB1 GLN 29 1.533 6.558 -8.615 212 HG2 GLN 29 HG2 GLN 29 3.041 7.530 -10.334 213 HG3 GLN 29 HG1 GLN 29 2.114 6.676 -11.565 214 HE21 GLN 29 HE21 GLN 29 -0.434 7.073 -10.203 215 HE22 GLN 29 HE22 GLN 29 -0.847 8.733 -10.430 216 H ILE 30 HN ILE 30 0.853 3.428 -9.035 217 HA ILE 30 HA ILE 30 0.842 3.087 -6.317 218 HB ILE 30 HB ILE 30 -0.110 1.319 -8.551 219 HG12 ILE 30 HG12 ILE 30 -1.535 3.094 -6.567 220 HG13 ILE 30 HG11 ILE 30 -1.356 3.369 -8.288 221 HG21 ILE 30 HG21 ILE 30 -0.124 -0.377 -7.133 222 HG22 ILE 30 HG22 ILE 30 -1.454 0.456 -6.323 223 HG23 ILE 30 HG23 ILE 30 0.199 0.668 -5.746 224 HD11 ILE 30 HD11 ILE 30 -3.581 2.598 -7.758 225 HD12 ILE 30 HD12 ILE 30 -2.918 1.150 -7.003 226 HD13 ILE 30 HD13 ILE 30 -2.729 1.406 -8.738 227 H ALA 31 HN ALA 31 2.495 1.284 -8.797 228 HA ALA 31 HA ALA 31 3.423 -0.849 -7.242 229 HB1 ALA 31 HB1 ALA 31 5.049 -1.218 -9.021 230 HB2 ALA 31 HB2 ALA 31 4.706 0.382 -9.679 231 HB3 ALA 31 HB3 ALA 31 3.457 -0.862 -9.689 232 H ASP 32 HN ASP 32 4.499 2.427 -7.532 233 HA ASP 32 HA ASP 32 7.144 1.904 -6.537 234 HB2 ASP 32 HB2 ASP 32 5.633 4.495 -6.922 235 HB3 ASP 32 HB1 ASP 32 7.294 4.405 -6.345 236 H ALA 33 HN ALA 33 4.122 3.141 -5.319 237 HA ALA 33 HA ALA 33 5.116 3.620 -2.701 238 HB1 ALA 33 HB1 ALA 33 3.255 4.851 -3.206 239 HB2 ALA 33 HB2 ALA 33 2.600 3.592 -2.166 240 HB3 ALA 33 HB3 ALA 33 2.398 3.490 -3.916 241 H LYS 34 HN LYS 34 3.607 0.856 -4.293 242 HA LYS 34 HA LYS 34 3.141 -0.609 -1.918 243 HB2 LYS 34 HB2 LYS 34 2.562 -2.428 -3.264 244 HB3 LYS 34 HB1 LYS 34 2.136 -1.029 -4.236 245 HG2 LYS 34 HG2 LYS 34 4.174 -1.291 -5.530 246 HG3 LYS 34 HG1 LYS 34 4.637 -2.672 -4.539 247 HD2 LYS 34 HD2 LYS 34 1.979 -2.713 -5.874 248 HD3 LYS 34 HD1 LYS 34 3.416 -2.983 -6.862 249 HE2 LYS 34 HE2 LYS 34 2.447 -5.085 -6.041 250 HE3 LYS 34 HE1 LYS 34 4.082 -4.828 -5.438 251 HZ1 LYS 34 HZ1 LYS 34 3.258 -4.235 -3.324 252 HZ2 LYS 34 HZ2 LYS 34 2.428 -5.640 -3.767 253 HZ3 LYS 34 HZ3 LYS 34 1.662 -4.136 -3.876 254 H LEU 35 HN LEU 35 5.977 -0.318 -4.043 255 HA LEU 35 HA LEU 35 7.372 -2.489 -2.777 256 HB2 LEU 35 HB2 LEU 35 8.214 -0.270 -4.611 257 HB3 LEU 35 HB1 LEU 35 9.421 -1.258 -3.811 258 HG LEU 35 HG LEU 35 8.902 -1.999 -6.123 259 HD11 LEU 35 HD11 LEU 35 8.647 -4.379 -5.562 260 HD12 LEU 35 HD12 LEU 35 8.203 -3.927 -3.915 261 HD13 LEU 35 HD13 LEU 35 9.818 -3.566 -4.524 262 HD21 LEU 35 HD21 LEU 35 6.780 -2.010 -6.777 263 HD22 LEU 35 HD22 LEU 35 6.216 -1.811 -5.122 264 HD23 LEU 35 HD23 LEU 35 6.531 -3.425 -5.753 265 H VAL 36 HN VAL 36 7.279 0.984 -2.410 266 HA VAL 36 HA VAL 36 9.305 1.146 -0.416 267 HB VAL 36 HB VAL 36 7.059 3.080 -1.018 268 HG11 VAL 36 HG11 VAL 36 8.016 3.387 1.229 269 HG12 VAL 36 HG12 VAL 36 8.386 4.738 0.156 270 HG13 VAL 36 HG13 VAL 36 9.621 3.531 0.511 271 HG21 VAL 36 HG21 VAL 36 8.659 2.558 -2.886 272 HG22 VAL 36 HG22 VAL 36 9.941 3.229 -1.879 273 HG23 VAL 36 HG23 VAL 36 8.602 4.251 -2.398 274 H CYS 37 HN CYS 37 5.757 1.067 -0.257 275 HA CYS 37 HA CYS 37 5.519 1.295 2.535 276 HB2 CYS 37 HB2 CYS 37 3.600 1.663 1.122 277 HB3 CYS 37 HB1 CYS 37 3.701 0.032 0.472 278 H ASN 38 HN ASN 38 6.344 -1.377 0.488 279 HA ASN 38 HA ASN 38 5.813 -3.388 2.479 280 HB2 ASN 38 HB2 ASN 38 7.143 -3.456 -0.225 281 HB3 ASN 38 HB1 ASN 38 7.068 -4.870 0.822 282 HD21 ASN 38 HD21 ASN 38 5.824 -5.976 -0.699 283 HD22 ASN 38 HD22 ASN 38 4.151 -5.619 -0.939 284 H ARG 39 HN ARG 39 8.573 -1.477 1.457 285 HA ARG 39 HA ARG 39 10.385 -3.105 3.060 286 HB2 ARG 39 HB2 ARG 39 10.911 -0.638 1.396 287 HB3 ARG 39 HB1 ARG 39 12.143 -1.595 2.206 288 HG2 ARG 39 HG2 ARG 39 11.559 -3.523 0.825 289 HG3 ARG 39 HG1 ARG 39 10.317 -2.565 0.015 290 HD2 ARG 39 HD2 ARG 39 13.279 -1.993 0.016 291 HD3 ARG 39 HD1 ARG 39 12.362 -2.690 -1.318 292 HE ARG 39 HE ARG 39 11.188 -0.250 -0.611 293 HH11 ARG 39 HH11 ARG 39 14.132 -1.464 -2.037 294 HH12 ARG 39 HH12 ARG 39 14.410 -0.039 -2.981 295 HH21 ARG 39 HH21 ARG 39 11.552 1.625 -1.852 296 HH22 ARG 39 HH22 ARG 39 12.947 1.715 -2.876 297 H CYS 40 HN CYS 40 8.311 -0.539 3.596 298 HA CYS 40 HA CYS 40 9.918 0.910 5.478 299 HB2 CYS 40 HB2 CYS 40 8.313 2.315 4.654 300 HB3 CYS 40 HB1 CYS 40 7.126 1.034 4.473 301 HA PRO 41 HA PRO 41 9.795 -1.717 9.020 302 HB2 PRO 41 HB2 PRO 41 8.960 0.795 10.409 303 HB3 PRO 41 HB1 PRO 41 10.192 -0.385 10.869 304 HG2 PRO 41 HG2 PRO 41 10.880 1.932 9.746 305 HG3 PRO 41 HG1 PRO 41 11.735 0.431 9.344 306 HD2 PRO 41 HD2 PRO 41 9.793 1.992 7.731 307 HD3 PRO 41 HD1 PRO 41 11.128 0.951 7.199 308 H VAL 42 HN VAL 42 8.188 -3.108 9.316 309 HA VAL 42 HA VAL 42 5.448 -2.490 9.016 310 HB VAL 42 HB VAL 42 6.322 -4.744 8.624 311 HG11 VAL 42 HG11 VAL 42 6.723 -4.842 11.611 312 HG12 VAL 42 HG12 VAL 42 7.992 -4.828 10.388 313 HG13 VAL 42 HG13 VAL 42 6.897 -6.205 10.507 314 HG21 VAL 42 HG21 VAL 42 3.948 -4.465 9.124 315 HG22 VAL 42 HG22 VAL 42 4.282 -4.653 10.845 316 HG23 VAL 42 HG23 VAL 42 4.549 -6.003 9.743 317 H THR 43 HN THR 43 3.865 -2.075 10.477 318 HA THR 43 HA THR 43 4.591 -1.932 13.318 319 HB THR 43 HB THR 43 3.356 0.173 13.553 320 HG1 THR 43 HG1 THR 43 3.268 0.199 10.705 321 HG21 THR 43 HG21 THR 43 5.754 0.294 13.228 322 HG22 THR 43 HG22 THR 43 4.954 1.649 12.434 323 HG23 THR 43 HG23 THR 43 5.536 0.287 11.479 324 H THR 44 HN THR 44 2.724 -1.658 14.737 325 HA THR 44 HA THR 44 0.772 -3.604 14.385 326 HB THR 44 HB THR 44 0.566 -1.128 16.120 327 HG1 THR 44 HG1 THR 44 1.776 -3.666 16.530 328 HG21 THR 44 HG21 THR 44 -0.942 -2.496 17.491 329 HG22 THR 44 HG22 THR 44 -0.807 -3.813 16.325 330 HG23 THR 44 HG23 THR 44 -1.569 -2.293 15.855 331 H GLU 45 HN GLU 45 0.969 -0.307 13.307 332 HA GLU 45 HA GLU 45 -1.743 0.260 12.875 333 HB2 GLU 45 HB2 GLU 45 0.650 1.151 11.250 334 HB3 GLU 45 HB1 GLU 45 -0.943 1.897 11.217 335 HG2 GLU 45 HG2 GLU 45 0.891 1.762 13.601 336 HG3 GLU 45 HG1 GLU 45 0.622 3.173 12.577 337 H CYS 46 HN CYS 46 0.653 -1.281 10.761 338 HA CYS 46 HA CYS 46 -1.148 -1.632 8.579 339 HB2 CYS 46 HB2 CYS 46 1.110 -3.527 8.771 340 HB3 CYS 46 HB1 CYS 46 0.608 -2.504 7.433 341 H LEU 47 HN LEU 47 0.007 -3.777 11.175 342 HA LEU 47 HA LEU 47 -1.359 -6.083 10.277 343 HB2 LEU 47 HB2 LEU 47 -0.431 -5.270 13.027 344 HB3 LEU 47 HB1 LEU 47 -1.160 -6.827 12.687 345 HG LEU 47 HG LEU 47 0.708 -7.172 10.989 346 HD11 LEU 47 HD11 LEU 47 1.804 -4.802 12.482 347 HD12 LEU 47 HD12 LEU 47 1.465 -4.908 10.754 348 HD13 LEU 47 HD13 LEU 47 2.764 -5.869 11.459 349 HD21 LEU 47 HD21 LEU 47 0.636 -8.325 13.127 350 HD22 LEU 47 HD22 LEU 47 1.390 -6.941 13.917 351 HD23 LEU 47 HD23 LEU 47 2.292 -7.874 12.723 352 H SER 48 HN SER 48 -2.220 -3.606 12.645 353 HA SER 48 HA SER 48 -4.711 -4.662 13.376 354 HB2 SER 48 HB2 SER 48 -3.606 -2.908 14.681 355 HB3 SER 48 HB1 SER 48 -3.814 -1.774 13.346 356 HG SER 48 HG SER 48 -5.689 -2.770 15.154 357 H TRP 49 HN TRP 49 -3.741 -2.578 10.756 358 HA TRP 49 HA TRP 49 -6.274 -1.773 9.865 359 HB2 TRP 49 HB2 TRP 49 -4.182 -0.754 9.057 360 HB3 TRP 49 HB1 TRP 49 -3.770 -2.253 8.231 361 HD1 TRP 49 HD1 TRP 49 -6.011 0.812 7.936 362 HE1 TRP 49 HE1 TRP 49 -7.038 0.871 5.576 363 HE3 TRP 49 HE3 TRP 49 -4.509 -3.787 6.283 364 HZ2 TRP 49 HZ2 TRP 49 -7.190 -0.811 3.313 365 HZ3 TRP 49 HZ3 TRP 49 -5.137 -4.486 4.009 366 HH2 TRP 49 HH2 TRP 49 -6.450 -3.027 2.557 367 H ALA 50 HN ALA 50 -4.282 -4.572 9.014 368 HA ALA 50 HA ALA 50 -6.011 -5.679 7.094 369 HB1 ALA 50 HB1 ALA 50 -4.771 -7.744 7.418 370 HB2 ALA 50 HB2 ALA 50 -4.091 -7.123 8.921 371 HB3 ALA 50 HB3 ALA 50 -3.668 -6.369 7.383 372 H LEU 51 HN LEU 51 -5.857 -5.979 10.598 373 HA LEU 51 HA LEU 51 -7.776 -8.044 10.832 374 HB2 LEU 51 HB2 LEU 51 -6.917 -5.951 12.821 375 HB3 LEU 51 HB1 LEU 51 -7.913 -7.341 13.208 376 HG LEU 51 HG LEU 51 -5.055 -7.425 12.239 377 HD11 LEU 51 HD11 LEU 51 -4.575 -8.283 14.475 378 HD12 LEU 51 HD12 LEU 51 -6.266 -8.059 14.926 379 HD13 LEU 51 HD13 LEU 51 -5.263 -6.660 14.540 380 HD21 LEU 51 HD21 LEU 51 -5.200 -9.831 12.658 381 HD22 LEU 51 HD22 LEU 51 -6.333 -9.324 11.406 382 HD23 LEU 51 HD23 LEU 51 -6.914 -9.662 13.037 383 H ASN 52 HN ASN 52 -7.992 -4.551 10.851 384 HA ASN 52 HA ASN 52 -10.757 -4.448 11.521 385 HB2 ASN 52 HB2 ASN 52 -8.821 -2.433 10.411 386 HB3 ASN 52 HB1 ASN 52 -10.534 -2.057 10.577 387 HD21 ASN 52 HD21 ASN 52 -7.555 -2.656 12.233 388 HD22 ASN 52 HD22 ASN 52 -8.089 -2.166 13.802 389 H THR 53 HN THR 53 -9.004 -4.884 8.585 390 HA THR 53 HA THR 53 -11.442 -4.490 6.994 391 HB THR 53 HB THR 53 -10.038 -4.404 5.038 392 HG1 THR 53 HG1 THR 53 -7.685 -4.563 5.409 393 HG21 THR 53 HG21 THR 53 -8.911 -2.794 7.326 394 HG22 THR 53 HG22 THR 53 -10.214 -2.321 6.236 395 HG23 THR 53 HG23 THR 53 -8.567 -2.482 5.625 396 H GLY 