NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538543 | 2lre | 18358 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -30.469 4.650 2.739 2 H2 ALA 1 HT2 ALA 1 -31.844 4.192 3.659 3 H3 ALA 1 HT3 ALA 1 -30.329 3.431 3.941 4 HA ALA 1 HA ALA 1 -30.755 6.318 4.260 5 HB1 ALA 1 HB1 ALA 1 -32.312 4.925 5.700 6 HB2 ALA 1 HB2 ALA 1 -31.245 6.042 6.553 7 HB3 ALA 1 HB3 ALA 1 -30.865 4.319 6.506 8 H MET 2 HN MET 2 -29.181 3.766 6.168 9 HA MET 2 HA MET 2 -26.644 5.235 5.862 10 HB2 MET 2 HB2 MET 2 -27.407 3.229 7.993 11 HB3 MET 2 HB1 MET 2 -25.962 4.231 7.965 12 HG2 MET 2 HG2 MET 2 -27.317 6.229 8.222 13 HG3 MET 2 HG1 MET 2 -28.786 5.251 8.193 14 HE1 MET 2 HE1 MET 2 -29.274 6.737 10.017 15 HE2 MET 2 HE2 MET 2 -28.059 7.168 11.219 16 HE3 MET 2 HE3 MET 2 -29.318 6.003 11.620 17 H GLY 3 HN GLY 3 -25.225 4.317 4.475 18 HA2 GLY 3 HA2 GLY 3 -24.678 1.491 4.662 19 HA3 GLY 3 HA1 GLY 3 -25.478 1.943 3.167 20 H LYS 4 HN LYS 4 -22.939 3.620 5.035 21 HA LYS 4 HA LYS 4 -21.481 4.167 2.643 22 HB2 LYS 4 HB2 LYS 4 -19.675 4.780 4.534 23 HB3 LYS 4 HB1 LYS 4 -21.003 5.844 4.103 24 HG2 LYS 4 HG2 LYS 4 -21.195 5.879 6.371 25 HG3 LYS 4 HG1 LYS 4 -22.250 4.517 6.009 26 HD2 LYS 4 HD2 LYS 4 -20.368 2.984 6.449 27 HD3 LYS 4 HD1 LYS 4 -19.372 4.373 6.891 28 HE2 LYS 4 HE2 LYS 4 -21.045 4.925 8.658 29 HE3 LYS 4 HE1 LYS 4 -21.884 3.422 8.270 30 HZ1 LYS 4 HZ1 LYS 4 -19.094 3.009 8.746 31 HZ2 LYS 4 HZ2 LYS 4 -20.434 2.256 9.467 32 HZ3 LYS 4 HZ3 LYS 4 -19.859 3.737 10.073 33 H CYS 5 HN CYS 5 -20.764 2.434 1.591 34 HA CYS 5 HA CYS 5 -19.511 0.624 1.025 35 HB2 CYS 5 HB2 CYS 5 -17.684 2.025 2.120 36 HB3 CYS 5 HB1 CYS 5 -17.938 1.065 3.573 37 H SER 6 HN SER 6 -21.815 -0.073 1.897 38 HA SER 6 HA SER 6 -21.593 -1.902 4.153 39 HB2 SER 6 HB2 SER 6 -23.520 -0.307 3.936 40 HB3 SER 6 HB1 SER 6 -24.040 -1.200 2.508 41 HG SER 6 HG SER 6 -23.718 -2.340 5.104 42 H VAL 7 HN VAL 7 -23.641 -3.698 3.306 43 HA VAL 7 HA VAL 7 -22.021 -5.461 1.660 44 HB VAL 7 HB VAL 7 -24.660 -6.402 2.620 45 HG11 VAL 7 HG11 VAL 7 -21.853 -7.497 2.762 46 HG12 VAL 7 HG12 VAL 7 -23.108 -7.943 1.606 47 HG13 VAL 7 HG13 VAL 7 -23.296 -8.347 3.311 48 HG21 VAL 7 HG21 VAL 7 -24.301 -5.206 4.579 49 HG22 VAL 7 HG22 VAL 7 -22.548 -5.384 4.486 50 HG23 VAL 7 HG23 VAL 7 -23.551 -6.760 4.945 51 H LEU 8 HN LEU 8 -23.699 -7.069 0.427 52 HA LEU 8 HA LEU 8 -24.797 -7.499 -1.447 53 HB2 LEU 8 HB2 LEU 8 -26.926 -6.579 -1.834 54 HB3 LEU 8 HB1 LEU 8 -26.692 -6.689 -0.109 55 HG LEU 8 HG LEU 8 -26.034 -4.113 -0.430 56 HD11 LEU 8 HD11 LEU 8 -26.374 -3.586 -2.615 57 HD12 LEU 8 HD12 LEU 8 -28.031 -3.384 -2.044 58 HD13 LEU 8 HD13 LEU 8 -27.556 -4.873 -2.858 59 HD21 LEU 8 HD21 LEU 8 -28.746 -3.934 -0.244 60 HD22 LEU 8 HD22 LEU 8 -27.664 -4.335 1.090 61 HD23 LEU 8 HD23 LEU 8 -28.463 -5.621 0.189 62 H LYS 9 HN LYS 9 -24.437 -3.912 -1.527 63 HA LYS 9 HA LYS 9 -23.859 -4.128 -4.357 64 HB2 LYS 9 HB2 LYS 9 -23.680 -1.647 -4.217 65 HB3 LYS 9 HB1 LYS 9 -25.238 -2.284 -3.744 66 HG2 LYS 9 HG2 LYS 9 -24.521 -2.067 -1.365 67 HG3 LYS 9 HG1 LYS 9 -23.058 -1.259 -1.942 68 HD2 LYS 9 HD2 LYS 9 -25.893 -0.339 -2.442 69 HD3 LYS 9 HD1 LYS 9 -24.781 0.353 -1.256 70 HE2 LYS 9 HE2 LYS 9 -23.245 0.977 -3.065 71 HE3 LYS 9 HE1 LYS 9 -24.357 0.284 -4.244 72 HZ1 LYS 9 HZ1 LYS 9 -24.455 2.783 -3.906 73 HZ2 LYS 9 HZ2 LYS 9 -25.172 2.464 -2.404 74 HZ3 LYS 9 HZ3 LYS 9 -25.936 1.958 -3.836 75 H LYS 10 HN LYS 10 -22.097 -5.117 -2.070 76 HA LYS 10 HA LYS 10 -19.710 -3.535 -2.260 77 HB2 LYS 10 HB2 LYS 10 -18.675 -5.235 -0.892 78 HB3 LYS 10 HB1 LYS 10 -20.261 -4.861 -0.237 79 HG2 LYS 10 HG2 LYS 10 -21.116 -6.898 -1.469 80 HG3 LYS 10 HG1 LYS 10 -19.425 -7.309 -1.772 81 HD2 LYS 10 HD2 LYS 10 -19.046 -7.188 0.701 82 HD3 LYS 10 HD1 LYS 10 -20.785 -6.996 0.906 83 HE2 LYS 10 HE2 LYS 10 -20.363 -9.282 1.252 84 HE3 LYS 10 HE1 LYS 10 -21.041 -9.167 -0.374 85 HZ1 LYS 10 HZ1 LYS 10 -18.800 -9.315 -1.281 86 HZ2 LYS 10 HZ2 LYS 10 -19.142 -10.659 -0.302 87 HZ3 LYS 10 HZ3 LYS 10 -18.154 -9.415 0.286 88 H VAL 11 HN VAL 11 -21.221 -5.695 -4.281 89 HA VAL 11 HA VAL 11 -18.889 -6.954 -5.410 90 HB VAL 11 HB VAL 11 -21.546 -6.796 -6.810 91 HG11 VAL 11 HG11 VAL 11 -19.918 -9.267 -6.589 92 HG12 VAL 11 HG12 VAL 11 -19.294 -7.957 -7.592 93 HG13 VAL 11 HG13 VAL 11 -20.877 -8.654 -7.937 94 HG21 VAL 11 HG21 VAL 11 -21.784 -9.090 -5.393 95 HG22 VAL 11 HG22 VAL 11 -22.518 -7.556 -4.927 96 HG23 VAL 11 HG23 VAL 11 -20.984 -8.054 -4.211 97 H ALA 12 HN ALA 12 -20.064 -3.877 -5.492 98 HA ALA 12 HA ALA 12 -19.607 -3.216 -8.258 99 HB1 ALA 12 HB1 ALA 12 -21.137 -1.951 -6.687 100 HB2 ALA 12 HB2 ALA 12 -20.028 -0.962 -7.636 101 HB3 ALA 12 HB3 ALA 12 -19.683 -1.292 -5.937 102 H CYS 13 HN CYS 13 -17.627 -4.335 -6.100 103 HA CYS 13 HA CYS 13 -15.434 -2.647 -5.825 104 HB2 CYS 13 HB2 CYS 13 -14.226 -4.984 -5.723 105 HB3 CYS 13 HB1 CYS 13 -15.383 -4.532 -4.469 106 H ALA 14 HN ALA 14 -16.394 -4.787 -8.444 107 HA ALA 14 HA ALA 14 -13.945 -4.587 -9.893 108 HB1 ALA 14 HB1 ALA 14 -16.467 -5.975 -10.149 109 HB2 ALA 14 HB2 ALA 14 -14.869 -6.409 -10.759 110 HB3 ALA 14 HB3 ALA 14 -15.909 -5.339 -11.699 111 H ALA 15 HN ALA 15 -15.245 -2.026 -9.175 112 HA ALA 15 HA ALA 15 -15.232 -0.853 -11.858 113 HB1 ALA 15 HB1 ALA 15 -17.352 -0.188 -11.783 114 HB2 ALA 15 HB2 ALA 15 -17.083 0.598 -10.226 115 HB3 ALA 15 HB3 ALA 15 -17.559 -1.099 -10.288 116 H ALA 16 HN ALA 16 -15.664 0.161 -8.471 117 HA ALA 16 HA ALA 16 -14.028 2.493 -8.827 118 HB1 ALA 16 HB1 ALA 16 -14.790 1.389 -6.148 119 HB2 ALA 16 HB2 ALA 16 -15.997 2.148 -7.187 120 HB3 ALA 16 HB3 ALA 16 -14.591 3.068 -6.649 121 H ILE 17 HN ILE 17 -13.639 -0.630 -7.219 122 HA ILE 17 HA ILE 17 -11.025 -0.109 -6.226 123 HB ILE 17 HB ILE 17 -12.786 -2.510 -6.461 124 HG12 ILE 17 HG12 ILE 17 -11.219 -1.548 -4.099 125 HG13 ILE 17 HG11 ILE 17 -12.692 -0.708 -4.607 126 HG21 ILE 17 HG21 ILE 17 -9.832 -2.624 -5.911 127 HG22 ILE 17 HG22 ILE 17 -10.770 -3.572 -7.067 128 HG23 ILE 17 HG23 ILE 17 -10.963 -3.854 -5.334 129 HD11 ILE 17 HD11 ILE 17 -12.650 -2.705 -2.826 130 HD12 ILE 17 HD12 ILE 17 -12.916 -3.627 -4.307 131 HD13 ILE 17 HD13 ILE 17 -14.037 -2.342 -3.849 132 H ALA 18 HN ALA 18 -12.346 -1.597 -9.097 133 HA ALA 18 HA ALA 18 -9.978 -2.640 -10.168 134 HB1 ALA 18 HB1 ALA 18 -12.160 -3.263 -11.034 135 HB2 ALA 18 HB2 ALA 18 -11.152 -2.609 -12.328 136 HB3 ALA 18 HB3 ALA 18 -12.419 -1.615 -11.608 137 H GLY 19 HN GLY 19 -11.442 0.564 -10.385 138 HA2 GLY 19 HA2 GLY 19 -9.480 1.565 -12.238 139 HA3 GLY 19 HA1 GLY 19 -10.709 2.504 -11.399 140 H ALA 20 HN ALA 20 -9.915 1.520 -8.761 141 HA ALA 20 HA ALA 20 -7.906 3.468 -8.231 142 HB1 ALA 20 HB1 ALA 20 -9.673 3.108 -6.623 143 HB2 ALA 20 HB2 ALA 20 -8.120 2.713 -5.885 144 HB3 ALA 20 HB3 ALA 20 -9.192 1.422 -6.433 145 H VAL 21 HN VAL 21 -8.013 0.058 -8.703 146 HA VAL 21 HA VAL 21 -5.509 -0.609 -7.576 147 HB VAL 21 HB VAL 21 -7.580 -1.933 -9.207 148 HG11 VAL 21 HG11 VAL 21 -5.989 -2.591 -10.723 149 HG12 VAL 21 HG12 VAL 21 -5.929 -3.901 -9.545 150 HG13 VAL 21 HG13 VAL 21 -4.702 -2.635 -9.518 151 HG21 VAL 21 HG21 VAL 21 -6.410 -3.788 -7.567 152 HG22 VAL 21 HG22 VAL 21 -7.798 -2.779 -7.158 153 HG23 VAL 21 HG23 VAL 21 -6.172 -2.280 -6.684 154 H ALA 22 HN ALA 22 -6.576 0.418 -10.773 155 HA ALA 22 HA ALA 22 -4.090 -0.035 -12.078 156 HB1 ALA 22 HB1 ALA 22 -6.006 0.001 -13.448 157 HB2 ALA 22 HB2 ALA 22 -5.106 1.463 -13.849 158 HB3 ALA 22 HB3 ALA 22 -6.528 1.562 -12.811 159 H ALA 23 HN ALA 23 -4.950 2.205 -9.774 160 HA ALA 23 HA ALA 23 -3.351 4.374 -10.836 161 HB1 ALA 23 HB1 ALA 23 -4.023 4.995 -8.206 162 HB2 ALA 23 HB2 ALA 23 -5.418 4.125 -8.844 163 HB3 ALA 23 HB3 ALA 23 -4.821 5.564 -9.674 164 H CYS 24 HN CYS 24 -2.670 1.545 -9.297 165 HA CYS 24 HA CYS 24 -0.113 2.602 -8.385 166 HB2 CYS 24 HB2 CYS 24 -1.835 2.478 -6.435 167 HB3 CYS 24 HB1 CYS 24 -1.575 0.747 -6.528 168 H GLY 25 HN GLY 25 -0.224 1.227 -10.621 169 HA2 GLY 25 HA2 GLY 25 0.942 -0.509 -11.599 170 HA3 GLY 25 HA1 GLY 25 1.241 -1.167 -10.000 171 H GLY 26 HN GLY 26 -1.162 -1.756 -9.014 172 HA2 GLY 26 HA2 GLY 26 -3.294 -2.748 -9.999 173 HA3 GLY 26 HA1 GLY 26 -2.193 -3.708 -10.975 174 H ILE 27 HN ILE 27 -4.075 -3.726 -8.296 175 HA ILE 27 HA ILE 27 -4.462 -5.224 -6.647 176 HB ILE 27 HB ILE 27 -2.184 -6.851 -7.794 177 HG12 ILE 27 HG12 ILE 27 -3.906 -6.516 -9.469 178 HG13 ILE 27 HG11 ILE 27 -4.013 -8.167 -8.863 179 HG21 ILE 27 HG21 ILE 27 -2.477 -8.165 -6.016 180 HG22 ILE 27 HG22 ILE 27 -4.104 -8.504 -6.605 181 HG23 ILE 27 HG23 ILE 27 -3.840 -7.191 -5.458 182 HD11 ILE 27 HD11 ILE 27 -5.748 -5.890 -7.940 183 HD12 ILE 27 HD12 ILE 27 -5.909 -7.592 -7.501 184 HD13 ILE 27 HD13 ILE 27 -6.205 -7.075 -9.164 185 H ASP 28 HN ASP 28 -3.940 -3.578 -5.394 186 HA ASP 28 HA ASP 28 -1.893 -4.277 -3.498 187 HB2 ASP 28 HB2 ASP 28 -0.882 -2.552 -5.107 188 HB3 ASP 28 HB1 ASP 28 -2.056 -1.414 -4.447 189 H LEU 29 HN LEU 29 -2.267 -3.080 -1.534 190 HA LEU 29 HA LEU 29 -5.028 -2.140 -1.269 191 HB2 LEU 29 HB2 LEU 29 -4.812 -4.437 -0.395 192 HB3 LEU 29 HB1 LEU 29 -3.597 -3.877 0.739 193 HG LEU 29 HG LEU 29 -5.247 -2.455 1.843 194 HD11 LEU 29 HD11 LEU 29 -6.979 -3.409 -0.399 195 HD12 LEU 29 HD12 LEU 29 -6.757 -1.772 0.222 196 HD13 LEU 29 HD13 LEU 29 -7.693 -2.945 1.149 197 HD21 LEU 29 HD21 LEU 29 -5.424 -4.317 3.059 198 HD22 LEU 29 HD22 LEU 29 -5.428 -5.352 1.632 199 HD23 LEU 29 HD23 LEU 29 -6.928 -4.604 2.185 200 HA PRO 30 HA PRO 30 -2.294 -0.033 2.257 201 HB2 PRO 30 HB2 PRO 30 0.320 -0.212 0.864 202 HB3 PRO 30 HB1 PRO 30 -0.045 -0.310 2.590 203 HG2 PRO 30 HG2 PRO 30 0.598 -2.485 1.176 204 HG3 PRO 30 HG1 PRO 30 -0.596 -2.547 2.484 205 HD2 PRO 30 HD2 PRO 30 -1.004 -2.586 -0.463 206 HD3 PRO 30 HD1 PRO 30 -1.933 -3.380 0.823 207 H CYS 31 HN CYS 31 -1.173 0.098 -1.106 208 HA CYS 31 HA CYS 31 -1.002 2.956 -1.005 209 HB2 CYS 31 HB2 CYS 31 0.723 1.983 -2.253 210 HB3 CYS 31 HB1 CYS 31 -0.372 0.890 -3.085 211 H VAL 32 HN VAL 32 -3.119 0.556 -2.501 212 HA VAL 32 HA VAL 32 -4.615 2.431 -4.010 213 HB VAL 32 HB VAL 32 -5.205 -0.428 -3.212 214 HG11 VAL 32 HG11 VAL 32 -6.939 -0.485 -4.761 215 HG12 VAL 32 HG12 VAL 32 -6.445 1.033 -5.511 216 HG13 VAL 32 HG13 VAL 32 -7.170 1.036 -3.904 217 HG21 VAL 32 HG21 VAL 32 -4.413 -0.996 -5.422 218 HG22 VAL 32 HG22 VAL 32 -3.161 -0.100 -4.561 219 HG23 VAL 32 HG23 VAL 32 -4.136 0.704 -5.792 220 H LEU 33 HN LEU 33 -4.638 1.561 -0.714 221 HA LEU 33 HA LEU 33 -7.298 1.764 0.048 222 HB2 LEU 33 HB2 LEU 33 -5.456 1.088 1.536 223 HB3 LEU 33 HB1 LEU 33 -4.874 2.744 1.553 224 HG LEU 33 HG LEU 33 -7.054 3.425 2.580 225 HD11 LEU 33 HD11 LEU 33 -8.688 1.909 2.351 226 HD12 LEU 33 HD12 LEU 33 -7.994 1.221 3.819 227 HD13 LEU 33 HD13 LEU 33 -7.561 0.556 2.244 228 HD21 LEU 33 HD21 LEU 33 -4.931 1.842 3.827 229 HD22 LEU 33 HD22 LEU 33 -6.421 1.955 4.764 230 HD23 LEU 33 HD23 LEU 33 -5.580 3.423 4.262 231 H ALA 34 HN ALA 34 -5.039 4.299 -0.794 232 HA ALA 34 HA ALA 34 -6.264 6.527 0.328 233 HB1 ALA 34 HB1 ALA 34 -5.033 6.730 -2.379 234 HB2 ALA 34 HB2 ALA 34 -4.034 6.248 -1.010 235 HB3 ALA 34 HB3 ALA 34 -4.874 7.799 -0.985 236 H ALA 35 HN ALA 35 -7.014 4.831 -2.680 237 HA ALA 35 HA ALA 35 -9.195 6.742 -3.173 238 HB1 ALA 35 HB1 ALA 35 -8.983 6.404 -5.394 239 HB2 ALA 35 HB2 ALA 35 -8.626 4.688 -5.211 240 HB3 ALA 35 HB3 ALA 35 -7.359 5.884 -4.944 241 H LEU 36 HN LEU 36 -8.797 4.018 -1.525 242 HA LEU 36 HA LEU 36 -11.081 2.524 -2.500 243 HB2 LEU 36 HB2 LEU 36 -9.086 1.370 -1.642 244 HB3 LEU 36 HB1 LEU 36 -9.327 2.118 -0.074 245 HG LEU 36 HG LEU 36 -11.435 0.887 0.198 246 HD11 LEU 36 HD11 LEU 36 -11.463 -1.123 -1.610 247 HD12 LEU 36 HD12 LEU 36 -10.922 0.221 -2.616 248 HD13 LEU 36 HD13 LEU 36 -12.442 0.339 -1.729 249 HD21 LEU 36 HD21 LEU 36 -8.802 -0.331 -0.061 250 HD22 LEU 36 HD22 LEU 36 -10.124 -1.488 -0.197 251 HD23 LEU 36 HD23 LEU 36 -9.992 -0.463 1.232 252 H LYS 37 HN LYS 37 -10.363 4.890 -0.078 253 HA LYS 37 HA LYS 37 -12.758 4.394 1.444 254 HB2 LYS 37 HB2 LYS 37 -12.021 6.585 2.555 255 HB3 LYS 37 HB1 LYS 37 -11.004 5.172 2.774 256 HG2 LYS 37 HG2 LYS 37 -9.341 6.003 1.383 257 HG3 LYS 37 HG1 LYS 37 -10.443 7.118 0.573 258 HD2 LYS 37 HD2 LYS 37 -9.147 8.515 1.918 259 HD3 LYS 37 HD1 LYS 37 -10.612 8.280 2.872 260 HE2 LYS 37 HE2 LYS 37 -8.075 6.686 3.230 261 HE3 LYS 37 HE1 LYS 37 -8.472 8.128 4.161 262 HZ1 LYS 37 HZ1 LYS 37 -9.206 5.522 4.701 263 HZ2 LYS 37 HZ2 LYS 37 -10.630 6.303 4.226 264 HZ3 LYS 37 HZ3 LYS 37 -9.717 6.919 5.516 265 H ALA 38 HN ALA 38 -13.513 4.819 -1.160 266 HA ALA 38 HA ALA 38 -14.900 7.402 -0.959 267 HB1 ALA 38 HB1 ALA 38 -13.093 6.499 -3.119 268 HB2 ALA 38 HB2 ALA 38 -13.450 8.127 -2.542 269 HB3 ALA 38 HB3 ALA 38 -14.580 7.303 -3.615 270 H ALA 39 HN ALA 39 -16.984 7.350 -1.471 271 HA ALA 39 HA ALA 39 -19.048 6.634 -2.052 272 HB1 ALA 39 HB1 ALA 39 -18.410 6.466 -4.302 273 HB2 ALA 39 HB2 ALA 39 -19.209 4.936 -3.937 274 HB3 ALA 39 HB3 ALA 39 -17.448 5.016 -4.009 275 H GLU 40 HN GLU 40 -20.094 4.128 -2.678 276 HA GLU 40 HA GLU 40 -19.344 2.558 -0.312 277 HB2 GLU 40 HB2 GLU 40 -21.851 1.947 -0.246 278 HB3 GLU 40 HB1 GLU 40 -21.349 3.519 0.356 279 HG2 GLU 40 HG2 GLU 40 -21.968 4.469 -1.875 280 HG3 GLU 40 HG1 GLU 40 -22.666 2.898 -2.271 281 H GLY 41 HN GLY 41 -18.084 1.808 -2.466 282 HA2 GLY 41 HA2 GLY 41 -19.477 -0.664 -3.269 283 HA3 GLY 41 HA1 GLY 41 -18.667 0.320 -4.480 284 H CYS 42 HN CYS 42 -17.817 -0.764 -1.212 285 HA CYS 42 HA CYS 42 -15.370 -1.969 -2.312 286 HB2 CYS 42 HB2 CYS 42 -14.562 -1.234 0.165 287 HB3 CYS 42 HB1 CYS 42 -14.351 -0.228 -1.264 288 H ALA 43 HN ALA 43 -15.770 -1.964 1.061 289 HA ALA 43 HA ALA 43 -16.064 -3.536 2.621 290 HB1 ALA 43 HB1 ALA 43 -18.246 -3.827 2.696 291 HB2 ALA 43 HB2 ALA 43 -18.062 -5.222 1.632 292 HB3 ALA 43 HB3 ALA 43 -18.381 -3.627 0.950 293 H SER 44 HN SER 44 -17.079 -6.166 2.320 294 HA SER 44 HA SER 44 -14.673 -7.575 2.272 295 HB2 SER 44 HB2 SER 44 -16.279 -9.574 2.424 296 HB3 SER 44 HB1 SER 44 -16.315 -8.368 3.712 297 HG SER 44 HG SER 44 -18.418 -8.958 2.933 298 H CYS 45 HN CYS 45 -15.128 -6.411 -0.381 299 HA CYS 45 HA CYS 45 -15.270 -8.909 -1.941 300 HB2 CYS 45 HB2 CYS 45 -16.863 -7.220 -2.770 301 HB3 CYS 45 HB1 CYS 45 -15.548 -6.055 -2.938 302 H PHE 46 HN PHE 46 -13.428 -6.109 -1.066 303 HA PHE 46 HA PHE 46 -11.188 -7.000 -2.747 304 HB2 PHE 46 HB2 PHE 46 -12.044 -4.638 -2.844 305 HB3 PHE 46 HB1 PHE 46 -11.489 -4.433 -1.190 306 HD1 PHE 46 HD2 PHE 46 -9.202 -6.552 -2.793 307 HD2 PHE 46 HD1 PHE 46 -10.436 -2.489 -2.578 308 HE1 PHE 46 HE2 PHE 46 -7.008 -5.842 -3.637 309 HE2 PHE 46 HE1 PHE 46 -8.270 -1.770 -3.431 310 HZ PHE 46 HZ PHE 46 -6.535 -3.451 -3.949 311 H CYS 47 HN CYS 47 -11.536 -5.507 0.453 312 HA CYS 47 HA CYS 47 -9.080 -6.595 1.405 313 HB2 CYS 47 HB2 CYS 47 -11.262 -5.364 3.065 314 HB3 CYS 47 HB1 CYS 47 -9.527 -5.372 3.377 315 H GLU 48 HN GLU 48 -11.306 -8.543 0.699 316 HA GLU 48 HA GLU 48 -12.208 -9.717 3.123 317 HB2 GLU 48 HB2 GLU 48 -13.146 -9.970 0.747 318 HB3 GLU 48 HB1 GLU 48 -11.872 -11.146 0.497 319 HG2 GLU 48 HG2 GLU 48 -13.988 -12.216 1.068 320 HG3 GLU 48 HG1 GLU 48 -12.730 -12.549 2.250 321 H ASP 49 HN ASP 49 -9.968 -11.089 0.717 322 HA ASP 49 HA ASP 49 -8.758 -12.787 2.719 323 HB2 ASP 49 HB2 ASP 49 -9.130 -13.444 0.300 324 HB3 ASP 49 HB1 ASP 49 -7.845 -12.319 -0.127 325 H HIS 50 HN HIS 50 -8.389 -9.657 1.579 326 HA HIS 50 HA HIS 50 -5.580 -9.428 2.400 327 HB2 HIS 50 HB2 HIS 50 -7.345 -7.317 1.137 328 HB3 HIS 50 HB1 HIS 50 -5.602 -7.251 1.343 329 HD2 HIS 50 HD2 HIS 50 -8.131 -8.138 -1.299 330 HE1 HIS 50 HE1 HIS 50 -4.481 -9.951 -2.509 331 HE2 HIS 50 HE2 HIS 50 -6.739 -9.104 -3.264 332 H CYS 51 HN CYS 51 -6.726 -9.883 4.641 333 HA CYS 51 HA CYS 51 -7.548 -7.282 5.756 334 HB2 CYS 51 HB2 CYS 51 -8.871 -9.754 5.866 335 HB3 CYS 51 HB1 CYS 51 -8.185 -9.522 7.472 336 H HIS 52 HN HIS 52 -5.105 -7.031 5.781 337 HA HIS 52 HA HIS 52 -3.937 -8.333 8.127 338 HB2 HIS 52 HB2 HIS 52 -2.835 -8.420 5.778 339 HB3 HIS 52 HB1 HIS 52 -2.367 -6.759 6.111 340 HD2 HIS 52 HD2 HIS 52 -2.073 -8.806 9.303 341 HE1 HIS 52 HE1 HIS 52 1.733 -8.955 7.434 342 HE2 HIS 52 HE2 HIS 52 0.371 -9.630 9.442 343 H GLY 53 HN GLY 53 -3.606 -5.179 6.467 344 HA2 GLY 53 HA2 GLY 53 -3.797 -3.920 9.126 345 HA3 GLY 53 HA1 GLY 53 -2.487 -3.497 8.039 346 H VAL 54 HN VAL 54 -2.764 -1.887 6.688 347 HA VAL 54 HA VAL 54 -4.114 0.220 6.670 348 HB VAL 54 HB VAL 54 -4.451 0.206 4.112 349 HG11 VAL 54 HG11 VAL 54 -2.127 0.603 3.772 350 HG12 VAL 54 HG12 VAL 54 -1.692 -0.410 5.153 351 HG13 VAL 54 HG13 VAL 54 -2.510 1.129 5.413 352 HG21 VAL 54 HG21 VAL 54 -4.602 -2.158 3.717 353 HG22 VAL 54 HG22 VAL 54 -3.063 -2.440 4.526 354 HG23 VAL 54 HG23 VAL 54 -3.109 -1.572 2.990 355 H CYS 55 HN CYS 55 -5.878 -2.210 4.691 356 HA CYS 55 HA CYS 55 -8.252 -0.641 4.811 357 HB2 CYS 55 HB2 CYS 55 -7.647 -2.146 2.924 358 HB3 CYS 55 HB1 CYS 55 -8.014 -3.520 3.961 359 H LYS 56 HN LYS 56 -7.202 -3.561 6.488 360 HA LYS 56 HA LYS 56 -9.648 -4.131 7.763 361 HB2 LYS 56 HB2 LYS 56 -8.305 -5.947 7.967 362 HB3 LYS 56 HB1 LYS 56 -6.834 -4.985 7.968 363 HG2 LYS 56 HG2 LYS 56 -7.142 -4.461 10.299 364 HG3 LYS 56 HG1 LYS 56 -8.672 -5.343 10.320 365 HD2 LYS 56 HD2 LYS 56 -7.537 -7.423 9.889 366 HD3 LYS 56 HD1 LYS 56 -6.002 -6.581 9.647 367 HE2 LYS 56 HE2 LYS 56 -7.569 -6.704 12.227 368 HE3 LYS 56 HE1 LYS 56 -6.111 -7.627 11.858 369 HZ1 LYS 56 HZ1 LYS 56 -5.628 -4.882 11.399 370 HZ2 LYS 56 HZ2 LYS 56 -4.870 -5.923 12.507 371 HZ3 LYS 56 HZ3 LYS 56 -6.272 -5.073 12.958 372 H ASP 57 HN ASP 57 -7.179 -1.805 8.316 373 HA ASP 57 HA ASP 57 -7.598 -1.193 11.034 374 HB2 ASP 57 HB2 ASP 57 -5.649 -0.411 9.705 375 HB3 ASP 57 HB1 ASP 57 -6.719 0.636 8.783 376 H LEU 58 HN LEU 58 -9.262 -0.275 8.101 377 HA LEU 58 HA LEU 58 -10.996 1.591 9.538 378 HB2 LEU 58 HB2 LEU 58 -11.014 0.841 6.613 379 HB3 LEU 58 HB1 LEU 58 -11.881 2.171 7.355 380 HG LEU 58 HG LEU 58 -8.871 1.956 7.178 381 HD11 LEU 58 HD11 LEU 58 -10.502 2.447 5.099 382 HD12 LEU 58 HD12 LEU 58 -8.901 3.162 5.281 383 HD13 LEU 58 HD13 LEU 58 -10.333 4.077 5.753 384 HD21 LEU 58 HD21 LEU 58 -9.277 3.277 9.045 385 HD22 LEU 58 HD22 LEU 58 -10.742 3.975 8.351 386 HD23 LEU 58 HD23 LEU 58 -9.160 4.460 7.743 387 H HIS 59 HN HIS 59 -10.819 -1.626 8.953 388 HA HIS 59 HA HIS 59 -12.186 -3.394 9.178 389 HB2 HIS 59 HB2 HIS 59 -13.001 -2.073 11.158 390 HB3 HIS 59 HB1 HIS 59 -14.314 -1.485 10.145 391 HD2 HIS 59 HD2 HIS 59 -13.439 -4.504 12.327 392 HE1 HIS 59 HE1 HIS 59 -16.938 -5.540 10.156 393 HE2 HIS 59 HE2 HIS 59 -15.308 -6.261 11.948 394 H LEU 60 HN LEU 60 -12.194 -3.717 6.942 395 HA LEU 60 HA LEU 60 -14.792 -3.210 5.702 396 HB2 LEU 60 HB2 LEU 60 -12.071 -2.846 4.520 397 HB3 LEU 60 HB1 LEU 60 -13.390 -3.348 3.485 398 HG LEU 60 HG LEU 60 -14.631 -1.276 4.343 399 HD11 LEU 60 HD11 LEU 60 -13.199 -0.793 6.247 400 HD12 LEU 60 HD12 LEU 60 -13.211 0.553 5.106 401 HD13 LEU 60 HD13 LEU 60 -11.830 -0.540 5.162 402 HD21 LEU 60 HD21 LEU 60 -12.238 -0.403 2.839 403 HD22 LEU 60 HD22 LEU 60 -13.950 -0.121 2.516 404 HD23 LEU 60 HD23 LEU 60 -13.220 -1.683 2.132 405 H CYS 61 HN CYS 61 -13.718 -5.455 7.223 406 HA CYS 61 HA CYS 61 -14.681 -7.561 5.619 407 HB2 CYS 61 HB2 CYS 61 -12.851 -8.385 4.637 408 HB3 CYS 61 HB1 CYS 61 -11.927 -7.013 5.230 409 H1 ALA 62 HT1 ALA 62 30.067 5.925 11.104 410 H2 ALA 62 HT2 ALA 62 30.149 4.253 10.713 411 H3 ALA 62 HT3 ALA 62 28.631 4.988 11.042 412 HA ALA 62 HA ALA 62 30.178 6.199 8.949 413 HB1 ALA 62 HB1 ALA 62 28.814 3.558 8.451 414 HB2 ALA 62 HB2 ALA 62 30.557 3.727 8.655 415 HB3 ALA 62 HB3 ALA 62 29.747 4.526 7.309 416 H MET 63 HN MET 63 28.624 6.712 7.157 417 HA MET 63 HA MET 63 26.047 7.448 8.341 418 HB2 MET 63 HB2 MET 63 27.259 8.359 5.721 419 HB3 MET 63 HB1 MET 63 25.829 9.022 6.494 420 HG2 MET 63 HG2 MET 63 27.512 10.565 6.939 421 HG3 MET 63 HG1 MET 63 27.359 9.642 8.432 422 HE1 MET 63 HE1 MET 63 31.160 10.738 7.886 423 HE2 MET 63 HE2 MET 63 30.082 10.444 9.251 424 HE3 MET 63 HE3 MET 63 29.569 11.499 7.933 425 H GLY 64 HN GLY 64 25.464 5.065 8.118 426 HA2 GLY 64 HA2 GLY 64 24.069 4.760 5.568 427 HA3 GLY 64 HA1 GLY 64 25.224 3.510 5.992 428 H LYS 65 HN LYS 65 22.257 5.119 7.077 429 HA LYS 65 HA LYS 65 21.667 2.886 8.848 430 HB2 LYS 65 HB2 LYS 65 19.624 4.187 9.424 431 HB3 LYS 65 HB1 LYS 65 21.114 5.070 9.711 432 HG2 LYS 65 HG2 LYS 65 20.760 6.270 7.568 433 HG3 LYS 65 HG1 LYS 65 19.204 5.447 7.410 434 HD2 LYS 65 HD2 LYS 65 18.547 6.416 9.614 435 HD3 LYS 65 HD1 LYS 65 20.052 7.334 9.611 436 HE2 LYS 65 HE2 LYS 65 18.285 8.760 8.841 437 HE3 LYS 65 HE1 LYS 65 19.340 8.391 7.475 438 HZ1 LYS 65 HZ1 LYS 65 17.453 7.859 6.433 439 HZ2 LYS 65 HZ2 LYS 65 16.558 7.764 7.869 440 HZ3 LYS 65 HZ3 LYS 65 17.471 6.435 7.351 441 H CYS 66 HN CYS 66 20.514 1.170 8.228 442 HA CYS 66 HA CYS 66 19.333 -0.275 6.915 443 HB2 CYS 66 HB2 CYS 66 17.475 1.275 7.573 444 HB3 CYS 66 HB1 CYS 66 17.768 2.191 6.100 445 H SER 67 HN SER 67 21.657 0.251 5.819 446 HA SER 67 HA SER 67 21.189 0.999 3.022 447 HB2 SER 67 HB2 SER 67 23.753 1.068 2.978 448 HB3 SER 67 HB1 SER 67 22.931 2.322 3.908 449 HG SER 67 HG SER 67 23.825 1.577 5.668 450 H VAL 68 HN VAL 68 22.626 -0.195 1.431 451 HA VAL 68 HA VAL 68 21.986 -2.978 1.582 452 HB VAL 68 HB VAL 68 23.715 -1.636 -0.498 453 HG11 VAL 68 HG11 VAL 68 22.144 -4.188 -0.393 454 HG12 VAL 68 HG12 VAL 68 23.837 -3.939 -0.824 455 HG13 VAL 68 HG13 VAL 68 22.562 -3.425 -1.928 456 HG21 VAL 68 HG21 VAL 68 21.693 -1.237 -1.787 457 HG22 VAL 68 HG22 VAL 68 21.617 -0.387 -0.243 458 HG23 VAL 68 HG23 VAL 68 20.709 -1.882 -0.476 459 H LEU 69 HN LEU 69 23.159 -3.694 3.346 460 HA LEU 69 HA LEU 69 25.569 -4.997 2.836 461 HB2 LEU 69 HB2 LEU 69 26.524 -2.681 3.058 462 HB3 LEU 69 HB1 LEU 69 25.896 -2.628 4.696 463 HG LEU 69 HG LEU 69 27.344 -4.559 5.277 464 HD11 LEU 69 HD11 LEU 69 27.543 -5.518 3.027 465 HD12 LEU 69 HD12 LEU 69 29.115 -5.239 3.778 466 HD13 LEU 69 HD13 LEU 69 28.522 -4.135 2.537 467 HD21 LEU 69 HD21 LEU 69 28.105 -2.333 5.785 468 HD22 LEU 69 HD22 LEU 69 28.709 -2.125 4.143 469 HD23 LEU 69 HD23 LEU 69 29.472 -3.296 5.221 470 H LYS 70 HN LYS 70 23.857 -3.317 5.429 471 HA LYS 70 HA LYS 70 24.012 -5.651 7.146 472 HB2 LYS 70 HB2 LYS 70 22.827 -2.891 7.506 473 HB3 LYS 70 HB1 LYS 70 22.771 -4.144 8.727 474 HG2 LYS 70 HG2 LYS 70 25.164 -4.154 8.928 475 HG3 LYS 70 HG1 LYS 70 25.313 -3.046 7.563 476 HD2 LYS 70 HD2 LYS 70 23.888 -2.373 10.137 477 HD3 LYS 70 HD1 LYS 70 25.576 -1.964 9.800 478 HE2 LYS 70 HE2 LYS 70 24.857 -0.678 7.837 479 HE3 LYS 70 HE1 LYS 70 23.179 -1.084 8.189 480 HZ1 LYS 70 HZ1 LYS 70 24.872 0.342 10.159 481 HZ2 LYS 70 HZ2 LYS 70 23.177 0.232 10.100 482 HZ3 LYS 70 HZ3 LYS 70 24.010 1.166 8.954 483 H LYS 71 HN LYS 71 22.697 -5.746 4.635 484 HA LYS 71 HA LYS 71 19.870 -5.621 4.856 485 HB2 LYS 71 HB2 LYS 71 21.200 -5.461 2.744 486 HB3 LYS 71 HB1 LYS 71 21.598 -7.163 2.906 487 HG2 LYS 71 HG2 LYS 71 18.744 -6.691 3.028 488 HG3 LYS 71 HG1 LYS 71 19.463 -6.094 1.534 489 HD2 LYS 71 HD2 LYS 71 19.659 -8.908 2.638 490 HD3 LYS 71 HD1 LYS 71 18.731 -8.382 1.227 491 HE2 LYS 71 HE2 LYS 71 21.733 -8.429 1.536 492 HE3 LYS 71 HE1 LYS 71 20.758 -9.429 0.459 493 HZ1 LYS 71 HZ1 LYS 71 21.009 -7.881 -1.089 494 HZ2 LYS 71 HZ2 LYS 71 21.872 -6.887 -0.024 495 HZ3 LYS 71 HZ3 LYS 71 20.188 -6.761 -0.125 496 H VAL 72 HN VAL 72 22.314 -7.999 5.466 497 HA VAL 72 HA VAL 72 20.741 -10.338 5.519 498 HB VAL 72 HB VAL 72 23.169 -9.835 7.249 499 HG11 VAL 72 HG11 VAL 72 21.542 -12.085 6.886 500 HG12 VAL 72 HG12 VAL 72 23.101 -12.008 7.707 501 HG13 VAL 72 HG13 VAL 72 23.026 -12.413 5.991 502 HG21 VAL 72 HG21 VAL 72 24.232 -10.996 5.090 503 HG22 VAL 72 HG22 VAL 72 24.136 -9.247 5.287 504 HG23 VAL 72 HG23 VAL 72 22.933 -10.092 4.313 505 H ALA 73 HN ALA 73 21.084 -7.741 7.791 506 HA ALA 73 HA ALA 73 20.148 -9.179 10.085 507 HB1 ALA 73 HB1 ALA 73 20.846 -6.370 9.475 508 HB2 ALA 73 HB2 ALA 73 21.330 -7.396 10.825 509 HB3 ALA 73 HB3 ALA 73 19.733 -6.646 10.813 510 H CYS 74 HN CYS 74 18.478 -8.739 7.427 511 HA CYS 74 HA CYS 74 16.117 -7.425 8.361 512 HB2 CYS 74 HB2 CYS 74 15.084 -8.174 6.300 513 HB3 CYS 74 HB1 CYS 74 16.692 -7.538 5.966 514 H ALA 75 HN ALA 75 17.406 -10.517 8.842 515 HA ALA 75 HA ALA 75 15.021 -12.026 9.048 516 HB1 ALA 75 HB1 ALA 75 16.454 -13.638 10.306 517 HB2 ALA 75 HB2 ALA 75 17.773 -12.473 10.183 518 HB3 ALA 75 HB3 ALA 75 17.085 -13.179 8.723 519 H ALA 76 HN ALA 76 16.129 -9.525 10.956 520 HA ALA 76 HA ALA 76 14.948 -10.616 13.414 521 HB1 ALA 76 HB1 ALA 76 17.240 -9.104 12.988 522 HB2 ALA 76 HB2 ALA 76 16.483 -9.478 14.536 523 HB3 ALA 76 HB3 ALA 76 16.085 -7.979 13.702 524 H ALA 77 HN ALA 77 14.795 -7.693 11.371 525 HA ALA 77 HA ALA 77 12.457 -6.765 12.807 526 HB1 ALA 77 HB1 ALA 77 14.063 -5.103 12.184 527 HB2 ALA 77 HB2 ALA 77 12.585 -4.821 11.267 528 HB3 ALA 77 HB3 ALA 77 13.974 -5.582 10.490 529 H ILE 78 HN ILE 78 13.171 -7.978 9.547 530 HA ILE 78 HA ILE 78 10.496 -7.594 8.612 531 HB ILE 78 HB ILE 78 12.910 -9.007 7.481 532 HG12 ILE 78 HG12 ILE 78 11.406 -6.540 6.600 533 HG13 ILE 78 HG11 ILE 78 12.860 -6.515 7.609 534 HG21 ILE 78 HG21 ILE 78 11.294 -8.699 5.323 535 HG22 ILE 78 HG22 ILE 78 10.116 -9.150 6.560 536 HG23 ILE 78 HG23 ILE 78 11.479 -10.213 6.213 537 HD11 ILE 78 HD11 ILE 78 13.083 -8.019 5.103 538 HD12 ILE 78 HD12 ILE 78 14.219 -6.912 5.873 539 HD13 ILE 78 HD13 ILE 78 12.867 -6.277 4.935 540 H ALA 79 HN ALA 79 12.398 -10.363 9.742 541 HA ALA 79 HA ALA 79 10.204 -12.176 9.386 542 HB1 ALA 79 HB1 ALA 79 11.625 -13.850 10.411 543 HB2 ALA 79 HB2 ALA 79 12.771 -12.601 10.904 544 HB3 ALA 79 HB3 ALA 79 12.528 -12.951 9.191 545 H GLY 80 HN GLY 80 11.159 -9.953 11.768 546 HA2 GLY 80 HA2 GLY 80 9.837 -11.326 13.965 547 HA3 GLY 80 HA1 GLY 80 10.615 -9.749 14.029 548 H ALA 81 HN ALA 81 9.230 -8.680 11.733 549 HA ALA 81 HA ALA 81 6.952 -7.661 13.055 550 HB1 ALA 81 HB1 ALA 81 6.858 -6.138 11.403 551 HB2 ALA 81 HB2 ALA 81 7.080 -7.338 10.130 552 HB3 ALA 81 HB3 ALA 81 8.472 -6.750 11.042 553 H VAL 82 HN VAL 82 7.453 -10.420 11.126 554 HA VAL 82 HA VAL 82 4.939 -10.836 9.984 555 HB VAL 82 HB VAL 82 7.113 -12.768 10.844 556 HG11 VAL 82 HG11 VAL 82 5.053 -14.004 10.776 557 HG12 VAL 82 HG12 VAL 82 5.960 -14.361 9.306 558 HG13 VAL 82 HG13 VAL 82 4.609 -13.237 9.250 559 HG21 VAL 82 HG21 VAL 82 7.529 -11.055 9.027 560 HG22 VAL 82 HG22 VAL 82 6.319 -11.917 8.078 561 HG23 VAL 82 HG23 VAL 82 7.791 -12.745 8.589 562 H ALA 83 HN ALA 83 6.359 -12.140 12.980 563 HA ALA 83 HA ALA 83 3.953 -13.340 13.880 564 HB1 ALA 83 HB1 ALA 83 6.582 -13.502 14.610 565 HB2 ALA 83 HB2 ALA 83 5.231 -14.203 15.501 566 HB3 ALA 83 HB3 ALA 83 5.869 -12.626 15.966 567 H ALA 84 HN ALA 84 5.281 -10.150 14.138 568 HA ALA 84 HA ALA 84 3.853 -9.217 16.378 569 HB1 ALA 84 HB1 ALA 84 5.780 -8.032 15.498 570 HB2 ALA 84 HB2 ALA 84 4.371 -6.974 15.529 571 HB3 ALA 84 HB3 ALA 84 4.902 -7.681 14.005 572 H CYS 85 HN CYS 85 3.023 -9.243 12.904 573 HA CYS 85 HA CYS 85 0.362 -8.245 13.686 574 HB2 CYS 85 HB2 CYS 85 1.759 -6.916 11.996 575 HB3 CYS 85 HB1 CYS 85 1.404 -8.217 10.865 576 H GLY 86 HN GLY 86 1.348 -11.046 13.768 577 HA2 GLY 86 HA2 GLY 86 0.158 -13.027 13.605 578 HA3 GLY 86 HA1 GLY 86 -0.998 -12.216 12.569 579 H GLY 87 HN GLY 87 0.453 -11.454 10.408 580 HA2 GLY 87 HA2 GLY 87 1.808 -13.912 9.511 581 HA3 GLY 87 HA1 GLY 87 0.458 -13.286 8.585 582 H ILE 88 HN ILE 88 2.408 -13.549 7.043 583 HA ILE 88 HA ILE 88 4.042 -11.114 7.030 584 HB ILE 88 HB ILE 88 5.393 -13.065 6.837 585 HG12 ILE 88 HG12 ILE 88 6.344 -12.844 4.506 586 HG13 ILE 88 HG11 ILE 88 5.008 -11.757 4.142 587 HG21 ILE 88 HG21 ILE 88 3.490 -14.539 6.092 588 HG22 ILE 88 HG22 ILE 88 5.059 -14.863 5.354 589 HG23 ILE 88 HG23 ILE 88 3.826 -13.987 4.448 590 HD11 ILE 88 HD11 ILE 88 6.526 -11.048 6.540 591 HD12 ILE 88 HD12 ILE 88 5.953 -10.043 5.211 592 HD13 ILE 88 HD13 ILE 88 7.439 -10.976 5.032 593 H ASP 89 HN ASP 89 3.916 -9.637 5.471 594 HA ASP 89 HA ASP 89 2.784 -9.984 2.915 595 HB2 ASP 89 HB2 ASP 89 0.710 -9.988 4.428 596 HB3 ASP 89 HB1 ASP 89 1.066 -8.298 4.750 597 H LEU 90 HN LEU 90 1.946 -7.018 4.404 598 HA LEU 90 HA LEU 90 4.410 -5.702 4.472 599 HB2 LEU 90 HB2 LEU 90 4.479 -6.059 2.068 600 HB3 LEU 90 HB1 LEU 90 2.904 -5.307 1.884 601 HG LEU 90 HG LEU 90 3.839 -3.157 2.617 602 HD11 LEU 90 HD11 LEU 90 6.066 -4.824 3.406 603 HD12 LEU 90 HD12 LEU 90 5.682 -3.166 3.871 604 HD13 LEU 90 HD13 LEU 90 6.586 -3.481 2.386 605 HD21 LEU 90 HD21 LEU 90 3.795 -3.596 0.265 606 HD22 LEU 90 HD22 LEU 90 5.295 -4.516 0.366 607 HD23 LEU 90 HD23 LEU 90 5.306 -2.776 0.656 608 HA PRO 91 HA PRO 91 0.475 -2.507 4.122 609 HB2 PRO 91 HB2 PRO 91 -1.551 -4.158 5.308 610 HB3 PRO 91 HB1 PRO 91 -1.569 -3.363 3.734 611 HG2 PRO 91 HG2 PRO 91 -0.878 -6.151 4.432 612 HG3 PRO 91 HG1 PRO 91 -1.481 -5.487 2.904 613 HD2 PRO 91 HD2 PRO 91 1.052 -6.299 3.158 614 HD3 PRO 91 HD1 PRO 91 0.641 -4.864 2.193 615 H CYS 92 HN CYS 92 0.773 -5.067 6.585 616 HA CYS 92 HA CYS 92 0.602 -2.967 8.617 617 HB2 CYS 92 HB2 CYS 92 -1.200 -4.503 8.896 618 HB3 CYS 92 HB1 CYS 92 -0.135 -5.891 8.718 619 H VAL 93 HN VAL 93 2.689 -5.217 7.184 620 HA VAL 93 HA VAL 93 4.364 -5.782 9.397 621 HB VAL 93 HB VAL 93 5.099 -5.893 6.470 622 HG11 VAL 93 HG11 VAL 93 6.670 -7.527 7.087 623 HG12 VAL 93 HG12 VAL 93 5.983 -7.680 8.705 624 HG13 VAL 93 HG13 VAL 93 6.849 -6.213 8.250 625 HG21 VAL 93 HG21 VAL 93 4.248 -8.412 7.553 626 HG22 VAL 93 HG22 VAL 93 3.668 -7.555 6.123 627 HG23 VAL 93 HG23 VAL 93 2.960 -7.217 7.703 628 H LEU 94 HN LEU 94 3.991 -3.049 7.362 629 HA LEU 94 HA LEU 94 6.606 -2.039 7.288 630 HB2 LEU 94 HB2 LEU 94 4.734 -1.182 5.930 631 HB3 LEU 94 HB1 LEU 94 4.029 -0.474 7.373 632 HG LEU 94 HG LEU 94 6.204 0.846 7.604 633 HD11 LEU 94 HD11 LEU 94 6.663 -0.566 5.064 634 HD12 LEU 94 HD12 LEU 94 7.815 0.087 6.226 635 HD13 LEU 94 HD13 LEU 94 7.036 1.157 5.057 636 HD21 LEU 94 HD21 LEU 94 3.937 1.258 5.834 637 HD22 LEU 94 HD22 LEU 94 5.369 2.160 5.338 638 HD23 LEU 94 HD23 LEU 94 4.712 2.371 6.963 639 H ALA 95 HN ALA 95 4.095 -1.788 9.738 640 HA ALA 95 HA ALA 95 5.001 0.286 11.299 641 HB1 ALA 95 HB1 ALA 95 3.723 -0.623 13.087 642 HB2 ALA 95 HB2 ALA 95 3.806 -2.246 12.397 643 HB3 ALA 95 HB3 ALA 95 2.876 -0.987 11.586 644 H ALA 96 HN ALA 96 5.838 -3.155 11.793 645 HA ALA 96 HA ALA 96 7.866 -2.382 13.718 646 HB1 ALA 96 HB1 ALA 96 8.026 -5.153 13.152 647 HB2 ALA 96 HB2 ALA 96 6.320 -4.717 13.257 648 HB3 ALA 96 HB3 ALA 96 7.408 -4.358 14.599 649 H LEU 97 HN LEU 97 7.894 -2.182 10.543 650 HA LEU 97 HA LEU 97 10.323 -3.594 9.918 651 HB2 LEU 97 HB2 LEU 97 8.634 -3.252 8.195 652 HB3 LEU 97 HB1 LEU 97 8.778 -1.513 8.363 653 HG LEU 97 HG LEU 97 11.085 -1.619 7.514 654 HD11 LEU 97 HD11 LEU 97 11.930 -3.689 6.530 655 HD12 LEU 97 HD12 LEU 97 10.507 -4.550 7.115 656 HD13 LEU 97 HD13 LEU 97 11.658 -3.862 8.263 657 HD21 LEU 97 HD21 LEU 97 9.079 -2.982 5.717 658 HD22 LEU 97 HD22 LEU 97 10.537 -2.134 5.198 659 HD23 LEU 97 HD23 LEU 97 9.225 -1.241 5.967 660 H LYS 98 HN LYS 98 9.421 -0.364 10.941 661 HA LYS 98 HA LYS 98 12.111 0.620 10.450 662 HB2 LYS 98 HB2 LYS 98 10.170 2.098 10.016 663 HB3 LYS 98 HB1 LYS 98 9.782 2.062 11.732 664 HG2 LYS 98 HG2 LYS 98 11.928 3.112 12.250 665 HG3 LYS 98 HG1 LYS 98 12.333 3.136 10.532 666 HD2 LYS 98 HD2 LYS 98 9.862 4.475 11.610 667 HD3 LYS 98 HD1 LYS 98 11.424 5.293 11.564 668 HE2 LYS 98 HE2 LYS 98 11.543 4.945 9.145 669 HE3 LYS 98 HE1 LYS 98 9.990 4.104 9.191 670 HZ1 LYS 98 HZ1 LYS 98 8.893 6.098 9.847 671 HZ2 LYS 98 HZ2 LYS 98 9.855 6.471 8.494 672 HZ3 LYS 98 HZ3 LYS 98 10.363 6.923 10.045 673 H ALA 99 HN ALA 99 12.834 -1.162 11.929 674 HA ALA 99 HA ALA 99 12.759 -0.323 14.754 675 HB1 ALA 99 HB1 ALA 99 12.076 -2.665 14.294 676 HB2 ALA 99 HB2 ALA 99 13.521 -2.567 15.301 677 HB3 ALA 99 HB3 ALA 99 13.666 -2.963 13.589 678 H ALA 100 HN ALA 100 14.143 1.411 13.696 679 HA ALA 100 HA ALA 100 16.152 2.485 13.725 680 HB1 ALA 100 HB1 ALA 100 16.804 0.851 15.568 681 HB2 ALA 100 HB2 ALA 100 18.120 1.547 14.621 682 HB3 ALA 100 HB3 ALA 100 17.578 -0.100 14.302 683 H GLU 101 HN GLU 101 16.836 -0.779 12.502 684 HA GLU 101 HA GLU 101 16.771 0.060 9.790 685 HB2 GLU 101 HB2 GLU 101 19.209 -0.691 9.371 686 HB3 GLU 101 HB1 GLU 101 18.916 0.933 9.972 687 HG2 GLU 101 HG2 GLU 101 19.530 0.255 12.206 688 HG3 GLU 101 HG1 GLU 101 19.730 -1.414 11.670 689 H GLY 102 HN GLY 102 18.888 -2.233 9.362 690 HA2 GLY 102 HA2 GLY 102 18.839 -4.539 9.165 691 HA3 GLY 102 HA1 GLY 102 17.547 -4.562 10.358 692 H CYS 103 HN CYS 103 17.242 -2.598 7.537 693 HA CYS 103 HA CYS 103 15.150 -4.407 6.549 694 HB2 CYS 103 HB2 CYS 103 14.735 -2.042 5.237 695 HB3 CYS 103 HB1 CYS 103 13.948 -2.504 6.743 696 H ALA 104 HN ALA 104 16.765 -1.814 4.821 697 HA ALA 104 HA ALA 104 17.796 -1.696 2.822 698 HB1 ALA 104 HB1 ALA 104 19.140 -4.300 3.204 699 HB2 ALA 104 HB2 ALA 104 19.390 -3.058 4.431 700 HB3 ALA 104 HB3 ALA 104 19.806 -2.731 2.748 701 H SER 105 HN SER 105 18.803 -3.811 1.188 702 HA SER 105 HA SER 105 16.562 -4.174 -0.498 703 HB2 SER 105 HB2 SER 105 18.870 -5.848 -1.109 704 HB3 SER 105 HB1 SER 105 18.126 -4.560 -2.056 705 HG SER 105 HG SER 105 19.835 -3.462 -1.515 706 H CYS 106 HN CYS 106 16.164 -5.522 2.038 707 HA CYS 106 HA CYS 106 16.039 -8.314 1.115 708 HB2 CYS 106 HB2 CYS 106 17.197 -7.893 3.323 709 HB3 CYS 106 HB1 CYS 106 15.671 -7.277 3.942 710 H PHE 107 HN PHE 107 14.401 -5.503 2.097 711 HA PHE 107 HA PHE 107 11.832 -6.737 1.386 712 HB2 PHE 107 HB2 PHE 107 12.462 -5.580 3.863 713 HB3 PHE 107 HB1 PHE 107 11.577 -4.331 2.994 714 HD1 PHE 107 HD2 PHE 107 10.127 -6.876 1.473 715 HD2 PHE 107 HD1 PHE 107 10.522 -5.398 5.441 716 HE1 PHE 107 HE2 PHE 107 8.009 -7.967 2.087 717 HE2 PHE 107 HE1 PHE 107 8.431 -6.487 6.070 718 HZ PHE 107 HZ PHE 107 7.149 -7.774 4.386 719 H CYS 108 HN CYS 108 10.365 -5.093 0.461 720 HA CYS 108 HA CYS 108 9.828 -3.452 -0.981 721 HB2 CYS 108 HB2 CYS 108 12.388 -2.202 -0.021 722 HB3 CYS 108 HB1 CYS 108 11.145 -1.374 -0.957 723 H GLU 109 HN GLU 109 12.494 -5.437 -1.471 724 HA GLU 109 HA GLU 109 13.656 -4.303 -3.779 725 HB2 GLU 109 HB2 GLU 109 13.493 -7.038 -2.594 726 HB3 GLU 109 HB1 GLU 109 14.038 -6.887 -4.267 727 HG2 GLU 109 HG2 GLU 109 15.251 -5.291 -2.041 728 HG3 GLU 109 HG1 GLU 109 15.839 -6.889 -2.500 729 H ASP 110 HN ASP 110 11.884 -7.325 -4.058 730 HA ASP 110 HA ASP 110 10.733 -6.423 -6.576 731 HB2 ASP 110 HB2 ASP 110 11.745 -8.725 -6.287 732 HB3 ASP 110 HB1 ASP 110 10.418 -9.106 -5.194 733 H HIS 111 HN HIS 111 10.078 -6.333 -3.365 734 HA HIS 111 HA HIS 111 7.163 -6.437 -3.621 735 HB2 HIS 111 HB2 HIS 111 7.942 -5.883 -0.941 736 HB3 HIS 111 HB1 HIS 111 7.206 -7.346 -1.576 737 HD2 HIS 111 HD2 HIS 111 8.679 -9.412 -0.699 738 HE1 HIS 111 HE1 HIS 111 12.522 -7.679 -1.021 739 HE2 HIS 111 HE2 HIS 111 11.193 -9.659 -0.197 740 H CYS 112 HN CYS 112 8.577 -4.206 -4.775 741 HA CYS 112 HA CYS 112 8.086 -2.024 -2.890 742 HB2 CYS 112 HB2 CYS 112 9.983 -2.387 -4.918 743 HB3 CYS 112 HB1 CYS 112 8.876 -1.169 -5.549 744 H HIS 113 HN HIS 113 5.759 -2.872 -3.118 745 HA HIS 113 HA HIS 113 4.440 -1.424 -5.294 746 HB2 HIS 113 HB2 HIS 113 4.359 -3.950 -5.389 747 HB3 HIS 113 HB1 HIS 113 3.394 -3.896 -3.921 748 HD2 HIS 113 HD2 HIS 113 1.840 -1.096 -5.651 749 HE1 HIS 113 HE1 HIS 113 0.050 -4.495 -7.461 750 HE2 HIS 113 HE2 HIS 113 0.027 -1.982 -7.252 751 H GLY 114 HN GLY 114 3.826 -2.730 -2.019 752 HA2 GLY 114 HA2 GLY 114 1.718 -0.793 -1.597 753 HA3 GLY 114 HA1 GLY 114 2.252 -2.016 -0.456 754 H VAL 115 HN VAL 115 2.579 -0.867 1.357 755 HA VAL 115 HA VAL 115 3.496 1.769 1.576 756 HB VAL 115 HB VAL 115 4.030 1.151 3.956 757 HG11 VAL 115 HG11 VAL 115 1.878 1.924 3.788 758 HG12 VAL 115 HG12 VAL 115 1.584 0.289 4.387 759 HG13 VAL 115 HG13 VAL 115 1.388 0.649 2.668 760 HG21 VAL 115 HG21 VAL 115 4.333 -1.382 2.988 761 HG22 VAL 115 HG22 VAL 115 2.733 -1.460 3.721 762 HG23 VAL 115 HG23 VAL 115 4.117 -0.964 4.691 763 H CYS 116 HN CYS 116 5.290 -0.955 0.678 764 HA CYS 116 HA CYS 116 7.772 -0.414 1.908 765 HB2 CYS 116 HB2 CYS 116 6.742 -2.352 0.148 766 HB3 CYS 116 HB1 CYS 116 8.117 -1.625 -0.679 767 H LYS 117 HN LYS 117 6.249 0.861 -0.987 768 HA LYS 117 HA LYS 117 8.704 2.236 -1.753 769 HB2 LYS 117 HB2 LYS 117 6.861 3.333 -3.393 770 HB3 LYS 117 HB1 LYS 117 7.708 1.837 -3.749 771 HG2 LYS 117 HG2 LYS 117 5.881 0.526 -3.286 772 HG3 LYS 117 HG1 LYS 117 5.141 1.739 -2.236 773 HD2 LYS 117 HD2 LYS 117 5.477 2.219 -5.183 774 HD3 LYS 117 HD1 LYS 117 4.098 1.310 -4.551 775 HE2 LYS 117 HE2 LYS 117 3.624 3.270 -3.050 776 HE3 LYS 117 HE1 LYS 117 4.873 4.154 -3.926 777 HZ1 LYS 117 HZ1 LYS 117 2.518 4.492 -4.705 778 HZ2 LYS 117 HZ2 LYS 117 2.565 2.913 -5.306 779 HZ3 LYS 117 HZ3 LYS 117 3.636 4.078 -5.907 780 H ASP 118 HN ASP 118 5.779 2.760 -0.030 781 HA ASP 118 HA ASP 118 5.693 5.581 -0.052 782 HB2 ASP 118 HB2 ASP 118 4.564 3.442 1.727 783 HB3 ASP 118 HB1 ASP 118 4.419 5.128 2.192 784 H LEU 119 HN LEU 119 7.227 3.220 2.057 785 HA LEU 119 HA LEU 119 8.680 5.384 3.425 786 HB2 LEU 119 HB2 LEU 119 7.423 3.294 4.576 787 HB3 LEU 119 HB1 LEU 119 8.965 2.531 4.250 788 HG LEU 119 HG LEU 119 8.672 5.086 5.837 789 HD11 LEU 119 HD11 LEU 119 7.666 2.807 6.729 790 HD12 LEU 119 HD12 LEU 119 8.543 3.914 7.785 791 HD13 LEU 119 HD13 LEU 119 9.355 2.496 7.122 792 HD21 LEU 119 HD21 LEU 119 10.998 3.620 6.486 793 HD22 LEU 119 HD22 LEU 119 10.891 5.194 5.698 794 HD23 LEU 119 HD23 LEU 119 10.924 3.721 4.728 795 H HIS 120 HN HIS 120 9.487 5.457 1.141 796 HA HIS 120 HA HIS 120 10.809 4.036 -0.489 797 HB2 HIS 120 HB2 HIS 120 10.885 6.513 -0.443 798 HB3 HIS 120 HB1 HIS 120 12.241 6.416 0.676 799 HD2 HIS 120 HD2 HIS 120 11.520 6.183 -3.097 800 HE1 HIS 120 HE1 HIS 120 15.615 5.216 -2.544 801 HE2 HIS 120 HE2 HIS 120 13.762 5.549 -4.224 802 H LEU 121 HN LEU 121 11.966 2.341 -0.480 803 HA LEU 121 HA LEU 121 14.369 2.192 1.158 804 HB2 LEU 121 HB2 LEU 121 12.074 0.601 1.542 805 HB3 LEU 121 HB1 LEU 121 13.251 -0.426 0.744 806 HG LEU 121 HG LEU 121 14.891 0.210 2.554 807 HD11 LEU 121 HD11 LEU 121 13.404 0.877 4.684 808 HD12 LEU 121 HD12 LEU 121 12.527 1.744 3.421 809 HD13 LEU 121 HD13 LEU 121 14.246 2.055 3.678 810 HD21 LEU 121 HD21 LEU 121 12.537 -1.505 2.754 811 HD22 LEU 121 HD22 LEU 121 13.242 -1.073 4.312 812 HD23 LEU 121 HD23 LEU 121 14.236 -1.859 3.082 813 H CYS 122 HN CYS 122 12.554 1.263 -1.688 814 HA CYS 122 HA CYS 122 15.020 0.262 -2.929 815 HB2 CYS 122 HB2 CYS 122 13.785 -1.132 -4.286 816 HB3 CYS 122 HB1 CYS 122 12.747 -1.104 -2.868 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -28.087 1.077 0.427 2 H2 ALA 1 HT2 ALA 1 -26.711 0.610 -0.488 3 H3 ALA 1 HT3 ALA 1 -28.041 -0.465 -0.328 4 HA ALA 1 HA ALA 1 -29.428 0.954 -1.560 5 HB1 ALA 1 HB1 ALA 1 -27.242 2.862 -1.088 6 HB2 ALA 1 HB2 ALA 1 -28.969 3.143 -1.327 7 HB3 ALA 1 HB3 ALA 1 -27.917 2.890 -2.719 8 H MET 2 HN MET 2 -28.910 1.629 -4.035 9 HA MET 2 HA MET 2 -27.834 -0.769 -5.186 10 HB2 MET 2 HB2 MET 2 -29.810 0.654 -6.044 11 HB3 MET 2 HB1 MET 2 -28.587 1.727 -6.704 12 HG2 MET 2 HG2 MET 2 -28.791 -1.198 -7.383 13 HG3 MET 2 HG1 MET 2 -29.550 0.088 -8.318 14 HE1 MET 2 HE1 MET 2 -28.228 -0.412 -10.687 15 HE2 MET 2 HE2 MET 2 -27.910 -1.880 -9.763 16 HE3 MET 2 HE3 MET 2 -26.591 -1.068 -10.605 17 H GLY 3 HN GLY 3 -25.673 -0.901 -4.791 18 HA2 GLY 3 HA2 GLY 3 -23.524 -0.609 -5.750 19 HA3 GLY 3 HA1 GLY 3 -24.002 1.004 -6.263 20 H LYS 4 HN LYS 4 -22.551 2.301 -5.339 21 HA LYS 4 HA LYS 4 -21.357 3.426 -3.775 22 HB2 LYS 4 HB2 LYS 4 -23.452 2.438 -1.828 23 HB3 LYS 4 HB1 LYS 4 -22.392 3.825 -1.611 24 HG2 LYS 4 HG2 LYS 4 -23.470 4.940 -3.507 25 HG3 LYS 4 HG1 LYS 4 -24.544 3.554 -3.701 26 HD2 LYS 4 HD2 LYS 4 -25.941 4.564 -2.291 27 HD3 LYS 4 HD1 LYS 4 -24.760 4.262 -1.012 28 HE2 LYS 4 HE2 LYS 4 -25.371 6.613 -1.070 29 HE3 LYS 4 HE1 LYS 4 -23.676 6.394 -1.510 30 HZ1 LYS 4 HZ1 LYS 4 -24.671 6.351 -3.916 31 HZ2 LYS 4 HZ2 LYS 4 -24.366 7.824 -3.134 32 HZ3 LYS 4 HZ3 LYS 4 -25.944 7.204 -3.196 33 H CYS 5 HN CYS 5 -22.086 1.702 -0.953 34 HA CYS 5 HA CYS 5 -19.527 0.276 -1.198 35 HB2 CYS 5 HB2 CYS 5 -20.871 1.591 1.118 36 HB3 CYS 5 HB1 CYS 5 -19.800 0.225 1.418 37 H SER 6 HN SER 6 -22.598 -0.470 -1.627 38 HA SER 6 HA SER 6 -23.021 -2.683 0.109 39 HB2 SER 6 HB2 SER 6 -24.865 -1.595 -1.118 40 HB3 SER 6 HB1 SER 6 -24.164 -2.123 -2.646 41 HG SER 6 HG SER 6 -24.811 -4.012 -0.645 42 H VAL 7 HN VAL 7 -21.506 -4.212 0.189 43 HA VAL 7 HA VAL 7 -19.596 -4.913 -1.588 44 HB VAL 7 HB VAL 7 -20.998 -6.894 0.211 45 HG11 VAL 7 HG11 VAL 7 -19.486 -8.347 -0.529 46 HG12 VAL 7 HG12 VAL 7 -18.220 -7.319 0.136 47 HG13 VAL 7 HG13 VAL 7 -18.730 -7.108 -1.536 48 HG21 VAL 7 HG21 VAL 7 -19.473 -4.517 0.817 49 HG22 VAL 7 HG22 VAL 7 -18.678 -5.960 1.450 50 HG23 VAL 7 HG23 VAL 7 -20.345 -5.603 1.905 51 H LEU 8 HN LEU 8 -22.621 -6.813 -1.299 52 HA LEU 8 HA LEU 8 -22.073 -8.415 -3.546 53 HB2 LEU 8 HB2 LEU 8 -23.661 -9.016 -1.752 54 HB3 LEU 8 HB1 LEU 8 -24.763 -7.781 -2.333 55 HG LEU 8 HG LEU 8 -24.958 -8.987 -4.484 56 HD11 LEU 8 HD11 LEU 8 -23.076 -10.876 -3.112 57 HD12 LEU 8 HD12 LEU 8 -22.960 -10.170 -4.725 58 HD13 LEU 8 HD13 LEU 8 -24.164 -11.417 -4.390 59 HD21 LEU 8 HD21 LEU 8 -26.612 -9.374 -2.786 60 HD22 LEU 8 HD22 LEU 8 -25.586 -10.575 -2.004 61 HD23 LEU 8 HD23 LEU 8 -26.252 -10.893 -3.607 62 H LYS 9 HN LYS 9 -23.864 -5.395 -3.233 63 HA LYS 9 HA LYS 9 -24.613 -5.441 -6.024 64 HB2 LYS 9 HB2 LYS 9 -25.200 -3.571 -3.732 65 HB3 LYS 9 HB1 LYS 9 -25.725 -3.258 -5.379 66 HG2 LYS 9 HG2 LYS 9 -27.287 -4.910 -5.354 67 HG3 LYS 9 HG1 LYS 9 -26.360 -5.916 -4.243 68 HD2 LYS 9 HD2 LYS 9 -28.230 -5.237 -3.013 69 HD3 LYS 9 HD1 LYS 9 -26.929 -4.178 -2.464 70 HE2 LYS 9 HE2 LYS 9 -27.748 -2.351 -3.724 71 HE3 LYS 9 HE1 LYS 9 -28.835 -3.390 -4.651 72 HZ1 LYS 9 HZ1 LYS 9 -29.090 -2.559 -1.813 73 HZ2 LYS 9 HZ2 LYS 9 -29.987 -3.843 -2.466 74 HZ3 LYS 9 HZ3 LYS 9 -30.169 -2.275 -3.088 75 H LYS 10 HN LYS 10 -21.830 -5.280 -5.207 76 HA LYS 10 HA LYS 10 -21.053 -2.944 -6.801 77 HB2 LYS 10 HB2 LYS 10 -20.744 -2.503 -4.304 78 HB3 LYS 10 HB1 LYS 10 -19.559 -3.798 -4.303 79 HG2 LYS 10 HG2 LYS 10 -18.415 -1.689 -4.410 80 HG3 LYS 10 HG1 LYS 10 -18.221 -2.518 -5.956 81 HD2 LYS 10 HD2 LYS 10 -20.029 -1.171 -6.909 82 HD3 LYS 10 HD1 LYS 10 -20.227 -0.342 -5.366 83 HE2 LYS 10 HE2 LYS 10 -17.486 -0.265 -6.398 84 HE3 LYS 10 HE1 LYS 10 -18.665 0.503 -7.458 85 HZ1 LYS 10 HZ1 LYS 10 -18.874 2.211 -6.092 86 HZ2 LYS 10 HZ2 LYS 10 -17.492 1.650 -5.279 87 HZ3 LYS 10 HZ3 LYS 10 -19.037 1.237 -4.714 88 H VAL 11 HN VAL 11 -21.434 -5.609 -7.578 89 HA VAL 11 HA VAL 11 -20.484 -7.362 -8.662 90 HB VAL 11 HB VAL 11 -18.075 -5.571 -8.887 91 HG11 VAL 11 HG11 VAL 11 -17.349 -7.488 -9.886 92 HG12 VAL 11 HG12 VAL 11 -18.171 -6.754 -11.264 93 HG13 VAL 11 HG13 VAL 11 -18.978 -8.008 -10.322 94 HG21 VAL 11 HG21 VAL 11 -19.800 -5.446 -11.177 95 HG22 VAL 11 HG22 VAL 11 -19.169 -4.141 -10.175 96 HG23 VAL 11 HG23 VAL 11 -20.661 -4.956 -9.716 97 H ALA 12 HN ALA 12 -20.391 -7.522 -5.931 98 HA ALA 12 HA ALA 12 -19.419 -8.564 -4.156 99 HB1 ALA 12 HB1 ALA 12 -18.848 -10.139 -6.413 100 HB2 ALA 12 HB2 ALA 12 -18.838 -10.641 -4.721 101 HB3 ALA 12 HB3 ALA 12 -17.356 -10.059 -5.478 102 H CYS 13 HN CYS 13 -18.579 -6.090 -4.617 103 HA CYS 13 HA CYS 13 -17.046 -4.505 -4.297 104 HB2 CYS 13 HB2 CYS 13 -15.270 -4.900 -2.602 105 HB3 CYS 13 HB1 CYS 13 -16.914 -5.212 -2.056 106 H ALA 14 HN ALA 14 -16.397 -6.699 -6.391 107 HA ALA 14 HA ALA 14 -13.535 -6.300 -6.675 108 HB1 ALA 14 HB1 ALA 14 -13.801 -8.346 -7.595 109 HB2 ALA 14 HB2 ALA 14 -14.455 -7.508 -9.002 110 HB3 ALA 14 HB3 ALA 14 -15.544 -8.130 -7.759 111 H ALA 15 HN ALA 15 -12.983 -5.779 -9.142 112 HA ALA 15 HA ALA 15 -12.933 -4.250 -10.826 113 HB1 ALA 15 HB1 ALA 15 -15.796 -4.163 -10.103 114 HB2 ALA 15 HB2 ALA 15 -15.022 -4.363 -11.677 115 HB3 ALA 15 HB3 ALA 15 -15.161 -2.756 -10.959 116 H ALA 16 HN ALA 16 -14.551 -2.970 -7.927 117 HA ALA 16 HA ALA 16 -13.440 -0.352 -8.163 118 HB1 ALA 16 HB1 ALA 16 -14.873 -1.854 -5.996 119 HB2 ALA 16 HB2 ALA 16 -15.390 -0.421 -6.889 120 HB3 ALA 16 HB3 ALA 16 -14.129 -0.289 -5.660 121 H ILE 17 HN ILE 17 -12.492 -3.357 -6.586 122 HA ILE 17 HA ILE 17 -10.234 -2.042 -5.323 123 HB ILE 17 HB ILE 17 -11.283 -3.697 -3.962 124 HG12 ILE 17 HG12 ILE 17 -9.313 -5.181 -3.479 125 HG13 ILE 17 HG11 ILE 17 -8.613 -4.625 -4.999 126 HG21 ILE 17 HG21 ILE 17 -10.605 -6.121 -5.336 127 HG22 ILE 17 HG22 ILE 17 -11.777 -5.143 -6.223 128 HG23 ILE 17 HG23 ILE 17 -12.116 -5.636 -4.556 129 HD11 ILE 17 HD11 ILE 17 -7.948 -3.507 -2.749 130 HD12 ILE 17 HD12 ILE 17 -9.455 -2.618 -2.977 131 HD13 ILE 17 HD13 ILE 17 -8.182 -2.526 -4.197 132 H ALA 18 HN ALA 18 -10.699 -4.797 -7.456 133 HA ALA 18 HA ALA 18 -8.068 -5.216 -8.217 134 HB1 ALA 18 HB1 ALA 18 -10.280 -5.619 -10.189 135 HB2 ALA 18 HB2 ALA 18 -10.195 -6.600 -8.726 136 HB3 ALA 18 HB3 ALA 18 -8.864 -6.620 -9.881 137 H GLY 19 HN GLY 19 -10.372 -2.865 -9.484 138 HA2 GLY 19 HA2 GLY 19 -8.680 -2.133 -11.703 139 HA3 GLY 19 HA1 GLY 19 -10.162 -1.324 -11.209 140 H ALA 20 HN ALA 20 -9.159 -1.072 -8.421 141 HA ALA 20 HA ALA 20 -7.848 1.445 -8.761 142 HB1 ALA 20 HB1 ALA 20 -8.315 1.856 -6.566 143 HB2 ALA 20 HB2 ALA 20 -8.039 0.181 -6.080 144 HB3 ALA 20 HB3 ALA 20 -9.537 0.627 -6.904 145 H VAL 21 HN VAL 21 -6.812 -1.761 -8.442 146 HA VAL 21 HA VAL 21 -4.394 -1.471 -7.060 147 HB VAL 21 HB VAL 21 -5.316 -3.462 -9.143 148 HG11 VAL 21 HG11 VAL 21 -3.204 -4.364 -7.391 149 HG12 VAL 21 HG12 VAL 21 -2.695 -3.017 -8.409 150 HG13 VAL 21 HG13 VAL 21 -3.347 -4.482 -9.143 151 HG21 VAL 21 HG21 VAL 21 -5.749 -4.923 -7.302 152 HG22 VAL 21 HG22 VAL 21 -6.524 -3.378 -6.954 153 HG23 VAL 21 HG23 VAL 21 -5.004 -3.798 -6.163 154 H ALA 22 HN ALA 22 -5.261 -1.170 -10.471 155 HA ALA 22 HA ALA 22 -2.618 -0.819 -11.444 156 HB1 ALA 22 HB1 ALA 22 -5.139 0.130 -12.780 157 HB2 ALA 22 HB2 ALA 22 -4.623 -1.558 -12.778 158 HB3 ALA 22 HB3 ALA 22 -3.613 -0.328 -13.536 159 H ALA 23 HN ALA 23 -4.800 1.276 -9.845 160 HA ALA 23 HA ALA 23 -3.897 3.738 -10.954 161 HB1 ALA 23 HB1 ALA 23 -4.923 4.527 -8.616 162 HB2 ALA 23 HB2 ALA 23 -5.651 2.923 -8.715 163 HB3 ALA 23 HB3 ALA 23 -5.922 4.098 -10.006 164 H CYS 24 HN CYS 24 -2.935 1.770 -8.209 165 HA CYS 24 HA CYS 24 -0.943 3.775 -7.436 166 HB2 CYS 24 HB2 CYS 24 -1.857 1.265 -6.025 167 HB3 CYS 24 HB1 CYS 24 -0.625 2.366 -5.418 168 H GLY 25 HN GLY 25 -1.221 0.569 -8.818 169 HA2 GLY 25 HA2 GLY 25 0.476 -0.391 -10.166 170 HA3 GLY 25 HA1 GLY 25 1.655 0.646 -9.374 171 H GLY 26 HN GLY 26 -0.385 -2.201 -8.927 172 HA2 GLY 26 HA2 GLY 26 0.704 -4.220 -8.068 173 HA3 GLY 26 HA1 GLY 26 1.599 -3.182 -6.963 174 H ILE 27 HN ILE 27 0.188 -5.339 -5.957 175 HA ILE 27 HA ILE 27 -2.220 -4.083 -4.853 176 HB ILE 27 HB ILE 27 -2.657 -6.166 -6.016 177 HG12 ILE 27 HG12 ILE 27 -3.799 -5.520 -3.729 178 HG13 ILE 27 HG11 ILE 27 -4.161 -7.048 -4.518 179 HG21 ILE 27 HG21 ILE 27 -1.828 -8.320 -4.872 180 HG22 ILE 27 HG22 ILE 27 -0.561 -7.287 -4.213 181 HG23 ILE 27 HG23 ILE 27 -0.747 -7.449 -5.960 182 HD11 ILE 27 HD11 ILE 27 -2.315 -8.018 -3.020 183 HD12 ILE 27 HD12 ILE 27 -3.874 -7.624 -2.293 184 HD13 ILE 27 HD13 ILE 27 -2.499 -6.533 -2.084 185 H ASP 28 HN ASP 28 -1.510 -2.910 -3.171 186 HA ASP 28 HA ASP 28 -0.069 -4.342 -1.037 187 HB2 ASP 28 HB2 ASP 28 -0.038 -1.365 -1.635 188 HB3 ASP 28 HB1 ASP 28 0.712 -2.112 -0.232 189 H LEU 29 HN LEU 29 -1.301 -1.216 -0.345 190 HA LEU 29 HA LEU 29 -3.961 -1.777 0.262 191 HB2 LEU 29 HB2 LEU 29 -3.118 -3.359 1.899 192 HB3 LEU 29 HB1 LEU 29 -2.112 -2.120 2.624 193 HG LEU 29 HG LEU 29 -4.131 -0.901 3.347 194 HD11 LEU 29 HD11 LEU 29 -6.276 -2.402 3.246 195 HD12 LEU 29 HD12 LEU 29 -5.487 -3.081 1.823 196 HD13 LEU 29 HD13 LEU 29 -5.854 -1.356 1.891 197 HD21 LEU 29 HD21 LEU 29 -3.987 -2.074 5.228 198 HD22 LEU 29 HD22 LEU 29 -3.136 -3.342 4.347 199 HD23 LEU 29 HD23 LEU 29 -4.891 -3.403 4.506 200 HA PRO 30 HA PRO 30 -2.712 2.291 2.583 201 HB2 PRO 30 HB2 PRO 30 0.159 2.641 2.110 202 HB3 PRO 30 HB1 PRO 30 -0.747 2.716 3.621 203 HG2 PRO 30 HG2 PRO 30 0.915 0.682 3.092 204 HG3 PRO 30 HG1 PRO 30 -0.597 0.438 3.985 205 HD2 PRO 30 HD2 PRO 30 -0.010 -0.084 1.087 206 HD3 PRO 30 HD1 PRO 30 -0.862 -1.112 2.262 207 H CYS 31 HN CYS 31 -3.430 2.006 -0.054 208 HA CYS 31 HA CYS 31 -2.932 4.597 -1.045 209 HB2 CYS 31 HB2 CYS 31 -0.832 3.550 -1.812 210 HB3 CYS 31 HB1 CYS 31 -1.762 2.315 -2.649 211 H VAL 32 HN VAL 32 -3.807 1.308 -1.973 212 HA VAL 32 HA VAL 32 -5.841 2.071 -3.793 213 HB VAL 32 HB VAL 32 -5.423 -0.597 -2.436 214 HG11 VAL 32 HG11 VAL 32 -7.318 -0.997 -3.545 215 HG12 VAL 32 HG12 VAL 32 -6.251 -1.121 -4.944 216 HG13 VAL 32 HG13 VAL 32 -7.108 0.386 -4.617 217 HG21 VAL 32 HG21 VAL 32 -4.259 0.226 -5.085 218 HG22 VAL 32 HG22 VAL 32 -3.901 -1.215 -4.137 219 HG23 VAL 32 HG23 VAL 32 -3.363 0.366 -3.574 220 H LEU 33 HN LEU 33 -5.666 1.347 -0.381 221 HA LEU 33 HA LEU 33 -8.306 0.733 0.217 222 HB2 LEU 33 HB2 LEU 33 -6.269 0.673 1.731 223 HB3 LEU 33 HB1 LEU 33 -6.486 2.396 1.951 224 HG LEU 33 HG LEU 33 -7.391 0.833 3.763 225 HD11 LEU 33 HD11 LEU 33 -8.018 3.317 3.219 226 HD12 LEU 33 HD12 LEU 33 -8.932 2.396 4.414 227 HD13 LEU 33 HD13 LEU 33 -9.571 2.602 2.782 228 HD21 LEU 33 HD21 LEU 33 -9.572 0.487 1.717 229 HD22 LEU 33 HD22 LEU 33 -9.610 -0.082 3.387 230 HD23 LEU 33 HD23 LEU 33 -8.451 -0.770 2.247 231 H ALA 34 HN ALA 34 -6.739 3.917 0.010 232 HA ALA 34 HA ALA 34 -9.061 5.386 0.733 233 HB1 ALA 34 HB1 ALA 34 -7.266 6.691 1.120 234 HB2 ALA 34 HB2 ALA 34 -7.593 7.239 -0.521 235 HB3 ALA 34 HB3 ALA 34 -6.349 6.026 -0.235 236 H ALA 35 HN ALA 35 -8.711 3.575 -1.941 237 HA ALA 35 HA ALA 35 -9.977 5.522 -3.733 238 HB1 ALA 35 HB1 ALA 35 -8.586 4.612 -5.213 239 HB2 ALA 35 HB2 ALA 35 -9.626 3.187 -5.177 240 HB3 ALA 35 HB3 ALA 35 -8.203 3.268 -4.139 241 H LEU 36 HN LEU 36 -10.503 2.355 -2.238 242 HA LEU 36 HA LEU 36 -13.233 2.388 -3.318 243 HB2 LEU 36 HB2 LEU 36 -13.352 0.067 -3.036 244 HB3 LEU 36 HB1 LEU 36 -11.738 0.358 -3.655 245 HG LEU 36 HG LEU 36 -12.299 -0.031 -0.715 246 HD11 LEU 36 HD11 LEU 36 -11.682 -2.061 -2.839 247 HD12 LEU 36 HD12 LEU 36 -13.035 -2.046 -1.708 248 HD13 LEU 36 HD13 LEU 36 -11.394 -2.342 -1.124 249 HD21 LEU 36 HD21 LEU 36 -9.852 0.087 -2.421 250 HD22 LEU 36 HD22 LEU 36 -9.852 -0.850 -0.926 251 HD23 LEU 36 HD23 LEU 36 -10.187 0.880 -0.884 252 H LYS 37 HN LYS 37 -11.804 3.573 -0.692 253 HA LYS 37 HA LYS 37 -13.183 2.448 1.459 254 HB2 LYS 37 HB2 LYS 37 -12.583 4.472 2.690 255 HB3 LYS 37 HB1 LYS 37 -11.218 3.815 1.815 256 HG2 LYS 37 HG2 LYS 37 -11.422 5.532 0.130 257 HG3 LYS 37 HG1 LYS 37 -12.888 6.150 0.894 258 HD2 LYS 37 HD2 LYS 37 -10.185 6.048 2.236 259 HD3 LYS 37 HD1 LYS 37 -10.824 7.466 1.404 260 HE2 LYS 37 HE2 LYS 37 -12.708 7.548 2.953 261 HE3 LYS 37 HE1 LYS 37 -12.112 6.098 3.762 262 HZ1 LYS 37 HZ1 LYS 37 -11.335 8.818 4.145 263 HZ2 LYS 37 HZ2 LYS 37 -9.986 7.852 3.774 264 HZ3 LYS 37 HZ3 LYS 37 -10.975 7.460 5.089 265 H ALA 38 HN ALA 38 -13.964 5.302 -0.525 266 HA ALA 38 HA ALA 38 -15.836 6.605 -0.658 267 HB1 ALA 38 HB1 ALA 38 -16.406 4.411 -1.820 268 HB2 ALA 38 HB2 ALA 38 -17.753 5.457 -1.369 269 HB3 ALA 38 HB3 ALA 38 -17.371 4.037 -0.393 270 H ALA 39 HN ALA 39 -17.869 4.429 1.056 271 HA ALA 39 HA ALA 39 -18.079 6.359 3.253 272 HB1 ALA 39 HB1 ALA 39 -20.225 6.052 2.447 273 HB2 ALA 39 HB2 ALA 39 -20.170 4.874 3.760 274 HB3 ALA 39 HB3 ALA 39 -19.961 4.344 2.089 275 H GLU 40 HN GLU 40 -19.282 3.214 3.879 276 HA GLU 40 HA GLU 40 -16.822 2.297 5.136 277 HB2 GLU 40 HB2 GLU 40 -19.382 2.658 6.710 278 HB3 GLU 40 HB1 GLU 40 -17.943 1.837 7.293 279 HG2 GLU 40 HG2 GLU 40 -16.740 4.056 6.865 280 HG3 GLU 40 HG1 GLU 40 -18.358 4.752 6.769 281 H GLY 41 HN GLY 41 -16.884 0.059 5.738 282 HA2 GLY 41 HA2 GLY 41 -17.524 -2.144 5.545 283 HA3 GLY 41 HA1 GLY 41 -19.159 -1.577 5.254 284 H CYS 42 HN CYS 42 -16.302 -0.820 3.299 285 HA CYS 42 HA CYS 42 -17.499 -2.430 1.145 286 HB2 CYS 42 HB2 CYS 42 -16.101 -0.322 -0.082 287 HB3 CYS 42 HB1 CYS 42 -17.846 -0.554 -0.018 288 H ALA 43 HN ALA 43 -14.697 -1.676 2.938 289 HA ALA 43 HA ALA 43 -13.001 -3.038 0.951 290 HB1 ALA 43 HB1 ALA 43 -12.295 -1.130 3.170 291 HB2 ALA 43 HB2 ALA 43 -12.087 -0.906 1.431 292 HB3 ALA 43 HB3 ALA 43 -11.094 -2.081 2.296 293 H SER 44 HN SER 44 -14.861 -4.041 3.202 294 HA SER 44 HA SER 44 -13.270 -5.314 5.155 295 HB2 SER 44 HB2 SER 44 -15.432 -6.800 5.263 296 HB3 SER 44 HB1 SER 44 -15.505 -5.101 5.745 297 HG SER 44 HG SER 44 -17.200 -5.761 4.262 298 H CYS 45 HN CYS 45 -14.847 -6.602 2.244 299 HA CYS 45 HA CYS 45 -13.942 -9.232 2.356 300 HB2 CYS 45 HB2 CYS 45 -14.129 -9.036 -0.239 301 HB3 CYS 45 HB1 CYS 45 -15.580 -8.824 0.745 302 H PHE 46 HN PHE 46 -12.447 -6.432 0.826 303 HA PHE 46 HA PHE 46 -10.265 -7.751 -0.335 304 HB2 PHE 46 HB2 PHE 46 -10.894 -5.516 -1.018 305 HB3 PHE 46 HB1 PHE 46 -10.596 -4.895 0.603 306 HD1 PHE 46 HD1 PHE 46 -8.814 -6.713 -2.115 307 HD2 PHE 46 HD2 PHE 46 -8.621 -3.824 0.998 308 HE1 PHE 46 HE1 PHE 46 -6.511 -6.185 -2.754 309 HE2 PHE 46 HE2 PHE 46 -6.305 -3.294 0.375 310 HZ PHE 46 HZ PHE 46 -5.234 -4.471 -1.497 311 H CYS 47 HN CYS 47 -10.596 -6.099 2.767 312 HA CYS 47 HA CYS 47 -7.890 -6.820 3.549 313 HB2 CYS 47 HB2 CYS 47 -10.054 -5.182 4.832 314 HB3 CYS 47 HB1 CYS 47 -8.477 -5.440 5.554 315 H GLU 48 HN GLU 48 -9.737 -9.103 3.449 316 HA GLU 48 HA GLU 48 -10.994 -9.812 5.763 317 HB2 GLU 48 HB2 GLU 48 -9.214 -11.570 4.049 318 HB3 GLU 48 HB1 GLU 48 -10.296 -12.186 5.287 319 HG2 GLU 48 HG2 GLU 48 -11.259 -10.558 2.959 320 HG3 GLU 48 HG1 GLU 48 -11.100 -12.313 2.906 321 H ASP 49 HN ASP 49 -7.727 -11.129 5.241 322 HA ASP 49 HA ASP 49 -7.311 -10.990 8.142 323 HB2 ASP 49 HB2 ASP 49 -6.998 -13.165 6.849 324 HB3 ASP 49 HB1 ASP 49 -5.573 -12.422 6.127 325 H HIS 50 HN HIS 50 -6.536 -9.464 5.281 326 HA HIS 50 HA HIS 50 -3.987 -8.369 6.168 327 HB2 HIS 50 HB2 HIS 50 -5.163 -7.164 3.775 328 HB3 HIS 50 HB1 HIS 50 -3.603 -7.953 3.973 329 HD2 HIS 50 HD2 HIS 50 -6.500 -8.443 1.809 330 HE1 HIS 50 HE1 HIS 50 -5.327 -12.415 2.739 331 HE2 HIS 50 HE2 HIS 50 -6.687 -10.954 1.197 332 H CYS 51 HN CYS 51 -5.270 -7.504 8.076 333 HA CYS 51 HA CYS 51 -6.316 -4.844 7.377 334 HB2 CYS 51 HB2 CYS 51 -8.044 -6.661 7.986 335 HB3 CYS 51 HB1 CYS 51 -7.437 -6.491 9.630 336 H HIS 52 HN HIS 52 -3.789 -4.700 8.020 337 HA HIS 52 HA HIS 52 -3.828 -3.871 10.819 338 HB2 HIS 52 HB2 HIS 52 -1.427 -4.591 11.013 339 HB3 HIS 52 HB1 HIS 52 -2.598 -5.897 10.904 340 HD2 HIS 52 HD2 HIS 52 -1.600 -7.830 9.338 341 HE1 HIS 52 HE1 HIS 52 0.536 -5.385 6.608 342 HE2 HIS 52 HE2 HIS 52 -0.281 -7.714 7.111 343 H GLY 53 HN GLY 53 -3.960 -2.548 8.069 344 HA2 GLY 53 HA2 GLY 53 -1.870 -0.549 8.655 345 HA3 GLY 53 HA1 GLY 53 -2.220 -1.051 7.008 346 H VAL 54 HN VAL 54 -2.993 0.780 6.126 347 HA VAL 54 HA VAL 54 -4.558 2.727 7.372 348 HB VAL 54 HB VAL 54 -5.125 3.512 5.104 349 HG11 VAL 54 HG11 VAL 54 -2.587 3.375 4.257 350 HG12 VAL 54 HG12 VAL 54 -2.363 2.878 5.934 351 HG13 VAL 54 HG13 VAL 54 -3.116 4.431 5.570 352 HG21 VAL 54 HG21 VAL 54 -3.593 1.178 3.989 353 HG22 VAL 54 HG22 VAL 54 -4.624 2.333 3.142 354 HG23 VAL 54 HG23 VAL 54 -5.342 1.125 4.210 355 H CYS 55 HN CYS 55 -5.442 -0.380 6.278 356 HA CYS 55 HA CYS 55 -8.212 0.186 5.769 357 HB2 CYS 55 HB2 CYS 55 -6.704 -1.746 4.860 358 HB3 CYS 55 HB1 CYS 55 -7.145 -2.553 6.361 359 H LYS 56 HN LYS 56 -6.319 -1.020 8.510 360 HA LYS 56 HA LYS 56 -8.700 -1.565 10.064 361 HB2 LYS 56 HB2 LYS 56 -7.213 -2.181 11.870 362 HB3 LYS 56 HB1 LYS 56 -6.678 -2.937 10.380 363 HG2 LYS 56 HG2 LYS 56 -4.664 -2.245 11.142 364 HG3 LYS 56 HG1 LYS 56 -5.130 -0.761 10.306 365 HD2 LYS 56 HD2 LYS 56 -4.292 -0.222 12.508 366 HD3 LYS 56 HD1 LYS 56 -6.024 0.116 12.439 367 HE2 LYS 56 HE2 LYS 56 -6.492 -2.012 13.543 368 HE3 LYS 56 HE1 LYS 56 -4.766 -2.368 13.607 369 HZ1 LYS 56 HZ1 LYS 56 -5.239 0.170 14.754 370 HZ2 LYS 56 HZ2 LYS 56 -4.622 -1.234 15.484 371 HZ3 LYS 56 HZ3 LYS 56 -6.294 -0.960 15.462 372 H ASP 57 HN ASP 57 -7.126 1.158 9.163 373 HA ASP 57 HA ASP 57 -7.134 2.734 11.517 374 HB2 ASP 57 HB2 ASP 57 -5.843 3.349 9.518 375 HB3 ASP 57 HB1 ASP 57 -7.332 3.542 8.603 376 H LEU 58 HN LEU 58 -9.540 1.766 9.235 377 HA LEU 58 HA LEU 58 -11.520 3.619 10.353 378 HB2 LEU 58 HB2 LEU 58 -11.794 1.737 8.010 379 HB3 LEU 58 HB1 LEU 58 -12.906 3.010 8.467 380 HG LEU 58 HG LEU 58 -10.075 3.489 7.526 381 HD11 LEU 58 HD11 LEU 58 -11.147 4.283 5.452 382 HD12 LEU 58 HD12 LEU 58 -12.692 3.676 6.045 383 HD13 LEU 58 HD13 LEU 58 -11.370 2.554 5.718 384 HD21 LEU 58 HD21 LEU 58 -12.305 5.487 7.644 385 HD22 LEU 58 HD22 LEU 58 -10.563 5.761 7.543 386 HD23 LEU 58 HD23 LEU 58 -11.279 5.176 9.045 387 H HIS 59 HN HIS 59 -10.480 0.378 10.432 388 HA HIS 59 HA HIS 59 -11.115 -1.476 11.555 389 HB2 HIS 59 HB2 HIS 59 -11.689 0.415 13.313 390 HB3 HIS 59 HB1 HIS 59 -13.346 -0.068 12.965 391 HD2 HIS 59 HD2 HIS 59 -10.443 -1.125 15.157 392 HE1 HIS 59 HE1 HIS 59 -13.103 -4.429 15.078 393 HE2 HIS 59 HE2 HIS 59 -10.926 -3.528 15.983 394 H LEU 60 HN LEU 60 -11.824 -2.224 9.481 395 HA LEU 60 HA LEU 60 -14.733 -2.574 9.301 396 HB2 LEU 60 HB2 LEU 60 -12.707 -1.971 7.199 397 HB3 LEU 60 HB1 LEU 60 -14.055 -2.999 6.772 398 HG LEU 60 HG LEU 60 -15.613 -1.172 7.415 399 HD11 LEU 60 HD11 LEU 60 -13.604 -0.121 8.835 400 HD12 LEU 60 HD12 LEU 60 -14.972 0.818 8.234 401 HD13 LEU 60 HD13 LEU 60 -13.443 0.814 7.352 402 HD21 LEU 60 HD21 LEU 60 -14.596 0.420 5.524 403 HD22 LEU 60 HD22 LEU 60 -15.376 -1.123 5.172 404 HD23 LEU 60 HD23 LEU 60 -13.618 -1.019 5.246 405 H CYS 61 HN CYS 61 -11.631 -4.037 9.341 406 HA CYS 61 HA CYS 61 -12.841 -6.675 8.850 407 HB2 CYS 61 HB2 CYS 61 -10.302 -7.093 8.046 408 HB3 CYS 61 HB1 CYS 61 -11.565 -6.551 6.951 409 H1 ALA 62 HT1 ALA 62 32.520 -1.027 11.193 410 H2 ALA 62 HT2 ALA 62 31.489 -1.958 10.187 411 H3 ALA 62 HT3 ALA 62 32.150 -2.646 11.620 412 HA ALA 62 HA ALA 62 30.923 -1.151 12.958 413 HB1 ALA 62 HB1 ALA 62 29.264 0.347 11.962 414 HB2 ALA 62 HB2 ALA 62 29.808 -0.113 10.349 415 HB3 ALA 62 HB3 ALA 62 30.896 0.759 11.435 416 H MET 63 HN MET 63 28.550 -1.470 13.404 417 HA MET 63 HA MET 63 27.531 -3.838 11.985 418 HB2 MET 63 HB2 MET 63 28.495 -4.613 14.052 419 HB3 MET 63 HB1 MET 63 27.661 -3.371 14.968 420 HG2 MET 63 HG2 MET 63 26.005 -5.285 13.426 421 HG3 MET 63 HG1 MET 63 26.818 -5.876 14.874 422 HE1 MET 63 HE1 MET 63 24.511 -6.364 16.357 423 HE2 MET 63 HE2 MET 63 23.921 -6.205 14.702 424 HE3 MET 63 HE3 MET 63 23.101 -5.356 16.012 425 H GLY 64 HN GLY 64 25.439 -3.791 11.423 426 HA2 GLY 64 HA2 GLY 64 23.161 -3.260 11.744 427 HA3 GLY 64 HA1 GLY 64 23.639 -1.950 12.803 428 H LYS 65 HN LYS 65 23.307 -0.009 12.049 429 HA LYS 65 HA LYS 65 22.953 1.755 10.686 430 HB2 LYS 65 HB2 LYS 65 24.659 0.132 8.794 431 HB3 LYS 65 HB1 LYS 65 24.010 1.710 8.365 432 HG2 LYS 65 HG2 LYS 65 25.932 1.076 10.593 433 HG3 LYS 65 HG1 LYS 65 26.260 1.990 9.118 434 HD2 LYS 65 HD2 LYS 65 24.585 3.671 9.864 435 HD3 LYS 65 HD1 LYS 65 24.427 2.788 11.382 436 HE2 LYS 65 HE2 LYS 65 25.937 4.595 11.749 437 HE3 LYS 65 HE1 LYS 65 26.873 3.101 11.742 438 HZ1 LYS 65 HZ1 LYS 65 26.883 3.951 9.130 439 HZ2 LYS 65 HZ2 LYS 65 28.165 4.083 10.240 440 HZ3 LYS 65 HZ3 LYS 65 27.076 5.371 10.029 441 H CYS 66 HN CYS 66 22.922 0.154 7.674 442 HA CYS 66 HA CYS 66 20.247 -0.815 7.768 443 HB2 CYS 66 HB2 CYS 66 20.140 1.808 7.772 444 HB3 CYS 66 HB1 CYS 66 20.504 1.629 6.058 445 H SER 67 HN SER 67 21.163 -2.591 6.757 446 HA SER 67 HA SER 67 21.944 -2.164 3.947 447 HB2 SER 67 HB2 SER 67 23.892 -2.810 5.342 448 HB3 SER 67 HB1 SER 67 23.032 -4.263 5.848 449 HG SER 67 HG SER 67 23.800 -3.608 3.186 450 H VAL 68 HN VAL 68 21.593 -4.148 2.593 451 HA VAL 68 HA VAL 68 19.006 -5.327 3.298 452 HB VAL 68 HB VAL 68 20.422 -5.437 0.626 453 HG11 VAL 68 HG11 VAL 68 18.663 -6.558 -0.161 454 HG12 VAL 68 HG12 VAL 68 17.509 -5.534 0.696 455 HG13 VAL 68 HG13 VAL 68 18.279 -6.885 1.529 456 HG21 VAL 68 HG21 VAL 68 18.865 -3.279 1.881 457 HG22 VAL 68 HG22 VAL 68 18.382 -3.703 0.240 458 HG23 VAL 68 HG23 VAL 68 20.043 -3.217 0.569 459 H LEU 69 HN LEU 69 22.066 -6.337 1.776 460 HA LEU 69 HA LEU 69 21.551 -9.102 2.034 461 HB2 LEU 69 HB2 LEU 69 23.127 -8.185 0.395 462 HB3 LEU 69 HB1 LEU 69 24.180 -7.662 1.699 463 HG LEU 69 HG LEU 69 24.444 -10.055 2.360 464 HD11 LEU 69 HD11 LEU 69 22.300 -10.744 1.182 465 HD12 LEU 69 HD12 LEU 69 23.693 -11.812 0.997 466 HD13 LEU 69 HD13 LEU 69 23.239 -10.715 -0.309 467 HD21 LEU 69 HD21 LEU 69 25.630 -10.544 -0.030 468 HD22 LEU 69 HD22 LEU 69 26.317 -9.523 1.234 469 HD23 LEU 69 HD23 LEU 69 25.427 -8.791 -0.103 470 H LYS 70 HN LYS 70 23.564 -6.874 3.961 471 HA LYS 70 HA LYS 70 24.542 -8.765 5.777 472 HB2 LYS 70 HB2 LYS 70 24.006 -5.822 6.173 473 HB3 LYS 70 HB1 LYS 70 24.980 -6.827 7.226 474 HG2 LYS 70 HG2 LYS 70 26.533 -7.247 5.376 475 HG3 LYS 70 HG1 LYS 70 25.570 -6.175 4.354 476 HD2 LYS 70 HD2 LYS 70 25.966 -4.339 5.970 477 HD3 LYS 70 HD1 LYS 70 27.006 -5.415 6.906 478 HE2 LYS 70 HE2 LYS 70 28.478 -5.662 4.970 479 HE3 LYS 70 HE1 LYS 70 27.441 -4.577 4.042 480 HZ1 LYS 70 HZ1 LYS 70 29.574 -3.731 5.307 481 HZ2 LYS 70 HZ2 LYS 70 28.488 -3.602 6.603 482 HZ3 LYS 70 HZ3 LYS 70 28.188 -2.758 5.157 483 H LYS 71 HN LYS 71 21.441 -7.364 5.478 484 HA LYS 71 HA LYS 71 20.689 -7.876 8.233 485 HB2 LYS 71 HB2 LYS 71 19.633 -6.325 6.022 486 HB3 LYS 71 HB1 LYS 71 18.380 -7.345 6.721 487 HG2 LYS 71 HG2 LYS 71 20.131 -5.571 8.400 488 HG3 LYS 71 HG1 LYS 71 18.624 -5.011 7.675 489 HD2 LYS 71 HD2 LYS 71 17.350 -6.620 8.913 490 HD3 LYS 71 HD1 LYS 71 18.819 -7.432 9.467 491 HE2 LYS 71 HE2 LYS 71 17.787 -5.978 11.186 492 HE3 LYS 71 HE1 LYS 71 19.448 -5.537 10.785 493 HZ1 LYS 71 HZ1 LYS 71 17.468 -3.781 10.913 494 HZ2 LYS 71 HZ2 LYS 71 17.376 -4.184 9.268 495 HZ3 LYS 71 HZ3 LYS 71 18.823 -3.591 9.908 496 H VAL 72 HN VAL 72 21.563 -10.105 6.562 497 HA VAL 72 HA VAL 72 21.038 -12.254 6.064 498 HB VAL 72 HB VAL 72 18.704 -11.835 7.916 499 HG11 VAL 72 HG11 VAL 72 18.402 -14.053 7.867 500 HG12 VAL 72 HG12 VAL 72 20.118 -14.351 8.147 501 HG13 VAL 72 HG13 VAL 72 19.524 -14.087 6.506 502 HG21 VAL 72 HG21 VAL 72 21.234 -11.226 8.641 503 HG22 VAL 72 HG22 VAL 72 21.175 -12.938 9.059 504 HG23 VAL 72 HG23 VAL 72 20.001 -11.817 9.754 505 H ALA 73 HN ALA 73 20.266 -10.488 4.185 506 HA ALA 73 HA ALA 73 18.930 -10.122 2.388 507 HB1 ALA 73 HB1 ALA 73 17.244 -12.489 2.619 508 HB2 ALA 73 HB2 ALA 73 18.966 -12.860 2.734 509 HB3 ALA 73 HB3 ALA 73 18.342 -12.002 1.324 510 H CYS 74 HN CYS 74 18.282 -9.051 4.820 511 HA CYS 74 HA CYS 74 16.734 -8.081 6.103 512 HB2 CYS 74 HB2 CYS 74 14.826 -7.017 4.927 513 HB3 CYS 74 HB1 CYS 74 16.404 -6.667 4.235 514 H ALA 75 HN ALA 75 16.500 -10.998 5.930 515 HA ALA 75 HA ALA 75 13.647 -11.396 6.265 516 HB1 ALA 75 HB1 ALA 75 14.956 -13.114 5.069 517 HB2 ALA 75 HB2 ALA 75 14.178 -13.762 6.516 518 HB3 ALA 75 HB3 ALA 75 15.902 -13.387 6.536 519 H ALA 76 HN ALA 76 13.387 -13.108 8.297 520 HA ALA 76 HA ALA 76 13.291 -13.379 10.554 521 HB1 ALA 76 HB1 ALA 76 15.144 -12.126 11.930 522 HB2 ALA 76 HB2 ALA 76 15.904 -11.953 10.347 523 HB3 ALA 76 HB3 ALA 76 15.534 -13.560 10.981 524 H ALA 77 HN ALA 77 14.145 -10.056 9.672 525 HA ALA 77 HA ALA 77 12.520 -8.904 11.739 526 HB1 ALA 77 HB1 ALA 77 14.493 -7.980 9.881 527 HB2 ALA 77 HB2 ALA 77 13.855 -7.175 11.314 528 HB3 ALA 77 HB3 ALA 77 13.055 -6.968 9.755 529 H ILE 78 HN ILE 78 12.283 -9.134 8.176 530 HA ILE 78 HA ILE 78 9.605 -8.087 8.255 531 HB ILE 78 HB ILE 78 11.256 -7.738 6.355 532 HG12 ILE 78 HG12 ILE 78 9.395 -7.707 4.677 533 HG13 ILE 78 HG11 ILE 78 8.440 -8.654 5.813 534 HG21 ILE 78 HG21 ILE 78 10.367 -9.835 4.677 535 HG22 ILE 78 HG22 ILE 78 11.159 -10.523 6.097 536 HG23 ILE 78 HG23 ILE 78 12.016 -9.349 5.084 537 HD11 ILE 78 HD11 ILE 78 8.956 -6.703 7.449 538 HD12 ILE 78 HD12 ILE 78 7.702 -6.532 6.222 539 HD13 ILE 78 HD13 ILE 78 9.289 -5.810 5.963 540 H ALA 79 HN ALA 79 11.158 -11.162 7.740 541 HA ALA 79 HA ALA 79 8.829 -12.676 7.210 542 HB1 ALA 79 HB1 ALA 79 11.155 -13.413 6.691 543 HB2 ALA 79 HB2 ALA 79 10.173 -14.629 7.508 544 HB3 ALA 79 HB3 ALA 79 11.385 -13.724 8.415 545 H GLY 80 HN GLY 80 10.322 -11.635 10.185 546 HA2 GLY 80 HA2 GLY 80 8.757 -13.432 11.834 547 HA3 GLY 80 HA1 GLY 80 9.829 -12.159 12.400 548 H ALA 81 HN ALA 81 8.619 -10.100 10.748 549 HA ALA 81 HA ALA 81 6.582 -9.266 12.535 550 HB1 ALA 81 HB1 ALA 81 6.609 -7.249 11.436 551 HB2 ALA 81 HB2 ALA 81 6.937 -7.984 9.866 552 HB3 ALA 81 HB3 ALA 81 8.222 -7.859 11.070 553 H VAL 82 HN VAL 82 6.583 -11.164 9.695 554 HA VAL 82 HA VAL 82 4.035 -10.682 8.652 555 HB VAL 82 HB VAL 82 5.739 -13.190 8.662 556 HG11 VAL 82 HG11 VAL 82 3.082 -13.155 8.149 557 HG12 VAL 82 HG12 VAL 82 4.231 -14.294 7.444 558 HG13 VAL 82 HG13 VAL 82 3.753 -12.851 6.549 559 HG21 VAL 82 HG21 VAL 82 6.583 -12.516 6.610 560 HG22 VAL 82 HG22 VAL 82 6.491 -10.996 7.505 561 HG23 VAL 82 HG23 VAL 82 5.250 -11.396 6.317 562 H ALA 83 HN ALA 83 5.172 -13.140 10.955 563 HA ALA 83 HA ALA 83 2.542 -14.090 11.540 564 HB1 ALA 83 HB1 ALA 83 4.673 -14.645 13.483 565 HB2 ALA 83 HB2 ALA 83 5.018 -15.142 11.826 566 HB3 ALA 83 HB3 ALA 83 3.581 -15.748 12.651 567 H ALA 84 HN ALA 84 4.807 -11.850 13.013 568 HA ALA 84 HA ALA 84 3.573 -11.515 15.503 569 HB1 ALA 84 HB1 ALA 84 4.917 -9.211 14.168 570 HB2 ALA 84 HB2 ALA 84 5.855 -10.646 14.579 571 HB3 ALA 84 HB3 ALA 84 5.011 -9.757 15.844 572 H CYS 85 HN CYS 85 3.028 -9.782 12.440 573 HA CYS 85 HA CYS 85 0.939 -8.201 13.716 574 HB2 CYS 85 HB2 CYS 85 2.675 -7.399 11.907 575 HB3 CYS 85 HB1 CYS 85 1.489 -8.056 10.784 576 H GLY 86 HN GLY 86 1.154 -11.176 12.210 577 HA2 GLY 86 HA2 GLY 86 -0.520 -12.685 11.708 578 HA3 GLY 86 HA1 GLY 86 -1.691 -11.466 12.183 579 H GLY 87 HN GLY 87 0.774 -11.506 9.615 580 HA2 GLY 87 HA2 GLY 87 -0.398 -12.118 7.356 581 HA3 GLY 87 HA1 GLY 87 -1.308 -10.658 7.724 582 H ILE 88 HN ILE 88 0.841 -11.528 5.648 583 HA ILE 88 HA ILE 88 2.706 -9.333 6.158 584 HB ILE 88 HB ILE 88 3.786 -11.466 5.730 585 HG12 ILE 88 HG12 ILE 88 4.690 -9.228 4.758 586 HG13 ILE 88 HG11 ILE 88 5.434 -10.747 4.282 587 HG21 ILE 88 HG21 ILE 88 3.659 -12.386 3.339 588 HG22 ILE 88 HG22 ILE 88 2.145 -11.487 3.235 589 HG23 ILE 88 HG23 ILE 88 2.338 -12.748 4.455 590 HD11 ILE 88 HD11 ILE 88 3.299 -10.104 2.485 591 HD12 ILE 88 HD12 ILE 88 5.016 -10.343 2.156 592 HD13 ILE 88 HD13 ILE 88 4.421 -8.749 2.616 593 H ASP 89 HN ASP 89 2.038 -7.476 5.405 594 HA ASP 89 HA ASP 89 0.879 -7.349 2.696 595 HB2 ASP 89 HB2 ASP 89 0.310 -5.528 5.054 596 HB3 ASP 89 HB1 ASP 89 -0.303 -5.287 3.426 597 H LEU 90 HN LEU 90 1.778 -4.751 4.832 598 HA LEU 90 HA LEU 90 4.387 -4.255 4.065 599 HB2 LEU 90 HB2 LEU 90 3.594 -3.874 1.814 600 HB3 LEU 90 HB1 LEU 90 2.365 -2.764 2.389 601 HG LEU 90 HG LEU 90 4.124 -1.173 3.089 602 HD11 LEU 90 HD11 LEU 90 5.879 -3.422 2.268 603 HD12 LEU 90 HD12 LEU 90 6.076 -2.231 3.562 604 HD13 LEU 90 HD13 LEU 90 6.414 -1.778 1.887 605 HD21 LEU 90 HD21 LEU 90 5.111 -1.050 0.581 606 HD22 LEU 90 HD22 LEU 90 3.510 -0.475 1.046 607 HD23 LEU 90 HD23 LEU 90 3.698 -2.074 0.321 608 HA PRO 91 HA PRO 91 2.104 -0.154 5.894 609 HB2 PRO 91 HB2 PRO 91 -0.049 -1.285 7.376 610 HB3 PRO 91 HB1 PRO 91 -0.137 -0.140 6.036 611 HG2 PRO 91 HG2 PRO 91 -0.438 -3.095 6.029 612 HG3 PRO 91 HG1 PRO 91 -1.174 -1.884 4.962 613 HD2 PRO 91 HD2 PRO 91 0.798 -3.450 4.093 614 HD3 PRO 91 HD1 PRO 91 0.717 -1.738 3.620 615 H CYS 92 HN CYS 92 1.108 -2.892 7.939 616 HA CYS 92 HA CYS 92 2.436 -1.789 10.181 617 HB2 CYS 92 HB2 CYS 92 0.567 -2.963 10.809 618 HB3 CYS 92 HB1 CYS 92 0.862 -4.259 9.655 619 H VAL 93 HN VAL 93 3.224 -4.441 8.014 620 HA VAL 93 HA VAL 93 5.335 -5.517 9.500 621 HB VAL 93 HB VAL 93 5.382 -5.678 6.537 622 HG11 VAL 93 HG11 VAL 93 6.878 -7.096 7.669 623 HG12 VAL 93 HG12 VAL 93 5.545 -8.128 7.148 624 HG13 VAL 93 HG13 VAL 93 5.644 -7.594 8.825 625 HG21 VAL 93 HG21 VAL 93 2.951 -6.016 8.035 626 HG22 VAL 93 HG22 VAL 93 3.449 -7.543 7.313 627 HG23 VAL 93 HG23 VAL 93 3.218 -6.123 6.297 628 H LEU 94 HN LEU 94 5.187 -2.740 7.412 629 HA LEU 94 HA LEU 94 7.914 -2.580 6.679 630 HB2 LEU 94 HB2 LEU 94 5.814 -1.369 5.750 631 HB3 LEU 94 HB1 LEU 94 6.139 -0.187 6.997 632 HG LEU 94 HG LEU 94 7.006 0.275 4.635 633 HD11 LEU 94 HD11 LEU 94 8.490 1.721 5.511 634 HD12 LEU 94 HD12 LEU 94 9.302 0.478 6.459 635 HD13 LEU 94 HD13 LEU 94 7.790 1.176 7.037 636 HD21 LEU 94 HD21 LEU 94 8.031 -1.642 3.904 637 HD22 LEU 94 HD22 LEU 94 8.750 -1.992 5.473 638 HD23 LEU 94 HD23 LEU 94 9.420 -0.711 4.465 639 H ALA 95 HN ALA 95 6.100 -1.154 9.368 640 HA ALA 95 HA ALA 95 8.122 0.521 10.339 641 HB1 ALA 95 HB1 ALA 95 6.832 0.443 12.488 642 HB2 ALA 95 HB2 ALA 95 5.773 -0.740 11.725 643 HB3 ALA 95 HB3 ALA 95 5.898 0.888 11.060 644 H ALA 96 HN ALA 96 8.126 -2.862 10.357 645 HA ALA 96 HA ALA 96 9.574 -3.109 12.861 646 HB1 ALA 96 HB1 ALA 96 9.716 -5.518 11.394 647 HB2 ALA 96 HB2 ALA 96 8.091 -4.865 11.190 648 HB3 ALA 96 HB3 ALA 96 8.730 -5.149 12.808 649 H LEU 97 HN LEU 97 10.312 -3.249 9.397 650 HA LEU 97 HA LEU 97 13.160 -3.529 10.123 651 HB2 LEU 97 HB2 LEU 97 13.561 -4.727 8.181 652 HB3 LEU 97 HB1 LEU 97 11.994 -5.325 8.692 653 HG LEU 97 HG LEU 97 12.457 -3.269 6.520 654 HD11 LEU 97 HD11 LEU 97 13.210 -5.297 5.647 655 HD12 LEU 97 HD12 LEU 97 11.543 -5.157 5.084 656 HD13 LEU 97 HD13 LEU 97 11.932 -6.217 6.439 657 HD21 LEU 97 HD21 LEU 97 10.325 -2.736 6.949 658 HD22 LEU 97 HD22 LEU 97 10.041 -4.199 7.892 659 HD23 LEU 97 HD23 LEU 97 9.956 -4.255 6.133 660 H LYS 98 HN LYS 98 11.346 -1.052 9.679 661 HA LYS 98 HA LYS 98 12.356 0.182 7.334 662 HB2 LYS 98 HB2 LYS 98 10.218 0.746 8.695 663 HB3 LYS 98 HB1 LYS 98 11.288 1.762 9.651 664 HG2 LYS 98 HG2 LYS 98 11.635 2.163 6.800 665 HG3 LYS 98 HG1 LYS 98 9.982 2.471 7.329 666 HD2 LYS 98 HD2 LYS 98 12.415 3.682 8.644 667 HD3 LYS 98 HD1 LYS 98 11.514 4.460 7.340 668 HE2 LYS 98 HE2 LYS 98 9.455 4.213 8.814 669 HE3 LYS 98 HE1 LYS 98 10.569 3.794 10.118 670 HZ1 LYS 98 HZ1 LYS 98 11.646 6.055 9.070 671 HZ2 LYS 98 HZ2 LYS 98 10.689 5.980 10.468 672 HZ3 LYS 98 HZ3 LYS 98 9.979 6.355 8.967 673 H ALA 99 HN ALA 99 12.762 1.679 10.512 674 HA ALA 99 HA ALA 99 14.527 2.658 11.551 675 HB1 ALA 99 HB1 ALA 99 16.883 1.727 10.662 676 HB2 ALA 99 HB2 ALA 99 15.825 0.428 10.109 677 HB3 ALA 99 HB3 ALA 99 15.870 0.859 11.819 678 H ALA 100 HN ALA 100 16.289 2.151 8.524 679 HA ALA 100 HA ALA 100 15.973 4.997 7.872 680 HB1 ALA 100 HB1 ALA 100 18.639 3.584 7.846 681 HB2 ALA 100 HB2 ALA 100 18.106 4.688 9.112 682 HB3 ALA 100 HB3 ALA 100 18.331 5.275 7.466 683 H GLU 101 HN GLU 101 17.709 5.007 5.659 684 HA GLU 101 HA GLU 101 16.087 3.535 3.768 685 HB2 GLU 101 HB2 GLU 101 18.444 5.365 3.293 686 HB3 GLU 101 HB1 GLU 101 17.389 4.717 2.048 687 HG2 GLU 101 HG2 GLU 101 15.493 5.913 3.143 688 HG3 GLU 101 HG1 GLU 101 16.674 6.679 4.208 689 H GLY 102 HN GLY 102 16.645 1.699 2.733 690 HA2 GLY 102 HA2 GLY 102 18.347 0.371 1.633 691 HA3 GLY 102 HA1 GLY 102 19.460 0.843 2.906 692 H CYS 103 HN CYS 103 16.466 0.120 4.250 693 HA CYS 103 HA CYS 103 17.434 -2.583 4.894 694 HB2 CYS 103 HB2 CYS 103 15.724 -0.694 6.519 695 HB3 CYS 103 HB1 CYS 103 16.024 -2.371 6.965 696 H ALA 104 HN ALA 104 14.504 -0.724 4.177 697 HA ALA 104 HA ALA 104 13.017 -3.218 3.830 698 HB1 ALA 104 HB1 ALA 104 12.143 -0.338 3.897 699 HB2 ALA 104 HB2 ALA 104 11.846 -1.586 5.105 700 HB3 ALA 104 HB3 ALA 104 11.060 -1.678 3.529 701 H SER 105 HN SER 105 15.024 -1.476 2.004 702 HA SER 105 HA SER 105 13.768 -0.855 -0.376 703 HB2 SER 105 HB2 SER 105 16.535 -2.047 -0.218 704 HB3 SER 105 HB1 SER 105 15.926 -0.852 -1.365 705 HG SER 105 HG SER 105 16.933 0.409 0.053 706 H CYS 106 HN CYS 106 15.102 -3.981 0.651 707 HA CYS 106 HA CYS 106 14.848 -5.401 -1.729 708 HB2 CYS 106 HB2 CYS 106 14.456 -7.402 -0.117 709 HB3 CYS 106 HB1 CYS 106 15.984 -6.526 -0.017 710 H PHE 107 HN PHE 107 12.574 -5.464 0.988 711 HA PHE 107 HA PHE 107 10.520 -6.840 -0.277 712 HB2 PHE 107 HB2 PHE 107 10.775 -6.481 2.153 713 HB3 PHE 107 HB1 PHE 107 10.366 -4.788 1.939 714 HD1 PHE 107 HD2 PHE 107 8.216 -6.245 -0.286 715 HD2 PHE 107 HD1 PHE 107 8.956 -6.067 3.894 716 HE1 PHE 107 HE2 PHE 107 5.852 -6.770 0.153 717 HE2 PHE 107 HE1 PHE 107 6.621 -6.602 4.344 718 HZ PHE 107 HZ PHE 107 5.046 -6.937 2.471 719 H CYS 108 HN CYS 108 10.777 -3.312 0.268 720 HA CYS 108 HA CYS 108 8.472 -2.747 -1.326 721 HB2 CYS 108 HB2 CYS 108 10.602 -0.790 -0.520 722 HB3 CYS 108 HB1 CYS 108 8.907 -0.469 -0.868 723 H GLU 109 HN GLU 109 10.891 -4.053 -2.701 724 HA GLU 109 HA GLU 109 12.041 -2.152 -4.423 725 HB2 GLU 109 HB2 GLU 109 12.870 -4.475 -4.014 726 HB3 GLU 109 HB1 GLU 109 11.531 -5.081 -4.968 727 HG2 GLU 109 HG2 GLU 109 13.534 -5.058 -6.294 728 HG3 GLU 109 HG1 GLU 109 12.370 -3.898 -6.927 729 H ASP 110 HN ASP 110 9.459 -4.517 -5.112 730 HA ASP 110 HA ASP 110 8.680 -2.959 -7.461 731 HB2 ASP 110 HB2 ASP 110 8.946 -5.506 -7.470 732 HB3 ASP 110 HB1 ASP 110 7.459 -5.557 -6.528 733 H HIS 111 HN HIS 111 7.781 -3.560 -4.238 734 HA HIS 111 HA HIS 111 5.047 -2.574 -4.550 735 HB2 HIS 111 HB2 HIS 111 6.436 -3.281 -1.959 736 HB3 HIS 111 HB1 HIS 111 4.708 -3.251 -2.291 737 HD2 HIS 111 HD2 HIS 111 7.623 -5.713 -2.273 738 HE1 HIS 111 HE1 HIS 111 4.414 -7.650 -4.271 739 HE2 HIS 111 HE2 HIS 111 6.581 -7.971 -3.015 740 H CYS 112 HN CYS 112 5.442 -0.371 -5.119 741 HA CYS 112 HA CYS 112 6.671 1.207 -2.955 742 HB2 CYS 112 HB2 CYS 112 6.835 1.623 -5.930 743 HB3 CYS 112 HB1 CYS 112 7.269 2.870 -4.768 744 H HIS 113 HN HIS 113 3.892 0.833 -2.778 745 HA HIS 113 HA HIS 113 3.128 3.583 -3.189 746 HB2 HIS 113 HB2 HIS 113 1.034 3.161 -4.206 747 HB3 HIS 113 HB1 HIS 113 2.269 2.378 -5.165 748 HD2 HIS 113 HD2 HIS 113 1.710 -0.183 -5.770 749 HE1 HIS 113 HE1 HIS 113 -1.465 -0.741 -3.014 750 HE2 HIS 113 HE2 HIS 113 -0.283 -1.659 -5.046 751 H GLY 114 HN GLY 114 3.570 1.296 -1.060 752 HA2 GLY 114 HA2 GLY 114 1.169 1.857 0.537 753 HA3 GLY 114 HA1 GLY 114 2.364 0.611 0.885 754 H VAL 115 HN VAL 115 2.602 1.383 3.061 755 HA VAL 115 HA VAL 115 3.278 4.072 3.694 756 HB VAL 115 HB VAL 115 3.986 3.207 5.879 757 HG11 VAL 115 HG11 VAL 115 1.810 1.918 6.395 758 HG12 VAL 115 HG12 VAL 115 1.403 2.253 4.711 759 HG13 VAL 115 HG13 VAL 115 1.697 3.586 5.832 760 HG21 VAL 115 HG21 VAL 115 4.276 0.752 4.394 761 HG22 VAL 115 HG22 VAL 115 3.283 0.522 5.834 762 HG23 VAL 115 HG23 VAL 115 4.906 1.194 5.980 763 H CYS 116 HN CYS 116 5.063 1.795 2.033 764 HA CYS 116 HA CYS 116 7.626 2.495 3.151 765 HB2 CYS 116 HB2 CYS 116 6.831 0.323 1.795 766 HB3 CYS 116 HB1 CYS 116 7.452 1.277 0.449 767 H LYS 117 HN LYS 117 5.475 3.633 0.707 768 HA LYS 117 HA LYS 117 7.567 5.370 -0.379 769 HB2 LYS 117 HB2 LYS 117 5.957 6.033 -2.109 770 HB3 LYS 117 HB1 LYS 117 6.217 4.299 -2.084 771 HG2 LYS 117 HG2 LYS 117 3.927 4.575 -2.440 772 HG3 LYS 117 HG1 LYS 117 4.067 4.142 -0.738 773 HD2 LYS 117 HD2 LYS 117 2.454 5.911 -0.980 774 HD3 LYS 117 HD1 LYS 117 3.878 6.541 -0.155 775 HE2 LYS 117 HE2 LYS 117 3.309 8.198 -1.701 776 HE3 LYS 117 HE1 LYS 117 4.650 7.337 -2.455 777 HZ1 LYS 117 HZ1 LYS 117 2.422 7.900 -3.736 778 HZ2 LYS 117 HZ2 LYS 117 1.950 6.412 -3.080 779 HZ3 LYS 117 HZ3 LYS 117 3.317 6.497 -4.082 780 H ASP 118 HN ASP 118 5.674 5.422 2.214 781 HA ASP 118 HA ASP 118 4.199 7.731 2.321 782 HB2 ASP 118 HB2 ASP 118 4.166 6.414 4.257 783 HB3 ASP 118 HB1 ASP 118 5.915 6.339 4.367 784 H LEU 119 HN LEU 119 7.657 7.338 2.571 785 HA LEU 119 HA LEU 119 8.029 10.237 2.218 786 HB2 LEU 119 HB2 LEU 119 10.041 8.156 3.115 787 HB3 LEU 119 HB1 LEU 119 10.354 9.870 2.937 788 HG LEU 119 HG LEU 119 8.481 8.625 4.955 789 HD11 LEU 119 HD11 LEU 119 11.239 9.812 5.185 790 HD12 LEU 119 HD12 LEU 119 10.732 8.172 5.587 791 HD13 LEU 119 HD13 LEU 119 10.177 9.529 6.565 792 HD21 LEU 119 HD21 LEU 119 7.523 10.633 4.973 793 HD22 LEU 119 HD22 LEU 119 8.790 11.347 3.977 794 HD23 LEU 119 HD23 LEU 119 9.008 11.216 5.724 795 H HIS 120 HN HIS 120 9.610 7.183 1.473 796 HA HIS 120 HA HIS 120 9.317 6.475 -0.964 797 HB2 HIS 120 HB2 HIS 120 9.737 9.032 -1.567 798 HB3 HIS 120 HB1 HIS 120 11.422 8.511 -1.555 799 HD2 HIS 120 HD2 HIS 120 8.660 8.763 -4.029 800 HE1 HIS 120 HE1 HIS 120 10.978 5.461 -5.350 801 HE2 HIS 120 HE2 HIS 120 9.001 6.947 -5.851 802 H LEU 121 HN LEU 121 10.232 4.679 -0.022 803 HA LEU 121 HA LEU 121 13.118 4.805 0.437 804 HB2 LEU 121 HB2 LEU 121 11.145 2.865 1.618 805 HB3 LEU 121 HB1 LEU 121 12.853 2.972 1.998 806 HG LEU 121 HG LEU 121 10.827 5.141 2.570 807 HD11 LEU 121 HD11 LEU 121 12.007 2.979 4.279 808 HD12 LEU 121 HD12 LEU 121 10.309 3.400 4.052 809 HD13 LEU 121 HD13 LEU 121 11.372 4.474 4.963 810 HD21 LEU 121 HD21 LEU 121 12.645 6.425 2.699 811 HD22 LEU 121 HD22 LEU 121 13.734 5.041 2.627 812 HD23 LEU 121 HD23 LEU 121 13.028 5.525 4.167 813 H CYS 122 HN CYS 122 11.919 4.238 -2.197 814 HA CYS 122 HA CYS 122 13.427 1.834 -2.721 815 HB2 CYS 122 HB2 CYS 122 11.545 0.816 -4.075 816 HB3 CYS 122 HB1 CYS 122 11.400 0.674 -2.333 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -32.270 -5.639 3.344 2 H2 ALA 1 HT2 ALA 1 -32.262 -4.146 2.491 3 H3 ALA 1 HT3 ALA 1 -32.671 -4.183 4.159 4 HA ALA 1 HA ALA 1 -30.518 -3.376 4.002 5 HB1 ALA 1 HB1 ALA 1 -30.125 -4.605 5.819 6 HB2 ALA 1 HB2 ALA 1 -29.379 -5.802 4.758 7 HB3 ALA 1 HB3 ALA 1 -31.082 -5.949 5.192 8 H MET 2 HN MET 2 -28.357 -3.524 3.206 9 HA MET 2 HA MET 2 -28.230 -4.868 0.602 10 HB2 MET 2 HB2 MET 2 -26.283 -2.825 1.678 11 HB3 MET 2 HB1 MET 2 -26.480 -3.344 0.014 12 HG2 MET 2 HG2 MET 2 -27.458 -1.246 0.066 13 HG3 MET 2 HG1 MET 2 -28.831 -2.348 0.178 14 HE1 MET 2 HE1 MET 2 -30.257 0.018 1.189 15 HE2 MET 2 HE2 MET 2 -28.688 0.726 0.802 16 HE3 MET 2 HE3 MET 2 -29.416 1.007 2.384 17 H GLY 3 HN GLY 3 -26.547 -6.238 0.039 18 HA2 GLY 3 HA2 GLY 3 -25.265 -7.612 2.238 19 HA3 GLY 3 HA1 GLY 3 -25.104 -8.000 0.525 20 H LYS 4 HN LYS 4 -23.773 -6.346 3.213 21 HA LYS 4 HA LYS 4 -21.784 -5.321 3.594 22 HB2 LYS 4 HB2 LYS 4 -21.087 -6.287 0.807 23 HB3 LYS 4 HB1 LYS 4 -19.950 -5.530 1.916 24 HG2 LYS 4 HG2 LYS 4 -20.378 -7.380 3.524 25 HG3 LYS 4 HG1 LYS 4 -21.361 -8.163 2.284 26 HD2 LYS 4 HD2 LYS 4 -19.443 -8.287 0.801 27 HD3 LYS 4 HD1 LYS 4 -18.455 -7.399 1.967 28 HE2 LYS 4 HE2 LYS 4 -17.917 -9.725 2.151 29 HE3 LYS 4 HE1 LYS 4 -18.820 -9.251 3.590 30 HZ1 LYS 4 HZ1 LYS 4 -20.131 -10.509 1.253 31 HZ2 LYS 4 HZ2 LYS 4 -20.737 -10.342 2.829 32 HZ3 LYS 4 HZ3 LYS 4 -19.467 -11.420 2.515 33 H CYS 5 HN CYS 5 -21.819 -4.661 0.123 34 HA CYS 5 HA CYS 5 -23.133 -2.141 0.411 35 HB2 CYS 5 HB2 CYS 5 -21.374 -0.641 -0.081 36 HB3 CYS 5 HB1 CYS 5 -20.748 -1.672 1.202 37 H SER 6 HN SER 6 -22.996 -4.741 -1.083 38 HA SER 6 HA SER 6 -23.532 -5.529 -3.130 39 HB2 SER 6 HB2 SER 6 -23.906 -2.637 -3.947 40 HB3 SER 6 HB1 SER 6 -24.600 -4.060 -4.724 41 HG SER 6 HG SER 6 -25.446 -2.690 -2.511 42 H VAL 7 HN VAL 7 -20.952 -5.663 -2.762 43 HA VAL 7 HA VAL 7 -19.520 -4.250 -4.853 44 HB VAL 7 HB VAL 7 -17.771 -6.160 -3.834 45 HG11 VAL 7 HG11 VAL 7 -17.230 -3.948 -2.340 46 HG12 VAL 7 HG12 VAL 7 -18.201 -3.260 -3.641 47 HG13 VAL 7 HG13 VAL 7 -16.737 -4.169 -4.018 48 HG21 VAL 7 HG21 VAL 7 -17.952 -5.888 -1.392 49 HG22 VAL 7 HG22 VAL 7 -19.333 -6.753 -2.069 50 HG23 VAL 7 HG23 VAL 7 -19.488 -5.054 -1.614 51 H LEU 8 HN LEU 8 -21.205 -7.192 -4.516 52 HA LEU 8 HA LEU 8 -19.678 -8.741 -6.347 53 HB2 LEU 8 HB2 LEU 8 -21.760 -10.150 -6.516 54 HB3 LEU 8 HB1 LEU 8 -21.100 -9.965 -4.905 55 HG LEU 8 HG LEU 8 -22.899 -8.017 -4.753 56 HD11 LEU 8 HD11 LEU 8 -23.658 -8.195 -7.062 57 HD12 LEU 8 HD12 LEU 8 -24.953 -8.620 -5.943 58 HD13 LEU 8 HD13 LEU 8 -24.079 -9.889 -6.800 59 HD21 LEU 8 HD21 LEU 8 -24.147 -9.414 -3.445 60 HD22 LEU 8 HD22 LEU 8 -22.663 -10.359 -3.571 61 HD23 LEU 8 HD23 LEU 8 -24.049 -10.756 -4.586 62 H LYS 9 HN LYS 9 -22.300 -6.446 -6.687 63 HA LYS 9 HA LYS 9 -22.478 -6.961 -9.529 64 HB2 LYS 9 HB2 LYS 9 -24.134 -4.999 -9.363 65 HB3 LYS 9 HB1 LYS 9 -24.595 -6.551 -8.692 66 HG2 LYS 9 HG2 LYS 9 -23.542 -5.432 -6.504 67 HG3 LYS 9 HG1 LYS 9 -24.042 -3.971 -7.358 68 HD2 LYS 9 HD2 LYS 9 -25.847 -6.319 -6.746 69 HD3 LYS 9 HD1 LYS 9 -25.760 -4.845 -5.790 70 HE2 LYS 9 HE2 LYS 9 -27.639 -4.582 -7.186 71 HE3 LYS 9 HE1 LYS 9 -26.370 -3.586 -7.895 72 HZ1 LYS 9 HZ1 LYS 9 -27.852 -5.310 -9.287 73 HZ2 LYS 9 HZ2 LYS 9 -26.532 -6.309 -8.918 74 HZ3 LYS 9 HZ3 LYS 9 -26.287 -4.842 -9.739 75 H LYS 10 HN LYS 10 -20.346 -5.491 -7.693 76 HA LYS 10 HA LYS 10 -19.912 -3.152 -9.407 77 HB2 LYS 10 HB2 LYS 10 -19.844 -2.975 -6.866 78 HB3 LYS 10 HB1 LYS 10 -18.403 -3.981 -6.911 79 HG2 LYS 10 HG2 LYS 10 -17.705 -1.720 -6.712 80 HG3 LYS 10 HG1 LYS 10 -17.327 -2.253 -8.351 81 HD2 LYS 10 HD2 LYS 10 -18.594 -0.645 -9.232 82 HD3 LYS 10 HD1 LYS 10 -19.976 -1.105 -8.239 83 HE2 LYS 10 HE2 LYS 10 -19.075 0.191 -6.372 84 HE3 LYS 10 HE1 LYS 10 -17.693 0.654 -7.368 85 HZ1 LYS 10 HZ1 LYS 10 -20.144 1.944 -7.159 86 HZ2 LYS 10 HZ2 LYS 10 -20.100 1.280 -8.725 87 HZ3 LYS 10 HZ3 LYS 10 -18.862 2.321 -8.204 88 H VAL 11 HN VAL 11 -19.663 -5.747 -10.460 89 HA VAL 11 HA VAL 11 -18.327 -7.085 -11.695 90 HB VAL 11 HB VAL 11 -16.344 -4.822 -11.529 91 HG11 VAL 11 HG11 VAL 11 -16.777 -6.899 -13.676 92 HG12 VAL 11 HG12 VAL 11 -15.442 -6.871 -12.526 93 HG13 VAL 11 HG13 VAL 11 -15.597 -5.586 -13.725 94 HG21 VAL 11 HG21 VAL 11 -17.650 -4.560 -13.933 95 HG22 VAL 11 HG22 VAL 11 -17.895 -3.557 -12.500 96 HG23 VAL 11 HG23 VAL 11 -18.945 -4.942 -12.801 97 H ALA 12 HN ALA 12 -18.351 -7.538 -8.975 98 HA ALA 12 HA ALA 12 -17.318 -8.629 -7.274 99 HB1 ALA 12 HB1 ALA 12 -16.930 -10.259 -9.074 100 HB2 ALA 12 HB2 ALA 12 -15.652 -10.282 -7.856 101 HB3 ALA 12 HB3 ALA 12 -15.378 -9.493 -9.410 102 H CYS 13 HN CYS 13 -16.715 -6.026 -7.199 103 HA CYS 13 HA CYS 13 -15.359 -4.567 -6.108 104 