NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568896 | 2md7 | 19472 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 10.307 -8.680 6.192 2 H2 GLY 1 HT2 GLY 1 9.548 -9.888 5.285 3 H3 GLY 1 HT3 GLY 1 11.185 -10.032 5.681 4 HA2 GLY 1 HA1 GLY 1 10.623 -10.185 8.034 5 HA3 GLY 1 HA2 GLY 1 8.924 -10.065 7.601 6 H ALA 2 HN ALA 2 9.644 -12.211 9.045 7 HA ALA 2 HA ALA 2 10.508 -14.462 7.579 8 HB1 ALA 2 HB1 ALA 2 8.768 -14.386 10.045 9 HB2 ALA 2 HB2 ALA 2 10.530 -14.375 10.033 10 HB3 ALA 2 HB3 ALA 2 9.653 -15.787 9.440 11 H MET 3 HN MET 3 7.276 -13.268 8.373 12 HA MET 3 HA MET 3 6.214 -14.936 6.192 13 HB2 MET 3 HB2 MET 3 5.602 -15.772 8.487 14 HB3 MET 3 HB1 MET 3 4.755 -14.257 8.754 15 HG2 MET 3 HG2 MET 3 3.283 -14.771 6.846 16 HG3 MET 3 HG1 MET 3 4.108 -16.316 6.653 17 HE1 MET 3 HE1 MET 3 1.669 -17.437 6.747 18 HE2 MET 3 HE2 MET 3 0.920 -15.867 7.047 19 HE3 MET 3 HE3 MET 3 0.558 -17.232 8.101 20 H GLY 4 HN GLY 4 7.184 -12.170 6.303 21 HA2 GLY 4 HA2 GLY 4 4.761 -10.872 5.275 22 HA3 GLY 4 HA1 GLY 4 5.721 -10.033 6.487 23 H MET 5 HN MET 5 5.101 -9.512 3.564 24 HA MET 5 HA MET 5 7.884 -9.285 2.636 25 HB2 MET 5 HB2 MET 5 5.362 -9.716 1.034 26 HB3 MET 5 HB1 MET 5 6.887 -9.225 0.312 27 HG2 MET 5 HG2 MET 5 6.414 -11.764 1.857 28 HG3 MET 5 HG1 MET 5 6.509 -11.625 0.103 29 HE1 MET 5 HE1 MET 5 8.703 -10.932 -1.205 30 HE2 MET 5 HE2 MET 5 10.248 -10.586 -0.430 31 HE3 MET 5 HE3 MET 5 8.891 -9.480 -0.222 32 H ARG 6 HN ARG 6 8.263 -7.257 3.451 33 HA ARG 6 HA ARG 6 6.588 -5.087 2.396 34 HB2 ARG 6 HB2 ARG 6 8.664 -5.060 4.595 35 HB3 ARG 6 HB1 ARG 6 7.817 -3.637 4.009 36 HG2 ARG 6 HG2 ARG 6 5.688 -4.620 4.728 37 HG3 ARG 6 HG1 ARG 6 6.560 -6.026 5.346 38 HD2 ARG 6 HD2 ARG 6 7.816 -4.546 6.863 39 HD3 ARG 6 HD1 ARG 6 6.891 -3.172 6.265 40 HE ARG 6 HE ARG 6 5.172 -5.207 7.242 41 HH11 ARG 6 HH11 ARG 6 7.326 -2.659 8.279 42 HH12 ARG 6 HH12 ARG 6 6.505 -2.399 9.783 43 HH21 ARG 6 HH21 ARG 6 4.078 -4.865 9.225 44 HH22 ARG 6 HH22 ARG 6 4.662 -3.659 10.325 45 H ASN 7 HN ASN 7 7.460 -5.348 0.287 46 HA ASN 7 HA ASN 7 10.268 -4.938 -0.183 47 HB2 ASN 7 HB2 ASN 7 9.553 -4.857 -2.604 48 HB3 ASN 7 HB1 ASN 7 9.167 -6.347 -1.756 49 HD21 ASN 7 HD21 ASN 7 7.985 -4.983 -4.158 50 HD22 ASN 7 HD22 ASN 7 6.296 -4.892 -3.820 51 H LEU 8 HN LEU 8 9.970 -2.932 1.214 52 HA LEU 8 HA LEU 8 8.912 -0.648 -0.233 53 HB2 LEU 8 HB2 LEU 8 9.482 0.545 1.967 54 HB3 LEU 8 HB1 LEU 8 8.142 -0.579 1.940 55 HG LEU 8 HG LEU 8 9.663 -2.309 2.934 56 HD11 LEU 8 HD11 LEU 8 11.510 0.031 3.372 57 HD12 LEU 8 HD12 LEU 8 11.800 -1.308 2.262 58 HD13 LEU 8 HD13 LEU 8 11.715 -1.604 3.999 59 HD21 