54 HN GLY 54 -9.851 -6.923 8.553 397 HA2 GLY 54 HA2 GLY 54 -10.039 -9.208 8.472 398 HA3 GLY 54 HA1 GLY 54 -11.373 -8.970 7.355 399 H GLN 55 HN GLN 55 -8.115 -7.819 6.730 400 HA GLN 55 HA GLN 55 -8.024 -9.570 4.390 401 HB2 GLN 55 HB2 GLN 55 -6.351 -7.179 5.172 402 HB3 GLN 55 HB1 GLN 55 -6.095 -8.127 3.714 403 HG2 GLN 55 HG2 GLN 55 -8.603 -6.609 4.393 404 HG3 GLN 55 HG1 GLN 55 -7.346 -6.073 3.279 405 HE21 GLN 55 HE21 GLN 55 -9.964 -8.295 3.803 406 HE22 GLN 55 HE22 GLN 55 -10.114 -8.824 2.165 407 H ASP 56 HN ASP 56 -6.687 -11.259 4.213 408 HA ASP 56 HA ASP 56 -5.287 -12.253 6.446 409 HB2 ASP 56 HB2 ASP 56 -5.018 -13.013 3.528 410 HB3 ASP 56 HB1 ASP 56 -4.406 -13.952 4.886 411 H SER 57 HN SER 57 -3.637 -11.081 7.271 412 HA SER 57 HA SER 57 -1.481 -10.301 5.421 413 HB2 SER 57 HB2 SER 57 -2.327 -8.947 7.992 414 HB3 SER 57 HB1 SER 57 -0.940 -8.480 7.010 415 HG SER 57 HG SER 57 -3.588 -8.580 6.008 416 H GLY 58 HN GLY 58 0.685 -10.304 6.319 417 HA2 GLY 58 HA2 GLY 58 1.240 -11.643 8.790 418 HA3 GLY 58 HA1 GLY 58 1.486 -12.693 7.401 419 H VAL 59 HN VAL 59 2.440 -10.794 5.577 420 HA VAL 59 HA VAL 59 5.183 -10.707 6.277 421 HB VAL 59 HB VAL 59 3.794 -9.190 4.058 422 HG11 VAL 59 HG11 VAL 59 5.994 -8.357 4.295 423 HG12 VAL 59 HG12 VAL 59 6.042 -9.490 2.945 424 HG13 VAL 59 HG13 VAL 59 6.660 -9.974 4.524 425 HG21 VAL 59 HG21 VAL 59 4.923 -11.986 4.063 426 HG22 VAL 59 HG22 VAL 59 4.358 -11.118 2.635 427 HG23 VAL 59 HG23 VAL 59 3.223 -11.540 3.918 428 H TRP 60 HN TRP 60 6.496 -8.657 6.193 429 HA TRP 60 HA TRP 60 5.371 -6.760 8.057 430 HB2 TRP 60 HB2 TRP 60 7.778 -5.691 7.562 431 HB3 TRP 60 HB1 TRP 60 7.547 -7.033 8.676 432 HD1 TRP 60 HD1 TRP 60 8.447 -9.426 7.927 433 HE1 TRP 60 HE1 TRP 60 10.127 -10.151 6.118 434 HE3 TRP 60 HE3 TRP 60 8.613 -5.109 5.190 435 HZ2 TRP 60 HZ2 TRP 60 11.360 -9.044 3.837 436 HZ3 TRP 60 HZ3 TRP 60 10.071 -5.028 3.208 437 HH2 TRP 60 HH2 TRP 60 11.414 -6.954 2.548 438 H GLY 61 HN GLY 61 4.046 -5.275 7.305 439 HA2 GLY 61 HA2 GLY 61 4.599 -3.043 5.959 440 HA3 GLY 61 HA1 GLY 61 4.371 -4.174 4.632 441 H GLY 62 HN GLY 62 2.576 -2.770 4.006 442 HA2 GLY 62 HA2 GLY 62 0.095 -3.778 5.056 443 HA3 GLY 62 HA1 GLY 62 0.368 -2.092 5.466 444 H MET 63 HN MET 63 -0.481 -4.334 2.984 445 HA MET 63 HA MET 63 -0.958 -2.069 1.161 446 HB2 MET 63 HB2 MET 63 0.902 -3.539 0.409 447 HB3 MET 63 HB1 MET 63 -0.221 -4.891 0.367 448 HG2 MET 63 HG2 MET 63 -1.196 -2.629 -1.147 449 HG3 MET 63 HG1 MET 63 0.386 -3.167 -1.705 450 HE1 MET 63 HE1 MET 63 0.904 -5.661 -2.477 451 HE2 MET 63 HE2 MET 63 -0.304 -6.946 -2.515 452 HE3 MET 63 HE3 MET 63 0.241 -6.293 -0.971 453 H SER 64 HN SER 64 -2.945 -1.931 0.239 454 HA SER 64 HA SER 64 -5.025 -3.613 1.286 455 HB2 SER 64 HB2 SER 64 -6.551 -2.031 0.206 456 HB3 SER 64 HB1 SER 64 -5.335 -1.172 1.151 457 HG SER 64 HG SER 64 -4.724 -0.227 -0.611 458 H GLU 65 HN GLU 65 -6.745 -4.366 -0.159 459 HA GLU 65 HA GLU 65 -5.757 -6.197 -2.049 460 HB2 GLU 65 HB2 GLU 65 -8.117 -6.653 -2.571 461 HB3 GLU 65 HB1 GLU 65 -7.835 -6.594 -0.836 462 HG2 GLU 65 HG2 GLU 65 -8.731 -4.325 -0.763 463 HG3 GLU 65 HG1 GLU 65 -9.014 -4.382 -2.503 464 H ASP 66 HN ASP 66 -7.240 -3.013 -2.392 465 HA ASP 66 HA ASP 66 -7.550 -3.040 -5.183 466 HB2 ASP 66 HB2 ASP 66 -7.077 -0.710 -3.315 467 HB3 ASP 66 HB1 ASP 66 -7.585 -0.558 -4.994 468 H GLU 67 HN GLU 67 -4.879 -2.238 -3.102 469 HA GLU 67 HA GLU 67 -3.145 -1.174 -5.055 470 HB2 GLU 67 HB2 GLU 67 -2.629 -2.525 -2.407 471 HB3 GLU 67 HB1 GLU 67 -1.339 -1.858 -3.398 472 HG2 GLU 67 HG2 GLU 67 -2.232 0.348 -3.191 473 HG3 GLU 67 HG1 GLU 67 -3.678 -0.262 -2.387 474 H ARG 68 HN ARG 68 -3.793 -4.430 -3.896 475 HA ARG 68 HA ARG 68 -1.730 -5.771 -5.241 476 HB2 ARG 68 HB2 ARG 68 -3.081 -6.834 -3.490 477 HB3 ARG 68 HB1 ARG 68 -4.500 -6.759 -4.526 478 HG2 ARG 68 HG2 ARG 68 -3.425 -8.270 -6.114 479 HG3 ARG 68 HG1 ARG 68 -1.999 -8.342 -5.078 480 HD2 ARG 68 HD2 ARG 68 -3.356 -9.299 -3.281 481 HD3 ARG 68 HD1 ARG 68 -4.781 -9.225 -4.315 482 HE ARG 68 HE ARG 68 -2.800 -10.689 -5.642 483 HH11 ARG 68 HH11 ARG 68 -4.858 -10.953 -2.835 484 HH12 ARG 68 HH12 ARG 68 -4.913 -12.683 -2.884 485 HH21 ARG 68 HH21 ARG 68 -2.872 -12.965 -5.707 486 HH22 ARG 68 HH22 ARG 68 -3.785 -13.826 -4.513 487 H ARG 69 HN ARG 69 -4.911 -4.696 -6.254 488 HA ARG 69 HA ARG 69 -4.953 -6.030 -8.753 489 HB2 ARG 69 HB2 ARG 69 -6.987 -5.128 -7.720 490 HB3 ARG 69 HB1 ARG 69 -6.358 -3.494 -7.884 491 HG2 ARG 69 HG2 ARG 69 -6.401 -3.716 -10.314 492 HG3 ARG 69 HG1 ARG 69 -7.023 -5.359 -10.154 493 HD2 ARG 69 HD2 ARG 69 -9.012 -4.493 -9.021 494 HD3 ARG 69 HD1 ARG 69 -8.388 -2.851 -9.179 495 HE ARG 69 HE ARG 69 -8.496 -4.005 -11.726 496 HH11 ARG 69 HH11 ARG 69 -10.662 -2.930 -9.210 497 HH12 ARG 69 HH12 ARG 69 -11.945 -2.545 -10.306 498 HH21 ARG 69 HH21 ARG 69 -10.183 -3.501 -13.169 499 HH22 ARG 69 HH22 ARG 69 -11.674 -2.869 -12.554 500 H ALA 70 HN ALA 70 -3.768 -2.908 -7.666 501 HA ALA 70 HA ALA 70 -3.204 -1.729 -10.140 502 HB1 ALA 70 HB1 ALA 70 -1.760 -1.378 -7.524 503 HB2 ALA 70 HB2 ALA 70 -3.208 -0.509 -8.031 504 HB3 ALA 70 HB3 ALA 70 -1.691 -0.279 -8.902 505 H LEU 71 HN LEU 71 -1.259 -3.824 -8.087 506 HA LEU 71 HA LEU 71 1.081 -3.681 -9.704 507 HB2 LEU 71 HB2 LEU 71 2.069 -5.089 -8.198 508 HB3 LEU 71 HB1 LEU 71 0.788 -4.419 -7.212 509 HG LEU 71 HG LEU 71 -0.505 -6.579 -8.062 510 HD11 LEU 71 HD11 LEU 71 1.048 -8.496 -8.147 511 HD12 LEU 71 HD12 LEU 71 2.400 -7.364 -8.194 512 HD13 LEU 71 HD13 LEU 71 1.235 -7.401 -9.515 513 HD21 LEU 71 HD21 LEU 71 1.571 -6.860 -5.910 514 HD22 LEU 71 HD22 LEU 71 -0.041 -7.573 -5.982 515 HD23 LEU 71 HD23 LEU 71 0.145 -5.840 -5.718 516 H LYS 72 HN LYS 72 -1.665 -5.894 -9.549 517 HA LYS 72 HA LYS 72 -0.652 -7.852 -11.294 518 HB2 LYS 72 HB2 LYS 72 -3.280 -7.146 -10.180 519 HB3 LYS 72 HB1 LYS 72 -3.346 -7.961 -11.736 520 HG2 LYS 72 HG2 LYS 72 -3.512 -9.546 -9.903 521 HG3 LYS 72 HG1 LYS 72 -2.038 -9.809 -10.837 522 HD2 LYS 72 HD2 LYS 72 -0.771 -8.548 -9.142 523 HD3 LYS 72 HD1 LYS 72 -2.251 -8.359 -8.199 524 HE2 LYS 72 HE2 LYS 72 -0.895 -10.191 -7.336 525 HE3 LYS 72 HE1 LYS 72 -2.425 -10.786 -7.980 526 HZ1 LYS 72 HZ1 LYS 72 0.185 -10.859 -9.397 527 HZ2 LYS 72 HZ2 LYS 72 -1.282 -11.449 -9.998 528 HZ3 LYS 72 HZ3 LYS 72 -0.566 -12.179 -8.651 529 H ARG 73 HN ARG 73 -2.306 -4.840 -11.827 530 HA ARG 73 HA ARG 73 -2.733 -5.200 -14.621 531 HB2 ARG 73 HB2 ARG 73 -2.678 -2.711 -12.909 532 HB3 ARG 73 HB1 ARG 73 -3.127 -2.720 -14.608 533 HG2 ARG 73 HG2 ARG 73 -4.548 -4.293 -12.471 534 HG3 ARG 73 HG1 ARG 73 -5.050 -2.700 -13.041 535 HD2 ARG 73 HD2 ARG 73 -6.370 -4.211 -14.252 536 HD3 ARG 73 HD1 ARG 73 -5.094 -3.736 -15.371 537 HE ARG 73 HE ARG 73 -4.381 -6.085 -13.948 538 HH11 ARG 73 HH11 ARG 73 -6.389 -4.943 -16.563 539 HH12 ARG 73 HH12 ARG 73 -6.392 -6.463 -17.391 540 HH21 ARG 73 HH21 ARG 73 -4.382 -8.086 -15.038 541 HH22 ARG 73 HH22 ARG 73 -5.252 -8.247 -16.526 542 H ARG 74 HN ARG 74 -0.159 -3.884 -12.648 543 HA ARG 74 HA ARG 74 1.306 -2.603 -14.685 544 HB2 ARG 74 HB2 ARG 74 1.753 -2.183 -12.326 545 HB3 ARG 74 HB1 ARG 74 2.250 -3.853 -12.097 546 HG2 ARG 74 HG2 ARG 74 4.190 -2.438 -12.220 547 HG3 ARG 74 HG1 ARG 74 4.130 -3.481 -13.643 548 HD2 ARG 74 HD2 ARG 74 3.117 -1.614 -14.913 549 HD3 ARG 74 HD1 ARG 74 3.307 -0.584 -13.495 550 HE ARG 74 HE ARG 74 5.339 -1.340 -15.363 551 HH11 ARG 74 HH11 ARG 74 4.754 -0.422 -12.049 552 HH12 ARG 74 HH12 ARG 74 6.347 0.214 -11.811 553 HH21 ARG 74 HH21 ARG 74 7.436 -0.507 -15.053 554 HH22 ARG 74 HH22 ARG 74 7.870 0.166 -13.517 555 H ASN 75 HN ASN 75 1.413 -5.901 -13.401 556 HA ASN 75 HA ASN 75 3.582 -6.736 -15.051 557 HB2 ASN 75 HB2 ASN 75 1.511 -8.325 -13.526 558 HB3 ASN 75 HB1 ASN 75 2.905 -9.033 -14.335 559 HD21 ASN 75 HD21 ASN 75 2.171 -9.037 -11.514 560 HD22 ASN 75 HD22 ASN 75 3.504 -8.330 -10.673 561 H ALA 76 HN ALA 76 0.105 -6.674 -15.390 562 HA ALA 76 HA ALA 76 -1.279 -7.105 -17.144 563 HB1 ALA 76 HB1 ALA 76 -0.390 -6.839 -19.397 564 HB2 ALA 76 HB2 ALA 76 1.256 -6.940 -18.771 565 HB3 ALA 76 HB3 ALA 76 0.226 -5.579 -18.327 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 9.441 7.008 16.824 2 H2 MET 1 HT2 MET 1 9.853 7.711 15.342 3 H3 MET 1 HT3 MET 1 11.049 6.986 16.293 4 HA MET 1 HA MET 1 10.499 5.549 14.474 5 HB2 MET 1 HB2 MET 1 9.392 4.552 17.107 6 HB3 MET 1 HB1 MET 1 9.876 3.535 15.756 7 HG2 MET 1 HG2 MET 1 11.680 5.341 17.351 8 HG3 MET 1 HG1 MET 1 11.582 3.586 17.482 9 HE1 MET 1 HE1 MET 1 12.279 1.923 15.508 10 HE2 MET 1 HE2 MET 1 12.893 2.470 13.947 11 HE3 MET 1 HE3 MET 1 11.217 2.789 14.397 12 H ASP 2 HN ASP 2 7.667 6.324 16.466 13 HA ASP 2 HA ASP 2 5.787 4.954 14.859 14 