HB2 CYS 13 HB2 CYS 13 -13.463 -6.884 -5.703 105 HB3 CYS 13 HB1 CYS 13 -13.440 -5.347 -4.846 106 H ALA 14 HN ALA 14 -14.495 -6.036 -8.978 107 HA ALA 14 HA ALA 14 -11.892 -4.944 -9.321 108 HB1 ALA 14 HB1 ALA 14 -12.193 -6.649 -10.790 109 HB2 ALA 14 HB2 ALA 14 -12.626 -5.301 -11.843 110 HB3 ALA 14 HB3 ALA 14 -13.890 -6.258 -11.069 111 H ALA 15 HN ALA 15 -15.138 -3.733 -9.979 112 HA ALA 15 HA ALA 15 -14.126 -1.425 -11.406 113 HB1 ALA 15 HB1 ALA 15 -16.611 -0.726 -11.212 114 HB2 ALA 15 HB2 ALA 15 -16.858 -2.380 -10.644 115 HB3 ALA 15 HB3 ALA 15 -16.183 -2.090 -12.245 116 H ALA 16 HN ALA 16 -13.057 -1.622 -8.794 117 HA ALA 16 HA ALA 16 -13.586 1.012 -7.846 118 HB1 ALA 16 HB1 ALA 16 -15.545 -0.032 -6.877 119 HB2 ALA 16 HB2 ALA 16 -14.410 0.410 -5.601 120 HB3 ALA 16 HB3 ALA 16 -14.546 -1.272 -6.119 121 H ILE 17 HN ILE 17 -12.442 -2.161 -6.727 122 HA ILE 17 HA ILE 17 -10.269 -1.024 -5.252 123 HB ILE 17 HB ILE 17 -11.530 -3.638 -5.571 124 HG12 ILE 17 HG12 ILE 17 -9.883 -2.809 -3.239 125 HG13 ILE 17 HG11 ILE 17 -11.339 -1.875 -3.628 126 HG21 ILE 17 HG21 ILE 17 -9.530 -4.553 -6.351 127 HG22 ILE 17 HG22 ILE 17 -9.503 -4.844 -4.613 128 HG23 ILE 17 HG23 ILE 17 -8.545 -3.530 -5.304 129 HD11 ILE 17 HD11 ILE 17 -11.511 -4.843 -3.474 130 HD12 ILE 17 HD12 ILE 17 -12.756 -3.625 -3.191 131 HD13 ILE 17 HD13 ILE 17 -11.488 -3.886 -1.993 132 H ALA 18 HN ALA 18 -10.618 -2.779 -8.299 133 HA ALA 18 HA ALA 18 -7.843 -2.882 -8.851 134 HB1 ALA 18 HB1 ALA 18 -8.453 -3.529 -11.094 135 HB2 ALA 18 HB2 ALA 18 -10.106 -2.972 -10.837 136 HB3 ALA 18 HB3 ALA 18 -9.495 -4.363 -9.940 137 H GLY 19 HN GLY 19 -10.334 -0.496 -9.387 138 HA2 GLY 19 HA2 GLY 19 -8.787 1.101 -11.201 139 HA3 GLY 19 HA1 GLY 19 -10.284 1.580 -10.409 140 H ALA 20 HN ALA 20 -9.105 0.847 -7.754 141 HA ALA 20 HA ALA 20 -8.022 3.408 -7.154 142 HB1 ALA 20 HB1 ALA 20 -8.086 2.765 -4.894 143 HB2 ALA 20 HB2 ALA 20 -8.001 1.050 -5.296 144 HB3 ALA 20 HB3 ALA 20 -9.471 1.965 -5.639 145 H VAL 21 HN VAL 21 -6.714 0.332 -7.961 146 HA VAL 21 HA VAL 21 -4.148 0.576 -6.842 147 HB VAL 21 HB VAL 21 -5.102 -0.974 -9.260 148 HG11 VAL 21 HG11 VAL 21 -3.141 -2.289 -9.080 149 HG12 VAL 21 HG12 VAL 21 -2.672 -1.490 -7.580 150 HG13 VAL 21 HG13 VAL 21 -2.636 -0.601 -9.103 151 HG21 VAL 21 HG21 VAL 21 -6.088 -1.354 -6.869 152 HG22 VAL 21 HG22 VAL 21 -4.561 -2.195 -6.600 153 HG23 VAL 21 HG23 VAL 21 -5.646 -2.720 -7.889 154 H ALA 22 HN ALA 22 -5.453 1.301 -10.065 155 HA ALA 22 HA ALA 22 -3.039 2.184 -11.213 156 HB1 ALA 22 HB1 ALA 22 -5.898 2.802 -11.927 157 HB2 ALA 22 HB2 ALA 22 -4.872 1.542 -12.613 158 HB3 ALA 22 HB3 ALA 22 -4.507 3.242 -12.917 159 H ALA 23 HN ALA 23 -5.230 3.716 -9.038 160 HA ALA 23 HA ALA 23 -4.683 6.411 -9.686 161 HB1 ALA 23 HB1 ALA 23 -6.616 6.059 -8.416 162 HB2 ALA 23 HB2 ALA 23 -5.483 6.816 -7.294 163 HB3 ALA 23 HB3 ALA 23 -5.763 5.075 -7.225 164 H CYS 24 HN CYS 24 -3.168 4.136 -7.425 165 HA CYS 24 HA CYS 24 -1.218 6.208 -6.703 166 HB2 CYS 24 HB2 CYS 24 -2.429 4.754 -4.965 167 HB3 CYS 24 HB1 CYS 24 -1.371 3.452 -5.501 168 H GLY 25 HN GLY 25 -1.565 3.574 -8.795 169 HA2 GLY 25 HA2 GLY 25 0.134 3.209 -10.469 170 HA3 GLY 25 HA1 GLY 25 1.346 3.561 -9.244 171 H GLY 26 HN GLY 26 1.050 2.011 -7.240 172 HA2 GLY 26 HA2 GLY 26 1.049 -0.708 -8.374 173 HA3 GLY 26 HA1 GLY 26 1.955 -0.207 -6.953 174 H ILE 27 HN ILE 27 0.494 -2.450 -6.736 175 HA ILE 27 HA ILE 27 -2.037 -1.682 -5.498 176 HB ILE 27 HB ILE 27 -2.396 -3.464 -6.972 177 HG12 ILE 27 HG12 ILE 27 -3.007 -5.396 -5.538 178 HG13 ILE 27 HG11 ILE 27 -2.094 -4.678 -4.217 179 HG21 ILE 27 HG21 ILE 27 -0.404 -4.351 -7.617 180 HG22 ILE 27 HG22 ILE 27 -0.996 -5.652 -6.584 181 HG23 ILE 27 HG23 ILE 27 0.193 -4.505 -5.964 182 HD11 ILE 27 HD11 ILE 27 -4.700 -3.856 -5.388 183 HD12 ILE 27 HD12 ILE 27 -3.667 -2.642 -4.638 184 HD13 ILE 27 HD13 ILE 27 -4.219 -4.026 -3.697 185 H ASP 28 HN ASP 28 -1.795 -1.019 -3.495 186 HA ASP 28 HA ASP 28 -0.413 -2.800 -1.627 187 HB2 ASP 28 HB2 ASP 28 0.306 -0.810 -0.291 188 HB3 ASP 28 HB1 ASP 28 1.096 -0.935 -1.852 189 H LEU 29 HN LEU 29 -1.576 0.031 -0.265 190 HA LEU 29 HA LEU 29 -4.306 -0.406 0.027 191 HB2 LEU 29 HB2 LEU 29 -3.809 -2.437 1.204 192 HB3 LEU 29 HB1 LEU 29 -2.622 -1.633 2.211 193 HG LEU 29 HG LEU 29 -4.398 -0.372 3.331 194 HD11 LEU 29 HD11 LEU 29 -6.142 -0.019 1.881 195 HD12 LEU 29 HD12 LEU 29 -6.784 -1.346 2.853 196 HD13 LEU 29 HD13 LEU 29 -6.100 -1.675 1.259 197 HD21 LEU 29 HD21 LEU 29 -4.209 -3.294 3.326 198 HD22 LEU 29 HD22 LEU 29 -5.703 -2.664 4.015 199 HD23 LEU 29 HD23 LEU 29 -4.150 -2.151 4.670 200 HA PRO 30 HA PRO 30 -2.507 2.679 3.494 201 HB2 PRO 30 HB2 PRO 30 0.092 3.220 2.186 202 HB3 PRO 30 HB1 PRO 30 -0.301 3.095 3.901 203 HG2 PRO 30 HG2 PRO 30 1.029 1.161 2.601 204 HG3 PRO 30 HG1 PRO 30 -0.101 0.807 3.918 205 HD2 PRO 30 HD2 PRO 30 -0.426 0.443 0.990 206 HD3 PRO 30 HD1 PRO 30 -1.110 -0.495 2.332 207 H CYS 31 HN CYS 31 -1.660 2.800 0.093 208 HA CYS 31 HA CYS 31 -2.415 5.610 0.070 209 HB2 CYS 31 HB2 CYS 31 -0.214 5.285 -0.781 210 HB3 CYS 31 HB1 CYS 31 -0.727 3.938 -1.789 211 H VAL 32 HN VAL 32 -3.302 2.475 -1.122 212 HA VAL 32 HA VAL 32 -4.982 3.314 -3.245 213 HB VAL 32 HB VAL 32 -4.734 0.725 -1.703 214 HG11 VAL 32 HG11 VAL 32 -6.165 0.950 -4.308 215 HG12 VAL 32 HG12 VAL 32 -7.018 1.183 -2.782 216 HG13 VAL 32 HG13 VAL 32 -6.206 -0.346 -3.115 217 HG21 VAL 32 HG21 VAL 32 -3.803 -0.019 -3.942 218 HG22 VAL 32 HG22 VAL 32 -2.804 1.083 -2.992 219 HG23 VAL 32 HG23 VAL 32 -3.736 1.691 -4.362 220 H LEU 33 HN LEU 33 -5.353 3.397 0.145 221 HA LEU 33 HA LEU 33 -8.068 2.845 0.462 222 HB2 LEU 33 HB2 LEU 33 -7.918 4.354 2.491 223 HB3 LEU 33 HB1 LEU 33 -6.858 2.967 2.439 224 HG LEU 33 HG LEU 33 -4.971 4.446 1.815 225 HD11 LEU 33 HD11 LEU 33 -5.113 6.689 1.519 226 HD12 LEU 33 HD12 LEU 33 -6.491 6.859 2.607 227 HD13 LEU 33 HD13 LEU 33 -6.729 6.260 0.965 228 HD21 LEU 33 HD21 LEU 33 -6.295 5.512 4.280 229 HD22 LEU 33 HD22 LEU 33 -4.582 5.225 3.981 230 HD23 LEU 33 HD23 LEU 33 -5.678 3.860 4.194 231 H ALA 34 HN ALA 34 -6.642 5.471 -1.172 232 HA ALA 34 HA ALA 34 -8.350 7.597 -0.686 233 HB1 ALA 34 HB1 ALA 34 -6.235 7.344 -2.235 234 HB2 ALA 34 HB2 ALA 34 -7.437 8.602 -2.527 235 HB3 ALA 34 HB3 ALA 34 -7.460 7.122 -3.484 236 H ALA 35 HN ALA 35 -8.682 5.136 -3.240 237 HA ALA 35 HA ALA 35 -11.500 5.932 -3.550 238 HB1 ALA 35 HB1 ALA 35 -10.168 4.024 -5.418 239 HB2 ALA 35 HB2 ALA 35 -9.763 5.738 -5.520 240 HB3 ALA 35 HB3 ALA 35 -11.433 5.209 -5.734 241 H LEU 36 HN LEU 36 -10.397 4.330 -1.364 242 HA LEU 36 HA LEU 36 -11.909 1.843 -1.814 243 HB2 LEU 36 HB2 LEU 36 -9.452 1.510 -1.631 244 HB3 LEU 36 HB1 LEU 36 -9.500 2.227 -0.033 245 HG LEU 36 HG LEU 36 -10.965 0.378 0.723 246 HD11 LEU 36 HD11 LEU 36 -11.433 -0.035 -1.935 247 HD12 LEU 36 HD12 LEU 36 -11.813 -1.175 -0.644 248 HD13 LEU 36 HD13 LEU 36 -10.308 -1.334 -1.553 249 HD21 LEU 36 HD21 LEU 36 -8.210 0.353 0.208 250 HD22 LEU 36 HD22 LEU 36 -8.805 -1.235 -0.273 251 HD23 LEU 36 HD23 LEU 36 -9.096 -0.646 1.363 252 H LYS 37 HN LYS 37 -10.765 4.115 0.651 253 HA LYS 37 HA LYS 37 -12.589 3.234 2.664 254 HB2 LYS 37 HB2 LYS 37 -10.367 4.332 3.076 255 HB3 LYS 37 HB1 LYS 37 -11.067 5.839 2.503 256 HG2 LYS 37 HG2 LYS 37 -12.733 5.704 4.338 257 HG3 LYS 37 HG1 LYS 37 -11.881 4.279 4.947 258 HD2 LYS 37 HD2 LYS 37 -9.819 5.643 5.129 259 HD3 LYS 37 HD1 LYS 37 -10.741 7.056 4.615 260 HE2 LYS 37 HE2 LYS 37 -12.158 6.887 6.573 261 HE3 LYS 37 HE1 LYS 37 -11.334 5.406 7.069 262 HZ1 LYS 37 HZ1 LYS 37 -10.607 8.087 7.586 263 HZ2 LYS 37 HZ2 LYS 37 -9.369 7.338 6.698 264 HZ3 LYS 37 HZ3 LYS 37 -9.889 6.658 8.160 265 H ALA 38 HN ALA 38 -14.692 3.391 1.974 266 HA ALA 38 HA ALA 38 -15.775 6.097 1.809 267 HB1 ALA 38 HB1 ALA 38 -16.242 6.021 -0.362 268 HB2 ALA 38 HB2 ALA 38 -17.191 4.556 -0.113 269 HB3 ALA 38 HB3 ALA 38 -15.469 4.440 -0.479 270 H ALA 39 HN ALA 39 -17.246 2.976 1.020 271 HA ALA 39 HA ALA 39 -19.001 3.307 3.364 272 HB1 ALA 39 HB1 ALA 39 -19.553 2.072 0.671 273 HB2 ALA 39 HB2 ALA 39 -20.321 3.487 1.391 274 HB3 ALA 39 HB3 ALA 39 -20.617 1.881 2.062 275 H GLU 40 HN GLU 40 -19.559 1.443 4.557 276 HA GLU 40 HA GLU 40 -17.448 -0.414 4.889 277 HB2 GLU 40 HB2 GLU 40 -20.275 -0.610 5.947 278 HB3 GLU 40 HB1 GLU 40 -18.880 -1.495 6.547 279 HG2 GLU 40 HG2 GLU 40 -19.057 0.172 8.102 280 HG3 GLU 40 HG1 GLU 40 -17.910 0.891 6.970 281 H GLY 41 HN GLY 41 -17.290 -2.570 4.348 282 HA2 GLY 41 HA2 GLY 41 -18.003 -4.610 3.444 283 HA3 GLY 41 HA1 GLY 41 -19.471 -3.823 2.893 284 H CYS 42 HN CYS 42 -17.295 -1.718 1.838 285 HA CYS 42 HA CYS 42 -17.283 -2.919 -0.803 286 HB2 CYS 42 HB2 CYS 42 -16.427 -0.194 0.177 287 HB3 CYS 42 HB1 CYS 42 -16.290 -0.711 -1.501 288 H ALA 43 HN ALA 43 -15.109 -2.459 1.814 289 HA ALA 43 HA ALA 43 -12.873 -3.291 0.093 290 HB1 ALA 43 HB1 ALA 43 -11.807 -2.512 2.545 291 HB2 ALA 43 HB2 ALA 43 -13.060 -1.322 2.195 292 HB3 ALA 43 HB3 ALA 43 -11.764 -1.608 1.031 293 H SER 44 HN SER 44 -15.016 -4.941 1.407 294 HA SER 44 HA SER 44 -13.679 -6.398 3.496 295 HB2 SER 44 HB2 SER 44 -15.658 -7.939 3.274 296 HB3 SER 44 HB1 SER 44 -16.080 -6.256 3.599 297 HG SER 44 HG SER 44 -16.635 -7.807 1.422 298 H CYS 45 HN CYS 45 -14.610 -7.077 0.129 299 HA CYS 45 HA CYS 45 -13.569 -9.646 -0.131 300 HB2 CYS 45 HB2 CYS 45 -13.198 -8.884 -2.596 301 HB3 CYS 45 HB1 CYS 45 -14.841 -8.922 -1.957 302 H PHE 46 HN PHE 46 -12.022 -6.553 -0.326 303 HA PHE 46 HA PHE 46 -9.471 -7.566 -1.184 304 HB2 PHE 46 HB2 PHE 46 -10.400 -5.398 -1.883 305 HB3 PHE 46 HB1 PHE 46 -10.381 -4.856 -0.217 306 HD1 PHE 46 HD2 PHE 46 -7.415 -6.618 -0.486 307 HD2 PHE 46 HD1 PHE 46 -9.296 -3.067 -1.866 308 HE1 PHE 46 HE2 PHE 46 -5.211 -5.587 -0.846 309 HE2 PHE 46 HE1 PHE 46 -7.126 -2.036 -2.240 310 HZ PHE 46 HZ PHE 46 -5.062 -3.289 -1.712 311 H CYS 47 HN CYS 47 -10.350 -5.545 1.604 312 HA CYS 47 HA CYS 47 -8.043 -6.367 3.078 313 HB2 CYS 47 HB2 CYS 47 -10.433 -4.794 4.022 314 HB3 CYS 47 HB1 CYS 47 -8.841 -4.848 4.773 315 H GLU 48 HN GLU 48 -9.902 -8.534 2.474 316 HA GLU 48 HA GLU 48 -11.408 -9.235 4.759 317 HB2 GLU 48 HB2 GLU 48 -11.590 -10.211 2.424 318 HB3 GLU 48 HB1 GLU 48 -10.127 -11.115 2.762 319 HG2 GLU 48 HG2 GLU 48 -12.132 -12.473 3.071 320 HG3 GLU 48 HG1 GLU 48 -11.203 -12.301 4.558 321 H ASP 49 HN ASP 49 -8.298 -10.426 3.558 322 HA ASP 49 HA ASP 49 -7.619 -11.506 6.177 323 HB2 ASP 49 HB2 ASP 49 -7.218 -12.716 3.953 324 HB3 ASP 49 HB1 ASP 49 -5.928 -11.550 3.672 325 H HIS 50 HN HIS 50 -7.341 -8.674 4.446 326 HA HIS 50 HA HIS 50 -4.905 -7.785 5.848 327 HB2 HIS 50 HB2 HIS 50 -6.321 -6.267 3.656 328 HB3 HIS 50 HB1 HIS 50 -4.658 -6.096 4.200 329 HD2 HIS 50 HD2 HIS 50 -6.577 -7.729 1.403 330 HE1 HIS 50 HE1 HIS 50 -2.874 -9.803 1.627 331 HE2 HIS 50 HE2 HIS 50 -5.029 -9.521 0.348 332 H CYS 51 HN CYS 51 -6.735 -7.868 7.688 333 HA CYS 51 HA CYS 51 -8.055 -5.235 7.711 334 HB2 CYS 51 HB2 CYS 51 -9.427 -7.424 7.908 335 HB3 CYS 51 HB1 CYS 51 -8.802 -7.491 9.554 336 H HIS 52 HN HIS 52 -5.455 -5.080 8.303 337 HA HIS 52 HA HIS 52 -5.497 -4.487 11.146 338 HB2 HIS 52 HB2 HIS 52 -3.139 -5.381 11.336 339 HB3 HIS 52 HB1 HIS 52 -4.405 -6.590 11.176 340 HD2 HIS 52 HD2 HIS 52 -1.074 -5.766 9.651 341 HE1 HIS 52 HE1 HIS 52 -3.071 -8.153 6.769 342 HE2 HIS 52 HE2 HIS 52 -0.940 -6.935 7.354 343 H GLY 53 HN GLY 53 -4.815 -3.489 8.033 344 HA2 GLY 53 HA2 GLY 53 -2.824 -1.518 8.934 345 HA3 GLY 53 HA1 GLY 53 -3.134 -1.950 7.261 346 H VAL 54 HN VAL 54 -3.382 0.227 6.670 347 HA VAL 54 HA VAL 54 -4.989 2.181 7.830 348 HB VAL 54 HB VAL 54 -5.094 3.222 5.576 349 HG11 VAL 54 HG11 VAL 54 -3.062 3.386 7.081 350 HG12 VAL 54 HG12 VAL 54 -2.819 3.746 5.366 351 HG13 VAL 54 HG13 VAL 54 -2.314 2.185 6.026 352 HG21 VAL 54 HG21 VAL 54 -3.363 1.598 4.100 353 HG22 VAL 54 HG22 VAL 54 -5.071 1.915 3.793 354 HG23 VAL 54 HG23 VAL 54 -4.591 0.523 4.764 355 H CYS 55 HN CYS 55 -6.016 -0.649 6.170 356 HA CYS 55 HA CYS 55 -8.464 0.387 5.169 357 HB2 CYS 55 HB2 CYS 55 -7.173 -1.853 4.628 358 HB3 CYS 55 HB1 CYS 55 -8.218 -2.492 5.892 359 H LYS 56 HN LYS 56 -7.417 -0.702 8.286 360 HA LYS 56 HA LYS 56 -10.191 -0.847 9.199 361 HB2 LYS 56 HB2 LYS 56 -9.458 -1.849 11.197 362 HB3 LYS 56 HB1 LYS 56 -8.521 -2.597 9.914 363 HG2 LYS 56 HG2 LYS 56 -6.587 -1.260 10.504 364 HG3 LYS 56 HG1 LYS 56 -7.530 -0.407 11.735 365 HD2 LYS 56 HD2 LYS 56 -6.896 -3.365 11.689 366 HD3 LYS 56 HD1 LYS 56 -6.197 -2.157 12.776 367 HE2 LYS 56 HE2 LYS 56 -8.141 -1.935 14.003 368 HE3 LYS 56 HE1 LYS 56 -9.169 -2.475 12.675 369 HZ1 LYS 56 HZ1 LYS 56 -7.497 -4.126 14.487 370 HZ2 LYS 56 HZ2 LYS 56 -8.093 -4.729 13.021 371 HZ3 LYS 56 HZ3 LYS 56 -9.170 -4.221 14.227 372 H ASP 57 HN ASP 57 -8.583 1.594 8.397 373 HA ASP 57 HA ASP 57 -8.588 3.205 10.820 374 HB2 ASP 57 HB2 ASP 57 -6.834 3.568 9.140 375 HB3 ASP 57 HB1 ASP 57 -8.039 3.913 7.914 376 H LEU 58 HN LEU 58 -10.879 1.865 9.910 377 HA LEU 58 HA LEU 58 -12.927 3.761 10.289 378 HB2 LEU 58 HB2 LEU 58 -12.374 4.048 7.794 379 HB3 LEU 58 HB1 LEU 58 -12.942 2.406 7.577 380 HG LEU 58 HG LEU 58 -14.711 4.555 8.748 381 HD11 LEU 58 HD11 LEU 58 -13.703 4.911 6.321 382 HD12 LEU 58 HD12 LEU 58 -15.385 5.283 6.698 383 HD13 LEU 58 HD13 LEU 58 -14.973 3.764 5.902 384 HD21 LEU 58 HD21 LEU 58 -15.292 1.933 7.370 385 HD22 LEU 58 HD22 LEU 58 -16.502 3.083 7.940 386 HD23 LEU 58 HD23 LEU 58 -15.451 2.265 9.096 387 H HIS 59 HN HIS 59 -11.760 0.697 9.169 388 HA HIS 59 HA HIS 59 -12.128 -1.442 9.735 389 HB2 HIS 59 HB2 HIS 59 -12.374 -0.379 12.067 390 HB3 HIS 59 HB1 HIS 59 -14.105 -0.611 11.837 391 HD2 HIS 59 HD2 HIS 59 -14.920 -2.982 12.829 392 HE1 HIS 59 HE1 HIS 59 -11.281 -5.119 12.366 393 HE2 HIS 59 HE2 HIS 59 -13.719 -5.270 13.005 394 H LEU 60 HN LEU 60 -13.080 -1.990 7.820 395 HA LEU 60 HA LEU 60 -15.957 -2.340 7.922 396 HB2 LEU 60 HB2 LEU 60 -15.810 -2.048 5.367 397 HB3 LEU 60 HB1 LEU 60 -15.919 -0.639 6.385 398 HG LEU 60 HG LEU 60 -14.339 -0.506 4.410 399 HD11 LEU 60 HD11 LEU 60 -13.913 1.225 5.784 400 HD12 LEU 60 HD12 LEU 60 -12.397 0.348 6.002 401 HD13 LEU 60 HD13 LEU 60 -13.686 0.195 7.197 402 HD21 LEU 60 HD21 LEU 60 -11.997 -1.509 5.430 403 HD22 LEU 60 HD22 LEU 60 -12.943 -2.211 4.117 404 HD23 LEU 60 HD23 LEU 60 -13.165 -2.786 5.771 405 H CYS 61 HN CYS 61 -13.407 -4.043 8.267 406 HA CYS 61 HA CYS 61 -14.184 -6.150 6.361 407 HB2 CYS 61 HB2 CYS 61 -11.745 -6.980 7.055 408 HB3 CYS 61 HB1 CYS 61 -12.003 -5.879 5.709 409 H1 ALA 62 HT1 ALA 62 33.252 0.034 2.163 410 H2 ALA 62 HT2 ALA 62 33.357 -0.201 0.462 411 H3 ALA 62 HT3 ALA 62 32.667 -1.419 1.462 412 HA ALA 62 HA ALA 62 31.523 1.249 1.506 413 HB1 ALA 62 HB1 ALA 62 30.307 -0.533 -0.462 414 HB2 ALA 62 HB2 ALA 62 31.915 0.031 -0.919 415 HB3 ALA 62 HB3 ALA 62 30.641 1.196 -0.554 416 H MET 63 HN MET 63 29.646 1.202 2.620 417 HA MET 63 HA MET 63 28.960 -1.258 3.969 418 HB2 MET 63 HB2 MET 63 27.909 1.561 4.143 419 HB3 MET 63 HB1 MET 63 27.141 0.232 4.996 420 HG2 MET 63 HG2 MET 63 28.583 1.352 6.513 421 HG3 MET 63 HG1 MET 63 29.299 -0.212 6.137 422 HE1 MET 63 HE1 MET 63 32.470 1.379 6.715 423 HE2 MET 63 HE2 MET 63 30.963 0.967 7.531 424 HE3 MET 63 HE3 MET 63 31.370 2.657 7.244 425 H GLY 64 HN GLY 64 27.671 -2.728 3.070 426 HA2 GLY 64 HA2 GLY 64 25.923 -2.051 0.876 427 HA3 GLY 64 HA1 GLY 64 26.132 -3.644 1.593 428 H LYS 65 HN LYS 65 24.608 -0.516 2.007 429 HA LYS 65 HA LYS 65 22.892 0.254 3.217 430 HB2 LYS 65 HB2 LYS 65 20.784 -1.305 3.069 431 HB3 LYS 65 HB1 LYS 65 21.389 -0.430 1.676 432 HG2 LYS 65 HG2 LYS 65 22.677 -2.643 1.185 433 HG3 LYS 65 HG1 LYS 65 21.485 -3.355 2.275 434 HD2 LYS 65 HD2 LYS 65 20.703 -3.548 0.001 435 HD3 LYS 65 HD1 LYS 65 19.686 -2.389 0.860 436 HE2 LYS 65 HE2 LYS 65 20.981 -0.543 -0.124 437 HE3 LYS 65 HE1 LYS 65 21.974 -1.714 -0.984 438 HZ1 LYS 65 HZ1 LYS 65 20.517 -1.657 -2.624 439 HZ2 LYS 65 HZ2 LYS 65 19.504 -0.607 -1.754 440 HZ3 LYS 65 HZ3 LYS 65 19.322 -2.286 -1.596 441 H CYS 66 HN CYS 66 22.241 -3.158 4.128 442 HA CYS 66 HA CYS 66 23.119 -2.564 6.825 443 HB2 CYS 66 HB2 CYS 66 20.961 -3.018 7.878 444 HB3 CYS 66 HB1 CYS 66 20.867 -1.612 6.822 445 H SER 67 HN SER 67 23.376 -4.644 4.519 446 HA SER 67 HA SER 67 23.701 -6.896 4.302 447 HB2 SER 67 HB2 SER 67 23.951 -6.855 7.320 448 HB3 SER 67 HB1 SER 67 24.589 -8.080 6.225 449 HG SER 67 HG SER 67 25.523 -5.749 5.401 450 H VAL 68 HN VAL 68 21.361 -6.802 3.734 451 HA VAL 68 HA VAL 68 19.342 -7.535 5.539 452 HB VAL 68 HB VAL 68 19.378 -7.897 2.542 453 HG11 VAL 68 HG11 VAL 68 17.160 -8.293 2.592 454 HG12 VAL 68 HG12 VAL 68 16.896 -7.261 3.997 455 HG13 VAL 68 HG13 VAL 68 17.533 -8.893 4.207 456 HG21 VAL 68 HG21 VAL 68 17.962 -5.590 3.609 457 HG22 VAL 68 HG22 VAL 68 19.116 -5.702 2.279 458 HG23 VAL 68 HG23 VAL 68 19.691 -5.547 3.941 459 H LEU 69 HN LEU 69 21.391 -9.557 3.445 460 HA LEU 69 HA LEU 69 19.878 -11.917 3.776 461 HB2 LEU 69 HB2 LEU 69 21.744 -13.124 2.875 462 HB3 LEU 69 HB1 LEU 69 21.512 -11.641 1.971 463 HG LEU 69 HG LEU 69 23.421 -11.179 4.065 464 HD11 LEU 69 HD11 LEU 69 23.599 -13.740 3.651 465 HD12 LEU 69 HD12 LEU 69 25.059 -12.754 3.706 466 HD13 LEU 69 HD13 LEU 69 24.393 -13.252 2.151 467 HD21 LEU 69 HD21 LEU 69 23.132 -9.903 1.971 468 HD22 LEU 69 HD22 LEU 69 23.749 -11.291 1.079 469 HD23 LEU 69 HD23 LEU 69 24.790 -10.457 2.229 470 H LYS 70 HN LYS 70 22.716 -10.732 5.609 471 HA LYS 70 HA LYS 70 22.679 -13.072 7.247 472 HB2 LYS 70 HB2 LYS 70 24.517 -12.164 8.388 473 HB3 LYS 70 HB1 LYS 70 24.744 -11.756 6.704 474 HG2 LYS 70 HG2 LYS 70 24.042 -9.478 7.147 475 HG3 LYS 70 HG1 LYS 70 23.735 -9.886 8.839 476 HD2 LYS 70 HD2 LYS 70 26.143 -10.564 9.020 477 HD3 LYS 70 HD1 LYS 70 26.386 -9.912 7.397 478 HE2 LYS 70 HE2 LYS 70 27.053 -8.306 9.111 479 HE3 LYS 70 HE1 LYS 70 25.690 -7.708 8.164 480 HZ1 LYS 70 HZ1 LYS 70 24.714 -9.124 10.402 481 HZ2 LYS 70 HZ2 LYS 70 24.525 -7.478 10.017 482 HZ3 LYS 70 HZ3 LYS 70 25.866 -7.989 10.928 483 H LYS 71 HN LYS 71 20.635 -10.558 7.070 484 HA LYS 71 HA LYS 71 20.140 -10.385 9.950 485 HB2 LYS 71 HB2 LYS 71 20.180 -8.341 8.338 486 HB3 LYS 71 HB1 LYS 71 18.597 -8.910 7.824 487 HG2 LYS 71 HG2 LYS 71 17.602 -8.073 9.623 488 HG3 LYS 71 HG1 LYS 71 18.807 -8.774 10.708 489 HD2 LYS 71 HD2 LYS 71 20.336 -6.884 10.072 490 HD3 LYS 71 HD1 LYS 71 18.974 -6.153 9.218 491 HE2 LYS 71 HE2 LYS 71 17.690 -6.088 11.296 492 HE3 LYS 71 HE1 LYS 71 19.026 -6.857 12.152 493 HZ1 LYS 71 HZ1 LYS 71 19.776 -4.447 10.737 494 HZ2 LYS 71 HZ2 LYS 71 20.120 -4.936 12.324 495 HZ3 LYS 71 HZ3 LYS 71 18.634 -4.201 11.970 496 H VAL 72 HN VAL 72 19.792 -12.821 8.765 497 HA VAL 72 HA VAL 72 18.417 -14.595 8.580 498 HB VAL 72 HB VAL 72 16.356 -12.889 9.956 499 HG11 VAL 72 HG11 VAL 72 16.827 -15.864 10.138 500 HG12 VAL 72 HG12 VAL 72 15.612 -15.108 9.105 501 HG13 VAL 72 HG13 VAL 72 15.498 -14.954 10.859 502 HG21 VAL 72 HG21 VAL 72 18.590 -14.463 11.213 503 HG22 VAL 72 HG22 VAL 72 17.275 -13.675 12.087 504 HG23 VAL 72 HG23 VAL 72 18.441 -12.706 11.187 505 H ALA 73 HN ALA 73 18.587 -12.876 6.376 506 HA ALA 73 HA ALA 73 17.598 -12.293 4.403 507 HB1 ALA 73 HB1 ALA 73 15.480 -14.349 4.747 508 HB2 ALA 73 HB2 ALA 73 17.156 -14.893 4.717 509 HB3 ALA 73 HB3 ALA 73 16.499 -13.996 3.349 510 H CYS 74 HN CYS 74 16.926 -10.620 6.264 511 HA CYS 74 HA CYS 74 15.486 -9.146 7.126 512 HB2 CYS 74 HB2 CYS 74 13.683 -8.331 5.480 513 HB3 CYS 74 HB1 CYS 74 15.379 -8.073 5.110 514 H ALA 75 HN ALA 75 14.845 -11.724 8.000 515 HA ALA 75 HA ALA 75 11.923 -11.692 8.064 516 HB1 ALA 75 HB1 ALA 75 12.265 -13.886 7.760 517 HB2 ALA 75 HB2 ALA 75 12.618 -13.905 9.488 518 HB3 ALA 75 HB3 ALA 75 13.937 -13.799 8.319 519 H ALA 76 HN ALA 76 14.219 -10.170 9.623 520 HA ALA 76 HA ALA 76 13.424 -10.737 12.359 521 HB1 ALA 76 HB1 ALA 76 15.798 -9.953 11.256 522 HB2 ALA 76 HB2 ALA 76 15.385 -9.839 12.968 523 HB3 ALA 76 HB3 ALA 76 15.182 -8.439 11.916 524 H ALA 77 HN ALA 77 13.730 -7.719 10.474 525 HA ALA 77 HA ALA 77 11.753 -6.455 12.179 526 HB1 ALA 77 HB1 ALA 77 13.149 -5.239 9.807 527 HB2 ALA 77 HB2 ALA 77 13.852 -5.306 11.424 528 HB3 ALA 77 HB3 ALA 77 12.360 -4.407 11.146 529 H ILE 78 HN ILE 78 11.874 -7.875 9.017 530 HA ILE 78 HA ILE 78 9.417 -6.578 8.196 531 HB ILE 78 HB ILE 78 11.412 -8.353 6.849 532 HG12 ILE 78 HG12 ILE 78 10.110 -5.820 5.871 533 HG13 ILE 78 HG11 ILE 78 11.467 -5.793 7.010 534 HG21 ILE 78 HG21 ILE 78 8.674 -7.752 5.739 535 HG22 ILE 78 HG22 ILE 78 9.291 -9.344 6.189 536 HG23 ILE 78 HG23 ILE 78 10.017 -8.463 4.842 537 HD11 ILE 78 HD11 ILE 78 12.029 -7.498 4.754 538 HD12 ILE 78 HD12 ILE 78 12.928 -6.114 5.379 539 HD13 ILE 78 HD13 ILE 78 11.600 -5.864 4.246 540 H ALA 79 HN ALA 79 10.515 -9.953 8.645 541 HA ALA 79 HA ALA 79 7.808 -10.885 8.575 542 HB1 ALA 79 HB1 ALA 79 9.704 -12.240 7.723 543 HB2 ALA 79 HB2 ALA 79 8.691 -13.087 8.893 544 HB3 ALA 79 HB3 ALA 79 10.254 -12.438 9.388 545 H GLY 80 HN GLY 80 9.962 -9.753 10.997 546 HA2 GLY 80 HA2 GLY 80 8.718 -11.110 13.205 547 HA3 GLY 80 HA1 GLY 80 9.873 -9.785 13.307 548 H ALA 81 HN ALA 81 8.367 -8.012 11.596 549 HA ALA 81 HA ALA 81 6.677 -6.871 13.573 550 HB1 ALA 81 HB1 ALA 81 6.378 -5.871 10.830 551 HB2 ALA 81 HB2 ALA 81 8.025 -5.849 11.463 552 HB3 ALA 81 HB3 ALA 81 6.737 -5.006 12.325 553 H VAL 82 HN VAL 82 6.214 -9.168 11.108 554 HA VAL 82 HA VAL 82 3.516 -8.763 10.457 555 HB VAL 82 HB VAL 82 5.236 -11.255 10.442 556 HG11 VAL 82 HG11 VAL 82 2.539 -10.804 9.196 557 HG12 VAL 82 HG12 VAL 82 2.899 -11.879 10.543 558 HG13 VAL 82 HG13 VAL 82 3.563 -12.218 8.946 559 HG21 VAL 82 HG21 VAL 82 4.375 -9.467 8.171 560 HG22 VAL 82 HG22 VAL 82 5.474 -10.844 8.081 561 HG23 VAL 82 HG23 VAL 82 5.947 -9.392 8.966 562 H ALA 83 HN ALA 83 5.149 -10.636 12.976 563 HA ALA 83 HA ALA 83 2.755 -11.757 14.048 564 HB1 ALA 83 HB1 ALA 83 5.619 -11.726 14.803 565 HB2 ALA 83 HB2 ALA 83 4.499 -13.079 14.658 566 HB3 ALA 83 HB3 ALA 83 4.447 -12.043 16.084 567 H ALA 84 HN ALA 84 4.407 -8.765 14.404 568 HA ALA 84 HA ALA 84 3.279 -8.084 16.952 569 HB1 ALA 84 HB1 ALA 84 4.381 -5.994 15.149 570 HB2 ALA 84 HB2 ALA 84 5.478 -7.227 15.774 571 HB3 ALA 84 HB3 ALA 84 4.573 -6.205 16.890 572 H CYS 85 HN CYS 85 2.584 -7.310 13.562 573 HA CYS 85 HA CYS 85 0.373 -5.599 14.375 574 HB2 CYS 85 HB2 CYS 85 1.871 -5.017 12.437 575 HB3 CYS 85 HB1 CYS 85 1.167 -6.375 11.563 576 H GLY 86 HN GLY 86 0.913 -8.852 13.293 577 HA2 GLY 86 HA2 GLY 86 -0.691 -10.570 13.632 578 HA3 GLY 86 HA1 GLY 86 -1.963 -9.357 13.576 579 H GLY 87 HN GLY 87 0.640 -9.644 11.247 580 HA2 GLY 87 HA2 GLY 87 -0.099 -11.229 9.275 581 HA3 GLY 87 HA1 GLY 87 -1.335 -9.984 9.119 582 H ILE 88 HN ILE 88 0.449 -10.505 7.041 583 HA ILE 88 HA ILE 88 2.294 -8.225 7.208 584 HB ILE 88 HB ILE 88 3.389 -10.371 6.724 585 HG12 ILE 88 HG12 ILE 88 4.052 -8.082 5.624 586 HG13 ILE 88 HG11 ILE 88 4.848 -9.570 5.125 587 HG21 ILE 88 HG21 ILE 88 3.030 -11.356 4.418 588 HG22 ILE 88 HG22 ILE 88 1.531 -10.428 4.373 589 HG23 ILE 88 HG23 ILE 88 1.769 -11.657 5.617 590 HD11 ILE 88 HD11 ILE 88 2.497 -9.088 3.530 591 HD12 ILE 88 HD12 ILE 88 4.174 -9.299 3.026 592 HD13 ILE 88 HD13 ILE 88 3.588 -7.703 3.490 593 H ASP 89 HN ASP 89 1.923 -6.470 6.049 594 HA ASP 89 HA ASP 89 0.366 -6.609 3.602 595 HB2 ASP 89 HB2 ASP 89 -1.066 -4.667 4.300 596 HB3 ASP 89 HB1 ASP 89 -1.408 -6.167 5.143 597 H LEU 90 HN LEU 90 1.758 -4.282 5.864 598 HA LEU 90 HA LEU 90 3.954 -3.278 5.192 599 HB2 LEU 90 HB2 LEU 90 3.691 -3.460 2.785 600 HB3 LEU 90 HB1 LEU 90 2.299 -2.400 2.829 601 HG LEU 90 HG LEU 90 3.739 -0.525 3.496 602 HD11 LEU 90 HD11 LEU 90 5.746 -2.639 3.777 603 HD12 LEU 90 HD12 LEU 90 5.643 -1.055 4.548 604 HD13 LEU 90 HD13 LEU 90 6.306 -1.202 2.917 605 HD21 LEU 90 HD21 LEU 90 3.831 -0.140 1.325 606 HD22 LEU 90 HD22 LEU 90 3.697 -1.869 0.996 607 HD23 LEU 90 HD23 LEU 90 5.284 -1.134 1.219 608 HA PRO 91 HA PRO 91 0.984 0.783 5.519 609 HB2 PRO 91 HB2 PRO 91 -1.314 -0.350 6.811 610 HB3 PRO 91 HB1 PRO 91 -1.239 0.583 5.317 611 HG2 PRO 91 HG2 PRO 91 -1.417 -2.322 5.706 612 HG3 PRO 91 HG1 PRO 91 -1.805 -1.352 4.275 613 HD2 PRO 91 HD2 PRO 91 0.349 -2.990 4.418 614 HD3 PRO 91 HD1 PRO 91 0.329 -1.509 3.440 615 H CYS 92 HN CYS 92 0.818 -1.984 7.777 616 HA CYS 92 HA CYS 92 1.222 -0.054 9.931 617 HB2 CYS 92 HB2 CYS 92 0.463 -1.788 11.464 618 HB3 CYS 92 HB1 CYS 92 -0.711 -1.567 10.173 619 H VAL 93 HN VAL 93 2.622 -2.825 8.383 620 HA VAL 93 HA VAL 93 4.557 -3.540 10.256 621 HB VAL 93 HB VAL 93 4.883 -3.788 7.274 622 HG11 VAL 93 HG11 VAL 93 6.587 -4.552 9.105 623 HG12 VAL 93 HG12 VAL 93 6.253 -5.554 7.693 624 HG13 VAL 93 HG13 VAL 93 5.487 -5.922 9.238 625 HG21 VAL 93 HG21 VAL 93 3.589 -6.063 8.470 626 HG22 VAL 93 HG22 VAL 93 3.103 -5.101 7.075 627 HG23 VAL 93 HG23 VAL 93 2.621 -4.606 8.698 628 H LEU 94 HN LEU 94 4.349 -0.658 8.535 629 HA LEU 94 HA LEU 94 7.014 -0.150 7.819 630 HB2 LEU 94 HB2 LEU 94 6.408 2.180 7.716 631 HB3 LEU 94 HB1 LEU 94 5.110 1.213 7.050 632 HG LEU 94 HG LEU 94 4.081 1.469 9.466 633 HD11 LEU 94 HD11 LEU 94 4.635 3.931 10.141 634 HD12 LEU 94 HD12 LEU 94 6.172 3.590 9.349 635 HD13 LEU 94 HD13 LEU 94 5.646 2.603 10.714 636 HD21 LEU 94 HD21 LEU 94 2.779 2.320 7.803 637 HD22 LEU 94 HD22 LEU 94 4.067 3.341 7.157 638 HD23 LEU 94 HD23 LEU 94 3.228 3.807 8.636 639 H ALA 95 HN ALA 95 5.464 -0.223 10.896 640 HA ALA 95 HA ALA 95 6.928 1.537 12.438 641 HB1 ALA 95 HB1 ALA 95 6.230 0.314 14.330 642 HB2 ALA 95 HB2 ALA 95 6.091 -1.182 13.407 643 HB3 ALA 95 HB3 ALA 95 4.947 0.133 13.132 644 H ALA 96 HN ALA 96 7.642 -1.950 12.129 645 HA ALA 96 HA ALA 96 10.235 -1.612 13.330 646 HB1 ALA 96 HB1 ALA 96 8.682 -3.686 13.407 647 HB2 ALA 96 HB2 ALA 96 10.427 -3.919 13.283 648 HB3 ALA 96 HB3 ALA 96 9.412 -4.077 11.849 649 H LEU 97 HN LEU 97 8.982 -1.314 10.198 650 HA LEU 97 HA LEU 97 11.304 -2.096 8.728 651 HB2 LEU 97 HB2 LEU 97 8.899 -1.994 7.882 652 HB3 LEU 97 HB1 LEU 97 9.122 -0.256 7.768 653 HG LEU 97 HG LEU 97 10.953 -0.587 6.162 654 HD11 LEU 97 HD11 LEU 97 10.859 -3.078 5.200 655 HD12 LEU 97 HD12 LEU 97 10.507 -3.421 6.894 656 HD13 LEU 97 HD13 LEU 97 11.995 -2.582 6.456 657 HD21 LEU 97 HD21 LEU 97 8.782 -0.235 5.253 658 HD22 LEU 97 HD22 LEU 97 8.330 -1.920 5.512 659 HD23 LEU 97 HD23 LEU 97 9.552 -1.509 4.308 660 H LYS 98 HN LYS 98 9.988 0.995 9.875 661 HA LYS 98 HA LYS 98 11.944 2.623 8.611 662 HB2 LYS 98 HB2 LYS 98 10.193 3.151 11.017 663 HB3 LYS 98 HB1 LYS 98 11.229 4.361 10.278 664 HG2 LYS 98 HG2 LYS 98 9.957 3.964 8.132 665 HG3 LYS 98 HG1 LYS 98 8.818 3.013 9.091 666 HD2 LYS 98 HD2 LYS 98 7.960 5.242 8.891 667 HD3 LYS 98 HD1 LYS 98 8.491 5.002 10.555 668 HE2 LYS 98 HE2 LYS 98 10.653 6.122 9.937 669 HE3 LYS 98 HE1 LYS 98 9.938 6.490 8.366 670 HZ1 LYS 98 HZ1 LYS 98 8.804 8.185 9.219 671 HZ2 LYS 98 HZ2 LYS 98 9.796 8.050 10.592 672 HZ3 LYS 98 HZ3 LYS 98 8.272 7.295 10.565 673 H ALA 99 HN ALA 99 12.025 0.642 11.404 674 HA ALA 99 HA ALA 99 14.153 2.050 12.729 675 HB1 ALA 99 HB1 ALA 99 12.968 -0.681 13.171 676 HB2 ALA 99 HB2 ALA 99 12.654 0.792 14.092 677 HB3 ALA 99 HB3 ALA 99 14.237 0.018 14.172 678 H ALA 100 HN ALA 100 14.020 0.004 10.057 679 HA ALA 100 HA ALA 100 16.803 -0.869 10.450 680 HB1 ALA 100 HB1 ALA 100 14.707 -1.944 8.569 681 HB2 ALA 100 HB2 ALA 100 15.215 -2.680 10.090 682 HB3 ALA 100 HB3 ALA 100 16.350 -2.563 8.746 683 H GLU 101 HN GLU 101 18.208 0.461 9.544 684 HA GLU 101 HA GLU 101 17.588 2.338 7.532 685 HB2 GLU 101 HB2 GLU 101 20.306 1.360 8.422 686 HB3 GLU 101 HB1 GLU 101 19.998 2.808 7.482 687 HG2 GLU 101 HG2 GLU 101 20.352 3.567 9.656 688 HG3 GLU 101 HG1 GLU 101 18.602 3.601 9.452 689 H GLY 102 HN GLY 102 16.892 1.543 5.613 690 HA2 GLY 102 HA2 GLY 102 17.138 0.798 3.452 691 HA3 GLY 102 HA1 GLY 102 18.848 0.609 3.782 692 H CYS 103 HN CYS 103 16.249 -1.081 5.504 693 HA CYS 103 HA CYS 103 17.366 -3.581 4.406 694 HB2 CYS 103 HB2 CYS 103 15.722 -3.214 6.915 695 HB3 CYS 103 HB1 CYS 103 16.456 -4.713 6.363 696 H ALA 104 HN ALA 104 15.090 -1.663 3.472 697 HA ALA 104 HA ALA 104 12.924 -3.636 3.334 698 HB1 ALA 104 HB1 ALA 104 11.453 -1.878 2.817 699 HB2 ALA 104 HB2 ALA 104 12.769 -0.797 2.364 700 HB3 ALA 104 HB3 ALA 104 12.526 -1.222 4.058 701 H SER 105 HN SER 105 15.437 -3.792 1.776 702 HA SER 105 HA SER 105 14.836 -3.115 -0.934 703 HB2 SER 105 HB2 SER 105 16.842 -4.751 -1.304 704 HB3 SER 105 HB1 SER 105 17.127 -3.206 -0.499 705 HG SER 105 HG SER 105 18.054 -5.102 0.566 706 H CYS 106 HN CYS 106 15.263 -6.258 0.665 707 HA CYS 106 HA CYS 106 14.300 -7.920 -1.356 708 HB2 CYS 106 HB2 CYS 106 13.753 -9.481 0.612 709 HB3 CYS 106 HB1 CYS 106 15.425 -8.927 0.485 710 H PHE 107 HN PHE 107 12.605 -6.231 1.182 711 HA PHE 107 HA PHE 107 10.062 -7.444 0.702 712 HB2 PHE 107 HB2 PHE 107 10.922 -6.595 2.887 713 HB3 PHE 107 HB1 PHE 107 10.769 -4.962 2.264 714 HD1 PHE 107 HD2 PHE 107 8.068 -6.793 0.981 715 HD2 PHE 107 HD1 PHE 107 9.529 -5.020 4.557 716 HE1 PHE 107 HE2 PHE 107 5.777 -6.692 1.865 717 HE2 PHE 107 HE1 PHE 107 7.266 -4.925 5.456 718 HZ PHE 107 HZ PHE 107 5.372 -5.751 4.100 719 H CYS 108 HN CYS 108 10.757 -3.989 0.773 720 HA CYS 108 HA CYS 108 8.604 -3.334 -0.944 721 HB2 CYS 108 HB2 CYS 108 10.908 -1.694 0.083 722 HB3 CYS 108 HB1 CYS 108 9.494 -1.037 -0.730 723 H GLU 109 HN GLU 109 10.559 -5.036 -2.312 724 HA GLU 109 HA GLU 109 12.189 -3.579 -4.068 725 HB2 GLU 109 HB2 GLU 109 12.211 -6.067 -3.695 726 HB3 GLU 109 HB1 GLU 109 10.718 -6.176 -4.607 727 HG2 GLU 109 HG2 GLU 109 12.500 -6.799 -6.042 728 HG3 GLU 109 HG1 GLU 109 11.888 -5.233 -6.569 729 H ASP 110 HN ASP 110 8.966 -4.984 -4.621 730 HA ASP 110 HA ASP 110 8.547 -3.134 -6.861 731 HB2 ASP 110 HB2 ASP 110 8.122 -5.595 -7.159 732 HB3 ASP 110 HB1 ASP 110 6.829 -5.467 -5.972 733 H HIS 111 HN HIS 111 7.732 -3.701 -3.609 734 HA HIS 111 HA HIS 111 5.319 -2.049 -3.656 735 HB2 HIS 111 HB2 HIS 111 6.584 -3.154 -1.161 736 HB3 HIS 111 HB1 HIS 111 4.892 -2.797 -1.473 737 HD2 HIS 111 HD2 HIS 111 7.120 -5.792 -1.232 738 HE1 HIS 111 HE1 HIS 111 3.893 -6.987 -3.727 739 HE2 HIS 111 HE2 HIS 111 5.919 -7.753 -2.430 740 H CYS 112 HN CYS 112 6.953 -0.251 -4.397 741 HA CYS 112 HA CYS 112 7.906 1.078 -1.945 742 HB2 CYS 112 HB2 CYS 112 9.669 0.206 -3.650 743 HB3 CYS 112 HB1 CYS 112 9.169 1.587 -4.623 744 H HIS 113 HN HIS 113 5.430 1.687 -2.373 745 HA HIS 113 HA HIS 113 5.545 4.331 -3.565 746 HB2 HIS 113 HB2 HIS 113 3.297 3.981 -4.602 747 HB3 HIS 113 HB1 HIS 113 4.600 3.063 -5.343 748 HD2 HIS 113 HD2 HIS 113 1.107 2.506 -4.268 749 HE1 HIS 113 HE1 HIS 113 2.950 -1.300 -3.922 750 HE2 HIS 113 HE2 HIS 113 0.788 -0.004 -3.755 751 H GLY 114 HN GLY 114 4.153 2.190 -1.193 752 HA2 GLY 114 HA2 GLY 114 2.843 4.556 0.008 753 HA3 GLY 114 HA1 GLY 114 2.069 2.979 0.005 754 H VAL 115 HN VAL 115 3.386 5.026 2.000 755 HA VAL 115 HA VAL 115 4.413 5.106 3.990 756 HB VAL 115 HB VAL 115 4.099 3.352 5.614 757 HG11 VAL 115 HG11 VAL 115 1.599 3.104 5.429 758 HG12 VAL 115 HG12 VAL 115 1.720 3.931 3.872 759 HG13 VAL 115 HG13 VAL 115 2.232 4.749 5.349 760 HG21 VAL 115 HG21 VAL 115 3.650 1.176 5.216 761 HG22 VAL 115 HG22 VAL 115 4.402 1.538 3.663 762 HG23 VAL 115 HG23 VAL 115 2.647 1.537 3.805 763 H CYS 116 HN CYS 116 5.613 2.455 2.040 764 HA CYS 116 HA CYS 116 7.943 2.123 3.690 765 HB2 CYS 116 HB2 CYS 116 6.962 0.275 2.329 766 HB3 CYS 116 HB1 CYS 116 7.507 1.114 0.882 767 H LYS 117 HN LYS 117 7.160 3.786 0.663 768 HA LYS 117 HA LYS 117 9.921 4.502 0.284 769 HB2 LYS 117 HB2 LYS 117 9.316 5.732 -1.650 770 HB3 LYS 117 HB1 LYS 117 8.425 4.224 -1.667 771 HG2 LYS 117 HG2 LYS 117 6.382 5.332 -1.146 772 HG3 LYS 117 HG1 LYS 117 7.227 6.844 -0.785 773 HD2 LYS 117 HD2 LYS 117 7.925 7.068 -3.076 774 HD3 LYS 117 HD1 LYS 117 7.270 5.483 -3.477 775 HE2 LYS 117 HE2 LYS 117 5.001 6.377 -2.862 776 HE3 LYS 117 HE1 LYS 117 5.742 7.977 -2.739 777 HZ1 LYS 117 HZ1 LYS 117 5.749 8.196 -4.948 778 HZ2 LYS 117 HZ2 LYS 117 4.744 6.828 -5.020 779 HZ3 LYS 117 HZ3 LYS 117 6.423 6.653 -5.188 780 H ASP 118 HN ASP 118 8.256 5.293 2.696 781 HA ASP 118 HA ASP 118 8.384 8.171 2.725 782 HB2 ASP 118 HB2 ASP 118 6.742 7.360 4.178 783 HB3 ASP 118 HB1 ASP 118 7.730 6.015 4.724 784 H LEU 119 HN LEU 119 10.363 5.460 3.248 785 HA LEU 119 HA LEU 119 12.549 6.964 4.500 786 HB2 LEU 119 HB2 LEU 119 12.381 4.031 3.744 787 HB3 LEU 119 HB1 LEU 119 13.678 4.785 4.649 788 HG LEU 119 HG LEU 119 10.833 4.625 5.632 789 HD11 LEU 119 HD11 LEU 119 11.736 2.387 5.344 790 HD12 LEU 119 HD12 LEU 119 11.616 2.794 7.056 791 HD13 LEU 119 HD13 LEU 119 13.181 2.842 6.246 792 HD21 LEU 119 HD21 LEU 119 11.759 6.271 6.917 793 HD22 LEU 119 HD22 LEU 119 13.400 5.652 6.726 794 HD23 LEU 119 HD23 LEU 119 12.280 4.857 7.832 795 H HIS 120 HN HIS 120 11.437 5.438 1.629 796 HA HIS 120 HA HIS 120 12.080 5.332 -0.524 797 HB2 HIS 120 HB2 HIS 120 12.069 7.897 0.058 798 HB3 HIS 120 HB1 HIS 120 13.807 7.746 -0.195 799 HD2 HIS 120 HD2 HIS 120 14.361 8.474 -2.734 800 HE1 HIS 120 HE1 HIS 120 10.867 6.934 -4.587 801 HE2 HIS 120 HE2 HIS 120 13.010 8.224 -4.929 802 H LEU 121 HN LEU 121 13.354 3.398 0.020 803 HA LEU 121 HA LEU 121 16.152 3.810 -0.587 804 HB2 LEU 121 HB2 LEU 121 16.793 2.101 0.960 805 HB3 LEU 121 HB1 LEU 121 15.973 3.377 1.802 806 HG LEU 121 HG LEU 121 15.315 1.362 2.836 807 HD11 LEU 121 HD11 LEU 121 13.420 2.779 2.601 808 HD12 LEU 121 HD12 LEU 121 12.900 1.114 2.336 809 HD13 LEU 121 HD13 LEU 121 13.120 2.197 0.964 810 HD21 LEU 121 HD21 LEU 121 14.119 -0.403 1.262 811 HD22 LEU 121 HD22 LEU 121 15.852 -0.435 1.589 812 HD23 LEU 121 HD23 LEU 121 15.249 0.274 0.090 813 H CYS 122 HN CYS 122 13.306 2.512 -1.538 814 HA CYS 122 HA CYS 122 14.567 0.248 -2.933 815 HB2 CYS 122 HB2 CYS 122 11.958 -0.197 -3.366 816 HB3 CYS 122 HB1 CYS 122 12.783 -0.808 -1.938 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -32.155 -0.067 -2.047 2 H2 ALA 1 HT2 ALA 1 -33.438 -1.123 -2.478 3 H3 ALA 1 HT3 ALA 1 -33.776 0.497 -2.014 4 HA ALA 1 HA ALA 1 -33.229 -0.554 -4.528 5 HB1 ALA 1 HB1 ALA 1 -34.957 1.071 -4.128 6 HB2 ALA 1 HB2 ALA 1 -33.768 1.763 -5.231 7 HB3 ALA 1 HB3 ALA 1 -33.777 2.242 -3.533 8 H MET 2 HN MET 2 -31.884 2.555 -3.502 9 HA MET 2 HA MET 2 -29.393 1.781 -4.850 10 HB2 MET 2 HB2 MET 2 -30.232 4.558 -4.016 11 HB3 MET 2 HB1 MET 2 -28.923 4.122 -5.106 12 HG2 MET 2 HG2 MET 2 -30.987 2.984 -6.395 13 HG3 MET 2 HG1 MET 2 -31.821 4.316 -5.597 14 HE1 MET 2 HE1 MET 2 -28.122 4.893 -8.211 15 HE2 MET 2 HE2 MET 2 -29.145 3.505 -8.581 16 HE3 MET 2 HE3 MET 2 -28.398 3.651 -6.990 17 H GLY 3 HN GLY 3 -27.831 1.084 -3.571 18 HA2 GLY 3 HA2 GLY 3 -27.774 2.054 -0.796 19 HA3 GLY 3 HA1 GLY 3 -27.074 0.547 -1.360 20 H LYS 4 HN LYS 4 -25.486 1.873 0.176 21 HA LYS 4 HA LYS 4 -23.778 3.619 -1.426 22 HB2 LYS 4 HB2 LYS 4 -22.595 4.040 0.711 23 HB3 LYS 4 HB1 LYS 4 -24.308 4.421 0.797 24 HG2 LYS 4 HG2 LYS 4 -24.289 1.838 1.665 25 HG3 LYS 4 HG1 LYS 4 -22.746 2.428 2.276 26 HD2 LYS 4 HD2 LYS 4 -25.434 3.723 2.747 27 HD3 LYS 4 HD1 LYS 4 -24.559 2.725 3.907 28 HE2 LYS 4 HE2 LYS 4 -23.591 5.347 2.760 29 HE3 LYS 4 HE1 LYS 4 -24.287 5.122 4.363 30 HZ1 LYS 4 HZ1 LYS 4 -21.609 4.592 3.440 31 HZ2 LYS 4 HZ2 LYS 4 -22.284 3.304 4.309 32 HZ3 LYS 4 HZ3 LYS 4 -22.192 4.834 5.014 33 H CYS 5 HN CYS 5 -23.940 0.434 -0.102 34 HA CYS 5 HA CYS 5 -21.892 -0.603 -1.716 35 HB2 CYS 5 HB2 CYS 5 -20.536 0.701 0.039 36 HB3 CYS 5 HB1 CYS 5 -21.079 -0.512 1.193 37 H SER 6 HN SER 6 -24.144 -1.629 -1.735 38 HA SER 6 HA SER 6 -24.898 -3.339 0.404 39 HB2 SER 6 HB2 SER 6 -25.744 -3.461 -2.496 40 HB3 SER 6 HB1 SER 6 -26.602 -4.154 -1.117 41 HG SER 6 HG SER 6 -27.505 -2.282 -0.823 42 H VAL 7 HN VAL 7 -25.236 -5.752 0.021 43 HA VAL 7 HA VAL 7 -22.660 -6.887 -0.487 44 HB VAL 7 HB VAL 7 -23.779 -9.075 0.067 45 HG11 VAL 7 HG11 VAL 7 -23.863 -6.723 1.932 46 HG12 VAL 7 HG12 VAL 7 -22.676 -8.025 1.841 47 HG13 VAL 7 HG13 VAL 7 -24.292 -8.348 2.466 48 HG21 VAL 7 HG21 VAL 7 -26.024 -9.046 0.973 49 HG22 VAL 7 HG22 VAL 7 -26.047 -8.445 -0.686 50 HG23 VAL 7 HG23 VAL 7 -26.159 -7.316 0.665 51 H LEU 8 HN LEU 8 -25.826 -7.235 -2.169 52 HA LEU 8 HA LEU 8 -24.424 -8.782 -4.212 53 HB2 LEU 8 HB2 LEU 8 -26.612 -9.108 -5.264 54 HB3 LEU 8 HB1 LEU 8 -26.617 -9.627 -3.593 55 HG LEU 8 HG LEU 8 -27.560 -7.100 -3.317 56 HD11 LEU 8 HD11 LEU 8 -29.391 -7.176 -5.235 57 HD12 LEU 8 HD12 LEU 8 -28.066 -7.948 -6.109 58 HD13 LEU 8 HD13 LEU 8 -27.854 -6.335 -5.429 59 HD21 LEU 8 HD21 LEU 8 -29.874 -8.457 -3.742 60 HD22 LEU 8 HD22 LEU 8 -28.919 -8.543 -2.260 61 HD23 LEU 8 HD23 LEU 8 -28.737 -9.782 -3.502 62 H LYS 9 HN LYS 9 -25.437 -5.599 -3.576 63 HA LYS 9 HA LYS 9 -25.057 -4.807 -6.356 64 HB2 LYS 9 HB2 LYS 9 -25.733 -2.998 -4.034 65 HB3 LYS 9 HB1 LYS 9 -25.996 -2.724 -5.743 66 HG2 LYS 9 HG2 LYS 9 -27.707 -4.468 -5.770 67 HG3 LYS 9 HG1 LYS 9 -27.454 -4.731 -4.043 68 HD2 LYS 9 HD2 LYS 9 -29.262 -3.321 -4.004 69 HD3 LYS 9 HD1 LYS 9 -27.936 -2.157 -3.904 70 HE2 LYS 9 HE2 LYS 9 -29.505 -1.365 -5.520 71 HE3 LYS 9 HE1 LYS 9 -28.066 -1.908 -6.385 72 HZ1 LYS 9 HZ1 LYS 9 -30.605 -2.645 -6.957 73 HZ2 LYS 9 HZ2 LYS 9 -30.075 -3.955 -6.023 74 HZ3 LYS 9 HZ3 LYS 9 -29.221 -3.511 -7.422 75 H LYS 10 HN LYS 10 -22.949 -5.882 -4.703 76 HA LYS 10 HA LYS 10 -21.255 -3.752 -3.830 77 HB2 LYS 10 HB2 LYS 10 -19.544 -5.501 -3.558 78 HB3 LYS 10 HB1 LYS 10 -21.069 -5.980 -2.819 79 HG2 LYS 10 HG2 LYS 10 -21.558 -7.404 -4.725 80 HG3 LYS 10 HG1 LYS 10 -20.058 -6.898 -5.505 81 HD2 LYS 10 HD2 LYS 10 -18.748 -7.889 -3.742 82 HD3 LYS 10 HD1 LYS 10 -20.207 -8.273 -2.825 83 HE2 LYS 10 HE2 LYS 10 -20.917 -9.824 -4.546 84 HE3 LYS 10 HE1 LYS 10 -19.535 -9.385 -5.548 85 HZ1 LYS 10 HZ1 LYS 10 -19.541 -10.910 -3.002 86 HZ2 LYS 10 HZ2 LYS 10 -18.130 -10.203 -3.620 87 HZ3 LYS 10 HZ3 LYS 10 -18.939 -11.385 -4.520 88 H VAL 11 HN VAL 11 -22.203 -4.803 -6.789 89 HA VAL 11 HA VAL 11 -21.557 -4.467 -8.929 90 HB VAL 11 HB VAL 11 -19.716 -2.390 -7.755 91 HG11 VAL 11 HG11 VAL 11 -20.578 -3.042 -10.495 92 HG12 VAL 11 HG12 VAL 11 -19.117 -2.228 -9.933 93 HG13 VAL 11 HG13 VAL 11 -20.629 -1.331 -10.074 94 HG21 VAL 11 HG21 VAL 11 -21.476 -0.826 -7.775 95 HG22 VAL 11 HG22 VAL 11 -22.124 -2.270 -6.998 96 HG23 VAL 11 HG23 VAL 11 -22.535 -1.912 -8.676 97 H ALA 12 HN ALA 12 -20.392 -6.552 -7.623 98 HA ALA 12 HA ALA 12 -18.699 -8.079 -7.685 99 HB1 ALA 12 HB1 ALA 12 -17.926 -8.589 -9.781 100 HB2 ALA 12 HB2 ALA 12 -17.737 -6.898 -10.247 101 HB3 ALA 12 HB3 ALA 12 -19.346 -7.616 -10.162 102 H CYS 13 HN CYS 13 -18.043 -5.490 -6.410 103 HA CYS 13 HA CYS 13 -16.263 -4.546 -5.342 104 HB2 CYS 13 HB2 CYS 13 -14.486 -6.645 -6.572 105 HB3 CYS 13 HB1 CYS 13 -14.267 -5.792 -5.047 106 H ALA 14 HN ALA 14 -16.692 -4.453 -8.534 107 HA ALA 14 HA ALA 14 -14.165 -3.428 -9.400 108 HB1 ALA 14 HB1 ALA 14 -16.652 -4.207 -10.626 109 HB2 ALA 14 HB2 ALA 14 -15.036 -4.091 -11.326 110 HB3 ALA 14 HB3 ALA 14 -16.077 -2.670 -11.274 111 H ALA 15 HN ALA 15 -16.784 -2.043 -7.736 112 HA ALA 15 HA ALA 15 -16.196 0.628 -8.772 113 HB1 ALA 15 HB1 ALA 15 -18.584 -0.436 -8.277 114 HB2 ALA 15 HB2 ALA 15 -18.266 1.291 -8.102 115 HB3 ALA 15 HB3 ALA 15 -18.264 0.247 -6.682 116 H ALA 16 HN ALA 16 -14.574 -1.089 -6.770 117 HA ALA 16 HA ALA 16 -13.941 1.176 -5.054 118 HB1 ALA 16 HB1 ALA 16 -14.703 0.353 -3.135 119 HB2 ALA 16 HB2 ALA 16 -13.937 -1.206 -3.430 120 HB3 ALA 16 HB3 ALA 16 -15.549 -0.881 -4.070 121 H ILE 17 HN ILE 17 -13.212 -2.280 -5.405 122 HA ILE 17 HA ILE 17 -10.446 -1.933 -4.805 123 HB ILE 17 HB ILE 17 -12.084 -4.259 -5.797 124 HG12 ILE 17 HG12 ILE 17 -10.603 -3.851 -3.177 125 HG13 ILE 17 HG11 ILE 17 -12.311 -3.439 -3.428 126 HG21 ILE 17 HG21 ILE 17 -10.260 -5.693 -5.760 127 HG22 ILE 17 HG22 ILE 17 -9.240 -4.540 -4.895 128 HG23 ILE 17 HG23 ILE 17 -9.641 -4.268 -6.592 129 HD11 ILE 17 HD11 ILE 17 -11.267 -6.184 -3.985 130 HD12 ILE 17 HD12 ILE 17 -12.930 -5.664 -3.703 131 HD13 ILE 17 HD13 ILE 17 -11.774 -5.685 -2.372 132 H ALA 18 HN ALA 18 -12.314 -2.514 -7.759 133 HA ALA 18 HA ALA 18 -10.148 -2.868 -9.476 134 HB1 ALA 18 HB1 ALA 18 -12.297 -3.461 -10.264 135 HB2 ALA 18 HB2 ALA 18 -11.716 -2.153 -11.295 136 HB3 ALA 18 HB3 ALA 18 -12.907 -1.821 -10.036 137 H GLY 19 HN GLY 19 -11.618 0.092 -8.292 138 HA2 GLY 19 HA2 GLY 19 -10.066 1.745 -10.109 139 HA3 GLY 19 HA1 GLY 19 -11.177 2.315 -8.873 140 H ALA 20 HN ALA 20 -9.960 0.747 -6.756 141 HA ALA 20 HA ALA 20 -8.024 2.635 -5.921 142 HB1 ALA 20 HB1 ALA 20 -8.367 -0.010 -4.584 143 HB2 ALA 20 HB2 ALA 20 -9.663 1.187 -4.540 144 HB3 ALA 20 HB3 ALA 20 -8.078 1.577 -3.872 145 H VAL 21 HN VAL 21 -7.838 -0.565 -7.286 146 HA VAL 21 HA VAL 21 -5.128 -1.096 -6.796 147 HB VAL 21 HB VAL 21 -7.131 -2.113 -8.817 148 HG11 VAL 21 HG11 VAL 21 -4.457 -2.094 -9.366 149 HG12 VAL 21 HG12 VAL 21 -5.602 -3.292 -9.973 150 HG13 VAL 21 HG13 VAL 21 -4.652 -3.629 -8.529 151 HG21 VAL 21 HG21 VAL 21 -5.678 -3.460 -6.549 152 HG22 VAL 21 HG22 VAL 21 -6.990 -4.141 -7.507 153 HG23 VAL 21 HG23 VAL 21 -7.298 -2.777 -6.428 154 H ALA 22 HN ALA 22 -6.813 0.420 -9.545 155 HA ALA 22 HA ALA 22 -4.510 0.759 -11.151 156 HB1 ALA 22 HB1 ALA 22 -6.601 2.767 -11.509 157 HB2 ALA 22 HB2 ALA 22 -7.193 1.106 -11.530 158 HB3 ALA 22 HB3 ALA 22 -5.929 1.611 -12.655 159 H ALA 23 HN ALA 23 -5.708 2.508 -8.428 160 HA ALA 23 HA ALA 23 -4.470 5.003 -8.976 161 HB1 ALA 23 HB1 ALA 23 -5.628 3.758 -6.511 162 HB2 ALA 23 HB2 ALA 23 -6.228 5.116 -7.464 163 HB3 ALA 23 HB3 ALA 23 -4.797 5.314 -6.453 164 H CYS 24 HN CYS 24 -3.471 2.186 -7.020 165 HA CYS 24 HA CYS 24 -0.900 3.544 -6.587 166 HB2 CYS 24 HB2 CYS 24 -2.010 1.102 -5.195 167 HB3 CYS 24 HB1 CYS 24 -0.522 1.948 -4.778 168 H GLY 25 HN GLY 25 -2.124 1.470 -8.793 169 HA2 GLY 25 HA2 GLY 25 -0.977 0.303 -10.449 170 HA3 GLY 25 HA1 GLY 25 0.514 0.583 -9.564 171 H GLY 26 HN GLY 26 -2.461 -1.004 -8.481 172 HA2 GLY 26 HA2 GLY 26 -2.431 -3.532 -8.691 173 HA3 GLY 26 HA1 GLY 26 -0.841 -3.415 -7.944 174 H ILE 27 HN ILE 27 -2.310 -4.988 -6.544 175 HA ILE 27 HA ILE 27 -4.066 -3.635 -4.726 176 HB ILE 27 HB ILE 27 -4.155 -5.726 -3.464 177 HG12 ILE 27 HG12 ILE 27 -2.800 -7.529 -5.180 178 HG13 ILE 27 HG11 ILE 27 -1.660 -6.247 -4.781 179 HG21 ILE 27 HG21 ILE 27 -5.764 -5.890 -5.043 180 HG22 ILE 27 HG22 ILE 27 -4.742 -7.216 -5.598 181 HG23 ILE 27 HG23 ILE 27 -4.636 -5.636 -6.376 182 HD11 ILE 27 HD11 ILE 27 -3.201 -7.307 -2.517 183 HD12 ILE 27 HD12 ILE 27 -1.492 -6.886 -2.639 184 HD13 ILE 27 HD13 ILE 27 -2.066 -8.431 -3.267 185 H ASP 28 HN ASP 28 -3.716 -2.819 -2.853 186 HA ASP 28 HA ASP 28 -1.198 -3.203 -1.465 187 HB2 ASP 28 HB2 ASP 28 -0.925 -1.308 -3.133 188 HB3 ASP 28 HB1 ASP 28 -2.169 -0.440 -2.248 189 H LEU 29 HN LEU 29 -2.366 -0.436 -0.311 190 HA LEU 29 HA LEU 29 -4.810 -0.906 0.864 191 HB2 LEU 29 HB2 LEU 29 -3.590 -2.870 1.882 192 HB3 LEU 29 HB1 LEU 29 -2.652 -1.713 2.807 193 HG LEU 29 HG LEU 29 -4.755 -0.881 3.834 194 HD11 LEU 29 HD11 LEU 29 -6.674 -2.659 3.592 195 HD12 LEU 29 HD12 LEU 29 -5.920 -2.950 2.024 196 HD13 LEU 29 HD13 LEU 29 -6.516 -1.338 2.434 197 HD21 LEU 29 HD21 LEU 29 -3.311 -3.199 4.377 198 HD22 LEU 29 HD22 LEU 29 -5.002 -3.672 4.530 199 HD23 LEU 29 HD23 LEU 29 -4.372 -2.327 5.481 200 HA PRO 30 HA PRO 30 -2.378 2.357 3.717 201 HB2 PRO 30 HB2 PRO 30 -0.107 3.199 2.255 202 HB3 PRO 30 HB1 PRO 30 -0.129 2.341 3.797 203 HG2 PRO 30 HG2 PRO 30 0.293 1.302 1.059 204 HG3 PRO 30 HG1 PRO 30 0.891 0.680 2.605 205 HD2 PRO 30 HD2 PRO 30 -1.083 -0.530 1.225 206 HD3 PRO 30 HD1 PRO 30 -1.025 -0.538 3.001 207 H CYS 31 HN CYS 31 -2.186 2.398 0.181 208 HA CYS 31 HA CYS 31 -3.198 5.132 0.256 209 HB2 CYS 31 HB2 CYS 31 -2.390 5.260 -2.114 210 HB3 CYS 31 HB1 CYS 31 -1.116 5.019 -0.926 211 H VAL 32 HN VAL 32 -3.761 1.924 -0.854 212 HA VAL 32 HA VAL 32 -5.799 2.393 -2.726 213 HB VAL 32 HB VAL 32 -4.949 -0.013 -1.117 214 HG11 VAL 32 HG11 VAL 32 -7.444 0.139 -2.007 215 HG12 VAL 32 HG12 VAL 32 -6.512 -1.357 -2.016 216 HG13 VAL 32 HG13 VAL 32 -6.652 -0.395 -3.490 217 HG21 VAL 32 HG21 VAL 32 -4.749 -0.067 -4.019 218 HG22 VAL 32 HG22 VAL 32 -3.541 -0.438 -2.788 219 HG23 VAL 32 HG23 VAL 32 -3.818 1.234 -3.278 220 H LEU 33 HN LEU 33 -5.825 2.293 0.752 221 HA LEU 33 HA LEU 33 -8.416 1.503 1.316 222 HB2 LEU 33 HB2 LEU 33 -8.192 2.600 3.427 223 HB3 LEU 33 HB1 LEU 33 -6.650 1.893 2.995 224 HG LEU 33 HG LEU 33 -6.177 4.357 2.103 225 HD11 LEU 33 HD11 LEU 33 -8.172 5.469 2.543 226 HD12 LEU 33 HD12 LEU 33 -7.145 5.912 3.906 227 HD13 LEU 33 HD13 LEU 33 -8.386 4.674 4.101 228 HD21 LEU 33 HD21 LEU 33 -4.647 3.655 3.610 229 HD22 LEU 33 HD22 LEU 33 -5.866 3.088 4.755 230 HD23 LEU 33 HD23 LEU 33 -5.506 4.810 4.625 231 H ALA 34 HN ALA 34 -7.352 4.522 -0.049 232 HA ALA 34 HA ALA 34 -9.529 6.148 0.646 233 HB1 ALA 34 HB1 ALA 34 -7.633 6.261 -1.687 234 HB2 ALA 34 HB2 ALA 34 -7.556 7.175 -0.180 235 HB3 ALA 34 HB3 ALA 34 -8.835 7.506 -1.349 236 H ALA 35 HN ALA 35 -8.940 4.569 -2.521 237 HA ALA 35 HA ALA 35 -11.652 5.073 -3.337 238 HB1 ALA 35 HB1 ALA 35 -10.492 5.040 -5.253 239 HB2 ALA 35 HB2 ALA 35 -10.720 3.293 -5.170 240 HB3 ALA 35 HB3 ALA 35 -9.223 4.015 -4.582 241 H LEU 36 HN LEU 36 -10.022 2.545 -1.706 242 HA LEU 36 HA LEU 36 -11.735 0.378 -2.359 243 HB2 LEU 36 HB2 LEU 36 -9.509 0.044 -1.426 244 HB3 LEU 36 HB1 LEU 36 -9.968 0.888 0.039 245 HG LEU 36 HG LEU 36 -11.625 -0.954 0.481 246 HD11 LEU 36 HD11 LEU 36 -10.343 -2.987 -1.037 247 HD12 LEU 36 HD12 LEU 36 -10.882 -1.718 -2.142 248 HD13 LEU 36 HD13 LEU 36 -12.035 -2.489 -1.052 249 HD21 LEU 36 HD21 LEU 36 -9.874 -2.573 1.183 250 HD22 LEU 36 HD22 LEU 36 -9.544 -0.909 1.670 251 HD23 LEU 36 HD23 LEU 36 -8.696 -1.613 0.293 252 H LYS 37 HN LYS 37 -11.767 2.869 0.102 253 HA LYS 37 HA LYS 37 -13.823 1.819 1.724 254 HB2 LYS 37 HB2 LYS 37 -12.115 3.677 2.215 255 HB3 LYS 37 HB1 LYS 37 -13.226 4.748 1.375 256 HG2 LYS 37 HG2 LYS 37 -14.938 4.369 2.986 257 HG3 LYS 37 HG1 LYS 37 -14.006 3.080 3.754 258 HD2 LYS 37 HD2 LYS 37 -13.311 6.022 3.681 259 HD3 LYS 37 HD1 LYS 37 -13.856 5.095 5.086 260 HE2 LYS 37 HE2 LYS 37 -11.805 3.627 4.700 261 HE3 LYS 37 HE1 LYS 37 -11.246 4.880 3.595 262 HZ1 LYS 37 HZ1 LYS 37 -10.518 4.922 6.063 263 HZ2 LYS 37 HZ2 LYS 37 -12.041 5.612 6.336 264 HZ3 LYS 37 HZ3 LYS 37 -10.934 6.383 5.299 265 H ALA 38 HN ALA 38 -13.853 3.997 -1.053 266 HA ALA 38 HA ALA 38 -15.500 4.792 -2.392 267 HB1 ALA 38 HB1 ALA 38 -17.347 3.327 -2.907 268 HB2 ALA 38 HB2 ALA 38 -17.067 2.403 -1.429 269 HB3 ALA 38 HB3 ALA 38 -15.874 2.375 -2.726 270 H ALA 39 HN ALA 39 -18.102 3.483 -0.528 271 HA ALA 39 HA ALA 39 -18.553 6.091 0.755 272 HB1 ALA 39 HB1 ALA 39 -21.092 5.390 0.208 273 HB2 ALA 39 HB2 ALA 39 -20.276 4.707 -1.198 274 HB3 ALA 39 HB3 ALA 39 -20.119 6.426 -0.836 275 H GLU 40 HN GLU 40 -17.715 3.262 1.572 276 HA GLU 40 HA GLU 40 -19.060 3.225 4.082 277 HB2 GLU 40 HB2 GLU 40 -20.780 2.170 2.544 278 HB3 GLU 40 HB1 GLU 40 -19.630 0.876 2.255 279 HG2 GLU 40 HG2 GLU 40 -19.652 0.421 4.714 280 HG3 GLU 40 HG1 GLU 40 -20.971 1.584 4.851 281 H GLY 41 HN GLY 41 -18.378 0.089 3.037 282 HA2 GLY 41 HA2 GLY 41 -15.646 0.254 4.149 283 HA3 GLY 41 HA1 GLY 41 -16.681 -1.170 4.265 284 H CYS 42 HN CYS 42 -17.541 -1.868 2.049 285 HA CYS 42 HA CYS 42 -17.058 -2.989 0.129 286 HB2 CYS 42 HB2 CYS 42 -15.577 -0.476 -0.634 287 HB3 CYS 42 HB1 CYS 42 -16.428 -1.593 -1.695 288 H ALA 43 HN ALA 43 -14.998 -3.308 2.252 289 HA ALA 43 HA ALA 43 -12.675 -3.809 0.512 290 HB1 ALA 43 HB1 ALA 43 -11.600 -2.547 1.994 291 HB2 ALA 43 HB2 ALA 43 -11.685 -3.955 3.056 292 HB3 ALA 43 HB3 ALA 43 -12.894 -2.679 3.185 293 H SER 44 HN SER 44 -15.056 -5.310 2.443 294 HA SER 44 HA SER 44 -13.730 -7.566 3.412 295 HB2 SER 44 HB2 SER 44 -16.552 -7.652 2.363 296 HB3 SER 44 HB1 SER 44 -15.861 -8.518 3.738 297 HG SER 44 HG SER 44 -15.835 -6.654 4.919 298 H CYS 45 HN CYS 45 -14.492 -6.731 0.181 299 HA CYS 45 HA CYS 45 -14.735 -9.295 -0.938 300 HB2 CYS 45 HB2 CYS 45 -15.427 -7.226 -2.071 301 HB3 CYS 45 HB1 CYS 45 -13.739 -6.754 -2.223 302 H PHE 46 HN PHE 46 -11.873 -7.153 -0.819 303 HA PHE 46 HA PHE 46 -10.265 -9.538 -1.430 304 HB2 PHE 46 HB2 PHE 46 -8.910 -8.262 -2.719 305 HB3 PHE 46 HB1 PHE 46 -10.272 -7.173 -2.730 306 HD1 PHE 46 HD2 PHE 46 -6.946 -7.789 -1.313 307 HD2 PHE 46 HD1 PHE 46 -10.210 -5.092 -1.676 308 HE1 PHE 46 HE2 PHE 46 -5.554 -5.990 -0.385 309 HE2 PHE 46 HE1 PHE 46 -8.836 -3.290 -0.773 310 HZ PHE 46 HZ PHE 46 -6.499 -3.748 -0.105 311 H CYS 47 HN CYS 47 -10.358 -6.655 0.590 312 HA CYS 47 HA CYS 47 -8.176 -7.345 2.272 313 HB2 CYS 47 HB2 CYS 47 -9.736 -5.112 1.904 314 HB3 CYS 47 HB1 CYS 47 -10.277 -5.679 3.480 315 H GLU 48 HN GLU 48 -10.453 -9.350 1.917 316 HA GLU 48 HA GLU 48 -11.849 -9.706 4.325 317 HB2 GLU 48 HB2 GLU 48 -12.385 -10.751 2.148 318 HB3 GLU 48 HB1 GLU 48 -10.956 -11.751 2.283 319 HG2 GLU 48 HG2 GLU 48 -12.819 -13.084 2.867 320 HG3 GLU 48 HG1 GLU 48 -11.915 -12.755 4.341 321 H ASP 49 HN ASP 49 -9.384 -11.977 3.173 322 HA ASP 49 HA ASP 49 -8.791 -12.926 5.782 323 HB2 ASP 49 HB2 ASP 49 -8.567 -14.221 3.615 324 HB3 ASP 49 HB1 ASP 49 -7.104 -13.295 3.300 325 H HIS 50 HN HIS 50 -7.065 -10.813 3.522 326 HA HIS 50 HA HIS 50 -5.144 -10.222 5.648 327 HB2 HIS 50 HB2 HIS 50 -3.815 -9.134 3.767 328 HB3 HIS 50 HB1 HIS 50 -3.944 -10.884 3.750 329 HD2 HIS 50 HD2 HIS 50 -6.973 -8.987 2.149 330 HE1 HIS 50 HE1 HIS 50 -4.493 -10.456 -0.968 331 HE2 HIS 50 HE2 HIS 50 -6.791 -9.635 -0.344 332 H CYS 51 HN CYS 51 -5.609 -8.539 6.861 333 HA CYS 51 HA CYS 51 -5.981 -5.968 5.696 334 HB2 CYS 51 HB2 CYS 51 -8.200 -5.465 6.331 335 HB3 CYS 51 HB1 CYS 51 -8.287 -7.018 5.522 336 H HIS 52 HN HIS 52 -4.182 -7.199 7.490 337 HA HIS 52 HA HIS 52 -4.781 -6.285 10.142 338 HB2 HIS 52 HB2 HIS 52 -2.298 -7.013 10.495 339 HB3 HIS 52 HB1 HIS 52 -3.549 -8.228 10.268 340 HD2 HIS 52 HD2 HIS 52 -0.142 -7.449 8.930 341 HE1 HIS 52 HE1 HIS 52 -2.050 -9.729 5.901 342 HE2 HIS 52 HE2 HIS 52 0.110 -8.684 6.664 343 H GLY 53 HN GLY 53 -3.366 -4.906 7.375 344 HA2 GLY 53 HA2 GLY 53 -1.595 -3.114 8.765 345 HA3 GLY 53 HA1 GLY 53 -2.063 -3.012 7.073 346 H VAL 54 HN VAL 54 -3.029 -1.132 6.643 347 HA VAL 54 HA VAL 54 -4.406 0.318 8.754 348 HB VAL 54 HB VAL 54 -2.837 1.437 7.158 349 HG11 VAL 54 HG11 VAL 54 -5.007 0.846 5.161 350 HG12 VAL 54 HG12 VAL 54 -3.308 0.375 5.091 351 HG13 VAL 54 HG13 VAL 54 -3.763 2.072 4.917 352 HG21 VAL 54 HG21 VAL 54 -4.088 3.454 6.984 353 HG22 VAL 54 HG22 VAL 54 -4.604 2.629 8.455 354 HG23 VAL 54 HG23 VAL 54 -5.617 2.576 7.011 355 H CYS 55 HN CYS 55 -5.414 -2.246 7.406 356 HA CYS 55 HA CYS 55 -7.910 -1.274 6.238 357 HB2 CYS 55 HB2 CYS 55 -6.495 -3.268 5.373 358 HB3 CYS 55 HB1 CYS 55 -7.212 -4.160 6.708 359 H LYS 56 HN LYS 56 -6.811 -3.303 8.970 360 HA LYS 56 HA LYS 56 -9.487 -3.186 10.122 361 HB2 LYS 56 HB2 LYS 56 -8.719 -4.722 11.804 362 HB3 LYS 56 HB1 LYS 56 -8.194 -5.308 10.233 363 HG2 LYS 56 HG2 LYS 56 -5.951 -4.691 10.642 364 HG3 LYS 56 HG1 LYS 56 -6.399 -3.720 12.047 365 HD2 LYS 56 HD2 LYS 56 -7.033 -5.721 13.267 366 HD3 LYS 56 HD1 LYS 56 -6.728 -6.718 11.842 367 HE2 LYS 56 HE2 LYS 56 -4.891 -6.806 13.507 368 HE3 LYS 56 HE1 LYS 56 -4.370 -6.214 11.929 369 HZ1 LYS 56 HZ1 LYS 56 -4.787 -4.668 14.431 370 HZ2 LYS 56 HZ2 LYS 56 -4.705 -3.910 12.911 371 HZ3 LYS 56 HZ3 LYS 56 -3.382 -4.799 13.486 372 H ASP 57 HN ASP 57 -7.390 -0.924 9.875 373 HA ASP 57 HA ASP 57 -6.542 -0.101 12.399 374 HB2 ASP 57 HB2 ASP 57 -5.810 0.919 10.268 375 HB3 ASP 57 HB1 ASP 57 -7.401 1.625 10.057 376 H LEU 58 HN LEU 58 -9.605 0.400 10.726 377 HA LEU 58 HA LEU 58 -10.847 1.024 13.304 378 HB2 LEU 58 HB2 LEU 58 -10.402 3.090 11.720 379 HB3 LEU 58 HB1 LEU 58 -11.796 2.477 10.855 380 HG LEU 58 HG LEU 58 -11.773 3.316 13.765 381 HD11 LEU 58 HD11 LEU 58 -11.578 5.059 11.824 382 HD12 LEU 58 HD12 LEU 58 -12.678 5.329 13.176 383 HD13 LEU 58 HD13 LEU 58 -13.300 4.726 11.639 384 HD21 LEU 58 HD21 LEU 58 -13.415 1.504 13.065 385 HD22 LEU 58 HD22 LEU 58 -14.196 2.744 12.081 386 HD23 LEU 58 HD23 LEU 58 -14.086 2.943 13.830 387 H HIS 59 HN HIS 59 -12.103 1.001 9.987 388 HA HIS 59 HA HIS 59 -13.235 -1.619 10.300 389 HB2 HIS 59 HB2 HIS 59 -14.900 -0.249 11.489 390 HB3 HIS 59 HB1 HIS 59 -15.068 0.783 10.073 391 HD2 HIS 59 HD2 HIS 59 -16.460 -2.501 11.487 392 HE1 HIS 59 HE1 HIS 59 -17.918 -2.127 7.517 393 HE2 HIS 59 HE2 HIS 59 -18.021 -3.466 9.656 394 H LEU 60 HN LEU 60 -12.915 -2.549 8.413 395 HA LEU 60 HA LEU 60 -13.648 -1.223 5.963 396 HB2 LEU 60 HB2 LEU 60 -11.115 -0.782 6.715 397 HB3 LEU 60 HB1 LEU 60 -10.892 -2.330 5.925 398 HG LEU 60 HG LEU 60 -11.780 -1.436 3.836 399 HD11 LEU 60 HD11 LEU 60 -11.779 1.353 4.800 400 HD12 LEU 60 HD12 LEU 60 -13.136 0.351 5.315 401 HD13 LEU 60 HD13 LEU 60 -12.802 0.564 3.597 402 HD21 LEU 60 HD21 LEU 60 -9.833 0.653 4.655 403 HD22 LEU 60 HD22 LEU 60 -9.865 -0.371 3.220 404 HD23 LEU 60 HD23 LEU 60 -9.335 -1.036 4.764 405 H CYS 61 HN CYS 61 -11.938 -4.048 7.343 406 HA CYS 61 HA CYS 61 -13.042 -5.751 5.267 407 HB2 CYS 61 HB2 CYS 61 -11.910 -7.556 6.868 408 HB3 CYS 61 HB1 CYS 61 -10.977 -6.634 5.701 409 H1 ALA 62 HT1 ALA 62 31.716 -1.176 15.201 410 H2 ALA 62 HT2 ALA 62 32.665 0.250 15.067 411 H3 ALA 62 HT3 ALA 62 32.037 -0.511 13.656 412 HA ALA 62 HA ALA 62 30.603 0.944 15.757 413 HB1 ALA 62 HB1 ALA 62 29.881 1.592 13.083 414 HB2 ALA 62 HB2 ALA 62 31.640 1.616 13.216 415 HB3 ALA 62 HB3 ALA 62 30.660 2.607 14.297 416 H MET 63 HN MET 63 28.271 1.076 15.384 417 HA MET 63 HA MET 63 27.146 -1.530 15.029 418 HB2 MET 63 HB2 MET 63 25.809 1.156 15.430 419 HB3 MET 63 HB1 MET 63 24.975 -0.392 15.456 420 HG2 MET 63 HG2 MET 63 27.114 0.518 17.374 421 HG3 MET 63 HG1 MET 63 25.386 0.383 17.708 422 HE1 MET 63 HE1 MET 63 25.954 -0.876 19.797 423 HE2 MET 63 HE2 MET 63 27.670 -1.240 19.615 424 HE3 MET 63 HE3 MET 63 26.513 -2.545 19.878 425 H GLY 64 HN GLY 64 26.099 -2.373 13.316 426 HA2 GLY 64 HA2 GLY 64 26.341 -0.995 10.792 427 HA3 GLY 64 HA1 GLY 64 25.727 -2.623 11.043 428 H LYS 65 HN LYS 65 24.888 0.393 10.059 429 HA LYS 65 HA LYS 65 22.285 0.626 11.210 430 HB2 LYS 65 HB2 LYS 65 23.828 2.435 10.103 431 HB3 LYS 65 HB1 LYS 65 23.079 1.897 8.607 432 HG2 LYS 65 HG2 LYS 65 20.900 2.501 9.422 433 HG3 LYS 65 HG1 LYS 65 21.568 2.906 11.003 434 HD2 LYS 65 HD2 LYS 65 22.966 4.652 9.862 435 HD3 LYS 65 HD1 LYS 65 22.050 4.324 8.385 436 HE2 LYS 65 HE2 LYS 65 19.964 4.849 9.610 437 HE3 LYS 65 HE1 LYS 65 20.925 5.258 11.030 438 HZ1 LYS 65 HZ1 LYS 65 21.966 7.038 9.758 439 HZ2 LYS 65 HZ2 LYS 65 20.280 7.223 9.799 440 HZ3 LYS 65 HZ3 LYS 65 21.031 6.637 8.395 441 H CYS 66 HN CYS 66 23.305 0.005 7.861 442 HA CYS 66 HA CYS 66 21.841 -2.300 7.398 443 HB2 CYS 66 HB2 CYS 66 19.796 -1.047 7.722 444 HB3 CYS 66 HB1 CYS 66 20.351 0.224 6.640 445 H SER 67 HN SER 67 21.999 -2.968 5.178 446 HA SER 67 HA SER 67 23.146 -1.215 3.231 447 HB2 SER 67 HB2 SER 67 25.116 -1.782 4.698 448 HB3 SER 67 HB1 SER 67 24.895 -3.473 4.251 449 HG SER 67 HG SER 67 26.061 -1.433 2.861 450 H VAL 68 HN VAL 68 24.189 -2.997 1.466 451 HA VAL 68 HA VAL 68 21.837 -4.597 0.804 452 HB VAL 68 HB VAL 68 22.865 -4.824 -1.444 453 HG11 VAL 68 HG11 VAL 68 22.835 -2.261 -1.923 454 HG12 VAL 68 HG12 VAL 68 22.329 -2.144 -0.237 455 HG13 VAL 68 HG13 VAL 68 21.365 -3.075 -1.383 456 HG21 VAL 68 HG21 VAL 68 25.056 -4.514 -1.682 457 HG22 VAL 68 HG22 VAL 68 25.189 -3.833 -0.060 458 HG23 VAL 68 HG23 VAL 68 24.794 -2.789 -1.423 459 H LEU 69 HN LEU 69 24.914 -5.009 2.176 460 HA LEU 69 HA LEU 69 24.936 -7.857 1.435 461 HB2 LEU 69 HB2 LEU 69 27.308 -7.878 2.144 462 HB3 LEU 69 HB1 LEU 69 26.999 -6.804 0.795 463 HG LEU 69 HG LEU 69 26.987 -5.613 3.522 464 HD11 LEU 69 HD11 LEU 69 29.459 -6.557 2.096 465 HD12 LEU 69 HD12 LEU 69 28.923 -6.961 3.727 466 HD13 LEU 69 HD13 LEU 69 29.462 -5.324 3.358 467 HD21 LEU 69 HD21 LEU 69 26.591 -4.005 1.924 468 HD22 LEU 69 HD22 LEU 69 27.632 -4.785 0.733 469 HD23 LEU 69 HD23 LEU 69 28.345 -3.906 2.085 470 H LYS 70 HN LYS 70 25.314 -5.701 4.247 471 HA LYS 70 HA LYS 70 24.905 -8.052 5.879 472 HB2 LYS 70 HB2 LYS 70 25.602 -6.773 7.756 473 HB3 LYS 70 HB1 LYS 70 26.786 -6.570 6.490 474 HG2 LYS 70 HG2 LYS 70 25.957 -4.340 6.051 475 HG3 LYS 70 HG1 LYS 70 24.671 -4.556 7.241 476 HD2 LYS 70 HD2 LYS 70 27.634 -4.595 7.801 477 HD3 LYS 70 HD1 LYS 70 26.506 -3.308 8.238 478 HE2 LYS 70 HE2 LYS 70 25.429 -4.650 9.839 479 HE3 LYS 70 HE1 LYS 70 26.098 -6.138 9.175 480 HZ1 LYS 70 HZ1 LYS 70 27.630 -4.039 10.636 481 HZ2 LYS 70 HZ2 LYS 70 28.276 -5.466 9.993 482 HZ3 LYS 70 HZ3 LYS 70 27.160 -5.547 11.255 483 H LYS 71 HN LYS 71 22.888 -7.238 4.266 484 HA LYS 71 HA LYS 71 20.911 -5.729 5.698 485 HB2 LYS 71 HB2 LYS 71 19.402 -6.443 3.898 486 HB3 LYS 71 HB1 LYS 71 20.915 -5.854 3.228 487 HG2 LYS 71 HG2 LYS 71 21.662 -8.218 2.996 488 HG3 LYS 71 HG1 LYS 71 20.059 -8.732 3.509 489 HD2 LYS 71 HD2 LYS 71 19.082 -7.549 1.582 490 HD3 LYS 71 HD1 LYS 71 20.707 -7.074 1.070 491 HE2 LYS 71 HE2 LYS 71 21.327 -9.435 0.859 492 HE3 LYS 71 HE1 LYS 71 19.706 -9.910 1.363 493 HZ1 LYS 71 HZ1 LYS 71 19.465 -8.133 -0.794 494 HZ2 LYS 71 HZ2 LYS 71 19.065 -9.780 -0.729 495 HZ3 LYS 71 HZ3 LYS 71 20.613 -9.309 -1.217 496 H VAL 72 HN VAL 72 22.277 -8.738 5.896 497 HA VAL 72 HA VAL 72 21.923 -10.633 7.067 498 HB VAL 72 HB VAL 72 19.821 -9.103 8.575 499 HG11 VAL 72 HG11 VAL 72 19.769 -11.098 9.647 500 HG12 VAL 72 HG12 VAL 72 21.260 -10.527 10.400 501 HG13 VAL 72 HG13 VAL 72 21.334 -11.579 8.990 502 HG21 VAL 72 HG21 VAL 72 21.708 -7.648 8.462 503 HG22 VAL 72 HG22 VAL 72 22.806 -8.958 8.890 504 HG23 VAL 72 HG23 VAL 72 21.647 -8.357 10.077 505 H ALA 73 HN ALA 73 20.600 -10.476 4.657 506 HA ALA 73 HA ALA 73 18.896 -11.325 3.397 507 HB1 ALA 73 HB1 ALA 73 19.118 -13.208 5.696 508 HB2 ALA 73 HB2 ALA 73 19.472 -13.464 3.986 509 HB3 ALA 73 HB3 ALA 73 17.801 -13.422 4.542 510 H CYS 74 HN CYS 74 18.289 -9.224 5.384 511 HA CYS 74 HA CYS 74 16.582 -8.044 6.256 512 HB2 CYS 74 HB2 CYS 74 14.399 -9.198 4.735 513 HB3 CYS 74 HB1 CYS 74 15.022 -7.555 4.747 514 H ALA 75 HN ALA 75 17.145 -10.703 7.429 515 HA ALA 75 HA ALA 75 14.632 -11.805 8.227 516 HB1 ALA 75 HB1 ALA 75 17.366 -12.540 8.428 517 HB2 ALA 75 HB2 ALA 75 15.936 -13.518 8.754 518 HB3 ALA 75 HB3 ALA 75 16.663 -12.563 10.047 519 H ALA 76 HN ALA 76 17.157 -9.971 9.956 520 HA ALA 76 HA ALA 76 15.424 -9.574 12.233 521 HB1 ALA 76 HB1 ALA 76 17.639 -9.803 12.881 522 HB2 ALA 76 HB2 ALA 76 17.396 -8.058 12.946 523 HB3 ALA 76 HB3 ALA 76 18.232 -8.777 11.571 524 H ALA 77 HN ALA 77 14.243 -8.559 9.968 525 HA ALA 77 HA ALA 77 13.775 -5.834 10.759 526 HB1 ALA 77 HB1 ALA 77 14.105 -5.131 8.245 527 HB2 ALA 77 HB2 ALA 77 15.267 -6.456 8.255 528 HB3 ALA 77 HB3 ALA 77 15.458 -5.112 9.379 529 H ILE 78 HN ILE 78 13.275 -8.306 8.282 530 HA ILE 78 HA ILE 78 10.522 -7.379 7.915 531 HB ILE 78 HB ILE 78 12.442 -8.945 6.249 532 HG12 ILE 78 HG12 ILE 78 10.418 -6.901 5.381 533 HG13 ILE 78 HG11 ILE 78 11.921 -6.423 6.184 534 HG21 ILE 78 HG21 ILE 78 10.772 -9.724 4.739 535 HG22 ILE 78 HG22 ILE 78 9.486 -8.969 5.688 536 HG23 ILE 78 HG23 ILE 78 10.379 -10.341 6.345 537 HD11 ILE 78 HD11 ILE 78 13.142 -6.774 4.356 538 HD12 ILE 78 HD12 ILE 78 11.592 -6.744 3.511 539 HD13 ILE 78 HD13 ILE 78 12.311 -8.282 3.974 540 H ALA 79 HN ALA 79 12.310 -10.434 8.402 541 HA ALA 79 HA ALA 79 10.043 -12.030 8.823 542 HB1 ALA 79 HB1 ALA 79 12.611 -12.645 10.217 543 HB2 ALA 79 HB2 ALA 79 12.529 -12.694 8.455 544 HB3 ALA 79 HB3 ALA 79 11.476 -13.732 9.415 545 H GLY 80 HN GLY 80 11.858 -9.998 11.042 546 HA2 GLY 80 HA2 GLY 80 10.525 -11.031 13.385 547 HA3 GLY 80 HA1 GLY 80 11.630 -9.666 13.330 548 H ALA 81 HN ALA 81 10.225 -8.180 11.324 549 HA ALA 81 HA ALA 81 8.328 -6.894 12.999 550 HB1 ALA 81 HB1 ALA 81 8.625 -6.332 10.075 551 HB2 ALA 81 HB2 ALA 81 9.850 -5.830 11.240 552 HB3 ALA 81 HB3 ALA 81 8.200 -5.224 11.379 553 H VAL 82 HN VAL 82 8.135 -9.199 10.420 554 HA VAL 82 HA VAL 82 5.412 -8.895 9.769 555 HB VAL 82 HB VAL 82 7.510 -10.973 9.327 556 HG11 VAL 82 HG11 VAL 82 5.223 -11.835 7.932 557 HG12 VAL 82 HG12 VAL 82 4.754 -11.640 9.621 558 HG13 VAL 82 HG13 VAL 82 6.111 -12.682 9.200 559 HG21 VAL 82 HG21 VAL 82 6.088 -8.931 7.807 560 HG22 VAL 82 HG22 VAL 82 6.211 -10.479 6.971 561 HG23 VAL 82 HG23 VAL 82 7.669 -9.658 7.524 562 H ALA 83 HN ALA 83 7.132 -10.892 12.126 563 HA ALA 83 HA ALA 83 4.902 -12.408 12.975 564 HB1 ALA 83 HB1 ALA 83 7.671 -12.118 13.724 565 HB2 ALA 83 HB2 ALA 83 6.590 -13.498 13.930 566 HB3 ALA 83 HB3 ALA 83 6.639 -12.223 15.149 567 H ALA 84 HN ALA 84 5.968 -9.195 13.676 568 HA ALA 84 HA ALA 84 4.542 -8.926 16.141 569 HB1 ALA 84 HB1 ALA 84 4.998 -6.411 15.612 570 HB2 ALA 84 HB2 ALA 84 6.061 -7.070 14.369 571 HB3 ALA 84 HB3 ALA 84 6.325 -7.480 16.066 572 H CYS 85 HN CYS 85 3.901 -8.054 12.762 573 HA CYS 85 HA CYS 85 1.413 -6.757 13.496 574 HB2 CYS 85 HB2 CYS 85 3.001 -6.098 11.547 575 HB3 CYS 85 HB1 CYS 85 2.210 -7.401 10.669 576 H GLY 86 HN GLY 86 2.465 -9.884 12.412 577 HA2 GLY 86 HA2 GLY 86 1.037 -11.783 12.807 578 HA3 GLY 86 HA1 GLY 86 -0.348 -10.756 12.470 579 H GLY 87 HN GLY 87 2.625 -11.029 10.595 580 HA2 GLY 87 HA2 GLY 87 2.615 -12.640 8.673 581 HA3 GLY 87 HA1 GLY 87 0.992 -12.043 8.348 582 H ILE 88 HN ILE 88 2.748 -11.893 6.298 583 HA ILE 88 HA ILE 88 4.267 -9.496 6.245 584 HB ILE 88 HB ILE 88 4.403 -9.778 3.827 585 HG12 ILE 88 HG12 ILE 88 2.998 -12.303 3.607 586 HG13 ILE 88 HG11 ILE 88 1.902 -11.005 4.081 587 HG21 ILE 88 HG21 ILE 88 5.573 -11.326 5.618 588 HG22 ILE 88 HG22 ILE 88 5.791 -11.578 3.886 589 HG23 ILE 88 HG23 ILE 88 4.646 -12.574 4.785 590 HD11 ILE 88 HD11 ILE 88 3.742 -10.937 1.699 591 HD12 ILE 88 HD12 ILE 88 2.559 -9.708 2.149 592 HD13 ILE 88 HD13 ILE 88 2.019 -11.311 1.650 593 H ASP 89 HN ASP 89 3.852 -7.538 5.449 594 HA ASP 89 HA ASP 89 1.274 -6.855 4.361 595 HB2 ASP 89 HB2 ASP 89 1.011 -6.985 6.897 596 HB3 ASP 89 HB1 ASP 89 2.122 -5.625 6.996 597 H LEU 90 HN LEU 90 2.200 -4.185 5.833 598 HA LEU 90 HA LEU 90 4.580 -3.261 4.898 599 HB2 LEU 90 HB2 LEU 90 3.768 -3.788 2.615 600 HB3 LEU 90 HB1 LEU 90 2.463 -2.636 2.834 601 HG LEU 90 HG LEU 90 4.084 -0.808 3.023 602 HD11 LEU 90 HD11 LEU 90 6.047 -3.057 2.878 603 HD12 LEU 90 HD12 LEU 90 6.024 -1.651 3.948 604 HD13 LEU 90 HD13 LEU 90 6.483 -1.465 2.254 605 HD21 LEU 90 HD21 LEU 90 4.885 -0.837 0.703 606 HD22 LEU 90 HD22 LEU 90 3.204 -1.356 0.830 607 HD23 LEU 90 HD23 LEU 90 4.481 -2.550 0.597 608 HA PRO 91 HA PRO 91 1.634 0.632 5.516 609 HB2 PRO 91 HB2 PRO 91 -0.877 -0.073 6.451 610 HB3 PRO 91 HB1 PRO 91 -0.507 0.433 4.802 611 HG2 PRO 91 HG2 PRO 91 -0.847 -2.318 5.910 612 HG3 PRO 91 HG1 PRO 91 -1.359 -1.666 4.342 613 HD2 PRO 91 HD2 PRO 91 0.799 -3.238 4.576 614 HD3 PRO 91 HD1 PRO 91 0.754 -1.889 3.421 615 H CYS 92 HN CYS 92 1.777 -2.236 7.442 616 HA CYS 92 HA CYS 92 1.587 -0.590 9.847 617 HB2 CYS 92 HB2 CYS 92 1.054 -2.578 11.112 618 HB3 CYS 92 HB1 CYS 92 -0.001 -2.529 9.706 619 H VAL 93 HN VAL 93 3.524 -2.874 8.092 620 HA VAL 93 HA VAL 93 5.537 -3.216 10.052 621 HB VAL 93 HB VAL 93 5.902 -3.632 7.097 622 HG11 VAL 93 HG11 VAL 93 6.996 -4.878 9.574 623 HG12 VAL 93 HG12 VAL 93 7.859 -4.123 8.234 624 HG13 VAL 93 HG13 VAL 93 7.080 -5.690 8.013 625 HG21 VAL 93 HG21 VAL 93 3.989 -4.980 8.884 626 HG22 VAL 93 HG22 VAL 93 4.997 -6.047 7.901 627 HG23 VAL 93 HG23 VAL 93 3.989 -4.823 7.132 628 H LEU 94 HN LEU 94 4.881 -0.733 7.769 629 HA LEU 94 HA LEU 94 7.199 0.214 6.829 630 HB2 LEU 94 HB2 LEU 94 6.212 2.581 7.321 631 HB3 LEU 94 HB1 LEU 94 5.456 1.504 6.168 632 HG LEU 94 HG LEU 94 3.797 0.864 7.916 633 HD11 LEU 94 HD11 LEU 94 4.727 1.259 9.992 634 HD12 LEU 94 HD12 LEU 94 3.644 2.637 9.809 635 HD13 LEU 94 HD13 LEU 94 5.373 2.831 9.522 636 HD21 LEU 94 HD21 LEU 94 2.432 2.716 7.559 637 HD22 LEU 94 HD22 LEU 94 3.567 2.780 6.209 638 HD23 LEU 94 HD23 LEU 94 3.786 3.844 7.598 639 H ALA 95 HN ALA 95 6.366 0.465 10.268 640 HA ALA 95 HA ALA 95 8.520 2.333 10.737 641 HB1 ALA 95 HB1 ALA 95 7.838 1.583 13.226 642 HB2 ALA 95 HB2 ALA 95 6.352 1.187 12.364 643 HB3 ALA 95 HB3 ALA 95 6.991 2.829 12.310 644 H ALA 96 HN ALA 96 7.849 -0.999 11.807 645 HA ALA 96 HA ALA 96 10.449 -1.335 12.926 646 HB1 ALA 96 HB1 ALA 96 8.171 -2.610 13.358 647 HB2 ALA 96 HB2 ALA 96 9.733 -3.387 13.621 648 HB3 ALA 96 HB3 ALA 96 8.829 -3.698 12.139 649 H LEU 97 HN LEU 97 9.243 -1.520 9.748 650 HA LEU 97 HA LEU 97 10.979 -3.462 8.643 651 HB2 LEU 97 HB2 LEU 97 8.884 -2.680 7.604 652 HB3 LEU 97 HB1 LEU 97 9.618 -1.114 7.331 653 HG LEU 97 HG LEU 97 11.138 -2.006 5.720 654 HD11 LEU 97 HD11 LEU 97 10.107 -4.686 6.614 655 HD12 LEU 97 HD12 LEU 97 11.765 -4.083 6.669 656 HD13 LEU 97 HD13 LEU 97 11.005 -4.442 5.117 657 HD21 LEU 97 HD21 LEU 97 9.355 -3.297 4.247 658 HD22 LEU 97 HD22 LEU 97 9.254 -1.562 4.540 659 HD23 LEU 97 HD23 LEU 97 8.258 -2.672 5.480 660 H LYS 98 HN LYS 98 11.229 0.023 9.083 661 HA LYS 98 HA LYS 98 13.469 0.540 7.518 662 HB2 LYS 98 HB2 LYS 98 12.301 1.838 9.940 663 HB3 LYS 98 HB1 LYS 98 13.907 2.322 9.416 664 HG2 LYS 98 HG2 LYS 98 12.961 2.835 7.180 665 HG3 LYS 98 HG1 LYS 98 11.356 2.485 7.831 666 HD2 LYS 98 HD2 LYS 98 11.482 4.292 9.363 667 HD3 LYS 98 HD1 LYS 98 13.210 4.506 9.076 668 HE2 LYS 98 HE2 LYS 98 10.994 5.014 7.092 669 HE3 LYS 98 HE1 LYS 98 11.913 6.248 7.959 670 HZ1 LYS 98 HZ1 LYS 98 13.617 6.076 6.541 671 HZ2 LYS 98 HZ2 LYS 98 12.549 5.259 5.512 672 HZ3 LYS 98 HZ3 LYS 98 13.577 4.385 6.530 673 H ALA 99 HN ALA 99 13.331 -0.249 10.984 674 HA ALA 99 HA ALA 99 14.790 -1.256 12.404 675 HB1 ALA 99 HB1 ALA 99 17.010 -2.144 11.156 676 HB2 ALA 99 HB2 ALA 99 15.882 -2.098 9.799 677 HB3 ALA 99 HB3 ALA 99 15.496 -3.048 11.232 678 H ALA 100 HN ALA 100 16.581 0.497 9.910 679 HA ALA 100 HA ALA 100 17.443 2.513 11.739 680 HB1 ALA 100 HB1 ALA 100 18.981 0.461 12.101 681 HB2 ALA 100 HB2 ALA 100 19.708 2.058 11.924 682 HB3 ALA 100 HB3 ALA 100 19.697 0.936 10.563 683 H GLU 101 HN GLU 101 17.433 1.007 8.610 684 HA GLU 101 HA GLU 101 17.726 3.633 7.347 685 HB2 GLU 101 HB2 GLU 101 19.960 2.656 7.260 686 HB3 GLU 101 HB1 GLU 101 19.316 1.170 6.589 687 HG2 GLU 101 HG2 GLU 101 18.587 2.489 4.591 688 HG3 GLU 101 HG1 GLU 101 19.481 3.856 5.259 689 H GLY 102 HN GLY 102 17.786 0.461 5.821 690 HA2 GLY 102 HA2 GLY 102 14.968 0.730 5.048 691 HA3 GLY 102 HA1 GLY 102 16.180 0.578 3.780 692 H CYS 103 HN CYS 103 17.405 -1.370 3.636 693 HA CYS 103 HA CYS 103 17.640 -3.633 3.566 694 HB2 CYS 103 HB2 CYS 103 16.701 -3.259 6.406 695 HB3 CYS 103 HB1 CYS 103 17.093 -4.848 5.767 696 H ALA 104 HN ALA 104 15.023 -2.401 2.796 697 HA ALA 104 HA ALA 104 13.311 -4.779 3.127 698 HB1 ALA 104 HB1 ALA 104 11.399 -3.322 2.697 699 HB2 ALA 104 HB2 ALA 104 12.482 -1.944 2.504 700 HB3 ALA 104 HB3 ALA 104 12.338 -2.740 4.072 701 H SER 105 HN SER 105 15.483 -3.942 1.125 702 HA SER 105 HA SER 105 14.369 -3.475 -1.382 703 HB2 SER 105 HB2 SER 105 16.552 -4.659 -2.162 704 HB3 SER 105 HB1 SER 105 16.683 -3.163 -1.234 705 HG SER 105 HG SER 105 17.771 -4.255 0.191 706 H CYS 106 HN CYS 106 15.312 -6.550 0.106 707 HA CYS 106 HA CYS 106 14.568 -8.330 -1.900 708 HB2 CYS 106 HB2 CYS 106 14.269 -9.973 -0.016 709 HB3 CYS 106 HB1 CYS 106 15.787 -9.078 0.064 710 H PHE 107 HN PHE 107 12.676 -6.922 0.656 711 HA PHE 107 HA PHE 107 10.282 -8.355 0.307 712 HB2 PHE 107 HB2 PHE 107 11.095 -7.176 2.328 713 HB3 PHE 107 HB1 PHE 107 10.809 -5.648 1.525 714 HD1 PHE 107 HD2 PHE 107 8.054 -7.379 0.467 715 HD2 PHE 107 HD1 PHE 107 9.806 -5.891 4.047 716 HE1 PHE 107 HE2 PHE 107 5.827 -7.249 1.512 717 HE2 PHE 107 HE1 PHE 107 7.615 -5.774 5.096 718 HZ PHE 107 HZ PHE 107 5.604 -6.434 3.827 719 H CYS 108 HN CYS 108 10.653 -4.859 -0.139 720 HA CYS 108 HA CYS 108 8.376 -4.801 -1.863 721 HB2 CYS 108 HB2 CYS 108 10.254 -2.565 -1.139 722 HB3 CYS 108 HB1 CYS 108 8.626 -2.410 -1.796 723 H GLU 109 HN GLU 109 10.603 -6.240 -3.100 724 HA GLU 109 HA GLU 109 11.918 -4.628 -5.011 725 HB2 GLU 109 HB2 GLU 109 11.308 -7.525 -4.719 726 HB3 GLU 109 HB1 GLU 109 11.653 -6.967 -6.351 727 HG2 GLU 109 HG2 GLU 109 13.449 -6.369 -4.043 728 HG3 GLU 109 HG1 GLU 109 13.588 -7.850 -4.993 729 H ASP 110 HN ASP 110 9.105 -6.753 -5.413 730 HA ASP 110 HA ASP 110 8.245 -5.156 -7.713 731 HB2 ASP 110 HB2 ASP 110 8.370 -7.783 -7.638 732 HB3 ASP 110 HB1 ASP 110 6.844 -7.643 -6.771 733 H HIS 111 HN HIS 111 7.996 -5.138 -4.489 734 HA HIS 111 HA HIS 111 5.181 -4.229 -4.462 735 HB2 HIS 111 HB2 HIS 111 6.920 -5.018 -2.108 736 HB3 HIS 111 HB1 HIS 111 5.241 -4.508 -2.019 737 HD2 HIS 111 HD2 HIS 111 6.821 -7.638 -1.485 738 HE1 HIS 111 HE1 HIS 111 3.569 -8.714 -3.997 739 HE2 HIS 111 HE2 HIS 111 5.233 -9.529 -2.279 740 H CYS 112 HN CYS 112 7.182 -2.577 -5.529 741 HA CYS 112 HA CYS 112 7.740 -0.632 -3.413 742 HB2 CYS 112 HB2 CYS 112 9.425 -1.507 -5.255 743 HB3 CYS 112 HB1 CYS 112 8.649 -0.276 -6.245 744 H HIS 113 HN HIS 113 5.099 -0.767 -3.881 745 HA HIS 113 HA HIS 113 4.534 1.617 -5.483 746 HB2 HIS 113 HB2 HIS 113 2.309 0.659 -5.978 747 HB3 HIS 113 HB1 HIS 113 3.619 -0.335 -6.600 748 HD2 HIS 113 HD2 HIS 113 0.414 -0.857 -4.819 749 HE1 HIS 113 HE1 HIS 113 2.884 -4.046 -3.496 750 HE2 HIS 113 HE2 HIS 113 0.554 -3.075 -3.489 751 H GLY 114 HN GLY 114 3.823 -0.161 -2.535 752 HA2 GLY 114 HA2 GLY 114 1.881 1.797 -1.642 753 HA3 GLY 114 HA1 GLY 114 2.425 0.389 -0.747 754 H VAL 115 HN VAL 115 2.770 1.458 1.185 755 HA VAL 115 HA VAL 115 4.309 3.874 1.359 756 HB VAL 115 HB VAL 115 2.486 3.242 2.949 757 HG11 VAL 115 HG11 VAL 115 3.103 1.778 4.885 758 HG12 VAL 115 HG12 VAL 115 4.504 1.249 3.953 759 HG13 VAL 115 HG13 VAL 115 2.879 0.927 3.351 760 HG21 VAL 115 HG21 VAL 115 5.039 3.710 4.450 761 HG22 VAL 115 HG22 VAL 115 3.429 4.347 4.785 762 HG23 VAL 115 HG23 VAL 115 4.340 4.932 3.392 763 H CYS 116 HN CYS 116 5.708 1.873 -0.010 764 HA CYS 116 HA CYS 116 7.988 1.450 1.801 765 HB2 CYS 116 HB2 CYS 116 6.661 -0.600 0.793 766 HB3 CYS 116 HB1 CYS 116 7.608 -0.231 -0.645 767 H LYS 117 HN LYS 117 6.747 2.610 -1.201 768 HA LYS 117 HA LYS 117 9.407 3.246 -2.238 769 HB2 LYS 117 HB2 LYS 117 8.168 4.139 -4.209 770 HB3 LYS 117 HB1 LYS 117 7.858 2.435 -3.910 771 HG2 LYS 117 HG2 LYS 117 5.677 2.826 -3.833 772 HG3 LYS 117 HG1 LYS 117 5.907 3.974 -2.512 773 HD2 LYS 117 HD2 LYS 117 6.291 4.691 -5.420 774 HD3 LYS 117 HD1 LYS 117 4.757 4.892 -4.564 775 HE2 LYS 117 HE2 LYS 117 5.910 6.327 -2.914 776 HE3 LYS 117 HE1 LYS 117 7.396 6.167 -3.845 777 HZ1 LYS 117 HZ1 LYS 117 5.811 7.073 -5.743 778 HZ2 LYS 117 HZ2 LYS 117 6.643 8.108 -4.687 779 HZ3 LYS 117 HZ3 LYS 117 5.004 7.745 -4.408 780 H ASP 118 HN ASP 118 7.080 4.550 -0.241 781 HA ASP 118 HA ASP 118 6.848 7.209 -0.857 782 HB2 ASP 118 HB2 ASP 118 5.640 6.123 0.969 783 HB3 ASP 118 HB1 ASP 118 7.124 5.966 1.895 784 H LEU 119 HN LEU 119 9.413 5.739 1.129 785 HA LEU 119 HA LEU 119 11.028 8.153 0.652 786 HB2 LEU 119 HB2 LEU 119 11.212 6.061 2.823 787 HB3 LEU 119 HB1 LEU 119 12.448 7.274 2.551 788 HG LEU 119 HG LEU 119 9.583 7.810 3.349 789 HD11 LEU 119 HD11 LEU 119 10.438 7.193 5.341 790 HD12 LEU 119 HD12 LEU 119 11.093 8.830 5.316 791 HD13 LEU 119 HD13 LEU 119 12.105 7.471 4.835 792 HD21 LEU 119 HD21 LEU 119 10.208 10.130 3.498 793 HD22 LEU 119 HD22 LEU 119 10.578 9.549 1.874 794 HD23 LEU 119 HD23 LEU 119 11.870 9.752 3.056 795 H HIS 120 HN HIS 120 12.612 5.314 1.751 796 HA HIS 120 HA HIS 120 13.204 4.333 -0.885 797 HB2 HIS 120 HB2 HIS 120 14.852 6.208 -0.542 798 HB3 HIS 120 HB1 HIS 120 15.507 5.301 0.819 799 HD2 HIS 120 HD2 HIS 120 16.057 5.618 -2.907 800 HE1 HIS 120 HE1 HIS 120 17.676 1.849 -1.817 801 HE2 HIS 120 HE2 HIS 120 17.322 3.491 -3.696 802 H LEU 121 HN LEU 121 12.365 2.414 -0.267 803 HA LEU 121 HA LEU 121 13.840 0.958 1.798 804 HB2 LEU 121 HB2 LEU 121 10.925 1.144 1.277 805 HB3 LEU 121 HB1 LEU 121 11.544 -0.432 1.729 806 HG LEU 121 HG LEU 121 12.437 0.524 3.821 807 HD11 LEU 121 HD11 LEU 121 12.711 2.848 2.930 808 HD12 LEU 121 HD12 LEU 121 11.968 2.737 4.527 809 HD13 LEU 121 HD13 LEU 121 10.967 3.044 3.107 810 HD21 LEU 121 HD21 LEU 121 9.819 1.449 4.311 811 HD22 LEU 121 HD22 LEU 121 10.502 -0.141 4.656 812 HD23 LEU 121 HD23 LEU 121 9.704 0.159 3.113 813 H CYS 122 HN CYS 122 12.497 1.006 -1.393 814 HA CYS 122 HA CYS 122 13.657 -1.649 -1.907 815 HB2 CYS 122 HB2 CYS 122 12.005 -1.256 -4.041 816 HB3 CYS 122 HB1 CYS 122 11.570 -2.155 -2.597 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -30.585 1.802 1.275 2 H2 ALA 1 HT2 ALA 1 -30.020 0.463 0.357 3 H3 ALA 1 HT3 ALA 1 -29.864 2.058 -0.261 4 HA ALA 1 HA ALA 1 -28.473 2.557 1.710 5 HB1 ALA 1 HB1 ALA 1 -27.438 0.677 2.836 6 HB2 ALA 1 HB2 ALA 1 -28.374 -0.454 1.861 7 HB3 ALA 1 HB3 ALA 1 -29.191 0.593 3.020 8 H MET 2 HN MET 2 -26.043 1.883 1.587 9 HA MET 2 HA MET 2 -25.314 1.991 -1.205 10 HB2 MET 2 HB2 MET 2 -23.586 1.958 1.280 11 HB3 MET 2 HB1 MET 2 -23.000 2.233 -0.355 12 HG2 MET 2 HG2 MET 2 -24.442 4.241 -0.481 13 HG3 MET 2 HG1 MET 2 -24.878 3.989 1.209 14 HE1 MET 2 HE1 MET 2 -21.940 2.836 2.202 15 HE2 MET 2 HE2 MET 2 -22.979 3.885 3.168 16 HE3 MET 2 HE3 MET 2 -21.292 4.323 2.897 17 H GLY 3 HN GLY 3 -23.165 0.687 -1.703 18 HA2 GLY 3 HA2 GLY 3 -23.916 -2.125 -1.386 19 HA3 GLY 3 HA1 GLY 3 -22.794 -1.477 -2.575 20 H LYS 4 HN LYS 4 -23.198 -2.227 0.842 21 HA LYS 4 HA LYS 4 -20.413 -1.870 1.465 22 HB2 LYS 4 HB2 LYS 4 -22.867 -2.304 2.892 23 HB3 LYS 4 HB1 LYS 4 -21.665 -3.461 3.440 24 HG2 LYS 4 HG2 LYS 4 -21.245 -0.481 3.357 25 HG3 LYS 4 HG1 LYS 4 -21.770 -1.377 4.780 26 HD2 LYS 4 HD2 LYS 4 -19.596 -2.796 4.247 27 HD3 LYS 4 HD1 LYS 4 -19.109 -1.297 3.451 28 HE2 LYS 4 HE2 LYS 4 -19.905 -1.658 6.344 29 HE3 LYS 4 HE1 LYS 4 -18.306 -1.251 5.718 30 HZ1 LYS 4 HZ1 LYS 4 -19.056 0.812 6.288 31 HZ2 LYS 4 HZ2 LYS 4 -20.684 0.444 5.976 32 HZ3 LYS 4 HZ3 LYS 4 -19.625 0.748 4.695 33 H CYS 5 HN CYS 5 -20.298 -3.509 -0.612 34 HA CYS 5 HA CYS 5 -19.510 -5.497 -1.402 35 HB2 CYS 5 HB2 CYS 5 -18.687 -6.049 1.454 36 HB3 CYS 5 HB1 CYS 5 -17.979 -6.721 -0.009 37 H SER 6 HN SER 6 -22.226 -5.559 -0.887 38 HA SER 6 HA SER 6 -22.732 -8.047 0.553 39 HB2 SER 6 HB2 SER 6 -24.749 -6.164 -0.677 40 HB3 SER 6 HB1 SER 6 -25.050 -7.423 0.521 41 HG SER 6 HG SER 6 -23.473 -6.152 1.853 42 H VAL 7 HN VAL 7 -22.945 -9.902 -0.419 43 HA VAL 7 HA VAL 7 -23.060 -11.525 -1.994 44 HB VAL 7 HB VAL 7 -25.332 -9.863 -3.077 45 HG11 VAL 7 HG11 VAL 7 -24.997 -12.865 -3.069 46 HG12 VAL 7 HG12 VAL 7 -24.578 -11.839 -4.442 47 HG13 VAL 7 HG13 VAL 7 -26.248 -11.924 -3.881 48 HG21 VAL 7 HG21 VAL 7 -24.981 -10.969 -0.488 49 HG22 VAL 7 HG22 VAL 7 -26.197 -11.934 -1.327 50 HG23 VAL 7 HG23 VAL 7 -26.414 -10.192 -1.160 51 H LEU 8 HN LEU 8 -24.199 -9.043 -4.268 52 HA LEU 8 HA LEU 8 -22.526 -9.999 -6.335 53 HB2 LEU 8 HB2 LEU 8 -24.705 -8.703 -6.560 54 HB3 LEU 8 HB1 LEU 8 -23.767 -7.258 -6.230 55 HG LEU 8 HG LEU 8 -22.433 -7.612 -8.227 56 HD11 LEU 8 HD11 LEU 8 -22.795 -10.200 -8.001 57 HD12 LEU 8 HD12 LEU 8 -22.517 -9.463 -9.576 58 HD13 LEU 8 HD13 LEU 8 -24.153 -9.892 -9.083 59 HD21 LEU 8 HD21 LEU 8 -23.977 -6.741 -9.628 60 HD22 LEU 8 HD22 LEU 8 -24.980 -6.729 -8.175 61 HD23 LEU 8 HD23 LEU 8 -25.128 -8.046 -9.341 62 H LYS 9 HN LYS 9 -22.304 -7.081 -4.283 63 HA LYS 9 HA LYS 9 -19.815 -6.232 -5.370 64 HB2 LYS 9 HB2 LYS 9 -21.796 -5.255 -3.581 65 HB3 LYS 9 HB1 LYS 9 -20.252 -5.224 -2.735 66 HG2 LYS 9 HG2 LYS 9 -20.727 -3.125 -3.856 67 HG3 LYS 9 HG1 LYS 9 -19.284 -3.901 -4.508 68 HD2 LYS 9 HD2 LYS 9 -20.164 -3.885 -6.547 69 HD3 LYS 9 HD1 LYS 9 -21.566 -4.785 -5.973 70 HE2 LYS 9 HE2 LYS 9 -22.269 -2.721 -7.005 71 HE3 LYS 9 HE1 LYS 9 -22.627 -2.686 -5.282 72 HZ1 LYS 9 HZ1 LYS 9 -20.256 -1.509 -5.273 73 HZ2 LYS 9 HZ2 LYS 9 -21.699 -0.653 -5.505 74 HZ3 LYS 9 HZ3 LYS 9 -20.754 -1.085 -6.837 75 H LYS 10 HN LYS 10 -20.325 -8.970 -3.864 76 HA LYS 10 HA LYS 10 -18.129 -8.834 -1.927 77 HB2 LYS 10 HB2 LYS 10 -20.567 -10.214 -1.962 78 HB3 LYS 10 HB1 LYS 10 -19.356 -11.450 -2.269 79 HG2 LYS 10 HG2 LYS 10 -19.331 -9.549 0.070 80 HG3 LYS 10 HG1 LYS 10 -19.910 -11.214 0.116 81 HD2 LYS 10 HD2 LYS 10 -17.579 -11.854 -0.746 82 HD3 LYS 10 HD1 LYS 10 -17.108 -10.214 -0.294 83 HE2 LYS 10 HE2 LYS 10 -18.229 -12.351 1.516 84 HE3 LYS 10 HE1 LYS 10 -16.576 -11.743 1.500 85 HZ1 LYS 10 HZ1 LYS 10 -17.615 -9.501 2.040 86 HZ2 LYS 10 HZ2 LYS 10 -17.584 -10.664 3.269 87 HZ3 LYS 10 HZ3 LYS 10 -19.025 -10.367 2.426 88 H VAL 11 HN VAL 11 -18.860 -9.806 -5.126 89 HA VAL 11 HA VAL 11 -16.301 -11.269 -5.288 90 HB VAL 11 HB VAL 11 -18.616 -11.657 -7.185 91 HG11 VAL 11 HG11 VAL 11 -15.950 -12.927 -6.812 92 HG12 VAL 11 HG12 VAL 11 -16.829 -12.537 -8.291 93 HG13 VAL 11 HG13 VAL 11 -17.295 -13.943 -7.338 94 HG21 VAL 11 HG21 VAL 11 -18.988 -13.820 -5.934 95 HG22 VAL 11 HG22 VAL 11 -19.499 -12.346 -5.108 96 HG23 VAL 11 HG23 VAL 11 -17.994 -13.140 -4.646 97 H ALA 12 HN ALA 12 -18.538 -9.115 -7.007 98 HA ALA 12 HA ALA 12 -16.660 -8.554 -9.118 99 HB1 ALA 12 HB1 ALA 12 -18.606 -8.138 -10.114 100 HB2 ALA 12 HB2 ALA 12 -18.638 -6.614 -9.227 101 HB3 ALA 12 HB3 ALA 12 -19.453 -8.033 -8.571 102 H CYS 13 HN CYS 13 -16.178 -7.791 -6.155 103 HA CYS 13 HA CYS 13 -15.960 -4.911 -6.209 104 HB2 CYS 13 HB2 CYS 13 -14.468 -5.611 -4.076 105 HB3 CYS 13 HB1 CYS 13 -16.232 -5.513 -4.023 106 H ALA 14 HN ALA 14 -14.058 -7.536 -7.239 107 HA ALA 14 HA ALA 14 -11.529 -6.205 -6.970 108 HB1 ALA 14 HB1 ALA 14 -12.244 -8.728 -8.462 109 HB2 ALA 14 HB2 ALA 14 -11.628 -8.633 -6.810 110 HB3 ALA 14 HB3 ALA 14 -10.608 -8.138 -8.161 111 H ALA 15 HN ALA 15 -13.776 -5.050 -8.632 112 HA ALA 15 HA ALA 15 -12.354 -4.795 -11.201 113 HB1 ALA 15 HB1 ALA 15 -15.145 -5.105 -10.555 114 HB2 ALA 15 HB2 ALA 15 -14.352 -5.133 -12.132 115 HB3 ALA 15 HB3 ALA 15 -14.879 -3.599 -11.436 116 H ALA 16 HN ALA 16 -14.021 -3.019 -8.635 117 HA ALA 16 HA ALA 16 -13.302 -0.444 -9.684 118 HB1 ALA 16 HB1 ALA 16 -14.238 -1.005 -6.883 119 HB2 ALA 16 HB2 ALA 16 -15.337 -0.947 -8.265 120 HB3 ALA 16 HB3 ALA 16 -14.400 0.483 -7.820 121 H ILE 17 HN ILE 17 -12.117 -2.557 -7.109 122 HA ILE 17 HA ILE 17 -10.163 -0.705 -6.161 123 HB ILE 17 HB ILE 17 -11.088 -2.552 -4.803 124 HG12 ILE 17 HG12 ILE 17 -8.916 -3.149 -3.715 125 HG13 ILE 17 HG11 ILE 17 -8.091 -2.496 -5.128 126 HG21 ILE 17 HG21 ILE 17 -11.140 -4.638 -5.503 127 HG22 ILE 17 HG22 ILE 17 -9.371 -4.676 -5.450 128 HG23 ILE 17 HG23 ILE 17 -10.195 -4.183 -6.929 129 HD11 ILE 17 HD11 ILE 17 -8.880 -1.143 -2.812 130 HD12 ILE 17 HD12 ILE 17 -9.929 -0.557 -4.103 131 HD13 ILE 17 HD13 ILE 17 -8.175 -0.454 -4.274 132 H ALA 18 HN ALA 18 -10.300 -3.198 -8.505 133 HA ALA 18 HA ALA 18 -7.600 -3.686 -9.028 134 HB1 ALA 18 HB1 ALA 18 -8.248 -4.573 -11.129 135 HB2 ALA 18 HB2 ALA 18 -9.727 -3.617 -11.152 136 HB3 ALA 18 HB3 ALA 18 -9.549 -4.936 -9.996 137 H GLY 19 HN GLY 19 -9.569 -0.944 -9.887 138 HA2 GLY 19 HA2 GLY 19 -7.745 0.069 -11.876 139 HA3 GLY 19 HA1 GLY 19 -9.127 0.920 -11.196 140 H ALA 20 HN ALA 20 -8.218 0.412 -8.441 141 HA ALA 20 HA ALA 20 -6.589 2.727 -8.127 142 HB1 ALA 20 HB1 ALA 20 -8.393 1.593 -6.531 143 HB2 ALA 20 HB2 ALA 20 -7.096 2.612 -5.912 144 HB3 ALA 20 HB3 ALA 20 -6.938 0.857 -5.859 145 H VAL 21 HN VAL 21 -6.056 -0.686 -8.258 146 HA VAL 21 HA VAL 21 -3.506 -0.814 -7.083 147 HB VAL 21 HB VAL 21 -4.836 -2.580 -9.151 148 HG11 VAL 21 HG11 VAL 21 -2.865 -3.824 -7.426 149 HG12 VAL 21 HG12 VAL 21 -2.180 -2.587 -8.477 150 HG13 VAL 21 HG13 VAL 21 -3.080 -3.933 -9.168 151 HG21 VAL 21 HG21 VAL 21 -4.522 -3.328 -6.286 152 HG22 VAL 21 HG22 VAL 21 -5.762 -3.802 -7.450 153 HG23 VAL 21 HG23 VAL 21 -5.796 -2.190 -6.728 154 H ALA 22 HN ALA 22 -4.588 -0.576 -10.462 155 HA ALA 22 HA ALA 22 -1.998 -0.469 -11.597 156 HB1 ALA 22 HB1 ALA 22 -3.503 0.724 -13.484 157 HB2 ALA 22 HB2 ALA 22 -4.767 -0.066 -12.540 158 HB3 ALA 22 HB3 ALA 22 -3.457 -1.022 -13.235 159 H ALA 23 HN ALA 23 -4.194 1.974 -10.371 160 HA ALA 23 HA ALA 23 -2.918 4.239 -11.454 161 HB1 ALA 23 HB1 ALA 23 -4.349 5.506 -10.164 162 HB2 ALA 23 HB2 ALA 23 -4.340 4.350 -8.832 163 HB3 ALA 23 HB3 ALA 23 -5.240 3.989 -10.307 164 H CYS 24 HN CYS 24 -2.342 2.385 -8.509 165 HA CYS 24 HA CYS 24 -0.390 4.330 -7.574 166 HB2 CYS 24 HB2 CYS 24 -2.020 2.906 -6.109 167 HB3 CYS 24 HB1 CYS 24 -0.799 1.654 -6.296 168 H GLY 25 HN GLY 25 -0.475 1.241 -9.199 169 HA2 GLY 25 HA2 GLY 25 1.342 0.498 -10.544 170 HA3 GLY 25 HA1 GLY 25 2.434 1.437 -9.535 171 H GLY 26 HN GLY 26 -0.058 -0.848 -8.505 172 HA2 GLY 26 HA2 GLY 26 1.095 -3.200 -8.165 173 HA3 GLY 26 HA1 GLY 26 1.982 -2.267 -6.966 174 H ILE 27 HN ILE 27 0.435 -4.474 -6.256 175 HA ILE 27 HA ILE 27 -1.923 -3.221 -5.044 176 HB ILE 27 HB ILE 27 -2.503 -5.097 -6.437 177 HG12 ILE 27 HG12 ILE 27 -3.434 -4.711 -3.958 178 HG13 ILE 27 HG11 ILE 27 -4.046 -5.980 -5.011 179 HG21 ILE 27 HG21 ILE 27 -1.722 -7.427 -5.626 180 HG22 ILE 27 HG22 ILE 27 -0.399 -6.536 -4.877 181 HG23 ILE 27 HG23 ILE 27 -0.643 -6.448 -6.621 182 HD11 ILE 27 HD11 ILE 27 -3.531 -6.600 -2.597 183 HD12 ILE 27 HD12 ILE 27 -1.827 -6.473 -3.045 184 HD13 ILE 27 HD13 ILE 27 -2.868 -7.646 -3.854 185 H ASP 28 HN ASP 28 -2.207 -3.127 -2.932 186 HA ASP 28 HA ASP 28 -0.798 -4.736 -1.040 187 HB2 ASP 28 HB2 ASP 28 0.851 -2.867 -1.701 188 HB3 ASP 28 HB1 ASP 28 -0.239 -1.778 -0.849 189 H LEU 29 HN LEU 29 -1.640 -1.455 -0.232 190 HA LEU 29 HA LEU 29 -4.378 -1.695 0.156 191 HB2 LEU 29 HB2 LEU 29 -3.890 -3.428 1.780 192 HB3 LEU 29 HB1 LEU 29 -2.796 -2.364 2.639 193 HG LEU 29 HG LEU 29 -4.657 -0.931 3.303 194 HD11 LEU 29 HD11 LEU 29 -6.359 -0.915 1.809 195 HD12 LEU 29 HD12 LEU 29 -6.983 -2.180 2.871 196 HD13 LEU 29 HD13 LEU 29 -6.140 -2.615 1.379 197 HD21 LEU 29 HD21 LEU 29 -5.901 -3.395 4.113 198 HD22 LEU 29 HD22 LEU 29 -4.979 -2.233 5.069 199 HD23 LEU 29 HD23 LEU 29 -4.143 -3.519 4.195 200 HA PRO 30 HA PRO 30 -2.444 1.949 3.064 201 HB2 PRO 30 HB2 PRO 30 0.001 2.049 1.350 202 HB3 PRO 30 HB1 PRO 30 -0.209 2.526 3.036 203 HG2 PRO 30 HG2 PRO 30 0.926 0.196 2.370 204 HG3 PRO 30 HG1 PRO 30 -0.092 0.362 3.810 205 HD2 PRO 30 HD2 PRO 30 -0.641 -1.033 