LEU 8 HD21 LEU 8 9.231 0.229 4.495 60 HD22 LEU 8 HD22 LEU 8 9.551 -1.361 5.186 61 HD23 LEU 8 HD23 LEU 8 8.068 -1.078 4.277 62 H ASP 9 HN ASP 9 11.788 -2.185 -0.180 63 HA ASP 9 HA ASP 9 13.512 0.113 -0.017 64 HB2 ASP 9 HB2 ASP 9 14.372 -2.105 0.583 65 HB3 ASP 9 HB1 ASP 9 14.083 -2.671 -1.056 66 H GLU 10 HN GLU 10 11.903 -1.731 -2.494 67 HA GLU 10 HA GLU 10 12.968 -0.049 -4.621 68 HB2 GLU 10 HB2 GLU 10 11.040 -2.371 -4.609 69 HB3 GLU 10 HB1 GLU 10 11.422 -1.450 -6.053 70 HG2 GLU 10 HG2 GLU 10 13.445 -2.910 -4.386 71 HG3 GLU 10 HG1 GLU 10 12.694 -3.554 -5.847 72 H CYS 11 HN CYS 11 10.925 0.566 -2.329 73 HA CYS 11 HA CYS 11 8.777 1.685 -3.979 74 HB2 CYS 11 HB2 CYS 11 8.230 0.145 -2.087 75 HB3 CYS 11 HB1 CYS 11 8.898 1.336 -0.986 76 H GLU 12 HN GLU 12 9.706 3.546 -4.700 77 HA GLU 12 HA GLU 12 11.356 5.309 -3.369 78 HB2 GLU 12 HB2 GLU 12 9.239 6.231 -5.296 79 HB3 GLU 12 HB1 GLU 12 10.850 6.884 -5.060 80 HG2 GLU 12 HG2 GLU 12 10.182 4.230 -6.314 81 HG3 GLU 12 HG1 GLU 12 10.672 5.691 -7.166 82 H VAL 13 HN VAL 13 7.860 5.093 -3.396 83 HA VAL 13 HA VAL 13 7.421 7.615 -2.168 84 HB VAL 13 HB VAL 13 5.750 6.683 -3.637 85 HG11 VAL 13 HG11 VAL 13 6.083 4.327 -3.209 86 HG12 VAL 13 HG12 VAL 13 4.390 4.764 -3.001 87 HG13 VAL 13 HG13 VAL 13 5.412 4.510 -1.588 88 HG21 VAL 13 HG21 VAL 13 4.718 6.845 -0.815 89 HG22 VAL 13 HG22 VAL 13 3.753 7.016 -2.281 90 HG23 VAL 13 HG23 VAL 13 4.992 8.212 -1.893 91 H CYS 14 HN CYS 14 7.995 4.416 -0.891 92 HA CYS 14 HA CYS 14 6.860 4.908 1.682 93 HB2 CYS 14 HB2 CYS 14 8.452 2.788 0.455 94 HB3 CYS 14 HB1 CYS 14 8.854 3.067 2.145 95 H ARG 15 HN ARG 15 9.951 5.508 0.196 96 HA ARG 15 HA ARG 15 11.327 6.236 2.584 97 HB2 ARG 15 HB2 ARG 15 11.942 7.189 -0.207 98 HB3 ARG 15 HB1 ARG 15 13.050 7.094 1.154 99 HG2 ARG 15 HG2 ARG 15 12.905 4.658 1.108 100 HG3 ARG 15 HG1 ARG 15 11.791 4.756 -0.258 101 HD2 ARG 15 HD2 ARG 15 13.686 6.171 -1.338 102 HD3 ARG 15 HD1 ARG 15 14.707 5.383 -0.138 103 HE ARG 15 HE ARG 15 13.973 3.242 -1.119 104 HH11 ARG 15 HH11 ARG 15 13.750 6.191 -2.987 105 HH12 ARG 15 HH12 ARG 15 13.694 5.377 -4.522 106 HH21 ARG 15 HH21 ARG 15 13.922 2.154 -3.150 107 HH22 ARG 15 HH22 ARG 15 13.765 3.092 -4.609 108 H ASP 16 HN ASP 16 9.323 7.869 0.284 109 HA ASP 16 HA ASP 16 9.796 10.527 1.166 110 HB2 ASP 16 HB2 ASP 16 8.836 9.977 -1.043 111 HB3 ASP 16 HB1 ASP 16 7.392 9.354 -0.258 112 H GLY 17 HN GLY 17 8.265 7.933 2.612 113 HA2 GLY 17 HA2 GLY 17 7.282 7.923 4.738 114 HA3 GLY 17 HA1 GLY 17 7.039 9.661 4.610 115 H GLY 18 HN GLY 18 6.082 7.613 1.971 116 HA2 GLY 18 HA2 GLY 18 3.405 8.532 2.079 117 HA3 GLY 18 HA1 GLY 