HB2 ASP 2 HB2 ASP 2 5.301 5.601 17.170 15 HB3 ASP 2 HB1 ASP 2 5.398 7.303 16.730 16 H TRP 3 HN TRP 3 6.745 8.377 14.997 17 HA TRP 3 HA TRP 3 5.013 9.231 12.940 18 HB2 TRP 3 HB2 TRP 3 6.945 11.091 12.772 19 HB3 TRP 3 HB1 TRP 3 5.731 11.086 14.045 20 HD1 TRP 3 HD1 TRP 3 9.175 9.315 13.659 21 HE1 TRP 3 HE1 TRP 3 10.474 9.649 15.852 22 HE3 TRP 3 HE3 TRP 3 5.736 12.092 16.223 23 HZ2 TRP 3 HZ2 TRP 3 10.096 10.928 18.341 24 HZ3 TRP 3 HZ3 TRP 3 6.283 12.832 18.505 25 HH2 TRP 3 HH2 TRP 3 8.418 12.262 19.541 26 H ARG 4 HN ARG 4 8.205 7.812 12.907 27 HA ARG 4 HA ARG 4 8.802 8.430 10.191 28 HB2 ARG 4 HB2 ARG 4 9.901 6.389 12.120 29 HB3 ARG 4 HB1 ARG 4 10.476 6.519 10.464 30 HG2 ARG 4 HG2 ARG 4 11.129 8.848 10.890 31 HG3 ARG 4 HG1 ARG 4 10.593 8.675 12.562 32 HD2 ARG 4 HD2 ARG 4 12.229 6.892 12.904 33 HD3 ARG 4 HD1 ARG 4 12.761 7.054 11.232 34 HE ARG 4 HE ARG 4 13.350 8.844 13.442 35 HH11 ARG 4 HH11 ARG 4 13.424 8.330 9.986 36 HH12 ARG 4 HH12 ARG 4 14.654 9.516 9.713 37 HH21 ARG 4 HH21 ARG 4 14.964 10.404 13.078 38 HH22 ARG 4 HH22 ARG 4 15.528 10.694 11.466 39 H HIS 5 HN HIS 5 7.291 5.699 11.835 40 HA HIS 5 HA HIS 5 7.156 3.961 9.620 41 HB2 HIS 5 HB2 HIS 5 5.278 4.173 11.990 42 HB3 HIS 5 HB1 HIS 5 5.419 2.790 10.910 43 HD1 HIS 5 HD1 HIS 5 5.912 2.573 13.973 44 HD2 HIS 5 HD2 HIS 5 8.889 3.110 11.127 45 HE1 HIS 5 HE1 HIS 5 8.022 1.716 15.039 46 HE2 HIS 5 HE2 HIS 5 9.792 1.966 13.263 47 H LYS 6 HN LYS 6 5.088 6.561 10.771 48 HA LYS 6 HA LYS 6 3.183 6.032 8.634 49 HB2 LYS 6 HB2 LYS 6 3.199 7.986 10.935 50 HB3 LYS 6 HB1 LYS 6 1.996 8.053 9.656 51 HG2 LYS 6 HG2 LYS 6 0.991 6.871 11.414 52 HG3 LYS 6 HG1 LYS 6 1.448 5.651 10.226 53 HD2 LYS 6 HD2 LYS 6 3.483 5.178 11.538 54 HD3 LYS 6 HD1 LYS 6 2.959 6.356 12.742 55 HE2 LYS 6 HE2 LYS 6 0.908 5.023 13.094 56 HE3 LYS 6 HE1 LYS 6 1.519 3.826 11.954 57 HZ1 LYS 6 HZ1 LYS 6 2.696 4.571 14.572 58 HZ2 LYS 6 HZ2 LYS 6 3.473 3.578 13.446 59 HZ3 LYS 6 HZ3 LYS 6 2.013 3.084 14.141 60 H ALA 7 HN ALA 7 6.050 7.568 9.068 61 HA ALA 7 HA ALA 7 5.674 9.948 7.563 62 HB1 ALA 7 HB1 ALA 7 7.603 9.594 9.094 63 HB2 ALA 7 HB2 ALA 7 8.088 10.074 7.470 64 HB3 ALA 7 HB3 ALA 7 8.233 8.391 7.969 65 H VAL 8 HN VAL 8 6.844 6.686 6.878 66 HA VAL 8 HA VAL 8 7.076 7.207 4.080 67 HB VAL 8 HB VAL 8 6.861 4.431 5.206 68 HG11 VAL 8 HG11 VAL 8 8.461 5.645 2.952 69 HG12 VAL 8 HG12 VAL 8 6.986 4.695 2.784 70 HG13 VAL 8 HG13 VAL 8 8.455 3.940 3.402 71 HG21 VAL 8 HG21 VAL 8 9.325 4.510 5.592 72 HG22 VAL 8 HG22 VAL 8 8.401 5.515 6.708 73 HG23 VAL 8 HG23 VAL 8 9.261 6.258 5.359 74 H CYS 9 HN CYS 9 4.589 6.219 6.299 75 HA CYS 9 HA CYS 9 2.712 5.019 4.647 76 HB2 CYS 9 HB2 CYS 9 2.669 6.430 7.149 77 HB3 CYS 9 HB1 CYS 9 1.301 6.946 6.185 78 H ARG 10 HN ARG 10 3.139 8.458 5.328 79 HA ARG 10 HA ARG 10 1.343 9.365 3.328 80 HB2 ARG 10 HB2 ARG 10 2.306 11.603 3.805 81 HB3 ARG 10 HB1 ARG 10 1.784 10.750 5.251 82 HG2 ARG 10 HG2 ARG 10 4.071 10.156 5.769 83 HG3 ARG 10 HG1 ARG 10 4.628 10.911 4.274 84 HD2 ARG 10 HD2 ARG 10 3.814 13.078 5.072 85 HD3 ARG 10 HD1 ARG 10 3.261 12.320 6.565 86 HE ARG 10 HE ARG 10 5.983 11.763 6.248 87 HH11 ARG 10 HH11 ARG 10 3.892 14.489 6.859 88 HH12 ARG 10 HH12 ARG 10 5.090 15.368 7.748 89 HH21 ARG 10 HH21 ARG 10 7.560 12.917 7.417 90 HH22 ARG 10 HH22 ARG 10 7.173 14.476 8.065 91 H ASP 11 HN ASP 11 4.639 8.409 3.277 92 HA ASP 11 HA ASP 11 5.296 9.849 0.860 93 HB2 ASP 11 HB2 ASP 11 6.831 7.687 2.312 94 HB3 ASP 11 HB1 ASP 11 7.445 8.664 0.984 95 H GLU 12 HN GLU 12 3.210 7.474 1.179 96 HA GLU 12 HA GLU 12 4.201 5.587 -0.736 97 HB2 GLU 12 HB2 GLU 12 2.046 5.787 1.201 98 HB3 GLU 12 HB1 GLU 12 1.453 5.169 -0.321 99 HG2 GLU 12 HG2 GLU 12 3.140 3.402 -0.260 100 HG3 GLU 12 HG1 GLU 12 3.740 4.038 1.269 101 H ASP 13 HN ASP 13 1.644 5.215 -2.034 102 HA ASP 13 HA ASP 13 1.692 7.525 -3.838 103 HB2 ASP 13 HB2 ASP 13 2.517 5.368 -4.830 104 HB3 ASP 13 HB1 ASP 13 0.919 4.674 -4.578 105 HA PRO 14 HA PRO 14 -2.445 8.341 -2.379 106 HB2 PRO 14 HB2 PRO 14 -3.220 9.685 -4.716 107 HB3 PRO 14 HB1 PRO 14 -2.521 10.426 -3.276 108 HG2 PRO 14 HG2 PRO 14 -1.210 9.641 -5.833 109 HG3 PRO 14 HG1 PRO 14 -0.873 11.020 -4.770 110 HD2 PRO 14 HD2 PRO 14 0.733 8.880 -4.824 111 HD3 PRO 14 HD1 PRO 14 0.398 9.739 -3.307 112 H GLU 15 HN GLU 15 -1.585 6.857 -5.406 113 HA GLU 15 HA GLU 15 -4.180 6.019 -6.165 114 HB2 GLU 15 HB2 GLU 15 -1.486 4.830 -6.901 115 HB3 GLU 15 HB1 GLU 15 -3.008 4.521 -7.723 116 HG2 GLU 15 HG2 GLU 15 -1.606 7.176 -7.544 117 HG3 GLU 15 HG1 GLU 15 -1.655 6.113 -8.950 118 H LEU 16 HN LEU 16 -1.958 4.907 -3.786 119 HA LEU 16 HA LEU 16 -2.916 2.214 -3.631 120 HB2 LEU 16 HB2 LEU 16 -1.457 3.778 -1.490 121 HB3 LEU 16 HB1 LEU 16 -1.606 2.033 -1.598 122 HG LEU 16 HG LEU 16 0.232 3.859 -3.011 123 HD11 LEU 16 HD11 LEU 16 1.587 1.722 -3.127 124 HD12 LEU 16 HD12 LEU 16 0.311 0.982 -2.142 125 HD13 LEU 16 HD13 LEU 16 1.234 2.337 -1.499 126 HD21 LEU 16 HD21 LEU 16 -0.906 3.297 -4.945 127 HD22 LEU 16 HD22 LEU 16 -1.253 1.671 -4.375 128 HD23 LEU 16 HD23 LEU 16 0.387 2.104 -4.847 129 H PHE 17 HN PHE 17 -4.123 5.210 -2.618 130 HA PHE 17 HA PHE 17 -5.904 3.966 -0.650 131 HB2 PHE 17 HB2 PHE 17 -5.406 6.890 -1.262 132 HB3 PHE 17 HB1 PHE 17 -6.482 6.281 -0.009 133 HD1 PHE 17 HD1 PHE 17 -5.602 5.318 2.027 134 HD2 PHE 17 HD2 PHE 17 -3.006 6.789 -1.006 135 HE1 PHE 17 HE1 PHE 17 -3.727 5.275 3.618 136 HE2 PHE 17 HE2 PHE 17 -1.125 6.749 0.579 137 HZ PHE 17 HZ PHE 17 -1.484 5.990 2.894 138 H PHE 18 HN PHE 18 -5.768 4.832 -3.891 139 HA PHE 18 HA PHE 18 -8.704 4.801 -4.068 140 HB2 PHE 18 HB2 PHE 18 -6.815 6.590 -5.604 141 HB3 PHE 18 HB1 PHE 18 -8.515 6.378 -6.008 142 HD1 PHE 18 HD1 PHE 18 -10.071 7.818 -5.111 143 HD2 PHE 18 HD2 PHE 18 -6.326 7.333 -3.150 144 HE1 PHE 18 HE1 PHE 18 -10.674 9.602 -3.527 145 HE2 PHE 18 HE2 PHE 18 -6.920 9.116 -1.562 146 HZ PHE 18 HZ PHE 18 -9.097 10.254 -1.750 147 HA PRO 19 HA PRO 19 -7.668 1.269 -6.640 148 HB2 PRO 19 HB2 PRO 19 -10.517 1.506 -7.423 149 HB3 PRO 19 HB1 PRO 19 -9.643 0.122 -6.760 150 HG2 PRO 19 HG2 PRO 19 -11.374 1.499 -5.266 151 HG3 PRO 19 HG1 PRO 19 -9.874 0.850 -4.576 152 HD2 PRO 19 HD2 PRO 19 -10.531 3.653 -5.389 153 HD3 PRO 19 HD1 PRO 19 -9.611 3.070 -3.986 154 H VAL 20 HN VAL 20 -6.912 1.194 -8.680 155 HA VAL 20 HA VAL 20 -7.325 3.421 -10.444 156 HB VAL 20 HB VAL 20 -5.844 0.846 -10.978 157 HG11 VAL 20 HG11 VAL 20 -4.636 2.173 -12.650 158 HG12 VAL 20 HG12 VAL 20 -5.671 3.556 -12.292 159 HG13 VAL 20 HG13 VAL 20 -6.362 2.096 -13.000 160 HG21 VAL 20 HG21 VAL 20 -3.846 1.997 -10.262 161 HG22 VAL 20 HG22 VAL 20 -5.038 2.009 -8.963 162 HG23 VAL 20 HG23 VAL 20 -4.772 3.459 -9.929 163 H GLY 21 HN GLY 21 -8.082 3.291 -12.598 164 HA2 GLY 21 HA2 GLY 21 -9.310 0.991 -13.696 165 HA3 GLY 21 HA1 GLY 21 -10.526 1.998 -12.929 166 H ASN 22 HN ASN 22 -8.325 4.195 -13.895 167 HA ASN 22 HA ASN 22 -9.512 4.425 -16.575 168 HB2 ASN 22 HB2 ASN 22 -8.888 6.660 -14.639 169 HB3 ASN 22 HB1 ASN 22 -9.480 6.875 -16.283 170 HD21 ASN 22 HD21 ASN 22 -10.267 5.856 -13.059 171 HD22 ASN 22 HD22 ASN 22 -11.981 5.823 -13.269 172 H SER 23 HN SER 23 -6.590 4.294 -14.772 173 HA SER 23 HA SER 23 -5.136 5.005 -17.221 174 HB2 SER 23 HB2 SER 23 -3.447 6.222 -15.890 175 HB3 SER 23 HB1 SER 23 -5.039 6.978 -15.785 176 HG SER 23 HG SER 23 -4.944 6.684 -13.717 177 H GLY 24 HN GLY 24 -3.045 4.140 -17.421 178 HA2 GLY 24 HA2 GLY 24 -2.714 1.588 -16.070 179 HA3 GLY 24 HA1 GLY 24 -1.796 2.158 -17.458 180 HA PRO 25 HA PRO 25 1.466 4.082 -15.100 181 HB2 PRO 25 HB2 PRO 25 0.014 6.666 -14.720 182 HB3 PRO 25 HB1 PRO 25 1.671 6.382 -15.268 183 HG2 PRO 25 HG2 PRO 25 -0.227 7.032 -17.010 184 HG3 PRO 25 HG1 PRO 25 1.003 5.821 -17.420 185 HD2 PRO 25 HD2 PRO 25 -1.857 5.442 -16.671 186 HD3 PRO 25 HD1 PRO 25 -0.859 4.521 -17.813 187 H ALA 26 HN ALA 26 -1.771 4.483 -13.889 188 HA ALA 26 HA ALA 26 -1.161 5.196 -11.234 189 HB1 ALA 26 HB1 ALA 26 -3.355 4.861 -10.768 190 HB2 ALA 26 HB2 ALA 26 -3.421 3.334 -11.650 191 HB3 ALA 26 HB3 ALA 26 -3.484 4.864 -12.529 192 H LEU 27 HN LEU 27 -1.215 2.136 -12.884 193 HA LEU 27 HA LEU 27 -0.948 0.499 -10.579 194 HB2 LEU 27 HB2 LEU 27 -0.161 0.004 -13.444 195 HB3 LEU 27 HB1 LEU 27 -0.222 -1.225 -12.197 196 HG LEU 27 HG LEU 27 -2.270 -1.647 -13.037 197 HD11 LEU 27 HD11 LEU 27 -3.195 0.910 -11.780 198 HD12 LEU 27 HD12 LEU 27 -2.601 -0.428 -10.802 199 HD13 LEU 27 HD13 LEU 27 -4.009 -0.654 -11.841 200 HD21 LEU 27 HD21 LEU 27 -2.560 1.193 -13.987 201 HD22 LEU 27 HD22 LEU 27 -3.500 -0.214 -14.487 202 HD23 LEU 27 HD23 LEU 27 -1.798 -0.087 -14.932 203 H ALA 28 HN ALA 28 1.311 1.957 -12.843 204 HA ALA 28 HA ALA 28 3.627 0.791 -11.673 205 