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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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652555 |
6l7z ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 0.332 0.196 17.108 2 H2 MET 1 HT2 MET 1 0.342 1.302 18.395 3 H3 MET 1 HT3 MET 1 -0.026 -0.333 18.677 4 HA MET 1 HA MET 1 2.594 0.762 17.801 5 HB2 MET 1 HB2 MET 1 1.734 0.987 20.257 6 HB3 MET 1 HB3 MET 1 2.017 -0.750 20.348 7 HG2 MET 1 HG2 MET 1 4.016 0.362 21.136 8 HG3 MET 1 HG3 MET 1 4.380 -0.328 19.557 9 HE1 MET 1 HE1 MET 1 6.514 2.828 19.399 10 HE2 MET 1 HE2 MET 1 6.426 1.070 19.361 11 HE3 MET 1 HE3 MET 1 6.171 1.921 20.881 12 H ASP 2 H ASP 2 0.658 -1.525 16.779 13 HA ASP 2 HA ASP 2 2.499 -3.803 17.099 14 HB2 ASP 2 HB2 ASP 2 0.626 -5.189 16.285 15 HB3 ASP 2 HB3 ASP 2 0.208 -4.280 17.731 16 H PHE 3 H PHE 3 1.995 -1.340 14.895 17 HA PHE 3 HA PHE 3 3.196 -2.951 12.744 18 HB2 PHE 3 HB2 PHE 3 0.919 -0.998 12.347 19 HB3 PHE 3 HB3 PHE 3 1.842 -1.748 11.048 20 HD1 PHE 3 HD1 PHE 3 -0.941 -2.135 13.283 21 HD2 PHE 3 HD2 PHE 3 1.954 -4.329 10.992 22 HE1 PHE 3 HE1 PHE 3 -2.379 -4.153 13.397 23 HE2 PHE 3 HE2 PHE 3 0.515 -6.345 11.105 24 HZ PHE 3 HZ PHE 3 -1.651 -6.258 12.306 25 H ARG 4 H ARG 4 4.778 -1.943 11.552 26 HA ARG 4 HA ARG 4 5.218 0.929 11.894 27 HB2 ARG 4 HB2 ARG 4 6.438 -0.108 13.785 28 HB3 ARG 4 HB3 ARG 4 7.329 -1.123 12.657 29 HG2 ARG 4 HG2 ARG 4 8.758 0.749 13.219 30 HG3 ARG 4 HG3 ARG 4 8.197 1.006 11.569 31 HD2 ARG 4 HD2 ARG 4 6.483 2.559 12.353 32 HD3 ARG 4 HD3 ARG 4 6.925 2.248 14.029 33 HE ARG 4 HE ARG 4 8.364 3.926 12.123 34 HH11 ARG 4 HH11 ARG 4 8.530 2.207 15.181 35 HH12 ARG 4 HH12 ARG 4 9.852 3.153 15.780 36 HH21 ARG 4 HH21 ARG 4 10.091 5.136 12.944 37 HH22 ARG 4 HH22 ARG 4 10.728 4.800 14.519 38 H VAL 5 H VAL 5 6.142 1.895 10.204 39 HA VAL 5 HA VAL 5 7.280 0.236 8.041 40 HB VAL 5 HB VAL 5 5.515 2.691 7.691 41 HG11 VAL 5 HG11 VAL 5 5.795 2.468 5.358 42 HG12 VAL 5 HG12 VAL 5 6.420 0.825 5.486 43 HG13 VAL 5 HG13 VAL 5 7.420 2.185 5.975 44 HG21 VAL 5 HG21 VAL 5 5.000 -0.279 7.391 45 HG22 VAL 5 HG22 VAL 5 4.033 0.906 6.511 46 HG23 VAL 5 HG23 VAL 5 4.048 0.914 8.273 47 H VAL 6 H VAL 6 9.234 0.949 7.263 48 HA VAL 6 HA VAL 6 10.235 3.547 8.289 49 HB VAL 6 HB VAL 6 12.500 2.538 8.334 50 HG11 VAL 6 HG11 VAL 6 12.124 1.126 10.315 51 HG12 VAL 6 HG12 VAL 6 10.412 1.013 9.912 52 HG13 VAL 6 HG13 VAL 6 11.110 2.567 10.363 53 HG21 VAL 6 HG21 VAL 6 11.107 -0.127 7.908 54 HG22 VAL 6 HG22 VAL 6 12.843 0.183 7.969 55 HG23 VAL 6 HG23 VAL 6 11.894 0.745 6.593 56 H GLY 7 H GLY 7 11.717 4.720 7.001 57 HA2 GLY 7 HA2 GLY 7 11.445 4.194 4.096 58 HA3 GLY 7 HA3 GLY 7 11.537 5.792 4.817 59 HA PRO 8 HA PRO 8 16.121 4.370 5.319 60 HB2 PRO 8 HB2 PRO 8 16.860 1.806 4.899 61 HB3 PRO 8 HB3 PRO 8 16.220 2.366 6.459 62 HG2 PRO 8 HG2 PRO 8 14.810 0.932 4.253 63 HG3 PRO 8 HG3 PRO 8 14.756 0.636 6.001 64 HD2 PRO 8 HD2 PRO 8 12.794 2.010 4.732 65 HD3 PRO 8 HD3 PRO 8 13.285 2.388 6.400 66 H ASN 9 H ASN 9 14.160 3.445 2.681 67 HA ASN 9 HA ASN 9 15.944 2.588 0.742 68 HB2 ASN 9 HB2 ASN 9 13.371 4.135 0.513 69 HB3 ASN 9 HB3 ASN 9 14.255 3.527 -0.888 70 HD21 ASN 9 HD21 ASN 9 12.060 2.643 1.646 71 HD22 ASN 9 HD22 ASN 9 12.013 0.979 1.306 72 H LEU 10 H LEU 10 17.224 3.497 -0.690 73 HA LEU 10 HA LEU 10 18.313 6.101 -0.192 74 HB2 LEU 10 HB2 LEU 10 18.900 3.981 -2.271 75 HB3 LEU 10 HB3 LEU 10 19.726 5.531 -2.257 76 HG LEU 10 HG LEU 10 20.398 5.036 0.148 77 HD11 LEU 10 HD11 LEU 10 18.900 3.356 0.874 78 HD12 LEU 10 HD12 LEU 10 20.413 2.486 0.640 79 HD13 LEU 10 HD13 LEU 10 19.140 2.388 -0.578 80 HD21 LEU 10 HD21 LEU 10 22.196 3.435 -0.541 81 HD22 LEU 10 HD22 LEU 10 21.983 4.758 -1.688 82 HD23 LEU 10 HD23 LEU 10 21.328 3.162 -2.053 83 HA PRO 11 HA PRO 11 15.965 8.649 -2.964 84 HB2 PRO 11 HB2 PRO 11 17.903 9.939 -4.484 85 HB3 PRO 11 HB3 PRO 11 17.372 10.440 -2.865 86 HG2 PRO 11 HG2 PRO 11 19.763 8.853 -3.661 87 HG3 PRO 11 HG3 PRO 11 19.601 10.117 -2.427 88 HD2 PRO 11 HD2 PRO 11 19.692 7.538 -1.721 89 HD3 PRO 11 HD3 PRO 11 18.620 8.676 -0.872 90 H ILE 12 H ILE 12 14.883 8.266 -4.880 91 HA ILE 12 HA ILE 12 16.137 6.391 -6.806 92 HB ILE 12 HB ILE 12 13.223 7.210 -6.624 93 HG12 ILE 12 HG12 ILE 12 13.882 6.044 -4.517 94 HG13 ILE 12 HG13 ILE 12 12.812 5.030 -5.471 95 HG21 ILE 12 HG21 ILE 12 13.910 6.332 -8.814 96 HG22 ILE 12 HG22 ILE 12 12.811 5.216 -8.003 97 HG23 ILE 12 HG23 ILE 12 14.542 4.878 -8.040 98 HD11 ILE 12 HD11 ILE 12 14.563 3.584 -4.699 99 HD12 ILE 12 HD12 ILE 12 15.818 4.751 -5.115 100 HD13 ILE 12 HD13 ILE 12 14.942 3.904 -6.391 101 H LEU 13 H LEU 13 16.811 7.110 -8.751 102 HA LEU 13 HA LEU 13 15.923 9.790 -9.620 103 HB2 LEU 13 HB2 LEU 13 18.553 8.406 -9.698 104 HB3 LEU 13 HB3 LEU 13 18.153 9.349 -11.130 105 HG LEU 13 HG LEU 13 17.577 11.269 -9.515 106 HD11 LEU 13 HD11 LEU 13 18.626 11.162 -7.301 107 HD12 LEU 13 HD12 LEU 13 19.190 9.524 -7.626 108 HD13 LEU 13 HD13 LEU 13 17.462 9.849 -7.479 109 HD21 LEU 13 HD21 LEU 13 20.435 10.245 -9.678 110 HD22 LEU 13 HD22 LEU 13 19.974 11.899 -9.271 111 HD23 LEU 13 HD23 LEU 13 19.623 11.255 -10.874 112 H ALA 14 H ALA 14 14.374 9.703 -11.040 113 HA ALA 14 HA ALA 14 14.709 7.979 -13.409 114 HB1 ALA 14 HB1 ALA 14 12.909 6.928 -12.316 115 HB2 ALA 14 HB2 ALA 14 12.122 8.016 -13.458 116 HB3 ALA 14 HB3 ALA 14 12.239 8.461 -11.755 117 H LYS 15 H LYS 15 14.482 9.029 -15.330 118 HA LYS 15 HA LYS 15 14.300 11.923 -15.300 119 HB2 LYS 15 HB2 LYS 15 15.003 9.819 -17.299 120 HB3 LYS 15 HB3 LYS 15 14.370 11.330 -17.944 121 HG2 LYS 15 HG2 LYS 15 16.735 11.622 -17.867 122 HG3 LYS 15 HG3 LYS 15 16.104 12.524 -16.492 123 HD2 LYS 15 HD2 LYS 15 17.943 11.301 -15.615 124 HD3 LYS 15 HD3 LYS 15 16.521 10.394 -15.105 125 HE2 LYS 15 HE2 LYS 15 16.814 8.828 -16.965 126 HE3 LYS 15 HE3 LYS 15 18.180 9.767 -17.566 127 HZ1 LYS 15 HZ1 LYS 15 19.262 9.360 -15.378 128 HZ2 LYS 15 HZ2 LYS 15 19.033 7.960 -16.315 129 HZ3 LYS 15 HZ3 LYS 15 18.005 8.287 -15.002 130 H VAL 16 H VAL 16 12.753 13.216 -16.346 131 HA VAL 16 HA VAL 16 10.081 12.434 -16.102 132 HB VAL 16 HB VAL 16 10.754 14.794 -16.146 133 HG11 VAL 16 HG11 VAL 16 12.520 14.539 -17.898 134 HG12 VAL 16 HG12 VAL 16 11.442 15.900 -18.202 135 HG13 VAL 16 HG13 VAL 16 11.251 14.403 -19.115 136 HG21 VAL 16 HG21 VAL 16 8.443 14.526 -16.650 137 HG22 VAL 16 HG22 VAL 16 8.771 13.895 -18.260 138 HG23 VAL 16 HG23 VAL 16 9.030 15.603 -17.913 139 H GLY 17 H GLY 17 8.699 11.361 -17.338 140 HA2 GLY 17 HA2 GLY 17 7.769 10.558 -19.398 141 HA3 GLY 17 HA3 GLY 17 9.350 10.745 -20.153 142 H GLU 18 H GLU 18 10.535 9.512 -17.594 143 HA GLU 18 HA GLU 18 10.160 6.689 -18.325 144 HB2 GLU 18 HB2 GLU 18 12.491 7.569 -18.333 145 HB3 GLU 18 HB3 GLU 18 12.321 7.993 -16.631 146 HG2 GLU 18 HG2 GLU 18 13.484 5.838 -16.833 147 HG3 GLU 18 HG3 GLU 18 11.912 5.600 -16.085 148 H ASP 19 H ASP 19 9.744 5.138 -16.655 149 HA ASP 19 HA ASP 19 7.959 6.136 -14.648 150 HB2 ASP 19 HB2 ASP 19 7.601 3.780 -14.079 151 HB3 ASP 19 HB3 ASP 19 7.546 4.015 -15.828 152 H ALA 20 H ALA 20 8.096 5.689 -12.364 153 HA ALA 20 HA ALA 20 10.866 5.588 -11.319 154 HB1 ALA 20 HB1 ALA 20 9.731 6.959 -9.370 155 HB2 ALA 20 HB2 ALA 20 8.588 7.406 -10.632 156 HB3 ALA 20 HB3 ALA 20 10.303 7.781 -10.819 157 H LEU 21 H LEU 21 11.009 4.812 -9.062 158 HA LEU 21 HA LEU 21 8.909 2.781 -8.525 159 HB2 LEU 21 HB2 LEU 21 11.900 2.579 -8.486 160 HB3 LEU 21 HB3 LEU 21 10.973 1.582 -7.375 161 HG LEU 21 HG LEU 21 11.476 0.355 -9.459 162 HD11 LEU 21 HD11 LEU 21 9.353 -0.582 -9.821 163 HD12 LEU 21 HD12 LEU 21 8.527 0.952 -9.549 164 HD13 LEU 21 HD13 LEU 21 9.251 0.089 -8.193 165 HD21 LEU 21 HD21 LEU 21 10.854 1.066 -11.623 166 HD22 LEU 21 HD22 LEU 21 11.402 2.561 -10.868 167 HD23 LEU 21 HD23 LEU 21 9.676 2.229 -11.012 168 H LEU 22 H LEU 22 7.738 3.536 -6.902 169 HA LEU 22 HA LEU 22 8.867 4.921 -4.593 170 HB2 LEU 22 HB2 LEU 22 6.114 3.825 -5.215 171 HB3 LEU 22 HB3 LEU 22 6.504 4.699 -3.740 172 HG LEU 22 HG LEU 22 6.935 5.877 -6.505 173 HD11 LEU 22 HD11 LEU 22 4.809 7.098 -6.115 174 HD12 LEU 22 HD12 LEU 22 4.565 6.180 -4.629 175 HD13 LEU 22 HD13 LEU 22 4.536 5.357 -6.187 176 HD21 LEU 22 HD21 LEU 22 6.608 7.111 -3.762 177 HD22 LEU 22 HD22 LEU 22 6.993 7.981 -5.248 178 HD23 LEU 22 HD23 LEU 22 8.153 6.855 -4.552 179 H THR 23 H THR 23 9.538 3.880 -2.731 180 HA THR 23 HA THR 23 8.515 1.196 -2.223 181 HB THR 23 HB THR 23 10.443 0.731 -3.626 182 HG1 THR 23 HG1 THR 23 11.068 0.219 -0.913 183 HG21 THR 23 HG21 THR 23 11.803 2.679 -3.350 184 HG22 THR 23 HG22 THR 23 12.738 1.332 -2.702 185 HG23 THR 23 HG23 THR 23 11.911 2.441 -1.607 186 H CYS 24 H CYS 24 8.608 0.445 -0.212 187 HA CYS 24 HA CYS 24 10.088 1.703 1.896 188 HB2 CYS 24 HB2 CYS 24 8.099 2.296 3.271 189 HB3 CYS 24 HB3 CYS 24 8.262 3.297 1.831 190 H GLN 25 H GLN 25 9.711 0.573 4.013 191 HA GLN 25 HA GLN 25 9.076 -2.268 3.471 192 HB2 GLN 25 HB2 GLN 25 10.975 -1.030 5.468 193 HB3 GLN 25 HB3 GLN 25 10.603 -2.752 5.379 194 HG2 GLN 25 HG2 GLN 25 11.397 -2.807 3.041 195 HG3 GLN 25 HG3 GLN 25 11.778 -1.089 3.131 196 HE21 GLN 25 HE21 GLN 25 14.072 -1.185 3.021 197 HE22 GLN 25 HE22 GLN 25 15.026 -2.006 4.159 198 H LEU 26 H LEU 26 7.427 -3.182 4.454 199 HA LEU 26 HA LEU 26 6.538 -2.163 7.066 200 HB2 LEU 26 HB2 LEU 26 4.161 -2.458 6.382 201 HB3 LEU 26 HB3 LEU 26 4.995 -1.179 5.501 202 HG LEU 26 HG LEU 26 5.475 -3.070 3.726 203 HD11 LEU 26 HD11 LEU 26 3.389 -4.328 5.499 204 HD12 LEU 26 HD12 LEU 26 4.719 -5.077 4.622 205 HD13 LEU 26 HD13 LEU 26 3.268 -4.602 3.762 206 HD21 LEU 26 HD21 LEU 26 2.718 -1.852 4.144 207 HD22 LEU 26 HD22 LEU 26 3.256 -2.583 2.634 208 HD23 LEU 26 HD23 LEU 26 4.057 -1.134 3.246 209 H LEU 27 H LEU 27 5.421 -3.715 8.390 210 HA LEU 27 HA LEU 27 6.079 -6.505 7.644 211 HB2 LEU 27 HB2 LEU 27 7.338 -5.438 9.572 212 HB3 LEU 27 HB3 LEU 27 5.813 -5.377 10.445 213 HG LEU 27 HG LEU 27 6.924 -7.968 9.311 214 HD11 LEU 27 HD11 LEU 27 7.270 -6.840 12.109 215 HD12 LEU 27 HD12 LEU 27 8.550 -6.982 10.905 216 HD13 LEU 27 HD13 LEU 27 7.798 -8.433 11.567 217 HD21 LEU 27 HD21 LEU 27 5.452 -8.806 11.340 218 HD22 LEU 27 HD22 LEU 27 4.640 -8.296 9.869 219 HD23 LEU 27 HD23 LEU 27 4.721 -7.202 11.249 220 HA PRO 28 HA PRO 28 1.438 -6.670 7.962 221 HB2 PRO 28 HB2 PRO 28 1.064 -8.939 6.545 222 HB3 PRO 28 HB3 PRO 28 1.374 -7.377 5.756 223 HG2 PRO 28 HG2 PRO 28 3.269 -9.612 6.315 224 HG3 PRO 28 HG3 PRO 28 3.070 -8.652 4.836 225 HD2 PRO 28 HD2 PRO 28 5.054 -8.143 6.621 226 HD3 PRO 28 HD3 PRO 28 4.282 -6.853 5.667 227 H LYS 29 H LYS 29 0.231 -7.726 9.518 228 HA LYS 29 HA LYS 29 1.511 -9.398 11.441 229 HB2 LYS 29 HB2 LYS 29 -0.439 -7.955 11.963 230 HB3 LYS 29 HB3 LYS 29 -1.460 -8.979 10.957 231 HG2 LYS 29 HG2 LYS 29 -0.977 -10.912 12.428 232 HG3 LYS 29 HG3 LYS 29 0.050 -9.892 13.434 233 HD2 LYS 29 HD2 LYS 29 -2.064 -9.960 14.549 234 HD3 LYS 29 HD3 LYS 29 -2.001 -8.387 13.754 235 HE2 LYS 29 HE2 LYS 29 -3.347 -9.245 11.889 236 HE3 LYS 29 HE3 LYS 29 -3.364 -10.850 12.620 237 HZ1 LYS 29 HZ1 LYS 29 -4.300 -8.561 14.200 238 HZ2 LYS 29 HZ2 LYS 29 -4.772 -10.192 14.274 239 HZ3 LYS 29 HZ3 LYS 29 -5.324 -9.198 13.010 240 H ARG 30 H ARG 30 -0.921 -10.086 8.966 241 HA ARG 30 HA ARG 30 0.127 -12.479 8.031 242 HB2 ARG 30 HB2 ARG 30 -1.458 -14.157 9.001 243 HB3 ARG 30 HB3 ARG 30 -0.350 -13.500 10.203 244 HG2 ARG 30 HG2 ARG 30 -2.105 -11.938 10.977 245 HG3 ARG 30 HG3 ARG 30 -3.215 -12.578 9.767 246 HD2 ARG 30 HD2 ARG 30 -1.922 -14.271 11.910 247 HD3 ARG 30 HD3 ARG 30 -3.530 -13.569 12.049 248 HE ARG 30 HE ARG 30 -3.486 -14.967 9.633 249 HH11 ARG 30 HH11 ARG 30 -3.134 -15.744 13.041 250 HH12 ARG 30 HH12 ARG 30 -3.756 -17.352 12.863 251 HH21 ARG 30 HH21 ARG 30 -4.291 -17.071 9.447 252 HH22 ARG 30 HH22 ARG 30 -4.406 -18.095 10.839 253 H THR 31 H THR 31 -0.788 -12.776 6.077 254 HA THR 31 HA THR 31 -2.214 -12.519 4.291 255 HB THR 31 HB THR 31 -4.486 -12.385 6.279 256 HG1 THR 31 HG1 THR 31 -3.102 -14.673 5.337 257 HG21 THR 31 HG21 THR 31 -4.242 -13.671 3.548 258 HG22 THR 31 HG22 THR 31 -4.959 -12.087 3.849 259 HG23 THR 31 HG23 THR 31 -5.707 -13.536 4.521 260 H THR 32 H THR 32 -2.308 -10.701 3.135 261 HA THR 32 HA THR 32 -2.854 -8.161 4.474 262 HB THR 32 HB THR 32 -2.088 -7.103 2.407 263 HG1 THR 32 HG1 THR 32 -1.961 -8.213 0.618 264 HG21 THR 32 HG21 THR 32 0.227 -7.826 2.501 265 HG22 THR 32 HG22 THR 32 -0.246 -9.361 3.227 266 HG23 THR 32 HG23 THR 32 -0.453 -7.860 4.128 267 H ALA 33 H ALA 33 -5.001 -10.143 3.953 268 HA ALA 33 HA ALA 33 -6.736 -9.310 1.893 269 HB1 ALA 33 HB1 ALA 33 -6.896 -11.457 3.173 270 HB2 ALA 33 HB2 ALA 33 -8.424 -10.590 3.021 271 HB3 ALA 33 HB3 ALA 33 -7.524 -10.533 4.538 272 H HIS 34 H HIS 34 -6.359 -8.297 5.263 273 HA HIS 34 HA HIS 34 -8.426 -6.223 4.896 274 HB2 HIS 34 HB2 HIS 34 -8.555 -7.949 6.810 275 HB3 HIS 34 HB3 HIS 34 -7.229 -7.043 7.542 276 HD2 HIS 34 HD2 HIS 34 -11.070 -6.720 7.012 277 HE1 HIS 34 HE1 HIS 34 -9.766 -3.153 8.850 278 HE2 HIS 34 HE2 HIS 34 -11.807 -4.494 8.154 279 H MET 35 H MET 35 -5.106 -6.495 4.715 280 HA MET 35 HA MET 35 -4.354 -4.083 6.133 281 HB2 MET 35 HB2 MET 35 -2.774 -5.784 4.182 282 HB3 MET 35 HB3 MET 35 -2.117 -4.501 5.194 283 HG2 MET 35 HG2 MET 35 -3.495 -6.992 6.254 284 HG3 MET 35 HG3 MET 35 -1.748 -6.772 6.173 285 HE1 MET 35 HE1 MET 35 -3.513 -7.293 9.096 286 HE2 MET 35 HE2 MET 35 -2.127 -6.540 9.877 287 HE3 MET 35 HE3 MET 35 -1.881 -7.549 8.456 288 H GLU 36 H GLU 36 -3.831 -2.106 5.290 289 HA GLU 36 HA GLU 36 -4.320 -1.656 2.395 290 HB2 GLU 36 HB2 GLU 36 -5.272 0.021 4.724 291 HB3 GLU 36 HB3 GLU 36 -5.326 0.542 3.040 292 HG2 GLU 36 HG2 GLU 36 -6.770 -1.345 2.467 293 HG3 GLU 36 HG3 GLU 36 -6.660 -1.964 4.109 294 H VAL 37 H VAL 37 -2.815 -0.444 1.373 295 HA VAL 37 HA VAL 37 -0.852 1.037 3.007 296 HB VAL 37 HB VAL 37 -0.241 -0.626 0.535 297 HG11 VAL 37 HG11 VAL 37 1.600 0.955 2.359 298 HG12 VAL 37 HG12 VAL 37 1.164 1.405 0.710 299 HG13 VAL 37 HG13 VAL 37 2.113 -0.052 1.006 300 HG21 VAL 37 HG21 VAL 37 0.567 -1.024 3.439 301 HG22 VAL 37 HG22 VAL 37 1.049 -2.046 2.085 302 HG23 VAL 37 HG23 VAL 37 -0.641 -1.982 2.584 303 H ARG 38 H ARG 38 -0.619 3.135 2.426 304 HA ARG 38 HA ARG 38 -1.681 3.961 -0.224 305 HB2 ARG 38 HB2 ARG 38 -1.964 5.363 2.442 306 HB3 ARG 38 HB3 ARG 38 -2.406 6.074 0.893 307 HG2 ARG 38 HG2 ARG 38 -4.083 4.419 0.495 308 HG3 ARG 38 HG3 ARG 38 -3.504 3.413 1.822 309 HD2 ARG 38 HD2 ARG 38 -5.524 4.594 2.517 310 HD3 ARG 38 HD3 ARG 38 -4.144 5.196 3.424 311 HE ARG 38 HE ARG 38 -4.525 6.808 1.118 312 HH11 ARG 38 HH11 ARG 38 -6.088 6.124 4.193 313 HH12 ARG 38 HH12 ARG 38 -6.790 7.701 4.327 314 HH21 ARG 38 HH21 ARG 38 -5.421 8.877 1.367 315 HH22 ARG 38 HH22 ARG 38 -6.414 9.246 2.736 316 H TRP 39 H TRP 39 -0.518 5.320 -1.437 317 HA TRP 39 HA TRP 39 2.036 6.364 -0.349 318 HB2 TRP 39 HB2 TRP 39 1.319 5.547 -3.188 319 HB3 TRP 39 HB3 TRP 39 2.829 6.328 -2.726 320 HD1 TRP 39 HD1 TRP 39 4.691 4.840 -1.554 321 HE1 TRP 39 HE1 TRP 39 4.896 2.321 -1.116 322 HE3 TRP 39 HE3 TRP 39 -0.097 3.346 -2.605 323 HZ2 TRP 39 HZ2 TRP 39 3.275 -0.023 -1.197 324 HZ3 TRP 39 HZ3 TRP 39 -0.727 0.953 -2.414 325 HH2 TRP 39 HH2 TRP 39 0.954 -0.731 -1.712 326 H TYR 40 H TYR 40 2.477 8.551 -0.653 327 HA TYR 40 HA TYR 40 0.342 10.166 -1.956 328 HB2 TYR 40 HB2 TYR 40 1.978 10.868 0.494 329 HB3 TYR 40 HB3 TYR 40 0.798 11.919 -0.281 330 HD1 TYR 40 HD1 TYR 40 1.300 8.972 1.827 331 HD2 TYR 40 HD2 TYR 40 -1.618 11.374 -0.211 332 HE1 TYR 40 HE1 TYR 40 -0.498 7.904 3.151 333 HE2 TYR 40 HE2 TYR 40 -3.421 10.302 1.114 334 HH TYR 40 HH TYR 40 -2.990 8.743 3.864 335 H ARG 41 H ARG 41 0.956 11.769 -3.318 336 HA ARG 41 HA ARG 41 3.814 12.027 -3.967 337 HB2 ARG 41 HB2 ARG 41 2.098 11.558 -5.776 338 HB3 ARG 41 HB3 ARG 41 1.460 13.177 -5.487 339 HG2 ARG 41 HG2 ARG 41 3.784 14.071 -5.912 340 HG3 ARG 41 HG3 ARG 41 4.251 12.443 -6.405 341 HD2 ARG 41 HD2 ARG 41 2.051 14.102 -7.676 342 HD3 ARG 41 HD3 ARG 41 3.645 13.818 -8.364 343 HE ARG 41 HE ARG 41 2.564 11.298 -7.904 344 HH11 ARG 41 HH11 ARG 41 1.724 14.110 -9.841 345 HH12 ARG 41 HH12 ARG 41 0.871 13.189 -11.034 346 HH21 ARG 41 HH21 ARG 41 1.406 10.135 -9.462 347 HH22 ARG 41 HH22 ARG 41 0.699 10.946 -10.819 348 H SER 42 H SER 42 4.346 13.294 -2.084 349 HA SER 42 HA SER 42 4.596 15.224 -0.850 350 HB2 SER 42 HB2 SER 42 4.180 16.464 -3.578 351 HB3 SER 42 HB3 SER 42 4.845 17.291 -2.177 352 HG SER 42 HG SER 42 6.663 16.213 -2.412 353 H ASP 43 H ASP 43 1.717 14.204 -1.450 354 HA ASP 43 HA ASP 43 0.347 16.541 -0.350 355 HB2 ASP 43 HB2 ASP 43 -0.567 15.001 -2.790 356 HB3 ASP 43 HB3 ASP 43 -1.617 16.077 -1.865 357 HA PRO 44 HA PRO 44 -0.558 12.639 2.075 358 HB2 PRO 44 HB2 PRO 44 -0.995 13.935 4.459 359 HB3 PRO 44 HB3 PRO 44 0.602 13.394 3.899 360 HG2 PRO 44 HG2 PRO 44 -0.632 16.107 3.732 361 HG3 PRO 44 HG3 PRO 44 1.017 15.648 4.195 362 HD2 PRO 44 HD2 PRO 44 0.506 16.593 1.742 363 HD3 PRO 44 HD3 PRO 44 1.689 15.285 1.985 364 H ASP 45 H ASP 45 -2.301 15.630 1.613 365 HA ASP 45 HA ASP 45 -4.728 15.020 2.908 366 HB2 ASP 45 HB2 ASP 45 -4.085 16.843 0.590 367 HB3 ASP 45 HB3 ASP 45 -5.692 16.727 1.292 368 H MET 46 H MET 46 -3.522 14.204 -0.315 369 HA MET 46 HA MET 46 -5.869 12.467 -0.681 370 HB2 MET 46 HB2 MET 46 -6.283 14.443 -2.041 371 HB3 MET 46 HB3 MET 46 -4.701 14.288 -2.803 372 HG2 MET 46 HG2 MET 46 -5.319 12.250 -3.895 373 HG3 MET 46 HG3 MET 46 -6.795 12.095 -2.954 374 HE1 MET 46 HE1 MET 46 -8.133 12.731 -6.525 375 HE2 MET 46 HE2 MET 46 -8.030 11.645 -5.143 376 HE3 MET 46 HE3 MET 46 -6.611 11.907 -6.151 377 HA PRO 47 HA PRO 47 -2.446 9.641 -1.709 378 HB2 PRO 47 HB2 PRO 47 -3.751 7.316 -1.794 379 HB3 PRO 47 HB3 PRO 47 -3.538 8.182 -0.255 380 HG2 PRO 47 HG2 PRO 47 -5.927 8.081 -2.040 381 HG3 PRO 47 HG3 PRO 47 -5.841 7.950 -0.274 382 HD2 PRO 47 HD2 PRO 47 -6.478 10.285 -1.602 383 HD3 PRO 47 HD3 PRO 47 -5.765 10.241 0.026 384 H VAL 48 H VAL 48 -1.570 9.007 -3.666 385 HA VAL 48 HA VAL 48 -2.954 9.567 -6.101 386 HB VAL 48 HB VAL 48 -0.321 8.137 -5.583 387 HG11 VAL 48 HG11 VAL 48 0.173 8.621 -7.986 388 HG12 VAL 48 HG12 VAL 48 -1.491 9.169 -8.192 389 HG13 VAL 48 HG13 VAL 48 -1.163 7.484 -7.792 390 HG21 VAL 48 HG21 VAL 48 -0.124 10.390 -4.864 391 HG22 VAL 48 HG22 VAL 48 -1.105 10.994 -6.199 392 HG23 VAL 48 HG23 VAL 48 0.529 10.403 -6.500 393 H ILE 49 H ILE 49 -2.011 6.560 -4.469 394 HA ILE 49 HA ILE 49 -4.223 5.092 -5.598 395 HB ILE 49 HB ILE 49 -2.390 5.146 -7.410 396 HG12 ILE 49 HG12 ILE 49 -2.641 2.700 -7.942 397 HG13 ILE 49 HG13 ILE 49 -3.398 2.459 -6.369 398 HG21 ILE 49 HG21 ILE 49 -1.023 3.276 -5.466 399 HG22 ILE 49 HG22 ILE 49 -0.432 4.848 -6.000 400 HG23 ILE 49 HG23 ILE 49 -0.547 3.512 -7.145 401 HD11 ILE 49 HD11 ILE 49 -4.979 2.821 -8.359 402 HD12 ILE 49 HD12 ILE 49 -4.419 4.492 -8.371 403 HD13 ILE 49 HD13 ILE 49 -5.257 3.853 -6.957 404 H MET 50 H MET 50 -4.550 3.043 -4.517 405 HA MET 50 HA MET 50 -2.806 2.622 -2.164 406 HB2 MET 50 HB2 MET 50 -4.785 2.225 -0.755 407 HB3 MET 50 HB3 MET 50 -4.758 3.866 -1.405 408 HG2 MET 50 HG2 MET 50 -6.332 3.187 -3.191 409 HG3 MET 50 HG3 MET 50 -6.373 1.553 -2.530 410 HE1 MET 50 HE1 MET 50 -6.572 1.942 0.732 411 HE2 MET 50 HE2 MET 50 -7.102 0.827 -0.523 412 HE3 MET 50 HE3 MET 50 -8.292 1.562 0.547 413 H TYR 51 H TYR 51 -2.755 0.590 -1.252 414 HA TYR 51 HA TYR 51 -3.567 -1.623 -3.035 415 HB2 TYR 51 HB2 TYR 51 -1.097 -1.190 -2.786 416 HB3 TYR 51 HB3 TYR 51 -1.264 -1.513 -1.069 417 HD1 TYR 51 HD1 TYR 51 -1.634 -3.021 -4.455 418 HD2 TYR 51 HD2 TYR 51 -1.400 -3.747 -0.227 419 HE1 TYR 51 HE1 TYR 51 -1.398 -5.449 -4.884 420 HE2 TYR 51 HE2 TYR 51 -1.167 -6.176 -0.658 421 HH TYR 51 HH TYR 51 -0.385 -7.447 -3.628 422 H ARG 52 H ARG 52 -5.264 -2.684 -2.170 423 HA ARG 52 HA ARG 52 -5.261 -3.260 0.718 424 HB2 ARG 52 HB2 ARG 52 -7.662 -2.775 0.856 425 HB3 ARG 52 HB3 ARG 52 -6.755 -1.349 0.360 426 HG2 ARG 52 HG2 ARG 52 -7.349 -1.789 -2.006 427 HG3 ARG 52 HG3 ARG 52 -8.267 -3.210 -1.506 428 HD2 ARG 52 HD2 ARG 52 -9.747 -1.791 -0.146 429 HD3 ARG 52 HD3 ARG 52 -8.827 -0.366 -0.619 430 HE ARG 52 HE ARG 52 -9.706 -1.697 -2.957 431 HH11 ARG 52 HH11 ARG 52 -11.050 0.149 -0.284 432 HH12 ARG 52 HH12 ARG 52 -12.399 0.728 -1.203 433 HH21 ARG 52 HH21 ARG 52 -11.480 -0.913 -4.122 434 HH22 ARG 52 HH22 ARG 52 -12.638 0.129 -3.365 435 H ASP 53 H ASP 53 -6.223 -5.140 1.363 436 HA ASP 53 HA ASP 53 -6.664 -7.378 1.192 437 HB2 ASP 53 HB2 ASP 53 -8.872 -6.252 0.577 438 HB3 ASP 53 HB3 ASP 53 -8.472 -6.590 -1.102 439 H GLY 54 H GLY 54 -4.340 -6.677 -0.092 440 HA2 GLY 54 HA2 GLY 54 -2.734 -7.659 -1.421 441 HA3 GLY 54 HA3 GLY 54 -3.880 -8.961 -1.714 442 H ALA 55 H ALA 55 -4.967 -5.757 -2.582 443 HA ALA 55 HA ALA 55 -4.083 -6.038 -5.372 444 HB1 ALA 55 HB1 ALA 55 -7.004 -5.576 -4.968 445 HB2 ALA 55 HB2 ALA 55 -6.385 -7.223 -4.846 446 HB3 ALA 55 HB3 ALA 55 -6.156 -6.303 -6.334 447 H GLU 56 H GLU 56 -4.161 -4.141 -6.602 448 HA GLU 56 HA GLU 56 -4.276 -1.661 -5.056 449 HB2 GLU 56 HB2 GLU 56 -2.460 -2.282 -6.804 450 HB3 GLU 56 HB3 GLU 56 -3.672 -1.850 -8.011 451 HG2 GLU 56 HG2 GLU 56 -2.429 0.143 -7.649 452 HG3 GLU 56 HG3 GLU 56 -3.909 0.366 -6.722 453 H VAL 57 H VAL 57 -5.761 0.006 -5.392 454 HA VAL 57 HA VAL 57 -8.317 -0.735 -6.412 455 HB VAL 57 HB VAL 57 -8.012 0.867 -4.539 456 HG11 VAL 57 HG11 VAL 57 -6.051 2.071 -5.404 457 HG12 VAL 57 HG12 VAL 57 -7.359 3.191 -5.023 458 HG13 VAL 57 HG13 VAL 57 -7.035 2.753 -6.701 459 HG21 VAL 57 HG21 VAL 57 -10.112 0.839 -5.901 460 HG22 VAL 57 HG22 VAL 57 -9.428 2.097 -6.930 461 HG23 VAL 57 HG23 VAL 57 -9.764 2.434 -5.231 462 H THR 58 H THR 58 -9.246 -0.493 -8.339 463 HA THR 58 HA THR 58 -7.711 0.891 -10.455 464 HB THR 58 HB THR 58 -8.925 -0.559 -12.048 465 HG1 THR 58 HG1 THR 58 -10.275 -2.113 -11.300 466 HG21 THR 58 HG21 THR 58 -7.680 -2.568 -11.572 467 HG22 THR 58 HG22 THR 58 -7.590 -2.164 -9.858 468 HG23 THR 58 HG23 THR 58 -6.711 -1.194 -11.038 469 H GLY 59 H GLY 59 -10.742 0.816 -8.761 470 HA2 GLY 59 HA2 GLY 59 -12.620 2.133 -8.846 471 HA3 GLY 59 HA3 GLY 59 -11.585 3.343 -9.597 472 H LEU 60 H LEU 60 -12.619 4.100 -11.314 473 HA LEU 60 HA LEU 60 -14.463 2.573 -12.873 474 HB2 LEU 60 HB2 LEU 60 -14.628 4.639 -14.259 475 HB3 LEU 60 HB3 LEU 60 -14.794 4.968 -12.542 476 HG LEU 60 HG LEU 60 -12.237 5.477 -12.605 477 HD11 LEU 60 HD11 LEU 60 -12.910 5.341 -15.541 478 HD12 LEU 60 HD12 LEU 60 -11.477 4.746 -14.704 479 HD13 LEU 60 HD13 LEU 60 -11.673 6.464 -14.979 480 HD21 LEU 60 HD21 LEU 60 -12.675 7.803 -13.228 481 HD22 LEU 60 HD22 LEU 60 -14.067 7.172 -12.347 482 HD23 LEU 60 HD23 LEU 60 -14.131 7.324 -14.103 483 HA PRO 61 HA PRO 61 -11.815 0.775 -15.952 484 HB2 PRO 61 HB2 PRO 61 -13.142 1.120 -18.313 485 HB3 PRO 61 HB3 PRO 61 -13.654 -0.045 -17.074 486 HG2 PRO 61 HG2 PRO 61 -14.691 2.699 -17.621 487 HG3 PRO 61 HG3 PRO 61 -15.586 1.203 -17.287 488 HD2 PRO 61 HD2 PRO 61 -15.206 3.045 -15.375 489 HD3 PRO 61 HD3 PRO 61 -15.193 1.309 -14.993 490 H MET 62 H MET 62 -10.217 1.264 -17.523 491 HA MET 62 HA MET 62 -8.674 2.565 -18.614 492 HB2 MET 62 HB2 MET 62 -11.010 4.475 -18.994 493 HB3 MET 62 HB3 MET 62 -9.462 4.577 -19.829 494 HG2 MET 62 HG2 MET 62 -9.832 2.377 -20.841 495 HG3 MET 62 HG3 MET 62 -11.361 2.220 -19.972 496 HE1 MET 62 HE1 MET 62 -13.004 2.010 -22.211 497 HE2 MET 62 HE2 MET 62 -11.345 1.611 -22.646 498 HE3 MET 62 HE3 MET 62 -12.290 2.668 -23.692 499 H GLU 63 H GLU 63 -8.819 2.661 -15.825 500 HA GLU 63 HA GLU 63 -8.872 5.180 -14.637 501 HB2 GLU 63 HB2 GLU 63 -7.346 4.174 -12.891 502 HB3 GLU 63 HB3 GLU 63 -8.830 3.271 -13.198 503 HG2 GLU 63 HG2 GLU 63 -6.450 2.470 -14.833 504 HG3 GLU 63 HG3 GLU 63 -6.358 2.146 -13.110 505 H GLY 64 H GLY 64 -7.696 6.923 -14.865 506 HA2 GLY 64 HA2 GLY 64 -5.288 6.993 -16.432 507 HA3 GLY 64 HA3 GLY 64 -6.002 8.344 -15.554 508 H TYR 65 H TYR 65 -6.008 7.648 -12.995 509 HA TYR 65 HA TYR 65 -3.239 7.775 -12.237 510 HB2 TYR 65 HB2 TYR 65 -5.808 7.665 -10.658 511 HB3 TYR 65 HB3 TYR 65 -4.220 7.738 -9.893 512 HD1 TYR 65 HD1 TYR 65 -6.721 9.574 -11.869 513 HD2 TYR 65 HD2 TYR 65 -2.789 9.728 -10.142 514 HE1 TYR 65 HE1 TYR 65 -6.669 12.033 -12.201 515 HE2 TYR 65 HE2 TYR 65 -2.739 12.184 -10.476 516 HH TYR 65 HH TYR 65 -4.246 14.030 -10.781 517 H GLY 66 H GLY 66 -5.843 5.368 -11.791 518 HA2 GLY 66 HA2 GLY 66 -4.323 3.476 -10.356 519 HA3 GLY 66 HA3 GLY 66 -5.777 3.129 -11.289 520 H GLY 67 H GLY 67 -4.947 3.891 -13.811 521 HA2 GLY 67 HA2 GLY 67 -3.588 1.610 -14.729 522 HA3 GLY 67 HA3 GLY 67 -3.927 3.048 -15.684 523 H ARG 68 H ARG 68 -2.555 4.924 -14.102 524 HA ARG 68 HA ARG 68 0.027 4.825 -15.193 525 HB2 ARG 68 HB2 ARG 68 -1.160 6.909 -14.543 526 HB3 ARG 68 HB3 ARG 68 -0.947 6.480 -12.847 527 HG2 ARG 68 HG2 ARG 68 1.500 6.539 -13.120 528 HG3 ARG 68 HG3 ARG 68 1.310 6.919 -14.831 529 HD2 ARG 68 HD2 ARG 68 0.148 9.006 -14.257 530 HD3 ARG 68 HD3 ARG 68 0.295 8.627 -12.544 531 HE ARG 68 HE ARG 68 2.874 8.575 -13.669 532 HH11 ARG 68 HH11 ARG 68 0.350 10.930 -13.012 533 HH12 ARG 68 HH12 ARG 68 1.462 12.246 -12.824 534 HH21 ARG 68 HH21 ARG 68 4.288 10.314 -13.401 535 HH22 ARG 68 HH22 ARG 68 3.681 11.896 -13.042 536 H ALA 69 H ALA 69 -1.102 4.112 -11.860 537 HA ALA 69 HA ALA 69 1.606 3.256 -11.147 538 HB1 ALA 69 HB1 ALA 69 -0.841 3.799 -9.471 539 HB2 ALA 69 HB2 ALA 69 0.585 4.824 -9.625 540 HB3 ALA 69 HB3 ALA 69 0.709 3.253 -8.835 541 H GLU 70 H GLU 70 2.134 1.202 -11.123 542 HA GLU 70 HA GLU 70 0.067 -0.848 -10.625 543 HB2 GLU 70 HB2 GLU 70 2.378 -1.024 -12.582 544 HB3 GLU 70 HB3 GLU 70 1.312 -2.364 -12.155 545 HG2 GLU 70 HG2 GLU 70 0.331 0.257 -13.320 546 HG3 GLU 70 HG3 GLU 70 0.676 -1.174 -14.288 547 H TRP 71 H TRP 71 0.588 -2.315 -9.079 548 HA TRP 71 HA TRP 71 2.842 -1.755 -7.427 549 HB2 TRP 71 HB2 TRP 71 2.043 -3.625 -6.026 550 HB3 TRP 71 HB3 TRP 71 0.744 -2.506 -6.431 551 HD1 TRP 71 HD1 TRP 71 -1.157 -3.355 -8.074 552 HE1 TRP 71 HE1 TRP 71 -1.840 -5.712 -8.870 553 HE3 TRP 71 HE3 TRP 71 2.972 -5.995 -6.648 554 HZ2 TRP 71 HZ2 TRP 71 -0.774 -8.364 -8.896 555 HZ3 TRP 71 HZ3 TRP 71 3.114 -8.435 -7.070 556 HH2 TRP 71 HH2 TRP 71 1.245 -9.620 -8.192 557 H MET 72 H MET 72 4.783 -2.562 -7.359 558 HA MET 72 HA MET 72 5.376 -5.080 -8.779 559 HB2 MET 72 HB2 MET 72 6.208 -3.078 -10.038 560 HB3 MET 72 HB3 MET 72 7.198 -2.649 -8.648 561 HG2 MET 72 HG2 MET 72 7.418 -5.419 -9.837 562 HG3 MET 72 HG3 MET 72 8.248 -4.066 -10.600 563 HE1 MET 72 HE1 MET 72 11.227 -5.644 -8.894 564 HE2 MET 72 HE2 MET 72 10.329 -5.320 -10.373 565 HE3 MET 72 HE3 MET 72 9.839 -6.652 -9.331 566 H GLU 73 H GLU 73 5.545 -6.434 -7.092 567 HA GLU 73 HA GLU 73 6.480 -5.694 -4.521 568 HB2 GLU 73 HB2 GLU 73 4.903 -7.589 -5.022 569 HB3 GLU 73 HB3 GLU 73 6.293 -8.504 -5.607 570 HG2 GLU 73 HG2 GLU 73 7.375 -8.368 -3.445 571 HG3 GLU 73 HG3 GLU 73 6.127 -7.285 -2.832 572 H ASP 74 H ASP 74 8.385 -5.889 -3.517 573 HA ASP 74 HA ASP 74 10.779 -5.863 -5.012 574 HB2 ASP 74 HB2 ASP 74 10.229 -6.096 -2.062 575 HB3 ASP 74 HB3 ASP 74 11.861 -6.022 -2.714 576 H SER 75 H SER 75 12.484 -7.282 -5.121 577 HA SER 75 HA SER 75 11.906 -10.014 -5.475 578 HB2 SER 75 HB2 SER 75 13.725 -8.902 -6.663 579 HB3 SER 75 HB3 SER 75 14.571 -8.632 -5.144 580 HG SER 75 HG SER 75 15.421 -10.489 -5.877 581 H THR 76 H THR 76 13.369 -8.264 -2.767 582 HA THR 76 HA THR 76 14.392 -10.421 -1.322 583 HB THR 76 HB THR 76 13.251 -7.821 -0.232 584 HG1 THR 76 HG1 THR 76 15.130 -6.972 -0.764 585 HG21 THR 76 HG21 THR 76 15.432 -9.531 0.981 586 HG22 THR 76 HG22 THR 76 13.738 -9.745 1.417 587 HG23 THR 76 HG23 THR 76 14.539 -8.208 1.733 588 H GLU 77 H GLU 77 11.112 -9.073 -1.359 589 HA GLU 77 HA GLU 77 9.110 -9.854 -0.550 590 HB2 GLU 77 HB2 GLU 77 10.560 -12.520 -0.658 591 HB3 GLU 77 HB3 GLU 77 8.817 -12.312 -0.491 592 HG2 GLU 77 HG2 GLU 77 10.435 -11.228 -2.817 593 HG3 GLU 77 HG3 GLU 77 9.561 -12.755 -2.857 594 H GLU 78 H GLU 78 11.003 -8.859 1.396 595 HA GLU 78 HA GLU 78 10.352 -10.515 3.761 596 HB2 GLU 78 HB2 GLU 78 12.797 -10.025 3.262 597 HB3 GLU 78 HB3 GLU 78 12.451 -8.335 3.634 598 HG2 GLU 78 HG2 GLU 78 11.716 -8.950 5.887 599 HG3 GLU 78 HG3 GLU 78 11.927 -10.657 5.514 600 H GLY 79 H GLY 79 8.282 -9.123 2.801 601 HA2 GLY 79 HA2 GLY 79 6.551 -7.870 3.712 602 HA3 GLY 79 HA3 GLY 79 7.645 -7.314 4.971 603 H SER 80 H SER 80 9.296 -6.740 2.159 604 HA SER 80 HA SER 80 8.667 -3.911 2.223 605 HB2 SER 80 HB2 SER 80 10.513 -3.664 0.677 606 HB3 SER 80 HB3 SER 80 10.995 -4.747 1.979 607 HG SER 80 HG SER 80 10.785 -6.456 0.617 608 H VAL 81 H VAL 81 8.062 -2.693 0.370 609 HA VAL 81 HA VAL 81 6.754 -4.173 -1.800 610 HB VAL 81 HB VAL 81 4.752 -2.725 -1.644 611 HG11 VAL 81 HG11 VAL 81 5.337 -4.184 0.947 612 HG12 VAL 81 HG12 VAL 81 4.828 -4.963 -0.551 613 HG13 VAL 81 HG13 VAL 81 3.746 -3.840 0.269 614 HG21 VAL 81 HG21 VAL 81 4.390 -1.410 0.449 615 HG22 VAL 81 HG22 VAL 81 5.762 -0.798 -0.476 616 HG23 VAL 81 HG23 VAL 81 6.037 -1.792 0.953 617 H ALA 82 H ALA 82 6.274 -2.871 -3.670 618 HA ALA 82 HA ALA 82 7.515 -0.253 -3.813 619 HB1 ALA 82 HB1 ALA 82 8.522 -1.261 -6.135 620 HB2 ALA 82 HB2 ALA 82 8.655 -2.668 -5.080 621 HB3 ALA 82 HB3 ALA 82 9.431 -1.154 -4.630 622 H LEU 83 H LEU 83 6.640 1.039 -5.414 623 HA LEU 83 HA LEU 83 4.444 -0.102 -7.017 624 HB2 LEU 83 HB2 LEU 83 3.534 1.224 -5.154 625 HB3 LEU 83 HB3 LEU 83 4.531 2.592 -5.617 626 HG LEU 83 HG LEU 83 3.336 2.609 -7.858 627 HD11 LEU 83 HD11 LEU 83 1.199 1.392 -8.019 628 HD12 LEU 83 HD12 LEU 83 1.490 0.654 -6.446 629 HD13 LEU 83 HD13 LEU 83 2.540 0.270 -7.808 630 HD21 LEU 83 HD21 LEU 83 1.513 3.875 -7.018 631 HD22 LEU 83 HD22 LEU 83 2.725 4.000 -5.752 632 HD23 LEU 83 HD23 LEU 83 1.371 2.884 -5.568 633 H LYS 84 H LYS 84 4.684 0.176 -9.116 634 HA LYS 84 HA LYS 84 6.774 1.941 -10.130 635 HB2 LYS 84 HB2 LYS 84 6.632 -0.425 -10.887 636 HB3 LYS 84 HB3 LYS 84 5.057 -0.086 -11.591 637 HG2 LYS 84 HG2 LYS 84 6.026 1.542 -13.125 638 HG3 LYS 84 HG3 LYS 84 7.600 1.401 -12.345 639 HD2 LYS 84 HD2 LYS 84 7.737 0.049 -14.311 640 HD3 LYS 84 HD3 LYS 84 7.535 -1.083 -12.973 641 HE2 LYS 84 HE2 LYS 84 6.033 -1.748 -14.767 642 HE3 LYS 84 HE3 LYS 84 5.065 -1.105 -13.443 643 HZ1 LYS 84 HZ1 LYS 84 5.655 1.088 -14.982 644 HZ2 LYS 84 HZ2 LYS 84 4.182 0.247 -14.950 645 HZ3 LYS 84 HZ3 LYS 84 5.354 -0.135 -16.117 646 H ILE 85 H ILE 85 6.339 3.904 -10.861 647 HA ILE 85 HA ILE 85 3.586 4.562 -11.732 648 HB ILE 85 HB ILE 85 4.283 5.745 -9.668 649 HG12 ILE 85 HG12 ILE 85 4.281 7.730 -11.964 650 HG13 ILE 85 HG13 ILE 85 2.836 6.831 -11.509 651 HG21 ILE 85 HG21 ILE 85 6.132 7.345 -9.697 652 HG22 ILE 85 HG22 ILE 85 6.476 6.958 -11.383 653 HG23 ILE 85 HG23 ILE 85 6.729 5.743 -10.130 654 HD11 ILE 85 HD11 ILE 85 4.390 8.818 -9.840 655 HD12 ILE 85 HD12 ILE 85 3.223 7.703 -9.127 656 HD13 ILE 85 HD13 ILE 85 2.694 8.893 -10.316 657 H ARG 86 H ARG 86 3.310 5.176 -13.780 658 HA ARG 86 HA ARG 86 5.587 5.234 -15.571 659 HB2 ARG 86 HB2 ARG 86 2.613 5.415 -16.066 660 HB3 ARG 86 HB3 ARG 86 3.834 5.384 -17.339 661 HG2 ARG 86 HG2 ARG 86 4.606 3.198 -16.631 662 HG3 ARG 86 HG3 ARG 86 3.545 3.235 -15.221 663 HD2 ARG 86 HD2 ARG 86 1.573 3.312 -16.700 664 HD3 ARG 86 HD3 ARG 86 2.626 3.269 -18.111 665 HE ARG 86 HE ARG 86 3.297 1.043 -16.576 666 HH11 ARG 86 HH11 ARG 86 0.437 2.218 -18.247 667 HH12 ARG 86 HH12 ARG 86 -0.204 0.633 -18.522 668 HH21 ARG 86 HH21 ARG 86 2.415 -1.007 -16.940 669 HH22 ARG 86 HH22 ARG 86 0.912 -1.181 -17.783 670 H GLN 87 H GLN 87 6.182 6.858 -16.955 671 HA GLN 87 HA GLN 87 6.707 8.995 -17.575 672 HB2 GLN 87 HB2 GLN 87 3.717 9.429 -17.309 673 HB3 GLN 87 HB3 GLN 87 4.826 10.337 -18.330 674 HG2 GLN 87 HG2 GLN 87 4.064 7.403 -18.628 675 HG3 GLN 87 HG3 GLN 87 3.652 8.715 -19.726 676 HE21 GLN 87 HE21 GLN 87 5.705 6.136 -19.470 677 HE22 GLN 87 HE22 GLN 87 7.015 6.699 -20.389 678 H VAL 88 H VAL 88 7.831 9.284 -15.480 679 HA VAL 88 HA VAL 88 6.616 10.739 -13.351 680 HB VAL 88 HB VAL 88 8.878 11.012 -12.470 681 HG11 VAL 88 HG11 VAL 88 8.139 8.322 -13.612 682 HG12 VAL 88 HG12 VAL 88 7.989 8.899 -11.954 683 HG13 VAL 88 HG13 VAL 88 9.580 8.525 -12.617 684 HG21 VAL 88 HG21 VAL 88 9.658 10.294 -15.297 685 HG22 VAL 88 HG22 VAL 88 10.739 9.814 -13.990 686 HG23 VAL 88 HG23 VAL 88 10.340 11.511 -14.225 687 H GLN 89 H GLN 89 7.147 12.904 -12.664 688 HA GLN 89 HA GLN 89 8.276 14.734 -14.570 689 HB2 GLN 89 HB2 GLN 89 5.995 16.232 -14.156 690 HB3 GLN 89 HB3 GLN 89 6.321 15.302 -15.607 691 HG2 GLN 89 HG2 GLN 89 4.138 14.662 -15.011 692 HG3 GLN 89 HG3 GLN 89 5.092 13.357 -14.328 693 HE21 GLN 89 HE21 GLN 89 5.678 13.654 -11.960 694 HE22 GLN 89 HE22 GLN 89 4.551 14.440 -10.958 695 HA PRO 90 HA PRO 90 9.758 17.286 -11.317 696 HB2 PRO 90 HB2 PRO 90 7.785 19.448 -11.963 697 HB3 PRO 90 HB3 PRO 90 9.535 19.566 -11.673 698 HG2 PRO 90 HG2 PRO 90 8.659 19.675 -14.124 699 HG3 PRO 90 HG3 PRO 90 10.068 18.658 -13.753 700 HD2 PRO 90 HD2 PRO 90 7.243 17.834 -14.281 701 HD3 PRO 90 HD3 PRO 90 8.756 17.036 -14.780 702 H SER 91 H SER 91 6.206 17.287 -11.521 703 HA SER 91 HA SER 91 5.653 18.040 -8.854 704 HB2 SER 91 HB2 SER 91 4.064 16.329 -10.769 705 HB3 SER 91 HB3 SER 91 3.460 16.912 -9.226 706 HG SER 91 HG SER 91 3.398 18.168 -11.500 707 H ASP 92 H ASP 92 6.422 14.912 -10.325 708 HA ASP 92 HA ASP 92 5.852 13.303 -8.035 709 HB2 ASP 92 HB2 ASP 92 7.588 12.839 -10.461 710 HB3 ASP 92 HB3 ASP 92 7.442 11.655 -9.170 711 H ASP 93 H ASP 93 8.681 15.074 -9.148 712 HA ASP 93 HA ASP 93 10.649 14.062 -7.447 713 HB2 ASP 93 HB2 ASP 93 10.943 15.782 -9.295 714 HB3 ASP 93 HB3 ASP 93 10.332 16.981 -8.168 715 H GLY 94 H GLY 94 10.704 13.915 -5.300 716 HA2 GLY 94 HA2 GLY 94 10.639 15.715 -3.343 717 HA3 GLY 94 HA3 GLY 94 8.913 15.542 -3.665 718 H GLN 95 H GLN 95 8.449 14.653 -1.661 719 HA GLN 95 HA GLN 95 9.603 11.993 -1.085 720 HB2 GLN 95 HB2 GLN 95 8.493 14.114 0.746 721 HB3 GLN 95 HB3 GLN 95 8.810 12.463 1.273 722 HG2 GLN 95 HG2 GLN 95 10.784 13.674 1.819 723 HG3 GLN 95 HG3 GLN 95 11.185 12.791 0.348 724 HE21 GLN 95 HE21 GLN 95 12.549 14.197 -0.801 725 HE22 GLN 95 HE22 GLN 95 12.183 15.819 -1.144 726 H TYR 96 H TYR 96 8.280 10.311 -0.401 727 HA TYR 96 HA TYR 96 5.376 10.682 -0.763 728 HB2 TYR 96 HB2 TYR 96 6.994 8.293 -1.671 729 HB3 TYR 96 HB3 TYR 96 5.251 8.414 -1.737 730 HD1 TYR 96 HD1 TYR 96 8.412 9.912 -3.038 731 HD2 TYR 96 HD2 TYR 96 4.179 9.454 -3.591 732 HE1 TYR 96 HE1 TYR 96 8.602 10.862 -5.322 733 HE2 TYR 96 HE2 TYR 96 4.368 10.417 -5.864 734 HH TYR 96 HH TYR 96 6.640 10.491 -7.629 735 H TRP 97 H TRP 97 4.157 9.826 0.861 736 HA TRP 97 HA TRP 97 5.571 8.395 2.995 737 HB2 TRP 97 HB2 TRP 97 2.987 9.948 2.976 738 HB3 TRP 97 HB3 TRP 97 3.525 8.986 4.349 739 HD1 TRP 97 HD1 TRP 97 5.535 9.873 5.775 740 HE1 TRP 97 HE1 TRP 97 6.734 12.152 5.889 741 HE3 TRP 97 HE3 TRP 97 3.753 12.028 1.498 742 HZ2 TRP 97 HZ2 TRP 97 6.916 14.564 4.371 743 HZ3 TRP 97 HZ3 TRP 97 4.457 14.319 0.861 744 HH2 TRP 97 HH2 TRP 97 6.036 15.589 2.292 745 H CYS 98 H CYS 98 5.166 6.318 3.462 746 HA CYS 98 HA CYS 98 2.970 4.883 2.117 747 HB2 CYS 98 HB2 CYS 98 5.296 3.934 3.818 748 HB3 CYS 98 HB3 CYS 98 4.004 2.870 3.266 749 H ARG 99 H ARG 99 1.194 4.113 3.270 750 HA ARG 99 HA ARG 99 1.088 4.778 6.155 751 HB2 ARG 99 HB2 ARG 99 -0.248 6.232 4.469 752 HB3 ARG 99 HB3 ARG 99 -1.278 4.814 4.309 753 HG2 ARG 99 HG2 ARG 99 -1.575 4.834 6.807 754 HG3 ARG 99 HG3 ARG 99 -0.737 6.389 6.835 755 HD2 ARG 99 HD2 ARG 99 -2.432 7.206 5.119 756 HD3 ARG 99 HD3 ARG 99 -3.320 5.720 5.410 757 HE ARG 99 HE ARG 99 -3.924 6.517 7.546 758 HH11 ARG 99 HH11 ARG 99 -1.693 8.752 5.989 759 HH12 ARG 99 HH12 ARG 99 -2.031 10.044 7.089 760 HH21 ARG 99 HH21 ARG 99 -4.368 8.260 8.929 761 HH22 ARG 99 HH22 ARG 99 -3.533 9.765 8.741 762 H PHE 100 H PHE 100 1.169 2.798 7.188 763 HA PHE 100 HA PHE 100 -0.238 0.507 5.993 764 HB2 PHE 100 HB2 PHE 100 2.091 0.294 6.952 765 HB3 PHE 100 HB3 PHE 100 1.388 0.579 8.544 766 HD1 PHE 100 HD1 PHE 100 1.544 -1.726 5.671 767 HD2 PHE 100 HD2 PHE 100 -0.009 -1.098 9.620 768 HE1 PHE 100 HE1 PHE 100 0.917 -4.118 5.799 769 HE2 PHE 100 HE2 PHE 100 -0.638 -3.493 9.751 770 HZ PHE 100 HZ PHE 100 -0.171 -5.003 7.841 771 H GLN 101 H GLN 101 -2.328 0.301 6.445 772 HA GLN 101 HA GLN 101 -3.300 1.230 9.079 773 HB2 GLN 101 HB2 GLN 101 -4.129 2.492 7.085 774 HB3 GLN 101 HB3 GLN 101 -4.889 1.005 6.521 775 HG2 GLN 101 HG2 GLN 101 -6.236 0.883 8.569 776 HG3 GLN 101 HG3 GLN 101 -5.450 2.334 9.191 777 HE21 GLN 101 HE21 GLN 101 -8.367 1.745 8.331 778 HE22 GLN 101 HE22 GLN 101 -8.734 3.019 7.269 779 H GLU 102 H GLU 102 -4.070 -0.188 10.400 780 HA GLU 102 HA GLU 102 -5.589 -2.489 9.533 781 HB2 GLU 102 HB2 GLU 102 -3.277 -3.379 9.513 782 HB3 GLU 102 HB3 GLU 102 -3.058 -2.853 11.178 783 HG2 GLU 102 HG2 GLU 102 -3.619 -5.255 11.116 784 HG3 GLU 102 HG3 GLU 102 -4.905 -4.347 11.899 785 H GLY 103 H GLY 103 -7.217 -2.825 10.944 786 HA2 GLY 103 HA2 GLY 103 -8.593 -2.540 12.768 787 HA3 GLY 103 HA3 GLY 103 -7.130 -2.407 13.746 788 H ASP 104 H ASP 104 -7.293 -0.591 14.938 789 HA ASP 104 HA ASP 104 -8.280 1.878 13.627 790 HB2 ASP 104 HB2 ASP 104 -9.453 0.851 15.712 791 HB3 ASP 104 HB3 ASP 104 -8.102 1.548 16.603 792 H TYR 105 H TYR 105 -5.412 0.590 13.983 793 HA TYR 105 HA TYR 105 -4.097 3.121 14.767 794 HB2 TYR 105 HB2 TYR 105 -3.806 1.435 16.566 795 HB3 TYR 105 HB3 TYR 105 -3.099 0.321 15.401 796 HD1 TYR 105 HD1 TYR 105 -2.627 3.589 17.114 797 HD2 TYR 105 HD2 TYR 105 -0.820 0.556 14.666 798 HE1 TYR 105 HE1 TYR 105 -0.405 4.638 17.453 799 HE2 TYR 105 HE2 TYR 105 1.402 1.604 15.008 800 HH TYR 105 HH TYR 105 2.541 3.075 16.451 801 H TRP 106 H TRP 106 -2.525 3.847 13.392 802 HA TRP 106 HA TRP 106 -1.402 2.050 11.380 803 HB2 TRP 106 HB2 TRP 106 -1.975 3.546 9.500 804 HB3 TRP 106 HB3 TRP 106 -3.436 2.954 10.294 805 HD1 TRP 106 HD1 TRP 106 -1.435 6.062 9.570 806 HE1 TRP 106 HE1 TRP 106 -2.738 8.138 10.392 807 HE3 TRP 106 HE3 TRP 106 -5.212 3.784 12.157 808 HZ2 TRP 106 HZ2 TRP 106 -5.068 8.747 11.928 809 HZ3 TRP 106 HZ3 TRP 106 -6.959 5.138 13.286 810 HH2 TRP 106 HH2 TRP 106 -6.890 7.615 13.173 811 H ARG 107 H ARG 107 0.419 3.023 10.205 812 HA ARG 107 HA ARG 107 1.617 5.403 11.425 813 HB2 ARG 107 HB2 ARG 107 2.407 3.468 12.782 814 HB3 ARG 107 HB3 ARG 107 3.077 2.740 11.329 815 HG2 ARG 107 HG2 ARG 107 4.877 3.893 12.498 816 HG3 ARG 107 HG3 ARG 107 4.518 4.801 11.034 817 HD2 ARG 107 HD2 ARG 107 3.209 6.425 12.307 818 HD3 ARG 107 HD3 ARG 107 3.390 5.471 13.776 819 HE ARG 107 HE ARG 107 5.965 6.072 12.837 820 HH11 ARG 107 HH11 ARG 107 3.177 7.819 14.080 821 HH12 ARG 107 HH12 ARG 107 4.126 9.113 14.732 822 HH21 ARG 107 HH21 ARG 107 7.166 7.779 13.707 823 HH22 ARG 107 HH22 ARG 107 6.374 9.087 14.521 824 H GLU 108 H GLU 108 3.225 6.412 10.113 825 HA GLU 108 HA GLU 108 3.560 5.267 7.432 826 HB2 GLU 108 HB2 GLU 108 3.005 7.435 6.381 827 HB3 GLU 108 HB3 GLU 108 1.642 6.768 7.274 828 HG2 GLU 108 HG2 GLU 108 3.467 8.632 8.772 829 HG3 GLU 108 HG3 GLU 108 2.413 9.331 7.553 830 H THR 109 H THR 109 5.222 6.209 6.106 831 HA THR 109 HA THR 109 7.210 7.922 7.386 832 HB THR 109 HB THR 109 7.877 5.669 8.137 833 HG1 THR 109 HG1 THR 109 9.457 7.243 7.553 834 HG21 THR 109 HG21 THR 109 8.443 3.919 6.592 835 HG22 THR 109 HG22 THR 109 8.223 4.985 5.209 836 HG23 THR 109 HG23 THR 109 6.829 4.479 6.164 837 H SER 110 H SER 110 8.642 8.913 5.929 838 HA SER 110 HA SER 110 7.692 9.089 3.211 839 HB2 SER 110 HB2 SER 110 8.192 11.172 4.118 840 HB3 SER 110 HB3 SER 110 9.727 10.627 4.800 841 HG SER 110 HG SER 110 10.223 11.728 2.958 842 H VAL 111 H VAL 111 8.949 8.915 1.352 843 HA VAL 111 HA VAL 111 11.395 7.263 1.495 844 HB VAL 111 HB VAL 111 9.151 6.996 -0.548 845 HG11 VAL 111 HG11 VAL 111 11.548 6.561 -1.323 846 HG12 VAL 111 HG12 VAL 111 10.422 5.219 -1.526 847 HG13 VAL 111 HG13 VAL 111 11.571 5.211 -0.190 848 HG21 VAL 111 HG21 VAL 111 8.652 6.076 1.748 849 HG22 VAL 111 HG22 VAL 111 10.052 5.017 1.569 850 HG23 VAL 111 HG23 VAL 111 8.675 4.852 0.478 851 H LEU 112 H LEU 112 13.074 7.985 0.158 852 HA LEU 112 HA LEU 112 12.675 10.646 -0.967 853 HB2 LEU 112 HB2 LEU 112 15.160 8.949 -0.645 854 HB3 LEU 112 HB3 LEU 112 15.152 10.587 -1.298 855 HG LEU 112 HG LEU 112 14.036 9.891 1.438 856 HD11 LEU 112 HD11 LEU 112 16.192 10.984 2.246 857 HD12 LEU 112 HD12 LEU 112 16.797 10.810 0.599 858 HD13 LEU 112 HD13 LEU 112 16.376 9.379 1.540 859 HD21 LEU 112 HD21 LEU 112 14.718 12.475 -0.011 860 HD22 LEU 112 HD22 LEU 112 14.480 12.411 1.736 861 HD23 LEU 112 HD23 LEU 112 13.157 11.989 0.650 862 H LEU 113 H LEU 113 12.064 10.977 -3.001 863 HA LEU 113 HA LEU 113 13.257 9.314 -5.116 864 HB2 LEU 113 HB2 LEU 113 10.311 9.934 -4.813 865 HB3 LEU 113 HB3 LEU 113 11.038 9.539 -6.368 866 HG LEU 113 HG LEU 113 12.071 7.467 -4.931 867 HD11 LEU 113 HD11 LEU 113 9.519 8.243 -3.520 868 HD12 LEU 113 HD12 LEU 113 11.106 7.958 -2.815 869 HD13 LEU 113 HD13 LEU 113 10.182 6.611 -3.467 870 HD21 LEU 113 HD21 LEU 113 10.782 7.165 -6.981 871 HD22 LEU 113 HD22 LEU 113 9.289 7.606 -6.153 872 HD23 LEU 113 HD23 LEU 113 10.117 6.107 -5.739 873 H GLN 114 H GLN 114 14.440 10.662 -6.333 874 HA GLN 114 HA GLN 114 13.343 13.366 -6.880 875 HB2 GLN 114 HB2 GLN 114 16.190 12.506 -6.345 876 HB3 GLN 114 HB3 GLN 114 15.806 14.019 -7.167 877 HG2 GLN 114 HG2 GLN 114 16.017 14.530 -4.822 878 HG3 GLN 114 HG3 GLN 114 14.302 14.596 -5.224 879 HE21 GLN 114 HE21 GLN 114 13.118 13.670 -3.552 880 HE22 GLN 114 HE22 GLN 114 13.557 12.272 -2.703 881 H VAL 115 H VAL 115 12.461 13.133 -8.824 882 HA VAL 115 HA VAL 115 13.727 11.580 -10.910 883 HB VAL 115 HB VAL 115 11.793 12.310 -12.303 884 HG11 VAL 115 HG11 VAL 115 10.019 11.265 -10.744 885 HG12 VAL 115 HG12 VAL 115 11.310 11.150 -9.553 886 HG13 VAL 115 HG13 VAL 115 11.452 10.298 -11.089 887 HG21 VAL 115 HG21 VAL 115 10.880 13.737 -9.778 888 HG22 VAL 115 HG22 VAL 115 10.008 13.651 -11.308 889 HG23 VAL 115 HG23 VAL 115 11.518 14.558 -11.204 890 H ALA 116 H ALA 116 14.834 12.297 -12.657 891 HA ALA 116 HA ALA 116 16.062 14.866 -12.528 892 HB1 ALA 116 HB1 ALA 116 16.145 12.542 -14.385 893 HB2 ALA 116 HB2 ALA 116 17.463 13.343 -13.532 894 HB3 ALA 116 HB3 ALA 116 16.759 14.088 -14.969 895 H ALA 117 H ALA 117 15.680 16.702 -13.697 896 HA ALA 117 HA ALA 117 13.250 16.731 -15.388 897 HB1 ALA 117 HB1 ALA 117 13.089 17.962 -13.197 898 HB2 ALA 117 HB2 ALA 117 12.788 18.952 -14.625 899 HB3 ALA 117 HB3 ALA 117 14.340 19.052 -13.793 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 1.381 -6.753 19.965 2 H2 MET 1 HT2 MET 1 0.403 -5.587 19.210 3 H3 MET 1 HT3 MET 1 1.885 -5.137 19.910 4 HA MET 1 HA MET 1 2.951 -6.747 18.278 5 HB2 MET 1 HB2 MET 1 0.171 -6.399 17.128 6 HB3 MET 1 HB3 MET 1 1.550 -6.946 16.172 7 HG2 MET 1 HG2 MET 1 1.892 -8.787 17.854 8 HG3 MET 1 HG3 MET 1 0.378 -8.301 18.615 9 HE1 MET 1 HE1 MET 1 -1.710 -8.237 17.758 10 HE2 MET 1 HE2 MET 1 -2.389 -9.177 16.432 11 HE3 MET 1 HE3 MET 1 -1.654 -7.611 16.103 12 H ASP 2 H ASP 2 0.570 -4.230 17.348 13 HA ASP 2 HA ASP 2 0.805 -2.146 16.423 14 HB2 ASP 2 HB2 ASP 2 2.382 -1.973 18.490 15 HB3 ASP 2 HB3 ASP 2 3.681 -2.074 17.305 16 H PHE 3 H PHE 3 1.337 -1.250 14.468 17 HA PHE 3 HA PHE 3 3.115 -2.861 12.739 18 HB2 PHE 3 HB2 PHE 3 0.776 -1.071 12.022 19 HB3 PHE 3 HB3 PHE 3 1.805 -1.900 10.852 20 HD1 PHE 3 HD1 PHE 3 -0.844 -2.276 13.357 21 HD2 PHE 3 HD2 PHE 3 1.791 -4.373 10.688 22 HE1 PHE 3 HE1 PHE 3 -2.208 -4.329 13.624 23 HE2 PHE 3 HE2 PHE 3 0.425 -6.426 10.956 24 HZ PHE 3 HZ PHE 3 -1.572 -6.404 12.426 25 H ARG 4 H ARG 4 4.795 -1.898 11.690 26 HA ARG 4 HA ARG 4 5.076 1.020 11.884 27 HB2 ARG 4 HB2 ARG 4 6.192 -0.170 13.828 28 HB3 ARG 4 HB3 ARG 4 7.330 -0.831 12.658 29 HG2 ARG 4 HG2 ARG 4 6.859 2.155 12.624 30 HG3 ARG 4 HG3 ARG 4 7.802 1.485 13.948 31 HD2 ARG 4 HD2 ARG 4 8.412 1.082 11.000 32 HD3 ARG 4 HD3 ARG 4 9.258 2.177 12.082 33 HE ARG 4 HE ARG 4 9.524 -0.722 11.976 34 HH11 ARG 4 HH11 ARG 4 10.084 2.171 13.887 35 HH12 ARG 4 HH12 ARG 4 11.322 1.441 14.853 36 HH21 ARG 4 HH21 ARG 4 11.147 -1.635 13.255 37 HH22 ARG 4 HH22 ARG 4 11.919 -0.703 14.494 38 H VAL 5 H VAL 5 6.010 1.984 10.205 39 HA VAL 5 HA VAL 5 7.326 0.319 8.160 40 HB VAL 5 HB VAL 5 6.460 1.902 6.451 41 HG11 VAL 5 HG11 VAL 5 4.121 0.815 8.014 42 HG12 VAL 5 HG12 VAL 5 5.291 -0.259 7.250 43 HG13 VAL 5 HG13 VAL 5 4.367 0.872 6.266 44 HG21 VAL 5 HG21 VAL 5 5.043 3.070 8.869 45 HG22 VAL 5 HG22 VAL 5 4.435 3.314 7.233 46 HG23 VAL 5 HG23 VAL 5 6.031 3.918 7.679 47 H VAL 6 H VAL 6 9.109 1.285 7.063 48 HA VAL 6 HA VAL 6 10.114 3.805 8.229 49 HB VAL 6 HB VAL 6 12.392 2.863 8.380 50 HG11 VAL 6 HG11 VAL 6 10.767 2.845 10.304 51 HG12 VAL 6 HG12 VAL 6 12.039 1.628 10.404 52 HG13 VAL 6 HG13 VAL 6 10.411 1.164 9.905 53 HG21 VAL 6 HG21 VAL 6 11.081 0.166 7.904 54 HG22 VAL 6 HG22 VAL 6 12.802 0.501 8.103 55 HG23 VAL 6 HG23 VAL 6 11.961 1.044 6.650 56 H GLY 7 H GLY 7 11.735 4.903 6.996 57 HA2 GLY 7 HA2 GLY 7 11.597 4.346 4.077 58 HA3 GLY 7 HA3 GLY 7 11.545 5.951 4.771 59 HA PRO 8 HA PRO 8 16.139 4.815 5.649 60 HB2 PRO 8 HB2 PRO 8 17.053 2.292 5.309 61 HB3 PRO 8 HB3 PRO 8 16.276 2.831 6.814 62 HG2 PRO 8 HG2 PRO 8 15.107 1.293 4.539 63 HG3 PRO 8 HG3 PRO 8 14.943 1.017 6.284 64 HD2 PRO 8 HD2 PRO 8 13.005 2.257 4.853 65 HD3 PRO 8 HD3 PRO 8 13.351 2.687 6.544 66 H ASN 9 H ASN 9 14.446 3.703 2.887 67 HA ASN 9 HA ASN 9 16.411 2.987 1.073 68 HB2 ASN 9 HB2 ASN 9 13.827 4.469 0.565 69 HB3 ASN 9 HB3 ASN 9 14.793 3.654 -0.664 70 HD21 ASN 9 HD21 ASN 9 12.044 3.159 1.025 71 HD22 ASN 9 HD22 ASN 9 12.110 1.475 1.230 72 H LEU 10 H LEU 10 17.768 4.016 -0.229 73 HA LEU 10 HA LEU 10 18.533 6.725 0.345 74 HB2 LEU 10 HB2 LEU 10 19.545 4.724 -1.695 75 HB3 LEU 10 HB3 LEU 10 20.247 6.321 -1.448 76 HG LEU 10 HG LEU 10 19.954 4.284 0.784 77 HD11 LEU 10 HD11 LEU 10 21.443 3.326 -0.869 78 HD12 LEU 10 HD12 LEU 10 22.428 3.952 0.455 79 HD13 LEU 10 HD13 LEU 10 22.298 4.859 -1.051 80 HD21 LEU 10 HD21 LEU 10 21.788 5.762 1.774 81 HD22 LEU 10 HD22 LEU 10 20.211 6.538 1.628 82 HD23 LEU 10 HD23 LEU 10 21.479 6.894 0.455 83 HA PRO 11 HA PRO 11 16.289 9.134 -2.608 84 HB2 PRO 11 HB2 PRO 11 18.890 9.870 -3.885 85 HB3 PRO 11 HB3 PRO 11 17.543 10.913 -3.381 86 HG2 PRO 11 HG2 PRO 11 19.695 10.804 -1.899 87 HG3 PRO 11 HG3 PRO 11 18.095 10.769 -1.129 88 HD2 PRO 11 HD2 PRO 11 20.019 8.510 -1.558 89 HD3 PRO 11 HD3 PRO 11 18.936 8.826 -0.179 90 H ILE 12 H ILE 12 15.172 8.371 -4.364 91 HA ILE 12 HA ILE 12 16.485 6.531 -6.252 92 HB ILE 12 HB ILE 12 13.557 7.238 -5.925 93 HG12 ILE 12 HG12 ILE 12 14.383 6.128 -3.863 94 HG13 ILE 12 HG13 ILE 12 13.303 5.053 -4.738 95 HG21 ILE 12 HG21 ILE 12 13.127 5.191 -7.242 96 HG22 ILE 12 HG22 ILE 12 14.864 4.954 -7.433 97 HG23 ILE 12 HG23 ILE 12 14.081 6.363 -8.150 98 HD11 ILE 12 HD11 ILE 12 15.561 4.142 -5.804 99 HD12 ILE 12 HD12 ILE 12 15.061 3.606 -4.202 100 HD13 ILE 12 HD13 ILE 12 16.289 4.861 -4.366 101 H LEU 13 H LEU 13 17.133 7.303 -8.208 102 HA LEU 13 HA LEU 13 15.992 9.864 -9.119 103 HB2 LEU 13 HB2 LEU 13 18.736 8.744 -9.153 104 HB3 LEU 13 HB3 LEU 13 18.264 9.555 -10.641 105 HG LEU 13 HG LEU 13 17.504 11.516 -9.168 106 HD11 LEU 13 HD11 LEU 13 18.373 11.652 -6.925 107 HD12 LEU 13 HD12 LEU 13 19.280 10.153 -7.124 108 HD13 LEU 13 HD13 LEU 13 17.518 10.116 -7.057 109 HD21 LEU 13 HD21 LEU 13 19.790 12.404 -8.988 110 HD22 LEU 13 HD22 LEU 13 19.613 11.505 -10.494 111 HD23 LEU 13 HD23 LEU 13 20.453 10.776 -9.126 112 H ALA 14 H ALA 14 14.441 9.602 -10.509 113 HA ALA 14 HA ALA 14 14.779 7.714 -12.754 114 HB1 ALA 14 HB1 ALA 14 12.695 7.570 -11.200 115 HB2 ALA 14 HB2 ALA 14 12.434 7.574 -12.944 116 HB3 ALA 14 HB3 ALA 14 12.177 9.047 -12.013 117 H LYS 15 H LYS 15 13.264 8.802 -14.689 118 HA LYS 15 HA LYS 15 14.213 11.596 -14.992 119 HB2 LYS 15 HB2 LYS 15 14.214 9.413 -17.083 120 HB3 LYS 15 HB3 LYS 15 14.534 11.117 -17.416 121 HG2 LYS 15 HG2 LYS 15 16.431 11.068 -15.837 122 HG3 LYS 15 HG3 LYS 15 16.120 9.360 -15.521 123 HD2 LYS 15 HD2 LYS 15 16.503 8.845 -17.899 124 HD3 LYS 15 HD3 LYS 15 16.819 10.551 -18.221 125 HE2 LYS 15 HE2 LYS 15 18.723 10.498 -16.656 126 HE3 LYS 15 HE3 LYS 15 18.411 8.793 -16.332 127 HZ1 LYS 15 HZ1 LYS 15 20.153 9.396 -18.085 128 HZ2 LYS 15 HZ2 LYS 15 18.828 9.758 -19.087 129 HZ3 LYS 15 HZ3 LYS 15 19.026 8.189 -18.465 130 H VAL 16 H VAL 16 12.867 13.045 -16.049 131 HA VAL 16 HA VAL 16 10.114 12.687 -15.773 132 HB VAL 16 HB VAL 16 11.137 14.910 -15.893 133 HG11 VAL 16 HG11 VAL 16 12.841 14.369 -17.629 134 HG12 VAL 16 HG12 VAL 16 11.943 15.837 -18.018 135 HG13 VAL 16 HG13 VAL 16 11.563 14.326 -18.843 136 HG21 VAL 16 HG21 VAL 16 9.276 14.656 -18.275 137 HG22 VAL 16 HG22 VAL 16 9.422 16.007 -17.149 138 HG23 VAL 16 HG23 VAL 16 8.705 14.488 -16.613 139 H GLY 17 H GLY 17 8.600 11.721 -16.963 140 HA2 GLY 17 HA2 GLY 17 7.503 10.960 -18.921 141 HA3 GLY 17 HA3 GLY 17 9.008 11.145 -19.815 142 H GLU 18 H GLU 18 10.290 9.719 -17.336 143 HA GLU 18 HA GLU 18 9.861 6.978 -18.294 144 HB2 GLU 18 HB2 GLU 18 12.200 7.855 -18.269 145 HB3 GLU 18 HB3 GLU 18 12.070 8.090 -16.529 146 HG2 GLU 18 HG2 GLU 18 13.209 5.970 -16.995 147 HG3 GLU 18 HG3 GLU 18 11.656 5.653 -16.238 148 H ASP 19 H ASP 19 9.494 5.286 -16.779 149 HA ASP 19 HA ASP 19 7.734 6.017 -14.635 150 HB2 ASP 19 HB2 ASP 19 7.557 3.571 -14.288 151 HB3 ASP 19 HB3 ASP 19 7.339 4.013 -15.983 152 H ALA 20 H ALA 20 7.997 5.634 -12.412 153 HA ALA 20 HA ALA 20 10.788 5.275 -11.481 154 HB1 ALA 20 HB1 ALA 20 9.711 7.663 -11.389 155 HB2 ALA 20 HB2 ALA 20 10.635 7.060 -10.013 156 HB3 ALA 20 HB3 ALA 20 8.872 7.017 -9.979 157 H LEU 21 H LEU 21 10.992 4.517 -9.248 158 HA LEU 21 HA LEU 21 8.761 2.685 -8.560 159 HB2 LEU 21 HB2 LEU 21 11.752 2.366 -8.436 160 HB3 LEU 21 HB3 LEU 21 10.729 1.427 -7.358 161 HG LEU 21 HG LEU 21 11.276 0.154 -9.410 162 HD11 LEU 21 HD11 LEU 21 9.114 -0.673 -9.886 163 HD12 LEU 21 HD12 LEU 21 8.362 0.889 -9.565 164 HD13 LEU 21 HD13 LEU 21 9.025 -0.058 -8.233 165 HD21 LEU 21 HD21 LEU 21 10.709 0.855 -11.608 166 HD22 LEU 21 HD22 LEU 21 11.365 2.310 -10.861 167 HD23 LEU 21 HD23 LEU 21 9.621 2.114 -11.020 168 H LEU 22 H LEU 22 7.670 3.247 -6.855 169 HA LEU 22 HA LEU 22 8.837 4.802 -4.646 170 HB2 LEU 22 HB2 LEU 22 6.027 3.882 -5.288 171 HB3 LEU 22 HB3 LEU 22 6.450 4.772 -3.831 172 HG LEU 22 HG LEU 22 7.061 5.810 -6.612 173 HD11 LEU 22 HD11 LEU 22 5.033 7.100 -6.517 174 HD12 LEU 22 HD12 LEU 22 4.704 6.580 -4.863 175 HD13 LEU 22 HD13 LEU 22 4.579 5.428 -6.193 176 HD21 LEU 22 HD21 LEU 22 7.057 7.991 -5.301 177 HD22 LEU 22 HD22 LEU 22 8.347 6.867 -4.876 178 HD23 LEU 22 HD23 LEU 22 6.942 7.015 -3.834 179 H THR 23 H THR 23 9.761 3.639 -2.961 180 HA THR 23 HA THR 23 8.426 1.095 -2.235 181 HB THR 23 HB THR 23 10.342 0.509 -3.631 182 HG1 THR 23 HG1 THR 23 11.258 -0.908 -2.161 183 HG21 THR 23 HG21 THR 23 12.092 1.790 -1.521 184 HG22 THR 23 HG22 THR 23 11.668 2.591 -3.033 185 HG23 THR 23 HG23 THR 23 12.596 1.091 -3.060 186 H CYS 24 H CYS 24 8.577 0.367 -0.167 187 HA CYS 24 HA CYS 24 9.991 1.861 1.879 188 HB2 CYS 24 HB2 CYS 24 8.003 2.328 3.221 189 HB3 CYS 24 HB3 CYS 24 7.878 3.126 1.651 190 H GLN 25 H GLN 25 9.493 0.801 4.119 191 HA GLN 25 HA GLN 25 9.359 -2.139 3.707 192 HB2 GLN 25 HB2 GLN 25 10.899 -0.481 5.705 193 HB3 GLN 25 HB3 GLN 25 10.756 -2.235 5.798 194 HG2 GLN 25 HG2 GLN 25 11.837 -2.499 3.652 195 HG3 GLN 25 HG3 GLN 25 11.822 -0.760 3.375 196 HE21 GLN 25 HE21 GLN 25 14.166 -2.691 3.611 197 HE22 GLN 25 HE22 GLN 25 15.148 -2.028 4.829 198 H LEU 26 H LEU 26 7.577 -3.037 4.503 199 HA LEU 26 HA LEU 26 6.460 -2.033 7.034 200 HB2 LEU 26 HB2 LEU 26 4.154 -2.327 6.151 201 HB3 LEU 26 HB3 LEU 26 5.073 -1.068 5.333 202 HG LEU 26 HG LEU 26 5.703 -3.010 3.645 203 HD11 LEU 26 HD11 LEU 26 3.271 -4.073 5.094 204 HD12 LEU 26 HD12 LEU 26 4.736 -4.931 4.627 205 HD13 LEU 26 HD13 LEU 26 3.554 -4.495 3.405 206 HD21 LEU 26 HD21 LEU 26 2.996 -1.630 3.751 207 HD22 LEU 26 HD22 LEU 26 3.605 -2.470 2.325 208 HD23 LEU 26 HD23 LEU 26 4.452 -1.051 2.941 209 H LEU 27 H LEU 27 5.267 -3.563 8.284 210 HA LEU 27 HA LEU 27 5.840 -6.382 7.560 211 HB2 LEU 27 HB2 LEU 27 5.872 -5.127 10.317 212 HB3 LEU 27 HB3 LEU 27 6.117 -6.837 9.975 213 HG LEU 27 HG LEU 27 7.858 -4.643 8.799 214 HD11 LEU 27 HD11 LEU 27 7.960 -4.760 11.317 215 HD12 LEU 27 HD12 LEU 27 9.485 -5.142 10.518 216 HD13 LEU 27 HD13 LEU 27 8.480 -6.439 11.161 217 HD21 LEU 27 HD21 LEU 27 9.430 -6.623 8.510 218 HD22 LEU 27 HD22 LEU 27 7.970 -6.708 7.524 219 HD23 LEU 27 HD23 LEU 27 8.096 -7.670 8.997 220 HA PRO 28 HA PRO 28 1.234 -6.374 8.207 221 HB2 PRO 28 HB2 PRO 28 0.619 -8.440 6.616 222 HB3 PRO 28 HB3 PRO 28 1.020 -6.845 5.937 223 HG2 PRO 28 HG2 PRO 28 2.750 -9.264 6.205 224 HG3 PRO 28 HG3 PRO 28 2.547 -8.177 4.818 225 HD2 PRO 28 HD2 PRO 28 4.654 -7.970 6.541 226 HD3 PRO 28 HD3 PRO 28 3.970 -6.568 5.686 227 H LYS 29 H LYS 29 -0.152 -7.856 9.378 228 HA LYS 29 HA LYS 29 1.112 -9.496 11.315 229 HB2 LYS 29 HB2 LYS 29 -1.109 -8.490 11.693 230 HB3 LYS 29 HB3 LYS 29 -1.785 -9.443 10.377 231 HG2 LYS 29 HG2 LYS 29 -2.378 -10.555 12.440 232 HG3 LYS 29 HG3 LYS 29 -1.128 -11.527 11.671 233 HD2 LYS 29 HD2 LYS 29 0.573 -10.427 13.099 234 HD3 LYS 29 HD3 LYS 29 -0.716 -9.532 13.909 235 HE2 LYS 29 HE2 LYS 29 -0.582 -12.549 13.755 236 HE3 LYS 29 HE3 LYS 29 -0.010 -11.613 15.137 237 HZ1 LYS 29 HZ1 LYS 29 -2.345 -10.593 15.083 238 HZ2 LYS 29 HZ2 LYS 29 -2.174 -12.165 15.704 239 HZ3 LYS 29 HZ3 LYS 29 -2.767 -11.928 14.128 240 H ARG 30 H ARG 30 -0.774 -10.281 8.451 241 HA ARG 30 HA ARG 30 0.842 -12.294 7.453 242 HB2 ARG 30 HB2 ARG 30 -0.392 -14.356 7.964 243 HB3 ARG 30 HB3 ARG 30 0.177 -13.620 9.447 244 HG2 ARG 30 HG2 ARG 30 -1.974 -13.847 10.189 245 HG3 ARG 30 HG3 ARG 30 -2.312 -12.423 9.211 246 HD2 ARG 30 HD2 ARG 30 -2.930 -13.873 7.304 247 HD3 ARG 30 HD3 ARG 30 -2.569 -15.298 8.270 248 HE ARG 30 HE ARG 30 -4.456 -13.729 9.668 249 HH11 ARG 30 HH11 ARG 30 -4.272 -15.686 6.757 250 HH12 ARG 30 HH12 ARG 30 -5.954 -16.098 6.781 251 HH21 ARG 30 HH21 ARG 30 -6.649 -14.292 9.661 252 HH22 ARG 30 HH22 ARG 30 -7.289 -15.312 8.417 253 H THR 31 H THR 31 0.316 -12.414 5.388 254 HA THR 31 HA THR 31 -0.807 -12.140 3.401 255 HB THR 31 HB THR 31 -3.347 -12.703 4.939 256 HG1 THR 31 HG1 THR 31 -1.298 -14.431 4.033 257 HG21 THR 31 HG21 THR 31 -4.009 -13.737 2.797 258 HG22 THR 31 HG22 THR 31 -2.457 -13.272 2.102 259 HG23 THR 31 HG23 THR 31 -3.609 -12.030 2.596 260 H THR 32 H THR 32 -1.620 -10.456 2.226 261 HA THR 32 HA THR 32 -2.352 -8.054 3.721 262 HB THR 32 HB THR 32 -0.649 -7.816 1.995 263 HG1 THR 32 HG1 THR 32 -1.489 -6.003 1.183 264 HG21 THR 32 HG21 THR 32 -1.233 -8.105 -0.394 265 HG22 THR 32 HG22 THR 32 -2.818 -8.717 0.074 266 HG23 THR 32 HG23 THR 32 -1.364 -9.624 0.490 267 H ALA 33 H ALA 33 -4.260 -10.240 3.601 268 HA ALA 33 HA ALA 33 -6.359 -9.719 1.759 269 HB1 ALA 33 HB1 ALA 33 -6.103 -11.848 3.003 270 HB2 ALA 33 HB2 ALA 33 -7.713 -11.149 3.181 271 HB3 ALA 33 HB3 ALA 33 -6.539 -11.006 4.490 272 H HIS 34 H HIS 34 -5.726 -8.594 5.064 273 HA HIS 34 HA HIS 34 -7.977 -6.680 4.794 274 HB2 HIS 34 HB2 HIS 34 -6.838 -7.892 7.324 275 HB3 HIS 34 HB3 HIS 34 -8.116 -6.676 7.260 276 HD2 HIS 34 HD2 HIS 34 -7.813 -10.477 7.203 277 HE1 HIS 34 HE1 HIS 34 -11.618 -9.614 5.590 278 HE2 HIS 34 HE2 HIS 34 -10.123 -11.460 6.485 279 H MET 35 H MET 35 -4.915 -6.525 4.194 280 HA MET 35 HA MET 35 -4.230 -4.207 5.890 281 HB2 MET 35 HB2 MET 35 -2.470 -5.747 3.956 282 HB3 MET 35 HB3 MET 35 -1.943 -4.491 5.074 283 HG2 MET 35 HG2 MET 35 -3.174 -7.156 5.880 284 HG3 MET 35 HG3 MET 35 -1.462 -6.753 5.975 285 HE1 MET 35 HE1 MET 35 -3.556 -7.718 8.463 286 HE2 MET 35 HE2 MET 35 -2.566 -6.909 9.676 287 HE3 MET 35 HE3 MET 35 -1.790 -7.715 8.316 288 H GLU 36 H GLU 36 -3.633 -2.223 5.023 289 HA GLU 36 HA GLU 36 -4.250 -1.795 2.169 290 HB2 GLU 36 HB2 GLU 36 -6.194 -1.230 3.682 291 HB3 GLU 36 HB3 GLU 36 -5.185 0.037 4.375 292 HG2 GLU 36 HG2 GLU 36 -5.594 -0.150 1.391 293 HG3 GLU 36 HG3 GLU 36 -6.761 0.672 2.419 294 H VAL 37 H VAL 37 -2.802 -0.521 1.120 295 HA VAL 37 HA VAL 37 -0.899 1.052 2.754 296 HB VAL 37 HB VAL 37 -0.246 -0.578 0.274 297 HG11 VAL 37 HG11 VAL 37 1.128 1.449 0.382 298 HG12 VAL 37 HG12 VAL 37 2.113 0.046 0.794 299 HG13 VAL 37 HG13 VAL 37 1.528 1.116 2.067 300 HG21 VAL 37 HG21 VAL 37 1.182 -1.876 1.893 301 HG22 VAL 37 HG22 VAL 37 -0.547 -2.024 2.212 302 HG23 VAL 37 HG23 VAL 37 0.446 -0.960 3.208 303 H ARG 38 H ARG 38 -0.557 3.121 2.184 304 HA ARG 38 HA ARG 38 -1.629 4.056 -0.421 305 HB2 ARG 38 HB2 ARG 38 -1.672 5.516 2.233 306 HB3 ARG 38 HB3 ARG 38 -2.168 6.205 0.688 307 HG2 ARG 38 HG2 ARG 38 -3.853 4.350 0.481 308 HG3 ARG 38 HG3 ARG 38 -3.412 3.859 2.118 309 HD2 ARG 38 HD2 ARG 38 -4.048 6.064 2.978 310 HD3 ARG 38 HD3 ARG 38 -4.484 6.583 1.351 311 HE ARG 38 HE ARG 38 -5.902 4.209 2.025 312 HH11 ARG 38 HH11 ARG 38 -5.853 7.641 2.779 313 HH12 ARG 38 HH12 ARG 38 -7.538 7.700 3.175 314 HH21 ARG 38 HH21 ARG 38 -8.093 4.332 2.554 315 HH22 ARG 38 HH22 ARG 38 -8.796 5.833 3.055 316 H TRP 39 H TRP 39 -0.438 5.510 -1.569 317 HA TRP 39 HA TRP 39 2.199 6.328 -0.482 318 HB2 TRP 39 HB2 TRP 39 1.454 5.586 -3.327 319 HB3 TRP 39 HB3 TRP 39 2.978 6.342 -2.871 320 HD1 TRP 39 HD1 TRP 39 4.804 4.843 -1.686 321 HE1 TRP 39 HE1 TRP 39 4.999 2.312 -1.286 322 HE3 TRP 39 HE3 TRP 39 0.030 3.392 -2.808 323 HZ2 TRP 39 HZ2 TRP 39 3.363 -0.022 -1.422 324 HZ3 TRP 39 HZ3 TRP 39 -0.619 1.002 -2.663 325 HH2 TRP 39 HH2 TRP 39 1.043 -0.704 -1.971 326 H TYR 40 H TYR 40 2.725 8.475 -0.690 327 HA TYR 40 HA TYR 40 0.747 10.231 -2.046 328 HB2 TYR 40 HB2 TYR 40 2.179 10.747 0.573 329 HB3 TYR 40 HB3 TYR 40 1.136 11.894 -0.260 330 HD1 TYR 40 HD1 TYR 40 1.266 8.805 1.721 331 HD2 TYR 40 HD2 TYR 40 -1.295 11.524 -0.398 332 HE1 TYR 40 HE1 TYR 40 -0.715 7.809 2.832 333 HE2 TYR 40 HE2 TYR 40 -3.270 10.530 0.711 334 HH TYR 40 HH TYR 40 -3.000 7.684 2.787 335 H ARG 41 H ARG 41 1.557 11.949 -3.183 336 HA ARG 41 HA ARG 41 4.477 12.029 -3.538 337 HB2 ARG 41 HB2 ARG 41 4.016 13.230 -5.668 338 HB3 ARG 41 HB3 ARG 41 3.276 11.635 -5.617 339 HG2 ARG 41 HG2 ARG 41 1.124 12.789 -4.861 340 HG3 ARG 41 HG3 ARG 41 1.896 14.318 -5.268 341 HD2 ARG 41 HD2 ARG 41 2.264 13.546 -7.565 342 HD3 ARG 41 HD3 ARG 41 1.510 12.006 -7.174 343 HE ARG 41 HE ARG 41 -0.589 13.057 -7.195 344 HH11 ARG 41 HH11 ARG 41 1.954 15.466 -7.474 345 HH12 ARG 41 HH12 ARG 41 0.866 16.742 -7.907 346 HH21 ARG 41 HH21 ARG 41 -1.973 14.748 -7.767 347 HH22 ARG 41 HH22 ARG 41 -1.345 16.332 -8.083 348 H SER 42 H SER 42 4.792 13.128 -1.571 349 HA SER 42 HA SER 42 5.139 14.967 -0.244 350 HB2 SER 42 HB2 SER 42 4.875 16.444 -2.872 351 HB3 SER 42 HB3 SER 42 5.504 17.124 -1.376 352 HG SER 42 HG SER 42 7.059 16.208 -2.960 353 H ASP 43 H ASP 43 2.291 14.073 -1.133 354 HA ASP 43 HA ASP 43 0.897 16.350 0.078 355 HB2 ASP 43 HB2 ASP 43 -0.081 14.755 -2.310 356 HB3 ASP 43 HB3 ASP 43 -1.009 15.984 -1.449 357 HA PRO 44 HA PRO 44 0.231 12.345 2.496 358 HB2 PRO 44 HB2 PRO 44 -0.458 14.446 4.509 359 HB3 PRO 44 HB3 PRO 44 0.490 12.952 4.705 360 HG2 PRO 44 HG2 PRO 44 1.736 15.251 4.599 361 HG3 PRO 44 HG3 PRO 44 2.377 13.860 3.698 362 HD2 PRO 44 HD2 PRO 44 0.852 16.227 2.653 363 HD3 PRO 44 HD3 PRO 44 2.252 15.386 1.942 364 H ASP 45 H ASP 45 -1.748 15.243 2.124 365 HA ASP 45 HA ASP 45 -4.208 13.881 2.903 366 HB2 ASP 45 HB2 ASP 45 -3.760 16.704 1.920 367 HB3 ASP 45 HB3 ASP 45 -5.270 16.064 2.565 368 H MET 46 H MET 46 -2.455 13.907 0.078 369 HA MET 46 HA MET 46 -4.877 13.486 -1.559 370 HB2 MET 46 HB2 MET 46 -3.795 15.686 -2.091 371 HB3 MET 46 HB3 MET 46 -2.339 14.807 -2.542 372 HG2 MET 46 HG2 MET 46 -3.630 15.278 -4.556 373 HG3 MET 46 HG3 MET 46 -3.645 13.544 -4.247 374 HE1 MET 46 HE1 MET 46 -5.133 16.774 -3.268 375 HE2 MET 46 HE2 MET 46 -6.876 16.564 -3.147 376 HE3 MET 46 HE3 MET 46 -6.128 16.735 -4.731 377 HA PRO 47 HA PRO 47 -2.208 9.658 -1.861 378 HB2 PRO 47 HB2 PRO 47 -4.228 7.873 -2.103 379 HB3 PRO 47 HB3 PRO 47 -3.705 8.504 -0.528 380 HG2 PRO 47 HG2 PRO 47 -6.013 9.348 -2.220 381 HG3 PRO 47 HG3 PRO 47 -5.950 9.052 -0.472 382 HD2 PRO 47 HD2 PRO 47 -5.852 11.558 -1.491 383 HD3 PRO 47 HD3 PRO 47 -4.969 11.111 -0.011 384 H VAL 48 H VAL 48 -1.659 8.451 -3.712 385 HA VAL 48 HA VAL 48 -2.833 9.383 -6.239 386 HB VAL 48 HB VAL 48 -0.341 7.710 -5.729 387 HG11 VAL 48 HG11 VAL 48 -1.194 9.131 -8.270 388 HG12 VAL 48 HG12 VAL 48 -1.414 7.403 -7.992 389 HG13 VAL 48 HG13 VAL 48 0.211 8.086 -8.054 390 HG21 VAL 48 HG21 VAL 48 -0.271 10.090 -4.886 391 HG22 VAL 48 HG22 VAL 48 -0.573 10.628 -6.539 392 HG23 VAL 48 HG23 VAL 48 0.908 9.751 -6.155 393 H ILE 49 H ILE 49 -1.883 6.290 -4.736 394 HA ILE 49 HA ILE 49 -4.293 4.994 -5.691 395 HB ILE 49 HB ILE 49 -2.680 4.837 -7.619 396 HG12 ILE 49 HG12 ILE 49 -2.897 2.324 -7.894 397 HG13 ILE 49 HG13 ILE 49 -3.548 2.250 -6.255 398 HG21 ILE 49 HG21 ILE 49 -0.811 3.161 -7.362 399 HG22 ILE 49 HG22 ILE 49 -1.060 3.248 -5.621 400 HG23 ILE 49 HG23 ILE 49 -0.562 4.686 -6.513 401 HD11 ILE 49 HD11 ILE 49 -4.712 4.016 -8.428 402 HD12 ILE 49 HD12 ILE 49 -5.430 3.628 -6.865 403 HD13 ILE 49 HD13 ILE 49 -5.287 2.381 -8.103 404 H MET 50 H MET 50 -4.710 2.976 -4.630 405 HA MET 50 HA MET 50 -2.976 2.466 -2.284 406 HB2 MET 50 HB2 MET 50 -4.999 2.055 -0.942 407 HB3 MET 50 HB3 MET 50 -4.913 3.721 -1.516 408 HG2 MET 50 HG2 MET 50 -6.446 3.109 -3.389 409 HG3 MET 50 HG3 MET 50 -6.570 1.481 -2.726 410 HE1 MET 50 HE1 MET 50 -7.369 0.787 -0.759 411 HE2 MET 50 HE2 MET 50 -8.624 1.526 0.229 412 HE3 MET 50 HE3 MET 50 -6.934 1.884 0.560 413 H TYR 51 H TYR 51 -2.962 0.408 -1.410 414 HA TYR 51 HA TYR 51 -3.893 -1.748 -3.217 415 HB2 TYR 51 HB2 TYR 51 -1.403 -1.328 -3.136 416 HB3 TYR 51 HB3 TYR 51 -1.446 -1.776 -1.437 417 HD1 TYR 51 HD1 TYR 51 -2.245 -3.007 -4.859 418 HD2 TYR 51 HD2 TYR 51 -1.442 -4.066 -0.779 419 HE1 TYR 51 HE1 TYR 51 -2.114 -5.397 -5.506 420 HE2 TYR 51 HE2 TYR 51 -1.311 -6.455 -1.423 421 HH TYR 51 HH TYR 51 -0.884 -7.802 -3.410 422 H ARG 52 H ARG 52 -5.575 -2.750 -2.244 423 HA ARG 52 HA ARG 52 -5.337 -3.441 0.615 424 HB2 ARG 52 HB2 ARG 52 -6.820 -1.429 0.295 425 HB3 ARG 52 HB3 ARG 52 -7.901 -2.453 -0.646 426 HG2 ARG 52 HG2 ARG 52 -8.203 -3.952 1.273 427 HG3 ARG 52 HG3 ARG 52 -7.084 -2.978 2.228 428 HD2 ARG 52 HD2 ARG 52 -8.582 -1.025 1.979 429 HD3 ARG 52 HD3 ARG 52 -9.712 -2.016 1.059 430 HE ARG 52 HE ARG 52 -9.226 -3.295 3.525 431 HH11 ARG 52 HH11 ARG 52 -10.770 -0.375 2.330 432 HH12 ARG 52 HH12 ARG 52 -11.897 -0.286 3.644 433 HH21 ARG 52 HH21 ARG 52 -10.712 -3.142 5.223 434 HH22 ARG 52 HH22 ARG 52 -11.860 -1.846 5.271 435 H ASP 53 H ASP 53 -6.047 -5.418 1.196 436 HA ASP 53 HA ASP 53 -6.661 -7.622 0.972 437 HB2 ASP 53 HB2 ASP 53 -8.877 -6.411 0.670 438 HB3 ASP 53 HB3 ASP 53 -8.665 -6.629 -1.064 439 H GLY 54 H GLY 54 -4.471 -6.844 -0.569 440 HA2 GLY 54 HA2 GLY 54 -3.054 -7.827 -2.104 441 HA3 GLY 54 HA3 GLY 54 -4.276 -9.069 -2.335 442 H ALA 55 H ALA 55 -5.509 -5.912 -2.902 443 HA ALA 55 HA ALA 55 -4.835 -5.913 -5.758 444 HB1 ALA 55 HB1 ALA 55 -6.815 -7.312 -5.698 445 HB2 ALA 55 HB2 ALA 55 -7.227 -5.751 -6.407 446 HB3 ALA 55 HB3 ALA 55 -7.677 -6.108 -4.740 447 H GLU 56 H GLU 56 -5.194 -3.939 -6.823 448 HA GLU 56 HA GLU 56 -5.133 -1.617 -5.097 449 HB2 GLU 56 HB2 GLU 56 -4.897 -1.927 -8.092 450 HB3 GLU 56 HB3 GLU 56 -4.834 -0.371 -7.266 451 HG2 GLU 56 HG2 GLU 56 -2.900 -1.062 -5.973 452 HG3 GLU 56 HG3 GLU 56 -3.014 -2.699 -6.608 453 H VAL 57 H VAL 57 -6.521 0.208 -5.258 454 HA VAL 57 HA VAL 57 -9.258 -0.418 -5.224 455 HB VAL 57 HB VAL 57 -8.281 1.477 -3.994 456 HG11 VAL 57 HG11 VAL 57 -7.961 2.708 -6.744 457 HG12 VAL 57 HG12 VAL 57 -6.669 2.276 -5.624 458 HG13 VAL 57 HG13 VAL 57 -7.778 3.589 -5.226 459 HG21 VAL 57 HG21 VAL 57 -10.114 2.986 -4.261 460 HG22 VAL 57 HG22 VAL 57 -10.750 1.407 -4.724 461 HG23 VAL 57 HG23 VAL 57 -10.304 2.577 -5.966 462 H THR 58 H THR 58 -10.911 -0.228 -6.645 463 HA THR 58 HA THR 58 -10.278 0.585 -9.420 464 HB THR 58 HB THR 58 -12.124 -1.672 -8.556 465 HG1 THR 58 HG1 THR 58 -9.994 -2.279 -8.334 466 HG21 THR 58 HG21 THR 58 -12.399 -2.128 -10.905 467 HG22 THR 58 HG22 THR 58 -11.187 -0.922 -11.339 468 HG23 THR 58 HG23 THR 58 -12.739 -0.412 -10.672 469 H GLY 59 H GLY 59 -11.565 2.125 -10.239 470 HA2 GLY 59 HA2 GLY 59 -14.065 2.805 -8.797 471 HA3 GLY 59 HA3 GLY 59 -13.014 3.998 -9.551 472 H LEU 60 H LEU 60 -13.728 4.752 -11.406 473 HA LEU 60 HA LEU 60 -15.876 3.539 -12.853 474 HB2 LEU 60 HB2 LEU 60 -15.702 5.449 -14.364 475 HB3 LEU 60 HB3 LEU 60 -15.689 5.996 -12.701 476 HG LEU 60 HG LEU 60 -12.974 5.452 -13.873 477 HD11 LEU 60 HD11 LEU 60 -12.962 7.734 -14.982 478 HD12 LEU 60 HD12 LEU 60 -14.722 7.716 -14.865 479 HD13 LEU 60 HD13 LEU 60 -13.890 6.492 -15.825 480 HD21 LEU 60 HD21 LEU 60 -13.741 8.062 -12.560 481 HD22 LEU 60 HD22 LEU 60 -12.286 7.095 -12.365 482 HD23 LEU 60 HD23 LEU 60 -13.767 6.620 -11.552 483 HA PRO 61 HA PRO 61 -13.987 0.982 -15.897 484 HB2 PRO 61 HB2 PRO 61 -14.757 2.901 -18.065 485 HB3 PRO 61 HB3 PRO 61 -14.988 1.139 -17.984 486 HG2 PRO 61 HG2 PRO 61 -17.029 2.701 -17.531 487 HG3 PRO 61 HG3 PRO 61 -16.744 1.311 -16.463 488 HD2 PRO 61 HD2 PRO 61 -16.198 4.214 -15.950 489 HD3 PRO 61 HD3 PRO 61 -16.830 2.977 -14.834 490 H MET 62 H MET 62 -13.330 4.437 -16.441 491 HA MET 62 HA MET 62 -10.722 3.903 -17.636 492 HB2 MET 62 HB2 MET 62 -12.139 5.827 -18.395 493 HB3 MET 62 HB3 MET 62 -11.955 6.548 -16.797 494 HG2 MET 62 HG2 MET 62 -9.513 6.632 -17.095 495 HG3 MET 62 HG3 MET 62 -9.670 5.876 -18.680 496 HE1 MET 62 HE1 MET 62 -10.702 10.092 -17.330 497 HE2 MET 62 HE2 MET 62 -10.199 8.696 -16.382 498 HE3 MET 62 HE3 MET 62 -11.872 8.830 -16.914 499 H GLU 63 H GLU 63 -9.116 3.297 -16.327 500 HA GLU 63 HA GLU 63 -9.147 4.053 -13.516 501 HB2 GLU 63 HB2 GLU 63 -8.594 1.702 -14.505 502 HB3 GLU 63 HB3 GLU 63 -7.003 2.389 -14.827 503 HG2 GLU 63 HG2 GLU 63 -6.889 1.334 -12.660 504 HG3 GLU 63 HG3 GLU 63 -6.905 3.075 -12.404 505 H GLY 64 H GLY 64 -8.711 6.280 -13.701 506 HA2 GLY 64 HA2 GLY 64 -6.552 7.438 -15.085 507 HA3 GLY 64 HA3 GLY 64 -7.414 8.173 -13.742 508 H TYR 65 H TYR 65 -6.803 6.293 -11.722 509 HA TYR 65 HA TYR 65 -4.007 7.027 -11.215 510 HB2 TYR 65 HB2 TYR 65 -6.158 5.949 -9.403 511 HB3 TYR 65 HB3 TYR 65 -4.519 6.333 -8.883 512 HD1 TYR 65 HD1 TYR 65 -7.749 7.705 -9.968 513 HD2 TYR 65 HD2 TYR 65 -3.712 8.663 -8.855 514 HE1 TYR 65 HE1 TYR 65 -8.387 10.088 -9.707 515 HE2 TYR 65 HE2 TYR 65 -4.349 11.046 -8.593 516 HH TYR 65 HH TYR 65 -7.427 12.104 -8.296 517 H GLY 66 H GLY 66 -6.072 4.148 -10.923 518 HA2 GLY 66 HA2 GLY 66 -4.076 2.323 -10.199 519 HA3 GLY 66 HA3 GLY 66 -5.614 1.897 -10.933 520 H GLY 67 H GLY 67 -5.265 3.248 -13.421 521 HA2 GLY 67 HA2 GLY 67 -3.921 1.277 -14.914 522 HA3 GLY 67 HA3 GLY 67 -4.436 2.844 -15.532 523 H ARG 68 H ARG 68 -2.935 4.524 -13.886 524 HA ARG 68 HA ARG 68 -0.403 4.451 -15.220 525 HB2 ARG 68 HB2 ARG 68 -1.749 6.306 -13.296 526 HB3 ARG 68 HB3 ARG 68 -0.003 6.428 -13.480 527 HG2 ARG 68 HG2 ARG 68 -1.065 7.978 -15.050 528 HG3 ARG 68 HG3 ARG 68 -0.321 6.670 -15.964 529 HD2 ARG 68 HD2 ARG 68 -2.417 5.637 -16.404 530 HD3 ARG 68 HD3 ARG 68 -3.236 6.570 -15.162 531 HE ARG 68 HE ARG 68 -2.226 8.396 -17.034 532 HH11 ARG 68 HH11 ARG 68 -4.574 5.783 -16.988 533 HH12 ARG 68 HH12 ARG 68 -5.550 6.472 -18.243 534 HH21 ARG 68 HH21 ARG 68 -3.534 9.268 -18.662 535 HH22 ARG 68 HH22 ARG 68 -4.961 8.436 -19.183 536 H ALA 69 H ALA 69 -1.418 3.742 -11.857 537 HA ALA 69 HA ALA 69 1.352 2.892 -11.308 538 HB1 ALA 69 HB1 ALA 69 0.821 4.632 -9.806 539 HB2 ALA 69 HB2 ALA 69 0.626 3.143 -8.883 540 HB3 ALA 69 HB3 ALA 69 -0.793 3.988 -9.504 541 H GLU 70 H GLU 70 1.758 0.840 -10.870 542 HA GLU 70 HA GLU 70 -0.420 -0.923 -9.983 543 HB2 GLU 70 HB2 GLU 70 0.368 -2.718 -11.492 544 HB3 GLU 70 HB3 GLU 70 -0.194 -1.318 -12.401 545 HG2 GLU 70 HG2 GLU 70 2.730 -1.424 -11.715 546 HG3 GLU 70 HG3 GLU 70 2.142 -2.527 -12.948 547 H TRP 71 H TRP 71 0.214 -2.589 -8.615 548 HA TRP 71 HA TRP 71 2.559 -2.015 -7.089 549 HB2 TRP 71 HB2 TRP 71 1.844 -3.896 -5.649 550 HB3 TRP 71 HB3 TRP 71 0.536 -2.756 -5.958 551 HD1 TRP 71 HD1 TRP 71 -1.463 -3.555 -7.507 552 HE1 TRP 71 HE1 TRP 71 -2.243 -5.894 -8.265 553 HE3 TRP 71 HE3 TRP 71 2.675 -6.300 -6.311 554 HZ2 TRP 71 HZ2 TRP 71 -1.246 -8.568 -8.354 555 HZ3 TRP 71 HZ3 TRP 71 2.732 -8.741 -6.744 556 HH2 TRP 71 HH2 TRP 71 0.776 -9.877 -7.764 557 H MET 72 H MET 72 4.450 -2.955 -6.945 558 HA MET 72 HA MET 72 4.963 -5.479 -8.356 559 HB2 MET 72 HB2 MET 72 5.691 -3.567 -9.813 560 HB3 MET 72 HB3 MET 72 6.788 -3.059 -8.530 561 HG2 MET 72 HG2 MET 72 7.962 -5.210 -8.646 562 HG3 MET 72 HG3 MET 72 6.835 -5.776 -9.878 563 HE1 MET 72 HE1 MET 72 10.208 -5.273 -11.755 564 HE2 MET 72 HE2 MET 72 8.831 -6.350 -11.551 565 HE3 MET 72 HE3 MET 72 9.821 -5.933 -10.157 566 H GLU 73 H GLU 73 5.315 -6.729 -6.599 567 HA GLU 73 HA GLU 73 6.425 -5.872 -4.153 568 HB2 GLU 73 HB2 GLU 73 5.033 -7.943 -4.501 569 HB3 GLU 73 HB3 GLU 73 6.456 -8.705 -5.212 570 HG2 GLU 73 HG2 GLU 73 7.718 -8.334 -3.132 571 HG3 GLU 73 HG3 GLU 73 6.323 -7.534 -2.410 572 H ASP 74 H ASP 74 8.445 -5.798 -3.354 573 HA ASP 74 HA ASP 74 10.654 -5.567 -5.084 574 HB2 ASP 74 HB2 ASP 74 10.466 -5.847 -2.082 575 HB3 ASP 74 HB3 ASP 74 11.995 -5.608 -2.921 576 H SER 75 H SER 75 12.429 -6.853 -5.442 577 HA SER 75 HA SER 75 12.010 -9.622 -5.711 578 HB2 SER 75 HB2 SER 75 14.558 -8.000 -5.780 579 HB3 SER 75 HB3 SER 75 14.459 -9.702 -6.214 580 HG SER 75 HG SER 75 13.453 -7.433 -7.503 581 H THR 76 H THR 76 13.646 -7.732 -3.214 582 HA THR 76 HA THR 76 14.947 -9.813 -1.853 583 HB THR 76 HB THR 76 13.808 -7.236 -0.700 584 HG1 THR 76 HG1 THR 76 15.221 -6.826 -2.393 585 HG21 THR 76 HG21 THR 76 14.586 -9.099 0.908 586 HG22 THR 76 HG22 THR 76 15.325 -7.512 1.107 587 HG23 THR 76 HG23 THR 76 16.206 -8.797 0.281 588 H GLU 77 H GLU 77 11.638 -8.563 -1.571 589 HA GLU 77 HA GLU 77 9.775 -9.323 -0.464 590 HB2 GLU 77 HB2 GLU 77 11.181 -11.990 -0.813 591 HB3 GLU 77 HB3 GLU 77 9.482 -11.784 -0.391 592 HG2 GLU 77 HG2 GLU 77 9.110 -10.556 -2.507 593 HG3 GLU 77 HG3 GLU 77 10.804 -10.795 -2.936 594 H GLU 78 H GLU 78 11.922 -8.350 1.171 595 HA GLU 78 HA GLU 78 11.688 -10.019 3.602 596 HB2 GLU 78 HB2 GLU 78 13.782 -8.096 2.611 597 HB3 GLU 78 HB3 GLU 78 13.583 -8.307 4.347 598 HG2 GLU 78 HG2 GLU 78 13.990 -10.612 2.419 599 HG3 GLU 78 HG3 GLU 78 15.301 -9.843 3.311 600 H GLY 79 H GLY 79 9.419 -8.754 3.041 601 HA2 GLY 79 HA2 GLY 79 7.818 -7.525 4.193 602 HA3 GLY 79 HA3 GLY 79 9.081 -6.946 5.271 603 H SER 80 H SER 80 9.703 -6.561 1.894 604 HA SER 80 HA SER 80 9.112 -3.669 2.096 605 HB2 SER 80 HB2 SER 80 11.145 -5.118 0.382 606 HB3 SER 80 HB3 SER 80 10.857 -3.382 0.381 607 HG SER 80 HG SER 80 11.757 -5.015 2.527 608 H VAL 81 H VAL 81 8.032 -2.658 0.460 609 HA VAL 81 HA VAL 81 7.024 -4.304 -1.771 610 HB VAL 81 HB VAL 81 4.826 -3.171 -1.579 611 HG11 VAL 81 HG11 VAL 81 4.008 -4.493 0.247 612 HG12 VAL 81 HG12 VAL 81 5.585 -4.483 1.039 613 HG13 VAL 81 HG13 VAL 81 5.357 -5.382 -0.462 614 HG21 VAL 81 HG21 VAL 81 5.737 -1.148 -0.335 615 HG22 VAL 81 HG22 VAL 81 5.834 -2.160 1.106 616 HG23 VAL 81 HG23 VAL 81 4.268 -1.828 0.366 617 H ALA 82 H ALA 82 6.333 -3.053 -3.643 618 HA ALA 82 HA ALA 82 7.378 -0.320 -3.778 619 HB1 ALA 82 HB1 ALA 82 8.476 -2.673 -5.216 620 HB2 ALA 82 HB2 ALA 82 9.286 -1.213 -4.655 621 HB3 ALA 82 HB3 ALA 82 8.332 -1.175 -6.136 622 H LEU 83 H LEU 83 6.478 0.951 -5.411 623 HA LEU 83 HA LEU 83 4.177 -0.207 -6.850 624 HB2 LEU 83 HB2 LEU 83 3.411 1.307 -5.052 625 HB3 LEU 83 HB3 LEU 83 4.442 2.587 -5.676 626 HG LEU 83 HG LEU 83 3.136 2.465 -7.859 627 HD11 LEU 83 HD11 LEU 83 1.174 0.829 -6.225 628 HD12 LEU 83 HD12 LEU 83 2.239 0.141 -7.448 629 HD13 LEU 83 HD13 LEU 83 1.013 1.317 -7.910 630 HD21 LEU 83 HD21 LEU 83 2.687 4.069 -5.875 631 HD22 LEU 83 HD22 LEU 83 1.301 3.040 -5.518 632 HD23 LEU 83 HD23 LEU 83 1.406 3.877 -7.068 633 H LYS 84 H LYS 84 4.374 -0.129 -8.976 634 HA LYS 84 HA LYS 84 6.472 1.486 -10.200 635 HB2 LYS 84 HB2 LYS 84 6.209 -0.914 -10.799 636 HB3 LYS 84 HB3 LYS 84 4.605 -0.563 -11.424 637 HG2 LYS 84 HG2 LYS 84 5.555 0.971 -13.094 638 HG3 LYS 84 HG3 LYS 84 7.173 0.694 -12.447 639 HD2 LYS 84 HD2 LYS 84 6.985 -1.707 -13.003 640 HD3 LYS 84 HD3 LYS 84 5.380 -1.420 -13.676 641 HE2 LYS 84 HE2 LYS 84 7.917 -0.080 -14.656 642 HE3 LYS 84 HE3 LYS 84 7.161 -1.473 -15.427 643 HZ1 LYS 84 HZ1 LYS 84 6.229 1.304 -15.278 644 HZ2 LYS 84 HZ2 LYS 84 5.073 0.061 -15.358 645 HZ3 LYS 84 HZ3 LYS 84 6.226 0.235 -16.594 646 H ILE 85 H ILE 85 6.054 3.449 -10.926 647 HA ILE 85 HA ILE 85 3.320 4.101 -11.846 648 HB ILE 85 HB ILE 85 3.856 5.244 -9.735 649 HG12 ILE 85 HG12 ILE 85 4.012 7.301 -11.966 650 HG13 ILE 85 HG13 ILE 85 2.542 6.381 -11.647 651 HG21 ILE 85 HG21 ILE 85 6.154 5.455 -9.571 652 HG22 ILE 85 HG22 ILE 85 5.710 7.108 -9.975 653 HG23 ILE 85 HG23 ILE 85 6.345 6.036 -11.218 654 HD11 ILE 85 HD11 ILE 85 3.987 8.093 -9.601 655 HD12 ILE 85 HD12 ILE 85 2.467 7.233 -9.353 656 HD13 ILE 85 HD13 ILE 85 2.542 8.584 -10.484 657 H ARG 86 H ARG 86 3.078 4.976 -13.809 658 HA ARG 86 HA ARG 86 5.447 5.079 -15.518 659 HB2 ARG 86 HB2 ARG 86 2.496 4.980 -16.140 660 HB3 ARG 86 HB3 ARG 86 3.764 5.070 -17.363 661 HG2 ARG 86 HG2 ARG 86 4.717 2.970 -16.613 662 HG3 ARG 86 HG3 ARG 86 3.600 2.904 -15.249 663 HD2 ARG 86 HD2 ARG 86 1.695 2.772 -16.801 664 HD3 ARG 86 HD3 ARG 86 2.794 2.860 -18.173 665 HE ARG 86 HE ARG 86 3.645 0.702 -16.626 666 HH11 ARG 86 HH11 ARG 86 0.734 1.580 -18.387 667 HH12 ARG 86 HH12 ARG 86 0.294 -0.061 -18.721 668 HH21 ARG 86 HH21 ARG 86 3.034 -1.427 -17.087 669 HH22 ARG 86 HH22 ARG 86 1.590 -1.752 -17.987 670 H GLN 87 H GLN 87 5.974 6.739 -16.858 671 HA GLN 87 HA GLN 87 6.330 8.893 -17.498 672 HB2 GLN 87 HB2 GLN 87 3.309 9.074 -17.252 673 HB3 GLN 87 HB3 GLN 87 4.338 10.138 -18.206 674 HG2 GLN 87 HG2 GLN 87 3.926 7.155 -18.647 675 HG3 GLN 87 HG3 GLN 87 3.333 8.449 -19.680 676 HE21 GLN 87 HE21 GLN 87 5.724 6.166 -19.525 677 HE22 GLN 87 HE22 GLN 87 6.936 6.938 -20.424 678 H VAL 88 H VAL 88 7.079 8.741 -14.977 679 HA VAL 88 HA VAL 88 5.763 10.582 -13.213 680 HB VAL 88 HB VAL 88 8.603 9.498 -13.076 681 HG11 VAL 88 HG11 VAL 88 6.858 10.623 -10.871 682 HG12 VAL 88 HG12 VAL 88 8.093 11.569 -11.706 683 HG13 VAL 88 HG13 VAL 88 8.553 10.159 -10.750 684 HG21 VAL 88 HG21 VAL 88 7.472 7.990 -11.305 685 HG22 VAL 88 HG22 VAL 88 7.124 7.624 -12.992 686 HG23 VAL 88 HG23 VAL 88 5.944 8.497 -12.020 687 H GLN 89 H GLN 89 6.196 12.713 -12.830 688 HA GLN 89 HA GLN 89 8.109 14.064 -14.636 689 HB2 GLN 89 HB2 GLN 89 6.069 15.965 -14.324 690 HB3 GLN 89 HB3 GLN 89 6.378 15.010 -15.761 691 HG2 GLN 89 HG2 GLN 89 4.090 14.654 -15.364 692 HG3 GLN 89 HG3 GLN 89 4.790 13.234 -14.608 693 HE21 GLN 89 HE21 GLN 89 5.657 14.215 -12.131 694 HE22 GLN 89 HE22 GLN 89 4.338 14.839 -11.272 695 HA PRO 90 HA PRO 90 9.912 16.702 -11.591 696 HB2 PRO 90 HB2 PRO 90 8.369 19.082 -12.542 697 HB3 PRO 90 HB3 PRO 90 10.108 18.918 -12.207 698 HG2 PRO 90 HG2 PRO 90 9.297 18.907 -14.682 699 HG3 PRO 90 HG3 PRO 90 10.498 17.709 -14.158 700 HD2 PRO 90 HD2 PRO 90 7.574 17.328 -14.675 701 HD3 PRO 90 HD3 PRO 90 8.933 16.243 -15.051 702 H SER 91 H SER 91 6.399 17.429 -11.901 703 HA SER 91 HA SER 91 6.101 18.516 -9.307 704 HB2 SER 91 HB2 SER 91 3.697 18.154 -9.578 705 HB3 SER 91 HB3 SER 91 4.392 18.795 -11.061 706 HG SER 91 HG SER 91 3.103 17.074 -11.603 707 H ASP 92 H ASP 92 6.158 15.186 -10.455 708 HA ASP 92 HA ASP 92 5.232 13.953 -8.038 709 HB2 ASP 92 HB2 ASP 92 6.847 12.927 -10.369 710 HB3 ASP 92 HB3 ASP 92 6.468 11.920 -8.993 711 H ASP 93 H ASP 93 8.377 14.945 -9.260 712 HA ASP 93 HA ASP 93 10.137 13.711 -7.543 713 HB2 ASP 93 HB2 ASP 93 10.721 15.209 -9.455 714 HB3 ASP 93 HB3 ASP 93 10.314 16.589 -8.447 715 H GLY 94 H GLY 94 10.533 13.729 -5.455 716 HA2 GLY 94 HA2 GLY 94 10.716 15.629 -3.578 717 HA3 GLY 94 HA3 GLY 94 8.967 15.403 -3.675 718 H GLN 95 H GLN 95 8.796 14.521 -1.599 719 HA GLN 95 HA GLN 95 10.012 11.841 -1.232 720 HB2 GLN 95 HB2 GLN 95 9.629 12.198 1.232 721 HB3 GLN 95 HB3 GLN 95 10.816 13.288 0.524 722 HG2 GLN 95 HG2 GLN 95 7.918 14.111 0.742 723 HG3 GLN 95 HG3 GLN 95 9.009 14.294 2.113 724 HE21 GLN 95 HE21 GLN 95 11.357 15.198 1.066 725 HE22 GLN 95 HE22 GLN 95 11.135 16.620 0.167 726 H TYR 96 H TYR 96 8.724 10.128 -0.561 727 HA TYR 96 HA TYR 96 5.810 10.617 -0.692 728 HB2 TYR 96 HB2 TYR 96 7.322 8.153 -1.581 729 HB3 TYR 96 HB3 TYR 96 5.582 8.345 -1.614 730 HD1 TYR 96 HD1 TYR 96 8.756 9.794 -2.950 731 HD2 TYR 96 HD2 TYR 96 4.520 9.345 -3.487 732 HE1 TYR 96 HE1 TYR 96 8.934 10.762 -5.227 733 HE2 TYR 96 HE2 TYR 96 4.704 10.322 -5.754 734 HH TYR 96 HH TYR 96 6.355 11.894 -6.948 735 H TRP 97 H TRP 97 4.570 9.834 0.921 736 HA TRP 97 HA TRP 97 5.926 8.559 3.122 737 HB2 TRP 97 HB2 TRP 97 3.204 9.843 2.909 738 HB3 TRP 97 HB3 TRP 97 3.790 9.028 4.361 739 HD1 TRP 97 HD1 TRP 97 5.104 11.786 1.965 740 HE1 TRP 97 HE1 TRP 97 6.260 13.593 3.393 741 HE3 TRP 97 HE3 TRP 97 4.540 9.740 6.616 742 HZ2 TRP 97 HZ2 TRP 97 6.858 14.109 6.137 743 HZ3 TRP 97 HZ3 TRP 97 5.410 10.916 8.618 744 HH2 TRP 97 HH2 TRP 97 6.568 13.098 8.383 745 H CYS 98 H CYS 98 5.629 6.537 3.776 746 HA CYS 98 HA CYS 98 3.774 4.837 2.237 747 HB2 CYS 98 HB2 CYS 98 6.166 4.197 2.224 748 HB3 CYS 98 HB3 CYS 98 6.132 4.083 3.981 749 H ARG 99 H ARG 99 1.881 4.498 3.211 750 HA ARG 99 HA ARG 99 1.753 4.491 6.155 751 HB2 ARG 99 HB2 ARG 99 0.496 6.300 5.060 752 HB3 ARG 99 HB3 ARG 99 -0.383 5.121 4.095 753 HG2 ARG 99 HG2 ARG 99 -1.365 4.153 6.140 754 HG3 ARG 99 HG3 ARG 99 -0.457 5.297 7.129 755 HD2 ARG 99 HD2 ARG 99 -1.620 7.176 6.100 756 HD3 ARG 99 HD3 ARG 99 -2.461 6.090 4.998 757 HE ARG 99 HE ARG 99 -3.005 5.274 7.646 758 HH11 ARG 99 HH11 ARG 99 -3.701 7.995 5.533 759 HH12 ARG 99 HH12 ARG 99 -5.213 8.357 6.295 760 HH21 ARG 99 HH21 ARG 99 -5.006 5.755 8.580 761 HH22 ARG 99 HH22 ARG 99 -5.944 7.096 8.014 762 H PHE 100 H PHE 100 1.290 2.664 7.139 763 HA PHE 100 HA PHE 100 0.036 0.422 5.654 764 HB2 PHE 100 HB2 PHE 100 2.308 0.026 6.684 765 HB3 PHE 100 HB3 PHE 100 1.596 0.351 8.262 766 HD1 PHE 100 HD1 PHE 100 1.592 -1.940 5.358 767 HD2 PHE 100 HD2 PHE 100 0.160 -1.260 9.350 768 HE1 PHE 100 HE1 PHE 100 0.827 -4.293 5.481 769 HE2 PHE 100 HE2 PHE 100 -0.606 -3.615 9.473 770 HZ PHE 100 HZ PHE 100 -0.271 -5.131 7.539 771 H GLN 101 H GLN 101 -2.105 0.228 6.067 772 HA GLN 101 HA GLN 101 -3.105 1.270 8.652 773 HB2 GLN 101 HB2 GLN 101 -3.769 2.571 6.635 774 HB3 GLN 101 HB3 GLN 101 -4.605 1.143 6.034 775 HG2 GLN 101 HG2 GLN 101 -6.050 1.120 8.023 776 HG3 GLN 101 HG3 GLN 101 -5.196 2.515 8.678 777 HE21 GLN 101 HE21 GLN 101 -8.105 2.147 7.724 778 HE22 GLN 101 HE22 GLN 101 -8.342 3.424 6.631 779 H GLU 102 H GLU 102 -4.179 0.038 9.951 780 HA GLU 102 HA GLU 102 -5.665 -2.286 9.014 781 HB2 GLU 102 HB2 GLU 102 -3.442 -3.197 9.649 782 HB3 GLU 102 HB3 GLU 102 -3.599 -2.454 11.238 783 HG2 GLU 102 HG2 GLU 102 -4.227 -4.826 11.372 784 HG3 GLU 102 HG3 GLU 102 -5.638 -3.817 11.663 785 H GLY 103 H GLY 103 -7.648 -2.097 9.867 786 HA2 GLY 103 HA2 GLY 103 -9.394 -1.471 11.235 787 HA3 GLY 103 HA3 GLY 103 -8.261 -1.616 12.578 788 H ASP 104 H ASP 104 -8.446 0.201 13.753 789 HA ASP 104 HA ASP 104 -8.665 2.808 12.390 790 HB2 ASP 104 HB2 ASP 104 -9.383 3.696 14.545 791 HB3 ASP 104 HB3 ASP 104 -10.359 2.300 14.104 792 H TYR 105 H TYR 105 -6.138 1.025 13.061 793 HA TYR 105 HA TYR 105 -4.508 3.238 14.158 794 HB2 TYR 105 HB2 TYR 105 -4.799 1.431 15.832 795 HB3 TYR 105 HB3 TYR 105 -4.164 0.266 14.677 796 HD1 TYR 105 HD1 TYR 105 -3.309 3.333 16.621 797 HD2 TYR 105 HD2 TYR 105 -1.814 -0.002 14.366 798 HE1 TYR 105 HE1 TYR 105 -0.999 3.875 17.348 799 HE2 TYR 105 HE2 TYR 105 0.491 0.539 15.089 800 HH TYR 105 HH TYR 105 1.775 2.341 15.944 801 H TRP 106 H TRP 106 -2.763 3.805 12.954 802 HA TRP 106 HA TRP 106 -1.622 1.922 11.029 803 HB2 TRP 106 HB2 TRP 106 -1.812 3.500 9.134 804 HB3 TRP 106 HB3 TRP 106 -3.404 3.038 9.742 805 HD1 TRP 106 HD1 TRP 106 -1.057 5.982 9.370 806 HE1 TRP 106 HE1 TRP 106 -2.274 8.144 10.086 807 HE3 TRP 106 HE3 TRP 106 -5.300 3.983 11.391 808 HZ2 TRP 106 HZ2 TRP 106 -4.717 8.918 11.350 809 HZ3 TRP 106 HZ3 TRP 106 -7.053 5.455 12.346 810 HH2 TRP 106 HH2 TRP 106 -6.766 7.918 12.328 811 H ARG 107 H ARG 107 0.379 2.699 10.053 812 HA ARG 107 HA ARG 107 1.762 4.786 11.619 813 HB2 ARG 107 HB2 ARG 107 2.365 2.310 12.189 814 HB3 ARG 107 HB3 ARG 107 3.191 2.315 10.641 815 HG2 ARG 107 HG2 ARG 107 4.965 3.079 11.926 816 HG3 ARG 107 HG3 ARG 107 4.217 4.637 11.631 817 HD2 ARG 107 HD2 ARG 107 3.407 2.964 14.013 818 HD3 ARG 107 HD3 ARG 107 4.826 4.001 14.074 819 HE ARG 107 HE ARG 107 2.718 5.574 13.119 820 HH11 ARG 107 HH11 ARG 107 3.510 3.831 16.068 821 HH12 ARG 107 HH12 ARG 107 2.597 4.893 17.087 822 HH21 ARG 107 HH21 ARG 107 1.534 6.936 14.488 823 HH22 ARG 107 HH22 ARG 107 1.486 6.641 16.194 824 H GLU 108 H GLU 108 3.275 6.038 10.455 825 HA GLU 108 HA GLU 108 3.426 5.526 7.555 826 HB2 GLU 108 HB2 GLU 108 2.997 7.909 7.080 827 HB3 GLU 108 HB3 GLU 108 1.618 7.130 7.854 828 HG2 GLU 108 HG2 GLU 108 2.361 8.043 10.050 829 HG3 GLU 108 HG3 GLU 108 3.691 8.867 9.240 830 H THR 109 H THR 109 5.090 6.619 6.420 831 HA THR 109 HA THR 109 7.251 7.861 7.931 832 HB THR 109 HB THR 109 7.798 5.439 8.020 833 HG1 THR 109 HG1 THR 109 9.670 6.243 6.165 834 HG21 THR 109 HG21 THR 109 6.537 4.936 5.849 835 HG22 THR 109 HG22 THR 109 8.073 4.096 6.067 836 HG23 THR 109 HG23 THR 109 7.979 5.498 5.000 837 H SER 110 H SER 110 9.169 7.923 5.874 838 HA SER 110 HA SER 110 7.878 8.932 3.460 839 HB2 SER 110 HB2 SER 110 9.075 11.053 3.536 840 HB3 SER 110 HB3 SER 110 8.051 10.887 4.962 841 HG SER 110 HG SER 110 9.875 10.288 6.137 842 H VAL 111 H VAL 111 9.198 8.917 1.659 843 HA VAL 111 HA VAL 111 11.917 7.830 1.971 844 HB VAL 111 HB VAL 111 11.552 6.377 0.003 845 HG11 VAL 111 HG11 VAL 111 9.860 4.812 1.191 846 HG12 VAL 111 HG12 VAL 111 9.793 6.051 2.438 847 HG13 VAL 111 HG13 VAL 111 11.323 5.255 2.067 848 HG21 VAL 111 HG21 VAL 111 9.459 6.143 -1.070 849 HG22 VAL 111 HG22 VAL 111 9.541 7.879 -0.795 850 HG23 VAL 111 HG23 VAL 111 8.573 6.864 0.271 851 H LEU 112 H LEU 112 13.384 8.309 0.244 852 HA LEU 112 HA LEU 112 12.714 10.918 -0.960 853 HB2 LEU 112 HB2 LEU 112 15.261 9.576 -0.132 854 HB3 LEU 112 HB3 LEU 112 15.338 10.789 -1.400 855 HG LEU 112 HG LEU 112 15.773 11.775 0.836 856 HD11 LEU 112 HD11 LEU 112 14.575 13.059 -1.011 857 HD12 LEU 112 HD12 LEU 112 14.422 13.703 0.619 858 HD13 LEU 112 HD13 LEU 112 13.090 12.796 -0.095 859 HD21 LEU 112 HD21 LEU 112 14.081 11.862 2.573 860 HD22 LEU 112 HD22 LEU 112 14.282 10.172 2.110 861 HD23 LEU 112 HD23 LEU 112 12.893 11.087 1.524 862 H LEU 113 H LEU 113 12.103 11.033 -3.008 863 HA LEU 113 HA LEU 113 13.575 9.482 -5.017 864 HB2 LEU 113 HB2 LEU 113 10.554 9.747 -5.089 865 HB3 LEU 113 HB3 LEU 113 11.564 8.997 -6.321 866 HG LEU 113 HG LEU 113 12.446 7.560 -4.175 867 HD11 LEU 113 HD11 LEU 113 10.751 8.879 -2.739 868 HD12 LEU 113 HD12 LEU 113 10.807 7.129 -2.559 869 HD13 LEU 113 HD13 LEU 113 9.524 7.875 -3.506 870 HD21 LEU 113 HD21 LEU 113 10.593 5.867 -4.818 871 HD22 LEU 113 HD22 LEU 113 11.665 6.410 -6.100 872 HD23 LEU 113 HD23 LEU 113 10.054 7.094 -5.967 873 H GLN 114 H GLN 114 14.499 10.880 -6.376 874 HA GLN 114 HA GLN 114 13.022 13.360 -7.035 875 HB2 GLN 114 HB2 GLN 114 15.984 13.059 -6.510 876 HB3 GLN 114 HB3 GLN 114 15.249 14.499 -7.215 877 HG2 GLN 114 HG2 GLN 114 15.382 14.976 -4.897 878 HG3 GLN 114 HG3 GLN 114 13.704 14.510 -5.149 879 HE21 GLN 114 HE21 GLN 114 13.070 13.288 -3.379 880 HE22 GLN 114 HE22 GLN 114 13.993 12.052 -2.670 881 H VAL 115 H VAL 115 12.364 13.219 -9.077 882 HA VAL 115 HA VAL 115 13.870 11.678 -11.033 883 HB VAL 115 HB VAL 115 11.360 13.355 -11.428 884 HG11 VAL 115 HG11 VAL 115 11.127 12.423 -13.539 885 HG12 VAL 115 HG12 VAL 115 12.185 11.062 -13.188 886 HG13 VAL 115 HG13 VAL 115 12.868 12.662 -13.457 887 HG21 VAL 115 HG21 VAL 115 10.368 10.903 -11.484 888 HG22 VAL 115 HG22 VAL 115 10.657 11.680 -9.932 889 HG23 VAL 115 HG23 VAL 115 11.804 10.495 -10.549 890 H ALA 116 H ALA 116 15.369 12.459 -12.350 891 HA ALA 116 HA ALA 116 16.213 15.171 -12.268 892 HB1 ALA 116 HB1 ALA 116 17.783 13.351 -12.741 893 HB2 ALA 116 HB2 ALA 116 17.763 14.504 -14.075 894 HB3 ALA 116 HB3 ALA 116 16.912 12.967 -14.227 895 H ALA 117 H ALA 117 15.849 16.840 -13.672 896 HA ALA 117 HA ALA 117 13.526 16.638 -15.386 897 HB1 ALA 117 HB1 ALA 117 14.046 18.615 -13.891 898 HB2 ALA 117 HB2 ALA 117 13.640 19.012 -15.560 899 HB3 ALA 117 HB3 ALA 117 15.323 19.039 -15.031 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 2.909 1.603 19.251 2 H2 MET 1 HT2 MET 1 2.738 -0.021 19.714 3 H3 MET 1 HT3 MET 1 1.782 0.613 18.463 4 HA MET 1 HA MET 1 3.802 0.989 17.135 5 HB2 MET 1 HB2 MET 1 5.088 -0.514 19.446 6 HB3 MET 1 HB3 MET 1 5.888 -0.137 17.921 7 HG2 MET 1 HG2 MET 1 4.756 1.919 19.848 8 HG3 MET 1 HG3 MET 1 6.457 1.498 19.703 9 HE1 MET 1 HE1 MET 1 3.364 3.038 17.361 10 HE2 MET 1 HE2 MET 1 4.171 4.587 17.590 11 HE3 MET 1 HE3 MET 1 3.802 3.585 18.988 12 H ASP 2 H ASP 2 1.458 -0.666 17.296 13 HA ASP 2 HA ASP 2 1.971 -3.433 17.107 14 HB2 ASP 2 HB2 ASP 2 -0.289 -2.447 17.397 15 HB3 ASP 2 HB3 ASP 2 -0.222 -1.842 15.748 16 H PHE 3 H PHE 3 1.858 -0.888 14.641 17 HA PHE 3 HA PHE 3 3.228 -2.730 12.756 18 HB2 PHE 3 HB2 PHE 3 1.133 -0.645 12.100 19 HB3 PHE 3 HB3 PHE 3 2.062 -1.552 10.907 20 HD1 PHE 3 HD1 PHE 3 -0.641 -1.689 13.380 21 HD2 PHE 3 HD2 PHE 3 1.748 -3.989 10.650 22 HE1 PHE 3 HE1 PHE 3 -2.258 -3.562 13.543 23 HE2 PHE 3 HE2 PHE 3 0.130 -5.863 10.815 24 HZ PHE 3 HZ PHE 3 -1.873 -5.648 12.261 25 H ARG 4 H ARG 4 4.853 -1.845 11.440 26 HA ARG 4 HA ARG 4 5.508 0.976 11.816 27 HB2 ARG 4 HB2 ARG 4 6.692 -0.402 13.587 28 HB3 ARG 4 HB3 ARG 4 7.632 -1.125 12.286 29 HG2 ARG 4 HG2 ARG 4 7.484 1.893 12.358 30 HG3 ARG 4 HG3 ARG 4 8.445 1.102 13.598 31 HD2 ARG 4 HD2 ARG 4 9.856 0.047 11.976 32 HD3 ARG 4 HD3 ARG 4 8.790 0.497 10.651 33 HE ARG 4 HE ARG 4 9.701 2.654 10.690 34 HH11 ARG 4 HH11 ARG 4 10.812 0.856 13.493 35 HH12 ARG 4 HH12 ARG 4 12.004 2.034 13.929 36 HH21 ARG 4 HH21 ARG 4 11.264 4.166 11.289 37 HH22 ARG 4 HH22 ARG 4 12.259 3.899 12.681 38 H VAL 5 H VAL 5 6.507 1.943 10.194 39 HA VAL 5 HA VAL 5 7.373 0.364 7.859 40 HB VAL 5 HB VAL 5 5.734 2.928 7.824 41 HG11 VAL 5 HG11 VAL 5 7.489 2.558 5.946 42 HG12 VAL 5 HG12 VAL 5 5.833 2.886 5.469 43 HG13 VAL 5 HG13 VAL 5 6.450 1.237 5.413 44 HG21 VAL 5 HG21 VAL 5 4.064 1.404 6.655 45 HG22 VAL 5 HG22 VAL 5 4.302 1.073 8.371 46 HG23 VAL 5 HG23 VAL 5 5.073 0.047 7.161 47 H VAL 6 H VAL 6 9.197 1.184 6.766 48 HA VAL 6 HA VAL 6 10.594 3.398 8.153 49 HB VAL 6 HB VAL 6 11.812 1.168 6.482 50 HG11 VAL 6 HG11 VAL 6 13.165 3.274 8.190 51 HG12 VAL 6 HG12 VAL 6 13.069 3.321 6.430 52 HG13 VAL 6 HG13 VAL 6 13.965 2.030 7.229 53 HG21 VAL 6 HG21 VAL 6 11.017 0.264 8.597 54 HG22 VAL 6 HG22 VAL 6 11.706 1.625 9.484 55 HG23 VAL 6 HG23 VAL 6 12.767 0.449 8.707 56 H GLY 7 H GLY 7 10.676 5.223 7.120 57 HA2 GLY 7 HA2 GLY 7 10.138 5.319 4.238 58 HA3 GLY 7 HA3 GLY 7 9.935 6.656 5.357 59 HA PRO 8 HA PRO 8 13.931 8.434 4.541 60 HB2 PRO 8 HB2 PRO 8 15.408 8.077 6.914 61 HB3 PRO 8 HB3 PRO 8 14.356 9.454 6.537 62 HG2 PRO 8 HG2 PRO 8 13.791 7.037 8.163 63 HG3 PRO 8 HG3 PRO 8 13.252 8.710 8.397 64 HD2 PRO 8 HD2 PRO 8 11.577 6.866 7.451 65 HD3 PRO 8 HD3 PRO 8 11.542 8.525 6.809 66 H ASN 9 H ASN 9 14.563 6.918 3.013 67 HA ASN 9 HA ASN 9 16.616 5.021 3.877 68 HB2 ASN 9 HB2 ASN 9 15.656 3.293 2.315 69 HB3 ASN 9 HB3 ASN 9 14.620 3.666 3.683 70 HD21 ASN 9 HD21 ASN 9 12.533 3.357 2.800 71 HD22 ASN 9 HD22 ASN 9 11.962 4.169 1.430 72 H LEU 10 H LEU 10 17.184 3.944 1.375 73 HA LEU 10 HA LEU 10 18.991 5.784 0.373 74 HB2 LEU 10 HB2 LEU 10 19.098 3.287 0.070 75 HB3 LEU 10 HB3 LEU 10 17.843 3.432 -1.157 76 HG LEU 10 HG LEU 10 19.383 5.065 -2.370 77 HD11 LEU 10 HD11 LEU 10 20.868 5.496 -0.357 78 HD12 LEU 10 HD12 LEU 10 21.741 5.057 -1.819 79 HD13 LEU 10 HD13 LEU 10 21.489 3.860 -0.552 80 HD21 LEU 10 HD21 LEU 10 20.199 2.176 -1.948 81 HD22 LEU 10 HD22 LEU 10 20.862 3.194 -3.226 82 HD23 LEU 10 HD23 LEU 10 19.140 2.814 -3.207 83 HA PRO 11 HA PRO 11 16.148 8.297 -2.086 84 HB2 PRO 11 HB2 PRO 11 17.887 9.882 -3.413 85 HB3 PRO 11 HB3 PRO 11 17.546 10.081 -1.679 86 HG2 PRO 11 HG2 PRO 11 19.840 8.702 -2.998 87 HG3 PRO 11 HG3 PRO 11 19.842 9.826 -1.626 88 HD2 PRO 11 HD2 PRO 11 20.001 7.147 -1.277 89 HD3 PRO 11 HD3 PRO 11 19.173 8.203 -0.107 90 H ILE 12 H ILE 12 15.277 8.309 -4.173 91 HA ILE 12 HA ILE 12 16.717 6.698 -6.212 92 HB ILE 12 HB ILE 12 13.706 6.933 -5.802 93 HG12 ILE 12 HG12 ILE 12 15.512 4.508 -5.447 94 HG13 ILE 12 HG13 ILE 12 15.029 5.542 -4.111 95 HG21 ILE 12 HG21 ILE 12 14.227 6.643 -8.170 96 HG22 ILE 12 HG22 ILE 12 13.665 5.093 -7.544 97 HG23 ILE 12 HG23 ILE 12 15.389 5.367 -7.800 98 HD11 ILE 12 HD11 ILE 12 13.624 3.372 -4.665 99 HD12 ILE 12 HD12 ILE 12 12.889 4.395 -5.896 100 HD13 ILE 12 HD13 ILE 12 12.803 4.857 -4.195 101 H LEU 13 H LEU 13 17.252 7.761 -8.021 102 HA LEU 13 HA LEU 13 15.867 10.300 -8.608 103 HB2 LEU 13 HB2 LEU 13 18.367 10.283 -7.822 104 HB3 LEU 13 HB3 LEU 13 18.695 9.767 -9.474 105 HG LEU 13 HG LEU 13 16.989 12.190 -8.866 106 HD11 LEU 13 HD11 LEU 13 19.153 12.613 -7.828 107 HD12 LEU 13 HD12 LEU 13 19.053 13.543 -9.324 108 HD13 LEU 13 HD13 LEU 13 19.996 12.054 -9.273 109 HD21 LEU 13 HD21 LEU 13 16.736 11.470 -11.128 110 HD22 LEU 13 HD22 LEU 13 18.451 11.104 -11.292 111 HD23 LEU 13 HD23 LEU 13 17.909 12.782 -11.216 112 H ALA 14 H ALA 14 14.568 10.044 -10.251 113 HA ALA 14 HA ALA 14 15.494 8.546 -12.625 114 HB1 ALA 14 HB1 ALA 14 13.187 8.046 -13.125 115 HB2 ALA 14 HB2 ALA 14 12.624 9.102 -11.829 116 HB3 ALA 14 HB3 ALA 14 13.470 7.603 -11.441 117 H LYS 15 H LYS 15 13.987 9.444 -14.585 118 HA LYS 15 HA LYS 15 14.225 12.397 -14.560 119 HB2 LYS 15 HB2 LYS 15 14.779 10.479 -16.831 120 HB3 LYS 15 HB3 LYS 15 14.703 12.238 -16.995 121 HG2 LYS 15 HG2 LYS 15 16.518 12.475 -15.345 122 HG3 LYS 15 HG3 LYS 15 16.601 10.721 -15.181 123 HD2 LYS 15 HD2 LYS 15 17.170 10.520 -17.577 124 HD3 LYS 15 HD3 LYS 15 17.093 12.275 -17.741 125 HE2 LYS 15 HE2 LYS 15 18.906 12.518 -16.094 126 HE3 LYS 15 HE3 LYS 15 18.983 10.765 -15.912 127 HZ1 LYS 15 HZ1 LYS 15 20.627 11.213 -17.457 128 HZ2 LYS 15 HZ2 LYS 15 19.721 12.419 -18.239 129 HZ3 LYS 15 HZ3 LYS 15 19.316 10.782 -18.442 130 H VAL 16 H VAL 16 12.536 13.573 -15.392 131 HA VAL 16 HA VAL 16 9.993 12.377 -15.364 132 HB VAL 16 HB VAL 16 9.129 14.532 -16.206 133 HG11 VAL 16 HG11 VAL 16 9.998 15.923 -14.352 134 HG12 VAL 16 HG12 VAL 16 11.300 14.758 -14.106 135 HG13 VAL 16 HG13 VAL 16 9.624 14.282 -13.825 136 HG21 VAL 16 HG21 VAL 16 10.582 16.321 -16.838 137 HG22 VAL 16 HG22 VAL 16 11.126 14.915 -17.755 138 HG23 VAL 16 HG23 VAL 16 12.019 15.435 -16.324 139 H GLY 17 H GLY 17 8.571 11.787 -16.938 140 HA2 GLY 17 HA2 GLY 17 7.811 11.444 -19.177 141 HA3 GLY 17 HA3 GLY 17 9.450 11.746 -19.752 142 H GLU 18 H GLU 18 10.511 10.007 -17.526 143 HA GLU 18 HA GLU 18 10.075 7.385 -18.785 144 HB2 GLU 18 HB2 GLU 18 12.268 8.409 -16.962 145 HB3 GLU 18 HB3 GLU 18 12.137 6.736 -17.509 146 HG2 GLU 18 HG2 GLU 18 13.616 7.691 -19.076 147 HG3 GLU 18 HG3 GLU 18 12.073 7.747 -19.913 148 H ASP 19 H ASP 19 10.078 5.511 -17.185 149 HA ASP 19 HA ASP 19 8.063 6.022 -15.187 150 HB2 ASP 19 HB2 ASP 19 8.157 3.594 -14.773 151 HB3 ASP 19 HB3 ASP 19 7.984 3.965 -16.489 152 H ALA 20 H ALA 20 8.248 5.413 -12.933 153 HA ALA 20 HA ALA 20 10.957 5.515 -11.787 154 HB1 ALA 20 HB1 ALA 20 10.387 7.285 -10.277 155 HB2 ALA 20 HB2 ALA 20 8.701 7.261 -10.794 156 HB3 ALA 20 HB3 ALA 20 9.953 7.832 -11.896 157 H LEU 21 H LEU 21 10.973 4.944 -9.451 158 HA LEU 21 HA LEU 21 8.753 3.072 -8.801 159 HB2 LEU 21 HB2 LEU 21 11.725 2.735 -8.699 160 HB3 LEU 21 HB3 LEU 21 10.787 1.977 -7.414 161 HG LEU 21 HG LEU 21 9.333 0.971 -9.286 162 HD11 LEU 21 HD11 LEU 21 11.679 2.028 -10.878 163 HD12 LEU 21 HD12 LEU 21 9.961 2.307 -11.166 164 HD13 LEU 21 HD13 LEU 21 10.656 0.714 -11.458 165 HD21 LEU 21 HD21 LEU 21 10.931 -0.873 -9.655 166 HD22 LEU 21 HD22 LEU 21 11.013 -0.319 -7.983 167 HD23 LEU 21 HD23 LEU 21 12.259 0.164 -9.133 168 H LEU 22 H LEU 22 7.684 3.421 -6.988 169 HA LEU 22 HA LEU 22 8.872 5.141 -4.875 170 HB2 LEU 22 HB2 LEU 22 5.943 4.420 -5.274 171 HB3 LEU 22 HB3 LEU 22 6.590 5.583 -4.128 172 HG LEU 22 HG LEU 22 6.744 5.855 -7.155 173 HD11 LEU 22 HD11 LEU 22 4.948 7.208 -5.111 174 HD12 LEU 22 HD12 LEU 22 4.440 6.059 -6.347 175 HD13 LEU 22 HD13 LEU 22 5.046 7.648 -6.816 176 HD21 LEU 22 HD21 LEU 22 7.202 8.369 -6.260 177 HD22 LEU 22 HD22 LEU 22 8.505 7.211 -6.443 178 HD23 LEU 22 HD23 LEU 22 7.808 7.496 -4.849 179 H THR 23 H THR 23 9.660 3.913 -3.157 180 HA THR 23 HA THR 23 8.076 1.547 -2.385 181 HB THR 23 HB THR 23 9.849 0.723 -3.840 182 HG1 THR 23 HG1 THR 23 10.345 0.152 -1.109 183 HG21 THR 23 HG21 THR 23 11.438 2.642 -3.265 184 HG22 THR 23 HG22 THR 23 12.168 1.042 -3.392 185 HG23 THR 23 HG23 THR 23 11.841 1.738 -1.805 186 H CYS 24 H CYS 24 8.290 0.741 -0.337 187 HA CYS 24 HA CYS 24 9.903 2.121 1.660 188 HB2 CYS 24 HB2 CYS 24 7.971 2.511 3.163 189 HB3 CYS 24 HB3 CYS 24 7.833 3.441 1.668 190 H GLN 25 H GLN 25 9.708 0.956 3.843 191 HA GLN 25 HA GLN 25 9.555 -1.980 3.341 192 HB2 GLN 25 HB2 GLN 25 11.021 -0.458 5.514 193 HB3 GLN 25 HB3 GLN 25 11.081 -2.191 5.246 194 HG2 GLN 25 HG2 GLN 25 11.957 -0.138 3.197 195 HG3 GLN 25 HG3 GLN 25 13.056 -0.954 4.307 196 HE21 GLN 25 HE21 GLN 25 12.049 -1.120 1.171 197 HE22 GLN 25 HE22 GLN 25 12.193 -2.793 0.914 198 H LEU 26 H LEU 26 7.782 -2.938 4.133 199 HA LEU 26 HA LEU 26 6.851 -2.208 6.828 200 HB2 LEU 26 HB2 LEU 26 4.470 -2.488 6.097 201 HB3 LEU 26 HB3 LEU 26 5.293 -1.089 5.411 202 HG LEU 26 HG LEU 26 5.833 -2.841 3.418 203 HD11 LEU 26 HD11 LEU 26 4.489 -4.611 4.827 204 HD12 LEU 26 HD12 LEU 26 4.260 -4.536 3.088 205 HD13 LEU 26 HD13 LEU 26 3.073 -3.805 4.164 206 HD21 LEU 26 HD21 LEU 26 3.303 -1.233 3.880 207 HD22 LEU 26 HD22 LEU 26 3.606 -2.052 2.349 208 HD23 LEU 26 HD23 LEU 26 4.709 -0.797 2.909 209 H LEU 27 H LEU 27 5.823 -3.906 8.019 210 HA LEU 27 HA LEU 27 6.393 -6.605 6.926 211 HB2 LEU 27 HB2 LEU 27 6.509 -5.636 9.792 212 HB3 LEU 27 HB3 LEU 27 6.526 -7.336 9.350 213 HG LEU 27 HG LEU 27 8.554 -6.842 7.905 214 HD11 LEU 27 HD11 LEU 27 8.636 -4.547 7.517 215 HD12 LEU 27 HD12 LEU 27 9.802 -4.688 8.821 216 HD13 LEU 27 HD13 LEU 27 8.164 -4.133 9.162 217 HD21 LEU 27 HD21 LEU 27 10.086 -6.947 9.783 218 HD22 LEU 27 HD22 LEU 27 8.622 -7.824 10.228 219 HD23 LEU 27 HD23 LEU 27 8.899 -6.198 10.851 220 HA PRO 28 HA PRO 28 1.799 -6.766 7.524 221 HB2 PRO 28 HB2 PRO 28 1.265 -8.776 5.810 222 HB3 PRO 28 HB3 PRO 28 1.576 -7.122 5.241 223 HG2 PRO 28 HG2 PRO 28 3.419 -9.466 5.314 224 HG3 PRO 28 HG3 PRO 28 3.171 -8.268 4.030 225 HD2 PRO 28 HD2 PRO 28 5.268 -8.140 5.774 226 HD3 PRO 28 HD3 PRO 28 4.540 -6.694 5.036 227 H LYS 29 H LYS 29 0.631 -8.085 8.929 228 HA LYS 29 HA LYS 29 2.045 -10.025 10.498 229 HB2 LYS 29 HB2 LYS 29 -0.892 -9.347 10.297 230 HB3 LYS 29 HB3 LYS 29 -0.262 -10.562 11.410 231 HG2 LYS 29 HG2 LYS 29 1.168 -8.895 12.486 232 HG3 LYS 29 HG3 LYS 29 0.658 -7.669 11.325 233 HD2 LYS 29 HD2 LYS 29 -0.645 -7.293 13.307 234 HD3 LYS 29 HD3 LYS 29 -1.729 -8.052 12.142 235 HE2 LYS 29 HE2 LYS 29 -2.033 -9.124 14.315 236 HE3 LYS 29 HE3 LYS 29 -1.261 -10.270 13.222 237 HZ1 LYS 29 HZ1 LYS 29 0.758 -10.052 14.271 238 HZ2 LYS 29 HZ2 LYS 29 -0.311 -9.914 15.585 239 HZ3 LYS 29 HZ3 LYS 29 0.398 -8.525 14.910 240 H ARG 30 H ARG 30 -0.469 -10.295 8.056 241 HA ARG 30 HA ARG 30 0.514 -12.549 6.759 242 HB2 ARG 30 HB2 ARG 30 -0.094 -13.752 8.883 243 HB3 ARG 30 HB3 ARG 30 -1.767 -13.250 8.655 244 HG2 ARG 30 HG2 ARG 30 -1.852 -14.442 6.510 245 HG3 ARG 30 HG3 ARG 30 -0.161 -14.909 6.685 246 HD2 ARG 30 HD2 ARG 30 -0.710 -16.167 8.723 247 HD3 ARG 30 HD3 ARG 30 -2.399 -15.687 8.578 248 HE ARG 30 HE ARG 30 -1.590 -16.920 6.164 249 HH11 ARG 30 HH11 ARG 30 -2.212 -17.797 9.509 250 HH12 ARG 30 HH12 ARG 30 -2.658 -19.426 9.119 251 HH21 ARG 30 HH21 ARG 30 -2.195 -19.041 5.705 252 HH22 ARG 30 HH22 ARG 30 -2.650 -20.121 6.980 253 H THR 31 H THR 31 -0.377 -12.415 4.787 254 HA THR 31 HA THR 31 -1.674 -11.699 3.059 255 HB THR 31 HB THR 31 -4.078 -12.043 3.200 256 HG1 THR 31 HG1 THR 31 -4.994 -12.618 5.214 257 HG21 THR 31 HG21 THR 31 -4.031 -14.417 4.249 258 HG22 THR 31 HG22 THR 31 -2.312 -14.112 4.484 259 HG23 THR 31 HG23 THR 31 -2.999 -14.089 2.860 260 H THR 32 H THR 32 -2.971 -9.926 2.221 261 HA THR 32 HA THR 32 -3.027 -7.605 4.073 262 HB THR 32 HB THR 32 -2.447 -6.135 2.253 263 HG1 THR 32 HG1 THR 32 -2.916 -6.811 0.317 264 HG21 THR 32 HG21 THR 32 -0.165 -7.032 1.669 265 HG22 THR 32 HG22 THR 32 -0.623 -8.538 2.464 266 HG23 THR 32 HG23 THR 32 -0.538 -7.039 3.391 267 H ALA 33 H ALA 33 -5.142 -9.537 3.478 268 HA ALA 33 HA ALA 33 -7.104 -8.543 1.731 269 HB1 ALA 33 HB1 ALA 33 -8.565 -10.085 2.724 270 HB2 ALA 33 HB2 ALA 33 -7.739 -10.001 4.281 271 HB3 ALA 33 HB3 ALA 33 -6.973 -10.816 2.918 272 H HIS 34 H HIS 34 -6.432 -7.883 5.142 273 HA HIS 34 HA HIS 34 -8.515 -5.777 5.142 274 HB2 HIS 34 HB2 HIS 34 -7.296 -7.266 7.481 275 HB3 HIS 34 HB3 HIS 34 -8.476 -5.962 7.616 276 HD2 HIS 34 HD2 HIS 34 -8.465 -9.761 7.208 277 HE1 HIS 34 HE1 HIS 34 -12.310 -8.489 6.018 278 HE2 HIS 34 HE2 HIS 34 -10.892 -10.511 6.611 279 H MET 35 H MET 35 -5.596 -5.700 4.233 280 HA MET 35 HA MET 35 -4.685 -3.485 5.966 281 HB2 MET 35 HB2 MET 35 -3.080 -5.448 4.316 282 HB3 MET 35 HB3 MET 35 -2.396 -4.045 5.141 283 HG2 MET 35 HG2 MET 35 -3.133 -4.886 7.299 284 HG3 MET 35 HG3 MET 35 -3.969 -6.235 6.529 285 HE1 MET 35 HE1 MET 35 -1.601 -8.331 8.104 286 HE2 MET 35 HE2 MET 35 -2.811 -7.122 8.511 287 HE3 MET 35 HE3 MET 35 -1.109 -6.801 8.842 288 H GLU 36 H GLU 36 -3.867 -1.620 5.010 289 HA GLU 36 HA GLU 36 -4.173 -1.338 2.098 290 HB2 GLU 36 HB2 GLU 36 -6.284 -0.585 3.167 291 HB3 GLU 36 HB3 GLU 36 -5.368 0.589 4.107 292 HG2 GLU 36 HG2 GLU 36 -5.120 0.561 1.098 293 HG3 GLU 36 HG3 GLU 36 -6.492 1.358 1.866 294 H VAL 37 H VAL 37 -2.638 -0.108 1.137 295 HA VAL 37 HA VAL 37 -0.751 1.327 2.903 296 HB VAL 37 HB VAL 37 -0.150 -0.083 0.278 297 HG11 VAL 37 HG11 VAL 37 1.619 1.456 2.204 298 HG12 VAL 37 HG12 VAL 37 1.329 1.812 0.503 299 HG13 VAL 37 HG13 VAL 37 2.248 0.378 0.958 300 HG21 VAL 37 HG21 VAL 37 0.627 -0.769 3.137 301 HG22 VAL 37 HG22 VAL 37 1.161 -1.637 1.698 302 HG23 VAL 37 HG23 VAL 37 -0.542 -1.648 2.153 303 H ARG 38 H ARG 38 -0.477 3.477 2.539 304 HA ARG 38 HA ARG 38 -1.748 4.605 0.102 305 HB2 ARG 38 HB2 ARG 38 -1.198 5.974 2.746 306 HB3 ARG 38 HB3 ARG 38 -1.953 6.710 1.343 307 HG2 ARG 38 HG2 ARG 38 -3.779 5.061 1.441 308 HG3 ARG 38 HG3 ARG 38 -3.037 4.334 2.867 309 HD2 ARG 38 HD2 ARG 38 -3.226 6.518 4.044 310 HD3 ARG 38 HD3 ARG 38 -4.053 7.179 2.638 311 HE ARG 38 HE ARG 38 -5.159 5.341 4.606 312 HH11 ARG 38 HH11 ARG 38 -5.514 6.686 1.380 313 HH12 ARG 38 HH12 ARG 38 -7.204 6.316 1.282 314 HH21 ARG 38 HH21 ARG 38 -7.362 4.883 4.438 315 HH22 ARG 38 HH22 ARG 38 -8.242 5.301 3.006 316 H TRP 39 H TRP 39 -0.697 5.885 -1.262 317 HA TRP 39 HA TRP 39 2.071 6.733 -0.650 318 HB2 TRP 39 HB2 TRP 39 0.929 5.801 -3.298 319 HB3 TRP 39 HB3 TRP 39 2.491 6.593 -3.116 320 HD1 TRP 39 HD1 TRP 39 4.459 5.224 -1.968 321 HE1 TRP 39 HE1 TRP 39 4.766 2.708 -1.526 322 HE3 TRP 39 HE3 TRP 39 -0.336 3.604 -2.678 323 HZ2 TRP 39 HZ2 TRP 39 3.198 0.327 -1.481 324 HZ3 TRP 39 HZ3 TRP 39 -0.899 1.201 -2.429 325 HH2 TRP 39 HH2 TRP 39 0.865 -0.439 -1.831 326 H TYR 40 H TYR 40 2.571 8.802 -1.210 327 HA TYR 40 HA TYR 40 0.366 10.503 -2.237 328 HB2 TYR 40 HB2 TYR 40 2.352 11.174 -0.054 329 HB3 TYR 40 HB3 TYR 40 1.170 12.290 -0.731 330 HD1 TYR 40 HD1 TYR 40 1.686 9.373 1.428 331 HD2 TYR 40 HD2 TYR 40 -1.249 11.956 -0.350 332 HE1 TYR 40 HE1 TYR 40 -0.034 8.490 2.981 333 HE2 TYR 40 HE2 TYR 40 -2.967 11.072 1.204 334 HH TYR 40 HH TYR 40 -3.367 9.076 2.545 335 H ARG 41 H ARG 41 0.988 12.458 -3.311 336 HA ARG 41 HA ARG 41 3.647 12.289 -4.605 337 HB2 ARG 41 HB2 ARG 41 1.616 12.026 -6.089 338 HB3 ARG 41 HB3 ARG 41 1.163 13.675 -5.659 339 HG2 ARG 41 HG2 ARG 41 3.404 14.441 -6.489 340 HG3 ARG 41 HG3 ARG 41 3.693 12.797 -7.065 341 HD2 ARG 41 HD2 ARG 41 2.824 14.071 -8.924 342 HD3 ARG 41 HD3 ARG 41 1.562 12.966 -8.393 343 HE ARG 41 HE ARG 41 1.341 15.500 -7.076 344 HH11 ARG 41 HH11 ARG 41 0.649 13.890 -10.122 345 HH12 ARG 41 HH12 ARG 41 -0.644 14.966 -10.536 346 HH21 ARG 41 HH21 ARG 41 -0.344 16.884 -7.656 347 HH22 ARG 41 HH22 ARG 41 -1.201 16.654 -9.145 348 H SER 42 H SER 42 4.523 13.421 -2.681 349 HA SER 42 HA SER 42 5.207 15.274 -1.524 350 HB2 SER 42 HB2 SER 42 4.359 16.722 -4.043 351 HB3 SER 42 HB3 SER 42 5.375 17.384 -2.768 352 HG SER 42 HG SER 42 6.750 15.476 -3.204 353 H ASP 43 H ASP 43 2.185 14.469 -1.712 354 HA ASP 43 HA ASP 43 1.190 16.779 -0.206 355 HB2 ASP 43 HB2 ASP 43 -0.298 15.365 -2.432 356 HB3 ASP 43 HB3 ASP 43 -1.043 16.492 -1.297 357 HA PRO 44 HA PRO 44 0.657 12.851 2.251 358 HB2 PRO 44 HB2 PRO 44 0.335 14.114 4.678 359 HB3 PRO 44 HB3 PRO 44 1.907 13.667 3.983 360 HG2 PRO 44 HG2 PRO 44 0.514 16.303 3.945 361 HG3 PRO 44 HG3 PRO 44 2.224 15.934 4.251 362 HD2 PRO 44 HD2 PRO 44 1.436 16.864 1.867 363 HD3 PRO 44 HD3 PRO 44 2.706 15.620 1.983 364 H ASP 45 H ASP 45 -1.318 15.734 2.036 365 HA ASP 45 HA ASP 45 -3.630 14.599 3.357 366 HB2 ASP 45 HB2 ASP 45 -3.337 17.118 1.710 367 HB3 ASP 45 HB3 ASP 45 -4.758 16.676 2.657 368 H MET 46 H MET 46 -2.459 14.917 0.048 369 HA MET 46 HA MET 46 -4.944 13.650 -0.935 370 HB2 MET 46 HB2 MET 46 -4.663 15.870 -1.880 371 HB3 MET 46 HB3 MET 46 -3.031 15.473 -2.416 372 HG2 MET 46 HG2 MET 46 -3.826 13.895 -4.014 373 HG3 MET 46 HG3 MET 46 -5.445 13.884 -3.336 374 HE1 MET 46 HE1 MET 46 -6.406 16.553 -2.839 375 HE2 MET 46 HE2 MET 46 -7.282 15.485 -3.932 376 HE3 MET 46 HE3 MET 46 -7.013 17.164 -4.387 377 HA PRO 47 HA PRO 47 -1.897 10.354 -1.964 378 HB2 PRO 47 HB2 PRO 47 -3.557 8.242 -1.945 379 HB3 PRO 47 HB3 PRO 47 -2.978 8.970 -0.432 380 HG2 PRO 47 HG2 PRO 47 -5.594 9.344 -1.820 381 HG3 PRO 47 HG3 PRO 47 -5.259 9.100 -0.095 382 HD2 PRO 47 HD2 PRO 47 -5.730 11.572 -1.185 383 HD3 PRO 47 HD3 PRO 47 -4.729 11.322 0.264 384 H VAL 48 H VAL 48 -1.583 9.091 -3.928 385 HA VAL 48 HA VAL 48 -3.305 9.989 -6.156 386 HB VAL 48 HB VAL 48 -1.409 9.404 -7.635 387 HG11 VAL 48 HG11 VAL 48 -1.716 11.672 -6.525 388 HG12 VAL 48 HG12 VAL 48 -0.086 11.308 -7.087 389 HG13 VAL 48 HG13 VAL 48 -0.478 11.176 -5.371 390 HG21 VAL 48 HG21 VAL 48 -0.375 7.639 -6.259 391 HG22 VAL 48 HG22 VAL 48 0.013 8.818 -5.008 392 HG23 VAL 48 HG23 VAL 48 0.799 8.913 -6.584 393 H ILE 49 H ILE 49 -2.030 7.100 -4.619 394 HA ILE 49 HA ILE 49 -4.085 5.474 -5.800 395 HB ILE 49 HB ILE 49 -2.266 5.614 -7.591 396 HG12 ILE 49 HG12 ILE 49 -2.222 3.087 -7.976 397 HG13 ILE 49 HG13 ILE 49 -3.130 2.902 -6.473 398 HG21 ILE 49 HG21 ILE 49 -0.708 4.044 -5.528 399 HG22 ILE 49 HG22 ILE 49 -0.251 5.557 -6.305 400 HG23 ILE 49 HG23 ILE 49 -0.302 4.067 -7.242 401 HD11 ILE 49 HD11 ILE 49 -3.955 4.465 -8.940 402 HD12 ILE 49 HD12 ILE 49 -4.855 4.476 -7.427 403 HD13 ILE 49 HD13 ILE 49 -4.682 2.979 -8.339 404 H MET 50 H MET 50 -4.373 3.472 -4.689 405 HA MET 50 HA MET 50 -2.528 2.958 -2.459 406 HB2 MET 50 HB2 MET 50 -4.385 2.708 -0.871 407 HB3 MET 50 HB3 MET 50 -4.252 4.360 -1.476 408 HG2 MET 50 HG2 MET 50 -6.065 3.861 -3.116 409 HG3 MET 50 HG3 MET 50 -6.215 2.244 -2.421 410 HE1 MET 50 HE1 MET 50 -8.648 4.314 -2.642 411 HE2 MET 50 HE2 MET 50 -9.421 3.943 -1.104 412 HE3 MET 50 HE3 MET 50 -8.707 2.644 -2.052 413 H TYR 51 H TYR 51 -2.583 0.924 -1.548 414 HA TYR 51 HA TYR 51 -3.730 -1.176 -3.287 415 HB2 TYR 51 HB2 TYR 51 -1.200 -0.898 -3.124 416 HB3 TYR 51 HB3 TYR 51 -1.348 -1.397 -1.445 417 HD1 TYR 51 HD1 TYR 51 -1.816 -2.459 -4.961 418 HD2 TYR 51 HD2 TYR 51 -1.801 -3.689 -0.846 419 HE1 TYR 51 HE1 TYR 51 -1.817 -4.831 -5.672 420 HE2 TYR 51 HE2 TYR 51 -1.807 -6.065 -1.557 421 HH TYR 51 HH TYR 51 -2.279 -6.988 -4.891 422 H ARG 52 H ARG 52 -5.491 -2.045 -2.320 423 HA ARG 52 HA ARG 52 -5.342 -2.689 0.555 424 HB2 ARG 52 HB2 ARG 52 -7.667 -1.951 0.869 425 HB3 ARG 52 HB3 ARG 52 -6.634 -0.629 0.342 426 HG2 ARG 52 HG2 ARG 52 -7.424 -0.924 -1.984 427 HG3 ARG 52 HG3 ARG 52 -8.468 -2.245 -1.458 428 HD2 ARG 52 HD2 ARG 52 -9.678 -0.710 0.033 429 HD3 ARG 52 HD3 ARG 52 -8.625 0.612 -0.461 430 HE ARG 52 HE ARG 52 -9.795 -0.513 -2.775 431 HH11 ARG 52 HH11 ARG 52 -10.762 1.349 0.043 432 HH12 ARG 52 HH12 ARG 52 -12.085 2.118 -0.767 433 HH21 ARG 52 HH21 ARG 52 -11.530 0.518 -3.798 434 HH22 ARG 52 HH22 ARG 52 -12.515 1.648 -2.934 435 H ASP 53 H ASP 53 -6.542 -4.447 1.271 436 HA ASP 53 HA ASP 53 -7.281 -6.596 1.129 437 HB2 ASP 53 HB2 ASP 53 -9.321 -5.222 0.453 438 HB3 ASP 53 HB3 ASP 53 -8.940 -5.651 -1.212 439 H GLY 54 H GLY 54 -4.866 -6.104 -0.213 440 HA2 GLY 54 HA2 GLY 54 -3.369 -7.256 -1.541 441 HA3 GLY 54 HA3 GLY 54 -4.622 -8.472 -1.777 442 H ALA 55 H ALA 55 -5.546 -5.250 -2.656 443 HA ALA 55 HA ALA 55 -4.758 -5.575 -5.463 444 HB1 ALA 55 HB1 ALA 55 -7.656 -5.309 -4.627 445 HB2 ALA 55 HB2 ALA 55 -6.908 -6.773 -5.260 446 HB3 ALA 55 HB3 ALA 55 -7.050 -5.344 -6.284 447 H GLU 56 H GLU 56 -4.745 -3.681 -6.657 448 HA GLU 56 HA GLU 56 -4.730 -1.206 -5.125 449 HB2 GLU 56 HB2 GLU 56 -2.983 -1.807 -6.880 450 HB3 GLU 56 HB3 GLU 56 -4.230 -1.515 -8.090 451 HG2 GLU 56 HG2 GLU 56 -4.516 0.768 -7.322 452 HG3 GLU 56 HG3 GLU 56 -3.359 0.498 -6.016 453 H VAL 57 H