1.277 206 HD3 PRO 30 HD1 PRO 30 -1.375 -1.261 2.872 207 H CYS 31 HN CYS 31 -1.040 2.110 -0.220 208 HA CYS 31 HA CYS 31 -2.286 4.644 -0.617 209 HB2 CYS 31 HB2 CYS 31 -1.084 4.792 -2.650 210 HB3 CYS 31 HB1 CYS 31 -0.014 3.976 -1.517 211 H VAL 32 HN VAL 32 -2.902 1.382 -1.649 212 HA VAL 32 HA VAL 32 -4.664 1.887 -3.751 213 HB VAL 32 HB VAL 32 -4.942 -0.481 -1.923 214 HG11 VAL 32 HG11 VAL 32 -6.051 0.237 -4.351 215 HG12 VAL 32 HG12 VAL 32 -6.081 -1.359 -3.605 216 HG13 VAL 32 HG13 VAL 32 -4.816 -0.944 -4.760 217 HG21 VAL 32 HG21 VAL 32 -2.484 0.350 -2.932 218 HG22 VAL 32 HG22 VAL 32 -3.026 -0.904 -4.045 219 HG23 VAL 32 HG23 VAL 32 -2.889 -1.252 -2.322 220 H LEU 33 HN LEU 33 -5.106 1.861 -0.286 221 HA LEU 33 HA LEU 33 -7.918 1.703 -0.214 222 HB2 LEU 33 HB2 LEU 33 -6.486 1.329 1.747 223 HB3 LEU 33 HB1 LEU 33 -6.028 3.024 1.734 224 HG LEU 33 HG LEU 33 -8.526 3.524 2.027 225 HD11 LEU 33 HD11 LEU 33 -8.713 0.774 1.716 226 HD12 LEU 33 HD12 LEU 33 -9.989 1.879 2.225 227 HD13 LEU 33 HD13 LEU 33 -8.997 1.060 3.430 228 HD21 LEU 33 HD21 LEU 33 -6.475 2.918 3.882 229 HD22 LEU 33 HD22 LEU 33 -7.995 2.292 4.526 230 HD23 LEU 33 HD23 LEU 33 -7.858 3.993 4.081 231 H ALA 34 HN ALA 34 -5.696 4.467 -0.217 232 HA ALA 34 HA ALA 34 -7.460 6.546 0.166 233 HB1 ALA 34 HB1 ALA 34 -5.775 7.861 -1.285 234 HB2 ALA 34 HB2 ALA 34 -4.867 6.347 -1.296 235 HB3 ALA 34 HB3 ALA 34 -5.237 7.144 0.236 236 H ALA 35 HN ALA 35 -6.617 5.031 -2.943 237 HA ALA 35 HA ALA 35 -8.105 6.848 -4.531 238 HB1 ALA 35 HB1 ALA 35 -7.507 4.018 -5.331 239 HB2 ALA 35 HB2 ALA 35 -6.266 5.271 -5.303 240 HB3 ALA 35 HB3 ALA 35 -7.669 5.441 -6.356 241 H LEU 36 HN LEU 36 -9.052 4.191 -2.595 242 HA LEU 36 HA LEU 36 -11.649 3.940 -3.938 243 HB2 LEU 36 HB2 LEU 36 -10.520 1.851 -3.481 244 HB3 LEU 36 HB1 LEU 36 -10.263 2.295 -1.809 245 HG LEU 36 HG LEU 36 -13.080 2.030 -2.777 246 HD11 LEU 36 HD11 LEU 36 -12.947 -0.412 -2.196 247 HD12 LEU 36 HD12 LEU 36 -11.189 -0.260 -2.248 248 HD13 LEU 36 HD13 LEU 36 -12.145 0.045 -3.701 249 HD21 LEU 36 HD21 LEU 36 -13.421 1.212 -0.490 250 HD22 LEU 36 HD22 LEU 36 -12.627 2.786 -0.491 251 HD23 LEU 36 HD23 LEU 36 -11.686 1.327 -0.185 252 H LYS 37 HN LYS 37 -10.116 5.234 -1.149 253 HA LYS 37 HA LYS 37 -12.419 5.420 0.500 254 HB2 LYS 37 HB2 LYS 37 -9.617 6.371 0.637 255 HB3 LYS 37 HB1 LYS 37 -10.800 7.193 1.647 256 HG2 LYS 37 HG2 LYS 37 -10.537 4.201 1.644 257 HG3 LYS 37 HG1 LYS 37 -9.517 5.223 2.657 258 HD2 LYS 37 HD2 LYS 37 -12.534 5.297 2.684 259 HD3 LYS 37 HD1 LYS 37 -11.562 4.335 3.798 260 HE2 LYS 37 HE2 LYS 37 -10.416 6.459 4.488 261 HE3 LYS 37 HE1 LYS 37 -11.587 7.338 3.508 262 HZ1 LYS 37 HZ1 LYS 37 -12.142 5.678 5.901 263 HZ2 LYS 37 HZ2 LYS 37 -13.359 6.280 4.895 264 HZ3 LYS 37 HZ3 LYS 37 -12.349 7.350 5.746 265 H ALA 38 HN ALA 38 -14.041 6.484 -0.285 266 HA ALA 38 HA ALA 38 -13.762 9.383 -0.692 267 HB1 ALA 38 HB1 ALA 38 -14.267 8.539 -2.884 268 HB2 ALA 38 HB2 ALA 38 -15.770 9.193 -2.229 269 HB3 ALA 38 HB3 ALA 38 -15.500 7.450 -2.245 270 H ALA 39 HN ALA 39 -15.192 6.611 0.509 271 HA ALA 39 HA ALA 39 -16.385 7.735 2.782 272 HB1 ALA 39 HB1 ALA 39 -18.115 8.173 0.851 273 HB2 ALA 39 HB2 ALA 39 -18.674 7.515 2.388 274 HB3 ALA 39 HB3 ALA 39 -18.435 6.449 1.004 275 H GLU 40 HN GLU 40 -18.072 5.516 3.394 276 HA GLU 40 HA GLU 40 -16.075 3.510 3.769 277 HB2 GLU 40 HB2 GLU 40 -18.854 3.920 4.615 278 HB3 GLU 40 HB1 GLU 40 -18.432 2.233 4.346 279 HG2 GLU 40 HG2 GLU 40 -16.583 2.417 5.898 280 HG3 GLU 40 HG1 GLU 40 -16.921 4.133 6.124 281 H GLY 41 HN GLY 41 -19.177 3.408 1.997 282 HA2 GLY 41 HA2 GLY 41 -19.833 2.191 0.161 283 HA3 GLY 41 HA1 GLY 41 -18.167 2.353 -0.370 284 H CYS 42 HN CYS 42 -17.190 0.506 -0.773 285 HA CYS 42 HA CYS 42 -18.210 -1.948 0.456 286 HB2 CYS 42 HB2 CYS 42 -17.903 -1.663 -2.068 287 HB3 CYS 42 HB1 CYS 42 -16.174 -1.714 -1.767 288 H ALA 43 HN ALA 43 -14.935 -1.648 -0.718 289 HA ALA 43 HA ALA 43 -12.882 -1.788 0.217 290 HB1 ALA 43 HB1 ALA 43 -12.769 0.007 1.519 291 HB2 ALA 43 HB2 ALA 43 -13.010 -1.114 2.863 292 HB3 ALA 43 HB3 ALA 43 -14.388 -0.251 2.173 293 H SER 44 HN SER 44 -15.249 -2.989 2.607 294 HA SER 44 HA SER 44 -13.595 -4.737 3.958 295 HB2 SER 44 HB2 SER 44 -15.857 -6.030 4.318 296 HB3 SER 44 HB1 SER 44 -15.593 -4.439 5.030 297 HG SER 44 HG SER 44 -16.786 -3.526 3.354 298 H CYS 45 HN CYS 45 -14.866 -5.189 0.758 299 HA CYS 45 HA CYS 45 -14.731 -8.031 0.701 300 HB2 CYS 45 HB2 CYS 45 -15.952 -7.157 -1.088 301 HB3 CYS 45 HB1 CYS 45 -14.770 -5.890 -1.405 302 H PHE 46 HN PHE 46 -12.508 -5.503 -0.325 303 HA PHE 46 HA PHE 46 -10.353 -7.268 -0.967 304 HB2 PHE 46 HB2 PHE 46 -10.574 -5.084 -2.020 305 HB3 PHE 46 HB1 PHE 46 -10.537 -4.285 -0.459 306 HD1 PHE 46 HD2 PHE 46 -8.105 -6.895 -0.564 307 HD2 PHE 46 HD1 PHE 46 -8.894 -2.910 -1.820 308 HE1 PHE 46 HE2 PHE 46 -5.689 -6.498 -0.832 309 HE2 PHE 46 HE1 PHE 46 -6.504 -2.512 -2.100 310 HZ PHE 46 HZ PHE 46 -4.883 -4.295 -1.587 311 H CYS 47 HN CYS 47 -11.266 -5.209 1.716 312 HA CYS 47 HA CYS 47 -9.077 -6.180 3.370 313 HB2 CYS 47 HB2 CYS 47 -11.221 -4.117 3.910 314 HB3 CYS 47 HB1 CYS 47 -9.875 -4.491 4.979 315 H GLU 48 HN GLU 48 -10.275 -8.335 3.123 316 HA GLU 48 HA GLU 48 -12.599 -8.548 4.876 317 HB2 GLU 48 HB2 GLU 48 -12.390 -9.711 2.608 318 HB3 GLU 48 HB1 GLU 48 -11.172 -10.740 3.333 319 HG2 GLU 48 HG2 GLU 48 -12.884 -12.125 3.704 320 HG3 GLU 48 HG1 GLU 48 -13.185 -11.086 5.094 321 H ASP 49 HN ASP 49 -10.586 -11.313 4.739 322 HA ASP 49 HA ASP 49 -10.145 -11.291 7.571 323 HB2 ASP 49 HB2 ASP 49 -8.837 -13.390 7.115 324 HB3 ASP 49 HB1 ASP 49 -10.498 -13.432 6.546 325 H HIS 50 HN HIS 50 -8.734 -9.912 4.979 326 HA HIS 50 HA HIS 50 -6.074 -9.633 6.172 327 HB2 HIS 50 HB2 HIS 50 -5.612 -10.196 3.996 328 HB3 HIS 50 HB1 HIS 50 -7.195 -9.701 3.428 329 HD2 HIS 50 HD2 HIS 50 -7.196 -7.452 1.962 330 HE1 HIS 50 HE1 HIS 50 -3.317 -6.061 3.042 331 HE2 HIS 50 HE2 HIS 50 -5.311 -5.704 1.536 332 H CYS 51 HN CYS 51 -6.390 -8.029 7.708 333 HA CYS 51 HA CYS 51 -6.865 -5.369 6.778 334 HB2 CYS 51 HB2 CYS 51 -9.170 -6.141 6.750 335 HB3 CYS 51 HB1 CYS 51 -9.031 -6.706 8.411 336 H HIS 52 HN HIS 52 -4.773 -5.242 7.942 337 HA HIS 52 HA HIS 52 -5.299 -4.524 10.692 338 HB2 HIS 52 HB2 HIS 52 -3.273 -5.556 11.551 339 HB3 HIS 52 HB1 HIS 52 -4.376 -6.758 10.916 340 HD2 HIS 52 HD2 HIS 52 -2.836 -8.686 9.887 341 HE1 HIS 52 HE1 HIS 52 0.165 -6.256 8.143 342 HE2 HIS 52 HE2 HIS 52 -0.733 -8.595 8.379 343 H GLY 53 HN GLY 53 -4.721 -3.282 8.012 344 HA2 GLY 53 HA2 GLY 53 -2.484 -1.575 8.905 345 HA3 GLY 53 HA1 GLY 53 -2.797 -1.939 7.213 346 H VAL 54 HN VAL 54 -3.316 -0.005 6.345 347 HA VAL 54 HA VAL 54 -4.568 2.138 7.595 348 HB VAL 54 HB VAL 54 -5.169 2.914 5.280 349 HG11 VAL 54 HG11 VAL 54 -2.906 3.229 6.435 350 HG12 VAL 54 HG12 VAL 54 -2.979 3.470 4.688 351 HG13 VAL 54 HG13 VAL 54 -2.326 1.971 5.345 352 HG21 VAL 54 HG21 VAL 54 -5.545 1.170 3.885 353 HG22 VAL 54 HG22 VAL 54 -4.347 0.138 4.670 354 HG23 VAL 54 HG23 VAL 54 -3.830 1.394 3.545 355 H CYS 55 HN CYS 55 -5.998 -0.713 6.184 356 HA CYS 55 HA CYS 55 -8.631 0.366 5.954 357 HB2 CYS 55 HB2 CYS 55 -7.334 -2.001 5.155 358 HB3 CYS 55 HB1 CYS 55 -8.639 -2.501 6.229 359 H LYS 56 HN LYS 56 -6.928 -1.504 8.425 360 HA LYS 56 HA LYS 56 -9.203 -2.035 10.018 361 HB2 LYS 56 HB2 LYS 56 -7.741 -3.248 11.194 362 HB3 LYS 56 HB1 LYS 56 -6.478 -2.680 10.116 363 HG2 LYS 56 HG2 LYS 56 -7.002 -0.709 12.133 364 HG3 LYS 56 HG1 LYS 56 -6.689 -2.277 12.877 365 HD2 LYS 56 HD2 LYS 56 -4.593 -2.462 11.681 366 HD3 LYS 56 HD1 LYS 56 -4.926 -0.958 10.813 367 HE2 LYS 56 HE2 LYS 56 -3.339 -0.675 12.691 368 HE3 LYS 56 HE1 LYS 56 -4.794 0.310 12.852 369 HZ1 LYS 56 HZ1 LYS 56 -5.465 -0.818 14.659 370 HZ2 LYS 56 HZ2 LYS 56 -3.820 -1.200 14.814 371 HZ3 LYS 56 HZ3 LYS 56 -4.887 -2.317 14.106 372 H ASP 57 HN ASP 57 -7.237 0.754 9.613 373 HA ASP 57 HA ASP 57 -7.595 2.108 12.014 374 HB2 ASP 57 HB2 ASP 57 -6.014 2.763 10.246 375 HB3 ASP 57 HB1 ASP 57 -7.360 3.253 9.226 376 H LEU 58 HN LEU 58 -9.860 1.619 9.407 377 HA LEU 58 HA LEU 58 -11.623 3.713 10.398 378 HB2 LEU 58 HB2 LEU 58 -11.804 1.853 8.038 379 HB3 LEU 58 HB1 LEU 58 -13.141 2.871 8.532 380 HG LEU 58 HG LEU 58 -12.086 4.015 6.774 381 HD11 LEU 58 HD11 LEU 58 -11.081 6.025 7.884 382 HD12 LEU 58 HD12 LEU 58 -11.196 5.155 9.413 383 HD13 LEU 58 HD13 LEU 58 -12.659 5.540 8.505 384 HD21 LEU 58 HD21 LEU 58 -9.555 3.154 8.081 385 HD22 LEU 58 HD22 LEU 58 -9.564 4.625 7.106 386 HD23 LEU 58 HD23 LEU 58 -10.031 3.082 6.384 387 H HIS 59 HN HIS 59 -11.232 0.306 10.655 388 HA HIS 59 HA HIS 59 -12.222 -1.237 12.003 389 HB2 HIS 59 HB2 HIS 59 -13.676 1.196 12.957 390 HB3 HIS 59 HB1 HIS 59 -14.266 -0.395 13.419 391 HD2 HIS 59 HD2 HIS 59 -12.066 2.171 14.880 392 HE1 HIS 59 HE1 HIS 59 -10.471 -1.514 16.263 393 HE2 HIS 59 HE2 HIS 59 -10.641 0.971 16.685 394 H LEU 60 HN LEU 60 -12.824 -1.768 9.638 395 HA LEU 60 HA LEU 60 -15.653 -2.317 9.612 396 HB2 LEU 60 HB2 LEU 60 -15.891 -1.664 7.354 397 HB3 LEU 60 HB1 LEU 60 -15.263 -0.307 8.240 398 HG LEU 60 HG LEU 60 -13.662 -2.100 6.398 399 HD11 LEU 60 HD11 LEU 60 -14.409 0.771 5.975 400 HD12 LEU 60 HD12 LEU 60 -15.398 -0.558 5.369 401 HD13 LEU 60 HD13 LEU 60 -13.734 -0.370 4.814 402 HD21 LEU 60 HD21 LEU 60 -11.985 -1.298 7.688 403 HD22 LEU 60 HD22 LEU 60 -12.926 0.082 8.252 404 HD23 LEU 60 HD23 LEU 60 -12.189 0.112 6.650 405 H CYS 61 HN CYS 61 -12.894 -3.701 9.923 406 HA CYS 61 HA CYS 61 -13.678 -6.142 8.679 407 HB2 CYS 61 HB2 CYS 61 -11.391 -6.331 7.445 408 HB3 CYS 61 HB1 CYS 61 -12.730 -5.506 6.670 409 H1 ALA 62 HT1 ALA 62 29.881 -0.042 8.514 410 H2 ALA 62 HT2 ALA 62 31.130 -0.117 7.336 411 H3 ALA 62 HT3 ALA 62 30.190 -1.518 7.689 412 HA ALA 62 HA ALA 62 29.250 0.988 6.462 413 HB1 ALA 62 HB1 ALA 62 29.637 -1.778 5.317 414 HB2 ALA 62 HB2 ALA 62 30.545 -0.324 4.900 415 HB3 ALA 62 HB3 ALA 62 28.834 -0.440 4.497 416 H MET 63 HN MET 63 27.156 1.364 6.647 417 HA MET 63 HA MET 63 25.485 -0.642 7.939 418 HB2 MET 63 HB2 MET 63 23.782 1.355 7.789 419 HB3 MET 63 HB1 MET 63 25.067 1.363 8.986 420 HG2 MET 63 HG2 MET 63 26.408 2.793 7.467 421 HG3 MET 63 HG1 MET 63 25.029 2.857 6.371 422 HE1 MET 63 HE1 MET 63 24.745 6.099 6.983 423 HE2 MET 63 HE2 MET 63 26.233 5.158 6.881 424 HE3 MET 63 HE3 MET 63 25.918 6.160 8.298 425 H GLY 64 HN GLY 64 24.375 1.684 5.514 426 HA2 GLY 64 HA2 GLY 64 23.483 1.337 3.402 427 HA3 GLY 64 HA1 GLY 64 23.986 -0.344 3.509 428 H LYS 65 HN LYS 65 21.645 -0.042 2.350 429 HA LYS 65 HA LYS 65 19.647 -0.512 4.462 430 HB2 LYS 65 HB2 LYS 65 19.196 0.309 1.589 431 HB3 LYS 65 HB1 LYS 65 17.928 -0.008 2.759 432 HG2 LYS 65 HG2 LYS 65 18.994 1.853 4.146 433 HG3 LYS 65 HG1 LYS 65 19.867 2.268 2.668 434 HD2 LYS 65 HD2 LYS 65 17.376 2.055 1.675 435 HD3 LYS 65 HD1 LYS 65 16.997 2.552 3.327 436 HE2 LYS 65 HE2 LYS 65 17.198 4.476 1.838 437 HE3 LYS 65 HE1 LYS 65 18.436 4.494 3.093 438 HZ1 LYS 65 HZ1 LYS 65 18.858 3.522 0.310 439 HZ2 LYS 65 HZ2 LYS 65 20.039 3.668 1.519 440 HZ3 LYS 65 HZ3 LYS 65 19.301 5.057 0.888 441 H CYS 66 HN CYS 66 19.939 -2.670 4.790 442 HA CYS 66 HA CYS 66 19.757 -4.901 4.462 443 HB2 CYS 66 HB2 CYS 66 17.574 -3.677 3.117 444 HB3 CYS 66 HB1 CYS 66 18.115 -5.041 2.142 445 H SER 67 HN SER 67 22.094 -4.379 3.602 446 HA SER 67 HA SER 67 22.336 -5.307 0.836 447 HB2 SER 67 HB2 SER 67 24.841 -4.636 1.379 448 HB3 SER 67 HB1 SER 67 23.645 -3.409 0.961 449 HG SER 67 HG SER 67 24.748 -2.770 2.815 450 H VAL 68 HN VAL 68 23.103 -7.220 0.345 451 HA VAL 68 HA VAL 68 23.697 -9.389 0.520 452 HB VAL 68 HB VAL 68 25.779 -8.431 2.483 453 HG11 VAL 68 HG11 VAL 68 25.767 -10.818 2.276 454 HG12 VAL 68 HG12 VAL 68 27.144 -10.202 1.363 455 HG13 VAL 68 HG13 VAL 68 25.685 -10.713 0.519 456 HG21 VAL 68 HG21 VAL 68 26.749 -8.552 -0.197 457 HG22 VAL 68 HG22 VAL 68 26.727 -7.187 0.917 458 HG23 VAL 68 HG23 VAL 68 25.345 -7.484 -0.134 459 H LEU 69 HN LEU 69 24.891 -9.035 3.789 460 HA LEU 69 HA LEU 69 23.489 -11.269 4.724 461 HB2 LEU 69 HB2 LEU 69 25.521 -10.437 5.794 462 HB3 LEU 69 HB1 LEU 69 24.672 -8.987 6.300 463 HG LEU 69 HG LEU 69 23.123 -10.459 7.621 464 HD11 LEU 69 HD11 LEU 69 24.311 -12.695 8.219 465 HD12 LEU 69 HD12 LEU 69 25.060 -12.504 6.632 466 HD13 LEU 69 HD13 LEU 69 23.303 -12.588 6.776 467 HD21 LEU 69 HD21 LEU 69 24.398 -9.838 9.329 468 HD22 LEU 69 HD22 LEU 69 25.724 -9.528 8.206 469 HD23 LEU 69 HD23 LEU 69 25.558 -11.115 8.961 470 H LYS 70 HN LYS 70 22.774 -7.820 5.027 471 HA LYS 70 HA LYS 70 20.555 -8.082 6.728 472 HB2 LYS 70 HB2 LYS 70 21.026 -5.952 4.645 473 HB3 LYS 70 HB1 LYS 70 20.018 -5.825 6.068 474 HG2 LYS 70 HG2 LYS 70 23.008 -6.145 6.127 475 HG3 LYS 70 HG1 LYS 70 22.152 -4.609 6.236 476 HD2 LYS 70 HD2 LYS 70 20.924 -6.100 8.181 477 HD3 LYS 70 HD1 LYS 70 22.602 -6.648 8.272 478 HE2 LYS 70 HE2 LYS 70 21.607 -3.805 8.432 479 HE3 LYS 70 HE1 LYS 70 22.300 -4.758 9.746 480 HZ1 LYS 70 HZ1 LYS 70 23.802 -4.081 7.274 481 HZ2 LYS 70 HZ2 LYS 70 24.418 -4.721 8.723 482 HZ3 LYS 70 HZ3 LYS 70 23.847 -3.130 8.675 483 H LYS 71 HN LYS 71 20.990 -8.640 3.345 484 HA LYS 71 HA LYS 71 18.323 -8.298 2.440 485 HB2 LYS 71 HB2 LYS 71 20.834 -9.326 1.352 486 HB3 LYS 71 HB1 LYS 71 19.449 -10.265 0.808 487 HG2 LYS 71 HG2 LYS 71 19.298 -7.297 0.618 488 HG3 LYS 71 HG1 LYS 71 20.336 -8.160 -0.513 489 HD2 LYS 71 HD2 LYS 71 18.237 -7.908 -1.586 490 HD3 LYS 71 HD1 LYS 71 18.344 -9.596 -1.086 491 HE2 LYS 71 HE2 LYS 71 16.932 -9.082 0.866 492 HE3 LYS 71 HE1 LYS 71 16.828 -7.402 0.337 493 HZ1 LYS 71 HZ1 LYS 71 14.915 -8.219 -0.574 494 HZ2 LYS 71 HZ2 LYS 71 15.526 -9.783 -0.771 495 HZ3 LYS 71 HZ3 LYS 71 15.968 -8.559 -1.856 496 H VAL 72 HN VAL 72 19.919 -10.849 4.150 497 HA VAL 72 HA VAL 72 17.721 -12.713 3.651 498 HB VAL 72 HB VAL 72 20.113 -13.221 5.423 499 HG11 VAL 72 HG11 VAL 72 19.613 -15.580 4.386 500 HG12 VAL 72 HG12 VAL 72 18.011 -14.891 4.129 501 HG13 VAL 72 HG13 VAL 72 18.681 -14.983 5.758 502 HG21 VAL 72 HG21 VAL 72 19.916 -13.483 2.433 503 HG22 VAL 72 HG22 VAL 72 21.116 -14.339 3.401 504 HG23 VAL 72 HG23 VAL 72 21.105 -12.575 3.371 505 H ALA 73 HN ALA 73 18.753 -10.370 5.880 506 HA ALA 73 HA ALA 73 17.467 -11.465 8.207 507 HB1 ALA 73 HB1 ALA 73 19.098 -9.119 7.574 508 HB2 ALA 73 HB2 ALA 73 19.045 -10.110 9.034 509 HB3 ALA 73 HB3 ALA 73 17.851 -8.831 8.789 510 H CYS 74 HN CYS 74 16.607 -9.151 5.674 511 HA CYS 74 HA CYS 74 14.360 -8.068 6.996 512 HB2 CYS 74 HB2 CYS 74 13.565 -7.406 4.725 513 HB3 CYS 74 HB1 CYS 74 15.206 -6.881 5.107 514 H ALA 75 HN ALA 75 14.641 -10.831 4.779 515 HA ALA 75 HA ALA 75 11.851 -11.334 4.701 516 HB1 ALA 75 HB1 ALA 75 12.415 -13.419 3.610 517 HB2 ALA 75 HB2 ALA 75 14.094 -13.272 4.126 518 HB3 ALA 75 HB3 ALA 75 13.423 -12.129 2.963 519 H ALA 76 HN ALA 76 13.928 -11.633 7.242 520 HA ALA 76 HA ALA 76 12.504 -13.941 8.385 521 HB1 ALA 76 HB1 ALA 76 14.301 -14.251 9.876 522 HB2 ALA 76 HB2 ALA 76 14.935 -12.631 9.584 523 HB3 ALA 76 HB3 ALA 76 15.064 -13.867 8.331 524 H ALA 77 HN ALA 77 13.587 -10.647 9.083 525 HA ALA 77 HA ALA 77 12.147 -10.403 11.526 526 HB1 ALA 77 HB1 ALA 77 12.968 -8.249 11.658 527 HB2 ALA 77 HB2 ALA 77 12.983 -8.033 9.910 528 HB3 ALA 77 HB3 ALA 77 14.194 -9.060 10.679 529 H ILE 78 HN ILE 78 11.443 -9.429 8.171 530 HA ILE 78 HA ILE 78 9.064 -8.038 8.915 531 HB ILE 78 HB ILE 78 10.462 -7.767 6.744 532 HG12 ILE 78 HG12 ILE 78 8.319 -7.016 5.547 533 HG13 ILE 78 HG11 ILE 78 7.464 -7.694 6.926 534 HG21 ILE 78 HG21 ILE 78 10.430 -9.321 5.201 535 HG22 ILE 78 HG22 ILE 78 8.674 -9.147 5.066 536 HG23 ILE 78 HG23 ILE 78 9.363 -10.310 6.207 537 HD11 ILE 78 HD11 ILE 78 7.611 -5.560 7.636 538 HD12 ILE 78 HD12 ILE 78 9.095 -5.242 6.735 539 HD13 ILE 78 HD13 ILE 78 9.159 -6.140 8.253 540 H ALA 79 HN ALA 79 9.877 -11.221 7.818 541 HA ALA 79 HA ALA 79 7.271 -12.196 7.397 542 HB1 ALA 79 HB1 ALA 79 8.726 -13.672 6.487 543 HB2 ALA 79 HB2 ALA 79 8.545 -14.457 8.055 544 HB3 ALA 79 HB3 ALA 79 9.939 -13.423 7.743 545 H GLY 80 HN GLY 80 9.228 -11.858 10.283 546 HA2 GLY 80 HA2 GLY 80 7.520 -13.448 11.949 547 HA3 GLY 80 HA1 GLY 80 8.795 -12.364 12.493 548 H ALA 81 HN ALA 81 7.701 -10.090 11.018 549 HA ALA 81 HA ALA 81 5.948 -9.114 13.029 550 HB1 ALA 81 HB1 ALA 81 6.209 -7.045 12.076 551 HB2 ALA 81 HB2 ALA 81 6.272 -7.689 10.436 552 HB3 ALA 81 HB3 ALA 81 7.666 -7.852 11.503 553 H VAL 82 HN VAL 82 5.540 -10.741 10.062 554 HA VAL 82 HA VAL 82 2.967 -9.892 9.331 555 HB VAL 82 HB VAL 82 4.529 -12.424 8.827 556 HG11 VAL 82 HG11 VAL 82 2.914 -13.200 7.335 557 HG12 VAL 82 HG12 VAL 82 2.031 -11.676 7.360 558 HG13 VAL 82 HG13 VAL 82 2.012 -12.728 8.774 559 HG21 VAL 82 HG21 VAL 82 5.573 -11.047 7.418 560 HG22 VAL 82 HG22 VAL 82 4.322 -9.812 7.551 561 HG23 VAL 82 HG23 VAL 82 4.115 -11.162 6.432 562 H ALA 83 HN ALA 83 4.105 -12.725 11.166 563 HA ALA 83 HA ALA 83 1.503 -13.649 11.832 564 HB1 ALA 83 HB1 ALA 83 3.836 -14.347 13.542 565 HB2 ALA 83 HB2 ALA 83 3.849 -14.856 11.851 566 HB3 ALA 83 HB3 ALA 83 2.539 -15.369 12.915 567 H ALA 84 HN ALA 84 3.525 -11.198 13.098 568 HA ALA 84 HA ALA 84 2.478 -11.202 15.752 569 HB1 ALA 84 HB1 ALA 84 3.944 -9.536 16.213 570 HB2 ALA 84 HB2 ALA 84 3.690 -8.728 14.665 571 HB3 ALA 84 HB3 ALA 84 4.710 -10.166 14.754 572 H CYS 85 HN CYS 85 1.762 -9.384 12.796 573 HA CYS 85 HA CYS 85 -0.261 -7.837 14.199 574 HB2 CYS 85 HB2 CYS 85 1.327 -7.091 12.200 575 HB3 CYS 85 HB1 CYS 85 -0.014 -7.701 11.239 576 H GLY 86 HN GLY 86 -0.063 -10.573 12.028 577 HA2 GLY 86 HA2 GLY 86 -1.899 -12.180 12.248 578 HA3 GLY 86 HA1 GLY 86 -2.998 -10.811 12.270 579 H GLY 87 HN GLY 87 -0.278 -11.381 10.045 580 HA2 GLY 87 HA2 GLY 87 -1.070 -12.565 7.900 581 HA3 GLY 87 HA1 GLY 87 -2.266 -11.278 7.863 582 H ILE 88 HN ILE 88 -0.828 -11.440 5.666 583 HA ILE 88 HA ILE 88 1.505 -9.713 5.931 584 HB ILE 88 HB ILE 88 1.794 -11.612 4.471 585 HG12 ILE 88 HG12 ILE 88 2.365 -10.429 2.312 586 HG13 ILE 88 HG11 ILE 88 1.618 -8.986 2.991 587 HG21 ILE 88 HG21 ILE 88 0.340 -11.272 2.204 588 HG22 ILE 88 HG22 ILE 88 -0.818 -10.796 3.449 589 HG23 ILE 88 HG23 ILE 88 -0.059 -12.389 3.510 590 HD11 ILE 88 HD11 ILE 88 4.236 -10.152 3.482 591 HD12 ILE 88 HD12 ILE 88 3.369 -9.724 4.960 592 HD13 ILE 88 HD13 ILE 88 3.659 -8.501 3.718 593 H ASP 89 HN ASP 89 1.623 -7.678 5.350 594 HA ASP 89 HA ASP 89 -0.328 -6.361 3.677 595 HB2 ASP 89 HB2 ASP 89 -1.043 -6.475 6.274 596 HB3 ASP 89 HB1 ASP 89 0.034 -5.091 6.355 597 H LEU 90 HN LEU 90 0.920 -4.161 5.772 598 HA LEU 90 HA LEU 90 3.637 -3.984 5.220 599 HB2 LEU 90 HB2 LEU 90 3.146 -3.584 2.920 600 HB3 LEU 90 HB1 LEU 90 1.932 -2.385 3.319 601 HG LEU 90 HG LEU 90 3.692 -0.868 4.141 602 HD11 LEU 90 HD11 LEU 90 6.083 -1.584 3.321 603 HD12 LEU 90 HD12 LEU 90 5.441 -3.213 3.568 604 HD13 LEU 90 HD13 LEU 90 5.489 -2.070 4.915 605 HD21 LEU 90 HD21 LEU 90 4.958 -1.142 1.672 606 HD22 LEU 90 HD22 LEU 90 3.572 -0.120 2.061 607 HD23 LEU 90 HD23 LEU 90 3.318 -1.752 1.435 608 HA PRO 91 HA PRO 91 1.894 0.413 6.800 609 HB2 PRO 91 HB2 PRO 91 -0.615 -0.158 7.981 610 HB3 PRO 91 HB1 PRO 91 -0.295 0.879 6.591 611 HG2 PRO 91 HG2 PRO 91 -1.230 -1.930 6.676 612 HG3 PRO 91 HG1 PRO 91 -1.525 -0.679 5.456 613 HD2 PRO 91 HD2 PRO 91 0.147 -2.734 5.021 614 HD3 PRO 91 HD1 PRO 91 0.449 -1.118 4.349 615 H CYS 92 HN CYS 92 0.603 -2.503 8.418 616 HA CYS 92 HA CYS 92 1.479 -1.508 10.960 617 HB2 CYS 92 HB2 CYS 92 -0.513 -2.747 11.110 618 HB3 CYS 92 HB1 CYS 92 0.098 -4.030 10.072 619 H VAL 93 HN VAL 93 2.497 -4.021 8.710 620 HA VAL 93 HA VAL 93 4.431 -5.278 10.273 621 HB VAL 93 HB VAL 93 4.708 -5.006 7.300 622 HG11 VAL 93 HG11 VAL 93 4.832 -7.512 8.897 623 HG12 VAL 93 HG12 VAL 93 6.184 -6.379 8.929 624 HG13 VAL 93 HG13 VAL 93 5.665 -7.094 7.401 625 HG21 VAL 93 HG21 VAL 93 2.319 -5.838 8.678 626 HG22 VAL 93 HG22 VAL 93 3.009 -7.179 7.767 627 HG23 VAL 93 HG23 VAL 93 2.611 -5.669 6.949 628 H LEU 94 HN LEU 94 4.521 -2.264 8.560 629 HA LEU 94 HA LEU 94 7.284 -2.005 8.143 630 HB2 LEU 94 HB2 LEU 94 5.577 -0.557 7.108 631 HB3 LEU 94 HB1 LEU 94 5.268 0.179 8.669 632 HG LEU 94 HG LEU 94 7.738 0.848 8.656 633 HD11 LEU 94 HD11 LEU 94 8.448 -0.626 6.866 634 HD12 LEU 94 HD12 LEU 94 8.768 1.060 6.468 635 HD13 LEU 94 HD13 LEU 94 7.399 0.226 5.736 636 HD21 LEU 94 HD21 LEU 94 7.047 2.605 6.706 637 HD22 LEU 94 HD22 LEU 94 6.555 2.726 8.395 638 HD23 LEU 94 HD23 LEU 94 5.470 1.998 7.211 639 H ALA 95 HN ALA 95 5.356 -1.581 11.012 640 HA ALA 95 HA ALA 95 6.880 0.156 12.530 641 HB1 ALA 95 HB1 ALA 95 5.945 -1.691 14.365 642 HB2 ALA 95 HB2 ALA 95 4.809 -1.797 13.019 643 HB3 ALA 95 HB3 ALA 95 5.109 -0.244 13.801 644 H ALA 96 HN ALA 96 7.493 -3.249 11.908 645 HA ALA 96 HA ALA 96 9.507 -3.425 13.971 646 HB1 ALA 96 HB1 ALA 96 9.216 -5.480 11.830 647 HB2 ALA 96 HB2 ALA 96 7.944 -5.294 13.040 648 HB3 ALA 96 HB3 ALA 96 9.591 -5.678 13.544 649 H LEU 97 HN LEU 97 9.577 -1.997 10.971 650 HA LEU 97 HA LEU 97 12.484 -2.432 10.800 651 HB2 LEU 97 HB2 LEU 97 10.464 -2.678 8.609 652 HB3 LEU 97 HB1 LEU 97 12.123 -2.243 8.252 653 HG LEU 97 HG LEU 97 11.149 -4.810 9.500 654 HD11 LEU 97 HD11 LEU 97 11.615 -3.875 6.836 655 HD12 LEU 97 HD12 LEU 97 10.972 -5.430 7.384 656 HD13 LEU 97 HD13 LEU 97 12.716 -5.203 7.214 657 HD21 LEU 97 HD21 LEU 97 13.618 -5.434 9.181 658 HD22 LEU 97 HD22 LEU 97 13.200 -4.429 10.569 659 HD23 LEU 97 HD23 LEU 97 13.916 -3.695 9.133 660 H LYS 98 HN LYS 98 10.466 -0.085 11.510 661 HA LYS 98 HA LYS 98 11.291 1.810 9.498 662 HB2 LYS 98 HB2 LYS 98 9.278 1.779 11.601 663 HB3 LYS 98 HB1 LYS 98 10.160 3.301 11.565 664 HG2 LYS 98 HG2 LYS 98 9.685 3.393 9.099 665 HG3 LYS 98 HG1 LYS 98 8.600 2.023 9.338 666 HD2 LYS 98 HD2 LYS 98 7.261 3.983 9.380 667 HD3 LYS 98 HD1 LYS 98 7.391 3.423 11.050 668 HE2 LYS 98 HE2 LYS 98 8.881 5.148 11.623 669 HE3 LYS 98 HE1 LYS 98 9.258 5.504 9.936 670 HZ1 LYS 98 HZ1 LYS 98 7.706 7.103 11.141 671 HZ2 LYS 98 HZ2 LYS 98 6.535 5.890 11.029 672 HZ3 LYS 98 HZ3 LYS 98 7.199 6.546 9.619 673 H ALA 99 HN ALA 99 13.370 2.352 9.559 674 HA ALA 99 HA ALA 99 14.355 3.937 11.738 675 HB1 ALA 99 HB1 ALA 99 15.224 1.123 11.437 676 HB2 ALA 99 HB2 ALA 99 15.172 2.150 12.874 677 HB3 ALA 99 HB3 ALA 99 16.496 2.314 11.714 678 H ALA 100 HN ALA 100 16.711 4.590 11.250 679 HA ALA 100 HA ALA 100 16.825 5.396 8.476 680 HB1 ALA 100 HB1 ALA 100 18.741 6.720 9.128 681 HB2 ALA 100 HB2 ALA 100 18.827 5.893 10.681 682 HB3 ALA 100 HB3 ALA 100 17.453 6.936 10.312 683 H GLU 101 HN GLU 101 17.927 4.379 6.906 684 HA GLU 101 HA GLU 101 19.200 2.837 5.824 685 HB2 GLU 101 HB2 GLU 101 20.983 3.133 8.256 686 HB3 GLU 101 HB1 GLU 101 21.445 2.341 6.756 687 HG2 GLU 101 HG2 GLU 101 20.613 5.226 6.908 688 HG3 GLU 101 HG1 GLU 101 22.283 4.684 7.061 689 H GLY 102 HN GLY 102 20.891 0.840 7.434 690 HA2 GLY 102 HA2 GLY 102 20.626 -1.212 8.461 691 HA3 GLY 102 HA1 GLY 102 19.029 -0.690 8.976 692 H CYS 103 HN CYS 103 17.345 -0.672 7.230 693 HA CYS 103 HA CYS 103 17.723 -2.301 4.929 694 HB2 CYS 103 HB2 CYS 103 17.675 -4.112 6.561 695 HB3 CYS 103 HB1 CYS 103 16.165 -3.499 7.229 696 H ALA 104 HN ALA 104 14.676 -2.831 6.311 697 HA ALA 104 HA ALA 104 12.592 -2.024 5.995 698 HB1 ALA 104 HB1 ALA 104 14.110 0.533 5.611 699 HB2 ALA 104 HB2 ALA 104 13.108 0.028 6.975 700 HB3 ALA 104 HB3 ALA 104 12.355 0.453 5.437 701 H SER 105 HN SER 105 14.611 -0.499 3.486 702 HA SER 105 HA SER 105 12.662 -0.567 1.478 703 HB2 SER 105 HB2 SER 105 14.731 -0.259 -0.040 704 HB3 SER 105 HB1 SER 105 14.350 0.989 1.147 705 HG SER 105 HG SER 105 15.964 0.207 2.470 706 H CYS 106 HN CYS 106 13.946 -3.284 2.776 707 HA CYS 106 HA CYS 106 14.531 -4.764 0.381 708 HB2 CYS 106 HB2 CYS 106 15.516 -5.596 2.390 709 HB3 CYS 106 HB1 CYS 106 13.977 -5.571 3.241 710 H PHE 107 HN PHE 107 11.818 -4.495 2.592 711 HA PHE 107 HA PHE 107 10.028 -6.118 1.044 712 HB2 PHE 107 HB2 PHE 107 9.940 -5.720 3.538 713 HB3 PHE 107 HB1 PHE 107 9.467 -4.065 3.206 714 HD1 PHE 107 HD2 PHE 107 7.771 -5.742 0.742 715 HD2 PHE 107 HD1 PHE 107 7.861 -5.354 4.974 716 HE1 PHE 107 HE2 PHE 107 5.403 -6.420 0.858 717 HE2 PHE 107 HE1 PHE 107 5.525 -6.033 5.101 718 HZ PHE 107 HZ PHE 107 4.272 -6.554 3.045 719 H CYS 108 HN CYS 108 11.088 -2.870 1.207 720 HA CYS 108 HA CYS 108 9.022 -1.899 -0.625 721 HB2 CYS 108 HB2 CYS 108 11.132 -0.180 0.609 722 HB3 CYS 108 HB1 CYS 108 9.482 0.236 0.165 723 H GLU 109 HN GLU 109 10.325 -3.354 -2.189 724 HA GLU 109 HA GLU 109 12.754 -2.034 -3.133 725 HB2 GLU 109 HB2 GLU 109 12.394 -4.599 -2.768 726 HB3 GLU 109 HB1 GLU 109 11.486 -4.537 -4.265 727 HG2 GLU 109 HG2 GLU 109 13.540 -5.185 -5.021 728 HG3 GLU 109 HG1 GLU 109 13.622 -3.442 -5.243 729 H ASP 110 HN ASP 110 11.062 -3.779 -5.514 730 HA ASP 110 HA ASP 110 10.662 -1.430 -7.123 731 HB2 ASP 110 HB2 ASP 110 9.658 -3.002 -8.773 732 HB3 ASP 110 HB1 ASP 110 11.266 -3.486 -8.257 733 H HIS 111 HN HIS 111 9.104 -2.946 -4.717 734 HA HIS 111 HA HIS 111 6.428 -1.954 -5.360 735 HB2 HIS 111 HB2 HIS 111 6.198 -4.186 -4.744 736 HB3 HIS 111 HB1 HIS 111 7.585 -4.139 -3.669 737 HD2 HIS 111 HD2 HIS 111 6.896 -4.276 -1.115 738 HE1 HIS 111 HE1 HIS 111 2.939 -2.748 -1.471 739 HE2 HIS 111 HE2 HIS 111 4.580 -3.918 0.037 740 H CYS 112 HN CYS 112 6.571 0.204 -4.828 741 HA CYS 112 HA CYS 112 7.195 0.828 -2.032 742 HB2 CYS 112 HB2 CYS 112 9.265 1.100 -3.362 743 HB3 CYS 112 HB1 CYS 112 8.426 2.230 -4.415 744 H HIS 113 HN HIS 113 4.851 1.178 -1.885 745 HA HIS 113 HA HIS 113 4.188 3.876 -2.644 746 HB2 HIS 113 HB2 HIS 113 1.974 3.188 -3.584 747 HB3 HIS 113 HB1 HIS 113 3.362 2.809 -4.588 748 HD2 HIS 113 HD2 HIS 113 2.471 0.572 -5.841 749 HE1 HIS 113 HE1 HIS 113 1.214 -1.560 -2.396 750 HE2 HIS 113 HE2 HIS 113 1.761 -1.716 -4.848 751 H GLY 114 HN GLY 114 4.228 1.618 -0.315 752 HA2 GLY 114 HA2 GLY 114 1.695 2.455 0.908 753 HA3 GLY 114 HA1 GLY 114 2.701 1.120 1.450 754 H VAL 115 HN VAL 115 2.524 1.964 3.588 755 HA VAL 115 HA VAL 115 3.247 4.513 4.478 756 HB VAL 115 HB VAL 115 3.758 3.388 6.658 757 HG11 VAL 115 HG11 VAL 115 1.447 2.230 6.841 758 HG12 VAL 115 HG12 VAL 115 1.209 2.822 5.193 759 HG13 VAL 115 HG13 VAL 115 1.518 3.963 6.501 760 HG21 VAL 115 HG21 VAL 115 3.547 1.022 6.902 761 HG22 VAL 115 HG22 VAL 115 4.702 1.328 5.605 762 HG23 VAL 115 HG23 VAL 115 3.051 0.838 5.219 763 H CYS 116 HN CYS 116 5.242 2.193 3.050 764 HA CYS 116 HA CYS 116 7.634 2.897 4.501 765 HB2 CYS 116 HB2 CYS 116 7.191 0.627 3.589 766 HB3 CYS 116 HB1 CYS 116 7.335 1.294 1.968 767 H LYS 117 HN LYS 117 6.216 3.575 1.322 768 HA LYS 117 HA LYS 117 8.464 4.960 0.269 769 HB2 LYS 117 HB2 LYS 117 6.999 5.832 -1.436 770 HB3 LYS 117 HB1 LYS 117 6.569 4.153 -1.142 771 HG2 LYS 117 HG2 LYS 117 4.572 4.706 -0.107 772 HG3 LYS 117 HG1 LYS 117 5.110 6.343 0.275 773 HD2 LYS 117 HD2 LYS 117 4.729 5.431 -2.560 774 HD3 LYS 117 HD1 LYS 117 3.384 6.053 -1.600 775 HE2 LYS 117 HE2 LYS 117 5.969 7.510 -2.145 776 HE3 LYS 117 HE1 LYS 117 4.448 7.783 -2.997 777 HZ1 LYS 117 HZ1 LYS 117 5.293 9.047 -0.706 778 HZ2 LYS 117 HZ2 LYS 117 4.109 7.960 -0.170 779 HZ3 LYS 117 HZ3 LYS 117 3.727 9.093 -1.369 780 H ASP 118 HN ASP 118 6.273 5.764 2.684 781 HA ASP 118 HA ASP 118 5.937 8.505 2.463 782 HB2 ASP 118 HB2 ASP 118 4.636 7.249 4.007 783 HB3 ASP 118 HB1 ASP 118 6.054 6.664 4.859 784 H LEU 119 HN LEU 119 8.788 6.726 3.394 785 HA LEU 119 HA LEU 119 10.048 9.191 4.365 786 HB2 LEU 119 HB2 LEU 119 10.966 6.323 4.491 787 HB3 LEU 119 HB1 LEU 119 11.963 7.678 4.973 788 HG LEU 119 HG LEU 119 11.084 6.769 6.963 789 HD11 LEU 119 HD11 LEU 119 10.664 9.368 6.296 790 HD12 LEU 119 HD12 LEU 119 10.434 8.681 7.906 791 HD13 LEU 119 HD13 LEU 119 9.053 8.869 6.820 792 HD21 LEU 119 HD21 LEU 119 8.701 6.388 7.354 793 HD22 LEU 119 HD22 LEU 119 9.307 5.413 6.014 794 HD23 LEU 119 HD23 LEU 119 8.353 6.863 5.691 795 H HIS 120 HN HIS 120 9.808 7.329 1.559 796 HA HIS 120 HA HIS 120 10.750 7.475 -0.506 797 HB2 HIS 120 HB2 HIS 120 11.830 9.982 0.720 798 HB3 HIS 120 HB1 HIS 120 12.484 9.430 -0.815 799 HD2 HIS 120 HD2 HIS 120 10.179 12.007 0.035 800 HE1 HIS 120 HE1 HIS 120 8.272 10.137 -3.263 801 HE2 HIS 120 HE2 HIS 120 8.604 12.298 -2.001 802 H LEU 121 HN LEU 121 11.774 5.438 0.159 803 HA LEU 121 HA LEU 121 14.650 5.672 0.030 804 HB2 LEU 121 HB2 LEU 121 14.831 3.842 1.672 805 HB3 LEU 121 HB1 LEU 121 14.288 5.352 2.349 806 HG LEU 121 HG LEU 121 12.407 3.089 1.654 807 HD11 LEU 121 HD11 LEU 121 13.274 3.670 4.438 808 HD12 LEU 121 HD12 LEU 121 14.305 2.665 3.414 809 HD13 LEU 121 HD13 LEU 121 12.638 2.178 3.742 810 HD21 LEU 121 HD21 LEU 121 11.647 5.541 2.049 811 HD22 LEU 121 HD22 LEU 121 11.995 5.186 3.741 812 HD23 LEU 121 HD23 LEU 121 10.801 4.229 2.866 813 H CYS 122 HN CYS 122 12.294 4.808 -1.731 814 HA CYS 122 HA CYS 122 13.659 2.528 -2.859 815 HB2 CYS 122 HB2 CYS 122 11.313 1.333 -3.021 816 HB3 CYS 122 HB1 CYS 122 12.332 1.128 -1.609 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -31.378 2.684 2.706 2 H2 ALA 1 HT2 ALA 1 -31.976 1.358 3.622 3 H3 ALA 1 HT3 ALA 1 -32.413 1.528 1.969 4 HA ALA 1 HA ALA 1 -29.836 0.791 3.153 5 HB1 ALA 1 HB1 ALA 1 -31.902 -0.718 2.247 6 HB2 ALA 1 HB2 ALA 1 -30.217 -1.244 2.279 7 HB3 ALA 1 HB3 ALA 1 -30.909 -0.586 0.795 8 H MET 2 HN MET 2 -28.363 2.256 2.467 9 HA MET 2 HA MET 2 -27.892 2.425 -0.407 10 HB2 MET 2 HB2 MET 2 -27.817 4.819 -0.475 11 HB3 MET 2 HB1 MET 2 -29.363 4.362 0.227 12 HG2 MET 2 HG2 MET 2 -27.908 4.629 2.468 13 HG3 MET 2 HG1 MET 2 -27.075 5.782 1.423 14 HE1 MET 2 HE1 MET 2 -30.457 6.943 -0.126 15 HE2 MET 2 HE2 MET 2 -28.718 6.809 -0.384 16 HE3 MET 2 HE3 MET 2 -29.392 8.269 0.342 17 H GLY 3 HN GLY 3 -25.753 3.734 -0.764 18 HA2 GLY 3 HA2 GLY 3 -23.799 4.410 0.846 19 HA3 GLY 3 HA1 GLY 3 -23.843 2.689 1.199 20 H LYS 4 HN LYS 4 -21.507 3.416 0.366 21 HA LYS 4 HA LYS 4 -21.340 3.257 -2.535 22 HB2 LYS 4 HB2 LYS 4 -19.375 3.830 -0.353 23 HB3 LYS 4 HB1 LYS 4 -18.780 3.263 -1.906 24 HG2 LYS 4 HG2 LYS 4 -20.121 5.170 -2.929 25 HG3 LYS 4 HG1 LYS 4 -20.265 5.791 -1.283 26 HD2 LYS 4 HD2 LYS 4 -17.590 5.067 -2.432 27 HD3 LYS 4 HD1 LYS 4 -18.322 6.635 -2.768 28 HE2 LYS 4 HE2 LYS 4 -17.845 5.546 0.008 29 HE3 LYS 4 HE1 LYS 4 -16.725 6.618 -0.837 30 HZ1 LYS 4 HZ1 LYS 4 -19.472 7.214 0.109 31 HZ2 LYS 4 HZ2 LYS 4 -18.702 8.183 -1.044 32 HZ3 LYS 4 HZ3 LYS 4 -18.027 8.015 0.504 33 H CYS 5 HN CYS 5 -20.390 1.618 -3.672 34 HA CYS 5 HA CYS 5 -19.787 -0.500 -4.222 35 HB2 CYS 5 HB2 CYS 5 -18.934 -0.812 -1.338 36 HB3 CYS 5 HB1 CYS 5 -18.398 -1.774 -2.712 37 H SER 6 HN SER 6 -22.461 0.110 -3.195 38 HA SER 6 HA SER 6 -23.193 -2.390 -1.873 39 HB2 SER 6 HB2 SER 6 -24.868 0.080 -2.385 40 HB3 SER 6 HB1 SER 6 -25.341 -1.313 -1.411 41 HG SER 6 HG SER 6 -24.121 -0.625 0.184 42 H VAL 7 HN VAL 7 -25.218 -3.394 -2.511 43 HA VAL 7 HA VAL 7 -26.097 -4.856 -3.987 44 HB VAL 7 HB VAL 7 -27.819 -3.259 -3.722 45 HG11 VAL 7 HG11 VAL 7 -26.148 -1.516 -5.306 46 HG12 VAL 7 HG12 VAL 7 -27.479 -1.128 -4.217 47 HG13 VAL 7 HG13 VAL 7 -27.808 -1.539 -5.900 48 HG21 VAL 7 HG21 VAL 7 -28.953 -4.463 -5.185 49 HG22 VAL 7 HG22 VAL 7 -27.518 -4.722 -6.178 50 HG23 VAL 7 HG23 VAL 7 -28.516 -3.288 -6.424 51 H LEU 8 HN LEU 8 -25.866 -2.524 -6.632 52 HA LEU 8 HA LEU 8 -25.013 -4.537 -8.412 53 HB2 LEU 8 HB2 LEU 8 -26.303 -2.447 -8.990 54 HB3 LEU 8 HB1 LEU 8 -24.787 -1.570 -8.867 55 HG LEU 8 HG LEU 8 -23.844 -2.970 -10.666 56 HD11 LEU 8 HD11 LEU 8 -25.005 -4.998 -10.542 57 HD12 LEU 8 HD12 LEU 8 -25.556 -4.258 -12.042 58 HD13 LEU 8 HD13 LEU 8 -26.582 -4.204 -10.610 59 HD21 LEU 8 HD21 LEU 8 -26.449 -1.700 -11.484 60 HD22 LEU 8 HD22 LEU 8 -25.001 -1.913 -12.470 61 HD23 LEU 8 HD23 LEU 8 -24.982 -0.797 -11.104 62 H LYS 9 HN LYS 9 -23.248 -2.181 -6.529 63 HA LYS 9 HA LYS 9 -20.753 -2.837 -7.883 64 HB2 LYS 9 HB2 LYS 9 -21.193 -1.034 -5.494 65 HB3 LYS 9 HB1 LYS 9 -19.825 -1.056 -6.588 66 HG2 LYS 9 HG2 LYS 9 -22.490 -0.513 -7.750 67 HG3 LYS 9 HG1 LYS 9 -21.744 0.751 -6.775 68 HD2 LYS 9 HD2 LYS 9 -20.173 -0.591 -8.937 69 HD3 LYS 9 HD1 LYS 9 -21.327 0.685 -9.342 70 HE2 LYS 9 HE2 LYS 9 -18.960 0.887 -7.481 71 HE3 LYS 9 HE1 LYS 9 -19.150 1.667 -9.054 72 HZ1 LYS 9 HZ1 LYS 9 -21.308 2.584 -7.787 73 HZ2 LYS 9 HZ2 LYS 9 -19.814 3.385 -7.772 74 HZ3 LYS 9 HZ3 LYS 9 -20.262 2.402 -6.467 75 H LYS 10 HN LYS 10 -22.569 -4.493 -5.988 76 HA LYS 10 HA LYS 10 -20.437 -5.323 -4.145 77 HB2 LYS 10 HB2 LYS 10 -21.946 -5.153 -2.509 78 HB3 LYS 10 HB1 LYS 10 -23.171 -4.668 -3.668 79 HG2 LYS 10 HG2 LYS 10 -23.900 -6.934 -3.933 80 HG3 LYS 10 HG1 LYS 10 -22.559 -7.526 -2.944 81 HD2 LYS 10 HD2 LYS 10 -24.553 -5.551 -1.864 82 HD3 LYS 10 HD1 LYS 10 -24.880 -7.285 -1.847 83 HE2 LYS 10 HE2 LYS 10 -22.406 -6.040 -0.650 84 HE3 LYS 10 HE1 LYS 10 -23.877 -6.372 0.263 85 HZ1 LYS 10 HZ1 LYS 10 -22.371 -8.456 -1.232 86 HZ2 LYS 10 HZ2 LYS 10 -23.646 -8.687 -0.140 87 HZ3 LYS 10 HZ3 LYS 10 -22.144 -8.130 0.419 88 H VAL 11 HN VAL 11 -21.303 -6.100 -7.042 89 HA VAL 11 HA VAL 11 -22.103 -8.743 -7.187 90 HB VAL 11 HB VAL 11 -20.092 -7.334 -8.949 91 HG11 VAL 11 HG11 VAL 11 -19.768 -9.553 -9.498 92 HG12 VAL 11 HG12 VAL 11 -21.049 -9.081 -10.616 93 HG13 VAL 11 HG13 VAL 11 -21.444 -9.988 -9.157 94 HG21 VAL 11 HG21 VAL 11 -22.138 -6.155 -9.029 95 HG22 VAL 11 HG22 VAL 11 -23.076 -7.650 -9.077 96 HG23 VAL 11 HG23 VAL 11 -22.098 -7.175 -10.466 97 H ALA 12 HN ALA 12 -18.809 -7.513 -7.076 98 HA ALA 12 HA ALA 12 -17.874 -9.559 -5.321 99 HB1 ALA 12 HB1 ALA 12 -16.980 -11.088 -6.700 100 HB2 ALA 12 HB2 ALA 12 -16.299 -9.849 -7.753 101 HB3 ALA 12 HB3 ALA 12 -17.970 -10.369 -7.970 102 H CYS 13 HN CYS 13 -17.690 -7.143 -4.699 103 HA CYS 13 HA CYS 13 -16.509 -5.229 -4.381 104 HB2 CYS 13 HB2 CYS 13 -13.981 -5.664 -4.053 105 HB3 CYS 13 HB1 CYS 13 -15.129 -6.406 -2.951 106 H ALA 14 HN ALA 14 -17.194 -5.769 -7.016 107 HA ALA 14 HA ALA 14 -15.024 -4.915 -8.713 108 HB1 ALA 14 HB1 ALA 14 -17.307 -6.451 -9.088 109 HB2 ALA 14 HB2 ALA 14 -16.226 -5.858 -10.352 110 HB3 ALA 14 HB3 ALA 14 -17.665 -4.935 -9.919 111 H ALA 15 HN ALA 15 -14.989 -2.904 -7.210 112 HA ALA 15 HA ALA 15 -16.445 -0.800 -8.613 113 HB1 ALA 15 HB1 ALA 15 -17.167 0.265 -6.528 114 HB2 ALA 15 HB2 ALA 15 -16.528 -1.100 -5.611 115 HB3 ALA 15 HB3 ALA 15 -17.878 -1.337 -6.721 116 H ALA 16 HN ALA 16 -14.851 -0.452 -5.511 117 HA ALA 16 HA ALA 16 -13.077 1.542 -6.615 118 HB1 ALA 16 HB1 ALA 16 -12.825 0.513 -3.820 119 HB2 ALA 16 HB2 ALA 16 -14.221 1.485 -4.280 120 HB3 ALA 16 HB3 ALA 16 -12.597 2.149 -4.441 121 H ILE 17 HN ILE 17 -12.892 -1.788 -5.917 122 HA ILE 17 HA ILE 17 -10.029 -1.930 -5.689 123 HB ILE 17 HB ILE 17 -12.160 -4.054 -5.981 124 HG12 ILE 17 HG12 ILE 17 -10.626 -3.183 -3.552 125 HG13 ILE 17 HG11 ILE 17 -12.157 -2.441 -4.019 126 HG21 ILE 17 HG21 ILE 17 -9.220 -4.257 -5.735 127 HG22 ILE 17 HG22 ILE 17 -10.385 -5.394 -6.417 128 HG23 ILE 17 HG23 ILE 17 -10.171 -5.295 -4.670 129 HD11 ILE 17 HD11 ILE 17 -12.252 -5.346 -3.917 130 HD12 ILE 17 HD12 ILE 17 -13.350 -4.146 -3.234 131 HD13 ILE 17 HD13 ILE 17 -11.874 -4.585 -2.373 132 H ALA 18 HN ALA 18 -12.159 -1.542 -8.197 133 HA ALA 18 HA ALA 18 -10.311 -2.737 -10.124 134 HB1 ALA 18 HB1 ALA 18 -12.024 -3.397 -11.418 135 HB2 ALA 18 HB2 ALA 18 -12.936 -1.912 -11.142 136 HB3 ALA 18 HB3 ALA 18 -12.976 -3.210 -9.948 137 H GLY 19 HN GLY 19 -11.330 0.159 -8.792 138 HA2 GLY 19 HA2 GLY 19 -10.492 1.649 -11.198 139 HA3 GLY 19 HA1 GLY 19 -11.629 2.273 -10.014 140 H ALA 20 HN ALA 20 -10.433 1.933 -7.617 141 HA ALA 20 HA ALA 20 -8.409 3.919 -7.634 142 HB1 ALA 20 HB1 ALA 20 -8.623 3.979 -5.391 143 HB2 ALA 20 HB2 ALA 20 -8.622 2.224 -5.235 144 HB3 ALA 20 HB3 ALA 20 -10.093 3.062 -5.727 145 H VAL 21 HN VAL 21 -8.285 0.469 -7.883 146 HA VAL 21 HA VAL 21 -5.664 0.116 -6.901 147 HB VAL 21 HB VAL 21 -7.533 -1.509 -8.562 148 HG11 VAL 21 HG11 VAL 21 -4.574 -1.920 -8.426 149 HG12 VAL 21 HG12 VAL 21 -5.676 -2.100 -9.792 150 HG13 VAL 21 HG13 VAL 21 -5.673 -3.300 -8.506 151 HG21 VAL 21 HG21 VAL 21 -6.064 -1.838 -5.969 152 HG22 VAL 21 HG22 VAL 21 -6.970 -3.145 -6.723 153 HG23 VAL 21 HG23 VAL 21 -7.804 -1.676 -6.214 154 H ALA 22 HN ALA 22 -6.971 0.763 -10.108 155 HA ALA 22 HA ALA 22 -4.504 0.592 -11.487 156 HB1 ALA 22 HB1 ALA 22 -5.795 1.970 -13.220 157 HB2 ALA 22 HB2 ALA 22 -7.171 1.805 -12.126 158 HB3 ALA 22 HB3 ALA 22 -6.414 0.370 -12.811 159 H ALA 23 HN ALA 23 -6.145 3.086 -9.702 160 HA ALA 23 HA ALA 23 -4.702 5.295 -10.690 161 HB1 ALA 23 HB1 ALA 23 -6.309 4.823 -8.209 162 HB2 ALA 23 HB2 ALA 23 -6.625 5.908 -9.565 163 HB3 ALA 23 HB3 ALA 23 -5.366 6.301 -8.395 164 H CYS 24 HN CYS 24 -3.975 2.890 -8.255 165 HA CYS 24 HA CYS 24 -1.655 4.357 -7.295 166 HB2 CYS 24 HB2 CYS 24 -3.182 2.854 -5.872 167 HB3 CYS 24 HB1 CYS 24 -2.322 1.508 -6.613 168 H GLY 25 HN GLY 25 -2.416 1.943 -9.638 169 HA2 GLY 25 HA2 GLY 25 -0.934 1.410 -11.411 170 HA3 GLY 25 HA1 GLY 25 0.415 1.859 -10.381 171 H GLY 26 HN GLY 26 -2.234 -0.365 -9.592 172 HA2 GLY 26 HA2 GLY 26 -1.641 -2.794 -10.140 173 HA3 GLY 26 HA1 GLY 26 -0.174 -2.444 -9.239 174 H ILE 27 HN ILE 27 -1.512 -4.509 -8.355 175 HA ILE 27 HA ILE 27 -3.553 -3.885 -6.457 176 HB ILE 27 HB ILE 27 -1.901 -6.355 -6.945 177 HG12 ILE 27 HG12 ILE 27 -3.646 -5.734 -8.565 178 HG13 ILE 27 HG11 ILE 27 -4.024 -7.244 -7.735 179 HG21 ILE 27 HG21 ILE 27 -4.127 -6.069 -4.924 180 HG22 ILE 27 HG22 ILE 27 -2.411 -6.195 -4.530 181 HG23 ILE 27 HG23 ILE 27 -3.238 -7.541 -5.313 182 HD11 ILE 27 HD11 ILE 27 -5.983 -6.402 -7.141 183 HD12 ILE 27 HD12 ILE 27 -5.574 -4.872 -7.917 184 HD13 ILE 27 HD13 ILE 27 -5.152 -5.143 -6.225 185 H ASP 28 HN ASP 28 -3.405 -3.180 -4.528 186 HA ASP 28 HA ASP 28 -1.027 -3.639 -2.919 187 HB2 ASP 28 HB2 ASP 28 -0.760 -1.451 -4.150 188 HB3 ASP 28 HB1 ASP 28 -2.204 -0.873 -3.333 189 H LEU 29 HN LEU 29 -2.692 -1.192 -1.601 190 HA LEU 29 HA LEU 29 -5.134 -1.892 -0.728 191 HB2 LEU 29 HB2 LEU 29 -4.576 -3.975 0.171 192 HB3 LEU 29 HB1 LEU 29 -3.066 -3.396 0.842 193 HG LEU 29 HG LEU 29 -4.263 -2.197 2.592 194 HD11 LEU 29 HD11 LEU 29 -6.304 -1.500 1.701 195 HD12 LEU 29 HD12 LEU 29 -6.760 -2.783 2.835 196 HD13 LEU 29 HD13 LEU 29 -6.693 -3.114 1.094 197 HD21 LEU 29 HD21 LEU 29 -5.367 -4.985 2.450 198 HD22 LEU 29 HD22 LEU 29 -4.893 -4.062 3.875 199 HD23 LEU 29 HD23 LEU 29 -3.664 -4.652 2.756 200 HA PRO 30 HA PRO 30 -3.142 0.854 2.790 201 HB2 PRO 30 HB2 PRO 30 -0.553 1.644 2.098 202 HB3 PRO 30 HB1 PRO 30 -0.996 0.509 3.375 203 HG2 PRO 30 HG2 PRO 30 -0.027 -0.027 0.611 204 HG3 PRO 30 HG1 PRO 30 0.255 -0.941 2.106 205 HD2 PRO 30 HD2 PRO 30 -1.464 -1.780 0.213 206 HD3 PRO 30 HD1 PRO 30 -1.749 -2.068 1.942 207 H CYS 31 HN CYS 31 -1.901 1.306 -0.534 208 HA CYS 31 HA CYS 31 -2.390 4.135 -0.373 209 HB2 CYS 31 HB2 CYS 31 -1.608 4.252 -2.661 210 HB3 CYS 31 HB1 CYS 31 -0.538 3.188 -1.756 211 H VAL 32 HN VAL 32 -3.921 1.322 -1.801 212 HA VAL 32 HA VAL 32 -5.882 2.670 -3.297 213 HB VAL 32 HB VAL 32 -6.018 -0.120 -2.135 214 HG11 VAL 32 HG11 VAL 32 -7.923 1.273 -3.463 215 HG12 VAL 32 HG12 VAL 32 -7.793 -0.484 -3.425 216 HG13 VAL 32 HG13 VAL 32 -7.118 0.421 -4.779 217 HG21 VAL 32 HG21 VAL 32 -3.950 0.678 -3.614 218 HG22 VAL 32 HG22 VAL 32 -5.097 0.350 -4.912 219 HG23 VAL 32 HG23 VAL 32 -4.662 -0.928 -3.779 220 H LEU 33 HN LEU 33 -5.569 1.842 0.042 221 HA LEU 33 HA LEU 33 -8.158 1.695 0.951 222 HB2 LEU 33 HB2 LEU 33 -6.127 1.347 2.326 223 HB3 LEU 33 HB1 LEU 33 -5.872 3.087 2.348 224 HG LEU 33 HG LEU 33 -8.196 3.245 3.405 225 HD11 LEU 33 HD11 LEU 33 -7.763 0.306 3.393 226 HD12 LEU 33 HD12 LEU 33 -9.241 1.235 3.144 227 HD13 LEU 33 HD13 LEU 33 -8.585 1.041 4.770 228 HD21 LEU 33 HD21 LEU 33 -5.667 2.366 4.623 229 HD22 LEU 33 HD22 LEU 33 -7.106 2.197 5.629 230 HD23 LEU 33 HD23 LEU 33 -6.670 3.774 4.969 231 H ALA 34 HN ALA 34 -6.324 4.533 -0.002 232 HA ALA 34 HA ALA 34 -7.621 6.647 1.129 233 HB1 ALA 34 HB1 ALA 34 -5.779 7.112 -0.244 234 HB2 ALA 34 HB2 ALA 34 -7.154 7.865 -1.055 235 HB3 ALA 34 HB3 ALA 34 -6.515 6.330 -1.644 236 H ALA 35 HN ALA 35 -8.729 4.853 -1.729 237 HA ALA 35 HA ALA 35 -11.322 6.235 -1.458 238 HB1 ALA 35 HB1 ALA 35 -11.179 6.726 -3.625 239 HB2 ALA 35 HB2 ALA 35 -11.199 5.001 -3.989 240 HB3 ALA 35 HB3 ALA 35 -9.663 5.836 -3.762 241 H LEU 36 HN LEU 36 -10.174 3.768 -0.174 242 HA LEU 36 HA LEU 36 -12.160 1.819 -1.134 243 HB2 LEU 36 HB2 LEU 36 -9.763 1.167 -1.336 244 HB3 LEU 36 HB1 LEU 36 -9.623 1.279 0.406 245 HG LEU 36 HG LEU 36 -11.401 -0.506 0.568 246 HD11 LEU 36 HD11 LEU 36 -12.287 -0.195 -1.713 247 HD12 LEU 36 HD12 LEU 36 -11.841 -1.866 -1.366 248 HD13 LEU 36 HD13 LEU 36 -10.790 -0.862 -2.362 249 HD21 LEU 36 HD21 LEU 36 -9.676 -1.864 0.890 250 HD22 LEU 36 HD22 LEU 36 -8.640 -0.672 0.105 251 HD23 LEU 36 HD23 LEU 36 -9.377 -1.963 -0.844 252 H LYS 37 HN LYS 37 -11.320 3.832 1.524 253 HA LYS 37 HA LYS 37 -12.304 2.169 3.580 254 HB2 LYS 37 HB2 LYS 37 -12.408 4.293 4.915 255 HB3 LYS 37 HB1 LYS 37 -10.840 3.859 4.283 256 HG2 LYS 37 HG2 LYS 37 -12.204 5.610 2.456 257 HG3 LYS 37 HG1 LYS 37 -12.154 6.310 4.075 258 HD2 LYS 37 HD2 LYS 37 -9.650 5.508 3.987 259 HD3 LYS 37 HD1 LYS 37 -9.916 5.588 2.244 260 HE2 LYS 37 HE2 LYS 37 -9.016 7.690 2.946 261 HE3 LYS 37 HE1 LYS 37 -10.718 7.932 2.547 262 HZ1 LYS 37 HZ1 LYS 37 -10.706 8.983 4.526 263 HZ2 LYS 37 HZ2 LYS 37 -9.374 8.119 5.130 264 HZ3 LYS 37 HZ3 LYS 37 -10.924 7.419 5.142 265 H ALA 38 HN ALA 38 -14.204 1.353 2.846 266 HA ALA 38 HA ALA 38 -16.535 2.971 3.445 267 HB1 ALA 38 HB1 ALA 38 -17.657 2.664 1.399 268 HB2 ALA 38 HB2 ALA 38 -16.494 1.461 0.840 269 HB3 ALA 38 HB3 ALA 38 -16.029 3.159 0.939 270 H ALA 39 HN ALA 39 -18.383 1.012 2.416 271 HA ALA 39 HA ALA 39 -17.629 -1.327 4.038 272 HB1 ALA 39 HB1 ALA 39 -20.243 0.157 3.990 273 HB2 ALA 39 HB2 ALA 39 -19.191 -0.177 5.367 274 HB3 ALA 39 HB3 ALA 39 -20.094 -1.487 4.607 275 H GLU 40 HN GLU 40 -19.937 -2.795 3.587 276 HA GLU 40 HA GLU 40 -20.803 -4.361 2.216 277 HB2 GLU 40 HB2 GLU 40 -20.577 -2.150 0.170 278 HB3 GLU 40 HB1 GLU 40 -21.530 -3.616 -0.022 279 HG2 GLU 40 HG2 GLU 40 -21.965 -1.640 2.200 280 HG3 GLU 40 HG1 GLU 40 -22.806 -1.570 0.653 281 H GLY 41 HN GLY 41 -19.982 -3.914 -0.831 282 HA2 GLY 41 HA2 GLY 41 -18.278 -6.130 -0.982 283 HA3 GLY 41 HA1 GLY 41 -18.589 -5.000 -2.285 284 H CYS 42 HN CYS 42 -17.452 -2.758 -0.565 285 HA CYS 42 HA CYS 42 -14.712 -3.250 -1.381 286 HB2 CYS 42 HB2 CYS 42 -16.111 -0.788 -0.339 287 HB3 CYS 42 HB1 CYS 42 -14.382 -0.839 -0.677 288 H ALA 43 HN ALA 43 -16.386 -4.001 1.311 289 HA ALA 43 HA ALA 43 -14.048 -3.552 3.044 290 HB1 ALA 43 HB1 ALA 43 -16.025 -2.414 3.873 291 HB2 ALA 43 HB2 ALA 43 -15.572 -3.729 4.956 292 HB3 ALA 43 HB3 ALA 43 -16.931 -3.929 3.850 293 H SER 44 HN SER 44 -16.772 -5.859 2.759 294 HA SER 44 HA SER 44 -15.085 -7.951 3.857 295 HB2 SER 44 HB2 SER 44 -17.978 -8.078 2.992 296 HB3 SER 44 HB1 SER 44 -17.117 -9.271 3.967 297 HG SER 44 HG SER 44 -16.747 -7.021 5.215 298 H CYS 45 HN CYS 45 -13.954 -7.344 1.498 299 HA CYS 45 HA CYS 45 -14.298 -9.819 0.038 300 HB2 CYS 45 HB2 CYS 45 -15.838 -8.085 -1.066 301 HB3 CYS 45 HB1 CYS 45 -14.371 -7.238 -1.540 302 H PHE 46 HN PHE 46 -12.745 -6.657 -0.140 303 HA PHE 46 HA PHE 46 -10.215 -7.828 -0.963 304 HB2 PHE 46 HB2 PHE 46 -11.152 -5.713 -1.921 305 HB3 PHE 46 HB1 PHE 46 -10.988 -4.967 -0.344 306 HD1 PHE 46 HD2 PHE 46 -8.138 -6.878 -0.496 307 HD2 PHE 46 HD1 PHE 46 -9.930 -3.509 -2.362 308 HE1 PHE 46 HE2 PHE 46 -5.910 -6.035 -1.124 309 HE2 PHE 46 HE1 PHE 46 -7.739 -2.666 -2.994 310 HZ PHE 46 HZ PHE 46 -5.715 -3.917 -2.366 311 H CYS 47 HN CYS 47 -11.584 -5.931 1.685 312 HA CYS 47 HA CYS 47 -9.222 -6.183 3.305 313 HB2 CYS 47 HB2 CYS 47 -11.953 -5.028 3.870 314 HB3 CYS 47 HB1 CYS 47 -10.623 -5.016 5.022 315 H GLU 48 HN GLU 48 -10.028 -8.749 2.747 316 HA GLU 48 HA GLU 48 -11.630 -9.701 4.978 317 HB2 GLU 48 HB2 GLU 48 -10.332 -10.974 2.590 318 HB3 GLU 48 HB1 GLU 48 -10.775 -11.982 3.961 319 HG2 GLU 48 HG2 GLU 48 -12.713 -10.143 2.622 320 HG3 GLU 48 HG1 GLU 48 -12.449 -11.803 2.091 321 H ASP 49 HN ASP 49 -8.514 -10.863 3.766 322 HA ASP 49 HA ASP 49 -7.623 -11.135 6.548 323 HB2 ASP 49 HB2 ASP 49 -7.573 -13.146 5.034 324 HB3 ASP 49 HB1 ASP 49 -6.355 -12.317 4.069 325 H HIS 50 HN HIS 50 -7.178 -9.366 3.654 326 HA HIS 50 HA HIS 50 -4.544 -8.344 4.402 327 HB2 HIS 50 HB2 HIS 50 -6.401 -7.329 2.230 328 HB3 HIS 50 HB1 HIS 50 -4.697 -6.947 2.415 329 HD2 HIS 50 HD2 HIS 50 -6.550 -8.817 0.012 330 HE1 HIS 50 HE1 HIS 50 -3.199 -11.325 0.712 331 HE2 HIS 50 HE2 HIS 50 -5.026 -10.689 -0.919 332 H CYS 51 HN CYS 51 -4.770 -7.175 6.322 333 HA CYS 51 HA CYS 51 -6.493 -4.813 6.109 334 HB2 CYS 51 HB2 CYS 51 -6.533 -6.752 8.421 335 HB3 CYS 51 HB1 CYS 51 -7.372 -5.205 8.388 336 H HIS 52 HN HIS 52 -3.528 -6.104 7.090 337 HA HIS 52 HA HIS 52 -2.513 -5.051 9.264 338 HB2 HIS 52 HB2 HIS 52 -1.275 -4.788 6.535 339 HB3 HIS 52 HB1 HIS 52 -0.409 -4.447 8.024 340 HD2 HIS 52 HD2 HIS 52 0.991 -6.565 8.879 341 HE1 HIS 52 HE1 HIS 52 -1.262 -9.600 6.951 342 HE2 HIS 52 HE2 HIS 52 0.906 -9.030 8.103 343 H GLY 53 HN GLY 53 -3.361 -3.194 10.203 344 HA2 GLY 53 HA2 GLY 53 -3.396 -0.971 10.749 345 HA3 GLY 53 HA1 GLY 53 -2.028 -0.785 9.678 346 H VAL 54 HN VAL 54 -4.329 -1.858 7.624 347 HA VAL 54 HA VAL 54 -5.166 0.902 7.041 348 HB VAL 54 HB VAL 54 -5.748 -0.265 4.724 349 HG11 VAL 54 HG11 VAL 54 -3.454 0.342 3.946 350 HG12 VAL 54 HG12 VAL 54 -2.993 0.568 5.634 351 HG13 VAL 54 HG13 VAL 54 -4.234 1.593 4.914 352 HG21 VAL 54 HG21 VAL 54 -3.337 -1.867 5.500 353 HG22 VAL 54 HG22 VAL 54 -4.439 -2.100 4.142 354 HG23 VAL 54 HG23 VAL 54 -4.960 -2.493 5.780 355 H CYS 55 HN CYS 55 -6.547 -2.296 6.199 356 HA CYS 55 HA CYS 55 -9.208 -1.279 6.462 357 HB2 CYS 55 HB2 CYS 55 -8.322 -4.172 6.340 358 HB3 CYS 55 HB1 CYS 55 -9.944 -3.557 6.041 359 H LYS 56 HN LYS 56 -6.866 -2.667 8.524 360 HA LYS 56 HA LYS 56 -8.632 -3.546 10.622 361 HB2 LYS 56 HB2 LYS 56 -5.677 -3.083 10.418 362 HB3 LYS 56 HB1 LYS 56 -6.410 -3.242 12.007 363 HG2 LYS 56 HG2 LYS 56 -6.492 -5.285 9.797 364 HG3 LYS 56 HG1 LYS 56 -5.513 -5.359 11.262 365 HD2 LYS 56 HD2 LYS 56 -7.628 -5.301 12.589 366 HD3 LYS 56 HD1 LYS 56 -8.520 -5.439 11.073 367 HE2 LYS 56 HE2 LYS 56 -7.374 -7.572 10.611 368 HE3 LYS 56 HE1 LYS 56 -6.535 -7.433 12.158 369 HZ1 LYS 56 HZ1 LYS 56 -9.046 -7.158 12.956 370 HZ2 LYS 56 HZ2 LYS 56 -8.282 -8.668 12.850 371 HZ3 LYS 56 HZ3 LYS 56 -9.308 -8.141 11.602 372 H ASP 57 HN ASP 57 -7.023 -0.572 9.771 373 HA ASP 57 HA ASP 57 -7.333 0.834 12.192 374 HB2 ASP 57 HB2 ASP 57 -5.897 1.488 10.204 375 HB3 ASP 57 HB1 ASP 57 -7.372 2.020 9.406 376 H LEU 58 HN LEU 58 -9.403 0.378 9.395 377 HA LEU 58 HA LEU 58 -11.487 2.122 10.334 378 HB2 LEU 58 HB2 LEU 58 -11.646 -0.037 8.229 379 HB3 LEU 58 HB1 LEU 58 -12.754 1.305 8.442 380 HG LEU 58 HG LEU 58 -9.855 1.627 7.665 381 HD11 LEU 58 HD11 LEU 58 -10.867 2.203 5.422 382 HD12 LEU 58 HD12 LEU 58 -12.354 1.452 6.001 383 HD13 LEU 58 HD13 LEU 58 -10.880 0.494 5.860 384 HD21 LEU 58 HD21 LEU 58 -11.152 3.842 6.819 385 HD22 LEU 58 HD22 LEU 58 -10.323 3.715 8.370 386 HD23 LEU 58 HD23 LEU 58 -12.068 3.471 8.280 387 H HIS 59 HN HIS 59 -10.492 -1.052 10.966 388 HA HIS 59 HA HIS 59 -11.313 -2.796 12.147 389 HB2 HIS 59 HB2 HIS 59 -11.683 -0.886 13.804 390 HB3 HIS 59 HB1 HIS 59 -13.368 -0.903 13.294 391 HD2 HIS 59 HD2 HIS 59 -12.513 -4.494 13.364 392 HE1 HIS 59 HE1 HIS 59 -13.592 -3.599 17.368 393 HE2 HIS 59 HE2 HIS 59 -13.364 -5.416 15.626 394 H LEU 60 HN LEU 60 -12.021 -3.301 9.853 395 HA LEU 60 HA LEU 60 -14.886 -3.887 9.878 396 HB2 LEU 60 HB2 LEU 60 -13.259 -2.944 7.515 397 HB3 LEU 60 HB1 LEU 60 -14.897 -3.558 7.402 398 HG LEU 60 HG LEU 60 -14.128 -1.109 8.989 399 HD11 LEU 60 HD11 LEU 60 -14.000 -0.012 7.068 400 HD12 LEU 60 HD12 LEU 60 -15.697 -0.397 6.783 401 HD13 LEU 60 HD13 LEU 60 -14.434 -1.456 6.154 402 HD21 LEU 60 HD21 LEU 60 -16.131 -1.912 9.876 403 HD22 LEU 60 HD22 LEU 60 -16.721 -2.448 8.304 404 HD23 LEU 60 HD23 LEU 60 -16.652 -0.726 8.678 405 H CYS 61 HN CYS 61 -12.150 -5.254 10.329 406 HA CYS 61 HA CYS 61 -12.902 -7.821 9.362 407 HB2 CYS 61 HB2 CYS 61 -10.798 -8.163 7.998 408 HB3 CYS 61 HB1 CYS 61 -12.001 -7.114 7.256 409 H1 ALA 62 HT1 ALA 62 28.056 0.840 14.550 410 H2 ALA 62 HT2 ALA 62 27.520 0.660 12.927 411 H3 ALA 62 HT3 ALA 62 29.194 0.838 13.265 412 HA ALA 62 HA ALA 62 28.830 -1.388 12.795 413 HB1 ALA 62 HB1 ALA 62 30.322 -0.943 14.677 414 HB2 ALA 62 HB2 ALA 62 29.453 -2.462 14.898 415 HB3 ALA 62 HB3 ALA 62 28.953 -1.023 15.787 416 H MET 63 HN MET 63 26.559 -0.267 15.297 417 HA MET 63 HA MET 63 24.911 -2.646 14.885 418 HB2 MET 63 HB2 MET 63 23.790 -2.089 16.874 419 HB3 MET 63 HB1 MET 63 25.451 -1.612 17.194 420 HG2 MET 63 HG2 MET 63 24.862 0.715 16.633 421 HG3 MET 63 HG1 MET 63 23.191 0.211 16.398 422 HE1 MET 63 HE1 MET 63 26.066 -0.392 18.924 423 HE2 MET 63 HE2 MET 63 25.425 0.270 20.428 424 HE3 MET 63 HE3 MET 63 25.857 1.350 19.102 425 H GLY 64 HN GLY 64 22.501 -2.285 14.652 426 HA2 GLY 64 HA2 GLY 64 20.988 -0.267 14.029 427 HA3 GLY 64 HA1 GLY 64 22.092 -0.149 12.669 428 H LYS 65 HN LYS 65 19.434 -0.422 12.212 429 HA LYS 65 HA LYS 65 18.578 -3.112 11.893 430 HB2 LYS 65 HB2 LYS 65 17.578 -0.441 11.158 431 HB3 LYS 65 HB1 LYS 65 17.097 -1.723 10.059 432 HG2 LYS 65 HG2 LYS 65 16.075 -2.953 11.871 433 HG3 LYS 65 HG1 LYS 65 16.645 -1.758 13.040 434 HD2 LYS 65 HD2 LYS 65 15.283 -0.042 11.997 435 HD3 LYS 65 HD1 LYS 65 14.766 -1.170 10.747 436 HE2 LYS 65 HE2 LYS 65 14.237 -1.565 13.690 437 HE3 LYS 65 HE1 LYS 65 13.109 -0.777 12.585 438 HZ1 LYS 65 HZ1 LYS 65 14.125 -3.538 12.190 439 HZ2 LYS 65 HZ2 LYS 65 12.856 -2.775 11.364 440 HZ3 LYS 65 HZ3 LYS 65 12.681 -3.181 13.000 441 H CYS 66 HN CYS 66 19.235 -4.540 10.472 442 HA CYS 66 HA CYS 66 20.021 -5.539 8.590 443 HB2 CYS 66 HB2 CYS 66 19.456 -2.935 7.168 444 HB3 CYS 66 HB1 CYS 66 19.604 -4.532 6.443 445 H SER 67 HN SER 67 22.019 -4.861 10.135 446 HA SER 67 HA SER 67 23.871 -3.092 8.829 447 HB2 SER 67 HB2 SER 67 24.164 -4.922 11.220 448 HB3 SER 67 HB1 SER 67 25.456 -3.878 10.619 449 HG SER 67 HG SER 67 23.074 -3.209 11.923 450 H VAL 68 HN VAL 68 24.794 -6.350 9.937 451 HA VAL 68 HA VAL 68 25.670 -6.853 7.175 452 HB VAL 68 HB VAL 68 27.657 -6.371 8.401 453 HG11 VAL 68 HG11 VAL 68 27.487 -8.593 10.311 454 HG12 VAL 68 HG12 VAL 68 26.405 -7.236 10.629 455 HG13 VAL 68 HG13 VAL 68 28.144 -6.968 10.504 456 HG21 VAL 68 HG21 VAL 68 28.561 -7.959 7.136 457 HG22 VAL 68 HG22 VAL 68 27.143 -8.997 7.315 458 HG23 VAL 68 HG23 VAL 68 28.428 -9.036 8.523 459 H LEU 69 HN LEU 69 25.131 -8.642 10.253 460 HA LEU 69 HA LEU 69 24.552 -11.062 8.828 461 HB2 LEU 69 HB2 LEU 69 25.486 -10.983 11.150 462 HB3 LEU 69 HB1 LEU 69 23.920 -10.428 11.714 463 HG LEU 69 HG LEU 69 22.906 -12.532 10.893 464 HD11 LEU 69 HD11 LEU 69 25.102 -14.230 10.668 465 HD12 LEU 69 HD12 LEU 69 25.501 -12.826 9.677 466 HD13 LEU 69 HD13 LEU 69 24.012 -13.721 9.379 467 HD21 LEU 69 HD21 LEU 69 24.426 -12.127 13.177 468 HD22 LEU 69 HD22 LEU 69 24.972 -13.687 12.560 469 HD23 LEU 69 HD23 LEU 69 23.263 -13.423 12.906 470 H LYS 70 HN LYS 70 22.738 -8.325 9.863 471 HA LYS 70 HA LYS 70 20.177 -9.652 9.579 472 HB2 LYS 70 HB2 LYS 70 20.683 -6.700 9.946 473 HB3 LYS 70 HB1 LYS 70 19.234 -7.608 10.326 474 HG2 LYS 70 HG2 LYS 70 20.813 -8.889 11.959 475 HG3 LYS 70 HG1 LYS 70 21.794 -7.431 11.816 476 HD2 LYS 70 HD2 LYS 70 20.411 -6.261 13.128 477 HD3 LYS 70 HD1 LYS 70 18.986 -6.831 12.257 478 HE2 LYS 70 HE2 LYS 70 20.434 -8.176 14.524 479 HE3 LYS 70 HE1 LYS 70 18.757 -7.627 14.474 480 HZ1 LYS 70 HZ1 LYS 70 19.976 -9.959 13.129 481 HZ2 LYS 70 HZ2 LYS 70 18.517 -9.302 12.579 482 HZ3 LYS 70 HZ3 LYS 70 18.630 -9.912 14.153 483 H LYS 71 HN LYS 71 22.352 -8.930 7.432 484 HA LYS 71 HA LYS 71 20.495 -7.685 5.509 485 HB2 LYS 71 HB2 LYS 71 22.638 -6.445 6.097 486 HB3 LYS 71 HB1 LYS 71 23.511 -7.759 5.324 487 HG2 LYS 71 HG2 LYS 71 22.441 -7.252 3.202 488 HG3 LYS 71 HG1 LYS 71 21.500 -5.970 3.966 489 HD2 LYS 71 HD2 LYS 71 23.409 -5.035 2.781 490 HD3 LYS 71 HD1 LYS 71 23.571 -4.780 4.518 491 HE2 LYS 71 HE2 LYS 71 25.701 -5.459 3.550 492 HE3 LYS 71 HE1 LYS 71 25.098 -6.696 4.654 493 HZ1 LYS 71 HZ1 LYS 71 25.388 -6.785 1.735 494 HZ2 LYS 71 HZ2 LYS 71 24.089 -7.637 2.416 495 HZ3 LYS 71 HZ3 LYS 71 25.677 -7.994 2.886 496 H VAL 72 HN VAL 72 21.060 -10.607 6.344 497 HA VAL 72 HA VAL 72 22.213 -11.835 4.051 498 HB VAL 72 HB VAL 72 20.488 -13.093 6.190 499 HG11 VAL 72 HG11 VAL 72 20.459 -14.852 4.812 500 HG12 VAL 72 HG12 VAL 72 22.172 -15.028 5.189 501 HG13 VAL 72 HG13 VAL 72 21.671 -14.147 3.744 502 HG21 VAL 72 HG21 VAL 72 22.402 -13.546 7.397 503 HG22 VAL 72 HG22 VAL 72 22.789 -11.958 6.728 504 HG23 VAL 72 HG23 VAL 72 23.444 -13.415 5.983 505 H ALA 73 HN ALA 73 18.872 -11.843 5.252 506 HA ALA 73 HA ALA 73 17.915 -11.709 2.495 507 HB1 ALA 73 HB1 ALA 73 17.917 -14.108 3.940 508 HB2 ALA 73 HB2 ALA 73 17.048 -13.761 2.446 509 HB3 ALA 73 HB3 ALA 73 16.253 -13.518 4.001 510 H CYS 74 HN CYS 74 17.898 -9.545 3.926 511 HA CYS 74 HA CYS 74 16.624 -7.866 4.810 512 HB2 CYS 74 HB2 CYS 74 14.134 -9.434 4.243 513 HB3 CYS 74 HB1 CYS 74 14.423 -7.707 4.070 514 H ALA 75 HN ALA 75 17.444 -10.144 6.438 515 HA ALA 75 HA ALA 75 15.331 -10.769 8.230 516 HB1 ALA 75 HB1 ALA 75 17.631 -11.582 9.486 517 HB2 ALA 75 HB2 ALA 75 18.102 -11.597 7.783 518 HB3 ALA 75 HB3 ALA 75 16.710 -12.539 8.324 519 H ALA 76 HN ALA 76 14.990 -8.310 8.571 520 HA ALA 76 HA ALA 76 15.829 -7.742 11.240 521 HB1 ALA 76 HB1 ALA 76 17.160 -5.865 10.983 522 HB2 ALA 76 HB2 ALA 76 16.648 -5.598 9.317 523 HB3 ALA 76 HB3 ALA 76 17.749 -6.924 9.700 524 H ALA 77 HN ALA 77 14.995 -5.503 8.624 525 HA ALA 77 HA ALA 77 12.733 -4.540 10.170 526 HB1 ALA 77 HB1 ALA 77 14.090 -3.626 7.656 527 HB2 ALA 77 HB2 ALA 77 13.938 -2.792 9.202 528 HB3 ALA 77 HB3 ALA 77 12.533 -2.960 8.150 529 H ILE 78 HN ILE 78 13.193 -7.016 8.102 530 HA ILE 78 HA ILE 78 10.433 -6.899 7.101 531 HB ILE 78 HB ILE 78 12.953 -7.960 5.829 532 HG12 ILE 78 HG12 ILE 78 10.830 -6.179 4.631 533 HG13 ILE 78 HG11 ILE 78 12.064 -5.529 5.728 534 HG21 ILE 78 HG21 ILE 78 10.260 -8.289 4.549 535 HG22 ILE 78 HG22 ILE 78 10.952 -9.562 5.557 536 HG23 ILE 78 HG23 ILE 78 11.803 -9.021 4.100 537 HD11 ILE 78 HD11 ILE 78 12.409 -5.508 3.142 538 HD12 ILE 78 HD12 ILE 78 12.948 -7.164 3.414 539 HD13 ILE 78 HD13 ILE 78 13.757 -5.825 4.232 540 H ALA 79 HN ALA 79 12.943 -9.415 7.572 541 HA ALA 79 HA ALA 79 10.904 -11.208 8.592 542 HB1 ALA 79 HB1 ALA 79 12.257 -12.840 7.885 543 HB2 ALA 79 HB2 ALA 79 13.585 -12.239 8.875 544 HB3 ALA 79 HB3 ALA 79 13.340 -11.601 7.250 545 H GLY 80 HN GLY 80 10.894 -9.160 10.174 546 HA2 GLY 80 HA2 GLY 80 11.684 -10.174 12.741 547 HA3 GLY 80 HA1 GLY 80 12.604 -8.749 12.257 548 H ALA 81 HN ALA 81 10.578 -7.471 10.782 549 HA ALA 81 HA ALA 81 9.112 -6.215 12.901 550 HB1 ALA 81 HB1 ALA 81 9.952 -5.446 10.351 551 HB2 ALA 81 HB2 ALA 81 8.996 -4.498 11.485 552 HB3 ALA 81 HB3 ALA 81 8.190 -5.485 10.266 553 H VAL 82 HN VAL 82 8.663 -8.905 10.973 554 HA VAL 82 HA VAL 82 5.899 -8.880 10.508 555 HB VAL 82 HB VAL 82 8.010 -11.033 10.609 556 HG11 VAL 82 HG11 VAL 82 5.663 -12.092 9.457 557 HG12 VAL 82 HG12 VAL 82 5.225 -11.433 11.032 558 HG13 VAL 82 HG13 VAL 82 6.510 -12.631 10.907 559 HG21 VAL 82 HG21 VAL 82 7.416 -9.267 8.694 560 HG22 VAL 82 HG22 VAL 82 6.293 -10.555 8.259 561 HG23 VAL 82 HG23 VAL 82 8.022 -10.889 8.363 562 H ALA 83 HN ALA 83 7.906 -9.931 13.206 563 HA ALA 83 HA ALA 83 5.750 -11.129 14.664 564 HB1 ALA 83 HB1 ALA 83 8.564 -10.407 15.444 565 HB2 ALA 83 HB2 ALA 83 7.920 -12.003 15.057 566 HB3 ALA 83 HB3 ALA 83 7.414 -11.184 16.534 567 H ALA 84 HN ALA 84 6.617 -7.951 14.085 568 HA ALA 84 HA ALA 84 5.533 -7.008 16.628 569 HB1 ALA 84 HB1 ALA 84 6.385 -4.748 15.750 570 HB2 ALA 84 HB2 ALA 84 7.257 -5.705 14.554 571 HB3 ALA 84 HB3 ALA 84 7.578 -5.941 16.271 572 H CYS 85 HN CYS 85 4.759 -7.385 13.330 573 HA CYS 85 HA CYS 85 2.523 -5.485 13.569 574 HB2 CYS 85 HB2 CYS 85 4.374 -5.969 11.468 575 HB3 CYS 85 HB1 CYS 85 2.782 -6.472 10.905 576 H GLY 86 HN GLY 86 3.221 -8.743 13.742 577 HA2 GLY 86 HA2 GLY 86 1.837 -10.577 13.914 578 HA3 GLY 86 HA1 GLY 86 0.470 -9.474 13.818 579 H GLY 87 HN GLY 87 3.086 -10.468 11.611 580 HA2 GLY 87 HA2 GLY 87 2.421 -11.978 9.745 581 HA3 GLY 87 HA1 GLY 87 0.993 -10.965 9.582 582 H ILE 88 HN ILE 88 3.010 -11.571 7.579 583 HA ILE 88 HA ILE 88 4.359 -8.995 7.256 584 HB ILE 88 HB ILE 88 5.832 -10.839 6.945 585 HG12 ILE 88 HG12 ILE 88 6.458 -10.590 4.504 586 HG13 ILE 88 HG11 ILE 88 5.017 -9.592 4.323 587 HG21 ILE 88 HG21 ILE 88 3.753 -12.337 6.255 588 HG22 ILE 88 HG22 ILE 88 5.411 -12.776 5.846 589 HG23 ILE 88 HG23 ILE 88 4.381 -12.002 4.642 590 HD11 ILE 88 HD11 ILE 88 6.632 -8.005 4.648 591 HD12 ILE 88 HD12 ILE 88 7.559 -9.016 5.756 592 HD13 ILE 88 HD13 ILE 88 6.069 -8.250 6.302 593 H ASP 89 HN ASP 89 3.933 -7.581 5.673 594 HA ASP 89 HA ASP 89 2.431 -8.214 3.334 595 HB2 ASP 89 HB2 ASP 89 0.705 -7.854 5.287 596 HB3 ASP 89 HB1 ASP 89 1.068 -6.150 5.030 597 H LEU 90 HN LEU 90 2.115 -5.049 4.786 598 HA LEU 90 HA LEU 90 4.541 -3.898 4.066 599 HB2 LEU 90 HB2 LEU 90 4.094 -4.342 1.769 600 HB3 LEU 90 HB1 LEU 90 2.459 -3.723 1.894 601 HG LEU 90 HG LEU 90 3.368 -1.444 2.246 602 HD11 LEU 90 HD11 LEU 90 6.037 -2.696 1.598 603 HD12 LEU 90 HD12 LEU 90 5.556 -2.096 3.191 604 HD13 LEU 90 HD13 LEU 90 5.705 -0.980 1.831 605 HD21 LEU 90 HD21 LEU 90 4.628 -1.576 -0.159 606 HD22 LEU 90 HD22 LEU 90 2.881 -1.503 0.060 607 HD23 LEU 90 HD23 LEU 90 3.675 -3.059 -0.174 608 HA PRO 91 HA PRO 91 0.941 -0.396 4.390 609 HB2 PRO 91 HB2 PRO 91 -0.976 -1.738 6.043 610 HB3 PRO 91 HB1 PRO 91 -1.212 -1.019 4.450 611 HG2 PRO 91 HG2 PRO 91 -0.721 -3.835 5.190 612 HG3 PRO 91 HG1 PRO 91 -1.523 -3.169 3.757 613 HD2 PRO 91 HD2 PRO 91 0.910 -4.281 3.613 614 HD3 PRO 91 HD1 PRO 91 0.470 -2.875 2.618 615 H CYS 92 HN CYS 92 0.883 -2.777 7.089 616 HA CYS 92 HA CYS 92 1.453 -0.607 8.902 617 HB2 CYS 92 HB2 CYS 92 0.923 -2.047 10.676 618 HB3 CYS 92 HB1 CYS 92 -0.174 -2.524 9.388 619 H VAL 93 HN VAL 93 3.088 -3.385 7.568 620 HA VAL 93 HA VAL 93 5.270 -3.556 9.266 621 HB VAL 93 HB VAL 93 5.476 -4.059 6.310 622 HG11 VAL 93 HG11 VAL 93 7.485 -4.512 7.404 623 HG12 VAL 93 HG12 VAL 93 6.702 -6.086 7.256 624 HG13 VAL 93 HG13 VAL 93 6.667 -5.224 8.793 625 HG21 VAL 93 HG21 VAL 93 3.722 -5.429 6.366 626 HG22 VAL 93 HG22 VAL 93 3.506 -5.160 8.098 627 HG23 VAL 93 HG23 VAL 93 4.600 -6.420 7.530 628 H LEU 94 HN LEU 94 4.497 -1.194 6.883 629 HA LEU 94 HA LEU 94 6.959 -0.209 6.081 630 HB2 LEU 94 HB2 LEU 94 4.852 0.565 5.147 631 HB3 LEU 94 HB1 LEU 94 4.398 1.277 6.682 632 HG LEU 94 HG LEU 94 6.530 2.729 6.380 633 HD11 LEU 94 HD11 LEU 94 7.700 2.462 4.531 634 HD12 LEU 94 HD12 LEU 94 6.281 2.861 3.564 635 HD13 LEU 94 HD13 LEU 94 6.605 1.182 4.008 636 HD21 LEU 94 HD21 LEU 94 3.886 2.989 5.039 637 HD22 LEU 94 HD22 LEU 94 5.134 4.186 4.699 638 HD23 LEU 94 HD23 LEU 94 4.581 3.935 6.356 639 H ALA 95 HN ALA 95 5.205 0.295 9.086 640 HA ALA 95 HA ALA 95 6.539 2.499 10.108 641 HB1 ALA 95 HB1 ALA 95 5.246 0.167 11.492 642 HB2 ALA 95 HB2 ALA 95 4.576 1.772 11.195 643 HB3 ALA 95 HB3 ALA 95 5.885 1.564 12.357 644 H ALA 96 HN ALA 96 7.391 -0.940 10.492 645 HA ALA 96 HA ALA 96 9.908 -0.103 11.758 646 HB1 ALA 96 HB1 ALA 96 8.694 -2.860 11.626 647 HB2 ALA 96 HB2 ALA 96 8.529 -1.738 12.976 648 HB3 ALA 96 HB3 ALA 96 10.116 -2.379 12.551 649 H LEU 97 HN LEU 97 8.988 -0.396 8.764 650 HA LEU 97 HA LEU 97 10.937 -2.256 7.712 651 HB2 LEU 97 HB2 LEU 97 8.704 -1.825 6.664 652 HB3 LEU 97 HB1 LEU 97 9.260 -0.218 6.239 653 HG LEU 97 HG LEU 97 10.939 -1.140 4.749 654 HD11 LEU 97 HD11 LEU 97 11.423 -3.158 6.078 655 HD12 LEU 97 HD12 LEU 97 11.176 -3.503 4.367 656 HD13 LEU 97 HD13 LEU 97 9.899 -3.857 5.531 657 HD21 LEU 97 HD21 LEU 97 9.366 -1.166 3.177 658 HD22 LEU 97 HD22 LEU 97 8.132 -1.413 4.412 659 HD23 LEU 97 HD23 LEU 97 8.909 -2.801 3.650 660 H LYS 98 HN LYS 98 11.003 0.860 8.860 661 HA LYS 98 HA LYS 98 12.769 2.204 7.130 662 HB2 LYS 98 HB2 LYS 98 11.401 3.224 8.973 663 HB3 LYS 98 HB1 LYS 98 12.504 2.490 10.130 664 HG2 LYS 98 HG2 LYS 98 14.355 3.792 9.023 665 HG3 LYS 98 HG1 LYS 98 13.100 4.661 8.133 666 HD2 LYS 98 HD2 LYS 98 13.488 4.551 11.124 667 HD3 LYS 98 HD1 LYS 98 13.708 5.946 10.068 668 HE2 LYS 98 HE2 LYS 98 11.315 5.920 9.535 669 HE3 LYS 98 HE1 LYS 98 11.093 4.531 10.598 670 HZ1 LYS 98 HZ1 LYS 98 12.324 6.958 11.695 671 HZ2 LYS 98 HZ2 LYS 98 11.361 5.797 12.464 672 HZ3 LYS 98 HZ3 LYS 98 10.646 6.948 11.443 673 H ALA 99 HN ALA 99 14.600 1.106 6.521 674 HA ALA 99 HA ALA 99 16.419 0.324 8.695 675 HB1 ALA 99 HB1 ALA 99 15.881 -1.775 8.025 676 HB2 ALA 99 HB2 ALA 99 17.161 -1.445 6.857 677 HB3 ALA 99 HB3 ALA 99 15.471 -1.267 6.387 678 H ALA 100 HN ALA 100 18.666 -0.247 7.576 679 HA ALA 100 HA ALA 100 19.463 2.222 6.262 680 HB1 ALA 100 HB1 ALA 100 21.800 1.017 6.657 681 HB2 ALA 100 HB2 ALA 100 20.847 0.142 7.858 682 HB3 ALA 100 HB3 ALA 100 20.964 1.901 7.934 683 H GLU 101 HN GLU 101 21.100 -0.870 5.804 684 HA GLU 101 HA GLU 101 20.652 -0.579 2.902 685 HB2 GLU 101 HB2 GLU 101 23.072 -1.778 4.253 686 HB3 GLU 101 HB1 GLU 101 22.872 -1.457 2.538 687 HG2 GLU 101 HG2 GLU 101 22.857 0.704 4.626 688 HG3 GLU 101 HG1 GLU 101 24.315 0.161 3.797 689 H GLY 102 HN GLY 102 20.657 -2.481 1.620 690 HA2 GLY 102 HA2 GLY 102 20.104 -4.619 1.060 691 HA3 GLY 102 HA1 GLY 102 20.837 -5.100 2.574 692 H CYS 103 HN CYS 103 17.984 -3.018 2.439 693 HA CYS 103 HA CYS 103 16.347 -5.350 3.084 694 HB2 CYS 103 HB2 CYS 103 16.812 -3.019 4.892 695 HB3 CYS 103 HB1 CYS 103 15.243 -3.820 4.906 696 H ALA 104 HN ALA 104 16.356 -1.879 2.304 697 HA ALA 104 HA ALA 104 13.570 -1.888 1.622 698 HB1 ALA 104 HB1 ALA 104 15.596 0.134 0.698 699 HB2 ALA 104 HB2 ALA 104 14.916 0.137 2.327 700 HB3 ALA 104 HB3 ALA 104 13.862 0.351 0.930 701 H SER 105 HN SER 105 16.575 -2.377 -0.114 702 HA SER 105 HA SER 105 15.288 -2.352 -2.701 703 HB2 SER 105 HB2 SER 105 18.120 -3.165 -2.032 704 HB3 SER 105 HB1 SER 105 17.485 -2.700 -3.611 705 HG SER 105 HG SER 105 17.254 -0.612 -2.903 706 H CYS 106 HN CYS 106 15.173 -4.667 -0.379 707 HA CYS 106 HA CYS 106 15.442 -6.835 -2.357 708 HB2 CYS 106 HB2 CYS 106 15.671 -8.394 -0.500 709 HB3 CYS 106 HB1 CYS 106 16.873 -7.115 -0.371 710 H PHE 107 HN PHE 107 13.387 -5.427 0.076 711 HA PHE 107 HA PHE 107 11.211 -7.274 -0.420 712 HB2 PHE 107 HB2 PHE 107 11.719 -6.537 1.839 713 HB3 PHE 107 HB1 PHE 107 11.509 -4.861 1.367 714 HD1 PHE 107 HD2 PHE 107 8.995 -6.588 -0.287 715 HD2 PHE 107 HD1 PHE 107 10.166 -5.319 3.589 716 HE1 PHE 107 HE2 PHE 107 6.655 -6.665 0.439 717 HE2 PHE 107 HE1 PHE 107 7.854 -5.406 4.331 718 HZ PHE 107 HZ PHE 107 6.080 -6.064 2.728 719 H CYS 108 HN CYS 108 11.165 -3.725 -0.168 720 HA CYS 108 HA CYS 108 8.933 -3.404 -1.874 721 HB2 CYS 108 HB2 CYS 108 10.961 -1.554 -0.690 722 HB3 CYS 108 HB1 CYS 108 9.843 -0.957 -1.910 723 H GLU 109 HN GLU 109 11.566 -4.638 -2.903 724 HA GLU 109 HA GLU 109 12.498 -2.962 -4.983 725 HB2 GLU 109 HB2 GLU 109 13.710 -4.846 -3.878 726 HB3 GLU 109 HB1 GLU 109 12.631 -5.972 -4.659 727 HG2 GLU 109 HG2 GLU 109 14.625 -5.981 -5.903 728 HG3 GLU 109 HG1 GLU 109 13.417 -5.125 -6.854 729 H ASP 110 HN ASP 110 10.914 -6.141 -5.236 730 HA ASP 110 HA ASP 110 10.098 -5.890 -7.903 731 HB2 ASP 110 HB2 ASP 110 10.262 -8.048 -6.697 732 HB3 ASP 110 HB1 ASP 110 8.863 -7.597 -5.725 733 H HIS 111 HN HIS 111 8.390 -5.340 -4.875 734 HA HIS 111 HA HIS 111 6.332 -3.918 -6.408 735 HB2 HIS 111 HB2 HIS 111 4.971 -4.194 -4.191 736 HB3 HIS 111 HB1 HIS 111 5.026 -5.482 -5.376 737 HD2 HIS 111 HD2 HIS 111 7.998 -5.282 -2.739 738 HE1 HIS 111 HE1 HIS 111 5.399 -8.498 -1.756 739 HE2 HIS 111 HE2 HIS 111 7.667 -7.471 -1.391 740 H CYS 112 HN CYS 112 7.001 -1.907 -6.485 741 HA CYS 112 HA CYS 112 7.804 -0.631 -3.964 742 HB2 CYS 112 HB2 CYS 112 9.556 -0.749 -5.745 743 HB3 CYS 112 HB1 CYS 112 8.519 0.235 -6.772 744 H HIS 113 HN HIS 113 5.270 -0.577 -3.890 745 HA HIS 113 HA HIS 113 4.582 2.117 -4.594 746 HB2 HIS 113 HB2 HIS 113 2.471 1.589 -5.634 747 HB3 HIS 113 HB1 HIS 113 3.766 0.829 -6.531 748 HD2 HIS 113 HD2 HIS 113 0.354 -0.037 -5.730 749 HE1 HIS 113 HE1 HIS 113 2.397 -3.742 -5.329 750 HE2 HIS 113 HE2 HIS 113 0.149 -2.631 -5.607 751 H GLY 114 HN GLY 114 1.978 2.215 -3.760 752 HA2 GLY 114 HA2 GLY 114 0.619 2.131 -1.893 753 HA3 GLY 114 HA1 GLY 114 1.562 0.760 -1.334 754 H VAL 115 HN VAL 115 1.760 1.396 0.789 755 HA VAL 115 HA VAL 115 2.412 3.990 1.664 756 HB VAL 115 HB VAL 115 3.268 2.727 3.763 757 HG11 VAL 115 HG11 VAL 115 0.413 2.105 3.215 758 HG12 VAL 115 HG12 VAL 115 0.934 3.791 3.201 759 HG13 VAL 115 HG13 VAL 115 1.164 2.806 4.648 760 HG21 VAL 115 HG21 VAL 115 1.634 0.441 2.878 761 HG22 VAL 115 HG22 VAL 115 3.057 0.486 3.918 762 HG23 VAL 115 HG23 VAL 115 3.242 0.567 2.165 763 H CYS 116 HN CYS 116 4.413 1.485 0.362 764 HA CYS 116 HA CYS 116 6.842 2.248 1.581 765 HB2 CYS 116 HB2 CYS 116 6.291 0.114 0.203 766 HB3 CYS 116 HB1 CYS 116 6.747 1.096 -1.188 767 H LYS 117 HN LYS 117 5.072 3.467 -1.171 768 HA LYS 117 HA LYS 117 7.260 5.248 -1.922 769 HB2 LYS 117 HB2 LYS 117 4.508 4.825 -3.084 770 HB3 LYS 117 HB1 LYS 117 5.586 6.108 -3.617 771 HG2 LYS 117 HG2 LYS 117 7.277 4.325 -4.145 772 HG3 LYS 117 HG1 LYS 117 6.003 3.139 -3.846 773 HD2 LYS 117 HD2 LYS 117 5.800 3.412 -6.118 774 HD3 LYS 117 HD1 LYS 117 4.656 4.628 -5.541 775 HE2 LYS 117 HE2 LYS 117 7.530 5.256 -6.175 776 HE3 LYS 117 HE1 LYS 117 6.252 5.343 -7.383 777 HZ1 LYS 117 HZ1 LYS 117 6.965 7.246 -5.408 778 HZ2 LYS 117 HZ2 LYS 117 5.354 6.780 -5.179 779 HZ3 LYS 117 HZ3 LYS 117 5.848 7.393 -6.679 780 H ASP 118 HN ASP 118 4.395 5.207 -0.032 781 HA ASP 118 HA ASP 118 3.668 7.905 0.006 782 HB2 ASP 118 HB2 ASP 118 2.473 5.895 1.081 783 HB3 ASP 118 HB1 ASP 118 3.582 6.105 2.431 784 H LEU 119 HN LEU 119 6.055 6.099 1.864 785 HA LEU 119 HA LEU 119 7.012 8.534 3.155 786 HB2 LEU 119 HB2 LEU 119 6.800 6.202 4.280 787 HB3 LEU 119 HB1 LEU 119 8.260 5.802 3.399 788 HG LEU 119 HG LEU 119 8.111 8.136 5.310 789 HD11 LEU 119 HD11 LEU 119 8.901 6.797 7.046 790 HD12 LEU 119 HD12 LEU 119 9.305 5.466 5.963 791 HD13 LEU 119 HD13 LEU 119 7.616 5.828 6.324 792 HD21 LEU 119 HD21 LEU 119 10.397 8.275 5.130 793 HD22 LEU 119 HD22 LEU 119 9.957 7.812 3.488 794 HD23 LEU 119 HD23 LEU 119 10.566 6.598 4.614 795 H HIS 120 HN HIS 120 8.688 5.824 1.623 796 HA HIS 120 HA HIS 120 9.743 6.223 -0.611 797 HB2 HIS 120 HB2 HIS 120 10.026 8.710 -0.157 798 HB3 HIS 120 HB1 HIS 120 11.379 8.281 0.884 799 HD2 HIS 120 HD2 HIS 120 11.794 5.946 -1.945 800 HE1 HIS 120 HE1 HIS 120 13.714 9.504 -3.238 801 HE2 HIS 120 HE2 HIS 120 13.423 7.024 -3.640 802 H LEU 121 HN LEU 121 10.361 4.128 -0.161 803 HA LEU 121 HA LEU 121 12.790 3.858 1.450 804 HB2 LEU 121 HB2 LEU 121 10.637 1.793 0.999 805 HB3 LEU 121 HB1 LEU 121 12.134 1.509 1.869 806 HG LEU 121 HG LEU 121 9.950 3.429 2.690 807 HD11 LEU 121 HD11 LEU 121 9.801 0.787 2.928 808 HD12 LEU 121 HD12 LEU 121 9.207 1.889 4.170 809 HD13 LEU 121 HD13 LEU 121 10.782 1.127 4.356 810 HD21 LEU 121 HD21 LEU 121 12.077 4.319 3.350 811 HD22 LEU 121 HD22 LEU 121 12.585 2.754 3.986 812 HD23 LEU 121 HD23 LEU 121 11.280 3.644 4.771 813 H CYS 122 HN CYS 122 11.069 2.356 -1.300 814 HA CYS 122 HA CYS 122 13.613 1.384 -2.348 815 HB2 CYS 122 HB2 CYS 122 12.049 0.488 -4.220 816 HB3 CYS 122 HB1 CYS 122 11.954 -0.269 -2.637 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -33.980 -8.405 3.166 2 H2 ALA 1 HT2 ALA 1 -32.541 -8.933 2.384 3 H3 ALA 1 HT3 ALA 1 -34.066 -9.153 1.622 4 HA ALA 1 HA ALA 1 -34.142 -7.143 0.840 5 HB1 ALA 1 HB1 ALA 1 -32.977 -6.287 3.478 6 HB2 ALA 1 HB2 ALA 1 -34.604 -6.011 2.848 7 HB3 ALA 1 HB3 ALA 1 -33.227 -5.160 2.144 8 H MET 2 HN MET 2 -32.762 -5.797 -0.409 9 HA MET 2 HA MET 2 -29.919 -6.593 -0.366 10 HB2 MET 2 HB2 MET 2 -31.435 -5.940 -2.893 11 HB3 MET 2 HB1 MET 2 -29.855 -6.692 -2.743 12 HG2 MET 2 HG2 MET 2 -32.476 -7.949 -1.966 13 HG3 MET 2 HG1 MET 2 -31.571 -8.277 -3.441 14 HE1 MET 2 HE1 MET 2 -32.640 -10.371 -1.863 15 HE2 MET 2 HE2 MET 2 -31.502 -11.386 -0.977 16 HE3 MET 2 HE3 MET 2 -31.338 -11.189 -2.721 17 H GLY 3 HN GLY 3 -30.145 -4.498 1.038 18 HA2 GLY 3 HA2 GLY 3 -29.804 -2.195 -0.791 19 HA3 GLY 3 HA1 GLY 3 -30.639 -2.056 0.744 20 H LYS 4 HN LYS 4 -27.700 -3.952 0.390 21 HA LYS 4 HA LYS 4 -26.431 -2.341 2.416 22 HB2 LYS 4 HB2 LYS 4 -24.719 -4.209 0.909 23 HB3 LYS 4 HB1 LYS 4 -24.942 -4.040 2.641 24 HG2 LYS 4 HG2 LYS 4 -26.899 -5.429 0.821 25 HG3 LYS 4 HG1 LYS 4 -25.615 -6.250 1.707 26 HD2 LYS 4 HD2 LYS 4 -27.275 -4.529 3.392 27 HD3 LYS 4 HD1 LYS 4 -28.180 -5.819 2.603 28 HE2 LYS 4 HE2 LYS 4 -27.447 -6.660 4.706 29 HE3 LYS 4 HE1 LYS 4 -26.468 -7.434 3.465 30 HZ1 LYS 4 HZ1 LYS 4 -25.670 -5.673 5.602 31 HZ2 LYS 4 HZ2 LYS 4 -24.992 -5.267 4.106 32 HZ3 LYS 4 HZ3 LYS 4 -24.761 -6.819 4.743 33 H CYS 5 HN CYS 5 -24.931 -0.761 2.119 34 HA CYS 5 HA CYS 5 -23.511 0.702 1.128 35 HB2 CYS 5 HB2 CYS 5 -23.508 -1.390 -1.025 36 HB3 CYS 5 HB1 CYS 5 -22.682 0.147 -1.249 37 H SER 6 HN SER 6 -26.473 0.727 0.800 38 HA SER 6 HA SER 6 -28.144 1.762 -0.371 39 HB2 SER 6 HB2 SER 6 -26.051 3.934 -0.238 40 HB3 SER 6 HB1 SER 6 -27.790 4.181 -0.417 41 HG SER 6 HG SER 6 -26.914 4.320 1.797 42 H VAL 7 HN VAL 7 -26.477 4.134 -2.099 43 HA VAL 7 HA VAL 7 -26.845 2.603 -4.584 44 HB VAL 7 HB VAL 7 -27.477 4.819 -5.656 45 HG11 VAL 7 HG11 VAL 7 -29.816 4.700 -4.459 46 HG12 VAL 7 HG12 VAL 7 -29.120 3.255 -3.723 47 HG13 VAL 7 HG13 VAL 7 -29.250 3.379 -5.479 48 HG21 VAL 7 HG21 VAL 7 -26.666 6.062 -3.491 49 HG22 VAL 7 HG22 VAL 7 -28.300 5.714 -2.926 50 HG23 VAL 7 HG23 VAL 7 -28.057 6.661 -4.395 51 H LEU 8 HN LEU 8 -25.185 5.571 -3.404 52 HA LEU 8 HA LEU 8 -23.434 5.646 -5.626 53 HB2 LEU 8 HB2 LEU 8 -22.069 7.213 -4.194 54 HB3 LEU 8 HB1 LEU 8 -23.724 7.694 -4.514 55 HG LEU 8 HG LEU 8 -23.273 6.214 -1.979 56 HD11 LEU 8 HD11 LEU 8 -21.702 7.547 -1.153 57 HD12 LEU 8 HD12 LEU 8 -22.724 8.949 -1.467 58 HD13 LEU 8 HD13 LEU 8 -21.594 8.389 -2.697 59 HD21 LEU 8 HD21 LEU 8 -24.891 7.799 -1.151 60 HD22 LEU 8 HD22 LEU 8 -25.467 7.153 -2.687 61 HD23 LEU 8 HD23 LEU 8 -24.755 8.763 -2.620 62 H LYS 9 HN LYS 9 -22.967 4.451 -2.332 63 HA LYS 9 HA LYS 9 -20.337 3.473 -3.003 64 HB2 LYS 9 HB2 LYS 9 -20.549 2.521 -0.617 65 HB3 LYS 9 HB1 LYS 9 -20.476 4.267 -0.791 66 HG2 LYS 9 HG2 LYS 9 -22.869 4.429 -0.521 67 HG3 LYS 9 HG1 LYS 9 -23.013 2.675 -0.487 68 HD2 LYS 9 HD2 LYS 9 -23.139 3.217 1.752 69 HD3 LYS 9 HD1 LYS 9 -21.427 2.838 1.569 70 HE2 LYS 9 HE2 LYS 9 -22.327 5.661 1.207 71 HE3 LYS 9 HE1 LYS 9 -22.247 5.001 2.840 72 HZ1 LYS 9 HZ1 LYS 9 -20.017 4.960 2.816 73 HZ2 LYS 9 HZ2 LYS 9 -20.196 6.170 1.635 74 HZ3 LYS 9 HZ3 LYS 9 -19.908 4.566 1.171 75 H LYS 10 HN LYS 10 -23.121 2.504 -4.066 76 HA LYS 10 HA LYS 10 -23.106 -0.286 -3.336 77 HB2 LYS 10 HB2 LYS 10 -25.207 1.001 -3.800 78 HB3 LYS 10 HB1 LYS 10 -24.729 1.097 -5.487 79 HG2 LYS 10 HG2 LYS 10 -26.396 -0.648 -5.088 80 HG3 LYS 10 HG1 LYS 10 -24.878 -1.319 -5.692 81 HD2 LYS 10 HD2 LYS 10 -24.245 -1.932 -3.420 82 HD3 LYS 10 HD1 LYS 10 -25.746 -1.240 -2.806 83 HE2 LYS 10 HE2 LYS 10 -27.023 -2.871 -4.130 84 HE3 LYS 10 HE1 LYS 10 -25.508 -3.581 -4.700 85 HZ1 LYS 10 HZ1 LYS 10 -25.076 -4.520 -2.668 86 HZ2 LYS 10 HZ2 LYS 10 -26.772 -4.557 -2.636 87 HZ3 LYS 10 HZ3 LYS 10 -25.937 -3.335 -1.809 88 H VAL 11 HN VAL 11 -20.895 1.171 -4.945 89 HA VAL 11 HA VAL 11 -20.710 -0.074 -7.479 90 HB VAL 11 HB VAL 11 -18.370 0.621 -5.684 91 HG11 VAL 11 HG11 VAL 11 -18.695 0.335 -8.659 92 HG12 VAL 11 HG12 VAL 11 -17.601 -0.540 -7.589 93 HG13 VAL 11 HG13 VAL 11 -17.323 1.169 -7.927 94 HG21 VAL 11 HG21 VAL 11 -20.378 2.371 -6.512 95 HG22 VAL 11 HG22 VAL 11 -19.025 2.658 -7.609 96 HG23 VAL 11 HG23 VAL 11 -18.795 2.792 -5.864 97 H ALA 12 HN ALA 12 -20.675 -1.350 -4.372 98 HA ALA 12 HA ALA 12 -20.290 -3.375 -3.445 99 HB1 ALA 12 HB1 ALA 12 -20.076 -5.276 -5.298 100 HB2 ALA 12 HB2 ALA 12 -20.760 -3.996 -6.300 101 HB3 ALA 12 HB3 ALA 12 -21.620 -4.543 -4.861 102 H CYS 13 HN CYS 13 -18.147 -1.626 -4.130 103 HA CYS 13 HA CYS 13 -15.903 -1.479 -3.939 104 HB2 CYS 13 HB2 CYS 13 -14.787 -2.975 -2.638 105 HB3 CYS 13 HB1 CYS 13 -16.435 -3.480 -2.283 106 H ALA 14 HN ALA 14 -17.061 -4.039 -6.007 107 HA ALA 14 HA ALA 14 -14.892 -4.942 -7.317 108 HB1 ALA 14 HB1 ALA 14 -16.501 -4.892 -9.409 109 HB2 ALA 14 HB2 ALA 14 -17.684 -4.441 -8.179 110 HB3 ALA 14 HB3 ALA 14 -16.791 -5.958 -8.032 111 H ALA 15 HN ALA 15 -16.751 -2.566 -9.191 112 HA ALA 15 HA ALA 15 -14.779 -1.962 -10.983 113 HB1 ALA 15 HB1 ALA 15 -16.280 0.433 -10.483 114 HB2 ALA 15 HB2 ALA 15 -17.334 -0.981 -10.449 115 HB3 ALA 15 HB3 ALA 15 -16.332 -0.663 -11.864 116 H ALA 16 HN ALA 16 -15.186 -0.469 -7.811 117 HA ALA 16 HA ALA 16 -13.238 1.561 -8.351 118 HB1 ALA 16 HB1 ALA 16 -15.056 0.901 -6.189 119 HB2 ALA 16 HB2 ALA 16 -14.468 2.467 -6.748 120 HB3 ALA 16 HB3 ALA 16 -13.499 1.509 -5.629 121 H ILE 17 HN ILE 17 -13.107 -1.665 -6.958 122 HA ILE 17 HA ILE 17 -10.456 -1.168 -5.896 123 HB ILE 17 HB ILE 17 -12.106 -2.695 -4.768 124 HG12 ILE 17 HG12 ILE 17 -10.229 -4.426 -4.270 125 HG13 ILE 17 HG11 ILE 17 -9.297 -3.479 -5.431 126 HG21 ILE 17 HG21 ILE 17 -12.340 -3.979 -7.130 127 HG22 ILE 17 HG22 ILE 17 -12.852 -4.591 -5.552 128 HG23 ILE 17 HG23 ILE 17 -11.276 -5.049 -6.213 129 HD11 ILE 17 HD11 ILE 17 -8.812 -1.967 -3.908 130 HD12 ILE 17 HD12 ILE 17 -9.592 -2.997 -2.706 131 HD13 ILE 17 HD13 ILE 17 -10.515 -1.731 -3.518 132 H ALA 18 HN ALA 18 -11.947 -2.991 -8.474 133 HA ALA 18 HA ALA 18 -9.654 -4.262 -9.489 134 HB1 ALA 18 HB1 ALA 18 -12.391 -3.942 -10.263 135 HB2 ALA 18 HB2 ALA 18 -11.249 -5.214 -10.701 136 HB3 ALA 18 HB3 ALA 18 -11.346 -3.742 -11.667 137 H GLY 19 HN GLY 19 -11.012 -1.066 -10.168 138 HA2 GLY 19 HA2 GLY 19 -9.214 -0.497 -12.326 139 HA3 GLY 19 HA1 GLY 19 -10.244 0.661 -11.495 140 H ALA 20 HN ALA 20 -8.939 -0.435 -8.921 141 HA ALA 20 HA ALA 20 -6.873 1.559 -8.845 142 HB1 ALA 20 HB1 ALA 20 -8.580 0.917 -6.978 143 HB2 ALA 20 HB2 ALA 20 -6.937 1.395 -6.551 144 HB3 ALA 20 HB3 ALA 20 -7.376 -0.311 -6.588 145 H VAL 21 HN VAL 21 -7.116 -1.860 -9.174 146 HA VAL 21 HA VAL 21 -4.588 -2.641 -8.288 147 HB VAL 21 HB VAL 21 -6.374 -3.862 -10.400 148 HG11 VAL 21 HG11 VAL 21 -3.851 -4.480 -10.319 149 HG12 VAL 21 HG12 VAL 21 -5.073 -5.742 -10.457 150 HG13 VAL 21 HG13 VAL 21 -4.318 -5.408 -8.899 151 HG21 VAL 21 HG21 VAL 21 -7.098 -3.572 -7.888 152 HG22 VAL 21 HG22 VAL 21 -6.036 -4.957 -7.641 153 HG23 VAL 21 HG23 VAL 21 -7.410 -5.086 -8.740 154 H ALA 22 HN ALA 22 -5.752 -1.737 -11.521 155 HA ALA 22 HA ALA 22 -3.337 -2.113 -12.900 156 HB1 ALA 22 HB1 ALA 22 -4.357 -1.041 -14.708 157 HB2 ALA 22 HB2 ALA 22 -5.360 -0.035 -13.662 158 HB3 ALA 22 HB3 ALA 22 -5.704 -1.758 -13.819 159 H ALA 23 HN ALA 23 -4.667 0.723 -11.258 160 HA ALA 23 HA ALA 23 -2.640 2.536 -12.057 161 HB1 ALA 23 HB1 ALA 23 -3.926 4.050 -11.036 162 HB2 ALA 23 HB2 ALA 23 -3.896 3.166 -9.509 163 HB3 ALA 23 HB3 ALA 23 -5.063 2.731 -10.758 164 H CYS 24 HN CYS 24 -2.911 0.232 -9.455 165 HA CYS 24 HA CYS 24 -0.626 1.299 -8.016 166 HB2 CYS 24 HB2 CYS 24 -2.676 0.160 -6.951 167 HB3 CYS 24 HB1 CYS 24 -1.962 -1.353 -7.499 168 H GLY 25 HN GLY 25 -1.081 -0.591 -10.717 169 HA2 GLY 25 HA2 GLY 25 0.464 -1.681 -12.037 170 HA3 GLY 25 HA1 GLY 25 1.685 -1.318 -10.827 171 H GLY 26 HN GLY 26 -1.212 -2.924 -9.871 172 HA2 GLY 26 HA2 GLY 26 -1.047 -5.519 -10.242 173 HA3 GLY 26 HA1 GLY 26 0.364 -5.295 -9.213 174 H ILE 27 HN ILE 27 -1.384 -6.939 -8.145 175 HA ILE 27 HA ILE 27 -3.383 -5.507 -6.645 176 HB ILE 27 HB ILE 27 -3.751 -7.853 -7.375 177 HG12 ILE 27 HG12 ILE 27 -4.147 -6.737 -4.697 178 HG13 ILE 27 HG11 ILE 27 -5.306 -7.498 -5.780 179 HG21 ILE 27 HG21 ILE 27 -2.039 -9.275 -7.101 180 HG22 ILE 27 HG22 ILE 27 -2.581 -9.410 -5.429 181 HG23 ILE 27 HG23 ILE 27 -1.298 -8.275 -5.848 182 HD11 ILE 27 HD11 ILE 27 -5.264 -8.798 -3.842 183 HD12 ILE 27 HD12 ILE 27 -3.495 -8.788 -3.779 184 HD13 ILE 27 HD13 ILE 27 -4.330 -9.700 -5.039 185 H ASP 28 HN ASP 28 -3.475 -5.297 -4.426 186 HA ASP 28 HA ASP 28 -1.157 -5.784 -2.787 187 HB2 ASP 28 HB2 ASP 28 -0.619 -3.689 -4.074 188 HB3 ASP 28 HB1 ASP 28 -2.039 -2.937 -3.364 189 H LEU 29 HN LEU 29 -2.510 -3.138 -1.612 190 HA LEU 29 HA LEU 29 -5.056 -3.551 -0.761 191 HB2 LEU 29 HB2 LEU 29 -4.442 -5.569 0.406 192 HB3 LEU 29 HB1 LEU 29 -3.106 -4.759 1.206 193 HG LEU 29 HG LEU 29 -4.617 -3.436 2.541 194 HD11 LEU 29 HD11 LEU 29 -7.151 -4.204 2.284 195 HD12 LEU 29 HD12 LEU 29 -6.636 -4.458 0.612 196 HD13 LEU 29 HD13 LEU 29 -6.484 -2.858 1.350 197 HD21 LEU 29 HD21 LEU 29 -5.935 -6.073 2.765 198 HD22 LEU 29 HD22 LEU 29 -5.161 -5.078 3.998 199 HD23 LEU 29 HD23 LEU 29 -4.177 -6.042 2.897 200 HA PRO 30 HA PRO 30 -2.946 -0.375 2.300 201 HB2 PRO 30 HB2 PRO 30 -0.289 0.103 1.583 202 HB3 PRO 30 HB1 PRO 30 -0.835 -0.762 3.019 203 HG2 PRO 30 HG2 PRO 30 0.160 -1.822 0.429 204 HG3 PRO 30 HG1 PRO 30 0.342 -2.484 2.062 205 HD2 PRO 30 HD2 PRO 30 -1.377 -3.522 0.263 206 HD3 PRO 30 HD1 PRO 30 -1.720 -3.516 2.006 207 H CYS 31 HN CYS 31 -1.687 -0.749 -0.974 208 HA CYS 31 HA CYS 31 -1.919 2.076 -1.503 209 HB2 CYS 31 HB2 CYS 31 -0.062 1.311 -2.598 210 HB3 CYS 31 HB1 CYS 31 -0.749 -0.281 -2.885 211 H VAL 32 HN VAL 32 -3.495 -0.926 -2.570 212 HA VAL 32 HA VAL 32 -5.223 0.303 -4.423 213 HB VAL 32 HB VAL 32 -5.659 -2.341 -3.035 214 HG11 VAL 32 HG11 VAL 32 -7.182 -1.013 -4.864 215 HG12 VAL 32 HG12 VAL 32 -7.201 -2.754 -4.579 216 HG13 VAL 32 HG13 VAL 32 -6.209 -2.081 -5.874 217 HG21 VAL 32 HG21 VAL 32 -3.313 -1.818 -4.128 218 HG22 VAL 32 HG22 VAL 32 -4.195 -2.154 -5.616 219 HG23 VAL 32 HG23 VAL 32 -4.103 -3.379 -4.351 220 H LEU 33 HN LEU 33 -5.528 -0.446 -0.985 221 HA LEU 33 HA LEU 33 -8.299 -0.127 -0.683 222 HB2 LEU 33 HB2 LEU 33 -6.416 -0.896 0.975 223 HB3 LEU 33 HB1 LEU 33 -6.395 0.794 1.425 224 HG LEU 33 HG LEU 33 -7.764 -0.669 2.903 225 HD11 LEU 33 HD11 LEU 33 -9.715 0.830 3.011 226 HD12 LEU 33 HD12 LEU 33 -9.204 1.555 1.488 227 HD13 LEU 33 HD13 LEU 33 -8.179 1.691 2.915 228 HD21 LEU 33 HD21 LEU 33 -9.614 -0.806 0.526 229 HD22 LEU 33 HD22 LEU 33 -9.936 -1.440 2.141 230 HD23 LEU 33 HD23 LEU 33 -8.652 -2.147 1.158 231 H ALA 34 HN ALA 34 -5.662 2.165 -0.781 232 HA ALA 34 HA ALA 34 -6.846 4.479 0.174 233 HB1 ALA 34 HB1 ALA 34 -5.228 5.606 -1.533 234 HB2 ALA 34 HB2 ALA 34 -4.644 3.959 -1.768 235 HB3 ALA 34 HB3 ALA 34 -4.587 4.696 -0.167 236 H ALA 35 HN ALA 35 -7.238 2.973 -2.980 237 HA ALA 35 HA ALA 35 -8.453 5.253 -4.204 238 HB1 ALA 35 HB1 ALA 35 -7.389 3.486 -5.526 239 HB2 ALA 35 HB2 ALA 35 -9.066 3.742 -6.005 240 HB3 ALA 35 HB3 ALA 35 -8.636 2.352 -5.008 241 H LEU 36 HN LEU 36 -9.544 2.713 -2.160 242 HA LEU 36 HA LEU 36 -12.360 3.207 -2.726 243 HB2 LEU 36 HB2 LEU 36 -10.829 1.180 -1.190 244 HB3 LEU 36 HB1 LEU 36 -12.473 1.519 -0.688 245 HG LEU 36 HG LEU 36 -11.598 0.509 -3.392 246 HD11 LEU 36 HD11 LEU 36 -13.529 -1.013 -1.876 247 HD12 LEU 36 HD12 LEU 36 -12.020 -0.787 -0.990 248 HD13 LEU 36 HD13 LEU 36 -11.996 -1.525 -2.598 249 HD21 LEU 36 HD21 LEU 36 -14.445 0.535 -2.682 250 HD22 LEU 36 HD22 LEU 36 -13.656 0.900 -4.213 251 HD23 LEU 36 HD23 LEU 36 -13.737 2.129 -2.953 252 H LYS 37 HN LYS 37 -10.229 4.923 -1.103 253 HA LYS 37 HA LYS 37 -11.342 5.077 1.484 254 HB2 LYS 37 HB2 LYS 37 -9.553 6.913 -0.104 255 HB3 LYS 37 HB1 LYS 37 -10.131 7.363 1.494 256 HG2 LYS 37 HG2 LYS 37 -8.813 4.714 1.188 257 HG3 LYS 37 HG1 LYS 37 -7.803 6.162 1.129 258 HD2 LYS 37 HD2 LYS 37 -8.805 6.876 3.292 259 HD3 LYS 37 HD1 LYS 37 -9.662 5.334 3.366 260 HE2 LYS 37 HE2 LYS 37 -7.589 5.336 4.710 261 HE3 LYS 37 HE1 LYS 37 -7.553 4.131 3.422 262 HZ1 LYS 37 HZ1 LYS 37 -5.852 5.165 2.413 263 HZ2 LYS 37 HZ2 LYS 37 -5.594 5.893 3.909 264 HZ3 LYS 37 HZ3 LYS 37 -6.450 6.718 2.709 265 H ALA 38 HN ALA 38 -11.909 7.598 2.119 266 HA ALA 38 HA ALA 38 -13.414 9.307 2.080 267 HB1 ALA 38 HB1 ALA 38 -13.609 8.484 -0.779 268 HB2 ALA 38 HB2 ALA 38 -13.167 10.043 -0.078 269 HB3 ALA 38 HB3 ALA 38 -14.856 9.532 -0.102 270 H ALA 39 HN ALA 39 -14.503 6.268 0.687 271 HA ALA 39 HA ALA 39 -16.813 6.295 2.505 272 HB1 ALA 39 HB1 ALA 39 -16.788 5.921 -0.438 273 HB2 ALA 39 HB2 ALA 39 -18.041 6.592 0.605 274 HB3 ALA 39 HB3 ALA 39 -17.826 4.845 0.495 275 H GLU 40 HN GLU 40 -14.867 5.180 3.570 276 HA GLU 40 HA GLU 40 -13.935 2.675 2.752 277 HB2 GLU 40 HB2 GLU 40 -14.153 3.688 5.586 278 HB3 GLU 40 HB1 GLU 40 -13.039 2.469 4.985 279 HG2 GLU 40 HG2 GLU 40 -11.604 4.198 4.943 280 HG3 GLU 40 HG1 GLU 40 -12.366 4.523 3.388 281 H GLY 41 HN GLY 41 -17.030 3.415 3.844 282 HA2 GLY 41 HA2 GLY 41 -17.684 1.257 5.493 283 HA3 GLY 41 HA1 GLY 41 -18.820 2.128 4.478 284 H CYS 42 HN CYS 42 -17.455 1.383 1.979 285 HA CYS 42 HA CYS 42 -18.368 -1.414 1.902 286 HB2 CYS 42 HB2 CYS 42 -18.164 0.584 -0.358 287 HB3 CYS 42 HB1 CYS 42 -18.773 -1.062 -0.493 288 H ALA 43 HN ALA 43 -15.663 -0.404 2.642 289 HA ALA 43 HA ALA 43 -13.987 -1.331 0.449 290 HB1 ALA 43 HB1 ALA 43 -13.533 0.114 2.996 291 HB2 ALA 43 HB2 ALA 43 -12.854 0.399 1.391 292 HB3 ALA 43 HB3 ALA 43 -12.215 -0.899 2.401 293 H SER 44 HN SER 44 -15.451 -2.528 3.292 294 HA SER 44 HA SER 44 -13.717 -4.537 4.127 295 HB2 SER 44 HB2 SER 44 -15.902 -5.679 4.870 296 HB3 SER 44 HB1 SER 44 -15.559 -4.075 5.520 297 HG SER 44 HG SER 44 -17.722 -4.284 4.756 298 H CYS 45 HN CYS 45 -15.952 -4.434 1.464 299 HA CYS 45 HA CYS 45 -16.292 -7.043 0.717 300 HB2 CYS 45 HB2 CYS 45 -17.417 -5.348 -0.488 301 HB3 CYS 45 HB1 CYS 45 -15.918 -4.524 -0.891 302 H PHE 46 HN PHE 46 -13.547 -4.959 -0.095 303 HA PHE 46 HA PHE 46 -12.171 -6.905 -1.622 304 HB2 PHE 46 HB2 PHE 46 -11.802 -4.536 -1.955 305 HB3 PHE 46 HB1 PHE 46 -11.235 -4.358 -0.300 306 HD1 PHE 46 HD1 PHE 46 -10.449 -6.305 -3.387 307 HD2 PHE 46 HD2 PHE 46 -8.985 -4.312 0.071 308 HE1 PHE 46 HE1 PHE 46 -8.159 -6.677 -4.146 309 