HB1 ALA 28 HB1 ALA 28 3.390 3.284 -13.357 206 HB2 ALA 28 HB2 ALA 28 3.642 1.649 -13.969 207 HB3 ALA 28 HB3 ALA 28 4.886 2.426 -12.989 208 H GLN 29 HN GLN 29 1.750 3.655 -11.156 209 HA GLN 29 HA GLN 29 3.599 4.977 -9.406 210 HB2 GLN 29 HB2 GLN 29 0.621 5.270 -9.895 211 HB3 GLN 29 HB1 GLN 29 1.484 6.252 -8.713 212 HG2 GLN 29 HG2 GLN 29 2.916 7.138 -10.469 213 HG3 GLN 29 HG1 GLN 29 2.091 6.132 -11.660 214 HE21 GLN 29 HE21 GLN 29 2.363 9.034 -11.523 215 HE22 GLN 29 HE22 GLN 29 0.754 9.665 -11.506 216 H ILE 30 HN ILE 30 0.636 3.129 -8.939 217 HA ILE 30 HA ILE 30 0.662 2.942 -6.209 218 HB ILE 30 HB ILE 30 -0.409 1.111 -8.334 219 HG12 ILE 30 HG12 ILE 30 -1.747 2.993 -6.387 220 HG13 ILE 30 HG11 ILE 30 -1.524 3.262 -8.106 221 HG21 ILE 30 HG21 ILE 30 -1.750 0.419 -6.050 222 HG22 ILE 30 HG22 ILE 30 -0.079 0.580 -5.506 223 HG23 ILE 30 HG23 ILE 30 -0.477 -0.513 -6.838 224 HD11 ILE 30 HD11 ILE 30 -3.184 1.079 -6.885 225 HD12 ILE 30 HD12 ILE 30 -2.997 1.417 -8.605 226 HD13 ILE 30 HD13 ILE 30 -3.796 2.589 -7.559 227 H ALA 31 HN ALA 31 2.132 0.850 -8.589 228 HA ALA 31 HA ALA 31 3.000 -1.186 -6.873 229 HB1 ALA 31 HB1 ALA 31 4.254 -0.267 -9.459 230 HB2 ALA 31 HB2 ALA 31 2.932 -1.425 -9.309 231 HB3 ALA 31 HB3 ALA 31 4.528 -1.818 -8.666 232 H ASP 32 HN ASP 32 4.232 1.977 -7.502 233 HA ASP 32 HA ASP 32 6.904 1.437 -6.601 234 HB2 ASP 32 HB2 ASP 32 5.452 4.037 -7.116 235 HB3 ASP 32 HB1 ASP 32 7.141 3.937 -6.630 236 H ALA 33 HN ALA 33 3.991 2.874 -5.316 237 HA ALA 33 HA ALA 33 5.155 3.555 -2.815 238 HB1 ALA 33 HB1 ALA 33 2.372 3.379 -3.861 239 HB2 ALA 33 HB2 ALA 33 3.272 4.768 -3.257 240 HB3 ALA 33 HB3 ALA 33 2.656 3.566 -2.130 241 H LYS 34 HN LYS 34 3.511 0.720 -4.092 242 HA LYS 34 HA LYS 34 3.135 -0.641 -1.666 243 HB2 LYS 34 HB2 LYS 34 2.153 -1.305 -3.884 244 HB3 LYS 34 HB1 LYS 34 3.739 -1.916 -4.340 245 HG2 LYS 34 HG2 LYS 34 3.613 -3.374 -2.268 246 HG3 LYS 34 HG1 LYS 34 1.909 -2.923 -2.185 247 HD2 LYS 34 HD2 LYS 34 1.665 -3.767 -4.533 248 HD3 LYS 34 HD1 LYS 34 3.317 -4.380 -4.417 249 HE2 LYS 34 HE2 LYS 34 2.655 -5.743 -2.479 250 HE3 LYS 34 HE1 LYS 34 1.001 -5.154 -2.643 251 HZ1 LYS 34 HZ1 LYS 34 1.114 -7.261 -3.682 252 HZ2 LYS 34 HZ2 LYS 34 2.508 -6.854 -4.549 253 HZ3 LYS 34 HZ3 LYS 34 1.032 -6.121 -4.931 254 H LEU 35 HN LEU 35 5.888 -0.539 -3.914 255 HA LEU 35 HA LEU 35 7.449 -2.483 -2.584 256 HB2 LEU 35 HB2 LEU 35 8.196 -0.155 -4.345 257 HB3 LEU 35 HB1 LEU 35 9.382 -1.279 -3.715 258 HG LEU 35 HG LEU 35 8.933 -2.806 -5.289 259 HD11 LEU 35 HD11 LEU 35 6.673 -3.509 -5.948 260 HD12 LEU 35 HD12 LEU 35 5.995 -2.216 -4.961 261 HD13 LEU 35 HD13 LEU 35 6.891 -3.526 -4.198 262 HD21 LEU 35 HD21 LEU 35 9.103 -1.027 -6.787 263 HD22 LEU 35 HD22 LEU 35 7.516 -0.393 -6.356 264 HD23 LEU 35 HD23 LEU 35 7.645 -1.879 -7.299 265 H VAL 36 HN VAL 36 7.230 1.021 -2.282 266 HA VAL 36 HA VAL 36 9.252 1.267 -0.298 267 HB VAL 36 HB VAL 36 6.953 3.137 -0.899 268 HG11 VAL 36 HG11 VAL 36 9.546 3.654 0.555 269 HG12 VAL 36 HG12 VAL 36 7.953 3.531 1.303 270 HG13 VAL 36 HG13 VAL 36 8.302 4.849 0.186 271 HG21 VAL 36 HG21 VAL 36 8.523 4.353 -2.285 272 HG22 VAL 36 HG22 VAL 36 8.408 2.683 -2.838 273 HG23 VAL 36 HG23 VAL 36 9.801 3.203 -1.892 274 H CYS 37 HN CYS 37 5.804 0.661 -0.189 275 HA CYS 37 HA CYS 37 5.551 1.062 2.645 276 HB2 CYS 37 HB2 CYS 37 3.638 1.413 1.170 277 HB3 CYS 37 HB1 CYS 37 3.709 -0.261 0.639 278 H ASN 38 HN ASN 38 6.487 -1.540 0.586 279 HA ASN 38 HA ASN 38 5.923 -3.620 2.495 280 HB2 ASN 38 HB2 ASN 38 7.348 -3.579 -0.156 281 HB3 ASN 38 HB1 ASN 38 7.302 -5.018 0.854 282 HD21 ASN 38 HD21 ASN 38 4.550 -2.896 0.865 283 HD22 ASN 38 HD22 ASN 38 3.521 -3.905 -0.081 284 H ARG 39 HN ARG 39 8.696 -1.626 1.664 285 HA ARG 39 HA ARG 39 10.409 -3.279 3.371 286 HB2 ARG 39 HB2 ARG 39 11.093 -0.899 1.638 287 HB3 ARG 39 HB1 ARG 39 12.251 -1.863 2.545 288 HG2 ARG 39 HG2 ARG 39 11.657 -3.826 1.213 289 HG3 ARG 39 HG1 ARG 39 10.506 -2.851 0.298 290 HD2 ARG 39 HD2 ARG 39 12.337 -1.412 -0.461 291 HD3 ARG 39 HD1 ARG 39 13.484 -2.393 0.450 292 HE ARG 39 HE ARG 39 12.084 -4.079 -1.279 293 HH11 ARG 39 HH11 ARG 39 14.373 -1.450 -1.444 294 HH12 ARG 39 HH12 ARG 39 15.074 -1.988 -2.933 295 HH21 ARG 39 HH21 ARG 39 13.004 -4.788 -3.238 296 HH22 ARG 39 HH22 ARG 39 14.296 -3.883 -3.952 297 H CYS 40 HN CYS 40 8.391 -0.629 3.694 298 HA CYS 40 HA CYS 40 9.950 0.849 5.596 299 HB2 CYS 40 HB2 CYS 40 8.424 2.243 4.584 300 HB3 CYS 40 HB1 CYS 40 7.183 1.002 4.496 301 HA PRO 41 HA PRO 41 9.546 -1.393 9.364 302 HB2 PRO 41 HB2 PRO 41 8.275 1.140 10.333 303 HB3 PRO 41 HB1 PRO 41 9.495 0.129 11.120 304 HG2 PRO 41 HG2 PRO 41 10.198 2.371 9.863 305 HG3 PRO 41 HG1 PRO 41 11.210 0.918 9.771 306 HD2 PRO 41 HD2 PRO 41 9.489 2.154 7.702 307 HD3 PRO 41 HD1 PRO 41 10.928 1.133 7.514 308 H VAL 42 HN VAL 42 7.994 -2.362 10.737 309 HA VAL 42 HA VAL 42 5.250 -2.259 9.681 310 HB VAL 42 HB VAL 42 6.524 -4.446 11.331 311 HG11 VAL 42 HG11 VAL 42 4.590 -5.773 10.614 312 HG12 VAL 42 HG12 VAL 42 3.934 -4.361 9.788 313 HG13 VAL 42 HG13 VAL 42 4.102 -4.356 11.544 314 HG21 VAL 42 HG21 VAL 42 6.056 -4.324 8.353 315 HG22 VAL 42 HG22 VAL 42 6.656 -5.719 9.249 316 HG23 VAL 42 HG23 VAL 42 7.622 -4.248 9.160 317 H THR 43 HN THR 43 3.585 -1.730 10.953 318 HA THR 43 HA THR 43 4.002 -1.447 13.844 319 HB THR 43 HB THR 43 2.909 0.676 13.915 320 HG1 THR 43 HG1 THR 43 2.143 1.653 11.966 321 HG21 THR 43 HG21 THR 43 4.397 2.086 12.585 322 HG22 THR 43 HG22 THR 43 4.905 0.675 11.661 323 HG23 THR 43 HG23 THR 43 5.277 0.784 13.381 324 H THR 44 HN THR 44 1.914 -1.045 14.987 325 HA THR 44 HA THR 44 0.075 -3.079 14.536 326 HB THR 44 HB THR 44 -0.439 -0.470 15.987 327 HG1 THR 44 HG1 THR 44 1.180 -1.322 17.129 328 HG21 THR 44 HG21 THR 44 -2.484 -1.732 15.525 329 HG22 THR 44 HG22 THR 44 -2.101 -1.763 17.246 330 HG23 THR 44 HG23 THR 44 -1.764 -3.174 16.241 331 H GLU 45 HN GLU 45 0.348 0.122 13.196 332 HA GLU 45 HA GLU 45 -2.312 0.475 12.315 333 HB2 GLU 45 HB2 GLU 45 0.296 1.529 11.212 334 HB3 GLU 45 HB1 GLU 45 -1.285 2.045 10.643 335 HG2 GLU 45 HG2 GLU 45 -0.146 2.406 13.403 336 HG3 GLU 45 HG1 GLU 45 -0.443 3.657 12.197 337 H CYS 46 HN CYS 46 0.498 -1.058 10.836 338 HA CYS 46 HA CYS 46 -0.758 -1.585 8.336 339 HB2 CYS 46 HB2 CYS 46 1.473 -3.302 9.345 340 HB3 CYS 46 HB1 CYS 46 1.195 -2.675 7.727 341 H LEU 47 HN LEU 47 -0.212 -3.525 11.267 342 HA LEU 47 HA LEU 47 -1.382 -5.896 10.258 343 HB2 LEU 47 HB2 LEU 47 -1.028 -4.907 13.085 344 HB3 LEU 47 HB1 LEU 47 -1.664 -6.492 12.694 345 HG LEU 47 HG LEU 47 0.616 -6.806 13.226 346 HD11 LEU 47 HD11 LEU 47 0.413 -6.721 10.221 347 HD12 LEU 47 HD12 LEU 47 -0.153 -8.035 11.252 348 HD13 LEU 47 HD13 LEU 47 1.568 -7.661 11.166 349 HD21 LEU 47 HD21 LEU 47 1.326 -4.654 11.244 350 HD22 LEU 47 HD22 LEU 47 2.428 -5.538 12.300 351 HD23 LEU 47 HD23 LEU 47 1.249 -4.423 12.990 352 H SER 48 HN SER 48 -2.660 -3.252 12.225 353 HA SER 48 HA SER 48 -5.265 -4.239 12.522 354 HB2 SER 48 HB2 SER 48 -4.333 -1.360 12.427 355 HB3 SER 48 HB1 SER 48 -5.896 -1.905 13.037 356 HG SER 48 HG SER 48 -4.957 -2.312 14.858 357 H TRP 49 HN TRP 49 -3.713 -2.464 9.976 358 HA TRP 49 HA TRP 49 -5.985 -1.721 8.496 359 HB2 TRP 49 HB2 TRP 49 -3.728 -0.798 8.075 360 HB3 TRP 49 HB1 TRP 49 -3.205 -2.369 7.480 361 HD1 TRP 49 HD1 TRP 49 -3.952 -3.067 5.033 362 HE1 TRP 49 HE1 TRP 49 -4.970 -1.742 3.075 363 HE3 TRP 49 HE3 TRP 49 -5.361 1.151 7.554 364 HZ2 TRP 49 HZ2 TRP 49 -6.208 0.761 2.656 365 HZ3 TRP 49 HZ3 TRP 49 -6.457 2.964 6.302 366 HH2 TRP 49 HH2 TRP 49 -6.869 2.771 3.902 367 H ALA 50 HN ALA 50 -3.957 -4.607 8.499 368 HA ALA 50 HA ALA 50 -5.161 -5.946 6.346 369 HB1 ALA 50 HB1 ALA 50 -3.869 -7.131 8.804 370 HB2 ALA 50 HB2 ALA 50 -3.030 -6.646 7.332 371 HB3 ALA 50 HB3 ALA 50 -4.186 -7.977 7.289 372 H LEU 51 HN LEU 51 -5.940 -5.841 9.801 373 HA LEU 51 HA LEU 51 -8.038 -7.758 9.627 374 HB2 LEU 51 HB2 LEU 51 -7.362 -5.670 11.685 375 HB3 LEU 51 HB1 LEU 51 -8.763 -6.712 11.838 376 HG LEU 51 HG LEU 51 -7.035 -7.651 13.173 377 HD11 LEU 51 HD11 LEU 51 -8.380 -9.235 11.852 378 HD12 LEU 51 HD12 LEU 51 -6.762 -9.842 12.205 379 HD13 LEU 51 HD13 LEU 51 -7.137 -9.215 10.600 380 HD21 LEU 51 HD21 LEU 51 -5.127 -6.521 12.197 381 HD22 LEU 51 HD22 LEU 51 -5.272 -7.495 10.734 382 HD23 LEU 51 HD23 LEU 51 -4.840 -8.260 12.262 383 H ASN 52 HN ASN 52 -7.837 -4.311 9.256 384 HA ASN 52 HA ASN 52 -10.640 -3.817 9.257 385 HB2 ASN 52 HB2 ASN 52 -8.375 -2.163 8.132 386 HB3 ASN 52 HB1 ASN 52 -10.031 -1.602 8.343 387 HD21 ASN 52 HD21 ASN 52 -7.551 -0.598 9.497 388 HD22 ASN 52 HD22 ASN 52 -7.762 -0.663 11.211 389 H THR 53 HN THR 53 -8.325 -4.740 6.850 390 HA THR 53 HA