VAL 57 -6.002 0.647 -5.658 454 HA VAL 57 HA VAL 57 -8.726 0.152 -6.034 455 HB VAL 57 HB VAL 57 -8.970 2.603 -6.371 456 HG11 VAL 57 HG11 VAL 57 -7.764 3.241 -4.208 457 HG12 VAL 57 HG12 VAL 57 -7.139 1.593 -4.192 458 HG13 VAL 57 HG13 VAL 57 -8.878 1.879 -4.108 459 HG21 VAL 57 HG21 VAL 57 -5.930 2.620 -6.269 460 HG22 VAL 57 HG22 VAL 57 -6.975 4.035 -6.368 461 HG23 VAL 57 HG23 VAL 57 -6.877 2.913 -7.728 462 H THR 58 H THR 58 -10.178 0.749 -7.770 463 HA THR 58 HA THR 58 -9.389 -0.328 -10.262 464 HB THR 58 HB THR 58 -11.595 0.438 -11.078 465 HG1 THR 58 HG1 THR 58 -11.945 1.543 -8.500 466 HG21 THR 58 HG21 THR 58 -12.955 -0.709 -9.249 467 HG22 THR 58 HG22 THR 58 -11.441 -0.857 -8.356 468 HG23 THR 58 HG23 THR 58 -11.621 -1.643 -9.925 469 H GLY 59 H GLY 59 -9.615 2.994 -9.101 470 HA2 GLY 59 HA2 GLY 59 -8.928 4.996 -9.996 471 HA3 GLY 59 HA3 GLY 59 -7.727 4.044 -10.860 472 H LEU 60 H LEU 60 -7.755 4.684 -12.928 473 HA LEU 60 HA LEU 60 -10.066 5.713 -14.241 474 HB2 LEU 60 HB2 LEU 60 -7.355 4.884 -15.311 475 HB3 LEU 60 HB3 LEU 60 -8.592 5.693 -16.267 476 HG LEU 60 HG LEU 60 -7.468 6.842 -13.693 477 HD11 LEU 60 HD11 LEU 60 -6.106 8.304 -15.132 478 HD12 LEU 60 HD12 LEU 60 -6.718 7.477 -16.564 479 HD13 LEU 60 HD13 LEU 60 -5.698 6.612 -15.416 480 HD21 LEU 60 HD21 LEU 60 -9.218 7.908 -15.936 481 HD22 LEU 60 HD22 LEU 60 -8.399 8.977 -14.795 482 HD23 LEU 60 HD23 LEU 60 -9.602 7.827 -14.217 483 HA PRO 61 HA PRO 61 -11.954 1.927 -15.767 484 HB2 PRO 61 HB2 PRO 61 -12.379 3.337 -18.357 485 HB3 PRO 61 HB3 PRO 61 -13.559 2.546 -17.291 486 HG2 PRO 61 HG2 PRO 61 -13.450 5.167 -17.415 487 HG3 PRO 61 HG3 PRO 61 -13.668 4.358 -15.851 488 HD2 PRO 61 HD2 PRO 61 -11.168 5.577 -16.996 489 HD3 PRO 61 HD3 PRO 61 -11.814 5.666 -15.336 490 H MET 62 H MET 62 -11.384 0.114 -16.948 491 HA MET 62 HA MET 62 -10.131 -1.321 -18.213 492 HB2 MET 62 HB2 MET 62 -9.681 1.122 -19.955 493 HB3 MET 62 HB3 MET 62 -9.384 -0.549 -20.430 494 HG2 MET 62 HG2 MET 62 -12.084 0.547 -19.575 495 HG3 MET 62 HG3 MET 62 -11.590 0.300 -21.249 496 HE1 MET 62 HE1 MET 62 -13.772 -1.032 -21.509 497 HE2 MET 62 HE2 MET 62 -14.199 -0.955 -19.802 498 HE3 MET 62 HE3 MET 62 -14.198 -2.510 -20.629 499 H GLU 63 H GLU 63 -8.839 0.111 -16.010 500 HA GLU 63 HA GLU 63 -6.220 -0.827 -16.353 501 HB2 GLU 63 HB2 GLU 63 -4.952 1.340 -16.315 502 HB3 GLU 63 HB3 GLU 63 -5.804 1.047 -17.828 503 HG2 GLU 63 HG2 GLU 63 -7.717 2.470 -16.867 504 HG3 GLU 63 HG3 GLU 63 -6.611 2.938 -15.589 505 H GLY 64 H GLY 64 -7.026 -1.749 -14.399 506 HA2 GLY 64 HA2 GLY 64 -7.785 -0.404 -12.065 507 HA3 GLY 64 HA3 GLY 64 -7.029 -1.992 -12.103 508 H TYR 65 H TYR 65 -4.666 -0.761 -13.498 509 HA TYR 65 HA TYR 65 -2.942 -0.258 -11.326 510 HB2 TYR 65 HB2 TYR 65 -2.657 0.615 -14.224 511 HB3 TYR 65 HB3 TYR 65 -1.350 0.513 -13.053 512 HD1 TYR 65 HD1 TYR 65 -2.913 -1.209 -15.683 513 HD2 TYR 65 HD2 TYR 65 -1.239 -1.899 -11.784 514 HE1 TYR 65 HE1 TYR 65 -2.605 -3.607 -16.234 515 HE2 TYR 65 HE2 TYR 65 -0.924 -4.291 -12.343 516 HH TYR 65 HH TYR 65 -2.315 -5.923 -14.278 517 H GLY 66 H GLY 66 -5.301 1.711 -12.852 518 HA2 GLY 66 HA2 GLY 66 -6.096 3.793 -12.124 519 HA3 GLY 66 HA3 GLY 66 -4.530 4.113 -11.380 520 H GLY 67 H GLY 67 -4.185 2.715 -14.452 521 HA2 GLY 67 HA2 GLY 67 -3.535 3.514 -16.506 522 HA3 GLY 67 HA3 GLY 67 -4.349 5.025 -16.122 523 H ARG 68 H ARG 68 -2.267 4.499 -13.562 524 HA ARG 68 HA ARG 68 -0.119 6.074 -14.819 525 HB2 ARG 68 HB2 ARG 68 0.185 7.211 -12.661 526 HB3 ARG 68 HB3 ARG 68 -1.438 7.451 -13.306 527 HG2 ARG 68 HG2 ARG 68 -2.146 5.455 -11.850 528 HG3 ARG 68 HG3 ARG 68 -0.584 5.623 -11.047 529 HD2 ARG 68 HD2 ARG 68 -2.193 6.884 -9.768 530 HD3 ARG 68 HD3 ARG 68 -1.150 8.033 -10.600 531 HE ARG 68 HE ARG 68 -3.491 7.420 -12.149 532 HH11 ARG 68 HH11 ARG 68 -2.378 9.368 -9.439 533 HH12 ARG 68 HH12 ARG 68 -3.621 10.559 -9.633 534 HH21 ARG 68 HH21 ARG 68 -5.092 8.999 -12.362 535 HH22 ARG 68 HH22 ARG 68 -5.145 10.351 -11.279 536 H ALA 69 H ALA 69 -0.681 3.799 -12.049 537 HA ALA 69 HA ALA 69 2.055 2.797 -12.534 538 HB1 ALA 69 HB1 ALA 69 2.430 4.358 -10.809 539 HB2 ALA 69 HB2 ALA 69 2.374 2.784 -10.015 540 HB3 ALA 69 HB3 ALA 69 0.980 3.863 -9.937 541 H GLU 70 H GLU 70 2.516 0.746 -11.885 542 HA GLU 70 HA GLU 70 0.247 -0.933 -11.034 543 HB2 GLU 70 HB2 GLU 70 1.328 -2.803 -12.254 544 HB3 GLU 70 HB3 GLU 70 0.907 -1.481 -13.338 545 HG2 GLU 70 HG2 GLU 70 3.244 -0.652 -13.243 546 HG3 GLU 70 HG3 GLU 70 3.668 -1.971 -12.158 547 H TRP 71 H TRP 71 0.640 -2.483 -9.449 548 HA TRP 71 HA TRP 71 2.822 -1.851 -7.673 549 HB2 TRP 71 HB2 TRP 71 1.818 -3.548 -6.170 550 HB3 TRP 71 HB3 TRP 71 0.637 -2.356 -6.709 551 HD1 TRP 71 HD1 TRP 71 -1.280 -3.163 -8.338 552 HE1 TRP 71 HE1 TRP 71 -2.135 -5.502 -9.006 553 HE3 TRP 71 HE3 TRP 71 2.580 -6.033 -6.627 554 HZ2 TRP 71 HZ2 TRP 71 -1.293 -8.226 -8.837 555 HZ3 TRP 71 HZ3 TRP 71 2.528 -8.498 -6.894 556 HH2 TRP 71 HH2 TRP 71 0.596 -9.596 -7.997 557 H MET 72 H MET 72 4.712 -2.784 -7.514 558 HA MET 72 HA MET 72 5.122 -5.450 -8.725 559 HB2 MET 72 HB2 MET 72 6.151 -3.687 -10.125 560 HB3 MET 72 HB3 MET 72 7.072 -3.114 -8.742 561 HG2 MET 72 HG2 MET 72 8.217 -5.294 -8.585 562 HG3 MET 72 HG3 MET 72 7.260 -5.904 -9.936 563 HE1 MET 72 HE1 MET 72 10.979 -5.457 -11.096 564 HE2 MET 72 HE2 MET 72 9.595 -6.487 -11.448 565 HE3 MET 72 HE3 MET 72 10.079 -6.219 -9.777 566 H GLU 73 H GLU 73 5.118 -6.697 -6.941 567 HA GLU 73 HA GLU 73 6.431 -5.856 -4.494 568 HB2 GLU 73 HB2 GLU 73 4.279 -7.170 -4.532 569 HB3 GLU 73 HB3 GLU 73 5.212 -8.557 -5.100 570 HG2 GLU 73 HG2 GLU 73 6.610 -8.482 -3.097 571 HG3 GLU 73 HG3 GLU 73 5.779 -7.031 -2.543 572 H ASP 74 H ASP 74 8.344 -6.512 -3.730 573 HA ASP 74 HA ASP 74 10.325 -7.443 -5.491 574 HB2 ASP 74 HB2 ASP 74 10.277 -7.181 -2.485 575 HB3 ASP 74 HB3 ASP 74 11.707 -7.688 -3.376 576 H SER 75 H SER 75 11.477 -9.342 -5.617 577 HA SER 75 HA SER 75 10.067 -11.779 -5.426 578 HB2 SER 75 HB2 SER 75 13.016 -11.206 -5.763 579 HB3 SER 75 HB3 SER 75 12.306 -12.812 -5.892 580 HG SER 75 HG SER 75 10.872 -11.797 -7.504 581 H THR 76 H THR 76 12.373 -10.204 -3.290 582 HA THR 76 HA THR 76 13.041 -12.290 -1.567 583 HB THR 76 HB THR 76 12.668 -9.352 -0.865 584 HG1 THR 76 HG1 THR 76 14.093 -9.549 -2.559 585 HG21 THR 76 HG21 THR 76 14.594 -11.327 0.389 586 HG22 THR 76 HG22 THR 76 12.974 -11.069 1.036 587 HG23 THR 76 HG23 THR 76 14.120 -9.734 0.978 588 H GLU 77 H GLU 77 10.210 -10.156 -1.575 589 HA GLU 77 HA GLU 77 8.222 -10.204 -0.429 590 HB2 GLU 77 HB2 GLU 77 8.992 -13.079 0.177 591 HB3 GLU 77 HB3 GLU 77 7.395 -12.373 0.425 592 HG2 GLU 77 HG2 GLU 77 8.776 -12.418 -2.271 593 HG3 GLU 77 HG3 GLU 77 7.670 -13.681 -1.733 594 H GLU 78 H GLU 78 10.759 -9.431 0.854 595 HA GLU 78 HA GLU 78 10.672 -10.214 3.616 596 HB2 GLU 78 HB2 GLU 78 12.359 -8.444 3.955 597 HB3 GLU 78 HB3 GLU 78 12.786 -9.502 2.615 598 HG2 GLU 78 HG2 GLU 78 11.858 -7.834 1.022 599 HG3 GLU 78 HG3 GLU 78 11.480 -6.770 2.374 600 H GLY 79 H GLY 79 8.462 -8.464 1.952 601 HA2 GLY 79 HA2 GLY 79 6.603 -7.415 2.991 602 HA3 GLY 79 HA3 GLY 79 7.652 -6.926 4.316 603 H SER 80 H SER 80 9.305 -6.395 1.416 604 HA SER 80 HA SER 80 8.958 -3.516 1.582 605 HB2 SER 80 HB2 SER 80 10.510 -5.256 -0.367 606 HB3 SER 80 HB3 SER 80 10.610 -3.504 -0.263 607 HG SER 80 HG SER 80 12.255 -4.639 0.919 608 H VAL 81 H VAL 81 7.815 -2.267 0.184 609 HA VAL 81 HA VAL 81 6.290 -3.632 -1.962 610 HB VAL 81 HB VAL 81 5.416 -1.254 -0.278 611 HG11 VAL 81 HG11 VAL 81 3.160 -1.834 -1.428 612 HG12 VAL 81 HG12 VAL 81 4.139 -2.731 -2.589 613 HG13 VAL 81 HG13 VAL 81 4.377 -0.996 -2.391 614 HG21 VAL 81 HG21 VAL 81 5.255 -3.185 1.113 615 HG22 VAL 81 HG22 VAL 81 4.689 -4.197 -0.217 616 HG23 VAL 81 HG23 VAL 81 3.630 -2.964 0.466 617 H ALA 82 H ALA 82 6.674 -2.931 -3.941 618 HA ALA 82 HA ALA 82 7.857 -0.239 -4.311 619 HB1 ALA 82 HB1 ALA 82 9.385 -1.047 -5.816 620 HB2 ALA 82 HB2 ALA 82 8.349 -2.378 -6.332 621 HB3 ALA 82 HB3 ALA 82 9.224 -2.483 -4.806 622 H LEU 83 H LEU 83 6.780 1.076 -5.601 623 HA LEU 83 HA LEU 83 4.566 -0.000 -7.226 624 HB2 LEU 83 HB2 LEU 83 3.825 1.500 -5.399 625 HB3 LEU 83 HB3 LEU 83 4.882 2.767 -6.009 626 HG LEU 83 HG LEU 83 3.608 2.711 -8.182 627 HD11 LEU 83 HD11 LEU 83 1.814 0.826 -6.619 628 HD12 LEU 83 HD12 LEU 83 2.690 0.464 -8.106 629 HD13 LEU 83 HD13 LEU 83 1.348 1.608 -8.132 630 HD21 LEU 83 HD21 LEU 83 1.750 3.181 -5.839 631 HD22 LEU 83 HD22 LEU 83 1.795 4.041 -7.378 632 HD23 LEU 83 HD23 LEU 83 3.095 4.262 -6.207 633 H LYS 84 H LYS 84 4.865 0.054 -9.316 634 HA LYS 84 HA LYS 84 6.995 1.696 -10.464 635 HB2 LYS 84 HB2 LYS 84 6.790 -0.744 -10.983 636 HB3 LYS 84 HB3 LYS 84 5.263 -0.404 -11.788 637 HG2 LYS 84 HG2 LYS 84 6.445 1.180 -13.312 638 HG3 LYS 84 HG3 LYS 84 7.970 0.759 -12.537 639 HD2 LYS 84 HD2 LYS 84 6.167 -1.305 -13.832 640 HD3 LYS 84 HD3 LYS 84 7.468 -0.496 -14.701 641 HE2 LYS 84 HE2 LYS 84 9.092 -1.329 -13.001 642 HE3 LYS 84 HE3 LYS 84 7.778 -2.191 -12.199 643 HZ1 LYS 84 HZ1 LYS 84 8.617 -3.805 -13.567 644 HZ2 LYS 84 HZ2 LYS 84 9.032 -2.714 -14.803 645 HZ3 LYS 84 HZ3 LYS 84 7.409 -3.158 -14.564 646 H ILE 85 H ILE 85 6.547 3.611 -11.351 647 HA ILE 85 HA ILE 85 3.817 4.110 -12.378 648 HB ILE 85 HB ILE 85 4.303 5.409 -10.324 649 HG12 ILE 85 HG12 ILE 85 4.308 7.304 -12.692 650 HG13 ILE 85 HG13 ILE 85 2.909 6.300 -12.317 651 HG21 ILE 85 HG21 ILE 85 5.994 7.315 -10.581 652 HG22 ILE 85 HG22 ILE 85 6.631 6.433 -11.966 653 HG23 ILE 85 HG23 ILE 85 6.665 5.701 -10.362 654 HD11 ILE 85 HD11 ILE 85 2.666 8.515 -11.280 655 HD12 ILE 85 HD12 ILE 85 4.204 8.308 -10.444 656 HD13 ILE 85 HD13 ILE 85 2.833 7.275 -10.038 657 H ARG 86 H ARG 86 3.581 4.896 -14.390 658 HA ARG 86 HA ARG 86 5.995 5.021 -16.042 659 HB2 ARG 86 HB2 ARG 86 3.073 4.742 -16.750 660 HB3 ARG 86 HB3 ARG 86 4.381 4.829 -17.932 661 HG2 ARG 86 HG2 ARG 86 5.430 2.834 -16.939 662 HG3 ARG 86 HG3 ARG 86 4.142 2.747 -15.737 663 HD2 ARG 86 HD2 ARG 86 2.481 2.468 -17.533 664 HD3 ARG 86 HD3 ARG 86 3.770 2.524 -18.735 665 HE ARG 86 HE ARG 86 3.101 0.288 -16.998 666 HH11 ARG 86 HH11 ARG 86 5.609 1.728 -18.997 667 HH12 ARG 86 HH12 ARG 86 6.456 0.234 -19.223 668 HH21 ARG 86 HH21 ARG 86 4.247 -1.644 -17.316 669 HH22 ARG 86 HH22 ARG 86 5.688 -1.660 -18.277 670 H GLN 87 H GLN 87 6.522 6.709 -17.341 671 HA GLN 87 HA GLN 87 6.749 8.876 -18.011 672 HB2 GLN 87 HB2 GLN 87 3.718 8.938 -17.784 673 HB3 GLN 87 HB3 GLN 87 4.715 10.031 -18.737 674 HG2 GLN 87 HG2 GLN 87 4.390 7.035 -19.183 675 HG3 GLN 87 HG3 GLN 87 3.760 8.316 -20.211 676 HE21 GLN 87 HE21 GLN 87 6.252 6.114 -20.012 677 HE22 GLN 87 HE22 GLN 87 7.425 6.916 -20.933 678 H VAL 88 H VAL 88 7.396 8.633 -15.428 679 HA VAL 88 HA VAL 88 6.080 10.062 -13.471 680 HB VAL 88 HB VAL 88 8.206 8.662 -13.267 681 HG11 VAL 88 HG11 VAL 88 9.392 10.296 -15.017 682 HG12 VAL 88 HG12 VAL 88 10.311 9.503 -13.743 683 HG13 VAL 88 HG13 VAL 88 9.818 11.183 -13.558 684 HG21 VAL 88 HG21 VAL 88 8.787 9.695 -11.216 685 HG22 VAL 88 HG22 VAL 88 7.111 10.172 -11.481 686 HG23 VAL 88 HG23 VAL 88 8.421 11.305 -11.832 687 H GLN 89 H GLN 89 6.480 12.253 -12.565 688 HA GLN 89 HA GLN 89 7.182 14.263 -14.648 689 HB2 GLN 89 HB2 GLN 89 4.897 14.879 -12.787 690 HB3 GLN 89 HB3 GLN 89 5.212 15.488 -14.402 691 HG2 GLN 89 HG2 GLN 89 3.583 14.051 -15.089 692 HG3 GLN 89 HG3 GLN 89 4.765 12.771 -14.865 693 HE21 GLN 89 HE21 GLN 89 4.801 12.938 -11.876 694 HE22 GLN 89 HE22 GLN 89 3.302 12.327 -11.356 695 HA PRO 90 HA PRO 90 9.334 16.731 -11.552 696 HB2 PRO 90 HB2 PRO 90 7.360 18.923 -12.085 697 HB3 PRO 90 HB3 PRO 90 9.137 18.988 -12.057 698 HG2 PRO 90 HG2 PRO 90 7.890 19.025 -14.357 699 HG3 PRO 90 HG3 PRO 90 9.336 18.013 -14.158 700 HD2 PRO 90 HD2 PRO 90 6.453 17.177 -14.208 701 HD3 PRO 90 HD3 PRO 90 7.876 16.369 -14.914 702 H SER 91 H SER 91 5.789 16.732 -11.566 703 HA SER 91 HA SER 91 5.322 17.557 -8.904 704 HB2 SER 91 HB2 SER 91 3.687 15.820 -10.759 705 HB3 SER 91 HB3 SER 91 3.119 16.404 -9.199 706 HG SER 91 HG SER 91 2.532 18.062 -10.388 707 H ASP 92 H ASP 92 6.055 14.408 -10.352 708 HA ASP 92 HA ASP 92 5.520 12.800 -8.067 709 HB2 ASP 92 HB2 ASP 92 5.844 11.939 -10.393 710 HB3 ASP 92 HB3 ASP 92 7.563 12.295 -10.225 711 H ASP 93 H ASP 93 8.331 14.609 -9.153 712 HA ASP 93 HA ASP 93 10.282 13.678 -7.372 713 HB2 ASP 93 HB2 ASP 93 10.631 15.242 -9.314 714 HB3 ASP 93 HB3 ASP 93 9.947 16.524 -8.327 715 H GLY 94 H GLY 94 10.487 13.803 -5.246 716 HA2 GLY 94 HA2 GLY 94 10.349 15.665 -3.414 717 HA3 GLY 94 HA3 GLY 94 8.622 15.476 -3.719 718 H GLN 95 H GLN 95 8.376 14.811 -1.531 719 HA GLN 95 HA GLN 95 9.354 12.083 -0.932 720 HB2 GLN 95 HB2 GLN 95 8.680 14.422 0.847 721 HB3 GLN 95 HB3 GLN 95 8.797 12.777 1.468 722 HG2 GLN 95 HG2 GLN 95 10.962 13.731 1.782 723 HG3 GLN 95 HG3 GLN 95 11.102 12.675 0.376 724 HE21 GLN 95 HE21 GLN 95 9.921 16.071 0.803 725 HE22 GLN 95 HE22 GLN 95 10.900 16.712 -0.427 726 H TYR 96 H TYR 96 7.910 10.643 0.217 727 HA TYR 96 HA TYR 96 5.096 11.411 0.263 728 HB2 TYR 96 HB2 TYR 96 4.254 9.589 -0.994 729 HB3 TYR 96 HB3 TYR 96 5.516 10.300 -1.982 730 HD1 TYR 96 HD1 TYR 96 4.738 7.492 0.333 731 HD2 TYR 96 HD2 TYR 96 7.412 8.991 -2.673 732 HE1 TYR 96 HE1 TYR 96 5.810 5.271 0.189 733 HE2 TYR 96 HE2 TYR 96 8.485 6.756 -2.810 734 HH TYR 96 HH TYR 96 7.873 4.284 -0.497 735 H TRP 97 H TRP 97 3.842 10.230 1.716 736 HA TRP 97 HA TRP 97 5.424 8.889 3.770 737 HB2 TRP 97 HB2 TRP 97 2.609 9.982 3.768 738 HB3 TRP 97 HB3 TRP 97 3.323 9.109 5.123 739 HD1 TRP 97 HD1 TRP 97 3.485 12.405 3.248 740 HE1 TRP 97 HE1 TRP 97 4.900 14.079 4.604 741 HE3 TRP 97 HE3 TRP 97 5.305 9.294 6.867 742 HZ2 TRP 97 HZ2 TRP 97 6.580 14.097 6.914 743 HZ3 TRP 97 HZ3 TRP 97 6.810 10.168 8.636 744 HH2 TRP 97 HH2 TRP 97 7.448 12.566 8.663 745 H CYS 98 H CYS 98 5.526 6.763 3.812 746 HA CYS 98 HA CYS 98 3.591 5.099 2.407 747 HB2 CYS 98 HB2 CYS 98 6.015 4.526 2.271 748 HB3 CYS 98 HB3 CYS 98 6.068 4.372 4.023 749 H ARG 99 H ARG 99 1.715 4.732 3.459 750 HA ARG 99 HA ARG 99 1.747 4.602 6.408 751 HB2 ARG 99 HB2 ARG 99 -0.478 5.173 4.467 752 HB3 ARG 99 HB3 ARG 99 -0.711 4.979 6.200 753 HG2 ARG 99 HG2 ARG 99 0.835 6.799 6.638 754 HG3 ARG 99 HG3 ARG 99 1.112 7.021 4.910 755 HD2 ARG 99 HD2 ARG 99 -1.287 7.538 4.605 756 HD3 ARG 99 HD3 ARG 99 -1.554 7.321 6.332 757 HE ARG 99 HE ARG 99 0.491 9.238 5.974 758 HH11 ARG 99 HH11 ARG 99 -2.970 8.930 5.445 759 HH12 ARG 99 HH12 ARG 99 -3.269 10.627 5.612 760 HH21 ARG 99 HH21 ARG 99 0.055 11.443 6.190 761 HH22 ARG 99 HH22 ARG 99 -1.562 12.041 6.034 762 H PHE 100 H PHE 100 1.031 2.917 7.519 763 HA PHE 100 HA PHE 100 0.030 0.555 6.011 764 HB2 PHE 100 HB2 PHE 100 2.252 0.443 7.348 765 HB3 PHE 100 HB3 PHE 100 1.232 0.496 8.779 766 HD1 PHE 100 HD1 PHE 100 2.468 -1.543 6.048 767 HD2 PHE 100 HD2 PHE 100 -0.530 -1.297 9.119 768 HE1 PHE 100 HE1 PHE 100 2.035 -3.970 5.813 769 HE2 PHE 100 HE2 PHE 100 -0.964 -3.731 8.884 770 HZ PHE 100 HZ PHE 100 0.320 -5.064 7.231 771 H GLN 101 H GLN 101 -2.133 0.530 6.195 772 HA GLN 101 HA GLN 101 -3.361 1.489 8.700 773 HB2 GLN 101 HB2 GLN 101 -4.019 2.584 6.548 774 HB3 GLN 101 HB3 GLN 101 -4.682 1.042 6.018 775 HG2 GLN 101 HG2 GLN 101 -6.478 2.433 6.946 776 HG3 GLN 101 HG3 GLN 101 -6.209 1.038 7.988 777 HE21 GLN 101 HE21 GLN 101 -6.378 1.688 10.132 778 HE22 GLN 101 HE22 GLN 101 -5.762 3.137 10.765 779 H GLU 102 H GLU 102 -4.047 0.061 10.089 780 HA GLU 102 HA GLU 102 -5.494 -2.310 9.231 781 HB2 GLU 102 HB2 GLU 102 -3.052 -2.971 9.411 782 HB3 GLU 102 HB3 GLU 102 -3.164 -2.611 11.135 783 HG2 GLU 102 HG2 GLU 102 -5.140 -4.483 9.814 784 HG3 GLU 102 HG3 GLU 102 -3.578 -5.062 10.373 785 H GLY 103 H GLY 103 -7.279 -2.400 10.445 786 HA2 GLY 103 HA2 GLY 103 -8.767 -2.073 12.174 787 HA3 GLY 103 HA3 GLY 103 -7.389 -2.281 13.253 788 H ASP 104 H ASP 104 -7.422 -0.649 14.668 789 HA ASP 104 HA ASP 104 -8.075 2.068 13.738 790 HB2 ASP 104 HB2 ASP 104 -8.372 2.628 16.109 791 HB3 ASP 104 HB3 ASP 104 -9.383 1.265 15.639 792 H TYR 105 H TYR 105 -5.349 0.454 13.673 793 HA TYR 105 HA TYR 105 -3.702 2.689 14.715 794 HB2 TYR 105 HB2 TYR 105 -3.041 -0.264 14.771 795 HB3 TYR 105 HB3 TYR 105 -1.919 1.027 15.190 796 HD1 TYR 105 HD1 TYR 105 -4.899 -0.850 16.224 797 HD2 TYR 105 HD2 TYR 105 -2.243 2.378 17.207 798 HE1 TYR 105 HE1 TYR 105 -5.793 -0.815 18.535 799 HE2 TYR 105 HE2 TYR 105 -3.133 2.413 19.513 800 HH TYR 105 HH TYR 105 -4.956 -0.066 20.816 801 H TRP 106 H TRP 106 -2.086 3.442 13.427 802 HA TRP 106 HA TRP 106 -1.210 1.916 11.142 803 HB2 TRP 106 HB2 TRP 106 -1.643 3.684 9.469 804 HB3 TRP 106 HB3 TRP 106 -3.153 3.114 10.187 805 HD1 TRP 106 HD1 TRP 106 -0.930 6.127 9.824 806 HE1 TRP 106 HE1 TRP 106 -2.064 8.182 10.904 807 HE3 TRP 106 HE3 TRP 106 -4.836 3.842 12.206 808 HZ2 TRP 106 HZ2 TRP 106 -4.320 8.773 12.554 809 HZ3 TRP 106 HZ3 TRP 106 -6.459 5.179 13.525 810 HH2 TRP 106 HH2 TRP 106 -6.203 7.640 13.699 811 H ARG 107 H ARG 107 0.674 2.877 10.066 812 HA ARG 107 HA ARG 107 2.118 4.850 11.733 813 HB2 ARG 107 HB2 ARG 107 2.913 2.516 12.255 814 HB3 ARG 107 HB3 ARG 107 3.404 2.358 10.571 815 HG2 ARG 107 HG2 ARG 107 5.383 3.032 11.773 816 HG3 ARG 107 HG3 ARG 107 4.821 4.462 10.918 817 HD2 ARG 107 HD2 ARG 107 3.712 5.270 12.975 818 HD3 ARG 107 HD3 ARG 107 4.240 3.825 13.829 819 HE ARG 107 HE ARG 107 6.407 4.716 13.932 820 HH11 ARG 107 HH11 ARG 107 4.389 6.744 11.900 821 HH12 ARG 107 HH12 ARG 107 5.551 8.025 11.820 822 HH21 ARG 107 HH21 ARG 107 7.899 6.404 13.786 823 HH22 ARG 107 HH22 ARG 107 7.523 7.833 12.882 824 H GLU 108 H GLU 108 3.251 6.363 10.596 825 HA GLU 108 HA GLU 108 3.339 6.054 7.652 826 HB2 GLU 108 HB2 GLU 108 2.681 8.386 7.417 827 HB3 GLU 108 HB3 GLU 108 1.496 7.518 8.395 828 HG2 GLU 108 HG2 GLU 108 2.524 8.388 10.462 829 HG3 GLU 108 HG3 GLU 108 3.711 9.271 9.507 830 H THR 109 H THR 109 5.156 6.693 6.592 831 HA THR 109 HA THR 109 7.172 8.321 7.951 832 HB THR 109 HB THR 109 7.735 6.038 8.639 833 HG1 THR 109 HG1 THR 109 9.373 7.588 8.058 834 HG21 THR 109 HG21 THR 109 8.352 4.347 6.979 835 HG22 THR 109 HG22 THR 109 7.941 5.450 5.671 836 HG23 THR 109 HG23 THR 109 6.680 4.845 6.747 837 H SER 110 H SER 110 8.448 9.513 6.552 838 HA SER 110 HA SER 110 7.582 9.609 3.802 839 HB2 SER 110 HB2 SER 110 7.816 11.721 4.742 840 HB3 SER 110 HB3 SER 110 9.393 11.348 5.448 841 HG SER 110 HG SER 110 10.264 11.891 3.605 842 H VAL 111 H VAL 111 8.747 9.235 1.958 843 HA VAL 111 HA VAL 111 11.432 8.000 2.232 844 HB VAL 111 HB VAL 111 9.364 7.373 0.088 845 HG11 VAL 111 HG11 VAL 111 11.976 5.983 0.746 846 HG12 VAL 111 HG12 VAL 111 11.782 7.157 -0.552 847 HG13 VAL 111 HG13 VAL 111 10.903 5.629 -0.609 848 HG21 VAL 111 HG21 VAL 111 8.787 5.406 1.234 849 HG22 VAL 111 HG22 VAL 111 8.980 6.525 2.577 850 HG23 VAL 111 HG23 VAL 111 10.269 5.389 2.184 851 H LEU 112 H LEU 112 13.053 8.674 0.738 852 HA LEU 112 HA LEU 112 12.456 11.280 -0.496 853 HB2 LEU 112 HB2 LEU 112 15.021 9.843 0.176 854 HB3 LEU 112 HB3 LEU 112 14.985 11.369 -0.703 855 HG LEU 112 HG LEU 112 13.596 11.042 1.969 856 HD11 LEU 112 HD11 LEU 112 16.383 12.156 1.534 857 HD12 LEU 112 HD12 LEU 112 16.081 10.511 2.094 858 HD13 LEU 112 HD13 LEU 112 15.564 11.884 3.073 859 HD21 LEU 112 HD21 LEU 112 13.170 13.018 0.300 860 HD22 LEU 112 HD22 LEU 112 14.779 13.555 0.743 861 HD23 LEU 112 HD23 LEU 112 13.527 13.418 1.975 862 H LEU 113 H LEU 113 11.675 11.130 -2.550 863 HA LEU 113 HA LEU 113 13.423 9.816 -4.519 864 HB2 LEU 113 HB2 LEU 113 10.412 9.625 -4.759 865 HB3 LEU 113 HB3 LEU 113 11.629 8.885 -5.798 866 HG LEU 113 HG LEU 113 12.455 7.758 -3.506 867 HD11 LEU 113 HD11 LEU 113 10.269 7.160 -2.218 868 HD12 LEU 113 HD12 LEU 113 9.616 8.617 -2.950 869 HD13 LEU 113 HD13 LEU 113 11.021 8.714 -1.897 870 HD21 LEU 113 HD21 LEU 113 10.014 6.878 -5.073 871 HD22 LEU 113 HD22 LEU 113 10.921 5.832 -3.983 872 HD23 LEU 113 HD23 LEU 113 11.688 6.474 -5.436 873 H GLN 114 H GLN 114 14.214 11.445 -5.680 874 HA GLN 114 HA GLN 114 12.324 13.538 -6.597 875 HB2 GLN 114 HB2 GLN 114 15.282 13.862 -6.015 876 HB3 GLN 114 HB3 GLN 114 14.221 15.116 -6.654 877 HG2 GLN 114 HG2 GLN 114 14.251 15.575 -4.347 878 HG3 GLN 114 HG3 GLN 114 12.764 14.651 -4.539 879 HE21 GLN 114 HE21 GLN 114 12.579 13.223 -2.815 880 HE22 GLN 114 HE22 GLN 114 13.857 12.325 -2.152 881 H VAL 115 H VAL 115 12.075 13.744 -8.720 882 HA VAL 115 HA VAL 115 13.862 12.206 -10.480 883 HB VAL 115 HB VAL 115 11.118 13.392 -11.091 884 HG11 VAL 115 HG11 VAL 115 11.261 12.640 -13.213 885 HG12 VAL 115 HG12 VAL 115 12.221 11.226 -12.808 886 HG13 VAL 115 HG13 VAL 115 12.989 12.801 -12.965 887 HG21 VAL 115 HG21 VAL 115 10.704 11.632 -9.552 888 HG22 VAL 115 HG22 VAL 115 12.029 10.649 -10.177 889 HG23 VAL 115 HG23 VAL 115 10.554 10.836 -11.117 890 H ALA 116 H ALA 116 15.301 13.198 -11.708 891 HA ALA 116 HA ALA 116 15.639 16.025 -11.680 892 HB1 ALA 116 HB1 ALA 116 16.911 13.804 -13.278 893 HB2 ALA 116 HB2 ALA 116 17.603 14.728 -11.944 894 HB3 ALA 116 HB3 ALA 116 17.349 15.498 -13.510 895 H ALA 117 H ALA 117 15.103 17.568 -13.171 896 HA ALA 117 HA ALA 117 13.032 16.878 -15.085 897 HB1 ALA 117 HB1 ALA 117 13.089 19.418 -15.483 898 HB2 ALA 117 HB2 ALA 117 14.196 19.481 -14.111 899 HB3 ALA 117 HB3 ALA 117 12.560 18.855 -13.898 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 5.961 -4.798 18.541 2 H2 MET 1 HT2 MET 1 5.308 -5.989 17.519 3 H3 MET 1 HT3 MET 1 5.907 -6.413 19.052 4 HA MET 1 HA MET 1 3.568 -6.403 19.238 5 HB2 MET 1 HB2 MET 1 4.720 -3.806 20.325 6 HB3 MET 1 HB3 MET 1 3.223 -4.560 20.873 7 HG2 MET 1 HG2 MET 1 4.451 -6.541 21.614 8 HG3 MET 1 HG3 MET 1 5.957 -5.870 20.989 9 HE1 MET 1 HE1 MET 1 5.764 -6.663 24.328 10 HE2 MET 1 HE2 MET 1 7.033 -5.448 24.428 11 HE3 MET 1 HE3 MET 1 6.919 -6.468 22.999 12 H ASP 2 H ASP 2 4.509 -3.063 18.359 13 HA ASP 2 HA ASP 2 1.933 -2.597 17.094 14 HB2 ASP 2 HB2 ASP 2 2.662 -0.298 16.872 15 HB3 ASP 2 HB3 ASP 2 3.038 -0.852 18.498 16 H PHE 3 H PHE 3 2.275 -1.115 14.959 17 HA PHE 3 HA PHE 3 3.796 -2.800 13.060 18 HB2 PHE 3 HB2 PHE 3 1.356 -1.059 12.595 19 HB3 PHE 3 HB3 PHE 3 2.210 -1.961 11.343 20 HD1 PHE 3 HD1 PHE 3 -0.036 -2.181 14.233 21 HD2 PHE 3 HD2 PHE 3 2.167 -4.431 11.312 22 HE1 PHE 3 HE1 PHE 3 -1.347 -4.204 14.805 23 HE2 PHE 3 HE2 PHE 3 0.855 -6.457 11.887 24 HZ PHE 3 HZ PHE 3 -0.902 -6.341 13.634 25 H ARG 4 H ARG 4 5.171 -1.821 11.566 26 HA ARG 4 HA ARG 4 5.413 1.094 11.645 27 HB2 ARG 4 HB2 ARG 4 6.948 0.240 13.396 28 HB3 ARG 4 HB3 ARG 4 7.796 -0.698 12.168 29 HG2 ARG 4 HG2 ARG 4 8.404 1.339 10.961 30 HG3 ARG 4 HG3 ARG 4 7.445 2.320 12.068 31 HD2 ARG 4 HD2 ARG 4 9.769 2.473 12.654 32 HD3 ARG 4 HD3 ARG 4 8.920 1.605 13.924 33 HE ARG 4 HE ARG 4 10.730 0.400 11.899 34 HH11 ARG 4 HH11 ARG 4 8.938 0.045 14.930 35 HH12 ARG 4 HH12 ARG 4 9.727 -1.436 15.335 36 HH21 ARG 4 HH21 ARG 4 11.714 -1.536 12.506 37 HH22 ARG 4 HH22 ARG 4 11.275 -2.322 13.984 38 H VAL 5 H VAL 5 6.448 2.043 9.974 39 HA VAL 5 HA VAL 5 6.937 0.408 7.562 40 HB VAL 5 HB VAL 5 5.817 3.215 7.780 41 HG11 VAL 5 HG11 VAL 5 6.247 1.425 5.357 42 HG12 VAL 5 HG12 VAL 5 7.152 2.893 5.729 43 HG13 VAL 5 HG13 VAL 5 5.435 2.989 5.333 44 HG21 VAL 5 HG21 VAL 5 4.431 0.677 6.834 45 HG22 VAL 5 HG22 VAL 5 3.697 2.269 7.036 46 HG23 VAL 5 HG23 VAL 5 4.237 1.363 8.448 47 H VAL 6 H VAL 6 8.834 0.898 6.408 48 HA VAL 6 HA VAL 6 10.712 2.707 7.789 49 HB VAL 6 HB VAL 6 11.313 0.622 5.667 50 HG11 VAL 6 HG11 VAL 6 13.094 2.333 7.414 51 HG12 VAL 6 HG12 VAL 6 13.024 2.305 5.653 52 HG13 VAL 6 HG13 VAL 6 13.672 0.919 6.530 53 HG21 VAL 6 HG21 VAL 6 10.528 -0.454 7.734 54 HG22 VAL 6 HG22 VAL 6 11.627 0.537 8.692 55 HG23 VAL 6 HG23 VAL 6 12.271 -0.678 7.588 56 H GLY 7 H GLY 7 10.931 4.630 7.034 57 HA2 GLY 7 HA2 GLY 7 10.407 5.234 4.197 58 HA3 GLY 7 HA3 GLY 7 10.198 6.359 5.523 59 HA PRO 8 HA PRO 8 14.574 7.770 5.589 60 HB2 PRO 8 HB2 PRO 8 15.874 5.363 6.774 61 HB3 PRO 8 HB3 PRO 8 16.065 7.079 7.191 62 HG2 PRO 8 HG2 PRO 8 14.642 5.516 8.737 63 HG3 PRO 8 HG3 PRO 8 14.070 7.155 8.362 64 HD2 PRO 8 HD2 PRO 8 13.116 4.536 7.259 65 HD3 PRO 8 HD3 PRO 8 12.181 5.987 7.689 66 H ASN 9 H ASN 9 13.897 4.746 4.106 67 HA ASN 9 HA ASN 9 16.031 3.702 2.916 68 HB2 ASN 9 HB2 ASN 9 13.496 4.460 1.456 69 HB3 ASN 9 HB3 ASN 9 14.682 3.288 0.890 70 HD21 ASN 9 HD21 ASN 9 11.746 3.051 1.944 71 HD22 ASN 9 HD22 ASN 9 11.851 1.790 3.075 72 H LEU 10 H LEU 10 17.225 3.953 1.028 73 HA LEU 10 HA LEU 10 18.363 6.497 0.651 74 HB2 LEU 10 HB2 LEU 10 18.658 3.915 -0.892 75 HB3 LEU 10 HB3 LEU 10 19.530 5.378 -1.335 76 HG LEU 10 HG LEU 10 20.462 5.451 1.012 77 HD11 LEU 10 HD11 LEU 10 19.010 2.802 1.177 78 HD12 LEU 10 HD12 LEU 10 18.947 4.154 2.307 79 HD13 LEU 10 HD13 LEU 10 20.398 3.160 2.206 80 HD21 LEU 10 HD21 LEU 10 22.157 3.777 0.578 81 HD22 LEU 10 HD22 LEU 10 21.656 4.455 -0.970 82 HD23 LEU 10 HD23 LEU 10 21.062 2.872 -0.469 83 HA PRO 11 HA PRO 11 15.862 8.438 -2.405 84 HB2 PRO 11 HB2 PRO 11 17.642 9.768 -3.980 85 HB3 PRO 11 HB3 PRO 11 17.226 10.277 -2.329 86 HG2 PRO 11 HG2 PRO 11 19.584 8.718 -3.280 87 HG3 PRO 11 HG3 PRO 11 19.513 10.062 -2.125 88 HD2 PRO 11 HD2 PRO 11 19.695 7.505 -1.285 89 HD3 PRO 11 HD3 PRO 11 18.752 8.716 -0.383 90 H ILE 12 H ILE 12 14.926 8.023 -4.388 91 HA ILE 12 HA ILE 12 16.325 6.115 -6.182 92 HB ILE 12 HB ILE 12 13.326 6.564 -5.854 93 HG12 ILE 12 HG12 ILE 12 14.972 4.124 -5.086 94 HG13 ILE 12 HG13 ILE 12 14.582 5.398 -3.934 95 HG21 ILE 12 HG21 ILE 12 13.674 5.831 -8.094 96 HG22 ILE 12 HG22 ILE 12 13.325 4.343 -7.216 97 HG23 ILE 12 HG23 ILE 12 14.989 4.753 -7.627 98 HD11 ILE 12 HD11 ILE 12 12.194 5.016 -4.239 99 HD12 ILE 12 HD12 ILE 12 12.967 3.480 -3.847 100 HD13 ILE 12 HD13 ILE 12 12.512 3.838 -5.514 101 H LEU 13 H LEU 13 16.925 6.870 -8.125 102 HA LEU 13 HA LEU 13 15.823 9.442 -9.020 103 HB2 LEU 13 HB2 LEU 13 18.489 8.126 -9.278 104 HB3 LEU 13 HB3 LEU 13 17.968 9.127 -10.630 105 HG LEU 13 HG LEU 13 17.471 10.956 -8.897 106 HD11 LEU 13 HD11 LEU 13 18.757 10.749 -6.772 107 HD12 LEU 13 HD12 LEU 13 19.147 9.082 -7.196 108 HD13 LEU 13 HD13 LEU 13 17.473 9.546 -6.896 109 HD21 LEU 13 HD21 LEU 13 19.440 11.027 -10.377 110 HD22 LEU 13 HD22 LEU 13 20.333 9.997 -9.257 111 HD23 LEU 13 HD23 LEU 13 19.862 11.626 -8.772 112 H ALA 14 H ALA 14 14.564 9.594 -10.699 113 HA ALA 14 HA ALA 14 14.682 7.571 -12.830 114 HB1 ALA 14 HB1 ALA 14 12.191 7.611 -12.964 115 HB2 ALA 14 HB2 ALA 14 12.157 8.558 -11.478 116 HB3 ALA 14 HB3 ALA 14 12.786 6.911 -11.459 117 H LYS 15 H LYS 15 14.593 8.422 -14.839 118 HA LYS 15 HA LYS 15 14.737 11.281 -15.147 119 HB2 LYS 15 HB2 LYS 15 14.757 9.024 -17.160 120 HB3 LYS 15 HB3 LYS 15 15.008 10.725 -17.569 121 HG2 LYS 15 HG2 LYS 15 16.973 10.830 -16.129 122 HG3 LYS 15 HG3 LYS 15 16.693 9.182 -15.570 123 HD2 LYS 15 HD2 LYS 15 18.401 9.035 -17.251 124 HD3 LYS 15 HD3 LYS 15 16.920 8.441 -17.999 125 HE2 LYS 15 HE2 LYS 15 16.558 10.623 -19.071 126 HE3 LYS 15 HE3 LYS 15 17.996 11.268 -18.280 127 HZ1 LYS 15 HZ1 LYS 15 17.788 9.329 -20.472 128 HZ2 LYS 15 HZ2 LYS 15 19.110 9.220 -19.409 129 HZ3 LYS 15 HZ3 LYS 15 18.842 10.646 -20.295 130 H VAL 16 H VAL 16 13.308 12.661 -16.187 131 HA VAL 16 HA VAL 16 10.549 12.113 -15.958 132 HB VAL 16 HB VAL 16 11.431 14.406 -15.878 133 HG11 VAL 16 HG11 VAL 16 12.313 15.530 -17.816 134 HG12 VAL 16 HG12 VAL 16 11.917 14.164 -18.859 135 HG13 VAL 16 HG13 VAL 16 13.193 14.011 -17.650 136 HG21 VAL 16 HG21 VAL 16 9.676 15.474 -17.087 137 HG22 VAL 16 HG22 VAL 16 9.050 13.866 -16.720 138 HG23 VAL 16 HG23 VAL 16 9.662 14.226 -18.334 139 H GLY 17 H GLY 17 9.063 11.343 -17.335 140 HA2 GLY 17 HA2 GLY 17 8.142 10.705 -19.438 141 HA3 GLY 17 HA3 GLY 17 9.753 10.781 -20.148 142 H GLU 18 H GLU 18 10.743 9.312 -17.639 143 HA GLU 18 HA GLU 18 10.137 6.576 -18.520 144 HB2 GLU 18 HB2 GLU 18 12.544 7.407 -18.344 145 HB3 GLU 18 HB3 GLU 18 12.298 7.479 -16.600 146 HG2 GLU 18 HG2 GLU 18 11.771 5.083 -16.545 147 HG3 GLU 18 HG3 GLU 18 11.927 4.989 -18.297 148 H ASP 19 H ASP 19 9.769 4.966 -16.773 149 HA ASP 19 HA ASP 19 7.860 5.980 -14.885 150 HB2 ASP 19 HB2 ASP 19 7.642 3.612 -14.180 151 HB3 ASP 19 HB3 ASP 19 7.494 3.818 -15.930 152 H ALA 20 H ALA 20 7.929 5.635 -12.581 153 HA ALA 20 HA ALA 20 10.657 5.707 -11.442 154 HB1 ALA 20 HB1 ALA 20 8.345 7.542 -11.085 155 HB2 ALA 20 HB2 ALA 20 10.072 7.886 -11.062 156 HB3 ALA 20 HB3 ALA 20 9.298 7.176 -9.646 157 H LEU 21 H LEU 21 10.753 5.097 -9.121 158 HA LEU 21 HA LEU 21 8.790 2.950 -8.547 159 HB2 LEU 21 HB2 LEU 21 11.088 2.154 -9.072 160 HB3 LEU 21 HB3 LEU 21 11.711 3.110 -7.732 161 HG LEU 21 HG LEU 21 10.230 1.797 -6.176 162 HD11 LEU 21 HD11 LEU 21 9.452 -0.471 -7.207 163 HD12 LEU 21 HD12 LEU 21 9.599 0.355 -8.758 164 HD13 LEU 21 HD13 LEU 21 8.482 0.965 -7.539 165 HD21 LEU 21 HD21 LEU 21 11.581 -0.365 -6.424 166 HD22 LEU 21 HD22 LEU 21 12.530 1.118 -6.318 167 HD23 LEU 21 HD23 LEU 21 12.273 0.347 -7.883 168 H LEU 22 H LEU 22 7.536 3.250 -6.865 169 HA LEU 22 HA LEU 22 8.348 5.083 -4.671 170 HB2 LEU 22 HB2 LEU 22 5.555 4.018 -5.248 171 HB3 LEU 22 HB3 LEU 22 5.987 5.340 -4.175 172 HG LEU 22 HG LEU 22 6.312 5.377 -7.204 173 HD11 LEU 22 HD11 LEU 22 3.947 5.392 -6.430 174 HD12 LEU 22 HD12 LEU 22 4.411 6.908 -7.200 175 HD13 LEU 22 HD13 LEU 22 4.304 6.808 -5.443 176 HD21 LEU 22 HD21 LEU 22 6.823 7.746 -6.924 177 HD22 LEU 22 HD22 LEU 22 7.917 6.821 -5.897 178 HD23 LEU 22 HD23 LEU 22 6.526 7.642 -5.189 179 H THR 23 H THR 23 9.278 3.841 -3.019 180 HA THR 23 HA THR 23 7.824 1.376 -2.269 181 HB THR 23 HB THR 23 9.619 0.684 -3.749 182 HG1 THR 23 HG1 THR 23 10.084 -0.934 -2.480 183 HG21 THR 23 HG21 THR 23 11.105 2.682 -3.163 184 HG22 THR 23 HG22 THR 23 11.922 1.128 -3.326 185 HG23 THR 23 HG23 THR 23 11.577 1.778 -1.723 186 H CYS 24 H CYS 24 8.069 0.559 -0.271 187 HA CYS 24 HA CYS 24 9.629 1.901 1.777 188 HB2 CYS 24 HB2 CYS 24 7.684 2.273 3.241 189 HB3 CYS 24 HB3 CYS 24 7.528 3.210 1.751 190 H GLN 25 H GLN 25 9.490 0.633 3.875 191 HA GLN 25 HA GLN 25 9.072 -2.259 3.273 192 HB2 GLN 25 HB2 GLN 25 10.719 -1.310 5.630 193 HB3 GLN 25 HB3 GLN 25 10.811 -2.822 4.759 194 HG2 GLN 25 HG2 GLN 25 11.605 -0.179 3.486 195 HG3 GLN 25 HG3 GLN 25 12.744 -1.214 4.336 196 HE21 GLN 25 HE21 GLN 25 11.289 -0.647 1.293 197 HE22 GLN 25 HE22 GLN 25 11.767 -2.091 0.543 198 H LEU 26 H LEU 26 7.342 -3.178 4.224 199 HA LEU 26 HA LEU 26 6.555 -2.256 6.915 200 HB2 LEU 26 HB2 LEU 26 4.164 -2.412 6.299 201 HB3 LEU 26 HB3 LEU 26 5.034 -1.168 5.407 202 HG LEU 26 HG LEU 26 5.370 -3.136 3.612 203 HD11 LEU 26 HD11 LEU 26 4.365 -4.963 4.741 204 HD12 LEU 26 HD12 LEU 26 3.157 -4.466 3.565 205 HD13 LEU 26 HD13 LEU 26 2.987 -3.998 5.258 206 HD21 LEU 26 HD21 LEU 26 3.423 -2.306 2.411 207 HD22 LEU 26 HD22 LEU 26 4.121 -0.957 3.306 208 HD23 LEU 26 HD23 LEU 26 2.673 -1.761 3.912 209 H LEU 27 H LEU 27 5.464 -3.778 8.233 210 HA LEU 27 HA LEU 27 5.828 -6.587 7.363 211 HB2 LEU 27 HB2 LEU 27 7.466 -5.898 9.094 212 HB3 LEU 27 HB3 LEU 27 6.140 -5.456 10.164 213 HG LEU 27 HG LEU 27 5.325 -7.842 10.038 214 HD11 LEU 27 HD11 LEU 27 6.325 -8.572 7.954 215 HD12 LEU 27 HD12 LEU 27 7.021 -9.543 9.252 216 HD13 LEU 27 HD13 LEU 27 7.946 -8.213 8.552 217 HD21 LEU 27 HD21 LEU 27 7.007 -8.713 11.582 218 HD22 LEU 27 HD22 LEU 27 6.769 -6.994 11.895 219 HD23 LEU 27 HD23 LEU 27 8.187 -7.540 11.000 220 HA PRO 28 HA PRO 28 1.288 -6.297 8.297 221 HB2 PRO 28 HB2 PRO 28 0.489 -8.479 6.925 222 HB3 PRO 28 HB3 PRO 28 0.873 -6.943 6.113 223 HG2 PRO 28 HG2 PRO 28 2.564 -9.384 6.421 224 HG3 PRO 28 HG3 PRO 28 2.284 -8.384 4.981 225 HD2 PRO 28 HD2 PRO 28 4.519 -8.120 6.495 226 HD3 PRO 28 HD3 PRO 28 3.773 -6.737 5.659 227 H LYS 29 H LYS 29 -0.035 -7.430 9.758 228 HA LYS 29 HA LYS 29 1.197 -9.116 11.685 229 HB2 LYS 29 HB2 LYS 29 -0.804 -7.720 12.167 230 HB3 LYS 29 HB3 LYS 29 -1.760 -8.736 11.093 231 HG2 LYS 29 HG2 LYS 29 -1.311 -10.693 12.528 232 HG3 LYS 29 HG3 LYS 29 -0.336 -9.688 13.601 233 HD2 LYS 29 HD2 LYS 29 -2.302 -8.282 14.084 234 HD3 LYS 29 HD3 LYS 29 -3.282 -9.278 13.007 235 HE2 LYS 29 HE2 LYS 29 -2.844 -11.247 14.404 236 HE3 LYS 29 HE3 LYS 29 -1.851 -10.269 15.486 237 HZ1 LYS 29 HZ1 LYS 29 -3.995 -8.809 15.566 238 HZ2 LYS 29 HZ2 LYS 29 -3.859 -10.191 16.545 239 HZ3 LYS 29 HZ3 LYS 29 -4.762 -10.250 15.108 240 H ARG 30 H ARG 30 -1.044 -9.748 9.034 241 HA ARG 30 HA ARG 30 0.077 -12.340 8.497 242 HB2 ARG 30 HB2 ARG 30 -2.048 -13.601 8.822 243 HB3 ARG 30 HB3 ARG 30 -1.411 -12.977 10.341 244 HG2 ARG 30 HG2 ARG 30 -2.959 -10.976 10.045 245 HG3 ARG 30 HG3 ARG 30 -3.706 -11.848 8.707 246 HD2 ARG 30 HD2 ARG 30 -3.477 -12.909 11.536 247 HD3 ARG 30 HD3 ARG 30 -4.921 -12.159 10.863 248 HE ARG 30 HE ARG 30 -4.229 -14.217 9.117 249 HH11 ARG 30 HH11 ARG 30 -5.154 -13.951 12.500 250 HH12 ARG 30 HH12 ARG 30 -5.868 -15.528 12.556 251 HH21 ARG 30 HH21 ARG 30 -5.174 -16.272 9.237 252 HH22 ARG 30 HH22 ARG 30 -5.877 -16.832 10.717 253 H THR 31 H THR 31 -0.037 -12.676 6.357 254 HA THR 31 HA THR 31 -0.362 -12.117 4.155 255 HB THR 31 HB THR 31 -2.141 -13.792 4.627 256 HG1 THR 31 HG1 THR 31 -1.901 -12.879 2.540 257 HG21 THR 31 HG21 THR 31 -4.508 -12.870 4.815 258 HG22 THR 31 HG22 THR 31 -3.774 -11.315 5.207 259 HG23 THR 31 HG23 THR 31 -3.507 -12.706 6.257 260 H THR 32 H THR 32 -2.438 -10.783 2.799 261 HA THR 32 HA THR 32 -2.469 -8.070 3.946 262 HB THR 32 HB THR 32 -0.592 -8.084 2.395 263 HG1 THR 32 HG1 THR 32 -1.248 -6.188 1.847 264 HG21 THR 32 HG21 THR 32 -1.531 -10.006 0.998 265 HG22 THR 32 HG22 THR 32 -0.788 -8.690 0.087 266 HG23 THR 32 HG23 THR 32 -2.545 -8.804 0.197 267 H ALA 33 H ALA 33 -4.488 -10.170 3.703 268 HA ALA 33 HA ALA 33 -6.351 -9.645 1.658 269 HB1 ALA 33 HB1 ALA 33 -7.907 -10.932 2.954 270 HB2 ALA 33 HB2 ALA 33 -6.981 -10.667 4.431 271 HB3 ALA 33 HB3 ALA 33 -6.318 -11.674 3.143 272 H HIS 34 H HIS 34 -5.894 -8.215 4.862 273 HA HIS 34 HA HIS 34 -8.007 -6.243 4.203 274 HB2 HIS 34 HB2 HIS 34 -7.204 -7.248 6.949 275 HB3 HIS 34 HB3 HIS 34 -8.391 -5.980 6.635 276 HD2 HIS 34 HD2 HIS 34 -8.316 -9.782 6.979 277 HE1 HIS 34 HE1 HIS 34 -11.904 -8.885 4.943 278 HE2 HIS 34 HE2 HIS 34 -10.613 -10.706 6.154 279 H MET 35 H MET 35 -4.757 -6.441 4.222 280 HA MET 35 HA MET 35 -4.076 -4.071 5.769 281 HB2 MET 35 HB2 MET 35 -2.524 -5.973 4.018 282 HB3 MET 35 HB3 MET 35 -1.807 -4.455 4.556 283 HG2 MET 35 HG2 MET 35 -1.180 -6.117 6.178 284 HG3 MET 35 HG3 MET 35 -2.427 -5.122 6.930 285 HE1 MET 35 HE1 MET 35 -1.561 -8.453 7.654 286 HE2 MET 35 HE2 MET 35 -3.127 -8.520 8.460 287 HE3 MET 35 HE3 MET 35 -2.180 -7.035 8.518 288 H GLU 36 H GLU 36 -3.550 -2.055 5.037 289 HA GLU 36 HA GLU 36 -3.959 -1.498 2.143 290 HB2 GLU 36 HB2 GLU 36 -4.938 0.197 4.452 291 HB3 GLU 36 HB3 GLU 36 -5.108 0.583 2.743 292 HG2 GLU 36 HG2 GLU 36 -6.447 -1.484 2.435 293 HG3 GLU 36 HG3 GLU 36 -6.315 -1.814 4.158 294 H VAL 37 H VAL 37 -2.510 -0.174 1.196 295 HA VAL 37 HA VAL 37 -0.606 1.298 2.910 296 HB VAL 37 HB VAL 37 0.075 -0.232 0.367 297 HG11 VAL 37 HG11 VAL 37 1.894 1.293 2.262 298 HG12 VAL 37 HG12 VAL 37 1.372 1.883 0.685 299 HG13 VAL 37 HG13 VAL 37 2.384 0.444 0.795 300 HG21 VAL 37 HG21 VAL 37 1.376 -1.701 1.822 301 HG22 VAL 37 HG22 VAL 37 -0.284 -1.649 2.414 302 HG23 VAL 37 HG23 VAL 37 0.974 -0.719 3.230 303 H ARG 38 H ARG 38 -0.494 3.414 2.442 304 HA ARG 38 HA ARG 38 -1.641 4.321 -0.143 305 HB2 ARG 38 HB2 ARG 38 -1.789 5.561 2.602 306 HB3 ARG 38 HB3 ARG 38 -2.237 6.416 1.125 307 HG2 ARG 38 HG2 ARG 38 -3.959 4.801 0.626 308 HG3 ARG 38 HG3 ARG 38 -3.422 3.748 1.936 309 HD2 ARG 38 HD2 ARG 38 -4.046 5.407 3.588 310 HD3 ARG 38 HD3 ARG 38 -4.468 6.563 2.326 311 HE ARG 38 HE ARG 38 -6.485 5.427 2.018 312 HH11 ARG 38 HH11 ARG 38 -4.354 3.455 3.994 313 HH12 ARG 38 HH12 ARG 38 -5.592 2.311 4.398 314 HH21 ARG 38 HH21 ARG 38 -8.071 3.920 2.582 315 HH22 ARG 38 HH22 ARG 38 -7.682 2.578 3.603 316 H TRP 39 H TRP 39 -0.611 5.803 -1.336 317 HA TRP 39 HA TRP 39 1.998 6.815 -0.365 318 HB2 TRP 39 HB2 TRP 39 1.151 6.080 -3.188 319 HB3 TRP 39 HB3 TRP 39 2.675 6.859 -2.772 320 HD1 TRP 39 HD1 TRP 39 4.580 5.362 -1.694 321 HE1 TRP 39 HE1 TRP 39 4.833 2.827 -1.359 322 HE3 TRP 39 HE3 TRP 39 -0.209 3.848 -2.663 323 HZ2 TRP 39 HZ2 TRP 39 3.236 0.467 -1.482 324 HZ3 TRP 39 HZ3 TRP 39 -0.809 1.444 -2.545 325 HH2 TRP 39 HH2 TRP 39 0.909 -0.246 -1.956 326 H TYR 40 H TYR 40 2.326 9.012 -0.507 327 HA TYR 40 HA TYR 40 0.164 10.636 -1.744 328 HB2 TYR 40 HB2 TYR 40 1.691 11.185 0.813 329 HB3 TYR 40 HB3 TYR 40 0.535 12.284 0.068 330 HD1 TYR 40 HD1 TYR 40 0.948 9.070 1.840 331 HD2 TYR 40 HD2 TYR 40 -1.855 11.836 0.127 332 HE1 TYR 40 HE1 TYR 40 -0.910 7.912 3.008 333 HE2 TYR 40 HE2 TYR 40 -3.712 10.678 1.291 334 HH TYR 40 HH TYR 40 -3.996 9.238 3.318 335 H ARG 41 H ARG 41 0.809 12.091 -3.205 336 HA ARG 41 HA ARG 41 3.649 12.577 -3.684 337 HB2 ARG 41 HB2 ARG 41 2.089 12.203 -5.595 338 HB3 ARG 41 HB3 ARG 41 1.206 13.657 -5.138 339 HG2 ARG 41 HG2 ARG 41 3.230 15.016 -5.503 340 HG3 ARG 41 HG3 ARG 41 4.135 13.573 -5.956 341 HD2 ARG 41 HD2 ARG 41 1.666 14.606 -7.388 342 HD3 ARG 41 HD3 ARG 41 3.318 14.832 -7.931 343 HE ARG 41 HE ARG 41 3.475 12.484 -8.384 344 HH11 ARG 41 HH11 ARG 41 0.228 13.411 -7.336 345 HH12 ARG 41 HH12 ARG 41 -0.496 11.983 -7.982 346 HH21 ARG 41 HH21 ARG 41 2.449 10.658 -9.224 347 HH22 ARG 41 HH22 ARG 41 0.741 10.442 -9.037 348 H SER 42 H SER 42 4.225 13.728 -1.782 349 HA SER 42 HA SER 42 4.478 15.555 -0.402 350 HB2 SER 42 HB2 SER 42 3.933 16.984 -3.010 351 HB3 SER 42 HB3 SER 42 4.624 17.727 -1.572 352 HG SER 42 HG SER 42 5.707 15.420 -2.833 353 H ASP 43 H ASP 43 1.610 14.524 -0.944 354 HA ASP 43 HA ASP 43 0.252 16.722 0.428 355 HB2 ASP 43 HB2 ASP 43 -0.792 15.335 -2.056 356 HB3 ASP 43 HB3 ASP 43 -1.787 16.335 -0.995 357 HA PRO 44 HA PRO 44 -0.305 12.570 2.538 358 HB2 PRO 44 HB2 PRO 44 -0.680 13.655 5.051 359 HB3 PRO 44 HB3 PRO 44 0.898 13.194 4.379 360 HG2 PRO 44 HG2 PRO 44 -0.382 15.884 4.508 361 HG3 PRO 44 HG3 PRO 44 1.303 15.419 4.816 362 HD2 PRO 44 HD2 PRO 44 0.605 16.567 2.495 363 HD3 PRO 44 HD3 PRO 44 1.826 15.269 2.540 364 H ASP 45 H ASP 45 -2.176 15.547 2.700 365 HA ASP 45 HA ASP 45 -4.540 14.500 3.869 366 HB2 ASP 45 HB2 ASP 45 -4.035 16.919 2.141 367 HB3 ASP 45 HB3 ASP 45 -5.610 16.544 2.839 368 H MET 46 H MET 46 -3.383 14.651 0.537 369 HA MET 46 HA MET 46 -5.851 13.282 -0.347 370 HB2 MET 46 HB2 MET 46 -5.696 15.502 -1.325 371 HB3 MET 46 HB3 MET 46 -4.074 15.162 -1.921 372 HG2 MET 46 HG2 MET 46 -4.858 13.548 -3.479 373 HG3 MET 46 HG3 MET 46 -6.439 13.448 -2.722 374 HE1 MET 46 HE1 MET 46 -7.563 15.934 -2.175 375 HE2 MET 46 HE2 MET 46 -8.446 14.968 -3.352 376 HE3 MET 46 HE3 MET 46 -8.199 16.686 -3.647 377 HA PRO 47 HA PRO 47 -2.742 10.050 -1.405 378 HB2 PRO 47 HB2 PRO 47 -4.420 7.968 -1.682 379 HB3 PRO 47 HB3 PRO 47 -3.946 8.567 -0.079 380 HG2 PRO 47 HG2 PRO 47 -6.444 9.102 -1.622 381 HG3 PRO 47 HG3 PRO 47 -6.246 8.707 0.096 382 HD2 PRO 47 HD2 PRO 47 -6.615 11.263 -0.775 383 HD3 PRO 47 HD3 PRO 47 -5.662 10.874 0.678 384 H VAL 48 H VAL 48 -2.144 9.082 -3.384 385 HA VAL 48 HA VAL 48 -3.655 10.041 -5.724 386 HB VAL 48 HB VAL 48 -0.870 8.821 -5.565 387 HG11 VAL 48 HG11 VAL 48 -1.967 8.493 -7.767 388 HG12 VAL 48 HG12 VAL 48 -0.618 9.623 -7.878 389 HG13 VAL 48 HG13 VAL 48 -2.276 10.227 -7.863 390 HG21 VAL 48 HG21 VAL 48 -1.238 11.117 -4.488 391 HG22 VAL 48 HG22 VAL 48 -1.622 11.709 -6.104 392 HG23 VAL 48 HG23 VAL 48 -0.020 11.056 -5.762 393 H ILE 49 H ILE 49 -2.050 7.068 -4.610 394 HA ILE 49 HA ILE 49 -4.243 5.443 -5.614 395 HB ILE 49 HB ILE 49 -2.671 5.672 -7.544 396 HG12 ILE 49 HG12 ILE 49 -2.306 3.167 -7.901 397 HG13 ILE 49 HG13 ILE 49 -2.953 2.913 -6.278 398 HG21 ILE 49 HG21 ILE 49 -0.629 5.820 -5.964 399 HG22 ILE 49 HG22 ILE 49 -0.442 4.969 -7.495 400 HG23 ILE 49 HG23 ILE 49 -0.654 4.055 -5.999 401 HD11 ILE 49 HD11 ILE 49 -4.390 4.332 -8.543 402 HD12 ILE 49 HD12 ILE 49 -5.045 4.039 -6.933 403 HD13 ILE 49 HD13 ILE 49 -4.709 2.683 -8.007 404 H MET 50 H MET 50 -4.427 3.448 -4.509 405 HA MET 50 HA MET 50 -2.433 2.960 -2.384 406 HB2 MET 50 HB2 MET 50 -4.234 2.567 -0.750 407 HB3 MET 50 HB3 MET 50 -4.256 4.221 -1.363 408 HG2 MET 50 HG2 MET 50 -6.048 3.615 -2.950 409 HG3 MET 50 HG3 MET 50 -6.034 1.961 -2.339 410 HE1 MET 50 HE1 MET 50 -8.518 3.496 -2.609 411 HE2 MET 50 HE2 MET 50 -9.377 3.484 -1.072 412 HE3 MET 50 HE3 MET 50 -8.643 2.000 -1.669 413 H TYR 51 H TYR 51 -2.345 0.896 -1.503 414 HA TYR 51 HA TYR 51 -3.349 -1.244 -3.277 415 HB2 TYR 51 HB2 TYR 51 -0.854 -0.910 -3.039 416 HB3 TYR 51 HB3 TYR 51 -1.026 -1.303 -1.339 417 HD1 TYR 51 HD1 TYR 51 -1.460 -2.628 -4.786 418 HD2 TYR 51 HD2 TYR 51 -1.298 -3.564 -0.595 419 HE1 TYR 51 HE1 TYR 51 -1.348 -5.045 -5.330 420 HE2 TYR 51 HE2 TYR 51 -1.189 -5.980 -1.139 421 HH TYR 51 HH TYR 51 -1.674 -7.164 -4.389 422 H ARG 52 H ARG 52 -5.087 -2.251 -2.388 423 HA ARG 52 HA ARG 52 -5.037 -2.781 0.513 424 HB2 ARG 52 HB2 ARG 52 -7.391 -2.176 0.709 425 HB3 ARG 52 HB3 ARG 52 -6.424 -0.824 0.145 426 HG2 ARG 52 HG2 ARG 52 -8.118 -0.645 -1.411 427 HG3 ARG 52 HG3 ARG 52 -7.132 -1.813 -2.281 428 HD2 ARG 52 HD2 ARG 52 -8.555 -3.596 -1.756 429 HD3 ARG 52 HD3 ARG 52 -9.190 -2.814 -0.312 430 HE ARG 52 HE ARG 52 -9.877 -1.390 -2.722 431 HH11 ARG 52 HH11 ARG 52 -10.798 -4.126 -0.719 432 HH12 ARG 52 HH12 ARG 52 -12.454 -4.099 -1.227 433 HH21 ARG 52 HH21 ARG 52 -12.053 -1.372 -3.340 434 HH22 ARG 52 HH22 ARG 52 -13.156 -2.546 -2.707 435 H ASP 53 H ASP 53 -6.014 -4.575 1.237 436 HA ASP 53 HA ASP 53 -6.559 -6.769 1.200 437 HB2 ASP 53 HB2 ASP 53 -8.419 -5.730 -0.939 438 HB3 ASP 53 HB3 ASP 53 -8.584 -7.312 -0.192 439 H GLY 54 H GLY 54 -4.258 -6.233 -0.217 440 HA2 GLY 54 HA2 GLY 54 -2.740 -7.368 -1.530 441 HA3 GLY 54 HA3 GLY 54 -3.965 -8.611 -1.756 442 H ALA 55 H ALA 55 -5.040 -5.464 -2.687 443 HA ALA 55 HA ALA 55 -4.140 -5.745 -5.465 444 HB1 ALA 55 HB1 ALA 55 -6.993 -6.032 -4.574 445 HB2 ALA 55 HB2 ALA 55 -6.077 -7.022 -5.710 446 HB3 ALA 55 HB3 ALA 55 -6.606 -5.406 -6.178 447 H GLU 56 H GLU 56 -4.288 -3.859 -6.709 448 HA GLU 56 HA GLU 56 -4.273 -1.391 -5.240 449 HB2 GLU 56 HB2 GLU 56 -3.857 -0.330 -7.430 450 HB3 GLU 56 HB3 GLU 56 -2.771 -1.691 -7.160 451 HG2 GLU 56 HG2 GLU 56 -4.296 -3.137 -8.518 452 HG3 GLU 56 HG3 GLU 56 -5.312 -1.737 -8.832 453 H VAL 57 H VAL 57 -5.673 0.420 -5.544 454 HA VAL 57 HA VAL 57 -8.442 -0.327 -5.688 455 HB VAL 57 HB VAL 57 -7.616 1.410 -4.127 456 HG11 VAL 57 HG11 VAL 57 -7.310 3.205 -6.542 457 HG12 VAL 57 HG12 VAL 57 -5.952 2.372 -5.788 458 HG13 VAL 57 HG13 VAL 57 -6.878 3.559 -4.870 459 HG21 VAL 57 HG21 VAL 57 -10.006 1.381 -4.941 460 HG22 VAL 57 HG22 VAL 57 -9.555 2.585 -6.148 461 HG23 VAL 57 HG23 VAL 57 -9.447 2.974 -4.431 462 H THR 58 H THR 58 -9.657 -0.508 -7.447 463 HA THR 58 HA THR 58 -9.041 1.155 -9.815 464 HB THR 58 HB THR 58 -9.934 -1.752 -9.858 465 HG1 THR 58 HG1 THR 58 -7.799 -1.701 -9.359 466 HG21 THR 58 HG21 THR 58 -9.265 0.223 -12.057 467 HG22 THR 58 HG22 THR 58 -10.820 -0.557 -11.775 468 HG23 THR 58 HG23 THR 58 -9.438 -1.513 -12.316 469 H GLY 59 H GLY 59 -10.722 2.284 -10.590 470 HA2 GLY 59 HA2 GLY 59 -13.465 1.515 -9.768 471 HA3 GLY 59 HA3 GLY 59 -12.918 3.188 -9.732 472 H LEU 60 H LEU 60 -15.006 1.577 -11.326 473 HA LEU 60 HA LEU 60 -15.974 1.650 -13.386 474 HB2 LEU 60 HB2 LEU 60 -14.260 4.115 -13.373 475 HB3 LEU 60 HB3 LEU 60 -14.990 3.618 -14.895 476 HG LEU 60 HG LEU 60 -17.233 3.584 -13.743 477 HD11 LEU 60 HD11 LEU 60 -17.444 4.732 -11.560 478 HD12 LEU 60 HD12 LEU 60 -15.689 4.891 -11.476 479 HD13 LEU 60 HD13 LEU 60 -16.432 3.293 -11.426 480 HD21 LEU 60 HD21 LEU 60 -17.519 6.000 -13.773 481 HD22 LEU 60 HD22 LEU 60 -16.377 5.556 -15.043 482 HD23 LEU 60 HD23 LEU 60 -15.790 6.246 -13.531 483 HA PRO 61 HA PRO 61 -13.580 -0.849 -16.183 484 HB2 PRO 61 HB2 PRO 61 -14.746 0.667 -18.471 485 HB3 PRO 61 HB3 PRO 61 -14.766 -1.078 -18.140 486 HG2 PRO 61 HG2 PRO 61 -16.951 0.342 -17.813 487 HG3 PRO 61 HG3 PRO 61 -16.515 -0.910 -16.632 488 HD2 PRO 61 HD2 PRO 61 -16.208 2.069 -16.403 489 HD3 PRO 61 HD3 PRO 61 -16.749 0.894 -15.178 490 H MET 62 H MET 62 -11.648 -0.784 -17.377 491 HA MET 62 HA MET 62 -9.687 0.043 -18.218 492 HB2 MET 62 HB2 MET 62 -11.296 2.559 -18.808 493 HB3 MET 62 HB3 MET 62 -9.705 2.176 -19.456 494 HG2 MET 62 HG2 MET 62 -10.618 0.161 -20.541 495 HG3 MET 62 HG3 MET 62 -12.211 0.534 -19.879 496 HE1 MET 62 HE1 MET 62 -9.396 2.940 -21.566 497 HE2 MET 62 HE2 MET 62 -9.893 2.592 -23.219 498 HE3 MET 62 HE3 MET 62 -9.409 1.271 -22.160 499 H GLU 63 H GLU 63 -8.890 -0.097 -16.063 500 HA GLU 63 HA GLU 63 -9.015 1.776 -14.047 501 HB2 GLU 63 HB2 GLU 63 -6.791 0.882 -13.279 502 HB3 GLU 63 HB3 GLU 63 -7.987 -0.364 -13.620 503 HG2 GLU 63 HG2 GLU 63 -6.921 -0.483 -15.978 504 HG3 GLU 63 HG3 GLU 63 -5.582 0.423 -15.281 505 H GLY 64 H GLY 64 -8.977 3.895 -14.717 506 HA2 GLY 64 HA2 GLY 64 -7.003 5.085 -16.362 507 HA3 GLY 64 HA3 GLY 64 -8.069 5.943 -15.253 508 H TYR 65 H TYR 65 -7.304 4.758 -12.837 509 HA TYR 65 HA TYR 65 -4.773 6.118 -12.363 510 HB2 TYR 65 HB2 TYR 65 -6.727 4.793 -10.473 511 HB3 TYR 65 HB3 TYR 65 -5.271 5.649 -9.967 512 HD1 TYR 65 HD1 TYR 65 -8.667 5.985 -11.301 513 HD2 TYR 65 HD2 TYR 65 -5.054 8.089 -10.309 514 HE1 TYR 65 HE1 TYR 65 -9.890 8.137 -11.419 515 HE2 TYR 65 HE2 TYR 65 -6.280 10.244 -10.427 516 HH TYR 65 HH TYR 65 -9.296 10.565 -11.843 517 H GLY 66 H GLY 66 -6.100 2.847 -12.198 518 HA2 GLY 66 HA2 GLY 66 -3.915 1.550 -10.988 519 HA3 GLY 66 HA3 GLY 66 -5.109 0.776 -12.025 520 H GLY 67 H GLY 67 -4.643 2.257 -14.381 521 HA2 GLY 67 HA2 GLY 67 -2.563 0.789 -15.576 522 HA3 GLY 67 HA3 GLY 67 -3.362 2.187 -16.288 523 H ARG 68 H ARG 68 -2.688 4.110 -14.327 524 HA ARG 68 HA ARG 68 -0.162 4.964 -15.258 525 HB2 ARG 68 HB2 ARG 68 -1.773 5.878 -12.869 526 HB3 ARG 68 HB3 ARG 68 -0.349 6.706 -13.484 527 HG2 ARG 68 HG2 ARG 68 -2.763 6.127 -15.221 528 HG3 ARG 68 HG3 ARG 68 -2.587 7.624 -14.309 529 HD2 ARG 68 HD2 ARG 68 -0.426 8.048 -15.480 530 HD3 ARG 68 HD3 ARG 68 -0.681 6.592 -16.437 531 HE ARG 68 HE ARG 68 -2.309 7.728 -17.679 532 HH11 ARG 68 HH11 ARG 68 -1.389 9.668 -14.896 533 HH12 ARG 68 HH12 ARG 68 -2.219 11.082 -15.456 534 HH21 ARG 68 HH21 ARG 68 -3.378 9.600 -18.372 535 HH22 ARG 68 HH22 ARG 68 -3.336 11.041 -17.412 536 H ALA 69 H ALA 69 -1.152 3.397 -12.204 537 HA ALA 69 HA ALA 69 1.714 3.013 -11.586 538 HB1 ALA 69 HB1 ALA 69 -0.224 2.877 -9.352 539 HB2 ALA 69 HB2 ALA 69 0.017 4.470 -10.070 540 HB3 ALA 69 HB3 ALA 69 1.394 3.579 -9.424 541 H GLU 70 H GLU 70 2.345 0.990 -11.749 542 HA GLU 70 HA GLU 70 0.412 -1.192 -11.254 543 HB2 GLU 70 HB2 GLU 70 1.290 -1.092 -13.585 544 HB3 GLU 70 HB3 GLU 70 2.928 -1.255 -12.953 545 HG2 GLU 70 HG2 GLU 70 2.353 -3.445 -11.974 546 HG3 GLU 70 HG3 GLU 70 0.698 -3.282 -12.547 547 H TRP 71 H TRP 71 0.791 -2.456 -9.546 548 HA TRP 71 HA TRP 71 2.961 -1.916 -7.784 549 HB2 TRP 71 HB2 TRP 71 2.051 -3.773 -6.416 550 HB3 TRP 71 HB3 TRP 71 0.805 -2.619 -6.887 551 HD1 TRP 71 HD1 TRP 71 -1.030 -3.421 -8.624 552 HE1 TRP 71 HE1 TRP 71 -1.742 -5.759 -9.449 553 HE3 TRP 71 HE3 TRP 71 2.941 -6.183 -6.983 554 HZ2 TRP 71 HZ2 TRP 71 -0.759 -8.444 -9.414 555 HZ3 TRP 71 HZ3 TRP 71 3.026 -8.628 -7.392 556 HH2 TRP 71 HH2 TRP 71 1.181 -9.760 -8.605 557 H MET 72 H MET 72 4.893 -2.787 -7.597 558 HA MET 72 HA MET 72 5.466 -5.351 -8.940 559 HB2 MET 72 HB2 MET 72 6.327 -3.467 -10.318 560 HB3 MET 72 HB3 MET 72 7.284 -2.913 -8.949 561 HG2 MET 72 HG2 MET 72 8.700 -4.249 -10.427 562 HG3 MET 72 HG3 MET 72 8.448 -5.136 -8.925 563 HE1 MET 72 HE1 MET 72 6.099 -4.688 -12.252 564 HE2 MET 72 HE2 MET 72 6.939 -5.965 -13.125 565 HE3 MET 72 HE3 MET 72 7.851 -4.598 -12.492 566 H GLU 73 H GLU 73 5.596 -6.622 -7.177 567 HA GLU 73 HA GLU 73 6.687 -5.810 -4.667 568 HB2 GLU 73 HB2 GLU 73 4.972 -7.621 -4.970 569 HB3 GLU 73 HB3 GLU 73 6.242 -8.639 -5.646 570 HG2 GLU 73 HG2 GLU 73 7.528 -8.473 -3.566 571 HG3 GLU 73 HG3 GLU 73 6.319 -7.391 -2.878 572 H ASP 74 H ASP 74 8.677 -5.951 -3.857 573 HA ASP 74 HA ASP 74 10.922 -6.345 -5.551 574 HB2 ASP 74 HB2 ASP 74 10.711 -6.124 -2.545 575 HB3 ASP 74 HB3 ASP 74 12.234 -6.139 -3.437 576 H SER 75 H SER 75 12.493 -7.955 -5.534 577 HA SER 75 HA SER 75 11.531 -10.629 -5.170 578 HB2 SER 75 HB2 SER 75 14.267 -9.562 -5.882 579 HB3 SER 75 HB3 SER 75 13.845 -11.269 -5.864 580 HG SER 75 HG SER 75 13.364 -9.403 -7.741 581 H THR 76 H THR 76 12.982 -8.422 -3.007 582 HA THR 76 HA THR 76 14.621 -10.075 -1.431 583 HB THR 76 HB THR 76 12.989 -7.652 -0.578 584 HG1 THR 76 HG1 THR 76 14.389 -7.190 -2.279 585 HG21 THR 76 HG21 THR 76 15.560 -8.699 0.628 586 HG22 THR 76 HG22 THR 76 13.973 -9.139 1.255 587 HG23 THR 76 HG23 THR 76 14.489 -7.455 1.271 588 H GLU 77 H GLU 77 11.125 -9.483 -1.355 589 HA GLU 77 HA GLU 77 9.389 -10.550 -0.308 590 HB2 GLU 77 HB2 GLU 77 11.395 -12.820 -0.120 591 HB3 GLU 77 HB3 GLU 77 9.659 -12.973 0.152 592 HG2 GLU 77 HG2 GLU 77 9.234 -12.194 -2.156 593 HG3 GLU 77 HG3 GLU 77 10.971 -12.064 -2.429 594 H GLU 78 H GLU 78 10.966 -8.835 1.288 595 HA GLU 78 HA GLU 78 10.847 -10.135 3.946 596 HB2 GLU 78 HB2 GLU 78 12.602 -7.936 2.861 597 HB3 GLU 78 HB3 GLU 78 12.310 -8.069 4.593 598 HG2 GLU 78 HG2 GLU 78 13.377 -10.323 2.857 599 HG3 GLU 78 HG3 GLU 78 14.380 -9.281 3.866 600 H GLY 79 H GLY 79 8.563 -9.027 2.489 601 HA2 GLY 79 HA2 GLY 79 6.609 -7.973 3.212 602 HA3 GLY 79 HA3 GLY 79 7.489 -7.337 4.594 603 H SER 80 H SER 80 9.097 -6.762 1.633 604 HA SER 80 HA SER 80 8.637 -3.897 1.798 605 HB2 SER 80 HB2 SER 80 10.198 -5.530 -0.226 606 HB3 SER 80 HB3 SER 80 10.259 -3.784 -0.016 607 HG SER 80 HG SER 80 10.901 -5.721 1.962 608 H VAL 81 H VAL 81 7.832 -2.626 0.222 609 HA VAL 81 HA VAL 81 6.159 -3.916 -1.813 610 HB VAL 81 HB VAL 81 4.792 -3.449 0.194 611 HG11 VAL 81 HG11 VAL 81 4.360 -1.106 0.862 612 HG12 VAL 81 HG12 VAL 81 5.586 -0.560 -0.283 613 HG13 VAL 81 HG13 VAL 81 6.051 -1.550 1.100 614 HG21 VAL 81 HG21 VAL 81 4.215 -1.584 -2.107 615 HG22 VAL 81 HG22 VAL 81 3.039 -2.201 -0.938 616 HG23 VAL 81 HG23 VAL 81 3.831 -3.306 -2.068 617 H ALA 82 H ALA 82 6.176 -2.930 -3.742 618 HA ALA 82 HA ALA 82 7.226 -0.188 -3.953 619 HB1 ALA 82 HB1 ALA 82 8.150 -1.952 -6.115 620 HB2 ALA 82 HB2 ALA 82 8.792 -2.378 -4.532 621 HB3 ALA 82 HB3 ALA 82 9.031 -0.754 -5.167 622 H LEU 83 H LEU 83 6.313 1.030 -5.479 623 HA LEU 83 HA LEU 83 4.289 -0.173 -7.248 624 HB2 LEU 83 HB2 LEU 83 3.201 1.081 -5.439 625 HB3 LEU 83 HB3 LEU 83 4.196 2.490 -5.780 626 HG LEU 83 HG LEU 83 3.180 2.584 -8.079 627 HD11 LEU 83 HD11 LEU 83 2.448 0.323 -8.427 628 HD12 LEU 83 HD12 LEU 83 0.988 1.306 -8.348 629 HD13 LEU 83 HD13 LEU 83 1.476 0.339 -6.956 630 HD21 LEU 83 HD21 LEU 83 1.017 2.628 -5.958 631 HD22 LEU 83 HD22 LEU 83 1.206 3.689 -7.351 632 HD23 LEU 83 HD23 LEU 83 2.311 3.827 -5.992 633 H LYS 84 H LYS 84 4.761 0.082 -9.324 634 HA LYS 84 HA LYS 84 6.798 2.006 -10.150 635 HB2 LYS 84 HB2 LYS 84 6.870 -0.366 -10.933 636 HB3 LYS 84 HB3 LYS 84 5.354 -0.099 -11.788 637 HG2 LYS 84 HG2 LYS 84 6.435 1.722 -13.102 638 HG3 LYS 84 HG3 LYS 84 7.955 1.405 -12.267 639 HD2 LYS 84 HD2 LYS 84 6.482 -0.731 -13.832 640 HD3 LYS 84 HD3 LYS 84 7.706 0.306 -14.561 641 HE2 LYS 84 HE2 LYS 84 9.341 -0.460 -12.841 642 HE3 LYS 84 HE3 LYS 84 8.119 -1.556 -12.199 643 HZ1 LYS 84 HZ1 LYS 84 9.325 -2.871 -13.657 644 HZ2 LYS 84 HZ2 LYS 84 9.485 -1.635 -14.814 645 HZ3 LYS 84 HZ3 LYS 84 7.989 -2.410 -14.594 646 H ILE 85 H ILE 85 6.267 3.965 -10.876 647 HA ILE 85 HA ILE 85 3.529 4.428 -11.890 648 HB ILE 85 HB ILE 85 4.151 5.735 -9.877 649 HG12 ILE 85 HG12 ILE 85 3.751 8.062 -10.896 650 HG13 ILE 85 HG13 ILE 85 3.796 7.272 -12.472 651 HG21 ILE 85 HG21 ILE 85 6.570 5.858 -10.250 652 HG22 ILE 85 HG22 ILE 85 5.893 7.471 -10.024 653 HG23 ILE 85 HG23 ILE 85 6.313 6.910 -11.642 654 HD11 ILE 85 HD11 ILE 85 1.926 5.827 -11.842 655 HD12 ILE 85 HD12 ILE 85 1.472 7.512 -11.588 656 HD13 ILE 85 HD13 ILE 85 1.921 6.502 -10.212 657 H ARG 86 H ARG 86 3.210 5.132 -13.933 658 HA ARG 86 HA ARG 86 5.511 5.093 -15.710 659 HB2 ARG 86 HB2 ARG 86 2.534 4.973 -16.074 660 HB3 ARG 86 HB3 ARG 86 3.549 5.416 -17.444 661 HG2 ARG 86 HG2 ARG 86 3.335 3.050 -17.596 662 HG3 ARG 86 HG3 ARG 86 4.931 3.307 -16.892 663 HD2 ARG 86 HD2 ARG 86 4.054 2.893 -14.654 664 HD3 ARG 86 HD3 ARG 86 2.417 2.755 -15.290 665 HE ARG 86 HE ARG 86 4.516 0.743 -15.419 666 HH11 ARG 86 HH11 ARG 86 1.459 1.814 -16.783 667 HH12 ARG 86 HH12 ARG 86 1.046 0.248 -17.395 668 HH21 ARG 86 HH21 ARG 86 3.929 -1.285 -16.224 669 HH22 ARG 86 HH22 ARG 86 2.438 -1.494 -17.079 670 H GLN 87 H GLN 87 6.244 6.654 -17.006 671 HA GLN 87 HA GLN 87 6.801 8.735 -17.726 672 HB2 GLN 87 HB2 GLN 87 3.824 9.280 -17.486 673 HB3 GLN 87 HB3 GLN 87 4.971 10.157 -18.495 674 HG2 GLN 87 HG2 GLN 87 4.147 7.241 -18.798 675 HG3 GLN 87 HG3 GLN 87 3.758 8.560 -19.894 676 HE21 GLN 87 HE21 