HE2 PHE 46 HE2 PHE 46 -6.680 -4.701 -0.679 310 HZ PHE 46 HZ PHE 46 -6.257 -5.884 -2.775 311 H CYS 47 HN CYS 47 -11.603 -5.667 1.690 312 HA CYS 47 HA CYS 47 -9.507 -7.611 2.106 313 HB2 CYS 47 HB2 CYS 47 -10.094 -6.447 4.558 314 HB3 CYS 47 HB1 CYS 47 -8.805 -6.009 3.469 315 H GLU 48 HN GLU 48 -12.366 -8.679 1.907 316 HA GLU 48 HA GLU 48 -13.316 -9.377 4.416 317 HB2 GLU 48 HB2 GLU 48 -14.462 -9.851 2.237 318 HB3 GLU 48 HB1 GLU 48 -13.343 -11.180 1.983 319 HG2 GLU 48 HG2 GLU 48 -15.369 -12.095 2.810 320 HG3 GLU 48 HG1 GLU 48 -14.171 -12.200 4.099 321 H ASP 49 HN ASP 49 -11.059 -11.249 2.375 322 HA ASP 49 HA ASP 49 -10.262 -12.756 4.769 323 HB2 ASP 49 HB2 ASP 49 -9.300 -14.411 3.252 324 HB3 ASP 49 HB1 ASP 49 -10.985 -14.127 2.842 325 H HIS 50 HN HIS 50 -9.480 -9.992 3.843 326 HA HIS 50 HA HIS 50 -6.563 -10.406 3.915 327 HB2 HIS 50 HB2 HIS 50 -8.004 -8.171 2.468 328 HB3 HIS 50 HB1 HIS 50 -6.266 -8.436 2.510 329 HD2 HIS 50 HD2 HIS 50 -9.243 -9.301 0.345 330 HE1 HIS 50 HE1 HIS 50 -6.161 -12.011 -0.748 331 HE2 HIS 50 HE2 HIS 50 -8.501 -11.202 -1.243 332 H CYS 51 HN CYS 51 -7.409 -10.237 6.328 333 HA CYS 51 HA CYS 51 -7.675 -7.443 7.143 334 HB2 CYS 51 HB2 CYS 51 -7.933 -10.048 8.642 335 HB3 CYS 51 HB1 CYS 51 -7.890 -8.491 9.466 336 H HIS 52 HN HIS 52 -5.335 -7.797 5.995 337 HA HIS 52 HA HIS 52 -3.434 -7.739 8.209 338 HB2 HIS 52 HB2 HIS 52 -3.246 -9.877 7.007 339 HB3 HIS 52 HB1 HIS 52 -3.047 -9.016 5.494 340 HD2 HIS 52 HD2 HIS 52 -0.930 -10.547 8.239 341 HE1 HIS 52 HE1 HIS 52 1.647 -8.161 5.861 342 HE2 HIS 52 HE2 HIS 52 1.478 -10.177 7.362 343 H GLY 53 HN GLY 53 -3.357 -5.470 8.252 344 HA2 GLY 53 HA2 GLY 53 -1.659 -3.909 7.196 345 HA3 GLY 53 HA1 GLY 53 -2.534 -4.228 5.712 346 H VAL 54 HN VAL 54 -3.088 -2.197 5.298 347 HA VAL 54 HA VAL 54 -4.011 -0.257 7.049 348 HB VAL 54 HB VAL 54 -4.661 1.006 5.106 349 HG11 VAL 54 HG11 VAL 54 -2.543 0.467 3.638 350 HG12 VAL 54 HG12 VAL 54 -2.143 -0.593 4.993 351 HG13 VAL 54 HG13 VAL 54 -2.373 1.137 5.263 352 HG21 VAL 54 HG21 VAL 54 -4.361 -0.223 2.834 353 HG22 VAL 54 HG22 VAL 54 -5.880 -0.378 3.712 354 HG23 VAL 54 HG23 VAL 54 -4.684 -1.672 3.776 355 H CYS 55 HN CYS 55 -5.891 -2.831 5.549 356 HA CYS 55 HA CYS 55 -8.381 -1.453 5.912 357 HB2 CYS 55 HB2 CYS 55 -8.058 -3.217 4.188 358 HB3 CYS 55 HB1 CYS 55 -7.993 -4.414 5.479 359 H LYS 56 HN LYS 56 -6.702 -4.023 7.701 360 HA LYS 56 HA LYS 56 -8.800 -4.233 9.645 361 HB2 LYS 56 HB2 LYS 56 -7.289 -5.679 10.894 362 HB3 LYS 56 HB1 LYS 56 -7.304 -6.132 9.199 363 HG2 LYS 56 HG2 LYS 56 -5.079 -6.222 9.517 364 HG3 LYS 56 HG1 LYS 56 -5.185 -4.488 9.194 365 HD2 LYS 56 HD2 LYS 56 -4.300 -4.100 11.195 366 HD3 LYS 56 HD1 LYS 56 -5.719 -4.836 11.943 367 HE2 LYS 56 HE2 LYS 56 -3.184 -6.240 11.099 368 HE3 LYS 56 HE1 LYS 56 -3.702 -5.905 12.749 369 HZ1 LYS 56 HZ1 LYS 56 -4.415 -8.032 12.581 370 HZ2 LYS 56 HZ2 LYS 56 -4.612 -7.975 10.899 371 HZ3 LYS 56 HZ3 LYS 56 -5.790 -7.301 11.906 372 H ASP 57 HN ASP 57 -6.364 -1.999 9.069 373 HA ASP 57 HA ASP 57 -5.710 -1.178 11.704 374 HB2 ASP 57 HB2 ASP 57 -4.478 -0.599 9.542 375 HB3 ASP 57 HB1 ASP 57 -5.745 0.591 9.253 376 H LEU 58 HN LEU 58 -8.176 -0.217 9.378 377 HA LEU 58 HA LEU 58 -9.339 1.672 11.279 378 HB2 LEU 58 HB2 LEU 58 -10.101 0.989 8.438 379 HB3 LEU 58 HB1 LEU 58 -10.904 2.196 9.423 380 HG LEU 58 HG LEU 58 -8.008 2.315 8.569 381 HD11 LEU 58 HD11 LEU 58 -10.184 2.708 6.973 382 HD12 LEU 58 HD12 LEU 58 -8.606 3.464 6.746 383 HD13 LEU 58 HD13 LEU 58 -9.888 4.334 7.593 384 HD21 LEU 58 HD21 LEU 58 -9.020 3.482 10.751 385 HD22 LEU 58 HD22 LEU 58 -9.485 4.682 9.547 386 HD23 LEU 58 HD23 LEU 58 -7.789 4.243 9.744 387 H HIS 59 HN HIS 59 -9.426 -1.525 10.890 388 HA HIS 59 HA HIS 59 -10.814 -3.224 11.474 389 HB2 HIS 59 HB2 HIS 59 -11.151 -1.299 13.383 390 HB3 HIS 59 HB1 HIS 59 -12.806 -1.524 12.829 391 HD2 HIS 59 HD2 HIS 59 -10.657 -2.902 15.481 392 HE1 HIS 59 HE1 HIS 59 -13.181 -6.141 14.405 393 HE2 HIS 59 HE2 HIS 59 -11.694 -5.162 16.201 394 H LEU 60 HN LEU 60 -11.218 -2.581 8.969 395 HA LEU 60 HA LEU 60 -14.032 -2.027 8.529 396 HB2 LEU 60 HB2 LEU 60 -11.778 -2.395 6.561 397 HB3 LEU 60 HB1 LEU 60 -13.421 -1.953 6.140 398 HG LEU 60 HG LEU 60 -11.581 -0.283 7.858 399 HD11 LEU 60 HD11 LEU 60 -12.430 0.189 5.007 400 HD12 LEU 60 HD12 LEU 60 -10.874 -0.485 5.482 401 HD13 LEU 60 HD13 LEU 60 -11.309 1.152 5.968 402 HD21 LEU 60 HD21 LEU 60 -13.601 0.509 8.514 403 HD22 LEU 60 HD22 LEU 60 -14.423 -0.080 7.069 404 HD23 LEU 60 HD23 LEU 60 -13.474 1.403 6.998 405 H CYS 61 HN CYS 61 -11.688 -4.636 8.016 406 HA CYS 61 HA CYS 61 -13.810 -6.347 6.964 407 HB2 CYS 61 HB2 CYS 61 -12.019 -8.009 6.585 408 HB3 CYS 61 HB1 CYS 61 -11.671 -6.489 5.763 409 H1 ALA 62 HT1 ALA 62 35.344 -0.061 2.122 410 H2 ALA 62 HT2 ALA 62 34.419 0.491 3.461 411 H3 ALA 62 HT3 ALA 62 34.403 1.372 1.981 412 HA ALA 62 HA ALA 62 32.425 0.230 2.031 413 HB1 ALA 62 HB1 ALA 62 33.695 0.071 -0.093 414 HB2 ALA 62 HB2 ALA 62 32.604 -1.291 0.164 415 HB3 ALA 62 HB3 ALA 62 34.333 -1.481 0.446 416 H MET 63 HN MET 63 31.388 -0.926 3.508 417 HA MET 63 HA MET 63 32.446 -3.583 4.208 418 HB2 MET 63 HB2 MET 63 31.605 -3.156 6.556 419 HB3 MET 63 HB1 MET 63 33.048 -2.267 6.083 420 HG2 MET 63 HG2 MET 63 31.712 -0.279 5.678 421 HG3 MET 63 HG1 MET 63 30.245 -1.168 6.088 422 HE1 MET 63 HE1 MET 63 33.737 -0.489 7.153 423 HE2 MET 63 HE2 MET 63 33.683 -1.448 8.634 424 HE3 MET 63 HE3 MET 63 33.594 0.312 8.718 425 H GLY 64 HN GLY 64 29.720 -1.568 3.501 426 HA2 GLY 64 HA2 GLY 64 28.056 -3.886 3.153 427 HA3 GLY 64 HA1 GLY 64 27.566 -2.900 4.523 428 H LYS 65 HN LYS 65 25.558 -2.658 3.315 429 HA LYS 65 HA LYS 65 25.823 -0.643 1.189 430 HB2 LYS 65 HB2 LYS 65 23.584 -2.637 1.603 431 HB3 LYS 65 HB1 LYS 65 23.621 -1.398 0.357 432 HG2 LYS 65 HG2 LYS 65 25.603 -3.655 0.615 433 HG3 LYS 65 HG1 LYS 65 24.234 -3.616 -0.499 434 HD2 LYS 65 HD2 LYS 65 26.426 -1.543 -0.470 435 HD3 LYS 65 HD1 LYS 65 26.458 -2.977 -1.494 436 HE2 LYS 65 HE2 LYS 65 24.264 -0.906 -1.524 437 HE3 LYS 65 HE1 LYS 65 25.625 -0.934 -2.643 438 HZ1 LYS 65 HZ1 LYS 65 23.745 -3.213 -2.352 439 HZ2 LYS 65 HZ2 LYS 65 24.883 -2.952 -3.575 440 HZ3 LYS 65 HZ3 LYS 65 23.512 -1.957 -3.472 441 H CYS 66 HN CYS 66 23.589 -1.691 3.783 442 HA CYS 66 HA CYS 66 22.774 1.126 4.024 443 HB2 CYS 66 HB2 CYS 66 20.966 -0.437 3.407 444 HB3 CYS 66 HB1 CYS 66 21.254 -1.336 4.892 445 H SER 67 HN SER 67 23.926 2.059 5.535 446 HA SER 67 HA SER 67 24.892 2.583 7.507 447 HB2 SER 67 HB2 SER 67 22.585 0.938 8.552 448 HB3 SER 67 HB1 SER 67 23.529 2.093 9.497 449 HG SER 67 HG SER 67 22.840 3.729 8.038 450 H VAL 68 HN VAL 68 25.006 1.218 9.981 451 HA VAL 68 HA VAL 68 26.747 -1.049 9.286 452 HB VAL 68 HB VAL 68 28.098 -0.446 11.336 453 HG11 VAL 68 HG11 VAL 68 28.357 0.310 8.751 454 HG12 VAL 68 HG12 VAL 68 29.548 0.651 10.004 455 HG13 VAL 68 HG13 VAL 68 28.368 1.880 9.554 456 HG21 VAL 68 HG21 VAL 68 27.547 1.279 12.643 457 HG22 VAL 68 HG22 VAL 68 26.045 1.423 11.729 458 HG23 VAL 68 HG23 VAL 68 27.460 2.365 11.260 459 H LEU 69 HN LEU 69 24.803 0.316 11.984 460 HA LEU 69 HA LEU 69 24.696 -2.327 13.180 461 HB2 LEU 69 HB2 LEU 69 23.409 -1.250 14.983 462 HB3 LEU 69 HB1 LEU 69 24.973 -0.512 14.710 463 HG LEU 69 HG LEU 69 23.483 1.139 13.219 464 HD11 LEU 69 HD11 LEU 69 21.314 1.425 13.899 465 HD12 LEU 69 HD12 LEU 69 21.596 0.696 15.479 466 HD13 LEU 69 HD13 LEU 69 21.457 -0.327 14.049 467 HD21 LEU 69 HD21 LEU 69 23.700 2.697 14.946 468 HD22 LEU 69 HD22 LEU 69 25.008 1.550 15.226 469 HD23 LEU 69 HD23 LEU 69 23.540 1.470 16.200 470 H LYS 70 HN LYS 70 22.875 -0.468 10.998 471 HA LYS 70 HA LYS 70 20.449 -2.018 11.439 472 HB2 LYS 70 HB2 LYS 70 20.962 0.054 9.295 473 HB3 LYS 70 HB1 LYS 70 19.420 -0.555 9.851 474 HG2 LYS 70 HG2 LYS 70 19.963 0.474 12.096 475 HG3 LYS 70 HG1 LYS 70 21.290 1.298 11.280 476 HD2 LYS 70 HD2 LYS 70 18.344 1.546 10.671 477 HD3 LYS 70 HD1 LYS 70 19.391 2.775 11.377 478 HE2 LYS 70 HE2 LYS 70 20.729 2.727 9.256 479 HE3 LYS 70 HE1 LYS 70 19.490 1.673 8.576 480 HZ1 LYS 70 HZ1 LYS 70 18.300 3.456 8.067 481 HZ2 LYS 70 HZ2 LYS 70 19.502 4.465 8.708 482 HZ3 LYS 70 HZ3 LYS 70 18.229 3.922 9.697 483 H LYS 71 HN LYS 71 23.206 -2.848 10.384 484 HA LYS 71 HA LYS 71 22.510 -3.846 7.750 485 HB2 LYS 71 HB2 LYS 71 24.819 -2.939 8.376 486 HB3 LYS 71 HB1 LYS 71 25.038 -4.426 9.291 487 HG2 LYS 71 HG2 LYS 71 24.531 -5.664 7.134 488 HG3 LYS 71 HG1 LYS 71 24.713 -4.104 6.325 489 HD2 LYS 71 HD2 LYS 71 26.980 -3.904 7.131 490 HD3 LYS 71 HD1 LYS 71 26.798 -5.372 8.095 491 HE2 LYS 71 HE2 LYS 71 26.341 -6.594 5.929 492 HE3 LYS 71 HE1 LYS 71 26.856 -5.129 5.093 493 HZ1 LYS 71 HZ1 LYS 71 29.023 -5.323 5.977 494 HZ2 LYS 71 HZ2 LYS 71 28.609 -6.881 5.438 495 HZ3 LYS 71 HZ3 LYS 71 28.548 -6.513 7.096 496 H VAL 72 HN VAL 72 21.206 -4.722 10.322 497 HA VAL 72 HA VAL 72 21.963 -7.424 10.841 498 HB VAL 72 HB VAL 72 19.167 -6.419 11.283 499 HG11 VAL 72 HG11 VAL 72 19.693 -7.660 13.511 500 HG12 VAL 72 HG12 VAL 72 21.002 -8.385 12.576 501 HG13 VAL 72 HG13 VAL 72 19.331 -8.581 12.052 502 HG21 VAL 72 HG21 VAL 72 20.229 -5.654 13.574 503 HG22 VAL 72 HG22 VAL 72 20.139 -4.564 12.192 504 HG23 VAL 72 HG23 VAL 72 21.646 -5.399 12.559 505 H ALA 73 HN ALA 73 20.813 -6.063 8.147 506 HA ALA 73 HA ALA 73 20.068 -6.835 6.164 507 HB1 ALA 73 HB1 ALA 73 20.639 -9.337 7.580 508 HB2 ALA 73 HB2 ALA 73 21.097 -8.809 5.962 509 HB3 ALA 73 HB3 ALA 73 19.488 -9.470 6.252 510 H CYS 74 HN CYS 74 18.358 -5.949 8.365 511 HA CYS 74 HA CYS 74 16.167 -5.496 8.734 512 HB2 CYS 74 HB2 CYS 74 15.395 -6.997 6.267 513 HB3 CYS 74 HB1 CYS 74 14.679 -5.545 6.953 514 H ALA 75 HN ALA 75 17.281 -8.649 8.621 515 HA ALA 75 HA ALA 75 14.966 -10.171 8.788 516 HB1 ALA 75 HB1 ALA 75 16.624 -11.666 8.693 517 HB2 ALA 75 HB2 ALA 75 16.748 -11.483 10.444 518 HB3 ALA 75 HB3 ALA 75 17.792 -10.536 9.381 519 H ALA 76 HN ALA 76 16.781 -8.628 11.432 520 HA ALA 76 HA ALA 76 15.112 -9.629 13.494 521 HB1 ALA 76 HB1 ALA 76 16.568 -8.648 14.878 522 HB2 ALA 76 HB2 ALA 76 16.443 -7.091 14.065 523 HB3 ALA 76 HB3 ALA 76 17.512 -8.335 13.421 524 H ALA 77 HN ALA 77 14.333 -7.464 11.106 525 HA ALA 77 HA ALA 77 12.340 -6.159 12.839 526 HB1 ALA 77 HB1 ALA 77 12.417 -4.268 11.143 527 HB2 ALA 77 HB2 ALA 77 13.916 -4.993 10.567 528 HB3 ALA 77 HB3 ALA 77 13.793 -4.428 12.233 529 H ILE 78 HN ILE 78 12.884 -7.991 9.954 530 HA ILE 78 HA ILE 78 10.087 -7.529 9.183 531 HB ILE 78 HB ILE 78 12.095 -7.060 7.566 532 HG12 ILE 78 HG12 ILE 78 10.543 -7.577 5.648 533 HG13 ILE 78 HG11 ILE 78 9.537 -8.456 6.792 534 HG21 ILE 78 HG21 ILE 78 12.636 -9.687 7.817 535 HG22 ILE 78 HG22 ILE 78 13.095 -8.694 6.426 536 HG23 ILE 78 HG23 ILE 78 11.629 -9.679 6.368 537 HD11 ILE 78 HD11 ILE 78 8.662 -6.584 7.666 538 HD12 ILE 78 HD12 ILE 78 9.159 -5.890 6.124 539 HD13 ILE 78 HD13 ILE 78 10.178 -5.692 7.546 540 H ALA 79 HN ALA 79 12.527 -10.056 9.516 541 HA ALA 79 HA ALA 79 10.771 -12.218 8.987 542 HB1 ALA 79 HB1 ALA 79 13.156 -12.533 8.795 543 HB2 ALA 79 HB2 ALA 79 12.520 -13.632 10.020 544 HB3 ALA 79 HB3 ALA 79 13.377 -12.169 10.507 545 H GLY 80 HN GLY 80 11.557 -10.442 11.908 546 HA2 GLY 80 HA2 GLY 80 10.209 -12.330 13.629 547 HA3 GLY 80 HA1 GLY 80 10.837 -10.756 14.103 548 H ALA 81 HN ALA 81 9.343 -9.546 11.770 549 HA ALA 81 HA ALA 81 6.945 -8.941 13.204 550 HB1 ALA 81 HB1 ALA 81 8.081 -8.032 10.584 551 HB2 ALA 81 HB2 ALA 81 7.818 -7.105 12.062 552 HB3 ALA 81 HB3 ALA 81 6.444 -7.599 11.074 553 H VAL 82 HN VAL 82 7.827 -11.227 10.806 554 HA VAL 82 HA VAL 82 5.372 -11.565 9.495 555 HB VAL 82 HB VAL 82 7.669 -13.486 9.949 556 HG11 VAL 82 HG11 VAL 82 5.230 -14.308 9.265 557 HG12 VAL 82 HG12 VAL 82 6.700 -15.038 8.629 558 HG13 VAL 82 HG13 VAL 82 5.824 -13.845 7.675 559 HG21 VAL 82 HG21 VAL 82 8.718 -12.490 8.259 560 HG22 VAL 82 HG22 VAL 82 7.545 -11.182 8.413 561 HG23 VAL 82 HG23 VAL 82 7.264 -12.488 7.260 562 H ALA 83 HN ALA 83 6.849 -13.379 12.192 563 HA ALA 83 HA ALA 83 4.627 -15.056 12.656 564 HB1 ALA 83 HB1 ALA 83 6.302 -14.548 14.986 565 HB2 ALA 83 HB2 ALA 83 7.221 -14.941 13.532 566 HB3 ALA 83 HB3 ALA 83 5.985 -16.053 14.123 567 H ALA 84 HN ALA 84 5.553 -11.910 13.906 568 HA ALA 84 HA ALA 84 3.735 -11.788 16.063 569 HB1 ALA 84 HB1 ALA 84 5.362 -10.186 16.255 570 HB2 ALA 84 HB2 ALA 84 4.050 -9.215 15.589 571 HB3 ALA 84 HB3 ALA 84 5.336 -9.797 14.536 572 H CYS 85 HN CYS 85 3.458 -10.881 12.664 573 HA CYS 85 HA CYS 85 0.786 -9.814 13.046 574 HB2 CYS 85 HB2 CYS 85 2.450 -8.860 11.412 575 HB3 CYS 85 HB1 CYS 85 2.195 -10.302 10.431 576 H GLY 86 HN GLY 86 2.257 -12.806 12.069 577 HA2 GLY 86 HA2 GLY 86 1.222 -14.875 11.883 578 HA3 GLY 86 HA1 GLY 86 -0.334 -14.083 12.088 579 H GLY 87 HN GLY 87 2.234 -13.558 9.703 580 HA2 GLY 87 HA2 GLY 87 1.468 -14.898 7.530 581 HA3 GLY 87 HA1 GLY 87 0.242 -13.640 7.587 582 H ILE 88 HN ILE 88 2.783 -14.364 5.900 583 HA ILE 88 HA ILE 88 4.160 -11.808 6.091 584 HB ILE 88 HB ILE 88 5.625 -13.678 5.899 585 HG12 ILE 88 HG12 ILE 88 6.776 -13.183 3.691 586 HG13 ILE 88 HG11 ILE 88 5.428 -12.110 3.327 587 HG21 ILE 88 HG21 ILE 88 3.782 -14.523 3.735 588 HG22 ILE 88 HG22 ILE 88 4.561 -15.475 5.001 589 HG23 ILE 88 HG23 ILE 88 5.485 -14.957 3.589 590 HD11 ILE 88 HD11 ILE 88 6.319 -10.478 4.518 591 HD12 ILE 88 HD12 ILE 88 7.767 -11.471 4.674 592 HD13 ILE 88 HD13 ILE 88 6.522 -11.525 5.922 593 H ASP 89 HN ASP 89 4.057 -10.234 4.652 594 HA ASP 89 HA ASP 89 3.059 -10.497 1.997 595 HB2 ASP 89 HB2 ASP 89 0.928 -10.466 3.387 596 HB3 ASP 89 HB1 ASP 89 1.360 -8.828 3.869 597 H LEU 90 HN LEU 90 2.360 -7.591 3.745 598 HA LEU 90 HA LEU 90 4.925 -6.441 3.680 599 HB2 LEU 90 HB2 LEU 90 4.689 -6.440 1.286 600 HB3 LEU 90 HB1 LEU 90 3.119 -5.670 1.389 601 HG LEU 90 HG LEU 90 4.167 -3.623 2.251 602 HD11 LEU 90 HD11 LEU 90 6.098 -4.258 3.399 603 HD12 LEU 90 HD12 LEU 90 6.719 -3.508 1.922 604 HD13 LEU 90 HD13 LEU 90 6.664 -5.268 2.066 605 HD21 LEU 90 HD21 LEU 90 3.840 -3.625 -0.064 606 HD22 LEU 90 HD22 LEU 90 5.147 -4.775 -0.337 607 HD23 LEU 90 HD23 LEU 90 5.517 -3.121 0.144 608 HA PRO 91 HA PRO 91 1.366 -2.908 4.334 609 HB2 PRO 91 HB2 PRO 91 -0.802 -4.497 5.315 610 HB3 PRO 91 HB1 PRO 91 -0.778 -3.429 3.912 611 HG2 PRO 91 HG2 PRO 91 -0.377 -6.365 4.064 612 HG3 PRO 91 HG1 PRO 91 -1.040 -5.386 2.743 613 HD2 PRO 91 HD2 PRO 91 1.393 -6.424 2.536 614 HD3 PRO 91 HD1 PRO 91 1.074 -4.763 1.977 615 H CYS 92 HN CYS 92 0.828 -5.856 6.284 616 HA CYS 92 HA CYS 92 1.072 -4.303 8.686 617 HB2 CYS 92 HB2 CYS 92 -0.625 -5.916 8.755 618 HB3 CYS 92 HB1 CYS 92 0.425 -7.177 8.118 619 H VAL 93 HN VAL 93 3.109 -6.562 6.937 620 HA VAL 93 HA VAL 93 4.893 -7.092 9.064 621 HB VAL 93 HB VAL 93 5.660 -7.251 6.169 622 HG11 VAL 93 HG11 VAL 93 7.405 -7.867 7.599 623 HG12 VAL 93 HG12 VAL 93 6.685 -9.392 7.082 624 HG13 VAL 93 HG13 VAL 93 6.319 -8.740 8.679 625 HG21 VAL 93 HG21 VAL 93 3.965 -8.613 5.702 626 HG22 VAL 93 HG22 VAL 93 3.358 -8.473 7.352 627 HG23 VAL 93 HG23 VAL 93 4.543 -9.715 6.950 628 H LEU 94 HN LEU 94 5.108 -4.922 6.245 629 HA LEU 94 HA LEU 94 7.648 -3.871 6.824 630 HB2 LEU 94 HB2 LEU 94 6.253 -3.740 4.680 631 HB3 LEU 94 HB1 LEU 94 5.468 -2.367 5.426 632 HG LEU 94 HG LEU 94 7.340 -1.897 3.778 633 HD11 LEU 94 HD11 LEU 94 7.108 -0.698 6.492 634 HD12 LEU 94 HD12 LEU 94 6.684 -0.021 4.920 635 HD13 LEU 94 HD13 LEU 94 8.376 -0.143 5.399 636 HD21 LEU 94 HD21 LEU 94 8.774 -3.476 5.714 637 HD22 LEU 94 HD22 LEU 94 9.509 -1.884 5.521 638 HD23 LEU 94 HD23 LEU 94 9.276 -2.923 4.115 639 H ALA 95 HN ALA 95 4.423 -2.956 7.834 640 HA ALA 95 HA ALA 95 4.844 -0.420 8.845 641 HB1 ALA 95 HB1 ALA 95 2.732 -0.579 9.528 642 HB2 ALA 95 HB2 ALA 95 3.074 -1.981 10.543 643 HB3 ALA 95 HB3 ALA 95 2.745 -2.196 8.823 644 H ALA 96 HN ALA 96 5.689 -3.503 10.322 645 HA ALA 96 HA ALA 96 6.341 -2.288 12.865 646 HB1 ALA 96 HB1 ALA 96 5.902 -4.375 13.489 647 HB2 ALA 96 HB2 ALA 96 7.480 -4.818 12.832 648 HB3 ALA 96 HB3 ALA 96 6.030 -4.972 11.835 649 H LEU 97 HN LEU 97 7.901 -2.776 9.894 650 HA LEU 97 HA LEU 97 10.593 -2.847 10.931 651 HB2 LEU 97 HB2 LEU 97 10.113 -4.022 8.884 652 HB3 LEU 97 HB1 LEU 97 9.461 -2.574 8.144 653 HG LEU 97 HG LEU 97 12.307 -2.447 8.985 654 HD11 LEU 97 HD11 LEU 97 13.167 -3.894 7.470 655 HD12 LEU 97 HD12 LEU 97 11.815 -3.693 6.353 656 HD13 LEU 97 HD13 LEU 97 11.643 -4.733 7.767 657 HD21 LEU 97 HD21 LEU 97 12.151 -0.638 7.705 658 HD22 LEU 97 HD22 LEU 97 10.500 -1.065 7.256 659 HD23 LEU 97 HD23 LEU 97 11.857 -1.673 6.307 660 H LYS 98 HN LYS 98 8.286 -0.460 10.466 661 HA LYS 98 HA LYS 98 9.868 1.688 9.534 662 HB2 LYS 98 HB2 LYS 98 7.335 1.679 11.181 663 HB3 LYS 98 HB1 LYS 98 8.045 3.116 10.458 664 HG2 LYS 98 HG2 LYS 98 7.540 2.415 8.281 665 HG3 LYS 98 HG1 LYS 98 7.281 0.742 8.784 666 HD2 LYS 98 HD2 LYS 98 5.173 1.957 8.281 667 HD3 LYS 98 HD1 LYS 98 5.249 1.354 9.939 668 HE2 LYS 98 HE2 LYS 98 6.094 3.665 10.579 669 HE3 LYS 98 HE1 LYS 98 5.626 4.176 8.958 670 HZ1 LYS 98 HZ1 LYS 98 3.984 4.460 10.910 671 HZ2 LYS 98 HZ2 LYS 98 3.656 2.818 10.677 672 HZ3 LYS 98 HZ3 LYS 98 3.401 3.921 9.414 673 H ALA 99 HN ALA 99 11.746 1.173 10.905 674 HA ALA 99 HA ALA 99 11.924 2.994 13.137 675 HB1 ALA 99 HB1 ALA 99 13.127 0.997 14.422 676 HB2 ALA 99 HB2 ALA 99 11.955 0.038 13.515 677 HB3 ALA 99 HB3 ALA 99 11.400 1.310 14.605 678 H ALA 100 HN ALA 100 13.329 0.488 11.133 679 HA ALA 100 HA ALA 100 15.919 1.895 11.170 680 HB1 ALA 100 HB1 ALA 100 16.324 -0.569 9.946 681 HB2 ALA 100 HB2 ALA 100 15.227 -0.923 11.280 682 HB3 ALA 100 HB3 ALA 100 16.770 -0.132 11.595 683 H GLU 101 HN GLU 101 14.474 3.286 9.728 684 HA GLU 101 HA GLU 101 13.651 2.509 7.192 685 HB2 GLU 101 HB2 GLU 101 14.633 5.245 8.005 686 HB3 GLU 101 HB1 GLU 101 13.548 4.871 6.673 687 HG2 GLU 101 HG2 GLU 101 11.849 4.119 8.238 688 HG3 GLU 101 HG1 GLU 101 12.939 4.432 9.590 689 H GLY 102 HN GLY 102 14.518 3.234 5.101 690 HA2 GLY 102 HA2 GLY 102 16.267 3.666 3.607 691 HA3 GLY 102 HA1 GLY 102 17.399 3.604 4.952 692 H CYS 103 HN CYS 103 16.837 1.144 6.033 693 HA CYS 103 HA CYS 103 18.159 -0.562 4.139 694 HB2 CYS 103 HB2 CYS 103 17.138 -1.109 6.929 695 HB3 CYS 103 HB1 CYS 103 18.095 -2.237 5.977 696 H ALA 104 HN ALA 104 14.948 0.195 4.611 697 HA ALA 104 HA ALA 104 13.619 -2.262 4.461 698 HB1 ALA 104 HB1 ALA 104 12.297 -0.129 2.985 699 HB2 ALA 104 HB2 ALA 104 12.853 0.367 4.584 700 HB3 ALA 104 HB3 ALA 104 11.769 -1.016 4.417 701 H SER 105 HN SER 105 15.556 -0.772 2.096 702 HA SER 105 HA SER 105 14.253 -1.565 -0.270 703 HB2 SER 105 HB2 SER 105 17.229 -1.245 0.146 704 HB3 SER 105 HB1 SER 105 16.338 -1.078 -1.369 705 HG SER 105 HG SER 105 16.134 0.942 -0.848 706 H CYS 106 HN CYS 106 16.243 -3.313 1.991 707 HA CYS 106 HA CYS 106 17.257 -5.417 0.538 708 HB2 CYS 106 HB2 CYS 106 16.974 -6.769 2.640 709 HB3 CYS 106 HB1 CYS 106 17.735 -5.198 2.899 710 H PHE 107 HN PHE 107 14.128 -5.394 2.179 711 HA PHE 107 HA PHE 107 13.199 -7.776 0.874 712 HB2 PHE 107 HB2 PHE 107 12.604 -7.353 3.162 713 HB3 PHE 107 HB1 PHE 107 11.988 -5.760 2.772 714 HD1 PHE 107 HD2 PHE 107 10.862 -8.124 0.342 715 HD2 PHE 107 HD1 PHE 107 10.199 -6.702 4.291 716 HE1 PHE 107 HE2 PHE 107 8.570 -9.022 0.279 717 HE2 PHE 107 HE1 PHE 107 7.930 -7.598 4.250 718 HZ PHE 107 HZ PHE 107 7.092 -8.749 2.232 719 H CYS 108 HN CYS 108 12.157 -4.366 0.911 720 HA CYS 108 HA CYS 108 10.378 -4.799 -1.310 721 HB2 CYS 108 HB2 CYS 108 11.175 -2.262 0.112 722 HB3 CYS 108 HB1 CYS 108 9.909 -2.389 -1.105 723 H GLU 109 HN GLU 109 12.995 -5.396 -2.153 724 HA GLU 109 HA GLU 109 14.073 -3.105 -3.521 725 HB2 GLU 109 HB2 GLU 109 15.369 -5.161 -2.728 726 HB3 GLU 109 HB1 GLU 109 14.675 -6.009 -4.098 727 HG2 GLU 109 HG2 GLU 109 16.939 -5.193 -4.552 728 HG3 GLU 109 HG1 GLU 109 15.739 -4.507 -5.645 729 H ASP 110 HN ASP 110 12.713 -6.189 -4.700 730 HA ASP 110 HA ASP 110 12.013 -4.887 -7.209 731 HB2 ASP 110 HB2 ASP 110 11.478 -7.142 -8.019 732 HB3 ASP 110 HB1 ASP 110 13.101 -7.075 -7.348 733 H HIS 111 HN HIS 111 10.727 -4.873 -4.357 734 HA HIS 111 HA HIS 111 7.929 -4.954 -5.297 735 HB2 HIS 111 HB2 HIS 111 8.736 -5.463 -2.430 736 HB3 HIS 111 HB1 HIS 111 7.191 -5.793 -3.198 737 HD2 HIS 111 HD2 HIS 111 10.320 -7.629 -2.183 738 HE1 HIS 111 HE1 HIS 111 8.420 -10.070 -5.098 739 HE2 HIS 111 HE2 HIS 111 10.331 -9.885 -3.463 740 H CYS 112 HN CYS 112 8.362 -2.637 -5.777 741 HA CYS 112 HA CYS 112 8.843 -1.007 -3.400 742 HB2 CYS 112 HB2 CYS 112 10.061 -0.739 -5.682 743 HB3 CYS 112 HB1 CYS 112 8.602 0.116 -6.169 744 H HIS 113 HN HIS 113 6.199 -2.253 -3.715 745 HA HIS 113 HA HIS 113 4.672 0.225 -3.842 746 HB2 HIS 113 HB2 HIS 113 2.898 -0.722 -4.987 747 HB3 HIS 113 HB1 HIS 113 4.271 -1.503 -5.738 748 HD2 HIS 113 HD2 HIS 113 0.987 -2.591 -5.197 749 HE1 HIS 113 HE1 HIS 113 3.182 -5.883 -3.656 750 HE2 HIS 113 HE2 HIS 113 0.947 -5.106 -4.547 751 H GLY 114 HN GLY 114 2.227 -0.978 -2.797 752 HA2 GLY 114 HA2 GLY 114 1.263 -1.517 -0.773 753 HA3 GLY 114 HA1 GLY 114 2.757 -2.349 -0.366 754 H VAL 115 HN VAL 115 2.898 -1.617 1.762 755 HA VAL 115 HA VAL 115 2.693 1.195 2.340 756 HB VAL 115 HB VAL 115 3.533 0.498 4.639 757 HG11 VAL 115 HG11 VAL 115 1.407 -0.622 5.247 758 HG12 VAL 115 HG12 VAL 115 1.046 -0.811 3.531 759 HG13 VAL 115 HG13 VAL 115 1.166 0.801 4.238 760 HG21 VAL 115 HG21 VAL 115 4.708 -1.504 4.203 761 HG22 VAL 115 HG22 VAL 115 3.347 -2.198 3.322 762 HG23 VAL 115 HG23 VAL 115 3.251 -1.984 5.068 763 H CYS 116 HN CYS 116 5.024 -0.601 0.871 764 HA CYS 116 HA CYS 116 7.283 0.670 2.150 765 HB2 CYS 116 HB2 CYS 116 6.932 -1.526 0.285 766 HB3 CYS 116 HB1 CYS 116 8.198 -0.420 -0.249 767 H LYS 117 HN LYS 117 5.164 1.193 -0.526 768 HA LYS 117 HA LYS 117 6.890 3.233 -1.679 769 HB2 LYS 117 HB2 LYS 117 5.171 3.582 -3.335 770 HB3 LYS 117 HB1 LYS 117 5.444 1.856 -3.163 771 HG2 LYS 117 HG2 LYS 117 3.422 1.616 -1.861 772 HG3 LYS 117 HG1 LYS 117 3.177 3.365 -1.868 773 HD2 LYS 117 HD2 LYS 117 3.267 1.671 -4.367 774 HD3 LYS 117 HD1 LYS 117 1.775 2.108 -3.527 775 HE2 LYS 117 HE2 LYS 117 3.786 4.020 -4.715 776 HE3 LYS 117 HE1 LYS 117 2.207 3.624 -5.395 777 HZ1 LYS 117 HZ1 LYS 117 1.861 4.463 -2.735 778 HZ2 LYS 117 HZ2 LYS 117 1.310 5.213 -4.152 779 HZ3 LYS 117 HZ3 LYS 117 2.841 5.608 -3.523 780 H ASP 118 HN ASP 118 4.884 2.981 0.922 781 HA ASP 118 HA ASP 118 3.534 5.478 0.929 782 HB2 ASP 118 HB2 ASP 118 3.053 3.494 2.448 783 HB3 ASP 118 HB1 ASP 118 4.500 3.922 3.349 784 H LEU 119 HN LEU 119 6.606 4.316 2.184 785 HA LEU 119 HA LEU 119 7.478 6.998 2.908 786 HB2 LEU 119 HB2 LEU 119 9.039 4.405 2.961 787 HB3 LEU 119 HB1 LEU 119 9.490 5.913 3.730 788 HG LEU 119 HG LEU 119 7.129 4.196 4.507 789 HD11 LEU 119 HD11 LEU 119 9.650 3.545 5.020 790 HD12 LEU 119 HD12 LEU 119 8.359 3.305 6.199 791 HD13 LEU 119 HD13 LEU 119 9.416 4.713 6.319 792 HD21 LEU 119 HD21 LEU 119 6.931 5.707 6.409 793 HD22 LEU 119 HD22 LEU 119 6.729 6.572 4.887 794 HD23 LEU 119 HD23 LEU 119 8.248 6.691 5.775 795 H HIS 120 HN HIS 120 7.899 4.529 0.520 796 HA HIS 120 HA HIS 120 8.860 4.395 -1.511 797 HB2 HIS 120 HB2 HIS 120 7.601 6.857 -1.421 798 HB3 HIS 120 HB1 HIS 120 9.215 7.244 -2.014 799 HD2 HIS 120 HD2 HIS 120 5.972 6.424 -3.526 800 HE1 HIS 120 HE1 HIS 120 8.794 4.599 -6.120 801 HE2 HIS 120 HE2 HIS 120 6.429 5.461 -5.887 802 H LEU 121 HN LEU 121 10.788 3.592 -0.372 803 HA LEU 121 HA LEU 121 13.049 5.336 -0.919 804 HB2 LEU 121 HB2 LEU 121 13.980 3.883 1.167 805 HB3 LEU 121 HB1 LEU 121 13.368 5.519 1.283 806 HG LEU 121 HG LEU 121 11.104 4.506 1.823 807 HD11 LEU 121 HD11 LEU 121 12.379 2.037 2.766 808 HD12 LEU 121 HD12 LEU 121 12.200 2.157 1.013 809 HD13 LEU 121 HD13 LEU 121 10.784 2.300 2.058 810 HD21 LEU 121 HD21 LEU 121 13.296 5.097 3.422 811 HD22 LEU 121 HD22 LEU 121 12.701 3.555 4.033 812 HD23 LEU 121 HD23 LEU 121 11.618 4.941 3.937 813 H CYS 122 HN CYS 122 11.760 2.954 -2.291 814 HA CYS 122 HA CYS 122 14.058 1.128 -2.218 815 HB2 CYS 122 HB2 CYS 122 12.291 -0.154 -3.826 816 HB3 CYS 122 HB1 CYS 122 12.398 -0.397 -2.091 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -31.699 7.406 -3.751 2 H2 ALA 1 HT2 ALA 1 -31.285 6.200 -4.909 3 H3 ALA 1 HT3 ALA 1 -30.144 7.413 -4.473 4 HA ALA 1 HA ALA 1 -30.810 6.333 -2.117 5 HB1 ALA 1 HB1 ALA 1 -30.202 3.954 -3.789 6 HB2 ALA 1 HB2 ALA 1 -31.872 4.526 -3.739 7 HB3 ALA 1 HB3 ALA 1 -31.047 4.073 -2.247 8 H MET 2 HN MET 2 -28.965 6.148 -1.011 9 HA MET 2 HA MET 2 -26.439 5.855 -2.501 10 HB2 MET 2 HB2 MET 2 -26.994 7.762 -0.212 11 HB3 MET 2 HB1 MET 2 -25.404 7.456 -0.895 12 HG2 MET 2 HG2 MET 2 -26.155 8.338 -3.046 13 HG3 MET 2 HG1 MET 2 -27.752 8.641 -2.363 14 HE1 MET 2 HE1 MET 2 -24.287 9.306 -0.391 15 HE2 MET 2 HE2 MET 2 -23.881 10.830 -1.178 16 HE3 MET 2 HE3 MET 2 -23.993 9.350 -2.129 17 H GLY 3 HN GLY 3 -24.606 5.264 -0.951 18 HA2 GLY 3 HA2 GLY 3 -25.305 3.999 1.522 19 HA3 GLY 3 HA1 GLY 3 -25.060 2.831 0.230 20 H LYS 4 HN LYS 4 -23.499 2.940 2.558 21 HA LYS 4 HA LYS 4 -21.041 4.320 2.010 22 HB2 LYS 4 HB2 LYS 4 -21.542 2.096 4.000 23 HB3 LYS 4 HB1 LYS 4 -20.200 3.234 4.008 24 HG2 LYS 4 HG2 LYS 4 -21.830 5.073 4.347 25 HG3 LYS 4 HG1 LYS 4 -23.106 3.860 4.482 26 HD2 LYS 4 HD2 LYS 4 -20.670 4.034 6.259 27 HD3 LYS 4 HD1 LYS 4 -22.284 4.611 6.685 28 HE2 LYS 4 HE2 LYS 4 -23.136 2.301 6.383 29 HE3 LYS 4 HE1 LYS 4 -21.484 1.762 6.080 30 HZ1 LYS 4 HZ1 LYS 4 -22.772 2.435 8.582 31 HZ2 LYS 4 HZ2 LYS 4 -21.210 3.066 8.411 32 HZ3 LYS 4 HZ3 LYS 4 -21.469 1.395 8.279 33 H CYS 5 HN CYS 5 -21.825 0.861 2.301 34 HA CYS 5 HA CYS 5 -19.818 0.320 0.209 35 HB2 CYS 5 HB2 CYS 5 -19.158 -0.423 2.557 36 HB3 CYS 5 HB1 CYS 5 -20.490 -1.571 2.472 37 H SER 6 HN SER 6 -22.717 0.818 0.109 38 HA SER 6 HA SER 6 -23.526 -1.685 -1.199 39 HB2 SER 6 HB2 SER 6 -25.908 -1.000 -0.409 40 HB3 SER 6 HB1 SER 6 -24.820 -1.751 0.760 41 HG SER 6 HG SER 6 -25.964 0.257 1.418 42 H VAL 7 HN VAL 7 -25.789 -1.022 -2.410 43 HA VAL 7 HA VAL 7 -26.746 0.048 -4.160 44 HB VAL 7 HB VAL 7 -25.222 2.490 -3.231 45 HG11 VAL 7 HG11 VAL 7 -27.526 2.144 -5.137 46 HG12 VAL 7 HG12 VAL 7 -25.958 2.893 -5.446 47 HG13 VAL 7 HG13 VAL 7 -27.121 3.688 -4.385 48 HG21 VAL 7 HG21 VAL 7 -26.944 1.204 -1.691 49 HG22 VAL 7 HG22 VAL 7 -28.117 2.069 -2.684 50 HG23 VAL 7 HG23 VAL 7 -26.914 2.967 -1.758 51 H LEU 8 HN LEU 8 -23.613 1.765 -4.171 52 HA LEU 8 HA LEU 8 -23.268 1.065 -6.961 53 HB2 LEU 8 HB2 LEU 8 -22.658 3.318 -6.016 54 HB3 LEU 8 HB1 LEU 8 -21.353 2.536 -5.142 55 HG LEU 8 HG LEU 8 -20.325 1.857 -7.263 56 HD11 LEU 8 HD11 LEU 8 -22.887 2.814 -8.313 57 HD12 LEU 8 HD12 LEU 8 -21.762 1.626 -8.968 58 HD13 LEU 8 HD13 LEU 8 -21.474 3.347 -9.225 59 HD21 LEU 8 HD21 LEU 8 -20.291 4.330 -6.141 60 HD22 LEU 8 HD22 LEU 8 -20.756 4.704 -7.802 61 HD23 LEU 8 HD23 LEU 8 -19.264 3.818 -7.480 62 H LYS 9 HN LYS 9 -22.038 0.160 -3.821 63 HA LYS 9 HA LYS 9 -20.054 -1.611 -4.977 64 HB2 LYS 9 HB2 LYS 9 -20.802 -0.883 -2.153 65 HB3 LYS 9 HB1 LYS 9 -19.716 -2.207 -2.514 66 HG2 LYS 9 HG2 LYS 9 -18.225 -0.508 -2.149 67 HG3 LYS 9 HG1 LYS 9 -18.424 -0.408 -3.897 68 HD2 LYS 9 HD2 LYS 9 -20.157 1.365 -3.510 69 HD3 LYS 9 HD1 LYS 9 -19.714 1.332 -1.800 70 HE2 LYS 9 HE2 LYS 9 -17.355 1.835 -2.493 71 HE3 LYS 9 HE1 LYS 9 -17.948 2.065 -4.137 72 HZ1 LYS 9 HZ1 LYS 9 -18.068 3.844 -1.890 73 HZ2 LYS 9 HZ2 LYS 9 -19.580 3.645 -2.629 74 HZ3 LYS 9 HZ3 LYS 9 -18.254 4.172 -3.546 75 H LYS 10 HN LYS 10 -23.038 -1.835 -5.250 76 HA LYS 10 HA LYS 10 -24.007 -4.110 -3.868 77 HB2 LYS 10 HB2 LYS 10 -25.469 -2.445 -4.901 78 HB3 LYS 10 HB1 LYS 10 -24.819 -2.825 -6.487 79 HG2 LYS 10 HG2 LYS 10 -25.790 -5.091 -6.306 80 HG3 LYS 10 HG1 LYS 10 -26.500 -4.625 -4.756 81 HD2 LYS 10 HD2 LYS 10 -28.141 -4.402 -6.550 82 HD3 LYS 10 HD1 LYS 10 -27.743 -2.824 -5.867 83 HE2 LYS 10 HE2 LYS 10 -26.054 -2.606 -7.762 84 HE3 LYS 10 HE1 LYS 10 -26.856 -3.996 -8.496 85 HZ1 LYS 10 HZ1 LYS 10 -27.958 -1.304 -7.963 86 HZ2 LYS 10 HZ2 LYS 10 -28.981 -2.628 -8.238 87 HZ3 LYS 10 HZ3 LYS 10 -27.884 -2.133 -9.437 88 H VAL 11 HN VAL 11 -21.787 -3.745 -6.398 89 HA VAL 11 HA VAL 11 -22.240 -6.394 -7.519 90 HB VAL 11 HB VAL 11 -19.925 -4.640 -8.275 91 HG11 VAL 11 HG11 VAL 11 -20.731 -7.080 -9.156 92 HG12 VAL 11 HG12 VAL 11 -19.750 -5.946 -10.086 93 HG13 VAL 11 HG13 VAL 11 -21.496 -6.010 -10.332 94 HG21 VAL 11 HG21 VAL 11 -22.764 -4.018 -8.653 95 HG22 VAL 11 HG22 VAL 11 -21.783 -3.937 -10.115 96 HG23 VAL 11 HG23 VAL 11 -21.347 -2.964 -8.710 97 H ALA 12 HN ALA 12 -21.514 -6.183 -4.790 98 HA ALA 12 HA ALA 12 -20.187 -7.125 -3.215 99 HB1 ALA 12 HB1 ALA 12 -18.420 -8.767 -4.700 100 HB2 ALA 12 HB2 ALA 12 -20.007 -8.843 -5.468 101 HB3 ALA 12 HB3 ALA 12 -19.840 -9.241 -3.758 102 H CYS 13 HN CYS 13 -19.426 -4.679 -3.964 103 HA CYS 13 HA CYS 13 -17.782 -3.138 -4.028 104 HB2 CYS 13 HB2 CYS 13 -16.004 -3.373 -2.447 105 HB3 CYS 13 HB1 CYS 13 -17.450 -4.102 -1.758 106 H ALA 14 HN ALA 14 -17.474 -5.606 -6.033 107 HA ALA 14 HA ALA 14 -14.699 -5.622 -6.621 108 HB1 ALA 14 HB1 ALA 14 -15.787 -6.457 -8.938 109 HB2 ALA 14 HB2 ALA 14 -17.140 -6.732 -7.842 110 HB3 ALA 14 HB3 ALA 14 -15.581 -7.492 -7.523 111 H ALA 15 HN ALA 15 -17.395 -3.676 -7.796 112 HA ALA 15 HA ALA 15 -15.941 -2.542 -9.969 113 HB1 ALA 15 HB1 ALA 15 -18.250 -2.400 -10.223 114 HB2 ALA 15 HB2 ALA 15 -17.777 -0.750 -9.810 115 HB3 ALA 15 HB3 ALA 15 -18.492 -1.798 -8.582 116 H ALA 16 HN ALA 16 -15.558 -2.213 -6.694 117 HA ALA 16 HA ALA 16 -14.438 0.492 -6.976 118 HB1 ALA 16 HB1 ALA 16 -15.635 1.017 -5.187 119 HB2 ALA 16 HB2 ALA 16 -14.633 -0.089 -4.249 120 HB3 ALA 16 HB3 ALA 16 -16.141 -0.658 -4.966 121 H ILE 17 HN ILE 17 -13.833 -2.792 -5.787 122 HA ILE 17 HA ILE 17 -11.144 -2.007 -4.991 123 HB ILE 17 HB ILE 17 -12.513 -3.499 -3.547 124 HG12 ILE 17 HG12 ILE 17 -10.515 -5.188 -3.260 125 HG13 ILE 17 HG11 ILE 17 -9.785 -4.192 -4.517 126 HG21 ILE 17 HG21 ILE 17 -13.571 -4.927 -5.130 127 HG22 ILE 17 HG22 ILE 17 -12.617 -5.882 -3.994 128 HG23 ILE 17 HG23 ILE 17 -12.007 -5.586 -5.625 129 HD11 ILE 17 HD11 ILE 17 -9.081 -3.448 -2.338 130 HD12 ILE 17 HD12 ILE 17 -10.757 -3.214 -1.846 131 HD13 ILE 17 HD13 ILE 17 -10.059 -2.209 -3.118 132 H ALA 18 HN ALA 18 -12.660 -4.380 -7.138 133 HA ALA 18 HA ALA 18 -10.253 -5.283 -8.300 134 HB1 ALA 18 HB1 ALA 18 -12.395 -6.517 -8.440 135 HB2 ALA 18 HB2 ALA 18 -11.614 -6.315 -10.010 136 HB3 ALA 18 HB3 ALA 18 -12.990 -5.300 -9.570 137 H GLY 19 HN GLY 19 -12.333 -2.559 -8.961 138 HA2 GLY 19 HA2 GLY 19 -11.141 -1.877 -11.484 139 HA3 GLY 19 HA1 GLY 19 -12.181 -0.842 -10.506 140 H ALA 20 HN ALA 20 -10.410 -1.359 -8.153 141 HA ALA 20 HA ALA 20 -8.651 0.859 -8.531 142 HB1 ALA 20 HB1 ALA 20 -8.142 0.650 -6.212 143 HB2 ALA 20 HB2 ALA 20 -8.753 -1.006 -6.171 144 HB3 ALA 20 HB3 ALA 20 -9.869 0.343 -6.397 145 H VAL 21 HN VAL 21 -8.434 -2.579 -8.646 146 HA VAL 21 HA VAL 21 -5.682 -2.941 -8.264 147 HB VAL 21 HB VAL 21 -7.618 -4.552 -9.946 148 HG11 VAL 21 HG11 VAL 21 -5.213 -4.974 -10.353 149 HG12 VAL 21 HG12 VAL 21 -6.094 -6.367 -9.731 150 HG13 VAL 21 HG13 VAL 21 -5.054 -5.430 -8.661 151 HG21 VAL 21 HG21 VAL 21 -8.184 -4.157 -7.480 152 HG22 VAL 21 HG22 VAL 21 -6.792 -5.180 -7.131 153 HG23 VAL 21 HG23 VAL 21 -8.147 -5.822 -8.058 154 H ALA 22 HN ALA 22 -7.667 -2.575 -11.180 155 HA ALA 22 HA ALA 22 -5.512 -2.573 -13.019 156 HB1 ALA 22 HB1 ALA 22 -7.127 -1.883 -14.656 157 HB2 ALA 22 HB2 ALA 22 -8.250 -1.368 -13.396 158 HB3 ALA 22 HB3 ALA 22 -7.877 -3.080 -13.600 159 H ALA 23 HN ALA 23 -7.107 -0.094 -11.143 160 HA ALA 23 HA ALA 23 -6.106 2.146 -12.554 161 HB1 ALA 23 HB1 ALA 23 -6.568 3.235 -10.187 162 HB2 ALA 23 HB2 ALA 23 -7.432 1.719 -9.936 163 HB3 ALA 23 HB3 ALA 23 -7.877 2.777 -11.275 164 H CYS 24 HN CYS 24 -4.924 0.374 -9.715 165 HA CYS 24 HA CYS 24 -2.652 2.155 -9.447 166 HB2 CYS 24 HB2 CYS 24 -3.888 1.034 -7.515 167 HB3 CYS 24 HB1 CYS 24 -3.048 -0.441 -7.983 168 H GLY 25 HN GLY 25 -3.398 -0.814 -11.034 169 HA2 GLY 25 HA2 GLY 25 -1.910 -1.454 -12.850 170 HA3 GLY 25 HA1 GLY 25 -0.561 -1.009 -11.817 171 H GLY 26 HN GLY 26 -1.483 -2.279 -9.449 172 HA2 GLY 26 HA2 GLY 26 -1.583 -5.107 -10.241 173 HA3 GLY 26 HA1 GLY 26 -0.324 -4.558 -9.143 174 H ILE 27 HN ILE 27 -1.982 -6.551 -8.348 175 HA ILE 27 HA ILE 27 -4.027 -5.308 -6.672 176 HB ILE 27 HB ILE 27 -4.866 -7.224 -7.790 177 HG12 ILE 27 HG12 ILE 27 -5.192 -8.868 -5.825 178 HG13 ILE 27 HG11 ILE 27 -4.213 -7.728 -4.901 179 HG21 ILE 27 HG21 ILE 27 -2.487 -8.756 -6.751 180 HG22 ILE 27 HG22 ILE 27 -2.772 -8.269 -8.424 181 HG23 ILE 27 HG23 ILE 27 -3.839 -9.444 -7.653 182 HD11 ILE 27 HD11 ILE 27 -5.828 -5.974 -5.309 183 HD12 ILE 27 HD12 ILE 27 -6.600 -7.377 -4.568 184 HD13 ILE 27 HD13 ILE 27 -6.795 -7.072 -6.296 185 H ASP 28 HN ASP 28 -3.880 -5.123 -4.541 186 HA ASP 28 HA ASP 28 -2.155 -6.680 -2.898 187 HB2 ASP 28 HB2 ASP 28 -0.687 -4.830 -4.058 188 HB3 ASP 28 HB1 ASP 28 -1.456 -3.756 -2.897 189 H LEU 29 HN LEU 29 -2.442 -3.496 -1.749 190 HA LEU 29 HA LEU 29 -5.170 -3.490 -1.021 191 HB2 LEU 29 HB2 LEU 29 -4.624 -5.254 0.493 192 HB3 LEU 29 HB1 LEU 29 -3.249 -4.365 1.125 193 HG LEU 29 HG LEU 29 -4.730 -2.733 2.158 194 HD11 LEU 29 HD11 LEU 29 -6.556 -2.621 0.635 195 HD12 LEU 29 HD12 LEU 29 -7.199 -3.189 2.177 196 HD13 LEU 29 HD13 LEU 29 -6.927 -4.331 0.859 197 HD21 LEU 29 HD21 LEU 29 -5.074 -5.633 2.721 198 HD22 LEU 29 HD22 LEU 29 -6.077 -4.478 3.597 199 HD23 LEU 29 HD23 LEU 29 -4.320 -4.374 3.698 200 HA PRO 30 HA PRO 30 -2.685 0.030 1.511 201 HB2 PRO 30 HB2 PRO 30 -0.350 -0.036 -0.346 202 HB3 PRO 30 HB1 PRO 30 -0.422 0.420 1.360 203 HG2 PRO 30 HG2 PRO 30 0.525 -1.957 0.613 204 HG3 PRO 30 HG1 PRO 30 -0.449 -1.777 2.084 205 HD2 PRO 30 HD2 PRO 30 -1.175 -2.962 -0.537 206 HD3 PRO 30 HD1 PRO 30 -1.781 -3.345 1.085 207 H CYS 31 HN CYS 31 -1.851 -0.207 -1.970 208 HA CYS 31 HA CYS 31 -2.704 2.503 -2.365 209 HB2 CYS 31 HB2 CYS 31 -0.848 1.891 -3.693 210 HB3 CYS 31 HB1 CYS 31 -1.609 0.393 -4.215 211 H VAL 32 HN VAL 32 -4.027 -0.687 -2.951 212 HA VAL 32 HA VAL 32 -6.114 0.040 -4.684 213 HB VAL 32 HB VAL 32 -6.296 -2.227 -2.713 214 HG11 VAL 32 HG11 VAL 32 -7.974 -1.446 -4.650 215 HG12 VAL 32 HG12 VAL 32 -7.792 -3.120 -4.123 216 HG13 VAL 32 HG13 VAL 32 -6.939 -2.547 -5.558 217 HG21 VAL 32 HG21 VAL 32 -5.098 -3.221 -5.037 218 HG22 VAL 32 HG22 VAL 32 -4.375 -3.089 -3.433 219 HG23 VAL 32 HG23 VAL 32 -4.172 -1.785 -4.603 220 H LEU 33 HN LEU 33 -5.716 0.206 -1.241 221 HA LEU 33 HA LEU 33 -8.388 0.405 -0.397 222 HB2 LEU 33 HB2 LEU 33 -6.194 0.114 0.939 223 HB3 LEU 33 HB1 LEU 33 -6.081 1.858 0.879 224 HG LEU 33 HG LEU 33 -7.022 0.884 3.002 225 HD11 LEU 33 HD11 LEU 33 -8.743 2.822 1.474 226 HD12 LEU 33 HD12 LEU 33 -7.352 3.213 2.489 227 HD13 LEU 33 HD13 LEU 33 -8.817 2.545 3.213 228 HD21 LEU 33 HD21 LEU 33 -8.533 -0.665 1.395 229 HD22 LEU 33 HD22 LEU 33 -9.677 0.622 1.777 230 HD23 LEU 33 HD23 LEU 33 -8.925 -0.304 3.075 231 H ALA 34 HN ALA 34 -6.092 2.820 -1.554 232 HA ALA 34 HA ALA 34 -7.510 5.147 -0.940 233 HB1 ALA 34 HB1 ALA 34 -5.189 4.454 -2.444 234 HB2 ALA 34 HB2 ALA 34 -5.630 6.001 -1.722 235 HB3 ALA 34 HB3 ALA 34 -6.154 5.612 -3.361 236 H ALA 35 HN ALA 35 -7.609 3.202 -3.925 237 HA ALA 35 HA ALA 35 -9.567 4.945 -5.107 238 HB1 ALA 35 HB1 ALA 35 -7.783 3.091 -6.112 239 HB2 ALA 35 HB2 ALA 35 -9.028 3.948 -7.020 240 HB3 ALA 35 HB3 ALA 35 -9.360 2.343 -6.370 241 H LEU 36 HN LEU 36 -9.698 2.414 -2.890 242 HA LEU 36 HA LEU 36 -12.268 1.338 -3.566 243 HB2 LEU 36 HB2 LEU 36 -10.628 0.064 -2.244 244 HB3 LEU 36 HB1 LEU 36 -10.707 1.272 -0.974 245 HG LEU 36 HG LEU 36 -13.192 0.675 -0.793 246 HD11 LEU 36 HD11 LEU 36 -12.267 -1.825 -2.182 247 HD12 LEU 36 HD12 LEU 36 -13.240 -0.574 -2.954 248 HD13 LEU 36 HD13 LEU 36 -13.883 -1.466 -1.575 249 HD21 LEU 36 HD21 LEU 36 -11.573 -1.682 -0.036 250 HD22 LEU 36 HD22 LEU 36 -12.697 -0.719 0.922 251 HD23 LEU 36 HD23 LEU 36 -11.076 -0.110 0.595 252 H LYS 37 HN LYS 37 -11.070 3.520 -1.038 253 HA LYS 37 HA LYS 37 -13.320 5.252 -1.202 254 HB2 LYS 37 HB2 LYS 37 -14.290 3.314 0.096 255 HB3 LYS 37 HB1 LYS 37 -13.108 3.646 1.355 256 HG2 LYS 37 HG2 LYS 37 -14.069 5.999 1.427 257 HG3 LYS 37 HG1 LYS 37 -15.396 5.365 0.452 258 HD2 LYS 37 HD2 LYS 37 -15.897 3.719 2.196 259 HD3 LYS 37 HD1 LYS 37 -14.551 4.332 3.163 260 HE2 LYS 37 HE2 LYS 37 -15.672 6.571 3.150 261 HE3 LYS 37 HE1 LYS 37 -17.057 5.807 2.376 262 HZ1 LYS 37 HZ1 LYS 37 -17.776 5.455 4.446 263 HZ2 LYS 37 HZ2 LYS 37 -16.256 5.771 5.135 264 HZ3 LYS 37 HZ3 LYS 37 -16.606 4.229 4.539 265 H ALA 38 HN ALA 38 -10.355 4.192 0.163 266 HA ALA 38 HA ALA 38 -8.585 5.252 1.102 267 HB1 ALA 38 HB1 ALA 38 -9.332 7.999 1.050 268 HB2 ALA 38 HB2 ALA 38 -9.818 7.254 -0.471 269 HB3 ALA 38 HB3 ALA 38 -8.140 7.158 0.058 270 H ALA 39 HN ALA 39 -11.016 4.521 2.595 271 HA ALA 39 HA ALA 39 -10.256 5.532 5.148 272 HB1 ALA 39 HB1 ALA 39 -11.565 7.347 5.214 273 HB2 ALA 39 HB2 ALA 39 -12.930 6.232 5.286 274 HB3 ALA 39 HB3 ALA 39 -12.409 6.889 3.734 275 H GLU 40 HN GLU 40 -12.438 4.887 6.662 276 HA GLU 40 HA GLU 40 -12.432 2.062 6.637 277 HB2 GLU 40 HB2 GLU 40 -14.212 4.042 8.058 278 HB3 GLU 40 HB1 GLU 40 -14.346 2.307 8.289 279 HG2 GLU 40 HG2 GLU 40 -12.022 2.258 9.087 280 HG3 GLU 40 HG1 GLU 40 -11.949 4.013 8.916 281 H GLY 41 HN GLY 41 -13.735 0.594 5.654 282 HA2 GLY 41 HA2 GLY 41 -16.306 0.450 5.150 283 HA3 GLY 41 HA1 GLY 41 -15.873 1.664 3.960 284 H CYS 42 HN CYS 42 -16.892 -1.184 3.853 285 HA CYS 42 HA CYS 42 -16.736 -2.975 2.474 286 HB2 CYS 42 HB2 CYS 42 -14.886 -1.115 0.980 287 HB3 CYS 42 HB1 CYS 42 -15.403 -2.681 0.363 288 H ALA 43 HN ALA 43 -14.960 -2.836 4.763 289 HA ALA 43 HA ALA 43 -12.450 -3.976 3.928 290 HB1 ALA 43 HB1 ALA 43 -12.085 -2.854 5.862 291 HB2 ALA 43 HB2 ALA 43 -12.428 -4.448 6.540 292 HB3 ALA 43 HB3 ALA 43 -13.689 -3.214 6.505 293 H SER 44 HN SER 44 -15.404 -5.169 5.492 294 HA SER 44 HA SER 44 -14.482 -7.838 5.780 295 HB2 SER 44 HB2 SER 44 -17.356 -6.912 5.596 296 HB3 SER 44 HB1 SER 44 -16.747 -8.368 6.387 297 HG SER 44 HG SER 44 -15.937 -7.185 8.015 298 H CYS 45 HN CYS 45 -15.561 -6.080 3.075 299 HA CYS 45 HA CYS 45 -16.629 -8.295 1.600 300 HB2 CYS 45 HB2 CYS 45 -17.352 -5.960 1.198 301 HB3 CYS 45 HB1 CYS 45 -15.733 -5.572 0.629 302 H PHE 46 HN PHE 46 -13.677 -6.332 1.265 303 HA PHE 46 HA PHE 46 -12.527 -8.446 -0.398 304 HB2 PHE 46 HB2 PHE 46 -12.397 -6.420 -1.531 305 HB3 PHE 46 HB1 PHE 46 -12.026 -5.509 -0.077 306 HD1 PHE 46 HD1 PHE 46 -9.717 -5.661 0.895 307 HD2 PHE 46 HD2 PHE 46 -10.715 -7.263 -2.916 308 HE1 PHE 46 HE1 PHE 46 -7.337 -5.684 0.290 309 HE2 PHE 46 HE2 PHE 46 -8.344 -7.276 -3.529 310 HZ PHE 46 HZ PHE 46 -6.640 -6.497 -1.916 311 H CYS 47 HN CYS 47 -11.618 -6.367 2.324 312 HA CYS 47 HA CYS 47 -9.145 -7.669 2.826 313 HB2 CYS 47 HB2 CYS 47 -10.748 -5.969 4.724 314 HB3 CYS 47 HB1 CYS 47 -9.009 -6.235 4.741 315 H GLU 48 HN GLU 48 -11.907 -9.199 3.114 316 HA GLU 48 HA GLU 48 -11.978 -10.006 5.832 317 HB2 GLU 48 HB2 GLU 48 -13.871 -10.193 4.271 318 HB3 GLU 48 HB1 GLU 48 -13.006 -11.423 3.371 319 HG2 GLU 48 HG2 GLU 48 -14.665 -12.423 4.826 320 HG3 GLU 48 HG1 GLU 48 -13.033 -12.894 5.295 321 H ASP 49 HN ASP 49 -10.821 -11.647 2.901 322 HA ASP 49 HA ASP 49 -9.734 -13.884 4.238 323 HB2 ASP 49 HB2 ASP 49 -10.347 -13.778 1.808 324 HB3 ASP 49 HB1 ASP 49 -8.919 -12.783 1.540 325 H HIS 50 HN HIS 50 -8.541 -10.691 3.682 326 HA HIS 50 HA HIS 50 -6.050 -11.460 4.995 327 HB2 HIS 50 HB2 HIS 50 -4.931 -9.663 3.461 328 HB3 HIS 50 HB1 HIS 50 -5.131 -11.316 2.914 329 HD2 HIS 50 HD2 HIS 50 -8.496 -9.655 2.339 330 HE1 HIS 50 HE1 HIS 50 -6.224 -9.032 -1.194 331 HE2 HIS 50 HE2 HIS 50 -8.538 -9.180 -0.207 332 H CYS 51 HN CYS 51 -6.211 -10.545 6.885 333 HA CYS 51 HA CYS 51 -6.845 -7.665 7.045 334 HB2 CYS 51 HB2 CYS 51 -7.137 -9.839 9.137 335 HB3 CYS 51 HB1 CYS 51 -7.353 -8.123 9.462 336 H HIS 52 HN HIS 52 -4.622 -7.241 6.459 337 HA HIS 52 HA HIS 52 -2.809 -7.483 8.731 338 HB2 HIS 52 HB2 HIS 52 -2.158 -9.348 7.493 339 HB3 HIS 52 HB1 HIS 52 -2.443 -8.556 5.958 340 HD2 HIS 52 HD2 HIS 52 0.433 -9.663 8.049 341 HE1 HIS 52 HE1 HIS 52 1.969 -6.676 5.457 342 HE2 HIS 52 HE2 HIS 52 2.528 -8.666 6.902 343 H GLY 53 HN GLY 53 -3.601 -5.907 5.679 344 HA2 GLY 53 HA2 GLY 53 -1.527 -3.923 6.045 345 HA3 GLY 53 HA1 GLY 53 -2.660 -4.010 4.714 346 H VAL 54 HN VAL 54 -2.669 -1.735 4.937 347 HA VAL 54 HA VAL 54 -3.531 -0.230 7.119 348 HB VAL 54 HB VAL 54 -2.400 0.747 5.211 349 HG11 VAL 54 HG11 VAL 54 -3.337 -0.673 3.449 350 HG12 VAL 54 HG12 VAL 54 -3.453 1.039 3.034 351 HG13 VAL 54 HG13 VAL 54 -4.880 0.168 3.598 352 HG21 VAL 54 HG21 VAL 54 -4.923 1.804 6.191 353 HG22 VAL 54 HG22 VAL 54 -4.469 2.448 4.613 354 HG23 VAL 54 HG23 VAL 54 -3.363 2.597 5.978 355 H CYS 55 HN CYS 55 -5.362 -2.414 5.317 356 HA CYS 55 HA CYS 55 -7.879 -1.032 5.472 357 HB2 CYS 55 HB2 CYS 55 -7.279 -2.786 3.770 358 HB3 CYS 55 HB1 CYS 55 -7.425 -3.979 5.052 359 H LYS 56 HN LYS 56 -6.104 -3.315 7.446 360 HA LYS 56 HA LYS 56 -8.405 -3.688 9.199 361 HB2 LYS 56 HB2 LYS 56 -7.048 -5.311 10.406 362 HB3 LYS 56 HB1 LYS 56 -7.000 -5.647 8.684 363 HG2 LYS 56 HG2 LYS 56 -4.803 -5.957 9.293 364 HG3 LYS 56 HG1 LYS 56 -4.790 -4.288 8.725 365 HD2 LYS 56 HD2 LYS 56 -4.935 -3.501 11.039 366 HD3 LYS 56 HD1 LYS 56 -4.955 -5.172 11.612 367 HE2 LYS 56 HE2 LYS 56 -2.741 -5.544 10.694 368 HE3 LYS 56 HE1 LYS 56 -2.725 -3.925 10.001 369 HZ1 LYS 56 HZ1 LYS 56 -2.799 -4.571 12.906 370 HZ2 LYS 56 HZ2 LYS 56 -2.794 -3.016 12.246 371 HZ3 LYS 56 HZ3 LYS 56 -1.444 -4.021 12.044 372 H ASP 57 HN ASP 57 -6.140 -1.377 8.788 373 HA ASP 57 HA ASP 57 -5.127 -0.805 11.319 374 HB2 ASP 57 HB2 ASP 57 -4.458 0.289 9.155 375 HB3 ASP 57 HB1 ASP 57 -5.937 1.231 9.224 376 H LEU 58 HN LEU 58 -6.052 -0.303 13.115 377 HA LEU 58 HA LEU 58 -7.386 0.757 14.658 378 HB2 LEU 58 HB2 LEU 58 -8.144 2.454 13.022 379 HB3 LEU 58 HB1 LEU 58 -9.327 1.313 12.406 380 HG LEU 58 HG LEU 58 -10.381 1.292 14.681 381 HD11 LEU 58 HD11 LEU 58 -9.389 3.807 15.570 382 HD12 LEU 58 HD12 LEU 58 -8.038 2.694 15.377 383 HD13 LEU 58 HD13 LEU 58 -9.397 2.261 16.416 384 HD21 LEU 58 HD21 LEU 58 -11.054 3.866 14.400 385 HD22 LEU 58 HD22 LEU 58 -11.651 2.587 13.342 386 HD23 LEU 58 HD23 LEU 58 -10.292 3.589 12.832 387 H HIS 59 HN HIS 59 -9.409 -0.763 12.199 388 HA HIS 59 HA HIS 59 -9.759 -3.279 12.863 389 HB2 HIS 59 HB2 HIS 59 -10.286 -2.323 15.265 390 HB3 HIS 59 HB1 HIS 59 -11.889 -2.056 14.583 391 HD2 HIS 59 HD2 HIS 59 -9.979 -4.797 16.303 392 HE1 HIS 59 HE1 HIS 59 -13.045 -6.759 14.121 393 HE2 HIS 59 HE2 HIS 59 -11.110 -7.053 15.720 394 H LEU 60 HN LEU 60 -10.923 -3.970 11.183 395 HA LEU 60 HA LEU 60 -13.432 -2.669 10.546 396 HB2 LEU 60 HB2 LEU 60 -11.043 -2.686 8.758 397 HB3 LEU 60 HB1 LEU 60 -12.646 -2.750 8.054 398 HG LEU 60 HG LEU 60 -11.637 -0.565 9.878 399 HD11 LEU 60 HD11 LEU 60 -11.851 0.789 7.742 400 HD12 LEU 60 HD12 LEU 60 -11.906 -0.757 6.893 401 HD13 LEU 60 HD13 LEU 60 -10.485 -0.323 7.844 402 HD21 LEU 60 HD21 LEU 60 -14.033 -0.884 10.081 403 HD22 LEU 60 HD22 LEU 60 -14.212 -0.839 8.325 404 HD23 LEU 60 HD23 LEU 60 -13.689 0.604 9.200 405 H CYS 61 HN CYS 61 -11.165 -5.139 9.284 406 HA CYS 61 HA CYS 61 -13.464 -6.800 8.579 407 HB2 CYS 61 HB2 CYS 61 -11.760 -8.283 7.506 408 HB3 CYS 61 HB1 CYS 61 -11.788 -6.656 6.840 409 H1 ALA 62 HT1 ALA 62 26.384 -3.537 18.451 410 H2 ALA 62 HT2 ALA 62 25.353 -4.803 17.913 411 H3 ALA 62 HT3 ALA 62 24.691 -3.287 18.378 412 HA ALA 62 HA ALA 62 25.862 -2.229 16.580 413 HB1 ALA 62 HB1 ALA 62 26.850 -3.641 14.829 414 HB2 ALA 62 HB2 ALA 62 26.614 -5.059 15.848 415 HB3 ALA 62 HB3 ALA 62 27.714 -3.778 16.357 416 H MET 63 HN MET 63 24.404 -1.610 15.131 417 HA MET 63 HA MET 63 22.599 -3.522 13.915 418 HB2 MET 63 HB2 MET 63 20.591 -2.072 14.503 419 HB3 MET 63 HB1 MET 63 21.248 -3.059 15.799 420 HG2 MET 63 HG2 MET 63 22.573 -0.943 16.436 421 HG3 MET 63 HG1 MET 63 21.413 -0.098 15.415 422 HE1 MET 63 HE1 MET 63 19.012 -0.955 15.462 423 HE2 MET 63 HE2 MET 63 18.275 -0.051 16.786 424 HE3 MET 63 HE3 MET 63 18.265 -1.815 16.809 425 H GLY 64 HN GLY 64 23.744 -0.236 14.257 426 HA2 GLY 64 HA2 GLY 64 23.962 1.509 12.792 427 HA3 GLY 64 HA1 GLY 64 24.403 0.247 11.662 428 H LYS 65 HN LYS 65 23.582 1.164 9.881 429 HA LYS 65 HA LYS 65 20.814 2.059 9.785 430 HB2 LYS 65 HB2 LYS 65 22.696 3.302 8.690 431 HB3 LYS 65 HB1 LYS 65 22.908 1.945 7.597 432 HG2 LYS 65 HG2 LYS 65 20.483 2.330 6.911 433 HG3 LYS 65 HG1 LYS 65 20.614 3.867 7.771 434 HD2 LYS 65 HD2 LYS 65 22.371 2.952 5.493 435 HD3 LYS 65 HD1 LYS 65 21.075 4.145 5.386 436 HE2 LYS 65 HE2 LYS 65 22.261 5.665 6.798 437 HE3 LYS 65 HE1 LYS 65 23.470 4.444 7.192 438 HZ1 LYS 65 HZ1 LYS 65 23.033 5.458 4.434 439 HZ2 LYS 65 HZ2 LYS 65 24.335 4.524 5.011 440 HZ3 LYS 65 HZ3 LYS 65 24.163 6.142 5.502 441 H CYS 66 HN CYS 66 22.177 0.565 6.979 442 HA CYS 66 HA CYS 66 20.359 -1.733 7.299 443 HB2 CYS 66 HB2 CYS 66 21.005 -0.117 4.833 444 HB3 CYS 66 HB1 CYS 66 20.287 -1.722 4.747 445 H SER 67 HN SER 67 23.261 -1.208 7.859 446 HA SER 67 HA SER 67 24.342 -3.487 6.351 447 HB2 SER 67 HB2 SER 67 26.584 -2.275 6.651 448 HB3 SER 67 HB1 SER 67 25.463 -1.588 5.471 449 HG SER 67 HG SER 67 26.566 -0.232 7.293 450 H VAL 68 HN VAL 68 26.576 -4.052 7.606 451 HA VAL 68 HA VAL 68 27.529 -5.025 9.413 452 HB VAL 68 HB VAL 68 25.842 -3.172 11.108 453 HG11 VAL 68 HG11 VAL 68 28.186 -3.429 12.409 454 HG12 VAL 68 HG12 VAL 68 28.073 -5.021 11.656 455 HG13 VAL 68 HG13 VAL 68 26.781 -4.450 12.717 456 HG21 VAL 68 HG21 VAL 68 26.945 -1.686 9.711 457 HG22 VAL 68 HG22 VAL 68 28.375 -2.709 9.583 458 HG23 VAL 68 HG23 VAL 68 28.056 -1.822 11.072 459 H LEU 69 HN LEU 69 24.424 -4.366 11.020 460 HA LEU 69 HA LEU 69 24.198 -7.157 11.708 461 HB2 LEU 69 HB2 LEU 69 23.516 -5.342 13.267 462 HB3 LEU 69 HB1 LEU 69 22.227 -4.907 12.157 463 HG LEU 69 HG LEU 69 21.199 -7.126 12.490 464 HD11 LEU 69 HD11 LEU 69 23.414 -8.216 13.101 465 HD12 LEU 69 HD12 LEU 69 22.005 -8.686 14.049 466 HD13 LEU 69 HD13 LEU 69 23.173 -7.545 14.714 467 HD21 LEU 69 HD21 LEU 69 20.880 -6.736 15.099 468 HD22 LEU 69 HD22 LEU 69 20.145 -5.688 13.889 469 HD23 LEU 69 HD23 LEU 69 21.635 -5.197 14.694 470 H LYS 70 HN LYS 70 22.650 -4.889 9.511 471 HA LYS 70 HA LYS 70 20.838 -6.923 8.529 472 HB2 LYS 70 HB2 LYS 70 21.305 -4.047 7.745 473 HB3 LYS 70 HB1 LYS 70 20.135 -5.094 6.970 474 HG2 LYS 70 HG2 LYS 70 18.717 -4.184 8.463 475 HG3 LYS 70 HG1 LYS 70 19.403 -5.397 9.548 476 HD2 LYS 70 HD2 LYS 70 21.054 -3.736 10.319 477 HD3 LYS 70 HD1 LYS 70 20.307 -2.528 9.272 478 HE2 LYS 70 HE2 LYS 70 18.155 -2.948 10.517 479 HE3 LYS 70 HE1 LYS 70 19.097 -3.902 11.666 480 HZ1 LYS 70 HZ1 LYS 70 20.545 -1.773 11.777 481 HZ2 LYS 70 HZ2 LYS 70 19.077 -1.815 12.628 482 HZ3 LYS 70 HZ3 LYS 70 19.173 -1.001 11.145 483 H LYS 71 HN LYS 71 23.817 -7.039 8.307 484 HA LYS 71 HA LYS 71 24.641 -6.713 5.610 485 HB2 LYS 71 HB2 LYS 71 26.162 -6.922 7.611 486 HB3 LYS 71 HB1 LYS 71 25.733 -8.627 7.692 487 HG2 LYS 71 HG2 LYS 71 26.602 -8.773 5.290 488 HG3 LYS 71 HG1 LYS 71 27.342 -7.202 5.601 489 HD2 LYS 71 HD2 LYS 71 27.823 -9.778 7.093 490 HD3 LYS 71 HD1 LYS 71 28.956 -8.920 6.050 491 HE2 LYS 71 HE2 LYS 71 28.959 -7.033 7.617 492 HE3 LYS 71 HE1 LYS 71 27.837 -7.909 8.658 493 HZ1 LYS 71 HZ1 LYS 71 30.056 -8.150 9.482 494 HZ2 LYS 71 HZ2 LYS 71 30.618 -8.711 7.978 495 HZ3 LYS 71 HZ3 LYS 71 29.541 -9.655 8.892 496 H VAL 72 HN VAL 72 22.647 -8.934 7.163 497 HA VAL 72 HA VAL 72 23.086 -11.192 5.420 498 HB VAL 72 HB VAL 72 20.634 -10.862 7.119 499 HG11 VAL 72 HG11 VAL 72 20.413 -13.080 6.897 500 HG12 VAL 72 HG12 VAL 72 22.135 -13.373 7.148 501 HG13 VAL 72 HG13 VAL 72 21.543 -12.901 5.554 502 HG21 VAL 72 HG21 VAL 72 21.805 -11.618 9.089 503 HG22 VAL 72 HG22 VAL 72 22.556 -10.135 8.498 504 HG23 VAL 72 HG23 VAL 72 23.327 -11.694 8.199 505 H ALA 73 HN ALA 73 22.497 -8.705 4.184 506 HA ALA 73 HA ALA 73 21.352 -7.821 2.457 507 HB1 ALA 73 HB1 ALA 73 19.924 -9.427 1.104 508 HB2 ALA 73 HB2 ALA 73 20.409 -10.666 2.264 509 HB3 ALA 73 HB3 ALA 73 21.629 -9.837 1.298 510 H CYS 74 HN CYS 74 20.381 -6.933 4.650 511 HA CYS 74 HA CYS 74 18.669 -5.957 5.723 512 HB2 CYS 74 HB2 CYS 74 16.924 -5.028 4.470 513 HB3 CYS 74 HB1 CYS 74 18.278 -5.141 3.355 514 H ALA 75 HN ALA 75 18.393 -9.172 4.968 515 HA ALA 75 HA ALA 75 15.709 -9.690 5.672 516 HB1 ALA 75 HB1 ALA 75 17.169 -11.260 4.442 517 HB2 ALA 75 HB2 ALA 75 16.349 -11.999 5.817 518 HB3 ALA 75 HB3 ALA 75 18.054 -11.564 5.937 519 H ALA 76 HN ALA 76 18.541 -9.090 7.601 520 HA ALA 76 HA ALA 76 17.690 -10.297 10.013 521 HB1 ALA 76 HB1 ALA 76 20.020 -9.461 9.384 522 HB2 ALA 76 HB2 ALA 76 19.485 -9.200 11.046 523 HB3 ALA 76 HB3 ALA 76 19.447 -7.869 9.887 524 H ALA 77 HN ALA 77 16.395 -7.636 8.392 525 HA ALA 77 HA ALA 77 15.222 -6.628 10.902 526 HB1 ALA 77 HB1 ALA 77 16.143 -4.674 10.347 527 HB2 ALA 77 HB2 ALA 77 14.869 -4.568 9.130 528 HB3 ALA 77 HB3 ALA 77 16.462 -5.188 8.691 529 H ILE 78 HN ILE 78 14.608 -7.478 7.536 530 HA ILE 78 HA ILE 78 11.824 -6.764 7.737 531 HB ILE 78 HB ILE 78 12.907 -6.485 5.620 532 HG12 ILE 78 HG12 ILE 78 11.284 -7.714 4.166 533 HG13 ILE 78 HG11 ILE 78 10.835 -8.665 5.580 534 HG21 ILE 78 HG21 ILE 78 13.173 -8.997 4.476 535 HG22 ILE 78 HG22 ILE 78 13.990 -9.087 6.036 536 HG23 ILE 78 HG23 ILE 78 14.453 -7.845 4.867 537 HD11 ILE 78 HD11 ILE 78 10.695 -5.787 6.026 538 HD12 ILE 78 HD12 ILE 78 9.526 -7.057 6.387 539 HD13 ILE 78 HD13 ILE 78 9.614 -6.376 4.762 540 H ALA 79 HN ALA 79 13.658 -9.733 7.426 541 HA ALA 79 HA ALA 79 11.528 -11.531 7.447 542 HB1 ALA 79 HB1 ALA 79 14.401 -11.800 8.200 543 HB2 ALA 79 HB2 ALA 79 13.519 -12.518 6.849 544 HB3 ALA 79 HB3 ALA 79 13.283 -13.135 8.485 545 H GLY 80 HN GLY 80 12.892 -9.742 10.078 546 HA2 GLY 80 HA2 GLY 80 11.844 -11.430 12.162 547 HA3 GLY 80 HA1 GLY 80 12.524 -9.821 12.364 548 H ALA 81 HN ALA 81 10.621 -8.858 10.215 549 HA ALA 81 HA ALA 81 8.490 -8.160 12.008 550 HB1 ALA 81 HB1 ALA 81 9.109 -7.398 9.167 551 HB2 ALA 81 HB2 ALA 81 9.267 -6.406 10.618 552 HB3 ALA 81 HB3 ALA 81 7.667 -6.844 10.017 553 H VAL 82 HN VAL 82 9.075 -10.551 9.667 554 HA VAL 82 HA VAL 82 6.471 -11.023 8.715 555 HB VAL 82 HB VAL 82 8.802 -12.934 8.995 556 HG11 VAL 82 HG11 VAL 82 6.768 -13.182 6.866 557 HG12 VAL 82 HG12 VAL 82 6.327 -13.693 8.495 558 HG13 VAL 82 HG13 VAL 82 7.712 -14.422 7.685 559 HG21 VAL 82 HG21 VAL 82 8.018 -11.362 6.550 560 HG22 VAL 82 HG22 VAL 82 9.479 -12.315 6.813 561 HG23 VAL 82 HG23 VAL 82 9.237 -10.812 7.704 562 H ALA 83 HN ALA 83 8.355 -12.347 11.398 563 HA ALA 83 HA ALA 83 6.267 -14.116 12.270 564 HB1 ALA 83 HB1 ALA 83 7.777 -14.680 14.090 565 HB2 ALA 83 HB2 ALA 83 8.831 -13.338 13.649 566 HB3 ALA 83 HB3 ALA 83 8.631 -14.697 12.545 567 H ALA 84 HN ALA 84 6.329 -10.906 12.387 568 HA ALA 84 HA ALA 84 5.290 -10.727 15.111 569 HB1 ALA 84 HB1 ALA 84 5.587 -8.135 14.274 570 HB2 ALA 84 HB2 ALA 84 6.950 -8.958 13.515 571 HB3 ALA 84 HB3 ALA 84 6.732 -9.039 15.265 572 H CYS 85 HN CYS 85 4.407 -10.490 11.788 573 HA CYS 85 HA CYS 85 1.805 -9.363 12.605 574 HB2 CYS 85 HB2 CYS 85 3.380 -8.026 10.993 575 HB3 CYS 85 HB1 CYS 85 2.775 -9.148 9.779 576 H GLY 86 HN GLY 86 3.020 -12.207 12.112 577 HA2 GLY 86 HA2 GLY 86 2.062 -14.233 11.611 578 HA3 GLY 86 HA1 GLY 86 0.562 -13.378 11.313 579 H GLY 87 HN GLY 87 3.570 -12.809 9.517 580 HA2 GLY 87 HA2 GLY 87 3.576 -14.453 7.448 581 HA3 GLY 87 HA1 GLY 87 2.108 -13.554 7.095 582 H ILE 88 HN ILE 88 3.674 -13.286 5.124 583 HA ILE 88 HA ILE 88 5.105 -10.756 5.566 584 HB ILE 88 HB ILE 88 6.771 -12.435 5.124 585 HG12 ILE 88 HG12 ILE 88 7.624 -11.561 2.850 586 HG13 ILE 88 HG11 ILE 88 6.179 -10.551 2.855 587 HG21 ILE 88 HG21 ILE 88 4.878 -13.310 3.038 588 HG22 ILE 88 HG22 ILE 88 5.950 -14.254 4.072 589 HG23 ILE 88 HG23 ILE 88 6.594 -13.429 2.652 590 HD11 ILE 88 HD11 ILE 88 7.227 -10.097 5.335 591 HD12 ILE 88 HD12 ILE 88 7.424 -9.063 3.923 592 HD13 ILE 88 HD13 ILE 88 8.667 -10.248 4.325 593 H ASP 89 HN ASP 89 4.640 -9.111 4.263 594 HA ASP 89 HA ASP 89 3.400 -9.453 1.693 595 HB2 ASP 89 HB2 ASP 89 1.502 -9.598 3.388 596 HB3 ASP 89 HB1 ASP 89 1.846 -7.918 3.784 597 H LEU 90 HN LEU 90 2.695 -6.524 3.436 598 HA LEU 90 HA LEU 90 5.196 -5.262 3.073 599 HB2 LEU 90 HB2 LEU 90 4.709 -5.305 0.725 600 HB3 LEU 90 HB1 LEU 90 3.118 -4.615 0.992 601 HG LEU 90 HG LEU 90 4.060 -2.481 1.590 602 HD11 LEU 90 HD11 LEU 90 5.981 -2.696 2.789 603 HD12 LEU 90 HD12 LEU 90 6.700 -2.401 1.204 604 HD13 LEU 90 HD13 LEU 90 6.563 -4.049 1.818 605 HD21 LEU 90 HD21 LEU 90 4.148 -2.072 -0.587 606 HD22 LEU 90 HD22 LEU 90 4.544 -3.757 -0.923 607 HD23 LEU 90 HD23 LEU 90 5.832 -2.600 -0.587 608 HA PRO 91 HA PRO 91 1.771 -1.788 4.113 609 HB2 PRO 91 HB2 PRO 91 -0.368 -3.235 5.286 610 HB3 PRO 91 HB1 PRO 91 -0.399 -2.258 3.818 611 HG2 PRO 91 HG2 PRO 91 -0.074 -5.200 4.127 612 HG3 PRO 91 HG1 PRO 91 -0.850 -4.284 2.821 613 HD2 PRO 91 HD2 PRO 91 1.532 -5.401 2.452 614 HD3 PRO 91 HD1 PRO 91 1.184 -3.781 1.804 615 H CYS 92 HN CYS 92 1.415 -4.752 6.105 616 HA CYS 92 HA CYS 92 1.827 -3.203 8.475 617 HB2 CYS 92 HB2 CYS 92 0.256 -4.957 8.693 618 HB3 CYS 92 HB1 CYS 92 1.362 -6.134 7.999 619 H VAL 93 HN VAL 93 3.785 -5.376 6.538 620 HA VAL 93 HA VAL 93 5.823 -5.790 8.430 621 HB VAL 93 HB VAL 93 6.575 -5.789 5.588 622 HG11 VAL 93 HG11 VAL 93 7.867 -7.527 6.216 623 HG12 VAL 93 HG12 VAL 93 6.600 -8.237 7.215 624 HG13 VAL 93 HG13 VAL 93 7.562 -6.897 7.833 625 HG21 VAL 93 HG21 VAL 93 5.276 -7.806 5.071 626 HG22 VAL 93 HG22 VAL 93 4.251 -6.393 5.324 627 HG23 VAL 93 HG23 VAL 93 4.402 -7.615 6.592 628 H LEU 94 HN LEU 94 5.135 -3.239 6.161 629 HA LEU 94 HA LEU 94 7.663 -2.023 5.997 630 HB2 LEU 94 HB2 LEU 94 5.649 -1.580 4.553 631 HB3 LEU 94 HB1 LEU 94 4.962 -0.667 5.878 632 HG LEU 94 HG LEU 94 6.101 0.613 3.959 633 HD11 LEU 94 HD11 LEU 94 7.194 1.386 6.625 634 HD12 LEU 94 HD12 LEU 94 5.455 1.417 6.333 635 HD13 LEU 94 HD13 LEU 94 6.534 2.401 5.344 636 HD21 LEU 94 HD21 LEU 94 8.530 -0.318 5.479 637 HD22 LEU 94 HD22 LEU 94 8.519 0.975 4.282 638 HD23 LEU 94 HD23 LEU 94 8.131 -0.676 3.799 639 H ALA 95 HN ALA 95 5.017 -1.686 8.291 640 HA ALA 95 HA ALA 95 6.033 0.519 9.732 641 HB1 ALA 95 HB1 ALA 95 4.498 -0.630 11.564 642 HB2 ALA 95 HB2 ALA 95 3.933 -1.524 10.155 643 HB3 ALA 95 HB3 ALA 95 3.828 0.235 10.182 644 H ALA 96 HN ALA 96 6.324 -2.982 10.258 645 HA ALA 96 HA ALA 96 8.003 -2.550 12.596 646 HB1 ALA 96 HB1 ALA 96 6.877 -4.396 13.167 647 HB2 ALA 96 HB2 ALA 96 8.049 -5.245 12.158 648 HB3 ALA 96 HB3 ALA 96 6.480 -4.789 11.493 649 H LEU 97 HN LEU 97 8.804 -1.935 9.719 650 HA LEU 97 HA LEU 97 10.956 -3.748 9.151 651 HB2 LEU 97 HB2 LEU 97 9.691 -2.474 7.418 652 HB3 LEU 97 HB1 LEU 97 10.398 -0.995 8.032 653 HG LEU 97 HG LEU 97 12.628 -1.765 7.377 654 HD11 LEU 97 HD11 LEU 97 12.255 -4.174 7.634 655 HD12 LEU 97 HD12 LEU 97 12.916 -3.782 6.049 656 HD13 LEU 97 HD13 LEU 97 11.202 -4.161 6.220 657 HD21 LEU 97 HD21 LEU 97 10.419 -1.268 5.550 658 HD22 LEU 97 HD22 LEU 97 11.753 -2.147 4.795 659 HD23 LEU 97 HD23 LEU 97 12.050 -0.593 5.577 660 H LYS 98 HN LYS 98 10.736 -0.368 10.215 661 HA LYS 98 HA LYS 98 13.220 -0.677 11.738 662 HB2 LYS 98 HB2 LYS 98 13.353 0.507 9.316 663 HB3 LYS 98 HB1 LYS 98 12.852 1.892 10.273 664 HG2 LYS 98 HG2 LYS 98 15.273 0.199 10.867 665 HG3 LYS 98 HG1 LYS 98 15.298 1.702 9.948 666 HD2 LYS 98 HD2 LYS 98 14.200 1.562 12.741 667 HD3 LYS 98 HD1 LYS 98 15.916 1.839 12.418 668 HE2 LYS 98 HE2 LYS 98 13.610 3.531 11.445 669 HE3 LYS 98 HE1 LYS 98 14.736 3.949 12.734 670 HZ1 LYS 98 HZ1 LYS 98 15.994 4.889 11.193 671 HZ2 LYS 98 HZ2 LYS 98 15.012 4.315 9.936 672 HZ3 LYS 98 HZ3 LYS 98 16.296 3.362 10.510 673 H ALA 99 HN ALA 99 10.908 1.830 10.800 674 HA ALA 99 HA ALA 99 9.516 2.022 13.231 675 HB1 ALA 99 HB1 ALA 99 12.041 3.174 13.439 676 HB2 ALA 99 HB2 ALA 99 10.666 3.474 14.499 677 HB3 ALA 99 HB3 ALA 99 10.966 4.538 13.126 678 H ALA 100 HN ALA 100 10.937 4.220 10.852 679 HA ALA 100 HA ALA 100 8.256 4.808 9.806 680 HB1 ALA 100 HB1 ALA 100 9.312 6.636 11.348 681 HB2 ALA 100 HB2 ALA 100 8.554 7.104 9.827 682 HB3 ALA 100 HB3 ALA 100 10.309 6.984 9.936 683 H GLU 101 HN GLU 101 11.729 5.363 9.263 684 HA GLU 101 HA GLU 101 11.405 4.420 6.489 685 HB2 GLU 101 HB2 GLU 101 13.267 6.651 7.325 686 HB3 GLU 101 HB1 GLU 101 12.951 6.092 5.692 687 HG2 GLU 101 HG2 GLU 101 10.669 6.943 5.839 688 HG3 GLU 101 HG1 GLU 101 10.985 7.497 7.486 689 H GLY 102 HN GLY 102 13.390 3.484 5.583 690 HA2 GLY 102 HA2 GLY 102 15.806 3.071 6.177 691 HA3 GLY 102 HA1 GLY 102 15.185 2.537 7.727 692 H CYS 103 HN CYS 103 16.540 1.430 5.092 693 HA CYS 103 HA CYS 103 16.739 -0.567 4.048 694 HB2 CYS 103 HB2 CYS 103 15.332 -1.473 6.557 695 HB3 CYS 103 HB1 CYS 103 16.001 -2.581 5.364 696 H ALA 104 HN ALA 104 14.406 1.031 3.368 697 HA ALA 104 HA ALA 104 12.321 -0.940 2.879 698 HB1 ALA 104 HB1 ALA 104 11.073 0.969 1.918 699 HB2 ALA 104 HB2 ALA 104 12.462 2.004 2.257 700 HB3 ALA 104 HB3 ALA 104 11.588 1.236 3.584 701 H SER 105 HN SER 105 14.942 0.584 1.185 702 HA SER 105 HA SER 105 14.003 0.232 -1.452 703 HB2 SER 105 HB2 SER 105 15.953 1.670 -0.793 704 HB3 SER 105 HB1 SER 105 16.894 0.198 -0.547 705 HG SER 105 HG SER 105 17.329 0.422 -2.602 706 H CYS 106 HN CYS 106 16.042 -1.816 0.606 707 HA CYS 106 HA CYS 106 16.518 -3.873 -1.232 708 HB2 CYS 106 HB2 CYS 106 17.816 -3.712 0.789 709 HB3 CYS 106 HB1 CYS 106 16.382 -3.919 1.787 710 H PHE 107 HN PHE 107 14.004 -3.651 1.279 711 HA PHE 107 HA PHE 107 12.788 -6.113 0.555 712 HB2 PHE 107 HB2 PHE 107 12.599 -5.241 2.813 713 HB3 PHE 107 HB1 PHE 107 11.748 -3.817 2.220 714 HD1 PHE 107 HD2 PHE 107 11.460 -7.522 1.915 715 HD2 PHE 107 HD1 PHE 107 9.486 -3.807 2.549 716 HE1 PHE 107 HE2 PHE 107 9.329 -8.705 2.180 717 HE2 PHE 107 HE1 PHE 107 7.343 -4.985 2.801 718 HZ PHE 107 HZ PHE 107 7.257 -7.437 2.610 719 H CYS 108 HN CYS 108 11.570 -2.770 0.230 720 HA CYS 108 HA CYS 108 9.401 -3.604 -1.448 721 HB2 CYS 108 HB2 CYS 108 10.397 -0.801 -0.999 722 HB3 CYS 108 HB1 CYS 108 8.786 -1.298 -1.500 723 H GLU 109 HN GLU 109 12.029 -4.201 -2.634 724 HA GLU 109 HA GLU 109 12.670 -2.273 -4.590 725 HB2 GLU 109 HB2 GLU 109 14.190 -4.109 -3.920 726 HB3 GLU 109 HB1 GLU 109 13.103 -5.282 -4.638 727 HG2 GLU 109 HG2 GLU 109 15.026 -4.857 -6.059 728 HG3 GLU 109 HG1 GLU 109 13.527 -4.370 -6.844 729 H ASP 110 HN ASP 110 11.418 -5.487 -5.501 730 HA ASP 110 HA ASP 110 10.063 -4.342 -7.768 731 HB2 ASP 110 HB2 ASP 110 11.094 -6.591 -7.883 732 HB3 ASP 110 HB1 ASP 110 9.948 -7.167 -6.676 733 H HIS 111 HN HIS 111 9.278 -5.378 -4.562 734 HA HIS 111 HA HIS 111 6.413 -5.267 -4.925 735 HB2 HIS 111 HB2 HIS 111 7.691 -5.193 -2.220 736 HB3 HIS 111 HB1 HIS 111 6.248 -6.049 -2.747 737 HD2 HIS 111 HD2 HIS 111 9.799 -6.818 -1.851 738 HE1 HIS 111 HE1 HIS 111 8.572 -10.004 -4.369 739 HE2 HIS 111 HE2 HIS 111 10.160 -9.283 -2.544 740 H CYS 112 HN CYS 112 6.652 -3.009 -5.833 741 HA CYS 112 HA CYS 112 6.505 -1.069 -3.623 742 HB2 CYS 112 HB2 CYS 112 8.633 -0.951 -5.037 743 HB3 CYS 112 HB1 CYS 112 7.602 -0.408 -6.358 744 H HIS 113 HN HIS 113 4.239 -1.354 -3.663 745 HA HIS 113 HA HIS 113 2.913 -0.084 -5.939 746 HB2 HIS 113 HB2 HIS 113 2.386 -2.353 -6.157 747 HB3 HIS 113 HB1 HIS 113 2.235 -2.582 -4.427 748 HD2 HIS 113 HD2 HIS 113 0.031 -1.827 -7.495 749 HE1 HIS 113 HE1 HIS 113 -2.432 -1.885 -4.047 750 HE2 HIS 113 HE2 HIS 113 -2.326 -2.287 -6.526 751 H GLY 114 HN GLY 114 2.605 -0.828 -2.448 752 HA2 GLY 114 HA2 GLY 114 1.477 1.856 -2.107 753 HA3 GLY 114 HA1 GLY 114 0.492 0.502 -1.584 754 H VAL 115 HN VAL 115 1.192 2.480 0.137 755 HA VAL 115 HA VAL 115 1.946 2.952 2.181 756 HB VAL 115 HB VAL 115 1.071 0.507 2.485 757 HG11 VAL 115 HG11 VAL 115 3.049 -0.673 3.821 758 HG12 VAL 115 HG12 VAL 115 3.994 0.118 2.559 759 HG13 VAL 115 HG13 VAL 115 2.705 -1.001 2.120 760 HG21 VAL 115 HG21 VAL 115 1.191 2.333 4.168 761 HG22 VAL 115 HG22 VAL 115 2.788 1.742 4.622 762 HG23 VAL 115 HG23 VAL 115 1.373 0.714 4.838 763 H CYS 116 HN CYS 116 4.273 0.827 0.544 764 HA CYS 116 HA CYS 116 6.465 2.110 1.958 765 HB2 CYS 116 HB2 CYS 116 6.331 -0.381 1.284 766 HB3 CYS 116 HB1 CYS 116 6.729 0.177 -0.338 767 H LYS 117 HN LYS 117 4.817 2.168 -1.091 768 HA LYS 117 HA LYS 117 6.728 3.948 -2.329 769 HB2 LYS 117 HB2 LYS 117 5.656 2.095 -3.590 770 HB3 LYS 117 HB1 LYS 117 4.088 2.837 -3.307 771 HG2 LYS 117 HG2 LYS 117 4.671 4.727 -4.597 772 HG3 LYS 117 HG1 LYS 117 6.336 4.172 -4.751 773 HD2 LYS 117 HD2 LYS 117 5.590 2.236 -6.030 774 HD3 LYS 117 HD1 LYS 117 3.911 2.747 -5.846 775 HE2 LYS 117 HE2 LYS 117 6.054 4.360 -7.225 776 HE3 LYS 117 HE1 LYS 117 4.894 3.321 -8.052 777 HZ1 LYS 117 HZ1 LYS 117 3.167 4.744 -6.784 778 HZ2 LYS 117 HZ2 LYS 117 3.893 5.364 -8.180 779 HZ3 LYS 117 HZ3 LYS 117 4.425 5.874 -6.646 780 H ASP 118 HN ASP 118 4.503 4.265 -0.044 781 HA ASP 118 HA ASP 118 2.775 6.327 -0.863 782 HB2 ASP 118 HB2 ASP 118 2.561 4.864 1.192 783 HB3 ASP 118 HB1 ASP 118 3.812 5.842 1.941 784 H LEU 119 HN LEU 119 6.080 6.332 0.323 785 HA LEU 119 HA LEU 119 6.106 9.263 0.086 786 HB2 LEU 119 HB2 LEU 119 6.632 8.318 2.351 787 HB3 LEU 119 HB1 LEU 119 8.025 7.522 1.647 788 HG LEU 119 HG LEU 119 9.054 9.673 1.150 789 HD11 LEU 119 HD11 LEU 119 7.426 11.462 2.620 790 HD12 LEU 119 HD12 LEU 119 6.402 10.650 1.437 791 HD13 LEU 119 HD13 LEU 119 7.846 11.509 0.906 792 HD21 LEU 119 HD21 LEU 119 9.641 8.849 3.266 793 HD22 LEU 119 HD22 LEU 119 8.069 9.255 3.954 794 HD23 LEU 119 HD23 LEU 119 9.204 10.538 3.536 795 H HIS 120 HN HIS 120 9.176 7.964 0.347 796 HA HIS 120 HA HIS 120 9.557 7.588 -2.519 797 HB2 HIS 120 HB2 HIS 120 11.178 9.533 -0.854 798 HB3 HIS 120 HB1 HIS 120 11.563 9.059 -2.502 799 HD2 HIS 120 HD2 HIS 120 10.058 11.976 -0.885 800 HE1 HIS 120 HE1 HIS 120 7.923 11.630 -4.538 801 HE2 HIS 120 HE2 HIS 120 8.569 13.166 -2.642 802 H LEU 121 HN LEU 121 9.558 5.448 -1.091 803 HA LEU 121 HA LEU 121 12.223 4.959 -0.036 804 HB2 LEU 121 HB2 LEU 121 9.729 3.278 0.138 805 HB3 LEU 121 HB1 LEU 121 11.258 2.913 0.917 806 HG LEU 121 HG LEU 121 9.552 5.339 1.496 807 HD11 LEU 121 HD11 LEU 121 9.133 2.727 2.307 808 HD12 LEU 121 HD12 LEU 121 8.472 4.182 3.052 809 HD13 LEU 121 HD13 LEU 121 9.966 3.476 3.667 810 HD21 LEU 121 HD21 LEU 121 11.576 6.115 2.142 811 HD22 LEU 121 HD22 LEU 121 12.264 4.501 2.321 812 HD23 LEU 121 HD23 LEU 121 11.217 5.159 3.581 813 H CYS 122 HN CYS 122 10.055 3.823 -2.571 814 HA CYS 122 HA CYS 122 12.345 2.496 -3.819 815 HB2 CYS 122 HB2 CYS 122 10.720 0.644 -4.556 816 HB3 CYS 122 HB1 CYS 122 11.305 0.584 -2.900 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -28.850 2.378 0.440 2 H2 ALA 1 HT2 ALA 1 -29.598 2.856 1.911 3 H3 ALA 1 HT3 ALA 1 -30.531 2.115 0.673 4 HA ALA 1 HA ALA 1 -30.244 0.385 2.029 5 HB1 ALA 1 HB1 ALA 1 -28.906 -1.111 0.912 6 HB2 ALA 1 HB2 ALA 1 -27.590 0.048 0.707 7 HB3 ALA 1 HB3 ALA 1 -29.034 0.164 -0.301 8 H MET 2 HN MET 2 -29.236 -0.617 3.805 9 HA MET 2 HA MET 2 -27.718 1.147 5.454 10 HB2 MET 2 HB2 MET 2 -27.693 -0.772 7.057 11 HB3 MET 2 HB1 MET 2 -29.299 -0.304 6.521 12 HG2 MET 2 HG2 MET 2 -29.265 -2.175 4.908 13 HG3 MET 2 HG1 MET 2 -27.703 -2.671 5.561 14 HE1 MET 2 HE1 MET 2 -28.261 -3.921 8.956 15 HE2 MET 2 HE2 MET 2 -28.701 -2.225 9.127 16 HE3 MET 2 HE3 MET 2 -27.368 -2.685 8.069 17 H GLY 3 HN GLY 3 -25.600 1.372 5.585 18 HA2 GLY 3 HA2 GLY 3 -23.475 0.023 5.848 19 HA3 GLY 3 HA1 GLY 3 -23.914 -0.676 4.295 20 H LYS 4 HN LYS 4 -21.803 1.333 5.562 21 HA LYS 4 HA LYS 4 -21.992 3.701 4.017 22 HB2 LYS 4 HB2 LYS 4 -20.498 2.973 6.122 23 HB3 LYS 4 HB1 LYS 4 -19.322 2.686 4.847 24 HG2 LYS 4 HG2 LYS 4 -19.638 5.018 4.089 25 HG3 LYS 4 HG1 LYS 4 -20.711 5.286 5.465 26 HD2 LYS 4 HD2 LYS 4 -17.785 4.542 5.557 27 HD3 LYS 4 HD1 LYS 4 -18.497 6.093 6.005 28 HE2 LYS 4 HE2 LYS 4 -18.967 3.450 7.390 29 HE3 LYS 4 HE1 LYS 4 -17.940 4.756 7.976 30 HZ1 LYS 4 HZ1 LYS 4 -19.690 5.897 8.742 31 HZ2 LYS 4 HZ2 LYS 4 -20.518 4.421 8.644 32 HZ3 LYS 4 HZ3 LYS 4 -20.659 5.555 7.388 33 H CYS 5 HN CYS 5 -20.666 0.541 3.428 34 HA CYS 5 HA CYS 5 -19.030 1.170 1.210 35 HB2 CYS 5 HB2 CYS 5 -18.807 -0.918 2.486 36 HB3 CYS 5 HB1 CYS 5 -20.395 -1.433 1.928 37 H SER 6 HN SER 6 -22.416 0.178 1.481 38 HA SER 6 HA SER 6 -22.805 -0.007 -1.347 39 HB2 SER 6 HB2 SER 6 -25.315 0.048 -0.441 40 HB3 SER 6 HB1 SER 6 -24.294 -1.385 -0.305 41 HG SER 6 HG SER 6 -24.630 0.603 1.712 42 H VAL 7 HN VAL 7 -21.818 2.595 -0.398 43 HA VAL 7 HA VAL 7 -24.021 4.262 -1.417 44 HB VAL 7 HB VAL 7 -21.862 5.162 0.511 45 HG11 VAL 7 HG11 VAL 7 -24.063 6.921 0.491 46 HG12 VAL 7 HG12 VAL 7 -23.638 6.621 -1.193 47 HG13 VAL 7 HG13 VAL 7 -22.421 7.234 -0.074 48 HG21 VAL 7 HG21 VAL 7 -23.301 3.745 1.736 49 HG22 VAL 7 HG22 VAL 7 -24.743 4.414 0.974 50 HG23 VAL 7 HG23 VAL 7 -23.810 5.394 2.105 51 H LEU 8 HN LEU 8 -20.469 4.214 -1.035 52 HA LEU 8 HA LEU 8 -20.233 5.633 -3.593 53 HB2 LEU 8 HB2 LEU 8 -19.023 6.522 -1.580 54 HB3 LEU 8 HB1 LEU 8 -18.081 5.043 -1.552 55 HG LEU 8 HG LEU 8 -17.149 5.602 -3.767 56 HD11 LEU 8 HD11 LEU 8 -17.499 8.060 -4.447 57 HD12 LEU 8 HD12 LEU 8 -18.962 7.967 -3.472 58 HD13 LEU 8 HD13 LEU 8 -18.755 6.891 -4.853 59 HD21 LEU 8 HD21 LEU 8 -16.335 8.037 -2.663 60 HD22 LEU 8 HD22 LEU 8 -15.541 6.467 -2.514 61 HD23 LEU 8 HD23 LEU 8 -16.705 6.988 -1.295 62 H LYS 9 HN LYS 9 -19.280 2.690 -1.942 63 HA LYS 9 HA LYS 9 -18.126 1.665 -4.404 64 HB2 LYS 9 HB2 LYS 9 -18.253 0.572 -1.586 65 HB3 LYS 9 HB1 LYS 9 -17.674 -0.365 -2.948 66 HG2 LYS 9 HG2 LYS 9 -15.734 0.473 -1.954 67 HG3 LYS 9 HG1 LYS 9 -16.010 1.535 -3.336 68 HD2 LYS 9 HD2 LYS 9 -15.613 3.097 -1.718 69 HD3 LYS 9 HD1 LYS 9 -17.360 2.926 -1.541 70 HE2 LYS 9 HE2 LYS 9 -16.694 2.735 0.642 71 HE3 LYS 9 HE1 LYS 9 -16.696 1.042 0.148 72 HZ1 LYS 9 HZ1 LYS 9 -14.686 1.633 1.369 73 HZ2 LYS 9 HZ2 LYS 9 -14.310 2.813 0.198 74 HZ3 LYS 9 HZ3 LYS 9 -14.322 1.172 -0.225 75 H LYS 10 HN LYS 10 -20.921 2.379 -3.994 76 HA LYS 10 HA LYS 10 -22.623 0.188 -3.653 77 HB2 LYS 10 HB2 LYS 10 -24.301 1.530 -4.824 78 HB3 LYS 10 HB1 LYS 10 -23.402 2.536 -3.691 79 HG2 LYS 10 HG2 LYS 10 -22.208 3.595 -5.411 80 HG3 LYS 10 HG1 LYS 10 -22.641 2.353 -6.586 81 HD2 LYS 10 HD2 LYS 10 -25.041 3.099 -6.308 82 HD3 LYS 10 HD1 LYS 10 -24.408 4.478 -5.398 83 HE2 LYS 10 HE2 LYS 10 -23.126 5.212 -7.303 84 HE3 LYS 10 HE1 LYS 10 -23.589 3.769 -8.210 85 HZ1 LYS 10 HZ1 LYS 10 -25.594 4.611 -8.707 86 HZ2 LYS 10 HZ2 LYS 10 -24.852 6.114 -8.391 87 HZ3 LYS 10 HZ3 LYS 10 -25.786 5.364 -7.194 88 H VAL 11 HN VAL 11 -20.472 1.003 -6.134 89 HA VAL 11 HA VAL 11 -21.753 -0.372 -8.313 90 HB VAL 11 HB VAL 11 -18.799 0.223 -8.140 91 HG11 VAL 11 HG11 VAL 11 -20.550 0.533 -10.549 92 HG12 VAL 11 HG12 VAL 11 -19.906 -1.043 -10.089 93 HG13 VAL 11 HG13 VAL 11 -18.805 0.284 -10.461 94 HG21 VAL 11 HG21 VAL 11 -20.874 2.138 -7.841 95 HG22 VAL 11 HG22 VAL 11 -20.139 2.368 -9.426 96 HG23 VAL 11 HG23 VAL 11 -19.136 2.411 -7.977 97 H ALA 12 HN ALA 12 -21.333 -1.791 -5.756 98 HA ALA 12 HA ALA 12 -20.856 -3.847 -4.952 99 HB1 ALA 12 HB1 ALA 12 -20.161 -5.317 -7.277 100 HB2 ALA 12 HB2 ALA 12 -21.474 -4.214 -7.688 101 HB3 ALA 12 HB3 ALA 12 -21.664 -5.352 -6.355 102 H CYS 13 HN CYS 13 -18.820 -2.219 -4.617 103 HA CYS 13 HA CYS 13 -16.645 -2.243 -3.955 104 HB2 CYS 13 HB2 CYS 13 -16.610 -5.058 -5.038 105 HB3 CYS 13 HB1 CYS 13 -15.308 -4.315 -4.117 106 H ALA 14 HN ALA 14 -17.513 -2.876 -7.214 107 HA ALA 14 HA ALA 14 -14.906 -2.731 -8.350 108 HB1 ALA 14 HB1 ALA 14 -17.531 -3.245 -9.268 109 HB2 ALA 14 HB2 ALA 14 -16.001 -3.482 -10.115 110 HB3 ALA 14 HB3 ALA 14 -16.856 -1.945 -10.252 111 H ALA 15 HN ALA 15 -16.010 -0.450 -6.587 112 HA ALA 15 HA ALA 15 -15.569 1.748 -8.477 113 HB1 ALA 15 HB1 ALA 15 -17.652 1.796 -7.125 114 HB2 ALA 15 HB2 ALA 15 -16.617 3.204 -6.880 115 HB3 ALA 15 HB3 ALA 15 -16.659 1.920 -5.671 116 H ALA 16 HN ALA 16 -14.341 0.240 -5.577 117 HA ALA 16 HA ALA 16 -12.065 2.113 -5.627 118 HB1 ALA 16 HB1 ALA 16 -13.220 0.760 -3.194 119 HB2 ALA 16 HB2 ALA 16 -13.470 2.449 -3.638 120 HB3 ALA 16 HB3 ALA 16 -11.856 1.873 -3.225 121 H ILE 17 HN ILE 17 -13.082 -1.148 -4.672 122 HA ILE 17 HA ILE 17 -10.499 -2.205 -4.348 123 HB ILE 17 HB ILE 17 -13.088 -3.624 -5.023 124 HG12 ILE 17 HG12 ILE 17 -11.720 -3.151 -2.365 125 HG13 ILE 17 HG11 ILE 17 -13.170 -2.321 -2.931 126 HG21 ILE 17 HG21 ILE 17 -10.818 -4.942 -3.607 127 HG22 ILE 17 HG22 ILE 17 -10.781 -4.818 -5.366 128 HG23 ILE 17 HG23 ILE 17 -12.111 -5.657 -4.568 129 HD11 ILE 17 HD11 ILE 17 -14.076 -4.788 -3.134 130 HD12 ILE 17 HD12 ILE 17 -14.110 -3.912 -1.604 131 HD13 ILE 17 HD13 ILE 17 -12.833 -5.086 -1.923 132 H ALA 18 HN ALA 18 -12.789 -2.210 -7.035 133 HA ALA 18 HA ALA 18 -10.632 -3.097 -8.780 134 HB1 ALA 18 HB1 ALA 18 -12.058 -4.433 -9.867 135 HB2 ALA 18 HB2 ALA 18 -13.281 -3.167 -9.960 136 HB3 ALA 18 HB3 ALA 18 -13.156 -4.166 -8.514 137 H GLY 19 HN GLY 19 -11.017 -0.406 -7.840 138 HA2 GLY 19 HA2 GLY 19 -11.499 0.896 -10.443 139 HA3 GLY 19 HA1 GLY 19 -12.118 1.596 -8.952 140 H ALA 20 HN ALA 20 -9.915 1.162 -7.271 141 HA ALA 20 HA ALA 20 -8.124 3.204 -8.272 142 HB1 ALA 20 HB1 ALA 20 -9.145 3.032 -5.889 143 HB2 ALA 20 HB2 ALA 20 -7.478 3.567 -6.081 144 HB3 ALA 20 HB3 ALA 20 -7.817 1.908 -5.597 145 H VAL 21 HN VAL 21 -8.155 0.312 -9.214 146 HA VAL 21 HA VAL 21 -5.771 -0.952 -8.371 147 HB VAL 21 HB VAL 21 -7.647 -2.093 -9.490 148 HG11 VAL 21 HG11 VAL 21 -8.279 -0.444 -11.128 149 HG12 VAL 21 HG12 VAL 21 -7.954 -1.989 -11.913 150 HG13 VAL 21 HG13 VAL 21 -6.762 -0.691 -11.992 151 HG21 VAL 21 HG21 VAL 21 -5.649 -2.799 -11.447 152 HG22 VAL 21 HG22 VAL 21 -6.276 -3.737 -10.092 153 HG23 VAL 21 HG23 VAL 21 -4.948 -2.603 -9.841 154 H ALA 22 HN ALA 22 -6.588 1.082 -11.091 155 HA ALA 22 HA ALA 22 -4.082 1.073 -12.366 156 HB1 ALA 22 HB1 ALA 22 -6.419 2.956 -12.465 157 HB2 ALA 22 HB2 ALA 22 -5.926 1.753 -13.654 158 HB3 ALA 22 HB3 ALA 22 -4.964 3.213 -13.431 159 H ALA 23 HN ALA 23 -5.292 2.867 -9.649 160 HA ALA 23 HA ALA 23 -3.530 5.049 -9.732 161 HB1 ALA 23 HB1 ALA 23 -4.004 4.682 -7.063 162 HB2 ALA 23 HB2 ALA 23 -5.392 3.901 -7.819 163 HB3 ALA 23 HB3 ALA 23 -5.026 5.590 -8.179 164 H CYS 24 HN CYS 24 -3.161 1.841 -8.234 165 HA CYS 24 HA CYS 24 -0.488 2.607 -7.297 166 HB2 CYS 24 HB2 CYS 24 -2.246 1.281 -5.892 167 HB3 CYS 24 HB1 CYS 24 -1.720 -0.099 -6.840 168 H GLY 25 HN GLY 25 -1.748 1.521 -10.095 169 HA2 GLY 25 HA2 GLY 25 -0.779 0.571 -11.958 170 HA3 GLY 25 HA1 GLY 25 0.755 0.611 -11.096 171 H GLY 26 HN GLY 26 -2.246 -1.010 -10.213 172 HA2 GLY 26 HA2 GLY 26 -2.180 -3.514 -10.982 173 HA3 GLY 26 HA1 GLY 26 -0.775 -3.524 -9.917 174 H ILE 27 HN ILE 27 -3.203 -5.054 -9.519 175 HA ILE 27 HA ILE 27 -4.601 -3.635 -7.417 176 HB ILE 27 HB ILE 27 -5.893 -5.019 -8.961 177 HG12 ILE 27 HG12 ILE 27 -6.173 -4.885 -6.212 178 HG13 ILE 27 HG11 ILE 27 -7.410 -5.405 -7.347 179 HG21 ILE 27 HG21 ILE 27 -5.595 -7.233 -9.352 180 HG22 ILE 27 HG22 ILE 27 -4.934 -7.544 -7.749 181 HG23 ILE 27 HG23 ILE 27 -3.930 -6.784 -8.980 182 HD11 ILE 27 HD11 ILE 27 -7.275 -7.557 -6.693 183 HD12 ILE 27 HD12 ILE 27 -6.608 -6.838 -5.223 184 HD13 ILE 27 HD13 ILE 27 -5.526 -7.488 -6.459 185 H ASP 28 HN ASP 28 -4.393 -3.896 -5.317 186 HA ASP 28 HA ASP 28 -2.896 -6.131 -4.237 187 HB2 ASP 28 HB2 ASP 28 -1.563 -4.509 -2.775 188 HB3 ASP 28 HB1 ASP 28 -1.081 -4.629 -4.461 189 H LEU 29 HN LEU 29 -3.149 -3.528 -2.100 190 HA LEU 29 HA LEU 29 -5.818 -3.566 -1.347 191 HB2 LEU 29 HB2 LEU 29 -5.727 -5.823 -0.741 192 HB3 LEU 29 HB1 LEU 29 -4.151 -5.660 0.002 193 HG LEU 29 HG LEU 29 -5.090 -4.507 1.900 194 HD11 LEU 29 HD11 LEU 29 -6.876 -3.194 1.469 195 HD12 LEU 29 HD12 LEU 29 -7.801 -4.662 1.806 196 HD13 LEU 29 HD13 LEU 29 -7.428 -4.223 0.141 197 HD21 LEU 29 HD21 LEU 29 -6.061 -7.129 1.021 198 HD22 LEU 29 HD22 LEU 29 -6.979 -6.399 2.336 199 HD23 LEU 29 HD23 LEU 29 -5.243 -6.655 2.510 200 HA PRO 30 HA PRO 30 -3.410 -1.617 2.237 201 HB2 PRO 30 HB2 PRO 30 -0.560 -2.146 1.888 202 HB3 PRO 30 HB1 PRO 30 -1.600 -2.487 3.273 203 HG2 PRO 30 HG2 PRO 30 -0.619 -4.472 1.749 204 HG3 PRO 30 HG1 PRO 30 -2.253 -4.563 2.441 205 HD2 PRO 30 HD2 PRO 30 -1.432 -3.690 -0.322 206 HD3 PRO 30 HD1 PRO 30 -2.661 -4.879 0.143 207 H CYS 31 HN CYS 31 -2.556 -1.387 -0.982 208 HA CYS 31 HA CYS 31 -1.384 1.265 -0.610 209 HB2 CYS 31 HB2 CYS 31 0.001 -0.103 -2.035 210 HB3 CYS 31 HB1 CYS 31 -1.388 -0.603 -2.994 211 H VAL 32 HN VAL 32 -3.910 -0.597 -2.153 212 HA VAL 32 HA VAL 32 -5.232 1.633 -3.360 213 HB VAL 32 HB VAL 32 -6.201 -1.195 -2.867 214 HG11 VAL 32 HG11 VAL 32 -7.924 -0.822 -4.314 215 HG12 VAL 32 HG12 VAL 32 -7.096 0.502 -5.129 216 HG13 VAL 32 HG13 VAL 32 -7.800 0.749 -3.532 217 HG21 VAL 32 HG21 VAL 32 -4.114 -1.185 -4.129 218 HG22 VAL 32 HG22 VAL 32 -4.815 -0.043 -5.277 219 HG23 VAL 32 HG23 VAL 32 -5.473 -1.672 -5.142 220 H LEU 33 HN LEU 33 -5.008 0.387 -0.233 221 HA LEU 33 HA LEU 33 -7.540 0.533 0.869 222 HB2 LEU 33 HB2 LEU 33 -5.620 -0.285 2.108 223 HB3 LEU 33 HB1 LEU 33 -4.916 1.322 2.133 224 HG LEU 33 HG LEU 33 -7.234 1.910 3.306 225 HD11 LEU 33 HD11 LEU 33 -6.818 -0.738 4.566 226 HD12 LEU 33 HD12 LEU 33 -7.711 -0.682 3.045 227 HD13 LEU 33 HD13 LEU 33 -8.278 0.243 4.438 228 HD21 LEU 33 HD21 LEU 33 -5.889 2.409 4.996 229 HD22 LEU 33 HD22 LEU 33 -4.594 1.589 4.126 230 HD23 LEU 33 HD23 LEU 33 -5.553 0.708 5.313 231 H ALA 34 HN ALA 34 -5.380 3.116 -0.042 232 HA ALA 34 HA ALA 34 -6.146 5.279 1.423 233 HB1 ALA 34 HB1 ALA 34 -5.720 5.484 -1.544 234 HB2 ALA 34 HB2 ALA 34 -4.403 5.154 -0.417 235 HB3 ALA 34 HB3 ALA 34 -5.317 6.659 -0.293 236 H ALA 35 HN ALA 35 -7.838 4.087 -1.484 237 HA ALA 35 HA ALA 35 -9.985 6.015 -0.926 238 HB1 ALA 35 HB1 ALA 35 -9.726 6.359 -3.126 239 HB2 ALA 35 HB2 ALA 35 -10.683 4.887 -3.301 240 HB3 ALA 35 HB3 ALA 35 -8.923 4.808 -3.382 241 H LEU 36 HN LEU 36 -9.631 3.638 0.671 242 HA LEU 36 HA LEU 36 -12.235 2.395 0.128 243 HB2 LEU 36 HB2 LEU 36 -10.383 0.930 -0.673 244 HB3 LEU 36 HB1 LEU 36 -9.761 0.885 0.964 245 HG LEU 36 HG LEU 36 -12.240 -0.004 1.451 246 HD11 LEU 36 HD11 LEU 36 -12.032 -0.065 -1.399 247 HD12 LEU 36 HD12 LEU 36 -13.386 -0.532 -0.366 248 HD13 LEU 36 HD13 LEU 36 -12.142 -1.711 -0.779 249 HD21 LEU 36 HD21 LEU 36 -9.943 -1.035 1.871 250 HD22 LEU 36 HD22 LEU 36 -10.179 -1.890 0.345 251 HD23 LEU 36 HD23 LEU 36 -11.308 -2.136 1.679 252 H LYS 37 HN LYS 37 -9.630 2.925 2.462 253 HA LYS 37 HA LYS 37 -10.881 1.930 4.744 254 HB2 LYS 37 HB2 LYS 37 -8.431 2.692 4.315 255 HB3 LYS 37 HB1 LYS 37 -8.987 4.267 4.846 256 HG2 LYS 37 HG2 LYS 37 -9.411 1.845 6.553 257 HG3 LYS 37 HG1 LYS 37 -7.864 2.687 6.542 258 HD2 LYS 37 HD2 LYS 37 -8.889 4.709 7.313 259 HD3 LYS 37 HD1 LYS 37 -10.504 4.019 7.115 260 HE2 LYS 37 HE2 LYS 37 -9.748 4.028 9.467 261 HE3 LYS 37 HE1 LYS 37 -10.095 2.416 8.848 262 HZ1 LYS 37 HZ1 LYS 37 -8.076 2.416 10.152 263 HZ2 LYS 37 HZ2 LYS 37 -7.381 3.601 9.154 264 HZ3 LYS 37 HZ3 LYS 37 -7.711 2.057 8.537 265 H ALA 38 HN ALA 38 -11.159 5.123 3.275 266 HA ALA 38 HA ALA 38 -12.322 6.469 5.427 267 HB1 ALA 38 HB1 ALA 38 -11.833 6.999 2.659 268 HB2 ALA 38 HB2 ALA 38 -12.014 8.126 4.002 269 HB3 ALA 38 HB3 ALA 38 -13.434 7.578 3.113 270 H ALA 39 HN ALA 39 -14.129 5.273 2.560 271 HA ALA 39 HA ALA 39 -16.566 5.408 4.158 272 HB1 ALA 39 HB1 ALA 39 -16.032 5.154 1.225 273 HB2 ALA 39 HB2 ALA 39 -16.917 6.406 2.098 274 HB3 ALA 39 HB3 ALA 39 -17.629 4.806 1.891 275 H GLU 40 HN GLU 40 -15.244 3.424 5.255 276 HA GLU 40 HA GLU 40 -15.471 1.286 5.965 277 HB2 GLU 40 HB2 GLU 40 -17.872 1.503 5.703 278 HB3 GLU 40 HB1 GLU 40 -17.751 1.179 3.979 279 HG2 GLU 40 HG2 GLU 40 -16.971 -1.087 4.468 280 HG3 GLU 40 HG1 GLU 40 -17.108 -0.759 6.193 281 H GLY 41 HN GLY 41 -14.406 -0.577 5.555 282 HA2 GLY 41 HA2 GLY 41 -12.979 -0.730 3.057 283 HA3 GLY 41 HA1 GLY 41 -12.792 -1.805 4.432 284 H CYS 42 HN CYS 42 -15.936 -1.950 4.116 285 HA CYS 42 HA CYS 42 -17.476 -3.322 3.165 286 HB2 CYS 42 HB2 CYS 42 -15.525 -3.711 0.893 287 HB3 CYS 42 HB1 CYS 42 -17.258 -4.018 0.866 288 H ALA 43 HN ALA 43 -17.420 -4.901 4.695 289 HA ALA 43 HA ALA 43 -15.418 -6.879 4.934 290 HB1 ALA 43 HB1 ALA 43 -16.590 -6.667 6.882 291 HB2 ALA 43 HB2 ALA 43 -17.401 -8.076 6.195 292 HB3 ALA 43 HB3 ALA 43 -18.139 -6.480 6.060 293 H SER 44 HN SER 44 -15.527 -9.100 4.528 294 HA SER 44 HA SER 44 -15.789 -10.979 3.335 295 HB2 SER 44 HB2 SER 44 -17.904 -11.758 2.772 296 HB3 SER 44 HB1 SER 44 -18.250 -10.593 4.049 297 HG SER 44 HG SER 44 -18.231 -9.353 1.665 298 H CYS 45 HN CYS 45 -16.432 -7.976 1.676 299 HA CYS 45 HA CYS 45 -16.046 -9.126 -0.940 300 HB2 CYS 45 HB2 CYS 45 -17.365 -6.961 -0.334 301 HB3 CYS 45 HB1 CYS 45 -15.780 -6.196 -0.298 302 H PHE 46 HN PHE 46 -14.214 -6.587 0.779 303 HA PHE 46 HA PHE 46 -11.798 -7.671 -0.442 304 HB2 PHE 46 HB2 PHE 46 -12.529 -5.044 0.132 305 HB3 PHE 46 HB1 PHE 46 -11.392 -5.452 1.416 306 HD1 PHE 46 HD2 PHE 46 -10.187 -7.551 -0.833 307 HD2 PHE 46 HD1 PHE 46 -10.689 -3.346 -0.437 308 HE1 PHE 46 HE2 PHE 46 -8.325 -7.194 -2.384 309 HE2 PHE 46 HE1 PHE 46 -8.830 -2.981 -2.003 310 HZ PHE 46 HZ PHE 46 -7.637 -4.917 -2.977 311 H CYS 47 HN CYS 47 -9.922 -7.925 1.111 312 HA CYS 47 HA CYS 47 -8.952 -8.849 2.942 313 HB2 CYS 47 HB2 CYS 47 -11.612 -8.321 4.239 314 HB3 CYS 47 HB1 CYS 47 -10.187 -8.905 5.092 315 H GLU 48 HN GLU 48 -11.443 -10.163 1.197 316 HA GLU 48 HA GLU 48 -12.177 -12.443 2.659 317 HB2 GLU 48 HB2 GLU 48 -12.981 -11.442 0.318 318 HB3 GLU 48 HB1 GLU 48 -11.797 -12.550 -0.316 319 HG2 GLU 48 HG2 GLU 48 -14.088 -13.464 -0.306 320 HG3 GLU 48 HG1 GLU 48 -12.908 -14.446 0.555 321 H ASP 49 HN ASP 49 -10.498 -13.062 -0.326 322 HA ASP 49 HA ASP 49 -8.941 -15.197 0.778 323 HB2 ASP 49 HB2 ASP 49 -9.791 -14.932 -1.653 324 HB3 ASP 49 HB1 ASP 49 -8.455 -13.807 -1.869 325 H HIS 50 HN HIS 50 -8.620 -11.916 -0.040 326 HA HIS 50 HA HIS 50 -5.792 -11.665 0.541 327 HB2 HIS 50 HB2 HIS 50 -6.697 -9.133 0.122 328 HB3 HIS 50 HB1 HIS 50 -6.232 -10.219 -1.186 329 HD2 HIS 50 HD2 HIS 50 -8.227 -10.496 -3.044 330 HE1 HIS 50 HE1 HIS 50 -11.514 -9.519 -0.605 331 HE2 HIS 50 HE2 HIS 50 -10.785 -10.359 -2.853 332 H CYS 51 HN CYS 51 -6.770 -12.581 2.769 333 HA CYS 51 HA CYS 51 -7.683 -10.436 4.517 334 HB2 CYS 51 HB2 CYS 51 -8.690 -12.785 4.523 335 HB3 CYS 51 HB1 CYS 51 -7.174 -13.337 5.224 336 H HIS 52 HN HIS 52 -5.432 -9.539 3.893 337 HA HIS 52 HA HIS 52 -3.720 -9.949 6.137 338 HB2 HIS 52 HB2 HIS 52 -3.058 -11.839 4.746 339 HB3 HIS 52 HB1 HIS 52 -2.839 -10.778 3.368 340 HD2 HIS 52 HD2 HIS 52 -1.050 -9.103 6.255 341 HE1 HIS 52 HE1 HIS 52 1.786 -11.608 4.334 342 HE2 HIS 52 HE2 HIS 52 1.447 -9.520 5.701 343 H GLY 53 HN GLY 53 -2.545 -8.079 6.517 344 HA2 GLY 53 HA2 GLY 53 -1.215 -6.279 5.510 345 HA3 GLY 53 HA1 GLY 53 -2.468 -6.143 4.291 346 H VAL 54 HN VAL 54 -2.533 -3.919 4.780 347 HA VAL 54 HA VAL 54 -3.204 -2.896 7.341 348 HB VAL 54 HB VAL 54 -3.395 -0.778 6.291 349 HG11 VAL 54 HG11 VAL 54 -1.136 -1.155 6.182 350 HG12 VAL 54 HG12 VAL 54 -1.485 -0.936 4.462 351 HG13 VAL 54 HG13 VAL 54 -1.307 -2.564 5.126 352 HG21 VAL 54 HG21 VAL 54 -3.718 -0.445 3.923 353 HG22 VAL 54 HG22 VAL 54 -5.004 -1.469 4.560 354 HG23 VAL 54 HG23 VAL 54 -3.678 -2.183 3.643 355 H CYS 55 HN CYS 55 -5.090 -4.654 5.198 356 HA CYS 55 HA CYS 55 -7.521 -3.164 5.476 357 HB2 CYS 55 HB2 CYS 55 -8.298 -4.561 3.931 358 HB3 CYS 55 HB1 CYS 55 -6.647 -5.115 3.775 359 H LYS 56 HN LYS 56 -6.095 -5.976 6.989 360 HA LYS 56 HA LYS 56 -8.316 -6.602 8.645 361 HB2 LYS 56 HB2 LYS 56 -5.394 -7.294 8.978 362 HB3 LYS 56 HB1 LYS 56 -6.685 -7.935 9.985 363 HG2 LYS 56 HG2 LYS 56 -7.702 -8.683 7.696 364 HG3 LYS 56 HG1 LYS 56 -6.037 -8.514 7.136 365 HD2 LYS 56 HD2 LYS 56 -6.368 -10.786 7.816 366 HD3 LYS 56 HD1 LYS 56 -5.324 -10.000 9.005 367 HE2 LYS 56 HE2 LYS 56 -7.248 -9.687 10.488 368 HE3 LYS 56 HE1 LYS 56 -8.301 -10.449 9.296 369 HZ1 LYS 56 HZ1 LYS 56 -6.029 -12.057 10.002 370 HZ2 LYS 56 HZ2 LYS 56 -7.677 -12.475 9.932 371 HZ3 LYS 56 HZ3 LYS 56 -7.045 -11.726 11.315 372 H ASP 57 HN ASP 57 -6.183 -4.040 8.697 373 HA ASP 57 HA ASP 57 -5.888 -3.565 11.477 374 HB2 ASP 57 HB2 ASP 57 -4.468 -2.449 9.831 375 HB3 ASP 57 HB1 ASP 57 -5.866 -1.657 9.119 376 H LEU 58 HN LEU 58 -8.355 -2.901 9.109 377 HA LEU 58 HA LEU 58 -9.971 -1.341 10.972 378 HB2 LEU 58 HB2 LEU 58 -9.653 -1.065 8.336 379 HB3 LEU 58 HB1 LEU 58 -10.954 -2.236 8.294 380 HG LEU 58 HG LEU 58 -11.180 0.371 9.797 381 HD11 LEU 58 HD11 LEU 58 -10.765 0.347 7.156 382 HD12 LEU 58 HD12 LEU 58 -11.848 1.490 7.950 383 HD13 LEU 58 HD13 LEU 58 -12.503 0.049 7.173 384 HD21 LEU 58 HD21 LEU 58 -13.295 -0.213 10.235 385 HD22 LEU 58 HD22 LEU 58 -12.764 -1.854 9.865 386 HD23 LEU 58 HD23 LEU 58 -13.547 -0.876 8.621 387 H HIS 59 HN HIS 59 -9.521 -4.520 9.827 388 HA HIS 59 HA HIS 59 -10.361 -6.533 10.449 389 HB2 HIS 59 HB2 HIS 59 -10.699 -5.442 12.710 390 HB3 HIS 59 HB1 HIS 59 -12.350 -5.096 12.211 391 HD2 HIS 59 HD2 HIS 59 -10.452 -7.802 13.997 392 HE1 HIS 59 HE1 HIS 59 -13.980 -9.657 12.546 393 HE2 HIS 59 HE2 HIS 59 -11.893 -9.952 13.931 394 H LEU 60 HN LEU 60 -11.153 -7.143 8.525 395 HA LEU 60 HA LEU 60 -14.013 -6.759 8.068 396 HB2 LEU 60 HB2 LEU 60 -11.901 -6.550 5.923 397 HB3 LEU 60 HB1 LEU 60 -13.632 -6.389 5.694 398 HG LEU 60 HG LEU 60 -12.057 -4.499 7.434 399 HD11 LEU 60 HD11 LEU 60 -12.754 -4.190 4.520 400 HD12 LEU 60 HD12 LEU 60 -11.133 -4.445 5.168 401 HD13 LEU 60 HD13 LEU 60 -12.016 -2.966 5.548 402 HD21 LEU 60 HD21 LEU 60 -14.585 -3.881 5.974 403 HD22 LEU 60 HD22 LEU 60 -13.943 -3.189 7.465 404 HD23 LEU 60 HD23 LEU 60 -14.647 -4.805 7.475 405 H CYS 61 HN CYS 61 -11.632 -8.898 8.606 406 HA CYS 61 HA CYS 61 -13.130 -11.111 7.535 407 HB2 CYS 61 HB2 CYS 61 -11.289 -12.055 6.193 408 HB3 CYS 61 HB1 CYS 61 -11.758 -10.480 5.572 409 H1 ALA 62 HT1 ALA 62 29.957 2.887 5.365 410 H2 ALA 62 HT2 ALA 62 30.243 1.510 6.361 411 H3 ALA 62 HT3 ALA 62 29.544 2.933 7.034 412 HA ALA 62 HA ALA 62 28.302 