THR 53 -10.316 -4.415 4.717 391 HB THR 53 HB THR 53 -8.511 -4.671 3.137 392 HG1 THR 53 HG1 THR 53 -6.379 -5.064 3.890 393 HG21 THR 53 HG21 THR 53 -7.058 -2.772 3.818 394 HG22 THR 53 HG22 THR 53 -7.784 -2.845 5.424 395 HG23 THR 53 HG23 THR 53 -8.779 -2.445 4.025 396 H GLY 54 HN GLY 54 -9.332 -6.731 6.847 397 HA2 GLY 54 HA2 GLY 54 -9.829 -8.973 6.977 398 HA3 GLY 54 HA1 GLY 54 -10.694 -8.809 5.458 399 H GLN 55 HN GLN 55 -7.267 -8.089 5.961 400 HA GLN 55 HA GLN 55 -6.621 -10.022 3.880 401 HB2 GLN 55 HB2 GLN 55 -4.988 -7.899 5.273 402 HB3 GLN 55 HB1 GLN 55 -4.308 -9.020 4.101 403 HG2 GLN 55 HG2 GLN 55 -6.611 -7.188 3.493 404 HG3 GLN 55 HG1 GLN 55 -4.924 -6.759 3.215 405 HE21 GLN 55 HE21 GLN 55 -5.225 -6.577 1.002 406 HE22 GLN 55 HE22 GLN 55 -5.447 -7.952 -0.018 407 H ASP 56 HN ASP 56 -5.687 -11.940 4.228 408 HA ASP 56 HA ASP 56 -5.472 -12.976 6.849 409 HB2 ASP 56 HB2 ASP 56 -4.508 -14.080 4.212 410 HB3 ASP 56 HB1 ASP 56 -4.497 -14.980 5.725 411 H SER 57 HN SER 57 -2.859 -13.119 4.506 412 HA SER 57 HA SER 57 -1.032 -11.723 6.251 413 HB2 SER 57 HB2 SER 57 -0.623 -14.663 5.651 414 HB3 SER 57 HB1 SER 57 0.553 -13.611 6.438 415 HG SER 57 HG SER 57 -0.458 -13.958 8.234 416 H GLY 58 HN GLY 58 0.896 -11.107 5.232 417 HA2 GLY 58 HA2 GLY 58 1.581 -12.028 2.608 418 HA3 GLY 58 HA1 GLY 58 0.802 -10.453 2.572 419 H VAL 59 HN VAL 59 2.640 -9.384 1.826 420 HA VAL 59 HA VAL 59 5.207 -9.612 2.945 421 HB VAL 59 HB VAL 59 4.032 -7.180 1.588 422 HG11 VAL 59 HG11 VAL 59 6.399 -6.774 0.939 423 HG12 VAL 59 HG12 VAL 59 6.874 -8.090 2.013 424 HG13 VAL 59 HG13 VAL 59 6.103 -6.647 2.672 425 HG21 VAL 59 HG21 VAL 59 4.997 -8.115 -0.479 426 HG22 VAL 59 HG22 VAL 59 3.721 -9.133 0.188 427 HG23 VAL 59 HG23 VAL 59 5.412 -9.586 0.401 428 H TRP 60 HN TRP 60 6.366 -8.052 4.248 429 HA TRP 60 HA TRP 60 4.788 -7.191 6.511 430 HB2 TRP 60 HB2 TRP 60 7.764 -7.000 5.995 431 HB3 TRP 60 HB1 TRP 60 6.970 -6.632 7.523 432 HD1 TRP 60 HD1 TRP 60 6.065 -8.702 8.969 433 HE1 TRP 60 HE1 TRP 60 6.663 -11.205 8.935 434 HE3 TRP 60 HE3 TRP 60 8.433 -8.910 4.442 435 HZ2 TRP 60 HZ2 TRP 60 7.966 -13.026 7.216 436 HZ3 TRP 60 HZ3 TRP 60 9.326 -11.070 3.677 437 HH2 TRP 60 HH2 TRP 60 9.097 -13.085 5.036 438 H GLY 61 HN GLY 61 3.702 -5.332 6.315 439 HA2 GLY 61 HA2 GLY 61 4.798 -2.844 6.377 440 HA3 GLY 61 HA1 GLY 61 4.654 -3.177 4.657 441 H GLY 62 HN GLY 62 2.221 -4.745 4.928 442 HA2 GLY 62 HA2 GLY 62 -0.064 -4.492 5.251 443 HA3 GLY 62 HA1 GLY 62 0.251 -3.006 6.133 444 H MET 63 HN MET 63 -1.027 -4.284 3.359 445 HA MET 63 HA MET 63 -1.154 -1.635 2.129 446 HB2 MET 63 HB2 MET 63 0.672 -3.179 1.106 447 HB3 MET 63 HB1 MET 63 -0.686 -4.034 0.389 448 HG2 MET 63 HG2 MET 63 0.216 -2.440 -1.173 449 HG3 MET 63 HG1 MET 63 -1.411 -1.963 -0.692 450 HE1 MET 63 HE1 MET 63 -1.794 -0.039 1.312 451 HE2 MET 63 HE2 MET 63 -1.936 0.378 -0.395 452 HE3 MET 63 HE3 MET 63 -1.077 1.453 0.707 453 H SER 64 HN SER 64 -2.916 -1.472 0.519 454 HA SER 64 HA SER 64 -5.236 -2.880 1.462 455 HB2 SER 64 HB2 SER 64 -6.490 -1.331 0.040 456 HB3 SER 64 HB1 SER 64 -5.330 -0.456 1.039 457 HG SER 64 HG SER 64 -5.565 -0.256 -1.516 458 H GLU 65 HN GLU 65 -6.701 -3.955 0.137 459 HA GLU 65 HA GLU 65 -5.589 -5.856 -1.605 460 HB2 GLU 65 HB2 GLU 65 -7.651 -6.270 -0.346 461 HB3 GLU 65 HB1 GLU 65 -8.480 -5.029 -1.275 462 HG2 GLU 65 HG2 GLU 65 -8.171 -6.348 -3.310 463 HG3 GLU 65 HG1 GLU 65 -7.349 -7.594 -2.372 464 H ASP 66 HN ASP 66 -7.248 -2.806 -2.163 465 HA ASP 66 HA ASP 66 -7.560 -3.031 -4.945 466 HB2 ASP 66 HB2 ASP 66 -7.200 -0.563 -3.234 467 HB3 ASP 66 HB1 ASP 66 -7.716 -0.546 -4.917 468 H GLU 67 HN GLU 67 -4.908 -2.067 -2.920 469 HA GLU 67 HA GLU 67 -3.234 -1.002 -4.935 470 HB2 GLU 67 HB2 GLU 67 -2.928 -0.672 -2.469 471 HB3 GLU 67 HB1 GLU 67 -2.408 -2.346 -2.352 472 HG2 GLU 67 HG2 GLU 67 -1.043 -0.250 -4.020 473 HG3 GLU 67 HG1 GLU 67 -0.552 -0.717 -2.397 474 H ARG 68 HN ARG 68 -3.703 -4.227 -3.589 475 HA ARG 68 HA ARG 68 -1.590 -5.522 -4.906 476 HB2 ARG 68 HB2 ARG 68 -4.277 -6.640 -4.078 477 HB3 ARG 68 HB1 ARG 68 -2.867 -7.597 -4.511 478 HG2 ARG 68 HG2 ARG 68 -1.649 -6.658 -2.609 479 HG3 ARG 68 HG1 ARG 68 -3.073 -5.709 -2.173 480 HD2 ARG 68 HD2 ARG 68 -2.916 -7.730 -0.815 481 HD3 ARG 68 HD1 ARG 68 -4.348 -7.766 -1.844 482 HE ARG 68 HE ARG 68 -2.283 -9.063 -3.200 483 HH11 ARG 68 HH11 ARG 68 -4.221 -9.499 -0.331 484 HH12 ARG 68 HH12 ARG 68 -4.120 -11.227 -0.375 485 HH21 ARG 68 HH21 ARG 68 -2.149 -11.336 -3.259 486 HH22 ARG 68 HH22 ARG 68 -2.944 -12.270 -2.036 487 H ARG 69 HN ARG 69 -4.868 -4.738 -5.903 488 HA ARG 69 HA ARG 69 -4.870 -6.232 -8.310 489 HB2 ARG 69 HB2 ARG 69 -6.932 -5.405 -7.255 490 HB3 ARG 69 HB1 ARG 69 -6.436 -3.749 -7.573 491 HG2 ARG 69 HG2 ARG 69 -7.904 -4.127 -9.291 492 HG3 ARG 69 HG1 ARG 69 -6.368 -4.536 -10.054 493 HD2 ARG 69 HD2 ARG 69 -8.224 -6.537 -8.778 494 HD3 ARG 69 HD1 ARG 69 -8.195 -6.169 -10.501 495 HE ARG 69 HE ARG 69 -5.635 -6.834 -10.000 496 HH11 ARG 69 HH11 ARG 69 -8.664 -8.404 -9.258 497 HH12 ARG 69 HH12 ARG 69 -7.998 -10.000 -9.331 498 HH21 ARG 69 HH21 ARG 69 -4.760 -8.936 -10.098 499 HH22 ARG 69 HH22 ARG 69 -5.783 -10.303 -9.806 500 H ALA 70 HN ALA 70 -3.915 -2.955 -7.474 501 HA ALA 70 HA ALA 70 -3.514 -1.911 -10.041 502 HB1 ALA 70 HB1 ALA 70 -3.569 -0.483 -8.124 503 HB2 ALA 70 HB2 ALA 70 -1.997 -0.313 -8.906 504 HB3 ALA 70 HB3 ALA 70 -2.154 -1.278 -7.438 505 H LEU 71 HN LEU 71 -1.355 -3.671 -7.898 506 HA LEU 71 HA LEU 71 0.928 -3.477 -9.595 507 HB2 LEU 71 HB2 LEU 71 1.083 -3.843 -7.160 508 HB3 LEU 71 HB1 LEU 71 0.375 -5.433 -7.366 509 HG LEU 71 HG LEU 71 2.874 -4.773 -8.862 510 HD11 LEU 71 HD11 LEU 71 4.204 -5.557 -6.941 511 HD12 LEU 71 HD12 LEU 71 2.748 -5.519 -5.946 512 HD13 LEU 71 HD13 LEU 71 3.390 -4.024 -6.627 513 HD21 LEU 71 HD21 LEU 71 3.278 -7.204 -8.337 514 HD22 LEU 71 HD22 LEU 71 1.900 -6.873 -9.383 515 HD23 LEU 71 HD23 LEU 71 1.641 -7.253 -7.680 516 H LYS 72 HN LYS 72 -1.532 -5.968 -9.045 517 HA LYS 72 HA LYS 72 -0.379 -7.941 -10.682 518 HB2 LYS 72 HB2 LYS 72 -3.255 -7.442 -9.913 519 HB3 LYS 72 HB1 LYS 72 -2.721 -8.862 -10.800 520 HG2 LYS 72 HG2 LYS 72 -1.690 -8.089 -8.081 521 HG3 LYS 72 HG1 LYS 72 -3.017 -9.219 -8.356 522 HD2 LYS 72 HD2 LYS 72 -0.433 -9.679 -9.766 523 HD3 LYS 72 HD1 LYS 72 -0.535 -10.059 -8.047 524 HE2 LYS 72 HE2 LYS 72 -1.032 -12.008 -9.453 525 HE3 LYS 72 HE1 LYS 72 -2.410 -11.542 -8.457 526 HZ1 LYS 72 HZ1 LYS 72 -2.098 -10.702 -11.283 527 HZ2 LYS 72 HZ2 LYS 72 -3.481 -10.583 -10.316 528 HZ3 LYS 72 HZ3 LYS 72 -2.932 -12.100 -10.822 529 H ARG 73 HN ARG 73 -2.397 -5.198 -11.354 530 HA ARG 73 HA ARG 73 -2.999 -5.888 -14.052 531 HB2 ARG 73 HB2 ARG 73 -3.133 -3.307 -12.503 532 HB3 ARG 73 HB1 ARG 73 -3.537 -3.388 -14.211 533 HG2 ARG 73 HG2 ARG 73 -4.879 -4.986 -12.040 534 HG3 ARG 73 HG1 ARG 73 -5.512 -3.502 -12.754 535 HD2 ARG 73 HD2 ARG 73 -4.962 -6.088 -14.207 536 HD3 ARG 73 HD1 ARG 73 -6.549 -5.466 -13.758 537 HE ARG 73 HE ARG 73 -5.247 -3.532 -15.305 538 HH11 ARG 73 HH11 ARG 73 -6.604 -6.730 -15.650 539 HH12 ARG 73 HH12 ARG 73 -6.996 -6.518 -17.324 540 HH21 ARG 73 HH21 ARG 73 -5.762 -3.253 -17.507 541 HH22 ARG 73 HH22 ARG 73 -6.518 -4.545 -18.378 542 H ARG 74 HN ARG 74 -0.429 -4.136 -12.440 543 HA ARG 74 HA ARG 74 0.747 -2.956 -14.714 544 HB2 ARG 74 HB2 ARG 74 1.309 -2.267 -12.426 545 HB3 ARG 74 HB1 ARG 74 2.042 -3.835 -12.126 546 HG2 ARG 74 HG2 ARG 74 3.729 -2.145 -12.562 547 HG3 ARG 74 HG1 ARG 74 3.732 -3.379 -13.824 548 HD2 ARG 74 HD2 ARG 74 2.421 -1.896 -15.267 549 HD3 ARG 74 HD1 ARG 74 2.421 -0.667 -14.004 550 HE ARG 74 HE ARG 74 4.632 -0.184 -14.490 551 HH11 ARG 74 HH11 ARG 74 3.588 -2.979 -16.308 552 HH12 ARG 74 HH12 ARG 74 4.952 -2.948 -17.373 553 HH21 ARG 74 HH21 ARG 74 6.425 -0.148 -15.890 554 HH22 ARG 74 HH22 ARG 74 6.562 -1.344 -17.135 555 H ASN 75 HN ASN 75 1.276 -6.065 -13.106 556 HA ASN 75 HA ASN 75 3.390 -6.878 -14.837 557 HB2 ASN 75 HB2 ASN 75 1.606 -8.468 -12.983 558 HB3 ASN 75 HB1 ASN 75 3.000 -9.134 -13.830 559 HD21 ASN 75 HD21 ASN 75 5.069 -8.514 -13.213 560 HD22 ASN 75 HD22 ASN 75 5.382 -7.743 -11.699 561 H ALA 76 HN ALA 76 -0.098 -7.361 -14.786 562 HA ALA 76 HA ALA 76 0.029 -9.042 -17.167 563 HB1 ALA 76 HB1 ALA 76 -1.475 -9.700 -15.349 564 HB2 ALA 76 HB2 ALA 76 -2.363 -9.367 -16.836 565 HB3 ALA 76 HB3 ALA 76 -2.355 -8.182 -15.530 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 8.209 6.821 17.550 2 H2 MET 1 HT2 MET 1 8.370 8.201 16.587 3 H3 MET 1 HT3 MET 1 9.735 7.508 17.304 4 HA MET 1 HA MET 1 9.749 6.913 15.027 5 HB2 MET 1 HB2 MET 1 8.788 4.604 16.728 6 HB3 MET 1 HB1 MET 1 9.642 4.454 15.198 7 HG2 MET 1 HG2 MET 1 11.590 