GLN 87 5.791 5.956 -19.600 677 HE22 GLN 87 HE22 GLN 87 7.102 6.492 -20.530 678 H VAL 88 H VAL 88 7.688 8.709 -15.315 679 HA VAL 88 HA VAL 88 6.566 10.474 -13.413 680 HB VAL 88 HB VAL 88 8.391 8.733 -13.023 681 HG11 VAL 88 HG11 VAL 88 10.585 9.044 -13.640 682 HG12 VAL 88 HG12 VAL 88 10.498 10.801 -13.549 683 HG13 VAL 88 HG13 VAL 88 9.847 9.962 -14.947 684 HG21 VAL 88 HG21 VAL 88 8.745 11.551 -11.950 685 HG22 VAL 88 HG22 VAL 88 9.469 10.113 -11.228 686 HG23 VAL 88 HG23 VAL 88 7.715 10.290 -11.272 687 H GLN 89 H GLN 89 7.226 12.614 -12.808 688 HA GLN 89 HA GLN 89 8.793 14.173 -14.656 689 HB2 GLN 89 HB2 GLN 89 6.677 15.930 -14.659 690 HB3 GLN 89 HB3 GLN 89 7.055 14.838 -15.979 691 HG2 GLN 89 HG2 GLN 89 4.750 14.518 -15.602 692 HG3 GLN 89 HG3 GLN 89 5.463 13.164 -14.744 693 HE21 GLN 89 HE21 GLN 89 5.856 13.607 -12.332 694 HE22 GLN 89 HE22 GLN 89 4.704 14.555 -11.517 695 HA PRO 90 HA PRO 90 10.168 16.825 -11.452 696 HB2 PRO 90 HB2 PRO 90 8.614 19.135 -12.555 697 HB3 PRO 90 HB3 PRO 90 10.314 19.058 -12.043 698 HG2 PRO 90 HG2 PRO 90 9.767 19.014 -14.590 699 HG3 PRO 90 HG3 PRO 90 10.966 17.875 -13.943 700 HD2 PRO 90 HD2 PRO 90 8.137 17.357 -14.768 701 HD3 PRO 90 HD3 PRO 90 9.576 16.331 -14.989 702 H SER 91 H SER 91 6.705 17.294 -12.145 703 HA SER 91 HA SER 91 5.936 18.350 -9.638 704 HB2 SER 91 HB2 SER 91 4.373 16.684 -11.617 705 HB3 SER 91 HB3 SER 91 3.666 17.482 -10.219 706 HG SER 91 HG SER 91 3.968 18.534 -12.533 707 H ASP 92 H ASP 92 6.475 15.063 -10.759 708 HA ASP 92 HA ASP 92 5.411 13.668 -8.516 709 HB2 ASP 92 HB2 ASP 92 5.925 12.600 -10.710 710 HB3 ASP 92 HB3 ASP 92 7.644 12.793 -10.362 711 H ASP 93 H ASP 93 8.533 15.110 -9.269 712 HA ASP 93 HA ASP 93 10.208 14.018 -7.367 713 HB2 ASP 93 HB2 ASP 93 10.788 15.757 -9.114 714 HB3 ASP 93 HB3 ASP 93 10.137 16.962 -8.019 715 H GLY 94 H GLY 94 10.294 13.965 -5.227 716 HA2 GLY 94 HA2 GLY 94 10.050 15.810 -3.318 717 HA3 GLY 94 HA3 GLY 94 8.352 15.465 -3.656 718 H GLN 95 H GLN 95 8.119 14.667 -1.519 719 HA GLN 95 HA GLN 95 9.326 12.005 -1.063 720 HB2 GLN 95 HB2 GLN 95 8.383 14.066 0.937 721 HB3 GLN 95 HB3 GLN 95 8.865 12.424 1.355 722 HG2 GLN 95 HG2 GLN 95 10.822 13.718 1.698 723 HG3 GLN 95 HG3 GLN 95 11.077 12.940 0.138 724 HE21 GLN 95 HE21 GLN 95 12.268 14.518 -1.000 725 HE22 GLN 95 HE22 GLN 95 11.744 16.116 -1.229 726 H TYR 96 H TYR 96 8.036 10.294 -0.563 727 HA TYR 96 HA TYR 96 5.119 10.758 -0.534 728 HB2 TYR 96 HB2 TYR 96 6.689 8.507 -1.765 729 HB3 TYR 96 HB3 TYR 96 4.999 8.311 -1.319 730 HD1 TYR 96 HD1 TYR 96 7.287 10.492 -3.323 731 HD2 TYR 96 HD2 TYR 96 3.300 9.002 -2.791 732 HE1 TYR 96 HE1 TYR 96 6.623 11.490 -5.492 733 HE2 TYR 96 HE2 TYR 96 2.631 10.012 -4.952 734 HH TYR 96 HH TYR 96 3.756 10.693 -7.073 735 H TRP 97 H TRP 97 3.985 10.025 1.134 736 HA TRP 97 HA TRP 97 5.448 8.705 3.283 737 HB2 TRP 97 HB2 TRP 97 2.716 9.990 3.167 738 HB3 TRP 97 HB3 TRP 97 3.335 9.149 4.588 739 HD1 TRP 97 HD1 TRP 97 5.292 10.280 5.948 740 HE1 TRP 97 HE1 TRP 97 6.253 12.672 5.955 741 HE3 TRP 97 HE3 TRP 97 3.211 12.077 1.648 742 HZ2 TRP 97 HZ2 TRP 97 6.151 15.033 4.352 743 HZ3 TRP 97 HZ3 TRP 97 3.658 14.399 0.912 744 HH2 TRP 97 HH2 TRP 97 5.125 15.881 2.259 745 H CYS 98 H CYS 98 5.369 6.616 3.593 746 HA CYS 98 HA CYS 98 3.320 4.976 2.281 747 HB2 CYS 98 HB2 CYS 98 5.684 4.322 1.977 748 HB3 CYS 98 HB3 CYS 98 5.881 4.228 3.723 749 H ARG 99 H ARG 99 1.522 4.733 3.490 750 HA ARG 99 HA ARG 99 1.806 4.520 6.420 751 HB2 ARG 99 HB2 ARG 99 0.560 6.491 5.526 752 HB3 ARG 99 HB3 ARG 99 -0.605 5.387 4.807 753 HG2 ARG 99 HG2 ARG 99 -1.305 4.580 6.950 754 HG3 ARG 99 HG3 ARG 99 0.043 5.377 7.765 755 HD2 ARG 99 HD2 ARG 99 -1.927 6.739 8.118 756 HD3 ARG 99 HD3 ARG 99 -0.882 7.582 6.988 757 HE ARG 99 HE ARG 99 -2.716 6.012 5.520 758 HH11 ARG 99 HH11 ARG 99 -2.698 8.846 7.600 759 HH12 ARG 99 HH12 ARG 99 -4.086 9.560 6.852 760 HH21 ARG 99 HH21 ARG 99 -4.531 6.994 4.564 761 HH22 ARG 99 HH22 ARG 99 -5.108 8.520 5.144 762 H PHE 100 H PHE 100 1.506 2.584 7.239 763 HA PHE 100 HA PHE 100 0.005 0.535 5.761 764 HB2 PHE 100 HB2 PHE 100 2.265 -0.040 6.639 765 HB3 PHE 100 HB3 PHE 100 1.713 0.317 8.273 766 HD1 PHE 100 HD1 PHE 100 1.159 -1.924 5.337 767 HD2 PHE 100 HD2 PHE 100 0.478 -1.293 9.532 768 HE1 PHE 100 HE1 PHE 100 0.292 -4.240 5.547 769 HE2 PHE 100 HE2 PHE 100 -0.388 -3.608 9.741 770 HZ PHE 100 HZ PHE 100 -0.479 -5.080 7.749 771 H GLN 101 H GLN 101 -2.107 0.343 6.203 772 HA GLN 101 HA GLN 101 -3.075 1.173 8.873 773 HB2 GLN 101 HB2 GLN 101 -3.865 2.541 6.941 774 HB3 GLN 101 HB3 GLN 101 -4.627 1.099 6.279 775 HG2 GLN 101 HG2 GLN 101 -6.024 0.890 8.300 776 HG3 GLN 101 HG3 GLN 101 -5.249 2.315 8.989 777 HE21 GLN 101 HE21 GLN 101 -8.150 1.767 8.035 778 HE22 GLN 101 HE22 GLN 101 -8.483 3.077 7.007 779 H GLU 102 H GLU 102 -3.858 -0.296 10.148 780 HA GLU 102 HA GLU 102 -5.407 -2.539 9.157 781 HB2 GLU 102 HB2 GLU 102 -3.055 -3.394 9.189 782 HB3 GLU 102 HB3 GLU 102 -2.975 -3.019 10.911 783 HG2 GLU 102 HG2 GLU 102 -4.841 -4.560 11.361 784 HG3 GLU 102 HG3 GLU 102 -4.999 -4.899 9.642 785 H GLY 103 H GLY 103 -7.119 -2.795 10.464 786 HA2 GLY 103 HA2 GLY 103 -8.553 -2.549 12.248 787 HA3 GLY 103 HA3 GLY 103 -7.130 -2.678 13.280 788 H ASP 104 H ASP 104 -7.260 -1.035 14.700 789 HA ASP 104 HA ASP 104 -8.000 1.654 13.734 790 HB2 ASP 104 HB2 ASP 104 -8.386 2.211 16.088 791 HB3 ASP 104 HB3 ASP 104 -9.330 0.805 15.600 792 H TYR 105 H TYR 105 -5.217 0.106 13.820 793 HA TYR 105 HA TYR 105 -3.693 2.428 14.842 794 HB2 TYR 105 HB2 TYR 105 -3.533 0.500 16.410 795 HB3 TYR 105 HB3 TYR 105 -2.881 -0.484 15.102 796 HD1 TYR 105 HD1 TYR 105 -2.254 2.520 17.212 797 HD2 TYR 105 HD2 TYR 105 -0.586 -0.292 14.426 798 HE1 TYR 105 HE1 TYR 105 0.017 3.399 17.686 799 HE2 TYR 105 HE2 TYR 105 1.684 0.586 14.899 800 HH TYR 105 HH TYR 105 2.388 3.329 16.060 801 H TRP 106 H TRP 106 -2.174 3.241 13.498 802 HA TRP 106 HA TRP 106 -1.130 1.633 11.294 803 HB2 TRP 106 HB2 TRP 106 -1.724 3.305 9.575 804 HB3 TRP 106 HB3 TRP 106 -3.172 2.653 10.347 805 HD1 TRP 106 HD1 TRP 106 -1.163 5.805 9.886 806 HE1 TRP 106 HE1 TRP 106 -2.439 7.802 10.922 807 HE3 TRP 106 HE3 TRP 106 -4.895 3.308 12.315 808 HZ2 TRP 106 HZ2 TRP 106 -4.734 8.269 12.563 809 HZ3 TRP 106 HZ3 TRP 106 -6.611 4.550 13.607 810 HH2 TRP 106 HH2 TRP 106 -6.532 7.026 13.732 811 H ARG 107 H ARG 107 0.661 2.706 10.153 812 HA ARG 107 HA ARG 107 1.986 4.864 11.663 813 HB2 ARG 107 HB2 ARG 107 2.835 2.621 12.448 814 HB3 ARG 107 HB3 ARG 107 3.392 2.316 10.806 815 HG2 ARG 107 HG2 ARG 107 5.292 3.158 12.004 816 HG3 ARG 107 HG3 ARG 107 4.732 4.486 10.991 817 HD2 ARG 107 HD2 ARG 107 3.514 5.448 12.925 818 HD3 ARG 107 HD3 ARG 107 4.060 4.110 13.929 819 HE ARG 107 HE ARG 107 6.193 5.085 14.014 820 HH11 ARG 107 HH11 ARG 107 4.176 6.839 11.741 821 HH12 ARG 107 HH12 ARG 107 5.292 8.152 11.576 822 HH21 ARG 107 HH21 ARG 107 7.629 6.812 13.760 823 HH22 ARG 107 HH22 ARG 107 7.233 8.135 12.714 824 H GLU 108 H GLU 108 3.203 6.261 10.374 825 HA GLU 108 HA GLU 108 3.477 5.564 7.526 826 HB2 GLU 108 HB2 GLU 108 2.723 7.814 6.863 827 HB3 GLU 108 HB3 GLU 108 1.457 6.931 7.709 828 HG2 GLU 108 HG2 GLU 108 3.253 8.669 9.382 829 HG3 GLU 108 HG3 GLU 108 2.091 9.470 8.337 830 H THR 109 H THR 109 5.153 6.519 6.389 831 HA THR 109 HA THR 109 6.963 8.387 7.691 832 HB THR 109 HB THR 109 7.738 6.202 8.559 833 HG1 THR 109 HG1 THR 109 9.705 6.850 8.307 834 HG21 THR 109 HG21 THR 109 6.908 4.845 6.621 835 HG22 THR 109 HG22 THR 109 8.571 4.478 7.072 836 HG23 THR 109 HG23 THR 109 8.245 5.479 5.660 837 H SER 110 H SER 110 8.378 9.442 6.202 838 HA SER 110 HA SER 110 7.405 9.425 3.476 839 HB2 SER 110 HB2 SER 110 8.768 11.379 3.156 840 HB3 SER 110 HB3 SER 110 7.927 11.519 4.698 841 HG SER 110 HG SER 110 9.797 11.488 5.665 842 H VAL 111 H VAL 111 8.735 9.326 1.610 843 HA VAL 111 HA VAL 111 11.203 7.716 1.846 844 HB VAL 111 HB VAL 111 9.009 7.393 -0.245 845 HG11 VAL 111 HG11 VAL 111 10.365 5.477 -1.042 846 HG12 VAL 111 HG12 VAL 111 11.618 5.882 0.132 847 HG13 VAL 111 HG13 VAL 111 11.252 6.995 -1.185 848 HG21 VAL 111 HG21 VAL 111 8.436 6.430 1.977 849 HG22 VAL 111 HG22 VAL 111 9.940 5.508 1.951 850 HG23 VAL 111 HG23 VAL 111 8.678 5.170 0.767 851 H LEU 112 H LEU 112 12.930 8.429 0.569 852 HA LEU 112 HA LEU 112 12.561 11.062 -0.633 853 HB2 LEU 112 HB2 LEU 112 14.914 9.385 0.174 854 HB3 LEU 112 HB3 LEU 112 15.162 10.644 -1.033 855 HG LEU 112 HG LEU 112 13.974 12.231 0.614 856 HD11 LEU 112 HD11 LEU 112 12.994 10.556 2.085 857 HD12 LEU 112 HD12 LEU 112 14.154 11.516 3.004 858 HD13 LEU 112 HD13 LEU 112 14.590 9.899 2.450 859 HD21 LEU 112 HD21 LEU 112 16.391 12.325 0.222 860 HD22 LEU 112 HD22 LEU 112 16.649 10.987 1.343 861 HD23 LEU 112 HD23 LEU 112 16.070 12.542 1.942 862 H LEU 113 H LEU 113 12.057 11.368 -2.676 863 HA LEU 113 HA LEU 113 13.298 9.662 -4.713 864 HB2 LEU 113 HB2 LEU 113 11.045 9.946 -6.039 865 HB3 LEU 113 HB3 LEU 113 11.298 8.587 -4.964 866 HG LEU 113 HG LEU 113 10.187 10.603 -3.265 867 HD11 LEU 113 HD11 LEU 113 9.689 11.745 -5.560 868 HD12 LEU 113 HD12 LEU 113 8.449 11.700 -4.314 869 HD13 LEU 113 HD13 LEU 113 8.386 10.561 -5.659 870 HD21 LEU 113 HD21 LEU 113 8.350 8.637 -4.594 871 HD22 LEU 113 HD22 LEU 113 8.497 9.052 -2.892 872 HD23 LEU 113 HD23 LEU 113 9.691 8.002 -3.644 873 H GLN 114 H GLN 114 14.302 10.795 -6.174 874 HA GLN 114 HA GLN 114 13.323 13.517 -6.817 875 HB2 GLN 114 HB2 GLN 114 16.234 12.634 -6.722 876 HB3 GLN 114 HB3 GLN 114 15.648 14.244 -7.132 877 HG2 GLN 114 HG2 GLN 114 15.347 12.863 -4.436 878 HG3 GLN 114 HG3 GLN 114 16.420 14.210 -4.795 879 HE21 GLN 114 HE21 GLN 114 13.438 13.473 -3.472 880 HE22 GLN 114 HE22 GLN 114 12.660 14.964 -3.676 881 H VAL 115 H VAL 115 13.286 14.029 -9.012 882 HA VAL 115 HA VAL 115 13.834 11.742 -10.818 883 HB VAL 115 HB VAL 115 12.179 12.726 -12.347 884 HG11 VAL 115 HG11 VAL 115 11.266 11.126 -10.866 885 HG12 VAL 115 HG12 VAL 115 10.167 12.502 -10.751 886 HG13 VAL 115 HG13 VAL 115 11.360 12.219 -9.485 887 HG21 VAL 115 HG21 VAL 115 12.127 15.041 -12.078 888 HG22 VAL 115 HG22 VAL 115 12.246 14.966 -10.327 889 HG23 VAL 115 HG23 VAL 115 10.710 14.625 -11.121 890 H ALA 116 H ALA 116 15.212 11.898 -12.454 891 HA ALA 116 HA ALA 116 16.994 14.121 -12.632 892 HB1 ALA 116 HB1 ALA 116 18.015 12.141 -13.282 893 HB2 ALA 116 HB2 ALA 116 17.626 12.849 -14.849 894 HB3 ALA 116 HB3 ALA 116 16.601 11.581 -14.174 895 H ALA 117 H ALA 117 17.035 15.820 -14.036 896 HA ALA 117 HA ALA 117 14.838 16.025 -16.008 897 HB1 ALA 117 HB1 ALA 117 14.411 18.259 -15.403 898 HB2 ALA 117 HB2 ALA 117 15.917 18.397 -14.495 899 HB3 ALA 117 HB3 ALA 117 14.590 17.421 -13.862 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 4.834 0.649 17.629 2 H2 MET 1 HT2 MET 1 4.151 1.211 19.080 3 H3 MET 1 HT3 MET 1 3.260 1.278 17.635 4 HA MET 1 HA MET 1 4.238 -1.320 18.575 5 HB2 MET 1 HB2 MET 1 2.852 0.273 20.333 6 HB3 MET 1 HB3 MET 1 1.513 -0.481 19.479 7 HG2 MET 1 HG2 MET 1 2.027 -1.868 21.393 8 HG3 MET 1 HG3 MET 1 2.591 -2.735 19.970 9 HE1 MET 1 HE1 MET 1 3.226 -0.863 23.072 10 HE2 MET 1 HE2 MET 1 4.113 0.326 22.121 11 HE3 MET 1 HE3 MET 1 4.979 -0.695 23.265 12 H ASP 2 H ASP 2 2.065 -2.783 18.167 13 HA ASP 2 HA ASP 2 0.729 -3.751 16.613 14 HB2 ASP 2 HB2 ASP 2 0.233 -0.841 15.899 15 HB3 ASP 2 HB3 ASP 2 -0.613 -2.170 15.118 16 H PHE 3 H PHE 3 1.543 -1.166 14.302 17 HA PHE 3 HA PHE 3 3.419 -2.974 12.925 18 HB2 PHE 3 HB2 PHE 3 1.126 -1.483 11.620 19 HB3 PHE 3 HB3 PHE 3 2.397 -2.344 10.753 20 HD1 PHE 3 HD1 PHE 3 -0.589 -2.689 12.871 21 HD2 PHE 3 HD2 PHE 3 2.533 -4.795 10.806 22 HE1 PHE 3 HE1 PHE 3 -1.845 -4.809 13.133 23 HE2 PHE 3 HE2 PHE 3 1.276 -6.915 11.068 24 HZ PHE 3 HZ PHE 3 -0.913 -6.923 12.233 25 H ARG 4 H ARG 4 4.982 -1.899 11.616 26 HA ARG 4 HA ARG 4 5.050 1.028 11.882 27 HB2 ARG 4 HB2 ARG 4 6.474 -0.126 13.682 28 HB3 ARG 4 HB3 ARG 4 7.544 -0.592 12.357 29 HG2 ARG 4 HG2 ARG 4 7.506 1.934 11.700 30 HG3 ARG 4 HG3 ARG 4 6.854 2.198 13.315 31 HD2 ARG 4 HD2 ARG 4 8.844 0.910 14.197 32 HD3 ARG 4 HD3 ARG 4 9.482 0.966 12.553 33 HE ARG 4 HE ARG 4 9.354 3.182 14.433 34 HH11 ARG 4 HH11 ARG 4 9.613 2.288 11.045 35 HH12 ARG 4 HH12 ARG 4 10.360 3.781 10.583 36 HH21 ARG 4 HH21 ARG 4 10.359 5.105 13.793 37 HH22 ARG 4 HH22 ARG 4 10.780 5.365 12.133 38 H VAL 5 H VAL 5 5.954 2.102 10.285 39 HA VAL 5 HA VAL 5 6.862 0.622 7.916 40 HB VAL 5 HB VAL 5 5.526 3.316 8.195 41 HG11 VAL 5 HG11 VAL 5 6.979 3.375 6.264 42 HG12 VAL 5 HG12 VAL 5 5.330 3.138 5.684 43 HG13 VAL 5 HG13 VAL 5 6.443 1.772 5.748 44 HG21 VAL 5 HG21 VAL 5 3.569 2.274 7.166 45 HG22 VAL 5 HG22 VAL 5 4.038 1.321 8.573 46 HG23 VAL 5 HG23 VAL 5 4.447 0.759 6.952 47 H VAL 6 H VAL 6 8.938 1.065 7.235 48 HA VAL 6 HA VAL 6 10.366 3.271 8.606 49 HB VAL 6 HB VAL 6 11.550 0.769 7.346 50 HG11 VAL 6 HG11 VAL 6 13.663 1.509 8.316 51 HG12 VAL 6 HG12 VAL 6 12.885 2.950 8.967 52 HG13 VAL 6 HG13 VAL 6 13.048 2.747 7.221 53 HG21 VAL 6 HG21 VAL 6 11.483 1.548 10.269 54 HG22 VAL 6 HG22 VAL 6 11.912 -0.016 9.575 55 HG23 VAL 6 HG23 VAL 6 10.237 0.534 9.538 56 H GLY 7 H GLY 7 10.770 4.966 7.486 57 HA2 GLY 7 HA2 GLY 7 10.394 5.060 4.607 58 HA3 GLY 7 HA3 GLY 7 10.592 6.401 5.720 59 HA PRO 8 HA PRO 8 15.028 6.925 5.114 60 HB2 PRO 8 HB2 PRO 8 15.881 4.731 6.971 61 HB3 PRO 8 HB3 PRO 8 16.512 6.385 6.816 62 HG2 PRO 8 HG2 PRO 8 14.927 5.793 8.814 63 HG3 PRO 8 HG3 PRO 8 14.711 7.322 7.937 64 HD2 PRO 8 HD2 PRO 8 13.048 4.835 7.806 65 HD3 PRO 8 HD3 PRO 8 12.545 6.539 7.679 66 H ASN 9 H ASN 9 15.466 6.281 3.093 67 HA ASN 9 HA ASN 9 16.373 3.544 2.596 68 HB2 ASN 9 HB2 ASN 9 14.186 4.886 0.994 69 HB3 ASN 9 HB3 ASN 9 14.988 3.382 0.552 70 HD21 ASN 9 HD21 ASN 9 12.103 4.159 1.559 71 HD22 ASN 9 HD22 ASN 9 11.800 2.983 2.745 72 H LEU 10 H LEU 10 17.148 3.377 0.287 73 HA LEU 10 HA LEU 10 19.119 5.401 -0.186 74 HB2 LEU 10 HB2 LEU 10 19.557 2.995 -0.628 75 HB3 LEU 10 HB3 LEU 10 18.328 3.008 -1.887 76 HG LEU 10 HG LEU 10 19.661 4.798 -3.073 77 HD11 LEU 10 HD11 LEU 10 20.954 5.638 -1.149 78 HD12 LEU 10 HD12 LEU 10 22.039 5.076 -2.418 79 HD13 LEU 10 HD13 LEU 10 21.756 4.075 -0.994 80 HD21 LEU 10 HD21 LEU 10 19.870 2.546 -3.875 81 HD22 LEU 10 HD22 LEU 10 20.907 2.092 -2.523 82 HD23 LEU 10 HD23 LEU 10 21.510 3.185 -3.770 83 HA PRO 11 HA PRO 11 16.243 7.996 -2.569 84 HB2 PRO 11 HB2 PRO 11 18.719 9.053 -3.842 85 HB3 PRO 11 HB3 PRO 11 17.379 9.928 -3.072 86 HG2 PRO 11 HG2 PRO 11 19.673 9.703 -1.813 87 HG3 PRO 11 HG3 PRO 11 18.146 9.501 -0.927 88 HD2 PRO 11 HD2 PRO 11 20.053 7.385 -1.877 89 HD3 PRO 11 HD3 PRO 11 19.168 7.496 -0.335 90 H ILE 12 H ILE 12 15.201 7.709 -4.512 91 HA ILE 12 HA ILE 12 16.627 6.124 -6.599 92 HB ILE 12 HB ILE 12 13.628 6.254 -6.099 93 HG12 ILE 12 HG12 ILE 12 15.527 3.917 -5.681 94 HG13 ILE 12 HG13 ILE 12 15.066 5.001 -4.375 95 HG21 ILE 12 HG21 ILE 12 13.544 4.405 -7.762 96 HG22 ILE 12 HG22 ILE 12 15.283 4.564 -8.012 97 HG23 ILE 12 HG23 ILE 12 14.204 5.879 -8.474 98 HD11 ILE 12 HD11 ILE 12 13.702 2.779 -4.746 99 HD12 ILE 12 HD12 ILE 12 12.910 3.688 -6.031 100 HD13 ILE 12 HD13 ILE 12 12.840 4.269 -4.367 101 H LEU 13 H LEU 13 16.949 7.036 -8.527 102 HA LEU 13 HA LEU 13 15.575 9.578 -9.095 103 HB2 LEU 13 HB2 LEU 13 18.184 9.396 -8.645 104 HB3 LEU 13 HB3 LEU 13 18.213 8.928 -10.343 105 HG LEU 13 HG LEU 13 16.757 11.400 -9.393 106 HD11 LEU 13 HD11 LEU 13 18.725 12.723 -9.930 107 HD12 LEU 13 HD12 LEU 13 19.600 11.280 -10.444 108 HD13 LEU 13 HD13 LEU 13 19.180 11.498 -8.745 109 HD21 LEU 13 HD21 LEU 13 17.273 12.052 -11.823 110 HD22 LEU 13 HD22 LEU 13 16.123 10.731 -11.614 111 HD23 LEU 13 HD23 LEU 13 17.794 10.384 -12.058 112 H ALA 14 H ALA 14 14.158 9.511 -10.642 113 HA ALA 14 HA ALA 14 14.727 7.934 -13.073 114 HB1 ALA 14 HB1 ALA 14 12.549 7.130 -13.209 115 HB2 ALA 14 HB2 ALA 14 11.903 8.411 -12.182 116 HB3 ALA 14 HB3 ALA 14 12.819 7.085 -11.466 117 H LYS 15 H LYS 15 14.519 9.049 -14.948 118 HA LYS 15 HA LYS 15 14.190 11.901 -14.826 119 HB2 LYS 15 HB2 LYS 15 15.830 10.796 -16.327 120 HB3 LYS 15 HB3 LYS 15 14.489 10.122 -17.254 121 HG2 LYS 15 HG2 LYS 15 13.698 12.396 -17.787 122 HG3 LYS 15 HG3 LYS 15 15.013 13.082 -16.832 123 HD2 LYS 15 HD2 LYS 15 16.661 12.022 -18.330 124 HD3 LYS 15 HD3 LYS 15 15.347 11.340 -19.291 125 HE2 LYS 15 HE2 LYS 15 14.534 13.600 -19.812 126 HE3 LYS 15 HE3 LYS 15 15.830 14.299 -18.841 127 HZ1 LYS 15 HZ1 LYS 15 17.432 13.201 -20.318 128 HZ2 LYS 15 HZ2 LYS 15 16.444 14.304 -21.149 129 HZ3 LYS 15 HZ3 LYS 15 16.155 12.634 -21.279 130 H VAL 16 H VAL 16 12.548 13.185 -15.544 131 HA VAL 16 HA VAL 16 9.912 12.347 -15.434 132 HB VAL 16 HB VAL 16 10.575 14.703 -15.239 133 HG11 VAL 16 HG11 VAL 16 11.095 16.011 -17.303 134 HG12 VAL 16 HG12 VAL 16 11.144 14.502 -18.213 135 HG13 VAL 16 HG13 VAL 16 12.322 14.797 -16.934 136 HG21 VAL 16 HG21 VAL 16 8.641 15.623 -16.217 137 HG22 VAL 16 HG22 VAL 16 8.224 13.914 -16.135 138 HG23 VAL 16 HG23 VAL 16 8.755 14.614 -17.658 139 H GLY 17 H GLY 17 8.441 11.564 -16.818 140 HA2 GLY 17 HA2 GLY 17 7.496 11.001 -18.930 141 HA3 GLY 17 HA3 GLY 17 9.075 11.239 -19.674 142 H GLU 18 H GLU 18 10.281 9.672 -17.345 143 HA GLU 18 HA GLU 18 9.782 6.977 -18.403 144 HB2 GLU 18 HB2 GLU 18 12.072 8.008 -16.697 145 HB3 GLU 18 HB3 GLU 18 11.914 6.368 -17.322 146 HG2 GLU 18 HG2 GLU 18 12.089 8.872 -19.036 147 HG3 GLU 18 HG3 GLU 18 13.421 7.761 -18.738 148 H ASP 19 H ASP 19 9.731 5.207 -16.820 149 HA ASP 19 HA ASP 19 7.868 5.794 -14.714 150 HB2 ASP 19 HB2 ASP 19 7.887 3.355 -14.341 151 HB3 ASP 19 HB3 ASP 19 7.700 3.750 -16.054 152 H ALA 20 H ALA 20 8.138 5.165 -12.451 153 HA ALA 20 HA ALA 20 10.918 5.159 -11.458 154 HB1 ALA 20 HB1 ALA 20 10.235 7.476 -11.273 155 HB2 ALA 20 HB2 ALA 20 10.260 6.756 -9.664 156 HB3 ALA 20 HB3 ALA 20 8.725 7.003 -10.490 157 H LEU 21 H LEU 21 11.078 4.549 -9.156 158 HA LEU 21 HA LEU 21 9.027 2.518 -8.501 159 HB2 LEU 21 HB2 LEU 21 11.318 1.676 -9.032 160 HB3 LEU 21 HB3 LEU 21 11.943 2.600 -7.667 161 HG LEU 21 HG LEU 21 10.326 1.326 -6.184 162 HD11 LEU 21 HD11 LEU 21 8.685 0.503 -7.686 163 HD12 LEU 21 HD12 LEU 21 9.609 -0.930 -7.244 164 HD13 LEU 21 HD13 LEU 21 9.895 -0.141 -8.792 165 HD21 LEU 21 HD21 LEU 21 11.716 -0.733 -6.159 166 HD22 LEU 21 HD22 LEU 21 12.712 0.713 -6.330 167 HD23 LEU 21 HD23 LEU 21 12.376 -0.297 -7.736 168 H LEU 22 H LEU 22 7.805 2.879 -6.783 169 HA LEU 22 HA LEU 22 8.717 4.749 -4.655 170 HB2 LEU 22 HB2 LEU 22 5.878 3.748 -5.110 171 HB3 LEU 22 HB3 LEU 22 6.385 5.097 -4.109 172 HG LEU 22 HG LEU 22 6.609 5.012 -7.148 173 HD11 LEU 22 HD11 LEU 22 4.668 6.541 -5.389 174 HD12 LEU 22 HD12 LEU 22 4.267 5.089 -6.306 175 HD13 LEU 22 HD13 LEU 22 4.726 6.567 -7.150 176 HD21 LEU 22 HD21 LEU 22 8.254 6.538 -6.417 177 HD22 LEU 22 HD22 LEU 22 7.279 7.092 -5.051 178 HD23 LEU 22 HD23 LEU 22 6.869 7.588 -6.691 179 H THR 23 H THR 23 9.604 3.564 -2.931 180 HA THR 23 HA THR 23 8.128 1.155 -2.101 181 HB THR 23 HB THR 23 9.905 0.356 -3.555 182 HG1 THR 23 HG1 THR 23 9.305 -0.734 -1.541 183 HG21 THR 23 HG21 THR 23 12.282 0.669 -2.864 184 HG22 THR 23 HG22 THR 23 11.742 1.794 -1.618 185 HG23 THR 23 HG23 THR 23 11.502 2.184 -3.321 186 H CYS 24 H CYS 24 8.257 0.470 -0.028 187 HA CYS 24 HA CYS 24 9.873 1.927 1.939 188 HB2 CYS 24 HB2 CYS 24 7.941 2.372 3.404 189 HB3 CYS 24 HB3 CYS 24 7.765 3.214 1.870 190 H GLN 25 H GLN 25 9.520 0.896 4.208 191 HA GLN 25 HA GLN 25 9.399 -2.036 3.822 192 HB2 GLN 25 HB2 GLN 25 10.865 -0.377 5.849 193 HB3 GLN 25 HB3 GLN 25 10.783 -2.137 5.906 194 HG2 GLN 25 HG2 GLN 25 11.800 -2.247 3.657 195 HG3 GLN 25 HG3 GLN 25 11.891 -0.486 3.614 196 HE21 GLN 25 HE21 GLN 25 14.155 -0.154 3.738 197 HE22 GLN 25 HE22 GLN 25 15.119 -0.731 5.009 198 H LEU 26 H LEU 26 7.674 -2.990 4.505 199 HA LEU 26 HA LEU 26 6.419 -2.190 7.017 200 HB2 LEU 26 HB2 LEU 26 4.152 -2.586 6.036 201 HB3 LEU 26 HB3 LEU 26 4.977 -1.143 5.455 202 HG LEU 26 HG LEU 26 5.798 -2.672 3.498 203 HD11 LEU 26 HD11 LEU 26 5.205 -4.852 4.217 204 HD12 LEU 26 HD12 LEU 26 3.965 -4.462 3.031 205 HD13 LEU 26 HD13 LEU 26 3.605 -4.341 4.752 206 HD21 LEU 26 HD21 LEU 26 3.455 -2.382 2.366 207 HD22 LEU 26 HD22 LEU 26 4.271 -0.938 2.947 208 HD23 LEU 26 HD23 LEU 26 2.968 -1.651 3.892 209 H LEU 27 H LEU 27 4.837 -3.871 7.809 210 HA LEU 27 HA LEU 27 6.322 -6.357 7.868 211 HB2 LEU 27 HB2 LEU 27 3.888 -5.325 9.349 212 HB3 LEU 27 HB3 LEU 27 4.563 -6.913 9.658 213 HG LEU 27 HG LEU 27 6.159 -4.337 9.859 214 HD11 LEU 27 HD11 LEU 27 5.921 -4.647 12.317 215 HD12 LEU 27 HD12 LEU 27 4.799 -5.975 12.018 216 HD13 LEU 27 HD13 LEU 27 4.372 -4.335 11.532 217 HD21 LEU 27 HD21 LEU 27 6.672 -7.220 10.671 218 HD22 LEU 27 HD22 LEU 27 7.648 -5.874 11.259 219 HD23 LEU 27 HD23 LEU 27 7.609 -6.247 9.536 220 HA PRO 28 HA PRO 28 4.623 -9.549 5.420 221 HB2 PRO 28 HB2 PRO 28 2.419 -9.953 7.381 222 HB3 PRO 28 HB3 PRO 28 3.415 -11.148 6.518 223 HG2 PRO 28 HG2 PRO 28 3.941 -10.118 9.096 224 HG3 PRO 28 HG3 PRO 28 5.038 -11.086 8.097 225 HD2 PRO 28 HD2 PRO 28 5.550 -8.446 8.849 226 HD3 PRO 28 HD3 PRO 28 6.281 -9.246 7.445 227 H LYS 29 H LYS 29 3.637 -9.331 3.606 228 HA LYS 29 HA LYS 29 1.444 -7.462 3.193 229 HB2 LYS 29 HB2 LYS 29 3.457 -7.658 1.677 230 HB3 LYS 29 HB3 LYS 29 2.822 -9.220 1.164 231 HG2 LYS 29 HG2 LYS 29 0.763 -8.168 0.370 232 HG3 LYS 29 HG3 LYS 29 1.298 -6.601 0.979 233 HD2 LYS 29 HD2 LYS 29 1.799 -6.578 -1.348 234 HD3 LYS 29 HD3 LYS 29 3.338 -6.886 -0.543 235 HE2 LYS 29 HE2 LYS 29 3.121 -9.290 -0.973 236 HE3 LYS 29 HE3 LYS 29 1.537 -9.037 -1.705 237 HZ1 LYS 29 HZ1 LYS 29 2.923 -7.368 -3.168 238 HZ2 LYS 29 HZ2 LYS 29 2.826 -9.020 -3.553 239 HZ3 LYS 29 HZ3 LYS 29 4.194 -8.410 -2.752 240 H ARG 30 H ARG 30 1.754 -10.770 3.917 241 HA ARG 30 HA ARG 30 -0.586 -11.641 2.414 242 HB2 ARG 30 HB2 ARG 30 1.594 -13.013 2.841 243 HB3 ARG 30 HB3 ARG 30 0.915 -13.297 4.439 244 HG2 ARG 30 HG2 ARG 30 0.207 -15.153 3.118 245 HG3 ARG 30 HG3 ARG 30 -1.206 -14.103 3.233 246 HD2 ARG 30 HD2 ARG 30 -0.657 -13.135 1.011 247 HD3 ARG 30 HD3 ARG 30 0.745 -14.193 0.909 248 HE ARG 30 HE ARG 30 -0.682 -15.982 0.427 249 HH11 ARG 30 HH11 ARG 30 -2.588 -13.213 1.441 250 HH12 ARG 30 HH12 ARG 30 -4.093 -13.916 0.952 251 HH21 ARG 30 HH21 ARG 30 -2.667 -16.855 -0.220 252 HH22 ARG 30 HH22 ARG 30 -4.134 -15.966 0.017 253 H THR 31 H THR 31 -2.528 -12.135 3.297 254 HA THR 31 HA THR 31 -4.266 -12.215 4.797 255 HB THR 31 HB THR 31 -2.390 -11.680 7.113 256 HG1 THR 31 HG1 THR 31 -1.894 -13.803 7.156 257 HG21 THR 31 HG21 THR 31 -4.664 -11.634 7.777 258 HG22 THR 31 HG22 THR 31 -4.109 -13.254 8.192 259 HG23 THR 31 HG23 THR 31 -5.081 -13.000 6.743 260 H THR 32 H THR 32 -3.111 -9.839 3.508 261 HA THR 32 HA THR 32 -3.723 -7.632 5.320 262 HB THR 32 HB THR 32 -2.990 -6.209 3.405 263 HG1 THR 32 HG1 THR 32 -1.969 -7.455 1.675 264 HG21 THR 32 HG21 THR 32 -1.300 -6.828 4.985 265 HG22 THR 32 HG22 THR 32 -0.607 -7.064 3.381 266 HG23 THR 32 HG23 THR 32 -1.174 -8.453 4.307 267 H ALA 33 H ALA 33 -5.887 -9.336 4.760 268 HA ALA 33 HA ALA 33 -7.583 -8.487 2.684 269 HB1 ALA 33 HB1 ALA 33 -9.346 -9.634 3.872 270 HB2 ALA 33 HB2 ALA 33 -8.407 -9.612 5.365 271 HB3 ALA 33 HB3 ALA 33 -7.866 -10.584 3.996 272 H HIS 34 H HIS 34 -7.199 -7.361 6.023 273 HA HIS 34 HA HIS 34 -9.154 -5.198 5.508 274 HB2 HIS 34 HB2 HIS 34 -8.197 -6.387 8.117 275 HB3 HIS 34 HB3 HIS 34 -9.265 -4.987 7.992 276 HD2 HIS 34 HD2 HIS 34 -11.940 -5.600 7.409 277 HE1 HIS 34 HE1 HIS 34 -11.424 -9.767 6.973 278 HE2 HIS 34 HE2 HIS 34 -13.139 -7.900 7.110 279 H MET 35 H MET 35 -6.025 -5.430 5.056 280 HA MET 35 HA MET 35 -5.258 -2.976 6.510 281 HB2 MET 35 HB2 MET 35 -3.692 -5.276 5.369 282 HB3 MET 35 HB3 MET 35 -2.908 -3.709 5.567 283 HG2 MET 35 HG2 MET 35 -2.467 -4.823 7.610 284 HG3 MET 35 HG3 MET 35 -3.826 -3.772 7.990 285 HE1 MET 35 HE1 MET 35 -2.521 -7.088 8.789 286 HE2 MET 35 HE2 MET 35 -2.587 -7.237 7.037 287 HE3 MET 35 HE3 MET 35 -3.586 -8.287 8.037 288 H GLU 36 H GLU 36 -4.242 -1.242 5.448 289 HA GLU 36 HA GLU 36 -4.599 -1.150 2.524 290 HB2 GLU 36 HB2 GLU 36 -5.358 1.018 4.494 291 HB3 GLU 36 HB3 GLU 36 -5.382 1.191 2.740 292 HG2 GLU 36 HG2 GLU 36 -7.000 -0.662 2.585 293 HG3 GLU 36 HG3 GLU 36 -6.999 -0.813 4.341 294 H VAL 37 H VAL 37 -3.108 0.055 1.368 295 HA VAL 37 HA VAL 37 -0.893 1.278 2.889 296 HB VAL 37 HB VAL 37 -0.600 -0.372 0.355 297 HG11 VAL 37 HG11 VAL 37 1.546 0.888 2.088 298 HG12 VAL 37 HG12 VAL 37 0.989 1.556 0.555 299 HG13 VAL 37 HG13 VAL 37 1.793 -0.011 0.591 300 HG21 VAL 37 HG21 VAL 37 -1.023 -1.666 2.491 301 HG22 VAL 37 HG22 VAL 37 0.447 -0.943 3.146 302 HG23 VAL 37 HG23 VAL 37 0.537 -2.004 1.741 303 H ARG 38 H ARG 38 -0.440 3.347 2.318 304 HA ARG 38 HA ARG 38 -1.593 4.330 -0.246 305 HB2 ARG 38 HB2 ARG 38 -1.545 5.718 2.434 306 HB3 ARG 38 HB3 ARG 38 -2.008 6.492 0.917 307 HG2 ARG 38 HG2 ARG 38 -3.774 4.764 0.606 308 HG3 ARG 38 HG3 ARG 38 -3.349 4.085 2.179 309 HD2 ARG 38 HD2 ARG 38 -3.886 6.224 3.264 310 HD3 ARG 38 HD3 ARG 38 -4.288 6.927 1.701 311 HE ARG 38 HE ARG 38 -6.312 5.752 1.727 312 HH11 ARG 38 HH11 ARG 38 -4.259 4.609 4.342 313 HH12 ARG 38 HH12 ARG 38 -5.523 3.694 5.093 314 HH21 ARG 38 HH21 ARG 38 -7.932 4.548 2.745 315 HH22 ARG 38 HH22 ARG 38 -7.589 3.660 4.193 316 H TRP 39 H TRP 39 -0.515 5.816 -1.428 317 HA TRP 39 HA TRP 39 2.230 6.559 -0.589 318 HB2 TRP 39 HB2 TRP 39 1.201 5.845 -3.360 319 HB3 TRP 39 HB3 TRP 39 2.792 6.529 -3.039 320 HD1 TRP 39 HD1 TRP 39 4.646 4.944 -2.075 321 HE1 TRP 39 HE1 TRP 39 4.776 2.410 -1.672 322 HE3 TRP 39 HE3 TRP 39 -0.272 3.695 -2.665 323 HZ2 TRP 39 HZ2 TRP 39 3.046 0.149 -1.613 324 HZ3 TRP 39 HZ3 TRP 39 -1.000 1.333 -2.434 325 HH2 TRP 39 HH2 TRP 39 0.654 -0.438 -1.908 326 H TYR 40 H TYR 40 2.770 8.753 -0.850 327 HA TYR 40 HA TYR 40 0.701 10.539 -2.066 328 HB2 TYR 40 HB2 TYR 40 2.262 11.055 0.479 329 HB3 TYR 40 HB3 TYR 40 1.102 12.151 -0.266 330 HD1 TYR 40 HD1 TYR 40 1.551 9.076 1.672 331 HD2 TYR 40 HD2 TYR 40 -1.326 11.615 -0.256 332 HE1 TYR 40 HE1 TYR 40 -0.268 7.941 2.894 333 HE2 TYR 40 HE2 TYR 40 -3.147 10.484 0.972 334 HH TYR 40 HH TYR 40 -3.488 9.166 2.959 335 H ARG 41 H ARG 41 1.473 11.844 -3.606 336 HA ARG 41 HA ARG 41 4.343 12.162 -3.954 337 HB2 ARG 41 HB2 ARG 41 3.725 13.471 -5.999 338 HB3 ARG 41 HB3 ARG 41 3.058 11.843 -5.985 339 HG2 ARG 41 HG2 ARG 41 0.877 12.760 -5.200 340 HG3 ARG 41 HG3 ARG 41 1.530 14.391 -5.283 341 HD2 ARG 41 HD2 ARG 41 1.985 14.099 -7.683 342 HD3 ARG 41 HD3 ARG 41 1.313 12.473 -7.608 343 HE ARG 41 HE ARG 41 -0.607 14.293 -6.604 344 HH11 ARG 41 HH11 ARG 41 0.913 13.440 -9.656 345 HH12 ARG 41 HH12 ARG 41 -0.441 13.948 -10.610 346 HH21 ARG 41 HH21 ARG 41 -2.349 14.950 -7.890 347 HH22 ARG 41 HH22 ARG 41 -2.273 14.798 -9.613 348 H SER 42 H SER 42 4.749 13.215 -1.926 349 HA SER 42 HA SER 42 4.991 14.991 -0.505 350 HB2 SER 42 HB2 SER 42 5.207 17.274 -1.792 351 HB3 SER 42 HB3 SER 42 6.439 16.035 -1.982 352 HG SER 42 HG SER 42 5.523 17.028 -3.957 353 H ASP 43 H ASP 43 2.199 14.161 -1.388 354 HA ASP 43 HA ASP 43 0.777 16.505 -0.315 355 HB2 ASP 43 HB2 ASP 43 0.536 16.350 -2.838 356 HB3 ASP 43 HB3 ASP 43 -0.261 14.804 -2.595 357 HA PRO 44 HA PRO 44 -0.189 12.631 2.129 358 HB2 PRO 44 HB2 PRO 44 -0.874 13.932 4.443 359 HB3 PRO 44 HB3 PRO 44 0.792 13.489 4.010 360 HG2 PRO 44 HG2 PRO 44 -0.599 16.112 3.712 361 HG3 PRO 44 HG3 PRO 44 1.041 15.765 4.295 362 HD2 PRO 44 HD2 PRO 44 0.628 16.648 1.791 363 HD3 PRO 44 HD3 PRO 44 1.894 15.444 2.143 364 H ASP 45 H ASP 45 -2.081 15.500 1.476 365 HA ASP 45 HA ASP 45 -4.570 14.314 2.445 366 HB2 ASP 45 HB2 ASP 45 -4.049 16.994 1.152 367 HB3 ASP 45 HB3 ASP 45 -5.583 16.470 1.843 368 H MET 46 H MET 46 -2.852 14.002 -0.400 369 HA MET 46 HA MET 46 -5.320 13.426 -1.922 370 HB2 MET 46 HB2 MET 46 -4.309 15.601 -2.652 371 HB3 MET 46 HB3 MET 46 -2.851 14.722 -3.109 372 HG2 MET 46 HG2 MET 46 -4.234 14.999 -5.089 373 HG3 MET 46 HG3 MET 46 -4.251 13.298 -4.626 374 HE1 MET 46 HE1 MET 46 -7.574 16.417 -4.237 375 HE2 MET 46 HE2 MET 46 -5.966 16.598 -4.935 376 HE3 MET 46 HE3 MET 46 -6.153 16.504 -3.185 377 HA PRO 47 HA PRO 47 -2.614 9.562 -1.879 378 HB2 PRO 47 HB2 PRO 47 -5.309 8.383 -2.383 379 HB3 PRO 47 HB3 PRO 47 -4.043 7.866 -1.250 380 HG2 PRO 47 HG2 PRO 47 -6.209 9.052 -0.356 381 HG3 PRO 47 HG3 PRO 47 -4.626 9.452 0.331 382 HD2 PRO 47 HD2 PRO 47 -6.271 11.025 -1.632 383 HD3 PRO 47 HD3 PRO 47 -5.315 11.606 -0.245 384 H VAL 48 H VAL 48 -1.757 8.642 -3.737 385 HA VAL 48 HA VAL 48 -2.953 9.403 -6.306 386 HB VAL 48 HB VAL 48 -0.849 8.572 -7.314 387 HG11 VAL 48 HG11 VAL 48 0.645 10.278 -6.289 388 HG12 VAL 48 HG12 VAL 48 -0.502 10.451 -4.961 389 HG13 VAL 48 HG13 VAL 48 -0.976 10.902 -6.599 390 HG21 VAL 48 HG21 VAL 48 -0.323 6.782 -5.697 391 HG22 VAL 48 HG22 VAL 48 -0.075 7.984 -4.431 392 HG23 VAL 48 HG23 VAL 48 1.021 7.915 -5.807 393 H ILE 49 H ILE 49 -2.151 6.528 -4.456 394 HA ILE 49 HA ILE 49 -4.215 4.975 -5.631 395 HB ILE 49 HB ILE 49 -2.373 4.967 -7.439 396 HG12 ILE 49 HG12 ILE 49 -2.612 2.509 -7.879 397 HG13 ILE 49 HG13 ILE 49 -3.396 2.311 -6.309 398 HG21 ILE 49 HG21 ILE 49 -0.473 3.506 -7.165 399 HG22 ILE 49 HG22 ILE 49 -1.005 3.038 -5.550 400 HG23 ILE 49 HG23 ILE 49 -0.461 4.688 -5.854 401 HD11 ILE 49 HD11 ILE 49 -4.373 4.246 -8.435 402 HD12 ILE 49 HD12 ILE 49 -5.228 3.734 -6.980 403 HD13 ILE 49 HD13 ILE 49 -4.965 2.590 -8.295 404 H MET 50 H MET 50 -4.444 2.878 -4.529 405 HA MET 50 HA MET 50 -2.690 2.533 -2.194 406 HB2 MET 50 HB2 MET 50 -4.603 2.389 -0.653 407 HB3 MET 50 HB3 MET 50 -4.485 3.981 -1.399 408 HG2 MET 50 HG2 MET 50 -6.213 3.313 -3.059 409 HG3 MET 50 HG3 MET 50 -6.348 1.744 -2.265 410 HE1 MET 50 HE1 MET 50 -9.118 2.122 -1.651 411 HE2 MET 50 HE2 MET 50 -8.608 3.239 -2.911 412 HE3 MET 50 HE3 MET 50 -9.577 3.831 -1.565 413 H TYR 51 H TYR 51 -2.753 0.535 -1.166 414 HA TYR 51 HA TYR 51 -3.817 -1.679 -2.814 415 HB2 TYR 51 HB2 TYR 51 -1.307 -1.439 -2.409 416 HB3 TYR 51 HB3 TYR 51 -1.646 -1.803 -0.720 417 HD1 TYR 51 HD1 TYR 51 -2.083 -3.116 -4.190 418 HD2 TYR 51 HD2 TYR 51 -1.887 -4.049 0.000 419 HE1 TYR 51 HE1 TYR 51 -2.042 -5.534 -4.730 420 HE2 TYR 51 HE2 TYR 51 -1.852 -6.468 -0.543 421 HH TYR 51 HH TYR 51 -1.407 -7.615 -3.779 422 H ARG 52 H ARG 52 -5.749 -2.250 -1.985 423 HA ARG 52 HA ARG 52 -6.026 -2.540 0.948 424 HB2 ARG 52 HB2 ARG 52 -7.310 -0.632 0.183 425 HB3 ARG 52 HB3 ARG 52 -8.083 -1.594 -1.075 426 HG2 ARG 52 HG2 ARG 52 -9.171 -2.987 0.667 427 HG3 ARG 52 HG3 ARG 52 -8.397 -2.032 1.928 428 HD2 ARG 52 HD2 ARG 52 -9.560 -0.022 1.172 429 HD3 ARG 52 HD3 ARG 52 -10.265 -0.908 -0.177 430 HE ARG 52 HE ARG 52 -10.953 -2.204 2.249 431 HH11 ARG 52 HH11 ARG 52 -11.687 0.744 0.482 432 HH12 ARG 52 HH12 ARG 52 -13.270 0.907 1.167 433 HH21 ARG 52 HH21 ARG 52 -13.023 -1.948 3.127 434 HH22 ARG 52 HH22 ARG 52 -14.023 -0.617 2.645 435 H ASP 53 H ASP 53 -6.818 -4.378 1.751 436 HA ASP 53 HA ASP 53 -7.424 -6.580 1.865 437 HB2 ASP 53 HB2 ASP 53 -9.575 -5.399 1.221 438 HB3 ASP 53 HB3 ASP 53 -9.269 -5.903 -0.436 439 H GLY 54 H GLY 54 -5.103 -6.303 0.528 440 HA2 GLY 54 HA2 GLY 54 -3.635 -7.589 -0.713 441 HA3 GLY 54 HA3 GLY 54 -4.946 -8.739 -0.934 442 H ALA 55 H ALA 55 -5.809 -5.597 -2.020 443 HA ALA 55 HA ALA 55 -4.820 -6.022 -4.748 444 HB1 ALA 55 HB1 ALA 55 -6.999 -7.256 -4.537 445 HB2 ALA 55 HB2 ALA 55 -6.978 -6.005 -5.780 446 HB3 ALA 55 HB3 ALA 55 -7.777 -5.702 -4.237 447 H GLU 56 H GLU 56 -4.750 -4.191 -6.030 448 HA GLU 56 HA GLU 56 -4.715 -1.652 -4.685 449 HB2 GLU 56 HB2 GLU 56 -3.185 -2.318 -6.587 450 HB3 GLU 56 HB3 GLU 56 -4.565 -2.123 -7.665 451 HG2 GLU 56 HG2 GLU 56 -4.816 0.205 -6.972 452 HG3 GLU 56 HG3 GLU 56 -3.469 0.031 -5.848 453 H VAL 57 H VAL 57 -6.094 0.100 -4.918 454 HA VAL 57 HA VAL 57 -8.828 -0.442 -5.135 455 HB VAL 57 HB VAL 57 -7.907 1.505 -3.923 456 HG11 VAL 57 HG11 VAL 57 -6.213 2.028 -5.775 457 HG12 VAL 57 HG12 VAL 57 -7.000 3.408 -5.010 458 HG13 VAL 57 HG13 VAL 57 -7.535 2.857 -6.598 459 HG21 VAL 57 HG21 VAL 57 -9.586 3.205 -4.765 460 HG22 VAL 57 HG22 VAL 57 -10.265 1.600 -4.498 461 HG23 VAL 57 HG23 VAL 57 -9.892 2.137 -6.135 462 H THR 58 H THR 58 -9.975 -1.019 -6.848 463 HA THR 58 HA THR 58 -9.080 -0.702 -9.541 464 HB THR 58 HB THR 58 -11.291 -1.640 -10.146 465 HG1 THR 58 HG1 THR 58 -12.645 -0.822 -8.656 466 HG21 THR 58 HG21 THR 58 -9.585 -3.233 -9.624 467 HG22 THR 58 HG22 THR 58 -11.044 -3.772 -8.792 468 HG23 THR 58 HG23 THR 58 -9.767 -2.956 -7.892 469 H GLY 59 H GLY 59 -11.403 1.007 -7.503 470 HA2 GLY 59 HA2 GLY 59 -12.579 2.965 -7.785 471 HA3 GLY 59 HA3 GLY 59 -11.205 3.477 -8.760 472 H LEU 60 H LEU 60 -12.037 4.385 -10.524 473 HA LEU 60 HA LEU 60 -14.438 3.474 -11.817 474 HB2 LEU 60 HB2 LEU 60 -12.366 5.563 -12.557 475 HB3 LEU 60 HB3 LEU 60 -13.720 5.177 -13.605 476 HG LEU 60 HG LEU 60 -14.242 7.159 -12.255 477 HD11 LEU 60 HD11 LEU 60 -16.392 6.558 -11.474 478 HD12 LEU 60 HD12 LEU 60 -15.880 4.918 -11.074 479 HD13 LEU 60 HD13 LEU 60 -16.029 5.409 -12.762 480 HD21 LEU 60 HD21 LEU 60 -14.232 7.216 -9.868 481 HD22 LEU 60 HD22 LEU 60 -12.714 6.436 -10.312 482 HD23 LEU 60 HD23 LEU 60 -14.073 5.463 -9.749 483 HA PRO 61 HA PRO 61 -12.811 0.436 -14.633 484 HB2 PRO 61 HB2 PRO 61 -14.006 1.061 -17.034 485 HB3 PRO 61 HB3 PRO 61 -14.822 0.217 -15.704 486 HG2 PRO 61 HG2 PRO 61 -14.928 3.103 -16.447 487 HG3 PRO 61 HG3 PRO 61 -16.238 2.020 -15.942 488 HD2 PRO 61 HD2 PRO 61 -15.164 3.777 -14.215 489 HD3 PRO 61 HD3 PRO 61 -15.674 2.156 -13.678 490 H MET 62 H MET 62 -12.503 3.819 -15.483 491 HA MET 62 HA MET 62 -10.763 3.635 -17.702 492 HB2 MET 62 HB2 MET 62 -11.139 5.789 -15.615 493 HB3 MET 62 HB3 MET 62 -10.087 5.973 -17.019 494 HG2 MET 62 HG2 MET 62 -11.989 5.572 -18.521 495 HG3 MET 62 HG3 MET 62 -13.052 5.335 -17.132 496 HE1 MET 62 HE1 MET 62 -13.674 7.029 -19.362 497 HE2 MET 62 HE2 MET 62 -13.902 8.728 -18.961 498 HE3 MET 62 HE3 MET 62 -14.751 7.496 -18.034 499 H GLU 63 H GLU 63 -10.171 3.720 -14.214 500 HA GLU 63 HA GLU 63 -8.318 3.357 -12.944 501 HB2 GLU 63 HB2 GLU 63 -8.515 1.205 -14.627 502 HB3 GLU 63 HB3 GLU 63 -6.916 1.790 -15.063 503 HG2 GLU 63 HG2 GLU 63 -6.517 0.258 -13.294 504 HG3 GLU 63 HG3 GLU 63 -6.435 1.845 -12.536 505 H GLY 64 H GLY 64 -8.208 5.778 -13.961 506 HA2 GLY 64 HA2 GLY 64 -6.074 6.484 -15.656 507 HA3 GLY 64 HA3 GLY 64 -6.834 7.549 -14.477 508 H TYR 65 H TYR 65 -6.249 6.136 -12.126 509 HA TYR 65 HA TYR 65 -3.393 6.746 -11.847 510 HB2 TYR 65 HB2 TYR 65 -5.592 6.281 -9.833 511 HB3 TYR 65 HB3 TYR 65 -3.904 6.532 -9.389 512 HD1 TYR 65 HD1 TYR 65 -6.869 8.079 -10.987 513 HD2 TYR 65 HD2 TYR 65 -2.872 8.699 -9.549 514 HE1 TYR 65 HE1 TYR 65 -7.176 10.531 -11.187 515 HE2 TYR 65 HE2 TYR 65 -3.177 11.152 -9.752 516 HH TYR 65 HH TYR 65 -4.854 12.788 -9.905 517 H GLY 66 H GLY 66 -5.674 4.111 -11.115 518 HA2 GLY 66 HA2 GLY 66 -3.819 2.293 -10.033 519 HA3 GLY 66 HA3 GLY 66 -5.367 1.857 -10.742 520 H GLY 67 H GLY 67 -4.933 2.777 -13.367 521 HA2 GLY 67 HA2 GLY 67 -3.653 0.575 -14.553 522 HA3 GLY 67 HA3 GLY 67 -4.127 2.050 -15.384 523 H ARG 68 H ARG 68 -2.597 3.907 -13.970 524 HA ARG 68 HA ARG 68 -0.134 3.782 -15.351 525 HB2 ARG 68 HB2 ARG 68 -1.325 5.880 -14.656 526 HB3 ARG 68 HB3 ARG 68 -0.798 5.567 -13.002 527 HG2 ARG 68 HG2 ARG 68 1.546 5.646 -13.691 528 HG3 ARG 68 HG3 ARG 68 1.071 5.845 -15.378 529 HD2 ARG 68 HD2 ARG 68 1.617 8.027 -14.538 530 HD3 ARG 68 HD3 ARG 68 -0.127 7.958 -14.707 531 HE ARG 68 HE ARG 68 1.367 7.764 -12.155 532 HH11 ARG 68 HH11 ARG 68 -1.693 8.373 -13.823 533 HH12 ARG 68 HH12 ARG 68 -2.473 8.931 -12.389 534 HH21 ARG 68 HH21 ARG 68 0.285 8.520 -10.341 535 HH22 ARG 68 HH22 ARG 68 -1.369 9.017 -10.440 536 H ALA 69 H ALA 69 -0.959 3.121 -11.933 537 HA ALA 69 HA ALA 69 1.828 2.258 -11.511 538 HB1 ALA 69 HB1 ALA 69 0.696 4.119 -10.087 539 HB2 ALA 69 HB2 ALA 69 1.686 2.896 -9.293 540 HB3 ALA 69 HB3 ALA 69 -0.073 2.765 -9.259 541 H GLU 70 H GLU 70 2.294 0.204 -11.134 542 HA GLU 70 HA GLU 70 0.153 -1.635 -10.252 543 HB2 GLU 70 HB2 GLU 70 2.334 -2.243 -12.274 544 HB3 GLU 70 HB3 GLU 70 1.169 -3.405 -11.648 545 HG2 GLU 70 HG2 GLU 70 0.075 -2.797 -13.590 546 HG3 GLU 70 HG3 GLU 70 -0.596 -1.577 -12.520 547 H TRP 71 H TRP 71 0.735 -3.127 -8.697 548 HA TRP 71 HA TRP 71 3.086 -2.496 -7.167 549 HB2 TRP 71 HB2 TRP 71 2.292 -4.244 -5.605 550 HB3 TRP 71 HB3 TRP 71 1.025 -3.086 -5.998 551 HD1 TRP 71 HD1 TRP 71 2.025 -6.719 -6.415 552 HE1 TRP 71 HE1 TRP 71 0.049 -8.049 -7.406 553 HE3 TRP 71 HE3 TRP 71 -1.131 -2.876 -7.584 554 HZ2 TRP 71 HZ2 TRP 71 -2.522 -7.549 -8.544 555 HZ3 TRP 71 HZ3 TRP 71 -3.337 -3.333 -8.623 556 HH2 TRP 71 HH2 TRP 71 -4.036 -5.663 -9.104 557 H MET 72 H MET 72 5.022 -3.348 -7.253 558 HA MET 72 HA MET 72 5.373 -6.078 -8.282 559 HB2 MET 72 HB2 MET 72 5.868 -4.505 -10.142 560 HB3 MET 72 HB3 MET 72 7.080 -3.718 -9.135 561 HG2 MET 72 HG2 MET 72 8.327 -5.854 -8.964 562 HG3 MET 72 HG3 MET 72 7.118 -6.635 -9.982 563 HE1 MET 72 HE1 MET 72 7.387 -6.251 -13.053 564 HE2 MET 72 HE2 MET 72 7.088 -4.519 -13.090 565 HE3 MET 72 HE3 MET 72 6.217 -5.522 -11.941 566 H GLU 73 H GLU 73 5.934 -7.002 -6.378 567 HA GLU 73 HA GLU 73 7.524 -5.821 -4.345 568 HB2 GLU 73 HB2 GLU 73 6.021 -7.820 -4.041 569 HB3 GLU 73 HB3 GLU 73 7.214 -8.782 -4.913 570 HG2 GLU 73 HG2 GLU 73 8.932 -8.194 -3.226 571 HG3 GLU 73 HG3 GLU 73 7.754 -7.217 -2.365 572 H ASP 74 H ASP 74 9.714 -5.852 -3.962 573 HA ASP 74 HA ASP 74 11.418 -6.245 -6.248 574 HB2 ASP 74 HB2 ASP 74 13.189 -5.360 -4.853 575 HB3 ASP 74 HB3 ASP 74 11.744 -4.385 -4.629 576 H SER 75 H SER 75 13.639 -7.329 -5.781 577 HA SER 75 HA SER 75 13.085 -10.120 -5.211 578 HB2 SER 75 HB2 SER 75 15.266 -10.558 -6.132 579 HB3 SER 75 HB3 SER 75 14.433 -9.405 -7.168 580 HG SER 75 HG SER 75 16.045 -8.112 -6.796 581 H THR 76 H THR 76 14.222 -7.493 -3.366 582 HA THR 76 HA THR 76 16.184 -8.725 -1.751 583 HB THR 76 HB THR 76 14.294 -6.452 -1.032 584 HG1 THR 76 HG1 THR 76 16.021 -5.178 -1.777 585 HG21 THR 76 HG21 THR 76 15.651 -7.642 0.833 586 HG22 THR 76 HG22 THR 76 15.808 -5.891 0.703 587 HG23 THR 76 HG23 THR 76 17.069 -6.940 0.056 588 H GLU 77 H GLU 77 12.656 -8.571 -1.496 589 HA GLU 77 HA GLU 77 11.137 -9.707 -0.213 590 HB2 GLU 77 HB2 GLU 77 12.598 -11.632 -1.181 591 HB3 GLU 77 HB3 GLU 77 13.260 -11.742 0.448 592 HG2 GLU 77 HG2 GLU 77 10.992 -12.080 1.362 593 HG3 GLU 77 HG3 GLU 77 10.312 -11.927 -0.253 594 H GLU 78 H GLU 78 13.118 -7.775 1.044 595 HA GLU 78 HA GLU 78 13.537 -8.652 3.746 596 HB2 GLU 78 HB2 GLU 78 14.261 -6.341 4.170 597 HB3 GLU 78 HB3 GLU 78 15.020 -6.990 2.720 598 HG2 GLU 78 HG2 GLU 78 13.309 -5.842 1.328 599 HG3 GLU 78 HG3 GLU 78 12.593 -5.166 2.789 600 H GLY 79 H GLY 79 10.690 -7.965 2.248 601 HA2 GLY 79 HA2 GLY 79 8.590 -7.922 3.401 602 HA3 GLY 79 HA3 GLY 79 9.382 -7.128 4.755 603 H SER 80 H SER 80 10.455 -5.770 1.841 604 HA SER 80 HA SER 80 8.960 -3.334 2.291 605 HB2 SER 80 HB2 SER 80 10.413 -2.365 0.625 606 HB3 SER 80 HB3 SER 80 11.391 -3.342 1.714 607 HG SER 80 HG SER 80 11.423 -3.539 -0.811 608 H VAL 81 H VAL 81 7.884 -2.217 0.532 609 HA VAL 81 HA VAL 81 6.639 -4.042 -1.441 610 HB VAL 81 HB VAL 81 5.284 -1.747 0.031 611 HG11 VAL 81 HG11 VAL 81 4.137 -3.746 -1.951 612 HG12 VAL 81 HG12 VAL 81 4.492 -2.056 -2.311 613 HG13 VAL 81 HG13 VAL 81 3.244 -2.462 -1.132 614 HG21 VAL 81 HG21 VAL 81 5.411 -3.536 1.570 615 HG22 VAL 81 HG22 VAL 81 5.156 -4.757 0.324 616 HG23 VAL 81 HG23 VAL 81 3.817 -3.736 0.843 617 H ALA 82 H ALA 82 6.996 -3.428 -3.468 618 HA ALA 82 HA ALA 82 7.849 -0.635 -3.965 619 HB1 ALA 82 HB1 ALA 82 9.618 -1.473 -5.043 620 HB2 ALA 82 HB2 ALA 82 8.576 -2.382 -6.135 621 HB3 ALA 82 HB3 ALA 82 9.108 -3.103 -4.618 622 H LEU 83 H LEU 83 6.728 0.573 -5.323 623 HA LEU 83 HA LEU 83 4.560 -0.665 -6.900 624 HB2 LEU 83 HB2 LEU 83 3.729 0.824 -5.101 625 HB3 LEU 83 HB3 LEU 83 4.721 2.135 -5.724 626 HG LEU 83 HG LEU 83 3.454 1.980 -7.902 627 HD11 LEU 83 HD11 LEU 83 1.291 0.769 -7.894 628 HD12 LEU 83 HD12 LEU 83 1.668 0.118 -6.299 629 HD13 LEU 83 HD13 LEU 83 2.649 -0.337 -7.690 630 HD21 LEU 83 HD21 LEU 83 2.889 3.544 -5.940 631 HD22 LEU 83 HD22 LEU 83 1.576 2.427 -5.568 632 HD23 LEU 83 HD23 LEU 83 1.606 3.267 -7.118 633 H LYS 84 H LYS 84 4.872 -0.617 -9.011 634 HA LYS 84 HA LYS 84 6.927 1.094 -10.183 635 HB2 LYS 84 HB2 LYS 84 6.761 -1.321 -10.785 636 HB3 LYS 84 HB3 LYS 84 5.162 -1.021 -11.457 637 HG2 LYS 84 HG2 LYS 84 6.126 0.574 -13.079 638 HG3 LYS 84 HG3 LYS 84 7.733 0.291 -12.408 639 HD2 LYS 84 HD2 LYS 84 7.593 -2.084 -13.027 640 HD3 LYS 84 HD3 LYS 84 5.972 -1.830 -13.671 641 HE2 LYS 84 HE2 LYS 84 7.581 -1.796 -15.507 642 HE3 LYS 84 HE3 LYS 84 6.903 -0.183 -15.292 643 HZ1 LYS 84 HZ1 LYS 84 9.486 -1.102 -14.146 644 HZ2 LYS 84 HZ2 LYS 84 8.847 0.472 -14.064 645 HZ3 LYS 84 HZ3 LYS 84 9.333 -0.177 -15.558 646 H ILE 85 H ILE 85 6.406 3.063 -10.945 647 HA ILE 85 HA ILE 85 3.659 3.519 -11.956 648 HB ILE 85 HB ILE 85 4.055 4.653 -9.791 649 HG12 ILE 85 HG12 ILE 85 3.995 6.747 -11.987 650 HG13 ILE 85 HG13 ILE 85 2.635 5.660 -11.699 651 HG21 ILE 85 HG21 ILE 85 5.668 6.574 -9.735 652 HG22 ILE 85 HG22 ILE 85 6.297 6.038 -11.293 653 HG23 ILE 85 HG23 ILE 85 6.449 4.999 -9.875 654 HD11 ILE 85 HD11 ILE 85 3.834 7.651 -9.754 655 HD12 ILE 85 HD12 ILE 85 2.662 6.425 -9.281 656 HD13 ILE 85 HD13 ILE 85 2.208 7.677 -10.434 657 H ARG 86 H ARG 86 3.440 4.359 -13.932 658 HA ARG 86 HA ARG 86 5.888 4.816 -15.485 659 HB2 ARG 86 HB2 ARG 86 3.042 4.232 -16.305 660 HB3 ARG 86 HB3 ARG 86 4.362 4.531 -17.435 661 HG2 ARG 86 HG2 ARG 86 5.605 2.624 -16.555 662 HG3 ARG 86 HG3 ARG 86 4.354 2.339 -15.344 663 HD2 ARG 86 HD2 ARG 86 2.708 1.929 -17.117 664 HD3 ARG 86 HD3 ARG 86 3.935 2.236 -18.344 665 HE ARG 86 HE ARG 86 4.865 0.190 -16.628 666 HH11 ARG 86 HH11 ARG 86 2.376 0.685 -19.059 667 HH12 ARG 86 HH12 ARG 86 2.326 -0.982 -19.523 668 HH21 ARG 86 HH21 ARG 86 4.766 -1.977 -17.263 669 HH22 ARG 86 HH22 ARG 86 3.672 -2.479 -18.508 670 H GLN 87 H GLN 87 6.060 6.538 -16.984 671 HA GLN 87 HA GLN 87 6.021 8.727 -17.608 672 HB2 GLN 87 HB2 GLN 87 3.082 8.195 -17.139 673 HB3 GLN 87 HB3 GLN 87 3.665 9.742 -17.764 674 HG2 GLN 87 HG2 GLN 87 3.162 8.408 -19.692 675 HG3 GLN 87 HG3 GLN 87 4.918 8.411 -19.544 676 HE21 GLN 87 HE21 GLN 87 5.886 6.367 -19.602 677 HE22 GLN 87 HE22 GLN 87 5.087 4.912 -19.264 678 H VAL 88 H VAL 88 7.160 8.690 -15.401 679 HA VAL 88 HA VAL 88 6.018 10.014 -13.157 680 HB VAL 88 HB VAL 88 8.931 9.742 -13.964 681 HG11 VAL 88 HG11 VAL 88 9.186 9.860 -11.391 682 HG12 VAL 88 HG12 VAL 88 7.564 10.552 -11.399 683 HG13 VAL 88 HG13 VAL 88 8.874 11.366 -12.253 684 HG21 VAL 88 HG21 VAL 88 7.371 7.599 -13.622 685 HG22 VAL 88 HG22 VAL 88 7.568 7.977 -11.918 686 HG23 VAL 88 HG23 VAL 88 8.982 7.659 -12.928 687 H GLN 89 H GLN 89 6.360 12.128 -12.395 688 HA GLN 89 HA GLN 89 7.353 14.127 -14.263 689 HB2 GLN 89 HB2 GLN 89 5.009 15.423 -13.579 690 HB3 GLN 89 HB3 GLN 89 5.310 14.630 -15.112 691 HG2 GLN 89 HG2 GLN 89 3.224 13.765 -14.431 692 HG3 GLN 89 HG3 GLN 89 4.322 12.494 -13.929 693 HE21 GLN 89 HE21 GLN 89 5.300 13.189 -11.536 694 HE22 GLN 89 HE22 GLN 89 4.071 13.563 -10.430 695 HA PRO 90 HA PRO 90 8.889 16.724 -11.093 696 HB2 PRO 90 HB2 PRO 90 6.792 18.791 -11.630 697 HB3 PRO 90 HB3 PRO 90 8.553 18.979 -11.467 698 HG2 PRO 90 HG2 PRO 90 7.504 19.022 -13.851 699 HG3 PRO 90 HG3 PRO 90 8.971 18.062 -13.568 700 HD2 PRO 90 HD2 PRO 90 6.142 17.121 -13.860 701 HD3 PRO 90 HD3 PRO 90 7.639 16.388 -14.490 702 H SER 91 H SER 91 5.299 16.644 -11.022 703 HA SER 91 HA SER 91 5.029 17.404 -8.314 704 HB2 SER 91 HB2 SER 91 2.768 16.491 -8.419 705 HB3 SER 91 HB3 SER 91 3.128 17.388 -9.888 706 HG SER 91 HG SER 91 2.275 15.479 -10.543 707 H ASP 92 H ASP 92 5.773 14.290 -9.807 708 HA ASP 92 HA ASP 92 5.436 12.687 -7.455 709 HB2 ASP 92 HB2 ASP 92 7.087 12.273 -9.960 710 HB3 ASP 92 HB3 ASP 92 7.058 11.119 -8.640 711 H ASP 93 H ASP 93 8.049 14.627 -8.788 712 HA ASP 93 HA ASP 93 10.243 13.848 -7.251 713 HB2 ASP 93 HB2 ASP 93 10.115 15.669 -9.086 714 HB3 ASP 93 HB3 ASP 93 9.601 16.741 -7.797 715 H GLY 94 H GLY 94 10.799 13.964 -5.185 716 HA2 GLY 94 HA2 GLY 94 10.769 15.496 -3.162 717 HA3 GLY 94 HA3 GLY 94 9.013 15.417 -3.326 718 H GLN 95 H GLN 95 8.843 14.512 -1.242 719 HA GLN 95 HA GLN 95 9.749 11.706 -1.016 720 HB2 GLN 95 HB2 GLN 95 9.118 13.686 1.186 721 HB3 GLN 95 HB3 GLN 95 9.571 12.001 1.432 722 HG2 GLN 95 HG2 GLN 95 11.605 13.164 1.698 723 HG3 GLN 95 HG3 GLN 95 11.686 12.573 0.041 724 HE21 GLN 95 HE21 GLN 95 12.784 14.232 -1.059 725 HE22 GLN 95 HE22 GLN 95 12.325 15.866 -1.025 726 H TYR 96 H TYR 96 8.315 10.153 -0.172 727 HA TYR 96 HA TYR 96 5.479 10.994 -0.075 728 HB2 TYR 96 HB2 TYR 96 4.724 9.211 -1.414 729 HB3 TYR 96 HB3 TYR 96 6.258 9.558 -2.198 730 HD1 TYR 96 HD1 TYR 96 4.470 7.341 0.161 731 HD2 TYR 96 HD2 TYR 96 8.024 7.877 -2.183 732 HE1 TYR 96 HE1 TYR 96 5.099 4.996 0.592 733 HE2 TYR 96 HE2 TYR 96 8.646 5.510 -1.743 734 HH TYR 96 HH TYR 96 8.109 3.860 0.146 735 H TRP 97 H TRP 97 4.223 10.126 1.524 736 HA TRP 97 HA TRP 97 5.671 8.809 3.694 737 HB2 TRP 97 HB2 TRP 97 2.924 10.063 3.518 738 HB3 TRP 97 HB3 TRP 97 3.515 9.213 4.946 739 HD1 TRP 97 HD1 TRP 97 3.928 12.428 2.979 740 HE1 TRP 97 HE1 TRP 97 5.419 14.053 4.318 741 HE3 TRP 97 HE3 TRP 97 5.500 9.316 6.711 742 HZ2 TRP 97 HZ2 TRP 97 7.058 14.034 6.656 743 HZ3 TRP 97 HZ3 TRP 97 7.027 10.147 8.482 744 HH2 TRP 97 HH2 TRP 97 7.806 12.502 8.457 745 H CYS 98 H CYS 98 5.664 6.680 3.858 746 HA CYS 98 HA CYS 98 3.713 5.060 2.412 747 HB2 CYS 98 HB2 CYS 98 6.091 4.353 2.397 748 HB3 CYS 98 HB3 CYS 98 6.086 4.272 4.147 749 H ARG 99 H ARG 99 1.791 4.647 3.341 750 HA ARG 99 HA ARG 99 1.602 4.685 6.285 751 HB2 ARG 99 HB2 ARG 99 -0.475 5.136 4.146 752 HB3 ARG 99 HB3 ARG 99 -0.867 4.971 5.852 753 HG2 ARG 99 HG2 ARG 99 0.605 6.895 6.356 754 HG3 ARG 99 HG3 ARG 99 0.924 7.094 4.628 755 HD2 ARG 99 HD2 ARG 99 -1.511 7.406 4.256 756 HD3 ARG 99 HD3 ARG 99 -1.782 7.232 5.983 757 HE ARG 99 HE ARG 99 0.119 9.306 5.464 758 HH11 ARG 99 HH11 ARG 99 -3.326 8.629 5.391 759 HH12 ARG 99 HH12 ARG 99 -3.782 10.288 5.593 760 HH21 ARG 99 HH21 ARG 99 -0.517 11.465 5.704 761 HH22 ARG 99 HH22 ARG 99 -2.197 11.884 5.766 762 H PHE 100 H PHE 100 1.038 2.979 7.429 763 HA PHE 100 HA PHE 100 -0.140 0.642 6.031 764 HB2 PHE 100 HB2 PHE 100 2.193 0.246 6.933 765 HB3 PHE 100 HB3 PHE 100 1.569 0.588 8.544 766 HD1 PHE 100 HD1 PHE 100 1.365 -1.724 5.654 767 HD2 PHE 100 HD2 PHE 100 0.200 -1.007 9.726 768 HE1 PHE 100 HE1 PHE 100 0.581 -4.068 5.842 769 HE2 PHE 100 HE2 PHE 100 -0.582 -3.351 9.912 770 HZ PHE 100 HZ PHE 100 -0.392 -4.882 7.972 771 H GLN 101 H GLN 101 -2.252 0.637 6.506 772 HA GLN 101 HA GLN 101 -3.104 1.622 9.163 773 HB2 GLN 101 HB2 GLN 101 -3.790 3.024 7.252 774 HB3 GLN 101 HB3 GLN 101 -4.631 1.646 6.549 775 HG2 GLN 101 HG2 GLN 101 -6.091 1.524 8.552 776 HG3 GLN 101 HG3 GLN 101 -5.264 2.921 9.236 777 HE21 GLN 101 HE21 GLN 101 -6.436 4.806 8.912 778 HE22 GLN 101 HE22 GLN 101 -7.394 5.138 7.549 779 H GLU 102 H GLU 102 -4.125 0.351 10.485 780 HA GLU 102 HA GLU 102 -5.779 -1.850 9.529 781 HB2 GLU 102 HB2 GLU 102 -3.498 -2.819 10.039 782 HB3 GLU 102 HB3 GLU 102 -3.722 -2.300 11.711 783 HG2 GLU 102 HG2 GLU 102 -5.769 -3.652 11.879 784 HG3 GLU 102 HG3 GLU 102 -5.590 -4.153 10.200 785 H GLY 103 H GLY 103 -7.652 -1.873 10.624 786 HA2 GLY 103 HA2 GLY 103 -9.281 -1.316 12.153 787 HA3 GLY 103 HA3 GLY 103 -8.007 -1.341 13.372 788 H ASP 104 H ASP 104 -8.188 0.504 14.509 789 HA ASP 104 HA ASP 104 -8.726 3.033 13.092 790 HB2 ASP 104 HB2 ASP 104 -9.299 3.956 15.281 791 HB3 ASP 104 HB3 ASP 104 -10.221 2.494 14.963 792 H TYR 105 H TYR 105 -6.011 1.451 13.631 793 HA TYR 105 HA TYR 105 -4.481 3.864 14.406 794 HB2 TYR 105 HB2 TYR 105 -4.511 2.226 16.270 795 HB3 TYR 105 HB3 TYR 105 -3.831 1.006 15.198 796 HD1 TYR 105 HD1 TYR 105 -3.183 4.338 16.738 797 HD2 TYR 105 HD2 TYR 105 -1.478 0.924 14.764 798 HE1 TYR 105 HE1 TYR 105 -0.907 5.180 17.246 799 HE2 TYR 105 HE2 TYR 105 0.799 1.768 15.274 800 HH TYR 105 HH TYR 105 1.649 3.587 17.392 801 H TRP 106 H TRP 106 -2.717 4.367 13.162 802 HA TRP 106 HA TRP 106 -1.677 2.392 11.272 803 HB2 TRP 106 HB2 TRP 106 -1.806 3.946 9.350 804 HB3 TRP 106 HB3 TRP 106 -3.412 3.550 9.971 805 HD1 TRP 106 HD1 TRP 106 -0.991 6.396 9.477 806 HE1 TRP 106 HE1 TRP 106 -2.116 8.617 10.168 807 HE3 TRP 106 HE3 TRP 106 -5.226 4.594 11.690 808 HZ2 TRP 106 HZ2 TRP 106 -4.491 9.504 11.484 809 HZ3 TRP 106 HZ3 TRP 106 -6.899 6.148 12.656 810 HH2 TRP 106 HH2 TRP 106 -6.537 8.598 12.556 811 H ARG 107 H ARG 107 0.353 2.988 10.318 812 HA ARG 107 HA ARG 107 1.857 5.094 11.727 813 HB2 ARG 107 HB2 ARG 107 2.465 2.158 11.540 814 HB3 ARG 107 HB3 ARG 107 3.783 3.307 11.679 815 HG2 ARG 107 HG2 ARG 107 1.430 3.327 13.590 816 HG3 ARG 107 HG3 ARG 107 2.851 2.329 13.885 817 HD2 ARG 107 HD2 ARG 107 2.898 5.340 13.499 818 HD3 ARG 107 HD3 ARG 107 3.001 4.514 15.046 819 HE ARG 107 HE ARG 107 5.030 3.441 13.474 820 HH11 ARG 107 HH11 ARG 107 4.196 6.617 14.720 821 HH12 ARG 107 HH12 ARG 107 5.840 7.163 14.774 822 HH21 ARG 107 HH21 ARG 107 7.164 4.195 13.557 823 HH22 ARG 107 HH22 ARG 107 7.508 5.796 14.120 824 H GLU 108 H GLU 108 3.606 6.012 10.544 825 HA GLU 108 HA GLU 108 4.146 5.006 7.889 826 HB2 GLU 108 HB2 GLU 108 3.355 6.973 6.677 827 HB3 GLU 108 HB3 GLU 108 2.054 6.197 7.578 828 HG2 GLU 108 HG2 GLU 108 2.303 7.847 9.397 829 HG3 GLU 108 HG3 GLU 108 3.581 8.649 8.488 830 H THR 109 H THR 109 5.742 6.141 6.688 831 HA THR 109 HA THR 109 7.305 8.214 7.994 832 HB THR 109 HB THR 109 8.694 5.626 7.253 833 HG1 THR 109 HG1 THR 109 7.434 5.244 9.055 834 HG21 THR 109 HG21 THR 109 10.577 6.650 8.416 835 HG22 THR 109 HG22 THR 109 9.581 8.033 8.862 836 HG23 THR 109 HG23 THR 109 10.002 7.762 7.173 837 H SER 110 H SER 110 8.658 9.374 6.513 838 HA SER 110 HA SER 110 7.727 9.233 3.788 839 HB2 SER 110 HB2 SER 110 8.963 11.278 3.445 840 HB3 SER 110 HB3 SER 110 8.116 11.369 4.987 841 HG SER 110 HG SER 110 10.363 12.017 5.059 842 H VAL 111 H VAL 111 9.052 9.143 1.895 843 HA VAL 111 HA VAL 111 11.614 7.680 2.192 844 HB VAL 111 HB VAL 111 9.494 7.191 0.079 845 HG11 VAL 111 HG11 VAL 111 10.968 5.187 -0.443 846 HG12 VAL 111 HG12 VAL 111 12.189 5.907 0.605 847 HG13 VAL 111 HG13 VAL 111 11.673 6.751 -0.854 848 HG21 VAL 111 HG21 VAL 111 10.321 5.597 2.526 849 HG22 VAL 111 HG22 VAL 111 9.366 4.915 1.211 850 HG23 VAL 111 HG23 VAL 111 8.723 6.249 2.166 851 H LEU 112 H LEU 112 13.239 8.142 0.620 852 HA LEU 112 HA LEU 112 12.948 10.824 -0.532 853 HB2 LEU 112 HB2 LEU 112 15.333 9.005 -0.166 854 HB3 LEU 112 HB3 LEU 112 15.418 10.593 -0.926 855 HG LEU 112 HG LEU 112 14.302 10.162 1.863 856 HD11 LEU 112 HD11 LEU 112 17.079 11.123 1.118 857 HD12 LEU 112 HD12 LEU 112 16.726 9.473 1.632 858 HD13 LEU 112 HD13 LEU 112 16.453 10.817 2.739 859 HD21 LEU 112 HD21 LEU 112 14.939 12.651 1.981 860 HD22 LEU 112 HD22 LEU 112 13.582 12.256 0.927 861 HD23 LEU 112 HD23 LEU 112 15.171 12.572 0.233 862 H LEU 113 H LEU 113 11.996 10.861 -2.511 863 HA LEU 113 HA LEU 113 13.278 9.252 -4.633 864 HB2 LEU 113 HB2 LEU 113 10.271 9.692 -4.503 865 HB3 LEU 113 HB3 LEU 113 11.159 8.723 -5.681 866 HG LEU 113 HG LEU 113 11.069 8.102 -2.698 867 HD11 LEU 113 HD11 LEU 113 9.481 6.390 -3.217 868 HD12 LEU 113 HD12 LEU 113 9.652 6.671 -4.942 869 HD13 LEU 113 HD13 LEU 113 8.870 7.884 -3.926 870 HD21 LEU 113 HD21 LEU 113 11.876 6.261 -4.979 871 HD22 LEU 113 HD22 LEU 113 12.160 6.042 -3.254 872 HD23 LEU 113 HD23 LEU 113 13.059 7.264 -4.142 873 H GLN 114 H GLN 114 14.375 10.869 -5.608 874 HA GLN 114 HA GLN 114 12.866 13.286 -6.417 875 HB2 GLN 114 HB2 GLN 114 15.860 12.869 -6.144 876 HB3 GLN 114 HB3 GLN 114 15.104 14.338 -6.761 877 HG2 GLN 114 HG2 GLN 114 15.482 14.793 -4.471 878 HG3 GLN 114 HG3 GLN 114 13.773 14.369 -4.548 879 HE21 GLN 114 HE21 GLN 114 13.158 12.877 -3.019 880 HE22 GLN 114 HE22 GLN 114 14.179 11.733 -2.288 881 H VAL 115 H VAL 115 12.432 13.575 -8.506 882 HA VAL 115 HA VAL 115 13.620 11.666 -10.421 883 HB VAL 115 HB VAL 115 11.610 12.123 -11.822 884 HG11 VAL 115 HG11 VAL 115 11.363 11.133 -8.981 885 HG12 VAL 115 HG12 VAL 115 11.290 10.226 -10.486 886 HG13 VAL 115 HG13 VAL 115 9.923 11.215 -9.988 887 HG21 VAL 115 HG21 VAL 115 11.295 14.478 -10.821 888 HG22 VAL 115 HG22 VAL 115 10.535 13.665 -9.455 889 HG23 VAL 115 HG23 VAL 115 9.833 13.523 -11.065 890 H ALA 116 H ALA 116 14.627 12.288 -12.251 891 HA ALA 116 HA ALA 116 15.755 14.906 -12.332 892 HB1 ALA 116 HB1 ALA 116 16.316 13.890 -14.804 893 HB2 ALA 116 HB2 ALA 116 15.991 12.413 -13.897 894 HB3 ALA 116 HB3 ALA 116 17.239 13.525 -13.347 895 H ALA 117 H ALA 117 15.356 16.624 -13.683 896 HA ALA 117 HA ALA 117 12.702 16.640 -14.938 897 HB1 ALA 117 HB1 ALA 117 14.477 19.036 -14.498 898 HB2 ALA 117 HB2 ALA 117 