1.361 4.886 413 HB1 ALA 62 HB1 ALA 62 26.767 0.783 6.978 414 HB2 ALA 62 HB2 ALA 62 28.302 0.974 7.830 415 HB3 ALA 62 HB3 ALA 62 28.155 -0.209 6.527 416 H MET 63 HN MET 63 26.325 2.148 4.274 417 HA MET 63 HA MET 63 25.565 4.729 5.469 418 HB2 MET 63 HB2 MET 63 24.463 5.219 3.292 419 HB3 MET 63 HB1 MET 63 26.204 5.023 3.166 420 HG2 MET 63 HG2 MET 63 25.861 2.726 2.348 421 HG3 MET 63 HG1 MET 63 24.119 2.983 2.422 422 HE1 MET 63 HE1 MET 63 23.296 5.274 1.686 423 HE2 MET 63 HE2 MET 63 22.956 4.971 -0.018 424 HE3 MET 63 HE3 MET 63 24.032 6.289 0.447 425 H GLY 64 HN GLY 64 23.322 5.183 5.754 426 HA2 GLY 64 HA2 GLY 64 21.017 4.513 5.701 427 HA3 GLY 64 HA1 GLY 64 21.549 2.840 5.601 428 H LYS 65 HN LYS 65 19.669 3.308 7.407 429 HA LYS 65 HA LYS 65 21.150 3.165 9.939 430 HB2 LYS 65 HB2 LYS 65 19.847 5.377 9.457 431 HB3 LYS 65 HB1 LYS 65 18.419 4.413 9.807 432 HG2 LYS 65 HG2 LYS 65 18.832 4.357 12.019 433 HG3 LYS 65 HG1 LYS 65 20.579 4.236 11.795 434 HD2 LYS 65 HD2 LYS 65 20.221 6.331 12.815 435 HD3 LYS 65 HD1 LYS 65 20.514 6.688 11.113 436 HE2 LYS 65 HE2 LYS 65 17.741 6.397 12.254 437 HE3 LYS 65 HE1 LYS 65 18.611 7.929 12.273 438 HZ1 LYS 65 HZ1 LYS 65 17.738 6.384 9.896 439 HZ2 LYS 65 HZ2 LYS 65 18.804 7.694 9.799 440 HZ3 LYS 65 HZ3 LYS 65 17.228 7.925 10.378 441 H CYS 66 HN CYS 66 20.523 0.972 8.441 442 HA CYS 66 HA CYS 66 18.261 -0.234 9.905 443 HB2 CYS 66 HB2 CYS 66 17.864 0.009 7.464 444 HB3 CYS 66 HB1 CYS 66 19.284 -0.985 7.159 445 H SER 67 HN SER 67 21.479 -0.790 8.527 446 HA SER 67 HA SER 67 21.733 -3.426 9.593 447 HB2 SER 67 HB2 SER 67 23.876 -1.546 8.576 448 HB3 SER 67 HB1 SER 67 24.060 -3.280 8.839 449 HG SER 67 HG SER 67 23.610 -2.985 6.680 450 H VAL 68 HN VAL 68 21.026 -1.498 11.623 451 HA VAL 68 HA VAL 68 23.375 -1.777 13.377 452 HB VAL 68 HB VAL 68 21.303 0.425 13.580 453 HG11 VAL 68 HG11 VAL 68 23.076 -0.543 15.468 454 HG12 VAL 68 HG12 VAL 68 22.267 1.025 15.495 455 HG13 VAL 68 HG13 VAL 68 23.887 0.881 14.812 456 HG21 VAL 68 HG21 VAL 68 22.594 1.852 12.368 457 HG22 VAL 68 HG22 VAL 68 23.032 0.345 11.560 458 HG23 VAL 68 HG23 VAL 68 24.096 1.030 12.789 459 H LEU 69 HN LEU 69 19.844 -1.222 13.506 460 HA LEU 69 HA LEU 69 19.734 -2.977 15.852 461 HB2 LEU 69 HB2 LEU 69 18.597 -0.775 15.981 462 HB3 LEU 69 HB1 LEU 69 17.583 -1.239 14.629 463 HG LEU 69 HG LEU 69 16.606 -3.052 15.988 464 HD11 LEU 69 HD11 LEU 69 18.827 -2.458 17.685 465 HD12 LEU 69 HD12 LEU 69 17.661 -3.778 17.798 466 HD13 LEU 69 HD13 LEU 69 17.328 -2.234 18.587 467 HD21 LEU 69 HD21 LEU 69 15.064 -1.520 16.438 468 HD22 LEU 69 HD22 LEU 69 16.270 -0.235 16.349 469 HD23 LEU 69 HD23 LEU 69 15.975 -1.061 17.879 470 H LYS 70 HN LYS 70 18.514 -2.603 12.584 471 HA LYS 70 HA LYS 70 17.186 -5.170 12.691 472 HB2 LYS 70 HB2 LYS 70 17.610 -3.216 10.419 473 HB3 LYS 70 HB1 LYS 70 16.686 -4.691 10.303 474 HG2 LYS 70 HG2 LYS 70 15.030 -3.112 10.574 475 HG3 LYS 70 HG1 LYS 70 15.265 -3.679 12.227 476 HD2 LYS 70 HD2 LYS 70 16.432 -1.751 12.850 477 HD3 LYS 70 HD1 LYS 70 16.766 -1.303 11.177 478 HE2 LYS 70 HE2 LYS 70 15.081 0.174 12.036 479 HE3 LYS 70 HE1 LYS 70 14.336 -0.898 10.852 480 HZ1 LYS 70 HZ1 LYS 70 13.974 -2.226 13.201 481 HZ2 LYS 70 HZ2 LYS 70 12.813 -1.249 12.438 482 HZ3 LYS 70 HZ3 LYS 70 13.790 -0.599 13.664 483 H LYS 71 HN LYS 71 20.096 -4.784 13.117 484 HA LYS 71 HA LYS 71 21.552 -5.709 10.886 485 HB2 LYS 71 HB2 LYS 71 23.374 -6.146 12.469 486 HB3 LYS 71 HB1 LYS 71 22.668 -4.558 12.737 487 HG2 LYS 71 HG2 LYS 71 23.051 -5.432 14.878 488 HG3 LYS 71 HG1 LYS 71 21.323 -5.664 14.614 489 HD2 LYS 71 HD2 LYS 71 21.692 -7.991 14.039 490 HD3 LYS 71 HD1 LYS 71 23.434 -7.777 14.169 491 HE2 LYS 71 HE2 LYS 71 21.536 -7.347 16.472 492 HE3 LYS 71 HE1 LYS 71 22.286 -8.902 16.118 493 HZ1 LYS 71 HZ1 LYS 71 24.471 -7.610 16.227 494 HZ2 LYS 71 HZ2 LYS 71 23.677 -7.941 17.686 495 HZ3 LYS 71 HZ3 LYS 71 23.583 -6.393 16.999 496 H VAL 72 HN VAL 72 19.317 -7.227 12.809 497 HA VAL 72 HA VAL 72 20.379 -9.876 12.946 498 HB VAL 72 HB VAL 72 17.429 -9.303 12.935 499 HG11 VAL 72 HG11 VAL 72 18.313 -11.623 13.164 500 HG12 VAL 72 HG12 VAL 72 17.310 -11.085 14.510 501 HG13 VAL 72 HG13 VAL 72 19.066 -11.126 14.679 502 HG21 VAL 72 HG21 VAL 72 18.015 -7.580 14.362 503 HG22 VAL 72 HG22 VAL 72 19.428 -8.438 14.975 504 HG23 VAL 72 HG23 VAL 72 17.814 -8.929 15.481 505 H ALA 73 HN ALA 73 20.255 -8.432 10.324 506 HA ALA 73 HA ALA 73 20.067 -8.902 8.131 507 HB1 ALA 73 HB1 ALA 73 19.247 -11.703 8.430 508 HB2 ALA 73 HB2 ALA 73 20.744 -11.267 9.250 509 HB3 ALA 73 HB3 ALA 73 20.579 -10.994 7.516 510 H CYS 74 HN CYS 74 18.014 -7.584 8.864 511 HA CYS 74 HA CYS 74 15.913 -6.986 8.251 512 HB2 CYS 74 HB2 CYS 74 15.817 -9.476 6.555 513 HB3 CYS 74 HB1 CYS 74 14.919 -7.979 6.325 514 H ALA 75 HN ALA 75 16.527 -9.639 10.092 515 HA ALA 75 HA ALA 75 13.855 -10.690 10.252 516 HB1 ALA 75 HB1 ALA 75 14.783 -12.057 12.117 517 HB2 ALA 75 HB2 ALA 75 16.328 -11.239 11.874 518 HB3 ALA 75 HB3 ALA 75 15.645 -12.231 10.584 519 H ALA 76 HN ALA 76 14.930 -7.834 11.232 520 HA ALA 76 HA ALA 76 13.711 -7.927 13.892 521 HB1 ALA 76 HB1 ALA 76 15.989 -6.835 13.379 522 HB2 ALA 76 HB2 ALA 76 14.852 -5.980 14.421 523 HB3 ALA 76 HB3 ALA 76 15.031 -5.501 12.734 524 H ALA 77 HN ALA 77 13.599 -5.788 11.030 525 HA ALA 77 HA ALA 77 11.014 -4.792 11.909 526 HB1 ALA 77 HB1 ALA 77 11.802 -2.915 11.043 527 HB2 ALA 77 HB2 ALA 77 11.618 -3.635 9.441 528 HB3 ALA 77 HB3 ALA 77 13.156 -3.766 10.296 529 H ILE 78 HN ILE 78 12.349 -6.655 9.215 530 HA ILE 78 HA ILE 78 9.810 -6.790 7.858 531 HB ILE 78 HB ILE 78 12.441 -8.190 7.344 532 HG12 ILE 78 HG12 ILE 78 11.152 -5.936 5.801 533 HG13 ILE 78 HG11 ILE 78 12.252 -5.651 7.157 534 HG21 ILE 78 HG21 ILE 78 11.489 -8.626 5.075 535 HG22 ILE 78 HG22 ILE 78 9.918 -8.110 5.695 536 HG23 ILE 78 HG23 ILE 78 10.710 -9.535 6.372 537 HD11 ILE 78 HD11 ILE 78 13.271 -5.549 4.874 538 HD12 ILE 78 HD12 ILE 78 13.003 -7.288 4.761 539 HD13 ILE 78 HD13 ILE 78 14.061 -6.640 6.012 540 H ALA 79 HN ALA 79 11.966 -9.183 9.407 541 HA ALA 79 HA ALA 79 9.828 -11.106 9.463 542 HB1 ALA 79 HB1 ALA 79 12.379 -11.538 9.149 543 HB2 ALA 79 HB2 ALA 79 11.386 -12.692 10.038 544 HB3 ALA 79 HB3 ALA 79 12.392 -11.537 10.911 545 H GLY 80 HN GLY 80 9.992 -8.489 11.075 546 HA2 GLY 80 HA2 GLY 80 9.375 -9.659 13.715 547 HA3 GLY 80 HA1 GLY 80 10.005 -8.032 13.487 548 H ALA 81 HN ALA 81 8.420 -7.246 11.303 549 HA ALA 81 HA ALA 81 6.009 -6.529 12.657 550 HB1 ALA 81 HB1 ALA 81 6.362 -6.100 9.727 551 HB2 ALA 81 HB2 ALA 81 7.376 -5.208 10.861 552 HB3 ALA 81 HB3 ALA 81 5.622 -5.053 10.938 553 H VAL 82 HN VAL 82 6.954 -9.245 11.027 554 HA VAL 82 HA VAL 82 4.715 -9.978 9.508 555 HB VAL 82 HB VAL 82 6.890 -11.137 9.449 556 HG11 VAL 82 HG11 VAL 82 7.400 -12.875 11.138 557 HG12 VAL 82 HG12 VAL 82 6.127 -12.185 12.144 558 HG13 VAL 82 HG13 VAL 82 7.540 -11.215 11.724 559 HG21 VAL 82 HG21 VAL 82 5.515 -12.552 8.395 560 HG22 VAL 82 HG22 VAL 82 4.324 -12.514 9.696 561 HG23 VAL 82 HG23 VAL 82 5.745 -13.551 9.832 562 H ALA 83 HN ALA 83 5.560 -10.393 12.854 563 HA ALA 83 HA ALA 83 3.277 -11.889 13.640 564 HB1 ALA 83 HB1 ALA 83 4.494 -12.154 15.481 565 HB2 ALA 83 HB2 ALA 83 4.366 -10.432 15.843 566 HB3 ALA 83 HB3 ALA 83 5.686 -11.025 14.833 567 H ALA 84 HN ALA 84 3.925 -8.494 13.287 568 HA ALA 84 HA ALA 84 1.682 -7.647 14.868 569 HB1 ALA 84 HB1 ALA 84 3.463 -6.074 13.014 570 HB2 ALA 84 HB2 ALA 84 3.666 -6.251 14.758 571 HB3 ALA 84 HB3 ALA 84 2.267 -5.390 14.116 572 H CYS 85 HN CYS 85 2.451 -7.756 11.395 573 HA CYS 85 HA CYS 85 -0.146 -6.758 10.651 574 HB2 CYS 85 HB2 CYS 85 1.918 -6.355 9.305 575 HB3 CYS 85 HB1 CYS 85 1.945 -8.067 8.904 576 H GLY 86 HN GLY 86 1.521 -9.884 10.440 577 HA2 GLY 86 HA2 GLY 86 0.169 -11.847 11.073 578 HA3 GLY 86 HA1 GLY 86 -1.132 -11.129 10.135 579 H GLY 87 HN GLY 87 2.293 -11.361 9.294 580 HA2 GLY 87 HA2 GLY 87 2.743 -13.470 7.855 581 HA3 GLY 87 HA1 GLY 87 1.489 -12.768 6.844 582 H ILE 88 HN ILE 88 3.713 -13.179 5.559 583 HA ILE 88 HA ILE 88 5.243 -10.674 5.621 584 HB ILE 88 HB ILE 88 5.924 -13.398 4.526 585 HG12 ILE 88 HG12 ILE 88 6.361 -12.867 6.926 586 HG13 ILE 88 HG11 ILE 88 7.821 -13.241 6.014 587 HG21 ILE 88 HG21 ILE 88 6.513 -11.352 2.997 588 HG22 ILE 88 HG22 ILE 88 7.711 -12.610 3.304 589 HG23 ILE 88 HG23 ILE 88 7.785 -11.089 4.192 590 HD11 ILE 88 HD11 ILE 88 6.846 -10.497 6.774 591 HD12 ILE 88 HD12 ILE 88 8.282 -10.838 5.809 592 HD13 ILE 88 HD13 ILE 88 8.203 -11.371 7.489 593 H ASP 89 HN ASP 89 4.756 -9.199 4.215 594 HA ASP 89 HA ASP 89 4.012 -9.934 1.493 595 HB2 ASP 89 HB2 ASP 89 2.258 -8.120 1.488 596 HB3 ASP 89 HB1 ASP 89 1.850 -9.531 2.454 597 H LEU 90 HN LEU 90 3.553 -6.655 2.329 598 HA LEU 90 HA LEU 90 6.191 -5.704 2.245 599 HB2 LEU 90 HB2 LEU 90 5.716 -6.654 -0.141 600 HB3 LEU 90 HB1 LEU 90 4.762 -5.202 -0.343 601 HG LEU 90 HG LEU 90 6.718 -4.525 -1.257 602 HD11 LEU 90 HD11 LEU 90 8.114 -3.241 0.402 603 HD12 LEU 90 HD12 LEU 90 7.050 -3.881 1.661 604 HD13 LEU 90 HD13 LEU 90 6.392 -2.862 0.373 605 HD21 LEU 90 HD21 LEU 90 8.002 -6.463 -1.077 606 HD22 LEU 90 HD22 LEU 90 8.094 -6.337 0.681 607 HD23 LEU 90 HD23 LEU 90 8.974 -5.192 -0.333 608 HA PRO 91 HA PRO 91 3.132 -2.044 1.419 609 HB2 PRO 91 HB2 PRO 91 0.481 -3.327 1.564 610 HB3 PRO 91 HB1 PRO 91 1.095 -2.115 0.438 611 HG2 PRO 91 HG2 PRO 91 0.734 -4.623 -0.356 612 HG3 PRO 91 HG1 PRO 91 2.154 -3.703 -0.899 613 HD2 PRO 91 HD2 PRO 91 1.945 -5.731 1.304 614 HD3 PRO 91 HD1 PRO 91 3.173 -5.589 0.021 615 H CYS 92 HN CYS 92 2.103 -4.556 3.725 616 HA CYS 92 HA CYS 92 1.240 -2.433 5.519 617 HB2 CYS 92 HB2 CYS 92 0.310 -4.078 6.946 618 HB3 CYS 92 HB1 CYS 92 -0.077 -4.593 5.310 619 H VAL 93 HN VAL 93 3.727 -4.919 5.258 620 HA VAL 93 HA VAL 93 4.947 -4.466 7.746 621 HB VAL 93 HB VAL 93 6.461 -5.372 5.321 622 HG11 VAL 93 HG11 VAL 93 7.781 -6.534 6.788 623 HG12 VAL 93 HG12 VAL 93 6.511 -6.643 8.010 624 HG13 VAL 93 HG13 VAL 93 7.352 -5.115 7.743 625 HG21 VAL 93 HG21 VAL 93 4.009 -6.535 6.276 626 HG22 VAL 93 HG22 VAL 93 5.352 -7.659 6.469 627 HG23 VAL 93 HG23 VAL 93 4.998 -6.979 4.884 628 H LEU 94 HN LEU 94 5.126 -2.850 4.669 629 HA LEU 94 HA LEU 94 7.561 -1.535 4.804 630 HB2 LEU 94 HB2 LEU 94 6.118 -1.498 2.832 631 HB3 LEU 94 HB1 LEU 94 4.946 -0.515 3.694 632 HG LEU 94 HG LEU 94 6.817 1.218 3.928 633 HD11 LEU 94 HD11 LEU 94 8.602 1.121 2.322 634 HD12 LEU 94 HD12 LEU 94 8.007 -0.419 1.702 635 HD13 LEU 94 HD13 LEU 94 8.645 -0.317 3.344 636 HD21 LEU 94 HD21 LEU 94 5.894 2.302 2.207 637 HD22 LEU 94 HD22 LEU 94 4.859 0.881 2.073 638 HD23 LEU 94 HD23 LEU 94 6.294 1.025 1.058 639 H ALA 95 HN ALA 95 4.410 -0.548 6.101 640 HA ALA 95 HA ALA 95 5.096 1.983 7.057 641 HB1 ALA 95 HB1 ALA 95 3.092 0.268 8.464 642 HB2 ALA 95 HB2 ALA 95 2.793 0.830 6.818 643 HB3 ALA 95 HB3 ALA 95 3.040 1.997 8.118 644 H ALA 96 HN ALA 96 5.167 -1.153 8.740 645 HA ALA 96 HA ALA 96 6.097 -0.026 11.205 646 HB1 ALA 96 HB1 ALA 96 6.623 -2.507 11.691 647 HB2 ALA 96 HB2 ALA 96 5.780 -2.822 10.173 648 HB3 ALA 96 HB3 ALA 96 4.939 -2.022 11.501 649 H LEU 97 HN LEU 97 7.565 -1.023 8.279 650 HA LEU 97 HA LEU 97 10.187 -1.493 9.364 651 HB2 LEU 97 HB2 LEU 97 9.409 -2.621 7.321 652 HB3 LEU 97 HB1 LEU 97 9.255 -1.076 6.515 653 HG LEU 97 HG LEU 97 11.949 -1.888 7.543 654 HD11 LEU 97 HD11 LEU 97 10.683 -2.885 4.989 655 HD12 LEU 97 HD12 LEU 97 11.144 -3.874 6.375 656 HD13 LEU 97 HD13 LEU 97 12.384 -3.057 5.422 657 HD21 LEU 97 HD21 LEU 97 10.878 0.205 5.967 658 HD22 LEU 97 HD22 LEU 97 11.881 -0.789 4.908 659 HD23 LEU 97 HD23 LEU 97 12.567 -0.093 6.377 660 H LYS 98 HN LYS 98 8.384 1.190 8.093 661 HA LYS 98 HA LYS 98 10.624 2.907 7.638 662 HB2 LYS 98 HB2 LYS 98 8.146 2.981 6.722 663 HB3 LYS 98 HB1 LYS 98 7.893 3.998 8.136 664 HG2 LYS 98 HG2 LYS 98 9.791 5.427 7.342 665 HG3 LYS 98 HG1 LYS 98 9.785 4.486 5.847 666 HD2 LYS 98 HD2 LYS 98 7.316 5.082 5.659 667 HD3 LYS 98 HD1 LYS 98 7.604 6.248 6.949 668 HE2 LYS 98 HE2 LYS 98 8.937 6.195 4.240 669 HE3 LYS 98 HE1 LYS 98 7.718 7.342 4.792 670 HZ1 LYS 98 HZ1 LYS 98 9.626 7.559 6.693 671 HZ2 LYS 98 HZ2 LYS 98 9.453 8.589 5.357 672 HZ3 LYS 98 HZ3 LYS 98 10.553 7.306 5.288 673 H ALA 99 HN ALA 99 10.988 1.895 10.152 674 HA ALA 99 HA ALA 99 10.227 4.045 12.004 675 HB1 ALA 99 HB1 ALA 99 11.302 1.269 12.444 676 HB2 ALA 99 HB2 ALA 99 9.772 1.954 12.990 677 HB3 ALA 99 HB3 ALA 99 11.287 2.480 13.724 678 H ALA 100 HN ALA 100 12.681 3.024 9.992 679 HA ALA 100 HA ALA 100 14.512 5.030 10.995 680 HB1 ALA 100 HB1 ALA 100 14.899 2.363 11.745 681 HB2 ALA 100 HB2 ALA 100 16.067 3.679 11.861 682 HB3 ALA 100 HB3 ALA 100 16.043 2.644 10.432 683 H GLU 101 HN GLU 101 16.678 3.830 9.322 684 HA GLU 101 HA GLU 101 15.529 4.486 6.687 685 HB2 GLU 101 HB2 GLU 101 18.309 4.890 7.778 686 HB3 GLU 101 HB1 GLU 101 17.929 5.028 6.071 687 HG2 GLU 101 HG2 GLU 101 16.328 6.831 6.623 688 HG3 GLU 101 HG1 GLU 101 16.858 6.733 8.304 689 H GLY 102 HN GLY 102 16.533 3.447 4.824 690 HA2 GLY 102 HA2 GLY 102 17.408 1.668 3.660 691 HA3 GLY 102 HA1 GLY 102 18.200 1.159 5.140 692 H CYS 103 HN CYS 103 17.796 -0.955 5.064 693 HA CYS 103 HA CYS 103 16.709 -2.904 5.462 694 HB2 CYS 103 HB2 CYS 103 14.256 -1.183 5.914 695 HB3 CYS 103 HB1 CYS 103 14.380 -2.901 6.272 696 H ALA 104 HN ALA 104 17.158 -2.011 2.942 697 HA ALA 104 HA ALA 104 14.856 -3.092 1.456 698 HB1 ALA 104 HB1 ALA 104 15.859 -0.649 1.029 699 HB2 ALA 104 HB2 ALA 104 15.239 -1.650 -0.282 700 HB3 ALA 104 HB3 ALA 104 16.974 -1.574 0.022 701 H SER 105 HN SER 105 16.381 -3.547 -0.919 702 HA SER 105 HA SER 105 17.732 -5.054 -1.935 703 HB2 SER 105 HB2 SER 105 19.235 -5.217 0.685 704 HB3 SER 105 HB1 SER 105 19.829 -5.683 -0.909 705 HG SER 105 HG SER 105 20.615 -3.677 -0.628 706 H CYS 106 HN CYS 106 17.254 -6.194 1.450 707 HA CYS 106 HA CYS 106 17.040 -8.919 0.501 708 HB2 CYS 106 HB2 CYS 106 16.626 -9.491 2.841 709 HB3 CYS 106 HB1 CYS 106 18.023 -8.428 2.704 710 H PHE 107 HN PHE 107 14.883 -6.370 1.548 711 HA PHE 107 HA PHE 107 12.582 -8.108 1.404 712 HB2 PHE 107 HB2 PHE 107 12.998 -6.204 3.099 713 HB3 PHE 107 HB1 PHE 107 12.481 -5.135 1.802 714 HD1 PHE 107 HD2 PHE 107 10.760 -8.120 1.347 715 HD2 PHE 107 HD1 PHE 107 10.887 -4.705 3.876 716 HE1 PHE 107 HE2 PHE 107 8.418 -8.498 1.966 717 HE2 PHE 107 HE1 PHE 107 8.560 -5.086 4.518 718 HZ PHE 107 HZ PHE 107 7.310 -6.974 3.533 719 H CYS 108 HN CYS 108 12.232 -4.843 0.323 720 HA CYS 108 HA CYS 108 10.704 -5.499 -1.923 721 HB2 CYS 108 HB2 CYS 108 12.171 -2.908 -1.494 722 HB3 CYS 108 HB1 CYS 108 10.731 -3.168 -2.466 723 H GLU 109 HN GLU 109 13.373 -6.769 -2.253 724 HA GLU 109 HA GLU 109 14.914 -5.344 -4.125 725 HB2 GLU 109 HB2 GLU 109 15.581 -7.441 -2.906 726 HB3 GLU 109 HB1 GLU 109 14.514 -8.344 -3.964 727 HG2 GLU 109 HG2 GLU 109 16.779 -8.566 -4.728 728 HG3 GLU 109 HG1 GLU 109 15.836 -7.657 -5.904 729 H ASP 110 HN ASP 110 12.846 -8.139 -4.927 730 HA ASP 110 HA ASP 110 12.489 -7.003 -7.588 731 HB2 ASP 110 HB2 ASP 110 13.118 -9.413 -7.295 732 HB3 ASP 110 HB1 ASP 110 11.540 -9.683 -6.560 733 H HIS 111 HN HIS 111 10.854 -7.340 -4.615 734 HA HIS 111 HA HIS 111 8.197 -6.958 -5.737 735 HB2 HIS 111 HB2 HIS 111 8.523 -6.529 -2.843 736 HB3 HIS 111 HB1 HIS 111 7.383 -7.555 -3.702 737 HD2 HIS 111 HD2 HIS 111 10.138 -7.992 -1.279 738 HE1 HIS 111 HE1 HIS 111 10.235 -11.533 -3.617 739 HE2 HIS 111 HE2 HIS 111 10.873 -10.465 -1.418 740 H CYS 112 HN CYS 112 8.502 -4.946 -6.783 741 HA CYS 112 HA CYS 112 8.818 -2.670 -4.933 742 HB2 CYS 112 HB2 CYS 112 10.590 -3.253 -6.830 743 HB3 CYS 112 HB1 CYS 112 9.437 -2.397 -7.845 744 H HIS 113 HN HIS 113 6.339 -3.827 -5.329 745 HA HIS 113 HA HIS 113 4.893 -2.331 -7.339 746 HB2 HIS 113 HB2 HIS 113 4.307 -4.659 -7.017 747 HB3 HIS 113 HB1 HIS 113 4.035 -4.398 -5.306 748 HD2 HIS 113 HD2 HIS 113 1.950 -1.636 -6.258 749 HE1 HIS 113 HE1 HIS 113 -0.471 -4.988 -7.215 750 HE2 HIS 113 HE2 HIS 113 -0.450 -2.589 -6.449 751 H GLY 114 HN GLY 114 4.060 -0.426 -7.008 752 HA2 GLY 114 HA2 GLY 114 3.385 1.508 -5.991 753 HA3 GLY 114 HA1 GLY 114 2.330 0.420 -5.119 754 H VAL 115 HN VAL 115 2.635 0.075 -3.023 755 HA VAL 115 HA VAL 115 3.414 1.827 -1.268 756 HB VAL 115 HB VAL 115 3.968 -0.019 0.369 757 HG11 VAL 115 HG11 VAL 115 1.517 0.591 -1.018 758 HG12 VAL 115 HG12 VAL 115 1.779 0.217 0.685 759 HG13 VAL 115 HG13 VAL 115 1.518 -1.090 -0.472 760 HG21 VAL 115 HG21 VAL 115 4.849 -1.803 -0.772 761 HG22 VAL 115 HG22 VAL 115 3.787 -1.581 -2.163 762 HG23 VAL 115 HG23 VAL 115 3.160 -2.300 -0.679 763 H CYS 116 HN CYS 116 5.881 -0.698 -2.067 764 HA CYS 116 HA CYS 116 7.836 0.765 -0.599 765 HB2 CYS 116 HB2 CYS 116 7.719 -1.809 -1.249 766 HB3 CYS 116 HB1 CYS 116 8.744 -1.258 -2.574 767 H LYS 117 HN LYS 117 6.931 0.727 -3.990 768 HA LYS 117 HA LYS 117 9.284 2.101 -4.833 769 HB2 LYS 117 HB2 LYS 117 7.738 0.617 -6.268 770 HB3 LYS 117 HB1 LYS 117 6.680 2.024 -6.346 771 HG2 LYS 117 HG2 LYS 117 8.502 3.335 -7.281 772 HG3 LYS 117 HG1 LYS 117 9.543 1.919 -7.212 773 HD2 LYS 117 HD2 LYS 117 6.964 1.694 -8.679 774 HD3 LYS 117 HD1 LYS 117 8.268 2.607 -9.436 775 HE2 LYS 117 HE2 LYS 117 8.446 -0.247 -8.461 776 HE3 LYS 117 HE1 LYS 117 8.256 0.254 -10.142 777 HZ1 LYS 117 HZ1 LYS 117 10.437 1.607 -9.585 778 HZ2 LYS 117 HZ2 LYS 117 10.501 -0.021 -10.057 779 HZ3 LYS 117 HZ3 LYS 117 10.627 0.390 -8.419 780 H ASP 118 HN ASP 118 6.532 2.989 -3.122 781 HA ASP 118 HA ASP 118 6.093 5.633 -4.085 782 HB2 ASP 118 HB2 ASP 118 4.464 4.337 -2.699 783 HB3 ASP 118 HB1 ASP 118 5.547 4.499 -1.323 784 H LEU 119 HN LEU 119 8.045 4.216 -1.517 785 HA LEU 119 HA LEU 119 9.209 6.739 -0.725 786 HB2 LEU 119 HB2 LEU 119 8.841 4.592 0.703 787 HB3 LEU 119 HB1 LEU 119 10.300 4.010 -0.067 788 HG LEU 119 HG LEU 119 10.205 6.577 1.519 789 HD11 LEU 119 HD11 LEU 119 10.090 5.364 3.373 790 HD12 LEU 119 HD12 LEU 119 11.606 4.593 2.914 791 HD13 LEU 119 HD13 LEU 119 10.072 3.865 2.440 792 HD21 LEU 119 HD21 LEU 119 12.078 6.160 -0.131 793 HD22 LEU 119 HD22 LEU 119 12.548 4.804 0.894 794 HD23 LEU 119 HD23 LEU 119 12.561 6.444 1.544 795 H HIS 120 HN HIS 120 9.931 3.967 -2.714 796 HA HIS 120 HA HIS 120 11.237 3.691 -4.546 797 HB2 HIS 120 HB2 HIS 120 10.902 6.276 -4.750 798 HB3 HIS 120 HB1 HIS 120 12.572 6.352 -4.203 799 HD2 HIS 120 HD2 HIS 120 10.819 6.406 -7.417 800 HE1 HIS 120 HE1 HIS 120 14.438 4.363 -8.267 801 HE2 HIS 120 HE2 HIS 120 12.526 5.701 -9.228 802 H LEU 121 HN LEU 121 12.188 2.124 -3.070 803 HA LEU 121 HA LEU 121 14.979 2.738 -2.558 804 HB2 LEU 121 HB2 LEU 121 14.779 1.065 -0.673 805 HB3 LEU 121 HB1 LEU 121 14.106 2.651 -0.391 806 HG LEU 121 HG LEU 121 12.341 0.405 -1.319 807 HD11 LEU 121 HD11 LEU 121 12.556 0.919 1.583 808 HD12 LEU 121 HD12 LEU 121 13.850 -0.026 0.848 809 HD13 LEU 121 HD13 LEU 121 12.179 -0.574 0.717 810 HD21 LEU 121 HD21 LEU 121 10.899 2.094 -1.181 811 HD22 LEU 121 HD22 LEU 121 12.036 3.106 -0.291 812 HD23 LEU 121 HD23 LEU 121 11.052 1.924 0.570 813 H CYS 122 HN CYS 122 13.204 1.282 -4.654 814 HA CYS 122 HA CYS 122 15.089 -0.875 -5.061 815 HB2 CYS 122 HB2 CYS 122 13.168 -2.484 -5.595 816 HB3 CYS 122 HB1 CYS 122 13.528 -2.179 -3.908 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -30.471 -0.570 2.745 2 H2 ALA 1 HT2 ALA 1 -29.764 0.557 1.657 3 H3 ALA 1 HT3 ALA 1 -29.399 0.635 3.335 4 HA ALA 1 HA ALA 1 -28.864 -1.838 1.933 5 HB1 ALA 1 HB1 ALA 1 -28.030 -0.138 0.383 6 HB2 ALA 1 HB2 ALA 1 -26.708 -1.020 1.146 7 HB3 ALA 1 HB3 ALA 1 -27.110 0.606 1.695 8 H MET 2 HN MET 2 -28.754 -2.922 3.861 9 HA MET 2 HA MET 2 -26.713 -1.980 5.776 10 HB2 MET 2 HB2 MET 2 -29.365 -3.294 6.334 11 HB3 MET 2 HB1 MET 2 -28.073 -3.225 7.524 12 HG2 MET 2 HG2 MET 2 -28.102 -0.754 7.332 13 HG3 MET 2 HG1 MET 2 -29.497 -0.894 6.263 14 HE1 MET 2 HE1 MET 2 -29.108 -3.301 9.602 15 HE2 MET 2 HE2 MET 2 -29.328 -1.952 10.717 16 HE3 MET 2 HE3 MET 2 -27.989 -1.942 9.568 17 H GLY 3 HN GLY 3 -27.687 -4.449 3.697 18 HA2 GLY 3 HA2 GLY 3 -26.678 -6.702 5.119 19 HA3 GLY 3 HA1 GLY 3 -27.022 -6.637 3.398 20 H LYS 4 HN LYS 4 -24.627 -6.267 5.873 21 HA LYS 4 HA LYS 4 -22.364 -6.184 5.899 22 HB2 LYS 4 HB2 LYS 4 -22.836 -8.283 4.451 23 HB3 LYS 4 HB1 LYS 4 -22.352 -7.285 3.093 24 HG2 LYS 4 HG2 LYS 4 -20.474 -8.582 3.780 25 HG3 LYS 4 HG1 LYS 4 -20.166 -6.897 4.207 26 HD2 LYS 4 HD2 LYS 4 -20.793 -7.365 6.524 27 HD3 LYS 4 HD1 LYS 4 -21.154 -9.038 6.101 28 HE2 LYS 4 HE2 LYS 4 -18.450 -7.717 5.856 29 HE3 LYS 4 HE1 LYS 4 -18.939 -8.808 7.152 30 HZ1 LYS 4 HZ1 LYS 4 -18.808 -10.622 5.801 31 HZ2 LYS 4 HZ2 LYS 4 -17.640 -9.666 5.038 32 HZ3 LYS 4 HZ3 LYS 4 -19.202 -9.765 4.388 33 H CYS 5 HN CYS 5 -22.248 -5.849 2.430 34 HA CYS 5 HA CYS 5 -21.905 -2.959 2.634 35 HB2 CYS 5 HB2 CYS 5 -19.645 -3.994 2.865 36 HB3 CYS 5 HB1 CYS 5 -19.872 -4.756 1.292 37 H SER 6 HN SER 6 -22.476 -1.873 0.769 38 HA SER 6 HA SER 6 -24.252 -3.200 -0.983 39 HB2 SER 6 HB2 SER 6 -22.946 -0.520 -1.473 40 HB3 SER 6 HB1 SER 6 -24.519 -1.078 -2.046 41 HG SER 6 HG SER 6 -24.439 0.369 -0.117 42 H VAL 7 HN VAL 7 -23.722 -4.509 -2.621 43 HA VAL 7 HA VAL 7 -21.182 -3.986 -4.014 44 HB VAL 7 HB VAL 7 -21.125 -6.439 -4.531 45 HG11 VAL 7 HG11 VAL 7 -20.810 -6.972 -1.900 46 HG12 VAL 7 HG12 VAL 7 -20.764 -5.210 -1.880 47 HG13 VAL 7 HG13 VAL 7 -19.621 -6.108 -2.879 48 HG21 VAL 7 HG21 VAL 7 -22.501 -7.982 -3.352 49 HG22 VAL 7 HG22 VAL 7 -23.585 -6.795 -4.078 50 HG23 VAL 7 HG23 VAL 7 -23.201 -6.704 -2.360 51 H LEU 8 HN LEU 8 -24.583 -4.670 -4.382 52 HA LEU 8 HA LEU 8 -24.415 -5.283 -7.154 53 HB2 LEU 8 HB2 LEU 8 -26.918 -4.861 -7.117 54 HB3 LEU 8 HB1 LEU 8 -26.303 -6.171 -6.129 55 HG LEU 8 HG LEU 8 -26.751 -3.487 -4.875 56 HD11 LEU 8 HD11 LEU 8 -28.841 -5.434 -5.760 57 HD12 LEU 8 HD12 LEU 8 -28.852 -3.672 -5.822 58 HD13 LEU 8 HD13 LEU 8 -29.064 -4.501 -4.280 59 HD21 LEU 8 HD21 LEU 8 -27.577 -5.278 -3.088 60 HD22 LEU 8 HD22 LEU 8 -25.881 -4.832 -3.254 61 HD23 LEU 8 HD23 LEU 8 -26.478 -6.311 -4.007 62 H LYS 9 HN LYS 9 -25.476 -2.322 -5.442 63 HA LYS 9 HA LYS 9 -25.678 -0.901 -7.943 64 HB2 LYS 9 HB2 LYS 9 -25.787 0.249 -5.152 65 HB3 LYS 9 HB1 LYS 9 -26.438 0.936 -6.623 66 HG2 LYS 9 HG2 LYS 9 -27.517 -1.696 -5.920 67 HG3 LYS 9 HG1 LYS 9 -27.894 -0.399 -4.785 68 HD2 LYS 9 HD2 LYS 9 -28.686 0.957 -6.740 69 HD3 LYS 9 HD1 LYS 9 -28.499 -0.490 -7.740 70 HE2 LYS 9 HE2 LYS 9 -30.094 -1.686 -6.362 71 HE3 LYS 9 HE1 LYS 9 -30.217 -0.317 -5.261 72 HZ1 LYS 9 HZ1 LYS 9 -30.797 0.528 -7.899 73 HZ2 LYS 9 HZ2 LYS 9 -31.798 0.539 -6.528 74 HZ3 LYS 9 HZ3 LYS 9 -31.741 -0.830 -7.519 75 H LYS 10 HN LYS 10 -23.195 -1.610 -5.755 76 HA LYS 10 HA LYS 10 -21.713 0.834 -6.310 77 HB2 LYS 10 HB2 LYS 10 -21.832 -0.443 -4.052 78 HB3 LYS 10 HB1 LYS 10 -20.637 -1.507 -4.775 79 HG2 LYS 10 HG2 LYS 10 -19.149 0.422 -5.118 80 HG3 LYS 10 HG1 LYS 10 -20.343 1.458 -4.324 81 HD2 LYS 10 HD2 LYS 10 -19.097 -0.968 -3.037 82 HD3 LYS 10 HD1 LYS 10 -18.462 0.668 -2.858 83 HE2 LYS 10 HE2 LYS 10 -21.301 -0.060 -2.161 84 HE3 LYS 10 HE1 LYS 10 -19.976 -0.177 -1.001 85 HZ1 LYS 10 HZ1 LYS 10 -20.579 2.327 -2.459 86 HZ2 LYS 10 HZ2 LYS 10 -19.637 2.127 -1.067 87 HZ3 LYS 10 HZ3 LYS 10 -21.319 1.946 -0.984 88 H VAL 11 HN VAL 11 -22.287 -0.903 -8.511 89 HA VAL 11 HA VAL 11 -21.386 -1.871 -10.331 90 HB VAL 11 HB VAL 11 -18.886 -0.392 -9.566 91 HG11 VAL 11 HG11 VAL 11 -18.665 -1.831 -11.526 92 HG12 VAL 11 HG12 VAL 11 -18.621 -0.131 -11.995 93 HG13 VAL 11 HG13 VAL 11 -20.089 -1.077 -12.242 94 HG21 VAL 11 HG21 VAL 11 -19.753 1.615 -10.314 95 HG22 VAL 11 HG22 VAL 11 -21.118 0.917 -9.446 96 HG23 VAL 11 HG23 VAL 11 -21.056 0.833 -11.208 97 H ALA 12 HN ALA 12 -21.334 -3.527 -8.136 98 HA ALA 12 HA ALA 12 -20.463 -5.445 -7.286 99 HB1 ALA 12 HB1 ALA 12 -19.733 -7.010 -8.827 100 HB2 ALA 12 HB2 ALA 12 -18.929 -5.799 -9.827 101 HB3 ALA 12 HB3 ALA 12 -20.690 -5.897 -9.806 102 H CYS 13 HN CYS 13 -18.935 -3.127 -6.621 103 HA CYS 13 HA CYS 13 -17.000 -2.571 -5.551 104 HB2 CYS 13 HB2 CYS 13 -16.460 -5.537 -5.749 105 HB3 CYS 13 HB1 CYS 13 -15.437 -4.409 -4.867 106 H ALA 14 HN ALA 14 -17.127 -3.037 -8.650 107 HA ALA 14 HA ALA 14 -14.262 -3.196 -9.152 108 HB1 ALA 14 HB1 ALA 14 -16.546 -3.187 -11.115 109 HB2 ALA 14 HB2 ALA 14 -15.744 -4.625 -10.480 110 HB3 ALA 14 HB3 ALA 14 -14.847 -3.492 -11.488 111 H ALA 15 HN ALA 15 -15.965 -0.757 -8.132 112 HA ALA 15 HA ALA 15 -15.205 1.130 -10.248 113 HB1 ALA 15 HB1 ALA 15 -17.477 1.403 -9.628 114 HB2 ALA 15 HB2 ALA 15 -16.597 2.766 -8.933 115 HB3 ALA 15 HB3 ALA 15 -17.080 1.414 -7.909 116 H ALA 16 HN ALA 16 -15.276 1.340 -6.685 117 HA ALA 16 HA ALA 16 -12.978 3.105 -6.765 118 HB1 ALA 16 HB1 ALA 16 -13.367 3.273 -4.305 119 HB2 ALA 16 HB2 ALA 16 -14.739 2.184 -4.509 120 HB3 ALA 16 HB3 ALA 16 -14.737 3.758 -5.304 121 H ILE 17 HN ILE 17 -13.289 -0.187 -6.699 122 HA ILE 17 HA ILE 17 -10.851 -0.479 -5.084 123 HB ILE 17 HB ILE 17 -13.156 -2.352 -5.530 124 HG12 ILE 17 HG12 ILE 17 -11.644 -1.648 -3.012 125 HG13 ILE 17 HG11 ILE 17 -12.985 -0.664 -3.629 126 HG21 ILE 17 HG21 ILE 17 -10.414 -3.106 -4.528 127 HG22 ILE 17 HG22 ILE 17 -11.220 -3.730 -5.969 128 HG23 ILE 17 HG23 ILE 17 -11.857 -4.108 -4.364 129 HD11 ILE 17 HD11 ILE 17 -13.597 -2.311 -1.847 130 HD12 ILE 17 HD12 ILE 17 -13.256 -3.593 -3.010 131 HD13 ILE 17 HD13 ILE 17 -14.537 -2.430 -3.340 132 H ALA 18 HN ALA 18 -12.425 -2.187 -7.819 133 HA ALA 18 HA ALA 18 -10.076 -3.348 -8.784 134 HB1 ALA 18 HB1 ALA 18 -11.506 -3.206 -11.041 135 HB2 ALA 18 HB2 ALA 18 -12.783 -2.895 -9.865 136 HB3 ALA 18 HB3 ALA 18 -11.826 -4.374 -9.759 137 H GLY 19 HN GLY 19 -11.463 -0.181 -9.440 138 HA2 GLY 19 HA2 GLY 19 -9.627 0.372 -11.590 139 HA3 GLY 19 HA1 GLY 19 -10.767 1.501 -10.874 140 H ALA 20 HN ALA 20 -9.876 1.219 -8.169 141 HA ALA 20 HA ALA 20 -7.699 3.046 -8.274 142 HB1 ALA 20 HB1 ALA 20 -9.302 3.439 -6.592 143 HB2 ALA 20 HB2 ALA 20 -7.838 2.917 -5.760 144 HB3 ALA 20 HB3 ALA 20 -9.175 1.789 -5.984 145 H VAL 21 HN VAL 21 -8.015 -0.350 -7.733 146 HA VAL 21 HA VAL 21 -5.541 -0.828 -6.468 147 HB VAL 21 HB VAL 21 -7.649 -2.450 -7.786 148 HG11 VAL 21 HG11 VAL 21 -6.458 -4.263 -8.349 149 HG12 VAL 21 HG12 VAL 21 -5.296 -4.035 -7.041 150 HG13 VAL 21 HG13 VAL 21 -5.141 -3.106 -8.530 151 HG21 VAL 21 HG21 VAL 21 -7.765 -2.072 -5.429 152 HG22 VAL 21 HG22 VAL 21 -6.115 -2.645 -5.201 153 HG23 VAL 21 HG23 VAL 21 -7.382 -3.771 -5.699 154 H ALA 22 HN ALA 22 -6.555 -0.834 -9.868 155 HA ALA 22 HA ALA 22 -4.042 -1.656 -10.908 156 HB1 ALA 22 HB1 ALA 22 -6.426 -1.640 -11.998 157 HB2 ALA 22 HB2 ALA 22 -4.980 -1.445 -12.990 158 HB3 ALA 22 HB3 ALA 22 -5.935 -0.032 -12.538 159 H ALA 23 HN ALA 23 -5.351 1.389 -9.907 160 HA ALA 23 HA ALA 23 -3.599 3.079 -11.361 161 HB1 ALA 23 HB1 ALA 23 -4.304 4.529 -9.140 162 HB2 ALA 23 HB2 ALA 23 -5.639 3.387 -9.302 163 HB3 ALA 23 HB3 ALA 23 -5.213 4.448 -10.647 164 H CYS 24 HN CYS 24 -3.238 1.245 -8.432 165 HA CYS 24 HA CYS 24 -0.909 2.782 -7.610 166 HB2 CYS 24 HB2 CYS 24 -2.584 1.818 -5.966 167 HB3 CYS 24 HB1 CYS 24 -1.919 0.234 -6.347 168 H GLY 25 HN GLY 25 -1.662 -0.265 -9.192 169 HA2 GLY 25 HA2 GLY 25 0.212 -0.859 -10.780 170 HA3 GLY 25 HA1 GLY 25 1.244 -0.781 -9.364 171 H GLY 26 HN GLY 26 -1.877 -2.133 -8.834 172 HA2 GLY 26 HA2 GLY 26 -2.398 -4.500 -9.285 173 HA3 GLY 26 HA1 GLY 26 -0.693 -4.837 -9.016 174 H ILE 27 HN ILE 27 -3.692 -4.919 -7.697 175 HA ILE 27 HA ILE 27 -4.518 -4.625 -5.510 176 HB ILE 27 HB ILE 27 -4.591 -6.942 -6.015 177 HG12 ILE 27 HG12 ILE 27 -3.639 -6.279 -3.243 178 HG13 ILE 27 HG11 ILE 27 -5.288 -6.530 -3.802 179 HG21 ILE 27 HG21 ILE 27 -1.926 -7.477 -4.794 180 HG22 ILE 27 HG22 ILE 27 -2.044 -7.029 -6.497 181 HG23 ILE 27 HG23 ILE 27 -2.874 -8.467 -5.903 182 HD11 ILE 27 HD11 ILE 27 -3.154 -8.569 -3.329 183 HD12 ILE 27 HD12 ILE 27 -4.623 -8.926 -4.240 184 HD13 ILE 27 HD13 ILE 27 -4.732 -8.424 -2.549 185 H ASP 28 HN ASP 28 -3.906 -2.946 -4.456 186 HA ASP 28 HA ASP 28 -1.775 -3.394 -2.504 187 HB2 ASP 28 HB2 ASP 28 -1.222 -1.686 -4.382 188 HB3 ASP 28 HB1 ASP 28 -2.379 -0.642 -3.560 189 H LEU 29 HN LEU 29 -2.272 -2.695 -0.486 190 HA LEU 29 HA LEU 29 -5.081 -1.982 -0.095 191 HB2 LEU 29 HB2 LEU 29 -4.460 -4.128 0.885 192 HB3 LEU 29 HB1 LEU 29 -3.207 -3.350 1.834 193 HG LEU 29 HG LEU 29 -4.862 -2.129 3.119 194 HD11 LEU 29 HD11 LEU 29 -6.709 -3.221 1.054 195 HD12 LEU 29 HD12 LEU 29 -6.653 -1.617 1.794 196 HD13 LEU 29 HD13 LEU 29 -7.314 -2.982 2.698 197 HD21 LEU 29 HD21 LEU 29 -6.270 -4.413 3.691 198 HD22 LEU 29 HD22 LEU 29 -4.705 -3.975 4.373 199 HD23 LEU 29 HD23 LEU 29 -4.788 -5.039 2.968 200 HA PRO 30 HA PRO 30 -2.801 0.903 3.066 201 HB2 PRO 30 HB2 PRO 30 -0.009 0.849 2.110 202 HB3 PRO 30 HB1 PRO 30 -0.633 0.804 3.761 203 HG2 PRO 30 HG2 PRO 30 0.429 -1.364 2.614 204 HG3 PRO 30 HG1 PRO 30 -0.951 -1.482 3.724 205 HD2 PRO 30 HD2 PRO 30 -0.896 -1.613 0.732 206 HD3 PRO 30 HD1 PRO 30 -1.850 -2.573 1.886 207 H CYS 31 HN CYS 31 -1.707 0.602 -0.245 208 HA CYS 31 HA CYS 31 -1.394 3.428 -0.480 209 HB2 CYS 31 HB2 CYS 31 0.162 2.468 -1.843 210 HB3 CYS 31 HB1 CYS 31 -0.862 1.089 -2.215 211 H VAL 32 HN VAL 32 -3.720 1.010 -1.581 212 HA VAL 32 HA VAL 32 -5.305 2.982 -2.950 213 HB VAL 32 HB VAL 32 -5.846 0.062 -2.376 214 HG11 VAL 32 HG11 VAL 32 -7.854 1.313 -2.936 215 HG12 VAL 32 HG12 VAL 32 -7.410 0.195 -4.230 216 HG13 VAL 32 HG13 VAL 32 -7.071 1.916 -4.390 217 HG21 VAL 32 HG21 VAL 32 -4.357 -0.443 -3.928 218 HG22 VAL 32 HG22 VAL 32 -3.935 1.262 -4.087 219 HG23 VAL 32 HG23 VAL 32 -5.203 0.567 -5.101 220 H LEU 33 HN LEU 33 -4.915 2.083 0.223 221 HA LEU 33 HA LEU 33 -7.444 1.870 1.336 222 HB2 LEU 33 HB2 LEU 33 -5.140 1.631 2.422 223 HB3 LEU 33 HB1 LEU 33 -5.164 3.370 2.620 224 HG LEU 33 HG LEU 33 -5.830 1.952 4.630 225 HD11 LEU 33 HD11 LEU 33 -8.003 3.497 4.901 226 HD12 LEU 33 HD12 LEU 33 -7.212 4.323 3.558 227 HD13 LEU 33 HD13 LEU 33 -6.353 4.093 5.081 228 HD21 LEU 33 HD21 LEU 33 -7.841 1.119 2.712 229 HD22 LEU 33 HD22 LEU 33 -8.544 1.701 4.220 230 HD23 LEU 33 HD23 LEU 33 -7.366 0.389 4.246 231 H ALA 34 HN ALA 34 -5.574 4.810 0.640 232 HA ALA 34 HA ALA 34 -7.370 6.664 1.732 233 HB1 ALA 34 HB1 ALA 34 -6.254 8.208 -0.061 234 HB2 ALA 34 HB2 ALA 34 -5.187 6.822 -0.296 235 HB3 ALA 34 HB3 ALA 34 -5.311 7.585 1.290 236 H ALA 35 HN ALA 35 -7.260 5.157 -1.457 237 HA ALA 35 HA ALA 35 -9.473 6.781 -2.408 238 HB1 ALA 35 HB1 ALA 35 -8.867 4.620 -4.174 239 HB2 ALA 35 HB2 ALA 35 -7.365 5.375 -3.636 240 HB3 ALA 35 HB3 ALA 35 -8.619 6.348 -4.406 241 H LEU 36 HN LEU 36 -9.306 4.256 -0.396 242 HA LEU 36 HA LEU 36 -11.605 2.813 -1.489 243 HB2 LEU 36 HB2 LEU 36 -9.699 1.499 -0.660 244 HB3 LEU 36 HB1 LEU 36 -9.881 2.228 0.924 245 HG LEU 36 HG LEU 36 -12.095 1.161 1.150 246 HD11 LEU 36 HD11 LEU 36 -11.630 0.602 -1.660 247 HD12 LEU 36 HD12 LEU 36 -13.131 0.552 -0.729 248 HD13 LEU 36 HD13 LEU 36 -12.059 -0.846 -0.751 249 HD21 LEU 36 HD21 LEU 36 -11.108 -0.632 2.046 250 HD22 LEU 36 HD22 LEU 36 -9.599 0.000 1.382 251 HD23 LEU 36 HD23 LEU 36 -10.532 -1.194 0.479 252 H LYS 37 HN LYS 37 -10.634 4.908 1.129 253 HA LYS 37 HA LYS 37 -13.058 4.588 2.626 254 HB2 LYS 37 HB2 LYS 37 -10.888 5.263 3.659 255 HB3 LYS 37 HB1 LYS 37 -10.986 6.792 2.796 256 HG2 LYS 37 HG2 LYS 37 -12.946 7.428 4.033 257 HG3 LYS 37 HG1 LYS 37 -13.020 5.846 4.807 258 HD2 LYS 37 HD2 LYS 37 -10.870 6.281 5.907 259 HD3 LYS 37 HD1 LYS 37 -10.788 7.860 5.118 260 HE2 LYS 37 HE2 LYS 37 -12.739 8.613 6.299 261 HE3 LYS 37 HE1 LYS 37 -13.007 7.002 6.969 262 HZ1 LYS 37 HZ1 LYS 37 -11.567 7.382 8.603 263 HZ2 LYS 37 HZ2 LYS 37 -11.630 9.023 8.171 264 HZ3 LYS 37 HZ3 LYS 37 -10.391 8.030 7.564 265 H ALA 38 HN ALA 38 -11.979 6.572 0.013 266 HA ALA 38 HA ALA 38 -14.400 8.234 0.194 267 HB1 ALA 38 HB1 ALA 38 -13.256 9.759 -1.372 268 HB2 ALA 38 HB2 ALA 38 -11.850 8.694 -1.355 269 HB3 ALA 38 HB3 ALA 38 -12.343 9.525 0.119 270 H ALA 39 HN ALA 39 -14.976 8.996 -2.215 271 HA ALA 39 HA ALA 39 -16.039 8.443 -4.140 272 HB1 ALA 39 HB1 ALA 39 -14.436 6.171 -4.930 273 HB2 ALA 39 HB2 ALA 39 -13.436 7.505 -4.365 274 HB3 ALA 39 HB3 ALA 39 -14.590 7.763 -5.678 275 H GLU 40 HN GLU 40 -16.932 7.146 -1.713 276 HA GLU 40 HA GLU 40 -18.345 5.521 -0.980 277 HB2 GLU 40 HB2 GLU 40 -19.588 6.572 -2.953 278 HB3 GLU 40 HB1 GLU 40 -19.104 5.159 -3.879 279 HG2 GLU 40 HG2 GLU 40 -21.320 4.804 -3.105 280 HG3 GLU 40 HG1 GLU 40 -20.251 3.745 -2.188 281 H GLY 41 HN GLY 41 -16.222 4.355 -0.634 282 HA2 GLY 41 HA2 GLY 41 -15.600 2.182 -2.407 283 HA3 GLY 41 HA1 GLY 41 -14.844 2.514 -0.858 284 H CYS 42 HN CYS 42 -14.938 0.138 -0.748 285 HA CYS 42 HA CYS 42 -17.167 -0.703 0.863 286 HB2 CYS 42 HB2 CYS 42 -18.009 -1.087 -1.444 287 HB3 CYS 42 HB1 CYS 42 -16.631 -2.134 -1.750 288 H ALA 43 HN ALA 43 -15.550 -0.952 2.397 289 HA ALA 43 HA ALA 43 -13.174 -2.413 1.974 290 HB1 ALA 43 HB1 ALA 43 -12.686 -1.369 3.847 291 HB2 ALA 43 HB2 ALA 43 -13.767 -2.461 4.714 292 HB3 ALA 43 HB3 ALA 43 -14.379 -0.932 4.083 293 H SER 44 HN SER 44 -16.295 -3.411 3.409 294 HA SER 44 HA SER 44 -15.295 -6.008 4.108 295 HB2 SER 44 HB2 SER 44 -17.871 -6.445 4.349 296 HB3 SER 44 HB1 SER 44 -17.026 -5.407 5.498 297 HG SER 44 HG SER 44 -17.814 -3.604 4.430 298 H CYS 45 HN CYS 45 -15.026 -5.234 1.334 299 HA CYS 45 HA CYS 45 -16.153 -7.633 0.087 300 HB2 CYS 45 HB2 CYS 45 -17.657 -5.882 -0.631 301 HB3 CYS 45 HB1 CYS 45 -16.314 -4.807 -0.994 302 H PHE 46 HN PHE 46 -13.745 -5.341 0.629 303 HA PHE 46 HA PHE 46 -11.937 -6.453 -1.395 304 HB2 PHE 46 HB2 PHE 46 -12.430 -4.038 -1.507 305 HB3 PHE 46 HB1 PHE 46 -11.859 -3.850 0.139 306 HD1 PHE 46 HD2 PHE 46 -9.581 -6.107 -1.083 307 HD2 PHE 46 HD1 PHE 46 -10.819 -2.073 -1.622 308 HE1 PHE 46 HE2 PHE 46 -7.345 -5.531 -1.916 309 HE2 PHE 46 HE1 PHE 46 -8.615 -1.494 -2.465 310 HZ PHE 46 HZ PHE 46 -6.851 -3.229 -2.598 311 H CYS 47 HN CYS 47 -11.713 -4.975 1.852 312 HA CYS 47 HA CYS 47 -9.342 -6.475 2.491 313 HB2 CYS 47 HB2 CYS 47 -11.041 -4.868 4.391 314 HB3 CYS 47 HB1 CYS 47 -9.341 -5.288 4.558 315 H GLU 48 HN GLU 48 -11.900 -7.904 1.992 316 HA GLU 48 HA GLU 48 -13.114 -8.911 4.249 317 HB2 GLU 48 HB2 GLU 48 -13.736 -9.301 1.838 318 HB3 GLU 48 HB1 GLU 48 -12.413 -10.441 1.727 319 HG2 GLU 48 HG2 GLU 48 -14.375 -11.705 2.014 320 HG3 GLU 48 HG1 GLU 48 -13.488 -11.772 3.533 321 H ASP 49 HN ASP 49 -10.500 -10.515 2.419 322 HA ASP 49 HA ASP 49 -9.830 -12.080 4.796 323 HB2 ASP 49 HB2 ASP 49 -10.031 -13.183 2.543 324 HB3 ASP 49 HB1 ASP 49 -8.619 -12.261 2.027 325 H HIS 50 HN HIS 50 -8.652 -9.542 2.752 326 HA HIS 50 HA HIS 50 -6.008 -9.415 3.923 327 HB2 HIS 50 HB2 HIS 50 -7.312 -7.163 2.403 328 HB3 HIS 50 HB1 HIS 50 -5.612 -7.606 2.462 329 HD2 HIS 50 HD2 HIS 50 -8.498 -7.890 0.089 330 HE1 HIS 50 HE1 HIS 50 -5.866 -11.063 -0.952 331 HE2 HIS 50 HE2 HIS 50 -7.770 -9.596 -1.730 332 H CYS 51 HN CYS 51 -6.878 -9.339 6.181 333 HA CYS 51 HA CYS 51 -7.659 -6.581 6.857 334 HB2 CYS 51 HB2 CYS 51 -9.447 -8.469 6.973 335 HB3 CYS 51 HB1 CYS 51 -8.609 -8.940 8.448 336 H HIS 52 HN HIS 52 -5.009 -7.047 6.961 337 HA HIS 52 HA HIS 52 -4.541 -7.350 9.828 338 HB2 HIS 52 HB2 HIS 52 -2.247 -8.180 9.323 339 HB3 HIS 52 HB1 HIS 52 -3.530 -9.271 8.833 340 HD2 HIS 52 HD2 HIS 52 -0.310 -8.217 7.495 341 HE1 HIS 52 HE1 HIS 52 -2.691 -8.849 4.043 342 HE2 HIS 52 HE2 HIS 52 -0.354 -8.894 4.997 343 H GLY 53 HN GLY 53 -4.876 -5.138 10.074 344 HA2 GLY 53 HA2 GLY 53 -3.954 -3.067 10.545 345 HA3 GLY 53 HA1 GLY 53 -2.478 -3.576 9.739 346 H VAL 54 HN VAL 54 -3.188 -1.072 9.323 347 HA VAL 54 HA VAL 54 -3.524 0.500 7.741 348 HB VAL 54 HB VAL 54 -3.555 -1.800 5.780 349 HG11 VAL 54 HG11 VAL 54 -2.694 0.000 4.217 350 HG12 VAL 54 HG12 VAL 54 -3.208 1.171 5.433 351 HG13 VAL 54 HG13 VAL 54 -4.398 0.115 4.666 352 HG21 VAL 54 HG21 VAL 54 -1.496 -0.947 7.455 353 HG22 VAL 54 HG22 VAL 54 -1.134 -0.242 5.877 354 HG23 VAL 54 HG23 VAL 54 -1.356 -1.984 6.036 355 H CYS 55 HN CYS 55 -5.495 -2.111 6.290 356 HA CYS 55 HA CYS 55 -7.626 -0.280 5.794 357 HB2 CYS 55 HB2 CYS 55 -7.184 -2.285 4.380 358 HB3 CYS 55 HB1 CYS 55 -7.736 -3.299 5.709 359 H LYS 56 HN LYS 56 -7.109 -2.887 8.163 360 HA LYS 56 HA LYS 56 -9.624 -2.160 9.425 361 HB2 LYS 56 HB2 LYS 56 -9.450 -4.049 10.795 362 HB3 LYS 56 HB1 LYS 56 -8.856 -4.572 9.226 363 HG2 LYS 56 HG2 LYS 56 -6.616 -4.577 9.969 364 HG3 LYS 56 HG1 LYS 56 -7.028 -3.687 11.438 365 HD2 LYS 56 HD2 LYS 56 -7.853 -6.511 10.744 366 HD3 LYS 56 HD1 LYS 56 -6.664 -6.027 11.954 367 HE2 LYS 56 HE2 LYS 56 -8.350 -6.126 13.419 368 HE3 LYS 56 HE1 LYS 56 -8.880 -4.598 12.714 369 HZ1 LYS 56 HZ1 LYS 56 -10.023 -7.261 12.456 370 HZ2 LYS 56 HZ2 LYS 56 -10.005 -6.343 11.029 371 HZ3 LYS 56 HZ3 LYS 56 -10.780 -5.746 12.408 372 H ASP 57 HN ASP 57 -6.992 -0.553 9.332 373 HA ASP 57 HA ASP 57 -6.216 -0.189 12.066 374 HB2 ASP 57 HB2 ASP 57 -4.830 0.469 10.043 375 HB3 ASP 57 HB1 ASP 57 -5.968 1.777 9.762 376 H LEU 58 HN LEU 58 -8.531 1.088 9.836 377 HA LEU 58 HA LEU 58 -9.677 2.954 11.785 378 HB2 LEU 58 HB2 LEU 58 -10.692 2.435 8.997 379 HB3 LEU 58 HB1 LEU 58 -10.870 3.882 9.972 380 HG LEU 58 HG LEU 58 -8.097 3.151 9.247 381 HD11 LEU 58 HD11 LEU 58 -9.309 2.670 7.165 382 HD12 LEU 58 HD12 LEU 58 -8.274 4.092 7.023 383 HD13 LEU 58 HD13 LEU 58 -10.015 4.286 7.221 384 HD21 LEU 58 HD21 LEU 58 -8.075 5.149 10.290 385 HD22 LEU 58 HD22 LEU 58 -9.724 5.547 9.806 386 HD23 LEU 58 HD23 LEU 58 -8.398 5.737 8.657 387 H HIS 59 HN HIS 59 -9.793 -0.194 10.934 388 HA HIS 59 HA HIS 59 -11.108 -1.962 11.332 389 HB2 HIS 59 HB2 HIS 59 -12.549 0.030 13.061 390 HB3 HIS 59 HB1 HIS 59 -13.096 -1.639 12.901 391 HD2 HIS 59 HD2 HIS 59 -10.991 0.256 15.253 392 HE1 HIS 59 HE1 HIS 59 -9.204 -3.592 15.135 393 HE2 HIS 59 HE2 HIS 59 -9.493 -1.469 16.466 394 H LEU 60 HN LEU 60 -11.469 -1.814 9.067 395 HA LEU 60 HA LEU 60 -14.162 -0.982 8.326 396 HB2 LEU 60 HB2 LEU 60 -11.766 -1.558 6.589 397 HB3 LEU 60 HB1 LEU 60 -13.337 -1.043 6.007 398 HG LEU 60 HG LEU 60 -11.498 0.584 7.770 399 HD11 LEU 60 HD11 LEU 60 -11.231 0.133 5.098 400 HD12 LEU 60 HD12 LEU 60 -10.687 1.584 5.941 401 HD13 LEU 60 HD13 LEU 60 -12.246 1.576 5.119 402 HD21 LEU 60 HD21 LEU 60 -13.976 0.919 8.095 403 HD22 LEU 60 HD22 LEU 60 -14.032 1.468 6.416 404 HD23 LEU 60 HD23 LEU 60 -13.066 2.346 7.597 405 H CYS 61 HN CYS 61 -12.000 -3.734 8.439 406 HA CYS 61 HA CYS 61 -14.170 -5.418 7.379 407 HB2 CYS 61 HB2 CYS 61 -12.236 -7.144 7.133 408 HB3 CYS 61 HB1 CYS 61 -12.388 -5.865 5.937 409 H1 ALA 62 HT1 ALA 62 27.024 2.012 6.416 410 H2 ALA 62 HT2 ALA 62 28.079 2.178 5.070 411 H3 ALA 62 HT3 ALA 62 26.750 1.093 4.994 412 HA ALA 62 HA ALA 62 25.223 2.886 5.147 413 HB1 ALA 62 HB1 ALA 62 25.903 5.166 5.201 414 HB2 ALA 62 HB2 ALA 62 27.601 4.735 4.985 415 HB3 ALA 62 HB3 ALA 62 26.774 4.338 6.493 416 H MET 63 HN MET 63 26.577 5.095 3.346 417 HA MET 63 HA MET 63 26.900 5.556 1.164 418 HB2 MET 63 HB2 MET 63 27.393 2.597 0.969 419 HB3 MET 63 HB1 MET 63 27.385 3.635 -0.449 420 HG2 MET 63 HG2 MET 63 29.133 5.033 0.740 421 HG3 MET 63 HG1 MET 63 29.262 3.699 1.888 422 HE1 MET 63 HE1 MET 63 28.944 2.951 -2.308 423 HE2 MET 63 HE2 MET 63 30.384 3.959 -2.458 424 HE3 MET 63 HE3 MET 63 28.939 4.600 -1.678 425 H GLY 64 HN GLY 64 25.217 2.422 0.743 426 HA2 GLY 64 HA2 GLY 64 22.787 3.869 0.045 427 HA3 GLY 64 HA1 GLY 64 23.573 3.018 -1.274 428 H LYS 65 HN LYS 65 21.103 2.345 -0.829 429 HA LYS 65 HA LYS 65 19.632 0.701 -0.356 430 HB2 LYS 65 HB2 LYS 65 22.162 -0.933 -0.494 431 HB3 LYS 65 HB1 LYS 65 20.563 -1.649 -0.349 432 HG2 LYS 65 HG2 LYS 65 19.996 -0.277 -2.453 433 HG3 LYS 65 HG1 LYS 65 21.743 -0.119 -2.627 434 HD2 LYS 65 HD2 LYS 65 21.108 -1.981 -3.937 435 HD3 LYS 65 HD1 LYS 65 21.877 -2.631 -2.487 436 HE2 LYS 65 HE2 LYS 65 19.717 -3.160 -1.533 437 HE3 LYS 65 HE1 LYS 65 18.892 -2.360 -2.869 438 HZ1 LYS 65 HZ1 LYS 65 18.900 -4.763 -3.170 439 HZ2 LYS 65 HZ2 LYS 65 20.596 -4.792 -3.095 440 HZ3 LYS 65 HZ3 LYS 65 19.819 -4.013 -4.384 441 H CYS 66 HN CYS 66 21.770 -1.352 1.342 442 HA CYS 66 HA CYS 66 21.204 -0.301 3.957 443 HB2 CYS 66 HB2 CYS 66 19.045 -1.296 3.462 444 HB3 CYS 66 HB1 CYS 66 19.807 -2.807 2.981 445 H SER 67 HN SER 67 22.706 -0.962 5.393 446 HA SER 67 HA SER 67 24.761 -2.820 4.522 447 HB2 SER 67 HB2 SER 67 24.467 -1.339 7.158 448 HB3 SER 67 HB1 SER 67 25.916 -2.171 6.587 449 HG SER 67 HG SER 67 24.691 -0.069 5.123 450 H VAL 68 HN VAL 68 23.578 -4.707 4.389 451 HA VAL 68 HA VAL 68 21.912 -5.747 6.355 452 HB VAL 68 HB VAL 68 22.108 -7.918 5.164 453 HG11 VAL 68 HG11 VAL 68 21.703 -5.434 3.470 454 HG12 VAL 68 HG12 VAL 68 20.490 -6.266 4.443 455 HG13 VAL 68 HG13 VAL 68 21.176 -7.061 3.028 456 HG21 VAL 68 HG21 VAL 68 24.599 -6.928 4.353 457 HG22 VAL 68 HG22 VAL 68 23.607 -6.870 2.898 458 HG23 VAL 68 HG23 VAL 68 23.805 -8.392 3.764 459 H LEU 69 HN LEU 69 25.408 -6.327 5.927 460 HA LEU 69 HA LEU 69 25.568 -8.521 7.646 461 HB2 LEU 69 HB2 LEU 69 27.954 -8.059 7.850 462 HB3 LEU 69 HB1 LEU 69 27.404 -7.957 6.192 463 HG LEU 69 HG LEU 69 27.379 -5.357 7.496 464 HD11 LEU 69 HD11 LEU 69 29.616 -5.065 8.001 465 HD12 LEU 69 HD12 LEU 69 30.113 -6.489 7.091 466 HD13 LEU 69 HD13 LEU 69 29.295 -6.679 8.642 467 HD21 LEU 69 HD21 LEU 69 28.305 -4.650 5.463 468 HD22 LEU 69 HD22 LEU 69 27.301 -6.024 5.004 469 HD23 LEU 69 HD23 LEU 69 29.046 -6.222 5.148 470 H LYS 70 HN LYS 70 25.857 -5.079 8.461 471 HA LYS 70 HA LYS 70 26.162 -5.784 11.250 472 HB2 LYS 70 HB2 LYS 70 26.176 -3.133 9.803 473 HB3 LYS 70 HB1 LYS 70 26.335 -3.299 11.541 474 HG2 LYS 70 HG2 LYS 70 28.371 -4.615 11.233 475 HG3 LYS 70 HG1 LYS 70 28.213 -4.429 9.484 476 HD2 LYS 70 HD2 LYS 70 28.383 -1.997 9.737 477 HD3 LYS 70 HD1 LYS 70 28.564 -2.194 11.485 478 HE2 LYS 70 HE2 LYS 70 30.421 -3.268 9.363 479 HE3 LYS 70 HE1 LYS 70 30.728 -1.875 10.401 480 HZ1 LYS 70 HZ1 LYS 70 30.896 -4.716 11.010 481 HZ2 LYS 70 HZ2 LYS 70 30.219 -3.746 12.225 482 HZ3 LYS 70 HZ3 LYS 70 31.775 -3.409 11.643 483 H LYS 71 HN LYS 71 23.580 -5.928 9.459 484 HA LYS 71 HA LYS 71 21.887 -4.635 11.489 485 HB2 LYS 71 HB2 LYS 71 21.940 -3.734 8.998 486 HB3 LYS 71 HB1 LYS 71 20.824 -5.070 8.740 487 HG2 LYS 71 HG2 LYS 71 19.331 -4.191 10.444 488 HG3 LYS 71 HG1 LYS 71 20.460 -2.875 10.771 489 HD2 LYS 71 HD2 LYS 71 19.145 -3.376 8.105 490 HD3 LYS 71 HD1 LYS 71 18.557 -2.230 9.311 491 HE2 LYS 71 HE2 LYS 71 21.332 -2.123 8.147 492 HE3 LYS 71 HE1 LYS 71 19.963 -1.247 7.464 493 HZ1 LYS 71 HZ1 LYS 71 19.833 0.143 9.276 494 HZ2 LYS 71 HZ2 LYS 71 21.512 -0.071 9.142 495 HZ3 LYS 71 HZ3 LYS 71 20.634 -0.924 10.313 496 H VAL 72 HN VAL 72 22.861 -7.235 11.697 497 HA VAL 72 HA VAL 72 22.292 -9.365 12.147 498 HB VAL 72 HB VAL 72 19.471 -8.339 12.328 499 HG11 VAL 72 HG11 VAL 72 19.429 -9.991 14.267 500 HG12 VAL 72 HG12 VAL 72 20.946 -10.620 13.622 501 HG13 VAL 72 HG13 VAL 72 19.479 -10.683 12.645 502 HG21 VAL 72 HG21 VAL 72 20.890 -8.342 14.830 503 HG22 VAL 72 HG22 VAL 72 19.991 -7.038 14.054 504 HG23 VAL 72 HG23 VAL 72 21.690 -7.301 13.653 505 H ALA 73 HN ALA 73 22.374 -8.628 9.367 506 HA ALA 73 HA ALA 73 21.867 -9.392 7.285 507 HB1 ALA 73 HB1 ALA 73 22.333 -11.567 7.119 508 HB2 ALA 73 HB2 ALA 73 20.970 -12.033 8.137 509 HB3 ALA 73 HB3 ALA 73 22.487 -11.520 8.875 510 H CYS 74 HN CYS 74 19.669 -8.078 8.566 511 HA CYS 74 HA CYS 74 17.489 -7.562 8.119 512 HB2 CYS 74 HB2 CYS 74 17.573 -9.716 6.009 513 HB3 CYS 74 HB1 CYS 74 16.453 -8.363 6.105 514 H ALA 75 HN ALA 75 18.218 -9.888 9.925 515 HA ALA 75 HA ALA 75 15.894 -11.593 9.662 516 HB1 ALA 75 HB1 ALA 75 18.441 -11.713 11.118 517 HB2 ALA 75 HB2 ALA 75 17.517 -12.992 10.325 518 HB3 ALA 75 HB3 ALA 75 17.059 -12.443 11.935 519 H ALA 76 HN ALA 76 17.015 -8.991 11.722 520 HA ALA 76 HA ALA 76 15.150 -9.428 13.814 521 HB1 ALA 76 HB1 ALA 76 16.366 -6.758 13.235 522 HB2 ALA 76 HB2 ALA 76 17.340 -8.094 13.854 523 HB3 ALA 76 HB3 ALA 76 15.970 -7.490 14.787 524 H ALA 77 HN ALA 77 15.223 -6.495 11.799 525 HA ALA 77 HA ALA 77 12.453 -6.015 12.298 526 HB1 ALA 77 HB1 ALA 77 14.600 -4.445 11.647 527 HB2 ALA 77 HB2 ALA 77 12.918 -3.922 11.726 528 HB3 ALA 77 HB3 ALA 77 13.616 -4.406 10.181 529 H ILE 78 HN ILE 78 12.963 -8.463 10.706 530 HA ILE 78 HA ILE 78 11.055 -7.830 8.598 531 HB ILE 78 HB ILE 78 13.775 -8.992 8.087 532 HG12 ILE 78 HG12 ILE 78 12.036 -7.065 6.503 533 HG13 ILE 78 HG11 ILE 78 13.296 -6.585 7.651 534 HG21 ILE 78 HG21 ILE 78 12.469 -10.721 7.175 535 HG22 ILE 78 HG22 ILE 78 12.874 -9.673 5.815 536 HG23 ILE 78 HG23 ILE 78 11.269 -9.592 6.544 537 HD11 ILE 78 HD11 ILE 78 14.068 -8.427 5.463 538 HD12 ILE 78 HD12 ILE 78 14.982 -7.124 6.230 539 HD13 ILE 78 HD13 ILE 78 13.732 -6.748 5.047 540 H ALA 79 HN ALA 79 12.964 -10.585 9.911 541 HA ALA 79 HA ALA 79 10.874 -12.457 9.432 542 HB1 ALA 79 HB1 ALA 79 13.470 -12.782 9.929 543 HB2 ALA 79 HB2 ALA 79 12.278 -14.047 10.240 544 HB3 ALA 79 HB3 ALA 79 12.850 -13.028 11.561 545 H GLY 80 HN GLY 80 11.805 -10.461 12.164 546 HA2 GLY 80 HA2 GLY 80 9.961 -11.676 14.005 547 HA3 GLY 80 HA1 GLY 80 10.834 -10.165 14.241 548 H ALA 81 HN ALA 81 9.804 -9.222 11.579 549 HA ALA 81 HA ALA 81 7.517 -7.872 12.573 550 HB1 ALA 81 HB1 ALA 81 8.428 -7.941 9.705 551 HB2 ALA 81 HB2 ALA 81 9.174 -6.921 10.935 552 HB3 ALA 81 HB3 ALA 81 7.475 -6.695 10.508 553 H VAL 82 HN VAL 82 8.051 -10.705 10.650 554 HA VAL 82 HA VAL 82 5.454 -10.935 9.543 555 HB VAL 82 HB VAL 82 7.544 -13.078 10.020 556 HG11 VAL 82 HG11 VAL 82 5.938 -13.517 7.724 557 HG12 VAL 82 HG12 VAL 82 4.873 -13.213 9.099 558 HG13 VAL 82 HG13 VAL 82 6.074 -14.502 9.179 559 HG21 VAL 82 HG21 VAL 82 7.121 -11.103 7.804 560 HG22 VAL 82 HG22 VAL 82 7.907 -12.650 7.501 561 HG23 VAL 82 HG23 VAL 82 8.610 -11.517 8.657 562 H ALA 83 HN ALA 83 6.929 -11.780 12.585 563 HA ALA 83 HA ALA 83 4.948 -13.636 13.424 564 HB1 ALA 83 HB1 ALA 83 5.988 -13.623 15.515 565 HB2 ALA 83 HB2 ALA 83 6.579 -11.970 15.313 566 HB3 ALA 83 HB3 ALA 83 7.302 -13.291 14.393 567 H ALA 84 HN ALA 84 5.316 -10.179 13.530 568 HA ALA 84 HA ALA 84 2.996 -9.776 15.205 569 HB1 ALA 84 HB1 ALA 84 5.200 -8.123 14.174 570 HB2 ALA 84 HB2 ALA 84 4.366 -8.061 15.729 571 HB3 ALA 84 HB3 ALA 84 3.645 -7.300 14.311 572 H CYS 85 HN CYS 85 3.383 -10.629 12.116 573 HA CYS 85 HA CYS 85 0.803 -9.594 11.298 574 HB2 CYS 85 HB2 CYS 85 3.355 -9.117 9.763 575 HB3 CYS 85 HB1 CYS 85 1.776 -9.082 9.000 576 H GLY 86 HN GLY 86 0.803 -11.956 11.994 577 HA2 GLY 86 HA2 GLY 86 1.810 -14.177 11.025 578 HA3 GLY 86 HA1 GLY 86 0.068 -14.019 11.142 579 H GLY 87 HN GLY 87 -0.516 -12.353 9.038 580 HA2 GLY 87 HA2 GLY 87 0.162 -14.069 6.750 581 HA3 GLY 87 HA1 GLY 87 -1.188 -12.936 6.821 582 H ILE 88 HN ILE 88 2.280 -13.249 6.441 583 HA ILE 88 HA ILE 88 2.873 -10.532 6.252 584 HB ILE 88 HB ILE 88 4.588 -12.216 6.595 585 HG12 ILE 88 HG12 ILE 88 4.934 -9.905 5.364 586 HG13 ILE 88 HG11 ILE 88 6.269 -11.030 5.577 587 HG21 ILE 88 HG21 ILE 88 4.931 -12.977 3.811 588 HG22 ILE 88 HG22 ILE 88 3.441 -13.591 4.535 589 HG23 ILE 88 HG23 ILE 88 5.002 -13.949 5.277 590 HD11 ILE 88 HD11 ILE 88 5.996 -11.796 3.291 591 HD12 ILE 88 HD12 ILE 88 6.219 -10.047 3.349 592 HD13 ILE 88 HD13 ILE 88 4.609 -10.724 3.088 593 H ASP 89 HN ASP 89 2.873 -9.069 4.709 594 HA ASP 89 HA ASP 89 2.374 -9.780 1.940 595 HB2 ASP 89 HB2 ASP 89 0.115 -9.444 2.993 596 HB3 ASP 89 HB1 ASP 89 0.591 -7.792 3.369 597 H LEU 90 HN LEU 90 2.138 -6.815 3.896 598 HA LEU 90 HA LEU 90 4.625 -5.735 3.516 599 HB2 LEU 90 HB2 LEU 90 4.180 -5.883 1.103 600 HB3 LEU 90 HB1 LEU 90 2.750 -4.895 1.299 601 HG LEU 90 HG LEU 90 4.085 -2.957 1.837 602 HD11 LEU 90 HD11 LEU 90 5.898 -4.153 3.065 603 HD12 LEU 90 HD12 LEU 90 6.475 -2.950 1.907 604 HD13 LEU 90 HD13 LEU 90 6.552 -4.670 1.509 605 HD21 LEU 90 HD21 LEU 90 5.725 -3.336 -0.327 606 HD22 LEU 90 HD22 LEU 90 4.054 -2.773 -0.380 607 HD23 LEU 90 HD23 LEU 90 4.415 -4.483 -0.611 608 HA PRO 91 HA PRO 91 0.825 -2.296 4.133 609 HB2 PRO 91 HB2 PRO 91 -0.746 -4.134 5.752 610 HB3 PRO 91 HB1 PRO 91 -1.251 -3.145 4.386 611 HG2 PRO 91 HG2 PRO 91 -0.416 -5.962 4.438 612 HG3 PRO 91 HG1 PRO 91 -1.384 -5.100 3.229 613 HD2 PRO 91 HD2 PRO 91 1.105 -5.873 2.676 614 HD3 PRO 91 HD1 PRO 91 0.497 -4.295 2.120 615 H CYS 92 HN CYS 92 0.800 -4.781 6.682 616 HA CYS 92 HA CYS 92 1.468 -2.754 8.578 617 HB2 CYS 92 HB2 CYS 92 1.149 -4.511 10.280 618 HB3 CYS 92 HB1 CYS 92 -0.224 -4.371 9.189 619 H VAL 93 HN VAL 93 3.108 -5.437 7.100 620 HA VAL 93 HA VAL 93 5.246 -5.703 8.875 621 HB VAL 93 HB VAL 93 5.694 -6.105 5.962 622 HG11 VAL 93 HG11 VAL 93 6.968 -7.909 6.634 623 HG12 VAL 93 HG12 VAL 93 6.061 -8.118 8.136 624 HG13 VAL 93 HG13 VAL 93 7.190 -6.774 7.966 625 HG21 VAL 93 HG21 VAL 93 4.396 -8.402 6.562 626 HG22 VAL 93 HG22 VAL 93 3.659 -7.044 5.713 627 HG23 VAL 93 HG23 VAL 93 3.423 -7.231 7.452 628 H LEU 94 HN LEU 94 4.505 -3.293 6.537 629 HA LEU 94 HA LEU 94 7.101 -2.278 6.017 630 HB2 LEU 94 HB2 LEU 94 4.949 -1.893 4.710 631 HB3 LEU 94 HB1 LEU 94 4.495 -0.756 5.957 632 HG LEU 94 HG LEU 94 5.498 0.158 3.788 633 HD11 LEU 94 HD11 LEU 94 6.768 1.919 5.017 634 HD12 LEU 94 HD12 LEU 94 6.540 0.968 6.486 635 HD13 LEU 94 HD13 LEU 94 5.142 1.613 5.626 636 HD21 LEU 94 HD21 LEU 94 7.499 -0.562 3.188 637 HD22 LEU 94 HD22 LEU 94 7.644 -1.501 4.671 638 HD23 LEU 94 HD23 LEU 94 8.177 0.182 4.637 639 H ALA 95 HN ALA 95 4.663 -1.612 8.458 640 HA ALA 95 HA ALA 95 5.672 0.730 9.562 641 HB1 ALA 95 HB1 ALA 95 4.622 -0.943 11.639 642 HB2 ALA 95 HB2 ALA 95 3.638 -1.097 10.183 643 HB3 ALA 95 HB3 ALA 95 3.919 0.492 10.896 644 H ALA 96 HN ALA 96 6.437 -2.634 10.454 645 HA ALA 96 HA ALA 96 8.399 -1.754 12.387 646 HB1 ALA 96 HB1 ALA 96 8.690 -4.519 11.884 647 HB2 ALA 96 HB2 ALA 96 6.964 -4.160 11.883 648 HB3 ALA 96 HB3 ALA 96 7.955 -3.731 13.279 649 H LEU 97 HN LEU 97 8.432 -1.953 9.113 650 HA LEU 97 HA LEU 97 11.116 -3.020 8.795 651 HB2 LEU 97 HB2 LEU 97 9.249 -3.388 7.154 652 HB3 LEU 97 HB1 LEU 97 9.327 -1.682 6.763 653 HG LEU 97 HG LEU 97 11.703 -2.037 6.035 654 HD11 LEU 97 HD11 LEU 97 12.402 -4.003 7.087 655 HD12 LEU 97 HD12 LEU 97 12.168 -4.482 5.403 656 HD13 LEU 97 HD13 LEU 97 10.947 -4.882 6.609 657 HD21 LEU 97 HD21 LEU 97 10.335 -1.863 4.223 658 HD22 LEU 97 HD22 LEU 97 9.306 -3.200 4.736 659 HD23 LEU 97 HD23 LEU 97 10.877 -3.530 4.014 660 H LYS 98 HN LYS 98 9.547 -0.009 9.271 661 HA LYS 98 HA LYS 98 11.923 1.496 8.433 662 HB2 LYS 98 HB2 LYS 98 9.113 2.014 8.310 663 HB3 LYS 98 HB1 LYS 98 9.858 3.235 9.328 664 HG2 LYS 98 HG2 LYS 98 10.821 2.545 6.560 665 HG3 LYS 98 HG1 LYS 98 9.689 3.850 6.920 666 HD2 LYS 98 HD2 LYS 98 12.422 3.631 8.176 667 HD3 LYS 98 HD1 LYS 98 12.103 4.531 6.686 668 HE2 LYS 98 HE2 LYS 98 10.982 6.190 7.748 669 HE3 LYS 98 HE1 LYS 98 10.358 5.116 9.002 670 HZ1 LYS 98 HZ1 LYS 98 11.950 6.686 9.900 671 HZ2 LYS 98 HZ2 LYS 98 13.139 6.151 8.818 672 HZ3 LYS 98 HZ3 LYS 98 12.558 5.101 10.023 673 H ALA 99 HN ALA 99 10.743 0.079 11.174 674 HA ALA 99 HA ALA 99 12.027 2.099 12.894 675 HB1 ALA 99 HB1 ALA 99 10.457 0.871 14.663 676 HB2 ALA 99 HB2 ALA 99 9.482 0.618 13.214 677 HB3 ALA 99 HB3 ALA 99 9.915 2.253 13.713 678 H ALA 100 HN ALA 100 12.977 1.272 14.856 679 HA ALA 100 HA ALA 100 14.512 0.010 15.937 680 HB1 ALA 100 HB1 ALA 100 13.391 -1.672 16.825 681 HB2 ALA 100 HB2 ALA 100 13.719 -2.636 15.385 682 HB3 ALA 100 HB3 ALA 100 12.252 -1.662 15.476 683 H GLU 101 HN GLU 101 15.680 0.850 13.794 684 HA GLU 101 HA GLU 101 17.291 0.516 12.221 685 HB2 GLU 101 HB2 GLU 101 18.323 -0.433 14.335 686 HB3 GLU 101 HB1 GLU 101 17.870 -2.026 13.752 687 HG2 GLU 101 HG2 GLU 101 20.165 -1.679 13.249 688 HG3 GLU 101 HG1 GLU 101 19.265 -1.615 11.737 689 H GLY 102 HN GLY 102 15.140 0.006 10.972 690 HA2 GLY 102 HA2 GLY 102 14.810 -2.709 10.110 691 HA3 GLY 102 HA1 GLY 102 13.977 -1.304 9.467 692 H CYS 103 HN CYS 103 14.785 -3.319 7.821 693 HA CYS 103 HA CYS 103 16.814 -1.959 6.196 694 HB2 CYS 103 HB2 CYS 103 17.854 -3.885 7.427 695 HB3 CYS 103 HB1 CYS 103 16.730 -4.957 6.601 696 H ALA 104 HN ALA 104 14.859 -1.192 5.185 697 HA ALA 104 HA ALA 104 12.942 -2.881 4.003 698 HB1 ALA 104 HB1 ALA 104 13.690 -0.013 3.587 699 HB2 ALA 104 HB2 ALA 104 12.282 -0.687 4.411 700 HB3 ALA 104 HB3 ALA 104 12.415 -0.788 2.653 701 H SER 105 HN SER 105 15.884 -1.412 2.670 702 HA SER 105 HA SER 105 15.346 -2.292 -0.007 703 HB2 SER 105 HB2 SER 105 16.764 -0.291 0.687 704 HB3 SER 105 HB1 SER 105 18.026 -1.449 1.107 705 HG SER 105 HG SER 105 17.583 -0.404 -1.238 706 H CYS 106 HN CYS 106 15.335 -4.380 2.048 707 HA CYS 106 HA CYS 106 17.503 -6.074 1.009 708 HB2 CYS 106 HB2 CYS 106 17.707 -5.531 3.419 709 HB3 CYS 106 HB1 CYS 106 16.122 -6.236 3.695 710 H PHE 107 HN PHE 107 14.190 -6.159 2.298 711 HA PHE 107 HA PHE 107 13.764 -8.590 0.718 712 HB2 PHE 107 HB2 PHE 107 12.365 -9.331 2.332 713 HB3 PHE 107 HB1 PHE 107 13.195 -8.155 3.311 714 HD1 PHE 107 HD2 PHE 107 10.140 -8.592 1.236 715 HD2 PHE 107 HD1 PHE 107 12.053 -6.566 4.447 716 HE1 PHE 107 HE2 PHE 107 7.998 -7.550 1.850 717 HE2 PHE 107 HE1 PHE 107 9.928 -5.539 5.080 718 HZ PHE 107 HZ PHE 107 7.893 -6.023 3.774 719 H CYS 108 HN CYS 108 12.376 -5.453 1.449 720 HA CYS 108 HA CYS 108 10.336 -5.529 -0.533 721 HB2 CYS 108 HB2 CYS 108 11.277 -3.692 1.463 722 HB3 CYS 108 HB1 CYS 108 11.015 -2.845 -0.058 723 H GLU 109 HN GLU 109 13.043 -6.141 -1.577 724 HA GLU 109 HA GLU 109 13.962 -3.941 -3.116 725 HB2 GLU 109 HB2 GLU 109 15.257 -6.010 -2.454 726 HB3 GLU 109 HB1 GLU 109 14.355 -6.884 -3.677 727 HG2 GLU 109 HG2 GLU 109 15.317 -5.679 -5.429 728 HG3 GLU 109 HG1 GLU 109 15.945 -4.439 -4.344 729 H ASP 110 HN ASP 110 12.368 -6.958 -4.239 730 HA ASP 110 HA ASP 110 11.630 -5.722 -6.736 731 HB2 ASP 110 HB2 ASP 110 12.121 -8.168 -6.540 732 HB3 ASP 110 HB1 ASP 110 10.661 -8.349 -5.572 733 H HIS 111 HN HIS 111 10.193 -6.353 -3.656 734 HA HIS 111 HA HIS 111 7.480 -5.731 -4.375 735 HB2 HIS 111 HB2 HIS 111 8.678 -5.555 -1.603 736 HB3 HIS 111 HB1 HIS 111 7.001 -5.855 -2.034 737 HD2 HIS 111 HD2 HIS 111 10.092 -7.785 -1.053 738 HE1 HIS 111 HE1 HIS 111 7.500 -10.590 -2.920 739 HE2 HIS 111 HE2 HIS 111 9.705 -10.259 -1.732 740 H CYS 112 HN CYS 112 7.743 -3.701 -5.487 741 HA CYS 112 HA CYS 112 7.900 -1.453 -3.637 742 HB2 CYS 112 HB2 CYS 112 10.209 -2.104 -4.638 743 HB3 CYS 112 HB1 CYS 112 9.589 -1.390 -6.121 744 H HIS 113 HN HIS 113 5.521 -1.620 -4.412 745 HA HIS 113 HA HIS 113 5.309 0.009 -6.819 746 HB2 HIS 113 HB2 HIS 113 3.352 -1.122 -7.586 747 HB3 HIS 113 HB1 HIS 113 4.618 -2.308 -7.344 748 HD2 HIS 113 HD2 HIS 113 0.987 -1.694 -6.382 749 HE1 HIS 113 HE1 HIS 113 2.358 -4.919 -3.984 750 HE2 HIS 113 HE2 HIS 113 0.343 -3.780 -4.980 751 H GLY 114 HN GLY 114 4.374 -0.394 -3.537 752 HA2 GLY 114 HA2 GLY 114 2.885 2.097 -3.755 753 HA3 GLY 114 HA1 GLY 114 1.946 0.709 -3.244 754 H VAL 115 HN VAL 115 2.808 -0.454 -1.287 755 HA VAL 115 HA VAL 115 2.890 1.300 0.874 756 HB VAL 115 HB VAL 115 4.012 -1.479 1.069 757 HG11 VAL 115 HG11 VAL 115 2.616 -1.397 3.194 758 HG12 VAL 115 HG12 VAL 115 2.456 0.334 2.891 759 HG13 VAL 115 HG13 VAL 115 4.053 -0.377 3.129 760 HG21 VAL 115 HG21 VAL 115 1.311 -0.671 0.208 761 HG22 VAL 115 HG22 VAL 115 1.380 -1.898 1.470 762 HG23 VAL 115 HG23 VAL 115 2.188 -2.178 -0.074 763 H CYS 116 HN CYS 116 5.629 -0.681 -0.352 764 HA CYS 116 HA CYS 116 7.471 0.621 1.400 765 HB2 CYS 116 HB2 CYS 116 7.597 -1.524 -0.590 766 HB3 CYS 116 HB1 CYS 116 9.059 -0.543 -0.505 767 H LYS 117 HN LYS 117 6.195 1.385 -1.657 768 HA LYS 117 HA LYS 117 8.396 3.118 -2.442 769 HB2 LYS 117 HB2 LYS 117 5.904 2.200 -3.690 770 HB3 LYS 117 HB1 LYS 117 6.281 3.883 -4.020 771 HG2 LYS 117 HG2 LYS 117 8.629 2.999 -4.623 772 HG3 LYS 117 HG1 LYS 117 7.827 1.430 -4.738 773 HD2 LYS 117 HD2 LYS 117 6.244 2.372 -6.367 774 HD3 LYS 117 HD1 LYS 117 7.074 3.925 -6.266 775 HE2 LYS 117 HE2 LYS 117 8.178 1.316 -7.296 776 HE3 LYS 117 HE1 LYS 117 7.868 2.784 -8.219 777 HZ1 LYS 117 HZ1 LYS 117 9.671 3.877 -7.245 778 HZ2 LYS 117 HZ2 LYS 117 10.258 2.305 -7.526 779 HZ3 LYS 117 HZ3 LYS 117 9.783 2.765 -5.968 780 H ASP 118 HN ASP 118 5.461 3.347 -0.670 781 HA ASP 118 HA ASP 118 4.909 6.090 -0.918 782 HB2 ASP 118 HB2 ASP 118 3.411 4.271 0.023 783 HB3 ASP 118 HB1 ASP 118 4.354 4.366 1.505 784 H LEU 119 HN LEU 119 6.845 4.303 1.456 785 HA LEU 119 HA LEU 119 7.678 6.782 2.726 786 HB2 LEU 119 HB2 LEU 119 7.829 3.902 3.389 787 HB3 LEU 119 HB1 LEU 119 9.134 4.906 3.988 788 HG LEU 119 HG LEU 119 7.339 4.604 5.652 789 HD11 LEU 119 HD11 LEU 119 7.114 7.466 4.981 790 HD12 LEU 119 HD12 LEU 119 8.747 6.820 5.143 791 HD13 LEU 119 HD13 LEU 119 7.607 6.681 6.482 792 HD21 LEU 119 HD21 LEU 119 5.546 4.671 3.740 793 HD22 LEU 119 HD22 LEU 119 5.560 6.401 4.083 794 HD23 LEU 119 HD23 LEU 119 5.163 5.253 5.360 795 H HIS 120 HN HIS 120 8.601 5.457 -0.039 796 HA HIS 120 HA HIS 120 10.489 5.391 -1.316 797 HB2 HIS 120 HB2 HIS 120 11.243 7.621 0.582 798 HB3 HIS 120 HB1 HIS 120 12.175 7.205 -0.851 799 HD2 HIS 120 HD2 HIS 120 9.524 9.627 0.088 800 HE1 HIS 120 HE1 HIS 120 8.937 8.920 -4.057 801 HE2 HIS 120 HE2 HIS 120 8.208 10.271 -2.049 802 H LEU 121 HN LEU 121 10.646 3.247 -0.015 803 HA LEU 121 HA LEU 121 13.148 3.203 1.492 804 HB2 LEU 121 HB2 LEU 121 10.848 1.269 1.476 805 HB3 LEU 121 HB1 LEU 121 12.328 1.043 2.387 806 HG LEU 121 HG LEU 121 10.402 3.331 2.786 807 HD11 LEU 121 HD11 LEU 121 10.865 1.118 4.736 808 HD12 LEU 121 HD12 LEU 121 9.712 0.908 3.416 809 HD13 LEU 121 HD13 LEU 121 9.489 2.210 4.585 810 HD21 LEU 121 HD21 LEU 121 13.041 3.316 3.377 811 HD22 LEU 121 HD22 LEU 121 12.365 2.627 4.857 812 HD23 LEU 121 HD23 LEU 121 11.824 4.206 4.289 813 H CYS 122 HN CYS 122 11.841 2.289 -1.485 814 HA CYS 122 HA CYS 122 14.174 0.583 -1.983 815 HB2 CYS 122 HB2 CYS 122 12.579 -0.774 -3.527 816 HB3 CYS 122 HB1 CYS 122 12.559 -1.091 -1.798 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -26.921 6.503 0.594 2 H2 ALA 1 HT2 ALA 1 -27.341 5.125 -0.345 3 H3 ALA 1 HT3 ALA 1 -25.773 5.256 0.343 4 HA ALA 1 HA ALA 1 -26.737 5.220 2.536 5 HB1 ALA 1 HB1 ALA 1 -28.944 6.013 2.158 6 HB2 ALA 1 HB2 ALA 1 -29.093 4.331 2.676 7 HB3 ALA 1 HB3 ALA 1 -29.266 4.750 0.971 8 H MET 2 HN MET 2 -28.708 2.932 0.787 9 HA MET 2 HA MET 2 -28.742 0.678 0.765 10 HB2 MET 2 HB2 MET 2 -26.450 -0.270 -0.194 11 HB3 MET 2 HB1 MET 2 -27.612 0.588 -1.186 12 HG2 MET 2 HG2 MET 2 -26.260 2.672 -0.771 13 HG3 MET 2 HG1 MET 2 -25.045 1.636 -0.026 14 HE1 MET 2 HE1 MET 2 -25.006 -1.046 -2.372 15 HE2 MET 2 HE2 MET 2 -24.091 -0.335 -1.042 16 HE3 MET 2 HE3 MET 2 -23.440 -0.302 -2.682 17 H GLY 3 HN GLY 3 -26.978 -1.351 1.105 18 HA2 GLY 3 HA2 GLY 3 -26.254 -1.080 3.959 19 HA3 GLY 3 HA1 GLY 3 -27.013 -2.524 3.300 20 H LYS 4 HN LYS 4 -24.278 -0.436 2.466 21 HA LYS 4 HA LYS 4 -22.162 -0.864 1.817 22 HB2 LYS 4 HB2 LYS 4 -22.474 -3.257 3.645 23 HB3 LYS 4 HB1 LYS 4 -20.945 -2.635 3.035 24 HG2 LYS 4 HG2 LYS 4 -21.332 -0.516 4.181 25 HG3 LYS 4 HG1 LYS 4 -22.878 -1.113 4.781 26 HD2 LYS 4 HD2 LYS 4 -21.642 -2.930 5.962 27 HD3 LYS 4 HD1 LYS 4 -20.132 -2.160 5.468 28 HE2 LYS 4 HE2 LYS 4 -22.294 -0.872 7.142 29 HE3 LYS 4 HE1 LYS 4 -20.783 -1.541 7.759 30 HZ1 LYS 4 HZ1 LYS 4 -20.592 0.833 7.534 31 HZ2 LYS 4 HZ2 LYS 4 -21.060 0.775 5.908 32 HZ3 LYS 4 HZ3 LYS 4 -19.579 0.094 6.395 33 H CYS 5 HN CYS 5 -21.714 -4.150 1.925 34 HA CYS 5 HA CYS 5 -22.876 -4.549 -0.731 35 HB2 CYS 5 HB2 CYS 5 -19.970 -4.866 -0.026 36 HB3 CYS 5 HB1 CYS 5 -20.690 -5.718 -1.387 37 H SER 6 HN SER 6 -23.543 -6.550 -1.196 38 HA SER 6 HA SER 6 -23.303 -8.570 0.924 39 HB2 SER 6 HB2 SER 6 -25.351 -9.552 -0.243 40 HB3 SER 6 HB1 SER 6 -25.599 -8.005 0.571 41 HG SER 6 HG SER 6 -26.477 -7.712 -1.400 42 H VAL 7 HN VAL 7 -24.051 -10.815 -0.651 43 HA VAL 7 HA VAL 7 -21.541 -11.249 -2.000 44 HB VAL 7 HB VAL 7 -22.705 -13.006 -0.621 45 HG11 VAL 7 HG11 VAL 7 -24.969 -12.466 -1.793 46 HG12 VAL 7 HG12 VAL 7 -24.604 -14.121 -1.311 47 HG13 VAL 7 HG13 VAL 7 -24.411 -13.630 -2.992 48 HG21 VAL 7 HG21 VAL 7 -22.137 -14.874 -2.128 49 HG22 VAL 7 HG22 VAL 7 -20.890 -13.626 -2.066 50 HG23 VAL 7 HG23 VAL 7 -21.973 -13.722 -3.456 51 H LEU 8 HN LEU 8 -24.673 -10.195 -2.927 52 HA LEU 8 HA LEU 8 -24.146 -10.853 -5.729 53 HB2 LEU 8 HB2 LEU 8 -26.433 -10.039 -6.189 54 HB3 LEU 8 HB1 LEU 8 -26.381 -11.404 -5.094 55 HG LEU 8 HG LEU 8 -26.600 -8.619 -3.994 56 HD11 LEU 8 HD11 LEU 8 -28.921 -8.570 -4.249 57 HD12 LEU 8 HD12 LEU 8 -29.001 -10.277 -4.690 58 HD13 LEU 8 HD13 LEU 8 -28.336 -9.101 -5.829 59 HD21 LEU 8 HD21 LEU 8 -26.186 -10.709 -2.588 60 HD22 LEU 8 HD22 LEU 8 -27.825 -11.185 -3.022 61 HD23 LEU 8 HD23 LEU 8 -27.551 -9.693 -2.123 62 H LYS 9 HN LYS 9 -24.466 -8.114 -3.545 63 HA LYS 9 HA LYS 9 -24.109 -6.193 -5.678 64 HB2 LYS 9 HB2 LYS 9 -24.539 -6.041 -2.724 65 HB3 LYS 9 HB1 LYS 9 -23.768 -4.686 -3.522 66 HG2 LYS 9 HG2 LYS 9 -25.930 -4.006 -3.612 67 HG3 LYS 9 HG1 LYS 9 -25.832 -4.880 -5.137 68 HD2 LYS 9 HD2 LYS 9 -26.858 -6.833 -4.100 69 HD3 LYS 9 HD1 LYS 9 -26.909 -5.993 -2.549 70 HE2 LYS 9 HE2 LYS 9 -28.360 -5.155 -5.068 71 HE3 LYS 9 HE1 LYS 9 -29.090 -5.922 -3.658 72 HZ1 LYS 9 HZ1 LYS 9 -28.268 -3.936 -2.356 73 HZ2 LYS 9 HZ2 LYS 9 -29.519 -3.642 -3.452 74 HZ3 LYS 9 HZ3 LYS 9 -27.933 -3.192 -3.852 75 H LYS 10 HN LYS 10 -22.064 -8.305 -5.000 76 HA LYS 10 HA LYS 10 -19.803 -6.925 -3.900 77 HB2 LYS 10 HB2 LYS 10 -18.552 -8.961 -4.493 78 HB3 LYS 10 HB1 LYS 10 -20.045 -9.356 -3.649 79 HG2 LYS 10 HG2 LYS 10 -20.119 -10.902 -5.312 80 HG3 LYS 10 HG1 LYS 10 -20.980 -9.578 -6.102 81 HD2 LYS 10 HD2 LYS 10 -18.891 -8.891 -7.193 82 HD3 LYS 10 HD1 LYS 10 -18.049 -10.232 -6.420 83 HE2 LYS 10 HE2 LYS 10 -20.298 -10.422 -8.412 84 HE3 LYS 10 HE1 LYS 10 -18.610 -10.823 -8.693 85 HZ1 LYS 10 HZ1 LYS 10 -20.669 -12.336 -7.257 86 HZ2 LYS 10 HZ2 LYS 10 -19.092 -12.424 -6.653 87 HZ3 LYS 10 HZ3 LYS 10 -19.416 -12.888 -8.261 88 H VAL 11 HN VAL 11 -21.342 -6.838 -6.846 89 HA VAL 11 HA VAL 11 -19.187 -6.612 -8.671 90 HB VAL 11 HB VAL 11 -21.837 -5.211 -9.009 91 HG11 VAL 11 HG11 VAL 11 -20.064 -6.618 -10.997 92 HG12 VAL 11 HG12 VAL 11 -20.101 -4.878 -10.722 93 HG13 VAL 11 HG13 VAL 11 -21.526 -5.703 -11.351 94 HG21 VAL 11 HG21 VAL 11 -21.304 -8.153 -9.392 95 HG22 VAL 11 HG22 VAL 11 -22.749 -7.302 -9.942 96 HG23 VAL 11 HG23 VAL 11 -22.404 -7.430 -8.216 97 H ALA 12 HN ALA 12 -20.551 -4.446 -6.344 98 HA ALA 12 HA ALA 12 -19.585 -2.050 -7.602 99 HB1 ALA 12 HB1 ALA 12 -20.656 -2.418 -4.812 100 HB2 ALA 12 HB2 ALA 12 -21.626 -2.045 -6.241 101 HB3 ALA 12 HB3 ALA 12 -20.426 -0.886 -5.660 102 H CYS 13 HN CYS 13 -18.018 -4.410 -5.710 103 HA CYS 13 HA CYS 13 -16.134 -2.377 -4.731 104 HB2 CYS 13 HB2 CYS 13 -15.155 -4.272 -3.360 105 HB3 CYS 13 HB1 CYS 13 -16.753 -3.700 -2.893 106 H ALA 14 HN ALA 14 -16.147 -5.515 -6.391 107 HA ALA 14 HA ALA 14 -13.378 -5.579 -6.852 108 HB1 ALA 14 HB1 ALA 14 -14.333 -7.058 -8.894 109 HB2 ALA 14 HB2 ALA 14 -15.729 -7.049 -7.820 110 HB3 ALA 14 HB3 ALA 14 -14.172 -7.640 -7.241 111 H ALA 15 HN ALA 15 -16.012 -4.240 -8.793 112 HA ALA 15 HA ALA 15 -14.295 -3.651 -11.014 113 HB1 ALA 15 HB1 ALA 15 -16.240 -2.515 -11.961 114 HB2 ALA 15 HB2 ALA 15 -17.092 -2.689 -10.425 115 HB3 ALA 15 HB3 ALA 15 -16.658 -4.122 -11.361 116 H ALA 16 HN ALA 16 -14.823 -2.107 -8.028 117 HA ALA 16 HA ALA 16 -14.103 0.511 -9.134 118 HB1 ALA 16 HB1 ALA 16 -15.821 -0.271 -7.024 119 HB2 ALA 16 HB2 ALA 16 -15.485 1.357 -7.624 120 HB3 ALA 16 HB3 ALA 16 -14.504 0.665 -6.328 121 H ILE 17 HN ILE 17 -12.992 -1.911 -6.810 122 HA ILE 17 HA ILE 17 -10.775 -0.361 -5.917 123 HB ILE 17 HB ILE 17 -11.864 -2.204 -4.641 124 HG12 ILE 17 HG12 ILE 17 -9.705 -3.059 -3.670 125 HG13 ILE 17 HG11 ILE 17 -8.879 -2.291 -5.026 126 HG21 ILE 17 HG21 ILE 17 -10.344 -4.418 -5.387 127 HG22 ILE 17 HG22 ILE 17 -11.107 -3.796 -6.852 128 HG23 ILE 17 HG23 ILE 17 -12.099 -4.216 -5.448 129 HD11 ILE 17 HD11 ILE 17 -9.193 -0.193 -4.207 130 HD12 ILE 17 HD12 ILE 17 -9.139 -1.102 -2.696 131 HD13 ILE 17 HD13 ILE 17 -10.690 -0.621 -3.379 132 H ALA 18 HN ALA 18 -11.308 -2.748 -8.354 133 HA ALA 18 HA ALA 18 -8.694 -3.430 -9.056 134 HB1 ALA 18 HB1 ALA 18 -9.697 -4.664 -10.603 135 HB2 ALA 18 HB2 ALA 18 -10.396 -3.244 -11.378 136 HB3 ALA 18 HB3 ALA 18 -11.222 -4.002 -10.016 137 H GLY 19 HN GLY 19 -10.397 -0.488 -9.652 138 HA2 GLY 19 HA2 GLY 19 -8.817 0.328 -11.907 139 HA3 GLY 19 HA1 GLY 19 -9.944 1.327 -11.006 140 H ALA 20 HN ALA 20 -8.621 0.683 -8.458 141 HA ALA 20 HA ALA 20 -6.651 2.758 -8.557 142 HB1 ALA 20 HB1 ALA 20 -7.418 1.042 -6.204 143 HB2 ALA 20 HB2 ALA 20 -8.287 2.496 -6.696 144 HB3 ALA 20 HB3 ALA 20 -6.611 2.610 -6.168 145 H VAL 21 HN VAL 21 -6.625 -0.648 -8.805 146 HA VAL 21 HA VAL 21 -4.149 -1.259 -7.672 147 HB VAL 21 HB VAL 21 -5.565 -2.586 -9.997 148 HG11 VAL 21 HG11 VAL 21 -3.028 -3.066 -8.878 149 HG12 VAL 21 HG12 VAL 21 -3.894 -4.030 -10.075 150 HG13 VAL 21 HG13 VAL 21 -4.082 -4.380 -8.354 151 HG21 VAL 21 HG21 VAL 21 -6.718 -3.932 -8.476 152 HG22 VAL 21 HG22 VAL 21 -6.815 -2.317 -7.766 153 HG23 VAL 21 HG23 VAL 21 -5.658 -3.492 -7.136 154 H ALA 22 HN ALA 22 -5.067 -0.381 -10.998 155 HA ALA 22 HA ALA 22 -2.456 -0.581 -12.080 156 HB1 ALA 22 HB1 ALA 22 -3.475 0.805 -13.952 157 HB2 ALA 22 HB2 ALA 22 -4.976 0.744 -13.026 158 HB3 ALA 22 HB3 ALA 22 -4.234 -0.749 -13.601 159 H ALA 23 HN ALA 23 -4.062 1.917 -10.304 160 HA ALA 23 HA ALA 23 -2.268 4.014 -11.169 161 HB1 ALA 23 HB1 ALA 23 -4.825 3.973 -10.089 162 HB2 ALA 23 HB2 ALA 23 -3.829 5.402 -10.386 163 HB3 ALA 23 HB3 ALA 23 -3.813 4.629 -8.799 164 H CYS 24 HN CYS 24 -2.504 1.693 -8.666 165 HA CYS 24 HA CYS 24 -0.636 3.023 -6.900 166 HB2 CYS 24 HB2 CYS 24 -2.190 1.860 -5.664 167 HB3 CYS 24 HB1 CYS 24 -2.268 0.530 -6.817 168 H GLY 25 HN GLY 25 -0.597 0.571 -9.377 169 HA2 GLY 25 HA2 GLY 25 1.299 -0.220 -10.503 170 HA3 GLY 25 HA1 GLY 25 2.309 0.560 -9.287 171 H GLY 26 HN GLY 26 -0.367 -1.633 -8.758 172 HA2 GLY 26 HA2 GLY 26 0.467 -4.098 -8.515 173 HA3 GLY 26 HA1 GLY 26 1.387 -3.378 -7.193 174 H ILE 27 HN ILE 27 -0.240 -5.247 -6.296 175 HA ILE 27 HA ILE 27 -2.500 -3.696 -5.243 176 HB ILE 27 HB ILE 27 -3.564 -5.133 -6.761 177 HG12 ILE 27 HG12 ILE 27 -4.767 -6.782 -5.265 178 HG13 ILE 27 HG11 ILE 27 -3.655 -6.295 -3.985 179 HG21 ILE 27 HG21 ILE 27 -2.012 -6.699 -7.441 180 HG22 ILE 27 HG22 ILE 27 -3.168 -7.682 -6.539 181 HG23 ILE 27 HG23 ILE 27 -1.646 -7.202 -5.791 182 HD11 ILE 27 HD11 ILE 27 -4.456 -3.964 -4.276 183 HD12 ILE 27 HD12 ILE 27 -5.694 -5.090 -3.721 184 HD13 ILE 27 HD13 ILE 27 -5.661 -4.574 -5.405 185 H ASP 28 HN ASP 28 -2.488 -3.514 -3.153 186 HA ASP 28 HA ASP 28 -1.579 -5.714 -1.464 187 HB2 ASP 28 HB2 ASP 28 -0.207 -3.143 -1.745 188 HB3 ASP 28 HB1 ASP 28 -0.673 -3.485 -0.082 189 H LEU 29 HN LEU 29 -2.379 -2.328 -0.874 190 HA LEU 29 HA LEU 29 -5.045 -2.479 -0.297 191 HB2 LEU 29 HB2 LEU 29 -4.587 -4.129 1.397 192 HB3 LEU 29 HB1 LEU 29 -3.398 -3.092 2.155 193 HG LEU 29 HG LEU 29 -5.108 -1.579 2.922 194 HD11 LEU 29 HD11 LEU 29 -6.902 -3.218 1.174 195 HD12 LEU 29 HD12 LEU 29 -6.738 -1.457 1.266 196 HD13 LEU 29 HD13 LEU 29 -7.542 -2.343 2.569 197 HD21 LEU 29 HD21 LEU 29 -4.768 -4.154 3.798 198 HD22 LEU 29 HD22 LEU 29 -6.521 -4.017 3.639 199 HD23 LEU 29 HD23 LEU 29 -5.630 -2.874 4.653 200 HA PRO 30 HA PRO 30 -2.926 1.301 2.221 201 HB2 PRO 30 HB2 PRO 30 -0.485 1.774 0.884 202 HB3 PRO 30 HB1 PRO 30 -0.699 1.234 2.550 203 HG2 PRO 30 HG2 PRO 30 -0.129 -0.357 0.100 204 HG3 PRO 30 HG1 PRO 30 0.405 -0.632 1.769 205 HD2 PRO 30 HD2 PRO 30 -1.514 -2.130 0.689 206 HD3 PRO 30 HD1 PRO 30 -1.618 -1.606 2.385 207 H CYS 31 HN CYS 31 -1.490 1.069 -0.996 208 HA CYS 31 HA CYS 31 -2.252 3.650 -1.781 209 HB2 CYS 31 HB2 CYS 31 -1.614 2.729 -4.099 210 HB3 CYS 31 HB1 CYS 31 -0.370 2.689 -2.845 211 H VAL 32 HN VAL 32 -3.714 0.490 -2.346 212 HA VAL 32 HA VAL 32 -5.599 1.328 -4.266 213 HB VAL 32 HB VAL 32 -6.224 -1.004 -2.567 214 HG11 VAL 32 HG11 VAL 32 -6.567 -2.074 -4.714 215 HG12 VAL 32 HG12 VAL 32 -5.865 -0.684 -5.536 216 HG13 VAL 32 HG13 VAL 32 -7.391 -0.516 -4.671 217 HG21 VAL 32 HG21 VAL 32 -3.649 -0.796 -4.101 218 HG22 VAL 32 HG22 VAL 32 -4.412 -2.341 -3.730 219 HG23 VAL 32 HG23 VAL 32 -3.889 -1.281 -2.423 220 H LEU 33 HN LEU 33 -5.468 1.634 -0.859 221 HA LEU 33 HA LEU 33 -8.201 1.590 -0.179 222 HB2 LEU 33 HB2 LEU 33 -6.426 1.424 1.473 223 HB3 LEU 33 HB1 LEU 33 -5.874 3.043 1.082 224 HG LEU 33 HG LEU 33 -8.066 3.924 1.910 225 HD11 LEU 33 HD11 LEU 33 -8.434 1.061 2.776 226 HD12 LEU 33 HD12 LEU 33 -9.447 1.979 1.660 227 HD13 LEU 33 HD13 LEU 33 -9.390 2.419 3.366 228 HD21 LEU 33 HD21 LEU 33 -5.822 3.421 3.265 229 HD22 LEU 33 HD22 LEU 33 -6.933 2.397 4.179 230 HD23 LEU 33 HD23 LEU 33 -7.254 4.125 4.014 231 H ALA 34 HN ALA 34 -6.272 3.936 -1.790 232 HA ALA 34 HA ALA 34 -7.427 6.355 -1.175 233 HB1 ALA 34 HB1 ALA 34 -6.551 5.587 -3.947 234 HB2 ALA 34 HB2 ALA 34 -5.433 5.950 -2.629 235 HB3 ALA 34 HB3 ALA 34 -6.546 7.192 -3.209 236 H ALA 35 HN ALA 35 -8.749 3.852 -3.258 237 HA ALA 35 HA ALA 35 -11.100 5.585 -3.687 238 HB1 ALA 35 HB1 ALA 35 -11.478 4.280 -5.788 239 HB2 ALA 35 HB2 ALA 35 -9.894 3.545 -5.546 240 HB3 ALA 35 HB3 ALA 35 -10.027 5.284 -5.802 241 H LEU 36 HN LEU 36 -10.884 4.039 -1.405 242 HA LEU 36 HA LEU 36 -12.936 2.000 -1.939 243 HB2 LEU 36 HB2 LEU 36 -10.536 1.137 -1.580 244 HB3 LEU 36 HB1 LEU 36 -10.771 1.590 0.098 245 HG LEU 36 HG LEU 36 -12.693 0.040 0.232 246 HD11 LEU 36 HD11 LEU 36 -13.686 -0.552 -1.665 247 HD12 LEU 36 HD12 LEU 36 -12.318 -1.629 -1.952 248 HD13 LEU 36 HD13 LEU 36 -12.318 -0.001 -2.636 249 HD21 LEU 36 HD21 LEU 36 -11.172 -2.068 -0.340 250 HD22 LEU 36 HD22 LEU 36 -10.865 -1.032 1.050 251 HD23 LEU 36 HD23 LEU 36 -9.932 -0.819 -0.429 252 H LYS 37 HN LYS 37 -12.144 4.750 -0.169 253 HA LYS 37 HA LYS 37 -13.591 3.981 2.224 254 HB2 LYS 37 HB2 LYS 37 -11.611 5.539 2.271 255 HB3 LYS 37 HB1 LYS 37 -12.624 6.747 1.488 256 HG2 LYS 37 HG2 LYS 37 -14.224 6.490 3.431 257 HG3 LYS 37 HG1 LYS 37 -12.955 5.554 4.227 258 HD2 LYS 37 HD2 LYS 37 -11.452 7.442 4.137 259 HD3 LYS 37 HD1 LYS 37 -12.630 8.378 3.208 260 HE2 LYS 37 HE2 LYS 37 -14.202 8.191 5.133 261 HE3 LYS 37 HE1 LYS 37 -12.921 7.406 6.058 262 HZ1 LYS 37 HZ1 LYS 37 -13.103 10.211 5.156 263 HZ2 LYS 37 HZ2 LYS 37 -11.585 9.522 5.474 264 HZ3 LYS 37 HZ3 LYS 37 -12.754 9.597 6.702 265 H ALA 38 HN ALA 38 -15.564 3.451 1.017 266 HA ALA 38 HA ALA 38 -17.641 5.209 1.455 267 HB1 ALA 38 HB1 ALA 38 -16.629 6.599 -0.332 268 HB2 ALA 38 HB2 ALA 38 -18.264 6.059 -0.719 269 HB3 ALA 38 HB3 ALA 38 -16.874 5.268 -1.464 270 H ALA 39 HN ALA 39 -19.703 4.523 0.244 271 HA ALA 39 HA ALA 39 -19.914 1.679 0.331 272 HB1 ALA 39 HB1 ALA 39 -22.168 2.403 -0.984 273 HB2 ALA 39 HB2 ALA 39 -21.748 3.932 -0.206 274 HB3 ALA 39 HB3 ALA 39 -21.988 2.480 0.770 275 H GLU 40 HN GLU 40 -19.636 4.095 -2.181 276 HA GLU 40 HA GLU 40 -19.743 2.196 -4.346 277 HB2 GLU 40 HB2 GLU 40 -18.805 4.348 -5.566 278 HB3 GLU 40 HB1 GLU 40 -20.495 4.247 -5.092 279 HG2 GLU 40 HG2 GLU 40 -19.785 5.421 -2.941 280 HG3 GLU 40 HG1 GLU 40 -18.273 5.774 -3.777 281 H GLY 41 HN GLY 41 -18.202 0.759 -3.800 282 HA2 GLY 41 HA2 GLY 41 -15.810 0.458 -4.756 283 HA3 GLY 41 HA1 GLY 41 -15.419 1.630 -3.490 284 H CYS 42 HN CYS 42 -17.313 0.859 -1.641 285 HA CYS 42 HA CYS 42 -17.588 -0.430 0.178 286 HB2 CYS 42 HB2 CYS 42 -17.820 -2.180 -2.135 287 HB3 CYS 42 HB1 CYS 42 -17.456 -3.037 -0.640 288 H ALA 43 HN ALA 43 -15.815 -0.019 1.424 289 HA ALA 43 HA ALA 43 -13.338 -1.414 1.117 290 HB1 ALA 43 HB1 ALA 43 -12.853 -0.521 3.395 291 HB2 ALA 43 HB2 ALA 43 -14.485 0.149 3.431 292 HB3 ALA 43 HB3 ALA 43 -13.326 0.717 2.228 293 H SER 44 HN SER 44 -16.379 -2.037 2.614 294 HA SER 44 HA SER 44 -15.500 -4.093 4.402 295 HB2 SER 44 HB2 SER 44 -18.015 -4.550 4.510 296 HB3 SER 44 HB1 SER 44 -17.475 -2.952 5.027 297 HG SER 44 HG SER 44 -19.158 -2.586 3.664 298 H CYS 45 HN CYS 45 -15.168 -4.170 1.300 299 HA CYS 45 HA CYS 45 -16.169 -6.917 0.924 300 HB2 CYS 45 HB2 CYS 45 -17.143 -5.403 -0.700 301 HB3 CYS 45 HB1 CYS 45 -15.559 -4.750 -1.104 302 H PHE 46 HN PHE 46 -13.547 -4.738 -0.066 303 HA PHE 46 HA PHE 46 -11.716 -6.880 -0.584 304 HB2 PHE 46 HB2 PHE 46 -11.631 -4.819 -1.872 305 HB3 PHE 46 HB1 PHE 46 -11.365 -3.878 -0.414 306 HD1 PHE 46 HD2 PHE 46 -9.501 -6.929 -0.358 307 HD2 PHE 46 HD1 PHE 46 -9.531 -2.969 -1.903 308 HE1 PHE 46 HE2 PHE 46 -7.072 -7.055 -0.721 309 HE2 PHE 46 HE1 PHE 46 -7.119 -3.090 -2.282 310 HZ PHE 46 HZ PHE 46 -5.875 -5.133 -1.676 311 H CYS 47 HN CYS 47 -11.811 -4.251 1.841 312 HA CYS 47 HA CYS 47 -9.620 -5.215 3.350 313 HB2 CYS 47 HB2 CYS 47 -11.859 -3.424 4.277 314 HB3 CYS 47 HB1 CYS 47 -10.265 -3.581 5.008 315 H GLU 48 HN GLU 48 -12.409 -6.815 3.019 316 HA GLU 48 HA GLU 48 -13.215 -7.316 5.681 317 HB2 GLU 48 HB2 GLU 48 -14.473 -7.801 3.504 318 HB3 GLU 48 HB1 GLU 48 -13.465 -9.218 3.344 319 HG2 GLU 48 HG2 GLU 48 -15.709 -9.671 4.299 320 HG3 GLU 48 HG1 GLU 48 -14.363 -10.216 5.294 321 H ASP 49 HN ASP 49 -11.686 -9.640 3.471 322 HA ASP 49 HA ASP 49 -10.631 -11.203 5.635 323 HB2 ASP 49 HB2 ASP 49 -11.194 -11.607 2.907 324 HB3 ASP 49 HB1 ASP 49 -9.453 -11.815 3.070 325 H HIS 50 HN HIS 50 -9.600 -8.533 3.823 326 HA HIS 50 HA HIS 50 -6.786 -8.913 4.625 327 HB2 HIS 50 HB2 HIS 50 -7.803 -6.974 2.545 328 HB3 HIS 50 HB1 HIS 50 -6.155 -7.540 2.784 329 HD2 HIS 50 HD2 HIS 50 -9.393 -8.541 0.928 330 HE1 HIS 50 HE1 HIS 50 -6.464 -11.530 0.159 331 HE2 HIS 50 HE2 HIS 50 -8.590 -10.441 -0.662 332 H CYS 51 HN CYS 51 -7.276 -8.071 6.787 333 HA CYS 51 HA CYS 51 -7.420 -5.145 6.734 334 HB2 CYS 51 HB2 CYS 51 -9.697 -6.098 7.187 335 HB3 CYS 51 HB1 CYS 51 -9.041 -6.800 8.667 336 H HIS 52 HN HIS 52 -5.179 -5.125 7.250 337 HA HIS 52 HA HIS 52 -4.759 -5.424 10.082 338 HB2 HIS 52 HB2 HIS 52 -2.694 -6.639 9.926 339 HB3 HIS 52 HB1 HIS 52 -3.970 -7.576 9.184 340 HD2 HIS 52 HD2 HIS 52 -1.396 -8.733 8.158 341 HE1 HIS 52 HE1 HIS 52 -1.328 -5.926 4.981 342 HE2 HIS 52 HE2 HIS 52 -0.479 -8.162 5.800 343 H GLY 53 HN GLY 53 -4.564 -3.645 7.367 344 HA2 GLY 53 HA2 GLY 53 -2.928 -1.652 8.679 345 HA3 GLY 53 HA1 GLY 53 -2.249 -2.285 7.185 346 H VAL 54 HN VAL 54 -2.859 0.377 7.469 347 HA VAL 54 HA VAL 54 -3.979 2.166 6.695 348 HB VAL 54 HB VAL 54 -4.685 2.045 4.259 349 HG11 VAL 54 HG11 VAL 54 -2.644 3.016 4.497 350 HG12 VAL 54 HG12 VAL 54 -2.182 1.580 3.587 351 HG13 VAL 54 HG13 VAL 54 -1.950 1.629 5.336 352 HG21 VAL 54 HG21 VAL 54 -4.987 0.019 3.401 353 HG22 VAL 54 HG22 VAL 54 -4.147 -0.764 4.742 354 HG23 VAL 54 HG23 VAL 54 -3.227 -0.114 3.383 355 H CYS 55 HN CYS 55 -6.087 -0.466 5.451 356 HA CYS 55 HA CYS 55 -8.414 1.116 5.495 357 HB2 CYS 55 HB2 CYS 55 -7.806 -1.284 4.455 358 HB3 CYS 55 HB1 CYS 55 -8.694 -1.808 5.883 359 H LYS 56 HN LYS 56 -6.913 -0.911 7.929 360 HA LYS 56 HA LYS 56 -9.130 -0.888 9.736 361 HB2 LYS 56 HB2 LYS 56 -7.683 -1.881 11.336 362 HB3 LYS 56 HB1 LYS 56 -7.203 -2.541 9.782 363 HG2 LYS 56 HG2 LYS 56 -5.299 -1.044 9.695 364 HG3 LYS 56 HG1 LYS 56 -5.813 -0.271 11.199 365 HD2 LYS 56 HD2 LYS 56 -5.617 -2.570 12.269 366 HD3 LYS 56 HD1 LYS 56 -4.798 -3.072 10.790 367 HE2 LYS 56 HE2 LYS 56 -3.146 -2.464 12.427 368 HE3 LYS 56 HE1 LYS 56 -3.148 -1.261 11.136 369 HZ1 LYS 56 HZ1 LYS 56 -4.952 -0.347 13.035 370 HZ2 LYS 56 HZ2 LYS 56 -3.408 0.275 12.700 371 HZ3 LYS 56 HZ3 LYS 56 -3.609 -0.907 13.912 372 H ASP 57 HN ASP 57 -6.496 1.262 9.063 373 HA ASP 57 HA ASP 57 -6.513 2.782 11.443 374 HB2 ASP 57 HB2 ASP 57 -4.820 2.684 9.415 375 HB3 ASP 57 HB1 ASP 57 -5.805 4.006 8.801 376 H LEU 58 HN LEU 58 -8.282 3.054 8.396 377 HA LEU 58 HA LEU 58 -9.630 5.472 9.271 378 HB2 LEU 58 HB2 LEU 58 -9.964 3.803 6.783 379 HB3 LEU 58 HB1 LEU 58 -10.816 5.301 7.099 380 HG LEU 58 HG LEU 58 -7.819 5.023 6.787 381 HD11 LEU 58 HD11 LEU 58 -8.749 4.789 4.646 382 HD12 LEU 58 HD12 LEU 58 -8.336 6.498 4.780 383 HD13 LEU 58 HD13 LEU 58 -10.008 5.979 4.974 384 HD21 LEU 58 HD21 LEU 58 -9.060 7.663 6.625 385 HD22 LEU 58 HD22 LEU 58 -7.581 7.146 7.439 386 HD23 LEU 58 HD23 LEU 58 -9.146 6.926 8.228 387 H HIS 59 HN HIS 59 -9.992 2.398 10.133 388 HA HIS 59 HA HIS 59 -11.630 1.131 11.043 389 HB2 HIS 59 HB2 HIS 59 -12.948 3.839 11.236 390 HB3 HIS 59 HB1 HIS 59 -13.675 2.377 11.897 391 HD2 HIS 59 HD2 HIS 59 -10.180 1.770 12.707 392 HE1 HIS 59 HE1 HIS 59 -11.489 4.318 15.839 393 HE2 HIS 59 HE2 HIS 59 -9.618 2.849 14.986 394 H LEU 60 HN LEU 60 -11.588 0.575 8.538 395 HA LEU 60 HA LEU 60 -14.334 0.783 7.546 396 HB2 LEU 60 HB2 LEU 60 -11.801 0.260 5.998 397 HB3 LEU 60 HB1 LEU 60 -13.413 0.355 5.311 398 HG LEU 60 HG LEU 60 -12.006 2.638 6.706 399 HD11 LEU 60 HD11 LEU 60 -10.866 2.857 4.814 400 HD12 LEU 60 HD12 LEU 60 -12.394 3.314 4.061 401 HD13 LEU 60 HD13 LEU 60 -11.841 1.640 3.991 402 HD21 LEU 60 HD21 LEU 60 -13.860 3.881 6.439 403 HD22 LEU 60 HD22 LEU 60 -14.674 2.314 6.410 404 HD23 LEU 60 HD23 LEU 60 -14.268 3.127 4.897 405 H CYS 61 HN CYS 61 -12.321 -1.261 9.098 406 HA CYS 61 HA CYS 61 -13.965 -3.551 8.605 407 HB2 CYS 61 HB2 CYS 61 -11.983 -5.038 8.029 408 HB3 CYS 61 HB1 CYS 61 -12.544 -3.986 6.735 409 H1 ALA 62 HT1 ALA 62 31.815 2.294 9.879 410 H2 ALA 62 HT2 ALA 62 30.901 1.064 10.661 411 H3 ALA 62 HT3 ALA 62 30.155 2.550 10.233 412 HA ALA 62 HA ALA 62 30.448 2.096 7.938 413 HB1 ALA 62 HB1 ALA 62 31.126 -0.694 8.106 414 HB2 ALA 62 HB2 ALA 62 32.397 0.289 8.829 415 HB3 ALA 62 HB3 ALA 62 31.890 0.590 7.169 416 H MET 63 HN MET 63 29.827 -0.596 10.179 417 HA MET 63 HA MET 63 27.973 -1.749 10.763 418 HB2 MET 63 HB2 MET 63 26.374 0.272 9.187 419 HB3 MET 63 HB1 MET 63 25.738 -0.889 10.344 420 HG2 MET 63 HG2 MET 63 27.562 0.408 11.873 421 HG3 MET 63 HG1 MET 63 27.051 1.698 10.787 422 HE1 MET 63 HE1 MET 63 24.518 1.591 10.036 423 HE2 MET 63 HE2 MET 63 23.281 1.867 11.259 424 HE3 MET 63 HE3 MET 63 23.601 0.230 10.691 425 H GLY 64 HN GLY 64 28.040 -0.782 7.361 426 HA2 GLY 64 HA2 GLY 64 28.326 -2.542 5.704 427 HA3 GLY 64 HA1 GLY 64 27.280 -3.554 6.693 428 H LYS 65 HN LYS 65 25.346 -1.546 7.267 429 HA LYS 65 HA LYS 65 23.343 -0.806 6.499 430 HB2 LYS 65 HB2 LYS 65 25.071 -0.028 4.145 431 HB3 LYS 65 HB1 LYS 65 23.413 0.515 4.376 432 HG2 LYS 65 HG2 LYS 65 23.986 1.764 6.310 433 HG3 LYS 65 HG1 LYS 65 25.574 0.999 6.408 434 HD2 LYS 65 HD2 LYS 65 26.310 2.122 4.423 435 HD3 LYS 65 HD1 LYS 65 24.688 2.744 4.113 436 HE2 LYS 65 HE2 LYS 65 26.283 4.410 5.097 437 HE3 LYS 65 HE1 LYS 65 24.791 4.190 6.010 438 HZ1 LYS 65 HZ1 LYS 65 25.916 3.506 7.776 439 HZ2 LYS 65 HZ2 LYS 65 27.332 4.040 7.002 440 HZ3 LYS 65 HZ3 LYS 65 26.858 2.418 6.878 441 H CYS 66 HN CYS 66 22.438 -0.716 3.717 442 HA CYS 66 HA CYS 66 21.824 -3.566 3.460 443 HB2 CYS 66 HB2 CYS 66 20.309 -1.170 3.076 444 HB3 CYS 66 HB1 CYS 66 20.383 -2.035 1.544 445 H SER 67 HN SER 67 24.071 -3.837 2.680 446 HA SER 67 HA SER 67 24.619 -2.873 0.004 447 HB2 SER 67 HB2 SER 67 26.787 -4.172 0.368 448 HB3 SER 67 HB1 SER 67 26.489 -2.824 1.465 449 HG SER 67 HG SER 67 26.512 -4.176 3.058 450 H VAL 68 HN VAL 68 26.184 -5.669 -0.086 451 HA VAL 68 HA VAL 68 24.008 -6.983 -1.550 452 HB VAL 68 HB VAL 68 25.919 -6.509 -2.936 453 HG11 VAL 68 HG11 VAL 68 27.487 -7.867 -0.774 454 HG12 VAL 68 HG12 VAL 68 27.736 -6.277 -1.498 455 HG13 VAL 68 HG13 VAL 68 28.105 -7.736 -2.421 456 HG21 VAL 68 HG21 VAL 68 26.663 -9.170 -3.075 457 HG22 VAL 68 HG22 VAL 68 25.337 -8.396 -3.941 458 HG23 VAL 68 HG23 VAL 68 25.032 -9.210 -2.408 459 H LEU 69 HN LEU 69 26.549 -7.629 0.847 460 HA LEU 69 HA LEU 69 25.535 -10.315 1.244 461 HB2 LEU 69 HB2 LEU 69 27.337 -10.650 2.798 462 HB3 LEU 69 HB1 LEU 69 27.964 -9.929 1.332 463 HG LEU 69 HG LEU 69 27.382 -8.298 3.803 464 HD11 LEU 69 HD11 LEU 69 30.094 -9.323 3.042 465 HD12 LEU 69 HD12 LEU 69 29.030 -10.241 4.107 466 HD13 LEU 69 HD13 LEU 69 29.559 -8.624 4.571 467 HD21 LEU 69 HD21 LEU 69 27.724 -6.716 2.201 468 HD22 LEU 69 HD22 LEU 69 28.632 -7.817 1.159 469 HD23 LEU 69 HD23 LEU 69 29.415 -7.076 2.552 470 H LYS 70 HN LYS 70 25.586 -7.217 2.957 471 HA LYS 70 HA LYS 70 24.057 -8.366 5.130 472 HB2 LYS 70 HB2 LYS 70 25.210 -5.628 4.654 473 HB3 LYS 70 HB1 LYS 70 24.132 -5.980 5.987 474 HG2 LYS 70 HG2 LYS 70 25.832 -7.873 6.532 475 HG3 LYS 70 HG1 LYS 70 26.923 -6.929 5.519 476 HD2 LYS 70 HD2 LYS 70 27.409 -5.929 7.487 477 HD3 LYS 70 HD1 LYS 70 25.972 -4.975 7.107 478 HE2 LYS 70 HE2 LYS 70 26.118 -7.414 8.881 479 HE3 LYS 70 HE1 LYS 70 25.868 -5.752 9.400 480 HZ1 LYS 70 HZ1 LYS 70 23.838 -6.101 7.684 481 HZ2 LYS 70 HZ2 LYS 70 23.717 -6.352 9.358 482 HZ3 LYS 70 HZ3 LYS 70 23.985 -7.666 8.313 483 H LYS 71 HN LYS 71 23.038 -8.156 2.375 484 HA LYS 71 HA LYS 71 20.984 -6.175 2.346 485 HB2 LYS 71 HB2 LYS 71 21.668 -6.881 0.229 486 HB3 LYS 71 HB1 LYS 71 21.720 -8.571 0.695 487 HG2 LYS 71 HG2 LYS 71 19.071 -7.220 0.615 488 HG3 LYS 71 HG1 LYS 71 19.864 -7.609 -0.912 489 HD2 LYS 71 HD2 LYS 71 20.145 -9.924 0.596 490 HD3 LYS 71 HD1 LYS 71 18.522 -9.353 0.988 491 HE2 LYS 71 HE2 LYS 71 19.588 -9.769 -1.803 492 HE3 LYS 71 HE1 LYS 71 18.547 -10.893 -0.931 493 HZ1 LYS 71 HZ1 LYS 71 16.939 -8.974 -0.743 494 HZ2 LYS 71 HZ2 LYS 71 17.129 -9.652 -2.286 495 HZ3 LYS 71 HZ3 LYS 71 17.886 -8.181 -1.908 496 H VAL 72 HN VAL 72 21.358 -9.379 3.598 497 HA VAL 72 HA VAL 72 18.539 -9.840 3.999 498 HB VAL 72 HB VAL 72 20.731 -11.399 5.322 499 HG11 VAL 72 HG11 VAL 72 19.124 -13.277 4.833 500 HG12 VAL 72 HG12 VAL 72 17.959 -12.044 4.347 501 HG13 VAL 72 HG13 VAL 72 18.579 -12.073 5.999 502 HG21 VAL 72 HG21 VAL 72 20.209 -11.146 2.433 503 HG22 VAL 72 HG22 VAL 72 20.332 -12.797 3.036 504 HG23 VAL 72 HG23 VAL 72 21.661 -11.670 3.284 505 H ALA 73 HN ALA 73 20.473 -7.691 5.430 506 HA ALA 73 HA ALA 73 20.173 -8.199 8.214 507 HB1 ALA 73 HB1 ALA 73 20.291 -5.372 7.505 508 HB2 ALA 73 HB2 ALA 73 21.530 -6.331 6.697 509 HB3 ALA 73 HB3 ALA 73 21.411 -6.342 8.459 510 H CYS 74 HN CYS 74 17.954 -7.463 5.861 511 HA CYS 74 HA CYS 74 16.153 -5.747 7.259 512 HB2 CYS 74 HB2 CYS 74 14.536 -6.628 5.470 513 HB3 CYS 74 HB1 CYS 74 15.979 -5.791 4.891 514 H ALA 75 HN ALA 75 16.659 -9.196 7.073 515 HA ALA 75 HA ALA 75 14.177 -10.031 8.134 516 HB1 ALA 75 HB1 ALA 75 15.284 -11.709 7.011 517 HB2 ALA 75 HB2 ALA 75 15.597 -12.140 8.694 518 HB3 ALA 75 HB3 ALA 75 16.841 -11.321 7.746 519 H ALA 76 HN ALA 76 16.611 -8.330 9.653 520 HA ALA 76 HA ALA 76 16.632 -9.657 12.166 521 HB1 ALA 76 HB1 ALA 76 18.455 -8.345 12.148 522 HB2 ALA 76 HB2 ALA 76 17.356 -7.137 12.811 523 HB3 ALA 76 HB3 ALA 76 17.713 -7.146 11.084 524 H ALA 77 HN ALA 77 14.514 -7.310 10.693 525 HA ALA 77 HA ALA 77 12.958 -7.291 13.192 526 HB1 ALA 77 HB1 ALA 77 13.162 -5.102 13.364 527 HB2 ALA 77 HB2 ALA 77 12.385 -4.907 11.792 528 HB3 ALA 77 HB3 ALA 77 14.141 -5.055 11.898 529 H ILE 78 HN ILE 78 12.885 -7.337 9.670 530 HA ILE 78 HA ILE 78 10.053 -7.074 9.501 531 HB ILE 78 HB ILE 78 11.784 -6.643 7.651 532 HG12 ILE 78 HG12 ILE 78 10.020 -7.334 5.902 533 HG13 ILE 78 HG11 ILE 78 9.133 -8.000 7.269 534 HG21 ILE 78 HG21 ILE 78 12.078 -9.439 7.823 535 HG22 ILE 78 HG22 ILE 78 12.864 -8.323 6.709 536 HG23 ILE 78 HG23 ILE 78 11.331 -9.070 6.270 537 HD11 ILE 78 HD11 ILE 78 8.777 -5.915 8.224 538 HD12 ILE 78 HD12 ILE 78 8.520 -5.659 6.496 539 HD13 ILE 78 HD13 ILE 78 10.033 -5.149 7.250 540 H ALA 79 HN ALA 79 12.278 -9.737 9.659 541 HA ALA 79 HA ALA 79 10.561 -11.819 8.952 542 HB1 ALA 79 HB1 ALA 79 12.947 -11.815 10.779 543 HB2 ALA 79 HB2 ALA 79 12.876 -12.290 9.082 544 HB3 ALA 79 HB3 ALA 79 12.088 -13.281 10.308 545 H GLY 80 HN GLY 80 10.928 -10.162 12.031 546 HA2 GLY 80 HA2 GLY 80 9.320 -12.057 13.480 547 HA3 GLY 80 HA1 GLY 80 9.840 -10.476 14.053 548 H ALA 81 HN ALA 81 8.807 -9.051 11.771 549 HA ALA 81 HA ALA 81 6.192 -8.528 12.691 550 HB1 ALA 81 HB1 ALA 81 7.344 -7.682 10.045 551 HB2 ALA 81 HB2 ALA 81 7.717 -6.882 11.574 552 HB3 ALA 81 HB3 ALA 81 6.059 -6.897 10.966 553 H VAL 82 HN VAL 82 7.449 -10.685 10.307 554 HA VAL 82 HA VAL 82 5.263 -11.027 8.632 555 HB VAL 82 HB VAL 82 7.379 -13.005 9.517 556 HG11 VAL 82 HG11 VAL 82 5.099 -13.259 7.704 557 HG12 VAL 82 HG12 VAL 82 6.036 -14.493 8.544 558 HG13 VAL 82 HG13 VAL 82 6.643 -13.796 7.044 559 HG21 VAL 82 HG21 VAL 82 7.874 -12.284 6.910 560 HG22 VAL 82 HG22 VAL 82 8.711 -11.662 8.332 561 HG23 VAL 82 HG23 VAL 82 7.347 -10.773 7.650 562 H ALA 83 HN ALA 83 6.024 -12.447 11.766 563 HA ALA 83 HA ALA 83 3.570 -14.006 11.730 564 HB1 ALA 83 HB1 ALA 83 6.121 -14.224 13.083 565 HB2 ALA 83 HB2 ALA 83 4.887 -15.454 12.796 566 HB3 ALA 83 HB3 ALA 83 4.764 -14.390 14.199 567 H ALA 84 HN ALA 84 5.022 -11.245 13.325 568 HA ALA 84 HA ALA 84 3.121 -10.980 15.404 569 HB1 ALA 84 HB1 ALA 84 5.325 -9.965 15.534 570 HB2 ALA 84 HB2 ALA 84 4.059 -8.749 15.726 571 HB3 ALA 84 HB3 ALA 84 4.922 -8.890 14.191 572 H CYS 85 HN CYS 85 2.955 -10.190 12.062 573 HA CYS 85 HA CYS 85 0.754 -8.310 12.518 574 HB2 CYS 85 HB2 CYS 85 2.706 -8.703 10.386 575 HB3 CYS 85 HB1 CYS 85 1.063 -8.542 9.774 576 H GLY 86 HN GLY 86 1.083 -11.573 12.232 577 HA2 GLY 86 HA2 GLY 86 -0.385 -13.277 11.721 578 HA3 GLY 86 HA1 GLY 86 -1.659 -12.068 11.838 579 H GLY 87 HN GLY 87 1.041 -12.023 9.620 580 HA2 GLY 87 HA2 GLY 87 0.424 -13.142 7.337 581 HA3 GLY 87 HA1 GLY 87 -0.831 -11.903 7.375 582 H ILE 88 HN ILE 88 1.763 -12.384 5.740 583 HA ILE 88 HA ILE 88 3.017 -9.815 6.354 584 HB ILE 88 HB ILE 88 4.621 -11.561 6.326 585 HG12 ILE 88 HG12 ILE 88 5.982 -10.849 4.234 586 HG13 ILE 88 HG11 ILE 88 4.635 -9.741 3.950 587 HG21 ILE 88 HG21 ILE 88 4.176 -12.305 3.486 588 HG22 ILE 88 HG22 ILE 88 3.080 -12.964 4.702 589 HG23 ILE 88 HG23 ILE 88 4.815 -13.261 4.826 590 HD11 ILE 88 HD11 ILE 88 6.857 -9.408 5.657 591 HD12 ILE 88 HD12 ILE 88 5.410 -9.501 6.664 592 HD13 ILE 88 HD13 ILE 88 5.512 -8.306 5.367 593 H ASP 89 HN ASP 89 2.526 -8.126 5.227 594 HA ASP 89 HA ASP 89 1.991 -8.383 2.357 595 HB2 ASP 89 HB2 ASP 89 0.370 -6.667 4.263 596 HB3 ASP 89 HB1 ASP 89 0.242 -6.628 2.511 597 H LEU 90 HN LEU 90 1.790 -5.570 4.474 598 HA LEU 90 HA LEU 90 4.360 -4.588 4.308 599 HB2 LEU 90 HB2 LEU 90 4.122 -4.483 1.900 600 HB3 LEU 90 HB1 LEU 90 2.629 -3.576 2.048 601 HG LEU 90 HG LEU 90 3.829 -1.653 2.926 602 HD11 LEU 90 HD11 LEU 90 5.610 -2.335 4.186 603 HD12 LEU 90 HD12 LEU 90 6.444 -1.882 2.695 604 HD13 LEU 90 HD13 LEU 90 6.095 -3.581 3.031 605 HD21 LEU 90 HD21 LEU 90 3.792 -2.418 0.375 606 HD22 LEU 90 HD22 LEU 90 5.538 -2.400 0.630 607 HD23 LEU 90 HD23 LEU 90 4.593 -0.937 0.912 608 HA PRO 91 HA PRO 91 0.949 -0.910 5.040 609 HB2 PRO 91 HB2 PRO 91 -1.128 -2.535 6.227 610 HB3 PRO 91 HB1 PRO 91 -1.246 -1.377 4.904 611 HG2 PRO 91 HG2 PRO 91 -1.005 -4.297 4.809 612 HG3 PRO 91 HG1 PRO 91 -1.553 -3.175 3.553 613 HD2 PRO 91 HD2 PRO 91 0.804 -4.492 3.398 614 HD3 PRO 91 HD1 PRO 91 0.572 -2.864 2.727 615 H CYS 92 HN CYS 92 0.482 -3.764 7.186 616 HA CYS 92 HA CYS 92 0.986 -2.084 9.457 617 HB2 CYS 92 HB2 CYS 92 0.463 -4.003 10.819 618 HB3 CYS 92 HB1 CYS 92 -0.722 -3.877 9.526 619 H VAL 93 HN VAL 93 2.691 -4.535 7.685 620 HA VAL 93 HA VAL 93 4.683 -5.211 9.480 621 HB VAL 93 HB VAL 93 5.255 -5.038 6.547 622 HG11 VAL 93 HG11 VAL 93 5.675 -7.207 8.579 623 HG12 VAL 93 HG12 VAL 93 6.875 -5.989 8.152 624 HG13 VAL 93 HG13 VAL 93 6.329 -7.154 6.943 625 HG21 VAL 93 HG21 VAL 93 3.955 -7.055 6.140 626 HG22 VAL 93 HG22 VAL 93 2.906 -5.754 6.699 627 HG23 VAL 93 HG23 VAL 93 3.378 -7.042 7.806 628 H LEU 94 HN LEU 94 4.238 -2.316 7.686 629 HA LEU 94 HA LEU 94 6.885 -1.394 7.476 630 HB2 LEU 94 HB2 LEU 94 5.001 -0.394 6.272 631 HB3 LEU 94 HB1 LEU 94 4.326 0.178 7.787 632 HG LEU 94 HG LEU 94 6.564 1.450 8.054 633 HD11 LEU 94 HD11 LEU 94 7.320 0.114 5.862 634 HD12 LEU 94 HD12 LEU 94 7.950 1.708 6.290 635 HD13 LEU 94 HD13 LEU 94 6.648 1.560 5.114 636 HD21 LEU 94 HD21 LEU 94 4.736 2.808 7.815 637 HD22 LEU 94 HD22 LEU 94 4.292 2.111 6.255 638 HD23 LEU 94 HD23 LEU 94 5.661 3.213 6.370 639 H ALA 95 HN ALA 95 4.537 -1.234 10.096 640 HA ALA 95 HA ALA 95 5.792 0.687 11.709 641 HB1 ALA 95 HB1 ALA 95 3.675 -1.307 12.032 642 HB2 ALA 95 HB2 ALA 95 3.754 0.369 12.574 643 HB3 ALA 95 HB3 ALA 95 4.528 -0.903 13.518 644 H ALA 96 HN ALA 96 6.468 -2.723 11.294 645 HA ALA 96 HA ALA 96 8.358 -2.597 13.540 646 HB1 ALA 96 HB1 ALA 96 8.483 -5.165 12.938 647 HB2 ALA 96 HB2 ALA 96 6.901 -4.832 12.233 648 HB3 ALA 96 HB3 ALA 96 7.188 -4.509 13.943 649 H LEU 97 HN LEU 97 8.499 -1.758 10.511 650 HA LEU 97 HA LEU 97 10.916 -3.214 9.775 651 HB2 LEU 97 HB2 LEU 97 9.136 -2.835 8.102 652 HB3 LEU 97 HB1 LEU 97 9.380 -1.104 8.262 653 HG LEU 97 HG LEU 97 11.653 -1.341 7.371 654 HD11 LEU 97 HD11 LEU 97 11.326 -4.046 6.372 655 HD12 LEU 97 HD12 LEU 97 11.430 -3.975 8.128 656 HD13 LEU 97 HD13 LEU 97 12.719 -3.287 7.141 657 HD21 LEU 97 HD21 LEU 97 11.024 -2.011 5.067 658 HD22 LEU 97 HD22 LEU 97 9.894 -0.871 5.803 659 HD23 LEU 97 HD23 LEU 97 9.480 -2.584 5.699 660 H LYS 98 HN LYS 98 9.871 -0.099 10.927 661 HA LYS 98 HA LYS 98 12.406 1.178 10.389 662 HB2 LYS 98 HB2 LYS 98 10.307 2.492 10.380 663 HB3 LYS 98 HB1 LYS 98 10.091 2.133 12.091 664 HG2 LYS 98 HG2 LYS 98 12.314 3.246 12.482 665 HG3 LYS 98 HG1 LYS 98 12.234 3.799 10.808 666 HD2 LYS 98 HD2 LYS 98 10.145 4.960 11.272 667 HD3 LYS 98 HD1 LYS 98 10.162 4.357 12.932 668 HE2 LYS 98 HE2 LYS 98 12.279 5.553 13.312 669 HE3 LYS 98 HE1 LYS 98 12.188 6.202 11.673 670 HZ1 LYS 98 HZ1 LYS 98 11.159 7.899 12.711 671 HZ2 LYS 98 HZ2 LYS 98 10.693 6.964 14.051 672 HZ3 LYS 98 HZ3 LYS 98 9.787 6.898 12.616 673 H ALA 99 HN ALA 99 14.072 0.359 11.505 674 HA ALA 99 HA ALA 99 14.140 0.745 14.360 675 HB1 ALA 99 HB1 ALA 99 13.519 -1.342 14.886 676 HB2 ALA 99 HB2 ALA 99 15.103 -1.831 14.286 677 HB3 ALA 99 HB3 ALA 99 13.697 -1.907 13.227 678 H ALA 100 HN ALA 100 16.397 -0.442 15.085 679 HA ALA 100 HA ALA 100 18.418 0.928 13.536 680 HB1 ALA 100 HB1 ALA 100 19.912 0.410 15.307 681 HB2 ALA 100 HB2 ALA 100 18.862 -0.875 15.911 682 HB3 ALA 100 HB3 ALA 100 18.370 0.813 16.061 683 H GLU 101 HN GLU 101 16.888 -1.898 13.159 684 HA GLU 101 HA GLU 101 19.038 -3.059 11.582 685 HB2 GLU 101 HB2 GLU 101 18.441 -5.332 12.603 686 HB3 GLU 101 HB1 GLU 101 19.411 -4.245 13.590 687 HG2 GLU 101 HG2 GLU 101 17.233 -3.519 14.673 688 HG3 GLU 101 HG1 GLU 101 16.491 -4.898 13.862 689 H GLY 102 HN GLY 102 16.872 -1.727 10.589 690 HA2 GLY 102 HA2 GLY 102 14.930 -3.813 9.858 691 HA3 GLY 102 HA1 GLY 102 14.664 -2.083 9.712 692 H CYS 103 HN CYS 103 16.962 -1.312 8.359 693 HA CYS 103 HA CYS 103 17.974 -1.213 6.322 694 HB2 CYS 103 HB2 CYS 103 17.568 -3.983 6.610 695 HB3 CYS 103 HB1 CYS 103 16.998 -3.573 4.995 696 H ALA 104 HN ALA 104 14.742 -2.671 6.096 697 HA ALA 104 HA ALA 104 12.837 -2.030 5.066 698 HB1 ALA 104 HB1 ALA 104 12.494 0.105 5.472 699 HB2 ALA 104 HB2 ALA 104 13.323 0.492 3.961 700 HB3 ALA 104 HB3 ALA 104 14.232 0.430 5.474 701 H SER 105 HN SER 105 15.458 -0.666 3.036 702 HA SER 105 HA SER 105 14.240 -0.865 0.590 703 HB2 SER 105 HB2 SER 105 16.606 -1.110 -0.329 704 HB3 SER 105 HB1 SER 105 16.292 0.286 0.703 705 HG SER 105 HG SER 105 18.240 -0.810 1.247 706 H CYS 106 HN CYS 106 16.087 -3.422 2.211 707 HA CYS 106 HA CYS 106 16.187 -5.319 0.203 708 HB2 CYS 106 HB2 CYS 106 17.359 -6.063 2.013 709 HB3 CYS 106 HB1 CYS 106 16.193 -5.421 3.169 710 H PHE 107 HN PHE 107 13.584 -4.768 2.534 711 HA PHE 107 HA PHE 107 11.953 -6.876 1.511 712 HB2 PHE 107 HB2 PHE 107 11.790 -6.181 3.845 713 HB3 PHE 107 HB1 PHE 107 11.300 -4.566 3.355 714 HD1 PHE 107 HD1 PHE 107 9.073 -4.324 2.118 715 HD2 PHE 107 HD2 PHE 107 10.232 -7.853 4.188 716 HE1 PHE 107 HE1 PHE 107 6.724 -5.032 2.210 717 HE2 PHE 107 HE2 PHE 107 7.886 -8.558 4.300 718 HZ PHE 107 HZ PHE 107 6.121 -7.149 3.298 719 H CYS 108 HN CYS 108 11.487 -3.355 1.556 720 HA CYS 108 HA CYS 108 9.407 -3.490 -0.405 721 HB2 CYS 108 HB2 CYS 108 10.871 -1.066 0.621 722 HB3 CYS 108 HB1 CYS 108 9.306 -1.093 -0.184 723 H GLU 109 HN GLU 109 11.719 -4.581 -1.590 724 HA GLU 109 HA GLU 109 13.002 -2.532 -3.137 725 HB2 GLU 109 HB2 GLU 109 14.051 -4.751 -2.566 726 HB3 GLU 109 HB1 GLU 109 12.919 -5.522 -3.663 727 HG2 GLU 109 HG2 GLU 109 15.088 -5.238 -4.708 728 HG3 GLU 109 HG1 GLU 109 13.859 -4.286 -5.536 729 H ASP 110 HN ASP 110 10.645 -5.104 -3.839 730 HA ASP 110 HA ASP 110 9.849 -3.678 -6.288 731 HB2 ASP 110 HB2 ASP 110 10.478 -6.190 -6.299 732 HB3 ASP 110 HB1 ASP 110 8.939 -6.444 -5.482 733 H HIS 111 HN HIS 111 9.212 -3.376 -3.273 734 HA HIS 111 HA HIS 111 6.281 -3.265 -3.556 735 HB2 HIS 111 HB2 HIS 111 7.866 -3.637 -1.001 736 HB3 HIS 111 HB1 HIS 111 6.113 -3.626 -1.147 737 HD2 HIS 111 HD2 HIS 111 8.889 -6.147 -1.001 738 HE1 HIS 111 HE1 HIS 111 5.703 -8.078 -3.040 739 HE2 HIS 111 HE2 HIS 111 7.817 -8.407 -1.705 740 H CYS 112 HN CYS 112 7.321 -1.139 -4.564 741 HA CYS 112 HA CYS 112 7.461 0.905 -2.445 742 HB2 CYS 112 HB2 CYS 112 8.418 1.059 -5.312 743 HB3 CYS 112 HB1 CYS 112 8.569 2.338 -4.113 744 H HIS 113 HN HIS 113 4.978 0.329 -2.660 745 HA HIS 113 HA HIS 113 3.864 2.364 -4.420 746 HB2 HIS 113 HB2 HIS 113 2.107 0.888 -5.163 747 HB3 HIS 113 HB1 HIS 113 3.669 0.169 -5.521 748 HD2 HIS 113 HD2 HIS 113 0.887 -1.605 -5.163 749 HE1 HIS 113 HE1 HIS 113 2.838 -3.033 -1.670 750 HE2 HIS 113 HE2 HIS 113 1.003 -3.467 -3.352 751 H GLY 114 HN GLY 114 3.871 0.849 -1.358 752 HA2 GLY 114 HA2 GLY 114 1.418 2.339 -0.667 753 HA3 GLY 114 HA1 GLY 114 1.851 0.814 0.084 754 H VAL 115 HN VAL 115 1.876 1.530 2.135 755 HA VAL 115 HA VAL 115 2.742 3.827 3.276 756 HB VAL 115 HB VAL 115 3.219 2.477 5.332 757 HG11 VAL 115 HG11 VAL 115 0.676 1.557 4.029 758 HG12 VAL 115 HG12 VAL 115 0.911 3.220 4.564 759 HG13 VAL 115 HG13 VAL 115 0.982 1.898 5.731 760 HG21 VAL 115 HG21 VAL 115 4.063 0.437 4.789 761 HG22 VAL 115 HG22 VAL 115 3.073 0.286 3.337 762 HG23 VAL 115 HG23 VAL 115 2.362 -0.007 4.924 763 H CYS 116 HN CYS 116 4.849 1.282 2.084 764 HA CYS 116 HA CYS 116 7.135 2.072 3.558 765 HB2 CYS 116 HB2 CYS 116 6.609 -0.160 2.316 766 HB3 CYS 116 HB1 CYS 116 7.369 0.647 0.945 767 H LYS 117 HN LYS 117 6.016 2.953 0.284 768 HA LYS 117 HA LYS 117 8.444 4.410 -0.247 769 HB2 LYS 117 HB2 LYS 117 7.160 5.310 -2.245 770 HB3 LYS 117 HB1 LYS 117 7.423 3.573 -2.194 771 HG2 LYS 117 HG2 LYS 117 5.221 3.851 -2.935 772 HG3 LYS 117 HG1 LYS 117 5.077 3.388 -1.242 773 HD2 LYS 117 HD2 LYS 117 3.515 5.141 -1.621 774 HD3 LYS 117 HD1 LYS 117 4.848 5.843 -0.706 775 HE2 LYS 117 HE2 LYS 117 5.770 6.788 -2.756 776 HE3 LYS 117 HE1 LYS 117 4.480 6.045 -3.699 777 HZ1 LYS 117 HZ1 LYS 117 4.149 8.452 -3.134 778 HZ2 LYS 117 HZ2 LYS 117 3.967 7.997 -1.511 779 HZ3 LYS 117 HZ3 LYS 117 2.871 7.435 -2.674 780 H ASP 118 HN ASP 118 5.646 5.048 1.498 781 HA ASP 118 HA ASP 118 5.436 7.850 1.080 782 HB2 ASP 118 HB2 ASP 118 3.641 6.347 2.018 783 HB3 ASP 118 HB1 ASP 118 4.565 6.283 3.514 784 H LEU 119 HN LEU 119 7.209 5.832 3.357 785 HA LEU 119 HA LEU 119 8.296 8.198 4.686 786 HB2 LEU 119 HB2 LEU 119 8.658 5.260 5.281 787 HB3 LEU 119 HB1 LEU 119 9.323 6.569 6.239 788 HG LEU 119 HG LEU 119 6.385 5.980 5.850 789 HD11 LEU 119 HD11 LEU 119 8.365 5.355 7.985 790 HD12 LEU 119 HD12 LEU 119 7.047 4.377 7.347 791 HD13 LEU 119 HD13 LEU 119 6.700 5.713 8.441 792 HD21 LEU 119 HD21 LEU 119 6.361 8.248 6.160 793 HD22 LEU 119 HD22 LEU 119 7.858 8.251 7.096 794 HD23 LEU 119 HD23 LEU 119 6.354 7.699 7.836 795 H HIS 120 HN HIS 120 8.976 6.757 1.934 796 HA HIS 120 HA HIS 120 10.769 6.588 0.551 797 HB2 HIS 120 HB2 HIS 120 12.042 8.427 2.594 798 HB3 HIS 120 HB1 HIS 120 12.747 8.032 1.031 799 HD2 HIS 120 HD2 HIS 120 9.245 8.467 0.079 800 HE1 HIS 120 HE1 HIS 120 10.753 12.432 0.184 801 HE2 HIS 120 HE2 HIS 120 8.793 10.963 -0.436 802 H LEU 121 HN LEU 121 10.713 4.289 1.436 803 HA LEU 121 HA LEU 121 13.210 3.710 2.841 804 HB2 LEU 121 HB2 LEU 121 10.669 2.094 2.755 805 HB3 LEU 121 HB1 LEU 121 12.160 1.570 3.517 806 HG LEU 121 HG LEU 121 10.552 3.998 4.331 807 HD11 LEU 121 HD11 LEU 121 9.266 2.342 5.187 808 HD12 LEU 121 HD12 LEU 121 10.461 2.460 6.477 809 HD13 LEU 121 HD13 LEU 121 10.590 1.185 5.266 810 HD21 LEU 121 HD21 LEU 121 12.114 3.790 6.361 811 HD22 LEU 121 HD22 LEU 121 12.760 4.503 4.881 812 HD23 LEU 121 HD23 LEU 121 13.137 2.830 5.292 813 H CYS 122 HN CYS 122 12.110 3.789 -0.173 814 HA CYS 122 HA CYS 122 14.124 1.980 -1.107 815 HB2 CYS 122 HB2 CYS 122 12.643 0.687 -2.607 816 HB3 CYS 122 HB1 CYS 122 12.349 0.318 -0.919 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -33.129 -7.955 -3.292 2 H2 ALA 1 HT2 ALA 1 -34.149 -6.918 -4.210 3 H3 ALA 1 HT3 ALA 1 -33.300 -6.313 -2.838 4 HA ALA 1 HA ALA 1 -32.163 -7.252 -5.376 5 HB1 ALA 1 HB1 ALA 1 -31.996 -4.521 -4.103 6 HB2 ALA 1 HB2 ALA 1 -33.230 -4.958 -5.285 7 HB3 ALA 1 HB3 ALA 1 -31.527 -4.991 -5.738 8 H MET 2 HN MET 2 -29.975 -7.652 -5.362 9 HA MET 2 HA MET 2 -28.799 -8.042 -2.754 10 HB2 MET 2 HB2 MET 2 -26.919 -9.031 -3.985 11 HB3 MET 2 HB1 MET 2 -28.456 -9.700 -4.517 12 HG2 MET 2 HG2 MET 2 -28.441 -8.363 -6.487 13 HG3 MET 2 HG1 MET 2 -27.014 -7.485 -5.940 14 HE1 MET 2 HE1 MET 2 -27.690 -11.370 -5.654 15 HE2 MET 2 HE2 MET 2 -26.939 -11.966 -7.136 16 HE3 MET 2 HE3 MET 2 -28.393 -10.970 -7.222 17 H GLY 3 HN GLY 3 -26.494 -7.333 -2.424 18 HA2 GLY 3 HA2 GLY 3 -24.994 -5.472 -3.498 19 HA3 GLY 3 HA1 GLY 3 -26.357 -4.473 -3.016 20 H LYS 4 HN LYS 4 -23.811 -6.601 -1.844 21 HA LYS 4 HA LYS 4 -24.232 -6.210 0.918 22 HB2 LYS 4 HB2 LYS 4 -21.568 -6.690 -0.431 23 HB3 LYS 4 HB1 LYS 4 -21.989 -7.044 1.238 24 HG2 LYS 4 HG2 LYS 4 -23.543 -8.758 0.504 25 HG3 LYS 4 HG1 LYS 4 -23.173 -8.391 -1.183 26 HD2 LYS 4 HD2 LYS 4 -20.799 -8.971 -0.725 27 HD3 LYS 4 HD1 LYS 4 -21.278 -9.480 0.898 28 HE2 LYS 4 HE2 LYS 4 -22.771 -11.161 -0.052 29 HE3 LYS 4 HE1 LYS 4 -22.357 -10.628 -1.682 30 HZ1 LYS 4 HZ1 LYS 4 -20.433 -11.794 0.270 31 HZ2 LYS 4 HZ2 LYS 4 -20.096 -11.338 -1.329 32 HZ3 LYS 4 HZ3 LYS 4 -21.149 -12.628 -1.023 33 H CYS 5 HN CYS 5 -22.031 -4.575 -1.365 34 HA CYS 5 HA CYS 5 -21.258 -2.632 0.632 35 HB2 CYS 5 HB2 CYS 5 -20.708 -2.719 -2.341 36 HB3 CYS 5 HB1 CYS 5 -19.994 -1.575 -1.213 37 H SER 6 HN SER 6 -22.682 -2.320 -2.602 38 HA SER 6 HA SER 6 -24.731 -0.518 -1.706 39 HB2 SER 6 HB2 SER 6 -22.755 0.973 -1.798 40 HB3 SER 6 HB1 SER 6 -22.499 0.519 -3.480 41 HG SER 6 HG SER 6 -24.030 2.449 -2.532 42 H VAL 7 HN VAL 7 -25.646 0.547 -3.945 43 HA VAL 7 HA VAL 7 -26.428 -1.758 -5.475 44 HB VAL 7 HB VAL 7 -28.009 0.050 -4.804 45 HG11 VAL 7 HG11 VAL 7 -28.065 2.044 -6.398 46 HG12 VAL 7 HG12 VAL 7 -26.386 1.643 -6.752 47 HG13 VAL 7 HG13 VAL 7 -26.865 2.058 -5.104 48 HG21 VAL 7 HG21 VAL 7 -29.021 -1.221 -6.376 49 HG22 VAL 7 HG22 VAL 7 -27.728 -1.002 -7.554 50 HG23 VAL 7 HG23 VAL 7 -28.917 0.277 -7.300 51 H LEU 8 HN LEU 8 -24.225 0.919 -5.863 52 HA LEU 8 HA LEU 8 -23.784 0.234 -8.674 53 HB2 LEU 8 HB2 LEU 8 -22.272 2.171 -8.737 54 HB3 LEU 8 HB1 LEU 8 -23.893 2.608 -8.234 55 HG LEU 8 HG LEU 8 -21.806 2.103 -6.145 56 HD11 LEU 8 HD11 LEU 8 -20.858 3.633 -7.904 57 HD12 LEU 8 HD12 LEU 8 -20.979 4.324 -6.286 58 HD13 LEU 8 HD13 LEU 8 -22.164 4.756 -7.517 59 HD21 LEU 8 HD21 LEU 8 -24.453 3.357 -6.353 60 HD22 LEU 8 HD22 LEU 8 -23.274 4.280 -5.420 61 HD23 LEU 8 HD23 LEU 8 -23.658 2.619 -4.964 62 H LYS 9 HN LYS 9 -22.401 -0.109 -5.543 63 HA LYS 9 HA LYS 9 -19.896 -1.162 -6.602 64 HB2 LYS 9 HB2 LYS 9 -20.896 -0.298 -3.927 65 HB3 LYS 9 HB1 LYS 9 -19.657 -1.541 -3.968 66 HG2 LYS 9 HG2 LYS 9 -18.046 -0.118 -4.687 67 HG3 LYS 9 HG1 LYS 9 -19.177 0.854 -5.632 68 HD2 LYS 9 HD2 LYS 9 -19.365 0.907 -2.651 69 HD3 LYS 9 HD1 LYS 9 -18.063 1.803 -3.438 70 HE2 LYS 9 HE2 LYS 9 -19.706 3.004 -4.801 71 HE3 LYS 9 HE1 LYS 9 -21.007 2.106 -4.023 72 HZ1 LYS 9 HZ1 LYS 9 -20.995 3.486 -2.296 73 HZ2 LYS 9 HZ2 LYS 9 -19.990 4.509 -3.208 74 HZ3 LYS 9 HZ3 LYS 9 -19.310 3.402 -2.120 75 H LYS 10 HN LYS 10 -22.466 -2.327 -7.103 76 HA LYS 10 HA LYS 10 -22.730 -4.741 -5.565 77 HB2 LYS 10 HB2 LYS 10 -24.706 -3.649 -6.429 78 HB3 LYS 10 HB1 LYS 10 -24.062 -3.667 -8.060 79 HG2 LYS 10 HG2 LYS 10 -24.256 -6.119 -8.084 80 HG3 LYS 10 HG1 LYS 10 -24.963 -6.058 -6.467 81 HD2 LYS 10 HD2 LYS 10 -26.914 -5.080 -7.204 82 HD3 LYS 10 HD1 LYS 10 -26.149 -4.391 -8.642 83 HE2 LYS 10 HE2 LYS 10 -26.699 -7.322 -8.188 84 HE3 LYS 10 HE1 LYS 10 -27.696 -6.245 -9.163 85 HZ1 LYS 10 HZ1 LYS 10 -24.814 -6.776 -9.707 86 HZ2 LYS 10 HZ2 LYS 10 -25.908 -5.940 -10.691 87 HZ3 LYS 10 HZ3 LYS 10 -26.098 -7.606 -10.453 88 H VAL 11 HN VAL 11 -20.640 -3.737 -7.919 89 HA VAL 11 HA VAL 11 -20.494 -6.022 -9.611 90 HB VAL 11 HB VAL 11 -18.144 -4.215 -9.122 91 HG11 VAL 11 HG11 VAL 11 -18.057 -6.167 -10.711 92 HG12 VAL 11 HG12 VAL 11 -17.644 -4.599 -11.406 93 HG13 VAL 11 HG13 VAL 11 -19.232 -5.307 -11.704 94 HG21 VAL 11 HG21 VAL 11 -20.752 -3.494 -10.401 95 HG22 VAL 11 HG22 VAL 11 -19.248 -2.763 -10.960 96 HG23 VAL 11 HG23 VAL 11 -19.756 -2.561 -9.284 97 H ALA 12 HN ALA 12 -20.186 -6.178 -6.517 98 HA ALA 12 HA ALA 12 -19.203 -7.514 -4.989 99 HB1 ALA 12 HB1 ALA 12 -18.103 -9.622 -5.933 100 HB2 ALA 12 HB2 ALA 12 -18.636 -9.029 -7.506 101 HB3 ALA 12 HB3 ALA 12 -19.820 -9.367 -6.242 102 H CYS 13 HN CYS 13 -17.761 -5.308 -5.383 103 HA CYS 13 HA CYS 13 -15.755 -4.388 -4.865 104 HB2 CYS 13 HB2 CYS 13 -14.757 -7.200 -4.425 105 HB3 CYS 13 HB1 CYS 13 -14.093 -5.715 -3.749 106 H ALA 14 HN ALA 14 -16.189 -6.163 -7.594 107 HA ALA 14 HA ALA 14 -13.551 -6.504 -8.542 108 HB1 ALA 14 HB1 ALA 14 -14.862 -6.355 -10.836 109 HB2 ALA 14 HB2 ALA 14 -16.250 -6.534 -9.762 110 HB3 ALA 14 HB3 ALA 14 -14.980 -7.759 -9.778 111 H ALA 15 HN ALA 15 -15.929 -4.106 -9.716 112 HA ALA 15 HA ALA 15 -13.857 -2.494 -10.865 113 HB1 ALA 15 HB1 ALA 15 -15.888 -0.884 -11.159 114 HB2 ALA 15 HB2 ALA 15 -16.825 -2.299 -10.684 115 HB3 ALA 15 HB3 ALA 15 -15.782 -2.369 -12.105 116 H ALA 16 HN ALA 16 -13.450 -2.783 -8.079 117 HA ALA 16 HA ALA 16 -13.379 0.031 -7.327 118 HB1 ALA 16 HB1 ALA 16 -14.993 -2.022 -5.926 119 HB2 ALA 16 HB2 ALA 16 -15.250 -0.284 -6.075 120 HB3 ALA 16 HB3 ALA 16 -14.071 -0.905 -4.918 121 H ILE 17 HN ILE 17 -12.682 -3.263 -6.220 122 HA ILE 17 HA ILE 17 -10.286 -2.404 -4.862 123 HB ILE 17 HB ILE 17 -11.902 -4.883 -5.023 124 HG12 ILE 17 HG12 ILE 17 -10.421 -3.734 -2.687 125 HG13 ILE 17 HG11 ILE 17 -11.928 -3.006 -3.278 126 HG21 ILE 17 HG21 ILE 17 -9.704 -5.802 -5.540 127 HG22 ILE 17 HG22 ILE 17 -10.232 -6.247 -3.911 128 HG23 ILE 17 HG23 ILE 17 -9.028 -4.973 -4.134 129 HD11 ILE 17 HD11 ILE 17 -11.706 -5.901 -2.525 130 HD12 ILE 17 HD12 ILE 17 -13.168 -4.956 -2.812 131 HD13 ILE 17 HD13 ILE 17 -12.177 -4.634 -1.390 132 H ALA 18 HN ALA 18 -11.123 -4.427 -7.657 133 HA ALA 18 HA ALA 18 -8.392 -4.839 -8.391 134 HB1 ALA 18 HB1 ALA 18 -10.710 -5.137 -10.275 135 HB2 ALA 18 HB2 ALA 18 -10.399 -6.318 -9.003 136 HB3 ALA 18 HB3 ALA 18 -9.187 -6.024 -10.249 137 H GLY 19 HN GLY 19 -10.685 -2.350 -8.788 138 HA2 GLY 19 HA2 GLY 19 -9.452 -1.163 -11.124 139 HA3 GLY 19 HA1 GLY 19 -10.755 -0.470 -10.164 140 H ALA 20 HN ALA 20 -9.394 -0.748 -7.634 141 HA ALA 20 HA ALA 20 -8.003 1.702 -7.551 142 HB1 ALA 20 HB1 ALA 20 -8.625 -0.457 -5.641 143 HB2 ALA 20 HB2 ALA 20 -8.828 1.288 -5.491 144 HB3 ALA 20 HB3 ALA 20 -7.239 0.561 -5.247 145 H VAL 21 HN VAL 21 -6.992 -1.552 -8.098 146 HA VAL 21 HA VAL 21 -4.272 -1.330 -7.475 147 HB VAL 21 HB VAL 21 -5.623 -3.104 -9.520 148 HG11 VAL 21 HG11 VAL 21 -3.723 -4.525 -9.345 149 HG12 VAL 21 HG12 VAL 21 -3.046 -3.544 -8.045 150 HG13 VAL 21 HG13 VAL 21 -3.140 -2.895 -9.681 151 HG21 VAL 21 HG21 VAL 21 -4.880 -4.351 -7.026 152 HG22 VAL 21 HG22 VAL 21 -6.434 -4.337 -7.859 153 HG23 VAL 21 HG23 VAL 21 -6.004 -3.020 -6.767 154 H ALA 22 HN ALA 22 -6.076 -0.839 -10.495 155 HA ALA 22 HA ALA 22 -3.781 -0.177 -12.048 156 HB1 ALA 22 HB1 ALA 22 -6.011 0.962 -13.297 157 HB2 ALA 22 HB2 ALA 22 -6.610 -0.492 -12.495 158 HB3 ALA 22 HB3 ALA 22 -5.273 -0.603 -13.641 159 H ALA 23 HN ALA 23 -5.695 1.579 -9.817 160 HA ALA 23 HA ALA 23 -5.159 4.179 -10.911 161 HB1 ALA 23 HB1 ALA 23 -5.907 4.347 -8.177 162 HB2 ALA 23 HB2 ALA 23 -6.883 3.094 -8.944 163 HB3 ALA 23 HB3 ALA 23 -6.865 4.724 -9.611 164 H CYS 24 HN CYS 24 -3.983 2.327 -8.109 165 HA CYS 24 HA CYS 24 -2.007 4.390 -7.548 166 HB2 CYS 24 HB2 CYS 24 -3.284 3.066 -5.763 167 HB3 CYS 24 HB1 CYS 24 -2.224 1.721 -6.163 168 H GLY 25 HN GLY 25 -2.218 1.542 -9.411 169 HA2 GLY 25 HA2 GLY 25 -0.413 1.099 -10.971 170 HA3 GLY 25 HA1 GLY 25 0.717 1.546 -9.701 171 H GLY 26 HN GLY 26 0.347 0.139 -7.629 172 HA2 GLY 26 HA2 GLY 26 0.077 -2.669 -8.510 173 HA3 GLY 26 HA1 GLY 26 1.337 -2.145 -7.395 174 H ILE 27 HN ILE 27 -0.651 -4.174 -6.891 175 HA ILE 27 HA ILE 27 -2.552 -2.918 -5.102 176 HB ILE 27 HB ILE 27 -3.193 -4.862 -6.521 177 HG12 ILE 27 HG12 ILE 27 -4.151 -4.195 -4.138 178 HG13 ILE 27 HG11 ILE 27 -4.750 -5.598 -5.012 179 HG21 ILE 27 HG21 ILE 27 -1.917 -6.659 -6.622 180 HG22 ILE 27 HG22 ILE 27 -2.294 -7.008 -4.933 181 HG23 ILE 27 HG23 ILE 27 -0.885 -6.026 -5.338 182 HD11 ILE 27 HD11 ILE 27 -3.312 -5.418 -2.480 183 HD12 ILE 27 HD12 ILE 27 -2.707 -6.672 -3.565 184 HD13 ILE 27 HD13 ILE 27 -4.404 -6.660 -3.083 185 H ASP 28 HN ASP 28 -2.587 -3.048 -2.921 186 HA ASP 28 HA ASP 28 -0.805 -4.629 -1.371 187 HB2 ASP 28 HB2 ASP 28 0.706 -2.758 -2.157 188 HB3 ASP 28 HB1 ASP 28 -0.315 -1.649 -1.246 189 H LEU 29 HN LEU 29 -1.624 -1.426 -0.217 190 HA LEU 29 HA LEU 29 -4.264 -1.938 0.574 191 HB2 LEU 29 HB2 LEU 29 -3.279 -3.630 2.022 192 HB3 LEU 29 HB1 LEU 29 -2.239 -2.424 2.757 193 HG LEU 29 HG LEU 29 -4.143 -1.308 3.747 194 HD11 LEU 29 HD11 LEU 29 -6.089 -1.402 2.674 195 HD12 LEU 29 HD12 LEU 29 -6.299 -2.996 3.408 196 HD13 LEU 29 HD13 LEU 29 -5.611 -2.854 1.784 197 HD21 LEU 29 HD21 LEU 29 -4.558 -2.832 5.415 198 HD22 LEU 29 HD22 LEU 29 -3.115 -3.533 4.678 199 HD23 LEU 29 HD23 LEU 29 -4.711 -4.178 4.287 200 HA PRO 30 HA PRO 30 -2.486 1.858 3.238 201 HB2 PRO 30 HB2 PRO 30 -0.208 2.787 1.847 202 HB3 PRO 30 HB1 PRO 30 -0.273 2.124 3.481 203 HG2 PRO 30 HG2 PRO 30 0.463 0.797 0.926 204 HG3 PRO 30 HG1 PRO 30 1.032 0.470 2.572 205 HD2 PRO 30 HD2 PRO 30 -0.683 -1.171 1.337 206 HD3 PRO 30 HD1 PRO 30 -0.806 -0.846 3.079 207 H CYS 31 HN CYS 31 -1.295 2.130 -0.140 208 HA CYS 31 HA CYS 31 -2.694 4.592 -0.417 209 HB2 CYS 31 HB2 CYS 31 -1.741 4.777 -2.570 210 HB3 CYS 31 HB1 CYS 31 -0.518 3.982 -1.587 211 H VAL 32 HN VAL 32 -3.281 1.294 -1.344 212 HA VAL 32 HA VAL 32 -5.332 1.683 -3.199 213 HB VAL 32 HB VAL 32 -5.063 -0.656 -1.310 214 HG11 VAL 32 HG11 VAL 32 -6.309 -0.235 -3.986 215 HG12 VAL 32 HG12 VAL 32 -6.999 -0.950 -2.530 216 HG13 VAL 32 HG13 VAL 32 -5.800 -1.839 -3.467 217 HG21 VAL 32 HG21 VAL 32 -2.946 0.213 -2.692 218 HG22 VAL 32 HG22 VAL 32 -3.733 -0.736 -3.956 219 HG23 VAL 32 HG23 VAL 32 -3.277 -1.501 -2.435 220 H LEU 33 HN LEU 33 -5.237 1.817 0.250 221 HA LEU 33 HA LEU 33 -7.865 1.349 1.005 222 HB2 LEU 33 HB2 LEU 33 -5.822 1.694 2.455 223 HB3 LEU 33 HB1 LEU 33 -6.000 3.413 2.192 224 HG LEU 33 HG LEU 33 -6.868 2.450 4.388 225 HD11 LEU 33 HD11 LEU 33 -7.745 4.579 2.818 226 HD12 LEU 33 HD12 LEU 33 -7.974 4.357 4.552 227 HD13 LEU 33 HD13 LEU 33 -9.210 3.804 3.422 228 HD21 LEU 33 HD21 LEU 33 -9.322 1.747 2.847 229 HD22 LEU 33 HD22 LEU 33 -8.846 1.268 4.476 230 HD23 LEU 33 HD23 LEU 33 -8.043 0.557 3.074 231 H ALA 34 HN ALA 34 -6.346 4.269 -0.268 232 HA ALA 34 HA ALA 34 -8.370 6.128 0.182 233 HB1 ALA 34 HB1 ALA 34 -5.999 5.941 -1.494 234 HB2 ALA 34 HB2 ALA 34 -6.647 7.313 -0.592 235 HB3 ALA 34 HB3 ALA 34 -7.270 6.936 -2.201 236 H ALA 35 HN ALA 35 -7.947 3.905 -2.556 237 HA ALA 35 HA ALA 35 -10.486 4.843 -3.686 238 HB1 ALA 35 HB1 ALA 35 -8.281 3.137 -4.817 239 HB2 ALA 35 HB2 ALA 35 -8.798 4.743 -5.336 240 HB3 ALA 35 HB3 ALA 35 -9.839 3.347 -5.616 241 H LEU 36 HN LEU 36 -9.822 2.934 -1.328 242 HA LEU 36 HA LEU 36 -11.390 0.618 -2.176 243 HB2 LEU 36 HB2 LEU 36 -9.329 0.080 -1.067 244 HB3 LEU 36 HB1 LEU 36 -9.698 1.170 0.254 245 HG LEU 36 HG LEU 36 -11.513 -0.302 0.991 246 HD11 LEU 36 HD11 LEU 36 -12.236 -1.266 -1.074 247 HD12 LEU 36 HD12 LEU 36 -11.671 -2.571 -0.032 248 HD13 LEU 36 HD13 LEU 36 -10.651 -1.990 -1.350 249 HD21 LEU 36 HD21 LEU 36 -8.759 -0.813 1.118 250 HD22 LEU 36 HD22 LEU 36 -9.541 -2.371 0.853 251 HD23 LEU 36 HD23 LEU 36 -10.014 -1.367 2.225 252 H LYS 37 HN LYS 37 -11.214 2.719 0.722 253 HA LYS 37 HA LYS 37 -14.099 2.360 0.991 254 HB2 LYS 37 HB2 LYS 37 -13.738 2.941 3.368 255 HB3 LYS 37 HB1 LYS 37 -12.927 1.471 2.885 256 HG2 LYS 37 HG2 LYS 37 -11.297 2.458 4.143 257 HG3 LYS 37 HG1 LYS 37 -10.888 3.094 2.547 258 HD2 LYS 37 HD2 LYS 37 -10.812 4.892 4.148 259 HD3 LYS 37 HD1 LYS 37 -12.198 5.142 3.084 260 HE2 LYS 37 HE2 LYS 37 -13.634 4.079 4.829 261 HE3 LYS 37 HE1 LYS 37 -12.228 4.045 5.895 262 HZ1 LYS 37 HZ1 LYS 37 -12.756 6.642 4.747 263 HZ2 LYS 37 HZ2 LYS 37 -12.441 6.211 6.359 264 HZ3 LYS 37 HZ3 LYS 37 -14.012 6.068 5.736 265 H ALA 38 HN ALA 38 -15.193 4.171 2.100 266 HA ALA 38 HA ALA 38 -14.245 6.823 2.061 267 HB1 ALA 38 HB1 ALA 38 -14.641 7.522 -0.031 268 HB2 ALA 38 HB2 ALA 38 -16.313 6.985 0.088 269 HB3 ALA 38 HB3 ALA 38 -15.075 5.874 -0.493 270 H ALA 39 HN ALA 39 -17.403 6.710 0.863 271 HA ALA 39 HA ALA 39 -18.477 6.887 3.582 272 HB1 ALA 39 HB1 ALA 39 -19.599 8.570 2.577 273 HB2 ALA 39 HB2 ALA 39 -20.608 7.292 1.899 274 HB3 ALA 39 HB3 ALA 39 -19.267 7.950 0.961 275 H GLU 40 HN GLU 40 -17.942 4.574 3.777 276 HA GLU 40 HA GLU 40 -18.613 2.422 4.042 277 HB2 GLU 40 HB2 GLU 40 -21.165 3.429 2.780 278 HB3 GLU 40 HB1 GLU 40 -20.938 1.758 3.273 279 HG2 GLU 40 HG2 GLU 40 -20.639 2.429 5.568 280 HG3 GLU 40 HG1 GLU 40 -20.726 4.130 5.110 281 H GLY 41 HN GLY 41 -17.001 1.638 2.715 282 HA2 GLY 41 HA2 GLY 41 -17.766 1.200 -0.105 283 HA3 GLY 41 HA1 GLY 41 -16.110 1.418 0.436 284 H CYS 42 HN CYS 42 -16.078 -0.620 -0.971 285 HA CYS 42 HA CYS 42 -17.011 -3.035 0.311 286 HB2 CYS 42 HB2 CYS 42 -15.434 -2.470 -2.186 287 HB3 CYS 42 HB1 CYS 42 -15.667 -4.110 -1.594 288 H ALA 43 HN ALA 43 -15.613 -2.222 2.270 289 HA ALA 43 HA ALA 43 -12.844 -3.131 1.993 290 HB1 ALA 43 HB1 ALA 43 -13.382 -2.284 4.642 291 HB2 ALA 43 HB2 ALA 43 -14.118 -1.117 3.543 292 HB3 ALA 43 HB3 ALA 43 -12.398 -1.490 3.417 293 H SER 44 HN SER 44 -15.821 -4.368 2.816 294 HA SER 44 HA SER 44 -14.974 -6.097 4.956 295 HB2 SER 44 HB2 SER 44 -17.512 -6.287 3.327 296 HB3 SER 44 HB1 SER 44 -17.221 -6.924 4.947 297 HG SER 44 HG SER 44 -17.252 -4.886 5.767 298 H CYS 45 HN CYS 45 -14.810 -6.229 1.541 299 HA CYS 45 HA CYS 45 -14.667 -9.159 1.519 300 HB2 CYS 45 HB2 CYS 45 -14.468 -8.791 -0.994 301 HB3 CYS 45 HB1 CYS 45 -16.000 -8.316 -0.259 302 H PHE 46 HN PHE 46 -12.744 -6.298 1.037 303 HA PHE 46 HA PHE 46 -10.403 -7.721 0.133 304 HB2 PHE 46 HB2 PHE 46 -11.129 -5.454 -0.643 305 HB3 PHE 46 HB1 PHE 46 -10.750 -4.838 0.953 306 HD1 PHE 46 HD2 PHE 46 -8.176 -6.934 0.812 307 HD2 PHE 46 HD1 PHE 46 -9.698 -3.624 -1.373 308 HE1 PHE 46 HE2 PHE 46 -5.901 -6.383 0.058 309 HE2 PHE 46 HE1 PHE 46 -7.461 -3.075 -2.140 310 HZ PHE 46 HZ PHE 46 -5.538 -4.450 -1.415 311 H CYS 47 HN CYS 47 -11.039 -5.518 2.844 312 HA CYS 47 HA CYS 47 -8.676 -6.250 4.232 313 HB2 CYS 47 HB2 CYS 47 -11.056 -4.884 5.460 314 HB3 CYS 47 HB1 CYS 47 -9.355 -4.690 5.864 315 H GLU 48 HN GLU 48 -11.003 -8.298 3.721 316 HA GLU 48 HA GLU 48 -12.131 -9.164 6.089 317 HB2 GLU 48 HB2 GLU 48 -12.501 -10.065 3.736 318 HB3 GLU 48 HB1 GLU 48 -11.032 -10.996 3.951 319 HG2 GLU 48 HG2 GLU 48 -12.841 -12.444 4.413 320 HG3 GLU 48 HG1 GLU 48 -12.070 -12.063 5.950 321 H ASP 49 HN ASP 49 -9.398 -10.887 4.634 322 HA ASP 49 HA ASP 49 -8.474 -11.707 7.258 323 HB2 ASP 49 HB2 ASP 49 -8.532 -13.206 5.176 324 HB3 ASP 49 HB1 ASP 49 -7.146 -12.283 4.604 325 H HIS 50 HN HIS 50 -7.765 -9.430 4.777 326 HA HIS 50 HA HIS 50 -5.154 -8.717 5.829 327 HB2 HIS 50 HB2 HIS 50 -6.738 -7.234 3.723 328 HB3 HIS 50 HB1 HIS 50 -5.002 -7.190 3.995 329 HD2 HIS 50 HD2 HIS 50 -7.393 -8.781 1.628 330 HE1 HIS 50 HE1 HIS 50 -4.036 -11.389 1.722 331 HE2 HIS 50 HE2 HIS 50 -6.045 -10.630 0.396 332 H CYS 51 HN CYS 51 -6.706 -8.403 7.911 333 HA CYS 51 HA CYS 51 -7.530 -5.577 7.959 334 HB2 CYS 51 HB2 CYS 51 -9.188 -7.454 8.564 335 HB3 CYS 51 HB1 CYS 51 -8.250 -7.628 10.047 336 H HIS 52 HN HIS 52 -4.823 -6.228 8.078 337 HA HIS 52 HA HIS 52 -4.171 -5.637 10.866 338 HB2 HIS 52 HB2 HIS 52 -1.938 -6.660 10.388 339 HB3 HIS 52 HB1 HIS 52 -3.282 -7.790 10.313 340 HD2 HIS 52 HD2 HIS 52 -0.212 -7.385 8.454 341 HE1 HIS 52 HE1 HIS 52 -3.025 -8.303 5.414 342 HE2 HIS 52 HE2 HIS 52 -0.583 -8.001 5.964 343 H GLY 53 HN GLY 53 -4.158 -4.436 7.717 344 HA2 GLY 53 HA2 GLY 53 -1.917 -2.617 8.201 345 HA3 GLY 53 HA1 GLY 53 -2.772 -2.819 6.680 346 H VAL 54 HN VAL 54 -3.460 -0.795 6.213 347 HA VAL 54 HA VAL 54 -4.351 1.036 8.204 348 HB VAL 54 HB VAL 54 -3.350 2.001 6.316 349 HG11 VAL 54 HG11 VAL 54 -4.441 1.757 4.007 350 HG12 VAL 54 HG12 VAL 54 -5.196 0.312 4.685 351 HG13 VAL 54 HG13 VAL 54 -3.437 0.441 4.622 352 HG21 VAL 54 HG21 VAL 54 -4.902 3.611 5.559 353 HG22 VAL 54 HG22 VAL 54 -5.383 3.176 7.200 354 HG23 VAL 54 HG23 VAL 54 -6.264 2.524 5.818 355 H CYS 55 HN CYS 55 -5.936 -1.556 6.639 356 HA CYS 55 HA CYS 55 -8.611 -0.494 6.787 357 HB2 CYS 55 HB2 CYS 55 -7.578 -3.333 6.592 358 HB3 CYS 55 HB1 CYS 55 -9.289 -2.930 6.649 359 H LYS 56 HN LYS 56 -6.330 -1.814 8.938 360 HA LYS 56 HA LYS 56 -8.150 -2.674 10.971 361 HB2 LYS 56 HB2 LYS 56 -6.071 -3.805 10.766 362 HB3 LYS 56 HB1 LYS 56 -5.168 -2.297 10.753 363 HG2 LYS 56 HG2 LYS 56 -4.823 -3.342 12.834 364 HG3 LYS 56 HG1 LYS 56 -5.863 -1.946 13.096 365 HD2 LYS 56 HD2 LYS 56 -7.817 -3.348 13.231 366 HD3 LYS 56 HD1 LYS 56 -6.868 -4.776 12.794 367 HE2 LYS 56 HE2 LYS 56 -6.580 -3.127 15.308 368 HE3 LYS 56 HE1 LYS 56 -7.320 -4.723 15.184 369 HZ1 LYS 56 HZ1 LYS 56 -4.493 -4.211 14.440 370 HZ2 LYS 56 HZ2 LYS 56 -5.252 -5.709 14.694 371 HZ3 LYS 56 HZ3 LYS 56 -4.968 -4.668 15.998 372 H ASP 57 HN ASP 57 -6.694 0.275 9.988 373 HA ASP 57 HA ASP 57 -6.530 1.681 12.404 374 HB2 ASP 57 HB2 ASP 57 -5.513 2.504 10.347 375 HB3 ASP 57 HB1 ASP 57 -7.095 2.699 9.607 376 H LEU 58 HN LEU 58 -9.201 1.499 10.043 377 HA LEU 58 HA LEU 58 -10.990 2.892 11.863 378 HB2 LEU 58 HB2 LEU 58 -11.003 3.004 9.265 379 HB3 LEU 58 HB1 LEU 58 -11.813 1.453 9.345 380 HG LEU 58 HG LEU 58 -12.930 3.849 10.788 381 HD11 LEU 58 HD11 LEU 58 -14.400 4.142 8.790 382 HD12 LEU 58 HD12 LEU 58 -13.320 3.066 7.908 383 HD13 LEU 58 HD13 LEU 58 -12.712 4.599 8.530 384 HD21 LEU 58 HD21 LEU 58 -13.708 1.404 11.124 385 HD22 LEU 58 HD22 LEU 58 -14.448 1.594 9.534 386 HD23 LEU 58 HD23 LEU 58 -14.919 2.656 10.860 387 H HIS 59 HN HIS 59 -10.132 -0.291 10.869 388 HA HIS 59 HA HIS 59 -10.595 -2.369 11.602 389 HB2 HIS 59 HB2 HIS 59 -10.280 -1.129 13.853 390 HB3 HIS 59 HB1 HIS 59 -12.032 -1.237 13.988 391 HD2 HIS 59 HD2 HIS 59 -11.005 -4.455 12.416 392 HE1 HIS 59 HE1 HIS 59 -10.756 -5.154 16.593 393 HE2 HIS 59 HE2 HIS 59 -10.751 -6.211 14.298 394 H LEU 60 HN LEU 60 -12.172 -1.763 9.671 395 HA LEU 60 HA LEU 60 -14.925 -2.280 10.472 396 HB2 LEU 60 HB2 LEU 60 -15.172 -1.863 7.865 397 HB3 LEU 60 HB1 LEU 60 -15.136 -0.546 9.019 398 HG LEU 60 HG LEU 60 -12.702 -0.259 8.530 399 HD11 LEU 60 HD11 LEU 60 -13.177 -2.682 6.984 400 HD12 LEU 60 HD12 LEU 60 -11.666 -1.996 7.580 401 HD13 LEU 60 HD13 LEU 60 -12.360 -1.417 6.066 402 HD21 LEU 60 HD21 LEU 60 -14.883 0.603 7.096 403 HD22 LEU 60 HD22 LEU 60 -13.795 -0.010 5.848 404 HD23 LEU 60 HD23 LEU 60 -13.240 1.233 6.971 405 H CYS 61 HN CYS 61 -12.603 -4.189 10.301 406 HA CYS 61 HA CYS 61 -13.972 -6.243 8.727 407 HB2 CYS 61 HB2 CYS 61 -11.477 -7.021 8.274 408 HB3 CYS 61 HB1 CYS 61 -12.291 -5.881 7.204 409 H1 ALA 62 HT1 ALA 62 32.462 -4.952 3.573 410 H2 ALA 62 HT2 ALA 62 32.951 -5.750 5.015 411 H3 ALA 62 HT3 ALA 62 33.044 -4.037 4.905 412 HA ALA 62 HA ALA 62 31.100 -5.291 6.094 413 HB1 ALA 62 HB1 ALA 62 30.706 -2.819 4.409 414 HB2 ALA 62 HB2 ALA 62 31.513 -2.847 5.977 415 HB3 ALA 62 HB3 ALA 62 29.804 -3.273 5.854 416 H MET 63 HN MET 63 28.634 -4.449 5.053 417 HA MET 63 HA MET 63 28.282 -6.028 2.609 418 HB2 MET 63 HB2 MET 63 26.139 -6.946 3.713 419 HB3 MET 63 HB1 MET 63 27.679 -7.659 4.169 420 HG2 MET 63 HG2 MET 63 27.644 -6.009 6.130 421 HG3 MET 63 HG1 MET 63 25.939 -5.795 5.740 422 HE1 MET 63 HE1 MET 63 27.996 -9.375 5.588 423 HE2 MET 63 HE2 MET 63 27.996 -9.553 7.342 424 HE3 MET 63 HE3 MET 63 28.752 -8.144 6.599 425 H GLY 64 HN GLY 64 26.951 -5.087 1.169 426 HA2 GLY 64 HA2 GLY 64 25.721 -2.561 1.998 427 HA3 GLY 64 HA1 GLY 64 26.103 -3.026 0.354 428 H LYS 65 HN LYS 65 24.137 -4.593 2.896 429 HA LYS 65 HA LYS 65 21.820 -4.263 1.129 430 HB2 LYS 65 HB2 LYS 65 22.552 -6.861 2.502 431 HB3 LYS 65 HB1 LYS 65 21.058 -6.561 1.622 432 HG2 LYS 65 HG2 LYS 65 23.054 -5.872 -0.177 433 HG3 LYS 65 HG1 LYS 65 23.672 -7.311 0.632 434 HD2 LYS 65 HD2 LYS 65 20.897 -7.165 -0.526 435 HD3 LYS 65 HD1 LYS 65 22.295 -7.669 -1.480 436 HE2 LYS 65 HE2 LYS 65 22.681 -9.360 0.451 437 HE3 LYS 65 HE1 LYS 65 21.001 -9.027 0.865 438 HZ1 LYS 65 HZ1 LYS 65 21.852 -9.878 -1.851 439 HZ2 LYS 65 HZ2 LYS 65 20.276 -9.814 -1.235 440 HZ3 LYS 65 HZ3 LYS 65 21.367 -10.973 -0.647 441 H CYS 66 HN CYS 66 23.082 -4.840 4.343 442 HA CYS 66 HA CYS 66 20.887 -3.352 5.485 443 HB2 CYS 66 HB2 CYS 66 21.262 -6.287 5.961 444 HB3 CYS 66 HB1 CYS 66 20.678 -5.269 7.271 445 H SER 67 HN SER 67 22.390 -5.473 7.672 446 HA SER 67 HA SER 67 24.605 -3.662 8.237 447 HB2 SER 67 HB2 SER 67 22.684 -2.855 9.602 448 HB3 SER 67 HB1 SER 67 22.564 -4.450 10.343 449 HG SER 67 HG SER 67 24.232 -2.389 10.933 450 H VAL 68 HN VAL 68 25.757 -4.705 10.350 451 HA VAL 68 HA VAL 68 26.679 -7.239 9.459 452 HB VAL 68 HB VAL 68 28.142 -5.623 10.610 453 HG11 VAL 68 HG11 VAL 68 27.985 -5.659 13.181 454 HG12 VAL 68 HG12 VAL 68 26.310 -6.147 12.915 455 HG13 VAL 68 HG13 VAL 68 26.892 -4.610 12.277 456 HG21 VAL 68 HG21 VAL 68 27.842 -8.392 11.681 457 HG22 VAL 68 HG22 VAL 68 29.071 -7.319 12.350 458 HG23 VAL 68 HG23 VAL 68 29.091 -7.719 10.632 459 H LEU 69 HN LEU 69 24.245 -6.277 11.772 460 HA LEU 69 HA LEU 69 23.993 -9.065 12.666 461 HB2 LEU 69 HB2 LEU 69 22.427 -8.230 14.360 462 HB3 LEU 69 HB1 LEU 69 23.988 -7.447 14.488 463 HG LEU 69 HG LEU 69 21.725 -6.123 13.015 464 HD11 LEU 69 HD11 LEU 69 22.125 -5.259 15.770 465 HD12 LEU 69 HD12 LEU 69 21.482 -6.896 15.628 466 HD13 LEU 69 HD13 LEU 69 20.637 -5.547 14.869 467 HD21 LEU 69 HD21 LEU 69 23.319 -4.339 14.511 468 HD22 LEU 69 HD22 LEU 69 23.236 -4.510 12.758 469 HD23 LEU 69 HD23 LEU 69 24.418 -5.439 13.681 470 H LYS 70 HN LYS 70 22.545 -6.635 10.739 471 HA LYS 70 HA LYS 70 20.088 -8.114 10.337 472 HB2 LYS 70 HB2 LYS 70 21.158 -5.599 9.031 473 HB3 LYS 70 HB1 LYS 70 19.547 -6.246 8.831 474 HG2 LYS 70 HG2 LYS 70 20.495 -5.575 11.574 475 HG3 LYS 70 HG1 LYS 70 19.998 -4.277 10.489 476 HD2 LYS 70 HD2 LYS 70 17.815 -5.412 10.195 477 HD3 LYS 70 HD1 LYS 70 18.328 -6.633 11.366 478 HE2 LYS 70 HE2 LYS 70 16.898 -4.837 12.338 479 HE3 LYS 70 HE1 LYS 70 18.474 -4.999 13.110 480 HZ1 LYS 70 HZ1 LYS 70 18.974 -2.913 12.599 481 HZ2 LYS 70 HZ2 LYS 70 17.372 -2.699 12.083 482 HZ3 LYS 70 HZ3 LYS 70 18.571 -3.124 10.964 483 H LYS 71 HN LYS 71 22.871 -9.045 9.675 484 HA LYS 71 HA LYS 71 23.258 -9.103 6.883 485 HB2 LYS 71 HB2 LYS 71 24.920 -10.816 7.342 486 HB3 LYS 71 HB1 LYS 71 25.055 -9.513 8.521 487 HG2 LYS 71 HG2 LYS 71 23.730 -10.927 10.109 488 HG3 LYS 71 HG1 LYS 71 23.830 -12.241 8.938 489 HD2 LYS 71 HD2 LYS 71 26.212 -10.849 10.158 490 HD3 LYS 71 HD1 LYS 71 25.531 -12.364 10.747 491 HE2 LYS 71 HE2 LYS 71 26.602 -11.929 7.960 492 HE3 LYS 71 HE1 LYS 71 27.508 -12.665 9.283 493 HZ1 LYS 71 HZ1 LYS 71 25.838 -13.953 7.499 494 HZ2 LYS 71 HZ2 LYS 71 24.991 -13.941 8.963 495 HZ3 LYS 71 HZ3 LYS 71 26.543 -14.614 8.895 496 H VAL 72 HN VAL 72 20.912 -10.534 8.712 497 HA VAL 72 HA VAL 72 20.689 -13.085 7.451 498 HB VAL 72 HB VAL 72 18.371 -11.659 8.740 499 HG11 VAL 72 HG11 VAL 72 17.408 -13.671 8.823 500 HG12 VAL 72 HG12 VAL 72 18.866 -14.427 9.460 501 HG13 VAL 72 HG13 VAL 72 18.675 -14.214 7.720 502 HG21 VAL 72 HG21 VAL 72 19.674 -13.143 10.734 503 HG22 VAL 72 HG22 VAL 72 19.497 -11.392 10.638 504 HG23 VAL 72 HG23 VAL 72 20.925 -12.173 9.956 505 H ALA 73 HN ALA 73 20.598 -10.366 5.869 506 HA ALA 73 HA ALA 73 19.756 -9.624 3.902 507 HB1 ALA 73 HB1 ALA 73 20.227 -11.854 3.114 508 HB2 ALA 73 HB2 ALA 73 18.737 -11.255 2.382 509 HB3 ALA 73 HB3 ALA 73 18.666 -12.422 3.706 510 H CYS 74 HN CYS 74 18.506 -8.390 5.512 511 HA CYS 74 HA CYS 74 16.686 -7.354 6.280 512 HB2 CYS 74 HB2 CYS 74 14.756 -7.056 4.689 513 HB3 CYS 74 HB1 CYS 74 16.331 -6.511 4.131 514 H ALA 75 HN ALA 75 16.728 -10.501 6.433 515 HA ALA 75 HA ALA 75 13.929 -10.953 7.016 516 HB1 ALA 75 HB1 ALA 75 15.159 -13.230 7.829 517 HB2 ALA 75 HB2 ALA 75 16.281 -12.658 6.592 518 HB3 ALA 75 HB3 ALA 75 14.586 -12.937 6.186 519 H ALA 76 HN ALA 76 16.447 -9.575 8.605 520 HA ALA 76 HA ALA 76 15.713 -10.631 11.242 521 HB1 ALA 76 HB1 ALA 76 17.679 -8.894 11.798 522 HB2 ALA 76 HB2 ALA 76 18.094 -9.272 10.127 523 HB3 ALA 76 HB3 ALA 76 17.976 -10.565 11.322 524 H ALA 77 HN ALA 77 14.086 -8.743 9.551 525 HA ALA 77 HA ALA 77 13.260 -7.002 11.671 526 HB1 ALA 77 HB1 ALA 77 14.919 -5.493 11.038 527 HB2 ALA 77 HB2 ALA 77 13.512 -4.929 10.138 528 HB3 ALA 77 HB3 ALA 77 14.756 -5.875 9.323 529 H ILE 78 HN ILE 78 13.135 -7.867 8.276 530 HA ILE 78 HA ILE 78 10.455 -6.873 7.959 531 HB ILE 78 HB ILE 78 12.602 -7.877 6.231 532 HG12 ILE 78 HG12 ILE 78 10.343 -5.990 5.586 533 HG13 ILE 78 HG11 ILE 78 11.751 -5.508 6.552 534 HG21 ILE 78 HG21 ILE 78 11.077 -9.590 5.586 535 HG22 ILE 78 HG22 ILE 78 11.097 -8.363 4.320 536 HG23 ILE 78 HG23 ILE 78 9.746 -8.438 5.459 537 HD11 ILE 78 HD11 ILE 78 11.926 -4.940 4.158 538 HD12 ILE 78 HD12 ILE 78 11.910 -6.663 3.789 539 HD13 ILE 78 HD13 ILE 78 13.229 -5.978 4.736 540 H ALA 79 HN ALA 79 12.049 -10.048 8.047 541 HA ALA 79 HA ALA 79 9.650 -11.519 7.768 542 HB1 ALA 79 HB1 ALA 79 11.911 -12.438 7.300 543 HB2 ALA 79 HB2 ALA 79 10.930 -13.461 8.351 544 HB3 ALA 79 HB3 ALA 79 12.213 -12.464 9.040 545 H GLY 80 HN GLY 80 11.297 -10.075 10.472 546 HA2 GLY 80 HA2 GLY 80 9.803 -11.512 12.472 547 HA3 GLY 80 HA1 GLY 80 10.881 -10.150 12.752 548 H ALA 81 HN ALA 81 9.586 -8.374 10.875 549 HA ALA 81 HA ALA 81 7.567 -7.347 12.580 550 HB1 ALA 81 HB1 ALA 81 7.318 -5.570 10.995 551 HB2 ALA 81 HB2 ALA 81 8.137 -6.508 9.749 552 HB3 ALA 81 HB3 ALA 81 9.038 -5.936 11.153 553 H VAL 82 HN VAL 82 7.580 -9.444 9.839 554 HA VAL 82 HA VAL 82 4.886 -9.153 9.072 555 HB VAL 82 HB VAL 82 6.931 -11.338 8.703 556 HG11 VAL 82 HG11 VAL 82 4.845 -11.780 6.897 557 HG12 VAL 82 HG12 VAL 82 4.084 -11.609 8.477 558 HG13 VAL 82 HG13 VAL 82 5.347 -12.816 8.231 559 HG21 VAL 82 HG21 VAL 82 6.383 -8.933 7.383 560 HG22 VAL 82 HG22 VAL 82 5.794 -10.212 6.320 561 HG23 VAL 82 HG23 VAL 82 7.470 -10.223 6.864 562 H ALA 83 HN ALA 83 6.580 -11.291 11.323 563 HA ALA 83 HA ALA 83 4.324 -12.833 12.058 564 HB1 ALA 83 HB1 ALA 83 7.095 -12.634 12.819 565 HB2 ALA 83 HB2 ALA 83 5.995 -14.008 12.928 566 HB3 ALA 83 HB3 ALA 83 6.066 -12.827 14.238 567 H ALA 84 HN ALA 84 5.519 -9.732 13.041 568 HA ALA 84 HA ALA 84 4.046 -9.551 15.477 569 HB1 ALA 84 HB1 ALA 84 4.594 -7.059 15.190 570 HB2 ALA 84 HB2 ALA 84 5.561 -7.577 13.810 571 HB3 ALA 84 HB3 ALA 84 5.928 -8.187 15.427 572 H CYS 85 HN CYS 85 3.560 -8.298 12.180 573 HA CYS 85 HA CYS 85 1.030 -7.102 12.931 574 HB2 CYS 85 HB2 CYS 85 2.293 -7.423 10.199 575 HB3 CYS 85 HB1 CYS 85 0.864 -6.462 10.562 576 H GLY 86 HN GLY 86 2.090 -10.173 12.041 577 HA2 GLY 86 HA2 GLY 86 0.819 -12.110 11.863 578 HA3 GLY 86 HA1 GLY 86 -0.627 -11.117 11.890 579 H GLY 87 HN GLY 87 2.117 -10.978 9.644 580 HA2 GLY 87 HA2 GLY 87 1.699 -12.326 7.514 581 HA3 GLY 87 HA1 GLY 87 0.180 -11.445 7.469 582 H ILE 88 HN ILE 88 1.543 -11.172 5.283 583 HA ILE 88 HA ILE 88 3.473 -9.040 5.355 584 HB ILE 88 HB ILE 88 3.608 -10.728 3.588 585 HG12 ILE 88 HG12 ILE 88 3.736 -9.239 1.611 586 HG13 ILE 88 HG11 ILE 88 2.893 -7.988 2.524 587 HG21 ILE 88 HG21 ILE 88 1.561 -9.990 1.804 588 HG22 ILE 88 HG22 ILE 88 0.806 -10.278 3.373 589 HG23 ILE 88 HG23 ILE 88 1.795 -11.534 2.627 590 HD11 ILE 88 HD11 ILE 88 5.004 -7.310 2.897 591 HD12 ILE 88 HD12 ILE 88 5.679 -8.928 2.711 592 HD13 ILE 88 HD13 ILE 88 4.883 -8.472 4.218 593 H ASP 89 HN ASP 89 3.211 -6.977 5.149 594 HA ASP 89 HA ASP 89 0.723 -5.841 4.211 595 HB2 ASP 89 HB2 ASP 89 0.383 -6.385 6.639 596 HB3 ASP 89 HB1 ASP 89 1.724 -5.318 7.027 597 H LEU 90 HN LEU 90 1.760 -3.521 5.987 598 HA LEU 90 HA LEU 90 4.247 -2.639 5.168 599 HB2 LEU 90 HB2 LEU 90 3.280 -2.614 2.890 600 HB3 LEU 90 HB1 LEU 90 2.067 -1.471 3.432 601 HG LEU 90 HG LEU 90 3.778 0.203 3.862 602 HD11 LEU 90 HD11 LEU 90 5.773 -0.640 4.482 603 HD12 LEU 90 HD12 LEU 90 6.103 -0.658 2.746 604 HD13 LEU 90 HD13 LEU 90 5.538 -2.121 3.550 605 HD21 LEU 90 HD21 LEU 90 3.643 0.825 1.732 606 HD22 LEU 90 HD22 LEU 90 3.032 -0.785 1.349 607 HD23 LEU 90 HD23 LEU 90 4.761 -0.447 1.240 608 HA PRO 91 HA PRO 91 1.561 1.206 6.804 609 HB2 PRO 91 HB2 PRO 91 -0.763 -0.423 7.721 610 HB3 PRO 91 HB1 PRO 91 -0.719 1.240 7.123 611 HG2 PRO 91 HG2 PRO 91 -1.601 -0.720 5.567 612 HG3 PRO 91 HG1 PRO 91 -0.587 0.575 4.899 613 HD2 PRO 91 HD2 PRO 91 0.130 -2.244 5.581 614 HD3 PRO 91 HD1 PRO 91 0.694 -1.229 4.238 615 H CYS 92 HN CYS 92 1.180 -2.035 8.191 616 HA CYS 92 HA CYS 92 1.693 -1.049 10.858 617 HB2 CYS 92 HB2 CYS 92 0.011 -2.714 10.773 618 HB3 CYS 92 HB1 CYS 92 0.981 -3.754 9.737 619 H VAL 93 HN VAL 93 3.281 -3.075 8.445 620 HA VAL 93 HA VAL 93 5.461 -3.894 10.016 621 HB VAL 93 HB VAL 93 5.465 -3.580 7.013 622 HG11 VAL 93 HG11 VAL 93 6.618 -5.902 8.412 623 HG12 VAL 93 HG12 VAL 93 7.448 -4.358 8.603 624 HG13 VAL 93 HG13 VAL 93 7.194 -5.027 6.992 625 HG21 VAL 93 HG21 VAL 93 4.720 -6.210 7.793 626 HG22 VAL 93 HG22 VAL 93 3.805 -5.051 6.824 627 HG23 VAL 93 HG23 VAL 93 3.625 -5.073 8.578 628 H LEU 94 HN LEU 94 4.766 -0.960 8.354 629 HA LEU 94 HA LEU 94 7.206 0.110 7.703 630 HB2 LEU 94 HB2 LEU 94 4.882 1.054 7.350 631 HB3 LEU 94 HB1 LEU 94 4.961 1.660 8.989 632 HG LEU 94 HG LEU 94 5.471 3.269 7.061 633 HD11 LEU 94 HD11 LEU 94 7.753 3.421 8.896 634 HD12 LEU 94 HD12 LEU 94 6.170 3.297 9.659 635 HD13 LEU 94 HD13 LEU 94 6.497 4.609 8.530 636 HD21 LEU 94 HD21 LEU 94 8.293 2.596 7.153 637 HD22 LEU 94 HD22 LEU 94 7.269 3.014 5.782 638 HD23 LEU 94 HD23 LEU 94 7.312 1.353 6.371 639 H ALA 95 HN ALA 95 5.693 -0.019 10.881 640 HA ALA 95 HA ALA 95 7.111 1.685 12.422 641 HB1 ALA 95 HB1 ALA 95 5.802 -0.890 12.906 642 HB2 ALA 95 HB2 ALA 95 5.658 0.643 13.768 643 HB3 ALA 95 HB3 ALA 95 7.008 -0.438 14.109 644 H ALA 96 HN ALA 96 8.242 -1.634 11.681 645 HA ALA 96 HA ALA 96 10.906 -0.824 12.648 646 HB1 ALA 96 HB1 ALA 96 11.222 -2.893 13.484 647 HB2 ALA 96 HB2 ALA 96 10.403 -3.679 12.135 648 HB3 ALA 96 HB3 ALA 96 9.460 -2.963 13.443 649 H LEU 97 HN LEU 97 9.606 -0.417 9.958 650 HA LEU 97 HA LEU 97 11.456 -1.941 8.261 651 HB2 LEU 97 HB2 LEU 97 8.991 -2.011 7.823 652 HB3 LEU 97 HB1 LEU 97 9.058 -0.294 7.469 653 HG LEU 97 HG LEU 97 10.599 -0.760 5.593 654 HD11 LEU 97 HD11 LEU 97 11.700 -2.723 6.076 655 HD12 LEU 97 HD12 LEU 97 10.528 -3.245 4.866 656 HD13 LEU 97 HD13 LEU 97 10.227 -3.555 6.578 657 HD21 LEU 97 HD21 LEU 97 8.532 -0.561 4.698 658 HD22 LEU 97 HD22 LEU 97 7.833 -1.772 5.773 659 HD23 LEU 97 HD23 LEU 97 8.767 -2.278 4.367 660 H LYS 98 HN LYS 98 10.176 1.345 8.704 661 HA LYS 98 HA LYS 98 11.861 2.630 6.875 662 HB2 LYS 98 HB2 LYS 98 11.214 4.682 8.199 663 HB3 LYS 98 HB1 LYS 98 9.887 3.734 7.554 664 HG2 LYS 98 HG2 LYS 98 9.030 3.840 9.609 665 HG3 LYS 98 HG1 LYS 98 10.242 2.634 10.039 666 HD2 LYS 98 HD2 LYS 98 10.503 4.301 11.656 667 HD3 LYS 98 HD1 LYS 98 11.785 4.638 10.489 668 HE2 LYS 98 HE2 LYS 98 10.404 6.350 9.440 669 HE3 LYS 98 HE1 LYS 98 9.088 5.994 10.558 670 HZ1 LYS 98 HZ1 LYS 98 10.896 7.913 10.939 671 HZ2 LYS 98 HZ2 LYS 98 11.626 6.645 11.802 672 HZ3 LYS 98 HZ3 LYS 98 10.059 7.146 12.198 673 H ALA 99 HN ALA 99 12.523 1.459 10.031 674 HA ALA 99 HA ALA 99 14.664 3.289 10.596 675 HB1 ALA 99 HB1 ALA 99 14.402 0.675 11.999 676 HB2 ALA 99 HB2 ALA 99 13.164 1.910 12.237 677 HB3 ALA 99 HB3 ALA 99 14.846 2.260 12.635 678 H ALA 100 HN ALA 100 14.380 0.261 8.921 679 HA ALA 100 HA ALA 100 17.312 0.001 8.926 680 HB1 ALA 100 HB1 ALA 100 15.616 -1.894 9.644 681 HB2 ALA 100 HB2 ALA 100 17.117 -2.261 8.793 682 HB3 ALA 100 HB3 ALA 100 15.593 -2.191 7.907 683 H GLU 101 HN GLU 101 17.855 1.404 7.270 684 HA GLU 101 HA GLU 101 16.580 1.452 4.734 685 HB2 GLU 101 HB2 GLU 101 19.404 2.287 5.430 686 HB3 GLU 101 HB1 GLU 101 18.505 2.760 3.993 687 HG2 GLU 101 HG2 GLU 101 17.747 4.525 5.079 688 HG3 GLU 101 HG1 GLU 101 16.929 3.461 6.221 689 H GLY 102 HN GLY 102 17.288 0.545 2.748 690 HA2 GLY 102 HA2 GLY 102 18.464 -0.961 1.396 691 HA3 GLY 102 HA1 GLY 102 19.462 -1.387 2.786 692 H CYS 103 HN CYS 103 17.612 -2.099 4.643 693 HA CYS 103 HA CYS 103 16.903 -4.729 3.851 694 HB2 CYS 103 HB2 CYS 103 15.895 -3.157 6.238 695 HB3 CYS 103 HB1 CYS 103 15.854 -4.904 6.047 696 H ALA 104 HN ALA 104 15.089 -1.745 4.422 697 HA ALA 104 HA ALA 104 12.524 -2.795 3.847 698 HB1 ALA 104 HB1 ALA 104 11.925 -0.808 4.626 699 HB2 ALA 104 HB2 ALA 104 12.629 -0.022 3.214 700 HB3 ALA 104 HB3 ALA 104 13.619 -0.310 4.644 701 H SER 105 HN SER 105 15.151 -1.993 1.842 702 HA SER 105 HA SER 105 13.696 -1.232 -0.480 703 HB2 SER 105 HB2 SER 105 16.514 -2.302 -0.267 704 HB3 SER 105 HB1 SER 105 15.827 -1.415 -1.630 705 HG SER 105 HG SER 105 16.343 0.344 -0.622 706 H CYS 106 HN CYS 106 15.009 -4.324 0.697 707 HA CYS 106 HA CYS 106 14.491 -5.818 -1.656 708 HB2 CYS 106 HB2 CYS 106 14.868 -7.768 -0.357 709 HB3 CYS 106 HB1 CYS 106 15.891 -6.541 0.374 710 H PHE 107 HN PHE 107 12.569 -4.640 0.870 711 HA PHE 107 HA PHE 107 10.272 -6.334 0.387 712 HB2 PHE 107 HB2 PHE 107 11.029 -5.587 2.635 713 HB3 PHE 107 HB1 PHE 107 10.648 -3.937 2.182 714 HD1 PHE 107 HD2 PHE 107 8.011 -5.273 0.674 715 HD2 PHE 107 HD1 PHE 107 9.660 -5.073 4.584 716 HE1 PHE 107 HE2 PHE 107 5.763 -5.533 1.638 717 HE2 PHE 107 HE1 PHE 107 7.443 -5.337 5.553 718 HZ PHE 107 HZ PHE 107 5.481 -5.565 4.080 719 H CYS 108 HN CYS 108 10.557 -2.806 0.675 720 HA CYS 108 HA CYS 108 8.222 -2.338 -0.886 721 HB2 CYS 108 HB2 CYS 108 10.348 -0.429 0.080 722 HB3 CYS 108 HB1 CYS 108 8.785 0.036 -0.582 723 H GLU 109 HN GLU 109 10.434 -3.692 -2.326 724 HA GLU 109 HA GLU 109 11.786 -2.060 -4.109 725 HB2 GLU 109 HB2 GLU 109 12.006 -4.564 -3.777 726 HB3 GLU 109 HB1 GLU 109 10.551 -4.757 -4.736 727 HG2 GLU 109 HG2 GLU 109 12.483 -5.182 -6.096 728 HG3 GLU 109 HG1 GLU 109 11.673 -3.717 -6.648 729 H ASP 110 HN ASP 110 8.871 -3.918 -4.961 730 HA ASP 110 HA ASP 110 8.183 -1.932 -6.987 731 HB2 ASP 110 HB2 ASP 110 8.076 -4.348 -7.551 732 HB3 ASP 110 HB1 ASP 110 6.861 -4.575 -6.299 733 H HIS 111 HN HIS 111 7.101 -3.236 -3.941 734 HA HIS 111 HA HIS 111 4.630 -1.747 -3.862 735 HB2 HIS 111 HB2 HIS 111 5.830 -2.797 -1.348 736 HB3 HIS 111 HB1 HIS 111 4.169 -2.876 -1.912 737 HD2 HIS 111 HD2 HIS 111 6.975 -5.217 -1.290 738 HE1 HIS 111 HE1 HIS 111 4.694 -7.061 -4.361 739 HE2 HIS 111 HE2 HIS 111 6.331 -7.432 -2.475 740 H CYS 112 HN CYS 112 5.878 0.321 -4.353 741 HA CYS 112 HA CYS 112 6.757 1.515 -1.807 742 HB2 CYS 112 HB2 CYS 112 8.622 1.032 -3.463 743 HB3 CYS 112 HB1 CYS 112 7.890 2.244 -4.509 744 H HIS 113 HN HIS 113 4.179 1.779 -2.288 745 HA HIS 113 HA HIS 113 3.928 4.516 -3.280 746 HB2 HIS 113 HB2 HIS 113 1.594 3.892 -4.052 747 HB3 HIS 113 HB1 HIS 113 2.928 3.262 -5.007 748 HD2 HIS 113 HD2 HIS 113 1.398 1.104 -5.899 749 HE1 HIS 113 HE1 HIS 113 0.882 -0.698 -2.092 750 HE2 HIS 113 HE2 HIS 113 0.401 -0.875 -4.561 751 H GLY 114 HN GLY 114 3.399 2.365 -0.733 752 HA2 GLY 114 HA2 GLY 114 1.206 3.934 0.395 753 HA3 GLY 114 HA1 GLY 114 1.834 2.427 1.040 754 H VAL 115 HN VAL 115 2.163 3.073 3.121 755 HA VAL 115 HA VAL 115 3.283 5.530 3.928 756 HB VAL 115 HB VAL 115 1.924 4.087 5.394 757 HG11 VAL 115 HG11 VAL 115 3.231 2.222 6.601 758 HG12 VAL 115 HG12 VAL 115 4.268 2.245 5.171 759 HG13 VAL 115 HG13 VAL 115 2.545 1.902 5.009 760 HG21 VAL 115 HG21 VAL 115 4.006 4.106 7.248 761 HG22 VAL 115 HG22 VAL 115 2.810 5.373 6.966 762 HG23 VAL 115 HG23 VAL 115 4.363 5.421 6.128 763 H CYS 116 HN CYS 116 4.775 2.812 2.542 764 HA CYS 116 HA CYS 116 7.367 3.147 3.744 765 HB2 CYS 116 HB2 CYS 116 6.384 1.039 2.619 766 HB3 CYS 116 HB1 CYS 116 6.833 1.808 1.104 767 H LYS 117 HN LYS 117 5.581 4.554 1.177 768 HA LYS 117 HA LYS 117 7.796 5.616 -0.290 769 HB2 LYS 117 HB2 LYS 117 5.774 5.098 -1.468 770 HB3 LYS 117 HB1 LYS 117 4.804 6.029 -0.333 771 HG2 LYS 117 HG2 LYS 117 4.892 7.636 -1.836 772 HG3 LYS 117 HG1 LYS 117 6.542 7.891 -1.280 773 HD2 LYS 117 HD2 LYS 117 7.393 6.450 -3.040 774 HD3 LYS 117 HD1 LYS 117 5.742 6.090 -3.567 775 HE2 LYS 117 HE2 LYS 117 5.463 8.588 -3.925 776 HE3 LYS 117 HE1 LYS 117 7.207 8.723 -3.705 777 HZ1 LYS 117 HZ1 LYS 117 6.530 8.585 -6.051 778 HZ2 LYS 117 HZ2 LYS 117 5.901 7.032 -5.775 779 HZ3 LYS 117 HZ3 LYS 117 7.565 7.317 -5.604 780 H ASP 118 HN ASP 118 5.992 6.460 2.498 781 HA ASP 118 HA ASP 118 6.069 9.243 2.491 782 HB2 ASP 118 HB2 ASP 118 4.760 8.062 4.129 783 HB3 ASP 118 HB1 ASP 118 6.187 7.282 4.795 784 H LEU 119 HN LEU 119 8.528 6.913 3.536 785 HA LEU 119 HA LEU 119 10.353 9.057 4.256 786 HB2 LEU 119 HB2 LEU 119 10.126 6.782 5.455 787 HB3 LEU 119 HB1 LEU 119 11.039 6.125 4.111 788 HG LEU 119 HG LEU 119 12.137 8.429 5.702 789 HD11 LEU 119 HD11 LEU 119 12.242 7.187 7.537 790 HD12 LEU 119 HD12 LEU 119 13.333 6.105 6.671 791 HD13 LEU 119 HD13 LEU 119 11.598 5.780 6.693 792 HD21 LEU 119 HD21 LEU 119 13.410 7.994 3.770 793 HD22 LEU 119 HD22 LEU 119 13.298 6.246 3.992 794 HD23 LEU 119 HD23 LEU 119 14.283 7.213 5.089 795 H HIS 120 HN HIS 120 9.689 6.875 1.648 796 HA HIS 120 HA HIS 120 10.408 6.728 -0.494 797 HB2 HIS 120 HB2 HIS 120 10.190 9.273 -0.272 798 HB3 HIS 120 HB1 HIS 120 11.939 9.292 -0.086 799 HD2 HIS 120 HD2 HIS 120 11.450 6.703 -2.675 800 HE1 HIS 120 HE1 HIS 120 11.461 10.362 -4.821 801 HE2 HIS 120 HE2 HIS 120 11.806 7.868 -4.962 802 H LEU 121 HN LEU 121 11.639 4.912 0.379 803 HA LEU 121 HA LEU 121 14.511 5.345 0.125 804 HB2 LEU 121 HB2 LEU 121 14.479 3.159 1.623 805 HB3 LEU 121 HB1 LEU 121 14.504 4.773 2.304 806 HG LEU 121 HG LEU 121 11.973 4.595 2.480 807 HD11 LEU 121 HD11 LEU 121 10.850 2.769 1.841 808 HD12 LEU 121 HD12 LEU 121 12.034 1.695 2.584 809 HD13 LEU 121 HD13 LEU 121 12.308 2.310 0.956 810 HD21 LEU 121 HD21 LEU 121 14.019 3.686 4.148 811 HD22 LEU 121 HD22 LEU 121 12.776 2.438 4.197 812 HD23 LEU 121 HD23 LEU 121 12.366 4.103 4.608 813 H CYS 122 HN CYS 122 12.041 4.218 -1.522 814 HA CYS 122 HA CYS 122 13.583 1.995 -2.668 815 HB2 CYS 122 HB2 CYS 122 11.075 1.248 -3.313 816 HB3 CYS 122 HB1 CYS 122 11.905 0.675 -1.872 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -31.090 0.639 6.006 2 H2 ALA 1 HT2 ALA 1 -32.260 1.188 4.879 3 H3 ALA 1 HT3 ALA 1 -31.610 2.277 6.046 4 HA ALA 1 HA ALA 1 -30.455 1.208 3.602 5 HB1 ALA 1 HB1 ALA 1 -31.202 3.386 3.321 6 HB2 ALA 1 HB2 ALA 1 -29.494 3.614 3.697 7 HB3 ALA 1 HB3 ALA 1 -30.712 3.871 4.947 8 H MET 2 HN MET 2 -28.079 2.189 3.428 9 HA MET 2 HA MET 2 -25.894 1.931 3.934 10 HB2 MET 2 HB2 MET 2 -26.859 2.177 6.787 11 HB3 MET 2 HB1 MET 2 -25.179 2.260 6.280 12 HG2 MET 2 HG2 MET 2 -25.710 4.239 4.919 13 HG3 MET 2 HG1 MET 2 -27.370 4.175 5.508 14 HE1 MET 2 HE1 MET 2 -23.752 4.854 8.284 15 HE2 MET 2 HE2 MET 2 -23.581 4.971 6.531 16 HE3 MET 2 HE3 MET 2 -24.017 3.433 7.274 17 H GLY 3 HN GLY 3 -24.630 0.620 6.118 18 HA2 GLY 3 HA2 GLY 3 -24.427 -1.528 7.111 19 HA3 GLY 3 HA1 GLY 3 -25.663 -2.125 6.009 20 H LYS 4 HN LYS 4 -25.091 -2.706 3.903 21 HA LYS 4 HA LYS 4 -22.198 -2.788 3.368 22 HB2 LYS 4 HB2 LYS 4 -24.235 -4.934 2.693 23 HB3 LYS 4 HB1 LYS 4 -22.546 -4.946 2.202 24 HG2 LYS 4 HG2 LYS 4 -23.462 -4.940 5.071 25 HG3 LYS 4 HG1 LYS 4 -23.070 -6.395 4.158 26 HD2 LYS 4 HD2 LYS 4 -20.789 -5.440 3.754 27 HD3 LYS 4 HD1 LYS 4 -21.214 -4.126 4.857 28 HE2 LYS 4 HE2 LYS 4 -21.360 -5.584 6.702 29 HE3 LYS 4 HE1 LYS 4 -21.409 -7.015 5.676 30 HZ1 LYS 4 HZ1 LYS 4 -19.204 -6.155 6.914 31 HZ2 LYS 4 HZ2 LYS 4 -19.025 -5.389 5.416 32 HZ3 LYS 4 HZ3 LYS 4 -19.190 -7.073 5.484 33 H CYS 5 HN CYS 5 -21.606 -2.573 1.140 34 HA CYS 5 HA CYS 5 -23.545 -0.974 -0.312 35 HB2 CYS 5 HB2 CYS 5 -21.662 -0.443 -1.821 36 HB3 CYS 5 HB1 CYS 5 -21.321 -0.075 -0.136 37 H SER 6 HN SER 6 -23.037 -4.171 -0.164 38 HA SER 6 HA SER 6 -23.514 -5.960 -1.468 39 HB2 SER 6 HB2 SER 6 -25.018 -3.937 -3.145 40 HB3 SER 6 HB1 SER 6 -25.210 -5.688 -3.221 41 HG SER 6 HG SER 6 -26.808 -4.957 -1.890 42 H VAL 7 HN VAL 7 -21.639 -6.636 -2.242 43 HA VAL 7 HA VAL 7 -19.930 -5.466 -4.062 44 HB VAL 7 HB VAL 7 -20.356 -8.418 -3.542 45 HG11 VAL 7 HG11 VAL 7 -19.026 -8.271 -5.487 46 HG12 VAL 7 HG12 VAL 7 -17.895 -8.510 -4.157 47 HG13 VAL 7 HG13 VAL 7 -18.111 -6.903 -4.855 48 HG21 VAL 7 HG21 VAL 7 -19.056 -8.228 -1.683 49 HG22 VAL 7 HG22 VAL 7 -19.735 -6.595 -1.688 50 HG23 VAL 7 HG23 VAL 7 -18.132 -6.892 -2.357 51 H LEU 8 HN LEU 8 -22.515 -7.820 -4.748 52 HA LEU 8 HA LEU 8 -21.979 -8.292 -7.411 53 HB2 LEU 8 HB2 LEU 8 -23.641 -9.518 -6.074 54 HB3 LEU 8 HB1 LEU 8 -24.704 -8.126 -6.136 55 HG LEU 8 HG LEU 8 -24.870 -8.362 -8.584 56 HD11 LEU 8 HD11 LEU 8 -23.165 -10.812 -8.155 57 HD12 LEU 8 HD12 LEU 8 -22.760 -9.385 -9.112 58 HD13 LEU 8 HD13 LEU 8 -24.061 -10.457 -9.633 59 HD21 LEU 8 HD21 LEU 8 -25.754 -10.418 -6.665 60 HD22 LEU 8 HD22 LEU 8 -25.865 -10.862 -8.370 61 HD23 LEU 8 HD23 LEU 8 -26.688 -9.419 -7.779 62 H LYS 9 HN LYS 9 -24.377 -5.881 -6.236 63 HA LYS 9 HA LYS 9 -24.741 -4.842 -8.845 64 HB2 LYS 9 HB2 LYS 9 -25.518 -3.762 -6.145 65 HB3 LYS 9 HB1 LYS 9 -26.012 -3.054 -7.672 66 HG2 LYS 9 HG2 LYS 9 -26.942 -5.416 -8.192 67 HG3 LYS 9 HG1 LYS 9 -26.820 -5.658 -6.454 68 HD2 LYS 9 HD2 LYS 9 -28.348 -3.401 -7.757 69 HD3 LYS 9 HD1 LYS 9 -29.071 -4.912 -7.211 70 HE2 LYS 9 HE2 LYS 9 -29.476 -3.517 -5.425 71 HE3 LYS 9 HE1 LYS 9 -27.985 -4.318 -4.936 72 HZ1 LYS 9 HZ1 LYS 9 -28.405 -1.638 -4.995 73 HZ2 LYS 9 HZ2 LYS 9 -27.517 -1.899 -6.419 74 HZ3 LYS 9 HZ3 LYS 9 -26.887 -2.394 -4.922 75 H LYS 10 HN LYS 10 -22.105 -4.515 -6.897 76 HA LYS 10 HA LYS 10 -21.594 -1.806 -7.925 77 HB2 LYS 10 HB2 LYS 10 -21.539 -2.251 -5.369 78 HB3 LYS 10 HB1 LYS 10 -19.997 -3.036 -5.695 79 HG2 LYS 10 HG2 LYS 10 -18.963 -1.067 -6.308 80 HG3 LYS 10 HG1 LYS 10 -20.482 -0.276 -6.737 81 HD2 LYS 10 HD2 LYS 10 -21.067 -0.279 -4.301 82 HD3 LYS 10 HD1 LYS 10 -19.427 -0.855 -3.974 83 HE2 LYS 10 HE2 LYS 10 -18.505 1.133 -5.053 84 HE3 LYS 10 HE1 LYS 10 -20.132 1.706 -5.412 85 HZ1 LYS 10 HZ1 LYS 10 -20.574 1.978 -3.097 86 HZ2 LYS 10 HZ2 LYS 10 -19.100 2.754 -3.443 87 HZ3 LYS 10 HZ3 LYS 10 -19.101 1.247 -2.668 88 H VAL 11 HN VAL 11 -21.361 -3.856 -9.646 89 HA VAL 11 HA VAL 11 -20.042 -4.897 -11.159 90 HB VAL 11 HB VAL 11 -18.025 -2.793 -10.437 91 HG11 VAL 11 HG11 VAL 11 -18.652 -4.156 -13.048 92 HG12 VAL 11 HG12 VAL 11 -17.224 -4.434 -12.049 93 HG13 VAL 11 HG13 VAL 11 -17.467 -2.870 -12.829 94 HG21 VAL 11 HG21 VAL 11 -20.627 -2.237 -11.018 95 HG22 VAL 11 HG22 VAL 11 -19.867 -2.168 -12.612 96 HG23 VAL 11 HG23 VAL 11 -19.268 -1.151 -11.303 97 H ALA 12 HN ALA 12 -19.915 -6.013 -8.566 98 HA ALA 12 HA ALA 12 -18.739 -7.437 -7.240 99 HB1 ALA 12 HB1 ALA 12 -18.588 -8.351 -9.772 100 HB2 ALA 12 HB2 ALA 12 -17.934 -9.206 -8.375 101 HB3 ALA 12 HB3 ALA 12 -16.873 -8.219 -9.382 102 H CYS 13 HN CYS 13 -17.933 -4.950 -6.835 103 HA CYS 13 HA CYS 13 -16.302 -3.525 -6.215 104 HB2 CYS 13 HB2 CYS 13 -14.540 -4.535 -4.727 105 HB3 CYS 13 HB1 CYS 13 -16.208 -4.832 -4.266 106 H ALA 14 HN ALA 14 -15.970 -4.135 -8.879 107 HA ALA 14 HA ALA 14 -13.053 -4.219 -9.157 108 HB1 ALA 14 HB1 ALA 14 -14.947 -5.741 -10.480 109 HB2 ALA 14 HB2 ALA 14 -13.262 -5.519 -10.957 110 HB3 ALA 14 HB3 ALA 14 -14.517 -4.489 -11.645 111 H ALA 15 HN ALA 15 -15.092 -1.979 -8.603 112 HA ALA 15 HA ALA 15 -14.663 -0.272 -10.924 113 HB1 ALA 15 HB1 ALA 15 -15.916 1.209 -8.891 114 HB2 ALA 15 HB2 ALA 15 -16.624 -0.406 -8.834 115 HB3 ALA 15 HB3 ALA 15 -16.653 0.518 -10.337 116 H ALA 16 HN ALA 16 -14.587 0.721 -7.538 117 HA ALA 16 HA ALA 16 -12.397 2.496 -8.016 118 HB1 ALA 16 HB1 ALA 16 -14.280 2.913 -6.415 119 HB2 ALA 16 HB2 ALA 16 -12.666 3.188 -5.758 120 HB3 ALA 16 HB3 ALA 16 -13.548 1.717 -5.345 121 H ILE 17 HN ILE 17 -12.706 -0.722 -6.757 122 HA ILE 17 HA ILE 17 -10.183 -0.809 -5.439 123 HB ILE 17 HB ILE 17 -12.228 -2.867 -6.221 124 HG12 ILE 17 HG12 ILE 17 -11.085 -2.067 -3.544 125 HG13 ILE 17 HG11 ILE 17 -12.538 -1.355 -4.256 126 HG21 ILE 17 HG21 ILE 17 -9.890 -3.706 -4.589 127 HG22 ILE 17 HG22 ILE 17 -9.730 -3.686 -6.346 128 HG23 ILE 17 HG23 ILE 17 -10.983 -4.671 -5.587 129 HD11 ILE 17 HD11 ILE 17 -12.581 -3.400 -2.542 130 HD12 ILE 17 HD12 ILE 17 -12.492 -4.292 -4.062 131 HD13 ILE 17 HD13 ILE 17 -13.807 -3.149 -3.782 132 H ALA 18 HN ALA 18 -11.407 -1.994 -8.563 133 HA ALA 18 HA ALA 18 -8.788 -2.870 -9.339 134 HB1 ALA 18 HB1 ALA 18 -9.835 -3.469 -11.489 135 HB2 ALA 18 HB2 ALA 18 -11.345 -2.751 -10.925 136 HB3 ALA 18 HB3 ALA 18 -10.677 -4.164 -10.105 137 H GLY 19 HN GLY 19 -10.514 0.041 -9.441 138 HA2 GLY 19 HA2 GLY 19 -9.217 1.103 -11.796 139 HA3 GLY 19 HA1 GLY 19 -10.277 1.979 -10.700 140 H ALA 20 HN ALA 20 -8.781 1.255 -8.311 141 HA ALA 20 HA ALA 20 -6.851 3.354 -8.405 142 HB1 ALA 20 HB1 ALA 20 -6.355 2.419 -6.020 143 HB2 ALA 20 HB2 ALA 20 -7.835 1.497 -6.290 144 HB3 ALA 20 HB3 ALA 20 -7.870 3.260 -6.343 145 H VAL 21 HN VAL 21 -6.751 0.067 -9.159 146 HA VAL 21 HA VAL 21 -4.156 -0.630 -8.358 147 HB VAL 21 HB VAL 21 -5.879 -1.634 -10.635 148 HG11 VAL 21 HG11 VAL 21 -4.286 -3.699 -10.124 149 HG12 VAL 21 HG12 VAL 21 -3.177 -2.390 -9.722 150 HG13 VAL 21 HG13 VAL 21 -3.900 -2.468 -11.326 151 HG21 VAL 21 HG21 VAL 21 -5.332 -2.933 -7.976 152 HG22 VAL 21 HG22 VAL 21 -6.525 -3.401 -9.191 153 HG23 VAL 21 HG23 VAL 21 -6.732 -1.904 -8.280 154 H ALA 22 HN ALA 22 -5.472 0.914 -11.248 155 HA ALA 22 HA ALA 22 -3.032 0.947 -12.705 156 HB1 ALA 22 HB1 ALA 22 -4.232 2.683 -14.095 157 HB2 ALA 22 HB2 ALA 22 -5.604 2.478 -13.008 158 HB3 ALA 22 HB3 ALA 22 -5.025 1.112 -13.968 159 H ALA 23 HN ALA 23 -4.532 3.071 -10.381 160 HA ALA 23 HA ALA 23 -2.916 5.348 -10.892 161 HB1 ALA 23 HB1 ALA 23 -5.089 5.515 -9.783 162 HB2 ALA 23 HB2 ALA 23 -3.804 6.223 -8.803 163 HB3 ALA 23 HB3 ALA 23 -4.452 4.632 -8.398 164 H CYS 24 HN CYS 24 -2.729 2.720 -8.518 165 HA CYS 24 HA CYS 24 -0.312 3.789 -7.347 166 HB2 CYS 24 HB2 CYS 24 -1.611 1.098 -6.907 167 HB3 CYS 24 HB1 CYS 24 -0.382 1.848 -5.894 168 H GLY 25 HN GLY 25 -1.101 1.697 -9.951 169 HA2 GLY 25 HA2 GLY 25 0.341 0.763 -11.519 170 HA3 GLY 25 HA1 GLY 25 1.696 1.343 -10.555 171 H GLY 26 HN GLY 26 -1.008 -0.887 -10.117 172 HA2 GLY 26 HA2 GLY 26 -0.438 -3.319 -10.020 173 HA3 GLY 26 HA1 GLY 26 0.886 -2.835 -8.955 174 H ILE 27 HN ILE 27 -1.270 -4.641 -8.222 175 HA ILE 27 HA ILE 27 -2.834 -2.918 -6.463 176 HB ILE 27 HB ILE 27 -4.088 -4.534 -7.806 177 HG12 ILE 27 HG12 ILE 27 -4.112 -4.871 -4.807 178 HG13 ILE 27 HG11 ILE 27 -5.076 -3.759 -5.771 179 HG21 ILE 27 HG21 ILE 27 -2.221 -6.441 -6.538 180 HG22 ILE 27 HG22 ILE 27 -3.000 -6.494 -8.118 181 HG23 ILE 27 HG23 ILE 27 -3.901 -6.963 -6.674 182 HD11 ILE 27 HD11 ILE 27 -5.978 -6.057 -4.807 183 HD12 ILE 27 HD12 ILE 27 -5.381 -6.606 -6.373 184 HD13 ILE 27 HD13 ILE 27 -6.582 -5.318 -6.289 185 H ASP 28 HN ASP 28 -3.021 -3.192 -4.309 186 HA ASP 28 HA ASP 28 -1.559 -5.130 -2.804 187 HB2 ASP 28 HB2 ASP 28 0.148 -3.318 -3.516 188 HB3 ASP 28 HB1 ASP 28 -0.710 -2.260 -2.407 189 H LEU 29 HN LEU 29 -1.814 -2.052 -1.337 190 HA LEU 29 HA LEU 29 -4.550 -1.953 -0.754 191 HB2 LEU 29 HB2 LEU 29 -4.134 -4.025 0.467 192 HB3 LEU 29 HB1 LEU 29 -2.907 -3.222 1.433 193 HG LEU 29 HG LEU 29 -4.592 -1.777 2.434 194 HD11 LEU 29 HD11 LEU 29 -7.034 -2.444 1.963 195 HD12 LEU 29 HD12 LEU 29 -6.399 -3.127 0.466 196 HD13 LEU 29 HD13 LEU 29 -6.204 -1.406 0.802 197 HD21 LEU 29 HD21 LEU 29 -5.063 -3.328 3.963 198 HD22 LEU 29 HD22 LEU 29 -4.259 -4.477 2.892 199 HD23 LEU 29 HD23 LEU 29 -6.010 -4.279 2.819 200 HA PRO 30 HA PRO 30 -1.990 0.921 2.380 201 HB2 PRO 30 HB2 PRO 30 0.536 1.406 1.316 202 HB3 PRO 30 HB1 PRO 30 0.173 0.382 2.709 203 HG2 PRO 30 HG2 PRO 30 0.625 -0.387 -0.145 204 HG3 PRO 30 HG1 PRO 30 1.158 -1.205 1.340 205 HD2 PRO 30 HD2 PRO 30 -0.909 -2.131 -0.055 206 HD3 PRO 30 HD1 PRO 30 -0.939 -2.138 1.722 207 H CYS 31 HN CYS 31 -2.044 0.876 -1.068 208 HA CYS 31 HA CYS 31 -2.115 3.804 -1.089 209 HB2 CYS 31 HB2 CYS 31 -0.228 3.154 -2.381 210 HB3 CYS 31 HB1 CYS 31 -1.119 1.862 -3.171 211 H VAL 32 HN VAL 32 -3.611 0.845 -2.133 212 HA VAL 32 HA VAL 32 -5.553 1.999 -3.832 213 HB VAL 32 HB VAL 32 -5.953 -0.639 -2.485 214 HG11 VAL 32 HG11 VAL 32 -6.823 -1.283 -4.611 215 HG12 VAL 32 HG12 VAL 32 -6.227 0.200 -5.354 216 HG13 VAL 32 HG13 VAL 32 -7.533 0.270 -4.170 217 HG21 VAL 32 HG21 VAL 32 -3.466 -0.117 -3.315 218 HG22 VAL 32 HG22 VAL 32 -4.181 -0.592 -4.857 219 HG23 VAL 32 HG23 VAL 32 -4.215 -1.705 -3.490 220 H LEU 33 HN LEU 33 -5.283 2.029 -0.455 221 HA LEU 33 HA LEU 33 -8.034 1.705 0.207 222 HB2 LEU 33 HB2 LEU 33 -7.467 2.110 2.383 223 HB3 LEU 33 HB1 LEU 33 -5.927 1.574 1.744 224 HG LEU 33 HG LEU 33 -6.655 4.492 2.033 225 HD11 LEU 33 HD11 LEU 33 -6.185 2.646 4.102 226 HD12 LEU 33 HD12 LEU 33 -6.257 4.408 4.210 227 HD13 LEU 33 HD13 LEU 33 -4.715 3.602 3.929 228 HD21 LEU 33 HD21 LEU 33 -4.037 3.054 1.630 229 HD22 LEU 33 HD22 LEU 33 -4.199 4.776 1.981 230 HD23 LEU 33 HD23 LEU 33 -4.853 4.112 0.482 231 H ALA 34 HN ALA 34 -6.316 4.247 -1.231 232 HA ALA 34 HA ALA 34 -7.528 6.540 -0.232 233 HB1 ALA 34 HB1 ALA 34 -5.731 6.949 -1.619 234 HB2 ALA 34 HB2 ALA 34 -7.095 7.408 -2.639 235 HB3 ALA 34 HB3 ALA 34 -6.310 5.848 -2.871 236 H ALA 35 HN ALA 35 -8.500 4.671 -3.111 237 HA ALA 35 HA ALA 35 -11.034 6.104 -3.205 238 HB1 ALA 35 HB1 ALA 35 -9.680 5.546 -5.265 239 HB2 ALA 35 HB2 ALA 35 -11.383 5.086 -5.318 240 HB3 ALA 35 HB3 ALA 35 -10.148 3.864 -5.012 241 H LEU 36 HN LEU 36 -10.139 4.007 -1.141 242 HA LEU 36 HA LEU 36 -12.434 2.182 -1.417 243 HB2 LEU 36 HB2 LEU 36 -10.045 1.281 -1.337 244 HB3 LEU 36 HB1 LEU 36 -10.019 1.792 0.339 245 HG LEU 36 HG LEU 36 -11.940 0.291 0.793 246 HD11 LEU 36 HD11 LEU 36 -12.325 -1.493 -0.970 247 HD12 LEU 36 HD12 LEU 36 -11.531 -0.397 -2.106 248 HD13 LEU 36 HD13 LEU 36 -13.017 0.096 -1.288 249 HD21 LEU 36 HD21 LEU 36 -10.394 -1.822 -0.040 250 HD22 LEU 36 HD22 LEU 36 -10.197 -0.932 1.470 251 HD23 LEU 36 HD23 LEU 36 -9.236 -0.498 0.056 252 H LYS 37 HN LYS 37 -11.555 4.949 0.084 253 HA LYS 37 HA LYS 37 -12.786 4.310 2.660 254 HB2 LYS 37 HB2 LYS 37 -10.634 5.463 2.720 255 HB3 LYS 37 HB1 LYS 37 -11.274 6.763 1.733 256 HG2 LYS 37 HG2 LYS 37 -12.414 7.710 3.466 257 HG3 LYS 37 HG1 LYS 37 -12.632 6.171 4.308 258 HD2 LYS 37 HD2 LYS 37 -11.074 7.703 5.469 259 HD3 LYS 37 HD1 LYS 37 -10.325 6.173 5.006 260 HE2 LYS 37 HE2 LYS 37 -9.347 7.276 3.031 261 HE3 LYS 37 HE1 LYS 37 -10.061 8.805 3.546 262 HZ1 LYS 37 HZ1 LYS 37 -8.380 9.157 4.930 263 HZ2 LYS 37 HZ2 LYS 37 -7.591 7.817 4.253 264 HZ3 LYS 37 HZ3 LYS 37 -8.536 7.621 5.651 265 H ALA 38 HN ALA 38 -14.436 5.639 3.557 266 HA ALA 38 HA ALA 38 -16.367 6.819 3.606 267 HB1 ALA 38 HB1 ALA 38 -16.082 8.807 2.671 268 HB2 ALA 38 HB2 ALA 38 -16.592 8.115 1.129 269 HB3 ALA 38 HB3 ALA 38 -14.882 8.153 1.555 270 H ALA 39 HN ALA 39 -16.925 4.415 3.280 271 HA ALA 39 HA ALA 39 -19.181 4.324 1.518 272 HB1 ALA 39 HB1 ALA 39 -18.134 3.456 -0.263 273 HB2 ALA 39 HB2 ALA 39 -18.013 1.975 0.685 274 HB3 ALA 39 HB3 ALA 39 -16.666 3.114 0.660 275 H GLU 40 HN GLU 40 -20.386 2.264 1.760 276 HA GLU 40 HA GLU 40 -20.247 1.368 4.512 277 HB2 GLU 40 HB2 GLU 40 -22.196 0.730 2.288 278 HB3 GLU 40 HB1 GLU 40 -22.315 0.067 3.910 279 HG2 GLU 40 HG2 GLU 40 -23.762 1.801 4.102 280 HG3 GLU 40 HG1 GLU 40 -22.275 2.611 4.588 281 H GLY 41 HN GLY 41 -18.082 0.385 4.030 282 HA2 GLY 41 HA2 GLY 41 -17.045 -1.719 4.178 283 HA3 GLY 41 HA1 GLY 41 -18.479 -2.448 3.469 284 H CYS 42 HN CYS 42 -18.362 -3.078 1.430 285 HA CYS 42 HA CYS 42 -17.762 -3.274 -0.751 286 HB2 CYS 42 HB2 CYS 42 -16.265 -0.683 -0.335 287 HB3 CYS 42 HB1 CYS 42 -16.517 -1.470 -1.888 288 H ALA 43 HN ALA 43 -15.191 -2.517 1.520 289 HA ALA 43 HA ALA 43 -13.130 -3.732 -0.072 290 HB1 ALA 43 HB1 ALA 43 -13.155 -2.828 2.802 291 HB2 ALA 43 HB2 ALA 43 -12.563 -1.919 1.411 292 HB3 ALA 43 HB3 ALA 43 -11.727 -3.385 1.931 293 H SER 44 HN SER 44 -15.584 -5.289 0.999 294 HA SER 44 HA SER 44 -14.614 -7.220 2.821 295 HB2 SER 44 HB2 SER 44 -16.825 -7.668 0.811 296 HB3 SER 44 HB1 SER 44 -16.643 -8.390 2.411 297 HG SER 44 HG SER 44 -17.511 -6.682 3.285 298 H CYS 45 HN CYS 45 -15.269 -7.507 -0.673 299 HA CYS 45 HA CYS 45 -13.978 -10.007 -0.988 300 HB2 CYS 45 HB2 CYS 45 -13.947 -9.049 -3.490 301 HB3 CYS 45 HB1 CYS 45 -15.420 -9.653 -2.730 302 H PHE 46 HN PHE 46 -12.832 -6.757 -0.964 303 HA PHE 46 HA PHE 46 -10.369 -7.305 -2.341 304 HB2 PHE 46 HB2 PHE 46 -11.533 -5.109 -2.402 305 HB3 PHE 46 HB1 PHE 46 -11.179 -4.905 -0.693 306 HD1 PHE 46 HD2 PHE 46 -8.383 -6.499 -1.982 307 HD2 PHE 46 HD1 PHE 46 -10.378 -2.745 -2.039 308 HE1 PHE 46 HE2 PHE 46 -6.268 -5.389 -2.558 309 HE2 PHE 46 HE1 PHE 46 -8.286 -1.630 -2.627 310 HZ PHE 46 HZ PHE 46 -6.212 -2.955 -2.877 311 H CYS 47 HN CYS 47 -10.838 -5.890 0.876 312 HA CYS 47 HA CYS 47 -8.303 -6.863 1.779 313 HB2 CYS 47 HB2 CYS 47 -10.492 -5.609 3.421 314 HB3 CYS 47 HB1 CYS 47 -8.773 -5.671 3.796 315 H GLU 48 HN GLU 48 -9.985 -9.042 1.113 316 HA GLU 48 HA GLU 48 -11.174 -10.120 3.478 317 HB2 GLU 48 HB2 GLU 48 -11.679 -10.700 1.032 318 HB3 GLU 48 HB1 GLU 48 -10.198 -11.638 1.047 319 HG2 GLU 48 HG2 GLU 48 -11.864 -13.207 1.424 320 HG3 GLU 48 HG1 GLU 48 -11.184 -12.892 3.020 321 H ASP 49 HN ASP 49 -8.287 -10.866 1.596 322 HA ASP 49 HA ASP 49 -7.110 -12.471 3.712 323 HB2 ASP 49 HB2 ASP 49 -7.020 -13.030 1.234 324 HB3 ASP 49 HB1 ASP 49 -5.943 -11.656 1.038 325 H HIS 50 HN HIS 50 -7.271 -9.254 2.837 326 HA HIS 50 HA HIS 50 -4.647 -8.586 4.008 327 HB2 HIS 50 HB2 HIS 50 -6.432 -6.722 2.442 328 HB3 HIS 50 HB1 HIS 50 -4.715 -6.549 2.783 329 HD2 HIS 50 HD2 HIS 50 -6.945 -7.720 -0.030 330 HE1 HIS 50 HE1 HIS 50 -3.144 -9.493 -0.727 331 HE2 HIS 50 HE2 HIS 50 -5.341 -8.808 -1.761 332 H CYS 51 HN CYS 51 -5.269 -8.638 6.234 333 HA CYS 51 HA CYS 51 -6.982 -6.372 6.989 334 HB2 CYS 51 HB2 CYS 51 -7.169 -9.155 8.149 335 HB3 CYS 51 HB1 CYS 51 -7.978 -7.743 8.816 336 H HIS 52 HN HIS 52 -4.339 -5.902 7.146 337 HA HIS 52 HA HIS 52 -3.748 -6.368 9.988 338 HB2 HIS 52 HB2 HIS 52 -1.681 -5.755 7.878 339 HB3 HIS 52 HB1 HIS 52 -1.388 -6.175 9.556 340 HD2 HIS 52 HD2 HIS 52 -1.344 -8.912 10.102 341 HE1 HIS 52 HE1 HIS 52 -1.765 -10.122 6.052 342 HE2 HIS 52 HE2 HIS 52 -1.073 -10.820 8.366 343 H GLY 53 HN GLY 53 -3.132 -4.066 7.344 344 HA2 GLY 53 HA2 GLY 53 -3.597 -1.889 9.283 345 HA3 GLY 53 HA1 GLY 53 -2.191 -1.849 8.228 346 H VAL 54 HN VAL 54 -3.316 0.256 7.782 347 HA VAL 54 HA VAL 54 -4.581 1.686 6.601 348 HB VAL 54 HB VAL 54 -4.549 1.327 4.117 349 HG11 VAL 54 HG11 VAL 54 -1.787 0.936 5.112 350 HG12 VAL 54 HG12 VAL 54 -2.711 2.290 5.763 351 HG13 VAL 54 HG13 VAL 54 -2.442 2.159 4.023 352 HG21 VAL 54 HG21 VAL 54 -3.306 -0.441 3.159 353 HG22 VAL 54 HG22 VAL 54 -4.471 -1.189 4.250 354 HG23 VAL 54 HG23 VAL 54 -2.784 -1.026 4.738 355 H CYS 55 HN CYS 55 -5.751 -1.444 5.257 356 HA CYS 55 HA CYS 55 -8.283 -0.305 4.649 357 HB2 CYS 55 HB2 CYS 55 -7.261 -2.320 3.537 358 HB3 CYS 55 HB1 CYS 55 -7.689 -3.237 4.979 359 H LYS 56 HN LYS 56 -7.152 -2.387 7.340 360 HA LYS 56 HA LYS 56 -9.800 -2.252 8.477 361 HB2 LYS 56 HB2 LYS 56 -8.941 -3.536 10.374 362 HB3 LYS 56 HB1 LYS 56 -8.639 -4.320 8.835 363 HG2 LYS 56 HG2 LYS 56 -6.482 -4.463 9.290 364 HG3 LYS 56 HG1 LYS 56 -6.377 -2.720 9.549 365 HD2 LYS 56 HD2 LYS 56 -5.708 -4.198 11.505 366 HD3 LYS 56 HD1 LYS 56 -6.882 -2.926 11.844 367 HE2 LYS 56 HE2 LYS 56 -7.565 -4.980 12.935 368 HE3 LYS 56 HE1 LYS 56 -8.700 -4.579 11.652 369 HZ1 LYS 56 HZ1 LYS 56 -7.033 -6.898 11.963 370 HZ2 LYS 56 HZ2 LYS 56 -6.869 -6.197 10.433 371 HZ3 LYS 56 HZ3 LYS 56 -8.403 -6.672 10.978 372 H ASP 57 HN ASP 57 -7.858 0.100 8.096 373 HA ASP 57 HA ASP 57 -7.641 1.184 10.773 374 HB2 ASP 57 HB2 ASP 57 -6.057 1.842 8.937 375 HB3 ASP 57 HB1 ASP 57 -7.405 2.571 8.075 376 H LEU 58 HN LEU 58 -9.759 0.979 8.112 377 HA LEU 58 HA LEU 58 -11.723 2.843 9.231 378 HB2 LEU 58 HB2 LEU 58 -11.839 1.305 6.631 379 HB3 LEU 58 HB1 LEU 58 -12.861 2.648 7.111 380 HG LEU 58 HG LEU 58 -9.893 2.884 6.625 381 HD11 LEU 58 HD11 LEU 58 -11.645 4.184 4.717 382 HD12 LEU 58 HD12 LEU 58 -11.838 2.430 4.717 383 HD13 LEU 58 HD13 LEU 58 -10.247 3.141 4.446 384 HD21 LEU 58 HD21 LEU 58 -11.774 5.174 6.512 385 HD22 LEU 58 HD22 LEU 58 -10.088 5.110 7.031 386 HD23 LEU 58 HD23 LEU 58 -11.363 4.529 8.101 387 H HIS 59 HN HIS 59 -10.856 -0.420 9.030 388 HA HIS 59 HA HIS 59 -11.730 -2.372 9.772 389 HB2 HIS 59 HB2 HIS 59 -13.720 -0.532 11.107 390 HB3 HIS 59 HB1 HIS 59 -13.675 -2.274 11.362 391 HD2 HIS 59 HD2 HIS 59 -12.325 0.789 12.995 392 HE1 HIS 59 HE1 HIS 59 -9.582 -2.293 13.996 393 HE2 HIS 59 HE2 HIS 59 -10.325 0.074 14.479 394 H LEU 60 HN LEU 60 -12.192 -2.931 7.579 395 HA LEU 60 HA LEU 60 -15.056 -2.917 7.001 396 HB2 LEU 60 HB2 LEU 60 -12.814 -2.638 5.011 397 HB3 LEU 60 HB1 LEU 60 -14.515 -2.762 4.605 398 HG LEU 60 HG LEU 60 -13.283 -0.512 6.209 399 HD11 LEU 60 HD11 LEU 60 -14.069 0.742 4.062 400 HD12 LEU 60 HD12 LEU 60 -13.904 -0.842 3.311 401 HD13 LEU 60 HD13 LEU 60 -12.511 -0.088 4.086 402 HD21 LEU 60 HD21 LEU 60 -15.339 0.295 6.582 403 HD22 LEU 60 HD22 LEU 60 -15.877 -1.353 6.265 404 HD23 LEU 60 HD23 LEU 60 -15.911 -0.150 4.975 405 H CYS 61 HN CYS 61 -12.426 -4.940 7.591 406 HA CYS 61 HA CYS 61 -13.844 -7.148 6.241 407 HB2 CYS 61 HB2 CYS 61 -11.712 -8.372 6.048 408 HB3 CYS 61 HB1 CYS 61 -11.702 -6.902 5.093 409 H1 ALA 62 HT1 ALA 62 27.095 2.825 9.929 410 H2 ALA 62 HT2 ALA 62 27.555 3.191 11.541 411 H3 ALA 62 HT3 ALA 62 28.568 3.655 10.229 412 HA ALA 62 HA ALA 62 26.120 4.831 11.231 413 HB1 ALA 62 HB1 ALA 62 27.279 6.877 10.805 414 HB2 ALA 62 HB2 ALA 62 28.505 6.046 9.845 415 HB3 ALA 62 HB3 ALA 62 28.412 5.774 11.587 416 H MET 63 HN MET 63 24.678 3.791 9.712 417 HA MET 63 HA MET 63 23.367 3.745 7.873 418 HB2 MET 63 HB2 MET 63 24.589 6.463 7.642 419 HB3 MET 63 HB1 MET 63 23.598 5.848 6.327 420 HG2 MET 63 HG2 MET 63 21.763 5.480 7.973 421 HG3 MET 63 HG1 MET 63 22.763 6.282 9.185 422 HE1 MET 63 HE1 MET 63 19.676 8.551 7.736 423 HE2 MET 63 HE2 MET 63 20.325 8.079 9.306 424 HE3 MET 63 HE3 MET 63 19.838 6.843 8.145 425 H GLY 64 HN GLY 64 24.677 1.913 7.208 426 HA2 GLY 64 HA2 GLY 64 26.358 2.505 4.851 427 HA3 GLY 64 HA1 GLY 64 26.464 1.038 5.817 428 H LYS 65 HN LYS 65 25.868 -0.607 4.533 429 HA LYS 65 HA LYS 65 23.336 -0.293 3.066 430 HB2 LYS 65 HB2 LYS 65 25.936 -1.121 2.066 431 HB3 LYS 65 HB1 LYS 65 24.724 -2.368 1.800 432 HG2 LYS 65 HG2 LYS 65 24.877 -0.884 -0.117 433 HG3 LYS 65 HG1 LYS 65 23.295 -0.740 0.655 434 HD2 LYS 65 HD2 LYS 65 24.356 1.239 1.926 435 HD3 LYS 65 HD1 LYS 65 25.591 1.192 0.667 436 HE2 LYS 65 HE2 LYS 65 22.618 1.462 0.205 437 HE3 LYS 65 HE1 LYS 65 23.786 2.784 0.144 438 HZ1 LYS 65 HZ1 LYS 65 23.582 2.223 -2.053 439 HZ2 LYS 65 HZ2 LYS 65 23.376 0.571 -1.755 440 HZ3 LYS 65 HZ3 LYS 65 24.922 1.273 -1.629 441 H CYS 66 HN CYS 66 21.802 -1.676 3.542 442 HA CYS 66 HA CYS 66 22.022 -3.396 5.742 443 HB2 CYS 66 HB2 CYS 66 19.911 -3.003 3.653 444 HB3 CYS 66 HB1 CYS 66 19.747 -4.246 4.887 445 H SER 67 HN SER 67 21.411 -4.304 2.336 446 HA SER 67 HA SER 67 21.913 -6.204 1.174 447 HB2 SER 67 HB2 SER 67 23.613 -7.011 3.554 448 HB3 SER 67 HB1 SER 67 23.678 -7.707 1.934 449 HG SER 67 HG SER 67 24.553 -5.830 1.158 450 H VAL 68 HN VAL 68 22.046 -8.859 2.002 451 HA VAL 68 HA VAL 68 19.595 -9.110 3.618 452 HB VAL 68 HB VAL 68 20.362 -10.881 1.283 453 HG11 VAL 68 HG11 VAL 68 17.856 -11.504 1.592 454 HG12 VAL 68 HG12 VAL 68 18.099 -10.906 3.233 455 HG13 VAL 68 HG13 VAL 68 19.079 -12.244 2.625 456 HG21 VAL 68 HG21 VAL 68 18.711 -8.431 1.456 457 HG22 VAL 68 HG22 VAL 68 18.074 -9.759 0.485 458 HG23 VAL 68 HG23 VAL 68 19.655 -9.074 0.111 459 H LEU 69 HN LEU 69 22.343 -11.021 2.392 460 HA LEU 69 HA LEU 69 22.231 -13.061 4.287 461 HB2 LEU 69 HB2 LEU 69 23.557 -13.146 2.214 462 HB3 LEU 69 HB1 LEU 69 24.657 -11.953 2.870 463 HG LEU 69 HG LEU 69 25.278 -13.563 4.664 464 HD11 LEU 69 HD11 LEU 69 24.607 -15.856 4.532 465 HD12 LEU 69 HD12 LEU 69 23.704 -15.559 3.045 466 HD13 LEU 69 HD13 LEU 69 23.153 -14.856 4.567 467 HD21 LEU 69 HD21 LEU 69 26.725 -13.405 2.771 468 HD22 LEU 69 HD22 LEU 69 25.646 -14.402 1.795 469 HD23 LEU 69 HD23 LEU 69 26.527 -15.117 3.146 470 H LYS 70 HN LYS 70 23.806 -9.904 4.434 471 HA LYS 70 HA LYS 70 25.068 -10.517 6.938 472 HB2 LYS 70 HB2 LYS 70 24.864 -7.864 5.505 473 HB3 LYS 70 HB1 LYS 70 25.954 -8.265 6.813 474 HG2 LYS 70 HG2 LYS 70 26.950 -10.016 5.297 475 HG3 LYS 70 HG1 LYS 70 26.014 -9.282 3.994 476 HD2 LYS 70 HD2 LYS 70 27.871 -7.669 5.723 477 HD3 LYS 70 HD1 LYS 70 28.450 -8.532 4.299 478 HE2 LYS 70 HE2 LYS 70 28.024 -6.341 3.558 479 HE3 LYS 70 HE1 LYS 70 26.649 -7.287 3.001 480 HZ1 LYS 70 HZ1 LYS 70 26.602 -4.979 4.530 481 HZ2 LYS 70 HZ2 LYS 70 26.107 -6.219 5.572 482 HZ3 LYS 70 HZ3 LYS 70 25.288 -5.956 4.107 483 H LYS 71 HN LYS 71 22.002 -10.212 6.466 484 HA LYS 71 HA LYS 71 21.580 -8.738 8.964 485 HB2 LYS 71 HB2 LYS 71 20.302 -8.177 6.310 486 HB3 LYS 71 HB1 LYS 71 19.389 -7.897 7.788 487 HG2 LYS 71 HG2 LYS 71 22.043 -6.756 7.966 488 HG3 LYS 71 HG1 LYS 71 21.163 -6.131 6.570 489 HD2 LYS 71 HD2 LYS 71 19.369 -5.371 7.959 490 HD3 LYS 71 HD1 LYS 71 20.025 -6.223 9.363 491 HE2 LYS 71 HE2 LYS 71 21.880 -4.745 9.496 492 HE3 LYS 71 HE1 LYS 71 21.498 -4.001 7.944 493 HZ1 LYS 71 HZ1 LYS 71 19.438 -3.892 10.013 494 HZ2 LYS 71 HZ2 LYS 71 19.875 -2.734 8.858 495 HZ3 LYS 71 HZ3 LYS 71 20.812 -2.925 10.259 496 H VAL 72 HN VAL 72 21.718 -11.450 8.742 497 HA VAL 72 HA VAL 72 20.673 -13.416 9.129 498 HB VAL 72 HB VAL 72 18.470 -11.763 10.326 499 HG11 VAL 72 HG11 VAL 72 18.883 -14.506 10.214 500 HG12 VAL 72 HG12 VAL 72 17.760 -13.654 11.274 501 HG13 VAL 72 HG13 VAL 72 19.378 -14.060 11.849 502 HG21 VAL 72 HG21 VAL 72 21.022 -11.238 10.929 503 HG22 VAL 72 HG22 VAL 72 20.704 -12.538 12.076 504 HG23 VAL 72 HG23 VAL 72 19.696 -11.088 12.084 505 H ALA 73 HN ALA 73 20.267 -12.451 6.562 506 HA ALA 73 HA ALA 73 18.967 -12.660 4.702 507 HB1 ALA 73 HB1 ALA 73 18.486 -14.826 4.630 508 HB2 ALA 73 HB2 ALA 73 16.942 -14.446 5.394 509 HB3 ALA 73 HB3 ALA 73 18.327 -14.912 6.385 510 H CYS 74 HN CYS 74 18.446 -10.514 6.195 511 HA CYS 74 HA CYS 74 17.005 -8.915 6.844 512 HB2 CYS 74 HB2 CYS 74 15.200 -8.378 5.202 513 HB3 CYS 74 HB1 CYS 74 16.814 -8.518 4.514 514 H ALA 75 HN ALA 75 16.583 -11.051 8.425 515 HA ALA 75 HA ALA 75 13.668 -11.219 8.659 516 HB1 ALA 75 HB1 ALA 75 14.129 -13.178 10.160 517 HB2 ALA 75 HB2 ALA 75 15.824 -13.048 9.691 518 HB3 ALA 75 HB3 ALA 75 14.596 -13.402 8.473 519 H ALA 76 HN ALA 76 16.060 -9.389 9.738 520 HA ALA 76 HA ALA 76 15.810 -9.448 12.551 521 HB1 ALA 76 HB1 ALA 76 16.563 -6.849 11.544 522 HB2 ALA 76 HB2 ALA 76 17.419 -8.142 10.701 523 HB3 ALA 76 HB3 ALA 76 17.510 -8.025 12.457 524 H ALA 77 HN ALA 77 14.895 -6.640 10.569 525 HA ALA 77 HA ALA 77 12.784 -6.036 12.490 526 HB1 ALA 77 HB1 ALA 77 12.664 -3.895 11.047 527 HB2 ALA 77 HB2 ALA 77 14.183 -4.469 10.357 528 HB3 ALA 77 HB3 ALA 77 14.067 -4.148 12.088 529 H ILE 78 HN ILE 78 13.051 -7.575 9.528 530 HA ILE 78 HA ILE 78 10.458 -6.756 8.532 531 HB ILE 78 HB ILE 78 12.702 -8.426 7.463 532 HG12 ILE 78 HG12 ILE 78 11.156 -6.110 6.295 533 HG13 ILE 78 HG11 ILE 78 12.602 -5.922 7.296 534 HG21 ILE 78 HG21 ILE 78 10.154 -8.148 5.921 535 HG22 ILE 78 HG22 ILE 78 10.416 -9.521 6.998 536 HG23 ILE 78 HG23 ILE 78 11.519 -9.235 5.644 537 HD11 ILE 78 HD11 ILE 78 13.221 -5.740 4.991 538 HD12 ILE 78 HD12 ILE 78 12.432 -7.274 4.614 539 HD13 ILE 78 HD13 ILE 78 13.871 -7.249 5.631 540 H ALA 79 HN ALA 79 11.986 -9.755 9.690 541 HA ALA 79 HA ALA 79 9.462 -11.138 9.611 542 HB1 ALA 79 HB1 ALA 79 10.723 -13.049 10.543 543 HB2 ALA 79 HB2 ALA 79 12.155 -12.021 10.627 544 HB3 ALA 79 HB3 ALA 79 11.437 -12.406 9.063 545 H GLY 80 HN GLY 80 11.192 -9.228 11.838 546 HA2 GLY 80 HA2 GLY 80 10.113 -10.406 14.224 547 HA3 GLY 80 HA1 GLY 80 10.989 -8.885 14.114 548 H ALA 81 HN ALA 81 9.089 -7.966 11.975 549 HA ALA 81 HA ALA 81 7.157 -6.840 13.783 550 HB1 ALA 81 HB1 ALA 81 6.605 -6.108 11.094 551 HB2 ALA 81 HB2 ALA 81 8.349 -6.038 11.351 552 HB3 ALA 81 HB3 ALA 81 7.264 -5.119 12.396 553 H VAL 82 HN VAL 82 7.315 -9.586 11.881 554 HA VAL 82 HA VAL 82 4.665 -9.761 10.929 555 HB VAL 82 HB VAL 82 6.748 -11.877 11.511 556 HG11 VAL 82 HG11 VAL 82 4.606 -12.468 9.605 557 HG12 VAL 82 HG12 VAL 82 4.118 -12.395 11.298 558 HG13 VAL 82 HG13 VAL 82 5.392 -13.505 10.794 559 HG21 VAL 82 HG21 VAL 82 6.990 -10.015 9.671 560 HG22 VAL 82 HG22 VAL 82 5.889 -11.067 8.777 561 HG23 VAL 82 HG23 VAL 82 7.442 -11.687 9.339 562 H ALA 83 HN ALA 83 6.296 -10.692 13.901 563 HA ALA 83 HA ALA 83 4.017 -12.044 15.016 564 HB1 ALA 83 HB1 ALA 83 6.298 -12.735 15.578 565 HB2 ALA 83 HB2 ALA 83 5.388 -12.274 17.017 566 HB3 ALA 83 HB3 ALA 83 6.584 -11.168 16.338 567 H ALA 84 HN ALA 84 4.265 -8.967 14.329 568 HA ALA 84 HA ALA 84 3.194 -7.984 16.866 569 HB1 ALA 84 HB1 ALA 84 3.899 -5.809 16.310 570 HB2 ALA 84 HB2 ALA 84 4.162 -6.241 14.622 571 HB3 ALA 84 HB3 ALA 84 5.243 -6.861 15.873 572 H CYS 85 HN CYS 85 2.728 -7.785 13.340 573 HA CYS 85 HA CYS 85 0.060 -6.686 13.735 574 HB2 CYS 85 HB2 CYS 85 1.493 -7.399 11.170 575 HB3 CYS 85 HB1 CYS 85 -0.023 -6.512 11.298 576 H GLY 86 HN GLY 86 1.435 -9.742 13.588 577 HA2 GLY 86 HA2 GLY 86 0.298 -11.767 13.811 578 HA3 GLY 86 HA1 GLY 86 -1.190 -10.952 13.353 579 H GLY 87 HN GLY 87 1.914 -11.145 11.649 580 HA2 GLY 87 HA2 GLY 87 1.963 -12.982 9.879 581 HA3 GLY 87 HA1 GLY 87 0.440 -12.277 9.358 582 H ILE 88 HN ILE 88 2.278 -12.420 7.478 583 HA ILE 88 HA ILE 88 3.978 -10.104 7.364 584 HB ILE 88 HB ILE 88 4.852 -11.894 6.164 585 HG12 ILE 88 HG12 ILE 88 3.720 -9.720 4.532 586 HG13 ILE 88 HG11 ILE 88 5.377 -10.315 4.629 587 HG21 ILE 88 HG21 ILE 88 3.442 -13.577 5.799 588 HG22 ILE 88 HG22 ILE 88 3.143 -12.817 4.236 589 HG23 ILE 88 HG23 ILE 88 2.059 -12.502 5.593 590 HD11 ILE 88 HD11 ILE 88 4.189 -12.339 3.296 591 HD12 ILE 88 HD12 ILE 88 4.983 -10.966 2.519 592 HD13 ILE 88 HD13 ILE 88 3.231 -10.966 2.745 593 H ASP 89 HN ASP 89 3.663 -8.226 6.392 594 HA ASP 89 HA ASP 89 1.412 -7.756 4.641 595 HB2 ASP 89 HB2 ASP 89 0.561 -7.519 7.028 596 HB3 ASP 89 HB1 ASP 89 1.658 -6.157 7.202 597 H LEU 90 HN LEU 90 2.065 -4.934 6.029 598 HA LEU 90 HA LEU 90 4.570 -4.045 5.415 599 HB2 LEU 90 HB2 LEU 90 4.241 -4.635 3.091 600 HB3 LEU 90 HB1 LEU 90 2.734 -3.739 3.035 601 HG LEU 90 HG LEU 90 3.927 -1.633 3.276 602 HD11 LEU 90 HD11 LEU 90 6.324 -3.404 3.616 603 HD12 LEU 90 HD12 LEU 90 5.778 -2.063 4.630 604 HD13 LEU 90 HD13 LEU 90 6.479 -1.745 3.040 605 HD21 LEU 90 HD21 LEU 90 4.739 -3.526 1.117 606 HD22 LEU 90 HD22 LEU 90 5.432 -1.906 1.168 607 HD23 LEU 90 HD23 LEU 90 3.686 -2.115 1.040 608 HA PRO 91 HA PRO 91 1.443 -0.199 5.459 609 HB2 PRO 91 HB2 PRO 91 -0.997 -1.718 6.209 610 HB3 PRO 91 HB1 PRO 91 -0.830 -0.284 5.189 611 HG2 PRO 91 HG2 PRO 91 -1.289 -2.682 4.119 612 HG3 PRO 91 HG1 PRO 91 -0.205 -1.517 3.332 613 HD2 PRO 91 HD2 PRO 91 0.451 -3.970 4.893 614 HD3 PRO 91 HD1 PRO 91 1.265 -3.276 3.476 615 H CYS 92 HN CYS 92 1.256 -3.030 