5.554 16.174 8 HG3 MET 1 HG1 MET 1 10.733 5.708 17.707 9 HE1 MET 1 HE1 MET 1 12.257 3.206 15.090 10 HE2 MET 1 HE2 MET 1 10.586 2.659 15.229 11 HE3 MET 1 HE3 MET 1 11.897 1.650 15.841 12 H ASP 2 HN ASP 2 6.621 6.685 16.504 13 HA ASP 2 HA ASP 2 5.187 5.344 14.525 14 HB2 ASP 2 HB2 ASP 2 3.204 6.505 15.421 15 HB3 ASP 2 HB1 ASP 2 4.226 5.872 16.708 16 H TRP 3 HN TRP 3 6.323 8.649 14.687 17 HA TRP 3 HA TRP 3 4.738 9.703 12.598 18 HB2 TRP 3 HB2 TRP 3 6.593 11.439 12.464 19 HB3 TRP 3 HB1 TRP 3 5.814 11.261 14.035 20 HD1 TRP 3 HD1 TRP 3 7.263 10.212 16.015 21 HE1 TRP 3 HE1 TRP 3 9.795 9.908 16.321 22 HE3 TRP 3 HE3 TRP 3 8.760 10.954 11.183 23 HZ2 TRP 3 HZ2 TRP 3 12.128 9.981 14.729 24 HZ3 TRP 3 HZ3 TRP 3 11.161 10.821 10.660 25 HH2 TRP 3 HH2 TRP 3 12.808 10.345 12.397 26 H ARG 4 HN ARG 4 7.862 8.074 12.662 27 HA ARG 4 HA ARG 4 8.493 8.492 9.928 28 HB2 ARG 4 HB2 ARG 4 10.197 7.908 11.591 29 HB3 ARG 4 HB1 ARG 4 9.439 6.339 11.830 30 HG2 ARG 4 HG2 ARG 4 9.940 5.742 9.514 31 HG3 ARG 4 HG1 ARG 4 10.704 7.315 9.276 32 HD2 ARG 4 HD2 ARG 4 11.577 5.195 11.236 33 HD3 ARG 4 HD1 ARG 4 12.365 5.573 9.705 34 HE ARG 4 HE ARG 4 12.479 7.114 12.163 35 HH11 ARG 4 HH11 ARG 4 13.135 7.017 8.733 36 HH12 ARG 4 HH12 ARG 4 14.319 8.277 8.801 37 HH21 ARG 4 HH21 ARG 4 14.034 8.773 12.247 38 HH22 ARG 4 HH22 ARG 4 14.829 9.274 10.792 39 H HIS 5 HN HIS 5 6.830 5.912 11.681 40 HA HIS 5 HA HIS 5 6.635 4.100 9.535 41 HB2 HIS 5 HB2 HIS 5 4.853 4.487 11.950 42 HB3 HIS 5 HB1 HIS 5 4.724 3.129 10.836 43 HD1 HIS 5 HD1 HIS 5 6.898 1.549 10.724 44 HD2 HIS 5 HD2 HIS 5 6.666 4.143 13.959 45 HE1 HIS 5 HE1 HIS 5 8.549 0.673 12.408 46 HE2 HIS 5 HE2 HIS 5 8.455 2.310 14.321 47 H LYS 6 HN LYS 6 4.671 6.840 10.524 48 HA LYS 6 HA LYS 6 2.771 6.287 8.388 49 HB2 LYS 6 HB2 LYS 6 2.828 8.559 10.387 50 HB3 LYS 6 HB1 LYS 6 1.512 8.197 9.277 51 HG2 LYS 6 HG2 LYS 6 2.457 6.464 11.550 52 HG3 LYS 6 HG1 LYS 6 0.980 7.430 11.506 53 HD2 LYS 6 HD2 LYS 6 0.208 6.089 9.576 54 HD3 LYS 6 HD1 LYS 6 1.650 5.084 9.732 55 HE2 LYS 6 HE2 LYS 6 -0.226 4.001 10.807 56 HE3 LYS 6 HE1 LYS 6 0.962 4.487 12.015 57 HZ1 LYS 6 HZ1 LYS 6 -1.294 4.993 12.723 58 HZ2 LYS 6 HZ2 LYS 6 -1.529 5.965 11.359 59 HZ3 LYS 6 HZ3 LYS 6 -0.394 6.414 12.530 60 H ALA 7 HN ALA 7 5.703 7.686 8.782 61 HA ALA 7 HA ALA 7 5.468 10.026 7.192 62 HB1 ALA 7 HB1 ALA 7 7.879 10.042 7.142 63 HB2 ALA 7 HB2 ALA 7 7.944 8.363 7.671 64 HB3 ALA 7 HB3 ALA 7 7.355 9.610 8.768 65 H VAL 8 HN VAL 8 6.477 6.695 6.633 66 HA VAL 8 HA VAL 8 6.670 7.147 3.801 67 HB VAL 8 HB VAL 8 6.624 4.395 4.993 68 HG11 VAL 8 HG11 VAL 8 8.230 3.965 3.185 69 HG12 VAL 8 HG12 VAL 8 8.153 5.663 2.715 70 HG13 VAL 8 HG13 VAL 8 6.724 4.640 2.563 71 HG21 VAL 8 HG21 VAL 8 8.942 6.333 5.083 72 HG22 VAL 8 HG22 VAL 8 9.069 4.601 5.386 73 HG23 VAL 8 HG23 VAL 8 8.112 5.617 6.464 74 H CYS 9 HN CYS 9 4.242 6.287 6.102 75 HA CYS 9 HA CYS 9 2.392 4.864 4.584 76 HB2 CYS 9 HB2 CYS 9 2.202 6.784 6.833 77 HB3 CYS 9 HB1 CYS 9 0.746 6.606 5.880 78 H ARG 10 HN ARG 10 2.271 8.354 5.143 79 HA ARG 10 HA ARG 10 0.601 8.883 2.911 80 HB2 ARG 10 HB2 ARG 10 2.081 10.582 4.879 81 HB3 ARG 10 HB1 ARG 10 1.340 11.322 3.467 82 HG2 ARG 10 HG2 ARG 10 -0.132 11.452 5.388 83 HG3 ARG 10 HG1 ARG 10 -0.833 10.430 4.132 84 HD2 ARG 10 HD2 ARG 10 -0.054 8.439 5.341 85 HD3 ARG 10 HD1 ARG 10 0.607 9.475 6.604 86 HE ARG 10 HE ARG 10 -2.107 10.085 6.271 87 HH11 ARG 10 HH11 ARG 10 -0.085 7.492 7.441 88 HH12 ARG 10 HH12 ARG 10 -1.273 6.903 8.555 89 HH21 ARG 10 HH21 ARG 10 -3.668 9.312 7.738 90 HH22 ARG 10 HH22 ARG 10 -3.305 7.936 8.724 91 H ASP 11 HN ASP 11 4.017 8.660 3.258 92 HA ASP 11 HA ASP 11 4.587 10.251 0.913 93 HB2 ASP 11 HB2 ASP 11 6.308 8.640 2.777 94 HB3 ASP 11 HB1 ASP 11 6.951 9.338 1.296 95 H GLU 12 HN GLU 12 3.096 7.458 1.035 96 HA GLU 12 HA GLU 12 4.697 5.900 -0.778 97 HB2 GLU 12 HB2 GLU 12 2.689 5.385 1.083 98 HB3 GLU 12 HB1 GLU 12 1.911 5.080 -0.455 99 HG2 GLU 12 HG2 GLU 12 2.775 3.018 0.094 100 HG3 GLU 12 HG1 GLU 12 4.022 3.675 -0.964 101 H ASP 13 HN ASP 13 1.994 5.144 -2.187 102 HA ASP 13 HA ASP 13 2.124 7.378 -4.087 103 HB2 ASP 13 HB2 ASP 13 2.810 4.993 -4.860 104 HB3 ASP 13 HB1 ASP 13 1.083 4.639 -4.855 105 HA PRO 14 HA PRO 14 -2.016 8.370 -2.742 106 HB2 PRO 14 HB2 PRO 14 -2.652 9.748 -5.096 107 HB3 PRO 14 HB1 PRO 14 -1.953 10.460 -3.639 108 HG2 PRO 14 HG2 PRO 14 -0.618 9.602 -6.160 109 HG3 PRO 14 HG1 PRO 14 -0.244 10.971 -5.097 110 HD2 PRO 14 HD2 PRO 14 1.257 8.750 -5.103 111 HD3 PRO 14 HD1 PRO 14 0.938 9.647 -3.602 112 H GLU 15 HN GLU 15 -1.068 6.869 -5.722 113 HA GLU 15 HA GLU 15 -3.652 6.101 -6.598 114 HB2 GLU 15 HB2 GLU 15 -0.932 4.931 -7.275 115 HB3 GLU 15 HB1 GLU 15 -2.430 4.615 -8.142 116 HG2 GLU 15 HG2 GLU 15 -1.087 7.293 -7.883 117 HG3 GLU 15 HG1 GLU 15 -1.049 6.245 -9.300 118 H LEU 16 HN LEU 16 -1.501 4.881 -4.190 119 HA LEU 16 HA LEU 16 -2.464 2.201 -4.160 120 HB2 LEU 16 HB2 LEU 16 -1.063 3.788 -1.999 121 HB3 LEU 16 HB1 LEU 16 -1.369 2.063 -1.928 122 HG LEU 16 HG LEU 16 0.712 3.539 -3.387 123 HD11 LEU 16 HD11 LEU 16 1.885 1.378 -3.275 124 HD12 LEU 16 HD12 LEU 16 0.447 0.659 -2.529 125 HD13 LEU 16 HD13 LEU 16 1.331 1.929 -1.681 126 HD21 LEU 16 HD21 LEU 16 -0.562 2.972 -5.302 127 HD22 LEU 16 HD22 LEU 16 -0.846 1.347 -4.685 128 HD23 LEU 16 HD23 LEU 16 0.773 1.828 -5.173 129 H PHE 17 HN PHE 17 -3.877 5.100 -3.258 130 HA PHE 17 HA PHE 17 -5.715 3.776 -1.395 131 HB2 PHE 17 HB2 PHE 17 -5.347 6.719 -2.009 132 HB3 PHE 17 HB1 PHE 17 -6.470 6.058 -0.825 133 HD1 PHE 17 HD1 PHE 17 -2.969 6.764 -1.586 134 HD2 PHE 17 HD2 PHE 17 -5.680 5.170 1.279 135 HE1 PHE 17 HE1 PHE 17 -1.204 6.849 0.125 136 HE2 PHE 17 HE2 PHE 17 -3.920 5.253 2.997 137 HZ PHE 17 HZ PHE 17 -1.678 6.094 2.421 138 H PHE 18 HN PHE 18 -5.396 4.624 -4.631 139 HA PHE 18 HA PHE 18 -8.305 4.416 -5.019 140 HB2 PHE 18 HB2 PHE 18 -6.436 6.295 -6.472 141 HB3 PHE 18 HB1 PHE 18 -8.115 6.010 -6.918 142 HD1 PHE 18 HD1 PHE 18 -5.983 7.175 -4.108 143 HD2 PHE 18 HD2 PHE 18 -9.807 7.283 -5.971 144 HE1 PHE 18 HE1 PHE 18 -6.690 8.940 -2.546 145 HE2 PHE 18 HE2 PHE 18 -10.521 9.049 -4.414 146 HZ PHE 18 HZ PHE 18 -8.961 9.880 -2.699 147 HA PRO 19 HA PRO 19 -6.899 0.970 -7.535 148 HB2 PRO 19 HB2 PRO 19 -9.682 1.042 -8.537 149 HB3 PRO 19 HB1 PRO 19 -8.790 -0.283 -7.786 150 HG2 PRO 19 HG2 PRO 19 -10.722 1.012 -6.469 151 HG3 PRO 19 HG1 PRO 19 -9.264 0.430 -5.645 152 HD2 PRO 19 HD2 PRO 19 -9.972 3.203 -6.516 153 HD3 PRO 19 HD1 PRO 19 -9.150 2.659 -5.039 154 H VAL 20 HN VAL 20 -6.188 0.760 -9.604 155 HA VAL 20 HA VAL 20 -6.224 3.019 -11.316 156 HB VAL 20 HB VAL 20 -5.422 0.205 -12.052 157 HG11 VAL 20 HG11 VAL 20 -3.939 1.383 -13.655 158 HG12 VAL 20 HG12 VAL 20 -4.715 2.898 -13.204 159 HG13 VAL 20 HG13 VAL 20 -5.654 1.622 -13.979 160 HG21 VAL 20 HG21 VAL 20 -3.929 2.378 -10.621 161 HG22 VAL 20 HG22 VAL 20 -3.098 1.101 -11.508 162 HG23 VAL 20 HG23 VAL 20 -4.144 0.693 -10.147 163 H GLY 21 HN GLY 21 -7.044 3.152 -13.460 164 HA2 GLY 21 HA2 GLY 21 -8.777 1.300 -14.641 165 HA3 GLY 21 HA1 GLY 21 -9.749 2.411 -13.692 166 H ASN 22 HN ASN 22 -7.489 4.475 -14.402 167 HA ASN 22 HA ASN 22 -8.524 5.054 -17.094 168 HB2 ASN 22 HB2 ASN 22 -7.917 7.027 -14.887 169 HB3 ASN 22 HB1 ASN 22 -8.417 7.451 -16.522 170 HD21 ASN 22 HD21 ASN 22 -10.534 7.062 -17.168 171 HD22 ASN 22 HD22 ASN 22 -11.798 6.756 -16.030 172 H SER 23 HN SER 23 -5.693 4.590 -15.200 173 HA SER 23 HA SER 23 -4.108 5.504 -17.493 174 HB2 SER 23 HB2 SER 23 -2.466 6.570 -15.992 175 HB3 SER 23 HB1 SER 23 -4.051 7.340 -15.883 176 HG SER 23 HG SER 23 -4.343 6.485 -13.914 177 H GLY 24 HN GLY 24 -2.035 4.622 -17.683 178 HA2 GLY 24 HA2 GLY 24 -1.761 1.967 -16.523 179 HA3 GLY 24 HA1 GLY 24 -0.803 2.632 -17.840 180 HA PRO 25 HA PRO 25 2.397 4.371 -15.252 181 HB2 PRO 25 HB2 PRO 25 0.925 6.916 -14.712 182 HB3 PRO 25 HB1 PRO 25 2.601 6.679 -15.227 183 HG2 PRO 25 HG2 PRO 25 0.760 7.462 -16.973 184 HG3 PRO 25 HG1 PRO 25 2.005 6.287 -17.436 185 HD2 PRO 25 HD2 PRO 25 -0.877 5.851 -16.815 186 HD3 PRO 25 HD1 PRO 25 0.160 5.021 -17.991 187 H ALA 26 HN ALA 26 -0.874 4.664 -14.115 188 HA ALA 26 HA ALA 26 -0.353 5.155 -11.400 189 HB1 ALA 26 HB1 ALA 26 -2.643 4.554 -12.949 190 HB2 ALA 26 HB2 ALA 26 -2.570 5.120 -11.278 191 HB3 ALA 26 HB3 ALA 26 -2.593 3.387 -11.618 192 H LEU 27 HN LEU 27 -0.270 2.239 -13.300 193 HA LEU 27 HA LEU 27 -0.084 0.413 -11.135 194 HB2 LEU 27 HB2 LEU 27 0.862 0.256 -13.987 195 HB3 LEU 27 HB1 LEU 27 0.975 -1.084 -12.866 196 HG LEU 27 HG LEU 27 -0.944 -1.481 -14.200 197 HD11 LEU 27 HD11 LEU 27 -1.298 -1.997 -11.881 198 HD12 LEU 27 HD12 LEU 27 -2.791 -1.350 -12.562 199 HD13 LEU 27 HD13 LEU 27 -1.772 -0.334 -11.542 200 HD21 LEU 27 HD21 LEU 27 -2.718 0.132 -14.523 201 HD22 LEU 27 HD22 LEU 27 -1.182 0.801 -15.065 202 HD23 LEU 27 HD23 LEU 27 -1.867 1.307 -13.521 203 H ALA 28 HN ALA 28 2.275 2.137 -13.090 204 HA ALA 28 HA ALA 28 4.541 0.976 -11.818 205 HB1 ALA 28 HB1 ALA 28 5.834 2.716 -12.943 206 HB2 ALA 28 HB2 ALA 28 4.342 3.556 -13.368 207 HB3 ALA 28 HB3 ALA 28 4.685 1.968 -14.054 208 H GLN 29 HN GLN 29 2.549 3.766 -11.285 209 HA GLN 29 HA GLN 29 4.265 5.032 -9.350 210 HB2 GLN 29 HB2 GLN 29 1.585 5.455 -10.490 211 HB3 GLN 29 HB1 GLN 29 1.689 5.894 -8.791 212 HG2 GLN 29 HG2 GLN 29 2.123 7.775 -10.329 213 HG3 GLN 29 HG1 GLN 29 3.458 7.446 -9.226 214 HE21 GLN 29 HE21 GLN 29 4.950 8.451 -10.559 215 HE22 GLN 29 HE22 GLN 29 5.491 7.746 -12.040 216 H ILE 30 HN ILE 30 1.295 3.187 -9.182 217 HA ILE 30 HA ILE 30 1.117 2.828 -6.475 218 HB ILE 30 HB ILE 30 0.198 1.124 -8.776 219 HG12 ILE 30 HG12 ILE 30 -1.487 2.861 -7.006 220 HG13 ILE 30 HG11 ILE 30 -0.587 3.543 -8.355 221 HG21 ILE 30 HG21 ILE 30 -1.359 0.797 -6.395 222 HG22 ILE 30 HG22 ILE 30 0.316 0.339 -6.111 223 HG23 ILE 30 HG23 ILE 30 -0.597 -0.421 -7.421 224 HD11 ILE 30 HD11 ILE 30 -3.028 1.947 -8.335 225 HD12 ILE 30 HD12 ILE 30 -1.849 1.480 -9.561 226 HD13 ILE 30 HD13 ILE 30 -2.450 3.137 -9.500 227 H ALA 31 HN ALA 31 2.762 0.899 -8.879 228 HA ALA 31 HA ALA 31 3.455 -1.280 -7.258 229 HB1 ALA 31 HB1 ALA 31 3.604 -1.336 -9.700 230 HB2 ALA 31 HB2 ALA 31 5.137 -1.787 -8.953 231 HB3 ALA 31 HB3 ALA 31 4.935 -0.179 -9.647 232 H ASP 32 HN ASP 32 4.753 1.907 -7.528 233 HA ASP 32 HA ASP 32 7.335 1.271 -6.436 234 HB2 ASP 32 HB2 ASP 32 5.956 3.920 -6.907 235 HB3 ASP 32 HB1 ASP 32 7.592 3.764 -6.276 236 H ALA 33 HN ALA 33 4.353 2.717 -5.347 237 HA ALA 33 HA ALA 33 5.249 3.161 -2.690 238 HB1 ALA 33 HB1 ALA 33 3.464 4.478 -3.311 239 HB2 ALA 33 HB2 ALA 33 2.713 3.278 -2.268 240 HB3 ALA 33 HB3 ALA 33 2.573 3.137 -4.021 241 H LYS 34 HN LYS 34 3.683 0.521 -4.374 242 HA LYS 34 HA LYS 34 2.951 -1.034 -2.162 243 HB2 LYS 34 HB2 LYS 34 2.122 -1.527 -4.386 244 HB3 LYS 34 HB1 LYS 34 3.750 -1.857 -4.959 245 HG2 LYS 34 HG2 LYS 34 2.721 -3.470 -2.690 246 HG3 LYS 34 HG1 LYS 34 2.079 -3.790 -4.303 247 HD2 LYS 34 HD2 LYS 34 4.453 -3.988 -5.099 248 HD3 LYS 34 HD1 LYS 34 4.956 -3.911 -3.410 249 HE2 LYS 34 HE2 LYS 34 3.605 -5.899 -2.927 250 HE3 LYS 34 HE1 LYS 34 3.122 -5.976 -4.621 251 HZ1 LYS 34 HZ1 LYS 34 4.928 -7.505 -4.146 252 HZ2 LYS 34 HZ2 LYS 34 5.900 -6.232 -3.602 253 HZ3 LYS 34 HZ3 LYS 34 5.438 -6.307 -5.227 254 H LEU 35 HN LEU 35 6.005 -0.771 -3.944 255 HA LEU 35 HA LEU 35 7.268 -2.935 -2.566 256 HB2 LEU 35 HB2 LEU 35 8.379 -0.639 -4.173 257 HB3 LEU 35 HB1 LEU 35 9.373 -1.915 -3.502 258 HG LEU 35 HG LEU 35 8.939 -3.281 -5.213 259 HD11 LEU 35 HD11 LEU 35 6.713 -3.840 -6.017 260 HD12 LEU 35 HD12 LEU 35 6.026 -2.508 -5.091 261 HD13 LEU 35 HD13 LEU 35 6.766 -3.871 -4.255 262 HD21 LEU 35 HD21 LEU 35 7.714 -2.089 -7.200 263 HD22 LEU 35 HD22 LEU 35 9.319 -1.572 -6.684 264 HD23 LEU 35 HD23 LEU 35 7.895 -0.665 -6.172 265 H VAL 36 HN VAL 36 7.309 0.584 -2.202 266 HA VAL 36 HA VAL 36 9.179 0.619 -0.061 267 HB VAL 36 HB VAL 36 7.115 2.700 -0.802 268 HG11 VAL 36 HG11 VAL 36 9.614 2.926 0.874 269 HG12 VAL 36 HG12 VAL 36 7.954 3.010 1.464 270 HG13 VAL 36 HG13 VAL 36 8.574 4.266 0.393 271 HG21 VAL 36 HG21 VAL 36 10.021 2.502 -1.584 272 HG22 VAL 36 HG22 VAL 36 8.895 3.778 -2.044 273 HG23 VAL 36 HG23 VAL 36 8.656 2.136 -2.638 274 H CYS 37 HN CYS 37 5.637 0.727 -0.174 275 HA CYS 37 HA CYS 37 5.192 1.053 2.582 276 HB2 CYS 37 HB2 CYS 37 3.479 1.387 0.809 277 HB3 CYS 37 HB1 CYS 37 3.426 -0.352 0.564 278 H ASN 38 HN ASN 38 5.800 -1.781 0.610 279 HA ASN 38 HA ASN 38 5.180 -3.630 2.730 280 HB2 ASN 38 HB2 ASN 38 6.414 -3.999 0.000 281 HB3 ASN 38 HB1 ASN 38 6.141 -5.326 1.124 282 HD21 ASN 38 HD21 ASN 38 5.010 -4.899 -1.510 283 HD22 ASN 38 HD22 ASN 38 3.296 -4.856 -1.302 284 H ARG 39 HN ARG 39 8.037 -2.043 1.478 285 HA ARG 39 HA ARG 39 9.766 -3.713 3.143 286 HB2 ARG 39 HB2 ARG 39 10.431 -1.539 1.151 287 HB3 ARG 39 HB1 ARG 39 11.620 -2.476 2.047 288 HG2 ARG 39 HG2 ARG 39 10.829 -4.519 0.978 289 HG3 ARG 39 HG1 ARG 39 9.622 -3.590 0.089 290 HD2 ARG 39 HD2 ARG 39 11.569 -4.055 -1.303 291 HD3 ARG 39 HD1 ARG 39 11.397 -2.324 -1.011 292 HE ARG 39 HE ARG 39 13.109 -3.380 0.933 293 HH11 ARG 39 HH11 ARG 39 13.045 -2.811 -2.510 294 HH12 ARG 39 HH12 ARG 39 14.760 -2.620 -2.637 295 HH21 ARG 39 HH21 ARG 39 15.367 -3.129 0.768 296 HH22 ARG 39 HH22 ARG 39 16.080 -2.801 -0.777 297 H CYS 40 HN CYS 40 7.994 -0.911 3.486 298 HA CYS 40 HA CYS 40 9.847 0.598 5.068 299 HB2 CYS 40 HB2 CYS 40 8.320 2.074 4.261 300 HB3 CYS 40 HB1 CYS 40 7.050 0.866 4.163 301 HA PRO 41 HA PRO 41 9.813 -1.222 9.067 302 HB2 PRO 41 HB2 PRO 41 8.573 1.376 9.909 303 HB3 PRO 41 HB1 PRO 41 9.876 0.459 10.675 304 HG2 PRO 41 HG2 PRO 41 10.414 2.580 9.152 305 HG3 PRO 41 HG1 PRO 41 11.451 1.143 9.119 306 HD2 PRO 41 HD2 PRO 41 9.550 2.141 7.083 307 HD3 PRO 41 HD1 PRO 41 10.980 1.111 6.885 308 H VAL 42 HN VAL 42 8.355 -2.815 9.249 309 HA VAL 42 HA VAL 42 5.538 -2.427 8.984 310 HB VAL 42 HB VAL 42 6.604 -4.538 8.338 311 HG11 VAL 42 HG11 VAL 42 7.357 -6.123 10.050 312 HG12 VAL 42 HG12 VAL 42 7.091 -4.900 11.293 313 HG13 VAL 42 HG13 VAL 42 8.323 -4.648 10.056 314 HG21 VAL 42 HG21 VAL 42 4.239 -4.556 8.876 315 HG22 VAL 42 HG22 VAL 42 4.606 -4.816 10.581 316 HG23 VAL 42 HG23 VAL 42 4.990 -6.065 9.397 317 H THR 43 HN THR 43 4.016 -2.157 10.489 318 HA THR 43 HA THR 43 4.738 -2.368 13.326 319 HB THR 43 HB THR 43 3.453 -0.341 13.830 320 HG1 THR 43 HG1 THR 43 2.956 1.033 11.959 321 HG21 THR 43 HG21 THR 43 5.028 1.296 12.998 322 HG22 THR 43 HG22 THR 43 5.604 0.155 11.784 323 HG23 THR 43 HG23 THR 43 5.871 -0.170 13.497 324 H THR 44 HN THR 44 2.789 -2.202 14.736 325 HA THR 44 HA THR 44 0.932 -4.189 14.179 326 HB THR 44 HB THR 44 0.554 -1.838 16.053 327 HG1 THR 44 HG1 THR 44 2.096 -2.777 17.148 328 HG21 THR 44 HG21 THR 44 -1.519 -3.063 15.624 329 HG22 THR 44 HG22 THR 44 -0.952 -3.347 17.269 330 HG23 THR 44 HG23 THR 44 -0.717 -4.580 16.031 331 H GLU 45 HN GLU 45 1.040 -0.829 13.302 332 HA GLU 45 HA GLU 45 -1.677 -0.333 12.794 333 HB2 GLU 45 HB2 GLU 45 0.851 0.745 11.546 334 HB3 GLU 45 HB1 GLU 45 -0.742 1.307 11.059 335 HG2 GLU 45 HG2 GLU 45 0.274 2.799 12.688 336 HG3 GLU 45 HG1 GLU 45 -1.194 2.060 13.321 337 H CYS 46 HN CYS 46 0.861 -1.643 10.718 338 HA CYS 46 HA CYS 46 -0.805 -1.949 8.430 339 HB2 CYS 46 HB2 CYS 46 1.617 -3.652 8.747 340 HB3 CYS 46 HB1 CYS 46 1.050 -2.751 7.348 341 H LEU 47 HN LEU 47 0.332 -4.197 10.945 342 HA LEU 47 HA LEU 47 -0.865 -6.500 9.809 343 HB2 LEU 47 HB2 LEU 47 -0.042 -5.880 12.641 344 HB3 LEU 47 HB1 LEU 47 -0.658 -7.443 12.140 345 HG LEU 47 HG LEU 47 1.266 -7.494 10.463 346 HD11 LEU 47 HD11 LEU 47 1.888 -5.182 10.477 347 HD12 LEU 47 HD12 LEU 47 3.223 -6.123 11.142 348 HD13 LEU 47 HD13 LEU 47 2.157 -5.219 12.218 349 HD21 LEU 47 HD21 LEU 47 2.851 -8.272 12.165 350 HD22 LEU 47 HD22 LEU 47 1.218 -8.867 12.468 351 HD23 LEU 47 HD23 LEU 47 1.860 -7.527 13.420 352 H SER 48 HN SER 48 -1.922 -4.281 12.352 353 HA SER 48 HA SER 48 -4.341 -5.559 12.954 354 HB2 SER 48 HB2 SER 48 -5.018 -3.420 13.966 355 HB3 SER 48 HB1 SER 48 -3.362 -3.836 14.404 356 HG SER 48 HG SER 48 -2.681 -2.414 12.710 357 H TRP 49 HN TRP 49 -3.486 -3.259 10.485 358 HA TRP 49 HA TRP 49 -6.109 -2.609 9.650 359 HB2 TRP 49 HB2 TRP 49 -4.156 -1.243 9.040 360 HB3 TRP 49 HB1 TRP 49 -3.528 -2.569 8.066 361 HD1 TRP 49 HD1 TRP 49 -4.677 -3.011 5.701 362 HE1 TRP 49 HE1 TRP 49 -6.214 -1.563 4.229 363 HE3 TRP 49 HE3 TRP 49 -6.049 0.496 9.159 364 HZ2 TRP 49 HZ2 TRP 49 -7.799 0.757 4.498 365 HZ3 TRP 49 HZ3 TRP 49 -7.578 2.296 8.472 366 HH2 TRP 49 HH2 TRP 49 -8.434 2.422 6.188 367 H ALA 50 HN ALA 50 -3.774 -5.041 8.578 368 HA ALA 50 HA ALA 50 -5.267 -6.089 6.449 369 HB1 ALA 50 HB1 ALA 50 -2.882 -6.567 6.824 370 HB2 ALA 50 HB2 ALA 50 -3.831 -8.037 6.610 371 HB3 ALA 50 HB3 ALA 50 -3.311 -7.550 8.223 372 H LEU 51 HN LEU 51 -5.283 -6.794 9.900 373 HA LEU 51 HA LEU 51 -6.949 -9.067 9.780 374 HB2 LEU 51 HB2 LEU 51 -6.513 -7.097 12.018 375 HB3 LEU 51 HB1 LEU 51 -7.348 -8.629 12.190 376 HG LEU 51 HG LEU 51 -4.440 -8.269 11.463 377 HD11 LEU 51 HD11 LEU 51 -4.909 -7.768 13.798 378 HD12 LEU 51 HD12 LEU 51 -4.017 -9.283 13.646 379 HD13 LEU 51 HD13 LEU 51 -5.751 -9.308 13.971 380 HD21 LEU 51 HD21 LEU 51 -6.048 -10.783 11.899 381 HD22 LEU 51 HD22 LEU 51 -4.303 -10.704 11.651 382 HD23 LEU 51 HD23 LEU 51 -5.401 -10.218 10.359 383 H ASN 52 HN ASN 52 -7.608 -5.646 10.096 384 HA ASN 52 HA ASN 52 -10.406 -5.938 