13.435 18.395 -13.228 899 HB3 ALA 117 HB3 ALA 117 12.729 18.997 -14.729 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 3.992 -6.353 17.222 2 H2 MET 1 HT2 MET 1 4.109 -7.520 18.453 3 H3 MET 1 HT3 MET 1 4.673 -5.939 18.719 4 HA MET 1 HA MET 1 1.941 -6.978 18.725 5 HB2 MET 1 HB2 MET 1 3.383 -4.767 20.235 6 HB3 MET 1 HB3 MET 1 1.736 -5.308 20.556 7 HG2 MET 1 HG2 MET 1 2.546 -7.549 21.116 8 HG3 MET 1 HG3 MET 1 4.198 -7.072 20.719 9 HE1 MET 1 HE1 MET 1 4.240 -7.511 24.554 10 HE2 MET 1 HE2 MET 1 5.268 -7.643 23.131 11 HE3 MET 1 HE3 MET 1 3.704 -8.450 23.152 12 H ASP 2 H ASP 2 3.523 -3.790 18.362 13 HA ASP 2 HA ASP 2 1.205 -2.719 16.975 14 HB2 ASP 2 HB2 ASP 2 2.360 -0.588 17.086 15 HB3 ASP 2 HB3 ASP 2 2.446 -1.372 18.657 16 H PHE 3 H PHE 3 1.964 -1.129 15.042 17 HA PHE 3 HA PHE 3 3.614 -2.733 13.181 18 HB2 PHE 3 HB2 PHE 3 1.043 -1.255 12.558 19 HB3 PHE 3 HB3 PHE 3 2.094 -2.000 11.356 20 HD1 PHE 3 HD1 PHE 3 -0.380 -2.589 13.988 21 HD2 PHE 3 HD2 PHE 3 2.383 -4.464 11.287 22 HE1 PHE 3 HE1 PHE 3 -1.489 -4.773 14.371 23 HE2 PHE 3 HE2 PHE 3 1.274 -6.650 11.670 24 HZ PHE 3 HZ PHE 3 -0.661 -6.804 13.213 25 H ARG 4 H ARG 4 4.968 -1.610 11.823 26 HA ARG 4 HA ARG 4 4.957 1.316 11.983 27 HB2 ARG 4 HB2 ARG 4 6.512 0.490 13.749 28 HB3 ARG 4 HB3 ARG 4 7.463 -0.305 12.493 29 HG2 ARG 4 HG2 ARG 4 7.850 1.862 11.385 30 HG3 ARG 4 HG3 ARG 4 6.860 2.669 12.597 31 HD2 ARG 4 HD2 ARG 4 9.166 2.970 13.154 32 HD3 ARG 4 HD3 ARG 4 8.449 1.898 14.348 33 HE ARG 4 HE ARG 4 10.301 1.103 12.169 34 HH11 ARG 4 HH11 ARG 4 8.594 0.212 15.134 35 HH12 ARG 4 HH12 ARG 4 9.529 -1.221 15.362 36 HH21 ARG 4 HH21 ARG 4 11.495 -0.768 12.549 37 HH22 ARG 4 HH22 ARG 4 11.152 -1.773 13.917 38 H VAL 5 H VAL 5 5.844 2.377 10.308 39 HA VAL 5 HA VAL 5 6.503 0.798 7.904 40 HB VAL 5 HB VAL 5 5.318 3.574 8.164 41 HG11 VAL 5 HG11 VAL 5 4.930 3.160 5.607 42 HG12 VAL 5 HG12 VAL 5 6.162 1.912 5.774 43 HG13 VAL 5 HG13 VAL 5 6.556 3.592 6.134 44 HG21 VAL 5 HG21 VAL 5 3.313 2.439 7.049 45 HG22 VAL 5 HG22 VAL 5 3.623 1.943 8.712 46 HG23 VAL 5 HG23 VAL 5 4.109 0.898 7.376 47 H VAL 6 H VAL 6 8.508 1.097 7.058 48 HA VAL 6 HA VAL 6 10.234 3.121 8.330 49 HB VAL 6 HB VAL 6 11.002 0.718 6.635 50 HG11 VAL 6 HG11 VAL 6 12.617 2.655 6.586 51 HG12 VAL 6 HG12 VAL 6 13.291 1.188 7.299 52 HG13 VAL 6 HG13 VAL 6 12.762 2.509 8.338 53 HG21 VAL 6 HG21 VAL 6 11.068 1.197 9.635 54 HG22 VAL 6 HG22 VAL 6 11.838 -0.175 8.835 55 HG23 VAL 6 HG23 VAL 6 10.085 0.007 8.782 56 H GLY 7 H GLY 7 10.574 4.936 7.326 57 HA2 GLY 7 HA2 GLY 7 10.019 5.209 4.456 58 HA3 GLY 7 HA3 GLY 7 10.159 6.507 5.633 59 HA PRO 8 HA PRO 8 14.557 7.256 5.024 60 HB2 PRO 8 HB2 PRO 8 15.469 5.182 6.984 61 HB3 PRO 8 HB3 PRO 8 16.007 6.863 6.788 62 HG2 PRO 8 HG2 PRO 8 14.398 6.243 8.759 63 HG3 PRO 8 HG3 PRO 8 14.128 7.730 7.827 64 HD2 PRO 8 HD2 PRO 8 12.603 5.155 7.725 65 HD3 PRO 8 HD3 PRO 8 12.023 6.827 7.529 66 H ASN 9 H ASN 9 15.126 6.573 3.069 67 HA ASN 9 HA ASN 9 16.222 3.893 2.697 68 HB2 ASN 9 HB2 ASN 9 14.007 5.020 0.970 69 HB3 ASN 9 HB3 ASN 9 14.922 3.557 0.619 70 HD21 ASN 9 HD21 ASN 9 11.955 4.233 1.548 71 HD22 ASN 9 HD22 ASN 9 11.687 3.063 2.748 72 H LEU 10 H LEU 10 17.201 3.733 0.468 73 HA LEU 10 HA LEU 10 18.943 5.954 0.050 74 HB2 LEU 10 HB2 LEU 10 18.505 3.444 -1.599 75 HB3 LEU 10 HB3 LEU 10 19.809 4.601 -1.860 76 HG LEU 10 HG LEU 10 19.369 3.182 0.789 77 HD11 LEU 10 HD11 LEU 10 21.159 1.657 0.125 78 HD12 LEU 10 HD12 LEU 10 21.308 2.470 -1.434 79 HD13 LEU 10 HD13 LEU 10 19.845 1.563 -1.047 80 HD21 LEU 10 HD21 LEU 10 21.673 4.760 -0.420 81 HD22 LEU 10 HD22 LEU 10 21.800 3.838 1.077 82 HD23 LEU 10 HD23 LEU 10 20.703 5.214 0.981 83 HA PRO 11 HA PRO 11 16.118 8.341 -2.579 84 HB2 PRO 11 HB2 PRO 11 18.636 9.238 -3.914 85 HB3 PRO 11 HB3 PRO 11 17.286 10.206 -3.279 86 HG2 PRO 11 HG2 PRO 11 19.534 10.099 -1.944 87 HG3 PRO 11 HG3 PRO 11 17.989 9.979 -1.077 88 HD2 PRO 11 HD2 PRO 11 19.928 7.791 -1.767 89 HD3 PRO 11 HD3 PRO 11 18.982 8.034 -0.276 90 H ILE 12 H ILE 12 15.073 7.860 -4.486 91 HA ILE 12 HA ILE 12 16.496 6.056 -6.376 92 HB ILE 12 HB ILE 12 13.474 6.374 -6.034 93 HG12 ILE 12 HG12 ILE 12 15.267 4.012 -5.332 94 HG13 ILE 12 HG13 ILE 12 14.796 5.225 -4.145 95 HG21 ILE 12 HG21 ILE 12 15.200 4.642 -7.827 96 HG22 ILE 12 HG22 ILE 12 13.908 5.743 -8.303 97 HG23 ILE 12 HG23 ILE 12 13.521 4.244 -7.459 98 HD11 ILE 12 HD11 ILE 12 13.261 3.352 -3.964 99 HD12 ILE 12 HD12 ILE 12 12.943 3.390 -5.698 100 HD13 ILE 12 HD13 ILE 12 12.386 4.708 -4.673 101 H LEU 13 H LEU 13 17.101 6.819 -8.234 102 HA LEU 13 HA LEU 13 16.110 9.413 -9.139 103 HB2 LEU 13 HB2 LEU 13 18.663 7.910 -9.442 104 HB3 LEU 13 HB3 LEU 13 18.193 8.916 -10.808 105 HG LEU 13 HG LEU 13 17.872 10.821 -9.133 106 HD11 LEU 13 HD11 LEU 13 19.473 8.950 -7.357 107 HD12 LEU 13 HD12 LEU 13 17.774 9.356 -7.116 108 HD13 LEU 13 HD13 LEU 13 19.008 10.608 -6.975 109 HD21 LEU 13 HD21 LEU 13 19.862 10.585 -10.623 110 HD22 LEU 13 HD22 LEU 13 20.662 9.642 -9.364 111 HD23 LEU 13 HD23 LEU 13 20.271 11.338 -9.080 112 H ALA 14 H ALA 14 14.669 9.560 -10.668 113 HA ALA 14 HA ALA 14 14.686 7.628 -12.885 114 HB1 ALA 14 HB1 ALA 14 12.385 8.362 -11.114 115 HB2 ALA 14 HB2 ALA 14 12.820 6.792 -11.792 116 HB3 ALA 14 HB3 ALA 14 12.083 8.023 -12.818 117 H LYS 15 H LYS 15 14.910 8.675 -14.744 118 HA LYS 15 HA LYS 15 14.801 11.525 -14.905 119 HB2 LYS 15 HB2 LYS 15 16.365 10.073 -16.226 120 HB3 LYS 15 HB3 LYS 15 14.984 9.561 -17.200 121 HG2 LYS 15 HG2 LYS 15 14.590 11.823 -17.962 122 HG3 LYS 15 HG3 LYS 15 15.778 12.470 -16.837 123 HD2 LYS 15 HD2 LYS 15 16.872 12.389 -18.965 124 HD3 LYS 15 HD3 LYS 15 17.516 11.034 -18.041 125 HE2 LYS 15 HE2 LYS 15 15.978 9.493 -19.173 126 HE3 LYS 15 HE3 LYS 15 15.254 10.837 -20.057 127 HZ1 LYS 15 HZ1 LYS 15 16.887 9.714 -21.415 128 HZ2 LYS 15 HZ2 LYS 15 18.083 9.950 -20.230 129 HZ3 LYS 15 HZ3 LYS 15 17.422 11.281 -21.053 130 H VAL 16 H VAL 16 13.305 12.875 -15.762 131 HA VAL 16 HA VAL 16 10.598 12.128 -15.830 132 HB VAL 16 HB VAL 16 12.039 14.559 -16.923 133 HG11 VAL 16 HG11 VAL 16 9.425 15.410 -16.642 134 HG12 VAL 16 HG12 VAL 16 9.218 13.806 -17.333 135 HG13 VAL 16 HG13 VAL 16 10.204 14.993 -18.158 136 HG21 VAL 16 HG21 VAL 16 12.173 14.546 -14.569 137 HG22 VAL 16 HG22 VAL 16 10.534 13.918 -14.393 138 HG23 VAL 16 HG23 VAL 16 10.788 15.583 -14.910 139 H GLY 17 H GLY 17 9.317 11.347 -17.351 140 HA2 GLY 17 HA2 GLY 17 8.625 11.027 -19.669 141 HA3 GLY 17 HA3 GLY 17 10.332 10.994 -20.111 142 H GLU 18 H GLU 18 11.081 9.377 -17.778 143 HA GLU 18 HA GLU 18 10.149 6.725 -18.674 144 HB2 GLU 18 HB2 GLU 18 12.542 7.475 -16.960 145 HB3 GLU 18 HB3 GLU 18 12.118 5.840 -17.466 146 HG2 GLU 18 HG2 GLU 18 12.338 6.537 -19.841 147 HG3 GLU 18 HG3 GLU 18 12.827 8.144 -19.307 148 H ASP 19 H ASP 19 9.835 5.097 -16.873 149 HA ASP 19 HA ASP 19 8.028 6.204 -14.916 150 HB2 ASP 19 HB2 ASP 19 7.671 3.853 -14.241 151 HB3 ASP 19 HB3 ASP 19 7.506 4.079 -15.982 152 H ALA 20 H ALA 20 8.137 5.810 -12.590 153 HA ALA 20 HA ALA 20 10.905 5.699 -11.525 154 HB1 ALA 20 HB1 ALA 20 8.616 7.475 -10.707 155 HB2 ALA 20 HB2 ALA 20 10.257 7.939 -11.158 156 HB3 ALA 20 HB3 ALA 20 9.958 7.131 -9.623 157 H LEU 21 H LEU 21 11.023 5.058 -9.212 158 HA LEU 21 HA LEU 21 8.937 3.052 -8.552 159 HB2 LEU 21 HB2 LEU 21 11.064 2.050 -9.458 160 HB3 LEU 21 HB3 LEU 21 11.914 2.749 -8.086 161 HG LEU 21 HG LEU 21 10.328 1.500 -6.560 162 HD11 LEU 21 HD11 LEU 21 9.217 -0.523 -7.687 163 HD12 LEU 21 HD12 LEU 21 9.478 0.319 -9.214 164 HD13 LEU 21 HD13 LEU 21 8.458 1.045 -7.972 165 HD21 LEU 21 HD21 LEU 21 11.402 -0.761 -7.047 166 HD22 LEU 21 HD22 LEU 21 12.529 0.586 -6.881 167 HD23 LEU 21 HD23 LEU 21 12.111 -0.020 -8.483 168 H LEU 22 H LEU 22 7.987 3.475 -6.668 169 HA LEU 22 HA LEU 22 9.607 4.723 -4.525 170 HB2 LEU 22 HB2 LEU 22 7.592 5.827 -3.695 171 HB3 LEU 22 HB3 LEU 22 7.999 6.324 -5.328 172 HG LEU 22 HG LEU 22 6.285 4.206 -5.865 173 HD11 LEU 22 HD11 LEU 22 5.725 3.877 -3.510 174 HD12 LEU 22 HD12 LEU 22 4.323 4.520 -4.367 175 HD13 LEU 22 HD13 LEU 22 5.296 5.580 -3.350 176 HD21 LEU 22 HD21 LEU 22 4.526 6.025 -6.172 177 HD22 LEU 22 HD22 LEU 22 6.079 6.351 -6.949 178 HD23 LEU 22 HD23 LEU 22 5.674 7.143 -5.427 179 H THR 23 H THR 23 9.723 3.653 -2.664 180 HA THR 23 HA THR 23 7.768 1.552 -2.073 181 HB THR 23 HB THR 23 9.474 0.455 -3.415 182 HG1 THR 23 HG1 THR 23 9.573 -1.195 -2.087 183 HG21 THR 23 HG21 THR 23 11.426 1.763 -3.163 184 HG22 THR 23 HG22 THR 23 11.807 0.255 -2.332 185 HG23 THR 23 HG23 THR 23 11.356 1.685 -1.402 186 H CYS 24 H CYS 24 8.023 0.569 0.005 187 HA CYS 24 HA CYS 24 9.598 1.959 2.025 188 HB2 CYS 24 HB2 CYS 24 7.636 2.309 3.491 189 HB3 CYS 24 HB3 CYS 24 7.466 3.221 1.988 190 H GLN 25 H GLN 25 9.625 0.693 4.083 191 HA GLN 25 HA GLN 25 9.144 -2.180 3.508 192 HB2 GLN 25 HB2 GLN 25 11.175 -0.888 5.337 193 HB3 GLN 25 HB3 GLN 25 10.900 -2.625 5.222 194 HG2 GLN 25 HG2 GLN 25 11.426 -2.553 2.816 195 HG3 GLN 25 HG3 GLN 25 11.711 -0.818 2.930 196 HE21 GLN 25 HE21 GLN 25 13.422 -3.589 2.696 197 HE22 GLN 25 HE22 GLN 25 14.782 -3.191 3.630 198 H LEU 26 H LEU 26 7.524 -3.093 4.494 199 HA LEU 26 HA LEU 26 6.875 -2.300 7.253 200 HB2 LEU 26 HB2 LEU 26 4.467 -2.398 6.736 201 HB3 LEU 26 HB3 LEU 26 5.307 -1.153 5.813 202 HG LEU 26 HG LEU 26 5.532 -3.103 3.985 203 HD11 LEU 26 HD11 LEU 26 4.568 -4.940 5.095 204 HD12 LEU 26 HD12 LEU 26 3.276 -4.390 4.040 205 HD13 LEU 26 HD13 LEU 26 3.250 -3.981 5.757 206 HD21 LEU 26 HD21 LEU 26 3.058 -1.438 4.556 207 HD22 LEU 26 HD22 LEU 26 3.264 -2.357 3.065 208 HD23 LEU 26 HD23 LEU 26 4.385 -1.054 3.458 209 H LEU 27 H LEU 27 5.848 -3.907 8.530 210 HA LEU 27 HA LEU 27 6.300 -6.662 7.544 211 HB2 LEU 27 HB2 LEU 27 7.750 -5.831 9.447 212 HB3 LEU 27 HB3 LEU 27 6.294 -5.710 10.426 213 HG LEU 27 HG LEU 27 7.109 -8.308 9.076 214 HD11 LEU 27 HD11 LEU 27 8.947 -7.638 10.544 215 HD12 LEU 27 HD12 LEU 27 8.051 -8.956 11.299 216 HD13 LEU 27 HD13 LEU 27 7.814 -7.299 11.853 217 HD21 LEU 27 HD21 LEU 27 5.128 -7.488 11.221 218 HD22 LEU 27 HD22 LEU 27 5.740 -9.141 11.187 219 HD23 LEU 27 HD23 LEU 27 4.859 -8.503 9.808 220 HA PRO 28 HA PRO 28 1.717 -6.566 8.222 221 HB2 PRO 28 HB2 PRO 28 1.009 -8.562 6.584 222 HB3 PRO 28 HB3 PRO 28 1.509 -6.979 5.945 223 HG2 PRO 28 HG2 PRO 28 3.088 -9.502 6.168 224 HG3 PRO 28 HG3 PRO 28 2.975 -8.360 4.815 225 HD2 PRO 28 HD2 PRO 28 5.053 -8.349 6.604 226 HD3 PRO 28 HD3 PRO 28 4.506 -6.897 5.737 227 H LYS 29 H LYS 29 0.378 -7.809 9.568 228 HA LYS 29 HA LYS 29 1.555 -9.705 11.314 229 HB2 LYS 29 HB2 LYS 29 -0.432 -8.331 11.908 230 HB3 LYS 29 HB3 LYS 29 -1.392 -9.234 10.738 231 HG2 LYS 29 HG2 LYS 29 -1.042 -11.312 11.986 232 HG3 LYS 29 HG3 LYS 29 0.040 -10.489 13.109 233 HD2 LYS 29 HD2 LYS 29 -2.087 -10.619 14.214 234 HD3 LYS 29 HD3 LYS 29 -1.915 -8.949 13.676 235 HE2 LYS 29 HE2 LYS 29 -3.317 -9.396 11.721 236 HE3 LYS 29 HE3 LYS 29 -3.435 -11.098 12.164 237 HZ1 LYS 29 HZ1 LYS 29 -4.494 -10.416 14.250 238 HZ2 LYS 29 HZ2 LYS 29 -5.384 -9.913 12.893 239 HZ3 LYS 29 HZ3 LYS 29 -4.435 -8.797 13.753 240 H ARG 30 H ARG 30 -0.635 -10.037 8.553 241 HA ARG 30 HA ARG 30 0.512 -12.436 7.611 242 HB2 ARG 30 HB2 ARG 30 -0.703 -13.327 9.638 243 HB3 ARG 30 HB3 ARG 30 -2.212 -12.828 8.870 244 HG2 ARG 30 HG2 ARG 30 -1.651 -14.242 6.899 245 HG3 ARG 30 HG3 ARG 30 -0.193 -14.785 7.728 246 HD2 ARG 30 HD2 ARG 30 -3.017 -15.149 8.768 247 HD3 ARG 30 HD3 ARG 30 -2.061 -16.399 7.979 248 HE ARG 30 HE ARG 30 -1.722 -15.397 10.696 249 HH11 ARG 30 HH11 ARG 30 -0.250 -17.194 8.057 250 HH12 ARG 30 HH12 ARG 30 0.873 -18.019 9.085 251 HH21 ARG 30 HH21 ARG 30 -0.236 -16.494 11.999 252 HH22 ARG 30 HH22 ARG 30 0.878 -17.623 11.305 253 H THR 31 H THR 31 0.100 -12.490 5.472 254 HA THR 31 HA THR 31 -0.715 -11.820 3.432 255 HB THR 31 HB THR 31 -3.554 -11.962 4.354 256 HG1 THR 31 HG1 THR 31 -3.267 -13.670 5.500 257 HG21 THR 31 HG21 THR 31 -3.907 -13.043 2.341 258 HG22 THR 31 HG22 THR 31 -2.340 -13.844 2.370 259 HG23 THR 31 HG23 THR 31 -2.450 -12.147 1.913 260 H THR 32 H THR 32 -2.847 -10.361 2.537 261 HA THR 32 HA THR 32 -2.855 -7.848 4.071 262 HB THR 32 HB THR 32 -1.108 -7.556 2.387 263 HG1 THR 32 HG1 THR 32 -1.900 -5.685 1.580 264 HG21 THR 32 HG21 THR 32 -1.857 -7.562 -0.060 265 HG22 THR 32 HG22 THR 32 -3.275 -8.460 0.483 266 HG23 THR 32 HG23 THR 32 -1.662 -9.141 0.702 267 H ALA 33 H ALA 33 -4.855 -9.941 3.719 268 HA ALA 33 HA ALA 33 -6.891 -9.193 1.902 269 HB1 ALA 33 HB1 ALA 33 -6.786 -11.402 2.990 270 HB2 ALA 33 HB2 ALA 33 -8.348 -10.623 3.242 271 HB3 ALA 33 HB3 ALA 33 -7.153 -10.647 4.540 272 H HIS 34 H HIS 34 -6.248 -8.298 5.265 273 HA HIS 34 HA HIS 34 -8.458 -6.325 5.144 274 HB2 HIS 34 HB2 HIS 34 -7.182 -7.620 7.564 275 HB3 HIS 34 HB3 HIS 34 -8.449 -6.393 7.616 276 HD2 HIS 34 HD2 HIS 34 -8.166 -10.196 7.380 277 HE1 HIS 34 HE1 HIS 34 -12.079 -9.254 6.103 278 HE2 HIS 34 HE2 HIS 34 -10.530 -11.142 6.800 279 H MET 35 H MET 35 -5.420 -6.177 4.384 280 HA MET 35 HA MET 35 -4.654 -3.916 6.103 281 HB2 MET 35 HB2 MET 35 -3.117 -5.786 4.315 282 HB3 MET 35 HB3 MET 35 -2.432 -4.228 4.770 283 HG2 MET 35 HG2 MET 35 -1.647 -5.790 6.410 284 HG3 MET 35 HG3 MET 35 -2.922 -4.862 7.197 285 HE1 MET 35 HE1 MET 35 -1.693 -7.292 8.148 286 HE2 MET 35 HE2 MET 35 -2.760 -8.680 8.331 287 HE3 MET 35 HE3 MET 35 -3.183 -7.151 9.094 288 H GLU 36 H GLU 36 -4.018 -1.936 5.270 289 HA GLU 36 HA GLU 36 -4.708 -1.396 2.447 290 HB2 GLU 36 HB2 GLU 36 -5.414 0.242 4.890 291 HB3 GLU 36 HB3 GLU 36 -5.518 0.857 3.240 292 HG2 GLU 36 HG2 GLU 36 -7.086 -0.916 2.652 293 HG3 GLU 36 HG3 GLU 36 -6.965 -1.599 4.275 294 H VAL 37 H VAL 37 -3.212 -0.280 1.350 295 HA VAL 37 HA VAL 37 -1.040 1.043 2.859 296 HB VAL 37 HB VAL 37 -0.736 -0.592 0.314 297 HG11 VAL 37 HG11 VAL 37 1.324 0.853 2.010 298 HG12 VAL 37 HG12 VAL 37 0.830 1.294 0.374 299 HG13 VAL 37 HG13 VAL 37 1.694 -0.217 0.657 300 HG21 VAL 37 HG21 VAL 37 0.629 -2.096 1.777 301 HG22 VAL 37 HG22 VAL 37 -1.059 -2.026 2.282 302 HG23 VAL 37 HG23 VAL 37 0.165 -1.119 3.171 303 H ARG 38 H ARG 38 -0.712 3.132 2.316 304 HA ARG 38 HA ARG 38 -1.832 4.079 -0.271 305 HB2 ARG 38 HB2 ARG 38 -1.939 5.505 2.396 306 HB3 ARG 38 HB3 ARG 38 -2.438 6.202 0.853 307 HG2 ARG 38 HG2 ARG 38 -3.983 4.125 0.641 308 HG3 ARG 38 HG3 ARG 38 -3.682 3.897 2.361 309 HD2 ARG 38 HD2 ARG 38 -4.781 6.433 1.119 310 HD3 ARG 38 HD3 ARG 38 -5.749 5.208 1.932 311 HE ARG 38 HE ARG 38 -3.669 6.068 3.661 312 HH11 ARG 38 HH11 ARG 38 -6.692 7.228 2.294 313 HH12 ARG 38 HH12 ARG 38 -7.014 8.305 3.612 314 HH21 ARG 38 HH21 ARG 38 -4.129 7.491 5.358 315 HH22 ARG 38 HH22 ARG 38 -5.570 8.451 5.333 316 H TRP 39 H TRP 39 -0.771 5.636 -1.392 317 HA TRP 39 HA TRP 39 1.862 6.523 -0.379 318 HB2 TRP 39 HB2 TRP 39 1.172 5.719 -3.220 319 HB3 TRP 39 HB3 TRP 39 2.694 6.452 -2.718 320 HD1 TRP 39 HD1 TRP 39 4.332 4.989 -1.194 321 HE1 TRP 39 HE1 TRP 39 4.522 2.437 -0.872 322 HE3 TRP 39 HE3 TRP 39 -0.158 3.514 -3.132 323 HZ2 TRP 39 HZ2 TRP 39 2.980 0.096 -1.373 324 HZ3 TRP 39 HZ3 TRP 39 -0.769 1.112 -3.201 325 HH2 TRP 39 HH2 TRP 39 0.798 -0.600 -2.324 326 H TYR 40 H TYR 40 2.460 8.646 -0.917 327 HA TYR 40 HA TYR 40 0.307 10.290 -2.134 328 HB2 TYR 40 HB2 TYR 40 1.999 10.986 0.275 329 HB3 TYR 40 HB3 TYR 40 0.834 12.056 -0.499 330 HD1 TYR 40 HD1 TYR 40 1.280 9.063 1.581 331 HD2 TYR 40 HD2 TYR 40 -1.592 11.620 -0.329 332 HE1 TYR 40 HE1 TYR 40 -0.524 8.054 2.944 333 HE2 TYR 40 HE2 TYR 40 -3.395 10.610 1.035 334 HH TYR 40 HH TYR 40 -3.280 9.312 3.552 335 H ARG 41 H ARG 41 0.888 11.773 -3.557 336 HA ARG 41 HA ARG 41 3.679 11.995 -4.387 337 HB2 ARG 41 HB2 ARG 41 1.815 11.665 -6.053 338 HB3 ARG 41 HB3 ARG 41 1.203 13.256 -5.604 339 HG2 ARG 41 HG2 ARG 41 3.297 14.298 -6.314 340 HG3 ARG 41 HG3 ARG 41 3.978 12.717 -6.695 341 HD2 ARG 41 HD2 ARG 41 1.510 13.899 -7.999 342 HD3 ARG 41 HD3 ARG 41 3.114 13.876 -8.721 343 HE ARG 41 HE ARG 41 2.529 11.233 -8.053 344 HH11 ARG 41 HH11 ARG 41 1.156 13.684 -10.161 345 HH12 ARG 41 HH12 ARG 41 0.514 12.532 -11.285 346 HH21 ARG 41 HH21 ARG 41 1.660 9.764 -9.536 347 HH22 ARG 41 HH22 ARG 41 0.801 10.329 -10.933 348 H SER 42 H SER 42 4.337 13.114 -2.408 349 HA SER 42 HA SER 42 4.802 14.952 -1.111 350 HB2 SER 42 HB2 SER 42 4.260 16.410 -3.707 351 HB3 SER 42 HB3 SER 42 5.105 17.072 -2.312 352 HG SER 42 HG SER 42 6.739 15.617 -2.633 353 H ASP 43 H ASP 43 1.861 14.103 -1.595 354 HA ASP 43 HA ASP 43 0.638 16.460 -0.333 355 HB2 ASP 43 HB2 ASP 43 -0.636 14.760 -2.503 356 HB3 ASP 43 HB3 ASP 43 -1.436 16.060 -1.622 357 HA PRO 44 HA PRO 44 0.190 12.604 2.292 358 HB2 PRO 44 HB2 PRO 44 -0.228 13.986 4.652 359 HB3 PRO 44 HB3 PRO 44 1.362 13.494 4.033 360 HG2 PRO 44 HG2 PRO 44 -0.006 16.135 3.833 361 HG3 PRO 44 HG3 PRO 44 1.695 15.767 4.176 362 HD2 PRO 44 HD2 PRO 44 0.948 16.592 1.739 363 HD3 PRO 44 HD3 PRO 44 2.204 15.345 1.932 364 H ASP 45 H ASP 45 -1.871 15.444 2.005 365 HA ASP 45 HA ASP 45 -4.179 14.058 3.165 366 HB2 ASP 45 HB2 ASP 45 -5.346 16.179 2.948 367 HB3 ASP 45 HB3 ASP 45 -3.793 16.422 3.734 368 H MET 46 H MET 46 -2.767 13.928 0.189 369 HA MET 46 HA MET 46 -5.346 13.387 -1.139 370 HB2 MET 46 HB2 MET 46 -4.454 15.620 -1.858 371 HB3 MET 46 HB3 MET 46 -3.025 14.799 -2.483 372 HG2 MET 46 HG2 MET 46 -4.502 15.057 -4.343 373 HG3 MET 46 HG3 MET 46 -4.600 13.363 -3.873 374 HE1 MET 46 HE1 MET 46 -6.402 12.363 -4.237 375 HE2 MET 46 HE2 MET 46 -8.090 12.817 -4.039 376 HE3 MET 46 HE3 MET 46 -7.152 12.326 -2.634 377 HA PRO 47 HA PRO 47 -2.547 9.678 -1.640 378 HB2 PRO 47 HB2 PRO 47 -4.523 7.815 -1.793 379 HB3 PRO 47 HB3 PRO 47 -3.899 8.431 -0.249 380 HG2 PRO 47 HG2 PRO 47 -6.364 9.225 -1.736 381 HG3 PRO 47 HG3 PRO 47 -6.148 8.912 -0.002 382 HD2 PRO 47 HD2 PRO 47 -6.224 11.430 -0.979 383 HD3 PRO 47 HD3 PRO 47 -5.191 10.995 0.403 384 H VAL 48 H VAL 48 -1.870 8.857 -3.572 385 HA VAL 48 HA VAL 48 -3.323 9.604 -5.978 386 HB VAL 48 HB VAL 48 -0.886 10.030 -5.765 387 HG11 VAL 48 HG11 VAL 48 -0.495 7.052 -6.074 388 HG12 VAL 48 HG12 VAL 48 -0.442 7.854 -4.504 389 HG13 VAL 48 HG13 VAL 48 0.728 8.282 -5.754 390 HG21 VAL 48 HG21 VAL 48 -1.812 9.888 -7.989 391 HG22 VAL 48 HG22 VAL 48 -1.765 8.123 -7.949 392 HG23 VAL 48 HG23 VAL 48 -0.261 9.048 -7.992 393 H ILE 49 H ILE 49 -2.141 6.622 -4.449 394 HA ILE 49 HA ILE 49 -4.299 5.080 -5.582 395 HB ILE 49 HB ILE 49 -2.507 5.177 -7.406 396 HG12 ILE 49 HG12 ILE 49 -2.580 2.676 -7.835 397 HG13 ILE 49 HG13 ILE 49 -3.373 2.491 -6.266 398 HG21 ILE 49 HG21 ILE 49 -0.501 3.882 -7.186 399 HG22 ILE 49 HG22 ILE 49 -0.989 3.283 -5.603 400 HG23 ILE 49 HG23 ILE 49 -0.569 4.981 -5.809 401 HD11 ILE 49 HD11 ILE 49 -5.246 3.839 -6.984 402 HD12 ILE 49 HD12 ILE 49 -4.948 2.646 -8.248 403 HD13 ILE 49 HD13 ILE 49 -4.407 4.309 -8.462 404 H MET 50 H MET 50 -4.547 2.987 -4.516 405 HA MET 50 HA MET 50 -2.737 2.525 -2.242 406 HB2 MET 50 HB2 MET 50 -4.605 2.350 -0.661 407 HB3 MET 50 HB3 MET 50 -4.497 3.959 -1.371 408 HG2 MET 50 HG2 MET 50 -6.272 3.346 -2.998 409 HG3 MET 50 HG3 MET 50 -6.412 1.766 -2.224 410 HE1 MET 50 HE1 MET 50 -9.065 4.081 -2.314 411 HE2 MET 50 HE2 MET 50 -9.626 3.062 -0.993 412 HE3 MET 50 HE3 MET 50 -8.731 2.342 -2.326 413 H TYR 51 H TYR 51 -2.809 0.507 -1.260 414 HA TYR 51 HA TYR 51 -3.808 -1.667 -2.984 415 HB2 TYR 51 HB2 TYR 51 -1.261 -1.243 -2.306 416 HB3 TYR 51 HB3 TYR 51 -1.748 -2.028 -0.820 417 HD1 TYR 51 HD1 TYR 51 0.306 -3.427 -1.871 418 HD2 TYR 51 HD2 TYR 51 -3.727 -3.569 -3.386 419 HE1 TYR 51 HE1 TYR 51 0.761 -5.626 -2.908 420 HE2 TYR 51 HE2 TYR 51 -3.244 -5.771 -4.415 421 HH TYR 51 HH TYR 51 -1.140 -7.741 -3.644 422 H ARG 52 H ARG 52 -5.640 -2.607 -2.186 423 HA ARG 52 HA ARG 52 -5.834 -3.054 0.728 424 HB2 ARG 52 HB2 ARG 52 -7.228 -1.100 0.167 425 HB3 ARG 52 HB3 ARG 52 -8.110 -2.062 -1.020 426 HG2 ARG 52 HG2 ARG 52 -8.865 -3.588 0.774 427 HG3 ARG 52 HG3 ARG 52 -7.981 -2.645 1.968 428 HD2 ARG 52 HD2 ARG 52 -10.291 -1.957 2.028 429 HD3 ARG 52 HD3 ARG 52 -9.363 -0.649 1.316 430 HE ARG 52 HE ARG 52 -11.120 -2.532 -0.157 431 HH11 ARG 52 HH11 ARG 52 -9.280 0.487 -0.143 432 HH12 ARG 52 HH12 ARG 52 -9.973 1.026 -1.628 433 HH21 ARG 52 HH21 ARG 52 -11.971 -1.756 -2.091 434 HH22 ARG 52 HH22 ARG 52 -11.470 -0.222 -2.721 435 H ASP 53 H ASP 53 -6.508 -4.999 1.353 436 HA ASP 53 HA ASP 53 -7.070 -7.222 1.241 437 HB2 ASP 53 HB2 ASP 53 -9.275 -6.142 0.772 438 HB3 ASP 53 HB3 ASP 53 -8.946 -6.311 -0.951 439 H GLY 54 H GLY 54 -4.783 -6.534 -0.226 440 HA2 GLY 54 HA2 GLY 54 -3.277 -7.582 -1.629 441 HA3 GLY 54 HA3 GLY 54 -4.450 -8.885 -1.794 442 H ALA 55 H ALA 55 -5.609 -5.738 -2.645 443 HA ALA 55 HA ALA 55 -4.926 -6.033 -5.480 444 HB1 ALA 55 HB1 ALA 55 -7.146 -6.114 -6.273 445 HB2 ALA 55 HB2 ALA 55 -7.813 -5.702 -4.694 446 HB3 ALA 55 HB3 ALA 55 -7.098 -7.292 -4.961 447 H GLU 56 H GLU 56 -5.045 -4.133 -6.675 448 HA GLU 56 HA GLU 56 -4.789 -1.686 -5.244 449 HB2 GLU 56 HB2 GLU 56 -4.691 -0.631 -7.490 450 HB3 GLU 56 HB3 GLU 56 -3.610 -2.016 -7.363 451 HG2 GLU 56 HG2 GLU 56 -5.323 -3.437 -8.473 452 HG3 GLU 56 HG3 GLU 56 -6.369 -2.029 -8.639 453 H VAL 57 H VAL 57 -6.146 0.189 -5.318 454 HA VAL 57 HA VAL 57 -8.852 -0.291 -4.790 455 HB VAL 57 HB VAL 57 -7.648 1.724 -4.016 456 HG11 VAL 57 HG11 VAL 57 -7.070 3.531 -5.479 457 HG12 VAL 57 HG12 VAL 57 -7.891 2.772 -6.844 458 HG13 VAL 57 HG13 VAL 57 -6.410 2.062 -6.200 459 HG21 VAL 57 HG21 VAL 57 -10.082 1.854 -4.024 460 HG22 VAL 57 HG22 VAL 57 -10.096 2.259 -5.740 461 HG23 VAL 57 HG23 VAL 57 -9.451 3.410 -4.569 462 H THR 58 H THR 58 -10.518 -0.765 -6.053 463 HA THR 58 HA THR 58 -11.764 -1.196 -7.935 464 HB THR 58 HB THR 58 -10.757 1.438 -8.996 465 HG1 THR 58 HG1 THR 58 -11.438 2.291 -7.218 466 HG21 THR 58 HG21 THR 58 -13.415 -0.006 -9.087 467 HG22 THR 58 HG22 THR 58 -12.297 0.227 -10.430 468 HG23 THR 58 HG23 THR 58 -13.135 1.612 -9.732 469 H GLY 59 H GLY 59 -10.705 -2.929 -8.862 470 HA2 GLY 59 HA2 GLY 59 -8.288 -2.855 -10.288 471 HA3 GLY 59 HA3 GLY 59 -9.528 -4.093 -10.471 472 H LEU 60 H LEU 60 -11.645 -2.646 -11.433 473 HA LEU 60 HA LEU 60 -12.586 -1.860 -13.347 474 HB2 LEU 60 HB2 LEU 60 -11.132 0.136 -12.468 475 HB3 LEU 60 HB3 LEU 60 -10.122 -0.222 -13.863 476 HG LEU 60 HG LEU 60 -12.158 -0.016 -15.327 477 HD11 LEU 60 HD11 LEU 60 -13.409 0.753 -12.685 478 HD12 LEU 60 HD12 LEU 60 -14.003 -0.394 -13.885 479 HD13 LEU 60 HD13 LEU 60 -14.079 1.338 -14.209 480 HD21 LEU 60 HD21 LEU 60 -12.333 2.510 -15.050 481 HD22 LEU 60 HD22 LEU 60 -10.695 1.882 -15.221 482 HD23 LEU 60 HD23 LEU 60 -11.302 2.342 -13.629 483 HA PRO 61 HA PRO 61 -11.085 -4.481 -16.778 484 HB2 PRO 61 HB2 PRO 61 -12.523 -2.417 -18.414 485 HB3 PRO 61 HB3 PRO 61 -12.593 -4.190 -18.529 486 HG2 PRO 61 HG2 PRO 61 -14.579 -2.930 -17.411 487 HG3 PRO 61 HG3 PRO 61 -13.926 -4.381 -16.623 488 HD2 PRO 61 HD2 PRO 61 -13.502 -1.503 -15.887 489 HD3 PRO 61 HD3 PRO 61 -13.760 -2.909 -14.824 490 H MET 62 H MET 62 -10.966 -0.935 -16.942 491 HA MET 62 HA MET 62 -8.221 -1.066 -17.964 492 HB2 MET 62 HB2 MET 62 -8.685 0.867 -19.513 493 HB3 MET 62 HB3 MET 62 -9.474 -0.634 -19.983 494 HG2 MET 62 HG2 MET 62 -11.570 0.170 -18.869 495 HG3 MET 62 HG3 MET 62 -10.781 1.710 -18.548 496 HE1 MET 62 HE1 MET 62 -12.146 -0.789 -20.887 497 HE2 MET 62 HE2 MET 62 -10.646 -0.705 -21.804 498 HE3 MET 62 HE3 MET 62 -12.133 -0.081 -22.511 499 H GLU 63 H GLU 63 -7.994 -0.734 -15.617 500 HA GLU 63 HA GLU 63 -8.779 1.357 -14.068 501 HB2 GLU 63 HB2 GLU 63 -6.573 1.180 -12.875 502 HB3 GLU 63 HB3 GLU 63 -7.436 -0.338 -13.070 503 HG2 GLU 63 HG2 GLU 63 -5.494 0.337 -15.249 504 HG3 GLU 63 HG3 GLU 63 -4.819 -0.017 -13.671 505 H GLY 64 H GLY 64 -8.915 3.395 -14.507 506 HA2 GLY 64 HA2 GLY 64 -7.245 4.889 -16.270 507 HA3 GLY 64 HA3 GLY 64 -8.408 5.560 -15.131 508 H TYR 65 H TYR 65 -7.374 4.510 -12.742 509 HA TYR 65 HA TYR 65 -5.029 6.239 -12.377 510 HB2 TYR 65 HB2 TYR 65 -6.801 4.845 -10.357 511 HB3 TYR 65 HB3 TYR 65 -5.469 5.929 -9.959 512 HD1 TYR 65 HD1 TYR 65 -8.885 5.695 -11.289 513 HD2 TYR 65 HD2 TYR 65 -5.607 8.340 -10.445 514 HE1 TYR 65 HE1 TYR 65 -10.393 7.648 -11.548 515 HE2 TYR 65 HE2 TYR 65 -7.114 10.291 -10.705 516 HH TYR 65 HH TYR 65 -9.986 10.444 -10.413 517 H GLY 66 H GLY 66 -6.038 2.882 -11.981 518 HA2 GLY 66 HA2 GLY 66 -3.740 1.854 -10.721 519 HA3 GLY 66 HA3 GLY 66 -4.864 0.921 -11.702 520 H GLY 67 H GLY 67 -4.535 2.389 -14.123 521 HA2 GLY 67 HA2 GLY 67 -2.418 0.998 -15.304 522 HA3 GLY 67 HA3 GLY 67 -3.263 2.362 -16.029 523 H ARG 68 H ARG 68 -2.627 4.362 -14.126 524 HA ARG 68 HA ARG 68 -0.068 5.178 -15.049 525 HB2 ARG 68 HB2 ARG 68 -1.776 6.225 -12.798 526 HB3 ARG 68 HB3 ARG 68 -0.303 7.002 -13.360 527 HG2 ARG 68 HG2 ARG 68 -1.228 7.260 -15.604 528 HG3 ARG 68 HG3 ARG 68 -2.696 6.407 -15.124 529 HD2 ARG 68 HD2 ARG 68 -3.117 8.803 -15.058 530 HD3 ARG 68 HD3 ARG 68 -3.120 8.168 -13.416 531 HE ARG 68 HE ARG 68 -0.510 9.083 -14.135 532 HH11 ARG 68 HH11 ARG 68 -3.672 10.282 -13.179 533 HH12 ARG 68 HH12 ARG 68 -3.045 11.751 -12.511 534 HH21 ARG 68 HH21 ARG 68 0.263 11.014 -13.261 535 HH22 ARG 68 HH22 ARG 68 -0.828 12.161 -12.558 536 H ALA 69 H ALA 69 -1.183 3.783 -11.941 537 HA ALA 69 HA ALA 69 1.642 3.352 -11.241 538 HB1 ALA 69 HB1 ALA 69 -0.625 3.685 -9.282 539 HB2 ALA 69 HB2 ALA 69 0.423 5.010 -9.792 540 HB3 ALA 69 HB3 ALA 69 1.102 3.623 -8.938 541 H GLU 70 H GLU 70 2.113 1.276 -11.508 542 HA GLU 70 HA GLU 70 0.065 -0.770 -10.934 543 HB2 GLU 70 HB2 GLU 70 0.954 -0.729 -13.259 544 HB3 GLU 70 HB3 GLU 70 2.574 -1.007 -12.622 545 HG2 GLU 70 HG2 GLU 70 1.843 -3.155 -11.649 546 HG3 GLU 70 HG3 GLU 70 0.207 -2.876 -12.230 547 H TRP 71 H TRP 71 0.357 -2.132 -9.287 548 HA TRP 71 HA TRP 71 2.450 -1.788 -7.400 549 HB2 TRP 71 HB2 TRP 71 0.212 -2.606 -6.761 550 HB3 TRP 71 HB3 TRP 71 0.450 -4.046 -7.748 551 HD1 TRP 71 HD1 TRP 71 1.661 -2.410 -4.492 552 HE1 TRP 71 HE1 TRP 71 2.771 -4.235 -3.038 553 HE3 TRP 71 HE3 TRP 71 1.625 -6.313 -7.775 554 HZ2 TRP 71 HZ2 TRP 71 3.535 -6.972 -3.240 555 HZ3 TRP 71 HZ3 TRP 71 2.550 -8.519 -7.123 556 HH2 TRP 71 HH2 TRP 71 3.503 -8.854 -4.863 557 H MET 72 H MET 72 4.410 -2.570 -7.319 558 HA MET 72 HA MET 72 5.088 -5.066 -8.714 559 HB2 MET 72 HB2 MET 72 5.753 -3.142 -10.167 560 HB3 MET 72 HB3 MET 72 6.768 -2.545 -8.855 561 HG2 MET 72 HG2 MET 72 8.108 -4.591 -8.909 562 HG3 MET 72 HG3 MET 72 7.060 -5.276 -10.150 563 HE1 MET 72 HE1 MET 72 9.940 -5.297 -10.330 564 HE2 MET 72 HE2 MET 72 10.534 -4.499 -11.783 565 HE3 MET 72 HE3 MET 72 9.206 -5.651 -11.903 566 H GLU 73 H GLU 73 6.227 -6.405 -7.443 567 HA GLU 73 HA GLU 73 7.269 -5.370 -4.886 568 HB2 GLU 73 HB2 GLU 73 5.625 -7.239 -4.812 569 HB3 GLU 73 HB3 GLU 73 6.764 -8.247 -5.697 570 HG2 GLU 73 HG2 GLU 73 8.408 -8.014 -3.897 571 HG3 GLU 73 HG3 GLU 73 7.324 -6.936 -3.014 572 H ASP 74 H ASP 74 9.390 -5.573 -4.299 573 HA ASP 74 HA ASP 74 11.305 -5.845 -6.405 574 HB2 ASP 74 HB2 ASP 74 12.969 -5.328 -4.722 575 HB3 ASP 74 HB3 ASP 74 11.585 -4.266 -4.510 576 H SER 75 H SER 75 13.274 -7.194 -6.146 577 HA SER 75 HA SER 75 12.610 -9.931 -6.195 578 HB2 SER 75 HB2 SER 75 14.464 -9.025 -7.497 579 HB3 SER 75 HB3 SER 75 15.321 -8.612 -6.017 580 HG SER 75 HG SER 75 15.212 -10.896 -5.509 581 H THR 76 H THR 76 14.116 -7.924 -3.699 582 HA THR 76 HA THR 76 15.064 -9.943 -2.011 583 HB THR 76 HB THR 76 13.978 -7.239 -1.132 584 HG1 THR 76 HG1 THR 76 15.531 -6.658 -2.489 585 HG21 THR 76 HG21 THR 76 16.266 -8.807 0.065 586 HG22 THR 76 HG22 THR 76 14.604 -9.081 0.583 587 HG23 THR 76 HG23 THR 76 15.338 -7.490 0.780 588 H GLU 77 H GLU 77 11.861 -8.438 -2.194 589 HA GLU 77 HA GLU 77 9.868 -8.904 -1.161 590 HB2 GLU 77 HB2 GLU 77 10.360 -10.986 -2.590 591 HB3 GLU 77 HB3 GLU 77 10.813 -11.775 -1.080 592 HG2 GLU 77 HG2 GLU 77 8.597 -11.369 -0.146 593 HG3 GLU 77 HG3 GLU 77 8.138 -10.429 -1.560 594 H GLU 78 H GLU 78 11.970 -8.091 0.601 595 HA GLU 78 HA GLU 78 11.738 -9.738 3.001 596 HB2 GLU 78 HB2 GLU 78 13.301 -8.101 4.019 597 HB3 GLU 78 HB3 GLU 78 13.939 -8.780 2.526 598 HG2 GLU 78 HG2 GLU 78 13.259 -6.775 1.287 599 HG3 GLU 78 HG3 GLU 78 12.507 -6.110 2.734 600 H GLY 79 H GLY 79 9.307 -8.570 2.022 601 HA2 GLY 79 HA2 GLY 79 7.408 -7.788 3.134 602 HA3 GLY 79 HA3 GLY 79 8.436 -7.174 4.423 603 H SER 80 H SER 80 9.725 -6.211 1.434 604 HA SER 80 HA SER 80 8.883 -3.471 1.856 605 HB2 SER 80 HB2 SER 80 11.193 -3.904 1.226 606 HB3 SER 80 HB3 SER 80 10.668 -4.758 -0.219 607 HG SER 80 HG SER 80 10.226 -2.900 -1.158 608 H VAL 81 H VAL 81 7.508 -2.308 0.632 609 HA VAL 81 HA VAL 81 6.037 -3.719 -1.519 610 HB VAL 81 HB VAL 81 5.057 -1.499 0.321 611 HG11 VAL 81 HG11 VAL 81 4.086 -1.601 -2.035 612 HG12 VAL 81 HG12 VAL 81 2.918 -1.742 -0.721 613 HG13 VAL 81 HG13 VAL 81 3.435 -3.181 -1.596 614 HG21 VAL 81 HG21 VAL 81 3.498 -3.379 1.119 615 HG22 VAL 81 HG22 VAL 81 5.183 -3.511 1.618 616 HG23 VAL 81 HG23 VAL 81 4.580 -4.493 0.282 617 H ALA 82 H ALA 82 6.285 -2.897 -3.521 618 HA ALA 82 HA ALA 82 7.300 -0.125 -3.788 619 HB1 ALA 82 HB1 ALA 82 8.154 -1.343 -6.077 620 HB2 ALA 82 HB2 ALA 82 8.240 -2.677 -4.929 621 HB3 ALA 82 HB3 ALA 82 9.123 -1.193 -4.614 622 H LEU 83 H LEU 83 6.483 1.167 -5.351 623 HA LEU 83 HA LEU 83 4.186 0.156 -6.913 624 HB2 LEU 83 HB2 LEU 83 3.449 1.659 -5.090 625 HB3 LEU 83 HB3 LEU 83 4.556 2.893 -5.674 626 HG LEU 83 HG LEU 83 3.308 2.934 -7.853 627 HD11 LEU 83 HD11 LEU 83 0.948 1.909 -7.732 628 HD12 LEU 83 HD12 LEU 83 1.553 0.958 -6.375 629 HD13 LEU 83 HD13 LEU 83 2.286 0.783 -7.969 630 HD21 LEU 83 HD21 LEU 83 1.540 4.315 -7.027 631 HD22 LEU 83 HD22 LEU 83 2.807 4.433 -5.813 632 HD23 LEU 83 HD23 LEU 83 1.414 3.391 -5.532 633 H LYS 84 H LYS 84 4.475 0.274 -9.035 634 HA LYS 84 HA LYS 84 6.681 1.849 -10.141 635 HB2 LYS 84 HB2 LYS 84 6.298 -0.540 -10.805 636 HB3 LYS 84 HB3 LYS 84 4.777 -0.045 -11.542 637 HG2 LYS 84 HG2 LYS 84 5.962 1.466 -13.068 638 HG3 LYS 84 HG3 LYS 84 7.497 1.096 -12.285 639 HD2 LYS 84 HD2 LYS 84 7.442 -0.260 -14.253 640 HD3 LYS 84 HD3 LYS 84 7.071 -1.349 -12.917 641 HE2 LYS 84 HE2 LYS 84 4.676 -1.182 -13.398 642 HE3 LYS 84 HE3 LYS 84 4.991 -0.010 -14.678 643 HZ1 LYS 84 HZ1 LYS 84 4.725 -2.549 -15.198 644 HZ2 LYS 84 HZ2 LYS 84 6.372 -2.590 -14.785 645 HZ3 LYS 84 HZ3 LYS 84 5.834 -1.596 -16.054 646 H ILE 85 H ILE 85 6.329 3.864 -10.869 647 HA ILE 85 HA ILE 85 3.587 4.606 -11.717 648 HB ILE 85 HB ILE 85 4.362 5.765 -9.677 649 HG12 ILE 85 HG12 ILE 85 4.358 7.751 -11.975 650 HG13 ILE 85 HG13 ILE 85 2.900 6.891 -11.484 651 HG21 ILE 85 HG21 ILE 85 6.569 6.848 -11.457 652 HG22 ILE 85 HG22 ILE 85 6.778 5.726 -10.113 653 HG23 ILE 85 HG23 ILE 85 6.233 7.374 -9.809 654 HD11 ILE 85 HD11 ILE 85 2.855 7.927 -9.364 655 HD12 ILE 85 HD12 ILE 85 3.342 9.231 -10.448 656 HD13 ILE 85 HD13 ILE 85 4.549 8.413 -9.460 657 H ARG 86 H ARG 86 3.264 5.231 -13.753 658 HA ARG 86 HA ARG 86 5.532 5.250 -15.576 659 HB2 ARG 86 HB2 ARG 86 2.558 5.372 -16.110 660 HB3 ARG 86 HB3 ARG 86 3.808 5.252 -17.348 661 HG2 ARG 86 HG2 ARG 86 4.579 3.118 -16.384 662 HG3 ARG 86 HG3 ARG 86 3.346 3.235 -15.128 663 HD2 ARG 86 HD2 ARG 86 2.504 1.779 -16.870 664 HD3 ARG 86 HD3 ARG 86 1.601 3.288 -16.923 665 HE ARG 86 HE ARG 86 2.557 3.752 -19.001 666 HH11 ARG 86 HH11 ARG 86 4.236 1.033 -17.536 667 HH12 ARG 86 HH12 ARG 86 5.123 0.650 -18.974 668 HH21 ARG 86 HH21 ARG 86 3.740 3.219 -20.853 669 HH22 ARG 86 HH22 ARG 86 4.841 1.883 -20.840 670 H GLN 87 H GLN 87 5.992 6.834 -17.077 671 HA GLN 87 HA GLN 87 6.425 8.937 -17.810 672 HB2 GLN 87 HB2 GLN 87 3.508 9.466 -17.162 673 HB3 GLN 87 HB3 GLN 87 4.507 10.332 -18.325 674 HG2 GLN 87 HG2 GLN 87 3.622 7.423 -18.496 675 HG3 GLN 87 HG3 GLN 87 3.129 8.735 -19.558 676 HE21 GLN 87 HE21 GLN 87 5.182 6.106 -19.422 677 HE22 GLN 87 HE22 GLN 87 6.374 6.606 -20.520 678 H VAL 88 H VAL 88 7.764 9.051 -15.837 679 HA VAL 88 HA VAL 88 6.976 10.590 -13.591 680 HB VAL 88 HB VAL 88 9.741 9.945 -14.657 681 HG11 VAL 88 HG11 VAL 88 9.684 11.918 -13.086 682 HG12 VAL 88 HG12 VAL 88 10.599 10.540 -12.487 683 HG13 VAL 88 HG13 VAL 88 8.979 10.854 -11.868 684 HG21 VAL 88 HG21 VAL 88 8.260 8.704 -12.332 685 HG22 VAL 88 HG22 VAL 88 9.705 8.100 -13.151 686 HG23 VAL 88 HG23 VAL 88 8.146 8.058 -13.967 687 H GLN 89 H GLN 89 7.424 12.705 -13.034 688 HA GLN 89 HA GLN 89 8.581 14.526 -14.958 689 HB2 GLN 89 HB2 GLN 89 6.252 15.980 -14.383 690 HB3 GLN 89 HB3 GLN 89 6.660 15.250 -15.924 691 HG2 GLN 89 HG2 GLN 89 4.491 14.439 -15.479 692 HG3 GLN 89 HG3 GLN 89 5.497 13.101 -14.952 693 HE21 GLN 89 HE21 GLN 89 6.332 13.922 -12.414 694 HE22 GLN 89 HE22 GLN 89 4.980 14.151 -11.417 695 HA PRO 90 HA PRO 90 9.980 17.154 -11.658 696 HB2 PRO 90 HB2 PRO 90 8.029 19.298 -12.406 697 HB3 PRO 90 HB3 PRO 90 9.775 19.418 -12.095 698 HG2 PRO 90 HG2 PRO 90 8.933 19.475 -14.561 699 HG3 PRO 90 HG3 PRO 90 10.335 18.467 -14.146 700 HD2 PRO 90 HD2 PRO 90 7.508 17.616 -14.675 701 HD3 PRO 90 HD3 PRO 90 9.032 16.833 -15.164 702 H SER 91 H SER 91 6.450 17.066 -12.009 703 HA SER 91 HA SER 91 5.735 17.906 -9.414 704 HB2 SER 91 HB2 SER 91 4.087 17.741 -11.218 705 HB3 SER 91 HB3 SER 91 4.287 15.995 -11.264 706 HG SER 91 HG SER 91 3.392 15.857 -9.244 707 H ASP 92 H ASP 92 6.701 14.756 -10.675 708 HA ASP 92 HA ASP 92 6.071 13.215 -8.377 709 HB2 ASP 92 HB2 ASP 92 7.960 12.774 -10.675 710 HB3 ASP 92 HB3 ASP 92 7.865 11.637 -9.343 711 H ASP 93 H ASP 93 8.865 15.091 -9.351 712 HA ASP 93 HA ASP 93 10.812 14.279 -7.527 713 HB2 ASP 93 HB2 ASP 93 10.966 16.092 -9.345 714 HB3 ASP 93 HB3 ASP 93 10.228 17.169 -8.180 715 H GLY 94 H GLY 94 10.726 14.084 -5.336 716 HA2 GLY 94 HA2 GLY 94 10.398 15.903 -3.416 717 HA3 GLY 94 HA3 GLY 94 8.717 15.585 -3.832 718 H GLN 95 H GLN 95 8.271 14.792 -1.778 719 HA GLN 95 HA GLN 95 9.538 12.226 -1.010 720 HB2 GLN 95 HB2 GLN 95 7.950 14.037 0.831 721 HB3 GLN 95 HB3 GLN 95 9.036 12.730 1.280 722 HG2 GLN 95 HG2 GLN 95 9.820 15.419 0.085 723 HG3 GLN 95 HG3 GLN 95 10.144 14.862 1.721 724 HE21 GLN 95 HE21 GLN 95 11.322 12.468 1.533 725 HE22 GLN 95 HE22 GLN 95 12.660 12.496 0.489 726 H TYR 96 H TYR 96 8.223 10.454 -0.418 727 HA TYR 96 HA TYR 96 5.298 10.803 -0.817 728 HB2 TYR 96 HB2 TYR 96 7.026 8.509 -1.769 729 HB3 TYR 96 HB3 TYR 96 5.280 8.415 -1.672 730 HD1 TYR 96 HD1 TYR 96 7.782 10.962 -2.942 731 HD2 TYR 96 HD2 TYR 96 4.250 8.641 -3.758 732 HE1 TYR 96 HE1 TYR 96 7.655 11.942 -5.213 733 HE2 TYR 96 HE2 TYR 96 4.127 9.636 -6.022 734 HH TYR 96 HH TYR 96 5.648 10.676 -7.642 735 H TRP 97 H TRP 97 4.006 9.936 0.773 736 HA TRP 97 HA TRP 97 5.347 8.745 3.085 737 HB2 TRP 97 HB2 TRP 97 2.590 9.918 2.705 738 HB3 TRP 97 HB3 TRP 97 3.123 9.141 4.196 739 HD1 TRP 97 HD1 TRP 97 3.619 12.258 2.077 740 HE1 TRP 97 HE1 TRP 97 4.948 13.997 3.439 741 HE3 TRP 97 HE3 TRP 97 4.899 9.416 6.123 742 HZ2 TRP 97 HZ2 TRP 97 6.363 14.162 5.917 743 HZ3 TRP 97 HZ3 TRP 97 6.237 10.392 7.970 744 HH2 TRP 97 HH2 TRP 97 6.969 12.761 7.873 745 H CYS 98 H CYS 98 5.067 6.728 3.786 746 HA CYS 98 HA CYS 98 3.275 4.923 2.268 747 HB2 CYS 98 HB2 CYS 98 5.689 4.304 2.236 748 HB3 CYS 98 HB3 CYS 98 5.693 4.278 3.996 749 H ARG 99 H ARG 99 1.391 4.445 3.329 750 HA ARG 99 HA ARG 99 1.372 4.557 6.278 751 HB2 ARG 99 HB2 ARG 99 -0.075 6.171 4.825 752 HB3 ARG 99 HB3 ARG 99 -1.089 4.758 4.550 753 HG2 ARG 99 HG2 ARG 99 -0.309 5.554 7.361 754 HG3 ARG 99 HG3 ARG 99 -1.662 6.339 6.556 755 HD2 ARG 99 HD2 ARG 99 -1.379 3.365 7.112 756 HD3 ARG 99 HD3 ARG 99 -2.469 4.482 7.894 757 HE ARG 99 HE ARG 99 -2.779 3.360 5.214 758 HH11 ARG 99 HH11 ARG 99 -3.867 5.778 7.525 759 HH12 ARG 99 HH12 ARG 99 -5.414 5.974 6.773 760 HH21 ARG 99 HH21 ARG 99 -4.842 3.599 4.309 761 HH22 ARG 99 HH22 ARG 99 -5.958 4.749 4.965 762 H PHE 100 H PHE 100 1.166 2.696 7.297 763 HA PHE 100 HA PHE 100 -0.124 0.401 5.927 764 HB2 PHE 100 HB2 PHE 100 2.238 0.022 6.704 765 HB3 PHE 100 HB3 PHE 100 1.728 0.400 8.346 766 HD1 PHE 100 HD1 PHE 100 1.167 -1.958 5.507 767 HD2 PHE 100 HD2 PHE 100 0.664 -1.245 9.713 768 HE1 PHE 100 HE1 PHE 100 0.433 -4.305 5.819 769 HE2 PHE 100 HE2 PHE 100 -0.070 -3.594 10.023 770 HZ PHE 100 HZ PHE 100 -0.186 -5.124 8.076 771 H GLN 101 H GLN 101 -2.165 0.099 6.512 772 HA GLN 101 HA GLN 101 -2.994 0.918 9.234 773 HB2 GLN 101 HB2 GLN 101 -3.915 2.359 7.448 774 HB3 GLN 101 HB3 GLN 101 -4.667 0.947 6.712 775 HG2 GLN 101 HG2 GLN 101 -6.013 0.585 8.739 776 HG3 GLN 101 HG3 GLN 101 -5.222 1.951 9.525 777 HE21 GLN 101 HE21 GLN 101 -7.161 3.244 9.707 778 HE22 GLN 101 HE22 GLN 101 -7.946 3.889 8.348 779 H GLU 102 H GLU 102 -3.736 -0.560 10.506 780 HA GLU 102 HA GLU 102 -5.224 -2.860 9.500 781 HB2 GLU 102 HB2 GLU 102 -2.871 -3.655 9.704 782 HB3 GLU 102 HB3 GLU 102 -2.858 -3.140 11.391 783 HG2 GLU 102 HG2 GLU 102 -3.316 -5.548 11.273 784 HG3 GLU 102 HG3 GLU 102 -4.741 -4.703 11.863 785 H GLY 103 H GLY 103 -6.990 -3.176 10.756 786 HA2 GLY 103 HA2 GLY 103 -8.518 -2.901 12.462 787 HA3 GLY 103 HA3 GLY 103 -7.140 -2.814 13.559 788 H ASP 104 H ASP 104 -7.348 -1.025 14.774 789 HA ASP 104 HA ASP 104 -8.227 1.489 13.479 790 HB2 ASP 104 HB2 ASP 104 -9.606 0.602 15.385 791 HB3 ASP 104 HB3 ASP 104 -8.219 0.881 16.437 792 H TYR 105 H TYR 105 -5.407 0.199 13.788 793 HA TYR 105 HA TYR 105 -4.071 2.636 14.803 794 HB2 TYR 105 HB2 TYR 105 -3.842 0.808 16.455 795 HB3 TYR 105 HB3 TYR 105 -3.151 -0.230 15.213 796 HD1 TYR 105 HD1 TYR 105 -2.622 2.931 17.121 797 HD2 TYR 105 HD2 TYR 105 -0.836 -0.071 14.620 798 HE1 TYR 105 HE1 TYR 105 -0.375 3.873 17.592 799 HE2 TYR 105 HE2 TYR 105 1.408 0.871 15.092 800 HH TYR 105 HH TYR 105 2.219 3.395 15.839 801 H TRP 106 H TRP 106 -2.596 3.523 13.436 802 HA TRP 106 HA TRP 106 -1.295 1.879 11.409 803 HB2 TRP 106 HB2 TRP 106 -1.943 3.296 9.519 804 HB3 TRP 106 HB3 TRP 106 -3.387 2.645 10.304 805 HD1 TRP 106 HD1 TRP 106 -1.595 5.866 9.526 806 HE1 TRP 106 HE1 TRP 106 -3.030 7.865 10.310 807 HE3 TRP 106 HE3 TRP 106 -5.186 3.393 12.193 808 HZ2 TRP 106 HZ2 TRP 106 -5.378 8.348 11.862 809 HZ3 TRP 106 HZ3 TRP 106 -7.007 4.648 13.315 810 HH2 TRP 106 HH2 TRP 106 -7.107 7.122 13.152 811 H ARG 107 H ARG 107 0.448 3.037 10.277 812 HA ARG 107 HA ARG 107 1.400 5.517 11.477 813 HB2 ARG 107 HB2 ARG 107 2.166 3.546 12.921 814 HB3 ARG 107 HB3 ARG 107 3.230 3.106 11.595 815 HG2 ARG 107 HG2 ARG 107 3.325 5.998 12.450 816 HG3 ARG 107 HG3 ARG 107 3.941 4.827 13.603 817 HD2 ARG 107 HD2 ARG 107 5.809 4.454 12.398 818 HD3 ARG 107 HD3 ARG 107 4.943 4.318 10.874 819 HE ARG 107 HE ARG 107 5.448 6.533 10.462 820 HH11 ARG 107 HH11 ARG 107 5.922 5.927 13.888 821 HH12 ARG 107 HH12 ARG 107 6.604 7.490 14.193 822 HH21 ARG 107 HH21 ARG 107 6.322 8.568 10.906 823 HH22 ARG 107 HH22 ARG 107 6.827 8.974 12.513 824 H GLU 108 H GLU 108 2.890 6.649 10.165 825 HA GLU 108 HA GLU 108 3.685 5.326 7.674 826 HB2 GLU 108 HB2 GLU 108 2.874 7.205 6.304 827 HB3 GLU 108 HB3 GLU 108 1.560 6.418 7.169 828 HG2 GLU 108 HG2 GLU 108 1.701 8.175 8.940 829 HG3 GLU 108 HG3 GLU 108 2.950 8.986 8.003 830 H THR 109 H THR 109 5.306 6.338 6.422 831 HA THR 109 HA THR 109 6.789 8.555 7.592 832 HB THR 109 HB THR 109 8.213 5.938 7.051 833 HG1 THR 109 HG1 THR 109 7.322 7.114 9.475 834 HG21 THR 109 HG21 THR 109 10.061 7.039 8.178 835 HG22 THR 109 HG22 THR 109 9.061 8.449 8.517 836 HG23 THR 109 HG23 THR 109 9.512 8.068 6.856 837 H SER 110 H SER 110 8.141 9.620 6.085 838 HA SER 110 HA SER 110 7.318 9.282 3.353 839 HB2 SER 110 HB2 SER 110 8.514 11.325 2.918 840 HB3 SER 110 HB3 SER 110 7.626 11.498 4.429 841 HG SER 110 HG SER 110 9.491 11.307 5.546 842 H VAL 111 H VAL 111 8.816 9.255 1.530 843 HA VAL 111 HA VAL 111 11.325 7.788 2.050 844 HB VAL 111 HB VAL 111 10.958 6.532 -0.064 845 HG11 VAL 111 HG11 VAL 111 8.984 5.153 0.812 846 HG12 VAL 111 HG12 VAL 111 8.887 6.326 2.124 847 HG13 VAL 111 HG13 VAL 111 10.348 5.363 1.910 848 HG21 VAL 111 HG21 VAL 111 9.065 6.749 -1.393 849 HG22 VAL 111 HG22 VAL 111 9.234 8.415 -0.861 850 HG23 VAL 111 HG23 VAL 111 8.055 7.357 -0.090 851 H LEU 112 H LEU 112 13.044 8.159 0.548 852 HA LEU 112 HA LEU 112 13.020 10.898 -0.479 853 HB2 LEU 112 HB2 LEU 112 15.301 8.898 -0.424 854 HB3 LEU 112 HB3 LEU 112 15.431 10.626 -0.714 855 HG LEU 112 HG LEU 112 14.468 9.359 1.883 856 HD11 LEU 112 HD11 LEU 112 16.627 10.061 2.800 857 HD12 LEU 112 HD12 LEU 112 17.092 10.738 1.239 858 HD13 LEU 112 HD13 LEU 112 16.880 8.997 1.417 859 HD21 LEU 112 HD21 LEU 112 13.481 11.487 1.908 860 HD22 LEU 112 HD22 LEU 112 14.754 12.222 0.937 861 HD23 LEU 112 HD23 LEU 112 15.036 11.865 2.640 862 H LEU 113 H LEU 113 12.246 11.221 -2.519 863 HA LEU 113 HA LEU 113 13.262 9.397 -4.625 864 HB2 LEU 113 HB2 LEU 113 10.407 10.430 -4.478 865 HB3 LEU 113 HB3 LEU 113 11.103 9.393 -5.736 866 HG LEU 113 HG LEU 113 11.096 8.560 -2.817 867 HD11 LEU 113 HD11 LEU 113 9.032 8.064 -4.954 868 HD12 LEU 113 HD12 LEU 113 8.807 8.849 -3.389 869 HD13 LEU 113 HD13 LEU 113 9.170 7.134 -3.458 870 HD21 LEU 113 HD21 LEU 113 12.667 7.397 -4.330 871 HD22 LEU 113 HD22 LEU 113 11.340 7.032 -5.433 872 HD23 LEU 113 HD23 LEU 113 11.369 6.317 -3.820 873 H GLN 114 H GLN 114 14.321 10.470 -6.091 874 HA GLN 114 HA GLN 114 13.561 13.265 -6.695 875 HB2 GLN 114 HB2 GLN 114 16.383 12.136 -6.625 876 HB3 GLN 114 HB3 GLN 114 15.936 13.785 -7.049 877 HG2 GLN 114 HG2 GLN 114 15.479 12.474 -4.345 878 HG3 GLN 114 HG3 GLN 114 16.731 13.655 -4.708 879 HE21 GLN 114 HE21 GLN 114 13.677 13.368 -3.388 880 HE22 GLN 114 HE22 GLN 114 13.134 14.964 -3.604 881 H VAL 115 H VAL 115 13.538 13.792 -8.861 882 HA VAL 115 HA VAL 115 14.044 11.540 -10.727 883 HB VAL 115 HB VAL 115 12.256 12.470 -12.151 884 HG11 VAL 115 HG11 VAL 115 10.348 12.038 -10.495 885 HG12 VAL 115 HG12 VAL 115 11.594 11.867 -9.261 886 HG13 VAL 115 HG13 VAL 115 11.558 10.760 -10.633 887 HG21 VAL 115 HG21 VAL 115 12.105 14.503 -9.920 888 HG22 VAL 115 HG22 VAL 115 10.740 14.220 -11.001 889 HG23 VAL 115 HG23 VAL 115 12.272 14.809 -11.646 890 H ALA 116 H ALA 116 15.265 11.843 -12.481 891 HA ALA 116 HA ALA 116 16.985 14.114 -12.611 892 HB1 ALA 116 HB1 ALA 116 16.734 12.332 -14.980 893 HB2 ALA 116 HB2 ALA 116 17.246 11.588 -13.466 894 HB3 ALA 116 HB3 ALA 116 18.176 12.918 -14.154 895 H ALA 117 H ALA 117 17.024 15.834 -14.006 896 HA ALA 117 HA ALA 117 14.494 16.449 -15.343 897 HB1 ALA 117 HB1 ALA 117 16.899 18.139 -14.641 898 HB2 ALA 117 HB2 ALA 117 15.288 18.204 -13.927 899 HB3 ALA 117 HB3 ALA 117 15.538 18.738 -15.588 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 2.663 2.227 19.901 2 H2 MET 1 HT2 MET 1 2.129 0.632 19.662 3 H3 MET 1 HT3 MET 1 1.060 1.934 19.434 4 HA MET 1 HA MET 1 1.995 2.564 17.448 5 HB2 MET 1 HB2 MET 1 4.308 2.626 18.435 6 HB3 MET 1 HB3 MET 1 4.424 0.889 18.160 7 HG2 MET 1 HG2 MET 1 4.072 1.240 15.744 8 HG3 MET 1 HG3 MET 1 3.951 2.980 16.014 9 HE1 MET 1 HE1 MET 1 6.339 3.662 18.180 10 HE2 MET 1 HE2 MET 1 5.494 4.425 16.837 11 HE3 MET 1 HE3 MET 1 7.249 4.290 16.796 12 H ASP 2 H ASP 2 3.003 -0.727 18.436 13 HA ASP 2 HA ASP 2 2.424 -2.810 17.702 14 HB2 ASP 2 HB2 ASP 2 0.031 -1.452 17.693 15 HB3 ASP 2 HB3 ASP 2 0.119 -2.012 16.027 16 H PHE 3 H PHE 3 1.383 -0.810 14.912 17 HA PHE 3 HA PHE 3 3.171 -2.408 13.188 18 HB2 PHE 3 HB2 PHE 3 0.722 -0.760 12.517 19 HB3 PHE 3 HB3 PHE 3 1.740 -1.566 11.324 20 HD1 PHE 3 HD1 PHE 3 -0.753 -2.018 13.976 21 HD2 PHE 3 HD2 PHE 3 1.847 -4.025 11.209 22 HE1 PHE 3 HE1 PHE 3 -1.996 -4.131 14.343 23 HE2 PHE 3 HE2 PHE 3 0.604 -6.139 11.575 24 HZ PHE 3 HZ PHE 3 -1.318 -6.190 13.141 25 H ARG 4 H ARG 4 4.721 -1.444 11.936 26 HA ARG 4 HA ARG 4 4.868 1.486 11.908 27 HB2 ARG 4 HB2 ARG 4 6.267 0.718 13.816 28 HB3 ARG 4 HB3 ARG 4 7.237 -0.234 12.690 29 HG2 ARG 4 HG2 ARG 4 7.906 1.775 11.479 30 HG3 ARG 4 HG3 ARG 4 6.821 2.768 12.449 31 HD2 ARG 4 HD2 ARG 4 9.079 3.017 13.266 32 HD3 ARG 4 HD3 ARG 4 8.128 2.153 14.469 33 HE ARG 4 HE ARG 4 9.427 0.308 12.724 34 HH11 ARG 4 HH11 ARG 4 10.119 2.479 15.403 35 HH12 ARG 4 HH12 ARG 4 11.487 1.567 15.948 36 HH21 ARG 4 HH21 ARG 4 11.221 -0.850 13.472 37 HH22 ARG 4 HH22 ARG 4 12.104 -0.306 14.858 38 H VAL 5 H VAL 5 6.025 2.393 10.288 39 HA VAL 5 HA VAL 5 6.745 0.666 7.997 40 HB VAL 5 HB VAL 5 5.624 3.482 7.998 41 HG11 VAL 5 HG11 VAL 5 6.934 3.349 6.038 42 HG12 VAL 5 HG12 VAL 5 5.352 2.837 5.455 43 HG13 VAL 5 HG13 VAL 5 6.592 1.636 5.804 44 HG21 VAL 5 HG21 VAL 5 3.969 1.682 8.610 45 HG22 VAL 5 HG22 VAL 5 4.305 0.898 7.066 46 HG23 VAL 5 HG23 VAL 5 3.568 2.499 7.099 47 H VAL 6 H VAL 6 8.769 1.052 7.072 48 HA VAL 6 HA VAL 6 10.368 3.250 8.266 49 HB VAL 6 HB VAL 6 11.356 0.434 7.688 50 HG11 VAL 6 HG11 VAL 6 13.490 1.107 8.199 51 HG12 VAL 6 HG12 VAL 6 12.974 2.325 9.360 52 HG13 VAL 6 HG13 VAL 6 12.918 2.674 7.643 53 HG21 VAL 6 HG21 VAL 6 9.910 0.417 9.657 54 HG22 VAL 6 HG22 VAL 6 10.719 1.840 10.312 55 HG23 VAL 6 HG23 VAL 6 11.585 0.307 10.201 56 H GLY 7 H GLY 7 11.436 4.507 6.883 57 HA2 GLY 7 HA2 GLY 7 11.489 3.749 4.015 58 HA3 GLY 7 HA3 GLY 7 11.436 5.396 4.624 59 HA PRO 8 HA PRO 8 16.019 4.097 5.363 60 HB2 PRO 8 HB2 PRO 8 16.910 1.634 4.898 61 HB3 PRO 8 HB3 PRO 8 15.987 2.000 6.374 62 HG2 PRO 8 HG2 PRO 8 15.053 0.722 3.841 63 HG3 PRO 8 HG3 PRO 8 14.742 0.252 5.524 64 HD2 PRO 8 HD2 PRO 8 12.954 1.701 4.018 65 HD3 PRO 8 HD3 PRO 8 13.058 1.783 5.790 66 H ASN 9 H ASN 9 14.274 3.243 2.551 67 HA ASN 9 HA ASN 9 16.235 2.595 0.692 68 HB2 ASN 9 HB2 ASN 9 13.619 4.038 0.250 69 HB3 ASN 9 HB3 ASN 9 14.558 3.191 -0.980 70 HD21 ASN 9 HD21 ASN 9 11.914 2.771 0.982 71 HD22 ASN 9 HD22 ASN 9 11.944 1.083 1.159 72 H LEU 10 H LEU 10 17.596 3.712 -0.512 73 HA LEU 10 HA LEU 10 18.176 6.460 0.079 74 HB2 LEU 10 HB2 LEU 10 20.041 6.166 -1.528 75 HB3 LEU 10 HB3 LEU 10 19.980 4.852 -0.362 76 HG LEU 10 HG LEU 10 18.548 3.627 -2.197 77 HD11 LEU 10 HD11 LEU 10 19.701 5.959 -3.716 78 HD12 LEU 10 HD12 LEU 10 18.124 5.189 -3.877 79 HD13 LEU 10 HD13 LEU 10 19.547 4.406 -4.536 80 HD21 LEU 10 HD21 LEU 10 20.556 2.627 -3.100 81 HD22 LEU 10 HD22 LEU 10 20.920 3.089 -1.438 82 HD23 LEU 10 HD23 LEU 10 21.496 4.084 -2.775 83 HA PRO 11 HA PRO 11 15.812 8.673 -2.958 84 HB2 PRO 11 HB2 PRO 11 17.794 9.989 -4.462 85 HB3 PRO 11 HB3 PRO 11 17.015 10.604 -2.990 86 HG2 PRO 11 HG2 PRO 11 19.632 9.226 -3.306 87 HG3 PRO 11 HG3 PRO 11 19.177 10.560 -2.229 88 HD2 PRO 11 HD2 PRO 11 19.444 8.104 -1.246 89 HD3 PRO 11 HD3 PRO 11 18.108 9.141 -0.695 90 H ILE 12 H ILE 12 14.848 7.843 -4.725 91 HA ILE 12 HA ILE 12 16.405 6.078 -6.507 92 HB ILE 12 HB ILE 12 13.380 6.343 -6.218 93 HG12 ILE 12 HG12 ILE 12 15.206 4.069 -5.342 94 HG13 ILE 12 HG13 ILE 12 14.724 5.365 -4.250 95 HG21 ILE 12 HG21 ILE 12 15.122 4.430 -7.816 96 HG22 ILE 12 HG22 ILE 12 13.936 5.565 -8.456 97 HG23 ILE 12 HG23 ILE 12 13.402 4.172 -7.517 98 HD11 ILE 12 HD11 ILE 12 13.261 3.360 -4.031 99 HD12 ILE 12 HD12 ILE 12 12.797 3.538 -5.723 100 HD13 ILE 12 HD13 ILE 12 12.361 4.784 -4.554 101 H LEU 13 H LEU 13 16.895 6.613 -8.520 102 HA LEU 13 HA LEU 13 15.993 9.207 -9.503 103 HB2 LEU 13 HB2 LEU 13 18.383 7.481 -10.005 104 HB3 LEU 13 HB3 LEU 13 17.903 8.624 -11.255 105 HG LEU 13 HG LEU 13 17.886 10.419 -9.428 106 HD11 LEU 13 HD11 LEU 13 19.350 9.867 -7.451 107 HD12 LEU 13 HD12 LEU 13 19.307 8.176 -7.950 108 HD13 LEU 13 HD13 LEU 13 17.821 8.990 -7.459 109 HD21 LEU 13 HD21 LEU 13 20.452 8.987 -10.187 110 HD22 LEU 13 HD22 LEU 13 20.411 10.583 -9.438 111 HD23 LEU 13 HD23 LEU 13 19.699 10.338 -11.033 112 H ALA 14 H ALA 14 14.591 9.478 -11.021 113 HA ALA 14 HA ALA 14 14.344 7.562 -13.219 114 HB1 ALA 14 HB1 ALA 14 12.545 7.130 -11.439 115 HB2 ALA 14 HB2 ALA 14 11.981 7.406 -13.087 116 HB3 ALA 14 HB3 ALA 14 11.881 8.699 -11.893 117 H LYS 15 H LYS 15 14.156 8.589 -15.159 118 HA LYS 15 HA LYS 15 14.373 11.474 -15.202 119 HB2 LYS 15 HB2 LYS 15 14.335 9.434 -17.433 120 HB3 LYS 15 HB3 LYS 15 14.607 11.165 -17.664 121 HG2 LYS 15 HG2 LYS 15 16.549 11.028 -16.092 122 HG3 LYS 15 HG3 LYS 15 16.316 9.284 -16.000 123 HD2 LYS 15 HD2 LYS 15 16.794 10.760 -18.609 124 HD3 LYS 15 HD3 LYS 15 18.088 10.036 -17.657 125 HE2 LYS 15 HE2 LYS 15 15.695 8.534 -18.765 126 HE3 LYS 15 HE3 LYS 15 17.312 8.514 -19.466 127 HZ1 LYS 15 HZ1 LYS 15 18.000 7.806 -17.090 128 HZ2 LYS 15 HZ2 LYS 15 17.332 6.652 -18.143 129 HZ3 LYS 15 HZ3 LYS 15 16.373 7.357 -16.929 130 H VAL 16 H VAL 16 12.988 12.955 -16.166 131 HA VAL 16 HA VAL 16 10.225 12.533 -15.869 132 HB VAL 16 HB VAL 16 11.237 14.772 -15.813 133 HG11 VAL 16 HG11 VAL 16 11.631 14.407 -18.802 134 HG12 VAL 16 HG12 VAL 16 12.920 14.424 -17.599 135 HG13 VAL 16 HG13 VAL 16 11.965 15.879 -17.890 136 HG21 VAL 16 HG21 VAL 16 9.471 15.935 -16.910 137 HG22 VAL 16 HG22 VAL 16 8.792 14.351 -16.543 138 HG23 VAL 16 HG23 VAL 16 9.341 14.714 -18.177 139 H GLY 17 H GLY 17 8.677 11.789 -17.160 140 HA2 GLY 17 HA2 GLY 17 7.622 11.221 -19.220 141 HA3 GLY 17 HA3 GLY 17 9.196 11.262 -20.010 142 H GLU 18 H GLU 18 10.310 9.714 -17.623 143 HA GLU 18 HA GLU 18 9.514 7.026 -18.504 144 HB2 GLU 18 HB2 GLU 18 11.947 8.001 -16.992 145 HB3 GLU 18 HB3 GLU 18 11.596 6.304 -17.325 146 HG2 GLU 18 HG2 GLU 18 11.593 6.766 -19.749 147 HG3 GLU 18 HG3 GLU 18 11.924 8.465 -19.431 148 H ASP 19 H ASP 19 9.378 5.367 -16.794 149 HA ASP 19 HA ASP 19 7.631 6.254 -14.694 150 HB2 ASP 19 HB2 ASP 19 7.439 3.852 -14.172 151 HB3 ASP 19 HB3 ASP 19 7.226 4.171 -15.897 152 H ALA 20 H ALA 20 7.900 5.747 -12.421 153 HA ALA 20 HA ALA 20 10.699 5.702 -11.471 154 HB1 ALA 20 HB1 ALA 20 10.000 7.957 -11.142 155 HB2 ALA 20 HB2 ALA 20 9.854 7.172 -9.570 156 HB3 ALA 20 HB3 ALA 20 8.416 7.449 -10.550 157 H LEU 21 H LEU 21 10.899 5.004 -9.175 158 HA LEU 21 HA LEU 21 8.814 3.003 -8.491 159 HB2 LEU 21 HB2 LEU 21 10.893 1.982 -9.422 160 HB3 LEU 21 HB3 LEU 21 11.811 2.717 -8.111 161 HG LEU 21 HG LEU 21 10.337 1.476 -6.475 162 HD11 LEU 21 HD11 LEU 21 9.136 -0.547 -7.492 163 HD12 LEU 21 HD12 LEU 21 9.310 0.265 -9.050 164 HD13 LEU 21 HD13 LEU 21 8.376 1.023 -7.762 165 HD21 LEU 21 HD21 LEU 21 11.362 -0.797 -7.019 166 HD22 LEU 21 HD22 LEU 21 12.503 0.546 -6.934 167 HD23 LEU 21 HD23 LEU 21 11.978 -0.067 -8.502 168 H LEU 22 H LEU 22 7.886 3.336 -6.606 169 HA LEU 22 HA LEU 22 9.433 4.579 -4.405 170 HB2 LEU 22 HB2 LEU 22 6.733 4.887 -3.648 171 HB3 LEU 22 HB3 LEU 22 7.808 6.155 -4.190 172 HG LEU 22 HG LEU 22 6.212 4.509 -6.175 173 HD11 LEU 22 HD11 LEU 22 4.695 5.569 -4.449 174 HD12 LEU 22 HD12 LEU 22 4.429 6.140 -6.097 175 HD13 LEU 22 HD13 LEU 22 5.323 7.138 -4.952 176 HD21 LEU 22 HD21 LEU 22 7.097 7.402 -6.388 177 HD22 LEU 22 HD22 LEU 22 6.685 6.283 -7.684 178 HD23 LEU 22 HD23 LEU 22 8.194 6.085 -6.798 179 H THR 23 H THR 23 9.915 3.173 -2.847 180 HA THR 23 HA THR 23 7.996 1.011 -2.239 181 HB THR 23 HB THR 23 9.698 0.049 -3.710 182 HG1 THR 23 HG1 THR 23 9.810 -1.651 -2.491 183 HG21 THR 23 HG21 THR 23 11.505 1.688 -3.204 184 HG22 THR 23 HG22 THR 23 12.059 0.018 -3.096 185 HG23 THR 23 HG23 THR 23 11.717 0.930 -1.625 186 H CYS 24 H CYS 24 7.940 0.260 -0.162 187 HA CYS 24 HA CYS 24 9.684 1.512 1.856 188 HB2 CYS 24 HB2 CYS 24 7.732 1.971 3.301 189 HB3 CYS 24 HB3 CYS 24 7.624 2.879 1.793 190 H GLN 25 H GLN 25 9.522 0.395 3.993 191 HA GLN 25 HA GLN 25 9.011 -2.499 3.611 192 HB2 GLN 25 HB2 GLN 25 11.069 -1.059 5.288 193 HB3 GLN 25 HB3 GLN 25 10.736 -2.786 5.428 194 HG2 GLN 25 HG2 GLN 25 11.353 -3.159 3.121 195 HG3 GLN 25 HG3 GLN 25 11.499 -1.428 2.829 196 HE21 GLN 25 HE21 GLN 25 13.618 -3.571 2.596 197 HE22 GLN 25 HE22 GLN 25 14.872 -3.071 3.625 198 H LEU 26 H LEU 26 7.370 -3.282 4.706 199 HA LEU 26 HA LEU 26 6.785 -2.263 7.406 200 HB2 LEU 26 HB2 LEU 26 4.361 -2.409 6.951 201 HB3 LEU 26 HB3 LEU 26 5.168 -1.233 5.920 202 HG LEU 26 HG LEU 26 5.375 -3.418 4.290 203 HD11 LEU 26 HD11 LEU 26 3.539 -4.892 4.418 204 HD12 LEU 26 HD12 LEU 26 2.633 -3.833 5.493 205 HD13 LEU 26 HD13 LEU 26 4.024 -4.717 6.101 206 HD21 LEU 26 HD21 LEU 26 4.415 -1.311 3.553 207 HD22 LEU 26 HD22 LEU 26 2.983 -1.559 4.553 208 HD23 LEU 26 HD23 LEU 26 3.272 -2.595 3.156 209 H LEU 27 H LEU 27 5.831 -3.813 8.838 210 HA LEU 27 HA LEU 27 6.289 -6.598 7.955 211 HB2 LEU 27 HB2 LEU 27 6.273 -6.911 10.646 212 HB3 LEU 27 HB3 LEU 27 7.730 -6.570 9.728 213 HG LEU 27 HG LEU 27 7.394 -4.113 10.216 214 HD11 LEU 27 HD11 LEU 27 5.152 -5.182 11.945 215 HD12 LEU 27 HD12 LEU 27 5.019 -4.031 10.615 216 HD13 LEU 27 HD13 LEU 27 5.830 -3.562 12.109 217 HD21 LEU 27 HD21 LEU 27 7.512 -5.892 12.676 218 HD22 LEU 27 HD22 LEU 27 8.130 -4.245 12.557 219 HD23 LEU 27 HD23 LEU 27 8.876 -5.536 11.615 220 HA PRO 28 HA PRO 28 1.730 -6.800 8.680 221 HB2 PRO 28 HB2 PRO 28 1.129 -8.709 6.918 222 HB3 PRO 28 HB3 PRO 28 1.518 -7.061 6.376 223 HG2 PRO 28 HG2 PRO 28 3.261 -9.484 6.424 224 HG3 PRO 28 HG3 PRO 28 3.045 -8.284 5.137 225 HD2 PRO 28 HD2 PRO 28 5.153 -8.221 6.891 226 HD3 PRO 28 HD3 PRO 28 4.485 -6.765 6.115 227 H LYS 29 H LYS 29 0.539 -8.252 9.962 228 HA LYS 29 HA LYS 29 1.959 -10.192 11.490 229 HB2 LYS 29 HB2 LYS 29 -0.995 -9.640 