7.481 616 HA CYS 92 HA CYS 92 1.025 -1.335 9.849 617 HB2 CYS 92 HB2 CYS 92 -0.720 -2.988 9.783 618 HB3 CYS 92 HB1 CYS 92 0.432 -4.270 9.430 619 H VAL 93 HN VAL 93 2.930 -3.800 8.272 620 HA VAL 93 HA VAL 93 4.742 -4.320 10.365 621 HB VAL 93 HB VAL 93 5.061 -4.728 7.385 622 HG11 VAL 93 HG11 VAL 93 6.822 -6.086 7.789 623 HG12 VAL 93 HG12 VAL 93 6.233 -6.555 9.384 624 HG13 VAL 93 HG13 VAL 93 7.012 -4.989 9.156 625 HG21 VAL 93 HG21 VAL 93 3.347 -6.007 9.354 626 HG22 VAL 93 HG22 VAL 93 4.394 -7.149 8.509 627 HG23 VAL 93 HG23 VAL 93 3.313 -6.097 7.594 628 H LEU 94 HN LEU 94 4.499 -1.663 8.182 629 HA LEU 94 HA LEU 94 7.201 -1.001 7.833 630 HB2 LEU 94 HB2 LEU 94 6.483 0.944 6.881 631 HB3 LEU 94 HB1 LEU 94 5.007 0.003 6.787 632 HG LEU 94 HG LEU 94 5.591 2.035 8.947 633 HD11 LEU 94 HD11 LEU 94 5.402 3.037 6.695 634 HD12 LEU 94 HD12 LEU 94 4.108 3.524 7.789 635 HD13 LEU 94 HD13 LEU 94 3.801 2.315 6.541 636 HD21 LEU 94 HD21 LEU 94 2.825 1.328 8.365 637 HD22 LEU 94 HD22 LEU 94 3.658 1.467 9.914 638 HD23 LEU 94 HD23 LEU 94 3.778 -0.022 8.977 639 H ALA 95 HN ALA 95 5.255 -0.852 10.638 640 HA ALA 95 HA ALA 95 6.352 1.317 12.025 641 HB1 ALA 95 HB1 ALA 95 4.670 -0.957 12.647 642 HB2 ALA 95 HB2 ALA 95 4.667 0.672 13.323 643 HB3 ALA 95 HB3 ALA 95 5.756 -0.554 13.977 644 H ALA 96 HN ALA 96 7.537 -1.982 11.647 645 HA ALA 96 HA ALA 96 9.758 -1.366 13.467 646 HB1 ALA 96 HB1 ALA 96 9.993 -4.009 12.514 647 HB2 ALA 96 HB2 ALA 96 8.290 -3.751 12.892 648 HB3 ALA 96 HB3 ALA 96 9.516 -3.471 14.128 649 H LEU 97 HN LEU 97 9.025 -1.112 10.276 650 HA LEU 97 HA LEU 97 11.652 -1.882 9.265 651 HB2 LEU 97 HB2 LEU 97 9.496 -2.404 8.048 652 HB3 LEU 97 HB1 LEU 97 9.334 -0.688 7.745 653 HG LEU 97 HG LEU 97 11.499 -0.745 6.507 654 HD11 LEU 97 HD11 LEU 97 12.768 -2.529 7.070 655 HD12 LEU 97 HD12 LEU 97 11.910 -3.267 5.718 656 HD13 LEU 97 HD13 LEU 97 11.374 -3.569 7.371 657 HD21 LEU 97 HD21 LEU 97 9.274 -2.540 5.540 658 HD22 LEU 97 HD22 LEU 97 10.576 -1.917 4.527 659 HD23 LEU 97 HD23 LEU 97 9.436 -0.803 5.280 660 H LYS 98 HN LYS 98 10.508 0.673 10.880 661 HA LYS 98 HA LYS 98 11.466 2.843 9.271 662 HB2 LYS 98 HB2 LYS 98 9.685 3.189 10.930 663 HB3 LYS 98 HB1 LYS 98 10.799 2.759 12.221 664 HG2 LYS 98 HG2 LYS 98 12.124 4.703 11.825 665 HG3 LYS 98 HG1 LYS 98 11.217 5.088 10.360 666 HD2 LYS 98 HD2 LYS 98 10.033 5.006 13.133 667 HD3 LYS 98 HD1 LYS 98 10.589 6.473 12.320 668 HE2 LYS 98 HE2 LYS 98 9.002 5.873 10.439 669 HE3 LYS 98 HE1 LYS 98 8.327 4.652 11.518 670 HZ1 LYS 98 HZ1 LYS 98 7.978 6.537 13.144 671 HZ2 LYS 98 HZ2 LYS 98 6.993 6.551 11.758 672 HZ3 LYS 98 HZ3 LYS 98 8.326 7.593 11.858 673 H ALA 99 HN ALA 99 13.388 3.887 9.346 674 HA ALA 99 HA ALA 99 15.605 4.232 9.650 675 HB1 ALA 99 HB1 ALA 99 14.618 4.430 12.113 676 HB2 ALA 99 HB2 ALA 99 16.347 4.533 11.781 677 HB3 ALA 99 HB3 ALA 99 15.650 3.020 12.360 678 H ALA 100 HN ALA 100 17.253 2.486 11.486 679 HA ALA 100 HA ALA 100 18.644 0.702 11.290 680 HB1 ALA 100 HB1 ALA 100 17.182 -0.889 11.917 681 HB2 ALA 100 HB2 ALA 100 17.322 -1.392 10.233 682 HB3 ALA 100 HB3 ALA 100 15.965 -0.387 10.739 683 H GLU 101 HN GLU 101 18.486 2.565 9.068 684 HA GLU 101 HA GLU 101 19.417 2.891 7.038 685 HB2 GLU 101 HB2 GLU 101 20.478 0.094 7.461 686 HB3 GLU 101 HB1 GLU 101 20.992 1.173 6.169 687 HG2 GLU 101 HG2 GLU 101 21.944 2.706 7.704 688 HG3 GLU 101 HG1 GLU 101 21.195 1.894 9.078 689 H GLY 102 HN GLY 102 16.730 1.533 7.368 690 HA2 GLY 102 HA2 GLY 102 15.075 1.204 5.765 691 HA3 GLY 102 HA1 GLY 102 16.322 1.098 4.533 692 H CYS 103 HN CYS 103 17.445 -0.893 4.266 693 HA CYS 103 HA CYS 103 17.631 -3.150 4.073 694 HB2 CYS 103 HB2 CYS 103 15.958 -3.221 6.591 695 HB3 CYS 103 HB1 CYS 103 16.780 -4.605 5.884 696 H ALA 104 HN ALA 104 15.587 -1.774 2.658 697 HA ALA 104 HA ALA 104 13.368 -3.701 2.666 698 HB1 ALA 104 HB1 ALA 104 13.340 -0.951 2.534 699 HB2 ALA 104 HB2 ALA 104 12.001 -2.024 2.127 700 HB3 ALA 104 HB3 ALA 104 13.082 -1.440 0.860 701 H SER 105 HN SER 105 16.140 -3.990 1.449 702 HA SER 105 HA SER 105 15.845 -3.972 -1.371 703 HB2 SER 105 HB2 SER 105 17.883 -5.665 -1.053 704 HB3 SER 105 HB1 SER 105 18.063 -3.926 -0.822 705 HG SER 105 HG SER 105 18.529 -4.301 1.180 706 H CYS 106 HN CYS 106 15.165 -6.387 1.094 707 HA CYS 106 HA CYS 106 14.537 -8.325 -1.032 708 HB2 CYS 106 HB2 CYS 106 14.710 -10.045 0.539 709 HB3 CYS 106 HB1 CYS 106 15.958 -8.923 1.063 710 H PHE 107 HN PHE 107 13.173 -6.396 1.482 711 HA PHE 107 HA PHE 107 10.598 -7.667 1.435 712 HB2 PHE 107 HB2 PHE 107 11.725 -6.527 3.409 713 HB3 PHE 107 HB1 PHE 107 11.296 -5.002 2.648 714 HD1 PHE 107 HD2 PHE 107 8.694 -7.058 1.768 715 HD2 PHE 107 HD1 PHE 107 10.374 -5.162 5.182 716 HE1 PHE 107 HE2 PHE 107 6.507 -7.136 2.882 717 HE2 PHE 107 HE1 PHE 107 8.217 -5.253 6.309 718 HZ PHE 107 HZ PHE 107 6.260 -6.231 5.145 719 H CYS 108 HN CYS 108 10.861 -4.187 1.339 720 HA CYS 108 HA CYS 108 8.730 -3.914 -0.511 721 HB2 CYS 108 HB2 CYS 108 10.721 -1.806 0.309 722 HB3 CYS 108 HB1 CYS 108 9.109 -1.545 -0.343 723 H GLU 109 HN GLU 109 10.748 -5.422 -1.772 724 HA GLU 109 HA GLU 109 12.235 -3.698 -3.517 725 HB2 GLU 109 HB2 GLU 109 12.897 -6.031 -2.780 726 HB3 GLU 109 HB1 GLU 109 11.633 -6.652 -3.826 727 HG2 GLU 109 HG2 GLU 109 13.757 -6.813 -4.940 728 HG3 GLU 109 HG1 GLU 109 12.725 -5.649 -5.765 729 H ASP 110 HN ASP 110 9.531 -5.959 -3.907 730 HA ASP 110 HA ASP 110 8.835 -4.721 -6.469 731 HB2 ASP 110 HB2 ASP 110 9.025 -7.292 -5.963 732 HB3 ASP 110 HB1 ASP 110 7.419 -7.083 -5.277 733 H HIS 111 HN HIS 111 8.250 -4.209 -3.332 734 HA HIS 111 HA HIS 111 5.421 -3.438 -3.690 735 HB2 HIS 111 HB2 HIS 111 6.826 -3.663 -1.028 736 HB3 HIS 111 HB1 HIS 111 5.100 -3.702 -1.358 737 HD2 HIS 111 HD2 HIS 111 7.710 -6.131 -0.345 738 HE1 HIS 111 HE1 HIS 111 4.981 -8.400 -2.686 739 HE2 HIS 111 HE2 HIS 111 6.775 -8.489 -0.918 740 H CYS 112 HN CYS 112 5.917 -1.373 -4.672 741 HA CYS 112 HA CYS 112 7.051 0.533 -2.738 742 HB2 CYS 112 HB2 CYS 112 7.763 0.354 -5.663 743 HB3 CYS 112 HB1 CYS 112 8.241 1.672 -4.598 744 H HIS 113 HN HIS 113 4.241 0.438 -3.065 745 HA HIS 113 HA HIS 113 3.960 3.046 -4.290 746 HB2 HIS 113 HB2 HIS 113 1.939 2.587 -5.448 747 HB3 HIS 113 HB1 HIS 113 3.167 1.472 -5.993 748 HD2 HIS 113 HD2 HIS 113 1.883 -0.791 -6.590 749 HE1 HIS 113 HE1 HIS 113 -0.975 -0.800 -3.458 750 HE2 HIS 113 HE2 HIS 113 -0.193 -1.953 -5.555 751 H GLY 114 HN GLY 114 3.648 1.304 -1.601 752 HA2 GLY 114 HA2 GLY 114 1.927 3.335 -0.450 753 HA3 GLY 114 HA1 GLY 114 1.299 1.696 -0.375 754 H VAL 115 HN VAL 115 2.130 3.615 1.683 755 HA VAL 115 HA VAL 115 3.202 3.851 3.624 756 HB VAL 115 HB VAL 115 3.418 1.868 5.075 757 HG11 VAL 115 HG11 VAL 115 1.318 3.117 4.881 758 HG12 VAL 115 HG12 VAL 115 1.048 1.401 5.209 759 HG13 VAL 115 HG13 VAL 115 0.815 2.040 3.582 760 HG21 VAL 115 HG21 VAL 115 3.140 -0.275 4.432 761 HG22 VAL 115 HG22 VAL 115 3.816 0.362 2.932 762 HG23 VAL 115 HG23 VAL 115 2.073 0.145 3.093 763 H CYS 116 HN CYS 116 5.005 1.274 1.882 764 HA CYS 116 HA CYS 116 7.357 1.803 3.433 765 HB2 CYS 116 HB2 CYS 116 6.705 -0.342 2.092 766 HB3 CYS 116 HB1 CYS 116 7.460 0.494 0.740 767 H LYS 117 HN LYS 117 5.942 3.112 0.580 768 HA LYS 117 HA LYS 117 8.332 4.396 -0.346 769 HB2 LYS 117 HB2 LYS 117 6.877 4.008 -2.105 770 HB3 LYS 117 HB1 LYS 117 5.450 4.383 -1.147 771 HG2 LYS 117 HG2 LYS 117 5.823 6.693 -1.318 772 HG3 LYS 117 HG1 LYS 117 7.442 6.461 -1.969 773 HD2 LYS 117 HD2 LYS 117 4.991 5.476 -3.400 774 HD3 LYS 117 HD1 LYS 117 5.590 7.122 -3.604 775 HE2 LYS 117 HE2 LYS 117 7.801 6.145 -4.258 776 HE3 LYS 117 HE1 LYS 117 7.043 4.552 -4.232 777 HZ1 LYS 117 HZ1 LYS 117 6.923 6.577 -6.241 778 HZ2 LYS 117 HZ2 LYS 117 5.373 6.074 -5.773 779 HZ3 LYS 117 HZ3 LYS 117 6.499 4.938 -6.341 780 H ASP 118 HN ASP 118 5.851 5.003 1.943 781 HA ASP 118 HA ASP 118 5.988 7.825 2.111 782 HB2 ASP 118 HB2 ASP 118 4.163 6.494 3.117 783 HB3 ASP 118 HB1 ASP 118 5.308 5.779 4.244 784 H LEU 119 HN LEU 119 7.744 5.180 3.607 785 HA LEU 119 HA LEU 119 9.440 6.930 5.169 786 HB2 LEU 119 HB2 LEU 119 9.842 3.988 4.602 787 HB3 LEU 119 HB1 LEU 119 10.550 4.924 5.903 788 HG LEU 119 HG LEU 119 7.631 4.185 5.639 789 HD11 LEU 119 HD11 LEU 119 8.015 2.770 7.547 790 HD12 LEU 119 HD12 LEU 119 9.698 3.287 7.641 791 HD13 LEU 119 HD13 LEU 119 9.144 2.330 6.266 792 HD21 LEU 119 HD21 LEU 119 7.168 5.798 7.082 793 HD22 LEU 119 HD22 LEU 119 8.852 6.321 7.049 794 HD23 LEU 119 HD23 LEU 119 8.326 5.116 8.225 795 H HIS 120 HN HIS 120 9.329 5.499 2.075 796 HA HIS 120 HA HIS 120 10.613 5.592 0.220 797 HB2 HIS 120 HB2 HIS 120 10.843 8.045 1.146 798 HB3 HIS 120 HB1 HIS 120 12.495 7.546 1.493 799 HD2 HIS 120 HD2 HIS 120 10.667 9.195 -1.269 800 HE1 HIS 120 HE1 HIS 120 13.831 7.115 -3.186 801 HE2 HIS 120 HE2 HIS 120 11.924 8.745 -3.488 802 H LEU 121 HN LEU 121 11.239 3.407 0.744 803 HA LEU 121 HA LEU 121 14.046 3.226 1.549 804 HB2 LEU 121 HB2 LEU 121 11.880 1.212 2.116 805 HB3 LEU 121 HB1 LEU 121 13.572 1.040 2.544 806 HG LEU 121 HG LEU 121 11.707 3.153 3.636 807 HD11 LEU 121 HD11 LEU 121 12.912 1.154 5.419 808 HD12 LEU 121 HD12 LEU 121 11.693 0.532 4.306 809 HD13 LEU 121 HD13 LEU 121 11.289 1.846 5.410 810 HD21 LEU 121 HD21 LEU 121 14.369 2.505 4.798 811 HD22 LEU 121 HD22 LEU 121 13.443 4.004 4.860 812 HD23 LEU 121 HD23 LEU 121 14.287 3.553 3.380 813 H CYS 122 HN CYS 122 11.955 2.712 -1.023 814 HA CYS 122 HA CYS 122 13.942 0.935 -2.254 815 HB2 CYS 122 HB2 CYS 122 12.165 -0.278 -3.469 816 HB3 CYS 122 HB1 CYS 122 12.074 -0.549 -1.736 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -28.700 0.264 -1.361 2 H2 ALA 1 HT2 ALA 1 -29.784 -0.764 -2.217 3 H3 ALA 1 HT3 ALA 1 -28.135 -1.209 -2.035 4 HA ALA 1 HA ALA 1 -28.598 -1.073 0.433 5 HB1 ALA 1 HB1 ALA 1 -31.228 -2.054 0.264 6 HB2 ALA 1 HB2 ALA 1 -31.197 -0.560 -0.673 7 HB3 ALA 1 HB3 ALA 1 -30.682 -0.551 1.014 8 H MET 2 HN MET 2 -29.119 -3.175 1.479 9 HA MET 2 HA MET 2 -28.828 -5.408 1.672 10 HB2 MET 2 HB2 MET 2 -30.949 -5.435 0.359 11 HB3 MET 2 HB1 MET 2 -29.996 -5.559 -1.114 12 HG2 MET 2 HG2 MET 2 -29.108 -7.696 -0.392 13 HG3 MET 2 HG1 MET 2 -29.987 -7.568 1.131 14 HE1 MET 2 HE1 MET 2 -30.657 -9.944 0.617 15 HE2 MET 2 HE2 MET 2 -30.370 -10.191 -1.106 16 HE3 MET 2 HE3 MET 2 -31.989 -10.406 -0.441 17 H GLY 3 HN GLY 3 -26.518 -4.802 1.578 18 HA2 GLY 3 HA2 GLY 3 -25.024 -6.633 0.131 19 HA3 GLY 3 HA1 GLY 3 -25.022 -5.148 -0.809 20 H LYS 4 HN LYS 4 -22.633 -5.564 -0.282 21 HA LYS 4 HA LYS 4 -21.971 -4.314 2.304 22 HB2 LYS 4 HB2 LYS 4 -20.405 -6.215 0.564 23 HB3 LYS 4 HB1 LYS 4 -19.633 -5.251 1.810 24 HG2 LYS 4 HG2 LYS 4 -19.992 -7.308 2.820 25 HG3 LYS 4 HG1 LYS 4 -21.315 -6.306 3.418 26 HD2 LYS 4 HD2 LYS 4 -22.839 -7.297 1.827 27 HD3 LYS 4 HD1 LYS 4 -21.527 -8.224 1.095 28 HE2 LYS 4 HE2 LYS 4 -22.505 -8.496 3.939 29 HE3 LYS 4 HE1 LYS 4 -22.894 -9.589 2.612 30 HZ1 LYS 4 HZ1 LYS 4 -20.415 -9.325 4.135 31 HZ2 LYS 4 HZ2 LYS 4 -20.253 -9.658 2.472 32 HZ3 LYS 4 HZ3 LYS 4 -21.149 -10.708 3.468 33 H CYS 5 HN CYS 5 -22.542 -3.315 -0.640 34 HA CYS 5 HA CYS 5 -20.669 -1.129 -0.460 35 HB2 CYS 5 HB2 CYS 5 -19.728 -3.221 -1.854 36 HB3 CYS 5 HB1 CYS 5 -20.635 -2.421 -3.133 37 H SER 6 HN SER 6 -21.146 -0.548 -3.395 38 HA SER 6 HA SER 6 -23.751 0.682 -2.995 39 HB2 SER 6 HB2 SER 6 -21.898 1.138 -5.331 40 HB3 SER 6 HB1 SER 6 -23.153 2.209 -4.701 41 HG SER 6 HG SER 6 -21.494 3.066 -3.688 42 H VAL 7 HN VAL 7 -23.697 0.822 -6.165 43 HA VAL 7 HA VAL 7 -25.252 -1.657 -6.462 44 HB VAL 7 HB VAL 7 -26.357 -0.465 -8.399 45 HG11 VAL 7 HG11 VAL 7 -26.642 0.591 -5.591 46 HG12 VAL 7 HG12 VAL 7 -27.541 -0.728 -6.343 47 HG13 VAL 7 HG13 VAL 7 -27.786 0.932 -6.889 48 HG21 VAL 7 HG21 VAL 7 -24.374 1.352 -8.182 49 HG22 VAL 7 HG22 VAL 7 -25.632 2.142 -7.230 50 HG23 VAL 7 HG23 VAL 7 -25.948 1.696 -8.907 51 H LEU 8 HN LEU 8 -22.537 0.071 -7.781 52 HA LEU 8 HA LEU 8 -22.430 -1.836 -10.027 53 HB2 LEU 8 HB2 LEU 8 -22.297 0.548 -10.660 54 HB3 LEU 8 HB1 LEU 8 -20.903 0.746 -9.616 55 HG LEU 8 HG LEU 8 -19.656 -0.871 -11.052 56 HD11 LEU 8 HD11 LEU 8 -20.490 -1.715 -13.030 57 HD12 LEU 8 HD12 LEU 8 -21.789 -0.524 -13.117 58 HD13 LEU 8 HD13 LEU 8 -21.877 -1.843 -11.950 59 HD21 LEU 8 HD21 LEU 8 -19.328 1.488 -11.373 60 HD22 LEU 8 HD22 LEU 8 -20.774 1.588 -12.382 61 HD23 LEU 8 HD23 LEU 8 -19.363 0.687 -12.945 62 H LYS 9 HN LYS 9 -20.521 -0.435 -7.426 63 HA LYS 9 HA LYS 9 -18.501 -2.491 -7.794 64 HB2 LYS 9 HB2 LYS 9 -17.894 -1.130 -5.440 65 HB3 LYS 9 HB1 LYS 9 -17.189 -0.846 -7.026 66 HG2 LYS 9 HG2 LYS 9 -19.415 0.654 -7.246 67 HG3 LYS 9 HG1 LYS 9 -19.150 0.751 -5.504 68 HD2 LYS 9 HD2 LYS 9 -17.998 2.592 -6.444 69 HD3 LYS 9 HD1 LYS 9 -16.760 1.405 -6.030 70 HE2 LYS 9 HE2 LYS 9 -16.750 0.648 -8.385 71 HE3 LYS 9 HE1 LYS 9 -17.925 1.904 -8.773 72 HZ1 LYS 9 HZ1 LYS 9 -15.170 2.131 -8.771 73 HZ2 LYS 9 HZ2 LYS 9 -15.683 3.017 -7.426 74 HZ3 LYS 9 HZ3 LYS 9 -16.298 3.385 -8.962 75 H LYS 10 HN LYS 10 -21.254 -3.110 -7.125 76 HA LYS 10 HA LYS 10 -21.288 -3.974 -4.384 77 HB2 LYS 10 HB2 LYS 10 -23.458 -4.940 -4.895 78 HB3 LYS 10 HB1 LYS 10 -23.376 -3.309 -5.545 79 HG2 LYS 10 HG2 LYS 10 -23.048 -4.150 -7.774 80 HG3 LYS 10 HG1 LYS 10 -22.910 -5.804 -7.168 81 HD2 LYS 10 HD2 LYS 10 -25.365 -4.070 -6.896 82 HD3 LYS 10 HD1 LYS 10 -25.138 -5.300 -8.142 83 HE2 LYS 10 HE2 LYS 10 -24.893 -7.006 -6.378 84 HE3 LYS 10 HE1 LYS 10 -25.178 -5.762 -5.161 85 HZ1 LYS 10 HZ1 LYS 10 -27.384 -5.657 -5.639 86 HZ2 LYS 10 HZ2 LYS 10 -27.111 -7.281 -6.053 87 HZ3 LYS 10 HZ3 LYS 10 -27.189 -6.098 -7.273 88 H VAL 11 HN VAL 11 -19.638 -5.057 -6.938 89 HA VAL 11 HA VAL 11 -20.088 -7.877 -6.751 90 HB VAL 11 HB VAL 11 -17.463 -6.720 -7.647 91 HG11 VAL 11 HG11 VAL 11 -18.043 -9.226 -7.536 92 HG12 VAL 11 HG12 VAL 11 -17.315 -8.603 -9.020 93 HG13 VAL 11 HG13 VAL 11 -19.053 -8.905 -8.947 94 HG21 VAL 11 HG21 VAL 11 -19.969 -6.765 -9.328 95 HG22 VAL 11 HG22 VAL 11 -18.371 -6.214 -9.826 96 HG23 VAL 11 HG23 VAL 11 -19.275 -5.316 -8.608 97 H ALA 12 HN ALA 12 -19.398 -6.079 -4.366 98 HA ALA 12 HA ALA 12 -18.656 -6.379 -2.288 99 HB1 ALA 12 HB1 ALA 12 -17.276 -8.930 -2.908 100 HB2 ALA 12 HB2 ALA 12 -19.040 -8.855 -2.943 101 HB3 ALA 12 HB3 ALA 12 -18.169 -8.448 -1.463 102 H CYS 13 HN CYS 13 -16.588 -6.279 -4.911 103 HA CYS 13 HA CYS 13 -14.689 -4.647 -3.741 104 HB2 CYS 13 HB2 CYS 13 -12.747 -6.219 -3.454 105 HB3 CYS 13 HB1 CYS 13 -14.019 -6.400 -2.252 106 H ALA 14 HN ALA 14 -15.257 -7.224 -6.017 107 HA ALA 14 HA ALA 14 -13.059 -6.885 -7.682 108 HB1 ALA 14 HB1 ALA 14 -15.835 -7.795 -8.394 109 HB2 ALA 14 HB2 ALA 14 -14.468 -8.797 -7.902 110 HB3 ALA 14 HB3 ALA 14 -14.429 -7.945 -9.448 111 H ALA 15 HN ALA 15 -15.898 -4.836 -7.527 112 HA ALA 15 HA ALA 15 -14.946 -3.475 -9.959 113 HB1 ALA 15 HB1 ALA 15 -17.054 -3.276 -10.610 114 HB2 ALA 15 HB2 ALA 15 -17.510 -2.520 -9.082 115 HB3 ALA 15 HB3 ALA 15 -17.524 -4.279 -9.235 116 H ALA 16 HN ALA 16 -13.813 -3.113 -7.257 117 HA ALA 16 HA ALA 16 -13.958 -0.207 -7.238 118 HB1 ALA 16 HB1 ALA 16 -15.737 -1.048 -5.647 119 HB2 ALA 16 HB2 ALA 16 -14.544 0.052 -4.959 120 HB3 ALA 16 HB3 ALA 16 -14.427 -1.679 -4.654 121 H ILE 17 HN ILE 17 -12.735 -3.004 -5.453 122 HA ILE 17 HA ILE 17 -10.310 -1.722 -4.665 123 HB ILE 17 HB ILE 17 -11.324 -4.561 -4.526 124 HG12 ILE 17 HG12 ILE 17 -10.701 -2.616 -2.308 125 HG13 ILE 17 HG11 ILE 17 -12.270 -2.643 -3.124 126 HG21 ILE 17 HG21 ILE 17 -9.430 -5.325 -3.490 127 HG22 ILE 17 HG22 ILE 17 -8.925 -3.717 -2.972 128 HG23 ILE 17 HG23 ILE 17 -8.711 -4.211 -4.653 129 HD11 ILE 17 HD11 ILE 17 -12.308 -5.122 -2.506 130 HD12 ILE 17 HD12 ILE 17 -12.588 -3.935 -1.234 131 HD13 ILE 17 HD13 ILE 17 -11.013 -4.713 -1.389 132 H ALA 18 HN ALA 18 -11.243 -4.097 -7.109 133 HA ALA 18 HA ALA 18 -8.657 -4.586 -8.108 134 HB1 ALA 18 HB1 ALA 18 -10.759 -5.943 -8.554 135 HB2 ALA 18 HB2 ALA 18 -9.683 -5.679 -9.927 136 HB3 ALA 18 HB3 ALA 18 -11.159 -4.726 -9.767 137 H GLY 19 HN GLY 19 -10.993 -2.066 -8.680 138 HA2 GLY 19 HA2 GLY 19 -9.631 -0.997 -10.993 139 HA3 GLY 19 HA1 GLY 19 -10.999 -0.274 -10.157 140 H ALA 20 HN ALA 20 -9.679 -0.450 -7.540 141 HA ALA 20 HA ALA 20 -8.348 2.060 -7.585 142 HB1 ALA 20 HB1 ALA 20 -8.352 0.088 -5.312 143 HB2 ALA 20 HB2 ALA 20 -9.706 1.160 -5.670 144 HB3 ALA 20 HB3 ALA 20 -8.139 1.837 -5.229 145 H VAL 21 HN VAL 21 -7.354 -1.219 -7.844 146 HA VAL 21 HA VAL 21 -4.673 -0.994 -7.031 147 HB VAL 21 HB VAL 21 -6.100 -2.909 -8.888 148 HG11 VAL 21 HG11 VAL 21 -4.031 -4.339 -8.540 149 HG12 VAL 21 HG12 VAL 21 -3.230 -2.855 -8.030 150 HG13 VAL 21 HG13 VAL 21 -3.891 -2.987 -9.657 151 HG21 VAL 21 HG21 VAL 21 -6.544 -2.843 -6.361 152 HG22 VAL 21 HG22 VAL 21 -4.918 -3.517 -6.199 153 HG23 VAL 21 HG23 VAL 21 -6.157 -4.400 -7.094 154 H ALA 22 HN ALA 22 -6.282 -0.750 -10.184 155 HA ALA 22 HA ALA 22 -3.906 -0.183 -11.644 156 HB1 ALA 22 HB1 ALA 22 -6.829 0.076 -12.291 157 HB2 ALA 22 HB2 ALA 22 -5.679 -1.133 -12.869 158 HB3 ALA 22 HB3 ALA 22 -5.559 0.537 -13.427 159 H ALA 23 HN ALA 23 -5.960 1.688 -9.658 160 HA ALA 23 HA ALA 23 -5.390 4.211 -10.906 161 HB1 ALA 23 HB1 ALA 23 -6.397 4.237 -8.146 162 HB2 ALA 23 HB2 ALA 23 -7.408 3.379 -9.308 163 HB3 ALA 23 HB3 ALA 23 -6.992 5.070 -9.585 164 H CYS 24 HN CYS 24 -4.465 2.646 -7.825 165 HA CYS 24 HA CYS 24 -2.574 4.716 -7.186 166 HB2 CYS 24 HB2 CYS 24 -3.739 3.371 -5.430 167 HB3 CYS 24 HB1 CYS 24 -2.825 1.960 -5.952 168 H GLY 25 HN GLY 25 -2.478 1.562 -8.712 169 HA2 GLY 25 HA2 GLY 25 -0.772 1.154 -10.372 170 HA3 GLY 25 HA1 GLY 25 0.331 2.102 -9.389 171 H GLY 26 HN GLY 26 -1.848 -0.388 -8.194 172 HA2 GLY 26 HA2 GLY 26 -0.571 -2.697 -8.195 173 HA3 GLY 26 HA1 GLY 26 0.474 -1.795 -7.105 174 H ILE 27 HN ILE 27 -1.105 -4.170 -6.534 175 HA ILE 27 HA ILE 27 -3.305 -3.245 -4.907 176 HB ILE 27 HB ILE 27 -3.396 -5.413 -6.136 177 HG12 ILE 27 HG12 ILE 27 -4.630 -4.808 -3.889 178 HG13 ILE 27 HG11 ILE 27 -4.761 -6.421 -4.580 179 HG21 ILE 27 HG21 ILE 27 -1.685 -6.816 -6.044 180 HG22 ILE 27 HG22 ILE 27 -2.096 -7.155 -4.365 181 HG23 ILE 27 HG23 ILE 27 -0.936 -5.885 -4.746 182 HD11 ILE 27 HD11 ILE 27 -4.107 -7.224 -2.629 183 HD12 ILE 27 HD12 ILE 27 -3.758 -5.606 -2.023 184 HD13 ILE 27 HD13 ILE 27 -2.526 -6.500 -2.912 185 H ASP 28 HN ASP 28 -3.293 -2.861 -2.803 186 HA ASP 28 HA ASP 28 -1.216 -3.807 -1.042 187 HB2 ASP 28 HB2 ASP 28 -0.254 -1.773 -2.246 188 HB3 ASP 28 HB1 ASP 28 -1.493 -0.817 -1.444 189 H LEU 29 HN LEU 29 -2.314 -0.860 0.006 190 HA LEU 29 HA LEU 29 -4.952 -1.335 0.786 191 HB2 LEU 29 HB2 LEU 29 -4.222 -3.061 2.232 192 HB3 LEU 29 HB1 LEU 29 -2.886 -2.098 2.832 193 HG LEU 29 HG LEU 29 -4.469 -0.622 4.000 194 HD11 LEU 29 HD11 LEU 29 -6.830 -2.081 4.083 195 HD12 LEU 29 HD12 LEU 29 -6.413 -1.999 2.369 196 HD13 LEU 29 HD13 LEU 29 -6.581 -0.516 3.308 197 HD21 LEU 29 HD21 LEU 29 -3.515 -2.790 4.954 198 HD22 LEU 29 HD22 LEU 29 -5.133 -3.448 4.719 199 HD23 LEU 29 HD23 LEU 29 -4.895 -2.063 5.781 200 HA PRO 30 HA PRO 30 -3.024 2.361 3.527 201 HB2 PRO 30 HB2 PRO 30 -0.706 3.165 2.086 202 HB3 PRO 30 HB1 PRO 30 -0.803 2.578 3.747 203 HG2 PRO 30 HG2 PRO 30 -0.091 1.124 1.267 204 HG3 PRO 30 HG1 PRO 30 0.397 0.810 2.942 205 HD2 PRO 30 HD2 PRO 30 -1.366 -0.755 1.657 206 HD3 PRO 30 HD1 PRO 30 -1.511 -0.410 3.395 207 H CYS 31 HN CYS 31 -2.066 2.398 0.061 208 HA CYS 31 HA CYS 31 -3.277 4.995 -0.204 209 HB2 CYS 31 HB2 CYS 31 -2.443 5.027 -2.458 210 HB3 CYS 31 HB1 CYS 31 -1.174 4.391 -1.420 211 H VAL 32 HN VAL 32 -3.978 1.701 -1.132 212 HA VAL 32 HA VAL 32 -6.079 2.179 -2.906 213 HB VAL 32 HB VAL 32 -5.893 -0.234 -1.112 214 HG11 VAL 32 HG11 VAL 32 -7.425 -1.054 -2.474 215 HG12 VAL 32 HG12 VAL 32 -6.392 -0.743 -3.870 216 HG13 VAL 32 HG13 VAL 32 -7.493 0.506 -3.291 217 HG21 VAL 32 HG21 VAL 32 -4.477 -0.424 -3.659 218 HG22 VAL 32 HG22 VAL 32 -3.991 -0.965 -2.052 219 HG23 VAL 32 HG23 VAL 32 -3.735 0.712 -2.533 220 H LEU 33 HN LEU 33 -5.931 2.111 0.584 221 HA LEU 33 HA LEU 33 -8.670 1.794 1.162 222 HB2 LEU 33 HB2 LEU 33 -6.787 1.615 2.801 223 HB3 LEU 33 HB1 LEU 33 -6.646 3.363 2.760 224 HG LEU 33 HG LEU 33 -9.007 3.503 3.577 225 HD11 LEU 33 HD11 LEU 33 -10.296 1.703 3.717 226 HD12 LEU 33 HD12 LEU 33 -9.112 0.893 4.742 227 HD13 LEU 33 HD13 LEU 33 -8.995 0.762 2.990 228 HD21 LEU 33 HD21 LEU 33 -8.328 2.468 5.902 229 HD22 LEU 33 HD22 LEU 33 -7.539 3.915 5.272 230 HD23 LEU 33 HD23 LEU 33 -6.751 2.345 5.121 231 H ALA 34 HN ALA 34 -6.725 4.554 0.253 232 HA ALA 34 HA ALA 34 -8.594 6.573 0.952 233 HB1 ALA 34 HB1 ALA 34 -7.185 7.829 -0.903 234 HB2 ALA 34 HB2 ALA 34 -6.105 6.456 -0.662 235 HB3 ALA 34 HB3 ALA 34 -6.529 7.497 0.698 236 H ALA 35 HN ALA 35 -8.023 4.689 -1.971 237 HA ALA 35 HA ALA 35 -10.020 6.157 -3.479 238 HB1 ALA 35 HB1 ALA 35 -7.801 4.674 -4.186 239 HB2 ALA 35 HB2 ALA 35 -9.047 5.269 -5.286 240 HB3 ALA 35 HB3 ALA 35 -9.152 3.630 -4.637 241 H LEU 36 HN LEU 36 -10.030 3.714 -1.209 242 HA LEU 36 HA LEU 36 -12.158 2.098 -2.245 243 HB2 LEU 36 HB2 LEU 36 -10.401 1.365 -0.581 244 HB3 LEU 36 HB1 LEU 36 -11.230 2.342 0.615 245 HG LEU 36 HG LEU 36 -13.280 0.946 0.236 246 HD11 LEU 36 HD11 LEU 36 -12.114 -1.392 -0.746 247 HD12 LEU 36 HD12 LEU 36 -11.627 -0.111 -1.857 248 HD13 LEU 36 HD13 LEU 36 -13.337 -0.389 -1.524 249 HD21 LEU 36 HD21 LEU 36 -11.489 0.616 2.042 250 HD22 LEU 36 HD22 LEU 36 -10.966 -0.765 1.081 251 HD23 LEU 36 HD23 LEU 36 -12.604 -0.714 1.730 252 H LYS 37 HN LYS 37 -12.047 5.185 -1.021 253 HA LYS 37 HA LYS 37 -14.575 5.103 0.384 254 HB2 LYS 37 HB2 LYS 37 -12.883 7.495 -0.354 255 HB3 LYS 37 HB1 LYS 37 -14.218 7.472 0.790 256 HG2 LYS 37 HG2 LYS 37 -12.913 5.852 2.170 257 HG3 LYS 37 HG1 LYS 37 -11.555 6.099 1.070 258 HD2 LYS 37 HD2 LYS 37 -11.646 8.517 1.573 259 HD3 LYS 37 HD1 LYS 37 -12.901 8.193 2.773 260 HE2 LYS 37 HE2 LYS 37 -10.053 7.200 2.774 261 HE3 LYS 37 HE1 LYS 37 -10.781 8.352 3.894 262 HZ1 LYS 37 HZ1 LYS 37 -10.516 5.947 4.659 263 HZ2 LYS 37 HZ2 LYS 37 -11.819 5.579 3.651 264 HZ3 LYS 37 HZ3 LYS 37 -12.022 6.679 4.932 265 H ALA 38 HN ALA 38 -13.904 4.875 -2.747 266 HA ALA 38 HA ALA 38 -15.662 6.882 -3.825 267 HB1 ALA 38 HB1 ALA 38 -13.835 4.900 -4.870 268 HB2 ALA 38 HB2 ALA 38 -14.424 6.390 -5.608 269 HB3 ALA 38 HB3 ALA 38 -15.361 4.903 -5.756 270 H ALA 39 HN ALA 39 -16.170 4.122 -2.109 271 HA ALA 39 HA ALA 39 -18.951 3.961 -2.956 272 HB1 ALA 39 HB1 ALA 39 -18.784 1.986 -3.966 273 HB2 ALA 39 HB2 ALA 39 -18.076 1.288 -2.508 274 HB3 ALA 39 HB3 ALA 39 -17.036 2.018 -3.732 275 H GLU 40 HN GLU 40 -20.074 2.290 -1.386 276 HA GLU 40 HA GLU 40 -19.342 3.141 1.295 277 HB2 GLU 40 HB2 GLU 40 -21.697 1.578 0.242 278 HB3 GLU 40 HB1 GLU 40 -21.446 1.914 1.947 279 HG2 GLU 40 HG2 GLU 40 -21.417 4.365 1.312 280 HG3 GLU 40 HG1 GLU 40 -22.021 3.853 -0.266 281 H GLY 41 HN GLY 41 -18.076 1.988 2.558 282 HA2 GLY 41 HA2 GLY 41 -17.055 0.203 3.564 283 HA3 GLY 41 HA1 GLY 41 -18.402 -0.773 3.004 284 H CYS 42 HN CYS 42 -18.081 -2.208 1.448 285 HA CYS 42 HA CYS 42 -17.070 -3.520 -0.088 286 HB2 CYS 42 HB2 CYS 42 -16.306 -0.827 -0.860 287 HB3 CYS 42 HB1 CYS 42 -15.082 -2.008 -1.313 288 H ALA 43 HN ALA 43 -15.839 -2.845 2.644 289 HA ALA 43 HA ALA 43 -13.083 -3.729 2.173 290 HB1 ALA 43 HB1 ALA 43 -12.498 -2.768 4.146 291 HB2 ALA 43 HB2 ALA 43 -14.005 -3.225 4.940 292 HB3 ALA 43 HB3 ALA 43 -13.962 -1.827 3.862 293 H SER 44 HN SER 44 -16.080 -4.985 2.715 294 HA SER 44 HA SER 44 -15.610 -7.075 4.559 295 HB2 SER 44 HB2 SER 44 -17.853 -6.331 4.010 296 HB3 SER 44 HB1 SER 44 -17.631 -6.782 2.323 297 HG SER 44 HG SER 44 -17.245 -8.794 4.210 298 H CYS 45 HN CYS 45 -14.405 -6.597 1.485 299 HA CYS 45 HA CYS 45 -13.860 -9.472 1.118 300 HB2 CYS 45 HB2 CYS 45 -15.249 -8.659 -0.682 301 HB3 CYS 45 HB1 CYS 45 -14.208 -7.261 -0.919 302 H PHE 46 HN PHE 46 -12.636 -6.219 1.137 303 HA PHE 46 HA PHE 46 -10.009 -6.783 0.232 304 HB2 PHE 46 HB2 PHE 46 -11.357 -4.566 0.285 305 HB3 PHE 46 HB1 PHE 46 -10.747 -4.423 1.927 306 HD1 PHE 46 HD2 PHE 46 -8.047 -5.907 0.914 307 HD2 PHE 46 HD1 PHE 46 -10.264 -2.448 -0.181 308 HE1 PHE 46 HE2 PHE 46 -5.996 -4.877 0.029 309 HE2 PHE 46 HE1 PHE 46 -8.239 -1.420 -1.077 310 HZ PHE 46 HZ PHE 46 -6.086 -2.630 -0.965 311 H CYS 47 HN CYS 47 -10.739 -5.298 3.341 312 HA CYS 47 HA CYS 47 -8.354 -6.273 4.496 313 HB2 CYS 47 HB2 CYS 47 -10.712 -4.910 5.782 314 HB3 CYS 47 HB1 CYS 47 -9.142 -5.163 6.539 315 H GLU 48 HN GLU 48 -10.307 -8.476 3.794 316 HA GLU 48 HA GLU 48 -11.282 -9.493 6.270 317 HB2 GLU 48 HB2 GLU 48 -10.780 -10.730 3.570 318 HB3 GLU 48 HB1 GLU 48 -11.233 -11.728 4.945 319 HG2 GLU 48 HG2 GLU 48 -12.842 -9.346 4.143 320 HG3 GLU 48 HG1 GLU 48 -13.083 -10.927 3.400 321 H ASP 49 HN ASP 49 -8.595 -10.596 4.225 322 HA ASP 49 HA ASP 49 -7.338 -11.847 6.542 323 HB2 ASP 49 HB2 ASP 49 -7.510 -12.993 4.274 324 HB3 ASP 49 HB1 ASP 49 -6.347 -11.812 3.680 325 H HIS 50 HN HIS 50 -7.460 -8.913 5.024 326 HA HIS 50 HA HIS 50 -4.700 -8.181 5.757 327 HB2 HIS 50 HB2 HIS 50 -6.634 -6.624 4.027 328 HB3 HIS 50 HB1 HIS 50 -4.939 -6.251 4.301 329 HD2 HIS 50 HD2 HIS 50 -6.839 -7.529 1.505 330 HE1 HIS 50 HE1 HIS 50 -3.295 -9.859 1.399 331 HE2 HIS 50 HE2 HIS 50 -5.307 -9.077 0.098 332 H CYS 51 HN CYS 51 -5.891 -8.302 8.046 333 HA CYS 51 HA CYS 51 -7.246 -5.762 8.594 334 HB2 CYS 51 HB2 CYS 51 -6.898 -8.265 10.237 335 HB3 CYS 51 HB1 CYS 51 -7.497 -6.766 10.936 336 H HIS 52 HN HIS 52 -4.419 -5.752 7.961 337 HA HIS 52 HA HIS 52 -3.455 -4.658 10.485 338 HB2 HIS 52 HB2 HIS 52 -1.259 -5.548 10.161 339 HB3 HIS 52 HB1 HIS 52 -2.399 -6.873 10.021 340 HD2 HIS 52 HD2 HIS 52 -2.202 -8.313 7.698 341 HE1 HIS 52 HE1 HIS 52 0.615 -5.804 5.750 342 HE2 HIS 52 HE2 HIS 52 -0.753 -7.915 5.578 343 H GLY 53 HN GLY 53 -1.802 -2.977 10.259 344 HA2 GLY 53 HA2 GLY 53 -0.677 -1.313 9.026 345 HA3 GLY 53 HA1 GLY 53 -1.581 -1.791 7.599 346 H VAL 54 HN VAL 54 -2.590 0.003 6.925 347 HA VAL 54 HA VAL 54 -3.554 1.953 8.783 348 HB VAL 54 HB VAL 54 -2.617 2.533 6.555 349 HG11 VAL 54 HG11 VAL 54 -3.994 0.632 5.417 350 HG12 VAL 54 HG12 VAL 54 -3.665 2.135 4.548 351 HG13 VAL 54 HG13 VAL 54 -5.240 1.879 5.298 352 HG21 VAL 54 HG21 VAL 54 -3.670 4.368 7.366 353 HG22 VAL 54 HG22 VAL 54 -5.204 3.524 7.588 354 HG23 VAL 54 HG23 VAL 54 -4.722 4.071 5.980 355 H CYS 55 HN CYS 55 -4.944 -0.831 7.257 356 HA CYS 55 HA CYS 55 -7.659 0.092 7.458 357 HB2 CYS 55 HB2 CYS 55 -6.785 -1.738 5.877 358 HB3 CYS 55 HB1 CYS 55 -6.869 -2.802 7.276 359 H LYS 56 HN LYS 56 -5.418 -1.594 9.517 360 HA LYS 56 HA LYS 56 -7.440 -2.512 11.349 361 HB2 LYS 56 HB2 LYS 56 -5.603 -3.050 12.884 362 HB3 LYS 56 HB1 LYS 56 -5.287 -3.679 11.275 363 HG2 LYS 56 HG2 LYS 56 -3.332 -2.667 11.284 364 HG3 LYS 56 HG1 LYS 56 -4.143 -1.104 11.393 365 HD2 LYS 56 HD2 LYS 56 -4.207 -1.387 13.870 366 HD3 LYS 56 HD1 LYS 56 -3.247 -2.859 13.678 367 HE2 LYS 56 HE2 LYS 56 -1.496 -1.513 12.543 368 HE3 LYS 56 HE1 LYS 56 -2.435 -0.059 12.887 369 HZ1 LYS 56 HZ1 LYS 56 -1.183 -1.893 14.858 370 HZ2 LYS 56 HZ2 LYS 56 -2.252 -0.646 15.285 371 HZ3 LYS 56 HZ3 LYS 56 -0.766 -0.276 14.547 372 H ASP 57 HN ASP 57 -5.520 0.345 10.921 373 HA ASP 57 HA ASP 57 -6.055 1.550 13.453 374 HB2 ASP 57 HB2 ASP 57 -4.176 2.178 11.863 375 HB3 ASP 57 HB1 ASP 57 -5.388 2.933 10.837 376 H LEU 58 HN LEU 58 -7.305 2.082 10.174 377 HA LEU 58 HA LEU 58 -9.730 3.304 11.286 378 HB2 LEU 58 HB2 LEU 58 -8.249 4.058 9.130 379 HB3 LEU 58 HB1 LEU 58 -9.393 2.987 8.348 380 HG LEU 58 HG LEU 58 -10.083 5.352 8.251 381 HD11 LEU 58 HD11 LEU 58 -12.320 4.962 8.596 382 HD12 LEU 58 HD12 LEU 58 -12.041 4.009 10.054 383 HD13 LEU 58 HD13 LEU 58 -11.687 3.321 8.469 384 HD21 LEU 58 HD21 LEU 58 -9.445 5.226 11.062 385 HD22 LEU 58 HD22 LEU 58 -11.077 5.839 10.801 386 HD23 LEU 58 HD23 LEU 58 -9.701 6.631 10.033 387 H HIS 59 HN HIS 59 -9.909 1.069 12.163 388 HA HIS 59 HA HIS 59 -10.213 -1.313 11.091 389 HB2 HIS 59 HB2 HIS 59 -10.785 -0.458 13.474 390 HB3 HIS 59 HB1 HIS 59 -12.443 -0.427 12.876 391 HD2 HIS 59 HD2 HIS 59 -13.688 -2.777 13.426 392 HE1 HIS 59 HE1 HIS 59 -10.273 -5.295 13.272 393 HE2 HIS 59 HE2 HIS 59 -12.731 -5.153 13.825 394 H LEU 60 HN LEU 60 -11.242 -2.309 9.552 395 HA LEU 60 HA LEU 60 -13.958 -1.587 8.865 396 HB2 LEU 60 HB2 LEU 60 -11.654 -1.456 6.936 397 HB3 LEU 60 HB1 LEU 60 -13.319 -1.609 6.404 398 HG LEU 60 HG LEU 60 -12.589 0.626 8.250 399 HD11 LEU 60 HD11 LEU 60 -12.422 1.780 5.785 400 HD12 LEU 60 HD12 LEU 60 -11.563 0.257 5.545 401 HD13 LEU 60 HD13 LEU 60 -11.056 1.364 6.824 402 HD21 LEU 60 HD21 LEU 60 -14.929 0.276 7.746 403 HD22 LEU 60 HD22 LEU 60 -14.590 0.306 6.015 404 HD23 LEU 60 HD23 LEU 60 -14.370 1.765 6.982 405 H CYS 61 HN CYS 61 -12.408 -3.946 10.008 406 HA CYS 61 HA CYS 61 -13.708 -5.929 8.301 407 HB2 CYS 61 HB2 CYS 61 -11.783 -7.509 8.641 408 HB3 CYS 61 HB1 CYS 61 -11.470 -6.188 7.532 409 H1 ALA 62 HT1 ALA 62 31.142 -0.792 8.401 410 H2 ALA 62 HT2 ALA 62 29.692 -1.620 7.982 411 H3 ALA 62 HT3 ALA 62 29.650 0.058 8.356 412 HA ALA 62 HA ALA 62 30.097 0.615 6.325 413 HB1 ALA 62 HB1 ALA 62 32.074 -1.167 5.371 414 HB2 ALA 62 HB2 ALA 62 32.476 -0.778 7.042 415 HB3 ALA 62 HB3 ALA 62 32.264 0.515 5.862 416 H MET 63 HN MET 63 28.668 0.185 4.804 417 HA MET 63 HA MET 63 27.218 -0.906 3.435 418 HB2 MET 63 HB2 MET 63 29.348 -3.003 3.059 419 HB3 MET 63 HB1 MET 63 28.194 -2.388 1.883 420 HG2 MET 63 HG2 MET 63 29.407 -0.168 2.069 421 HG3 MET 63 HG1 MET 63 30.653 -1.047 2.951 422 HE1 MET 63 HE1 MET 63 28.712 -2.199 -0.649 423 HE2 MET 63 HE2 MET 63 29.727 -1.009 -1.464 424 HE3 MET 63 HE3 MET 63 28.683 -0.513 -0.133 425 H GLY 64 HN GLY 64 27.665 -3.987 3.105 426 HA2 GLY 64 HA2 GLY 64 26.704 -5.893 3.941 427 HA3 GLY 64 HA1 GLY 64 27.060 -5.247 5.535 428 H LYS 65 HN LYS 65 24.905 -3.998 3.019 429 HA LYS 65 HA LYS 65 22.693 -3.508 2.990 430 HB2 LYS 65 HB2 LYS 65 22.489 -5.807 4.946 431 HB3 LYS 65 HB1 LYS 65 21.158 -5.124 4.016 432 HG2 LYS 65 HG2 LYS 65 21.913 -6.023 2.027 433 HG3 LYS 65 HG1 LYS 65 23.573 -6.177 2.607 434 HD2 LYS 65 HD2 LYS 65 22.837 -7.968 4.139 435 HD3 LYS 65 HD1 LYS 65 21.208 -7.848 3.460 436 HE2 LYS 65 HE2 LYS 65 23.733 -8.568 1.972 437 HE3 LYS 65 HE1 LYS 65 22.427 -9.670 2.410 438 HZ1 LYS 65 HZ1 LYS 65 22.279 -7.391 0.507 439 HZ2 LYS 65 HZ2 LYS 65 20.935 -8.286 1.020 440 HZ3 LYS 65 HZ3 LYS 65 22.164 -9.039 0.132 441 H CYS 66 HN CYS 66 21.672 -4.533 6.030 442 HA CYS 66 HA CYS 66 22.096 -1.868 7.199 443 HB2 CYS 66 HB2 CYS 66 19.504 -3.390 7.489 444 HB3 CYS 66 HB1 CYS 66 19.836 -1.725 7.946 445 H SER 67 HN SER 67 23.404 -2.269 8.866 446 HA SER 67 HA SER 67 24.161 -3.005 10.866 447 HB2 SER 67 HB2 SER 67 21.451 -4.337 11.080 448 HB3 SER 67 HB1 SER 67 22.606 -4.157 12.402 449 HG SER 67 HG SER 67 21.064 -2.197 11.091 450 H VAL 68 HN VAL 68 24.509 -5.142 12.188 451 HA VAL 68 HA VAL 68 25.567 -7.066 10.284 452 HB VAL 68 HB VAL 68 25.839 -7.102 13.296 453 HG11 VAL 68 HG11 VAL 68 27.002 -8.962 13.014 454 HG12 VAL 68 HG12 VAL 68 28.089 -8.140 11.891 455 HG13 VAL 68 HG13 VAL 68 26.627 -8.923 11.291 456 HG21 VAL 68 HG21 VAL 68 26.680 -5.026 11.829 457 HG22 VAL 68 HG22 VAL 68 28.060 -6.102 11.610 458 HG23 VAL 68 HG23 VAL 68 27.561 -5.623 13.231 459 H LEU 69 HN LEU 69 23.109 -6.929 12.807 460 HA LEU 69 HA LEU 69 22.606 -9.748 12.788 461 HB2 LEU 69 HB2 LEU 69 22.121 -8.322 14.740 462 HB3 LEU 69 HB1 LEU 69 20.881 -7.492 13.818 463 HG LEU 69 HG LEU 69 19.675 -9.682 13.609 464 HD11 LEU 69 HD11 LEU 69 20.757 -10.994 15.858 465 HD12 LEU 69 HD12 LEU 69 22.097 -10.641 14.766 466 HD13 LEU 69 HD13 LEU 69 20.705 -11.555 14.186 467 HD21 LEU 69 HD21 LEU 69 19.112 -9.726 16.146 468 HD22 LEU 69 HD22 LEU 69 18.734 -8.290 15.197 469 HD23 LEU 69 HD23 LEU 69 20.169 -8.321 16.220 470 H LYS 70 HN LYS 70 21.325 -6.984 11.062 471 HA LYS 70 HA LYS 70 19.202 -8.597 9.915 472 HB2 LYS 70 HB2 LYS 70 19.835 -5.695 9.395 473 HB3 LYS 70 HB1 LYS 70 18.322 -6.537 9.113 474 HG2 LYS 70 HG2 LYS 70 18.046 -6.865 11.525 475 HG3 LYS 70 HG1 LYS 70 19.554 -5.991 11.798 476 HD2 LYS 70 HD2 LYS 70 18.545 -3.993 10.739 477 HD3 LYS 70 HD1 LYS 70 17.028 -4.887 10.574 478 HE2 LYS 70 HE2 LYS 70 17.079 -5.246 13.067 479 HE3 LYS 70 HE1 LYS 70 18.443 -4.132 13.129 480 HZ1 LYS 70 HZ1 LYS 70 15.646 -3.543 12.338 481 HZ2 LYS 70 HZ2 LYS 70 16.927 -2.474 12.032 482 HZ3 LYS 70 HZ3 LYS 70 16.542 -2.880 13.627 483 H LYS 71 HN LYS 71 22.163 -8.887 9.309 484 HA LYS 71 HA LYS 71 22.134 -8.291 6.449 485 HB2 LYS 71 HB2 LYS 71 24.439 -8.774 6.384 486 HB3 LYS 71 HB1 LYS 71 24.206 -7.903 7.892 487 HG2 LYS 71 HG2 LYS 71 24.245 -10.025 9.119 488 HG3 LYS 71 HG1 LYS 71 24.496 -10.890 7.599 489 HD2 LYS 71 HD2 LYS 71 26.602 -9.684 7.259 490 HD3 LYS 71 HD1 LYS 71 26.345 -8.805 8.770 491 HE2 LYS 71 HE2 LYS 71 26.367 -10.963 9.984 492 HE3 LYS 71 HE1 LYS 71 26.723 -11.787 8.469 493 HZ1 LYS 71 HZ1 LYS 71 28.873 -11.334 8.715 494 HZ2 LYS 71 HZ2 LYS 71 28.534 -10.691 10.249 495 HZ3 LYS 71 HZ3 LYS 71 28.571 -9.668 8.891 496 H VAL 72 HN VAL 72 20.691 -10.448 8.202 497 HA VAL 72 HA VAL 72 21.481 -12.913 6.912 498 HB VAL 72 HB VAL 72 19.003 -12.518 8.591 499 HG11 VAL 72 HG11 VAL 72 20.761 -14.935 8.525 500 HG12 VAL 72 HG12 VAL 72 19.553 -14.667 7.270 501 HG13 VAL 72 HG13 VAL 72 19.055 -14.803 8.955 502 HG21 VAL 72 HG21 VAL 72 21.840 -12.915 9.526 503 HG22 VAL 72 HG22 VAL 72 20.425 -13.205 10.537 504 HG23 VAL 72 HG23 VAL 72 20.755 -11.587 9.923 505 H ALA 73 HN ALA 73 20.540 -10.653 5.342 506 HA ALA 73 HA ALA 73 19.448 -10.286 3.399 507 HB1 ALA 73 HB1 ALA 73 18.026 -12.826 3.204 508 HB2 ALA 73 HB2 ALA 73 19.770 -12.977 3.420 509 HB3 ALA 73 HB3 ALA 73 19.127 -12.040 2.071 510 H CYS 74 HN CYS 74 18.258 -9.012 5.219 511 HA CYS 74 HA CYS 74 16.333 -7.961 5.812 512 HB2 CYS 74 HB2 CYS 74 15.024 -9.535 3.594 513 HB3 CYS 74 HB1 CYS 74 14.498 -7.994 4.263 514 H ALA 75 HN ALA 75 16.797 -11.057 6.533 515 HA ALA 75 HA ALA 75 14.165 -11.950 7.137 516 HB1 ALA 75 HB1 ALA 75 16.042 -13.304 8.778 517 HB2 ALA 75 HB2 ALA 75 16.781 -13.050 7.194 518 HB3 ALA 75 HB3 ALA 75 15.231 -13.884 7.322 519 H ALA 76 HN ALA 76 16.830 -10.995 9.323 520 HA ALA 76 HA ALA 76 15.017 -10.752 11.553 521 HB1 ALA 76 HB1 ALA 76 17.698 -9.609 11.866 522 HB2 ALA 76 HB2 ALA 76 17.678 -11.297 11.349 523 HB3 ALA 76 HB3 ALA 76 16.855 -10.820 12.835 524 H ALA 77 HN ALA 77 14.081 -9.084 9.655 525 HA ALA 77 HA ALA 77 14.149 -6.539 10.982 526 HB1 ALA 77 HB1 ALA 77 14.657 -5.605 8.455 527 HB2 ALA 77 HB2 ALA 77 15.771 -6.967 8.589 528 HB3 ALA 77 HB3 ALA 77 15.824 -5.666 9.779 529 H ILE 78 HN ILE 78 13.381 -8.047 7.873 530 HA ILE 78 HA ILE 78 10.849 -6.622 7.730 531 HB ILE 78 HB ILE 78 12.453 -8.273 5.802 532 HG12 ILE 78 HG12 ILE 78 11.315 -5.498 5.516 533 HG13 ILE 78 HG11 ILE 78 12.852 -5.806 6.336 534 HG21 ILE 78 HG21 ILE 78 10.425 -9.012 5.053 535 HG22 ILE 78 HG22 ILE 78 10.522 -7.475 4.188 536 HG23 ILE 78 HG23 ILE 78 9.559 -7.597 5.664 537 HD11 ILE 78 HD11 ILE 78 12.611 -7.029 3.691 538 HD12 ILE 78 HD12 ILE 78 13.947 -6.137 4.419 539 HD13 ILE 78 HD13 ILE 78 12.592 -5.266 3.705 540 H ALA 79 HN ALA 79 12.023 -9.997 7.640 541 HA ALA 79 HA ALA 79 9.469 -11.185 7.594 542 HB1 ALA 79 HB1 ALA 79 11.840 -12.547 8.805 543 HB2 ALA 79 HB2 ALA 79 11.758 -12.235 7.068 544 HB3 ALA 79 HB3 ALA 79 10.526 -13.234 7.848 545 H GLY 80 HN GLY 80 11.216 -9.711 10.148 546 HA2 GLY 80 HA2 GLY 80 9.990 -11.144 12.315 547 HA3 GLY 80 HA1 GLY 80 10.908 -9.648 12.436 548 H ALA 81 HN ALA 81 9.134 -8.448 10.320 549 HA ALA 81 HA ALA 81 7.167 -7.425 12.138 550 HB1 ALA 81 HB1 ALA 81 8.388 -6.548 9.688 551 HB2 ALA 81 HB2 ALA 81 7.516 -5.610 10.899 552 HB3 ALA 81 HB3 ALA 81 6.633 -6.399 9.593 553 H VAL 82 HN VAL 82 7.310 -9.624 9.470 554 HA VAL 82 HA VAL 82 4.663 -9.783 8.689 555 HB VAL 82 HB VAL 82 6.640 -12.063 8.865 556 HG11 VAL 82 HG11 VAL 82 4.133 -12.389 8.294 557 HG12 VAL 82 HG12 VAL 82 5.369 -13.184 7.317 558 HG13 VAL 82 HG13 VAL 82 4.594 -11.709 6.734 559 HG21 VAL 82 HG21 VAL 82 6.754 -9.631 7.342 560 HG22 VAL 82 HG22 VAL 82 6.593 -11.017 6.265 561 HG23 VAL 82 HG23 VAL 82 7.920 -10.951 7.423 562 H ALA 83 HN ALA 83 6.386 -11.387 11.320 563 HA ALA 83 HA ALA 83 4.320 -13.119 12.135 564 HB1 ALA 83 HB1 ALA 83 5.785 -13.798 13.695 565 HB2 ALA 83 HB2 ALA 83 6.107 -12.154 14.250 566 HB3 ALA 83 HB3 ALA 83 6.930 -12.777 12.820 567 H ALA 84 HN ALA 84 5.075 -9.785 12.929 568 HA ALA 84 HA ALA 84 3.234 -9.601 15.104 569 HB1 ALA 84 HB1 ALA 84 4.900 -8.058 15.348 570 HB2 ALA 84 HB2 ALA 84 3.666 -7.054 14.588 571 HB3 ALA 84 HB3 ALA 84 4.983 -7.715 13.620 572 H CYS 85 HN CYS 85 3.053 -9.088 11.661 573 HA CYS 85 HA CYS 85 0.477 -7.732 11.890 574 HB2 CYS 85 HB2 CYS 85 1.926 -8.483 9.351 575 HB3 CYS 85 HB1 CYS 85 0.664 -7.273 9.556 576 H GLY 86 HN GLY 86 1.659 -10.906 11.482 577 HA2 GLY 86 HA2 GLY 86 0.497 -12.896 11.256 578 HA3 GLY 86 HA1 GLY 86 -0.999 -11.968 11.220 579 H GLY 87 HN GLY 87 1.686 -11.363 9.098 580 HA2 GLY 87 HA2 GLY 87 1.410 -12.840 6.894 581 HA3 GLY 87 HA1 GLY 87 -0.009 -11.801 6.778 582 H ILE 88 HN ILE 88 2.350 -11.876 5.003 583 HA ILE 88 HA ILE 88 3.494 -9.252 5.629 584 HB ILE 88 HB ILE 88 5.125 -11.057 5.291 585 HG12 ILE 88 HG12 ILE 88 5.431 -8.550 4.557 586 HG13 ILE 88 HG11 ILE 88 6.658 -9.750 4.158 587 HG21 ILE 88 HG21 ILE 88 5.349 -11.547 2.643 588 HG22 ILE 88 HG22 ILE 88 3.597 -11.452 2.818 589 HG23 ILE 88 HG23 ILE 88 4.519 -12.603 3.785 590 HD11 ILE 88 HD11 ILE 88 5.504 -7.996 2.413 591 HD12 ILE 88 HD12 ILE 88 4.596 -9.477 2.116 592 HD13 ILE 88 HD13 ILE 88 6.354 -9.476 1.963 593 H ASP 89 HN ASP 89 3.104 -7.548 4.515 594 HA ASP 89 HA ASP 89 2.105 -7.657 1.788 595 HB2 ASP 89 HB2 ASP 89 0.617 -6.351 4.076 596 HB3 ASP 89 HB1 ASP 89 0.340 -5.927 2.390 597 H LEU 90 HN LEU 90 2.023 -5.027 4.145 598 HA LEU 90 HA LEU 90 4.527 -3.933 3.709 599 HB2 LEU 90 HB2 LEU 90 3.882 -3.605 1.390 600 HB3 LEU 90 HB1 LEU 90 2.430 -2.754 1.885 601 HG LEU 90 HG LEU 90 3.775 -0.917 2.776 602 HD11 LEU 90 HD11 LEU 90 6.068 -2.704 2.019 603 HD12 LEU 90 HD12 LEU 90 5.768 -1.873 3.551 604 HD13 LEU 90 HD13 LEU 90 6.258 -0.952 2.125 605 HD21 LEU 90 HD21 LEU 90 3.657 -0.056 0.740 606 HD22 LEU 90 HD22 LEU 90 3.522 -1.682 0.070 607 HD23 LEU 90 HD23 LEU 90 5.108 -0.941 0.270 608 HA PRO 91 HA PRO 91 1.238 -0.443 5.312 609 HB2 PRO 91 HB2 PRO 91 -0.653 -2.213 6.582 610 HB3 PRO 91 HB1 PRO 91 -0.951 -0.929 5.412 611 HG2 PRO 91 HG2 PRO 91 -0.713 -3.825 4.986 612 HG3 PRO 91 HG1 PRO 91 -1.447 -2.593 3.947 613 HD2 PRO 91 HD2 PRO 91 0.867 -3.825 3.310 614 HD3 PRO 91 HD1 PRO 91 0.541 -2.135 2.867 615 H CYS 92 HN CYS 92 0.915 -3.462 7.195 616 HA CYS 92 HA CYS 92 1.860 -2.088 9.523 617 HB2 CYS 92 HB2 CYS 92 0.150 -3.544 10.070 618 HB3 CYS 92 HB1 CYS 92 0.731 -4.801 8.987 619 H VAL 93 HN VAL 93 3.173 -4.384 7.245 620 HA VAL 93 HA VAL 93 5.346 -5.262 8.772 621 HB VAL 93 HB VAL 93 5.547 -5.027 5.802 622 HG11 VAL 93 HG11 VAL 93 5.965 -7.479 7.442 623 HG12 VAL 93 HG12 VAL 93 7.164 -6.187 7.481 624 HG13 VAL 93 HG13 VAL 93 6.769 -6.975 5.954 625 HG21 VAL 93 HG21 VAL 93 3.288 -6.173 7.198 626 HG22 VAL 93 HG22 VAL 93 4.149 -7.387 6.248 627 HG23 VAL 93 HG23 VAL 93 3.532 -5.925 5.467 628 H LEU 94 HN LEU 94 4.736 -2.235 7.311 629 HA LEU 94 HA LEU 94 7.433 -1.459 6.788 630 HB2 LEU 94 HB2 LEU 94 5.458 -0.425 5.715 631 HB3 LEU 94 HB1 LEU 94 4.995 0.256 7.265 632 HG LEU 94 HG LEU 94 7.262 1.442 7.236 633 HD11 LEU 94 HD11 LEU 94 8.188 0.023 5.412 634 HD12 LEU 94 HD12 LEU 94 8.338 1.760 5.142 635 HD13 LEU 94 HD13 LEU 94 7.090 0.840 4.302 636 HD21 LEU 94 HD21 LEU 94 4.854 2.276 6.537 637 HD22 LEU 94 HD22 LEU 94 5.640 2.423 4.963 638 HD23 LEU 94 HD23 LEU 94 6.284 3.289 6.357 639 H ALA 95 HN ALA 95 5.506 -1.687 9.612 640 HA ALA 95 HA ALA 95 6.499 0.366 11.211 641 HB1 ALA 95 HB1 ALA 95 5.188 -0.535 12.771 642 HB2 ALA 95 HB2 ALA 95 6.018 -2.089 12.691 643 HB3 ALA 95 HB3 ALA 95 4.731 -1.717 11.544 644 H ALA 96 HN ALA 96 7.662 -3.014 11.033 645 HA ALA 96 HA ALA 96 9.903 -2.473 12.740 646 HB1 ALA 96 HB1 ALA 96 9.779 -4.873 10.971 647 HB2 ALA 96 HB2 ALA 96 8.660 -4.717 12.325 648 HB3 ALA 96 HB3 ALA 96 10.398 -4.720 12.611 649 H LEU 97 HN LEU 97 9.301 -1.974 9.443 650 HA LEU 97 HA LEU 97 11.958 -2.365 8.468 651 HB2 LEU 97 HB2 LEU 97 9.797 -2.305 7.099 652 HB3 LEU 97 HB1 LEU 97 9.892 -0.558 7.239 653 HG LEU 97 HG LEU 97 12.080 -0.592 6.108 654 HD11 LEU 97 HD11 LEU 97 13.085 -2.520 5.286 655 HD12 LEU 97 HD12 LEU 97 11.604 -3.467 5.433 656 HD13 LEU 97 HD13 LEU 97 12.507 -3.020 6.876 657 HD21 LEU 97 HD21 LEU 97 9.964 -0.323 4.852 658 HD22 LEU 97 HD22 LEU 97 9.966 -2.059 4.542 659 HD23 LEU 97 HD23 LEU 97 11.259 -1.045 3.900 660 H LYS 98 HN LYS 98 10.226 0.223 10.009 661 HA LYS 98 HA LYS 98 11.954 2.359 9.318 662 HB2 LYS 98 HB2 LYS 98 10.142 1.954 11.704 663 HB3 LYS 98 HB1 LYS 98 10.994 3.454 11.372 664 HG2 LYS 98 HG2 LYS 98 8.992 2.177 9.520 665 HG3 LYS 98 HG1 LYS 98 8.629 3.470 10.663 666 HD2 LYS 98 HD2 LYS 98 10.367 4.861 9.515 667 HD3 LYS 98 HD1 LYS 98 10.496 3.593 8.292 668 HE2 LYS 98 HE2 LYS 98 9.003 5.346 7.525 669 HE3 LYS 98 HE1 LYS 98 8.098 3.855 7.799 670 HZ1 LYS 98 HZ1 LYS 98 8.217 6.217 9.607 671 HZ2 LYS 98 HZ2 LYS 98 7.434 4.753 9.988 672 HZ3 LYS 98 HZ3 LYS 98 6.879 5.700 8.695 673 H ALA 99 HN ALA 99 12.175 -0.250 11.564 674 HA ALA 99 HA ALA 99 14.228 0.975 13.183 675 HB1 ALA 99 HB1 ALA 99 13.147 -1.836 13.082 676 HB2 ALA 99 HB2 ALA 99 12.810 -0.594 14.288 677 HB3 ALA 99 HB3 ALA 99 14.417 -1.310 14.184 678 H ALA 100 HN ALA 100 14.106 -0.579 10.188 679 HA ALA 100 HA ALA 100 16.897 -1.457 10.351 680 HB1 ALA 100 HB1 ALA 100 14.721 -2.020 8.352 681 HB2 ALA 100 HB2 ALA 100 15.486 -3.151 9.469 682 HB3 ALA 100 HB3 ALA 100 16.404 -2.495 8.111 683 H GLU 101 HN GLU 101 15.077 1.172 9.426 684 HA GLU 101 HA GLU 101 15.557 3.145 8.430 685 HB2 GLU 101 HB2 GLU 101 18.326 1.987 8.120 686 HB3 GLU 101 HB1 GLU 101 17.892 3.638 7.698 687 HG2 GLU 101 HG2 GLU 101 17.238 4.034 10.042 688 HG3 GLU 101 HG1 GLU 101 17.763 2.397 10.436 689 H GLY 102 HN GLY 102 17.345 0.702 6.522 690 HA2 GLY 102 HA2 GLY 102 15.743 1.590 4.206 691 HA3 GLY 102 HA1 GLY 102 17.472 1.309 4.074 692 H CYS 103 HN CYS 103 17.868 -0.491 2.996 693 HA CYS 103 HA CYS 103 17.783 -2.627 2.237 694 HB2 CYS 103 HB2 CYS 103 16.603 -2.975 4.979 695 HB3 CYS 103 HB1 CYS 103 16.728 -4.336 3.869 696 H ALA 104 HN ALA 104 15.989 -1.031 1.114 697 HA ALA 104 HA ALA 104 13.385 -2.352 1.175 698 HB1 ALA 104 HB1 ALA 104 12.599 -0.475 -0.133 699 HB2 ALA 104 HB2 ALA 104 14.248 0.118 -0.320 700 HB3 ALA 104 HB3 ALA 104 13.491 0.104 1.273 701 H SER 105 HN SER 105 16.256 -2.642 -0.469 702 HA SER 105 HA SER 105 15.464 -3.004 -3.144 703 HB2 SER 105 HB2 SER 105 17.597 -4.352 -3.294 704 HB3 SER 105 HB1 SER 105 17.787 -2.725 -2.636 705 HG SER 105 HG SER 105 18.646 -3.675 -0.971 706 H CYS 106 HN CYS 106 15.023 -4.981 -0.382 707 HA CYS 106 HA CYS 106 14.391 -7.320 -2.044 708 HB2 CYS 106 HB2 CYS 106 14.474 -8.566 0.109 709 HB3 CYS 106 HB1 CYS 106 15.993 -7.753 -0.266 710 H PHE 107 HN PHE 107 13.087 -5.006 0.182 711 HA PHE 107 HA PHE 107 10.525 -6.404 0.304 712 HB2 PHE 107 HB2 PHE 107 11.751 -5.527 2.338 713 HB3 PHE 107 HB1 PHE 107 11.351 -3.912 1.779 714 HD1 PHE 107 HD2 PHE 107 8.583 -5.699 0.827 715 HD2 PHE 107 HD1 PHE 107 10.581 -4.372 4.337 716 HE1 PHE 107 HE2 PHE 107 6.462 -5.814 2.073 717 HE2 PHE 107 HE1 PHE 107 8.491 -4.494 5.590 718 HZ PHE 107 HZ PHE 107 6.414 -5.211 4.461 719 H CYS 108 HN CYS 108 11.128 -2.932 0.400 720 HA CYS 108 HA CYS 108 8.753 -2.296 -0.952 721 HB2 CYS 108 HB2 CYS 108 11.071 -0.785 0.086 722 HB3 CYS 108 HB1 CYS 108 10.059 0.020 -1.106 723 H GLU 109 HN GLU 109 10.714 -3.903 -2.656 724 HA GLU 109 HA GLU 109 11.338 -2.020 -4.767 725 HB2 GLU 109 HB2 GLU 109 11.965 -4.804 -4.143 726 HB3 GLU 109 HB1 GLU 109 11.545 -4.585 -5.838 727 HG2 GLU 109 HG2 GLU 109 13.527 -2.844 -4.450 728 HG3 GLU 109 HG1 GLU 109 13.981 -4.370 -5.210 729 H ASP 110 HN ASP 110 9.481 -5.061 -4.767 730 HA ASP 110 HA ASP 110 7.864 -4.225 -6.989 731 HB2 ASP 110 HB2 ASP 110 8.419 -6.613 -6.555 732 HB3 ASP 110 HB1 ASP 110 7.473 -6.542 -5.072 733 H HIS 111 HN HIS 111 7.936 -3.714 -3.693 734 HA HIS 111 HA HIS 111 5.098 -2.873 -3.605 735 HB2 HIS 111 HB2 HIS 111 6.932 -3.280 -1.228 736 HB3 HIS 111 HB1 HIS 111 5.185 -3.085 -1.210 737 HD2 HIS 111 HD2 HIS 111 7.636 -5.847 -0.865 738 HE1 HIS 111 HE1 HIS 111 4.176 -7.683 -2.497 739 HE2 HIS 111 HE2 HIS 111 6.458 -8.068 -1.484 740 H CYS 112 HN CYS 112 6.190 -1.067 -4.958 741 HA CYS 112 HA CYS 112 7.532 0.862 -3.214 742 HB2 CYS 112 HB2 CYS 112 8.713 0.144 -5.287 743 HB3 CYS 112 HB1 CYS 112 7.406 0.844 -6.234 744 H HIS 113 HN HIS 113 4.899 0.775 -2.707 745 HA HIS 113 HA HIS 113 4.131 3.409 -3.407 746 HB2 HIS 113 HB2 HIS 113 2.008 2.943 -4.407 747 HB3 HIS 113 HB1 HIS 113 3.247 2.132 -5.338 748 HD2 HIS 113 HD2 HIS 113 -0.162 1.396 -4.259 749 HE1 HIS 113 HE1 HIS 113 1.777 -2.378 -4.165 750 HE2 HIS 113 HE2 HIS 113 -0.437 -1.180 -4.275 751 H GLY 114 HN GLY 114 1.450 3.301 -2.519 752 HA2 GLY 114 HA2 GLY 114 0.214 3.250 -0.583 753 HA3 GLY 114 HA1 GLY 114 1.145 1.831 -0.128 754 H VAL 115 HN VAL 115 1.613 2.234 1.950 755 HA VAL 115 HA VAL 115 2.426 4.841 2.869 756 HB VAL 115 HB VAL 115 1.060 3.286 4.254 757 HG11 VAL 115 HG11 VAL 115 1.686 1.234 4.847 758 HG12 VAL 115 HG12 VAL 115 3.332 1.742 5.225 759 HG13 VAL 115 HG13 VAL 115 2.886 1.371 3.558 760 HG21 VAL 115 HG21 VAL 115 2.203 3.731 6.362 761 HG22 VAL 115 HG22 VAL 115 2.278 5.126 5.281 762 HG23 VAL 115 HG23 VAL 115 3.691 4.088 5.484 763 H CYS 116 HN CYS 116 4.010 2.132 1.529 764 HA CYS 116 HA CYS 116 6.497 2.203 2.811 765 HB2 CYS 116 HB2 CYS 116 6.199 0.386 1.362 766 HB3 CYS 116 HB1 CYS 116 5.658 1.410 0.035 767 H LYS 117 HN LYS 117 5.614 3.766 -0.292 768 HA LYS 117 HA LYS 117 7.847 5.593 0.187 769 HB2 LYS 117 HB2 LYS 117 7.847 6.131 -2.145 770 HB3 LYS 117 HB1 LYS 117 7.820 4.383 -1.986 771 HG2 LYS 117 HG2 LYS 117 5.650 4.213 -2.772 772 HG3 LYS 117 HG1 LYS 117 5.272 5.900 -2.393 773 HD2 LYS 117 HD2 LYS 117 6.852 6.611 -4.161 774 HD3 LYS 117 HD1 LYS 117 7.133 4.913 -4.559 775 HE2 LYS 117 HE2 LYS 117 4.741 4.665 -5.080 776 HE3 LYS 117 HE1 LYS 117 4.503 6.380 -4.742 777 HZ1 LYS 117 HZ1 LYS 117 4.877 5.549 -7.161 778 HZ2 LYS 117 HZ2 LYS 117 6.521 5.569 -6.727 779 HZ3 LYS 117 HZ3 LYS 117 5.607 6.994 -6.645 780 H ASP 118 HN ASP 118 5.359 5.820 1.622 781 HA ASP 118 HA ASP 118 3.645 7.796 0.622 782 HB2 ASP 118 HB2 ASP 118 3.339 6.469 2.770 783 HB3 ASP 118 HB1 ASP 118 4.501 7.551 3.520 784 H LEU 119 HN LEU 119 6.726 7.897 2.205 785 HA LEU 119 HA LEU 119 7.000 10.772 1.657 786 HB2 LEU 119 HB2 LEU 119 8.563 8.933 3.494 787 HB3 LEU 119 HB1 LEU 119 9.095 10.552 3.084 788 HG LEU 119 HG LEU 119 8.088 10.711 5.223 789 HD11 LEU 119 HD11 LEU 119 6.244 11.670 3.063 790 HD12 LEU 119 HD12 LEU 119 7.468 12.578 3.952 791 HD13 LEU 119 HD13 LEU 119 5.996 12.050 4.768 792 HD21 LEU 119 HD21 LEU 119 6.133 9.704 5.924 793 HD22 LEU 119 HD22 LEU 119 6.830 8.489 4.855 794 HD23 LEU 119 HD23 LEU 119 5.515 9.517 4.285 795 H HIS 120 HN HIS 120 8.636 7.658 1.574 796 HA HIS 120 HA HIS 120 9.203 7.138 -0.920 797 HB2 HIS 120 HB2 HIS 120 10.222 9.496 -1.113 798 HB3 HIS 120 HB1 HIS 120 11.593 8.834 -0.219 799 HD2 HIS 120 HD2 HIS 120 13.495 7.968 -1.954 800 HE1 HIS 120 HE1 HIS 120 10.913 6.707 -5.079 801 HE2 HIS 120 HE2 HIS 120 13.269 6.669 -4.188 802 H LEU 121 HN LEU 121 10.175 5.201 -0.955 803 HA LEU 121 HA LEU 121 12.427 4.579 0.695 804 HB2 LEU 121 HB2 LEU 121 9.719 3.587 1.439 805 HB3 LEU 121 HB1 LEU 121 11.075 2.490 1.608 806 HG LEU 121 HG LEU 121 10.864 5.197 2.930 807 HD11 LEU 121 HD11 LEU 121 10.856 3.552 4.981 808 HD12 LEU 121 HD12 LEU 121 10.157 2.444 3.800 809 HD13 LEU 121 HD13 LEU 121 9.362 3.979 4.148 810 HD21 LEU 121 HD21 LEU 121 12.818 4.414 4.218 811 HD22 LEU 121 HD22 LEU 121 13.163 4.594 2.498 812 HD23 LEU 121 HD23 LEU 121 12.899 2.988 3.180 813 H CYS 122 HN CYS 122 12.095 4.500 -2.096 814 HA CYS 122 HA CYS 122 13.085 1.915 -2.649 815 HB2 CYS 122 HB2 CYS 122 11.243 1.437 -4.444 816 HB3 CYS 122 HB1 CYS 122 10.990 0.929 -2.783 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -33.583 -7.116 -3.892 2 H2 ALA 1 HT2 ALA 1 -33.800 -7.936 -2.400 3 H3 ALA 1 HT3 ALA 1 -33.228 -8.793 -3.779 4 HA ALA 1 HA ALA 1 -31.747 -7.647 -1.822 5 HB1 ALA 1 HB1 ALA 1 -30.765 -9.406 -2.948 6 HB2 ALA 1 HB2 ALA 1 -29.883 -8.033 -3.616 7 HB3 ALA 1 HB3 ALA 1 -31.193 -8.770 -4.540 8 H MET 2 HN MET 2 -30.193 -5.969 -1.801 9 HA MET 2 HA MET 2 -30.568 -3.841 -3.806 10 HB2 MET 2 HB2 MET 2 -31.990 -3.270 -1.921 11 HB3 MET 2 HB1 MET 2 -30.659 -3.512 -0.799 12 HG2 MET 2 HG2 MET 2 -29.473 -1.621 -1.930 13 HG3 MET 2 HG1 MET 2 -30.947 -1.334 -2.855 14 HE1 MET 2 HE1 MET 2 -29.615 -0.963 1.184 15 HE2 MET 2 HE2 MET 2 -30.190 -2.524 0.604 16 HE3 MET 2 HE3 MET 2 -31.208 -1.553 1.663 17 H GLY 3 HN GLY 3 -28.701 -2.878 -4.441 18 HA2 GLY 3 HA2 GLY 3 -26.550 -1.933 -3.750 19 HA3 GLY 3 HA1 GLY 3 -26.331 -3.358 -2.749 20 H LYS 4 HN LYS 4 -24.593 -2.240 -4.765 21 HA LYS 4 HA LYS 4 -24.613 -4.298 -6.864 22 HB2 LYS 4 HB2 LYS 4 -22.772 -1.916 -6.644 23 HB3 LYS 4 HB1 LYS 4 -23.066 -2.917 -8.057 24 HG2 LYS 4 HG2 LYS 4 -25.276 -2.025 -8.303 25 HG3 LYS 4 HG1 LYS 4 -25.134 -1.137 -6.783 26 HD2 LYS 4 HD2 LYS 4 -23.479 -0.692 -9.275 27 HD3 LYS 4 HD1 LYS 4 -24.792 0.340 -8.702 28 HE2 LYS 4 HE2 LYS 4 -23.528 0.869 -6.688 29 HE3 LYS 4 HE1 LYS 4 -22.229 -0.214 -7.190 30 HZ1 LYS 4 HZ1 LYS 4 -22.626 1.534 -9.303 31 HZ2 LYS 4 HZ2 LYS 4 -21.327 1.523 -8.216 32 HZ3 LYS 4 HZ3 LYS 4 -22.676 2.499 -7.907 33 H CYS 5 HN CYS 5 -23.136 -3.497 -3.906 34 HA CYS 5 HA CYS 5 -20.959 -5.402 -4.468 35 HB2 CYS 5 HB2 CYS 5 -20.314 -2.920 -4.234 36 HB3 CYS 5 HB1 CYS 5 -20.702 -3.111 -2.528 37 H SER 6 HN SER 6 -22.836 -6.776 -3.629 38 HA SER 6 HA SER 6 -23.236 -6.699 -0.764 39 HB2 SER 6 HB2 SER 6 -24.156 -8.804 -2.737 40 HB3 SER 6 HB1 SER 6 -24.814 -8.486 -1.132 41 HG SER 6 HG SER 6 -26.181 -7.421 -2.440 42 H VAL 7 HN VAL 7 -23.329 -9.492 -0.219 43 HA VAL 7 HA VAL 7 -20.561 -9.987 0.291 44 HB VAL 7 HB VAL 7 -22.844 -11.954 0.595 45 HG11 VAL 7 HG11 VAL 7 -21.224 -13.345 1.205 46 HG12 VAL 7 HG12 VAL 7 -20.954 -12.310 2.605 47 HG13 VAL 7 HG13 VAL 7 -20.013 -12.067 1.134 48 HG21 VAL 7 HG21 VAL 7 -22.250 -10.958 3.094 49 HG22 VAL 7 HG22 VAL 7 -23.657 -10.539 2.118 50 HG23 VAL 7 HG23 VAL 7 -22.212 -9.529 2.065 51 H LEU 8 HN LEU 8 -22.957 -11.319 -1.942 52 HA LEU 8 HA LEU 8 -21.116 -13.217 -3.069 53 HB2 LEU 8 HB2 LEU 8 -23.620 -13.518 -3.019 54 HB3 LEU 8 HB1 LEU 8 -23.743 -12.237 -4.212 55 HG LEU 8 HG LEU 8 -22.427 -13.616 -5.798 56 HD11 LEU 8 HD11 LEU 8 -21.107 -14.973 -4.399 57 HD12 LEU 8 HD12 LEU 8 -22.243 -16.073 -5.187 58 HD13 LEU 8 HD13 LEU 8 -22.514 -15.571 -3.516 59 HD21 LEU 8 HD21 LEU 8 -24.924 -14.855 -4.652 60 HD22 LEU 8 HD22 LEU 8 -24.187 -15.341 -6.177 61 HD23 LEU 8 HD23 LEU 8 -24.813 -13.705 -5.981 62 H LYS 9 HN LYS 9 -22.166 -9.970 -3.761 63 HA LYS 9 HA LYS 9 -20.661 -9.897 -6.244 64 HB2 LYS 9 HB2 LYS 9 -22.682 -8.168 -4.927 65 HB3 LYS 9 HB1 LYS 9 -21.484 -7.356 -5.922 66 HG2 LYS 9 HG2 LYS 9 -22.110 -8.828 -7.810 67 HG3 LYS 9 HG1 LYS 9 -23.375 -9.533 -6.799 68 HD2 LYS 9 HD2 LYS 9 -24.668 -7.625 -6.845 69 HD3 LYS 9 HD1 LYS 9 -23.281 -6.567 -7.122 70 HE2 LYS 9 HE2 LYS 9 -25.073 -7.264 -9.028 71 HE3 LYS 9 HE1 LYS 9 -23.414 -6.764 -9.351 72 HZ1 LYS 9 HZ1 LYS 9 -22.757 -9.108 -9.369 73 HZ2 LYS 9 HZ2 LYS 9 -23.950 -8.793 -10.537 74 HZ3 LYS 9 HZ3 LYS 9 -24.364 -9.568 -9.091 75 H LYS 10 HN LYS 10 -19.351 -10.308 -3.645 76 HA LYS 10 HA LYS 10 -18.062 -7.883 -2.883 77 HB2 LYS 10 HB2 LYS 10 -16.633 -9.239 -1.502 78 HB3 LYS 10 HB1 LYS 10 -18.270 -9.875 -1.391 79 HG2 LYS 10 HG2 LYS 10 -17.698 -11.651 -2.967 80 HG3 LYS 10 HG1 LYS 10 -16.060 -11.013 -3.098 81 HD2 LYS 10 HD2 LYS 10 -17.340 -12.067 -0.575 82 HD3 LYS 10 HD1 LYS 10 -16.195 -12.944 -1.590 83 HE2 LYS 10 HE2 LYS 10 -14.468 -11.314 -1.117 84 HE3 LYS 10 HE1 LYS 10 -15.608 -10.335 -0.190 85 HZ1 LYS 10 HZ1 LYS 10 -15.505 -11.722 1.572 86 HZ2 LYS 10 HZ2 LYS 10 -13.979 -12.094 0.931 87 HZ3 LYS 10 HZ3 LYS 10 -15.308 -13.113 0.633 88 H VAL 11 HN VAL 11 -17.632 -10.153 -5.396 89 HA VAL 11 HA VAL 11 -14.868 -9.787 -5.950 90 HB VAL 11 HB VAL 11 -16.953 -10.461 -8.029 91 HG11 VAL 11 HG11 VAL 11 -15.127 -10.702 -9.280 92 HG12 VAL 11 HG12 VAL 11 -14.731 -12.105 -8.291 93 HG13 VAL 11 HG13 VAL 11 -14.061 -10.525 -7.886 94 HG21 VAL 11 HG21 VAL 11 -15.657 -12.585 -6.384 95 HG22 VAL 11 HG22 VAL 11 -17.183 -12.625 -7.270 96 HG23 VAL 11 HG23 VAL 11 -17.070 -11.749 -5.740 97 H ALA 12 HN ALA 12 -17.574 -7.745 -6.386 98 HA ALA 12 HA ALA 12 -16.580 -6.272 -8.639 99 HB1 ALA 12 HB1 ALA 12 -18.534 -5.077 -6.727 100 HB2 ALA 12 HB2 ALA 12 -19.025 -6.459 -7.707 101 HB3 ALA 12 HB3 ALA 12 -18.471 -4.977 -8.487 102 H CYS 13 HN CYS 13 -15.177 -6.608 -5.844 103 HA CYS 13 HA CYS 13 -14.742 -4.024 -4.800 104 HB2 CYS 13 HB2 CYS 13 -12.714 -5.092 -3.768 105 HB3 CYS 13 HB1 CYS 13 -14.224 -5.954 -3.466 106 H ALA 14 HN ALA 14 -13.416 -5.711 -7.524 107 HA ALA 14 HA ALA 14 -10.980 -4.331 -7.802 108 HB1 ALA 14 HB1 ALA 14 -12.303 -5.194 -10.282 109 HB2 ALA 14 HB2 ALA 14 -12.092 -6.442 -9.052 110 HB3 ALA 14 HB3 ALA 14 -10.693 -5.557 -9.663 111 H ALA 15 HN ALA 15 -14.210 -3.312 -8.412 112 HA ALA 15 HA ALA 15 -13.554 -1.334 -10.396 113 HB1 ALA 15 HB1 ALA 15 -16.046 -1.583 -8.717 114 HB2 ALA 15 HB2 ALA 15 -15.781 -2.364 -10.274 115 HB3 ALA 15 HB3 ALA 15 -15.852 -0.607 -10.171 116 H ALA 16 HN ALA 16 -12.763 -1.435 -7.219 117 HA ALA 16 HA ALA 16 -12.781 1.502 -7.042 118 HB1 ALA 16 HB1 ALA 16 -13.018 1.067 -4.480 119 HB2 ALA 16 HB2 ALA 16 -13.722 -0.467 -5.002 120 HB3 ALA 16 HB3 ALA 16 -14.450 1.060 -5.514 121 H ILE 17 HN ILE 17 -11.120 -1.478 -6.546 122 HA ILE 17 HA ILE 17 -8.960 -0.179 -5.095 123 HB ILE 17 HB ILE 17 -9.855 -2.422 -4.481 124 HG12 ILE 17 HG12 ILE 17 -7.487 -1.503 -3.937 125 HG13 ILE 17 HG11 ILE 17 -7.837 -3.199 -3.632 126 HG21 ILE 17 HG21 ILE 17 -8.312 -4.054 -6.202 127 HG22 ILE 17 HG22 ILE 17 -9.403 -3.052 -7.159 128 HG23 ILE 17 HG23 ILE 17 -10.046 -4.082 -5.879 129 HD11 ILE 17 HD11 ILE 17 -5.751 -3.249 -4.611 130 HD12 ILE 17 HD12 ILE 17 -6.149 -1.979 -5.770 131 HD13 ILE 17 HD13 ILE 17 -6.823 -3.599 -5.970 132 H ALA 18 HN ALA 18 -9.496 -1.855 -8.139 133 HA ALA 18 HA ALA 18 -6.910 -1.817 -9.160 134 HB1 ALA 18 HB1 ALA 18 -8.372 -1.596 -11.428 135 HB2 ALA 18 HB2 ALA 18 -9.600 -2.139 -10.284 136 HB3 ALA 18 HB3 ALA 18 -8.138 -3.097 -10.530 137 H GLY 19 HN GLY 19 -9.292 0.775 -9.129 138 HA2 GLY 19 HA2 GLY 19 -7.911 2.410 -11.025 139 HA3 GLY 19 HA1 GLY 19 -9.206 2.928 -9.953 140 H ALA 20 HN ALA 20 -7.606 1.858 -7.621 141 HA ALA 20 HA ALA 20 -6.163 4.299 -7.166 142 HB1 ALA 20 HB1 ALA 20 -7.599 3.328 -5.419 143 HB2 ALA 20 HB2 ALA 20 -5.937 3.547 -4.883 144 HB3 ALA 20 HB3 ALA 20 -6.513 1.943 -5.329 145 H VAL 21 HN VAL 21 -5.468 1.039 -8.015 146 HA VAL 21 HA VAL 21 -2.796 0.886 -7.158 147 HB VAL 21 HB VAL 21 -4.224 -0.548 -9.408 148 HG11 VAL 21 HG11 VAL 21 -1.581 -0.429 -9.200 149 HG12 VAL 21 HG12 VAL 21 -2.426 -1.892 -9.710 150 HG13 VAL 21 HG13 VAL 21 -1.882 -1.719 -8.040 151 HG21 VAL 21 HG21 VAL 21 -3.557 -1.703 -6.732 152 HG22 VAL 21 HG22 VAL 21 -4.766 -2.222 -7.902 153 HG23 VAL 21 HG23 VAL 21 -5.025 -0.755 -6.960 154 H ALA 22 HN ALA 22 -4.281 1.779 -10.259 155 HA ALA 22 HA ALA 22 -1.821 2.297 -11.581 156 HB1 ALA 22 HB1 ALA 22 -4.526 2.149 -12.307 157 HB2 ALA 22 HB2 ALA 22 -3.135 2.373 -13.369 158 HB3 ALA 22 HB3 ALA 22 -3.994 3.778 -12.733 159 H ALA 23 HN ALA 23 -3.928 4.192 -9.568 160 HA ALA 23 HA ALA 23 -2.888 6.737 -10.333 161 HB1 ALA 23 HB1 ALA 23 -4.164 7.595 -8.418 162 HB2 ALA 23 HB2 ALA 23 -4.506 5.936 -7.919 163 HB3 ALA 23 HB3 ALA 23 -5.136 6.545 -9.451 164 H CYS 24 HN CYS 24 -2.343 4.577 -7.549 165 HA CYS 24 HA CYS 24 -0.368 6.392 -6.453 166 HB2 CYS 24 HB2 CYS 24 -2.020 4.738 -5.199 167 HB3 CYS 24 HB1 CYS 24 -0.696 3.607 -5.422 168 H GLY 25 HN GLY 25 -0.424 3.308 -8.171 169 HA2 GLY 25 HA2 GLY 25 1.362 2.713 -9.650 170 HA3 GLY 25 HA1 GLY 25 2.462 3.634 -8.634 171 H GLY 26 HN GLY 26 0.092 1.077 -7.875 172 HA2 GLY 26 HA2 GLY 26 1.392 -1.181 -7.616 173 HA3 GLY 26 HA1 GLY 26 2.200 -0.278 -6.342 174 H ILE 27 HN ILE 27 1.137 -2.394 -5.350 175 HA ILE 27 HA ILE 27 -1.530 -1.634 -4.368 176 HB ILE 27 HB ILE 27 -1.669 -3.687 -5.585 177 HG12 ILE 27 HG12 ILE 27 -2.440 -5.261 -3.803 178 HG13 ILE 27 HG11 ILE 27 -1.731 -4.184 -2.604 179 HG21 ILE 27 HG21 ILE 27 -0.390 -5.718 -4.693 180 HG22 ILE 27 HG22 ILE 27 0.681 -4.537 -3.933 181 HG23 ILE 27 HG23 ILE 27 0.489 -4.553 -5.690 182 HD11 ILE 27 HD11 ILE 27 -4.103 -3.812 -2.767 183 HD12 ILE 27 HD12 ILE 27 -3.967 -3.510 -4.498 184 HD13 ILE 27 HD13 ILE 27 -3.228 -2.397 -3.349 185 H ASP 28 HN ASP 28 -1.579 -0.904 -2.395 186 HA ASP 28 HA ASP 28 0.154 -2.074 -0.327 187 HB2 ASP 28 HB2 ASP 28 0.992 0.205 -1.183 188 HB3 ASP 28 HB1 ASP 28 -0.454 0.889 -0.451 189 H LEU 29 HN LEU 29 -1.565 0.669 0.559 190 HA LEU 29 HA LEU 29 -4.174 -0.253 0.902 191 HB2 LEU 29 HB2 LEU 29 -3.354 -1.844 2.487 192 HB3 LEU 29 HB1 LEU 29 -2.391 -0.630 3.303 193 HG LEU 29 HG LEU 29 -4.413 0.456 4.140 194 HD11 LEU 29 HD11 LEU 29 -6.225 0.195 2.813 195 HD12 LEU 29 HD12 LEU 29 -6.501 -1.205 3.856 196 HD13 LEU 29 HD13 LEU 29 -5.728 -1.416 2.285 197 HD21 LEU 29 HD21 LEU 29 -4.924 -2.372 4.818 198 HD22 LEU 29 HD22 LEU 29 -4.675 -0.979 5.871 199 HD23 LEU 29 HD23 LEU 29 -3.293 -1.766 5.105 200 HA PRO 30 HA PRO 30 -3.307 3.723 3.794 201 HB2 PRO 30 HB2 PRO 30 -0.929 4.879 2.767 202 HB3 PRO 30 HB1 PRO 30 -1.204 4.238 4.387 203 HG2 PRO 30 HG2 PRO 30 0.089 2.964 2.046 204 HG3 PRO 30 HG1 PRO 30 0.386 2.712 3.774 205 HD2 PRO 30 HD2 PRO 30 -0.909 0.893 2.296 206 HD3 PRO 30 HD1 PRO 30 -1.369 1.212 3.982 207 H CYS 31 HN CYS 31 -1.637 4.076 0.629 208 HA CYS 31 HA CYS 31 -3.223 6.393 0.075 209 HB2 CYS 31 HB2 CYS 31 -1.965 6.616 -1.963 210 HB3 CYS 31 HB1 CYS 31 -0.850 6.172 -0.678 211 H VAL 32 HN VAL 32 -3.234 3.050 -0.918 212 HA VAL 32 HA VAL 32 -4.990 3.257 -3.103 213 HB VAL 32 HB VAL 32 -4.805 0.819 -1.362 214 HG11 VAL 32 HG11 VAL 32 -6.233 0.556 -3.212 215 HG12 VAL 32 HG12 VAL 32 -4.725 -0.261 -3.633 216 HG13 VAL 32 HG13 VAL 32 -5.086 1.333 -4.300 217 HG21 VAL 32 HG21 VAL 32 -2.647 0.367 -1.853 218 HG22 VAL 32 HG22 VAL 32 -2.529 2.119 -1.982 219 HG23 VAL 32 HG23 VAL 32 -2.731 1.145 -3.435 220 H LEU 33 HN LEU 33 -5.516 3.449 0.270 221 HA LEU 33 HA LEU 33 -8.123 2.411 0.515 222 HB2 LEU 33 HB2 LEU 33 -6.599 2.931 2.401 223 HB3 LEU 33 HB1 LEU 33 -6.832 4.642 2.088 224 HG LEU 33 HG LEU 33 -9.303 4.269 2.526 225 HD11 LEU 33 HD11 LEU 33 -9.752 2.033 2.389 226 HD12 LEU 33 HD12 LEU 33 -9.537 2.200 4.131 227 HD13 LEU 33 HD13 LEU 33 -8.226 1.565 3.138 228 HD21 LEU 33 HD21 LEU 33 -7.086 4.391 4.393 229 HD22 LEU 33 HD22 LEU 33 -8.533 3.685 5.109 230 HD23 LEU 33 HD23 LEU 33 -8.604 5.287 4.376 231 H ALA 34 HN ALA 34 -6.917 5.421 -0.717 232 HA ALA 34 HA ALA 34 -9.039 7.154 -0.395 233 HB1 ALA 34 HB1 ALA 34 -6.628 7.201 -1.739 234 HB2 ALA 34 HB2 ALA 34 -7.790 8.526 -1.615 235 HB3 ALA 34 HB3 ALA 34 -7.825 7.447 -3.013 236 H ALA 35 HN ALA 35 -8.480 5.203 -3.346 237 HA ALA 35 HA ALA 35 -11.074 5.839 -4.380 238 HB1 ALA 35 HB1 ALA 35 -10.184 5.152 -6.290 239 HB2 ALA 35 HB2 ALA 35 -9.905 3.533 -5.641 240 HB3 ALA 35 HB3 ALA 35 -8.696 4.801 -5.414 241 H LEU 36 HN LEU 36 -9.918 3.493 -2.209 242 HA LEU 36 HA LEU 36 -11.864 1.464 -2.755 243 HB2 LEU 36 HB2 LEU 36 -9.664 1.037 -1.655 244 HB3 LEU 36 HB1 LEU 36 -10.245 1.893 -0.240 245 HG LEU 36 HG LEU 36 -12.076 0.196 -0.043 246 HD11 LEU 36 HD11 LEU 36 -11.632 -1.976 -1.227 247 HD12 LEU 36 HD12 LEU 36 -10.516 -1.091 -2.267 248 HD13 LEU 36 HD13 LEU 36 -12.225 -0.661 -2.242 249 HD21 LEU 36 HD21 LEU 36 -9.412 -1.170 0.015 250 HD22 LEU 36 HD22 LEU 36 -10.763 -1.307 1.141 251 HD23 LEU 36 HD23 LEU 36 -9.778 0.156 1.119 252 H LYS 37 HN LYS 37 -12.052 4.488 -1.311 253 HA LYS 37 HA LYS 37 -13.983 3.907 0.723 254 HB2 LYS 37 HB2 LYS 37 -12.456 5.897 0.714 255 HB3 LYS 37 HB1 LYS 37 -13.393 6.548 -0.623 256 HG2 LYS 37 HG2 LYS 37 -15.368 6.670 0.773 257 HG3 LYS 37 HG1 LYS 37 -14.490 5.938 2.117 258 HD2 LYS 37 HD2 LYS 37 -12.980 7.853 2.186 259 HD3 LYS 37 HD1 LYS 37 -13.819 8.571 0.807 260 HE2 LYS 37 HE2 LYS 37 -15.898 8.624 2.137 261 HE3 LYS 37 HE1 LYS 37 -15.008 7.989 3.521 262 HZ1 LYS 37 HZ1 LYS 37 -13.513 10.034 3.146 263 HZ2 LYS 37 HZ2 LYS 37 -15.023 10.249 3.886 264 HZ3 LYS 37 HZ3 LYS 37 -14.824 10.640 2.246 265 H ALA 38 HN ALA 38 -15.674 2.769 -0.185 266 HA ALA 38 HA ALA 38 -17.212 4.136 -2.294 267 HB1 ALA 38 HB1 ALA 38 -17.457 1.234 -1.543 268 HB2 ALA 38 HB2 ALA 38 -16.291 1.819 -2.732 269 HB3 ALA 38 HB3 ALA 38 -18.020 2.038 -3.010 270 H ALA 39 HN ALA 39 -17.189 3.588 0.962 271 HA ALA 39 HA ALA 39 -18.646 4.033 2.634 272 HB1 ALA 39 HB1 ALA 39 -20.736 5.133 2.239 273 HB2 ALA 39 HB2 ALA 39 -20.698 4.689 0.533 274 HB3 ALA 39 HB3 ALA 39 -19.511 5.824 1.175 275 H GLU 40 HN GLU 40 -20.649 2.490 0.083 276 HA GLU 40 HA GLU 40 -22.211 0.994 1.866 277 HB2 GLU 40 HB2 GLU 40 -21.551 0.474 -1.034 278 HB3 GLU 40 HB1 GLU 40 -22.745 -0.439 -0.124 279 HG2 GLU 40 HG2 GLU 40 -23.913 1.749 0.312 280 HG3 GLU 40 HG1 GLU 40 -22.823 2.466 -0.876 281 H GLY 41 HN GLY 41 -19.782 -0.414 -0.343 282 HA2 GLY 41 HA2 GLY 41 -18.710 -2.002 1.838 283 HA3 GLY 41 HA1 GLY 41 -19.592 -2.911 0.621 284 H CYS 42 HN CYS 42 -17.999 -4.043 -0.287 285 HA CYS 42 HA CYS 42 -16.341 -4.522 -1.755 286 HB2 CYS 42 HB2 CYS 42 -16.321 -1.535 -2.180 287 HB3 CYS 42 HB1 CYS 42 -15.235 -2.626 -3.028 288 H ALA 43 HN ALA 43 -16.009 -3.335 1.154 289 HA ALA 43 HA ALA 43 -13.124 -2.859 1.087 290 HB1 ALA 43 HB1 ALA 43 -14.405 -1.301 2.410 291 HB2 ALA 43 HB2 ALA 43 -13.399 -2.279 3.478 292 HB3 ALA 43 HB3 ALA 43 -15.123 -2.621 3.333 293 H SER 44 HN SER 44 -15.425 -5.307 1.819 294 HA SER 44 HA SER 44 -13.691 -6.842 3.529 295 HB2 SER 44 HB2 SER 44 -15.486 -8.614 3.205 296 HB3 SER 44 HB1 SER 44 -16.014 -7.101 3.942 297 HG SER 44 HG SER 44 -17.069 -8.244 1.870 298 H CYS 45 HN CYS 45 -13.185 -6.135 0.522 299 HA CYS 45 HA CYS 45 -12.445 -8.853 -0.340 300 HB2 CYS 45 HB2 CYS 45 -13.933 -7.701 -1.913 301 HB3 CYS 45 HB1 CYS 45 -12.825 -6.335 -1.980 302 H PHE 46 HN PHE 46 -11.306 -5.498 -0.739 303 HA PHE 46 HA PHE 46 -8.594 -6.234 -1.113 304 HB2 PHE 46 HB2 PHE 46 -9.517 -4.115 -1.943 305 HB3 PHE 46 HB1 PHE 46 -9.822 -3.587 -0.296 306 HD1 PHE 46 HD2 PHE 46 -6.742 -5.292 -0.308 307 HD2 PHE 46 HD1 PHE 46 -8.544 -1.610 -1.449 308 HE1 PHE 46 HE2 PHE 46 -4.542 -4.200 -0.252 309 HE2 PHE 46 HE1 PHE 46 -6.351 -0.521 -1.408 310 HZ PHE 46 HZ PHE 46 -4.342 -1.814 -0.796 311 H CYS 47 HN CYS 47 -10.206 -4.591 1.618 312 HA CYS 47 HA CYS 47 -7.981 -4.994 3.363 313 HB2 CYS 47 HB2 CYS 47 -10.806 -4.078 3.876 314 HB3 CYS 47 HB1 CYS 47 -9.559 -4.146 5.117 315 H GLU 48 HN GLU 48 -9.629 -7.359 2.184 316 HA GLU 48 HA GLU 48 -10.921 -8.739 4.222 317 HB2 GLU 48 HB2 GLU 48 -10.797 -9.315 1.753 318 HB3 GLU 48 HB1 GLU 48 -9.212 -9.994 2.075 319 HG2 GLU 48 HG2 GLU 48 -10.086 -11.680 3.450 320 HG3 GLU 48 HG1 GLU 48 -11.665 -10.897 3.535 321 H ASP 49 HN ASP 49 -7.552 -8.961 3.174 322 HA ASP 49 HA ASP 49 -6.839 -10.410 5.613 323 HB2 ASP 49 HB2 ASP 49 -5.999 -10.659 3.000 324 HB3 ASP 49 HB1 ASP 49 -4.706 -9.700 3.715 325 H HIS 50 HN HIS 50 -6.817 -7.348 4.174 326 HA HIS 50 HA HIS 50 -4.782 -6.231 5.967 327 HB2 HIS 50 HB2 HIS 50 -6.320 -4.839 3.759 328 HB3 HIS 50 HB1 HIS 50 -4.863 -4.271 4.561 329 HD2 HIS 50 HD2 HIS 50 -5.921 -6.534 1.617 330 HE1 HIS 50 HE1 HIS 50 -1.687 -6.699 1.915 331 HE2 HIS 50 HE2 HIS 50 -3.716 -7.497 0.647 332 H CYS 51 HN CYS 51 -6.376 -6.662 7.803 333 HA CYS 51 HA CYS 51 -8.640 -4.835 7.851 334 HB2 CYS 51 HB2 CYS 51 -7.766 -7.011 9.740 335 HB3 CYS 51 HB1 CYS 51 -9.109 -5.929 10.086 336 H HIS 52 HN HIS 52 -5.420 -4.451 8.647 337 HA HIS 52 HA HIS 52 -6.207 -2.567 10.725 338 HB2 HIS 52 HB2 HIS 52 -4.027 -2.760 11.792 339 HB3 HIS 52 HB1 HIS 52 -4.840 -4.309 11.729 340 HD2 HIS 52 HD2 HIS 52 -3.063 -6.240 11.186 341 HE1 HIS 52 HE1 HIS 52 -0.367 -3.976 8.824 342 HE2 HIS 52 HE2 HIS 52 -1.007 -6.281 9.602 343 H GLY 53 HN GLY 53 -3.661 -1.237 10.842 344 HA2 GLY 53 HA2 GLY 53 -2.526 0.482 9.809 345 HA3 GLY 53 HA1 GLY 53 -2.957 -0.251 8.269 346 H VAL 54 HN VAL 54 -3.844 1.315 7.056 347 HA VAL 54 HA VAL 54 -5.353 3.454 8.216 348 HB VAL 54 HB VAL 54 -5.727 4.228 5.929 349 HG11 VAL 54 HG11 VAL 54 -3.681 5.023 6.648 350 HG12 VAL 54 HG12 VAL 54 -3.236 4.176 5.165 351 HG13 VAL 54 HG13 VAL 54 -2.965 3.410 6.735 352 HG21 VAL 54 HG21 VAL 54 -4.366 1.684 5.077 353 HG22 VAL 54 HG22 VAL 54 -4.856 3.005 4.020 354 HG23 VAL 54 HG23 VAL 54 -6.074 2.057 4.871 355 H CYS 55 HN CYS 55 -6.156 0.291 7.066 356 HA CYS 55 HA CYS 55 -8.883 1.024 6.449 357 HB2 CYS 55 HB2 CYS 55 -7.419 -0.958 5.472 358 HB3 CYS 55 HB1 CYS 55 -8.147 -1.829 6.819 359 H LYS 56 HN LYS 56 -7.144 -0.010 9.226 360 HA LYS 56 HA LYS 56 -9.519 -0.930 10.596 361 HB2 LYS 56 HB2 LYS 56 -8.163 -1.461 12.386 362 HB3 LYS 56 HB1 LYS 56 -7.004 -1.545 11.072 363 HG2 LYS 56 HG2 LYS 56 -5.743 -0.280 12.432 364 HG3 LYS 56 HG1 LYS 56 -6.729 1.047 11.815 365 HD2 LYS 56 HD2 LYS 56 -8.293 0.714 13.718 366 HD3 LYS 56 HD1 LYS 56 -7.200 -0.516 14.358 367 HE2 LYS 56 HE2 LYS 56 -6.586 2.410 13.943 368 HE3 LYS 56 HE1 LYS 56 -6.841 1.598 15.489 369 HZ1 LYS 56 HZ1 LYS 56 -4.584 1.582 15.406 370 HZ2 LYS 56 HZ2 LYS 56 -4.520 1.532 13.714 371 HZ3 LYS 56 HZ3 LYS 56 -4.871 0.123 14.586 372 H ASP 57 HN ASP 57 -8.190 2.012 9.752 373 HA ASP 57 HA ASP 57 -9.282 3.534 11.969 374 HB2 ASP 57 HB2 ASP 57 -7.075 4.100 10.972 375 HB3 ASP 57 HB1 ASP 57 -7.886 4.488 9.460 376 H LEU 58 HN LEU 58 -9.616 3.687 8.401 377 HA LEU 58 HA LEU 58 -12.039 5.226 8.639 378 HB2 LEU 58 HB2 LEU 58 -10.313 5.465 6.797 379 HB3 LEU 58 HB1 LEU 58 -10.935 3.965 6.135 380 HG LEU 58 HG LEU 58 -13.151 5.017 5.850 381 HD11 LEU 58 HD11 LEU 58 -12.979 6.652 7.665 382 HD12 LEU 58 HD12 LEU 58 -13.417 7.411 6.134 383 HD13 LEU 58 HD13 LEU 58 -11.765 7.542 6.740 384 HD21 LEU 58 HD21 LEU 58 -11.291 5.067 4.109 385 HD22 LEU 58 HD22 LEU 58 -11.061 6.754 4.575 386 HD23 LEU 58 HD23 LEU 58 -12.608 6.224 3.910 387 H HIS 59 HN HIS 59 -11.565 2.294 6.670 388 HA HIS 59 HA HIS 59 -14.301 1.518 7.249 389 HB2 HIS 59 HB2 HIS 59 -12.330 0.096 5.445 390 HB3 HIS 59 HB1 HIS 59 -14.079 -0.091 5.468 391 HD2 HIS 59 HD2 HIS 59 -11.611 1.503 3.282 392 HE1 HIS 59 HE1 HIS 59 -14.982 4.069 3.049 393 HE2 HIS 59 HE2 HIS 59 -12.707 3.525 2.104 394 H LEU 60 HN LEU 60 -12.954 -1.326 6.571 395 HA LEU 60 HA LEU 60 -11.518 -2.002 8.885 396 HB2 LEU 60 HB2 LEU 60 -14.101 -1.739 9.550 397 HB3 LEU 60 HB1 LEU 60 -14.143 -3.391 8.954 398 HG LEU 60 HG LEU 60 -12.468 -4.070 10.570 399 HD11 LEU 60 HD11 LEU 60 -11.050 -2.647 11.524 400 HD12 LEU 60 HD12 LEU 60 -12.371 -1.672 12.163 401 HD13 LEU 60 HD13 LEU 60 -11.758 -1.367 10.535 402 HD21 LEU 60 HD21 LEU 60 -14.888 -2.610 11.522 403 HD22 LEU 60 HD22 LEU 60 -13.739 -3.231 12.709 404 HD23 LEU 60 HD23 LEU 60 -14.516 -4.334 11.573 405 H CYS 61 HN CYS 61 -14.022 -3.996 7.530 406 HA CYS 61 HA CYS 61 -12.975 -5.107 5.310 407 HB2 CYS 61 HB2 CYS 61 -12.027 -7.322 6.244 408 HB3 CYS 61 HB1 CYS 61 -10.977 -5.919 6.180 409 H1 ALA 62 HT1 ALA 62 32.450 -8.185 2.043 410 H2 ALA 62 HT2 ALA 62 31.394 -9.110 1.041 411 H3 ALA 62 HT3 ALA 62 31.571 -9.504 2.705 412 HA ALA 62 HA ALA 62 30.571 -6.912 1.762 413 HB1 ALA 62 HB1 ALA 62 28.832 -9.187 2.676 414 HB2 ALA 62 HB2 ALA 62 29.199 -8.910 0.973 415 HB3 ALA 62 HB3 ALA 62 28.354 -7.672 1.904 416 H MET 63 HN MET 63 30.353 -5.526 3.387 417 HA MET 63 HA MET 63 30.637 -6.569 6.120 418 HB2 MET 63 HB2 MET 63 31.293 -4.263 6.749 419 HB3 MET 63 HB1 MET 63 32.373 -4.978 5.561 420 HG2 MET 63 HG2 MET 63 31.424 -3.668 3.805 421 HG3 MET 63 HG1 MET 63 30.136 -3.090 4.860 422 HE1 MET 63 HE1 MET 63 33.768 -3.642 4.623 423 HE2 MET 63 HE2 MET 63 34.321 -2.752 6.040 424 HE3 MET 63 HE3 MET 63 34.418 -2.013 4.443 425 H GLY 64 HN GLY 64 28.988 -6.416 7.503 426 HA2 GLY 64 HA2 GLY 64 27.170 -5.079 8.429 427 HA3 GLY 64 HA1 GLY 64 26.779 -4.593 6.786 428 H LYS 65 HN LYS 65 24.773 -5.503 8.281 429 HA LYS 65 HA LYS 65 24.404 -8.339 7.635 430 HB2 LYS 65 HB2 LYS 65 23.965 -7.610 9.950 431 HB3 LYS 65 HB1 LYS 65 22.765 -6.472 9.362 432 HG2 LYS 65 HG2 LYS 65 21.459 -8.412 8.477 433 HG3 LYS 65 HG1 LYS 65 22.617 -9.477 9.280 434 HD2 LYS 65 HD2 LYS 65 20.684 -9.187 10.695 435 HD3 LYS 65 HD1 LYS 65 22.072 -8.385 11.437 436 HE2 LYS 65 HE2 LYS 65 21.229 -6.258 10.302 437 HE3 LYS 65 HE1 LYS 65 19.734 -7.144 10.000 438 HZ1 LYS 65 HZ1 LYS 65 20.903 -6.840 12.715 439 HZ2 LYS 65 HZ2 LYS 65 19.338 -7.355 12.308 440 HZ3 LYS 65 HZ3 LYS 65 19.788 -5.734 12.062 441 H CYS 66 HN CYS 66 22.986 -5.148 7.091 442 HA CYS 66 HA CYS 66 21.122 -6.360 5.170 443 HB2 CYS 66 HB2 CYS 66 21.003 -3.845 6.801 444 HB3 CYS 66 HB1 CYS 66 19.982 -4.057 5.384 445 H SER 67 HN SER 67 20.618 -5.259 3.256 446 HA SER 67 HA SER 67 21.885 -3.047 2.173 447 HB2 SER 67 HB2 SER 67 23.400 -4.100 0.512 448 HB3 SER 67 HB1 SER 67 23.957 -4.363 2.162 449 HG SER 67 HG SER 67 24.103 -6.298 1.102 450 H VAL 68 HN VAL 68 21.838 -3.728 -0.550 451 HA VAL 68 HA VAL 68 18.982 -4.169 -0.860 452 HB VAL 68 HB VAL 68 20.947 -3.607 -3.082 453 HG11 VAL 68 HG11 VAL 68 18.015 -2.958 -2.828 454 HG12 VAL 68 HG12 VAL 68 18.665 -4.353 -3.686 455 HG13 VAL 68 HG13 VAL 68 19.039 -2.725 -4.246 456 HG21 VAL 68 HG21 VAL 68 19.962 -1.823 -0.956 457 HG22 VAL 68 HG22 VAL 68 19.835 -1.196 -2.596 458 HG23 VAL 68 HG23 VAL 68 21.402 -1.700 -1.970 459 H LEU 69 HN LEU 69 21.996 -5.799 -1.378 460 HA LEU 69 HA LEU 69 20.733 -7.911 -2.942 461 HB2 LEU 69 HB2 LEU 69 23.031 -7.100 -3.496 462 HB3 LEU 69 HB1 LEU 69 23.578 -7.699 -1.942 463 HG LEU 69 HG LEU 69 22.940 -10.002 -2.654 464 HD11 LEU 69 HD11 LEU 69 21.411 -10.006 -4.306 465 HD12 LEU 69 HD12 LEU 69 22.841 -9.998 -5.335 466 HD13 LEU 69 HD13 LEU 69 21.993 -8.490 -5.001 467 HD21 LEU 69 HD21 LEU 69 24.975 -10.351 -3.584 468 HD22 LEU 69 HD22 LEU 69 25.218 -8.669 -3.113 469 HD23 LEU 69 HD23 LEU 69 24.781 -9.069 -4.776 470 H LYS 70 HN LYS 70 22.121 -7.358 0.252 471 HA LYS 70 HA LYS 70 21.485 -10.062 1.065 472 HB2 LYS 70 HB2 LYS 70 22.650 -7.716 2.577 473 HB3 LYS 70 HB1 LYS 70 22.369 -9.297 3.271 474 HG2 LYS 70 HG2 LYS 70 23.880 -10.205 1.431 475 HG3 LYS 70 HG1 LYS 70 24.326 -8.523 1.141 476 HD2 LYS 70 HD2 LYS 70 25.962 -9.058 2.620 477 HD3 LYS 70 HD1 LYS 70 24.717 -8.586 3.777 478 HE2 LYS 70 HE2 LYS 70 25.459 -11.385 2.913 479 HE3 LYS 70 HE1 LYS 70 25.714 -10.659 4.498 480 HZ1 LYS 70 HZ1 LYS 70 23.220 -10.478 4.632 481 HZ2 LYS 70 HZ2 LYS 70 23.847 -12.049 4.693 482 HZ3 LYS 70 HZ3 LYS 70 23.141 -11.473 3.257 483 H LYS 71 HN LYS 71 19.433 -8.202 0.169 484 HA LYS 71 HA LYS 71 17.937 -7.196 2.337 485 HB2 LYS 71 HB2 LYS 71 16.134 -6.918 0.774 486 HB3 LYS 71 HB1 LYS 71 17.629 -6.531 -0.063 487 HG2 LYS 71 HG2 LYS 71 17.602 -8.678 -1.184 488 HG3 LYS 71 HG1 LYS 71 16.173 -9.165 -0.269 489 HD2 LYS 71 HD2 LYS 71 15.073 -7.065 -1.282 490 HD3 LYS 71 HD1 LYS 71 16.407 -7.097 -2.436 491 HE2 LYS 71 HE2 LYS 71 14.488 -9.357 -1.898 492 HE3 LYS 71 HE1 LYS 71 14.403 -8.258 -3.275 493 HZ1 LYS 71 HZ1 LYS 71 16.915 -9.179 -3.454 494 HZ2 LYS 71 HZ2 LYS 71 15.594 -9.845 -4.267 495 HZ3 LYS 71 HZ3 LYS 71 16.123 -10.540 -2.820 496 H VAL 72 HN VAL 72 18.480 -10.304 1.107 497 HA VAL 72 HA VAL 72 16.134 -11.668 1.821 498 HB VAL 72 HB VAL 72 18.891 -12.864 2.020 499 HG11 VAL 72 HG11 VAL 72 16.230 -13.910 2.045 500 HG12 VAL 72 HG12 VAL 72 17.765 -14.767 2.206 501 HG13 VAL 72 HG13 VAL 72 17.075 -14.490 0.609 502 HG21 VAL 72 HG21 VAL 72 18.204 -11.396 -0.124 503 HG22 VAL 72 HG22 VAL 72 17.530 -12.956 -0.590 504 HG23 VAL 72 HG23 VAL 72 19.245 -12.816 -0.203 505 H ALA 73 HN ALA 73 18.590 -10.296 3.815 506 HA ALA 73 HA ALA 73 17.929 -12.003 6.083 507 HB1 ALA 73 HB1 ALA 73 19.835 -11.205 7.119 508 HB2 ALA 73 HB2 ALA 73 19.796 -9.674 6.242 509 HB3 ALA 73 HB3 ALA 73 20.293 -11.151 5.415 510 H CYS 74 HN CYS 74 15.980 -10.016 4.923 511 HA CYS 74 HA CYS 74 15.803 -8.107 7.129 512 HB2 CYS 74 HB2 CYS 74 14.057 -7.001 5.857 513 HB3 CYS 74 HB1 CYS 74 15.482 -7.245 4.854 514 H ALA 75 HN ALA 75 14.588 -11.129 6.292 515 HA ALA 75 HA ALA 75 11.964 -11.036 7.248 516 HB1 ALA 75 HB1 ALA 75 12.182 -13.471 7.556 517 HB2 ALA 75 HB2 ALA 75 13.918 -13.333 7.282 518 HB3 ALA 75 HB3 ALA 75 12.788 -12.931 5.989 519 H ALA 76 HN ALA 76 15.021 -11.396 8.940 520 HA ALA 76 HA ALA 76 13.863 -12.042 11.476 521 HB1 ALA 76 HB1 ALA 76 16.570 -11.461 10.443 522 HB2 ALA 76 HB2 ALA 76 16.003 -12.773 11.476 523 HB3 ALA 76 HB3 ALA 76 16.296 -11.174 12.158 524 H ALA 77 HN ALA 77 13.695 -9.217 9.785 525 HA ALA 77 HA ALA 77 13.603 -7.636 12.272 526 HB1 ALA 77 HB1 ALA 77 14.231 -5.656 10.886 527 HB2 ALA 77 HB2 ALA 77 14.556 -6.763 9.552 528 HB3 ALA 77 HB3 ALA 77 15.497 -6.875 11.041 529 H ILE 78 HN ILE 78 11.875 -8.756 9.580 530 HA ILE 78 HA ILE 78 9.864 -6.627 9.853 531 HB ILE 78 HB ILE 78 10.783 -7.015 7.612 532 HG12 ILE 78 HG12 ILE 78 8.337 -6.268 8.025 533 HG13 ILE 78 HG11 ILE 78 8.793 -6.779 6.407 534 HG21 ILE 78 HG21 ILE 78 11.207 -9.004 6.823 535 HG22 ILE 78 HG22 ILE 78 9.475 -9.325 6.729 536 HG23 ILE 78 HG23 ILE 78 10.373 -9.749 8.187 537 HD11 ILE 78 HD11 ILE 78 6.804 -7.859 6.665 538 HD12 ILE 78 HD12 ILE 78 7.041 -8.123 8.394 539 HD13 ILE 78 HD13 ILE 78 7.921 -9.107 7.222 540 H ALA 79 HN ALA 79 10.221 -10.112 9.646 541 HA ALA 79 HA ALA 79 7.580 -10.889 10.053 542 HB1 ALA 79 HB1 ALA 79 8.678 -13.000 11.079 543 HB2 ALA 79 HB2 ALA 79 10.188 -12.240 10.580 544 HB3 ALA 79 HB3 ALA 79 8.950 -12.609 9.381 545 H GLY 80 HN GLY 80 9.807 -9.623 12.391 546 HA2 GLY 80 HA2 GLY 80 8.476 -10.710 14.685 547 HA3 GLY 80 HA1 GLY 80 9.680 -9.430 14.692 548 H ALA 81 HN ALA 81 8.036 -7.921 12.677 549 HA ALA 81 HA ALA 81 6.430 -6.512 14.596 550 HB1 ALA 81 HB1 ALA 81 5.940 -5.045 12.542 551 HB2 ALA 81 HB2 ALA 81 7.192 -6.003 11.748 552 HB3 ALA 81 HB3 ALA 81 7.580 -5.063 13.190 553 H VAL 82 HN VAL 82 5.923 -8.971 12.301 554 HA VAL 82 HA VAL 82 3.307 -8.457 11.473 555 HB VAL 82 HB VAL 82 4.709 -11.107 11.868 556 HG11 VAL 82 HG11 VAL 82 2.465 -11.622 11.606 557 HG12 VAL 82 HG12 VAL 82 3.121 -11.750 9.977 558 HG13 VAL 82 HG13 VAL 82 2.201 -10.324 10.450 559 HG21 VAL 82 HG21 VAL 82 5.478 -10.942 9.643 560 HG22 VAL 82 HG22 VAL 82 5.837 -9.384 10.385 561 HG23 VAL 82 HG23 VAL 82 4.451 -9.547 9.309 562 H ALA 83 HN ALA 83 4.588 -10.311 14.207 563 HA ALA 83 HA ALA 83 2.078 -11.146 15.218 564 HB1 ALA 83 HB1 ALA 83 4.875 -11.235 16.104 565 HB2 ALA 83 HB2 ALA 83 3.625 -12.476 16.163 566 HB3 ALA 83 HB3 ALA 83 3.677 -11.221 17.400 567 H ALA 84 HN ALA 84 4.021 -8.278 15.677 568 HA ALA 84 HA ALA 84 2.729 -7.314 18.001 569 HB1 ALA 84 HB1 ALA 84 4.912 -6.542 16.489 570 HB2 ALA 84 HB2 ALA 84 4.278 -5.719 17.911 571 HB3 ALA 84 HB3 ALA 84 3.770 -5.210 16.303 572 H CYS 85 HN CYS 85 2.090 -6.918 14.561 573 HA CYS 85 HA CYS 85 -0.105 -5.076 15.123 574 HB2 CYS 85 HB2 CYS 85 1.231 -6.011 12.609 575 HB3 CYS 85 HB1 CYS 85 -0.341 -5.223 12.548 576 H GLY 86 HN GLY 86 0.353 -8.407 14.794 577 HA2 GLY 86 HA2 GLY 86 -1.172 -10.135 14.803 578 HA3 GLY 86 HA1 GLY 86 -2.444 -8.934 15.004 579 H GLY 87 HN GLY 87 -0.065 -9.245 12.427 580 HA2 GLY 87 HA2 GLY 87 -1.224 -10.579 10.438 581 HA3 GLY 87 HA1 GLY 87 -2.190 -9.108 10.441 582 H ILE 88 HN ILE 88 -0.045 -10.350 8.583 583 HA ILE 88 HA ILE 88 1.914 -8.202 8.610 584 HB ILE 88 HB ILE 88 2.940 -10.273 8.219 585 HG12 ILE 88 HG12 ILE 88 3.742 -10.064 5.816 586 HG13 ILE 88 HG11 ILE 88 2.565 -8.761 5.644 587 HG21 ILE 88 HG21 ILE 88 2.225 -11.701 6.219 588 HG22 ILE 88 HG22 ILE 88 0.717 -10.783 6.276 589 HG23 ILE 88 HG23 ILE 88 1.219 -11.745 7.669 590 HD11 ILE 88 HD11 ILE 88 4.315 -8.460 7.953 591 HD12 ILE 88 HD12 ILE 88 3.854 -7.300 6.705 592 HD13 ILE 88 HD13 ILE 88 5.153 -8.454 6.401 593 H ASP 89 HN ASP 89 1.503 -6.387 7.632 594 HA ASP 89 HA ASP 89 0.165 -6.437 5.018 595 HB2 ASP 89 HB2 ASP 89 -0.332 -4.460 7.256 596 HB3 ASP 89 HB1 ASP 89 -0.920 -4.267 5.611 597 H LEU 90 HN LEU 90 1.135 -3.565 6.746 598 HA LEU 90 HA LEU 90 3.766 -3.241 6.021 599 HB2 LEU 90 HB2 LEU 90 3.236 -3.337 3.701 600 HB3 LEU 90 HB1 LEU 90 1.880 -2.249 3.889 601 HG LEU 90 HG LEU 90 3.301 -0.351 4.106 602 HD11 LEU 90 HD11 LEU 90 5.680 -0.388 4.239 603 HD12 LEU 90 HD12 LEU 90 5.720 -2.145 4.049 604 HD13 LEU 90 HD13 LEU 90 5.057 -1.432 5.522 605 HD21 LEU 90 HD21 LEU 90 3.254 -1.969 1.853 606 HD22 LEU 90 HD22 LEU 90 4.943 -1.485 2.023 607 HD23 LEU 90 HD23 LEU 90 3.677 -0.257 1.925 608 HA PRO 91 HA PRO 91 1.401 1.223 6.715 609 HB2 PRO 91 HB2 PRO 91 -0.671 -0.271 8.284 610 HB3 PRO 91 HB1 PRO 91 -0.782 1.307 7.492 611 HG2 PRO 91 HG2 PRO 91 -1.759 -0.928 6.352 612 HG3 PRO 91 HG1 PRO 91 -1.051 0.385 5.398 613 HD2 PRO 91 HD2 PRO 91 -0.022 -2.314 5.899 614 HD3 PRO 91 HD1 PRO 91 0.447 -1.142 4.653 615 H CYS 92 HN CYS 92 0.756 -1.164 9.328 616 HA CYS 92 HA CYS 92 2.218 0.566 11.122 617 HB2 CYS 92 HB2 CYS 92 1.374 -0.854 12.925 618 HB3 CYS 92 HB1 CYS 92 0.071 -0.291 11.886 619 H VAL 93 HN VAL 93 2.562 -2.558 9.653 620 HA VAL 93 HA VAL 93 4.501 -3.712 11.251 621 HB VAL 93 HB VAL 93 4.458 -4.015 8.256 622 HG11 VAL 93 HG11 VAL 93 6.062 -5.173 9.966 623 HG12 VAL 93 HG12 VAL 93 5.369 -6.080 8.619 624 HG13 VAL 93 HG13 VAL 93 4.670 -6.219 10.233 625 HG21 VAL 93 HG21 VAL 93 2.732 -5.897 9.545 626 HG22 VAL 93 HG22 VAL 93 2.358 -4.756 8.252 627 HG23 VAL 93 HG23 VAL 93 2.209 -4.261 9.940 628 H LEU 94 HN LEU 94 4.761 -1.209 8.849 629 HA LEU 94 HA LEU 94 7.511 -1.292 8.299 630 HB2 LEU 94 HB2 LEU 94 5.867 -0.007 7.006 631 HB3 LEU 94 HB1 LEU 94 5.637 1.070 8.370 632 HG LEU 94 HG LEU 94 8.271 1.375 8.058 633 HD11 LEU 94 HD11 LEU 94 7.236 0.716 5.310 634 HD12 LEU 94 HD12 LEU 94 8.485 -0.150 6.203 635 HD13 LEU 94 HD13 LEU 94 8.775 1.498 5.649 636 HD21 LEU 94 HD21 LEU 94 5.998 2.743 6.669 637 HD22 LEU 94 HD22 LEU 94 7.657 3.324 6.541 638 HD23 LEU 94 HD23 LEU 94 6.870 3.245 8.119 639 H ALA 95 HN ALA 95 5.697 0.161 10.925 640 HA ALA 95 HA ALA 95 7.644 1.910 11.913 641 HB1 ALA 95 HB1 ALA 95 6.343 1.831 14.026 642 HB2 ALA 95 HB2 ALA 95 5.364 0.548 13.317 643 HB3 ALA 95 HB3 ALA 95 5.374 2.153 12.588 644 H ALA 96 HN ALA 96 7.648 -1.532 12.082 645 HA ALA 96 HA ALA 96 9.752 -1.321 14.136 646 HB1 ALA 96 HB1 ALA 96 8.129 -2.311 15.408 647 HB2 ALA 96 HB2 ALA 96 8.951 -3.731 14.757 648 HB3 ALA 96 HB3 ALA 96 7.432 -3.188 14.039 649 H LEU 97 HN LEU 97 9.750 -1.620 11.076 650 HA LEU 97 HA LEU 97 11.264 -4.140 10.975 651 HB2 LEU 97 HB2 LEU 97 10.298 -4.554 9.028 652 HB3 LEU 97 HB1 LEU 97 9.308 -3.127 9.260 653 HG LEU 97 HG LEU 97 12.005 -2.741 8.050 654 HD11 LEU 97 HD11 LEU 97 10.019 -4.536 6.971 655 HD12 LEU 97 HD12 LEU 97 11.662 -4.203 6.420 656 HD13 LEU 97 HD13 LEU 97 10.326 -3.179 5.890 657 HD21 LEU 97 HD21 LEU 97 9.701 -1.533 6.769 658 HD22 LEU 97 HD22 LEU 97 11.147 -0.779 7.440 659 HD23 LEU 97 HD23 LEU 97 9.780 -1.152 8.490 660 H LYS 98 HN LYS 98 11.694 -0.863 11.171 661 HA LYS 98 HA LYS 98 13.648 0.007 9.540 662 HB2 LYS 98 HB2 LYS 98 12.617 1.224 11.472 663 HB3 LYS 98 HB1 LYS 98 13.724 0.374 12.538 664 HG2 LYS 98 HG2 LYS 98 15.615 1.449 11.533 665 HG3 LYS 98 HG1 LYS 98 14.598 2.177 10.288 666 HD2 LYS 98 HD2 LYS 98 13.395 3.440 12.013 667 HD3 LYS 98 HD1 LYS 98 14.421 2.724 13.255 668 HE2 LYS 98 HE2 LYS 98 15.335 4.507 10.995 669 HE3 LYS 98 HE1 LYS 98 15.165 4.976 12.687 670 HZ1 LYS 98 HZ1 LYS 98 16.784 2.724 12.655 671 HZ2 LYS 98 HZ2 LYS 98 17.243 4.328 12.987 672 HZ3 LYS 98 HZ3 LYS 98 17.348 3.728 11.400 673 H ALA 99 HN ALA 99 15.386 -1.018 8.786 674 HA ALA 99 HA ALA 99 17.008 -2.608 10.662 675 HB1 ALA 99 HB1 ALA 99 16.331 -4.067 8.995 676 HB2 ALA 99 HB2 ALA 99 17.946 -3.582 8.469 677 HB3 ALA 99 HB3 ALA 99 16.519 -2.858 7.722 678 H ALA 100 HN ALA 100 16.984 0.351 9.294 679 HA ALA 100 HA ALA 100 18.490 2.032 9.188 680 HB1 ALA 100 HB1 ALA 100 19.682 1.623 11.070 681 HB2 ALA 100 HB2 ALA 100 20.955 1.370 9.878 682 HB3 ALA 100 HB3 ALA 100 20.117 -0.012 10.581 683 H GLU 101 HN GLU 101 20.790 -0.562 8.360 684 HA GLU 101 HA GLU 101 21.511 0.902 5.982 685 HB2 GLU 101 HB2 GLU 101 22.559 -1.705 7.083 686 HB3 GLU 101 HB1 GLU 101 23.214 -0.884 5.676 687 HG2 GLU 101 HG2 GLU 101 23.728 1.065 7.106 688 HG3 GLU 101 HG1 GLU 101 23.182 0.140 8.505 689 H GLY 102 HN GLY 102 18.930 0.165 5.552 690 HA2 GLY 102 HA2 GLY 102 18.065 -0.546 3.434 691 HA3 GLY 102 HA1 GLY 102 19.311 -1.779 3.379 692 H CYS 103 HN CYS 103 17.976 -3.467 2.992 693 HA CYS 103 HA CYS 103 16.730 -5.282 3.516 694 HB2 CYS 103 HB2 CYS 103 17.029 -4.101 6.239 695 HB3 CYS 103 HB1 CYS 103 15.817 -5.350 5.994 696 H ALA 104 HN ALA 104 15.652 -2.558 2.746 697 HA ALA 104 HA ALA 104 12.844 -3.023 3.526 698 HB1 ALA 104 HB1 ALA 104 12.393 -0.721 3.204 699 HB2 ALA 104 HB2 ALA 104 13.949 -0.453 2.412 700 HB3 ALA 104 HB3 ALA 104 13.888 -0.801 4.143 701 H SER 105 HN SER 105 15.062 -3.316 1.067 702 HA SER 105 HA SER 105 13.359 -2.740 -1.167 703 HB2 SER 105 HB2 SER 105 15.273 -3.912 -2.417 704 HB3 SER 105 HB1 SER 105 15.662 -2.418 -1.558 705 HG SER 105 HG SER 105 17.215 -3.833 -0.950 706 H CYS 106 HN CYS 106 13.812 -5.417 0.909 707 HA CYS 106 HA CYS 106 13.023 -7.464 -0.958 708 HB2 CYS 106 HB2 CYS 106 12.761 -8.809 1.218 709 HB3 CYS 106 HB1 CYS 106 14.379 -8.212 0.844 710 H PHE 107 HN PHE 107 11.522 -6.208 1.992 711 HA PHE 107 HA PHE 107 8.980 -7.299 1.577 712 HB2 PHE 107 HB2 PHE 107 9.877 -6.479 3.742 713 HB3 PHE 107 HB1 PHE 107 9.766 -4.832 3.147 714 HD1 PHE 107 HD2 PHE 107 6.970 -6.470 1.874 715 HD2 PHE 107 HD1 PHE 107 8.573 -4.958 5.511 716 HE1 PHE 107 HE2 PHE 107 4.701 -6.292 2.797 717 HE2 PHE 107 HE1 PHE 107 6.318 -4.790 6.449 718 HZ PHE 107 HZ PHE 107 4.369 -5.444 5.075 719 H CYS 108 HN CYS 108 9.970 -3.891 1.252 720 HA CYS 108 HA CYS 108 7.600 -3.353 -0.332 721 HB2 CYS 108 HB2 CYS 108 9.814 -1.509 0.555 722 HB3 CYS 108 HB1 CYS 108 8.279 -1.026 -0.158 723 H GLU 109 HN GLU 109 9.005 -5.026 -1.837 724 HA GLU 109 HA GLU 109 10.947 -3.719 -3.486 725 HB2 GLU 109 HB2 GLU 109 10.444 -6.294 -3.002 726 HB3 GLU 109 HB1 GLU 109 9.449 -6.120 -4.441 727 HG2 GLU 109 HG2 GLU 109 11.347 -5.390 -5.726 728 HG3 GLU 109 HG1 GLU 109 12.370 -5.426 -4.291 729 H ASP 110 HN ASP 110 7.715 -5.019 -4.244 730 HA ASP 110 HA ASP 110 7.506 -3.255 -6.551 731 HB2 ASP 110 HB2 ASP 110 6.692 -5.694 -6.456 732 HB3 ASP 110 HB1 ASP 110 5.363 -5.092 -5.472 733 H HIS 111 HN HIS 111 6.941 -3.118 -3.287 734 HA HIS 111 HA HIS 111 4.740 -1.171 -3.527 735 HB2 HIS 111 HB2 HIS 111 5.699 -2.162 -0.874 736 HB3 HIS 111 HB1 HIS 111 4.080 -1.695 -1.371 737 HD2 HIS 111 HD2 HIS 111 5.733 -4.797 -0.334 738 HE1 HIS 111 HE1 HIS 111 2.956 -6.065 -3.287 739 HE2 HIS 111 HE2 HIS 111 4.295 -6.743 -1.255 740 H CYS 112 HN CYS 112 6.065 0.640 -4.158 741 HA CYS 112 HA CYS 112 7.906 1.507 -2.027 742 HB2 CYS 112 HB2 CYS 112 8.019 2.061 -4.989 743 HB3 CYS 112 HB1 CYS 112 9.003 2.919 -3.807 744 H HIS 113 HN HIS 113 5.130 2.013 -1.856 745 HA HIS 113 HA HIS 113 5.251 4.893 -1.705 746 HB2 HIS 113 HB2 HIS 113 2.955 5.149 -2.641 747 HB3 HIS 113 HB1 HIS 113 4.158 4.677 -3.825 748 HD2 HIS 113 HD2 HIS 113 2.783 3.132 -5.553 749 HE1 HIS 113 HE1 HIS 113 0.651 0.795 -2.732 750 HE2 HIS 113 HE2 HIS 113 1.226 1.108 -5.161 751 H GLY 114 HN GLY 114 2.312 4.931 -1.116 752 HA2 GLY 114 HA2 GLY 114 0.966 4.810 0.736 753 HA3 GLY 114 HA1 GLY 114 1.643 3.206 0.968 754 H VAL 115 HN VAL 115 2.910 2.853 2.667 755 HA VAL 115 HA VAL 115 3.664 5.181 4.303 756 HB VAL 115 HB VAL 115 3.950 3.449 6.145 757 HG11 VAL 115 HG11 VAL 115 1.845 3.872 6.871 758 HG12 VAL 115 HG12 VAL 115 1.100 3.388 5.349 759 HG13 VAL 115 HG13 VAL 115 1.854 4.973 5.492 760 HG21 VAL 115 HG21 VAL 115 3.645 1.643 4.114 761 HG22 VAL 115 HG22 VAL 115 2.048 1.639 4.856 762 HG23 VAL 115 HG23 VAL 115 3.473 1.282 5.830 763 H CYS 116 HN CYS 116 4.908 2.487 2.521 764 HA CYS 116 HA CYS 116 7.489 2.468 3.788 765 HB2 CYS 116 HB2 CYS 116 6.199 0.677 2.259 766 HB3 CYS 116 HB1 CYS 116 7.252 1.400 1.053 767 H LYS 117 HN LYS 117 6.061 4.685 2.040 768 HA LYS 117 HA LYS 117 8.460 5.508 0.544 769 HB2 LYS 117 HB2 LYS 117 7.037 7.123 -0.604 770 HB3 LYS 117 HB1 LYS 117 6.337 5.518 -0.728 771 HG2 LYS 117 HG2 LYS 117 4.462 6.683 -0.230 772 HG3 LYS 117 HG1 LYS 117 5.003 6.353 1.417 773 HD2 LYS 117 HD2 LYS 117 6.200 8.575 1.349 774 HD3 LYS 117 HD1 LYS 117 5.374 8.890 -0.175 775 HE2 LYS 117 HE2 LYS 117 3.209 8.646 0.958 776 HE3 LYS 117 HE1 LYS 117 4.052 8.369 2.484 777 HZ1 LYS 117 HZ1 LYS 117 3.688 10.861 0.985 778 HZ2 LYS 117 HZ2 LYS 117 5.161 10.668 1.813 779 HZ3 LYS 117 HZ3 LYS 117 3.699 10.596 2.666 780 H ASP 118 HN ASP 118 7.120 5.814 3.490 781 HA ASP 118 HA ASP 118 7.933 8.598 3.914 782 HB2 ASP 118 HB2 ASP 118 5.661 7.942 4.639 783 HB3 ASP 118 HB1 ASP 118 6.357 6.714 5.688 784 H LEU 119 HN LEU 119 9.988 8.802 4.450 785 HA LEU 119 HA LEU 119 11.907 8.710 5.666 786 HB2 LEU 119 HB2 LEU 119 10.507 8.197 7.653 787 HB3 LEU 119 HB1 LEU 119 10.624 6.493 7.263 788 HG LEU 119 HG LEU 119 13.090 6.629 7.560 789 HD11 LEU 119 HD11 LEU 119 13.681 8.752 9.020 790 HD12 LEU 119 HD12 LEU 119 12.393 9.474 8.058 791 HD13 LEU 119 HD13 LEU 119 13.799 8.773 7.261 792 HD21 LEU 119 HD21 LEU 119 11.066 6.592 9.513 793 HD22 LEU 119 HD22 LEU 119 12.369 7.593 10.152 794 HD23 LEU 119 HD23 LEU 119 12.704 5.943 9.632 795 H HIS 120 HN HIS 120 10.564 5.483 5.078 796 HA HIS 120 HA HIS 120 13.184 4.535 4.221 797 HB2 HIS 120 HB2 HIS 120 10.594 2.979 4.444 798 HB3 HIS 120 HB1 HIS 120 12.210 2.310 4.248 799 HD2 HIS 120 HD2 HIS 120 9.771 2.818 7.005 800 HE1 HIS 120 HE1 HIS 120 13.568 3.010 8.892 801 HE2 HIS 120 HE2 HIS 120 11.074 2.816 9.243 802 H LEU 121 HN LEU 121 13.079 3.122 2.098 803 HA LEU 121 HA LEU 121 11.005 3.746 0.258 804 HB2 LEU 121 HB2 LEU 121 12.496 5.874 0.527 805 HB3 LEU 121 HB1 LEU 121 13.595 5.006 -0.529 806 HG LEU 121 HG LEU 121 11.907 4.903 -2.270 807 HD11 LEU 121 HD11 LEU 121 9.726 5.759 -2.051 808 HD12 LEU 121 HD12 LEU 121 10.113 6.575 -0.535 809 HD13 LEU 121 HD13 LEU 121 9.995 4.815 -0.583 810 HD21 LEU 121 HD21 LEU 121 12.534 6.920 -2.970 811 HD22 LEU 121 HD22 LEU 121 13.205 7.196 -1.361 812 HD23 LEU 121 HD23 LEU 121 11.560 7.716 -1.732 813 H CYS 122 HN CYS 122 11.545 1.338 0.579 814 HA CYS 122 HA CYS 122 12.491 -0.635 -0.083 815 HB2 CYS 122 HB2 CYS 122 12.499 -0.685 -2.740 816 HB3 CYS 122 HB1 CYS 122 11.012 -0.708 -1.807 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -25.845 6.590 -7.056 2 H2 ALA 1 HT2 ALA 1 -24.401 5.978 -7.756 3 H3 ALA 1 HT3 ALA 1 -24.330 6.935 -6.329 4 HA ALA 1 HA ALA 1 -25.336 4.199 -6.678 5 HB1 ALA 1 HB1 ALA 1 -23.019 4.233 -6.227 6 HB2 ALA 1 HB2 ALA 1 -23.798 3.879 -4.683 7 HB3 ALA 1 HB3 ALA 1 -23.192 5.503 -5.016 8 H MET 2 HN MET 2 -26.347 3.237 -4.806 9 HA MET 2 HA MET 2 -28.093 5.132 -3.463 10 HB2 MET 2 HB2 MET 2 -28.058 2.111 -3.389 11 HB3 MET 2 HB1 MET 2 -29.286 3.129 -2.648 12 HG2 MET 2 HG2 MET 2 -28.672 2.943 -5.587 13 HG3 MET 2 HG1 MET 2 -30.052 2.224 -4.764 14 HE1 MET 2 HE1 MET 2 -31.111 5.135 -7.168 15 HE2 MET 2 HE2 MET 2 -32.027 3.819 -6.436 16 HE3 MET 2 HE3 MET 2 -30.433 3.504 -7.124 17 H GLY 3 HN GLY 3 -26.411 6.089 -2.176 18 HA2 GLY 3 HA2 GLY 3 -26.138 6.184 0.264 19 HA3 GLY 3 HA1 GLY 3 -25.800 4.460 0.213 20 H LYS 4 HN LYS 4 -23.885 5.305 1.482 21 HA LYS 4 HA LYS 4 -21.828 6.596 -0.110 22 HB2 LYS 4 HB2 LYS 4 -21.753 5.548 2.727 23 HB3 LYS 4 HB1 LYS 4 -20.468 6.464 1.950 24 HG2 LYS 4 HG2 LYS 4 -21.970 8.374 1.709 25 HG3 LYS 4 HG1 LYS 4 -23.256 7.455 2.496 26 HD2 LYS 4 HD2 LYS 4 -22.173 8.968 4.075 27 HD3 LYS 4 HD1 LYS 4 -21.897 7.284 4.527 28 HE2 LYS 4 HE2 LYS 4 -19.683 7.561 4.414 29 HE3 LYS 4 HE1 LYS 4 -19.802 8.186 2.768 30 HZ1 LYS 4 HZ1 LYS 4 -19.750 9.661 5.323 31 HZ2 LYS 4 HZ2 LYS 4 -20.513 10.349 3.973 32 HZ3 LYS 4 HZ3 LYS 4 -18.873 9.944 3.897 33 H CYS 5 HN CYS 5 -22.545 4.252 -1.275 34 HA CYS 5 HA CYS 5 -20.094 2.947 -1.639 35 HB2 CYS 5 HB2 CYS 5 -20.903 2.019 0.654 36 HB3 CYS 5 HB1 CYS 5 -22.084 1.122 -0.293 37 H SER 6 HN SER 6 -20.480 0.887 -3.024 38 HA SER 6 HA SER 6 -23.002 1.105 -4.504 39 HB2 SER 6 HB2 SER 6 -21.131 2.399 -5.651 40 HB3 SER 6 HB1 SER 6 -20.316 0.854 -5.886 41 HG SER 6 HG SER 6 -22.082 1.920 -7.471 42 H VAL 7 HN VAL 7 -21.638 -0.803 -6.469 43 HA VAL 7 HA VAL 7 -22.534 -3.225 -5.273 44 HB VAL 7 HB VAL 7 -21.418 -4.237 -7.364 45 HG11 VAL 7 HG11 VAL 7 -23.744 -2.409 -7.180 46 HG12 VAL 7 HG12 VAL 7 -23.675 -4.112 -7.641 47 HG13 VAL 7 HG13 VAL 7 -23.218 -2.862 -8.800 48 HG21 VAL 7 HG21 VAL 7 -20.026 -1.992 -7.550 49 HG22 VAL 7 HG22 VAL 7 -21.437 -1.467 -8.470 50 HG23 VAL 7 HG23 VAL 7 -20.524 -2.883 -8.989 51 H LEU 8 HN LEU 8 -21.221 -3.302 -3.330 52 HA LEU 8 HA LEU 8 -18.387 -3.527 -3.557 53 HB2 LEU 8 HB2 LEU 8 -18.429 -4.175 -1.165 54 HB3 LEU 8 HB1 LEU 8 -19.219 -2.650 -1.508 55 HG LEU 8 HG LEU 8 -20.958 -5.058 -1.376 56 HD11 LEU 8 HD11 LEU 8 -20.868 -4.139 1.243 57 HD12 LEU 8 HD12 LEU 8 -19.175 -4.298 0.770 58 HD13 LEU 8 HD13 LEU 8 -20.262 -5.681 0.641 59 HD21 LEU 8 HD21 LEU 8 -21.147 -2.155 -1.077 60 HD22 LEU 8 HD22 LEU 8 -22.050 -3.065 0.134 61 HD23 LEU 8 HD23 LEU 8 -22.363 -3.326 -1.582 62 H LYS 9 HN LYS 9 -20.824 -5.971 -2.553 63 HA LYS 9 HA LYS 9 -18.869 -8.037 -3.183 64 HB2 LYS 9 HB2 LYS 9 -21.590 -8.192 -1.891 65 HB3 LYS 9 HB1 LYS 9 -20.500 -9.538 -2.121 66 HG2 LYS 9 HG2 LYS 9 -18.842 -8.430 -0.669 67 HG3 LYS 9 HG1 LYS 9 -20.010 -7.132 -0.383 68 HD2 LYS 9 HD2 LYS 9 -20.371 -10.056 0.284 69 HD3 LYS 9 HD1 LYS 9 -20.061 -8.750 1.434 70 HE2 LYS 9 HE2 LYS 9 -22.174 -7.825 1.146 71 HE3 LYS 9 HE1 LYS 9 -22.426 -8.626 -0.404 72 HZ1 LYS 9 HZ1 LYS 9 -23.458 -9.450 1.936 73 HZ2 LYS 9 HZ2 LYS 9 -22.076 -10.429 1.820 74 HZ3 LYS 9 HZ3 LYS 9 -23.232 -10.446 0.579 75 H LYS 10 HN LYS 10 -21.678 -6.581 -4.516 76 HA LYS 10 HA LYS 10 -22.801 -8.708 -5.879 77 HB2 LYS 10 HB2 LYS 10 -22.747 -5.788 -6.602 78 HB3 LYS 10 HB1 LYS 10 -23.722 -6.984 -7.455 79 HG2 LYS 10 HG2 LYS 10 -24.855 -7.523 -5.315 80 HG3 LYS 10 HG1 LYS 10 -23.936 -6.227 -4.546 81 HD2 LYS 10 HD2 LYS 10 -26.098 -5.367 -5.100 82 HD3 LYS 10 HD1 LYS 10 -24.926 -4.638 -6.199 83 HE2 LYS 10 HE2 LYS 10 -26.888 -5.274 -7.442 84 HE3 LYS 10 HE1 LYS 10 -25.542 -6.310 -7.910 85 HZ1 LYS 10 HZ1 LYS 10 -26.506 -7.896 -6.129 86 HZ2 LYS 10 HZ2 LYS 10 -27.268 -7.794 -7.643 87 HZ3 LYS 10 HZ3 LYS 10 -27.921 -6.979 -6.311 88 H VAL 11 HN VAL 11 -20.335 -6.478 -7.168 89 HA VAL 11 HA VAL 11 -20.107 -8.201 -9.510 90 HB VAL 11 HB VAL 11 -18.448 -5.736 -8.941 91 HG11 VAL 11 HG11 VAL 11 -18.871 -5.835 -11.628 92 HG12 VAL 11 HG12 VAL 11 -18.797 -7.551 -11.221 93 HG13 VAL 11 HG13 VAL 11 -17.451 -6.489 -10.806 94 HG21 VAL 11 HG21 VAL 11 -20.784 -5.517 -10.729 95 HG22 VAL 11 HG22 VAL 11 -20.094 -4.334 -9.616 96 HG23 VAL 11 HG23 VAL 11 -21.137 -5.623 -9.007 97 H ALA 12 HN ALA 12 -19.453 -9.251 -6.965 98 HA ALA 12 HA ALA 12 -17.902 -10.497 -5.875 99 HB1 ALA 12 HB1 ALA 12 -16.478 -10.485 -8.532 100 HB2 ALA 12 HB2 ALA 12 -17.764 -11.596 -8.066 101 HB3 ALA 12 HB3 ALA 12 -16.220 -11.623 -7.211 102 H CYS 13 HN CYS 13 -17.687 -7.617 -5.851 103 HA CYS 13 HA CYS 13 -16.351 -5.996 -4.983 104 HB2 CYS 13 HB2 CYS 13 -14.356 -8.170 -4.352 105 HB3 CYS 13 HB1 CYS 13 -14.538 -6.612 -3.550 106 H ALA 14 HN ALA 14 -15.902 -7.135 -7.814 107 HA ALA 14 HA ALA 14 -13.154 -6.360 -8.301 108 HB1 ALA 14 HB1 ALA 14 -14.894 -6.945 -10.599 109 HB2 ALA 14 HB2 ALA 14 -14.679 -8.260 -9.441 110 HB3 ALA 14 HB3 ALA 14 -13.275 -7.529 -10.219 111 H ALA 15 HN ALA 15 -15.129 -4.342 -7.432 112 HA ALA 15 HA ALA 15 -15.172 -2.621 -9.817 113 HB1 ALA 15 HB1 ALA 15 -17.344 -2.521 -9.201 114 HB2 ALA 15 HB2 ALA 15 -16.745 -1.285 -8.094 115 HB3 ALA 15 HB3 ALA 15 -17.001 -2.933 -7.519 116 H ALA 16 HN ALA 16 -15.528 -1.370 -6.591 117 HA ALA 16 HA ALA 16 -13.422 0.519 -6.996 118 HB1 ALA 16 HB1 ALA 16 -14.112 0.627 -4.304 119 HB2 ALA 16 HB2 ALA 16 -15.594 0.141 -5.130 120 HB3 ALA 16 HB3 ALA 16 -14.761 1.621 -5.609 121 H ILE 17 HN ILE 17 -13.220 -2.652 -6.208 122 HA ILE 17 HA ILE 17 -10.946 -2.262 -4.392 123 HB ILE 17 HB ILE 17 -12.825 -4.570 -4.794 124 HG12 ILE 17 HG12 ILE 17 -11.858 -3.157 -2.302 125 HG13 ILE 17 HG11 ILE 17 -13.294 -2.666 -3.215 126 HG21 ILE 17 HG21 ILE 17 -10.051 -4.655 -3.688 127 HG22 ILE 17 HG22 ILE 17 -10.908 -5.841 -4.677 128 HG23 ILE 17 HG23 ILE 17 -11.312 -5.662 -2.967 129 HD11 ILE 17 HD11 ILE 17 -12.922 -5.386 -1.990 130 HD12 ILE 17 HD12 ILE 17 -14.386 -4.744 -2.737 131 HD13 ILE 17 HD13 ILE 17 -13.788 -4.054 -1.227 132 H ALA 18 HN ALA 18 -11.881 -4.537 -7.003 133 HA ALA 18 HA ALA 18 -9.190 -5.214 -7.599 134 HB1 ALA 18 HB1 ALA 18 -11.672 -6.196 -8.330 135 HB2 ALA 18 HB2 ALA 18 -10.109 -6.771 -8.905 136 HB3 ALA 18 HB3 ALA 18 -11.003 -5.568 -9.836 137 H GLY 19 HN GLY 19 -11.380 -2.742 -8.714 138 HA2 GLY 19 HA2 GLY 19 -9.761 -1.948 -10.958 139 HA3 GLY 19 HA1 GLY 19 -11.158 -1.091 -10.316 140 H ALA 20 HN ALA 20 -9.813 -1.306 -7.585 141 HA ALA 20 HA ALA 20 -8.482 1.226 -7.717 142 HB1 ALA 20 HB1 ALA 20 -9.971 0.326 -5.814 143 HB2 ALA 20 HB2 ALA 20 -8.518 1.228 -5.387 144 HB3 ALA 20 HB3 ALA 20 -8.518 -0.531 -5.293 145 H VAL 21 HN VAL 21 -7.594 -2.079 -7.790 146 HA VAL 21 HA VAL 21 -4.951 -1.943 -6.852 147 HB VAL 21 HB VAL 21 -6.308 -3.828 -8.800 148 HG11 VAL 21 HG11 VAL 21 -3.984 -3.999 -9.205 149 HG12 VAL 21 HG12 VAL 21 -4.445 -5.375 -8.201 150 HG13 VAL 21 HG13 VAL 21 -3.620 -3.992 -7.481 151 HG21 VAL 21 HG21 VAL 21 -5.670 -4.120 -5.867 152 HG22 VAL 21 HG22 VAL 21 -6.424 -5.345 -6.885 153 HG23 VAL 21 HG23 VAL 21 -7.271 -3.832 -6.548 154 H ALA 22 HN ALA 22 -6.423 -1.634 -10.056 155 HA ALA 22 HA ALA 22 -3.967 -1.222 -11.436 156 HB1 ALA 22 HB1 ALA 22 -5.802 -2.116 -12.661 157 HB2 ALA 22 HB2 ALA 22 -5.470 -0.510 -13.311 158 HB3 ALA 22 HB3 ALA 22 -6.835 -0.753 -12.223 159 H ALA 23 HN ALA 23 -5.945 0.776 -9.512 160 HA ALA 23 HA ALA 23 -5.322 3.270 -10.779 161 HB1 ALA 23 HB1 ALA 23 -6.082 3.925 -8.227 162 HB2 ALA 23 HB2 ALA 23 -6.908 2.389 -8.492 163 HB3 ALA 23 HB3 ALA 23 -7.170 3.735 -9.604 164 H CYS 24 HN CYS 24 -4.143 1.539 -7.907 165 HA CYS 24 HA CYS 24 -2.159 3.589 -7.382 166 HB2 CYS 24 HB2 CYS 24 -3.351 2.334 -5.555 167 HB3 CYS 24 HB1 CYS 24 -2.451 0.900 -6.034 168 H GLY 25 HN GLY 25 -2.344 0.464 -8.909 169 HA2 GLY 25 HA2 GLY 25 -0.721 -0.130 -10.573 170 HA3 GLY 25 HA1 GLY 25 0.483 0.766 -9.659 171 H GLY 26 HN GLY 26 -1.841 -1.556 -8.372 172 HA2 GLY 26 HA2 GLY 26 -0.731 -3.939 -8.311 173 HA3 GLY 26 HA1 GLY 26 0.407 -3.081 -7.281 174 H ILE 27 HN ILE 27 -0.974 -5.237 -6.306 175 HA ILE 27 HA ILE 27 -3.169 -4.122 -4.734 176 HB ILE 27 HB ILE 27 -3.743 -6.215 -5.693 177 HG12 ILE 27 HG12 ILE 27 -4.082 -7.680 -3.698 178 HG13 ILE 27 HG11 ILE 27 -3.023 -6.615 -2.784 179 HG21 ILE 27 HG21 ILE 27 -1.816 -7.283 -6.348 180 HG22 ILE 27 HG22 ILE 27 -2.341 -8.288 -4.996 181 HG23 ILE 27 HG23 ILE 27 -1.052 -7.105 -4.767 182 HD11 ILE 27 HD11 ILE 27 -4.553 -4.855 -2.843 183 HD12 ILE 27 HD12 ILE 27 -5.529 -6.290 -2.528 184 HD13 ILE 27 HD13 ILE 27 -5.484 -5.589 -4.148 185 H ASP 28 HN ASP 28 -2.568 -3.094 -2.949 186 HA ASP 28 HA ASP 28 -0.555 -4.389 -1.251 187 HB2 ASP 28 HB2 ASP 28 0.363 -2.221 -0.620 188 HB3 ASP 28 HB1 ASP 28 0.478 -2.450 -2.358 189 H LEU 29 HN LEU 29 -3.140 -1.958 -1.303 190 HA LEU 29 HA LEU 29 -5.081 -2.031 0.011 191 HB2 LEU 29 HB2 LEU 29 -4.808 -4.039 1.158 192 HB3 LEU 29 HB1 LEU 29 -3.345 -3.508 1.950 193 HG LEU 29 HG LEU 29 -4.611 -2.104 3.467 194 HD11 LEU 29 HD11 LEU 29 -7.033 -2.961 1.883 195 HD12 LEU 29 HD12 LEU 29 -6.444 -1.313 2.136 196 HD13 LEU 29 HD13 LEU 29 -7.108 -2.238 3.492 197 HD21 LEU 29 HD21 LEU 29 -4.392 -4.220 4.352 198 HD22 LEU 29 HD22 LEU 29 -5.422 -4.955 3.124 199 HD23 LEU 29 HD23 LEU 29 -6.136 -3.980 4.409 200 HA PRO 30 HA PRO 30 -3.029 1.099 3.241 201 HB2 PRO 30 HB2 PRO 30 -0.494 1.829 2.345 202 HB3 PRO 30 HB1 PRO 30 -0.841 0.825 3.756 203 HG2 PRO 30 HG2 PRO 30 -0.077 0.011 0.986 204 HG3 PRO 30 HG1 PRO 30 0.404 -0.696 2.542 205 HD2 PRO 30 HD2 PRO 30 -1.430 -1.876 1.009 206 HD3 PRO 30 HD1 PRO 30 -1.603 -1.852 2.775 207 H CYS 31 HN CYS 31 -2.052 1.004 -0.155 208 HA CYS 31 HA CYS 31 -2.633 3.828 -0.383 209 HB2 CYS 31 HB2 CYS 31 -0.657 3.313 -1.533 210 HB3 CYS 31 HB1 CYS 31 -1.307 1.807 -2.168 211 H VAL 32 HN VAL 32 -3.823 0.710 -1.461 212 HA VAL 32 HA VAL 32 -5.697 1.586 -3.335 213 HB VAL 32 HB VAL 32 -5.599 -0.918 -1.650 214 HG11 VAL 32 HG11 VAL 32 -7.859 -0.373 -2.564 215 HG12 VAL 32 HG12 VAL 32 -7.171 -1.902 -3.114 216 HG13 VAL 32 HG13 VAL 32 -7.159 -0.492 -4.175 217 HG21 VAL 32 HG21 VAL 32 -4.883 -0.571 -4.546 218 HG22 VAL 32 HG22 VAL 32 -4.543 -1.948 -3.501 219 HG23 VAL 32 HG23 VAL 32 -3.699 -0.419 -3.248 220 H LEU 33 HN LEU 33 -5.824 1.510 0.170 221 HA LEU 33 HA LEU 33 -8.583 1.407 0.539 222 HB2 LEU 33 HB2 LEU 33 -8.255 2.221 2.726 223 HB3 LEU 33 HB1 LEU 33 -6.840 1.269 2.337 224 HG LEU 33 HG LEU 33 -5.804 3.631 1.734 225 HD11 LEU 33 HD11 LEU 33 -6.966 4.956 3.886 226 HD12 LEU 33 HD12 LEU 33 -8.327 4.323 2.964 227 HD13 LEU 33 HD13 LEU 33 -7.137 5.361 2.180 228 HD21 LEU 33 HD21 LEU 33 -6.017 3.372 4.640 229 HD22 LEU 33 HD22 LEU 33 -4.597 3.340 3.595 230 HD23 LEU 33 HD23 LEU 33 -5.569 1.884 3.807 231 H ALA 34 HN ALA 34 -6.530 4.086 -0.407 232 HA ALA 34 HA ALA 34 -8.496 6.129 -0.031 233 HB1 ALA 34 HB1 ALA 34 -6.208 6.774 0.036 234 HB2 ALA 34 HB2 ALA 34 -6.920 7.510 -1.401 235 HB3 ALA 34 HB3 ALA 34 -5.903 6.076 -1.556 236 H ALA 35 HN ALA 35 -7.429 4.172 -2.753 237 HA ALA 35 HA ALA 35 -9.019 5.576 -4.679 238 HB1 ALA 35 HB1 ALA 35 -7.502 2.981 -4.782 239 HB2 ALA 35 HB2 ALA 35 -7.080 4.528 -5.520 240 HB3 ALA 35 HB3 ALA 35 -8.442 3.595 -6.142 241 H LEU 36 HN LEU 36 -9.721 3.257 -2.316 242 HA LEU 36 HA LEU 36 -11.981 2.166 -3.791 243 HB2 LEU 36 HB2 LEU 36 -11.397 0.349 -2.659 244 HB3 LEU 36 HB1 LEU 36 -10.310 1.262 -1.634 245 HG LEU 36 HG LEU 36 -13.066 1.638 -0.816 246 HD11 LEU 36 HD11 LEU 36 -12.223 -1.063 -1.540 247 HD12 LEU 36 HD12 LEU 36 -13.832 -0.429 -1.203 248 HD13 LEU 36 HD13 LEU 36 -12.782 -0.909 0.129 249 HD21 LEU 36 HD21 LEU 36 -10.628 0.475 0.529 250 HD22 LEU 36 HD22 LEU 36 -12.130 0.927 1.341 251 HD23 LEU 36 HD23 LEU 36 -11.136 2.163 0.566 252 H LYS 37 HN LYS 37 -11.340 4.144 -0.925 253 HA LYS 37 HA LYS 37 -12.653 5.484 0.365 254 HB2 LYS 37 HB2 LYS 37 -12.958 6.513 -1.977 255 HB3 LYS 37 HB1 LYS 37 -14.530 5.719 -1.985 256 HG2 LYS 37 HG2 LYS 37 -14.617 6.977 0.406 257 HG3 LYS 37 HG1 LYS 37 -13.618 8.099 -0.519 258 HD2 LYS 37 HD2 LYS 37 -16.316 7.054 -1.401 259 HD3 LYS 37 HD1 LYS 37 -16.048 8.618 -0.630 260 HE2 LYS 37 HE2 LYS 37 -14.734 7.771 -3.209 261 HE3 LYS 37 HE1 LYS 37 -16.254 8.661 -3.136 262 HZ1 LYS 37 HZ1 LYS 37 -15.142 10.531 -2.900 263 HZ2 LYS 37 HZ2 LYS 37 -13.677 9.693 -3.078 264 HZ3 LYS 37 HZ3 LYS 37 -14.330 9.954 -1.535 265 H ALA 38 HN ALA 38 -13.190 3.566 1.630 266 HA ALA 38 HA ALA 38 -15.879 2.501 1.161 267 HB1 ALA 38 HB1 ALA 38 -15.293 0.735 2.707 268 HB2 ALA 38 HB2 ALA 38 -13.781 1.548 3.105 269 HB3 ALA 38 HB3 ALA 38 -14.029 0.901 1.484 270 H ALA 39 HN ALA 39 -17.533 2.734 2.536 271 HA ALA 39 HA ALA 39 -17.091 4.413 4.914 272 HB1 ALA 39 HB1 ALA 39 -19.223 4.450 2.837 273 HB2 ALA 39 HB2 ALA 39 -18.434 5.789 3.674 274 HB3 ALA 39 HB3 ALA 39 -19.673 4.843 4.500 275 H GLU 40 HN GLU 40 -20.181 2.984 4.283 276 HA GLU 40 HA GLU 40 -19.888 1.341 6.657 277 HB2 GLU 40 HB2 GLU 40 -22.354 0.833 6.164 278 HB3 GLU 40 HB1 GLU 40 -21.940 2.471 6.643 279 HG2 GLU 40 HG2 GLU 40 -22.150 3.261 4.414 280 HG3 GLU 40 HG1 GLU 40 -22.272 1.618 3.782 281 H GLY 41 HN GLY 41 -18.313 -0.080 5.697 282 HA2 GLY 41 HA2 GLY 41 -18.193 -2.426 5.196 283 HA3 GLY 41 HA1 GLY 41 -19.611 -2.237 4.171 284 H CYS 42 HN CYS 42 -19.044 -2.655 2.155 285 HA CYS 42 HA CYS 42 -18.086 -2.476 0.111 286 HB2 CYS 42 HB2 CYS 42 -16.295 -0.263 1.082 287 HB3 CYS 42 HB1 CYS 42 -16.939 -0.527 -0.534 288 H ALA 43 HN ALA 43 -15.523 -1.837 2.523 289 HA ALA 43 HA ALA 43 -13.698 -3.554 1.047 290 HB1 ALA 43 HB1 ALA 43 -12.286 -2.910 3.226 291 HB2 ALA 43 HB2 ALA 43 -13.452 -1.587 3.244 292 HB3 ALA 43 HB3 ALA 43 -12.429 -1.843 1.829 293 H SER 44 HN SER 44 -16.172 -4.385 2.755 294 HA SER 44 HA SER 44 -15.292 -5.914 4.931 295 HB2 SER 44 HB2 SER 44 -17.578 -7.025 3.454 296 HB3 SER 44 HB1 SER 44 -17.476 -6.462 5.122 297 HG SER 44 HG SER 44 -18.853 -5.111 3.958 298 H CYS 45 HN CYS 45 -15.789 -6.786 1.521 299 HA CYS 45 HA CYS 45 -14.897 -9.501 1.953 300 HB2 CYS 45 HB2 CYS 45 -14.968 -9.610 -0.566 301 HB3 CYS 45 HB1 CYS 45 -16.498 -9.213 0.211 302 H PHE 46 HN PHE 46 -13.579 -6.498 0.862 303 HA PHE 46 HA PHE 46 -11.220 -7.338 -0.366 304 HB2 PHE 46 HB2 PHE 46 -12.251 -5.032 -0.327 305 HB3 PHE 46 HB1 PHE 46 -11.608 -4.846 1.296 306 HD1 PHE 46 HD2 PHE 46 -9.015 -6.552 0.210 307 HD2 PHE 46 HD1 PHE 46 -11.050 -2.961 -0.801 308 HE1 PHE 46 HE2 PHE 46 -6.939 -5.649 -0.746 309 HE2 PHE 46 HE1 PHE 46 -9.011 -2.060 -1.765 310 HZ PHE 46 HZ PHE 46 -6.926 -3.400 -1.731 311 H CYS 47 HN CYS 47 -11.627 -6.065 2.914 312 HA CYS 47 HA CYS 47 -9.061 -7.045 3.747 313 HB2 CYS 47 HB2 CYS 47 -11.311 -5.844 5.360 314 HB3 CYS 47 HB1 CYS 47 -9.657 -6.080 5.908 315 H GLU 48 HN GLU 48 -10.325 -9.276 2.943 316 HA GLU 48 HA GLU 48 -11.797 -10.456 5.125 317 HB2 GLU 48 HB2 GLU 48 -12.087 -11.049 2.667 318 HB3 GLU 48 HB1 GLU 48 -10.526 -11.848 2.739 319 HG2 GLU 48 HG2 GLU 48 -12.115 -13.550 2.957 320 HG3 GLU 48 HG1 GLU 48 -11.475 -13.288 4.578 321 H ASP 49 HN ASP 49 -8.688 -11.217 3.559 322 HA ASP 49 HA ASP 49 -7.772 -12.460 6.055 323 HB2 ASP 49 HB2 ASP 49 -7.637 -13.778 3.921 324 HB3 ASP 49 HB1 ASP 49 -6.503 -12.581 3.304 325 H HIS 50 HN HIS 50 -7.586 -9.666 4.231 326 HA HIS 50 HA HIS 50 -4.961 -8.849 5.248 327 HB2 HIS 50 HB2 HIS 50 -6.747 -7.136 3.529 328 HB3 HIS 50 HB1 HIS 50 -4.991 -7.138 3.634 329 HD2 HIS 50 HD2 HIS 50 -7.529 -8.165 1.156 330 HE1 HIS 50 HE1 HIS 50 -4.382 -10.977 0.644 331 HE2 HIS 50 HE2 HIS 50 -6.455 -9.960 -0.382 332 H CYS 51 HN CYS 51 -5.868 -8.861 7.473 333 HA CYS 51 HA CYS 51 -7.548 -6.493 7.998 334 HB2 CYS 51 HB2 CYS 51 -7.329 -9.106 9.480 335 HB3 CYS 51 HB1 CYS 51 -8.175 -7.701 10.117 336 H HIS 52 HN HIS 52 -4.434 -6.818 8.034 337 HA HIS 52 HA HIS 52 -4.221 -5.728 10.734 338 HB2 HIS 52 HB2 HIS 52 -1.882 -6.631 10.824 339 HB3 HIS 52 HB1 HIS 52 -3.166 -7.828 10.869 340 HD2 HIS 52 HD2 HIS 52 0.124 -7.619 9.385 341 HE1 HIS 52 HE1 HIS 52 -2.136 -9.641 6.417 342 HE2 HIS 52 HE2 HIS 52 0.156 -8.821 7.100 343 H GLY 53 HN GLY 53 -3.487 -5.211 7.413 344 HA2 GLY 53 HA2 GLY 53 -1.748 -2.948 8.166 345 HA3 GLY 53 HA1 GLY 53 -1.806 -3.689 6.573 346 H VAL 54 HN VAL 54 -2.621 -1.021 8.253 347 HA VAL 54 HA VAL 54 -3.949 0.775 8.053 348 HB VAL 54 HB VAL 54 -4.512 1.644 5.904 349 HG11 VAL 54 HG11 VAL 54 -2.165 1.734 6.557 350 HG12 VAL 54 HG12 VAL 54 -2.356 1.634 4.800 351 HG13 VAL 54 HG13 VAL 54 -1.876 0.204 5.725 352 HG21 VAL 54 HG21 VAL 54 -4.264 -1.172 4.993 353 HG22 VAL 54 HG22 VAL 54 -3.858 0.127 3.870 354 HG23 VAL 54 HG23 VAL 54 -5.468 0.053 4.586 355 H CYS 55 HN CYS 55 -5.581 -2.097 6.794 356 HA CYS 55 HA CYS 55 -8.138 -0.840 6.729 357 HB2 CYS 55 HB2 CYS 55 -7.477 -2.927 5.465 358 HB3 CYS 55 HB1 CYS 55 -7.639 -3.798 6.988 359 H LYS 56 HN LYS 56 -6.389 -2.721 9.120 360 HA LYS 56 HA LYS 56 -8.532 -2.990 10.943 361 HB2 LYS 56 HB2 LYS 56 -6.203 -4.203 10.843 362 HB3 LYS 56 HB1 LYS 56 -5.700 -2.874 11.886 363 HG2 LYS 56 HG2 LYS 56 -7.435 -3.425 13.477 364 HG3 LYS 56 HG1 LYS 56 -8.009 -4.703 12.410 365 HD2 LYS 56 HD2 LYS 56 -6.005 -5.972 12.713 366 HD3 LYS 56 HD1 LYS 56 -5.229 -4.639 13.569 367 HE2 LYS 56 HE2 LYS 56 -6.028 -6.486 15.040 368 HE3 LYS 56 HE1 LYS 56 -6.688 -4.904 15.449 369 HZ1 LYS 56 HZ1 LYS 56 -8.621 -6.016 15.457 370 HZ2 LYS 56 HZ2 LYS 56 -8.039 -7.287 14.486 371 HZ3 LYS 56 HZ3 LYS 56 -8.554 -5.839 13.772 372 H ASP 57 HN ASP 57 -6.852 -0.295 9.948 373 HA ASP 57 HA ASP 57 -6.745 1.173 12.393 374 HB2 ASP 57 HB2 ASP 57 -5.319 1.672 10.410 375 HB3 ASP 57 HB1 ASP 57 -6.750 2.177 9.526 376 H LEU 58 HN LEU 58 -9.158 0.384 10.079 377 HA LEU 58 HA LEU 58 -11.036 2.286 11.323 378 HB2 LEU 58 HB2 LEU 58 -11.182 1.020 8.580 379 HB3 LEU 58 HB1 LEU 58 -12.421 2.039 9.284 380 HG LEU 58 HG LEU 58 -10.515 3.815 9.432 381 HD11 LEU 58 HD11 LEU 58 -9.280 3.073 7.023 382 HD12 LEU 58 HD12 LEU 58 -9.172 1.672 8.090 383 HD13 LEU 58 HD13 LEU 58 -8.539 3.231 8.616 384 HD21 LEU 58 HD21 LEU 58 -11.224 4.739 7.394 385 HD22 LEU 58 HD22 LEU 58 -12.588 3.770 7.957 386 HD23 LEU 58 HD23 LEU 58 -11.529 3.154 6.687 387 H HIS 59 HN HIS 59 -10.285 -1.006 10.713 388 HA HIS 59 HA HIS 59 -11.172 -2.973 11.417 389 HB2 HIS 59 HB2 HIS 59 -13.003 -1.207 13.051 390 HB3 HIS 59 HB1 HIS 59 -12.924 -2.959 13.188 391 HD2 HIS 59 HD2 HIS 59 -11.459 0.017 14.882 392 HE1 HIS 59 HE1 HIS 59 -8.650 -3.101 15.502 393 HE2 HIS 59 HE2 HIS 59 -9.309 -0.741 16.099 394 H LEU 60 HN LEU 60 -11.884 -3.485 9.324 395 HA LEU 60 HA LEU 60 -14.777 -3.234 8.955 396 HB2 LEU 60 HB2 LEU 60 -12.633 -3.060 6.845 397 HB3 LEU 60 HB1 LEU 60 -14.345 -3.200 6.493 398 HG LEU 60 HG LEU 60 -13.106 -0.911 8.031 399 HD11 LEU 60 HD11 LEU 60 -13.614 0.386 5.961 400 HD12 LEU 60 HD12 LEU 60 -13.908 -1.145 5.140 401 HD13 LEU 60 HD13 LEU 60 -12.308 -0.788 5.787 402 HD21 LEU 60 HD21 LEU 60 -15.315 0.156 7.467 403 HD22 LEU 60 HD22 LEU 60 -15.376 -1.141 8.661 404 HD23 LEU 60 HD23 LEU 60 -15.879 -1.446 6.998 405 H CYS 61 HN CYS 61 -12.915 -5.401 10.009 406 HA CYS 61 HA CYS 61 -14.295 -7.605 8.791 407 HB2 CYS 61 HB2 CYS 61 -12.180 -8.864 8.245 408 HB3 CYS 61 HB1 CYS 61 -12.517 -7.527 7.155 409 H1 ALA 62 HT1 ALA 62 26.864 -3.371 18.148 410 H2 ALA 62 HT2 ALA 62 25.363 -4.174 18.373 411 H3 ALA 62 HT3 ALA 62 25.689 -2.704 19.202 412 HA ALA 62 HA ALA 62 24.409 -3.023 16.826 413 HB1 ALA 62 HB1 ALA 62 24.230 -1.208 18.569 414 HB2 ALA 62 HB2 ALA 62 24.196 -0.661 16.892 415 HB3 ALA 62 HB3 ALA 62 25.669 -0.485 17.849 416 H MET 63 HN MET 63 25.187 -3.528 14.908 417 HA MET 63 HA MET 63 27.914 -2.930 14.167 418 HB2 MET 63 HB2 MET 63 25.651 -4.232 12.643 419 HB3 MET 63 HB1 MET 63 27.286 -4.058 12.022 420 HG2 MET 63 HG2 MET 63 26.508 -5.596 14.491 421 HG3 MET 63 HG1 MET 63 26.855 -6.296 12.910 422 HE1 MET 63 HE1 MET 63 29.141 -7.910 13.969 423 HE2 MET 63 HE2 MET 63 28.026 -7.413 15.243 424 HE3 MET 63 HE3 MET 63 29.763 -7.190 15.452 425 H GLY 64 HN GLY 64 24.678 -2.032 12.990 426 HA2 GLY 64 HA2 GLY 64 25.714 0.559 12.184 427 HA3 GLY 64 HA1 GLY 64 25.133 -0.461 10.876 428 H LYS 65 HN LYS 65 23.620 1.347 10.544 429 HA LYS 65 HA LYS 65 21.468 1.510 12.519 430 HB2 LYS 65 HB2 LYS 65 21.696 3.070 9.944 431 HB3 LYS 65 HB1 LYS 65 20.706 3.445 11.351 432 HG2 LYS 65 HG2 LYS 65 22.865 3.695 12.648 433 HG3 LYS 65 HG1 LYS 65 23.697 3.629 11.095 434 HD2 LYS 65 HD2 LYS 65 21.579 5.634 11.868 435 HD3 LYS 65 HD1 LYS 65 23.315 5.934 11.842 436 HE2 LYS 65 HE2 LYS 65 21.667 5.130 9.446 437 HE3 LYS 65 HE1 LYS 65 22.136 6.783 9.841 438 HZ1 LYS 65 HZ1 LYS 65 24.489 5.449 9.889 439 HZ2 LYS 65 HZ2 LYS 65 23.906 6.376 8.597 440 HZ3 LYS 65 HZ3 LYS 65 23.669 4.691 8.608 441 H CYS 66 HN CYS 66 22.227 -0.507 10.149 442 HA CYS 66 HA CYS 66 19.484 -1.330 9.734 443 HB2 CYS 66 HB2 CYS 66 20.834 0.200 7.744 444 HB3 CYS 66 HB1 CYS 66 20.733 -1.456 7.155 445 H SER 67 HN SER 67 22.528 -1.963 8.023 446 HA SER 67 HA SER 67 23.876 -3.755 7.821 447 HB2 SER 67 HB2 SER 67 22.665 -4.512 10.480 448 HB3 SER 67 HB1 SER 67 24.027 -5.355 9.738 449 HG SER 67 HG SER 67 25.287 -3.822 10.429 450 H VAL 68 HN VAL 68 20.813 -5.073 9.125 451 HA VAL 68 HA VAL 68 21.066 -7.376 7.401 452 HB VAL 68 HB VAL 68 18.871 -8.049 8.440 453 HG11 VAL 68 HG11 VAL 68 21.121 -8.684 9.335 454 HG12 VAL 68 HG12 VAL 68 19.840 -8.648 10.546 455 HG13 VAL 68 HG13 VAL 68 20.994 -7.320 10.451 456 HG21 VAL 68 HG21 VAL 68 17.959 -6.807 10.260 457 HG22 VAL 68 HG22 VAL 68 18.141 -5.695 8.907 458 HG23 VAL 68 HG23 VAL 68 19.303 -5.659 10.234 459 H LEU 69 HN LEU 69 20.871 -5.135 5.798 460 HA LEU 69 HA LEU 69 18.127 -4.970 4.873 461 HB2 LEU 69 HB2 LEU 69 19.643 -3.738 2.924 462 HB3 LEU 69 HB1 LEU 69 18.841 -2.946 4.260 463 HG LEU 69 HG LEU 69 20.989 -3.249 5.578 464 HD11 LEU 69 HD11 LEU 69 22.916 -3.952 4.620 465 HD12 LEU 69 HD12 LEU 69 22.446 -3.414 3.007 466 HD13 LEU 69 HD13 LEU 69 21.784 -4.911 3.663 467 HD21 LEU 69 HD21 LEU 69 20.203 -1.128 4.552 468 HD22 LEU 69 HD22 LEU 69 21.161 -1.512 3.122 469 HD23 LEU 69 HD23 LEU 69 21.958 -1.256 4.674 470 H LYS 70 HN LYS 70 19.997 -4.860 2.127 471 HA LYS 70 HA LYS 70 18.977 -7.397 1.260 472 HB2 LYS 70 HB2 LYS 70 20.789 -6.591 -0.676 473 HB3 LYS 70 HB1 LYS 70 19.059 -6.274 -0.670 474 HG2 LYS 70 HG2 LYS 70 19.572 -4.170 0.628 475 HG3 LYS 70 HG1 LYS 70 21.273 -4.468 0.268 476 HD2 LYS 70 HD2 LYS 70 19.263 -4.442 -1.945 477 HD3 LYS 70 HD1 LYS 70 19.875 -2.918 -1.292 478 HE2 LYS 70 HE2 LYS 70 21.564 -5.168 -2.392 479 HE3 LYS 70 HE1 LYS 70 21.150 -3.686 -3.255 480 HZ1 LYS 70 HZ1 LYS 70 22.897 -4.009 -0.882 481 HZ2 LYS 70 HZ2 LYS 70 22.243 -2.498 -1.298 482 HZ3 LYS 70 HZ3 LYS 70 23.272 -3.307 -2.381 483 H LYS 71 HN LYS 71 21.370 -6.779 3.285 484 HA LYS 71 HA LYS 71 23.488 -8.327 2.209 485 HB2 LYS 71 HB2 LYS 71 22.927 -7.266 4.967 486 HB3 LYS 71 HB1 LYS 71 24.273 -8.361 4.663 487 HG2 LYS 71 HG2 LYS 71 24.657 -6.468 2.718 488 HG3 LYS 71 HG1 LYS 71 24.020 -5.513 4.063 489 HD2 LYS 71 HD2 LYS 71 26.323 -7.457 4.259 490 HD3 LYS 71 HD1 LYS 71 26.486 -5.703 4.116 491 HE2 LYS 71 HE2 LYS 71 25.819 -5.331 6.262 492 HE3 LYS 71 HE1 LYS 71 24.727 -6.716 6.273 493 HZ1 LYS 71 HZ1 LYS 71 27.625 -7.212 6.192 494 HZ2 LYS 71 HZ2 LYS 71 26.385 -8.143 6.889 495 HZ3 LYS 71 HZ3 LYS 71 26.924 -6.733 7.665 496 H VAL 72 HN VAL 72 21.212 -9.000 4.853 497 HA VAL 72 HA VAL 72 21.901 -11.840 4.734 498 HB VAL 72 HB VAL 72 19.824 -10.730 6.597 499 HG11 VAL 72 HG11 VAL 72 21.269 -12.459 8.061 500 HG12 VAL 72 HG12 VAL 72 21.594 -13.108 6.455 501 HG13 VAL 72 HG13 VAL 72 19.934 -12.963 7.031 502 HG21 VAL 72 HG21 VAL 72 21.872 -9.224 6.545 503 HG22 VAL 72 HG22 VAL 72 22.766 -10.587 7.214 504 HG23 VAL 72 HG23 VAL 72 21.428 -9.881 8.120 505 H ALA 73 HN ALA 73 20.656 -10.669 2.524 506 HA ALA 73 HA ALA 73 18.966 -10.961 1.024 507 HB1 ALA 73 HB1 ALA 73 19.465 -13.422 2.234 508 HB2 ALA 73 HB2 ALA 73 18.659 -13.134 0.693 509 HB3 ALA 73 HB3 ALA 73 17.709 -13.280 2.173 510 H CYS 74 HN CYS 74 18.497 -9.406 3.453 511 HA CYS 74 HA CYS 74 16.811 -8.314 4.548 512 HB2 CYS 74 HB2 CYS 74 15.142 -9.212 2.193 513 HB3 CYS 74 HB1 CYS 74 14.812 -7.848 3.256 514 H ALA 75 HN ALA 75 17.186 -10.874 5.531 515 HA ALA 75 HA ALA 75 14.587 -12.119 5.770 516 HB1 ALA 75 HB1 ALA 75 15.702 -14.002 6.170 517 HB2 ALA 75 HB2 ALA 75 16.678 -13.254 7.435 518 HB3 ALA 75 HB3 ALA 75 17.155 -13.105 5.742 519 H ALA 76 HN ALA 76 16.921 -10.529 7.921 520 HA ALA 76 HA ALA 76 15.530 -11.006 10.309 521 HB1 ALA 76 HB1 ALA 76 16.938 -8.663 10.723 522 HB2 ALA 76 HB2 ALA 76 17.834 -9.502 9.456 523 HB3 ALA 76 HB3 ALA 76 17.514 -10.308 10.991 524 H ALA 77 HN ALA 77 15.815 -7.812 8.721 525 HA ALA 77 HA ALA 77 13.633 -6.763 10.243 526 HB1 ALA 77 HB1 ALA 77 14.020 -4.740 8.735 527 HB2 ALA 77 HB2 ALA 77 15.392 -5.648 8.096 528 HB3 ALA 77 HB3 ALA 77 15.328 -5.234 9.809 529 H ILE 78 HN ILE 78 13.237 -8.865 7.845 530 HA ILE 78 HA ILE 78 10.826 -7.476 6.920 531 HB ILE 78 HB ILE 78 12.915 -8.760 5.212 532 HG12 ILE 78 HG12 ILE 78 11.169 -6.307 4.910 533 HG13 ILE 78 HG11 ILE 78 12.814 -6.319 5.558 534 HG21 ILE 78 HG21 ILE 78 10.009 -8.983 4.772 535 HG22 ILE 78 HG22 ILE 78 11.334 -9.957 4.134 536 HG23 ILE 78 HG23 ILE 78 10.956 -8.398 3.398 537 HD11 ILE 78 HD11 ILE 78 12.185 -5.811 2.984 538 HD12 ILE 78 HD12 ILE 78 12.526 -7.539 2.911 539 HD13 ILE 78 HD13 ILE 78 13.745 -6.422 3.528 540 H ALA 79 HN ALA 79 12.359 -10.729 6.938 541 HA ALA 79 HA ALA 79 9.816 -12.039 6.890 542 HB1 ALA 79 HB1 ALA 79 12.556 -13.108 7.565 543 HB2 ALA 79 HB2 ALA 79 11.739 -13.203 6.005 544 HB3 ALA 79 HB3 ALA 79 11.110 -14.096 7.391 545 H GLY 80 HN GLY 80 12.078 -11.049 9.401 546 HA2 GLY 80 HA2 GLY 80 10.656 -12.369 11.527 547 HA3 GLY 80 HA1 GLY 80 11.929 -11.168 11.711 548 H ALA 81 HN ALA 81 10.404 -9.373 9.847 549 HA ALA 81 HA ALA 81 9.001 -7.904 11.823 550 HB1 ALA 81 HB1 ALA 81 10.081 -6.681 10.092 551 HB2 ALA 81 HB2 ALA 81 8.346 -6.457 9.873 552 HB3 ALA 81 HB3 ALA 81 9.227 -7.580 8.839 553 H VAL 82 HN VAL 82 8.135 -10.355 9.596 554 HA VAL 82 HA VAL 82 5.388 -9.847 9.287 555 HB VAL 82 HB VAL 82 7.083 -12.343 9.038 556 HG11 VAL 82 HG11 VAL 82 4.765 -12.949 9.598 557 HG12 VAL 82 HG12 VAL 82 5.216 -13.428 7.960 558 HG13 VAL 82 HG13 VAL 82 4.208 -12.005 8.221 559 HG21 VAL 82 HG21 VAL 82 6.679 -11.974 6.621 560 HG22 VAL 82 HG22 VAL 82 7.567 -10.662 7.397 561 HG23 VAL 82 HG23 VAL 82 5.854 -10.468 7.021 562 H ALA 83 HN ALA 83 7.273 -11.663 11.663 563 HA ALA 83 HA ALA 83 4.979 -12.715 13.019 564 HB1 ALA 83 HB1 ALA 83 7.901 -12.847 13.340 565 HB2 ALA 83 HB2 ALA 83 6.679 -14.112 13.476 566 HB3 ALA 83 HB3 ALA 83 6.955 -13.010 14.821 567 H ALA 84 HN ALA 84 6.525 -9.697 13.026 568 HA ALA 84 HA ALA 84 5.941 -9.012 15.755 569 HB1 ALA 84 HB1 ALA 84 6.411 -6.683 14.198 570 HB2 ALA 84 HB2 ALA 84 7.539 -7.936 13.676 571 HB3 ALA 84 HB3 ALA 84 7.476 -7.458 15.373 572 H CYS 85 HN CYS 85 4.451 -8.496 12.607 573 HA CYS 85 HA CYS 85 2.407 -6.792 13.800 574 HB2 CYS 85 HB2 CYS 85 3.279 -6.133 11.606 575 HB3 CYS 85 HB1 CYS 85 2.754 -7.673 10.931 576 H GLY 86 HN GLY 86 2.700 -9.964 12.263 577 HA2 GLY 86 HA2 GLY 86 1.304 -11.756 13.158 578 HA3 GLY 86 HA1 GLY 86 0.005 -10.577 13.299 579 H GLY 87 HN GLY 87 2.205 -10.941 10.578 580 HA2 GLY 87 HA2 GLY 87 0.935 -12.593 8.862 581 HA3 GLY 87 HA1 GLY 87 -0.041 -11.132 8.768 582 H ILE 88 HN ILE 88 1.214 -12.037 6.514 583 HA ILE 88 HA ILE 88 3.598 -10.351 6.244 584 HB ILE 88 HB ILE 88 4.092 -12.535 5.514 585 HG12 ILE 88 HG12 ILE 88 4.439 -12.293 3.051 586 HG13 ILE 88 HG11 ILE 88 3.426 -10.851 3.091 587 HG21 ILE 88 HG21 ILE 88 1.397 -12.463 4.239 588 HG22 ILE 88 HG22 ILE 88 2.107 -13.676 5.305 589 HG23 ILE 88 HG23 ILE 88 2.636 -13.560 3.626 590 HD11 ILE 88 HD11 ILE 88 6.078 -11.234 4.457 591 HD12 ILE 88 HD12 ILE 88 5.032 -9.832 4.666 592 HD13 ILE 88 HD13 ILE 88 5.722 -10.186 3.082 593 H ASP 89 HN ASP 89 3.481 -8.473 5.271 594 HA ASP 89 HA ASP 89 1.874 -7.986 2.968 595 HB2 ASP 89 HB2 ASP 89 0.523 -6.129 3.981 596 HB3 ASP 89 HB1 ASP 89 0.070 -7.733 4.542 597 H LEU 90 HN LEU 90 2.109 -5.209 4.830 598 HA LEU 90 HA LEU 90 4.769 -4.427 4.657 599 HB2 LEU 90 HB2 LEU 90 4.669 -4.498 2.282 600 HB3 LEU 90 HB1 LEU 90 3.120 -3.683 2.247 601 HG LEU 90 HG LEU 90 4.202 -1.599 3.012 602 HD11 LEU 90 HD11 LEU 90 6.770 -1.596 2.701 603 HD12 LEU 90 HD12 LEU 90 6.648 -3.330 3.028 604 HD13 LEU 90 HD13 LEU 90 6.096 -2.164 4.237 605 HD21 LEU 90 HD21 LEU 90 4.036 -2.475 0.541 606 HD22 LEU 90 HD22 LEU 90 5.793 -2.493 0.666 607 HD23 LEU 90 HD23 LEU 90 4.911 -0.990 0.923 608 HA PRO 91 HA PRO 91 1.627 -0.524 5.110 609 HB2 PRO 91 HB2 PRO 91 -0.732 -1.653 6.168 610 HB3 PRO 91 HB1 PRO 91 -0.536 -0.862 4.602 611 HG2 PRO 91 HG2 PRO 91 -0.494 -3.762 5.281 612 HG3 PRO 91 HG1 PRO 91 -1.101 -2.955 3.821 613 HD2 PRO 91 HD2 PRO 91 1.203 -4.276 3.773 614 HD3 PRO 91 HD1 PRO 91 1.034 -2.729 2.912 615 H CYS 92 HN CYS 92 1.548 -3.449 7.137 616 HA CYS 92 HA CYS 92 1.732 -1.691 9.473 617 HB2 CYS 92 HB2 CYS 92 0.854 -3.448 10.808 618 HB3 CYS 92 HB1 CYS 92 -0.144 -3.381 9.362 619 H VAL 93 HN VAL 93 3.293 -4.187 7.683 620 HA VAL 93 HA VAL 93 5.165 -5.114 9.514 621 HB VAL 93 HB VAL 93 5.434 -4.843 6.514 622 HG11 VAL 93 HG11 VAL 93 7.300 -6.042 6.601 623 HG12 VAL 93 HG12 VAL 93 6.648 -7.132 7.819 624 HG13 VAL 93 HG13 VAL 93 7.354 -5.592 8.304 625 HG21 VAL 93 HG21 VAL 93 3.397 -6.081 7.561 626 HG22 VAL 93 HG22 VAL 93 4.580 -7.341 7.911 627 HG23 VAL 93 HG23 VAL 93 4.299 -6.832 6.245 628 H LEU 94 HN LEU 94 4.967 -2.085 7.880 629 HA LEU 94 HA LEU 94 7.606 -1.327 7.609 630 HB2 LEU 94 HB2 LEU 94 6.702 1.048 8.077 631 HB3 LEU 94 HB1 LEU 94 6.127 0.172 6.677 632 HG LEU 94 HG LEU 94 4.049 -0.401 7.930 633 HD11 LEU 94 HD11 LEU 94 4.076 -0.213 10.156 634 HD12 LEU 94 HD12 LEU 94 3.929 1.525 9.902 635 HD13 LEU 94 HD13 LEU 94 5.519 0.800 10.130 636 HD21 LEU 94 HD21 LEU 94 4.375 1.644 6.444 637 HD22 LEU 94 HD22 LEU 94 4.458 2.568 7.944 638 HD23 LEU 94 HD23 LEU 94 3.007 1.650 7.554 639 H ALA 95 HN ALA 95 5.784 -1.718 10.535 640 HA ALA 95 HA ALA 95 7.143 -0.001 12.271 641 HB1 ALA 95 HB1 ALA 95 5.013 -1.170 12.782 642 HB2 ALA 95 HB2 ALA 95 6.213 -1.292 14.069 643 HB3 ALA 95 HB3 ALA 95 5.927 -2.661 12.997 644 H ALA 96 HN ALA 96 7.714 -3.497 11.780 645 HA ALA 96 HA ALA 96 10.160 -3.346 13.317 646 HB1 ALA 96 HB1 ALA 96 8.445 -5.334 13.082 647 HB2 ALA 96 HB2 ALA 96 10.165 -5.628 13.342 648 HB3 ALA 96 HB3 ALA 96 9.483 -5.758 11.720 649 H LEU 97 HN LEU 97 9.202 -3.088 10.047 650 HA LEU 97 HA LEU 97 11.562 -3.870 8.718 651 HB2 LEU 97 HB2 LEU 97 9.440 -3.542 7.567 652 HB3 LEU 97 HB1 LEU 97 9.442 -1.841 7.986 653 HG LEU 97 HG LEU 97 11.334 -1.442 6.518 654 HD11 LEU 97 HD11 LEU 97 12.035 -3.330 4.987 655 HD12 LEU 97 HD12 LEU 97 11.247 -4.421 6.128 656 HD13 LEU 97 HD13 LEU 97 12.605 -3.426 6.654 657 HD21 LEU 97 HD21 LEU 97 8.768 -2.470 5.660 658 HD22 LEU 97 HD22 LEU 97 10.017 -2.731 4.442 659 HD23 LEU 97 HD23 LEU 97 9.701 -1.106 5.047 660 H LYS 98 HN LYS 98 10.384 -0.711 9.780 661 HA LYS 98 HA LYS 98 11.370 1.217 10.374 662 HB2 LYS 98 HB2 LYS 98 12.618 -0.446 11.846 663 HB3 LYS 98 HB1 LYS 98 13.950 -0.287 10.708 664 HG2 LYS 98 HG2 LYS 98 14.223 2.014 11.218 665 HG3 LYS 98 HG1 LYS 98 12.715 2.053 12.137 666 HD2 LYS 98 HD2 LYS 98 13.695 0.459 13.745 667 HD3 LYS 98 HD1 LYS 98 15.210 0.513 12.846 668 HE2 LYS 98 HE2 LYS 98 13.878 2.829 14.247 669 HE3 LYS 98 HE1 LYS 98 15.330 1.975 14.779 670 HZ1 LYS 98 HZ1 LYS 98 16.168 3.834 13.723 671 HZ2 LYS 98 HZ2 LYS 98 14.995 3.821 12.502 672 HZ3 LYS 98 HZ3 LYS 98 16.245 2.666 12.494 673 H ALA 99 HN ALA 99 11.585 2.713 8.936 674 HA ALA 99 HA ALA 99 13.278 2.342 6.606 675 HB1 ALA 99 HB1 ALA 99 11.093 4.180 7.383 676 HB2 ALA 99 HB2 ALA 99 11.391 3.351 5.856 677 HB3 ALA 99 HB3 ALA 99 12.299 4.808 6.264 678 H ALA 100 HN ALA 100 15.317 2.357 7.699 679 HA ALA 100 HA ALA 100 16.142 4.943 8.826 680 HB1 ALA 100 HB1 ALA 100 16.584 3.058 10.267 681 HB2 ALA 100 HB2 ALA 100 18.114 3.701 9.673 682 HB3 ALA 100 HB3 ALA 100 17.448 2.225 8.975 683 H GLU 101 HN GLU 101 18.597 2.852 7.655 684 HA GLU 101 HA GLU 101 19.166 4.757 5.494 685 HB2 GLU 101 HB2 GLU 101 21.477 3.798 5.567 686 HB3 GLU 101 HB1 GLU 101 20.989 4.599 7.053 687 HG2 GLU 101 HG2 GLU 101 20.532 2.431 8.076 688 HG3 GLU 101 HG1 GLU 101 20.997 1.626 6.578 689 H GLY 102 HN GLY 102 17.163 2.970 5.018 690 HA2 GLY 102 HA2 GLY 102 16.911 1.960 2.787 691 HA3 GLY 102 HA1 GLY 102 18.419 1.108 3.101 692 H CYS 103 HN CYS 103 18.002 -0.975 3.341 693 HA CYS 103 HA CYS 103 17.251 -2.918 4.224 694 HB2 CYS 103 HB2 CYS 103 15.985 -1.043 6.201 695 HB3 CYS 103 HB1 CYS 103 15.633 -2.768 6.244 696 H ALA 104 HN ALA 104 14.611 -0.544 3.959 697 HA ALA 104 HA ALA 104 12.698 -2.581 3.292 698 HB1 ALA 104 HB1 ALA 104 12.430 -0.162 4.384 699 HB2 ALA 104 HB2 ALA 104 11.122 -0.979 3.527 700 HB3 ALA 104 HB3 ALA 104 12.085 0.248 2.702 701 H SER 105 HN SER 105 15.064 -1.008 1.466 702 HA SER 105 HA SER 105 13.848 -0.422 -0.937 703 HB2 SER 105 HB2 SER 105 16.063 -0.900 -1.988 704 HB3 SER 105 HB1 SER 105 16.145 0.154 -0.577 705 HG SER 105 HG SER 105 17.563 -1.955 -0.945 706 H CYS 106 HN CYS 106 15.261 -3.580 -0.031 707 HA CYS 106 HA CYS 106 14.551 -4.922 -2.401 708 HB2 CYS 106 HB2 CYS 106 14.726 -7.005 -0.929 709 HB3 CYS 106 HB1 CYS 106 16.162 -5.988 -1.037 710 H PHE 107 HN PHE 107 12.788 -4.214 0.496 711 HA PHE 107 HA PHE 107 10.688 -6.064 0.139 712 HB2 PHE 107 HB2 PHE 107 11.426 -4.738 2.239 713 HB3 PHE 107 HB1 PHE 107 10.397 -3.460 1.603 714 HD1 PHE 107 HD2 PHE 107 8.392 -5.596 0.396 715 HD2 PHE 107 HD1 PHE 107 10.107 -4.904 4.223 716 HE1 PHE 107 HE2 PHE 107 6.447 -6.659 1.454 717 HE2 PHE 107 HE1 PHE 107 8.189 -5.969 5.287 718 HZ PHE 107 HZ PHE 107 6.335 -6.839 3.895 719 H CYS 108 HN CYS 108 10.756 -2.503 -0.429 720 HA CYS 108 HA CYS 108 8.251 -2.674 -1.833 721 HB2 CYS 108 HB2 CYS 108 9.001 -0.223 -2.453 722 HB3 CYS 108 HB1 CYS 108 8.344 -0.610 -0.888 723 H GLU 109 HN GLU 109 10.812 -4.001 -2.842 724 HA GLU 109 HA GLU 109 11.723 -2.787 -5.154 725 HB2 GLU 109 HB2 GLU 109 12.438 -4.993 -3.953 726 HB3 GLU 109 HB1 GLU 109 11.232 -5.758 -4.971 727 HG2 GLU 109 HG2 GLU 109 13.282 -6.053 -6.067 728 HG3 GLU 109 HG1 GLU 109 12.417 -4.804 -6.958 729 H ASP 110 HN ASP 110 9.342 -5.427 -5.008 730 HA ASP 110 HA ASP 110 8.240 -4.662 -7.591 731 HB2 ASP 110 HB2 ASP 110 8.697 -7.065 -6.986 732 HB3 ASP 110 HB1 ASP 110 7.430 -6.946 -5.771 733 H HIS 111 HN HIS 111 7.798 -3.980 -4.370 734 HA HIS 111 HA HIS 111 4.956 -3.265 -4.705 735 HB2 HIS 111 HB2 HIS 111 6.453 -3.435 -2.082 736 HB3 HIS 111 HB1 HIS 111 4.713 -3.406 -2.333 737 HD2 HIS 111 HD2 HIS 111 7.378 -5.924 -1.562 738 HE1 HIS 111 HE1 HIS 111 4.286 -8.121 -3.485 739 HE2 HIS 111 HE2 HIS 111 6.399 -8.268 -2.109 740 H CYS 112 HN CYS 112 6.142 -1.430 -5.980 741 HA CYS 112 HA CYS 112 7.274 0.634 -4.275 742 HB2 CYS 112 HB2 CYS 112 7.152 0.128 -7.196 743 HB3 CYS 112 HB1 CYS 112 7.232 1.808 -6.679 744 H HIS 113 HN HIS 113 4.539 0.120 -3.769 745 HA HIS 113 HA HIS 113 3.511 2.734 -4.432 746 HB2 HIS 113 HB2 HIS 113 1.299 1.819 -5.033 747 HB3 HIS 113 HB1 HIS 113 2.559 1.344 -6.161 748 HD2 HIS 113 HD2 HIS 113 -0.346 -0.251 -4.662 749 HE1 HIS 113 HE1 HIS 113 2.532 -3.371 -4.769 750 HE2 HIS 113 HE2 HIS 113 0.134 -2.762 -4.275 751 H GLY 114 HN GLY 114 3.869 0.155 -2.283 752 HA2 GLY 114 HA2 GLY 114 1.687 0.801 -0.535 753 HA3 GLY 114 HA1 GLY 114 3.016 -0.293 -0.183 754 H VAL 115 HN VAL 115 2.969 0.645 1.946 755 HA VAL 115 HA VAL 115 3.453 3.365 2.492 756 HB VAL 115 HB VAL 115 4.116 2.575 4.757 757 HG11 VAL 115 HG11 VAL 115 1.944 1.948 5.391 758 HG12 VAL 115 HG12 VAL 115 1.629 1.157 3.847 759 HG13 VAL 115 HG13 VAL 115 1.721 2.918 3.933 760 HG21 VAL 115 HG21 VAL 115 4.258 0.328 5.326 761 HG22 VAL 115 HG22 VAL 115 5.067 0.382 3.762 762 HG23 VAL 115 HG23 VAL 115 3.407 -0.200 3.875 763 H CYS 116 HN CYS 116 5.600 1.227 1.047 764 HA CYS 116 HA CYS 116 7.974 2.177 2.400 765 HB2 CYS 116 HB2 CYS 116 7.695 -0.073 1.157 766 HB3 CYS 116 HB1 CYS 116 7.959 0.865 -0.306 767 H LYS 117 HN LYS 117 5.951 3.120 -0.180 768 HA LYS 117 HA LYS 117 7.845 4.885 -1.434 769 HB2 LYS 117 HB2 LYS 117 6.185 3.787 -2.803 770 HB3 LYS 117 HB1 LYS 117 4.883 4.414 -1.801 771 HG2 LYS 117 HG2 LYS 117 4.970 6.468 -2.714 772 HG3 LYS 117 HG1 LYS 117 6.692 6.358 -3.080 773 HD2 LYS 117 HD2 LYS 117 4.987 4.455 -4.545 774 HD3 LYS 117 HD1 LYS 117 4.701 6.154 -4.937 775 HE2 LYS 117 HE2 LYS 117 6.998 6.475 -5.538 776 HE3 LYS 117 HE1 LYS 117 7.431 4.877 -4.925 777 HZ1 LYS 117 HZ1 LYS 117 6.173 3.854 -6.676 778 HZ2 LYS 117 HZ2 LYS 117 7.232 4.977 -7.379 779 HZ3 LYS 117 HZ3 LYS 117 5.583 5.349 -7.212 780 H ASP 118 HN ASP 118 6.037 4.966 1.356 781 HA ASP 118 HA ASP 118 5.138 7.651 1.427 782 HB2 ASP 118 HB2 ASP 118 4.233 6.038 2.978 783 HB3 ASP 118 HB1 ASP 118 5.823 5.676 3.625 784 H LEU 119 HN LEU 119 8.187 6.077 2.035 785 HA LEU 119 HA LEU 119 9.402 8.693 2.643 786 HB2 LEU 119 HB2 LEU 119 9.593 6.917 4.429 787 HB3 LEU 119 HB1 LEU 119 10.559 5.982 3.302 788 HG LEU 119 HG LEU 119 12.103 8.027 3.200 789 HD11 LEU 119 HD11 LEU 119 11.261 8.737 5.915 790 HD12 LEU 119 HD12 LEU 119 10.166 9.248 4.627 791 HD13 LEU 119 HD13 LEU 119 11.857 9.752 4.604 792 HD21 LEU 119 HD21 LEU 119 11.962 6.600 5.844 793 HD22 LEU 119 HD22 LEU 119 13.384 7.273 5.048 794 HD23 LEU 119 HD23 LEU 119 12.573 5.866 4.361 795 H HIS 120 HN HIS 120 9.029 6.342 0.321 796 HA HIS 120 HA HIS 120 9.917 5.965 -1.731 797 HB2 HIS 120 HB2 HIS 120 11.495 8.476 -1.146 798 HB3 HIS 120 HB1 HIS 120 11.499 7.642 -2.695 799 HD2 HIS 120 HD2 HIS 120 9.722 10.487 -1.091 800 HE1 HIS 120 HE1 HIS 120 7.011 8.999 -3.997 801 HE2 HIS 120 HE2 HIS 120 7.474 10.831 -2.322 802 H LEU 121 HN LEU 121 10.823 4.027 -0.782 803 HA LEU 121 HA LEU 121 13.730 4.194 -0.514 804 HB2 LEU 121 HB2 LEU 121 11.833 2.263 0.795 805 HB3 LEU 121 HB1 LEU 121 13.581 2.132 0.864 806 HG LEU 121 HG LEU 121 11.973 4.455 1.946 807 HD11 LEU 121 HD11 LEU 121 12.111 3.555 4.040 808 HD12 LEU 121 HD12 LEU 121 13.517 2.564 3.648 809 HD13 LEU 121 HD13 LEU 121 11.915 2.093 3.076 810 HD21 LEU 121 HD21 LEU 121 14.915 3.813 2.018 811 HD22 LEU 121 HD22 LEU 121 14.145 5.022 3.045 812 HD23 LEU 121 HD23 LEU 121 14.139 5.217 1.291 813 H CYS 122 HN CYS 122 11.560 3.362 -2.741 814 HA CYS 122 HA CYS 122 13.327 1.266 -3.800 815 HB2 CYS 122 HB2 CYS 122 11.499 0.031 -4.755 816 HB3 CYS 122 HB1 CYS 122 11.170 0.192 -3.036 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -32.303 7.848 -3.865 2 H2 ALA 1 HT2 ALA 1 -32.492 8.782 -2.437 3 H3 ALA 1 HT3 ALA 1 -33.844 7.974 -3.119 4 HA ALA 1 HA ALA 1 -33.061 6.826 -1.210 5 HB1 ALA 1 HB1 ALA 1 -33.774 5.705 -3.509 6 HB2 ALA 1 HB2 ALA 1 -33.254 4.749 -2.119 7 HB3 ALA 1 HB3 ALA 1 -32.120 5.092 -3.428 8 H MET 2 HN MET 2 -31.403 6.401 0.118 9 HA MET 2 HA MET 2 -28.688 6.515 -1.018 10 HB2 MET 2 HB2 MET 2 -27.923 7.448 1.151 11 HB3 MET 2 HB1 MET 2 -29.021 8.506 0.293 12 HG2 MET 2 HG2 MET 2 -29.929 6.699 2.516 13 HG3 MET 2 HG1 MET 2 -29.300 8.315 2.800 14 HE1 MET 2 HE1 MET 2 -31.492 9.412 3.918 15 HE2 MET 2 HE2 MET 2 -31.783 7.677 4.032 16 HE3 MET 2 HE3 MET 2 -33.071 8.745 3.480 17 H GLY 3 HN GLY 3 -27.401 5.838 1.454 18 HA2 GLY 3 HA2 GLY 3 -28.301 3.573 2.742 19 HA3 GLY 3 HA1 GLY 3 -27.531 2.994 1.270 20 H LYS 4 HN LYS 4 -26.459 2.187 3.627 21 HA LYS 4 HA LYS 4 -24.238 4.010 4.190 22 HB2 LYS 4 HB2 LYS 4 -25.710 2.622 5.930 23 HB3 LYS 4 HB1 LYS 4 -24.511 1.385 5.586 24 HG2 LYS 4 HG2 LYS 4 -22.729 2.899 6.282 25 HG3 LYS 4 HG1 LYS 4 -23.923 4.164 6.591 26 HD2 LYS 4 HD2 LYS 4 -25.032 2.517 8.178 27 HD3 LYS 4 HD1 LYS 4 -23.556 1.559 8.047 28 HE2 LYS 4 HE2 LYS 4 -23.785 4.406 9.021 29 HE3 LYS 4 HE1 LYS 4 -23.461 2.985 10.010 30 HZ1 LYS 4 HZ1 LYS 4 -21.355 2.693 8.807 31 HZ2 LYS 4 HZ2 LYS 4 -21.439 4.208 9.572 32 HZ3 LYS 4 HZ3 LYS 4 -21.671 4.099 7.901 33 H CYS 5 HN CYS 5 -24.624 0.509 3.648 34 HA CYS 5 HA CYS 5 -22.225 0.584 1.953 35 HB2 CYS 5 HB2 CYS 5 -21.704 -0.301 4.261 36 HB3 CYS 5 HB1 CYS 5 -22.819 -1.622 3.938 37 H SER 6 HN SER 6 -24.191 0.748 0.480 38 HA SER 6 HA SER 6 -25.715 -1.655 0.061 39 HB2 SER 6 HB2 SER 6 -25.467 0.740 -1.776 40 HB3 SER 6 HB1 SER 6 -26.763 -0.458 -1.750 41 HG SER 6 HG SER 6 -27.577 0.415 0.057 42 H VAL 7 HN VAL 7 -25.665 -2.954 -1.822 43 HA VAL 7 HA VAL 7 -24.490 -4.465 -3.070 44 HB VAL 7 HB VAL 7 -23.688 -3.510 -5.212 45 HG11 VAL 7 HG11 VAL 7 -26.034 -4.051 -4.907 46 HG12 VAL 7 HG12 VAL 7 -25.868 -2.616 -5.918 47 HG13 VAL 7 HG13 VAL 7 -26.334 -2.454 -4.227 48 HG21 VAL 7 HG21 VAL 7 -23.314 -1.308 -5.602 49 HG22 VAL 7 HG22 VAL 7 -23.051 -1.265 -3.859 50 HG23 VAL 7 HG23 VAL 7 -24.610 -0.781 -4.528 51 H LEU 8 HN LEU 8 -22.995 -4.087 -0.885 52 HA LEU 8 HA LEU 8 -20.420 -3.159 -1.082 53 HB2 LEU 8 HB2 LEU 8 -19.862 -4.842 0.691 54 HB3 LEU 8 HB1 LEU 8 -21.218 -3.791 1.038 55 HG LEU 8 HG LEU 8 -22.260 -6.142 -0.166 56 HD11 LEU 8 HD11 LEU 8 -21.462 -7.635 1.848 57 HD12 LEU 8 HD12 LEU 8 -20.030 -6.613 1.740 58 HD13 LEU 8 HD13 LEU 8 -20.540 -7.557 0.340 59 HD21 LEU 8 HD21 LEU 8 -23.768 -5.410 1.308 60 HD22 LEU 8 HD22 LEU 8 -22.548 -4.543 2.242 61 HD23 LEU 8 HD23 LEU 8 -22.821 -6.260 2.534 62 H LYS 9 HN LYS 9 -21.400 -6.553 -1.766 63 HA LYS 9 HA LYS 9 -18.825 -6.852 -3.108 64 HB2 LYS 9 HB2 LYS 9 -19.100 -9.222 -2.788 65 HB3 LYS 9 HB1 LYS 9 -19.306 -8.409 -1.253 66 HG2 LYS 9 HG2 LYS 9 -21.837 -8.565 -1.786 67 HG3 LYS 9 HG1 LYS 9 -21.351 -9.777 -2.967 68 HD2 LYS 9 HD2 LYS 9 -20.948 -9.849 0.018 69 HD3 LYS 9 HD1 LYS 9 -21.947 -10.923 -0.962 70 HE2 LYS 9 HE2 LYS 9 -18.945 -10.707 -1.022 71 HE3 LYS 9 HE1 LYS 9 -19.878 -12.015 -0.304 72 HZ1 LYS 9 HZ1 LYS 9 -19.773 -13.037 -2.265 73 HZ2 LYS 9 HZ2 LYS 9 -19.023 -11.702 -2.991 74 HZ3 LYS 9 HZ3 LYS 9 -20.714 -11.805 -2.951 75 H LYS 10 HN LYS 10 -21.129 -5.496 -4.263 76 HA LYS 10 HA LYS 10 -21.609 -7.298 -6.539 77 HB2 LYS 10 HB2 LYS 10 -23.661 -6.918 -5.238 78 HB3 LYS 10 HB1 LYS 10 -23.469 -5.184 -5.439 79 HG2 LYS 10 HG2 LYS 10 -23.771 -5.406 -7.837 80 HG3 LYS 10 HG1 LYS 10 -23.919 -7.158 -7.667 81 HD2 LYS 10 HD2 LYS 10 -25.908 -6.854 -6.275 82 HD3 LYS 10 HD1 LYS 10 -25.754 -5.103 -6.429 83 HE2 LYS 10 HE2 LYS 10 -26.139 -5.230 -8.800 84 HE3 LYS 10 HE1 LYS 10 -26.129 -6.992 -8.744 85 HZ1 LYS 10 HZ1 LYS 10 -28.363 -6.468 -8.776 86 HZ2 LYS 10 HZ2 LYS 10 -28.191 -5.120 -7.749 87 HZ3 LYS 10 HZ3 LYS 10 -28.073 -6.690 -7.119 88 H VAL 11 HN VAL 11 -21.886 -3.806 -5.804 89 HA VAL 11 HA VAL 11 -20.606 -3.276 -8.407 90 HB VAL 11 HB VAL 11 -22.329 -1.358 -6.816 91 HG11 VAL 11 HG11 VAL 11 -21.918 0.174 -8.376 92 HG12 VAL 11 HG12 VAL 11 -22.182 -0.979 -9.682 93 HG13 VAL 11 HG13 VAL 11 -20.599 -0.866 -8.912 94 HG21 VAL 11 HG21 VAL 11 -24.169 -2.309 -7.606 95 HG22 VAL 11 HG22 VAL 11 -23.182 -3.627 -8.242 96 HG23 VAL 11 HG23 VAL 11 -23.547 -2.229 -9.252 97 H ALA 12 HN ALA 12 -20.441 -2.660 -4.964 98 HA ALA 12 HA ALA 12 -18.692 -0.470 -4.963 99 HB1 ALA 12 HB1 ALA 12 -18.006 -2.050 -2.741 100 HB2 ALA 12 HB2 ALA 12 -19.733 -2.299 -3.021 101 HB3 ALA 12 HB3 ALA 12 -19.100 -0.666 -2.795 102 H CYS 13 HN CYS 13 -18.092 -3.855 -5.518 103 HA CYS 13 HA CYS 13 -15.280 -3.785 -5.091 104 HB2 CYS 13 HB2 CYS 13 -16.783 -5.695 -6.885 105 HB3 CYS 13 HB1 CYS 13 -15.222 -5.954 -6.112 106 H ALA 14 HN ALA 14 -17.261 -2.602 -7.608 107 HA ALA 14 HA ALA 14 -14.994 -2.545 -9.453 108 HB1 ALA 14 HB1 ALA 14 -17.305 -3.496 -10.118 109 HB2 ALA 14 HB2 ALA 14 -16.463 -2.424 -11.241 110 HB3 ALA 14 HB3 ALA 14 -17.779 -1.801 -10.245 111 H ALA 15 HN ALA 15 -16.776 -0.630 -7.322 112 HA ALA 15 HA ALA 15 -16.315 1.853 -8.745 113 HB1 ALA 15 HB1 ALA 15 -18.094 0.980 -6.704 114 HB2 ALA 15 HB2 ALA 15 -18.107 2.488 -7.615 115 HB3 ALA 15 HB3 ALA 15 -17.192 2.375 -6.112 116 H ALA 16 HN ALA 16 -15.607 0.937 -5.368 117 HA ALA 16 HA ALA 16 -13.372 2.791 -5.363 118 HB1 ALA 16 HB1 ALA 16 -13.441 2.711 -3.060 119 HB2 ALA 16 HB2 ALA 16 -14.098 1.076 -3.031 120 HB3 ALA 16 HB3 ALA 16 -15.128 2.432 -3.489 121 H ILE 17 HN ILE 17 -13.620 -0.274 -6.398 122 HA ILE 17 HA ILE 17 -10.924 -0.961 -5.442 123 HB ILE 17 HB ILE 17 -13.276 -2.753 -6.002 124 HG12 ILE 17 HG12 ILE 17 -11.445 -2.649 -3.607 125 HG13 ILE 17 HG11 ILE 17 -12.846 -1.581 -3.769 126 HG21 ILE 17 HG21 ILE 17 -11.522 -3.940 -7.039 127 HG22 ILE 17 HG22 ILE 17 -11.690 -4.640 -5.425 128 HG23 ILE 17 HG23 ILE 17 -10.374 -3.509 -5.771 129 HD11 ILE 17 HD11 ILE 17 -12.971 -3.916 -2.517 130 HD12 ILE 17 HD12 ILE 17 -13.320 -4.473 -4.151 131 HD13 ILE 17 HD13 ILE 17 -14.337 -3.245 -3.402 132 H ALA 18 HN ALA 18 -13.082 -1.894 -8.164 133 HA ALA 18 HA ALA 18 -10.883 -2.305 -9.929 134 HB1 ALA 18 HB1 ALA 18 -13.761 -1.821 -10.699 135 HB2 ALA 18 HB2 ALA 18 -13.114 -3.387 -10.208 136 HB3 ALA 18 HB3 ALA 18 -12.511 -2.603 -11.667 137 H GLY 19 HN GLY 19 -12.784 0.439 -9.013 138 HA2 GLY 19 HA2 GLY 19 -11.834 2.070 -11.232 139 HA3 GLY 19 HA1 GLY 19 -12.900 2.592 -9.932 140 H ALA 20 HN ALA 20 -10.289 0.867 -8.768 141 HA ALA 20 HA ALA 20 -8.742 3.289 -8.218 142 HB1 ALA 20 HB1 ALA 20 -9.114 0.996 -6.304 143 HB2 ALA 20 HB2 ALA 20 -10.083 2.469 -6.263 144 HB3 ALA 20 HB3 ALA 20 -8.344 2.548 -5.984 145 H VAL 21 HN VAL 21 -8.774 0.387 -9.736 146 HA VAL 21 HA VAL 21 -6.298 -0.762 -9.087 147 HB VAL 21 HB VAL 21 -8.068 -0.967 -11.530 148 HG11 VAL 21 HG11 VAL 21 -6.679 -2.410 -12.529 149 HG12 VAL 21 HG12 VAL 21 -6.111 -3.094 -11.006 150 HG13 VAL 21 HG13 VAL 21 -5.452 -1.568 -11.590 151 HG21 VAL 21 HG21 VAL 21 -9.152 -2.631 -10.485 152 HG22 VAL 21 HG22 VAL 21 -8.511 -1.885 -9.018 153 HG23 VAL 21 HG23 VAL 21 -7.679 -3.259 -9.747 154 H ALA 22 HN ALA 22 -7.291 1.516 -11.618 155 HA ALA 22 HA ALA 22 -4.738 1.648 -12.858 156 HB1 ALA 22 HB1 ALA 22 -6.390 3.986 -13.305 157 HB2 ALA 22 HB2 ALA 22 -7.288 2.482 -13.517 158 HB3 ALA 22 HB3 ALA 22 -5.816 2.769 -14.446 159 H ALA 23 HN ALA 23 -5.704 2.819 -9.900 160 HA ALA 23 HA ALA 23 -4.277 5.322 -10.001 161 HB1 ALA 23 HB1 ALA 23 -5.178 4.069 -7.447 162 HB2 ALA 23 HB2 ALA 23 -6.370 4.712 -8.577 163 HB3 ALA 23 HB3 ALA 23 -5.127 5.771 -7.907 164 H CYS 24 HN CYS 24 -3.439 2.072 -9.478 165 HA CYS 24 HA CYS 24 -0.765 2.874 -8.654 166 HB2 CYS 24 HB2 CYS 24 -2.655 1.524 -6.874 167 HB3 CYS 24 HB1 CYS 24 -1.094 0.715 -7.008 168 H GLY 25 HN GLY 25 -1.627 1.877 -11.115 169 HA2 GLY 25 HA2 GLY 25 -0.757 0.402 -12.668 170 HA3 GLY 25 HA1 GLY 25 0.157 -0.355 -11.373 171 H GLY 26 HN GLY 26 -1.785 -1.219 -9.684 172 HA2 GLY 26 HA2 GLY 26 -3.907 -2.572 -11.022 173 HA3 GLY 26 HA1 GLY 26 -2.556 -3.656 -10.701 174 H ILE 27 HN ILE 27 -4.744 -4.411 -9.520 175 HA ILE 27 HA ILE 27 -5.603 -3.322 -7.146 176 HB ILE 27 HB ILE 27 -5.929 -5.815 -6.451 177 HG12 ILE 27 HG12 ILE 27 -6.042 -6.869 -9.033 178 HG13 ILE 27 HG11 ILE 27 -4.482 -6.056 -8.956 179 HG21 ILE 27 HG21 ILE 27 -7.321 -5.020 -8.978 180 HG22 ILE 27 HG22 ILE 27 -7.593 -4.143 -7.469 181 HG23 ILE 27 HG23 ILE 27 -7.965 -5.867 -7.572 182 HD11 ILE 27 HD11 ILE 27 -4.397 -8.437 -8.327 183 HD12 ILE 27 HD12 ILE 27 -5.446 -8.078 -6.950 184 HD13 ILE 27 HD13 ILE 27 -3.838 -7.349 -7.053 185 H ASP 28 HN ASP 28 -4.474 -2.628 -5.538 186 HA ASP 28 HA ASP 28 -2.292 -4.285 -4.461 187 HB2 ASP 28 HB2 ASP 28 -1.539 -2.119 -5.528 188 HB3 ASP 28 HB1 ASP 28 -2.492 -1.262 -4.324 189 H LEU 29 HN LEU 29 -2.758 -1.604 -2.616 190 HA LEU 29 HA LEU 29 -5.093 -1.862 -1.235 191 HB2 LEU 29 HB2 LEU 29 -4.335 -4.179 -0.724 192 HB3 LEU 29 HB1 LEU 29 -2.987 -3.499 0.174 193 HG LEU 29 HG LEU 29 -4.449 -2.548 1.813 194 HD11 LEU 29 HD11 LEU 29 -7.007 -3.436 1.223 195 HD12 LEU 29 HD12 LEU 29 -6.401 -2.813 -0.313 196 HD13 LEU 29 HD13 LEU 29 -6.424 -1.770 1.114 197 HD21 LEU 29 HD21 LEU 29 -4.544 -5.368 1.132 198 HD22 LEU 29 HD22 LEU 29 -5.957 -4.853 2.052 199 HD23 LEU 29 HD23 LEU 29 -4.339 -4.591 2.702 200 HA PRO 30 HA PRO 30 -1.825 0.255 1.810 201 HB2 PRO 30 HB2 PRO 30 0.396 0.480 -0.160 202 HB3 PRO 30 HB1 PRO 30 0.460 0.262 1.593 203 HG2 PRO 30 HG2 PRO 30 0.952 -1.775 -0.051 204 HG3 PRO 30 HG1 PRO 30 0.057 -2.017 1.461 205 HD2 PRO 30 HD2 PRO 30 -0.941 -1.925 -1.346 206 HD3 PRO 30 HD1 PRO 30 -1.515 -2.889 0.029 207 H CYS 31 HN CYS 31 -1.304 0.955 -1.652 208 HA CYS 31 HA CYS 31 -1.735 3.769 -1.109 209 HB2 CYS 31 HB2 CYS 31 -1.082 4.093 -3.476 210 HB3 CYS 31 HB1 CYS 31 0.136 3.235 -2.540 211 H VAL 32 HN VAL 32 -3.261 1.090 -2.778 212 HA VAL 32 HA VAL 32 -5.225 2.532 -4.164 213 HB VAL 32 HB VAL 32 -5.232 -0.336 -3.199 214 HG11 VAL 32 HG11 VAL 32 -6.680 0.278 -5.630 215 HG12 VAL 32 HG12 VAL 32 -7.351 1.077 -4.211 216 HG13 VAL 32 HG13 VAL 32 -7.173 -0.675 -4.233 217 HG21 VAL 32 HG21 VAL 32 -4.797 -0.395 -5.875 218 HG22 VAL 32 HG22 VAL 32 -3.526 -0.461 -4.655 219 HG23 VAL 32 HG23 VAL 32 -3.935 1.073 -5.421 220 H LEU 33 HN LEU 33 -4.873 1.766 -0.851 221 HA LEU 33 HA LEU 33 -7.510 1.609 0.060 222 HB2 LEU 33 HB2 LEU 33 -5.482 1.170 1.420 223 HB3 LEU 33 HB1 LEU 33 -5.149 2.893 1.438 224 HG LEU 33 HG LEU 33 -7.416 3.187 2.566 225 HD11 LEU 33 HD11 LEU 33 -7.296 0.476 3.638 226 HD12 LEU 33 HD12 LEU 33 -7.742 0.536 1.930 227 HD13 LEU 33 HD13 LEU 33 -8.687 1.431 3.124 228 HD21 LEU 33 HD21 LEU 33 -6.406 3.138 4.593 229 HD22 LEU 33 HD22 LEU 33 -4.971 2.946 3.588 230 HD23 LEU 33 HD23 LEU 33 -5.719 1.538 4.342 231 H ALA 34 HN ALA 34 -5.646 4.313 -1.067 232 HA ALA 34 HA ALA 34 -7.037 6.432 0.145 233 HB1 ALA 34 HB1 ALA 34 -4.835 6.568 -1.047 234 HB2 ALA 34 HB2 ALA 34 -5.980 7.849 -1.444 235 HB3 ALA 34 HB3 ALA 34 -5.730 6.512 -2.566 236 H ALA 35 HN ALA 35 -7.601 4.707 -2.901 237 HA ALA 35 HA ALA 35 -9.892 6.380 -3.520 238 HB1 ALA 35 HB1 ALA 35 -9.614 5.712 -5.622 239 HB2 ALA 35 HB2 ALA 35 -9.619 4.008 -5.165 240 HB3 ALA 35 HB3 ALA 35 -8.126 4.942 -5.078 241 H LEU 36 HN LEU 36 -9.320 3.725 -1.626 242 HA LEU 36 HA LEU 36 -11.925 2.474 -1.980 243 HB2 LEU 36 HB2 LEU 36 -9.830 1.145 -1.572 244 HB3 LEU 36 HB1 LEU 36 -9.725 1.879 0.015 245 HG LEU 36 HG LEU 36 -11.928 0.828 0.575 246 HD11 LEU 36 HD11 LEU 36 -13.150 0.046 -1.121 247 HD12 LEU 36 HD12 LEU 36 -12.033 -1.325 -1.168 248 HD13 LEU 36 HD13 LEU 36 -11.773 0.072 -2.225 249 HD21 LEU 36 HD21 LEU 36 -9.429 -0.174 0.758 250 HD22 LEU 36 HD22 LEU 36 -10.218 -1.452 -0.164 251 HD23 LEU 36 HD23 LEU 36 -10.863 -0.969 1.403 252 H LYS 37 HN LYS 37 -12.615 4.838 -1.429 253 HA LYS 37 HA LYS 37 -12.473 5.682 1.274 254 HB2 LYS 37 HB2 LYS 37 -13.823 7.540 0.584 255 HB3 LYS 37 HB1 LYS 37 -12.614 7.234 -0.639 256 HG2 LYS 37 HG2 LYS 37 -15.415 6.188 -0.903 257 HG3 LYS 37 HG1 LYS 37 -14.984 7.824 -1.392 258 HD2 LYS 37 HD2 LYS 37 -13.286 6.897 -2.918 259 HD3 LYS 37 HD1 LYS 37 -13.786 5.267 -2.454 260 HE2 LYS 37 HE2 LYS 37 -14.819 5.980 -4.570 261 HE3 LYS 37 HE1 LYS 37 -16.017 5.672 -3.313 262 HZ1 LYS 37 HZ1 LYS 37 -15.008 8.414 -3.702 263 HZ2 LYS 37 HZ2 LYS 37 -16.511 7.895 -3.105 264 HZ3 LYS 37 HZ3 LYS 37 -16.180 7.801 -4.764 265 H ALA 38 HN ALA 38 -13.525 3.156 1.418 266 HA ALA 38 HA ALA 38 -16.394 3.527 1.917 267 HB1 ALA 38 HB1 ALA 38 -14.735 1.004 1.907 268 HB2 ALA 38 HB2 ALA 38 -15.793 1.562 0.608 269 HB3 ALA 38 HB3 ALA 38 -16.478 1.086 2.164 270 H ALA 39 HN ALA 39 -17.295 2.797 3.955 271 HA ALA 39 HA ALA 39 -15.377 3.062 6.182 272 HB1 ALA 39 HB1 ALA 39 -17.717 4.554 5.610 273 HB2 ALA 39 HB2 ALA 39 -16.648 4.684 7.008 274 HB3 ALA 39 HB3 ALA 39 -18.036 3.595 7.055 275 H GLU 40 HN GLU 40 -18.306 1.454 5.050 276 HA GLU 40 HA GLU 40 -18.166 -0.449 7.258 277 HB2 GLU 40 HB2 GLU 40 -20.195 -0.228 5.025 278 HB3 GLU 40 HB1 GLU 40 -20.306 -1.292 6.419 279 HG2 GLU 40 HG2 GLU 40 -20.264 1.715 6.559 280 HG3 GLU 40 HG1 GLU 40 -21.718 0.719 6.607 281 H GLY 41 HN GLY 41 -19.101 -2.762 6.092 282 HA2 GLY 41 HA2 GLY 41 -16.707 -3.759 4.874 283 HA3 GLY 41 HA1 GLY 41 -18.164 -4.676 5.209 284 H CYS 42 HN CYS 42 -17.304 -1.952 3.065 285 HA CYS 42 HA CYS 42 -18.811 -3.281 0.927 286 HB2 CYS 42 HB2 CYS 42 -17.885 -0.450 1.349 287 HB3 CYS 42 HB1 CYS 42 -18.287 -1.015 -0.264 288 H ALA 43 HN ALA 43 -15.832 -3.475 2.056 289 HA ALA 43 HA ALA 43 -14.677 -3.817 -0.633 290 HB1 ALA 43 HB1 ALA 43 -12.858 -3.224 1.635 291 HB2 ALA 43 HB2 ALA 43 -13.789 -1.888 0.955 292 HB3 ALA 43 HB3 ALA 43 -12.706 -2.824 -0.076 293 H SER 44 HN SER 44 -16.012 -5.519 1.536 294 HA SER 44 HA SER 44 -14.137 -7.296 2.618 295 HB2 SER 44 HB2 SER 44 -16.968 -7.996 1.829 296 HB3 SER 44 HB1 SER 44 -16.002 -8.692 3.133 297 HG SER 44 HG SER 44 -17.190 -7.237 4.194 298 H CYS 45 HN CYS 45 -15.676 -7.128 -0.536 299 HA CYS 45 HA CYS 45 -14.995 -9.759 -1.390 300 HB2 CYS 45 HB2 CYS 45 -15.278 -8.824 -3.699 301 HB3 CYS 45 HB1 CYS 45 -16.654 -8.559 -2.637 302 H PHE 46 HN PHE 46 -13.232 -6.812 -1.166 303 HA PHE 46 HA PHE 46 -11.038 -7.743 -2.836 304 HB2 PHE 46 HB2 PHE 46 -11.913 -5.437 -2.943 305 HB3 PHE 46 HB1 PHE 46 -11.462 -5.201 -1.267 306 HD1 PHE 46 HD2 PHE 46 -8.889 -7.091 -2.779 307 HD2 PHE 46 HD1 PHE 46 -10.548 -3.181 -2.571 308 HE1 PHE 46 HE2 PHE 46 -6.737 -6.134 -3.497 309 HE2 PHE 46 HE1 PHE 46 -8.437 -2.224 -3.296 310 HZ PHE 46 HZ PHE 46 -6.505 -3.696 -3.749 311 H CYS 47 HN CYS 47 -11.242 -6.296 0.414 312 HA CYS 47 HA CYS 47 -8.704 -7.425 1.160 313 HB2 CYS 47 HB2 CYS 47 -10.717 -5.852 2.760 314 HB3 CYS 47 HB1 CYS 47 -9.112 -6.300 3.321 315 H GLU 48 HN GLU 48 -10.439 -9.613 0.707 316 HA GLU 48 HA GLU 48 -11.622 -10.390 3.198 317 HB2 GLU 48 HB2 GLU 48 -11.421 -11.502 0.525 318 HB3 GLU 48 HB1 GLU 48 -11.086 -12.740 1.731 319 HG2 GLU 48 HG2 GLU 48 -13.486 -10.961 1.784 320 HG3 GLU 48 HG1 GLU 48 -13.460 -12.554 1.031 321 H ASP 49 HN ASP 49 -9.026 -12.012 1.409 322 HA ASP 49 HA ASP 49 -7.883 -13.121 3.815 323 HB2 ASP 49 HB2 ASP 49 -7.931 -14.245 1.520 324 HB3 ASP 49 HB1 ASP 49 -6.707 -13.085 1.019 325 H HIS 50 HN HIS 50 -7.851 -10.182 2.320 326 HA HIS 50 HA HIS 50 -5.089 -9.555 3.127 327 HB2 HIS 50 HB2 HIS 50 -6.938 -7.851 1.448 328 HB3 HIS 50 HB1 HIS 50 -5.216 -7.610 1.704 329 HD2 HIS 50 HD2 HIS 50 -7.122 -8.568 -1.160 330 HE1 HIS 50 HE1 HIS 50 -3.966 -11.410 -1.215 331 HE2 HIS 50 HE2 HIS 50 -5.767 -10.274 -2.568 332 H CYS 51 HN CYS 51 -6.114 -9.691 5.401 333 HA CYS 51 HA CYS 51 -7.060 -6.990 6.127 334 HB2 CYS 51 HB2 CYS 51 -7.704 -9.572 7.578 335 HB3 CYS 51 HB1 CYS 51 -8.207 -7.965 8.079 336 H HIS 52 HN HIS 52 -4.411 -7.304 5.895 337 HA HIS 52 HA HIS 52 -3.337 -7.988 8.519 338 HB2 HIS 52 HB2 HIS 52 -1.857 -7.182 6.008 339 HB3 HIS 52 HB1 HIS 52 -1.131 -7.778 7.490 340 HD2 HIS 52 HD2 HIS 52 -0.364 -10.320 7.147 341 HE1 HIS 52 HE1 HIS 52 -3.350 -11.516 4.377 342 HE2 HIS 52 HE2 HIS 52 -1.187 -12.156 5.517 343 H GLY 53 HN GLY 53 -2.373 -5.488 6.221 344 HA2 GLY 53 HA2 GLY 53 -2.609 -3.505 8.402 345 HA3 GLY 53 HA1 GLY 53 -1.288 -3.494 7.237 346 H VAL 54 HN VAL 54 -2.306 -1.222 7.171 347 HA VAL 54 HA VAL 54 -3.503 0.402 6.200 348 HB VAL 54 HB VAL 54 -3.729 0.250 3.687 349 HG11 VAL 54 HG11 VAL 54 -1.693 1.148 3.604 350 HG12 VAL 54 HG12 VAL 54 -0.914 -0.326 4.184 351 HG13 VAL 54 HG13 VAL 54 -1.617 0.812 5.332 352 HG21 VAL 54 HG21 VAL 54 -1.845 -1.780 3.208 353 HG22 VAL 54 HG22 VAL 54 -3.528 -1.717 2.682 354 HG23 VAL 54 HG23 VAL 54 -3.107 -2.503 4.206 355 H CYS 55 HN CYS 55 -5.040 -2.461 4.630 356 HA CYS 55 HA CYS 55 -7.505 -1.118 4.372 357 HB2 CYS 55 HB2 CYS 55 -6.730 -3.182 3.097 358 HB3 CYS 55 HB1 CYS 55 -7.228 -4.114 4.507 359 H LYS 56 HN LYS 56 -6.456 -3.535 6.835 360 HA LYS 56 HA LYS 56 -8.975 -3.238 8.181 361 HB2 LYS 56 HB2 LYS 56 -8.275 -4.789 9.767 362 HB3 LYS 56 HB1 LYS 56 -7.493 -5.316 8.286 363 HG2 LYS 56 HG2 LYS 56 -5.391 -4.523 9.010 364 HG3 LYS 56 HG1 LYS 56 -6.110 -3.623 10.346 365 HD2 LYS 56 HD2 LYS 56 -6.142 -6.624 10.062 366 HD3 LYS 56 HD1 LYS 56 -5.022 -5.718 11.080 367 HE2 LYS 56 HE2 LYS 56 -6.998 -4.797 12.299 368 HE3 LYS 56 HE1 LYS 56 -8.024 -5.884 11.363 369 HZ1 LYS 56 HZ1 LYS 56 -6.618 -7.739 12.260 370 HZ2 LYS 56 HZ2 LYS 56 -7.577 -6.945 13.407 371 HZ3 LYS 56 HZ3 LYS 56 -5.916 -6.613 13.316 372 H ASP 57 HN ASP 57 -6.477 -1.146 7.918 373 HA ASP 57 HA ASP 57 -6.202 -0.168 10.583 374 HB2 ASP 57 HB2 ASP 57 -4.703 0.364 8.556 375 HB3 ASP 57 HB1 ASP 57 -5.962 1.489 8.058 376 H LEU 58 HN LEU 58 -8.373 0.328 7.912 377 HA LEU 58 HA LEU 58 -9.962 2.312 9.345 378 HB2 LEU 58 HB2 LEU 58 -9.445 2.440 6.849 379 HB3 LEU 58 HB1 LEU 58 -10.511 1.066 6.644 380 HG LEU 58 HG LEU 58 -11.536 3.554 7.968 381 HD11 LEU 58 HD11 LEU 58 -12.270 4.319 5.725 382 HD12 LEU 58 HD12 LEU 58 -11.237 3.086 5.008 383 HD13 LEU 58 HD13 LEU 58 -10.523 4.384 5.962 384 HD21 LEU 58 HD21 LEU 58 -13.618 2.732 7.469 385 HD22 LEU 58 HD22 LEU 58 -12.737 1.220 7.676 386 HD23 LEU 58 HD23 LEU 58 -13.051 1.846 6.058 387 H HIS 59 HN HIS 59 -9.905 -1.014 8.340 388 HA HIS 59 HA HIS 59 -10.955 -2.872 9.126 389 HB2 HIS 59 HB2 HIS 59 -11.035 -1.714 11.336 390 HB3 HIS 59 HB1 HIS 59 -12.591 -1.031 10.883 391 HD2 HIS 59 HD2 HIS 59 -12.500 -4.676 9.826 392 HE1 HIS 59 HE1 HIS 59 -14.242 -4.594 13.696 393 HE2 HIS 59 HE2 HIS 59 -13.918 -5.942 11.584 394 H LEU 60 HN LEU 60 -11.838 -3.165 7.009 395 HA LEU 60 HA LEU 60 -14.688 -2.806 6.976 396 HB2 LEU 60 HB2 LEU 60 -14.566 -2.144 4.591 397 HB3 LEU 60 HB1 LEU 60 -14.098 -0.926 5.740 398 HG LEU 60 HG LEU 60 -12.141 -2.571 4.113 399 HD11 LEU 60 HD11 LEU 60 -12.122 0.086 3.279 400 HD12 LEU 60 HD12 LEU 60 -13.826 -0.349 3.375 401 HD13 LEU 60 HD13 LEU 60 -12.728 -1.301 2.376 402 HD21 LEU 60 HD21 LEU 60 -10.505 -1.004 4.794 403 HD22 LEU 60 HD22 LEU 60 -11.354 -1.498 6.259 404 HD23 LEU 60 HD23 LEU 60 -11.716 0.060 5.513 405 H CYS 61 HN CYS 61 -12.864 -5.160 7.290 406 HA CYS 61 HA CYS 61 -14.083 -6.746 5.138 407 HB2 CYS 61 HB2 CYS 61 -12.156 -8.373 5.348 408 HB3 CYS 61 HB1 CYS 61 -11.804 -6.902 4.479 409 H1 ALA 62 HT1 ALA 62 33.001 4.388 11.441 410 H2 ALA 62 HT2 ALA 62 34.106 3.127 11.813 411 H3 ALA 62 HT3 ALA 62 33.548 4.183 13.051 412 HA ALA 62 HA ALA 62 32.133 2.061 11.626 413 HB1 ALA 62 HB1 ALA 62 33.244 1.390 13.643 414 HB2 ALA 62 HB2 ALA 62 31.508 1.444 13.955 415 HB3 ALA 62 HB3 ALA 62 32.550 2.747 14.531 416 H MET 63 HN MET 63 31.266 4.407 10.706 417 HA MET 63 HA MET 63 29.168 5.548 12.300 418 HB2 MET 63 HB2 MET 63 30.499 6.704 10.444 419 HB3 MET 63 HB1 MET 63 29.513 5.793 9.310 420 HG2 MET 63 HG2 MET 63 27.498 6.837 10.241 421 HG3 MET 63 HG1 MET 63 28.508 7.774 11.341 422 HE1 MET 63 HE1 MET 63 31.026 8.487 8.809 423 HE2 MET 63 HE2 MET 63 30.590 8.993 10.439 424 HE3 MET 63 HE3 MET 63 30.460 10.132 9.101 425 H GLY 64 HN GLY 64 26.968 5.087 12.217 426 HA2 GLY 64 HA2 GLY 64 26.201 2.936 10.349 427 HA3 GLY 64 HA1 GLY 64 25.803 2.824 12.053 428 H LYS 65 HN LYS 65 24.601 3.499 9.119 429 HA LYS 65 HA LYS 65 22.452 5.205 10.209 430 HB2 LYS 65 HB2 LYS 65 23.701 6.435 8.500 431 HB3 LYS 65 HB1 LYS 65 23.513 5.102 7.371 432 HG2 LYS 65 HG2 LYS 65 21.089 5.444 7.369 433 HG3 LYS 65 HG1 LYS 65 21.281 6.802 8.478 434 HD2 LYS 65 HD2 LYS 65 22.604 7.982 6.803 435 HD3 LYS 65 HD1 LYS 65 22.451 6.608 5.706 436 HE2 LYS 65 HE2 LYS 65 20.463 7.290 4.995 437 HE3 LYS 65 HE1 LYS 65 19.853 7.430 6.643 438 HZ1 LYS 65 HZ1 LYS 65 21.129 9.480 4.952 439 HZ2 LYS 65 HZ2 LYS 65 21.169 9.626 6.646 440 HZ3 LYS 65 HZ3 LYS 65 19.680 9.561 5.832 441 H CYS 66 HN CYS 66 23.465 2.475 8.391 442 HA CYS 66 HA CYS 66 20.940 1.125 8.714 443 HB2 CYS 66 HB2 CYS 66 20.642 2.423 6.609 444 HB3 CYS 66 HB1 CYS 66 22.071 1.642 5.949 445 H SER 67 HN SER 67 23.181 0.554 9.976 446 HA SER 67 HA SER 67 25.165 -0.957 8.783 447 HB2 SER 67 HB2 SER 67 23.997 -1.346 11.550 448 HB3 SER 67 HB1 SER 67 25.596 -1.863 11.013 449 HG SER 67 HG SER 67 25.198 0.324 12.171 450 H VAL 68 HN VAL 68 25.467 -3.074 8.318 451 HA VAL 68 HA VAL 68 24.841 -5.011 7.310 452 HB VAL 68 HB VAL 68 23.912 -6.704 8.888 453 HG11 VAL 68 HG11 VAL 68 25.940 -5.583 10.602 454 HG12 VAL 68 HG12 VAL 68 26.379 -5.401 8.906 455 HG13 VAL 68 HG13 VAL 68 26.014 -6.998 9.552 456 HG21 VAL 68 HG21 VAL 68 23.957 -5.820 11.358 457 HG22 VAL 68 HG22 VAL 68 22.487 -5.699 10.394 458 HG23 VAL 68 HG23 VAL 68 23.523 -4.290 10.598 459 H LEU 69 HN LEU 69 23.214 -3.203 6.337 460 HA LEU 69 HA LEU 69 20.513 -3.274 6.583 461 HB2 LEU 69 HB2 LEU 69 20.554 -2.888 4.009 462 HB3 LEU 69 HB1 LEU 69 21.257 -1.705 5.097 463 HG LEU 69 HG LEU 69 23.304 -3.562 4.371 464 HD11 LEU 69 HD11 LEU 69 21.456 -3.567 2.376 465 HD12 LEU 69 HD12 LEU 69 23.184 -3.854 2.160 466 HD13 LEU 69 HD13 LEU 69 22.516 -2.245 1.881 467 HD21 LEU 69 HD21 LEU 69 24.408 -1.576 3.570 468 HD22 LEU 69 HD22 LEU 69 23.563 -1.199 5.070 469 HD23 LEU 69 HD23 LEU 69 22.880 -0.698 3.525 470 H LYS 70 HN LYS 70 22.011 -5.117 3.925 471 HA LYS 70 HA LYS 70 19.760 -6.959 3.985 472 HB2 LYS 70 HB2 LYS 70 22.045 -6.539 2.051 473 HB3 LYS 70 HB1 LYS 70 20.846 -7.804 1.874 474 HG2 LYS 70 HG2 LYS 70 19.204 -6.358 1.226 475 HG3 LYS 70 HG1 LYS 70 19.870 -5.015 2.159 476 HD2 LYS 70 HD2 LYS 70 20.109 -4.625 -0.242 477 HD3 LYS 70 HD1 LYS 70 21.683 -4.777 0.539 478 HE2 LYS 70 HE2 LYS 70 21.900 -6.034 -1.406 479 HE3 LYS 70 HE1 LYS 70 21.577 -7.240 -0.165 480 HZ1 LYS 70 HZ1 LYS 70 20.310 -7.567 -2.241 481 HZ2 LYS 70 HZ2 LYS 70 19.502 -6.101 -1.959 482 HZ3 LYS 70 HZ3 LYS 70 19.307 -7.398 -0.876 483 H LYS 71 HN LYS 71 21.856 -6.930 6.065 484 HA LYS 71 HA LYS 71 22.965 -9.607 5.628 485 HB2 LYS 71 HB2 LYS 71 24.378 -7.340 6.037 486 HB3 LYS 71 HB1 LYS 71 24.162 -7.860 7.698 487 HG2 LYS 71 HG2 LYS 71 25.287 -9.662 5.582 488 HG3 LYS 71 HG1 LYS 71 26.289 -8.574 6.540 489 HD2 LYS 71 HD2 LYS 71 25.365 -9.686 8.593 490 HD3 LYS 71 HD1 LYS 71 24.582 -10.858 7.529 491 HE2 LYS 71 HE2 LYS 71 26.718 -11.694 8.404 492 HE3 LYS 71 HE1 LYS 71 26.731 -11.545 6.646 493 HZ1 LYS 71 HZ1 LYS 71 27.929 -9.618 8.570 494 HZ2 LYS 71 HZ2 LYS 71 27.921 -9.442 6.882 495 HZ3 LYS 71 HZ3 LYS 71 28.782 -10.712 7.594 496 H VAL 72 HN VAL 72 22.315 -7.542 8.461 497 HA VAL 72 HA VAL 72 21.078 -9.903 9.719 498 HB VAL 72 HB VAL 72 22.377 -7.593 11.177 499 HG11 VAL 72 HG11 VAL 72 21.768 -10.351 12.202 500 HG12 VAL 72 HG12 VAL 72 20.625 -9.011 12.323 501 HG13 VAL 72 HG13 VAL 72 22.195 -8.908 13.121 502 HG21 VAL 72 HG21 VAL 72 23.947 -9.854 11.562 503 HG22 VAL 72 HG22 VAL 72 24.355 -8.444 10.584 504 HG23 VAL 72 HG23 VAL 72 23.602 -9.850 9.835 505 H ALA 73 HN ALA 73 20.721 -6.559 8.879 506 HA ALA 73 HA ALA 73 18.661 -5.825 10.629 507 HB1 ALA 73 HB1 ALA 73 19.482 -3.991 9.580 508 HB2 ALA 73 HB2 ALA 73 18.062 -4.275 8.571 509 HB3 ALA 73 HB3 ALA 73 19.653 -4.812 8.026 510 H CYS 74 HN CYS 74 18.526 -7.596 7.536 511 HA CYS 74 HA CYS 74 15.608 -7.501 7.689 512 HB2 CYS 74 HB2 CYS 74 15.663 -8.831 5.570 513 HB3 CYS 74 HB1 CYS 74 16.409 -7.241 5.474 514 H ALA 75 HN ALA 75 17.816 -9.211 9.260 515 HA ALA 75 HA ALA 75 16.182 -11.641 9.256 516 HB1 ALA 75 HB1 ALA 75 18.631 -11.814 8.522 517 HB2 ALA 75 HB2 ALA 75 18.057 -12.953 9.743 518 HB3 ALA 75 HB3 ALA 75 19.019 -11.554 10.225 519 H ALA 76 HN ALA 76 16.253 -8.960 10.831 520 HA ALA 76 HA ALA 76 15.976 -10.227 13.474 521 HB1 ALA 76 HB1 ALA 76 16.893 -7.389 13.244 522 HB2 ALA 76 HB2 ALA 76 18.053 -8.711 13.082 523 HB3 ALA 76 HB3 ALA 76 17.111 -8.540 14.566 524 H ALA 77 HN ALA 77 15.413 -6.920 12.316 525 HA ALA 77 HA ALA 77 13.015 -6.572 13.722 526 HB1 ALA 77 HB1 ALA 77 14.642 -5.048 11.910 527 HB2 ALA 77 HB2 ALA 77 13.528 -4.485 13.155 528 HB3 ALA 77 HB3 ALA 77 12.934 -4.829 11.532 529 H ILE 78 HN ILE 78 13.607 -7.589 10.397 530 HA ILE 78 HA ILE 78 10.864 -7.571 9.622 531 HB ILE 78 HB ILE 78 13.430 -8.498 8.384 532 HG12 ILE 78 HG12 ILE 78 11.244 -6.822 7.183 533 HG13 ILE 78 HG11 ILE 78 12.356 -6.131 8.378 534 HG21 ILE 78 HG21 ILE 78 10.810 -9.639 7.810 535 HG22 ILE 78 HG22 ILE 78 12.413 -10.172 7.305 536 HG23 ILE 78 HG23 ILE 78 11.580 -8.910 6.397 537 HD11 ILE 78 HD11 ILE 78 13.060 -5.672 6.080 538 HD12 ILE 78 HD12 ILE 78 13.177 -7.405 5.779 539 HD13 ILE 78 HD13 ILE 78 14.248 -6.641 6.950 540 H ALA 79 HN ALA 79 13.137 -10.015 10.694 541 HA ALA 79 HA ALA 79 11.557 -12.276 10.289 542 HB1 ALA 79 HB1 ALA 79 13.052 -12.973 12.450 543 HB2 ALA 79 HB2 ALA 79 13.982 -11.628 11.786 544 HB3 ALA 79 HB3 ALA 79 13.605 -13.026 10.775 545 H GLY 80 HN GLY 80 11.590 -9.957 12.920 546 HA2 GLY 80 HA2 GLY 80 9.833 -11.596 14.562 547 HA3 GLY 80 HA1 GLY 80 10.464 -10.007 14.967 548 H ALA 81 HN ALA 81 9.608 -8.720 12.546 549 HA ALA 81 HA ALA 81 6.975 -8.036 13.367 550 HB1 ALA 81 HB1 ALA 81 7.154 -6.726 11.068 551 HB2 ALA 81 HB2 ALA 81 8.863 -7.078 11.314 552 HB3 ALA 81 HB3 ALA 81 7.963 -6.191 12.543 553 H VAL 82 HN VAL 82 8.243 -10.153 10.962 554 HA VAL 82 HA VAL 82 5.991 -10.337 9.276 555 HB VAL 82 HB VAL 82 8.451 -12.007 9.743 556 HG11 VAL 82 HG11 VAL 82 7.606 -13.886 8.941 557 HG12 VAL 82 HG12 VAL 82 6.965 -13.037 7.532 558 HG13 VAL 82 HG13 VAL 82 6.001 -13.154 9.007 559 HG21 VAL 82 HG21 VAL 82 7.295 -10.462 7.448 560 HG22 VAL 82 HG22 VAL 82 8.604 -11.624 7.232 561 HG23 VAL 82 HG23 VAL 82 8.835 -10.221 8.280 562 H ALA 83 HN ALA 83 7.141 -12.384 11.965 563 HA ALA 83 HA ALA 83 4.927 -14.150 11.924 564 HB1 ALA 83 HB1 ALA 83 5.758 -15.056 13.939 565 HB2 ALA 83 HB2 ALA 83 6.642 -13.580 14.329 566 HB3 ALA 83 HB3 ALA 83 7.163 -14.595 12.984 567 H ALA 84 HN ALA 84 5.425 -11.032 13.314 568 HA ALA 84 HA ALA 84 3.386 -11.100 15.277 569 HB1 ALA 84 HB1 ALA 84 5.333 -9.260 14.393 570 HB2 ALA 84 HB2 ALA 84 4.313 -9.163 15.828 571 HB3 ALA 84 HB3 ALA 84 3.769 -8.446 14.312 572 H CYS 85 HN CYS 85 3.303 -10.589 11.808 573 HA CYS 85 HA CYS 85 0.645 -9.409 11.970 574 HB2 CYS 85 HB2 CYS 85 2.578 -8.948 10.201 575 HB3 CYS 85 HB1 CYS 85 1.779 -10.273 9.362 576 H GLY 86 HN GLY 86 2.081 -12.507 11.549 577 HA2 GLY 86 HA2 GLY 86 0.800 -14.479 11.879 578 HA3 GLY 86 HA1 GLY 86 -0.611 -13.628 11.279 579 H GLY 87 HN GLY 87 2.619 -13.985 9.809 580 HA2 GLY 87 HA2 GLY 87 2.956 -15.727 8.120 581 HA3 GLY 87 HA1 GLY 87 1.286 -15.489 7.643 582 H ILE 88 HN ILE 88 4.021 -13.300 8.177 583 HA ILE 88 HA ILE 88 4.934 -11.616 6.988 584 HB ILE 88 HB ILE 88 5.795 -12.089 4.915 585 HG12 ILE 88 HG12 ILE 88 4.231 -14.114 3.700 586 HG13 ILE 88 HG11 ILE 88 3.115 -12.857 4.233 587 HG21 ILE 88 HG21 ILE 88 5.168 -14.929 5.235 588 HG22 ILE 88 HG22 ILE 88 5.788 -14.140 6.686 589 HG23 ILE 88 HG23 ILE 88 6.726 -14.105 5.190 590 HD11 ILE 88 HD11 ILE 88 5.017 -12.850 2.040 591 HD12 ILE 88 HD12 ILE 88 5.158 -11.425 3.074 592 HD13 ILE 88 HD13 ILE 88 3.605 -11.829 2.332 593 H ASP 89 HN ASP 89 4.703 -10.160 5.024 594 HA ASP 89 HA ASP 89 2.392 -9.517 3.713 595 HB2 ASP 89 HB2 ASP 89 1.454 -9.279 6.077 596 HB3 ASP 89 HB1 ASP 89 2.535 -7.904 6.276 597 H LEU 90 HN LEU 90 2.942 -6.698 5.113 598 HA LEU 90 HA LEU 90 5.454 -5.780 4.657 599 HB2 LEU 90 HB2 LEU 90 5.283 -6.392 2.312 600 HB3 LEU 90 HB1 LEU 90 3.798 -5.469 2.147 601 HG LEU 90 HG LEU 90 4.969 -3.389 2.422 602 HD11 LEU 90 HD11 LEU 90 7.159 -5.146 3.391 603 HD12 LEU 90 HD12 LEU 90 6.615 -3.571 3.988 604 HD13 LEU 90 HD13 LEU 90 7.598 -3.669 2.521 605 HD21 LEU 90 HD21 LEU 90 5.101 -3.920 0.199 606 HD22 LEU 90 HD22 LEU 90 6.101 -5.344 0.480 607 HD23 LEU 90 HD23 LEU 90 6.809 -3.732 0.597 608 HA PRO 91 HA PRO 91 2.324 -1.984 4.490 609 HB2 PRO 91 HB2 PRO 91 -0.178 -3.508 5.031 610 HB3 PRO 91 HB1 PRO 91 0.068 -2.060 4.047 611 HG2 PRO 91 HG2 PRO 91 -0.304 -4.427 2.895 612 HG3 PRO 91 HG1 PRO 91 0.863 -3.268 2.228 613 HD2 PRO 91 HD2 PRO 91 1.347 -5.735 3.835 614 HD3 PRO 91 HD1 PRO 91 2.282 -5.066 2.482 615 H CYS 92 HN CYS 92 1.395 -4.812 6.445 616 HA CYS 92 HA CYS 92 1.035 -3.214 8.804 617 HB2 CYS 92 HB2 CYS 92 0.547 -5.306 9.930 618 HB3 CYS 92 HB1 CYS 92 -0.271 -5.301 8.371 619 H VAL 93 HN VAL 93 3.506 -5.306 7.474 620 HA VAL 93 HA VAL 93 5.124 -5.463 9.774 621 HB VAL 93 HB VAL 93 6.050 -5.784 6.922 622 HG11 VAL 93 HG11 VAL 93 7.626 -5.861 8.928 623 HG12 VAL 93 HG12 VAL 93 7.690 -7.192 7.776 624 HG13 VAL 93 HG13 VAL 93 6.848 -7.393 9.311 625 HG21 VAL 93 HG21 VAL 93 5.426 -8.229 7.306 626 HG22 VAL 93 HG22 VAL 93 4.110 -7.111 6.946 627 HG23 VAL 93 HG23 VAL 93 4.395 -7.638 8.605 628 H LEU 94 HN LEU 94 4.772 -3.107 7.245 629 HA LEU 94 HA LEU 94 7.278 -1.879 7.321 630 HB2 LEU 94 HB2 LEU 94 5.494 -1.433 5.637 631 HB3 LEU 94 HB1 LEU 94 4.629 -0.507 6.850 632 HG LEU 94 HG LEU 94 6.630 1.006 7.010 633 HD11 LEU 94 HD11 LEU 94 7.583 0.170 4.366 634 HD12 LEU 94 HD12 LEU 94 7.948 -0.948 5.681 635 HD13 LEU 94 HD13 LEU 94 8.479 0.732 5.778 636 HD21 LEU 94 HD21 LEU 94 6.175 1.708 4.409 637 HD22 LEU 94 HD22 LEU 94 5.172 2.173 5.783 638 HD23 LEU 94 HD23 LEU 94 4.736 0.772 4.804 639 H ALA 95 HN ALA 95 4.563 -1.698 9.502 640 HA ALA 95 HA ALA 95 5.142 0.709 10.828 641 HB1 ALA 95 HB1 ALA 95 3.808 -0.244 12.696 642 HB2 ALA 95 HB2 ALA 95 3.767 -1.779 11.828 643 HB3 ALA 95 HB3 ALA 95 3.007 -0.348 11.128 644 H ALA 96 HN ALA 96 6.362 -2.559 11.297 645 HA ALA 96 HA ALA 96 8.022 -1.643 13.537 646 HB1 ALA 96 HB1 ALA 96 7.155 -4.340 12.574 647 HB2 ALA 96 HB2 ALA 96 7.027 -3.631 14.185 648 HB3 ALA 96 HB3 ALA 96 8.593 -4.179 13.584 649 H LEU 97 HN LEU 97 8.223 -1.404 10.427 650 HA LEU 97 HA LEU 97 11.006 -2.301 10.139 651 HB2 LEU 97 HB2 LEU 97 9.221 -3.094 8.506 652 HB3 LEU 97 HB1 LEU 97 9.089 -1.428 7.977 653 HG LEU 97 HG LEU 97 11.414 -1.460 7.219 654 HD11 LEU 97 HD11 LEU 97 12.615 -2.946 8.500 655 HD12 LEU 97 HD12 LEU 97 12.395 -3.874 7.015 656 HD13 LEU 97 HD13 LEU 97 11.371 -4.196 8.419 657 HD21 LEU 97 HD21 LEU 97 9.364 -3.331 6.185 658 HD22 LEU 97 HD22 LEU 97 10.985 -3.444 5.500 659 HD23 LEU 97 HD23 LEU 97 10.103 -1.921 5.431 660 H LYS 98 HN LYS 98 11.314 -0.374 11.595 661 HA LYS 98 HA LYS 98 10.953 2.264 10.535 662 HB2 LYS 98 HB2 LYS 98 12.721 1.409 12.826 663 HB3 LYS 98 HB1 LYS 98 12.085 3.020 12.527 664 HG2 LYS 98 HG2 LYS 98 9.854 2.300 13.012 665 HG3 LYS 98 HG1 LYS 98 10.372 0.618 13.124 666 HD2 LYS 98 HD2 LYS 98 11.478 2.759 14.935 667 HD3 LYS 98 HD1 LYS 98 9.992 1.884 15.313 668 HE2 LYS 98 HE2 LYS 98 11.711 0.746 16.461 669 HE3 LYS 98 HE1 LYS 98 11.336 -0.248 15.057 670 HZ1 LYS 98 HZ1 LYS 98 13.808 0.535 15.806 671 HZ2 LYS 98 HZ2 LYS 98 13.444 1.664 14.603 672 HZ3 LYS 98 HZ3 LYS 98 13.389 0.006 14.249 673 H ALA 99 HN ALA 99 12.621 0.470 8.871 674 HA ALA 99 HA ALA 99 15.116 2.039 8.936 675 HB1 ALA 99 HB1 ALA 99 15.307 -0.442 7.448 676 HB2 ALA 99 HB2 ALA 99 14.848 -0.714 9.131 677 HB3 ALA 99 HB3 ALA 99 16.324 0.174 8.748 678 H ALA 100 HN ALA 100 14.264 3.650 7.584 679 HA ALA 100 HA ALA 100 13.174 2.996 4.995 680 HB1 ALA 100 HB1 ALA 100 13.906 5.612 6.294 681 HB2 ALA 100 HB2 ALA 100 12.298 4.934 6.037 682 HB3 ALA 100 HB3 ALA 100 13.256 5.486 4.663 683 H GLU 101 HN GLU 101 15.573 1.781 5.116 684 HA GLU 101 HA GLU 101 17.106 3.190 3.057 685 HB2 GLU 101 HB2 GLU 101 18.244 2.110 5.644 686 HB3 GLU 101 HB1 GLU 101 19.238 2.396 4.227 687 HG2 GLU 101 HG2 GLU 101 17.596 4.539 5.544 688 HG3 GLU 101 HG1 GLU 101 19.273 4.196 5.970 689 H GLY 102 HN GLY 102 19.233 1.217 3.139 690 HA2 GLY 102 HA2 GLY 102 18.024 -0.833 1.552 691 HA3 GLY 102 HA1 GLY 102 19.711 -0.760 2.043 692 H CYS 103 HN CYS 103 18.090 -0.435 4.817 693 HA CYS 103 HA CYS 103 18.603 -3.121 5.660 694 HB2 CYS 103 HB2 CYS 103 17.273 -0.796 7.077 695 HB3 CYS 103 HB1 CYS 103 17.668 -2.326 7.841 696 H ALA 104 HN ALA 104 15.996 -1.518 4.201 697 HA ALA 104 HA ALA 104 14.076 -3.550 5.124 698 HB1 ALA 104 HB1 ALA 104 12.355 -2.049 4.841 699 HB2 ALA 104 HB2 ALA 104 13.242 -1.094 3.652 700 HB3 ALA 104 HB3 ALA 104 13.666 -0.987 5.361 701 H SER 105 HN SER 105 15.712 -2.264 2.338 702 HA SER 105 HA SER 105 14.029 -3.207 0.306 703 HB2 SER 105 HB2 SER 105 16.129 -3.158 -1.106 704 HB3 SER 105 HB1 SER 105 15.740 -1.652 -0.271 705 HG SER 105 HG SER 105 18.012 -2.609 -0.186 706 H CYS 106 HN CYS 106 16.255 -4.860 2.359 707 HA CYS 106 HA CYS 106 16.770 -7.189 0.867 708 HB2 CYS 106 HB2 CYS 106 17.921 -6.486 2.975 709 HB3 CYS 106 HB1 CYS 106 16.469 -6.913 3.871 710 H PHE 107 HN PHE 107 13.936 -6.031 2.356 711 HA PHE 107 HA PHE 107 12.610 -8.642 2.349 712 HB2 PHE 107 HB2 PHE 107 12.547 -7.370 4.405 713 HB3 PHE 107 HB1 PHE 107 11.923 -5.967 3.561 714 HD1 PHE 107 HD2 PHE 107 10.179 -8.723 2.225 715 HD2 PHE 107 HD1 PHE 107 10.540 -6.331 5.722 716 HE1 PHE 107 HE2 PHE 107 7.896 -9.330 2.877 717 HE2 PHE 107 HE1 PHE 107 8.288 -6.938 6.388 718 HZ PHE 107 HZ PHE 107 6.944 -8.428 4.951 719 H CYS 108 HN CYS 108 11.639 -5.259 1.587 720 HA CYS 108 HA CYS 108 9.569 -6.127 -0.183 721 HB2 CYS 108 HB2 CYS 108 10.322 -3.399 -0.685 722 HB3 CYS 108 HB1 CYS 108 8.847 -4.023 0.017 723 H GLU 109 HN GLU 109 12.574 -6.647 -0.813 724 HA GLU 109 HA GLU 109 13.628 -5.370 -2.900 725 HB2 GLU 109 HB2 GLU 109 14.440 -7.509 -1.828 726 HB3 GLU 109 HB1 GLU 109 13.334 -8.382 -2.873 727 HG2 GLU 109 HG2 GLU 109 15.518 -8.486 -3.821 728 HG3 GLU 109 HG1 GLU 109 14.512 -7.457 -4.839 729 H ASP 110 HN ASP 110 11.626 -8.219 -3.680 730 HA ASP 110 HA ASP 110 10.891 -6.875 -6.177 731 HB2 ASP 110 HB2 ASP 110 11.887 -9.201 -6.226 732 HB3 ASP 110 HB1 ASP 110 10.410 -9.773 -5.454 733 H HIS 111 HN HIS 111 9.575 -8.254 -3.248 734 HA HIS 111 HA HIS 111 6.819 -8.076 -3.975 735 HB2 HIS 111 HB2 HIS 111 7.596 -7.813 -1.111 736 HB3 HIS 111 HB1 HIS 111 6.348 -8.809 -1.844 737 HD2 HIS 111 HD2 HIS 111 9.477 -9.364 -0.008 738 HE1 HIS 111 HE1 HIS 111 9.299 -12.601 -2.756 739 HE2 HIS 111 HE2 HIS 111 10.254 -11.776 -0.565 740 H CYS 112 HN CYS 112 6.601 -5.930 -4.845 741 HA CYS 112 HA CYS 112 6.178 -3.952 -2.778 742 HB2 CYS 112 HB2 CYS 112 8.563 -3.954 -4.398 743 HB3 CYS 112 HB1 CYS 112 7.622 -2.496 -4.694 744 H HIS 113 HN HIS 113 4.650 -2.550 -3.219 745 HA HIS 113 HA HIS 113 3.811 -1.890 -5.892 746 HB2 HIS 113 HB2 HIS 113 2.519 -4.031 -4.703 747 HB3 HIS 113 HB1 HIS 113 1.494 -2.667 -4.263 748 HD2 HIS 113 HD2 HIS 113 -0.024 -1.606 -6.333 749 HE1 HIS 113 HE1 HIS 113 1.381 -4.250 -9.340 750 HE2 HIS 113 HE2 HIS 113 -0.421 -2.615 -8.679 751 H GLY 114 HN GLY 114 3.031 -1.866 -2.472 752 HA2 GLY 114 HA2 GLY 114 2.745 1.071 -2.549 753 HA3 GLY 114 HA1 GLY 114 1.653 0.060 -1.600 754 H VAL 115 HN VAL 115 2.428 1.296 0.284 755 HA VAL 115 HA VAL 115 3.816 1.817 2.008 756 HB VAL 115 HB VAL 115 4.851 -0.364 3.065 757 HG11 VAL 115 HG11 VAL 115 2.881 -0.604 4.291 758 HG12 VAL 115 HG12 VAL 115 1.861 -0.216 2.904 759 HG13 VAL 115 HG13 VAL 115 2.795 1.055 3.690 760 HG21 VAL 115 HG21 VAL 115 3.493 -2.353 2.464 761 HG22 VAL 115 HG22 VAL 115 4.592 -1.850 1.178 762 HG23 VAL 115 HG23 VAL 115 2.873 -1.467 1.070 763 H CYS 116 HN CYS 116 5.996 -0.832 0.988 764 HA CYS 116 HA CYS 116 8.288 0.772 1.390 765 HB2 CYS 116 HB2 CYS 116 7.871 -1.840 -0.054 766 HB3 CYS 116 HB1 CYS 116 9.437 -1.036 -0.066 767 H LYS 117 HN LYS 117 6.249 0.186 -1.392 768 HA LYS 117 HA LYS 117 8.011 1.522 -3.256 769 HB2 LYS 117 HB2 LYS 117 5.296 0.323 -3.427 770 HB3 LYS 117 HB1 LYS 117 5.705 1.562 -4.605 771 HG2 LYS 117 HG2 LYS 117 7.374 -0.889 -4.102 772 HG3 LYS 117 HG1 LYS 117 6.133 -0.773 -5.351 773 HD2 LYS 117 HD2 LYS 117 8.461 1.133 -5.151 774 HD3 LYS 117 HD1 LYS 117 8.516 -0.357 -6.092 775 HE2 LYS 117 HE2 LYS 117 6.540 1.895 -6.492 776 HE3 LYS 117 HE1 LYS 117 7.978 1.618 -7.473 777 HZ1 LYS 117 HZ1 LYS 117 5.581 -0.134 -7.272 778 HZ2 LYS 117 HZ2 LYS 117 7.018 -0.604 -8.045 779 HZ3 LYS 117 HZ3 LYS 117 6.133 0.716 -8.623 780 H ASP 118 HN ASP 118 5.615 2.505 -1.002 781 HA ASP 118 HA ASP 118 4.743 4.900 -2.214 782 HB2 ASP 118 HB2 ASP 118 3.839 3.690 -0.097 783 HB3 ASP 118 HB1 ASP 118 5.078 4.598 0.764 784 H LEU 119 HN LEU 119 7.387 4.210 0.058 785 HA LEU 119 HA LEU 119 8.418 6.907 -0.141 786 HB2 LEU 119 HB2 LEU 119 8.602 5.455 1.930 787 HB3 LEU 119 HB1 LEU 119 9.772 4.482 1.059 788 HG LEU 119 HG LEU 119 10.315 7.403 1.245 789 HD11 LEU 119 HD11 LEU 119 11.500 6.754 3.487 790 HD12 LEU 119 HD12 LEU 119 10.222 5.537 3.571 791 HD13 LEU 119 HD13 LEU 119 9.807 7.251 3.475 792 HD21 LEU 119 HD21 LEU 119 12.558 5.953 1.929 793 HD22 LEU 119 HD22 LEU 119 12.176 6.581 0.325 794 HD23 LEU 119 HD23 LEU 119 11.749 4.921 0.750 795 H HIS 120 HN HIS 120 8.847 3.803 -1.577 796 HA HIS 120 HA HIS 120 9.795 3.130 -3.524 797 HB2 HIS 120 HB2 HIS 120 9.293 5.597 -4.182 798 HB3 HIS 120 HB1 HIS 120 11.023 5.832 -3.970 799 HD2 HIS 120 HD2 HIS 120 10.583 2.443 -5.546 800 HE1 HIS 120 HE1 HIS 120 10.888 5.180 -8.777 801 HE2 HIS 120 HE2 HIS 120 10.744 2.753 -8.118 802 H LEU 121 HN LEU 121 11.107 2.051 -1.720 803 HA LEU 121 HA LEU 121 13.898 2.737 -2.108 804 HB2 LEU 121 HB2 LEU 121 14.375 2.501 0.102 805 HB3 LEU 121 HB1 LEU 121 12.825 3.278 0.161 806 HG LEU 121 HG LEU 121 13.426 0.372 0.723 807 HD11 LEU 121 HD11 LEU 121 12.423 1.066 2.950 808 HD12 LEU 121 HD12 LEU 121 12.644 2.727 2.404 809 HD13 LEU 121 HD13 LEU 121 14.041 1.662 2.580 810 HD21 LEU 121 HD21 LEU 121 10.961 1.621 -0.094 811 HD22 LEU 121 HD22 LEU 121 10.830 0.959 1.536 812 HD23 LEU 121 HD23 LEU 121 11.319 -0.082 0.199 813 H CYS 122 HN CYS 122 11.777 0.568 -3.057 814 HA CYS 122 HA CYS 122 13.542 -1.751 -2.625 815 HB2 CYS 122 HB2 CYS 122 11.428 -2.973 -3.632 816 HB3 CYS 122 HB1 CYS 122 11.503 -2.594 -1.916
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