10.536 385 HB2 ASN 52 HB2 ASN 52 -8.705 -3.591 9.705 386 HB3 ASN 52 HB1 ASN 52 -10.452 -3.471 9.903 387 HD21 ASN 52 HD21 ASN 52 -11.348 -3.670 11.960 388 HD22 ASN 52 HD22 ASN 52 -10.397 -3.488 13.390 389 H THR 53 HN THR 53 -8.396 -5.893 7.741 390 HA THR 53 HA THR 53 -10.732 -5.632 5.977 391 HB THR 53 HB THR 53 -9.204 -5.179 4.175 392 HG1 THR 53 HG1 THR 53 -7.222 -5.931 6.068 393 HG21 THR 53 HG21 THR 53 -8.043 -3.167 5.048 394 HG22 THR 53 HG22 THR 53 -8.432 -3.696 6.685 395 HG23 THR 53 HG23 THR 53 -9.727 -3.272 5.565 396 H GLY 54 HN GLY 54 -8.979 -8.001 7.456 397 HA2 GLY 54 HA2 GLY 54 -8.913 -10.278 7.164 398 HA3 GLY 54 HA1 GLY 54 -10.098 -10.074 5.883 399 H GLN 55 HN GLN 55 -6.962 -8.507 5.861 400 HA GLN 55 HA GLN 55 -6.289 -10.056 3.462 401 HB2 GLN 55 HB2 GLN 55 -5.212 -7.437 4.513 402 HB3 GLN 55 HB1 GLN 55 -4.591 -8.252 3.085 403 HG2 GLN 55 HG2 GLN 55 -7.363 -7.150 3.475 404 HG3 GLN 55 HG1 GLN 55 -6.101 -6.506 2.428 405 HE21 GLN 55 HE21 GLN 55 -5.245 -9.135 1.508 406 HE22 GLN 55 HE22 GLN 55 -6.467 -9.688 0.421 407 H ASP 56 HN ASP 56 -4.118 -10.828 3.159 408 HA ASP 56 HA ASP 56 -3.061 -12.028 5.547 409 HB2 ASP 56 HB2 ASP 56 -2.053 -12.113 2.696 410 HB3 ASP 56 HB1 ASP 56 -1.458 -13.115 4.016 411 H SER 57 HN SER 57 -1.323 -11.422 6.716 412 HA SER 57 HA SER 57 0.686 -9.660 5.617 413 HB2 SER 57 HB2 SER 57 -1.051 -8.750 7.925 414 HB3 SER 57 HB1 SER 57 0.409 -7.931 7.367 415 HG SER 57 HG SER 57 -0.772 -6.999 5.919 416 H GLY 58 HN GLY 58 2.587 -9.569 6.873 417 HA2 GLY 58 HA2 GLY 58 2.748 -10.827 9.443 418 HA3 GLY 58 HA1 GLY 58 3.370 -11.859 8.164 419 H VAL 59 HN VAL 59 5.096 -10.950 6.795 420 HA VAL 59 HA VAL 59 6.990 -9.492 8.461 421 HB VAL 59 HB VAL 59 7.436 -10.749 5.750 422 HG11 VAL 59 HG11 VAL 59 9.382 -9.809 7.855 423 HG12 VAL 59 HG12 VAL 59 9.074 -9.037 6.299 424 HG13 VAL 59 HG13 VAL 59 9.810 -10.640 6.359 425 HG21 VAL 59 HG21 VAL 59 7.975 -11.863 8.501 426 HG22 VAL 59 HG22 VAL 59 8.460 -12.609 6.979 427 HG23 VAL 59 HG23 VAL 59 6.749 -12.432 7.368 428 H TRP 60 HN TRP 60 5.080 -9.064 5.577 429 HA TRP 60 HA TRP 60 6.482 -6.677 4.750 430 HB2 TRP 60 HB2 TRP 60 3.891 -7.889 3.761 431 HB3 TRP 60 HB1 TRP 60 4.732 -6.537 3.009 432 HD1 TRP 60 HD1 TRP 60 6.956 -7.081 1.630 433 HE1 TRP 60 HE1 TRP 60 7.874 -9.272 0.641 434 HE3 TRP 60 HE3 TRP 60 4.038 -10.412 4.186 435 HZ2 TRP 60 HZ2 TRP 60 7.421 -12.046 0.908 436 HZ3 TRP 60 HZ3 TRP 60 4.343 -12.816 3.761 437 HH2 TRP 60 HH2 TRP 60 6.000 -13.615 2.155 438 H GLY 61 HN GLY 61 5.289 -4.620 4.425 439 HA2 GLY 61 HA2 GLY 61 4.219 -3.690 6.858 440 HA3 GLY 61 HA1 GLY 61 4.199 -2.818 5.334 441 H GLY 62 HN GLY 62 2.206 -2.166 4.884 442 HA2 GLY 62 HA2 GLY 62 0.023 -4.127 5.138 443 HA3 GLY 62 HA1 GLY 62 -0.168 -2.518 5.817 444 H MET 63 HN MET 63 -1.587 -3.996 3.628 445 HA MET 63 HA MET 63 -1.498 -1.809 1.687 446 HB2 MET 63 HB2 MET 63 -0.075 -3.508 0.716 447 HB3 MET 63 HB1 MET 63 -1.295 -4.743 0.990 448 HG2 MET 63 HG2 MET 63 -2.784 -3.419 -0.567 449 HG3 MET 63 HG1 MET 63 -1.349 -2.480 -0.975 450 HE1 MET 63 HE1 MET 63 0.924 -4.730 -0.796 451 HE2 MET 63 HE2 MET 63 0.832 -3.515 -2.071 452 HE3 MET 63 HE3 MET 63 1.006 -5.220 -2.489 453 H SER 64 HN SER 64 -3.469 -1.251 0.884 454 HA SER 64 HA SER 64 -5.782 -2.428 2.118 455 HB2 SER 64 HB2 SER 64 -7.009 -0.575 1.086 456 HB3 SER 64 HB1 SER 64 -5.573 0.023 1.916 457 HG SER 64 HG SER 64 -4.840 0.722 0.080 458 H GLU 65 HN GLU 65 -7.722 -2.819 0.785 459 HA GLU 65 HA GLU 65 -7.267 -4.880 -1.066 460 HB2 GLU 65 HB2 GLU 65 -9.733 -3.255 -0.449 461 HB3 GLU 65 HB1 GLU 65 -9.739 -4.582 -1.602 462 HG2 GLU 65 HG2 GLU 65 -10.556 -5.356 0.514 463 HG3 GLU 65 HG1 GLU 65 -8.993 -6.102 0.186 464 H ASP 66 HN ASP 66 -8.112 -1.473 -1.516 465 HA ASP 66 HA ASP 66 -8.351 -1.577 -4.332 466 HB2 ASP 66 HB2 ASP 66 -7.670 0.738 -2.506 467 HB3 ASP 66 HB1 ASP 66 -8.084 0.900 -4.209 468 H GLU 67 HN GLU 67 -5.730 -0.983 -2.131 469 HA GLU 67 HA GLU 67 -3.765 -0.198 -3.986 470 HB2 GLU 67 HB2 GLU 67 -3.697 0.029 -1.461 471 HB3 GLU 67 HB1 GLU 67 -3.292 -1.679 -1.397 472 HG2 GLU 67 HG2 GLU 67 -1.255 -1.285 -2.618 473 HG3 GLU 67 HG1 GLU 67 -1.677 0.413 -2.833 474 H ARG 68 HN ARG 68 -4.814 -3.330 -2.769 475 HA ARG 68 HA ARG 68 -2.779 -4.886 -3.956 476 HB2 ARG 68 HB2 ARG 68 -4.202 -5.739 -2.153 477 HB3 ARG 68 HB1 ARG 68 -5.607 -5.651 -3.208 478 HG2 ARG 68 HG2 ARG 68 -4.590 -7.323 -4.686 479 HG3 ARG 68 HG1 ARG 68 -3.206 -7.427 -3.595 480 HD2 ARG 68 HD2 ARG 68 -4.686 -8.170 -1.794 481 HD3 ARG 68 HD1 ARG 68 -6.068 -8.063 -2.883 482 HE ARG 68 HE ARG 68 -4.052 -9.757 -3.947 483 HH11 ARG 68 HH11 ARG 68 -6.604 -9.649 -1.569 484 HH12 ARG 68 HH12 ARG 68 -6.870 -11.360 -1.594 485 HH21 ARG 68 HH21 ARG 68 -4.402 -12.007 -3.982 486 HH22 ARG 68 HH22 ARG 68 -5.620 -12.699 -2.963 487 H ARG 69 HN ARG 69 -5.937 -3.786 -5.091 488 HA ARG 69 HA ARG 69 -6.043 -5.313 -7.448 489 HB2 ARG 69 HB2 ARG 69 -7.972 -4.074 -6.510 490 HB3 ARG 69 HB1 ARG 69 -7.201 -2.560 -6.963 491 HG2 ARG 69 HG2 ARG 69 -7.366 -3.113 -9.296 492 HG3 ARG 69 HG1 ARG 69 -7.987 -4.718 -8.909 493 HD2 ARG 69 HD2 ARG 69 -9.338 -2.097 -8.280 494 HD3 ARG 69 HD1 ARG 69 -9.784 -3.199 -9.579 495 HE ARG 69 HE ARG 69 -10.306 -3.529 -6.742 496 HH11 ARG 69 HH11 ARG 69 -10.283 -5.004 -9.909 497 HH12 ARG 69 HH12 ARG 69 -11.396 -6.254 -9.468 498 HH21 ARG 69 HH21 ARG 69 -11.765 -5.175 -6.166 499 HH22 ARG 69 HH22 ARG 69 -12.237 -6.352 -7.346 500 H ALA 70 HN ALA 70 -4.745 -2.083 -6.797 501 HA ALA 70 HA ALA 70 -3.940 -1.430 -9.405 502 HB1 ALA 70 HB1 ALA 70 -2.837 -0.615 -6.729 503 HB2 ALA 70 HB2 ALA 70 -3.995 0.262 -7.732 504 HB3 ALA 70 HB3 ALA 70 -2.325 0.081 -8.262 505 H LEU 71 HN LEU 71 -2.356 -3.196 -6.834 506 HA LEU 71 HA LEU 71 0.166 -3.496 -8.107 507 HB2 LEU 71 HB2 LEU 71 -0.304 -3.727 -5.648 508 HB3 LEU 71 HB1 LEU 71 -1.062 -5.269 -5.994 509 HG LEU 71 HG LEU 71 1.283 -5.416 -5.133 510 HD11 LEU 71 HD11 LEU 71 0.105 -7.147 -6.585 511 HD12 LEU 71 HD12 LEU 71 1.863 -7.235 -6.481 512 HD13 LEU 71 HD13 LEU 71 1.101 -6.537 -7.907 513 HD21 LEU 71 HD21 LEU 71 2.183 -3.459 -6.292 514 HD22 LEU 71 HD22 LEU 71 1.974 -4.280 -7.838 515 HD23 LEU 71 HD23 LEU 71 3.115 -4.912 -6.652 516 H LYS 72 HN LYS 72 -2.675 -5.616 -7.810 517 HA LYS 72 HA LYS 72 -1.595 -7.790 -9.224 518 HB2 LYS 72 HB2 LYS 72 -3.588 -8.004 -7.825 519 HB3 LYS 72 HB1 LYS 72 -4.480 -6.949 -8.911 520 HG2 LYS 72 HG2 LYS 72 -5.105 -9.223 -9.334 521 HG3 LYS 72 HG1 LYS 72 -4.189 -8.612 -10.713 522 HD2 LYS 72 HD2 LYS 72 -3.186 -10.652 -10.434 523 HD3 LYS 72 HD1 LYS 72 -2.159 -9.660 -9.398 524 HE2 LYS 72 HE2 LYS 72 -4.467 -11.388 -8.514 525 HE3 LYS 72 HE1 LYS 72 -2.755 -11.726 -8.273 526 HZ1 LYS 72 HZ1 LYS 72 -2.684 -9.584 -6.987 527 HZ2 LYS 72 HZ2 LYS 72 -3.549 -10.842 -6.261 528 HZ3 LYS 72 HZ3 LYS 72 -4.377 -9.584 -7.028 529 H ARG 73 HN ARG 73 -3.120 -4.851 -10.245 530 HA ARG 73 HA ARG 73 -3.589 -5.627 -12.943 531 HB2 ARG 73 HB2 ARG 73 -3.444 -2.940 -11.585 532 HB3 ARG 73 HB1 ARG 73 -3.775 -3.116 -13.302 533 HG2 ARG 73 HG2 ARG 73 -5.437 -4.462 -11.195 534 HG3 ARG 73 HG1 ARG 73 -5.771 -2.831 -11.776 535 HD2 ARG 73 HD2 ARG 73 -7.149 -4.239 -13.058 536 HD3 ARG 73 HD1 ARG 73 -5.795 -3.833 -14.111 537 HE ARG 73 HE ARG 73 -5.430 -6.280 -12.649 538 HH11 ARG 73 HH11 ARG 73 -6.776 -4.842 -15.530 539 HH12 ARG 73 HH12 ARG 73 -6.736 -6.317 -16.436 540 HH21 ARG 73 HH21 ARG 73 -5.377 -8.222 -13.839 541 HH22 ARG 73 HH22 ARG 73 -5.943 -8.236 -15.476 542 H ARG 74 HN ARG 74 -0.902 -4.105 -11.249 543 HA ARG 74 HA ARG 74 0.516 -3.370 -13.605 544 HB2 ARG 74 HB2 ARG 74 2.184 -2.598 -12.214 545 HB3 ARG 74 HB1 ARG 74 0.800 -2.541 -11.136 546 HG2 ARG 74 HG2 ARG 74 2.291 -3.533 -9.751 547 HG3 ARG 74 HG1 ARG 74 1.651 -4.979 -10.531 548 HD2 ARG 74 HD2 ARG 74 4.099 -5.009 -10.425 549 HD3 ARG 74 HD1 ARG 74 3.514 -4.998 -12.087 550 HE ARG 74 HE ARG 74 3.964 -2.357 -11.360 551 HH11 ARG 74 HH11 ARG 74 5.822 -5.281 -11.780 552 HH12 ARG 74 HH12 ARG 74 7.271 -4.445 -12.224 553 HH21 ARG 74 HH21 ARG 74 5.870 -1.255 -11.945 554 HH22 ARG 74 HH22 ARG 74 7.299 -2.160 -12.318 555 H ASN 75 HN ASN 75 0.485 -6.226 -11.549 556 HA ASN 75 HA ASN 75 2.730 -7.472 -12.791 557 HB2 ASN 75 HB2 ASN 75 0.505 -8.573 -11.068 558 HB3 ASN 75 HB1 ASN 75 1.855 -9.544 -11.647 559 HD21 ASN 75 HD21 ASN 75 1.114 -8.947 -8.929 560 HD22 ASN 75 HD22 ASN 75 2.463 -8.138 -8.215 561 H ALA 76 HN ALA 76 -0.739 -7.508 -13.331 562 HA ALA 76 HA ALA 76 -2.020 -8.314 -15.029 563 HB1 ALA 76 HB1 ALA 76 -0.475 -7.021 -16.419 564 HB2 ALA 76 HB2 ALA 76 -1.014 -8.484 -17.241 565 HB3 ALA 76 HB3 ALA 76 0.597 -8.418 -16.527
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