11.176 230 HB3 LYS 29 HB3 LYS 29 -0.355 -10.865 12.275 231 HG2 LYS 29 HG2 LYS 29 0.962 -9.165 13.454 232 HG3 LYS 29 HG3 LYS 29 0.407 -7.926 12.331 233 HD2 LYS 29 HD2 LYS 29 -0.971 -7.715 14.284 234 HD3 LYS 29 HD3 LYS 29 -1.971 -8.499 13.061 235 HE2 LYS 29 HE2 LYS 29 -1.507 -10.697 14.062 236 HE3 LYS 29 HE3 LYS 29 -0.447 -9.943 15.255 237 HZ1 LYS 29 HZ1 LYS 29 -3.183 -8.935 15.007 238 HZ2 LYS 29 HZ2 LYS 29 -2.186 -9.044 16.379 239 HZ3 LYS 29 HZ3 LYS 29 -2.960 -10.430 15.772 240 H ARG 30 H ARG 30 -0.272 -10.421 8.765 241 HA ARG 30 HA ARG 30 0.914 -12.779 7.736 242 HB2 ARG 30 HB2 ARG 30 -0.370 -13.750 9.679 243 HB3 ARG 30 HB3 ARG 30 -1.851 -13.191 8.901 244 HG2 ARG 30 HG2 ARG 30 -1.384 -14.557 6.931 245 HG3 ARG 30 HG3 ARG 30 0.167 -15.054 7.610 246 HD2 ARG 30 HD2 ARG 30 -2.528 -15.609 8.880 247 HD3 ARG 30 HD3 ARG 30 -1.607 -16.771 7.931 248 HE ARG 30 HE ARG 30 0.093 -15.843 9.952 249 HH11 ARG 30 HH11 ARG 30 -2.917 -17.640 9.740 250 HH12 ARG 30 HH12 ARG 30 -2.645 -18.511 11.212 251 HH21 ARG 30 HH21 ARG 30 0.409 -16.996 11.871 252 HH22 ARG 30 HH22 ARG 30 -0.769 -18.145 12.412 253 H THR 31 H THR 31 0.582 -12.714 5.590 254 HA THR 31 HA THR 31 -0.167 -11.953 3.555 255 HB THR 31 HB THR 31 -2.588 -12.425 3.165 256 HG1 THR 31 HG1 THR 31 -3.322 -11.800 5.232 257 HG21 THR 31 HG21 THR 31 -1.187 -14.559 4.794 258 HG22 THR 31 HG22 THR 31 -0.841 -14.209 3.100 259 HG23 THR 31 HG23 THR 31 -2.430 -14.813 3.568 260 H THR 32 H THR 32 -2.263 -10.560 2.605 261 HA THR 32 HA THR 32 -2.517 -8.104 4.211 262 HB THR 32 HB THR 32 -0.677 -7.675 2.661 263 HG1 THR 32 HG1 THR 32 -1.541 -5.789 2.498 264 HG21 THR 32 HG21 THR 32 -1.048 -7.753 0.213 265 HG22 THR 32 HG22 THR 32 -2.657 -8.424 0.484 266 HG23 THR 32 HG23 THR 32 -1.226 -9.348 0.943 267 H ALA 33 H ALA 33 -4.395 -10.087 4.002 268 HA ALA 33 HA ALA 33 -6.312 -9.815 1.970 269 HB1 ALA 33 HB1 ALA 33 -6.517 -11.765 3.211 270 HB2 ALA 33 HB2 ALA 33 -7.856 -10.793 3.822 271 HB3 ALA 33 HB3 ALA 33 -6.363 -10.921 4.752 272 H HIS 34 H HIS 34 -5.978 -8.133 5.076 273 HA HIS 34 HA HIS 34 -8.202 -6.352 4.261 274 HB2 HIS 34 HB2 HIS 34 -7.428 -7.167 7.075 275 HB3 HIS 34 HB3 HIS 34 -8.674 -5.986 6.667 276 HD2 HIS 34 HD2 HIS 34 -8.384 -9.765 7.167 277 HE1 HIS 34 HE1 HIS 34 -11.962 -9.159 5.012 278 HE2 HIS 34 HE2 HIS 34 -10.599 -10.856 6.319 279 H MET 35 H MET 35 -4.920 -6.372 4.525 280 HA MET 35 HA MET 35 -4.494 -3.862 5.907 281 HB2 MET 35 HB2 MET 35 -2.615 -5.581 4.273 282 HB3 MET 35 HB3 MET 35 -2.130 -4.171 5.211 283 HG2 MET 35 HG2 MET 35 -2.899 -5.233 7.273 284 HG3 MET 35 HG3 MET 35 -3.507 -6.616 6.363 285 HE1 MET 35 HE1 MET 35 -2.100 -8.430 7.698 286 HE2 MET 35 HE2 MET 35 -1.841 -7.024 8.727 287 HE3 MET 35 HE3 MET 35 -0.475 -8.048 8.293 288 H GLU 36 H GLU 36 -3.806 -1.884 5.014 289 HA GLU 36 HA GLU 36 -4.167 -1.607 2.077 290 HB2 GLU 36 HB2 GLU 36 -5.140 0.354 4.174 291 HB3 GLU 36 HB3 GLU 36 -5.263 0.557 2.432 292 HG2 GLU 36 HG2 GLU 36 -7.364 -0.318 2.829 293 HG3 GLU 36 HG3 GLU 36 -6.500 -1.830 2.613 294 H VAL 37 H VAL 37 -2.765 -0.263 1.012 295 HA VAL 37 HA VAL 37 -0.710 1.118 2.620 296 HB VAL 37 HB VAL 37 -0.272 -0.394 0.018 297 HG11 VAL 37 HG11 VAL 37 1.680 1.107 1.798 298 HG12 VAL 37 HG12 VAL 37 1.178 1.586 0.178 299 HG13 VAL 37 HG13 VAL 37 2.129 0.119 0.407 300 HG21 VAL 37 HG21 VAL 37 0.597 -0.966 2.874 301 HG22 VAL 37 HG22 VAL 37 1.180 -1.848 1.462 302 HG23 VAL 37 HG23 VAL 37 -0.524 -1.926 1.908 303 H ARG 38 H ARG 38 -0.424 3.216 2.165 304 HA ARG 38 HA ARG 38 -1.768 4.319 -0.248 305 HB2 ARG 38 HB2 ARG 38 -1.206 5.689 2.392 306 HB3 ARG 38 HB3 ARG 38 -2.052 6.390 1.026 307 HG2 ARG 38 HG2 ARG 38 -3.045 3.820 2.274 308 HG3 ARG 38 HG3 ARG 38 -3.462 5.378 2.976 309 HD2 ARG 38 HD2 ARG 38 -4.389 6.099 0.798 310 HD3 ARG 38 HD3 ARG 38 -4.006 4.517 0.125 311 HE ARG 38 HE ARG 38 -5.530 3.851 2.251 312 HH11 ARG 38 HH11 ARG 38 -6.036 6.261 -0.248 313 HH12 ARG 38 HH12 ARG 38 -7.763 6.137 -0.192 314 HH21 ARG 38 HH21 ARG 38 -7.785 3.711 2.291 315 HH22 ARG 38 HH22 ARG 38 -8.745 4.699 1.239 316 H TRP 39 H TRP 39 -0.661 5.680 -1.577 317 HA TRP 39 HA TRP 39 2.125 6.394 -0.857 318 HB2 TRP 39 HB2 TRP 39 0.987 5.688 -3.580 319 HB3 TRP 39 HB3 TRP 39 2.584 6.384 -3.330 320 HD1 TRP 39 HD1 TRP 39 4.487 4.820 -2.338 321 HE1 TRP 39 HE1 TRP 39 4.644 2.284 -1.990 322 HE3 TRP 39 HE3 TRP 39 -0.427 3.525 -2.957 323 HZ2 TRP 39 HZ2 TRP 39 2.939 0.004 -1.976 324 HZ3 TRP 39 HZ3 TRP 39 -1.122 1.152 -2.768 325 HH2 TRP 39 HH2 TRP 39 0.560 -0.608 -2.278 326 H TYR 40 H TYR 40 2.630 8.532 -0.972 327 HA TYR 40 HA TYR 40 0.682 10.377 -2.249 328 HB2 TYR 40 HB2 TYR 40 2.172 10.790 0.358 329 HB3 TYR 40 HB3 TYR 40 1.154 11.992 -0.431 330 HD1 TYR 40 HD1 TYR 40 1.205 8.798 1.405 331 HD2 TYR 40 HD2 TYR 40 -1.276 11.764 -0.459 332 HE1 TYR 40 HE1 TYR 40 -0.788 7.838 2.527 333 HE2 TYR 40 HE2 TYR 40 -3.267 10.805 0.659 334 HH TYR 40 HH TYR 40 -3.419 9.220 3.096 335 H ARG 41 H ARG 41 1.594 11.655 -3.769 336 HA ARG 41 HA ARG 41 4.521 11.841 -3.853 337 HB2 ARG 41 HB2 ARG 41 4.214 12.754 -6.148 338 HB3 ARG 41 HB3 ARG 41 3.523 11.151 -5.941 339 HG2 ARG 41 HG2 ARG 41 1.275 12.224 -5.596 340 HG3 ARG 41 HG3 ARG 41 1.996 13.783 -5.984 341 HD2 ARG 41 HD2 ARG 41 2.715 12.927 -8.171 342 HD3 ARG 41 HD3 ARG 41 1.992 11.367 -7.798 343 HE ARG 41 HE ARG 41 0.031 13.399 -7.514 344 HH11 ARG 41 HH11 ARG 41 1.852 11.755 -10.027 345 HH12 ARG 41 HH12 ARG 41 0.633 11.986 -11.238 346 HH21 ARG 41 HH21 ARG 41 -1.543 13.677 -9.121 347 HH22 ARG 41 HH22 ARG 41 -1.277 13.077 -10.724 348 H SER 42 H SER 42 4.921 13.234 -2.178 349 HA SER 42 HA SER 42 5.179 15.238 -1.099 350 HB2 SER 42 HB2 SER 42 4.826 16.320 -3.901 351 HB3 SER 42 HB3 SER 42 5.443 17.232 -2.531 352 HG SER 42 HG SER 42 6.995 16.114 -4.020 353 H ASP 43 H ASP 43 2.336 14.149 -1.770 354 HA ASP 43 HA ASP 43 0.900 16.547 -0.863 355 HB2 ASP 43 HB2 ASP 43 -0.078 14.617 -2.997 356 HB3 ASP 43 HB3 ASP 43 -1.033 15.922 -2.294 357 HA PRO 44 HA PRO 44 0.431 12.735 1.983 358 HB2 PRO 44 HB2 PRO 44 0.168 15.033 3.878 359 HB3 PRO 44 HB3 PRO 44 1.007 13.480 4.092 360 HG2 PRO 44 HG2 PRO 44 2.412 15.636 3.639 361 HG3 PRO 44 HG3 PRO 44 2.820 14.132 2.788 362 HD2 PRO 44 HD2 PRO 44 1.382 16.548 1.737 363 HD3 PRO 44 HD3 PRO 44 2.593 15.517 0.934 364 H ASP 45 H ASP 45 -1.334 15.805 1.833 365 HA ASP 45 HA ASP 45 -3.683 14.966 3.148 366 HB2 ASP 45 HB2 ASP 45 -4.722 16.979 2.182 367 HB3 ASP 45 HB3 ASP 45 -3.154 17.323 2.897 368 H MET 46 H MET 46 -2.644 14.525 -0.180 369 HA MET 46 HA MET 46 -5.249 13.254 -0.750 370 HB2 MET 46 HB2 MET 46 -5.202 15.378 -1.913 371 HB3 MET 46 HB3 MET 46 -3.644 14.990 -2.640 372 HG2 MET 46 HG2 MET 46 -4.582 13.243 -3.967 373 HG3 MET 46 HG3 MET 46 -6.093 13.252 -3.072 374 HE1 MET 46 HE1 MET 46 -7.338 14.470 -6.453 375 HE2 MET 46 HE2 MET 46 -7.205 13.174 -5.270 376 HE3 MET 46 HE3 MET 46 -5.870 13.481 -6.376 377 HA PRO 47 HA PRO 47 -2.355 9.874 -1.884 378 HB2 PRO 47 HB2 PRO 47 -4.131 7.852 -2.022 379 HB3 PRO 47 HB3 PRO 47 -3.566 8.483 -0.463 380 HG2 PRO 47 HG2 PRO 47 -6.103 9.059 -1.918 381 HG3 PRO 47 HG3 PRO 47 -5.841 8.733 -0.194 382 HD2 PRO 47 HD2 PRO 47 -6.151 11.264 -1.174 383 HD3 PRO 47 HD3 PRO 47 -5.172 10.901 0.266 384 H VAL 48 H VAL 48 -1.907 8.774 -3.849 385 HA VAL 48 HA VAL 48 -3.551 9.663 -6.143 386 HB VAL 48 HB VAL 48 -1.565 9.151 -7.539 387 HG11 VAL 48 HG11 VAL 48 -1.865 11.414 -6.697 388 HG12 VAL 48 HG12 VAL 48 -0.149 11.007 -6.663 389 HG13 VAL 48 HG13 VAL 48 -1.090 10.983 -5.172 390 HG21 VAL 48 HG21 VAL 48 -0.131 8.707 -4.895 391 HG22 VAL 48 HG22 VAL 48 0.562 8.576 -6.511 392 HG23 VAL 48 HG23 VAL 48 -0.631 7.398 -5.966 393 H ILE 49 H ILE 49 -2.342 6.826 -4.507 394 HA ILE 49 HA ILE 49 -4.256 5.137 -5.806 395 HB ILE 49 HB ILE 49 -2.335 5.266 -7.480 396 HG12 ILE 49 HG12 ILE 49 -2.193 2.719 -7.752 397 HG13 ILE 49 HG13 ILE 49 -3.173 2.596 -6.289 398 HG21 ILE 49 HG21 ILE 49 -0.405 5.324 -6.078 399 HG22 ILE 49 HG22 ILE 49 -0.355 3.785 -6.932 400 HG23 ILE 49 HG23 ILE 49 -0.869 3.837 -5.252 401 HD11 ILE 49 HD11 ILE 49 -4.609 2.519 -8.266 402 HD12 ILE 49 HD12 ILE 49 -3.923 4.029 -8.857 403 HD13 ILE 49 HD13 ILE 49 -4.910 4.023 -7.400 404 H MET 50 H MET 50 -4.403 3.019 -4.786 405 HA MET 50 HA MET 50 -2.833 2.719 -2.317 406 HB2 MET 50 HB2 MET 50 -4.843 2.291 -0.982 407 HB3 MET 50 HB3 MET 50 -4.898 3.912 -1.681 408 HG2 MET 50 HG2 MET 50 -6.233 2.843 -3.615 409 HG3 MET 50 HG3 MET 50 -6.436 1.453 -2.549 410 HE1 MET 50 HE1 MET 50 -6.520 5.414 -2.336 411 HE2 MET 50 HE2 MET 50 -8.270 5.610 -2.327 412 HE3 MET 50 HE3 MET 50 -7.493 4.783 -3.674 413 H TYR 51 H TYR 51 -2.751 0.634 -1.464 414 HA TYR 51 HA TYR 51 -3.611 -1.534 -3.292 415 HB2 TYR 51 HB2 TYR 51 -1.117 -1.094 -3.180 416 HB3 TYR 51 HB3 TYR 51 -1.189 -1.546 -1.482 417 HD1 TYR 51 HD1 TYR 51 -1.712 -2.778 -4.946 418 HD2 TYR 51 HD2 TYR 51 -1.408 -3.840 -0.794 419 HE1 TYR 51 HE1 TYR 51 -1.576 -5.175 -5.568 420 HE2 TYR 51 HE2 TYR 51 -1.273 -6.236 -1.417 421 HH TYR 51 HH TYR 51 -0.421 -7.467 -3.797 422 H ARG 52 H ARG 52 -5.247 -2.613 -2.341 423 HA ARG 52 HA ARG 52 -5.012 -3.224 0.527 424 HB2 ARG 52 HB2 ARG 52 -7.374 -2.686 0.891 425 HB3 ARG 52 HB3 ARG 52 -6.450 -1.281 0.368 426 HG2 ARG 52 HG2 ARG 52 -7.293 -1.503 -1.906 427 HG3 ARG 52 HG3 ARG 52 -8.124 -3.003 -1.487 428 HD2 ARG 52 HD2 ARG 52 -8.680 -0.326 -0.191 429 HD3 ARG 52 HD3 ARG 52 -9.637 -1.011 -1.501 430 HE ARG 52 HE ARG 52 -9.528 -2.943 0.517 431 HH11 ARG 52 HH11 ARG 52 -10.790 0.316 0.149 432 HH12 ARG 52 HH12 ARG 52 -12.057 0.087 1.307 433 HH21 ARG 52 HH21 ARG 52 -11.194 -3.198 2.023 434 HH22 ARG 52 HH22 ARG 52 -12.283 -1.895 2.360 435 H ASP 53 H ASP 53 -6.025 -5.005 1.274 436 HA ASP 53 HA ASP 53 -6.582 -7.202 1.221 437 HB2 ASP 53 HB2 ASP 53 -8.443 -6.197 -0.936 438 HB3 ASP 53 HB3 ASP 53 -8.627 -7.727 -0.093 439 H GLY 54 H GLY 54 -4.289 -6.606 -0.237 440 HA2 GLY 54 HA2 GLY 54 -2.779 -7.707 -1.591 441 HA3 GLY 54 HA3 GLY 54 -3.984 -8.977 -1.789 442 H ALA 55 H ALA 55 -5.094 -5.816 -2.668 443 HA ALA 55 HA ALA 55 -4.313 -6.112 -5.480 444 HB1 ALA 55 HB1 ALA 55 -6.531 -7.365 -4.936 445 HB2 ALA 55 HB2 ALA 55 -6.450 -6.331 -6.363 446 HB3 ALA 55 HB3 ALA 55 -7.228 -5.746 -4.891 447 H GLU 56 H GLU 56 -4.420 -4.231 -6.688 448 HA GLU 56 HA GLU 56 -4.509 -1.753 -5.173 449 HB2 GLU 56 HB2 GLU 56 -3.770 -0.686 -7.284 450 HB3 GLU 56 HB3 GLU 56 -2.722 -2.024 -6.823 451 HG2 GLU 56 HG2 GLU 56 -3.893 -3.506 -8.412 452 HG3 GLU 56 HG3 GLU 56 -4.977 -2.187 -8.852 453 H VAL 57 H VAL 57 -5.829 0.073 -5.695 454 HA VAL 57 HA VAL 57 -8.551 -0.514 -6.050 455 HB VAL 57 HB VAL 57 -7.724 1.514 -4.900 456 HG11 VAL 57 HG11 VAL 57 -5.856 2.100 -6.337 457 HG12 VAL 57 HG12 VAL 57 -6.982 3.456 -6.282 458 HG13 VAL 57 HG13 VAL 57 -6.945 2.397 -7.693 459 HG21 VAL 57 HG21 VAL 57 -9.425 2.258 -7.305 460 HG22 VAL 57 HG22 VAL 57 -9.420 3.046 -5.727 461 HG23 VAL 57 HG23 VAL 57 -10.049 1.407 -5.892 462 H THR 58 H THR 58 -9.935 -0.470 -7.770 463 HA THR 58 HA THR 58 -8.976 0.333 -10.407 464 HB THR 58 HB THR 58 -8.276 -2.012 -10.260 465 HG1 THR 58 HG1 THR 58 -8.889 -2.250 -12.237 466 HG21 THR 58 HG21 THR 58 -10.040 -2.678 -8.577 467 HG22 THR 58 HG22 THR 58 -9.841 -3.815 -9.913 468 HG23 THR 58 HG23 THR 58 -11.206 -2.697 -9.901 469 H GLY 59 H GLY 59 -10.625 0.588 -11.978 470 HA2 GLY 59 HA2 GLY 59 -13.367 0.066 -11.579 471 HA3 GLY 59 HA3 GLY 59 -13.027 1.714 -11.058 472 H LEU 60 H LEU 60 -14.714 1.727 -13.014 473 HA LEU 60 HA LEU 60 -15.174 2.456 -15.139 474 HB2 LEU 60 HB2 LEU 60 -12.278 3.350 -15.015 475 HB3 LEU 60 HB3 LEU 60 -13.432 3.847 -16.250 476 HG LEU 60 HG LEU 60 -13.899 4.292 -13.283 477 HD11 LEU 60 HD11 LEU 60 -11.857 5.488 -14.128 478 HD12 LEU 60 HD12 LEU 60 -13.145 6.575 -13.609 479 HD13 LEU 60 HD13 LEU 60 -12.877 6.285 -15.327 480 HD21 LEU 60 HD21 LEU 60 -15.948 4.377 -14.583 481 HD22 LEU 60 HD22 LEU 60 -15.177 5.360 -15.828 482 HD23 LEU 60 HD23 LEU 60 -15.482 6.042 -14.231 483 HA PRO 61 HA PRO 61 -14.198 -0.668 -18.188 484 HB2 PRO 61 HB2 PRO 61 -13.404 1.496 -20.098 485 HB3 PRO 61 HB3 PRO 61 -14.528 0.138 -20.332 486 HG2 PRO 61 HG2 PRO 61 -15.498 2.533 -19.966 487 HG3 PRO 61 HG3 PRO 61 -16.220 1.159 -19.102 488 HD2 PRO 61 HD2 PRO 61 -14.352 3.261 -18.046 489 HD3 PRO 61 HD3 PRO 61 -15.785 2.537 -17.271 490 H MET 62 H MET 62 -11.905 2.026 -18.040 491 HA MET 62 HA MET 62 -9.652 0.120 -18.241 492 HB2 MET 62 HB2 MET 62 -9.869 1.507 -20.305 493 HB3 MET 62 HB3 MET 62 -9.710 2.957 -19.317 494 HG2 MET 62 HG2 MET 62 -7.474 2.251 -18.589 495 HG3 MET 62 HG3 MET 62 -7.632 0.750 -19.500 496 HE1 MET 62 HE1 MET 62 -5.411 1.290 -20.327 497 HE2 MET 62 HE2 MET 62 -5.140 2.990 -19.961 498 HE3 MET 62 HE3 MET 62 -5.007 2.427 -21.623 499 H GLU 63 H GLU 63 -8.290 0.168 -16.569 500 HA GLU 63 HA GLU 63 -8.780 1.629 -14.235 501 HB2 GLU 63 HB2 GLU 63 -6.492 0.889 -13.512 502 HB3 GLU 63 HB3 GLU 63 -7.512 -0.421 -14.096 503 HG2 GLU 63 HG2 GLU 63 -6.373 -0.034 -16.395 504 HG3 GLU 63 HG3 GLU 63 -5.176 0.896 -15.501 505 H GLY 64 H GLY 64 -8.976 3.802 -14.545 506 HA2 GLY 64 HA2 GLY 64 -7.226 5.461 -16.002 507 HA3 GLY 64 HA3 GLY 64 -8.332 5.997 -14.741 508 H TYR 65 H TYR 65 -7.287 4.536 -12.578 509 HA TYR 65 HA TYR 65 -4.878 6.116 -12.013 510 HB2 TYR 65 HB2 TYR 65 -6.620 4.442 -10.202 511 HB3 TYR 65 HB3 TYR 65 -5.267 5.438 -9.671 512 HD1 TYR 65 HD1 TYR 65 -8.722 5.449 -10.926 513 HD2 TYR 65 HD2 TYR 65 -5.389 7.898 -9.764 514 HE1 TYR 65 HE1 TYR 65 -10.209 7.429 -10.838 515 HE2 TYR 65 HE2 TYR 65 -6.878 9.880 -9.677 516 HH TYR 65 HH TYR 65 -10.096 9.814 -10.927 517 H GLY 66 H GLY 66 -5.959 2.765 -12.180 518 HA2 GLY 66 HA2 GLY 66 -3.708 1.488 -11.091 519 HA3 GLY 66 HA3 GLY 66 -4.836 0.760 -12.227 520 H GLY 67 H GLY 67 -4.417 2.550 -14.393 521 HA2 GLY 67 HA2 GLY 67 -2.281 1.300 -15.715 522 HA3 GLY 67 HA3 GLY 67 -3.097 2.761 -16.263 523 H ARG 68 H ARG 68 -2.481 4.519 -14.166 524 HA ARG 68 HA ARG 68 0.201 5.260 -14.869 525 HB2 ARG 68 HB2 ARG 68 -1.881 6.391 -13.025 526 HB3 ARG 68 HB3 ARG 68 -0.223 6.966 -12.912 527 HG2 ARG 68 HG2 ARG 68 -1.356 8.446 -14.442 528 HG3 ARG 68 HG3 ARG 68 -0.310 7.417 -15.418 529 HD2 ARG 68 HD2 ARG 68 -2.168 6.033 -16.087 530 HD3 ARG 68 HD3 ARG 68 -3.235 6.813 -14.923 531 HE ARG 68 HE ARG 68 -2.301 8.839 -16.589 532 HH11 ARG 68 HH11 ARG 68 -4.179 5.896 -16.985 533 HH12 ARG 68 HH12 ARG 68 -5.057 6.495 -18.352 534 HH21 ARG 68 HH21 ARG 68 -3.464 9.579 -18.378 535 HH22 ARG 68 HH22 ARG 68 -4.652 8.572 -19.136 536 H ALA 69 H ALA 69 -1.283 3.917 -11.916 537 HA ALA 69 HA ALA 69 1.426 3.283 -10.954 538 HB1 ALA 69 HB1 ALA 69 0.885 3.890 -8.795 539 HB2 ALA 69 HB2 ALA 69 -0.848 3.702 -9.065 540 HB3 ALA 69 HB3 ALA 69 0.001 5.101 -9.725 541 H GLU 70 H GLU 70 1.808 1.218 -10.498 542 HA GLU 70 HA GLU 70 -0.420 -0.591 -9.905 543 HB2 GLU 70 HB2 GLU 70 0.478 -2.318 -11.442 544 HB3 GLU 70 HB3 GLU 70 -0.066 -0.884 -12.306 545 HG2 GLU 70 HG2 GLU 70 2.325 -0.068 -12.290 546 HG3 GLU 70 HG3 GLU 70 2.793 -1.637 -11.637 547 H TRP 71 H TRP 71 0.165 -2.443 -8.733 548 HA TRP 71 HA TRP 71 2.493 -1.993 -7.057 549 HB2 TRP 71 HB2 TRP 71 0.324 -2.418 -6.004 550 HB3 TRP 71 HB3 TRP 71 0.209 -3.959 -6.847 551 HD1 TRP 71 HD1 TRP 71 2.083 -2.225 -3.994 552 HE1 TRP 71 HE1 TRP 71 3.187 -4.031 -2.516 553 HE3 TRP 71 HE3 TRP 71 1.139 -6.379 -6.807 554 HZ2 TRP 71 HZ2 TRP 71 3.613 -6.852 -2.525 555 HZ3 TRP 71 HZ3 TRP 71 1.906 -8.613 -6.050 556 HH2 TRP 71 HH2 TRP 71 3.140 -8.853 -3.913 557 H MET 72 H MET 72 4.341 -2.989 -7.226 558 HA MET 72 HA MET 72 4.491 -5.709 -8.323 559 HB2 MET 72 HB2 MET 72 5.112 -4.131 -10.141 560 HB3 MET 72 HB3 MET 72 6.354 -3.439 -9.100 561 HG2 MET 72 HG2 MET 72 7.495 -5.624 -8.989 562 HG3 MET 72 HG3 MET 72 6.232 -6.342 -9.990 563 HE1 MET 72 HE1 MET 72 9.518 -3.400 -11.129 564 HE2 MET 72 HE2 MET 72 9.058 -4.009 -9.543 565 HE3 MET 72 HE3 MET 72 8.090 -2.752 -10.305 566 H GLU 73 H GLU 73 5.589 -7.005 -6.952 567 HA GLU 73 HA GLU 73 6.756 -5.974 -4.552 568 HB2 GLU 73 HB2 GLU 73 5.602 -8.196 -4.726 569 HB3 GLU 73 HB3 GLU 73 6.986 -8.788 -5.647 570 HG2 GLU 73 HG2 GLU 73 8.488 -8.322 -3.767 571 HG3 GLU 73 HG3 GLU 73 7.166 -7.619 -2.844 572 H ASP 74 H ASP 74 8.870 -5.753 -3.949 573 HA ASP 74 HA ASP 74 10.786 -5.406 -6.070 574 HB2 ASP 74 HB2 ASP 74 12.243 -4.507 -4.360 575 HB3 ASP 74 HB3 ASP 74 10.625 -3.860 -4.127 576 H SER 75 H SER 75 13.140 -6.143 -5.478 577 HA SER 75 HA SER 75 13.247 -8.942 -5.822 578 HB2 SER 75 HB2 SER 75 14.965 -7.476 -6.737 579 HB3 SER 75 HB3 SER 75 15.455 -7.006 -5.113 580 HG SER 75 HG SER 75 16.717 -8.728 -6.089 581 H THR 76 H THR 76 13.797 -6.902 -2.979 582 HA THR 76 HA THR 76 14.977 -8.816 -1.305 583 HB THR 76 HB THR 76 13.202 -6.480 -0.497 584 HG1 THR 76 HG1 THR 76 16.021 -6.649 -0.785 585 HG21 THR 76 HG21 THR 76 15.498 -7.622 1.091 586 HG22 THR 76 HG22 THR 76 13.883 -8.309 1.247 587 HG23 THR 76 HG23 THR 76 14.162 -6.616 1.647 588 H GLU 77 H GLU 77 11.560 -8.082 -1.886 589 HA GLU 77 HA GLU 77 9.609 -9.105 -1.196 590 HB2 GLU 77 HB2 GLU 77 11.358 -11.563 -1.513 591 HB3 GLU 77 HB3 GLU 77 9.597 -11.558 -1.475 592 HG2 GLU 77 HG2 GLU 77 9.560 -10.106 -3.479 593 HG3 GLU 77 HG3 GLU 77 11.322 -10.141 -3.528 594 H GLU 78 H GLU 78 11.492 -8.293 0.976 595 HA GLU 78 HA GLU 78 10.692 -10.224 3.074 596 HB2 GLU 78 HB2 GLU 78 13.170 -9.861 2.719 597 HB3 GLU 78 HB3 GLU 78 12.932 -8.198 3.260 598 HG2 GLU 78 HG2 GLU 78 11.982 -9.030 5.389 599 HG3 GLU 78 HG3 GLU 78 12.255 -10.687 4.854 600 H GLY 79 H GLY 79 8.582 -9.071 2.893 601 HA2 GLY 79 HA2 GLY 79 7.000 -7.748 3.921 602 HA3 GLY 79 HA3 GLY 79 8.246 -7.248 5.060 603 H SER 80 H SER 80 8.823 -6.808 1.653 604 HA SER 80 HA SER 80 8.484 -3.891 1.982 605 HB2 SER 80 HB2 SER 80 10.811 -4.516 1.635 606 HB3 SER 80 HB3 SER 80 10.377 -5.452 0.214 607 HG SER 80 HG SER 80 9.933 -2.661 0.553 608 H VAL 81 H VAL 81 7.381 -2.745 0.508 609 HA VAL 81 HA VAL 81 6.152 -4.190 -1.760 610 HB VAL 81 HB VAL 81 4.150 -2.743 -1.468 611 HG11 VAL 81 HG11 VAL 81 3.369 -3.835 0.688 612 HG12 VAL 81 HG12 VAL 81 5.005 -4.469 0.864 613 HG13 VAL 81 HG13 VAL 81 4.021 -4.939 -0.523 614 HG21 VAL 81 HG21 VAL 81 5.437 -0.930 -0.194 615 HG22 VAL 81 HG22 VAL 81 5.340 -1.979 1.220 616 HG23 VAL 81 HG23 VAL 81 3.863 -1.357 0.482 617 H ALA 82 H ALA 82 5.868 -3.014 -3.675 618 HA ALA 82 HA ALA 82 7.170 -0.369 -3.795 619 HB1 ALA 82 HB1 ALA 82 8.437 -2.637 -4.658 620 HB2 ALA 82 HB2 ALA 82 8.758 -1.014 -5.265 621 HB3 ALA 82 HB3 ALA 82 7.667 -2.083 -6.142 622 H LEU 83 H LEU 83 6.366 1.044 -5.258 623 HA LEU 83 HA LEU 83 3.948 0.226 -6.745 624 HB2 LEU 83 HB2 LEU 83 3.447 1.772 -4.868 625 HB3 LEU 83 HB3 LEU 83 4.595 2.932 -5.524 626 HG LEU 83 HG LEU 83 3.197 2.977 -7.660 627 HD11 LEU 83 HD11 LEU 83 0.874 2.146 -7.492 628 HD12 LEU 83 HD12 LEU 83 1.245 1.438 -5.920 629 HD13 LEU 83 HD13 LEU 83 2.043 0.833 -7.369 630 HD21 LEU 83 HD21 LEU 83 1.659 4.564 -6.779 631 HD22 LEU 83 HD22 LEU 83 3.029 4.616 -5.673 632 HD23 LEU 83 HD23 LEU 83 1.568 3.740 -5.223 633 H LYS 84 H LYS 84 4.271 0.229 -8.849 634 HA LYS 84 HA LYS 84 6.465 1.771 -10.009 635 HB2 LYS 84 HB2 LYS 84 6.099 -0.609 -10.652 636 HB3 LYS 84 HB3 LYS 84 4.539 -0.159 -11.335 637 HG2 LYS 84 HG2 LYS 84 5.606 1.303 -12.964 638 HG3 LYS 84 HG3 LYS 84 7.178 1.082 -12.199 639 HD2 LYS 84 HD2 LYS 84 7.161 -0.353 -14.124 640 HD3 LYS 84 HD3 LYS 84 6.954 -1.403 -12.723 641 HE2 LYS 84 HE2 LYS 84 4.537 -1.485 -13.100 642 HE3 LYS 84 HE3 LYS 84 4.683 -0.355 -14.445 643 HZ1 LYS 84 HZ1 LYS 84 6.146 -2.927 -14.386 644 HZ2 LYS 84 HZ2 LYS 84 5.843 -1.917 -15.718 645 HZ3 LYS 84 HZ3 LYS 84 4.576 -2.804 -15.014 646 H ILE 85 H ILE 85 6.088 3.808 -10.576 647 HA ILE 85 HA ILE 85 3.388 4.581 -11.501 648 HB ILE 85 HB ILE 85 4.158 5.695 -9.407 649 HG12 ILE 85 HG12 ILE 85 3.917 8.106 -10.291 650 HG13 ILE 85 HG13 ILE 85 3.846 7.394 -11.903 651 HG21 ILE 85 HG21 ILE 85 6.569 5.672 -9.819 652 HG22 ILE 85 HG22 ILE 85 6.016 7.318 -9.507 653 HG23 ILE 85 HG23 ILE 85 6.368 6.805 -11.157 654 HD11 ILE 85 HD11 ILE 85 2.017 6.536 -9.647 655 HD12 ILE 85 HD12 ILE 85 1.866 6.156 -11.362 656 HD13 ILE 85 HD13 ILE 85 1.592 7.803 -10.800 657 H ARG 86 H ARG 86 3.151 5.439 -13.532 658 HA ARG 86 HA ARG 86 5.615 5.636 -15.158 659 HB2 ARG 86 HB2 ARG 86 2.770 5.125 -16.058 660 HB3 ARG 86 HB3 ARG 86 4.184 5.197 -17.108 661 HG2 ARG 86 HG2 ARG 86 5.200 3.312 -15.831 662 HG3 ARG 86 HG3 ARG 86 3.726 3.204 -14.866 663 HD2 ARG 86 HD2 ARG 86 3.541 1.562 -16.594 664 HD3 ARG 86 HD3 ARG 86 2.451 2.868 -17.023 665 HE ARG 86 HE ARG 86 5.080 2.317 -18.283 666 HH11 ARG 86 HH11 ARG 86 1.995 4.046 -18.384 667 HH12 ARG 86 HH12 ARG 86 2.230 4.566 -20.013 668 HH21 ARG 86 HH21 ARG 86 5.304 3.024 -20.406 669 HH22 ARG 86 HH22 ARG 86 4.078 3.999 -21.147 670 H GLN 87 H GLN 87 5.775 7.223 -16.815 671 HA GLN 87 HA GLN 87 5.782 9.366 -17.587 672 HB2 GLN 87 HB2 GLN 87 2.886 9.080 -16.761 673 HB3 GLN 87 HB3 GLN 87 3.499 10.582 -17.455 674 HG2 GLN 87 HG2 GLN 87 2.646 9.257 -19.284 675 HG3 GLN 87 HG3 GLN 87 4.405 9.219 -19.388 676 HE21 GLN 87 HE21 GLN 87 5.441 7.156 -19.226 677 HE22 GLN 87 HE22 GLN 87 4.600 5.720 -18.929 678 H VAL 88 H VAL 88 7.182 9.296 -15.544 679 HA VAL 88 HA VAL 88 6.401 10.803 -13.251 680 HB VAL 88 HB VAL 88 9.165 10.075 -14.273 681 HG11 VAL 88 HG11 VAL 88 8.200 11.184 -11.632 682 HG12 VAL 88 HG12 VAL 88 9.473 11.812 -12.680 683 HG13 VAL 88 HG13 VAL 88 9.724 10.312 -11.787 684 HG21 VAL 88 HG21 VAL 88 7.651 8.702 -12.037 685 HG22 VAL 88 HG22 VAL 88 9.024 8.116 -12.979 686 HG23 VAL 88 HG23 VAL 88 7.433 8.204 -13.717 687 H GLN 89 H GLN 89 6.894 12.898 -12.673 688 HA GLN 89 HA GLN 89 8.231 14.661 -14.549 689 HB2 GLN 89 HB2 GLN 89 6.046 16.294 -14.087 690 HB3 GLN 89 HB3 GLN 89 6.329 15.393 -15.565 691 HG2 GLN 89 HG2 GLN 89 4.106 14.863 -14.997 692 HG3 GLN 89 HG3 GLN 89 4.980 13.476 -14.368 693 HE21 GLN 89 HE21 GLN 89 5.858 14.086 -11.945 694 HE22 GLN 89 HE22 GLN 89 4.639 14.708 -10.941 695 HA PRO 90 HA PRO 90 9.910 17.118 -11.336 696 HB2 PRO 90 HB2 PRO 90 8.152 19.442 -12.020 697 HB3 PRO 90 HB3 PRO 90 9.909 19.389 -11.758 698 HG2 PRO 90 HG2 PRO 90 9.011 19.524 -14.199 699 HG3 PRO 90 HG3 PRO 90 10.316 18.380 -13.819 700 HD2 PRO 90 HD2 PRO 90 7.406 17.826 -14.270 701 HD3 PRO 90 HD3 PRO 90 8.823 16.881 -14.796 702 H SER 91 H SER 91 6.355 17.596 -11.468 703 HA SER 91 HA SER 91 6.031 18.378 -8.766 704 HB2 SER 91 HB2 SER 91 3.670 17.813 -9.044 705 HB3 SER 91 HB3 SER 91 4.258 18.661 -10.466 706 HG SER 91 HG SER 91 3.374 16.076 -10.150 707 H ASP 92 H ASP 92 6.419 15.242 -10.276 708 HA ASP 92 HA ASP 92 5.640 13.614 -8.058 709 HB2 ASP 92 HB2 ASP 92 5.906 12.779 -10.426 710 HB3 ASP 92 HB3 ASP 92 7.647 12.926 -10.224 711 H ASP 93 H ASP 93 8.619 15.190 -9.074 712 HA ASP 93 HA ASP 93 10.562 14.024 -7.482 713 HB2 ASP 93 HB2 ASP 93 10.791 15.972 -9.131 714 HB3 ASP 93 HB3 ASP 93 10.321 17.010 -7.797 715 H GLY 94 H GLY 94 10.889 13.791 -5.372 716 HA2 GLY 94 HA2 GLY 94 10.890 15.318 -3.253 717 HA3 GLY 94 HA3 GLY 94 9.143 15.213 -3.484 718 H GLN 95 H GLN 95 8.998 14.204 -1.422 719 HA GLN 95 HA GLN 95 9.902 11.387 -1.344 720 HB2 GLN 95 HB2 GLN 95 9.255 13.225 0.979 721 HB3 GLN 95 HB3 GLN 95 9.767 11.545 1.108 722 HG2 GLN 95 HG2 GLN 95 11.763 12.762 1.439 723 HG3 GLN 95 HG3 GLN 95 11.848 12.281 -0.253 724 HE21 GLN 95 HE21 GLN 95 10.204 14.996 1.486 725 HE22 GLN 95 HE22 GLN 95 10.821 16.201 0.464 726 H TYR 96 H TYR 96 8.454 9.820 -0.385 727 HA TYR 96 HA TYR 96 5.625 10.657 -0.385 728 HB2 TYR 96 HB2 TYR 96 4.923 8.900 -1.772 729 HB3 TYR 96 HB3 TYR 96 6.516 9.188 -2.452 730 HD1 TYR 96 HD1 TYR 96 4.476 7.019 -0.278 731 HD2 TYR 96 HD2 TYR 96 8.283 7.503 -2.194 732 HE1 TYR 96 HE1 TYR 96 5.028 4.664 0.229 733 HE2 TYR 96 HE2 TYR 96 8.829 5.143 -1.695 734 HH TYR 96 HH TYR 96 8.099 3.484 0.068 735 H TRP 97 H TRP 97 4.312 9.800 1.174 736 HA TRP 97 HA TRP 97 5.692 8.460 3.384 737 HB2 TRP 97 HB2 TRP 97 3.039 9.895 3.188 738 HB3 TRP 97 HB3 TRP 97 3.551 9.006 4.622 739 HD1 TRP 97 HD1 TRP 97 5.270 10.117 6.196 740 HE1 TRP 97 HE1 TRP 97 6.486 12.392 6.219 741 HE3 TRP 97 HE3 TRP 97 4.094 11.794 1.519 742 HZ2 TRP 97 HZ2 TRP 97 6.908 14.621 4.483 743 HZ3 TRP 97 HZ3 TRP 97 4.921 13.998 0.729 744 HH2 TRP 97 HH2 TRP 97 6.325 15.409 2.207 745 H CYS 98 H CYS 98 5.584 6.357 3.570 746 HA CYS 98 HA CYS 98 3.542 4.795 2.173 747 HB2 CYS 98 HB2 CYS 98 5.891 4.032 2.102 748 HB3 CYS 98 HB3 CYS 98 5.936 3.985 3.856 749 H ARG 99 H ARG 99 1.605 4.656 3.208 750 HA ARG 99 HA ARG 99 1.571 4.630 6.145 751 HB2 ARG 99 HB2 ARG 99 0.265 6.351 4.805 752 HB3 ARG 99 HB3 ARG 99 -0.758 5.015 4.278 753 HG2 ARG 99 HG2 ARG 99 -1.366 4.500 6.570 754 HG3 ARG 99 HG3 ARG 99 -0.264 5.734 7.177 755 HD2 ARG 99 HD2 ARG 99 -2.403 6.784 7.186 756 HD3 ARG 99 HD3 ARG 99 -1.599 7.406 5.759 757 HE ARG 99 HE ARG 99 -3.055 5.122 4.995 758 HH11 ARG 99 HH11 ARG 99 -3.663 8.388 6.144 759 HH12 ARG 99 HH12 ARG 99 -5.218 8.500 5.388 760 HH21 ARG 99 HH21 ARG 99 -5.124 5.293 4.066 761 HH22 ARG 99 HH22 ARG 99 -6.038 6.755 4.220 762 H PHE 100 H PHE 100 1.160 2.840 7.209 763 HA PHE 100 HA PHE 100 -0.059 0.543 5.802 764 HB2 PHE 100 HB2 PHE 100 2.175 0.155 6.843 765 HB3 PHE 100 HB3 PHE 100 1.512 0.616 8.408 766 HD1 PHE 100 HD1 PHE 100 1.218 -1.864 5.638 767 HD2 PHE 100 HD2 PHE 100 0.265 -0.947 9.726 768 HE1 PHE 100 HE1 PHE 100 0.420 -4.187 5.975 769 HE2 PHE 100 HE2 PHE 100 -0.533 -3.271 10.060 770 HZ PHE 100 HZ PHE 100 -0.456 -4.890 8.186 771 H GLN 101 H GLN 101 -2.156 0.252 6.156 772 HA GLN 101 HA GLN 101 -3.337 1.329 8.633 773 HB2 GLN 101 HB2 GLN 101 -4.083 2.119 6.250 774 HB3 GLN 101 HB3 GLN 101 -4.954 0.587 6.219 775 HG2 GLN 101 HG2 GLN 101 -5.227 2.587 8.477 776 HG3 GLN 101 HG3 GLN 101 -6.302 2.553 7.082 777 HE21 GLN 101 HE21 GLN 101 -6.921 -0.039 6.650 778 HE22 GLN 101 HE22 GLN 101 -7.561 -0.776 8.038 779 H GLU 102 H GLU 102 -4.024 -0.007 10.089 780 HA GLU 102 HA GLU 102 -5.209 -2.574 9.363 781 HB2 GLU 102 HB2 GLU 102 -2.781 -3.010 9.862 782 HB3 GLU 102 HB3 GLU 102 -3.044 -2.362 11.480 783 HG2 GLU 102 HG2 GLU 102 -3.215 -4.798 11.558 784 HG3 GLU 102 HG3 GLU 102 -4.803 -4.096 11.854 785 H GLY 103 H GLY 103 -7.063 -2.816 10.454 786 HA2 GLY 103 HA2 GLY 103 -8.761 -2.476 11.973 787 HA3 GLY 103 HA3 GLY 103 -7.497 -2.245 13.179 788 H ASP 104 H ASP 104 -7.958 -0.421 14.252 789 HA ASP 104 HA ASP 104 -8.917 1.937 12.765 790 HB2 ASP 104 HB2 ASP 104 -8.944 1.396 15.738 791 HB3 ASP 104 HB3 ASP 104 -9.630 2.810 14.939 792 H TYR 105 H TYR 105 -5.974 0.810 13.506 793 HA TYR 105 HA TYR 105 -4.875 3.490 14.122 794 HB2 TYR 105 HB2 TYR 105 -4.736 1.990 16.098 795 HB3 TYR 105 HB3 TYR 105 -3.817 0.834 15.140 796 HD1 TYR 105 HD1 TYR 105 -3.787 4.301 16.509 797 HD2 TYR 105 HD2 TYR 105 -1.473 1.134 14.756 798 HE1 TYR 105 HE1 TYR 105 -1.700 5.533 17.036 799 HE2 TYR 105 HE2 TYR 105 0.613 2.371 15.284 800 HH TYR 105 HH TYR 105 1.198 4.914 15.665 801 H TRP 106 H TRP 106 -3.146 4.163 12.911 802 HA TRP 106 HA TRP 106 -1.745 2.271 11.171 803 HB2 TRP 106 HB2 TRP 106 -2.151 3.620 9.133 804 HB3 TRP 106 HB3 TRP 106 -3.662 3.000 9.811 805 HD1 TRP 106 HD1 TRP 106 -1.718 6.205 9.233 806 HE1 TRP 106 HE1 TRP 106 -3.251 8.226 9.727 807 HE3 TRP 106 HE3 TRP 106 -5.748 3.794 11.238 808 HZ2 TRP 106 HZ2 TRP 106 -5.837 8.746 10.824 809 HZ3 TRP 106 HZ3 TRP 106 -7.732 5.074 11.998 810 HH2 TRP 106 HH2 TRP 106 -7.780 7.546 11.792 811 H ARG 107 H ARG 107 0.148 3.235 10.106 812 HA ARG 107 HA ARG 107 1.131 5.772 11.197 813 HB2 ARG 107 HB2 ARG 107 1.812 3.941 12.807 814 HB3 ARG 107 HB3 ARG 107 2.779 3.254 11.503 815 HG2 ARG 107 HG2 ARG 107 4.036 5.367 11.304 816 HG3 ARG 107 HG3 ARG 107 3.068 6.072 12.599 817 HD2 ARG 107 HD2 ARG 107 3.863 4.259 14.120 818 HD3 ARG 107 HD3 ARG 107 4.908 3.678 12.829 819 HE ARG 107 HE ARG 107 5.321 6.043 14.471 820 HH11 ARG 107 HH11 ARG 107 6.165 4.451 11.456 821 HH12 ARG 107 HH12 ARG 107 7.656 5.315 11.277 822 HH21 ARG 107 HH21 ARG 107 7.280 7.135 14.208 823 HH22 ARG 107 HH22 ARG 107 8.282 6.825 12.829 824 H GLU 108 H GLU 108 2.783 6.732 9.938 825 HA GLU 108 HA GLU 108 3.565 5.270 7.513 826 HB2 GLU 108 HB2 GLU 108 3.068 7.232 6.096 827 HB3 GLU 108 HB3 GLU 108 1.620 6.584 6.861 828 HG2 GLU 108 HG2 GLU 108 1.778 8.322 8.626 829 HG3 GLU 108 HG3 GLU 108 3.209 8.983 7.839 830 H THR 109 H THR 109 5.422 5.910 6.471 831 HA THR 109 HA THR 109 7.122 7.935 7.758 832 HB THR 109 HB THR 109 8.044 5.121 7.080 833 HG1 THR 109 HG1 THR 109 6.779 5.267 8.974 834 HG21 THR 109 HG21 THR 109 9.862 6.665 6.739 835 HG22 THR 109 HG22 THR 109 10.117 5.909 8.313 836 HG23 THR 109 HG23 THR 109 9.465 7.545 8.216 837 H SER 110 H SER 110 8.492 9.028 6.349 838 HA SER 110 HA SER 110 7.715 8.942 3.585 839 HB2 SER 110 HB2 SER 110 9.040 10.939 3.328 840 HB3 SER 110 HB3 SER 110 8.112 11.050 4.823 841 HG SER 110 HG SER 110 10.289 11.627 5.159 842 H VAL 111 H VAL 111 9.178 8.930 1.797 843 HA VAL 111 HA VAL 111 11.706 7.449 2.139 844 HB VAL 111 HB VAL 111 9.576 6.818 0.079 845 HG11 VAL 111 HG11 VAL 111 11.128 4.827 -0.370 846 HG12 VAL 111 HG12 VAL 111 12.346 5.694 0.566 847 HG13 VAL 111 HG13 VAL 111 11.709 6.399 -0.919 848 HG21 VAL 111 HG21 VAL 111 10.523 5.294 2.529 849 HG22 VAL 111 HG22 VAL 111 9.500 4.592 1.277 850 HG23 VAL 111 HG23 VAL 111 8.906 5.941 2.245 851 H LEU 112 H LEU 112 13.268 7.863 0.445 852 HA LEU 112 HA LEU 112 12.938 10.540 -0.671 853 HB2 LEU 112 HB2 LEU 112 15.343 8.706 -0.602 854 HB3 LEU 112 HB3 LEU 112 15.354 10.372 -1.176 855 HG LEU 112 HG LEU 112 14.510 9.564 1.632 856 HD11 LEU 112 HD11 LEU 112 16.740 10.498 2.293 857 HD12 LEU 112 HD12 LEU 112 17.161 10.602 0.584 858 HD13 LEU 112 HD13 LEU 112 16.866 9.028 1.326 859 HD21 LEU 112 HD21 LEU 112 15.067 12.213 0.251 860 HD22 LEU 112 HD22 LEU 112 15.020 12.061 2.007 861 HD23 LEU 112 HD23 LEU 112 13.580 11.707 1.053 862 H LEU 113 H LEU 113 12.469 11.017 -2.716 863 HA LEU 113 HA LEU 113 13.214 9.141 -4.880 864 HB2 LEU 113 HB2 LEU 113 10.611 10.714 -4.941 865 HB3 LEU 113 HB3 LEU 113 11.156 9.482 -6.080 866 HG LEU 113 HG LEU 113 10.478 8.930 -3.175 867 HD11 LEU 113 HD11 LEU 113 8.880 8.196 -5.644 868 HD12 LEU 113 HD12 LEU 113 8.573 9.677 -4.741 869 HD13 LEU 113 HD13 LEU 113 8.368 8.119 -3.963 870 HD21 LEU 113 HD21 LEU 113 10.631 6.584 -3.833 871 HD22 LEU 113 HD22 LEU 113 12.125 7.371 -4.341 872 HD23 LEU 113 HD23 LEU 113 10.865 7.027 -5.526 873 H GLN 114 H GLN 114 14.505 10.214 -6.296 874 HA GLN 114 HA GLN 114 14.074 13.122 -6.641 875 HB2 GLN 114 HB2 GLN 114 16.196 12.312 -5.265 876 HB3 GLN 114 HB3 GLN 114 16.847 11.993 -6.871 877 HG2 GLN 114 HG2 GLN 114 17.459 14.271 -6.095 878 HG3 GLN 114 HG3 GLN 114 16.445 14.335 -7.529 879 HE21 GLN 114 HE21 GLN 114 14.764 13.570 -4.510 880 HE22 GLN 114 HE22 GLN 114 14.070 15.102 -4.285 881 H VAL 115 H VAL 115 13.087 13.136 -8.540 882 HA VAL 115 HA VAL 115 13.882 11.365 -10.682 883 HB VAL 115 HB VAL 115 12.022 12.373 -11.941 884 HG11 VAL 115 HG11 VAL 115 11.513 11.603 -9.064 885 HG12 VAL 115 HG12 VAL 115 11.360 10.598 -10.502 886 HG13 VAL 115 HG13 VAL 115 10.196 11.887 -10.200 887 HG21 VAL 115 HG21 VAL 115 12.115 14.685 -11.306 888 HG22 VAL 115 HG22 VAL 115 11.974 14.297 -9.593 889 HG23 VAL 115 HG23 VAL 115 10.592 14.075 -10.664 890 H ALA 116 H ALA 116 15.082 11.779 -12.421 891 HA ALA 116 HA ALA 116 16.735 14.106 -12.506 892 HB1 ALA 116 HB1 ALA 116 16.434 11.613 -14.085 893 HB2 ALA 116 HB2 ALA 116 17.886 12.362 -13.425 894 HB3 ALA 116 HB3 ALA 116 17.177 12.982 -14.914 895 H ALA 117 H ALA 117 16.691 15.839 -13.920 896 HA ALA 117 HA ALA 117 14.093 16.457 -15.089 897 HB1 ALA 117 HB1 ALA 117 16.553 18.207 -15.084 898 HB2 ALA 117 HB2 ALA 117 15.449 18.104 -13.714 899 HB3 ALA 117 HB3 ALA 117 14.870 18.701 -15.268 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 2.044 2.360 17.204 2 H2 MET 1 HT2 MET 1 0.765 1.250 17.068 3 H3 MET 1 HT3 MET 1 1.994 1.283 15.895 4 HA MET 1 HA MET 1 3.609 0.656 17.662 5 HB2 MET 1 HB2 MET 1 2.070 1.439 19.516 6 HB3 MET 1 HB3 MET 1 1.083 0.009 19.208 7 HG2 MET 1 HG2 MET 1 3.038 -1.438 19.649 8 HG3 MET 1 HG3 MET 1 4.017 -0.009 19.975 9 HE1 MET 1 HE1 MET 1 0.222 -0.945 20.994 10 HE2 MET 1 HE2 MET 1 0.653 -1.850 22.442 11 HE3 MET 1 HE3 MET 1 1.304 -2.344 20.882 12 H ASP 2 H ASP 2 0.402 -0.619 16.818 13 HA ASP 2 HA ASP 2 1.019 -3.360 16.849 14 HB2 ASP 2 HB2 ASP 2 -1.040 -1.780 15.312 15 HB3 ASP 2 HB3 ASP 2 -0.945 -3.538 15.252 16 H PHE 3 H PHE 3 1.314 -0.921 14.285 17 HA PHE 3 HA PHE 3 2.972 -2.835 12.759 18 HB2 PHE 3 HB2 PHE 3 0.852 -1.013 11.600 19 HB3 PHE 3 HB3 PHE 3 2.003 -1.958 10.655 20 HD1 PHE 3 HD1 PHE 3 -1.058 -2.046 12.642 21 HD2 PHE 3 HD2 PHE 3 1.948 -4.455 10.741 22 HE1 PHE 3 HE1 PHE 3 -2.541 -4.025 12.804 23 HE2 PHE 3 HE2 PHE 3 0.464 -6.436 10.902 24 HZ PHE 3 HZ PHE 3 -1.781 -6.220 11.934 25 H ARG 4 H ARG 4 4.624 -1.918 11.476 26 HA ARG 4 HA ARG 4 5.094 0.955 11.713 27 HB2 ARG 4 HB2 ARG 4 6.186 -0.284 13.681 28 HB3 ARG 4 HB3 ARG 4 7.286 -0.961 12.477 29 HG2 ARG 4 HG2 ARG 4 7.441 1.699 11.787 30 HG3 ARG 4 HG3 ARG 4 7.071 1.846 13.500 31 HD2 ARG 4 HD2 ARG 4 9.335 0.246 12.315 32 HD3 ARG 4 HD3 ARG 4 9.495 1.824 13.077 33 HE ARG 4 HE ARG 4 9.168 -0.728 14.429 34 HH11 ARG 4 HH11 ARG 4 8.730 2.745 14.749 35 HH12 ARG 4 HH12 ARG 4 8.796 2.718 16.480 36 HH21 ARG 4 HH21 ARG 4 9.275 -0.715 16.689 37 HH22 ARG 4 HH22 ARG 4 9.104 0.768 17.568 38 H VAL 5 H VAL 5 6.409 1.794 10.125 39 HA VAL 5 HA VAL 5 7.490 -0.084 8.145 40 HB VAL 5 HB VAL 5 5.298 0.864 7.429 41 HG11 VAL 5 HG11 VAL 5 6.708 3.467 6.901 42 HG12 VAL 5 HG12 VAL 5 5.865 3.190 8.430 43 HG13 VAL 5 HG13 VAL 5 4.982 3.107 6.905 44 HG21 VAL 5 HG21 VAL 5 6.157 1.558 5.147 45 HG22 VAL 5 HG22 VAL 5 6.760 0.018 5.738 46 HG23 VAL 5 HG23 VAL 5 7.783 1.451 5.807 47 H VAL 6 H VAL 6 9.312 0.668 6.945 48 HA VAL 6 HA VAL 6 10.786 2.795 8.376 49 HB VAL 6 HB VAL 6 11.884 0.505 6.709 50 HG11 VAL 6 HG11 VAL 6 14.083 1.220 7.484 51 HG12 VAL 6 HG12 VAL 6 13.358 2.518 8.434 52 HG13 VAL 6 HG13 VAL 6 13.291 2.571 6.673 53 HG21 VAL 6 HG21 VAL 6 11.026 -0.359 8.796 54 HG22 VAL 6 HG22 VAL 6 11.720 0.988 9.697 55 HG23 VAL 6 HG23 VAL 6 12.775 -0.226 8.977 56 H GLY 7 H GLY 7 11.104 4.619 7.406 57 HA2 GLY 7 HA2 GLY 7 10.597 4.929 4.533 58 HA3 GLY 7 HA3 GLY 7 10.659 6.203 5.742 59 HA PRO 8 HA PRO 8 15.074 7.107 5.351 60 HB2 PRO 8 HB2 PRO 8 15.949 4.882 7.152 61 HB3 PRO 8 HB3 PRO 8 16.497 6.571 7.100 62 HG2 PRO 8 HG2 PRO 8 14.829 5.769 8.976 63 HG3 PRO 8 HG3 PRO 8 14.627 7.354 8.204 64 HD2 PRO 8 HD2 PRO 8 12.995 4.884 7.857 65 HD3 PRO 8 HD3 PRO 8 12.517 6.592 7.709 66 H ASN 9 H ASN 9 15.274 6.478 3.234 67 HA ASN 9 HA ASN 9 16.673 3.959 2.707 68 HB2 ASN 9 HB2 ASN 9 14.217 4.871 1.197 69 HB3 ASN 9 HB3 ASN 9 15.235 3.504 0.755 70 HD21 ASN 9 HD21 ASN 9 12.306 3.811 1.876 71 HD22 ASN 9 HD22 ASN 9 12.264 2.649 3.113 72 H LEU 10 H LEU 10 17.583 3.963 0.493 73 HA LEU 10 HA LEU 10 18.896 6.437 0.037 74 HB2 LEU 10 HB2 LEU 10 20.009 5.308 -1.932 75 HB3 LEU 10 HB3 LEU 10 20.257 4.519 -0.391 76 HG LEU 10 HG LEU 10 19.819 3.018 -2.428 77 HD11 LEU 10 HD11 LEU 10 17.778 2.274 -0.384 78 HD12 LEU 10 HD12 LEU 10 19.443 2.495 0.146 79 HD13 LEU 10 HD13 LEU 10 19.070 1.331 -1.118 80 HD21 LEU 10 HD21 LEU 10 16.878 3.610 -1.983 81 HD22 LEU 10 HD22 LEU 10 17.619 2.683 -3.286 82 HD23 LEU 10 HD23 LEU 10 17.809 4.435 -3.235 83 HA PRO 11 HA PRO 11 16.257 8.585 -2.763 84 HB2 PRO 11 HB2 PRO 11 18.583 9.122 -4.538 85 HB3 PRO 11 HB3 PRO 11 17.480 10.251 -3.743 86 HG2 PRO 11 HG2 PRO 11 19.933 9.977 -2.853 87 HG3 PRO 11 HG3 PRO 11 18.576 10.132 -1.717 88 HD2 PRO 11 HD2 PRO 11 20.071 7.652 -2.523 89 HD3 PRO 11 HD3 PRO 11 19.509 8.164 -0.911 90 H ILE 12 H ILE 12 14.970 8.097 -4.520 91 HA ILE 12 HA ILE 12 15.931 5.963 -6.355 92 HB ILE 12 HB ILE 12 13.046 6.816 -5.811 93 HG12 ILE 12 HG12 ILE 12 14.428 4.223 -5.031 94 HG13 ILE 12 HG13 ILE 12 14.335 5.595 -3.928 95 HG21 ILE 12 HG21 ILE 12 13.676 5.843 -8.117 96 HG22 ILE 12 HG22 ILE 12 12.395 5.018 -7.235 97 HG23 ILE 12 HG23 ILE 12 14.019 4.338 -7.262 98 HD11 ILE 12 HD11 ILE 12 11.787 5.533 -4.365 99 HD12 ILE 12 HD12 ILE 12 12.464 4.256 -3.355 100 HD13 ILE 12 HD13 ILE 12 12.076 3.929 -5.044 101 H LEU 13 H LEU 13 16.567 6.632 -8.288 102 HA LEU 13 HA LEU 13 15.770 9.295 -9.203 103 HB2 LEU 13 HB2 LEU 13 18.242 8.340 -8.893 104 HB3 LEU 13 HB3 LEU 13 17.963 7.764 -10.534 105 HG LEU 13 HG LEU 13 17.413 10.630 -9.745 106 HD11 LEU 13 HD11 LEU 13 19.996 9.571 -10.935 107 HD12 LEU 13 HD12 LEU 13 19.800 10.026 -9.242 108 HD13 LEU 13 HD13 LEU 13 19.636 11.244 -10.507 109 HD21 LEU 13 HD21 LEU 13 16.431 10.062 -11.851 110 HD22 LEU 13 HD22 LEU 13 17.844 9.132 -12.346 111 HD23 LEU 13 HD23 LEU 13 17.929 10.891 -12.262 112 H ALA 14 H ALA 14 14.398 9.556 -10.800 113 HA ALA 14 HA ALA 14 14.293 7.619 -13.000 114 HB1 ALA 14 HB1 ALA 14 11.697 8.664 -11.944 115 HB2 ALA 14 HB2 ALA 14 12.446 7.280 -11.145 116 HB3 ALA 14 HB3 ALA 14 12.025 7.191 -12.855 117 H LYS 15 H LYS 15 13.970 8.548 -14.966 118 HA LYS 15 HA LYS 15 14.068 11.449 -15.125 119 HB2 LYS 15 HB2 LYS 15 14.150 9.297 -17.248 120 HB3 LYS 15 HB3 LYS 15 14.307 11.026 -17.576 121 HG2 LYS 15 HG2 LYS 15 16.276 11.133 -16.104 122 HG3 LYS 15 HG3 LYS 15 16.126 9.408 -15.766 123 HD2 LYS 15 HD2 LYS 15 16.431 8.920 -18.172 124 HD3 LYS 15 HD3 LYS 15 16.612 10.646 -18.491 125 HE2 LYS 15 HE2 LYS 15 18.396 9.044 -16.634 126 HE3 LYS 15 HE3 LYS 15 18.809 9.480 -18.293 127 HZ1 LYS 15 HZ1 LYS 15 19.774 11.116 -16.937 128 HZ2 LYS 15 HZ2 LYS 15 18.376 11.285 -15.985 129 HZ3 LYS 15 HZ3 LYS 15 18.390 11.848 -17.588 130 H VAL 16 H VAL 16 12.557 12.789 -16.153 131 HA VAL 16 HA VAL 16 9.834 12.114 -15.842 132 HB VAL 16 HB VAL 16 10.618 14.443 -15.778 133 HG11 VAL 16 HG11 VAL 16 12.352 14.361 -17.488 134 HG12 VAL 16 HG12 VAL 16 11.176 15.599 -17.925 135 HG13 VAL 16 HG13 VAL 16 11.151 14.035 -18.738 136 HG21 VAL 16 HG21 VAL 16 8.819 15.454 -17.098 137 HG22 VAL 16 HG22 VAL 16 8.240 13.942 -16.398 138 HG23 VAL 16 HG23 VAL 16 8.700 14.006 -18.098 139 H GLY 17 H GLY 17 8.340 11.296 -17.178 140 HA2 GLY 17 HA2 GLY 17 7.379 10.656 -19.266 141 HA3 GLY 17 HA3 GLY 17 8.969 10.782 -20.013 142 H GLU 18 H GLU 18 10.085 9.316 -17.567 143 HA GLU 18 HA GLU 18 9.490 6.574 -18.452 144 HB2 GLU 18 HB2 GLU 18 11.768 7.669 -16.771 145 HB3 GLU 18 HB3 GLU 18 11.557 5.975 -17.209 146 HG2 GLU 18 HG2 GLU 18 11.704 6.561 -19.595 147 HG3 GLU 18 HG3 GLU 18 11.898 8.261 -19.173 148 H ASP 19 H ASP 19 9.294 4.933 -16.705 149 HA ASP 19 HA ASP 19 7.456 5.871 -14.709 150 HB2 ASP 19 HB2 ASP 19 7.316 3.488 -14.037 151 HB3 ASP 19 HB3 ASP 19 7.080 3.712 -15.772 152 H ALA 20 H ALA 20 7.673 5.486 -12.400 153 HA ALA 20 HA ALA 20 10.468 5.553 -11.437 154 HB1 ALA 20 HB1 ALA 20 9.821 7.262 -9.797 155 HB2 ALA 20 HB2 ALA 20 8.189 7.288 -10.461 156 HB3 ALA 20 HB3 ALA 20 9.547 7.825 -11.445 157 H LEU 21 H LEU 21 10.725 4.990 -9.157 158 HA LEU 21 HA LEU 21 8.759 2.924 -8.362 159 HB2 LEU 21 HB2 LEU 21 11.058 2.155 -9.039 160 HB3 LEU 21 HB3 LEU 21 11.704 3.060 -7.677 161 HG LEU 21 HG LEU 21 10.187 1.720 -6.155 162 HD11 LEU 21 HD11 LEU 21 8.508 0.931 -7.679 163 HD12 LEU 21 HD12 LEU 21 9.404 -0.491 -7.144 164 HD13 LEU 21 HD13 LEU 21 9.719 0.202 -8.735 165 HD21 LEU 21 HD21 LEU 21 12.199 0.182 -7.831 166 HD22 LEU 21 HD22 LEU 21 11.606 -0.325 -6.250 167 HD23 LEU 21 HD23 LEU 21 12.563 1.148 -6.402 168 H LEU 22 H LEU 22 7.678 3.217 -6.550 169 HA LEU 22 HA LEU 22 8.772 4.989 -4.425 170 HB2 LEU 22 HB2 LEU 22 5.882 4.159 -4.909 171 HB3 LEU 22 HB3 LEU 22 6.446 5.268 -3.663 172 HG LEU 22 HG LEU 22 6.778 5.759 -6.647 173 HD11 LEU 22 HD11 LEU 22 4.754 6.917 -4.705 174 HD12 LEU 22 HD12 LEU 22 4.396 5.749 -5.978 175 HD13 LEU 22 HD13 LEU 22 4.940 7.373 -6.399 176 HD21 LEU 22 HD21 LEU 22 8.418 6.982 -5.329 177 HD22 LEU 22 HD22 LEU 22 7.178 7.496 -4.183 178 HD23 LEU 22 HD23 LEU 22 7.171 8.123 -5.832 179 H THR 23 H THR 23 9.607 3.773 -2.727 180 HA THR 23 HA THR 23 8.225 1.248 -2.056 181 HB THR 23 HB THR 23 10.033 0.629 -3.553 182 HG1 THR 23 HG1 THR 23 9.571 -0.746 -1.822 183 HG21 THR 23 HG21 THR 23 11.668 2.297 -3.426 184 HG22 THR 23 HG22 THR 23 12.425 0.970 -2.550 185 HG23 THR 23 HG23 THR 23 11.683 2.298 -1.661 186 H CYS 24 H CYS 24 8.388 0.461 -0.043 187 HA CYS 24 HA CYS 24 9.962 1.788 2.028 188 HB2 CYS 24 HB2 CYS 24 7.994 2.119 3.487 189 HB3 CYS 24 HB3 CYS 24 7.875 3.083 2.014 190 H GLN 25 H GLN 25 9.713 0.541 4.184 191 HA GLN 25 HA GLN 25 9.373 -2.350 3.554 192 HB2 GLN 25 HB2 GLN 25 11.217 -1.082 5.586 193 HB3 GLN 25 HB3 GLN 25 11.045 -2.810 5.297 194 HG2 GLN 25 HG2 GLN 25 11.746 -2.449 2.932 195 HG3 GLN 25 HG3 GLN 25 12.014 -0.748 3.296 196 HE21 GLN 25 HE21 GLN 25 14.193 -0.344 3.643 197 HE22 GLN 25 HE22 GLN 25 15.268 -1.401 4.422 198 H LEU 26 H LEU 26 7.684 -3.300 4.472 199 HA LEU 26 HA LEU 26 6.903 -2.500 7.209 200 HB2 LEU 26 HB2 LEU 26 4.512 -2.750 6.591 201 HB3 LEU 26 HB3 LEU 26 5.303 -1.430 5.748 202 HG LEU 26 HG LEU 26 5.745 -3.430 3.918 203 HD11 LEU 26 HD11 LEU 26 4.408 -5.017 5.410 204 HD12 LEU 26 HD12 LEU 26 3.875 -4.909 3.735 205 HD13 LEU 26 HD13 LEU 26 2.988 -4.059 4.997 206 HD21 LEU 26 HD21 LEU 26 3.684 -2.592 2.732 207 HD22 LEU 26 HD22 LEU 26 4.729 -1.301 3.331 208 HD23 LEU 26 HD23 LEU 26 3.251 -1.717 4.201 209 H LEU 27 H LEU 27 5.863 -4.126 8.465 210 HA LEU 27 HA LEU 27 6.405 -6.877 7.514 211 HB2 LEU 27 HB2 LEU 27 6.258 -5.818 10.348 212 HB3 LEU 27 HB3 LEU 27 6.537 -7.500 9.906 213 HG LEU 27 HG LEU 27 8.326 -5.231 8.980 214 HD11 LEU 27 HD11 LEU 27 9.891 -6.079 10.756 215 HD12 LEU 27 HD12 LEU 27 8.576 -7.076 11.375 216 HD13 LEU 27 HD13 LEU 27 8.438 -5.318 11.406 217 HD21 LEU 27 HD21 LEU 27 8.523 -7.226 7.603 218 HD22 LEU 27 HD22 LEU 27 8.574 -8.263 9.028 219 HD23 LEU 27 HD23 LEU 27 9.925 -7.186 8.674 220 HA PRO 28 HA PRO 28 1.782 -6.864 7.791 221 HB2 PRO 28 HB2 PRO 28 1.300 -9.031 6.253 222 HB3 PRO 28 HB3 PRO 28 1.696 -7.445 5.552 223 HG2 PRO 28 HG2 PRO 28 3.464 -9.810 5.987 224 HG3 PRO 28 HG3 PRO 28 3.337 -8.743 4.575 225 HD2 PRO 28 HD2 PRO 28 5.320 -8.472 6.421 226 HD3 PRO 28 HD3 PRO 28 4.651 -7.088 5.526 227 H LYS 29 H LYS 29 0.572 -7.844 9.320 228 HA LYS 29 HA LYS 29 1.675 -9.851 11.058 229 HB2 LYS 29 HB2 LYS 29 0.066 -8.140 11.858 230 HB3 LYS 29 HB3 LYS 29 -1.184 -8.845 10.837 231 HG2 LYS 29 HG2 LYS 29 -0.996 -10.979 12.069 232 HG3 LYS 29 HG3 LYS 29 0.259 -10.280 13.092 233 HD2 LYS 29 HD2 LYS 29 -1.325 -8.586 13.903 234 HD3 LYS 29 HD3 LYS 29 -2.587 -9.261 12.867 235 HE2 LYS 29 HE2 LYS 29 -2.417 -11.407 14.033 236 HE3 LYS 29 HE3 LYS 29 -1.150 -10.755 15.073 237 HZ1 LYS 29 HZ1 LYS 29 -3.815 -9.487 14.864 238 HZ2 LYS 29 HZ2 LYS 29 -2.639 -9.272 16.071 239 HZ3 LYS 29 HZ3 LYS 29 -3.506 -10.730 15.974 240 H ARG 30 H ARG 30 -0.800 -9.815 8.590 241 HA ARG 30 HA ARG 30 -0.563 -12.707 8.139 242 HB2 ARG 30 HB2 ARG 30 -2.494 -11.976 9.770 243 HB3 ARG 30 HB3 ARG 30 -3.282 -11.419 8.301 244 HG2 ARG 30 HG2 ARG 30 -2.238 -14.148 7.918 245 HG3 ARG 30 HG3 ARG 30 -3.241 -14.074 9.359 246 HD2 ARG 30 HD2 ARG 30 -4.086 -13.166 6.579 247 HD3 ARG 30 HD3 ARG 30 -4.609 -14.634 7.388 248 HE ARG 30 HE ARG 30 -5.462 -11.894 7.987 249 HH11 ARG 30 HH11 ARG 30 -5.540 -15.278 8.941 250 HH12 ARG 30 HH12 ARG 30 -6.918 -15.077 9.970 251 HH21 ARG 30 HH21 ARG 30 -7.250 -11.682 9.353 252 HH22 ARG 30 HH22 ARG 30 -7.875 -13.057 10.201 253 H THR 31 H THR 31 -2.240 -13.141 6.147 254 HA THR 31 HA THR 31 -1.256 -11.955 3.851 255 HB THR 31 HB THR 31 -4.096 -12.973 4.236 256 HG1 THR 31 HG1 THR 31 -1.670 -14.298 3.606 257 HG21 THR 31 HG21 THR 31 -3.799 -11.825 2.110 258 HG22 THR 31 HG22 THR 31 -3.865 -13.563 1.820 259 HG23 THR 31 HG23 THR 31 -2.314 -12.724 1.797 260 H THR 32 H THR 32 -1.733 -10.135 2.668 261 HA THR 32 HA THR 32 -2.947 -7.982 4.142 262 HB THR 32 HB THR 32 -2.125 -6.519 2.385 263 HG1 THR 32 HG1 THR 32 -1.451 -7.288 0.487 264 HG21 THR 32 HG21 THR 32 0.253 -6.994 2.565 265 HG22 THR 32 HG22 THR 32 -0.083 -8.670 2.998 266 HG23 THR 32 HG23 THR 32 -0.534 -7.368 4.098 267 H ALA 33 H ALA 33 -4.794 -10.081 3.192 268 HA ALA 33 HA ALA 33 -6.414 -9.153 1.068 269 HB1 ALA 33 HB1 ALA 33 -7.390 -10.767 3.423 270 HB2 ALA 33 HB2 ALA 33 -6.402 -11.471 2.144 271 HB3 ALA 33 HB3 ALA 33 -7.980 -10.788 1.760 272 H HIS 34 H HIS 34 -6.082 -8.139 4.377 273 HA HIS 34 HA HIS 34 -8.446 -6.374 4.096 274 HB2 HIS 34 HB2 HIS 34 -7.303 -7.533 6.653 275 HB3 HIS 34 HB3 HIS 34 -8.642 -6.389 6.561 276 HD2 HIS 34 HD2 HIS 34 -8.123 -10.167 6.502 277 HE1 HIS 34 HE1 HIS 34 -11.946 -9.514 4.834 278 HE2 HIS 34 HE2 HIS 34 -10.361 -11.276 5.744 279 H MET 35 H MET 35 -5.070 -6.438 4.304 280 HA MET 35 HA MET 35 -4.620 -3.958 5.766 281 HB2 MET 35 HB2 MET 35 -2.883 -5.887 4.233 282 HB3 MET 35 HB3 MET 35 -2.258 -4.342 4.800 283 HG2 MET 35 HG2 MET 35 -1.743 -5.958 6.485 284 HG3 MET 35 HG3 MET 35 -3.067 -4.978 7.119 285 HE1 MET 35 HE1 MET 35 -3.688 -8.405 8.638 286 HE2 MET 35 HE2 MET 35 -2.694 -6.952 8.690 287 HE3 MET 35 HE3 MET 35 -2.114 -8.372 7.829 288 H GLU 36 H GLU 36 -3.830 -2.010 4.922 289 HA GLU 36 HA GLU 36 -3.869 -1.687 2.030 290 HB2 GLU 36 HB2 GLU 36 -5.133 0.569 2.424 291 HB3 GLU 36 HB3 GLU 36 -6.041 -0.928 2.277 292 HG2 GLU 36 HG2 GLU 36 -6.655 -0.938 4.504 293 HG3 GLU 36 HG3 GLU 36 -5.184 -0.137 5.036 294 H VAL 37 H VAL 37 -2.567 -0.130 1.203 295 HA VAL 37 HA VAL 37 -1.047 1.503 3.108 296 HB VAL 37 HB VAL 37 1.032 1.095 1.807 297 HG11 VAL 37 HG11 VAL 37 1.330 -1.281 2.641 298 HG12 VAL 37 HG12 VAL 37 -0.379 -1.266 3.076 299 HG13 VAL 37 HG13 VAL 37 0.737 -0.138 3.845 300 HG21 VAL 37 HG21 VAL 37 -0.457 -1.233 0.569 301 HG22 VAL 37 HG22 VAL 37 1.142 -0.616 0.149 302 HG23 VAL 37 HG23 VAL 37 -0.301 0.317 -0.258 303 H ARG 38 H ARG 38 -0.212 3.495 2.324 304 HA ARG 38 HA ARG 38 -1.416 4.370 -0.245 305 HB2 ARG 38 HB2 ARG 38 -1.369 5.844 2.396 306 HB3 ARG 38 HB3 ARG 38 -1.897 6.547 0.866 307 HG2 ARG 38 HG2 ARG 38 -3.690 4.911 0.668 308 HG3 ARG 38 HG3 ARG 38 -3.122 4.058 2.105 309 HD2 ARG 38 HD2 ARG 38 -3.543 6.099 3.458 310 HD3 ARG 38 HD3 ARG 38 -4.163 6.903 2.022 311 HE ARG 38 HE ARG 38 -5.505 4.818 3.571 312 HH11 ARG 38 HH11 ARG 38 -5.478 6.719 0.612 313 HH12 ARG 38 HH12 ARG 38 -7.144 6.408 0.260 314 HH21 ARG 38 HH21 ARG 38 -7.671 4.422 3.052 315 HH22 ARG 38 HH22 ARG 38 -8.373 5.120 1.631 316 H TRP 39 H TRP 39 -0.320 5.843 -1.479 317 HA TRP 39 HA TRP 39 2.425 6.625 -0.644 318 HB2 TRP 39 HB2 TRP 39 1.387 5.897 -3.406 319 HB3 TRP 39 HB3 TRP 39 2.963 6.616 -3.108 320 HD1 TRP 39 HD1 TRP 39 4.855 5.073 -2.073 321 HE1 TRP 39 HE1 TRP 39 5.050 2.535 -1.758 322 HE3 TRP 39 HE3 TRP 39 -0.009 3.696 -2.871 323 HZ2 TRP 39 HZ2 TRP 39 3.394 0.220 -1.838 324 HZ3 TRP 39 HZ3 TRP 39 -0.662 1.304 -2.751 325 HH2 TRP 39 HH2 TRP 39 1.035 -0.431 -2.235 326 H TYR 40 H TYR 40 2.949 8.816 -0.888 327 HA TYR 40 HA TYR 40 0.956 10.579 -2.237 328 HB2 TYR 40 HB2 TYR 40 2.356 11.150 0.384 329 HB3 TYR 40 HB3 TYR 40 1.294 12.257 -0.478 330 HD1 TYR 40 HD1 TYR 40 1.482 9.343 1.695 331 HD2 TYR 40 HD2 TYR 40 -1.125 11.707 -0.762 332 HE1 TYR 40 HE1 TYR 40 -0.484 8.326 2.807 333 HE2 TYR 40 HE2 TYR 40 -3.093 10.694 0.347 334 HH TYR 40 HH TYR 40 -2.751 8.053 2.669 335 H ARG 41 H ARG 41 1.827 11.916 -3.732 336 HA ARG 41 HA ARG 41 4.743 12.251 -3.839 337 HB2 ARG 41 HB2 ARG 41 2.598 13.268 -5.734 338 HB3 ARG 41 HB3 ARG 41 4.337 13.406 -5.984 339 HG2 ARG 41 HG2 ARG 41 4.570 10.995 -6.089 340 HG3 ARG 41 HG3 ARG 41 2.876 10.773 -5.657 341 HD2 ARG 41 HD2 ARG 41 3.866 12.170 -8.164 342 HD3 ARG 41 HD3 ARG 41 3.240 10.529 -8.103 343 HE ARG 41 HE ARG 41 1.272 12.165 -6.986 344 HH11 ARG 41 HH11 ARG 41 2.851 11.841 -10.108 345 HH12 ARG 41 HH12 ARG 41 1.486 12.431 -10.994 346 HH21 ARG 41 HH21 ARG 41 -0.480 12.937 -8.179 347 HH22 ARG 41 HH22 ARG 41 -0.390 13.048 -9.905 348 H SER 42 H SER 42 4.823 13.436 -1.815 349 HA SER 42 HA SER 42 4.849 15.321 -0.507 350 HB2 SER 42 HB2 SER 42 4.961 16.676 -3.214 351 HB3 SER 42 HB3 SER 42 5.359 17.432 -1.677 352 HG SER 42 HG SER 42 7.180 16.321 -1.604 353 H ASP 43 H ASP 43 2.200 14.254 -1.451 354 HA ASP 43 HA ASP 43 0.583 16.604 -0.744 355 HB2 ASP 43 HB2 ASP 43 -1.108 16.008 -2.468 356 HB3 ASP 43 HB3 ASP 43 0.430 16.496 -3.182 357 HA PRO 44 HA PRO 44 -0.300 12.707 1.864 358 HB2 PRO 44 HB2 PRO 44 -0.958 14.958 3.725 359 HB3 PRO 44 HB3 PRO 44 -0.144 13.411 4.059 360 HG2 PRO 44 HG2 PRO 44 1.287 15.588 3.913 361 HG3 PRO 44 HG3 PRO 44 1.854 14.109 3.112 362 HD2 PRO 44 HD2 PRO 44 0.591 16.540 1.874 363 HD3 PRO 44 HD3 PRO 44 1.946 15.548 1.278 364 H ASP 45 H ASP 45 -2.110 15.730 1.441 365 HA ASP 45 HA ASP 45 -4.640 14.799 2.286 366 HB2 ASP 45 HB2 ASP 45 -3.952 17.205 2.004 367 HB3 ASP 45 HB3 ASP 45 -4.146 16.985 0.266 368 H MET 46 H MET 46 -3.015 14.638 -0.849 369 HA MET 46 HA MET 46 -5.380 13.232 -1.958 370 HB2 MET 46 HB2 MET 46 -4.986 15.443 -2.993 371 HB3 MET 46 HB3 MET 46 -3.361 14.934 -3.446 372 HG2 MET 46 HG2 MET 46 -4.831 14.652 -5.368 373 HG3 MET 46 HG3 MET 46 -4.375 13.056 -4.769 374 HE1 MET 46 HE1 MET 46 -6.013 12.145 -6.140 375 HE2 MET 46 HE2 MET 46 -7.135 13.397 -6.665 376 HE3 MET 46 HE3 MET 46 -7.743 11.992 -5.793 377 HA PRO 47 HA PRO 47 -2.045 9.972 -2.186 378 HB2 PRO 47 HB2 PRO 47 -3.705 7.830 -2.340 379 HB3 PRO 47 HB3 PRO 47 -3.305 8.602 -0.797 380 HG2 PRO 47 HG2 PRO 47 -5.733 8.929 -2.497 381 HG3 PRO 47 HG3 PRO 47 -5.606 8.745 -0.736 382 HD2 PRO 47 HD2 PRO 47 -5.984 11.168 -1.892 383 HD3 PRO 47 HD3 PRO 47 -5.036 10.975 -0.398 384 H VAL 48 H VAL 48 -1.164 9.113 -4.053 385 HA VAL 48 HA VAL 48 -2.311 9.707 -6.610 386 HB VAL 48 HB VAL 48 0.012 7.903 -5.831 387 HG11 VAL 48 HG11 VAL 48 -0.686 7.233 -8.037 388 HG12 VAL 48 HG12 VAL 48 0.725 8.270 -8.241 389 HG13 VAL 48 HG13 VAL 48 -0.890 8.910 -8.547 390 HG21 VAL 48 HG21 VAL 48 0.499 10.156 -5.198 391 HG22 VAL 48 HG22 VAL 48 -0.187 10.796 -6.691 392 HG23 VAL 48 HG23 VAL 48 1.327 9.894 -6.732 393 H ILE 49 H ILE 49 -1.811 6.735 -4.775 394 HA ILE 49 HA ILE 49 -4.200 5.476 -5.667 395 HB ILE 49 HB ILE 49 -2.506 5.319 -7.666 396 HG12 ILE 49 HG12 ILE 49 -3.216 2.959 -8.190 397 HG13 ILE 49 HG13 ILE 49 -3.921 2.836 -6.581 398 HG21 ILE 49 HG21 ILE 49 -1.287 3.272 -5.799 399 HG22 ILE 49 HG22 ILE 49 -0.499 4.649 -6.563 400 HG23 ILE 49 HG23 ILE 49 -1.033 3.282 -7.537 401 HD11 ILE 49 HD11 ILE 49 -5.805 3.682 -7.525 402 HD12 ILE 49 HD12 ILE 49 -4.951 4.169 -8.981 403 HD13 ILE 49 HD13 ILE 49 -4.994 5.243 -7.589 404 H MET 50 H MET 50 -4.415 3.290 -4.613 405 HA MET 50 HA MET 50 -2.406 2.788 -2.531 406 HB2 MET 50 HB2 MET 50 -4.103 2.556 -0.770 407 HB3 MET 50 HB3 MET 50 -4.045 4.202 -1.410 408 HG2 MET 50 HG2 MET 50 -6.015 3.741 -2.817 409 HG3 MET 50 HG3 MET 50 -6.054 2.075 -2.235 410 HE1 MET 50 HE1 MET 50 -8.608 4.015 -2.013 411 HE2 MET 50 HE2 MET 50 -9.146 3.416 -0.446 412 HE3 MET 50 HE3 MET 50 -8.447 2.297 -1.613 413 H TYR 51 H TYR 51 -2.394 0.762 -1.632 414 HA TYR 51 HA TYR 51 -3.636 -1.330 -3.285 415 HB2 TYR 51 HB2 TYR 51 -1.058 -1.108 -2.744 416 HB3 TYR 51 HB3 TYR 51 -1.514 -1.747 -1.175 417 HD1 TYR 51 HD1 TYR 51 0.362 -3.392 -2.276 418 HD2 TYR 51 HD2 TYR 51 -3.774 -3.282 -3.493 419 HE1 TYR 51 HE1 TYR 51 0.556 -5.684 -3.192 420 HE2 TYR 51 HE2 TYR 51 -3.557 -5.575 -4.404 421 HH TYR 51 HH TYR 51 -0.643 -7.054 -4.991 422 H ARG 52 H ARG 52 -5.605 -1.787 -2.385 423 HA ARG 52 HA ARG 52 -5.726 -2.118 0.553 424 HB2 ARG 52 HB2 ARG 52 -6.896 -0.097 -0.080 425 HB3 ARG 52 HB3 ARG 52 -7.853 -0.966 -1.282 426 HG2 ARG 52 HG2 ARG 52 -8.936 -2.271 0.496 427 HG3 ARG 52 HG3 ARG 52 -7.923 -1.514 1.720 428 HD2 ARG 52 HD2 ARG 52 -8.878 0.691 1.145 429 HD3 ARG 52 HD3 ARG 52 -9.894 -0.071 -0.074 430 HE ARG 52 HE ARG 52 -10.271 -0.162 2.818 431 HH11 ARG 52 HH11 ARG 52 -11.167 -1.540 -0.290 432 HH12 ARG 52 HH12 ARG 52 -12.638 -2.235 0.306 433 HH21 ARG 52 HH21 ARG 52 -12.194 -1.098 3.555 434 HH22 ARG 52 HH22 ARG 52 -13.212 -1.985 2.471 435 H ASP 53 H ASP 53 -6.510 -3.891 1.357 436 HA ASP 53 HA ASP 53 -7.231 -6.005 1.540 437 HB2 ASP 53 HB2 ASP 53 -9.210 -5.088 -0.558 438 HB3 ASP 53 HB3 ASP 53 -9.398 -6.512 0.460 439 H GLY 54 H GLY 54 -5.013 -5.788 -0.097 440 HA2 GLY 54 HA2 GLY 54 -3.724 -7.146 -1.440 441 HA3 GLY 54 HA3 GLY 54 -5.075 -8.276 -1.491 442 H ALA 55 H ALA 55 -5.880 -5.085 -2.497 443 HA ALA 55 HA ALA 55 -5.299 -5.587 -5.326 444 HB1 ALA 55 HB1 ALA 55 -7.578 -6.574 -4.732 445 HB2 ALA 55 HB2 ALA 55 -7.543 -5.422 -6.067 446 HB3 ALA 55 HB3 ALA 55 -8.114 -4.913 -4.479 447 H GLU 56 H GLU 56 -5.099 -3.749 -6.548 448 HA GLU 56 HA GLU 56 -4.852 -1.242 -5.090 449 HB2 GLU 56 HB2 GLU 56 -4.327 -1.808 -8.022 450 HB3 GLU 56 HB3 GLU 56 -3.882 -0.356 -7.143 451 HG2 GLU 56 HG2 GLU 56 -2.407 -1.632 -5.671 452 HG3 GLU 56 HG3 GLU 56 -2.880 -3.134 -6.464 453 H VAL 57 H VAL 57 -5.872 0.709 -5.680 454 HA VAL 57 HA VAL 57 -8.646 0.432 -6.360 455 HB VAL 57 HB VAL 57 -6.915 2.898 -5.946 456 HG11 VAL 57 HG11 VAL 57 -8.938 3.423 -7.265 457 HG12 VAL 57 HG12 VAL 57 -9.024 4.125 -5.650 458 HG13 VAL 57 HG13 VAL 57 -9.941 2.665 -6.026 459 HG21 VAL 57 HG21 VAL 57 -8.955 1.688 -4.067 460 HG22 VAL 57 HG22 VAL 57 -7.752 2.926 -3.716 461 HG23 VAL 57 HG23 VAL 57 -7.243 1.266 -4.010 462 H THR 58 H THR 58 -9.483 0.371 -8.344 463 HA THR 58 HA THR 58 -8.143 1.797 -10.550 464 HB THR 58 HB THR 58 -8.542 -0.107 -12.060 465 HG1 THR 58 HG1 THR 58 -10.107 -1.303 -11.277 466 HG21 THR 58 HG21 THR 58 -6.719 -1.450 -11.337 467 HG22 THR 58 HG22 THR 58 -7.048 -1.116 -9.636 468 HG23 THR 58 HG23 THR 58 -6.402 0.154 -10.676 469 H GLY 59 H GLY 59 -9.554 2.165 -12.418 470 HA2 GLY 59 HA2 GLY 59 -12.371 2.525 -11.590 471 HA3 GLY 59 HA3 GLY 59 -11.545 3.493 -12.807 472 H LEU 60 H LEU 60 -13.935 1.424 -12.606 473 HA LEU 60 HA LEU 60 -13.345 -0.671 -14.382 474 HB2 LEU 60 HB2 LEU 60 -15.967 0.568 -13.538 475 HB3 LEU 60 HB3 LEU 60 -15.896 -0.746 -14.705 476 HG LEU 60 HG LEU 60 -14.604 -2.090 -13.005 477 HD11 LEU 60 HD11 LEU 60 -13.670 -0.481 -11.533 478 HD12 LEU 60 HD12 LEU 60 -14.939 -1.245 -10.578 479 HD13 LEU 60 HD13 LEU 60 -15.215 0.337 -11.308 480 HD21 LEU 60 HD21 LEU 60 -17.017 -2.413 -13.302 481 HD22 LEU 60 HD22 LEU 60 -17.349 -1.087 -12.188 482 HD23 LEU 60 HD23 LEU 60 -16.600 -2.570 -11.594 483 HA PRO 61 HA PRO 61 -15.414 2.142 -17.913 484 HB2 PRO 61 HB2 PRO 61 -14.388 4.782 -16.973 485 HB3 PRO 61 HB3 PRO 61 -15.914 4.385 -17.790 486 HG2 PRO 61 HG2 PRO 61 -15.945 4.930 -15.236 487 HG3 PRO 61 HG3 PRO 61 -16.888 3.555 -15.849 488 HD2 PRO 61 HD2 PRO 61 -14.235 3.517 -14.430 489 HD3 PRO 61 HD3 PRO 61 -15.658 2.475 -14.187 490 H MET 62 H MET 62 -12.402 3.291 -16.374 491 HA MET 62 HA MET 62 -10.907 2.585 -18.801 492 HB2 MET 62 HB2 MET 62 -10.822 5.284 -17.450 493 HB3 MET 62 HB3 MET 62 -9.606 4.726 -18.598 494 HG2 MET 62 HG2 MET 62 -11.454 4.325 -20.262 495 HG3 MET 62 HG3 MET 62 -12.568 5.097 -19.133 496 HE1 MET 62 HE1 MET 62 -11.031 8.497 -18.522 497 HE2 MET 62 HE2 MET 62 -11.811 7.077 -17.838 498 HE3 MET 62 HE3 MET 62 -12.675 8.064 -19.011 499 H GLU 63 H GLU 63 -8.767 2.011 -18.465 500 HA GLU 63 HA GLU 63 -8.107 1.280 -15.713 501 HB2 GLU 63 HB2 GLU 63 -6.423 -0.180 -16.665 502 HB3 GLU 63 HB3 GLU 63 -7.923 -0.402 -17.562 503 HG2 GLU 63 HG2 GLU 63 -7.030 1.262 -19.274 504 HG3 GLU 63 HG3 GLU 63 -5.499 1.212 -18.419 505 H GLY 64 H GLY 64 -7.913 4.116 -16.743 506 HA2 GLY 64 HA2 GLY 64 -5.267 4.897 -17.182 507 HA3 GLY 64 HA3 GLY 64 -6.526 5.933 -16.522 508 H TYR 65 H TYR 65 -7.050 4.602 -14.093 509 HA TYR 65 HA TYR 65 -4.886 5.595 -12.496 510 HB2 TYR 65 HB2 TYR 65 -7.394 4.075 -11.798 511 HB3 TYR 65 HB3 TYR 65 -6.241 4.639 -10.589 512 HD1 TYR 65 HD1 TYR 65 -8.777 5.644 -13.057 513 HD2 TYR 65 HD2 TYR 65 -5.907 7.037 -10.180 514 HE1 TYR 65 HE1 TYR 65 -9.811 7.897 -13.116 515 HE2 TYR 65 HE2 TYR 65 -6.941 9.290 -10.240 516 HH TYR 65 HH TYR 65 -9.015 10.349 -10.823 517 H GLY 66 H GLY 66 -6.207 2.299 -12.945 518 HA2 GLY 66 HA2 GLY 66 -4.291 0.971 -11.350 519 HA3 GLY 66 HA3 GLY 66 -5.293 0.217 -12.585 520 H GLY 67 H GLY 67 -4.430 1.531 -14.849 521 HA2 GLY 67 HA2 GLY 67 -2.128 0.081 -15.572 522 HA3 GLY 67 HA3 GLY 67 -2.869 1.363 -16.521 523 H ARG 68 H ARG 68 -2.595 3.486 -14.702 524 HA ARG 68 HA ARG 68 -0.011 4.402 -15.330 525 HB2 ARG 68 HB2 ARG 68 -1.921 5.903 -14.846 526 HB3 ARG 68 HB3 ARG 68 -1.844 5.441 -13.146 527 HG2 ARG 68 HG2 ARG 68 0.463 6.337 -13.018 528 HG3 ARG 68 HG3 ARG 68 0.380 6.791 -14.720 529 HD2 ARG 68 HD2 ARG 68 -1.471 7.835 -12.557 530 HD3 ARG 68 HD3 ARG 68 -0.095 8.701 -13.211 531 HE ARG 68 HE ARG 68 -1.233 8.881 -15.318 532 HH11 ARG 68 HH11 ARG 68 -3.279 7.461 -12.803 533 HH12 ARG 68 HH12 ARG 68 -4.739 7.812 -13.657 534 HH21 ARG 68 HH21 ARG 68 -3.183 9.319 -16.355 535 HH22 ARG 68 HH22 ARG 68 -4.688 8.847 -15.642 536 H ALA 69 H ALA 69 -1.280 3.168 -12.212 537 HA ALA 69 HA ALA 69 1.509 2.839 -11.321 538 HB1 ALA 69 HB1 ALA 69 0.581 2.981 -9.019 539 HB2 ALA 69 HB2 ALA 69 -0.980 3.405 -9.722 540 HB3 ALA 69 HB3 ALA 69 0.409 4.469 -9.949 541 H GLU 70 H GLU 70 2.128 0.809 -11.364 542 HA GLU 70 HA GLU 70 0.172 -1.322 -10.740 543 HB2 GLU 70 HB2 GLU 70 1.143 -1.298 -13.084 544 HB3 GLU 70 HB3 GLU 70 2.712 -1.631 -12.354 545 HG2 GLU 70 HG2 GLU 70 0.337 -3.382 -11.703 546 HG3 GLU 70 HG3 GLU 70 1.255 -3.640 -13.179 547 H TRP 71 H TRP 71 0.484 -2.231 -8.831 548 HA TRP 71 HA TRP 71 2.787 -1.719 -7.225 549 HB2 TRP 71 HB2 TRP 71 0.483 -2.053 -6.314 550 HB3 TRP 71 HB3 TRP 71 0.579 -3.752 -6.776 551 HD1 TRP 71 HD1 TRP 71 1.963 -1.217 -4.295 552 HE1 TRP 71 HE1 TRP 71 3.154 -2.474 -2.392 553 HE3 TRP 71 HE3 TRP 71 1.845 -5.968 -6.164 554 HZ2 TRP 71 HZ2 TRP 71 3.955 -5.139 -1.743 555 HZ3 TRP 71 HZ3 TRP 71 2.830 -7.847 -4.880 556 HH2 TRP 71 HH2 TRP 71 3.884 -7.437 -2.672 557 H MET 72 H MET 72 4.662 -2.762 -7.180 558 HA MET 72 HA MET 72 4.778 -5.588 -8.019 559 HB2 MET 72 HB2 MET 72 5.562 -4.173 -9.898 560 HB3 MET 72 HB3 MET 72 6.765 -3.438 -8.841 561 HG2 MET 72 HG2 MET 72 7.838 -5.630 -8.506 562 HG3 MET 72 HG3 MET 72 6.600 -6.402 -9.497 563 HE1 MET 72 HE1 MET 72 9.605 -4.187 -9.193 564 HE2 MET 72 HE2 MET 72 8.564 -2.952 -9.895 565 HE3 MET 72 HE3 MET 72 9.940 -3.556 -10.815 566 H GLU 73 H GLU 73 5.779 -6.847 -6.596 567 HA GLU 73 HA GLU 73 6.739 -5.825 -4.124 568 HB2 GLU 73 HB2 GLU 73 5.665 -8.070 -4.434 569 HB3 GLU 73 HB3 GLU 73 7.141 -8.611 -5.231 570 HG2 GLU 73 HG2 GLU 73 8.451 -8.136 -3.217 571 HG3 GLU 73 HG3 GLU 73 7.031 -7.481 -2.412 572 H ASP 74 H ASP 74 8.763 -5.536 -3.347 573 HA ASP 74 HA ASP 74 10.850 -4.869 -5.107 574 HB2 ASP 74 HB2 ASP 74 10.950 -5.475 -2.146 575 HB3 ASP 74 HB3 ASP 74 12.245 -4.714 -3.068 576 H SER 75 H SER 75 12.928 -5.812 -5.364 577 HA SER 75 HA SER 75 12.913 -8.531 -6.058 578 HB2 SER 75 HB2 SER 75 14.467 -6.929 -7.063 579 HB3 SER 75 HB3 SER 75 15.267 -6.713 -5.511 580 HG SER 75 HG SER 75 15.062 -9.105 -7.041 581 H THR 76 H THR 76 14.047 -6.877 -3.147 582 HA THR 76 HA THR 76 15.316 -9.078 -1.905 583 HB THR 76 HB THR 76 13.992 -6.657 -0.626 584 HG1 THR 76 HG1 THR 76 15.592 -5.699 -1.579 585 HG21 THR 76 HG21 THR 76 14.584 -8.677 0.863 586 HG22 THR 76 HG22 THR 76 15.279 -7.123 1.322 587 HG23 THR 76 HG23 THR 76 16.265 -8.316 0.477 588 H GLU 77 H GLU 77 11.976 -7.937 -1.918 589 HA GLU 77 HA GLU 77 10.039 -8.727 -1.061 590 HB2 GLU 77 HB2 GLU 77 9.445 -10.958 -1.669 591 HB3 GLU 77 HB3 GLU 77 10.550 -10.382 -2.906 592 HG2 GLU 77 HG2 GLU 77 11.802 -11.861 -0.615 593 HG3 GLU 77 HG3 GLU 77 10.793 -12.798 -1.702 594 H GLU 78 H GLU 78 11.971 -8.187 0.939 595 HA GLU 78 HA GLU 78 11.398 -10.242 2.976 596 HB2 GLU 78 HB2 GLU 78 13.790 -9.483 2.617 597 HB3 GLU 78 HB3 GLU 78 13.305 -7.895 3.215 598 HG2 GLU 78 HG2 GLU 78 12.603 -8.879 5.343 599 HG3 GLU 78 HG3 GLU 78 12.986 -10.493 4.745 600 H GLY 79 H GLY 79 9.172 -9.034 2.366 601 HA2 GLY 79 HA2 GLY 79 7.364 -8.076 3.476 602 HA3 GLY 79 HA3 GLY 79 8.464 -7.486 4.716 603 H SER 80 H SER 80 9.818 -6.602 1.797 604 HA SER 80 HA SER 80 9.043 -3.840 2.136 605 HB2 SER 80 HB2 SER 80 10.848 -5.151 0.090 606 HB3 SER 80 HB3 SER 80 10.661 -3.420 0.336 607 HG SER 80 HG SER 80 11.958 -5.343 1.873 608 H VAL 81 H VAL 81 7.869 -2.585 0.732 609 HA VAL 81 HA VAL 81 6.520 -4.001 -1.492 610 HB VAL 81 HB VAL 81 4.521 -2.606 -1.048 611 HG11 VAL 81 HG11 VAL 81 4.877 -4.906 -0.042 612 HG12 VAL 81 HG12 VAL 81 3.721 -3.883 0.811 613 HG13 VAL 81 HG13 VAL 81 5.351 -4.093 1.450 614 HG21 VAL 81 HG21 VAL 81 5.659 -0.720 0.103 615 HG22 VAL 81 HG22 VAL 81 6.031 -1.782 1.461 616 HG23 VAL 81 HG23 VAL 81 4.354 -1.374 1.094 617 H ALA 82 H ALA 82 6.060 -2.791 -3.351 618 HA ALA 82 HA ALA 82 7.148 -0.088 -3.530 619 HB1 ALA 82 HB1 ALA 82 8.930 -1.912 -4.061 620 HB2 ALA 82 HB2 ALA 82 8.767 -0.523 -5.135 621 HB3 ALA 82 HB3 ALA 82 8.054 -2.073 -5.583 622 H LEU 83 H LEU 83 6.386 1.108 -5.270 623 HA LEU 83 HA LEU 83 4.223 -0.109 -6.867 624 HB2 LEU 83 HB2 LEU 83 3.304 1.378 -5.108 625 HB3 LEU 83 HB3 LEU 83 4.312 2.693 -5.698 626 HG LEU 83 HG LEU 83 3.138 2.506 -7.933 627 HD11 LEU 83 HD11 LEU 83 1.514 0.477 -6.386 628 HD12 LEU 83 HD12 LEU 83 2.298 0.282 -7.952 629 HD13 LEU 83 HD13 LEU 83 0.867 1.302 -7.805 630 HD21 LEU 83 HD21 LEU 83 1.110 2.942 -5.728 631 HD22 LEU 83 HD22 LEU 83 1.295 3.817 -7.248 632 HD23 LEU 83 HD23 LEU 83 2.460 4.055 -5.953 633 H LYS 84 H LYS 84 4.567 0.001 -8.986 634 HA LYS 84 HA LYS 84 6.665 1.746 -10.052 635 HB2 LYS 84 HB2 LYS 84 6.537 -0.654 -10.743 636 HB3 LYS 84 HB3 LYS 84 4.958 -0.343 -11.456 637 HG2 LYS 84 HG2 LYS 84 5.963 1.309 -12.992 638 HG3 LYS 84 HG3 LYS 84 7.543 1.046 -12.257 639 HD2 LYS 84 HD2 LYS 84 7.520 -0.295 -14.242 640 HD3 LYS 84 HD3 LYS 84 7.295 -1.416 -12.902 641 HE2 LYS 84 HE2 LYS 84 4.871 -1.440 -13.285 642 HE3 LYS 84 HE3 LYS 84 5.044 -0.254 -14.578 643 HZ1 LYS 84 HZ1 LYS 84 6.418 -1.835 -15.789 644 HZ2 LYS 84 HZ2 LYS 84 4.885 -2.491 -15.459 645 HZ3 LYS 84 HZ3 LYS 84 6.236 -2.975 -14.548 646 H ILE 85 H ILE 85 6.109 3.757 -10.673 647 HA ILE 85 HA ILE 85 3.330 4.245 -11.563 648 HB ILE 85 HB ILE 85 3.994 5.467 -9.528 649 HG12 ILE 85 HG12 ILE 85 3.523 7.831 -10.438 650 HG13 ILE 85 HG13 ILE 85 3.534 7.105 -12.045 651 HG21 ILE 85 HG21 ILE 85 6.363 5.702 -9.830 652 HG22 ILE 85 HG22 ILE 85 5.680 7.326 -9.778 653 HG23 ILE 85 HG23 ILE 85 6.142 6.613 -11.324 654 HD11 ILE 85 HD11 ILE 85 1.714 5.600 -11.422 655 HD12 ILE 85 HD12 ILE 85 1.235 7.263 -11.084 656 HD13 ILE 85 HD13 ILE 85 1.742 6.208 -9.766 657 H ARG 86 H ARG 86 2.896 5.052 -13.465 658 HA ARG 86 HA ARG 86 4.956 4.978 -15.460 659 HB2 ARG 86 HB2 ARG 86 2.480 4.041 -15.483 660 HB3 ARG 86 HB3 ARG 86 2.099 5.662 -16.042 661 HG2 ARG 86 HG2 ARG 86 2.457 4.476 -18.030 662 HG3 ARG 86 HG3 ARG 86 4.003 5.291 -17.770 663 HD2 ARG 86 HD2 ARG 86 4.899 3.245 -16.712 664 HD3 ARG 86 HD3 ARG 86 3.355 2.439 -16.972 665 HE ARG 86 HE ARG 86 5.399 2.982 -18.980 666 HH11 ARG 86 HH11 ARG 86 2.033 2.132 -18.421 667 HH12 ARG 86 HH12 ARG 86 1.818 1.456 -20.002 668 HH21 ARG 86 HH21 ARG 86 5.070 2.096 -21.030 669 HH22 ARG 86 HH22 ARG 86 3.529 1.436 -21.466 670 H GLN 87 H GLN 87 5.701 6.608 -16.695 671 HA GLN 87 HA GLN 87 6.236 8.702 -17.410 672 HB2 GLN 87 HB2 GLN 87 3.277 9.243 -16.996 673 HB3 GLN 87 HB3 GLN 87 4.366 10.151 -18.041 674 HG2 GLN 87 HG2 GLN 87 3.539 7.242 -18.373 675 HG3 GLN 87 HG3 GLN 87 3.084 8.585 -19.412 676 HE21 GLN 87 HE21 GLN 87 5.186 6.001 -19.242 677 HE22 GLN 87 HE22 GLN 87 6.425 6.570 -20.248 678 H VAL 88 H VAL 88 7.196 8.590 -14.993 679 HA VAL 88 HA VAL 88 6.242 10.280 -12.987 680 HB VAL 88 HB VAL 88 8.180 8.648 -12.834 681 HG11 VAL 88 HG11 VAL 88 9.348 9.903 -14.890 682 HG12 VAL 88 HG12 VAL 88 10.304 9.119 -13.638 683 HG13 VAL 88 HG13 VAL 88 10.066 10.863 -13.601 684 HG21 VAL 88 HG21 VAL 88 9.167 9.836 -11.007 685 HG22 VAL 88 HG22 VAL 88 7.518 10.444 -11.125 686 HG23 VAL 88 HG23 VAL 88 8.856 11.397 -11.762 687 H GLN 89 H GLN 89 6.838 12.434 -12.359 688 HA GLN 89 HA GLN 89 8.066 14.161 -14.320 689 HB2 GLN 89 HB2 GLN 89 5.838 15.741 -14.008 690 HB3 GLN 89 HB3 GLN 89 6.135 14.713 -15.399 691 HG2 GLN 89 HG2 GLN 89 3.926 14.198 -14.761 692 HG3 GLN 89 HG3 GLN 89 4.835 12.888 -14.033 693 HE21 GLN 89 HE21 GLN 89 5.507 13.339 -11.658 694 HE22 GLN 89 HE22 GLN 89 4.380 14.169 -10.696 695 HA PRO 90 HA PRO 90 9.597 16.865 -11.216 696 HB2 PRO 90 HB2 PRO 90 7.767 19.064 -12.094 697 HB3 PRO 90 HB3 PRO 90 9.517 19.105 -11.785 698 HG2 PRO 90 HG2 PRO 90 8.680 19.049 -14.250 699 HG3 PRO 90 HG3 PRO 90 10.022 17.991 -13.769 700 HD2 PRO 90 HD2 PRO 90 7.157 17.282 -14.261 701 HD3 PRO 90 HD3 PRO 90 8.626 16.368 -14.683 702 H SER 91 H SER 91 6.052 17.068 -11.514 703 HA SER 91 HA SER 91 5.491 18.081 -8.941 704 HB2 SER 91 HB2 SER 91 3.847 16.274 -10.721 705 HB3 SER 91 HB3 SER 91 3.243 17.039 -9.259 706 HG SER 91 HG SER 91 3.010 18.801 -10.378 707 H ASP 92 H ASP 92 6.152 14.830 -10.111 708 HA ASP 92 HA ASP 92 5.479 13.412 -7.732 709 HB2 ASP 92 HB2 ASP 92 5.760 12.365 -10.001 710 HB3 ASP 92 HB3 ASP 92 7.496 12.608 -9.841 711 H ASP 93 H ASP 93 8.375 15.037 -8.903 712 HA ASP 93 HA ASP 93 10.354 14.106 -7.208 713 HB2 ASP 93 HB2 ASP 93 10.558 15.886 -9.028 714 HB3 ASP 93 HB3 ASP 93 9.974 17.033 -7.837 715 H GLY 94 H GLY 94 10.686 14.093 -5.079 716 HA2 GLY 94 HA2 GLY 94 10.592 15.815 -3.107 717 HA3 GLY 94 HA3 GLY 94 8.856 15.581 -3.327 718 H GLN 95 H GLN 95 8.721 14.726 -1.192 719 HA GLN 95 HA GLN 95 9.845 12.008 -0.870 720 HB2 GLN 95 HB2 GLN 95 9.032 14.000 1.258 721 HB3 GLN 95 HB3 GLN 95 9.600 12.362 1.569 722 HG2 GLN 95 HG2 GLN 95 11.545 13.677 1.816 723 HG3 GLN 95 HG3 GLN 95 11.689 13.036 0.183 724 HE21 GLN 95 HE21 GLN 95 12.653 14.719 -0.993 725 HE22 GLN 95 HE22 GLN 95 12.085 16.317 -1.015 726 H TYR 96 H TYR 96 8.504 10.332 -0.107 727 HA TYR 96 HA TYR 96 5.619 10.965 -0.026 728 HB2 TYR 96 HB2 TYR 96 5.038 9.245 -1.489 729 HB3 TYR 96 HB3 TYR 96 6.647 9.550 -2.117 730 HD1 TYR 96 HD1 TYR 96 4.630 7.412 0.151 731 HD2 TYR 96 HD2 TYR 96 8.334 7.791 -1.993 732 HE1 TYR 96 HE1 TYR 96 5.158 5.055 0.654 733 HE2 TYR 96 HE2 TYR 96 8.860 5.423 -1.484 734 HH TYR 96 HH TYR 96 6.534 3.262 -0.278 735 H TRP 97 H TRP 97 4.379 9.941 1.503 736 HA TRP 97 HA TRP 97 5.873 8.640 3.670 737 HB2 TRP 97 HB2 TRP 97 3.123 9.899 3.600 738 HB3 TRP 97 HB3 TRP 97 3.811 9.086 5.004 739 HD1 TRP 97 HD1 TRP 97 5.783 10.284 6.293 740 HE1 TRP 97 HE1 TRP 97 6.641 12.714 6.276 741 HE3 TRP 97 HE3 TRP 97 3.486 12.007 2.067 742 HZ2 TRP 97 HZ2 TRP 97 6.392 15.069 4.687 743 HZ3 TRP 97 HZ3 TRP 97 3.818 14.353 1.325 744 HH2 TRP 97 HH2 TRP 97 5.268 15.882 2.631 745 H CYS 98 H CYS 98 5.816 6.499 3.792 746 HA CYS 98 HA CYS 98 3.774 4.944 2.379 747 HB2 CYS 98 HB2 CYS 98 6.201 4.219 2.396 748 HB3 CYS 98 HB3 CYS 98 6.077 4.019 4.138 749 H ARG 99 H ARG 99 1.824 4.776 3.443 750 HA ARG 99 HA ARG 99 1.914 4.541 6.391 751 HB2 ARG 99 HB2 ARG 99 0.903 6.626 5.469 752 HB3 ARG 99 HB3 ARG 99 -0.320 5.643 4.677 753 HG2 ARG 99 HG2 ARG 99 -1.288 4.953 6.717 754 HG3 ARG 99 HG3 ARG 99 0.138 5.399 7.654 755 HD2 ARG 99 HD2 ARG 99 -1.644 7.052 8.006 756 HD3 ARG 99 HD3 ARG 99 -0.290 7.785 7.163 757 HE ARG 99 HE ARG 99 -2.252 6.803 5.318 758 HH11 ARG 99 HH11 ARG 99 -1.568 9.464 7.512 759 HH12 ARG 99 HH12 ARG 99 -2.570 10.587 6.654 760 HH21 ARG 99 HH21 ARG 99 -3.560 8.302 4.237 761 HH22 ARG 99 HH22 ARG 99 -3.690 9.932 4.808 762 H PHE 100 H PHE 100 1.425 2.649 7.166 763 HA PHE 100 HA PHE 100 -0.201 0.718 5.620 764 HB2 PHE 100 HB2 PHE 100 1.991 -0.027 6.492 765 HB3 PHE 100 HB3 PHE 100 1.504 0.412 8.124 766 HD1 PHE 100 HD1 PHE 100 0.908 -1.939 5.316 767 HD2 PHE 100 HD2 PHE 100 0.021 -0.984 9.405 768 HE1 PHE 100 HE1 PHE 100 -0.103 -4.187 5.627 769 HE2 PHE 100 HE2 PHE 100 -0.986 -3.221 9.713 770 HZ PHE 100 HZ PHE 100 -1.045 -4.818 7.843 771 H GLN 101 H GLN 101 -2.317 0.484 6.119 772 HA GLN 101 HA GLN 101 -3.259 1.374 8.778 773 HB2 GLN 101 HB2 GLN 101 -4.053 2.864 7.000 774 HB3 GLN 101 HB3 GLN 101 -4.705 1.507 6.104 775 HG2 GLN 101 HG2 GLN 101 -6.537 2.557 7.290 776 HG3 GLN 101 HG3 GLN 101 -6.205 1.021 8.083 777 HE21 GLN 101 HE21 GLN 101 -6.231 1.227 10.315 778 HE22 GLN 101 HE22 GLN 101 -5.729 2.602 11.174 779 H GLU 102 H GLU 102 -3.994 -0.150 10.018 780 HA GLU 102 HA GLU 102 -5.567 -2.374 8.982 781 HB2 GLU 102 HB2 GLU 102 -3.225 -3.209 8.923 782 HB3 GLU 102 HB3 GLU 102 -3.063 -2.829 10.636 783 HG2 GLU 102 HG2 GLU 102 -3.577 -5.215 10.379 784 HG3 GLU 102 HG3 GLU 102 -4.933 -4.396 11.145 785 H GLY 103 H GLY 103 -7.207 -2.826 10.364 786 HA2 GLY 103 HA2 GLY 103 -8.591 -2.696 12.205 787 HA3 GLY 103 HA3 GLY 103 -7.123 -2.708 13.182 788 H ASP 104 H ASP 104 -7.256 -1.057 14.588 789 HA ASP 104 HA ASP 104 -8.224 1.569 13.628 790 HB2 ASP 104 HB2 ASP 104 -9.239 0.311 15.690 791 HB3 ASP 104 HB3 ASP 104 -7.822 0.936 16.529 792 H TYR 105 H TYR 105 -5.359 0.181 13.646 793 HA TYR 105 HA TYR 105 -3.935 2.588 14.613 794 HB2 TYR 105 HB2 TYR 105 -3.066 -0.293 14.886 795 HB3 TYR 105 HB3 TYR 105 -2.029 1.096 15.208 796 HD1 TYR 105 HD1 TYR 105 -4.992 -0.792 16.328 797 HD2 TYR 105 HD2 TYR 105 -2.379 2.517 17.138 798 HE1 TYR 105 HE1 TYR 105 -5.926 -0.614 18.615 799 HE2 TYR 105 HE2 TYR 105 -3.308 2.698 19.421 800 HH TYR 105 HH TYR 105 -5.466 2.068 20.585 801 H TRP 106 H TRP 106 -2.259 3.347 13.391 802 HA TRP 106 HA TRP 106 -1.314 1.822 11.112 803 HB2 TRP 106 HB2 TRP 106 -1.764 3.588 9.452 804 HB3 TRP 106 HB3 TRP 106 -3.270 3.012 10.173 805 HD1 TRP 106 HD1 TRP 106 -1.103 6.030 9.725 806 HE1 TRP 106 HE1 TRP 106 -2.226 8.090 10.827 807 HE3 TRP 106 HE3 TRP 106 -4.879 3.726 12.277 808 HZ2 TRP 106 HZ2 TRP 106 -4.434 8.667 12.555 809 HZ3 TRP 106 HZ3 TRP 106 -6.476 5.047 13.638 810 HH2 TRP 106 HH2 TRP 106 -6.258 7.513 13.780 811 H ARG 107 H ARG 107 0.571 2.762 10.124 812 HA ARG 107 HA ARG 107 1.931 4.876 11.623 813 HB2 ARG 107 HB2 ARG 107 2.669 1.999 11.633 814 HB3 ARG 107 HB3 ARG 107 4.007 3.105 11.381 815 HG2 ARG 107 HG2 ARG 107 2.022 3.494 13.643 816 HG3 ARG 107 HG3 ARG 107 3.451 2.480 13.836 817 HD2 ARG 107 HD2 ARG 107 3.512 5.380 12.965 818 HD3 ARG 107 HD3 ARG 107 3.829 4.818 14.603 819 HE ARG 107 HE ARG 107 5.554 3.369 12.986 820 HH11 ARG 107 HH11 ARG 107 5.024 6.776 13.645 821 HH12 ARG 107 HH12 ARG 107 6.669 7.218 13.332 822 HH21 ARG 107 HH21 ARG 107 7.688 3.987 12.578 823 HH22 ARG 107 HH22 ARG 107 8.166 5.645 12.730 824 H GLU 108 H GLU 108 3.527 5.978 10.466 825 HA GLU 108 HA GLU 108 4.072 5.081 7.757 826 HB2 GLU 108 HB2 GLU 108 3.346 7.227 6.740 827 HB3 GLU 108 HB3 GLU 108 2.011 6.327 7.453 828 HG2 GLU 108 HG2 GLU 108 1.614 8.484 8.270 829 HG3 GLU 108 HG3 GLU 108 2.514 7.764 9.599 830 H THR 109 H THR 109 5.806 5.988 6.725 831 HA THR 109 HA THR 109 7.407 8.021 8.105 832 HB THR 109 HB THR 109 8.651 5.403 7.219 833 HG1 THR 109 HG1 THR 109 8.169 4.659 9.119 834 HG21 THR 109 HG21 THR 109 9.694 7.621 8.990 835 HG22 THR 109 HG22 THR 109 10.055 7.489 7.270 836 HG23 THR 109 HG23 THR 109 10.587 6.229 8.387 837 H SER 110 H SER 110 8.696 9.261 6.684 838 HA SER 110 HA SER 110 7.855 9.194 3.933 839 HB2 SER 110 HB2 SER 110 9.077 11.258 3.689 840 HB3 SER 110 HB3 SER 110 8.186 11.296 5.208 841 HG SER 110 HG SER 110 10.354 11.973 5.467 842 H VAL 111 H VAL 111 9.199 9.135 2.103 843 HA VAL 111 HA VAL 111 11.819 7.797 2.397 844 HB VAL 111 HB VAL 111 9.744 7.152 0.261 845 HG11 VAL 111 HG11 VAL 111 11.270 5.326 -0.338 846 HG12 VAL 111 HG12 VAL 111 12.372 5.809 0.948 847 HG13 VAL 111 HG13 VAL 111 12.124 6.864 -0.434 848 HG21 VAL 111 HG21 VAL 111 9.249 6.345 2.676 849 HG22 VAL 111 HG22 VAL 111 10.656 5.301 2.485 850 HG23 VAL 111 HG23 VAL 111 9.269 5.116 1.413 851 H LEU 112 H LEU 112 13.357 8.317 0.698 852 HA LEU 112 HA LEU 112 12.809 10.978 -0.429 853 HB2 LEU 112 HB2 LEU 112 15.480 9.533 -0.341 854 HB3 LEU 112 HB3 LEU 112 15.213 11.219 -0.746 855 HG LEU 112 HG LEU 112 16.033 11.200 1.499 856 HD11 LEU 112 HD11 LEU 112 13.067 11.421 1.996 857 HD12 LEU 112 HD12 LEU 112 13.946 12.617 1.045 858 HD13 LEU 112 HD13 LEU 112 14.379 12.343 2.731 859 HD21 LEU 112 HD21 LEU 112 15.317 8.679 1.785 860 HD22 LEU 112 HD22 LEU 112 13.872 9.364 2.527 861 HD23 LEU 112 HD23 LEU 112 15.461 9.712 3.205 862 H LEU 113 H LEU 113 12.050 11.141 -2.425 863 HA LEU 113 HA LEU 113 13.172 9.379 -4.523 864 HB2 LEU 113 HB2 LEU 113 10.393 10.299 -5.090 865 HB3 LEU 113 HB3 LEU 113 11.150 8.750 -5.412 866 HG LEU 113 HG LEU 113 9.333 8.357 -3.906 867 HD11 LEU 113 HD11 LEU 113 10.398 6.954 -2.522 868 HD12 LEU 113 HD12 LEU 113 11.269 8.240 -1.702 869 HD13 LEU 113 HD13 LEU 113 11.895 7.573 -3.206 870 HD21 LEU 113 HD21 LEU 113 9.407 10.884 -3.128 871 HD22 LEU 113 HD22 LEU 113 10.370 10.237 -1.805 872 HD23 LEU 113 HD23 LEU 113 8.735 9.662 -2.056 873 H GLN 114 H GLN 114 14.250 10.554 -5.942 874 HA GLN 114 HA GLN 114 13.228 13.243 -6.652 875 HB2 GLN 114 HB2 GLN 114 16.098 12.340 -6.343 876 HB3 GLN 114 HB3 GLN 114 15.637 13.822 -7.185 877 HG2 GLN 114 HG2 GLN 114 16.090 14.501 -4.952 878 HG3 GLN 114 HG3 GLN 114 14.333 14.440 -5.056 879 HE21 GLN 114 HE21 GLN 114 13.480 13.484 -3.221 880 HE22 GLN 114 HE22 GLN 114 14.182 12.198 -2.366 881 H VAL 115 H VAL 115 13.160 13.754 -8.809 882 HA VAL 115 HA VAL 115 13.755 11.508 -10.659 883 HB VAL 115 HB VAL 115 11.812 12.243 -12.002 884 HG11 VAL 115 HG11 VAL 115 10.045 11.787 -10.073 885 HG12 VAL 115 HG12 VAL 115 11.480 11.467 -9.108 886 HG13 VAL 115 HG13 VAL 115 11.171 10.525 -10.566 887 HG21 VAL 115 HG21 VAL 115 11.656 14.357 -9.839 888 HG22 VAL 115 HG22 VAL 115 10.212 13.887 -10.732 889 HG23 VAL 115 HG23 VAL 115 11.593 14.574 -11.586 890 H ALA 116 H ALA 116 14.900 11.874 -12.435 891 HA ALA 116 HA ALA 116 16.328 14.335 -12.736 892 HB1 ALA 116 HB1 ALA 116 16.846 13.045 -15.057 893 HB2 ALA 116 HB2 ALA 116 16.280 11.694 -14.076 894 HB3 ALA 116 HB3 ALA 116 17.648 12.663 -13.535 895 H ALA 117 H ALA 117 16.137 15.934 -14.274 896 HA ALA 117 HA ALA 117 13.498 16.266 -15.446 897 HB1 ALA 117 HB1 ALA 117 14.012 18.511 -15.659 898 HB2 ALA 117 HB2 ALA 117 15.733 18.202 -15.893 899 HB3 ALA 117 HB3 ALA 117 15.025 18.068 -14.284 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 2.647 -1.947 19.661 2 H2 MET 1 HT2 MET 1 2.886 -0.295 19.980 3 H3 MET 1 HT3 MET 1 4.180 -1.388 20.119 4 HA MET 1 HA MET 1 2.977 -0.199 17.739 5 HB2 MET 1 HB2 MET 1 5.800 -1.135 18.412 6 HB3 MET 1 HB3 MET 1 5.339 -0.183 17.004 7 HG2 MET 1 HG2 MET 1 4.992 0.715 19.887 8 HG3 MET 1 HG3 MET 1 6.308 1.222 18.828 9 HE1 MET 1 HE1 MET 1 4.515 4.454 18.945 10 HE2 MET 1 HE2 MET 1 5.621 3.349 19.753 11 HE3 MET 1 HE3 MET 1 3.929 3.396 20.238 12 H ASP 2 H ASP 2 1.508 -2.081 17.429 13 HA ASP 2 HA ASP 2 2.405 -4.709 16.959 14 HB2 ASP 2 HB2 ASP 2 -0.040 -3.221 15.986 15 HB3 ASP 2 HB3 ASP 2 0.234 -4.926 15.654 16 H PHE 3 H PHE 3 1.967 -1.964 14.750 17 HA PHE 3 HA PHE 3 3.630 -3.369 12.767 18 HB2 PHE 3 HB2 PHE 3 1.068 -1.873 12.157 19 HB3 PHE 3 HB3 PHE 3 2.201 -2.472 10.947 20 HD1 PHE 3 HD1 PHE 3 -0.389 -3.377 13.374 21 HD2 PHE 3 HD2 PHE 3 2.531 -4.901 10.619 22 HE1 PHE 3 HE1 PHE 3 -1.469 -5.607 13.463 23 HE2 PHE 3 HE2 PHE 3 1.453 -7.131 10.708 24 HZ PHE 3 HZ PHE 3 -0.549 -7.485 12.130 25 H ARG 4 H ARG 4 4.945 -2.052 11.506 26 HA ARG 4 HA ARG 4 4.851 0.825 11.945 27 HB2 ARG 4 HB2 ARG 4 6.410 -0.346 13.680 28 HB3 ARG 4 HB3 ARG 4 7.505 -0.545 12.312 29 HG2 ARG 4 HG2 ARG 4 7.117 2.019 11.915 30 HG3 ARG 4 HG3 ARG 4 6.512 2.023 13.568 31 HD2 ARG 4 HD2 ARG 4 8.693 0.893 14.230 32 HD3 ARG 4 HD3 ARG 4 9.246 1.249 12.592 33 HE ARG 4 HE ARG 4 8.912 3.161 14.755 34 HH11 ARG 4 HH11 ARG 4 9.127 2.769 11.275 35 HH12 ARG 4 HH12 ARG 4 9.636 4.402 11.002 36 HH21 ARG 4 HH21 ARG 4 9.590 5.278 14.356 37 HH22 ARG 4 HH22 ARG 4 9.890 5.812 12.735 38 H VAL 5 H VAL 5 5.917 2.029 10.388 39 HA VAL 5 HA VAL 5 6.867 0.551 8.005 40 HB VAL 5 HB VAL 5 5.331 3.155 8.102 41 HG11 VAL 5 HG11 VAL 5 5.368 3.135 5.718 42 HG12 VAL 5 HG12 VAL 5 5.961 1.477 5.654 43 HG13 VAL 5 HG13 VAL 5 7.025 2.769 6.199 44 HG21 VAL 5 HG21 VAL 5 3.480 1.877 7.056 45 HG22 VAL 5 HG22 VAL 5 3.898 1.198 8.630 46 HG23 VAL 5 HG23 VAL 5 4.444 0.402 7.152 47 H VAL 6 H VAL 6 8.851 1.170 7.256 48 HA VAL 6 HA VAL 6 10.081 3.603 8.428 49 HB VAL 6 HB VAL 6 11.483 0.949 7.956 50 HG11 VAL 6 HG11 VAL 6 13.471 1.929 8.617 51 HG12 VAL 6 HG12 VAL 6 12.688 3.137 9.630 52 HG13 VAL 6 HG13 VAL 6 12.723 3.347 7.891 53 HG21 VAL 6 HG21 VAL 6 11.026 2.179 10.683 54 HG22 VAL 6 HG22 VAL 6 11.360 0.503 10.270 55 HG23 VAL 6 HG23 VAL 6 9.768 1.181 9.953 56 H GLY 7 H GLY 7 11.070 4.937 7.037 57 HA2 GLY 7 HA2 GLY 7 11.430 4.068 4.212 58 HA3 GLY 7 HA3 GLY 7 10.972 5.684 4.704 59 HA PRO 8 HA PRO 8 15.652 5.528 5.657 60 HB2 PRO 8 HB2 PRO 8 17.050 3.304 5.832 61 HB3 PRO 8 HB3 PRO 8 15.850 3.681 7.090 62 HG2 PRO 8 HG2 PRO 8 15.652 1.771 4.812 63 HG3 PRO 8 HG3 PRO 8 15.093 1.592 6.485 64 HD2 PRO 8 HD2 PRO 8 13.485 2.379 4.313 65 HD3 PRO 8 HD3 PRO 8 13.076 2.573 6.030 66 H ASN 9 H ASN 9 14.300 4.088 2.946 67 HA ASN 9 HA ASN 9 16.406 3.261 1.349 68 HB2 ASN 9 HB2 ASN 9 13.786 4.520 0.534 69 HB3 ASN 9 HB3 ASN 9 14.855 3.601 -0.525 70 HD21 ASN 9 HD21 ASN 9 12.054 3.208 1.134 71 HD22 ASN 9 HD22 ASN 9 12.176 1.566 1.546 72 H LEU 10 H LEU 10 17.709 4.203 -0.092 73 HA LEU 10 HA LEU 10 18.415 6.956 0.223 74 HB2 LEU 10 HB2 LEU 10 19.314 4.820 -1.734 75 HB3 LEU 10 HB3 LEU 10 20.002 6.439 -1.687 76 HG LEU 10 HG LEU 10 19.925 4.602 0.731 77 HD11 LEU 10 HD11 LEU 10 21.287 3.610 -1.093 78 HD12 LEU 10 HD12 LEU 10 22.292 4.134 0.257 79 HD13 LEU 10 HD13 LEU 10 22.206 5.111 -1.208 80 HD21 LEU 10 HD21 LEU 10 20.196 6.930 1.348 81 HD22 LEU 10 HD22 LEU 10 21.373 7.191 0.062 82 HD23 LEU 10 HD23 LEU 10 21.792 6.185 1.448 83 HA PRO 11 HA PRO 11 15.810 8.926 -2.774 84 HB2 PRO 11 HB2 PRO 11 17.549 10.451 -4.295 85 HB3 PRO 11 HB3 PRO 11 16.933 10.914 -2.694 86 HG2 PRO 11 HG2 PRO 11 19.534 9.654 -3.420 87 HG3 PRO 11 HG3 PRO 11 19.195 10.955 -2.263 88 HD2 PRO 11 HD2 PRO 11 19.632 8.466 -1.395 89 HD3 PRO 11 HD3 PRO 11 18.390 9.484 -0.627 90 H ILE 12 H ILE 12 14.891 8.307 -4.683 91 HA ILE 12 HA ILE 12 16.494 6.609 -6.495 92 HB ILE 12 HB ILE 12 13.459 6.805 -6.213 93 HG12 ILE 12 HG12 ILE 12 15.307 4.513 -5.440 94 HG13 ILE 12 HG13 ILE 12 14.793 5.740 -4.287 95 HG21 ILE 12 HG21 ILE 12 14.041 6.164 -8.481 96 HG22 ILE 12 HG22 ILE 12 13.540 4.704 -7.627 97 HG23 ILE 12 HG23 ILE 12 15.253 5.020 -7.898 98 HD11 ILE 12 HD11 ILE 12 13.413 3.533 -4.434 99 HD12 ILE 12 HD12 ILE 12 12.750 4.221 -5.915 100 HD13 ILE 12 HD13 ILE 12 12.535 5.060 -4.377 101 H LEU 13 H LEU 13 17.110 7.427 -8.373 102 HA LEU 13 HA LEU 13 15.871 9.917 -9.295 103 HB2 LEU 13 HB2 LEU 13 18.462 9.481 -8.752 104 HB3 LEU 13 HB3 LEU 13 18.457 8.978 -10.440 105 HG LEU 13 HG LEU 13 17.241 11.597 -9.548 106 HD11 LEU 13 HD11 LEU 13 19.393 12.653 -10.304 107 HD12 LEU 13 HD12 LEU 13 20.097 11.039 -10.407 108 HD13 LEU 13 HD13 LEU 13 19.568 11.672 -8.849 109 HD21 LEU 13 HD21 LEU 13 16.596 10.819 -11.777 110 HD22 LEU 13 HD22 LEU 13 18.286 10.539 -12.200 111 HD23 LEU 13 HD23 LEU 13 17.701 12.183 -11.947 112 H ALA 14 H ALA 14 14.518 9.827 -10.931 113 HA ALA 14 HA ALA 14 15.070 7.990 -13.168 114 HB1 ALA 14 HB1 ALA 14 12.233 8.516 -12.377 115 HB2 ALA 14 HB2 ALA 14 13.153 7.296 -11.495 116 HB3 ALA 14 HB3 ALA 14 12.921 7.138 -13.236 117 H LYS 15 H LYS 15 14.784 8.864 -15.165 118 HA LYS 15 HA LYS 15 14.550 11.707 -15.403 119 HB2 LYS 15 HB2 LYS 15 14.660 9.526 -17.493 120 HB3 LYS 15 HB3 LYS 15 14.710 11.255 -17.851 121 HG2 LYS 15 HG2 LYS 15 16.725 11.459 -16.382 122 HG3 LYS 15 HG3 LYS 15 16.706 9.711 -16.162 123 HD2 LYS 15 HD2 LYS 15 16.855 11.025 -18.890 124 HD3 LYS 15 HD3 LYS 15 18.286 10.564 -17.973 125 HE2 LYS 15 HE2 LYS 15 17.467 8.218 -17.904 126 HE3 LYS 15 HE3 LYS 15 16.073 8.689 -18.876 127 HZ1 LYS 15 HZ1 LYS 15 18.911 8.551 -19.647 128 HZ2 LYS 15 HZ2 LYS 15 17.861 9.602 -20.472 129 HZ3 LYS 15 HZ3 LYS 15 17.552 7.931 -20.449 130 H VAL 16 H VAL 16 12.938 12.955 -16.344 131 HA VAL 16 HA VAL 16 10.254 12.127 -15.976 132 HB VAL 16 HB VAL 16 10.897 14.492 -15.855 133 HG11 VAL 16 HG11 VAL 16 11.318 15.706 -18.059 134 HG12 VAL 16 HG12 VAL 16 11.539 14.119 -18.795 135 HG13 VAL 16 HG13 VAL 16 12.626 14.657 -17.514 136 HG21 VAL 16 HG21 VAL 16 8.552 13.885 -16.502 137 HG22 VAL 16 HG22 VAL 16 9.011 14.032 -18.196 138 HG23 VAL 16 HG23 VAL 16 9.053 15.448 -17.148 139 H GLY 17 H GLY 17 8.740 11.361 -17.344 140 HA2 GLY 17 HA2 GLY 17 7.804 10.762 -19.459 141 HA3 GLY 17 HA3 GLY 17 9.411 10.872 -20.173 142 H GLU 18 H GLU 18 10.468 9.373 -17.725 143 HA GLU 18 HA GLU 18 9.840 6.644 -18.636 144 HB2 GLU 18 HB2 GLU 18 12.195 7.904 -17.237 145 HB3 GLU 18 HB3 GLU 18 11.892 6.178 -17.052 146 HG2 GLU 18 HG2 GLU 18 13.409 6.459 -18.913 147 HG3 GLU 18 HG3 GLU 18 11.842 5.993 -19.569 148 H ASP 19 H ASP 19 9.789 4.994 -16.827 149 HA ASP 19 HA ASP 19 7.823 5.834 -14.904 150 HB2 ASP 19 HB2 ASP 19 7.833 3.463 -14.206 151 HB3 ASP 19 HB3 ASP 19 7.656 3.646 -15.953 152 H ALA 20 H ALA 20 7.978 5.526 -12.613 153 HA ALA 20 HA ALA 20 10.694 5.775 -11.479 154 HB1 ALA 20 HB1 ALA 20 8.258 7.476 -11.043 155 HB2 ALA 20 HB2 ALA 20 9.936 7.970 -11.266 156 HB3 ALA 20 HB3 ALA 20 9.421 7.264 -9.734 157 H LEU 21 H LEU 21 10.756 5.209 -9.110 158 HA LEU 21 HA LEU 21 8.723 3.131 -8.513 159 HB2 LEU 21 HB2 LEU 21 11.011 2.328 -9.278 160 HB3 LEU 21 HB3 LEU 21 11.620 2.890 -7.727 161 HG LEU 21 HG LEU 21 9.138 1.171 -7.616 162 HD11 LEU 21 HD11 LEU 21 10.256 -0.158 -9.215 163 HD12 LEU 21 HD12 LEU 21 10.627 -0.902 -7.661 164 HD13 LEU 21 HD13 LEU 21 11.831 0.108 -8.464 165 HD21 LEU 21 HD21 LEU 21 11.709 1.409 -6.016 166 HD22 LEU 21 HD22 LEU 21 10.472 0.201 -5.674 167 HD23 LEU 21 HD23 LEU 21 10.092 1.917 -5.526 168 H LEU 22 H LEU 22 7.652 3.387 -6.743 169 HA LEU 22 HA LEU 22 8.668 5.084 -4.533 170 HB2 LEU 22 HB2 LEU 22 5.827 4.044 -4.714 171 HB3 LEU 22 HB3 LEU 22 6.408 5.495 -3.917 172 HG LEU 22 HG LEU 22 6.197 5.094 -6.934 173 HD11 LEU 22 HD11 LEU 22 4.312 6.560 -6.873 174 HD12 LEU 22 HD12 LEU 22 4.586 6.953 -5.177 175 HD13 LEU 22 HD13 LEU 22 4.037 5.340 -5.630 176 HD21 LEU 22 HD21 LEU 22 8.037 6.651 -6.104 177 HD22 LEU 22 HD22 LEU 22 6.762 7.661 -5.422 178 HD23 LEU 22 HD23 LEU 22 6.845 7.399 -7.164 179 H THR 23 H THR 23 9.574 3.852 -2.850 180 HA THR 23 HA THR 23 8.203 1.321 -2.163 181 HB THR 23 HB THR 23 10.040 0.663 -3.599 182 HG1 THR 23 HG1 THR 23 9.632 -0.732 -1.931 183 HG21 THR 23 HG21 THR 23 12.322 1.215 -3.169 184 HG22 THR 23 HG22 THR 23 11.936 1.886 -1.585 185 HG23 THR 23 HG23 THR 23 11.435 2.734 -3.048 186 H CYS 24 H CYS 24 8.316 0.574 -0.132 187 HA CYS 24 HA CYS 24 9.879 1.930 1.923 188 HB2 CYS 24 HB2 CYS 24 7.938 2.358 3.357 189 HB3 CYS 24 HB3 CYS 24 7.797 3.254 1.846 190 H GLN 25 H GLN 25 9.661 0.762 4.053 191 HA GLN 25 HA GLN 25 9.269 -2.129 3.547 192 HB2 GLN 25 HB2 GLN 25 11.162 -0.717 5.430 193 HB3 GLN 25 HB3 GLN 25 10.925 -2.465 5.380 194 HG2 GLN 25 HG2 GLN 25 11.602 -2.497 3.008 195 HG3 GLN 25 HG3 GLN 25 11.836 -0.750 3.049 196 HE21 GLN 25 HE21 GLN 25 14.111 -0.614 2.846 197 HE22 GLN 25 HE22 GLN 25 15.198 -1.341 3.928 198 H LEU 26 H LEU 26 7.655 -3.068 4.523 199 HA LEU 26 HA LEU 26 6.870 -2.223 7.224 200 HB2 LEU 26 HB2 LEU 26 4.469 -2.528 6.643 201 HB3 LEU 26 HB3 LEU 26 5.228 -1.197 5.779 202 HG LEU 26 HG LEU 26 5.671 -3.069 3.915 203 HD11 LEU 26 HD11 LEU 26 4.847 -5.016 4.982 204 HD12 LEU 26 HD12 LEU 26 3.559 -4.568 3.873 205 HD13 LEU 26 HD13 LEU 26 3.417 -4.185 5.589 206 HD21 LEU 26 HD21 LEU 26 3.389 -2.500 2.929 207 HD22 LEU 26 HD22 LEU 26 4.345 -1.105 3.430 208 HD23 LEU 26 HD23 LEU 26 3.022 -1.676 4.446 209 H LEU 27 H LEU 27 5.881 -3.894 8.512 210 HA LEU 27 HA LEU 27 6.702 -6.589 7.620 211 HB2 LEU 27 HB2 LEU 27 7.796 -5.730 9.668 212 HB3 LEU 27 HB3 LEU 27 6.220 -5.544 10.430 213 HG LEU 27 HG LEU 27 5.851 -8.024 10.120 214 HD11 LEU 27 HD11 LEU 27 7.372 -8.505 8.301 215 HD12 LEU 27 HD12 LEU 27 7.930 -9.400 9.714 216 HD13 LEU 27 HD13 LEU 27 8.749 -7.914 9.232 217 HD21 LEU 27 HD21 LEU 27 8.380 -7.396 11.670 218 HD22 LEU 27 HD22 LEU 27 7.196 -8.656 12.021 219 HD23 LEU 27 HD23 LEU 27 6.767 -6.958 12.233 220 HA PRO 28 HA PRO 28 2.097 -7.138 7.650 221 HB2 PRO 28 HB2 PRO 28 1.918 -9.174 5.922 222 HB3 PRO 28 HB3 PRO 28 2.247 -7.517 5.366 223 HG2 PRO 28 HG2 PRO 28 4.149 -9.782 5.766 224 HG3 PRO 28 HG3 PRO 28 4.043 -8.623 4.428 225 HD2 PRO 28 HD2 PRO 28 5.843 -8.371 6.483 226 HD3 PRO 28 HD3 PRO 28 5.211 -6.987 5.564 227 H LYS 29 H LYS 29 0.796 -8.568 8.789 228 HA LYS 29 HA LYS 29 2.164 -10.655 10.348 229 HB2 LYS 29 HB2 LYS 29 0.072 -10.813 11.632 230 HB3 LYS 29 HB3 LYS 29 0.691 -9.168 11.590 231 HG2 LYS 29 HG2 LYS 29 -1.104 -8.358 10.414 232 HG3 LYS 29 HG3 LYS 29 -1.204 -9.757 9.361 233 HD2 LYS 29 HD2 LYS 29 -3.198 -9.887 10.610 234 HD3 LYS 29 HD3 LYS 29 -2.129 -11.013 11.444 235 HE2 LYS 29 HE2 LYS 29 -2.390 -8.115 12.271 236 HE3 LYS 29 HE3 LYS 29 -3.416 -9.386 12.937 237 HZ1 LYS 29 HZ1 LYS 29 -0.513 -9.005 13.230 238 HZ2 LYS 29 HZ2 LYS 29 -1.177 -10.563 13.369 239 HZ3 LYS 29 HZ3 LYS 29 -1.676 -9.326 14.420 240 H ARG 30 H ARG 30 -0.002 -10.348 7.698 241 HA ARG 30 HA ARG 30 0.119 -13.103 6.964 242 HB2 ARG 30 HB2 ARG 30 -1.795 -12.676 8.861 243 HB3 ARG 30 HB3 ARG 30 -2.713 -12.237 7.429 244 HG2 ARG 30 HG2 ARG 30 -3.143 -14.544 7.589 245 HG3 ARG 30 HG3 ARG 30 -1.809 -14.509 6.446 246 HD2 ARG 30 HD2 ARG 30 -1.205 -16.182 8.009 247 HD3 ARG 30 HD3 ARG 30 -0.262 -14.771 8.477 248 HE ARG 30 HE ARG 30 -2.725 -14.757 9.884 249 HH11 ARG 30 HH11 ARG 30 0.307 -16.529 9.802 250 HH12 ARG 30 HH12 ARG 30 0.226 -16.986 11.471 251 HH21 ARG 30 HH21 ARG 30 -2.795 -15.378 12.055 252 HH22 ARG 30 HH22 ARG 30 -1.523 -16.337 12.737 253 H THR 31 H THR 31 -1.864 -13.266 5.095 254 HA THR 31 HA THR 31 -1.096 -11.694 2.962 255 HB THR 31 HB THR 31 -3.298 -12.280 1.958 256 HG1 THR 31 HG1 THR 31 -3.816 -13.466 4.471 257 HG21 THR 31 HG21 THR 31 -1.508 -13.919 1.861 258 HG22 THR 31 HG22 THR 31 -3.034 -14.750 2.162 259 HG23 THR 31 HG23 THR 31 -1.899 -14.485 3.485 260 H THR 32 H THR 32 -1.999 -9.823 1.971 261 HA THR 32 HA THR 32 -2.879 -7.892 3.954 262 HB THR 32 HB THR 32 -2.351 -6.183 2.320 263 HG1 THR 32 HG1 THR 32 -2.344 -6.644 0.273 264 HG21 THR 32 HG21 THR 32 -0.214 -8.324 2.251 265 HG22 THR 32 HG22 THR 32 -0.513 -7.263 3.627 266 HG23 THR 32 HG23 THR 32 0.023 -6.583 2.090 267 H ALA 33 H ALA 33 -4.834 -9.808 3.280 268 HA ALA 33 HA ALA 33 -6.810 -8.863 1.493 269 HB1 ALA 33 HB1 ALA 33 -8.266 -10.449 2.514 270 HB2 ALA 33 HB2 ALA 33 -7.313 -10.469 3.998 271 HB3 ALA 33 HB3 ALA 33 -6.659 -11.176 2.521 272 H HIS 34 H HIS 34 -6.157 -8.274 4.922 273 HA HIS 34 HA HIS 34 -8.300 -6.232 4.973 274 HB2 HIS 34 HB2 HIS 34 -8.369 -8.310 6.563 275 HB3 HIS 34 HB3 HIS 34 -7.101 -7.468 7.453 276 HD2 HIS 34 HD2 HIS 34 -10.935 -7.410 7.131 277 HE1 HIS 34 HE1 HIS 34 -9.873 -3.888 9.200 278 HE2 HIS 34 HE2 HIS 34 -11.811 -5.379 8.516 279 H MET 35 H MET 35 -5.590 -5.816 3.958 280 HA MET 35 HA MET 35 -4.648 -3.765 5.877 281 HB2 MET 35 HB2 MET 35 -3.055 -5.737 4.245 282 HB3 MET 35 HB3 MET 35 -2.342 -4.221 4.790 283 HG2 MET 35 HG2 MET 35 -1.792 -5.753 6.500 284 HG3 MET 35 HG3 MET 35 -3.187 -4.892 7.146 285 HE1 MET 35 HE1 MET 35 -2.840 -9.042 7.654 286 HE2 MET 35 HE2 MET 35 -2.604 -7.567 8.585 287 HE3 MET 35 HE3 MET 35 -1.577 -7.890 7.192 288 H GLU 36 H GLU 36 -3.836 -1.840 5.009 289 HA GLU 36 HA GLU 36 -4.288 -1.418 2.114 290 HB2 GLU 36 HB2 GLU 36 -6.210 -0.551 3.460 291 HB3 GLU 36 HB3 GLU 36 -5.094 0.530 4.283 292 HG2 GLU 36 HG2 GLU 36 -4.643 0.921 1.472 293 HG3 GLU 36 HG3 GLU 36 -6.384 0.869 1.708 294 H VAL 37 H VAL 37 -2.761 -0.265 1.074 295 HA VAL 37 HA VAL 37 -0.668 1.075 2.684 296 HB VAL 37 HB VAL 37 -0.290 -0.448 0.076 297 HG11 VAL 37 HG11 VAL 37 2.147 -0.046 0.526 298 HG12 VAL 37 HG12 VAL 37 1.687 1.017 1.856 299 HG13 VAL 37 HG13 VAL 37 1.250 1.439 0.202 300 HG21 VAL 37 HG21 VAL 37 -0.580 -2.014 1.900 301 HG22 VAL 37 HG22 VAL 37 0.478 -1.073 2.949 302 HG23 VAL 37 HG23 VAL 37 1.148 -1.927 1.560 303 H ARG 38 H ARG 38 -0.351 3.204 2.227 304 HA ARG 38 HA ARG 38 -1.582 4.274 -0.253 305 HB2 ARG 38 HB2 ARG 38 -1.383 5.517 2.493 306 HB3 ARG 38 HB3 ARG 38 -1.924 6.381 1.054 307 HG2 ARG 38 HG2 ARG 38 -3.791 4.890 0.761 308 HG3 ARG 38 HG3 ARG 38 -3.189 3.801 2.010 309 HD2 ARG 38 HD2 ARG 38 -4.992 5.177 2.924 310 HD3 ARG 38 HD3 ARG 38 -3.469 5.606 3.692 311 HE ARG 38 HE ARG 38 -3.930 7.284 1.437 312 HH11 ARG 38 HH11 ARG 38 -5.096 6.759 4.713 313 HH12 ARG 38 HH12 ARG 38 -5.578 8.408 4.937 314 HH21 ARG 38 HH21 ARG 38 -4.537 9.436 1.791 315 HH22 ARG 38 HH22 ARG 38 -5.266 9.910 3.289 316 H TRP 39 H TRP 39 -0.519 5.689 -1.509 317 HA TRP 39 HA TRP 39 2.258 6.456 -0.799 318 HB2 TRP 39 HB2 TRP 39 1.107 5.720 -3.506 319 HB3 TRP 39 HB3 TRP 39 2.700 6.435 -3.276 320 HD1 TRP 39 HD1 TRP 39 4.612 4.919 -2.267 321 HE1 TRP 39 HE1 TRP 39 4.808 2.384 -1.892 322 HE3 TRP 39 HE3 TRP 39 -0.277 3.542 -2.878 323 HZ2 TRP 39 HZ2 TRP 39 3.140 0.083 -1.854 324 HZ3 TRP 39 HZ3 TRP 39 -0.939 1.161 -2.666 325 HH2 TRP 39 HH2 TRP 39 0.763 -0.569 -2.157 326 H TYR 40 H TYR 40 2.929 8.571 -1.376 327 HA TYR 40 HA TYR 40 0.781 10.422 -2.288 328 HB2 TYR 40 HB2 TYR 40 2.764 10.946 -0.053 329 HB3 TYR 40 HB3 TYR 40 1.545 12.075 -0.640 330 HD1 TYR 40 HD1 TYR 40 2.179 9.067 1.328 331 HD2 TYR 40 HD2 TYR 40 -0.876 11.629 -0.265 332 HE1 TYR 40 HE1 TYR 40 0.524 8.024 2.840 333 HE2 TYR 40 HE2 TYR 40 -2.536 10.584 1.254 334 HH TYR 40 HH TYR 40 -1.992 7.702 2.843 335 H ARG 41 H ARG 41 1.492 12.392 -3.305 336 HA ARG 41 HA ARG 41 4.289 12.332 -4.286 337 HB2 ARG 41 HB2 ARG 41 1.779 13.181 -5.754 338 HB3 ARG 41 HB3 ARG 41 3.406 13.563 -6.318 339 HG2 ARG 41 HG2 ARG 41 3.925 11.094 -6.221 340 HG3 ARG 41 HG3 ARG 41 2.211 10.810 -5.912 341 HD2 ARG 41 HD2 ARG 41 3.313 12.274 -8.326 342 HD3 ARG 41 HD3 ARG 41 2.793 10.593 -8.324 343 HE ARG 41 HE ARG 41 0.639 12.057 -7.347 344 HH11 ARG 41 HH11 ARG 41 2.497 11.994 -10.330 345 HH12 ARG 41 HH12 ARG 41 1.169 12.525 -11.308 346 HH21 ARG 41 HH21 ARG 41 -1.067 12.739 -8.665 347 HH22 ARG 41 HH22 ARG 41 -0.835 12.943 -10.368 348 H SER 42 H SER 42 4.794 13.566 -2.348 349 HA SER 42 HA SER 42 5.295 15.504 -1.244 350 HB2 SER 42 HB2 SER 42 5.756 17.417 -2.494 351 HB3 SER 42 HB3 SER 42 5.870 16.144 -3.702 352 HG SER 42 HG SER 42 4.500 18.152 -4.085 353 H ASP 43 H ASP 43 2.257 14.564 -1.801 354 HA ASP 43 HA ASP 43 1.097 16.791 -0.274 355 HB2 ASP 43 HB2 ASP 43 -0.228 15.341 -2.585 356 HB3 ASP 43 HB3 ASP 43 -1.021 16.519 -1.537 357 HA PRO 44 HA PRO 44 0.748 12.608 1.954 358 HB2 PRO 44 HB2 PRO 44 0.702 14.594 4.191 359 HB3 PRO 44 HB3 PRO 44 1.518 13.016 4.096 360 HG2 PRO 44 HG2 PRO 44 2.937 15.192 3.842 361 HG3 PRO 44 HG3 PRO 44 3.218 13.836 2.731 362 HD2 PRO 44 HD2 PRO 44 1.745 16.402 2.217 363 HD3 PRO 44 HD3 PRO 44 2.859 15.508 1.151 364 H ASP 45 H ASP 45 -0.979 15.672 2.426 365 HA ASP 45 HA ASP 45 -3.225 14.687 3.807 366 HB2 ASP 45 HB2 ASP 45 -2.597 17.093 3.607 367 HB3 ASP 45 HB3 ASP 45 -3.143 17.056 1.932 368 H MET 46 H MET 46 -2.498 14.847 0.356 369 HA MET 46 HA MET 46 -5.109 13.596 -0.227 370 HB2 MET 46 HB2 MET 46 -4.872 15.768 -1.307 371 HB3 MET 46 HB3 MET 46 -3.354 15.263 -2.047 372 HG2 MET 46 HG2 MET 46 -4.422 13.691 -3.457 373 HG3 MET 46 HG3 MET 46 -5.907 13.710 -2.519 374 HE1 MET 46 HE1 MET 46 -7.749 15.260 -2.743 375 HE2 MET 46 HE2 MET 46 -7.707 16.876 -3.441 376 HE3 MET 46 HE3 MET 46 -6.762 16.527 -1.996 377 HA PRO 47 HA PRO 47 -2.341 10.109 -1.373 378 HB2 PRO 47 HB2 PRO 47 -4.180 8.144 -1.465 379 HB3 PRO 47 HB3 PRO 47 -3.564 8.773 0.079 380 HG2 PRO 47 HG2 PRO 47 -6.102 9.442 -1.344 381 HG3 PRO 47 HG3 PRO 47 -5.839 9.085 0.374 382 HD2 PRO 47 HD2 PRO 47 -6.060 11.635 -0.549 383 HD3 PRO 47 HD3 PRO 47 -5.039 11.214 0.847 384 H VAL 48 H VAL 48 -1.946 9.017 -3.350 385 HA VAL 48 HA VAL 48 -3.547 9.989 -5.627 386 HB VAL 48 HB VAL 48 -0.808 8.665 -5.607 387 HG11 VAL 48 HG11 VAL 48 -2.249 10.112 -7.855 388 HG12 VAL 48 HG12 VAL 48 -2.108 8.359 -7.724 389 HG13 VAL 48 HG13 VAL 48 -0.663 9.345 -7.945 390 HG21 VAL 48 HG21 VAL 48 -1.013 10.992 -4.561 391 HG22 VAL 48 HG22 VAL 48 -1.487 11.569 -6.159 392 HG23 VAL 48 HG23 VAL 48 0.111 10.861 -5.914 393 H ILE 49 H ILE 49 -1.997 6.973 -4.523 394 HA ILE 49 HA ILE 49 -4.297 5.436 -5.450 395 HB ILE 49 HB ILE 49 -2.745 5.508 -7.386 396 HG12 ILE 49 HG12 ILE 49 -2.455 2.974 -7.615 397 HG13 ILE 49 HG13 ILE 49 -3.097 2.837 -5.979 398 HG21 ILE 49 HG21 ILE 49 -0.670 5.702 -5.913 399 HG22 ILE 49 HG22 ILE 49 -0.539 4.642 -7.317 400 HG23 ILE 49 HG23 ILE 49 -0.773 3.952 -5.709 401 HD11 ILE 49 HD11 ILE 49 -4.524 4.229 -8.267 402 HD12 ILE 49 HD12 ILE 49 -5.171 3.929 -6.654 403 HD13 ILE 49 HD13 ILE 49 -4.855 2.577 -7.743 404 H MET 50 H MET 50 -4.570 3.463 -4.373 405 HA MET 50 HA MET 50 -2.647 2.844 -2.222 406 HB2 MET 50 HB2 MET 50 -4.534 2.517 -0.634 407 HB3 MET 50 HB3 MET 50 -4.383 4.189 -1.167 408 HG2 MET 50 HG2 MET 50 -6.668 3.881 -1.437 409 HG3 MET 50 HG3 MET 50 -6.110 3.415 -3.033 410 HE1 MET 50 HE1 MET 50 -7.179 2.385 0.429 411 HE2 MET 50 HE2 MET 50 -8.120 0.923 0.156 412 HE3 MET 50 HE3 MET 50 -8.639 2.440 -0.568 413 H TYR 51 H TYR 51 -2.673 0.746 -1.441 414 HA TYR 51 HA TYR 51 -3.904 -1.243 -3.250 415 HB2 TYR 51 HB2 TYR 51 -1.346 -0.967 -3.124 416 HB3 TYR 51 HB3 TYR 51 -1.470 -1.658 -1.510 417 HD1 TYR 51 HD1 TYR 51 -2.502 -2.291 -5.057 418 HD2 TYR 51 HD2 TYR 51 -1.445 -4.008 -1.263 419 HE1 TYR 51 HE1 TYR 51 -2.528 -4.553 -6.072 420 HE2 TYR 51 HE2 TYR 51 -1.476 -6.268 -2.280 421 HH TYR 51 HH TYR 51 -1.113 -7.034 -5.057 422 H ARG 52 H ARG 52 -5.693 -2.014 -2.254 423 HA ARG 52 HA ARG 52 -5.497 -2.801 0.594 424 HB2 ARG 52 HB2 ARG 52 -6.827 -0.719 0.322 425 HB3 ARG 52 HB3 ARG 52 -7.926 -1.583 -0.754 426 HG2 ARG 52 HG2 ARG 52 -8.454 -3.174 1.078 427 HG3 ARG 52 HG3 ARG 52 -7.378 -2.284 2.154 428 HD2 ARG 52 HD2 ARG 52 -9.660 -1.550 2.546 429 HD3 ARG 52 HD3 ARG 52 -8.761 -0.241 1.784 430 HE ARG 52 HE ARG 52 -10.106 -0.471 -0.113 431 HH11 ARG 52 HH11 ARG 52 -10.637 -3.217 2.017 432 HH12 ARG 52 HH12 ARG 52 -11.999 -3.801 1.122 433 HH21 ARG 52 HH21 ARG 52 -11.888 -1.272 -1.251 434 HH22 ARG 52 HH22 ARG 52 -12.701 -2.705 -0.717 435 H ASP 53 H ASP 53 -6.380 -4.715 1.181 436 HA ASP 53 HA ASP 53 -7.089 -6.874 0.953 437 HB2 ASP 53 HB2 ASP 53 -9.229 -5.541 0.519 438 HB3 ASP 53 HB3 ASP 53 -8.950 -5.841 -1.193 439 H GLY 54 H GLY 54 -4.799 -6.210 -0.482 440 HA2 GLY 54 HA2 GLY 54 -3.359 -7.201 -1.989 441 HA3 GLY 54 HA3 GLY 54 -4.582 -8.444 -2.216 442 H ALA 55 H ALA 55 -5.598 -5.172 -2.853 443 HA ALA 55 HA ALA 55 -5.030 -5.376 -5.724 444 HB1 ALA 55 HB1 ALA 55 -7.277 -5.316 -6.438 445 HB2 ALA 55 HB2 ALA 55 -7.869 -4.963 -4.815 446 HB3 ALA 55 HB3 ALA 55 -7.225 -6.562 -5.191 447 H GLU 56 H GLU 56 -5.208 -3.450 -6.884 448 HA GLU 56 HA GLU 56 -4.964 -1.012 -5.312 449 HB2 GLU 56 HB2 GLU 56 -4.379 0.053 -7.448 450 HB3 GLU 56 HB3 GLU 56 -3.430 -1.411 -7.205 451 HG2 GLU 56 HG2 GLU 56 -5.037 -2.667 -8.653 452 HG3 GLU 56 HG3 GLU 56 -5.920 -1.175 -8.935 453 H VAL 57 H VAL 57 -6.240 0.883 -5.626 454 HA VAL 57 HA VAL 57 -9.041 0.246 -6.154 455 HB VAL 57 HB VAL 57 -8.360 1.487 -4.084 456 HG11 VAL 57 HG11 VAL 57 -7.866 3.786 -6.003 457 HG12 VAL 57 HG12 VAL 57 -6.606 2.907 -5.137 458 HG13 VAL 57 HG13 VAL 57 -7.790 3.858 -4.242 459 HG21 VAL 57 HG21 VAL 57 -10.167 3.137 -5.868 460 HG22 VAL 57 HG22 VAL 57 -10.265 2.948 -4.119 461 HG23 VAL 57 HG23 VAL 57 -10.659 1.593 -5.175 462 H THR 58 H THR 58 -10.425 1.604 -7.435 463 HA THR 58 HA THR 58 -11.032 2.452 -9.471 464 HB THR 58 HB THR 58 -9.704 4.586 -10.087 465 HG1 THR 58 HG1 THR 58 -7.819 3.985 -8.951 466 HG21 THR 58 HG21 THR 58 -10.886 5.848 -8.472 467 HG22 THR 58 HG22 THR 58 -10.786 4.563 -7.269 468 HG23 THR 58 HG23 THR 58 -11.842 4.380 -8.669 469 H GLY 59 H GLY 59 -10.385 0.455 -10.500 470 HA2 GLY 59 HA2 GLY 59 -8.206 0.885 -12.464 471 HA3 GLY 59 HA3 GLY 59 -8.462 -0.682 -11.705 472 H LEU 60 H LEU 60 -11.481 -0.025 -11.841 473 HA LEU 60 HA LEU 60 -12.130 -1.562 -14.083 474 HB2 LEU 60 HB2 LEU 60 -13.528 -1.014 -11.952 475 HB3 LEU 60 HB3 LEU 60 -14.048 0.412 -12.832 476 HG LEU 60 HG LEU 60 -15.682 -1.418 -13.066 477 HD11 LEU 60 HD11 LEU 60 -16.133 -1.153 -15.318 478 HD12 LEU 60 HD12 LEU 60 -14.439 -1.260 -15.795 479 HD13 LEU 60 HD13 LEU 60 -15.047 0.203 -15.025 480 HD21 LEU 60 HD21 LEU 60 -13.603 -3.008 -14.598 481 HD22 LEU 60 HD22 LEU 60 -15.184 -3.548 -14.036 482 HD23 LEU 60 HD23 LEU 60 -13.889 -3.255 -12.875 483 HA PRO 61 HA PRO 61 -13.372 2.494 -16.442 484 HB2 PRO 61 HB2 PRO 61 -12.349 4.891 -15.679 485 HB3 PRO 61 HB3 PRO 61 -13.856 4.230 -15.012 486 HG2 PRO 61 HG2 PRO 61 -11.118 4.232 -13.841 487 HG3 PRO 61 HG3 PRO 61 -12.680 4.550 -13.063 488 HD2 PRO 61 HD2 PRO 61 -11.396 2.170 -12.851 489 HD3 PRO 61 HD3 PRO 61 -13.169 2.307 -12.796 490 H MET 62 H MET 62 -11.750 1.071 -17.577 491 HA MET 62 HA MET 62 -9.964 0.770 -18.987 492 HB2 MET 62 HB2 MET 62 -10.001 3.803 -18.988 493 HB3 MET 62 HB3 MET 62 -9.137 2.798 -20.150 494 HG2 MET 62 HG2 MET 62 -12.136 2.692 -19.689 495 HG3 MET 62 HG3 MET 62 -11.358 3.571 -21.004 496 HE1 MET 62 HE1 MET 62 -9.965 1.072 -23.364 497 HE2 MET 62 HE2 MET 62 -8.993 1.735 -22.053 498 HE3 MET 62 HE3 MET 62 -10.200 2.747 -22.840 499 H GLU 63 H GLU 63 -9.447 0.996 -16.050 500 HA GLU 63 HA GLU 63 -7.716 1.238 -14.551 501 HB2 GLU 63 HB2 GLU 63 -6.966 -0.445 -16.720 502 HB3 GLU 63 HB3 GLU 63 -5.543 0.523 -16.378 503 HG2 GLU 63 HG2 GLU 63 -5.218 -1.226 -14.899 504 HG3 GLU 63 HG3 GLU 63 -6.117 -0.134 -13.856 505 H GLY 64 H GLY 64 -8.374 3.685 -15.545 506 HA2 GLY 64 HA2 GLY 64 -6.316 5.214 -16.709 507 HA3 GLY 64 HA3 GLY 64 -7.619 5.861 -15.716 508 H TYR 65 H TYR 65 -7.114 4.589 -13.297 509 HA TYR 65 HA TYR 65 -4.683 5.984 -12.433 510 HB2 TYR 65 HB2 TYR 65 -6.997 4.824 -10.875 511 HB3 TYR 65 HB3 TYR 65 -5.589 5.590 -10.138 512 HD1 TYR 65 HD1 TYR 65 -8.646 6.140 -12.116 513 HD2 TYR 65 HD2 TYR 65 -5.175 7.994 -10.390 514 HE1 TYR 65 HE1 TYR 65 -9.668 8.375 -12.460 515 HE2 TYR 65 HE2 TYR 65 -6.195 10.227 -10.736 516 HH TYR 65 HH TYR 65 -8.722 11.080 -10.949 517 H GLY 66 H GLY 66 -6.219 2.786 -12.230 518 HA2 GLY 66 HA2 GLY 66 -4.233 1.481 -10.722 519 HA3 GLY 66 HA3 GLY 66 -5.380 0.690 -11.796 520 H GLY 67 H GLY 67 -4.622 1.852 -14.230 521 HA2 GLY 67 HA2 GLY 67 -2.512 0.183 -15.060 522 HA3 GLY 67 HA3 GLY 67 -3.187 1.514 -15.993 523 H ARG 68 H ARG 68 -2.615 3.613 -14.210 524 HA ARG 68 HA ARG 68 -0.007 4.307 -14.985 525 HB2 ARG 68 HB2 ARG 68 -1.684 5.981 -14.565 526 HB3 ARG 68 HB3 ARG 68 -1.833 5.509 -12.878 527 HG2 ARG 68 HG2 ARG 68 0.926 6.285 -13.796 528 HG3 ARG 68 HG3 ARG 68 -0.265 7.579 -13.770 529 HD2 ARG 68 HD2 ARG 68 0.384 5.773 -11.423 530 HD3 ARG 68 HD3 ARG 68 0.954 7.427 -11.628 531 HE ARG 68 HE ARG 68 -1.724 6.597 -10.844 532 HH11 ARG 68 HH11 ARG 68 0.240 9.218 -12.121 533 HH12 ARG 68 HH12 ARG 68 -0.890 10.450 -11.665 534 HH21 ARG 68 HH21 ARG 68 -3.181 8.239 -10.282 535 HH22 ARG 68 HH22 ARG 68 -2.815 9.896 -10.630 536 H ALA 69 H ALA 69 -1.251 3.121 -11.848 537 HA ALA 69 HA ALA 69 1.550 2.690 -11.000 538 HB1 ALA 69 HB1 ALA 69 -0.623 2.696 -8.972 539 HB2 ALA 69 HB2 ALA 69 -0.194 4.246 -9.697 540 HB3 ALA 69 HB3 ALA 69 1.034 3.293 -8.868 541 H GLU 70 H GLU 70 2.155 0.654 -11.095 542 HA GLU 70 HA GLU 70 0.198 -1.490 -10.498 543 HB2 GLU 70 HB2 GLU 70 2.521 -1.471 -12.441 544 HB3 GLU 70 HB3 GLU 70 1.717 -2.951 -11.922 545 HG2 GLU 70 HG2 GLU 70 0.331 -0.600 -13.259 546 HG3 GLU 70 HG3 GLU 70 0.808 -2.085 -14.079 547 H TRP 71 H TRP 71 0.724 -2.911 -8.915 548 HA TRP 71 HA TRP 71 2.944 -2.271 -7.221 549 HB2 TRP 71 HB2 TRP 71 2.160 -4.156 -5.817 550 HB3 TRP 71 HB3 TRP 71 0.843 -3.062 -6.235 551 HD1 TRP 71 HD1 TRP 71 2.136 -6.585 -6.820 552 HE1 TRP 71 HE1 TRP 71 0.328 -7.970 -8.028 553 HE3 TRP 71 HE3 TRP 71 -1.217 -2.893 -7.919 554 HZ2 TRP 71 HZ2 TRP 71 -2.201 -7.567 -9.293 555 HZ3 TRP 71 HZ3 TRP 71 -3.315 -3.423 -9.128 556 HH2 TRP 71 HH2 TRP 71 -3.810 -5.754 -9.816 557 H MET 72 H MET 72 4.908 -3.100 -7.117 558 HA MET 72 HA MET 72 5.489 -5.631 -8.504 559 HB2 MET 72 HB2 MET 72 6.127 -3.636 -9.921 560 HB3 MET 72 HB3 MET 72 7.291 -3.206 -8.669 561 HG2 MET 72 HG2 MET 72 8.456 -4.500 -10.349 562 HG3 MET 72 HG3 MET 72 8.290 -5.507 -8.911 563 HE1 MET 72 HE1 MET 72 7.986 -8.096 -11.752 564 HE2 MET 72 HE2 MET 72 8.699 -7.728 -10.184 565 HE3 MET 72 HE3 MET 72 9.056 -6.697 -11.567 566 H GLU 73 H GLU 73 5.781 -6.824 -6.683 567 HA GLU 73 HA GLU 73 7.188 -5.899 -4.370 568 HB2 GLU 73 HB2 GLU 73 5.430 -7.689 -4.350 569 HB3 GLU 73 HB3 GLU 73 6.582 -8.761 -5.146 570 HG2 GLU 73 HG2 GLU 73 8.146 -8.513 -3.266 571 HG3 GLU 73 HG3 GLU 73 7.033 -7.399 -2.468 572 H ASP 74 H ASP 74 9.269 -6.240 -3.723 573 HA ASP 74 HA ASP 74 11.211 -6.762 -5.795 574 HB2 ASP 74 HB2 ASP 74 12.865 -6.108 -4.154 575 HB3 ASP 74 HB3 ASP 74 11.518 -4.983 -4.078 576 H SER 75 H SER 75 13.241 -8.094 -4.938 577 HA SER 75 HA SER 75 12.283 -10.819 -4.644 578 HB2 SER 75 HB2 SER 75 15.059 -9.703 -5.057 579 HB3 SER 75 HB3 SER 75 14.677 -11.419 -4.976 580 HG SER 75 HG SER 75 14.213 -9.559 -6.966 581 H THR 76 H THR 76 13.280 -8.407 -2.467 582 HA THR 76 HA THR 76 14.726 -9.909 -0.552 583 HB THR 76 HB THR 76 12.953 -7.471 -0.130 584 HG1 THR 76 HG1 THR 76 15.724 -7.765 -0.673 585 HG21 THR 76 HG21 THR 76 14.059 -7.143 1.931 586 HG22 THR 76 HG22 THR 76 15.347 -8.276 1.524 587 HG23 THR 76 HG23 THR 76 13.738 -8.876 1.917 588 H GLU 77 H GLU 77 11.269 -9.348 -1.055 589 HA GLU 77 HA GLU 77 9.384 -10.270 -0.127 590 HB2 GLU 77 HB2 GLU 77 11.240 -12.655 0.156 591 HB3 GLU 77 HB3 GLU 77 9.480 -12.717 0.234 592 HG2 GLU 77 HG2 GLU 77 11.088 -11.762 -2.161 593 HG3 GLU 77 HG3 GLU 77 10.333 -13.347 -2.022 594 H GLU 78 H GLU 78 11.005 -8.735 1.676 595 HA GLU 78 HA GLU 78 10.571 -10.130 4.253 596 HB2 GLU 78 HB2 GLU 78 12.541 -8.013 3.401 597 HB3 GLU 78 HB3 GLU 78 12.109 -8.199 5.098 598 HG2 GLU 78 HG2 GLU 78 13.110 -10.477 3.365 599 HG3 GLU 78 HG3 GLU 78 14.150 -9.517 4.417 600 H GLY 79 H GLY 79 8.492 -8.778 2.681 601 HA2 GLY 79 HA2 GLY 79 6.560 -7.656 3.375 602 HA3 GLY 79 HA3 GLY 79 7.427 -7.082 4.792 603 H SER 80 H SER 80 9.216 -6.553 1.934 604 HA SER 80 HA SER 80 8.815 -3.685 2.092 605 HB2 SER 80 HB2 SER 80 11.068 -4.531 1.708 606 HB3 SER 80 HB3 SER 80 10.529 -5.391 0.270 607 HG SER 80 HG SER 80 10.315 -3.507 -0.782 608 H VAL 81 H VAL 81 7.691 -2.437 0.708 609 HA VAL 81 HA VAL 81 6.241 -3.789 -1.495 610 HB VAL 81 HB VAL 81 5.289 -1.467 0.221 611 HG11 VAL 81 HG11 VAL 81 3.822 -3.082 -1.889 612 HG12 VAL 81 HG12 VAL 81 4.408 -1.433 -2.096 613 HG13 VAL 81 HG13 VAL 81 3.137 -1.775 -0.922 614 HG21 VAL 81 HG21 VAL 81 5.194 -3.415 1.590 615 HG22 VAL 81 HG22 VAL 81 4.658 -4.432 0.253 616 HG23 VAL 81 HG23 VAL 81 3.560 -3.238 0.950 617 H ALA 82 H ALA 82 6.575 -3.030 -3.468 618 HA ALA 82 HA ALA 82 7.614 -0.277 -3.817 619 HB1 ALA 82 HB1 ALA 82 9.492 -1.398 -4.485 620 HB2 ALA 82 HB2 ALA 82 8.604 -1.493 -6.005 621 HB3 ALA 82 HB3 ALA 82 8.608 -2.866 -4.897 622 H LEU 83 H LEU 83 6.539 0.949 -5.226 623 HA LEU 83 HA LEU 83 4.411 -0.279 -6.859 624 HB2 LEU 83 HB2 LEU 83 3.532 1.148 -5.036 625 HB3 LEU 83 HB3 LEU 83 4.502 2.495 -5.617 626 HG LEU 83 HG LEU 83 3.254 2.395 -7.804 627 HD11 LEU 83 HD11 LEU 83 1.630 0.303 -6.318 628 HD12 LEU 83 HD12 LEU 83 2.523 0.086 -7.823 629 HD13 LEU 83 HD13 LEU 83 1.082 1.102 -7.792 630 HD21 LEU 83 HD21 LEU 83 1.740 2.808 -5.211 631 HD22 LEU 83 HD22 LEU 83 1.024 3.188 -6.777 632 HD23 LEU 83 HD23 LEU 83 2.478 4.029 -6.246 633 H LYS 84 H LYS 84 4.672 -0.128 -8.964 634 HA LYS 84 HA LYS 84 6.736 1.621 -10.057 635 HB2 LYS 84 HB2 LYS 84 6.678 -0.784 -10.668 636 HB3 LYS 84 HB3 LYS 84 5.103 -0.543 -11.408 637 HG2 LYS 84 HG2 LYS 84 6.053 1.052 -13.010 638 HG3 LYS 84 HG3 LYS 84 7.628 0.938 -12.227 639 HD2 LYS 84 HD2 LYS 84 7.747 -0.497 -14.138 640 HD3 LYS 84 HD3 LYS 84 7.559 -1.565 -12.748 641 HE2 LYS 84 HE2 LYS 84 5.150 -1.762 -13.188 642 HE3 LYS 84 HE3 LYS 84 5.289 -0.638 -14.540 643 HZ1 LYS 84 HZ1 LYS 84 6.352 -3.382 -14.304 644 HZ2 LYS 84 HZ2 LYS 84 7.011 -2.281 -15.418 645 HZ3 LYS 84 HZ3 LYS 84 5.374 -2.726 -15.523 646 H ILE 85 H ILE 85 6.256 3.521 -10.883 647 HA ILE 85 HA ILE 85 3.529 4.052 -11.903 648 HB ILE 85 HB ILE 85 4.042 5.312 -9.838 649 HG12 ILE 85 HG12 ILE 85 4.164 7.266 -12.153 650 HG13 ILE 85 HG13 ILE 85 2.721 6.309 -11.827 651 HG21 ILE 85 HG21 ILE 85 5.823 7.096 -9.942 652 HG22 ILE 85 HG22 ILE 85 6.394 6.363 -11.439 653 HG23 ILE 85 HG23 ILE 85 6.448 5.447 -9.933 654 HD11 ILE 85 HD11 ILE 85 2.569 7.243 -9.567 655 HD12 ILE 85 HD12 ILE 85 2.626 8.553 -10.747 656 HD13 ILE 85 HD13 ILE 85 4.067 8.142 -9.817 657 H ARG 86 H ARG 86 3.332 4.854 -13.960 658 HA ARG 86 HA ARG 86 5.804 4.967 -15.529 659 HB2 ARG 86 HB2 ARG 86 4.343 4.678 -17.491 660 HB3 ARG 86 HB3 ARG 86 4.079 3.418 -16.294 661 HG2 ARG 86 HG2 ARG 86 2.096 4.608 -15.446 662 HG3 ARG 86 HG3 ARG 86 2.360 5.899 -16.617 663 HD2 ARG 86 HD2 ARG 86 0.668 4.377 -17.481 664 HD3 ARG 86 HD3 ARG 86 2.128 4.233 -18.455 665 HE ARG 86 HE ARG 86 2.142 2.319 -16.334 666 HH11 ARG 86 HH11 ARG 86 0.657 2.943 -19.457 667 HH12 ARG 86 HH12 ARG 86 0.378 1.266 -19.796 668 HH21 ARG 86 HH21 ARG 86 1.758 0.143 -16.817 669 HH22 ARG 86 HH22 ARG 86 0.999 -0.305 -18.309 670 H GLN 87 H GLN 87 6.276 6.580 -17.014 671 HA GLN 87 HA GLN 87 6.575 8.726 -17.705 672 HB2 GLN 87 HB2 GLN 87 3.565 8.583 -17.504 673 HB3 GLN 87 HB3 GLN 87 4.405 9.980 -18.177 674 HG2 GLN 87 HG2 GLN 87 3.909 8.581 -20.044 675 HG3 GLN 87 HG3 GLN 87 5.622 8.329 -19.713 676 HE21 GLN 87 HE21 GLN 87 6.200 6.148 -19.699 677 HE22 GLN 87 HE22 GLN 87 5.165 4.874 -19.274 678 H VAL 88 H VAL 88 7.452 8.701 -15.291 679 HA VAL 88 HA VAL 88 6.236 10.264 -13.304 680 HB VAL 88 HB VAL 88 8.249 8.813 -12.985 681 HG11 VAL 88 HG11 VAL 88 9.377 9.996 -15.131 682 HG12 VAL 88 HG12 VAL 88 10.340 9.283 -13.846 683 HG13 VAL 88 HG13 VAL 88 10.080 11.022 -13.884 684 HG21 VAL 88 HG21 VAL 88 7.506 10.744 -11.436 685 HG22 VAL 88 HG22 VAL 88 8.845 11.648 -12.134 686 HG23 VAL 88 HG23 VAL 88 9.158 10.156 -11.244 687 H GLN 89 H GLN 89 6.763 12.438 -12.607 688 HA GLN 89 HA GLN 89 7.866 14.262 -14.554 689 HB2 GLN 89 HB2 GLN 89 5.536 15.700 -14.080 690 HB3 GLN 89 HB3 GLN 89 5.923 14.849 -15.565 691 HG2 GLN 89 HG2 GLN 89 3.763 14.075 -15.041 692 HG3 GLN 89 HG3 GLN 89 4.765 12.787 -14.398 693 HE21 GLN 89 HE21 GLN 89 5.533 13.508 -11.956 694 HE22 GLN 89 HE22 GLN 89 4.230 13.975 -10.973 695 HA PRO 90 HA PRO 90 9.314 16.962 -11.406 696 HB2 PRO 90 HB2 PRO 90 7.365 19.092 -12.194 697 HB3 PRO 90 HB3 PRO 90 9.119 19.206 -11.922 698 HG2 PRO 90 HG2 PRO 90 8.225 19.172 -14.372 699 HG3 PRO 90 HG3 PRO 90 9.628 18.170 -13.947 700 HD2 PRO 90 HD2 PRO 90 6.785 17.325 -14.385 701 HD3 PRO 90 HD3 PRO 90 8.289 16.503 -14.868 702 H SER 91 H SER 91 5.742 17.090 -11.637 703 HA SER 91 HA SER 91 5.264 17.957 -8.989 704 HB2 SER 91 HB2 SER 91 2.975 17.157 -9.300 705 HB3 SER 91 HB3 SER 91 3.528 17.988 -10.747 706 HG SER 91 HG SER 91 2.875 15.350 -10.329 707 H ASP 92 H ASP 92 5.981 14.786 -10.335 708 HA ASP 92 HA ASP 92 5.308 13.206 -8.051 709 HB2 ASP 92 HB2 ASP 92 5.779 12.305 -10.384 710 HB3 ASP 92 HB3 ASP 92 7.488 12.616 -10.071 711 H ASP 93 H ASP 93 8.149 15.024 -9.073 712 HA ASP 93 HA ASP 93 10.128 14.128 -7.359 713 HB2 ASP 93 HB2 ASP 93 10.258 15.980 -9.119 714 HB3 ASP 93 HB3 ASP 93 9.650 17.055 -7.873 715 H GLY 94 H GLY 94 10.382 14.045 -5.218 716 HA2 GLY 94 HA2 GLY 94 10.163 15.753 -3.234 717 HA3 GLY 94 HA3 GLY 94 8.451 15.428 -3.500 718 H GLN 95 H GLN 95 8.264 14.572 -1.419 719 HA GLN 95 HA GLN 95 9.564 11.952 -0.946 720 HB2 GLN 95 HB2 GLN 95 8.337 13.858 1.076 721 HB3 GLN 95 HB3 GLN 95 9.176 12.354 1.439 722 HG2 GLN 95 HG2 GLN 95 10.417 14.800 0.125 723 HG3 GLN 95 HG3 GLN 95 10.656 14.304 1.797 724 HE21 GLN 95 HE21 GLN 95 12.146 14.215 -1.157 725 HE22 GLN 95 HE22 GLN 95 13.080 12.813 -0.967 726 H TYR 96 H TYR 96 8.258 10.199 -0.193 727 HA TYR 96 HA TYR 96 5.352 10.705 -0.198 728 HB2 TYR 96 HB2 TYR 96 4.797 8.987 -1.595 729 HB3 TYR 96 HB3 TYR 96 6.389 9.273 -2.278 730 HD1 TYR 96 HD1 TYR 96 4.407 7.203 0.116 731 HD2 TYR 96 HD2 TYR 96 7.996 7.459 -2.212 732 HE1 TYR 96 HE1 TYR 96 4.878 4.826 0.594 733 HE2 TYR 96 HE2 TYR 96 8.475 5.072 -1.733 734 HH TYR 96 HH TYR 96 6.845 2.980 -1.090 735 H TRP 97 H TRP 97 4.308 10.090 1.543 736 HA TRP 97 HA TRP 97 5.775 8.706 3.590 737 HB2 TRP 97 HB2 TRP 97 3.080 10.086 3.590 738 HB3 TRP 97 HB3 TRP 97 3.676 9.174 4.969 739 HD1 TRP 97 HD1 TRP 97 6.409 11.127 3.183 740 HE1 TRP 97 HE1 TRP 97 7.050 13.191 4.580 741 HE3 TRP 97 HE3 TRP 97 2.617 11.095 6.625 742 HZ2 TRP 97 HZ2 TRP 97 6.098 14.637 6.842 743 HZ3 TRP 97 HZ3 TRP 97 2.519 12.836 8.390 744 HH2 TRP 97 HH2 TRP 97 4.255 14.606 8.500 745 H CYS 98 H CYS 98 5.707 6.620 3.819 746 HA CYS 98 HA CYS 98 3.724 5.028 2.417 747 HB2 CYS 98 HB2 CYS 98 6.091 4.342 2.385 748 HB3 CYS 98 HB3 CYS 98 6.090 4.225 4.135 749 H ARG 99 H ARG 99 1.829 4.552 3.333 750 HA ARG 99 HA ARG 99 1.715 4.467 6.297 751 HB2 ARG 99 HB2 ARG 99 -0.273 5.436 4.253 752 HB3 ARG 99 HB3 ARG 99 -0.830 4.867 5.826 753 HG2 ARG 99 HG2 ARG 99 1.190 6.506 6.629 754 HG3 ARG 99 HG3 ARG 99 0.755 7.313 5.131 755 HD2 ARG 99 HD2 ARG 99 -1.400 6.557 7.094 756 HD3 ARG 99 HD3 ARG 99 -0.420 7.985 7.386 757 HE ARG 99 HE ARG 99 -1.473 7.972 4.714 758 HH11 ARG 99 HH11 ARG 99 -2.363 8.604 8.058 759 HH12 ARG 99 HH12 ARG 99 -3.619 9.723 7.645 760 HH21 ARG 99 HH21 ARG 99 -3.125 9.472 4.227 761 HH22 ARG 99 HH22 ARG 99 -4.046 10.202 5.495 762 H PHE 100 H PHE 100 1.109 2.745 7.293 763 HA PHE 100 HA PHE 100 -0.074 0.499 5.757 764 HB2 PHE 100 HB2 PHE 100 2.212 0.015 6.629 765 HB3 PHE 100 HB3 PHE 100 1.654 0.371 8.261 766 HD1 PHE 100 HD1 PHE 100 1.167 -1.906 5.350 767 HD2 PHE 100 HD2 PHE 100 0.466 -1.267 9.540 768 HE1 PHE 100 HE1 PHE 100 0.370 -4.245 5.574 769 HE2 PHE 100 HE2 PHE 100 -0.330 -3.604 9.763 770 HZ PHE 100 HZ PHE 100 -0.377 -5.093 7.781 771 H GLN 101 H GLN 101 -2.167 0.272 6.208 772 HA GLN 101 HA GLN 101 -3.143 1.175 8.843 773 HB2 GLN 101 HB2 GLN 101 -3.966 2.450 6.870 774 HB3 GLN 101 HB3 GLN 101 -4.686 0.965 6.257 775 HG2 GLN 101 HG2 GLN 101 -6.068 0.786 8.301 776 HG3 GLN 101 HG3 GLN 101 -5.364 2.286 8.901 777 HE21 GLN 101 HE21 GLN 101 -6.775 4.004 8.568 778 HE22 GLN 101 HE22 GLN 101 -7.779 4.191 7.213 779 H GLU 102 H GLU 102 -3.965 -0.193 10.174 780 HA GLU 102 HA GLU 102 -5.315 -2.620 9.258 781 HB2 GLU 102 HB2 GLU 102 -2.934 -3.219 9.853 782 HB3 GLU 102 HB3 GLU 102 -3.261 -2.650 11.489 783 HG2 GLU 102 HG2 GLU 102 -3.581 -5.063 11.425 784 HG3 GLU 102 HG3 GLU 102 -5.148 -4.287 11.639 785 H GLY 103 H GLY 103 -7.261 -2.675 10.217 786 HA2 GLY 103 HA2 GLY 103 -8.991 -2.222 11.674 787 HA3 GLY 103 HA3 GLY 103 -7.779 -2.180 12.953 788 H ASP 104 H ASP 104 -8.062 -0.337 14.067 789 HA ASP 104 HA ASP 104 -8.637 2.164 12.616 790 HB2 ASP 104 HB2 ASP 104 -8.882 1.528 15.561 791 HB3 ASP 104 HB3 ASP 104 -9.288 3.072 14.812 792 H TYR 105 H TYR 105 -5.903 0.666 13.312 793 HA TYR 105 HA TYR 105 -4.490 3.111 14.204 794 HB2 TYR 105 HB2 TYR 105 -4.517 1.404 15.992 795 HB3 TYR 105 HB3 TYR 105 -3.803 0.232 14.890 796 HD1 TYR 105 HD1 TYR 105 -3.212 3.516 16.567 797 HD2 TYR 105 HD2 TYR 105 -1.442 0.172 14.532 798 HE1 TYR 105 HE1 TYR 105 -0.953 4.345 17.167 799 HE2 TYR 105 HE2 TYR 105 0.817 1.002 15.133 800 HH TYR 105 HH TYR 105 1.706 3.618 15.750 801 H TRP 106 H TRP 106 -2.730 3.745 13.033 802 HA TRP 106 HA TRP 106 -1.516 1.908 11.108 803 HB2 TRP 106 HB2 TRP 106 -1.721 3.502 9.227 804 HB3 TRP 106 HB3 TRP 106 -3.310 2.993 9.810 805 HD1 TRP 106 HD1 TRP 106 -1.036 5.995 9.487 806 HE1 TRP 106 HE1 TRP 106 -2.323 8.123 10.182 807 HE3 TRP 106 HE3 TRP 106 -5.262 3.881 11.434 808 HZ2 TRP 106 HZ2 TRP 106 -4.808 8.830 11.402 809 HZ3 TRP 106 HZ3 TRP 106 -7.072 5.308 12.356 810 HH2 TRP 106 HH2 TRP 106 -6.848 7.778 12.341 811 H ARG 107 H ARG 107 0.501 2.692 10.220 812 HA ARG 107 HA ARG 107 1.785 4.819 11.815 813 HB2 ARG 107 HB2 ARG 107 2.543 2.661 12.699 814 HB3 ARG 107 HB3 ARG 107 3.010 2.122 11.093 815 HG2 ARG 107 HG2 ARG 107 5.015 2.887 12.269 816 HG3 ARG 107 HG3 ARG 107 4.652 4.048 10.996 817 HD2 ARG 107 HD2 ARG 107 3.574 5.532 12.642 818 HD3 ARG 107 HD3 ARG 107 3.878 4.358 13.917 819 HE ARG 107 HE ARG 107 6.356 4.907 12.785 820 HH11 ARG 107 HH11 ARG 107 3.859 6.766 14.415 821 HH12 ARG 107 HH12 ARG 107 4.970 7.930 15.054 822 HH21 ARG 107 HH21 ARG 107 7.774 6.445 13.637 823 HH22 ARG 107 HH22 ARG 107 7.179 7.746 14.613 824 H GLU 108 H GLU 108 3.222 6.146 10.737 825 HA GLU 108 HA GLU 108 3.397 5.761 7.809 826 HB2 GLU 108 HB2 GLU 108 2.925 8.138 7.509 827 HB3 GLU 108 HB3 GLU 108 1.627 7.344 8.404 828 HG2 GLU 108 HG2 GLU 108 2.604 8.156 10.540 829 HG3 GLU 108 HG3 GLU 108 3.855 9.000 9.639 830 H THR 109 H THR 109 5.088 6.777 6.712 831 HA THR 109 HA THR 109 7.313 7.910 8.239 832 HB THR 109 HB THR 109 7.754 5.442 8.118 833 HG1 THR 109 HG1 THR 109 9.674 6.251 8.106 834 HG21 THR 109 HG21 THR 109 7.752 5.935 5.128 835 HG22 THR 109 HG22 THR 109 6.585 4.963 6.023 836 HG23 THR 109 HG23 THR 109 8.267 4.440 5.914 837 H SER 110 H SER 110 9.143 7.878 5.975 838 HA SER 110 HA SER 110 7.774 9.169 3.757 839 HB2 SER 110 HB2 SER 110 9.103 11.189 3.830 840 HB3 SER 110 HB3 SER 110 8.255 11.013 5.363 841 HG SER 110 HG SER 110 10.534 11.527 5.548 842 H VAL 111 H VAL 111 9.044 9.227 1.846 843 HA VAL 111 HA VAL 111 11.570 7.684 1.946 844 HB VAL 111 HB VAL 111 9.326 7.291 -0.048 845 HG11 VAL 111 HG11 VAL 111 12.046 5.977 0.214 846 HG12 VAL 111 HG12 VAL 111 11.438 6.902 -1.158 847 HG13 VAL 111 HG13 VAL 111 10.745 5.326 -0.783 848 HG21 VAL 111 HG21 VAL 111 10.394 5.369 2.043 849 HG22 VAL 111 HG22 VAL 111 8.995 5.123 0.997 850 HG23 VAL 111 HG23 VAL 111 8.944 6.348 2.265 851 H LEU 112 H LEU 112 13.146 8.185 0.438 852 HA LEU 112 HA LEU 112 13.002 10.895 -0.649 853 HB2 LEU 112 HB2 LEU 112 15.212 8.827 -0.600 854 HB3 LEU 112 HB3 LEU 112 15.397 10.464 -1.220 855 HG LEU 112 HG LEU 112 14.450 9.914 1.607 856 HD11 LEU 112 HD11 LEU 112 16.759 8.937 1.066 857 HD12 LEU 112 HD12 LEU 112 16.712 10.113 2.376 858 HD13 LEU 112 HD13 LEU 112 17.291 10.595 0.781 859 HD21 LEU 112 HD21 LEU 112 14.081 12.195 0.556 860 HD22 LEU 112 HD22 LEU 112 15.824 12.325 0.369 861 HD23 LEU 112 HD23 LEU 112 15.116 12.225 1.978 862 H LEU 113 H LEU 113 12.192 11.283 -2.655 863 HA LEU 113 HA LEU 113 13.011 9.469 -4.838 864 HB2 LEU 113 HB2 LEU 113 10.217 10.612 -4.550 865 HB3 LEU 113 HB3 LEU 113 10.819 9.643 -5.907 866 HG LEU 113 HG LEU 113 10.801 8.615 -3.060 867 HD11 LEU 113 HD11 LEU 113 8.679 8.621 -5.201 868 HD12 LEU 113 HD12 LEU 113 8.517 8.882 -3.471 869 HD13 LEU 113 HD13 LEU 113 8.783 7.256 -4.088 870 HD21 LEU 113 HD21 LEU 113 10.837 6.410 -4.409 871 HD22 LEU 113 HD22 LEU 113 12.321 7.363 -4.450 872 HD23 LEU 113 HD23 LEU 113 11.212 7.402 -5.820 873 H GLN 114 H GLN 114 13.929 10.520 -6.444 874 HA GLN 114 HA GLN 114 13.315 13.378 -6.877 875 HB2 GLN 114 HB2 GLN 114 16.066 12.103 -6.983 876 HB3 GLN 114 HB3 GLN 114 15.697 13.768 -7.425 877 HG2 GLN 114 HG2 GLN 114 15.245 12.554 -4.677 878 HG3 GLN 114 HG3 GLN 114 16.590 13.604 -5.109 879 HE21 GLN 114 HE21 GLN 114 13.596 13.684 -3.640 880 HE22 GLN 114 HE22 GLN 114 13.190 15.306 -3.929 881 H VAL 115 H VAL 115 13.236 14.046 -9.044 882 HA VAL 115 HA VAL 115 13.553 11.869 -11.035 883 HB VAL 115 HB VAL 115 11.713 12.877 -12.324 884 HG11 VAL 115 HG11 VAL 115 11.226 12.044 -9.462 885 HG12 VAL 115 HG12 VAL 115 10.978 11.123 -10.942 886 HG13 VAL 115 HG13 VAL 115 9.875 12.434 -10.524 887 HG21 VAL 115 HG21 VAL 115 11.727 15.182 -11.758 888 HG22 VAL 115 HG22 VAL 115 11.740 14.851 -10.029 889 HG23 VAL 115 HG23 VAL 115 10.268 14.587 -10.965 890 H ALA 116 H ALA 116 14.828 12.232 -12.723 891 HA ALA 116 HA ALA 116 16.438 14.589 -12.861 892 HB1 ALA 116 HB1 ALA 116 16.739 13.262 -15.309 893 HB2 ALA 116 HB2 ALA 116 16.345 11.987 -14.161 894 HB3 ALA 116 HB3 ALA 116 17.723 13.043 -13.865 895 H ALA 117 H ALA 117 16.408 16.292 -14.292 896 HA ALA 117 HA ALA 117 13.849 16.776 -15.642 897 HB1 ALA 117 HB1 ALA 117 14.581 19.110 -15.759 898 HB2 ALA 117 HB2 ALA 117 16.152 18.664 -15.096 899 HB3 ALA 117 HB3 ALA 117 14.700 18.505 -14.108 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -1.269 -4.855 19.074 2 H2 MET 1 HT2 MET 1 -0.187 -6.115 18.711 3 H3 MET 1 HT3 MET 1 -0.260 -4.739 17.718 4 HA MET 1 HA MET 1 0.334 -4.296 20.531 5 HB2 MET 1 HB2 MET 1 2.238 -5.609 18.562 6 HB3 MET 1 HB3 MET 1 2.802 -4.742 19.988 7 HG2 MET 1 HG2 MET 1 0.817 -7.035 20.097 8 HG3 MET 1 HG3 MET 1 2.554 -7.235 20.324 9 HE1 MET 1 HE1 MET 1 3.721 -6.718 22.943 10 HE2 MET 1 HE2 MET 1 3.420 -5.011 23.237 11 HE3 MET 1 HE3 MET 1 3.832 -5.554 21.615 12 H ASP 2 H ASP 2 2.152 -3.829 17.481 13 HA ASP 2 HA ASP 2 1.252 -1.173 17.005 14 HB2 ASP 2 HB2 ASP 2 2.687 -0.881 19.083 15 HB3 ASP 2 HB3 ASP 2 4.066 -1.342 18.086 16 H PHE 3 H PHE 3 1.943 -0.409 15.003 17 HA PHE 3 HA PHE 3 3.993 -2.002 13.602 18 HB2 PHE 3 HB2 PHE 3 1.295 -1.233 12.464 19 HB3 PHE 3 HB3 PHE 3 2.614 -1.963 11.552 20 HD1 PHE 3 HD1 PHE 3 0.003 -2.543 14.069 21 HD2 PHE 3 HD2 PHE 3 3.326 -4.287 11.983 22 HE1 PHE 3 HE1 PHE 3 -0.722 -4.792 14.803 23 HE2 PHE 3 HE2 PHE 3 2.599 -6.540 12.718 24 HZ PHE 3 HZ PHE 3 0.574 -6.793 14.127 25 H ARG 4 H ARG 4 5.137 -0.905 11.987 26 HA ARG 4 HA ARG 4 4.581 1.915 11.600 27 HB2 ARG 4 HB2 ARG 4 6.838 2.638 12.247 28 HB3 ARG 4 HB3 ARG 4 5.962 1.948 13.604 29 HG2 ARG 4 HG2 ARG 4 7.991 0.841 13.856 30 HG3 ARG 4 HG3 ARG 4 7.154 -0.318 12.829 31 HD2 ARG 4 HD2 ARG 4 8.343 0.358 10.899 32 HD3 ARG 4 HD3 ARG 4 8.809 1.898 11.608 33 HE ARG 4 HE ARG 4 10.553 0.819 12.756 34 HH11 ARG 4 HH11 ARG 4 8.558 -1.554 11.091 35 HH12 ARG 4 HH12 ARG 4 9.701 -2.836 11.305 36 HH21 ARG 4 HH21 ARG 4 12.005 -0.887 13.011 37 HH22 ARG 4 HH22 ARG 4 11.638 -2.460 12.384 38 H VAL 5 H VAL 5 5.925 2.900 9.974 39 HA VAL 5 HA VAL 5 6.790 0.946 7.937 40 HB VAL 5 HB VAL 5 5.825 3.791 7.503 41 HG11 VAL 5 HG11 VAL 5 7.293 3.151 5.723 42 HG12 VAL 5 HG12 VAL 5 5.657 2.900 5.123 43 HG13 VAL 5 HG13 VAL 5 6.611 1.525 5.661 44 HG21 VAL 5 HG21 VAL 5 3.820 2.618 6.474 45 HG22 VAL 5 HG22 VAL 5 3.927 2.444 8.224 46 HG23 VAL 5 HG23 VAL 5 4.416 1.113 7.174 47 H VAL 6 H VAL 6 8.706 1.342 6.780 48 HA VAL 6 HA VAL 6 10.601 3.001 8.313 49 HB VAL 6 HB VAL 6 11.165 0.831 6.279 50 HG11 VAL 6 HG11 VAL 6 13.002 2.423 6.420 51 HG12 VAL 6 HG12 VAL 6 13.476 0.929 7.228 52 HG13 VAL 6 HG13 VAL 6 12.988 2.329 8.182 53 HG21 VAL 6 HG21 VAL 6 11.700 -0.613 8.167 54 HG22 VAL 6 HG22 VAL 6 10.080 0.033 8.424 55 HG23 VAL 6 HG23 VAL 6 11.450 0.714 9.302 56 H GLY 7 H GLY 7 11.042 4.886 7.547 57 HA2 GLY 7 HA2 GLY 7 10.615 5.523 4.723 58 HA3 GLY 7 HA3 GLY 7 10.783 6.679 6.041 59 HA PRO 8 HA PRO 8 15.246 7.080 5.711 60 HB2 PRO 8 HB2 PRO 8 15.869 4.894 7.660 61 HB3 PRO 8 HB3 PRO 8 16.504 6.551 7.581 62 HG2 PRO 8 HG2 PRO 8 14.710 5.920 9.396 63 HG3 PRO 8 HG3 PRO 8 14.604 7.468 8.534 64 HD2 PRO 8 HD2 PRO 8 12.961 4.994 8.156 65 HD3 PRO 8 HD3 PRO 8 12.473 6.703 8.037 66 H ASN 9 H ASN 9 15.724 6.368 3.719 67 HA ASN 9 HA ASN 9 16.974 3.832 3.362 68 HB2 ASN 9 HB2 ASN 9 15.430 3.104 1.487 69 HB3 ASN 9 HB3 ASN 9 14.772 2.952 3.112 70 HD21 ASN 9 HD21 ASN 9 12.516 3.173 2.455 71 HD22 ASN 9 HD22 ASN 9 11.906 4.623 1.849 72 H LEU 10 H LEU 10 17.271 3.572 0.785 73 HA LEU 10 HA LEU 10 18.920 5.820 0.123 74 HB2 LEU 10 HB2 LEU 10 18.325 3.276 -1.407 75 HB3 LEU 10 HB3 LEU 10 19.524 4.474 -1.888 76 HG LEU 10 HG LEU 10 19.555 3.097 0.817 77 HD11 LEU 10 HD11 LEU 10 19.843 1.412 -0.932 78 HD12 LEU 10 HD12 LEU 10 21.394 1.718 -0.151 79 HD13 LEU 10 HD13 LEU 10 21.051 2.415 -1.733 80 HD21 LEU 10 HD21 LEU 10 20.816 5.176 0.808 81 HD22 LEU 10 HD22 LEU 10 21.558 4.777 -0.741 82 HD23 LEU 10 HD23 LEU 10 21.982 3.857 0.703 83 HA PRO 11 HA PRO 11 15.996 7.939 -2.536 84 HB2 PRO 11 HB2 PRO 11 17.610 9.446 -4.074 85 HB3 PRO 11 HB3 PRO 11 17.386 9.775 -2.341 86 HG2 PRO 11 HG2 PRO 11 19.615 8.340 -3.709 87 HG3 PRO 11 HG3 PRO 11 19.685 9.570 -2.431 88 HD2 PRO 11 HD2 PRO 11 19.924 6.913 -1.893 89 HD3 PRO 11 HD3 PRO 11 19.186 8.056 -0.745 90 H ILE 12 H ILE 12 15.075 7.767 -4.615 91 HA ILE 12 HA ILE 12 16.466 5.898 -6.478 92 HB ILE 12 HB ILE 12 13.454 6.265 -6.140 93 HG12 ILE 12 HG12 ILE 12 15.193 3.858 -5.489 94 HG13 ILE 12 HG13 ILE 12 14.762 5.060 -4.281 95 HG21 ILE 12 HG21 ILE 12 13.960 5.680 -8.441 96 HG22 ILE 12 HG22 ILE 12 13.404 4.214 -7.634 97 HG23 ILE 12 HG23 ILE 12 15.126 4.459 -7.927 98 HD11 ILE 12 HD11 ILE 12 12.799 3.389 -5.885 99 HD12 ILE 12 HD12 ILE 12 12.361 4.613 -4.692 100 HD13 ILE 12 HD13 ILE 12 13.208 3.152 -4.185 101 H LEU 13 H LEU 13 17.070 6.662 -8.376 102 HA LEU 13 HA LEU 13 16.032 9.277 -9.248 103 HB2 LEU 13 HB2 LEU 13 18.705 7.971 -9.344 104 HB3 LEU 13 HB3 LEU 13 18.282 8.926 -10.757 105 HG LEU 13 HG LEU 13 17.724 10.839 -9.182 106 HD11 LEU 13 HD11 LEU 13 18.711 10.709 -6.901 107 HD12 LEU 13 HD12 LEU 13 19.126 9.018 -7.189 108 HD13 LEU 13 HD13 LEU 13 17.434 9.511 -7.121 109 HD21 LEU 13 HD21 LEU 13 19.841 10.782 -10.403 110 HD22 LEU 13 HD22 LEU 13 20.549 9.730 -9.178 111 HD23 LEU 13 HD23 LEU 13 20.124 11.394 -8.773 112 H ALA 14 H ALA 14 14.757 9.387 -10.918 113 HA ALA 14 HA ALA 14 15.122 7.584 -13.203 114 HB1 ALA 14 HB1 ALA 14 12.585 7.457 -13.392 115 HB2 ALA 14 HB2 ALA 14 12.522 8.054 -11.734 116 HB3 ALA 14 HB3 ALA 14 13.301 6.512 -12.087 117 H LYS 15 H LYS 15 14.807 8.600 -15.167 118 HA LYS 15 HA LYS 15 14.574 11.504 -15.078 119 HB2 LYS 15 HB2 LYS 15 15.184 11.423 -17.480 120 HB3 LYS 15 HB3 LYS 15 16.347 10.569 -16.464 121 HG2 LYS 15 HG2 LYS 15 15.216 8.412 -17.031 122 HG3 LYS 15 HG3 LYS 15 14.124 9.292 -18.100 123 HD2 LYS 15 HD2 LYS 15 17.133 9.416 -18.399 124 HD3 LYS 15 HD3 LYS 15 16.151 8.201 -19.218 125 HE2 LYS 15 HE2 LYS 15 14.818 10.017 -20.275 126 HE3 LYS 15 HE3 LYS 15 15.858 11.210 -19.497 127 HZ1 LYS 15 HZ1 LYS 15 17.594 10.724 -20.850 128 HZ2 LYS 15 HZ2 LYS 15 16.331 10.319 -21.914 129 HZ3 LYS 15 HZ3 LYS 15 17.149 9.102 -21.056 130 H VAL 16 H VAL 16 13.143 12.754 -16.368 131 HA VAL 16 HA VAL 16 10.458 11.944 -16.262 132 HB VAL 16 HB VAL 16 11.164 14.310 -16.254 133 HG11 VAL 16 HG11 VAL 16 12.966 14.080 -17.962 134 HG12 VAL 16 HG12 VAL 16 11.874 15.424 -18.295 135 HG13 VAL 16 HG13 VAL 16 11.727 13.923 -19.207 136 HG21 VAL 16 HG21 VAL 16 9.380 15.176 -17.694 137 HG22 VAL 16 HG22 VAL 16 8.837 13.678 -16.941 138 HG23 VAL 16 HG23 VAL 16 9.363 13.677 -18.623 139 H GLY 17 H GLY 17 9.060 11.085 -17.698 140 HA2 GLY 17 HA2 GLY 17 8.288 10.360 -19.838 141 HA3 GLY 17 HA3 GLY 17 9.943 10.429 -20.435 142 H GLU 18 H GLU 18 10.826 9.069 -17.860 143 HA GLU 18 HA GLU 18 10.247 6.296 -18.654 144 HB2 GLU 18 HB2 GLU 18 12.418 7.412 -16.846 145 HB3 GLU 18 HB3 GLU 18 12.221 5.716 -17.279 146 HG2 GLU 18 HG2 GLU 18 12.733 7.969 -19.254 147 HG3 GLU 18 HG3 GLU 18 13.952 6.837 -18.678 148 H ASP 19 H ASP 19 9.921 4.740 -16.843 149 HA ASP 19 HA ASP 19 7.955 5.779 -15.012 150 HB2 ASP 19 HB2 ASP 19 7.730 3.436 -14.280 151 HB3 ASP 19 HB3 ASP 19 7.638 3.592 -16.036 152 H ALA 20 H ALA 20 8.012 5.483 -12.697 153 HA ALA 20 HA ALA 20 10.733 5.598 -11.540 154 HB1 ALA 20 HB1 ALA 20 10.192 7.757 -11.102 155 HB2 ALA 20 HB2 ALA 20 9.240 7.078 -9.786 156 HB3 ALA 20 HB3 ALA 20 8.466 7.479 -11.320 157 H LEU 21 H LEU 21 10.804 5.025 -9.195 158 HA LEU 21 HA LEU 21 8.706 3.035 -8.510 159 HB2 LEU 21 HB2 LEU 21 10.809 1.981 -9.354 160 HB3 LEU 21 HB3 LEU 21 11.673 2.702 -7.997 161 HG LEU 21 HG LEU 21 10.004 1.529 -6.471 162 HD11 LEU 21 HD11 LEU 21 9.274 0.277 -9.124 163 HD12 LEU 21 HD12 LEU 21 8.201 1.040 -7.951 164 HD13 LEU 21 HD13 LEU 21 8.938 -0.523 -7.586 165 HD21 LEU 21 HD21 LEU 21 11.207 -0.572 -6.549 166 HD22 LEU 21 HD22 LEU 21 12.337 0.708 -6.991 167 HD23 LEU 21 HD23 LEU 21 11.635 -0.319 -8.242 168 H LEU 22 H LEU 22 7.675 3.733 -6.807 169 HA LEU 22 HA LEU 22 9.095 5.153 -4.634 170 HB2 LEU 22 HB2 LEU 22 6.119 4.723 -4.573 171 HB3 LEU 22 HB3 LEU 22 7.085 6.065 -3.980 172 HG LEU 22 HG LEU 22 6.751 5.650 -6.964 173 HD11 LEU 22 HD11 LEU 22 4.872 7.490 -6.604 174 HD12 LEU 22 HD12 LEU 22 4.745 6.765 -5.003 175 HD13 LEU 22 HD13 LEU 22 4.487 5.780 -6.437 176 HD21 LEU 22 HD21 LEU 22 7.969 7.585 -7.055 177 HD22 LEU 22 HD22 LEU 22 8.157 7.562 -5.312 178 HD23 LEU 22 HD23 LEU 22 6.817 8.429 -6.032 179 H THR 23 H THR 23 9.638 3.950 -2.816 180 HA THR 23 HA THR 23 7.950 1.645 -2.146 181 HB THR 23 HB THR 23 9.633 0.681 -3.630 182 HG1 THR 23 HG1 THR 23 9.645 -0.935 -2.326 183 HG21 THR 23 HG21 THR 23 11.600 1.952 -1.711 184 HG22 THR 23 HG22 THR 23 11.437 2.260 -3.440 185 HG23 THR 23 HG23 THR 23 12.044 0.705 -2.876 186 H CYS 24 H CYS 24 8.120 0.787 -0.113 187 HA CYS 24 HA CYS 24 9.758 2.177 1.902 188 HB2 CYS 24 HB2 CYS 24 7.763 2.411 3.353 189 HB3 CYS 24 HB3 CYS 24 7.625 3.360 1.866 190 H GLN 25 H GLN 25 9.762 0.946 4.012 191 HA GLN 25 HA GLN 25 9.342 -1.960 3.494 192 HB2 GLN 25 HB2 GLN 25 11.132 -1.103 5.755 193 HB3 GLN 25 HB3 GLN 25 11.190 -2.540 4.765 194 HG2 GLN 25 HG2 GLN 25 11.906 0.220 3.722 195 HG3 GLN 25 HG3 GLN 25 13.087 -0.939 4.326 196 HE21 GLN 25 HE21 GLN 25 13.949 -2.310 2.770 197 HE22 GLN 25 HE22 GLN 25 13.226 -2.657 1.275 198 H LEU 26 H LEU 26 7.651 -2.818 4.457 199 HA LEU 26 HA LEU 26 6.966 -1.956 7.194 200 HB2 LEU 26 HB2 LEU 26 4.543 -2.105 6.623 201 HB3 LEU 26 HB3 LEU 26 5.391 -0.807 5.793 202 HG LEU 26 HG LEU 26 5.701 -2.640 3.872 203 HD11 LEU 26 HD11 LEU 26 3.472 -3.999 3.819 204 HD12 LEU 26 HD12 LEU 26 3.435 -3.708 5.557 205 HD13 LEU 26 HD13 LEU 26 4.786 -4.574 4.835 206 HD21 LEU 26 HD21 LEU 26 4.434 -0.505 3.658 207 HD22 LEU 26 HD22 LEU 26 3.028 -1.278 4.385 208 HD23 LEU 26 HD23 LEU 26 3.620 -1.826 2.817 209 H LEU 27 H LEU 27 5.871 -3.523 8.493 210 HA LEU 27 HA LEU 27 6.328 -6.298 7.561 211 HB2 LEU 27 HB2 LEU 27 7.795 -5.594 9.427 212 HB3 LEU 27 HB3 LEU 27 6.376 -5.213 10.397 213 HG LEU 27 HG LEU 27 5.659 -7.624 10.180 214 HD11 LEU 27 HD11 LEU 27 6.803 -8.323 8.184 215 HD12 LEU 27 HD12 LEU 27 7.514 -9.239 9.514 216 HD13 LEU 27 HD13 LEU 27 8.370 -7.852 8.840 217 HD21 LEU 27 HD21 LEU 27 6.839 -6.874 12.187 218 HD22 LEU 27 HD22 LEU 27 8.395 -7.086 11.385 219 HD23 LEU 27 HD23 LEU 27 7.397 -8.491 11.757 220 HA PRO 28 HA PRO 28 1.736 -6.278 8.253 221 HB2 PRO 28 HB2 PRO 28 1.062 -8.224 6.547 222 HB3 PRO 28 HB3 PRO 28 1.517 -6.606 5.961 223 HG2 PRO 28 HG2 PRO 28 3.166 -9.094 6.085 224 HG3 PRO 28 HG3 PRO 28 3.003 -7.917 4.767 225 HD2 PRO 28 HD2 PRO 28 5.106 -7.892 6.522 226 HD3 PRO 28 HD3 PRO 28 4.494 -6.429 5.721 227 H LYS 29 H LYS 29 0.339 -7.762 9.359 228 HA LYS 29 HA LYS 29 1.583 -9.588 11.155 229 HB2 LYS 29 HB2 LYS 29 -1.311 -9.181 10.375 230 HB3 LYS 29 HB3 LYS 29 -0.798 -10.309 11.631 231 HG2 LYS 29 HG2 LYS 29 0.353 -8.421 12.802 232 HG3 LYS 29 HG3 LYS 29 -0.305 -7.313 11.599 233 HD2 LYS 29 HD2 LYS 29 -2.052 -9.127 13.292 234 HD3 LYS 29 HD3 LYS 29 -1.639 -7.481 13.767 235 HE2 LYS 29 HE2 LYS 29 -2.627 -6.644 11.635 236 HE3 LYS 29 HE3 LYS 29 -3.100 -8.294 11.231 237 HZ1 LYS 29 HZ1 LYS 29 -4.870 -6.933 12.303 238 HZ2 LYS 29 HZ2 LYS 29 -3.932 -6.911 13.720 239 HZ3 LYS 29 HZ3 LYS 29 -4.524 -8.384 13.110 240 H ARG 30 H ARG 30 -0.243 -9.999 8.172 241 HA ARG 30 HA ARG 30 1.151 -12.279 7.312 242 HB2 ARG 30 HB2 ARG 30 -0.203 -13.338 9.175 243 HB3 ARG 30 HB3 ARG 30 -1.654 -12.931 8.260 244 HG2 ARG 30 HG2 ARG 30 -0.873 -14.256 6.359 245 HG3 ARG 30 HG3 ARG 30 0.639 -14.609 7.194 246 HD2 ARG 30 HD2 ARG 30 -0.639 -15.749 8.989 247 HD3 ARG 30 HD3 ARG 30 -2.132 -15.436 8.107 248 HE ARG 30 HE ARG 30 -0.377 -16.763 6.357 249 HH11 ARG 30 HH11 ARG 30 -2.092 -17.465 9.344 250 HH12 ARG 30 HH12 ARG 30 -2.214 -19.161 9.016 251 HH21 ARG 30 HH21 ARG 30 -0.570 -18.981 5.964 252 HH22 ARG 30 HH22 ARG 30 -1.357 -20.013 7.111 253 H THR 31 H THR 31 0.948 -12.310 5.145 254 HA THR 31 HA THR 31 0.372 -11.494 3.084 255 HB THR 31 HB THR 31 -1.072 -13.507 3.335 256 HG1 THR 31 HG1 THR 31 -1.304 -12.658 1.383 257 HG21 THR 31 HG21 THR 31 -3.549 -13.030 3.758 258 HG22 THR 31 HG22 THR 31 -3.033 -11.476 4.411 259 HG23 THR 31 HG23 THR 31 -2.493 -12.975 5.169 260 H THR 32 H THR 32 -2.026 -10.347 2.092 261 HA THR 32 HA THR 32 -2.346 -7.877 3.671 262 HB THR 32 HB THR 32 -0.670 -7.335 2.011 263 HG1 THR 32 HG1 THR 32 -1.669 -5.567 1.300 264 HG21 THR 32 HG21 THR 32 -2.680 -8.298 -0.048 265 HG22 THR 32 HG22 THR 32 -1.190 -9.132 0.391 266 HG23 THR 32 HG23 THR 32 -1.117 -7.559 -0.400 267 H ALA 33 H ALA 33 -4.080 -10.189 3.308 268 HA ALA 33 HA ALA 33 -6.230 -9.653 1.543 269 HB1 ALA 33 HB1 ALA 33 -5.705 -11.835 2.778 270 HB2 ALA 33 HB2 ALA 33 -7.401 -11.357 2.695 271 HB3 ALA 33 HB3 ALA 33 -6.484 -11.097 4.177 272 H HIS 34 H HIS 34 -5.592 -8.730 4.899 273 HA HIS 34 HA HIS 34 -7.986 -6.981 4.843 274 HB2 HIS 34 HB2 HIS 34 -6.622 -8.249 7.233 275 HB3 HIS 34 HB3 HIS 34 -7.991 -7.134 7.314 276 HD2 HIS 34 HD2 HIS 34 -7.392 -10.890 6.964 277 HE1 HIS 34 HE1 HIS 34 -11.346 -10.232 5.640 278 HE2 HIS 34 HE2 HIS 34 -9.658 -12.008 6.309 279 H MET 35 H MET 35 -5.046 -6.506 4.032 280 HA MET 35 HA MET 35 -4.405 -4.265 5.845 281 HB2 MET 35 HB2 MET 35 -2.674 -5.615 3.755 282 HB3 MET 35 HB3 MET 35 -2.159 -4.320 4.835 283 HG2 MET 35 HG2 MET 35 -3.185 -7.026 5.754 284 HG3 MET 35 HG3 MET 35 -1.482 -6.581 5.657 285 HE1 MET 35 HE1 MET 35 -2.857 -7.744 8.038 286 HE2 MET 35 HE2 MET 35 -2.496 -6.757 9.452 287 HE3 MET 35 HE3 MET 35 -1.205 -7.177 8.328 288 H GLU 36 H GLU 36 -3.874 -2.216 5.048 289 HA GLU 36 HA GLU 36 -4.605 -1.618 2.265 290 HB2 GLU 36 HB2 GLU 36 -6.644 -1.066 3.395 291 HB3 GLU 36 HB3 GLU 36 -5.800 -0.356 4.759 292 HG2 GLU 36 HG2 GLU 36 -6.754 1.433 3.379 293 HG3 GLU 36 HG3 GLU 36 -5.000 1.488 3.244 294 H VAL 37 H VAL 37 -3.052 -0.437 1.326 295 HA VAL 37 HA VAL 37 -1.237 1.110 3.064 296 HB VAL 37 HB VAL 37 -0.528 -0.315 0.476 297 HG11 VAL 37 HG11 VAL 37 1.804 0.315 1.090 298 HG12 VAL 37 HG12 VAL 37 1.174 1.238 2.453 299 HG13 VAL 37 HG13 VAL 37 0.787 1.730 0.805 300 HG21 VAL 37 HG21 VAL 37 -0.804 -1.952 2.241 301 HG22 VAL 37 HG22 VAL 37 0.080 -0.943 3.385 302 HG23 VAL 37 HG23 VAL 37 0.927 -1.691 2.032 303 H ARG 38 H ARG 38 -1.106 3.213 2.685 304 HA ARG 38 HA ARG 38 -2.236 4.269 0.160 305 HB2 ARG 38 HB2 ARG 38 -2.323 5.400 2.962 306 HB3 ARG 38 HB3 ARG 38 -2.829 6.296 1.532 307 HG2 ARG 38 HG2 ARG 38 -4.540 4.652 1.027 308 HG3 ARG 38 HG3 ARG 38 -3.962 3.593 2.313 309 HD2 ARG 38 HD2 ARG 38 -5.927 4.786 3.105 310 HD3 ARG 38 HD3 ARG 38 -4.514 5.373 3.974 311 HE ARG 38 HE ARG 38 -4.928 7.006 1.701 312 HH11 ARG 38 HH11 ARG 38 -6.464 6.306 4.786 313 HH12 ARG 38 HH12 ARG 38 -7.173 7.881 4.927 314 HH21 ARG 38 HH21 ARG 38 -5.844 9.058 1.949 315 HH22 ARG 38 HH22 ARG 38 -6.825 9.426 3.327 316 H TRP 39 H TRP 39 -0.928 5.442 -1.098 317 HA TRP 39 HA TRP 39 1.603 6.492 0.032 318 HB2 TRP 39 HB2 TRP 39 0.943 5.645 -2.809 319 HB3 TRP 39 HB3 TRP 39 2.486 6.295 -2.266 320 HD1 TRP 39 HD1 TRP 39 3.839 4.757 -0.390 321 HE1 TRP 39 HE1 TRP 39 3.969 2.203 -0.181 322 HE3 TRP 39 HE3 TRP 39 -0.261 3.413 -3.147 323 HZ2 TRP 39 HZ2 TRP 39 2.588 -0.088 -1.047 324 HZ3 TRP 39 HZ3 TRP 39 -0.825 1.011 -3.441 325 HH2 TRP 39 HH2 TRP 39 0.588 -0.744 -2.395 326 H TYR 40 H TYR 40 2.032 8.625 -0.169 327 HA TYR 40 HA TYR 40 0.020 10.301 -1.573 328 HB2 TYR 40 HB2 TYR 40 1.667 10.930 0.889 329 HB3 TYR 40 HB3 TYR 40 0.572 12.052 0.089 330 HD1 TYR 40 HD1 TYR 40 0.811 8.950 2.075 331 HD2 TYR 40 HD2 TYR 40 -1.840 11.812 0.283 332 HE1 TYR 40 HE1 TYR 40 -1.077 8.025 3.388 333 HE2 TYR 40 HE2 TYR 40 -3.727 10.887 1.592 334 HH TYR 40 HH TYR 40 -3.579 9.319 4.159 335 H ARG 41 H ARG 41 0.765 11.481 -3.242 336 HA ARG 41 HA ARG 41 3.613 11.646 -3.778 337 HB2 ARG 41 HB2 ARG 41 1.716 11.324 -5.500 338 HB3 ARG 41 HB3 ARG 41 1.445 13.055 -5.343 339 HG2 ARG 41 HG2 ARG 41 4.295 12.178 -5.804 340 HG3 ARG 41 HG3 ARG 41 3.179 11.974 -7.146 341 HD2 ARG 41 HD2 ARG 41 3.346 14.594 -5.663 342 HD3 ARG 41 HD3 ARG 41 4.450 14.219 -6.977 343 HE ARG 41 HE ARG 41 1.881 13.697 -7.935 344 HH11 ARG 41 HH11 ARG 41 3.628 16.498 -6.738 345 HH12 ARG 41 HH12 ARG 41 2.731 17.623 -7.703 346 HH21 ARG 41 HH21 ARG 41 0.751 15.194 -9.196 347 HH22 ARG 41 HH22 ARG 41 1.113 16.885 -9.088 348 H SER 42 H SER 42 4.361 12.889 -2.007 349 HA SER 42 HA SER 42 4.865 14.776 -0.803 350 HB2 SER 42 HB2 SER 42 4.343 16.070 -3.484 351 HB3 SER 42 HB3 SER 42 5.169 16.834 -2.132 352 HG SER 42 HG SER 42 6.004 14.834 -3.873 353 H ASP 43 H ASP 43 1.864 14.011 -1.233 354 HA ASP 43 HA ASP 43 0.778 16.443 -0.009 355 HB2 ASP 43 HB2 ASP 43 -0.581 14.836 -2.200 356 HB3 ASP 43 HB3 ASP 43 -1.327 16.150 -1.294 357 HA PRO 44 HA PRO 44 0.035 12.565 2.573 358 HB2 PRO 44 HB2 PRO 44 -0.153 13.985 4.954 359 HB3 PRO 44 HB3 PRO 44 1.346 13.283 4.310 360 HG2 PRO 44 HG2 PRO 44 0.346 16.088 4.117 361 HG3 PRO 44 HG3 PRO 44 1.986 15.496 4.447 362 HD2 PRO 44 HD2 PRO 44 1.356 16.402 2.018 363 HD3 PRO 44 HD3 PRO 44 2.394 14.964 2.196 364 H ASP 45 H ASP 45 -1.542 15.711 2.499 365 HA ASP 45 HA ASP 45 -4.002 14.923 3.729 366 HB2 ASP 45 HB2 ASP 45 -3.160 17.273 3.597 367 HB3 ASP 45 HB3 ASP 45 -3.516 17.254 1.871 368 H MET 46 H MET 46 -2.784 14.944 0.414 369 HA MET 46 HA MET 46 -5.407 13.967 -0.554 370 HB2 MET 46 HB2 MET 46 -4.649 16.136 -1.497 371 HB3 MET 46 HB3 MET 46 -3.209 15.340 -2.124 372 HG2 MET 46 HG2 MET 46 -4.638 15.311 -3.973 373 HG3 MET 46 HG3 MET 46 -4.912 13.717 -3.282 374 HE1 MET 46 HE1 MET 46 -8.393 13.488 -3.436 375 HE2 MET 46 HE2 MET 46 -7.675 13.224 -1.852 376 HE3 MET 46 HE3 MET 46 -6.763 12.811 -3.300 377 HA PRO 47 HA PRO 47 -2.786 10.144 -1.234 378 HB2 PRO 47 HB2 PRO 47 -4.859 8.416 -1.523 379 HB3 PRO 47 HB3 PRO 47 -4.278 8.944 0.073 380 HG2 PRO 47 HG2 PRO 47 -6.599 9.932 -1.522 381 HG3 PRO 47 HG3 PRO 47 -6.515 9.531 0.202 382 HD2 PRO 47 HD2 PRO 47 -6.391 12.085 -0.646 383 HD3 PRO 47 HD3 PRO 47 -5.453 11.529 0.761 384 H VAL 48 H VAL 48 -2.266 9.033 -3.167 385 HA VAL 48 HA VAL 48 -3.700 9.981 -5.578 386 HB VAL 48 HB VAL 48 -1.664 9.387 -6.847 387 HG11 VAL 48 HG11 VAL 48 -0.316 11.235 -6.058 388 HG12 VAL 48 HG12 VAL 48 -1.051 11.145 -4.458 389 HG13 VAL 48 HG13 VAL 48 -2.014 11.656 -5.843 390 HG21 VAL 48 HG21 VAL 48 -0.762 7.599 -5.462 391 HG22 VAL 48 HG22 VAL 48 -0.596 8.692 -4.089 392 HG23 VAL 48 HG23 VAL 48 0.421 8.906 -5.511 393 H ILE 49 H ILE 49 -2.368 7.016 -4.120 394 HA ILE 49 HA ILE 49 -4.449 5.421 -5.339 395 HB ILE 49 HB ILE 49 -2.680 5.660 -7.145 396 HG12 ILE 49 HG12 ILE 49 -2.549 3.076 -7.518 397 HG13 ILE 49 HG13 ILE 49 -3.507 2.963 -6.035 398 HG21 ILE 49 HG21 ILE 49 -0.760 5.504 -5.444 399 HG22 ILE 49 HG22 ILE 49 -0.573 4.647 -6.973 400 HG23 ILE 49 HG23 ILE 49 -1.007 3.757 -5.515 401 HD11 ILE 49 HD11 ILE 49 -5.021 2.984 -7.928 402 HD12 ILE 49 HD12 ILE 49 -4.252 4.430 -8.581 403 HD13 ILE 49 HD13 ILE 49 -5.177 4.524 -7.085 404 H MET 50 H MET 50 -4.772 3.429 -4.270 405 HA MET 50 HA MET 50 -2.908 2.821 -2.056 406 HB2 MET 50 HB2 MET 50 -4.792 2.464 -0.519 407 HB3 MET 50 HB3 MET 50 -4.759 4.122 -1.117 408 HG2 MET 50 HG2 MET 50 -6.474 3.519 -2.819 409 HG3 MET 50 HG3 MET 50 -6.538 1.890 -2.147 410 HE1 MET 50 HE1 MET 50 -6.298 5.511 -0.273 411 HE2 MET 50 HE2 MET 50 -8.025 5.825 -0.415 412 HE3 MET 50 HE3 MET 50 -7.075 5.518 -1.865 413 H TYR 51 H TYR 51 -2.907 0.708 -1.252 414 HA TYR 51 HA TYR 51 -3.931 -1.337 -3.139 415 HB2 TYR 51 HB2 TYR 51 -1.417 -0.999 -2.874 416 HB3 TYR 51 HB3 TYR 51 -1.603 -1.598 -1.232 417 HD1 TYR 51 HD1 TYR 51 -1.965 -2.468 -4.818 418 HD2 TYR 51 HD2 TYR 51 -1.963 -3.934 -0.780 419 HE1 TYR 51 HE1 TYR 51 -1.861 -4.796 -5.664 420 HE2 TYR 51 HE2 TYR 51 -1.864 -6.261 -1.627 421 HH TYR 51 HH TYR 51 -2.101 -7.575 -3.493 422 H ARG 52 H ARG 52 -5.655 -2.398 -2.302 423 HA ARG 52 HA ARG 52 -5.651 -3.093 0.572 424 HB2 ARG 52 HB2 ARG 52 -7.069 -1.100 0.192 425 HB3 ARG 52 HB3 ARG 52 -8.030 -2.014 -0.963 426 HG2 ARG 52 HG2 ARG 52 -8.763 -3.553 0.764 427 HG3 ARG 52 HG3 ARG 52 -7.666 -2.830 1.940 428 HD2 ARG 52 HD2 ARG 52 -9.926 -1.975 2.302 429 HD3 ARG 52 HD3 ARG 52 -8.888 -0.677 1.721 430 HE ARG 52 HE ARG 52 -10.206 -1.973 -0.461 431 HH11 ARG 52 HH11 ARG 52 -10.806 0.302 2.148 432 HH12 ARG 52 HH12 ARG 52 -12.097 1.103 1.315 433 HH21 ARG 52 HH21 ARG 52 -11.892 -0.893 -1.514 434 HH22 ARG 52 HH22 ARG 52 -12.706 0.428 -0.745 435 H ASP 53 H ASP 53 -6.447 -5.056 1.123 436 HA ASP 53 HA ASP 53 -7.050 -7.254 0.897 437 HB2 ASP 53 HB2 ASP 53 -9.222 -6.007 0.428 438 HB3 ASP 53 HB3 ASP 53 -8.908 -6.286 -1.282 439 H GLY 54 H GLY 54 -4.742 -6.596 -0.502 440 HA2 GLY 54 HA2 GLY 54 -3.268 -7.625 -1.946 441 HA3 GLY 54 HA3 GLY 54 -4.502 -8.848 -2.228 442 H ALA 55 H ALA 55 -5.586 -5.651 -2.866 443 HA ALA 55 HA ALA 55 -4.803 -5.711 -5.684 444 HB1 ALA 55 HB1 ALA 55 -7.686 -5.750 -4.772 445 HB2 ALA 55 HB2 ALA 55 -6.851 -7.011 -5.679 446 HB3 ALA 55 HB3 ALA 55 -7.154 -5.443 -6.426 447 H GLU 56 H GLU 56 -4.884 -3.737 -6.707 448 HA GLU 56 HA GLU 56 -5.025 -1.412 -4.952 449 HB2 GLU 56 HB2 GLU 56 -3.978 -0.187 -6.807 450 HB3 GLU 56 HB3 GLU 56 -3.071 -1.653 -6.442 451 HG2 GLU 56 HG2 GLU 56 -5.208 -1.848 -8.553 452 HG3 GLU 56 HG3 GLU 56 -3.729 -0.993 -8.960 453 H VAL 57 H VAL 57 -6.255 0.488 -5.456 454 HA VAL 57 HA VAL 57 -8.925 -0.004 -6.199 455 HB VAL 57 HB VAL 57 -9.195 2.466 -6.242 456 HG11 VAL 57 HG11 VAL 57 -8.556 2.836 -3.895 457 HG12 VAL 57 HG12 VAL 57 -7.504 1.421 -3.956 458 HG13 VAL 57 HG13 VAL 57 -9.250 1.229 -4.115 459 HG21 VAL 57 HG21 VAL 57 -7.175 3.847 -5.636 460 HG22 VAL 57 HG22 VAL 57 -7.075 3.133 -7.245 461 HG23 VAL 57 HG23 VAL 57 -6.174 2.421 -5.907 462 H THR 58 H THR 58 -10.132 0.834 -8.028 463 HA THR 58 HA THR 58 -8.534 1.063 -10.504 464 HB THR 58 HB THR 58 -9.315 -1.253 -10.313 465 HG1 THR 58 HG1 THR 58 -10.103 -1.329 -12.323 466 HG21 THR 58 HG21 THR 58 -11.755 -1.741 -10.349 467 HG22 THR 58 HG22 THR 58 -12.082 -0.019 -10.152 468 HG23 THR 58 HG23 THR 58 -11.264 -0.912 -8.871 469 H GLY 59 H GLY 59 -9.493 2.164 -12.242 470 HA2 GLY 59 HA2 GLY 59 -11.546 4.110 -11.433 471 HA3 GLY 59 HA3 GLY 59 -10.431 4.288 -12.785 472 H LEU 60 H LEU 60 -13.540 3.991 -12.184 473 HA LEU 60 HA LEU 60 -14.502 1.855 -13.719 474 HB2 LEU 60 HB2 LEU 60 -15.736 3.406 -12.061 475 HB3 LEU 60 HB3 LEU 60 -15.957 4.482 -13.433 476 HG LEU 60 HG LEU 60 -16.782 1.562 -13.482 477 HD11 LEU 60 HD11 LEU 60 -17.951 2.924 -11.697 478 HD12 LEU 60 HD12 LEU 60 -19.025 2.257 -12.927 479 HD13 LEU 60 HD13 LEU 60 -18.568 3.960 -12.983 480 HD21 LEU 60 HD21 LEU 60 -17.145 3.948 -15.312 481 HD22 LEU 60 HD22 LEU 60 -18.381 2.694 -15.294 482 HD23 LEU 60 HD23 LEU 60 -16.729 2.288 -15.721 483 HA PRO 61 HA PRO 61 -14.972 4.941 -17.461 484 HB2 PRO 61 HB2 PRO 61 -13.275 7.088 -17.594 485 HB3 PRO 61 HB3 PRO 61 -14.921 7.148 -16.936 486 HG2 PRO 61 HG2 PRO 61 -12.321 6.994 -15.507 487 HG3 PRO 61 HG3 PRO 61 -13.793 7.888 -15.091 488 HD2 PRO 61 HD2 PRO 61 -13.090 5.570 -13.875 489 HD3 PRO 61 HD3 PRO 61 -14.784 6.072 -14.075 490 H MET 62 H MET 62 -11.504 5.629 -16.707 491 HA MET 62 HA MET 62 -10.708 3.611 -18.707 492 HB2 MET 62 HB2 MET 62 -9.843 6.508 -18.827 493 HB3 MET 62 HB3 MET 62 -9.233 5.215 -19.857 494 HG2 MET 62 HG2 MET 62 -12.147 6.063 -19.699 495 HG3 MET 62 HG3 MET 62 -11.026 6.552 -20.967 496 HE1 MET 62 HE1 MET 62 -12.849 5.746 -22.546 497 HE2 MET 62 HE2 MET 62 -13.889 4.962 -21.362 498 HE3 MET 62 HE3 MET 62 -13.364 4.068 -22.784 499 H GLU 63 H GLU 63 -10.333 4.213 -15.655 500 HA GLU 63 HA GLU 63 -8.702 3.887 -14.073 501 HB2 GLU 63 HB2 GLU 63 -8.334 1.929 -16.005 502 HB3 GLU 63 HB3 GLU 63 -6.737 2.647 -15.934 503 HG2 GLU 63 HG2 GLU 63 -6.419 1.187 -14.207 504 HG3 GLU 63 HG3 GLU 63 -7.275 2.387 -13.245 505 H GLY 64 H GLY 64 -8.662 6.403 -14.820 506 HA2 GLY 64 HA2 GLY 64 -6.398 7.460 -16.100 507 HA3 GLY 64 HA3 GLY 64 -7.405 8.326 -14.946 508 H TYR 65 H TYR 65 -6.984 6.811 -12.640 509 HA TYR 65 HA TYR 65 -4.215 7.559 -11.997 510 HB2 TYR 65 HB2 TYR 65 -6.537 6.824 -10.203 511 HB3 TYR 65 HB3 TYR 65 -4.934 7.286 -9.637 512 HD1 TYR 65 HD1 TYR 65 -8.031 8.462 -11.237 513 HD2 TYR 65 HD2 TYR 65 -4.120 9.588 -9.865 514 HE1 TYR 65 HE1 TYR 65 -8.658 10.855 -11.420 515 HE2 TYR 65 HE2 TYR 65 -4.747 11.982 -10.049 516 HH TYR 65 HH TYR 65 -6.630 13.388 -10.161 517 H GLY 66 H GLY 66 -6.415 4.790 -11.789 518 HA2 GLY 66 HA2 GLY 66 -4.700 2.973 -10.507 519 HA3 GLY 66 HA3 GLY 66 -6.058 2.534 -11.536 520 H GLY 67 H GLY 67 -5.158 3.721 -13.932 521 HA2 GLY 67 HA2 GLY 67 -3.615 1.656 -15.042 522 HA3 GLY 67 HA3 GLY 67 -3.938 3.208 -15.806 523 H ARG 68 H ARG 68 -2.711 4.895 -13.895 524 HA ARG 68 HA ARG 68 -0.020 4.907 -14.812 525 HB2 ARG 68 HB2 ARG 68 -1.274 6.322 -12.445 526 HB3 ARG 68 HB3 ARG 68 0.319 6.670 -13.097 527 HG2 ARG 68 HG2 ARG 68 -2.218 6.850 -14.748 528 HG3 ARG 68 HG3 ARG 68 -1.521 8.226 -13.897 529 HD2 ARG 68 HD2 ARG 68 0.621 7.825 -15.160 530 HD3 ARG 68 HD3 ARG 68 -0.226 6.601 -16.103 531 HE ARG 68 HE ARG 68 -0.518 9.485 -16.332 532 HH11 ARG 68 HH11 ARG 68 -2.057 6.397 -16.971 533 HH12 ARG 68 HH12 ARG 68 -3.042 7.018 -18.253 534 HH21 ARG 68 HH21 ARG 68 -1.806 10.249 -18.018 535 HH22 ARG 68 HH22 ARG 68 -2.899 9.186 -18.840 536 H ALA 69 H ALA 69 -1.487 3.846 -11.736 537 HA ALA 69 HA ALA 69 1.150 3.021 -10.762 538 HB1 ALA 69 HB1 ALA 69 0.424 3.692 -8.768 539 HB2 ALA 69 HB2 ALA 69 -0.963 2.608 -8.834 540 HB3 ALA 69 HB3 ALA 69 -1.072 4.225 -9.524 541 H GLU 70 H GLU 70 1.757 0.985 -10.418 542 HA GLU 70 HA GLU 70 -0.211 -1.198 -10.483 543 HB2 GLU 70 HB2 GLU 70 2.292 -1.032 -12.175 544 HB3 GLU 70 HB3 GLU 70 1.409 -2.532 -11.886 545 HG2 GLU 70 HG2 GLU 70 -0.588 -1.642 -12.920 546 HG3 GLU 70 HG3 GLU 70 0.125 -0.037 -13.034 547 H TRP 71 H TRP 71 0.425 -3.049 -9.269 548 HA TRP 71 HA TRP 71 2.397 -2.448 -7.210 549 HB2 TRP 71 HB2 TRP 71 1.541 -4.449 -6.069 550 HB3 TRP 71 HB3 TRP 71 0.228 -3.370 -6.527 551 HD1 TRP 71 HD1 TRP 71 -1.338 -4.140 -8.565 552 HE1 TRP 71 HE1 TRP 71 -1.831 -6.471 -9.552 553 HE3 TRP 71 HE3 TRP 71 2.542 -6.781 -6.562 554 HZ2 TRP 71 HZ2 TRP 71 -0.729 -9.106 -9.492 555 HZ3 TRP 71 HZ3 TRP 71 2.796 -9.200 -7.040 556 HH2 TRP 71 HH2 TRP 71 1.165 -10.365 -8.503 557 H MET 72 H MET 72 4.447 -3.035 -7.309 558 HA MET 72 HA MET 72 5.136 -5.578 -8.620 559 HB2 MET 72 HB2 MET 72 5.559 -3.748 -10.246 560 HB3 MET 72 HB3 MET 72 6.636 -2.981 -9.083 561 HG2 MET 72 HG2 MET 72 8.094 -4.971 -9.099 562 HG3 MET 72 HG3 MET 72 7.006 -5.768 -10.236 563 HE1 MET 72 HE1 MET 72 6.080 -3.742 -12.274 564 HE2 MET 72 HE2 MET 72 6.741 -5.342 -12.593 565 HE3 MET 72 HE3 MET 72 7.336 -3.957 -13.503 566 H GLU 73 H GLU 73 5.626 -6.658 -6.794 567 HA GLU 73 HA GLU 73 6.996 -5.642 -4.536 568 HB2 GLU 73 HB2 GLU 73 5.640 -7.759 -4.585 569 HB3 GLU 73 HB3 GLU 73 6.947 -8.519 -5.491 570 HG2 GLU 73 HG2 GLU 73 8.509 -8.094 -3.647 571 HG3 GLU 73 HG3 GLU 73 7.244 -7.261 -2.746 572 H ASP 74 H ASP 74 9.145 -5.494 -4.022 573 HA ASP 74 HA ASP 74 11.027 -5.566 -6.212 574 HB2 ASP 74 HB2 ASP 74 12.589 -4.546 -4.680 575 HB3 ASP 74 HB3 ASP 74 11.026 -3.760 -4.500 576 H SER 75 H SER 75 13.340 -6.390 -5.568 577 HA SER 75 HA SER 75 13.170 -9.237 -5.438 578 HB2 SER 75 HB2 SER 75 15.567 -9.213 -5.709 579 HB3 SER 75 HB3 SER 75 14.861 -7.994 -6.762 580 HG SER 75 HG SER 75 15.600 -6.429 -5.450 581 H THR 76 H THR 76 13.600 -6.798 -3.009 582 HA THR 76 HA THR 76 15.058 -8.258 -1.077 583 HB THR 76 HB THR 76 13.020 -6.040 -0.660 584 HG1 THR 76 HG1 THR 76 14.557 -4.769 -1.299 585 HG21 THR 76 HG21 THR 76 15.190 -7.184 1.122 586 HG22 THR 76 HG22 THR 76 13.461 -7.105 1.458 587 HG23 THR 76 HG23 THR 76 14.417 -5.625 1.412 588 H GLU 77 H GLU 77 11.598 -8.033 -1.773 589 HA GLU 77 HA GLU 77 9.760 -9.114 -0.901 590 HB2 GLU 77 HB2 GLU 77 11.096 -10.783 -2.375 591 HB3 GLU 77 HB3 GLU 77 11.518 -11.562 -0.851 592 HG2 GLU 77 HG2 GLU 77 9.120 -11.827 -0.312 593 HG3 GLU 77 HG3 GLU 77 8.689 -11.024 -1.818 594 H GLU 78 H GLU 78 11.602 -8.006 1.178 595 HA GLU 78 HA GLU 78 11.030 -9.864 3.410 596 HB2 GLU 78 HB2 GLU 78 13.443 -9.168 3.007 597 HB3 GLU 78 HB3 GLU 78 12.965 -7.531 3.456 598 HG2 GLU 78 HG2 GLU 78 12.201 -8.331 5.649 599 HG3 GLU 78 HG3 GLU 78 12.608 -9.985 5.202 600 H GLY 79 H GLY 79 8.827 -8.666 2.627 601 HA2 GLY 79 HA2 GLY 79 7.023 -7.569 3.609 602 HA3 GLY 79 HA3 GLY 79 8.108 -6.924 4.834 603 H SER 80 H SER 80 9.540 -6.275 1.894 604 HA SER 80 HA SER 80 8.747 -3.477 1.989 605 HB2 SER 80 HB2 SER 80 10.776 -4.924 0.271 606 HB3 SER 80 HB3 SER 80 10.552 -3.180 0.345 607 HG SER 80 HG SER 80 11.596 -4.965 2.237 608 H VAL 81 H VAL 81 7.623 -2.409 0.434 609 HA VAL 81 HA VAL 81 6.721 -3.923 -1.936 610 HB VAL 81 HB VAL 81 4.480 -2.875 -1.724 611 HG11 VAL 81 HG11 VAL 81 5.388 -4.463 0.694 612 HG12 VAL 81 HG12 VAL 81 4.845 -5.131 -0.845 613 HG13 VAL 81 HG13 VAL 81 3.712 -4.257 0.186 614 HG21 VAL 81 HG21 VAL 81 5.336 -2.063 1.074 615 HG22 VAL 81 HG22 VAL 81 3.829 -1.664 0.252 616 HG23 VAL 81 HG23 VAL 81 5.343 -0.936 -0.282 617 H ALA 82 H ALA 82 6.248 -2.664 -3.788 618 HA ALA 82 HA ALA 82 7.133 0.149 -3.710 619 HB1 ALA 82 HB1 ALA 82 8.012 -1.583 -5.983 620 HB2 ALA 82 HB2 ALA 82 8.926 -1.607 -4.475 621 HB3 ALA 82 HB3 ALA 82 8.726 -0.095 -5.360 622 H LEU 83 H LEU 83 6.133 1.488 -5.110 623 HA LEU 83 HA LEU 83 3.870 0.416 -6.629 624 HB2 LEU 83 HB2 LEU 83 3.331 2.078 -4.886 625 HB3 LEU 83 HB3 LEU 83 4.446 3.222 -5.626 626 HG LEU 83 HG LEU 83 3.063 3.132 -7.723 627 HD11 LEU 83 HD11 LEU 83 1.883 1.094 -7.672 628 HD12 LEU 83 HD12 LEU 83 0.623 2.251 -7.253 629 HD13 LEU 83 HD13 LEU 83 1.396 1.298 -5.991 630 HD21 LEU 83 HD21 LEU 83 1.498 4.720 -6.940 631 HD22 LEU 83 HD22 LEU 83 2.766 4.802 -5.725 632 HD23 LEU 83 HD23 LEU 83 1.287 3.902 -5.392 633 H LYS 84 H LYS 84 4.064 0.323 -8.762 634 HA LYS 84 HA LYS 84 6.267 1.677 -10.114 635 HB2 LYS 84 HB2 LYS 84 5.786 -0.725 -10.555 636 HB3 LYS 84 HB3 LYS 84 4.204 -0.275 -11.188 637 HG2 LYS 84 HG2 LYS 84 5.288 1.081 -12.945 638 HG3 LYS 84 HG3 LYS 84 6.875 0.640 -12.308 639 HD2 LYS 84 HD2 LYS 84 6.414 -1.730 -12.747 640 HD3 LYS 84 HD3 LYS 84 4.811 -1.318 -13.359 641 HE2 LYS 84 HE2 LYS 84 6.331 -1.608 -15.244 642 HE3 LYS 84 HE3 LYS 84 5.891 0.095 -15.110 643 HZ1 LYS 84 HZ1 LYS 84 8.277 -0.217 -15.446 644 HZ2 LYS 84 HZ2 LYS 84 8.364 -1.122 -14.010 645 HZ3 LYS 84 HZ3 LYS 84 7.948 0.525 -13.959 646 H ILE 85 H ILE 85 5.948 3.686 -10.819 647 HA ILE 85 HA ILE 85 3.308 4.431 -11.913 648 HB ILE 85 HB ILE 85 4.079 5.571 -9.757 649 HG12 ILE 85 HG12 ILE 85 2.259 6.479 -11.190 650 HG13 ILE 85 HG13 ILE 85 3.167 7.767 -10.417 651 HG21 ILE 85 HG21 ILE 85 5.729 7.278 -9.776 652 HG22 ILE 85 HG22 ILE 85 5.895 7.207 -11.530 653 HG23 ILE 85 HG23 ILE 85 6.473 5.870 -10.537 654 HD11 ILE 85 HD11 ILE 85 4.549 7.764 -12.679 655 HD12 ILE 85 HD12 ILE 85 2.979 8.561 -12.617 656 HD13 ILE 85 HD13 ILE 85 3.119 6.951 -13.318 657 H ARG 86 H ARG 86 3.294 4.667 -14.037 658 HA ARG 86 HA ARG 86 5.799 4.847 -15.467 659 HB2 ARG 86 HB2 ARG 86 4.519 4.353 -17.463 660 HB3 ARG 86 HB3 ARG 86 4.044 3.261 -16.166 661 HG2 ARG 86 HG2 ARG 86 2.095 4.815 -15.702 662 HG3 ARG 86 HG3 ARG 86 2.517 5.668 -17.189 663 HD2 ARG 86 HD2 ARG 86 2.319 3.554 -18.457 664 HD3 ARG 86 HD3 ARG 86 1.872 2.714 -16.981 665 HE ARG 86 HE ARG 86 -0.253 3.716 -17.082 666 HH11 ARG 86 HH11 ARG 86 1.840 5.079 -19.560 667 HH12 ARG 86 HH12 ARG 86 0.532 5.816 -20.423 668 HH21 ARG 86 HH21 ARG 86 -1.927 4.650 -18.277 669 HH22 ARG 86 HH22 ARG 86 -1.581 5.574 -19.702 670 H GLN 87 H GLN 87 6.333 6.339 -17.065 671 HA GLN 87 HA GLN 87 6.680 8.420 -17.911 672 HB2 GLN 87 HB2 GLN 87 3.693 8.784 -17.489 673 HB3 GLN 87 HB3 GLN 87 4.713 9.715 -18.581 674 HG2 GLN 87 HG2 GLN 87 4.069 6.748 -18.790 675 HG3 GLN 87 HG3 GLN 87 3.528 8.017 -19.880 676 HE21 GLN 87 HE21 GLN 87 5.764 5.566 -19.645 677 HE22 GLN 87 HE22 GLN 87 6.970 6.167 -20.672 678 H VAL 88 H VAL 88 7.670 8.437 -15.529 679 HA VAL 88 HA VAL 88 6.583 10.121 -13.566 680 HB VAL 88 HB VAL 88 8.549 8.501 -13.342 681 HG11 VAL 88 HG11 VAL 88 9.796 9.817 -15.303 682 HG12 VAL 88 HG12 VAL 88 10.704 9.050 -14.005 683 HG13 VAL 88 HG13 VAL 88 10.407 10.786 -13.966 684 HG21 VAL 88 HG21 VAL 88 9.096 11.242 -12.182 685 HG22 VAL 88 HG22 VAL 88 9.399 9.668 -11.450 686 HG23 VAL 88 HG23 VAL 88 7.746 10.243 -11.642 687 H GLN 89 H GLN 89 7.215 12.272 -12.918 688 HA GLN 89 HA GLN 89 8.494 13.981 -14.857 689 HB2 GLN 89 HB2 GLN 89 6.264 15.594 -14.506 690 HB3 GLN 89 HB3 GLN 89 6.621 14.662 -15.947 691 HG2 GLN 89 HG2 GLN 89 4.401 14.079 -15.458 692 HG3 GLN 89 HG3 GLN 89 5.279 12.746 -14.729 693 HE21 GLN 89 HE21 GLN 89 5.975 13.358 -12.302 694 HE22 GLN 89 HE22 GLN 89 4.730 14.050 -11.380 695 HA PRO 90 HA PRO 90 10.038 16.610 -11.706 696 HB2 PRO 90 HB2 PRO 90 8.243 18.860 -12.516 697 HB3 PRO 90 HB3 PRO 90 9.994 18.860 -12.213 698 HG2 PRO 90 HG2 PRO 90 9.142 18.890 -14.678 699 HG3 PRO 90 HG3 PRO 90 10.472 17.799 -14.233 700 HD2 PRO 90 HD2 PRO 90 7.592 17.146 -14.726 701 HD3 PRO 90 HD3 PRO 90 9.045 16.224 -15.184 702 H SER 91 H SER 91 6.478 16.947 -11.969 703 HA SER 91 HA SER 91 6.053 17.877 -9.336 704 HB2 SER 91 HB2 SER 91 3.720 17.264 -9.649 705 HB3 SER 91 HB3 SER 91 4.346 18.000 -11.119 706 HG SER 91 HG SER 91 3.400 16.199 -11.838 707 H ASP 92 H ASP 92 6.507 14.617 -10.626 708 HA ASP 92 HA ASP 92 5.734 13.195 -8.265 709 HB2 ASP 92 HB2 ASP 92 7.499 12.436 -10.593 710 HB3 ASP 92 HB3 ASP 92 7.246 11.367 -9.224 711 H ASP 93 H ASP 93 8.714 14.705 -9.357 712 HA ASP 93 HA ASP 93 10.618 13.710 -7.590 713 HB2 ASP 93 HB2 ASP 93 10.932 15.506 -9.405 714 HB3 ASP 93 HB3 ASP 93 10.346 16.653 -8.215 715 H GLY 94 H GLY 94 10.817 13.663 -5.455 716 HA2 GLY 94 HA2 GLY 94 10.714 15.355 -3.469 717 HA3 GLY 94 HA3 GLY 94 8.982 15.250 -3.793 718 H GLN 95 H GLN 95 8.737 14.407 -1.637 719 HA GLN 95 HA GLN 95 9.595 11.593 -1.338 720 HB2 GLN 95 HB2 GLN 95 8.880 13.600 0.817 721 HB3 GLN 95 HB3 GLN 95 9.324 11.917 1.097 722 HG2 GLN 95 HG2 GLN 95 11.345 13.087 1.435 723 HG3 GLN 95 HG3 GLN 95 11.493 12.481 -0.211 724 HE21 GLN 95 HE21 GLN 95 12.647 14.131 -1.267 725 HE22 GLN 95 HE22 GLN 95 12.174 15.761 -1.280 726 H TYR 96 H TYR 96 8.107 10.069 -0.445 727 HA TYR 96 HA TYR 96 5.290 10.913 -0.464 728 HB2 TYR 96 HB2 TYR 96 4.600 9.348 -2.015 729 HB3 TYR 96 HB3 TYR 96 6.188 9.707 -2.658 730 HD1 TYR 96 HD1 TYR 96 4.150 7.199 -2.667 731 HD2 TYR 96 HD2 TYR 96 7.918 8.031 -0.804 732 HE1 TYR 96 HE1 TYR 96 4.633 4.801 -2.574 733 HE2 TYR 96 HE2 TYR 96 8.386 5.594 -0.707 734 HH TYR 96 HH TYR 96 7.119 3.500 -0.700 735 H TRP 97 H TRP 97 3.985 10.059 1.019 736 HA TRP 97 HA TRP 97 5.300 8.747 3.244 737 HB2 TRP 97 HB2 TRP 97 2.528 9.909 2.902 738 HB3 TRP 97 HB3 TRP 97 3.125 9.196 4.399 739 HD1 TRP 97 HD1 TRP 97 3.269 12.315 2.311 740 HE1 TRP 97 HE1 TRP 97 4.702 14.098 3.500 741 HE3 TRP 97 HE3 TRP 97 5.298 9.480 6.043 742 HZ2 TRP 97 HZ2 TRP 97 6.474 14.298 5.735 743 HZ3 TRP 97 HZ3 TRP 97 6.855 10.493 7.688 744 HH2 TRP 97 HH2 TRP 97 7.444 12.896 7.537 745 H CYS 98 H CYS 98 5.220 6.653 3.603 746 HA CYS 98 HA CYS 98 3.282 4.968 2.174 747 HB2 CYS 98 HB2 CYS 98 5.673 4.405 1.919 748 HB3 CYS 98 HB3 CYS 98 5.834 4.285 3.661 749 H ARG 99 H ARG 99 1.454 4.657 3.320 750 HA ARG 99 HA ARG 99 1.527 4.525 6.247 751 HB2 ARG 99 HB2 ARG 99 0.090 6.227 5.199 752 HB3 ARG 99 HB3 ARG 99 -0.743 4.977 4.287 753 HG2 ARG 99 HG2 ARG 99 -1.603 3.990 6.355 754 HG3 ARG 99 HG3 ARG 99 -0.688 5.156 7.319 755 HD2 ARG 99 HD2 ARG 99 -1.945 7.007 6.345 756 HD3 ARG 99 HD3 ARG 99 -2.800 5.901 5.279 757 HE ARG 99 HE ARG 99 -3.262 5.032 7.900 758 HH11 ARG 99 HH11 ARG 99 -3.967 7.860 5.941 759 HH12 ARG 99 HH12 ARG 99 -5.416 8.253 6.805 760 HH21 ARG 99 HH21 ARG 99 -5.161 5.585 9.009 761 HH22 ARG 99 HH22 ARG 99 -6.085 6.970 8.532 762 H PHE 100 H PHE 100 0.964 2.710 7.327 763 HA PHE 100 HA PHE 100 -0.059 0.380 5.781 764 HB2 PHE 100 HB2 PHE 100 2.280 0.123 6.737 765 HB3 PHE 100 HB3 PHE 100 1.584 0.316 8.341 766 HD1 PHE 100 HD1 PHE 100 1.360 -1.760 5.240 767 HD2 PHE 100 HD2 PHE 100 0.608 -1.536 9.461 768 HE1 PHE 100 HE1 PHE 100 0.775 -4.168 5.262 769 HE2 PHE 100 HE2 PHE 100 0.018 -3.945 9.483 770 HZ PHE 100 HZ PHE 100 0.103 -5.260 7.381 771 H GLN 101 H GLN 101 -2.122 0.003 6.195 772 HA GLN 101 HA GLN 101 -3.227 0.814 8.814 773 HB2 GLN 101 HB2 GLN 101 -4.506 0.568 6.097 774 HB3 GLN 101 HB3 GLN 101 -5.440 0.757 7.580 775 HG2 GLN 101 HG2 GLN 101 -4.279 2.841 8.072 776 HG3 GLN 101 HG3 GLN 101 -3.285 2.654 6.627 777 HE21 GLN 101 HE21 GLN 101 -5.984 4.271 7.728 778 HE22 GLN 101 HE22 GLN 101 -6.802 4.477 6.254 779 H GLU 102 H GLU 102 -4.109 -0.583 10.126 780 HA GLU 102 HA GLU 102 -5.276 -3.021 9.222 781 HB2 GLU 102 HB2 GLU 102 -3.853 -4.610 10.346 782 HB3 GLU 102 HB3 GLU 102 -2.803 -3.595 9.368 783 HG2 GLU 102 HG2 GLU 102 -3.278 -2.984 12.313 784 HG3 GLU 102 HG3 GLU 102 -2.054 -4.117 11.794 785 H GLY 103 H GLY 103 -6.931 -3.596 10.539 786 HA2 GLY 103 HA2 GLY 103 -8.484 -3.395 12.233 787 HA3 GLY 103 HA3 GLY 103 -7.098 -3.292 13.317 788 H ASP 104 H ASP 104 -7.357 -1.594 14.611 789 HA ASP 104 HA ASP 104 -8.477 0.915 13.540 790 HB2 ASP 104 HB2 ASP 104 -8.112 0.026 16.404 791 HB3 ASP 104 HB3 ASP 104 -8.844 1.543 15.887 792 H TYR 105 H TYR 105 -5.508 -0.236 13.567 793 HA TYR 105 HA TYR 105 -4.261 2.286 14.503 794 HB2 TYR 105 HB2 TYR 105 -3.176 -0.522 14.761 795 HB3 TYR 105 HB3 TYR 105 -2.260 0.941 15.114 796 HD1 TYR 105 HD1 TYR 105 -5.070 -1.206 16.178 797 HD2 TYR 105 HD2 TYR 105 -2.735 2.284 17.077 798 HE1 TYR 105 HE1 TYR 105 -6.022 -1.156 18.466 799 HE2 TYR 105 HE2 TYR 105 -3.683 2.335 19.359 800 HH TYR 105 HH TYR 105 -6.401 0.548 20.264 801 H TRP 106 H TRP 106 -2.698 3.191 13.234 802 HA TRP 106 HA TRP 106 -1.563 1.713 11.017 803 HB2 TRP 106 HB2 TRP 106 -2.199 3.315 9.274 804 HB3 TRP 106 HB3 TRP 106 -3.644 2.639 10.035 805 HD1 TRP 106 HD1 TRP 106 -1.712 5.852 9.560 806 HE1 TRP 106 HE1 TRP 106 -3.078 7.827 10.517 807 HE3 TRP 106 HE3 TRP 106 -5.448 3.287 11.934 808 HZ2 TRP 106 HZ2 TRP 106 -5.434 8.256 12.077 809 HZ3 TRP 106 HZ3 TRP 106 -7.236 4.506 13.147 810 HH2 TRP 106 HH2 TRP 106 -7.232 6.987 13.222 811 H ARG 107 H ARG 107 0.203 2.874 9.981 812 HA ARG 107 HA ARG 107 1.248 5.226 11.335 813 HB2 ARG 107 HB2 ARG 107 2.327 2.486 11.725 814 HB3 ARG 107 HB3 ARG 107 3.538 3.699 11.360 815 HG2 ARG 107 HG2 ARG 107 1.453 4.092 13.527 816 HG3 ARG 107 HG3 ARG 107 3.026 3.360 13.846 817 HD2 ARG 107 HD2 ARG 107 4.026 5.465 12.706 818 HD3 ARG 107 HD3 ARG 107 2.429 6.172 12.916 819 HE ARG 107 HE ARG 107 3.261 5.114 15.398 820 HH11 ARG 107 HH11 ARG 107 4.139 7.711 13.194 821 HH12 ARG 107 HH12 ARG 107 4.771 8.725 14.448 822 HH21 ARG 107 HH21 ARG 107 4.104 6.471 17.003 823 HH22 ARG 107 HH22 ARG 107 4.748 8.025 16.590 824 H GLU 108 H GLU 108 2.721 6.407 10.094 825 HA GLU 108 HA GLU 108 3.349 5.324 7.440 826 HB2 GLU 108 HB2 GLU 108 2.682 7.576 6.422 827 HB3 GLU 108 HB3 GLU 108 1.370 6.509 6.913 828 HG2 GLU 108 HG2 GLU 108 0.802 8.715 7.700 829 HG3 GLU 108 HG3 GLU 108 1.283 7.786 9.115 830 H THR 109 H THR 109 5.123 6.121 6.368 831 HA THR 109 HA THR 109 6.751 8.202 7.651 832 HB THR 109 HB THR 109 8.780 6.726 7.487 833 HG1 THR 109 HG1 THR 109 8.398 5.120 6.195 834 HG21 THR 109 HG21 THR 109 8.407 5.672 9.543 835 HG22 THR 109 HG22 THR 109 6.712 5.355 9.181 836 HG23 THR 109 HG23 THR 109 7.239 6.991 9.572 837 H SER 110 H SER 110 8.197 9.280 6.218 838 HA SER 110 HA SER 110 7.419 9.169 3.422 839 HB2 SER 110 HB2 SER 110 8.699 11.196 3.164 840 HB3 SER 110 HB3 SER 110 7.728 11.310 4.629 841 HG SER 110 HG SER 110 10.102 11.874 4.676 842 H VAL 111 H VAL 111 8.947 9.201 1.659 843 HA VAL 111 HA VAL 111 11.519 7.824 2.105 844 HB VAL 111 HB VAL 111 9.481 7.022 0.028 845 HG11 VAL 111 HG11 VAL 111 12.381 6.475 0.252 846 HG12 VAL 111 HG12 VAL 111 11.313 6.338 -1.131 847 HG13 VAL 111 HG13 VAL 111 11.413 5.022 0.020 848 HG21 VAL 111 HG21 VAL 111 9.501 4.823 1.318 849 HG22 VAL 111 HG22 VAL 111 8.799 6.176 2.197 850 HG23 VAL 111 HG23 VAL 111 10.437 5.649 2.565 851 H LEU 112 H LEU 112 13.124 8.247 0.433 852 HA LEU 112 HA LEU 112 12.610 10.841 -0.842 853 HB2 LEU 112 HB2 LEU 112 15.057 9.326 -0.017 854 HB3 LEU 112 HB3 LEU 112 15.206 10.541 -1.282 855 HG LEU 112 HG LEU 112 14.003 12.147 0.321 856 HD11 LEU 112 HD11 LEU 112 14.657 9.871 2.213 857 HD12 LEU 112 HD12 LEU 112 13.072 10.577 1.896 858 HD13 LEU 112 HD13 LEU 112 14.298 11.511 2.754 859 HD21 LEU 112 HD21 LEU 112 16.129 12.465 1.706 860 HD22 LEU 112 HD22 LEU 112 16.359 12.429 -0.042 861 HD23 LEU 112 HD23 LEU 112 16.746 11.007 0.926 862 H LEU 113 H LEU 113 12.148 11.081 -2.897 863 HA LEU 113 HA LEU 113 13.399 9.302 -4.873 864 HB2 LEU 113 HB2 LEU 113 10.444 9.892 -4.677 865 HB3 LEU 113 HB3 LEU 113 11.191 9.670 -6.254 866 HG LEU 113 HG LEU 113 12.257 7.498 -4.947 867 HD11 LEU 113 HD11 LEU 113 10.458 6.416 -3.648 868 HD12 LEU 113 HD12 LEU 113 9.494 7.888 -3.769 869 HD13 LEU 113 HD13 LEU 113 11.016 7.907 -2.891 870 HD21 LEU 113 HD21 LEU 113 10.088 7.953 -6.910 871 HD22 LEU 113 HD22 LEU 113 9.823 6.487 -5.989 872 HD23 LEU 113 HD23 LEU 113 11.324 6.706 -6.863 873 H GLN 114 H GLN 114 14.619 10.503 -6.120 874 HA GLN 114 HA GLN 114 13.711 13.241 -6.796 875 HB2 GLN 114 HB2 GLN 114 16.503 12.222 -6.240 876 HB3 GLN 114 HB3 GLN 114 16.177 13.771 -7.021 877 HG2 GLN 114 HG2 GLN 114 16.395 14.286 -4.709 878 HG3 GLN 114 HG3 GLN 114 14.661 14.289 -5.008 879 HE21 GLN 114 HE21 GLN 114 13.564 13.228 -3.365 880 HE22 GLN 114 HE22 GLN 114 14.136 11.872 -2.520 881 H VAL 115 H VAL 115 12.884 13.024 -8.765 882 HA VAL 115 HA VAL 115 14.109 11.245 -10.710 883 HB VAL 115 HB VAL 115 12.167 11.854 -12.145 884 HG11 VAL 115 HG11 VAL 115 11.625 9.980 -10.899 885 HG12 VAL 115 HG12 VAL 115 10.398 11.073 -10.271 886 HG13 VAL 115 HG13 VAL 115 11.861 10.779 -9.350 887 HG21 VAL 115 HG21 VAL 115 11.973 14.215 -11.165 888 HG22 VAL 115 HG22 VAL 115 11.194 13.468 -9.769 889 HG23 VAL 115 HG23 VAL 115 10.451 13.345 -11.361 890 H ALA 116 H ALA 116 15.238 11.789 -12.470 891 HA ALA 116 HA ALA 116 16.534 14.314 -12.537 892 HB1 ALA 116 HB1 ALA 116 17.825 12.550 -13.372 893 HB2 ALA 116 HB2 ALA 116 17.332 13.411 -14.830 894 HB3 ALA 116 HB3 ALA 116 16.506 11.926 -14.361 895 H ALA 117 H ALA 117 16.254 16.055 -13.867 896 HA ALA 117 HA ALA 117 13.711 16.162 -15.348 897 HB1 ALA 117 HB1 ALA 117 15.382 18.571 -14.712 898 HB2 ALA 117 HB2 ALA 117 14.380 17.832 -13.463 899 HB3 ALA 117 HB3 ALA 117 13.637 18.448 -14.939
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