18 4.027 7.262 1.039 118 H GLU 19 HN GLU 19 1.560 7.561 2.700 119 HA GLU 19 HA GLU 19 1.840 5.433 4.655 120 HB2 GLU 19 HB2 GLU 19 -0.292 7.414 3.974 121 HB3 GLU 19 HB1 GLU 19 -0.732 5.954 4.853 122 HG2 GLU 19 HG2 GLU 19 1.364 7.937 5.729 123 HG3 GLU 19 HG1 GLU 19 -0.294 7.882 6.328 124 H LEU 20 HN LEU 20 0.686 3.538 4.626 125 HA LEU 20 HA LEU 20 -0.090 2.563 1.991 126 HB2 LEU 20 HB2 LEU 20 0.542 1.283 4.621 127 HB3 LEU 20 HB1 LEU 20 -0.413 0.405 3.443 128 HG LEU 20 HG LEU 20 2.313 1.528 2.803 129 HD11 LEU 20 HD11 LEU 20 1.572 -1.221 3.805 130 HD12 LEU 20 HD12 LEU 20 2.543 -0.023 4.662 131 HD13 LEU 20 HD13 LEU 20 3.150 -0.754 3.177 132 HD21 LEU 20 HD21 LEU 20 2.228 -0.164 1.020 133 HD22 LEU 20 HD22 LEU 20 0.910 0.997 0.876 134 HD23 LEU 20 HD23 LEU 20 0.600 -0.612 1.527 135 H PHE 21 HN PHE 21 -2.151 2.084 1.441 136 HA PHE 21 HA PHE 21 -4.186 2.342 3.551 137 HB2 PHE 21 HB2 PHE 21 -4.418 2.998 0.597 138 HB3 PHE 21 HB1 PHE 21 -5.755 3.057 1.748 139 HD1 PHE 21 HD1 PHE 21 -5.684 4.706 3.630 140 HD2 PHE 21 HD2 PHE 21 -2.860 4.787 0.434 141 HE1 PHE 21 HE1 PHE 21 -5.056 7.000 4.241 142 HE2 PHE 21 HE2 PHE 21 -2.238 7.081 1.049 143 HZ PHE 21 HZ PHE 21 -3.331 8.192 2.952 144 H CYS 22 HN CYS 22 -2.779 0.018 3.074 145 HA CYS 22 HA CYS 22 -4.936 -1.750 2.189 146 HB2 CYS 22 HB2 CYS 22 -2.050 -1.824 1.359 147 HB3 CYS 22 HB1 CYS 22 -3.000 -3.307 1.416 148 H CYS 23 HN CYS 23 -4.938 -3.800 3.166 149 HA CYS 23 HA CYS 23 -3.970 -3.807 5.877 150 HB2 CYS 23 HB2 CYS 23 -5.273 -5.802 6.143 151 HB3 CYS 23 HB1 CYS 23 -6.218 -4.721 5.122 152 H ASP 24 HN ASP 24 -2.874 -5.931 6.659 153 HA ASP 24 HA ASP 24 -0.325 -6.096 5.629 154 HB2 ASP 24 HB2 ASP 24 -1.930 -8.051 7.253 155 HB3 ASP 24 HB1 ASP 24 -0.298 -8.443 6.732 156 H THR 25 HN THR 25 -3.034 -8.280 4.966 157 HA THR 25 HA THR 25 -1.651 -10.128 3.414 158 HB THR 25 HB THR 25 -4.556 -9.359 3.115 159 HG1 THR 25 HG1 THR 25 -3.246 -11.129 4.931 160 HG21 THR 25 HG21 THR 25 -4.854 -11.677 2.406 161 HG22 THR 25 HG22 THR 25 -3.123 -11.963 2.585 162 HG23 THR 25 HG23 THR 25 -3.708 -10.847 1.352 163 H CYS 26 HN CYS 26 -3.482 -7.252 2.342 164 HA CYS 26 HA CYS 26 -2.894 -7.773 -0.412 165 HB2 CYS 26 HB2 CYS 26 -3.963 -5.259 0.866 166 HB3 CYS 26 HB1 CYS 26 -3.929 -5.590 -0.857 167 H SER 27 HN SER 27 -1.418 -5.773 2.102 168 HA SER 27 HA SER 27 0.104 -4.137 0.369 169 HB2 SER 27 HB2 SER 27 -0.271 -3.509 2.699 170 HB3 SER 27 HB1 SER 27 0.603 -4.936 3.250 171 HG SER 27 HG SER 27 2.249 -3.632 3.229 172 H ARG 28 HN ARG 28 0.686 -7.280 1.855 173 HA ARG 28 HA ARG 28 3.430 -7.431 1.157 174 HB2 ARG 28 HB2 ARG 28 1.439 -9.610 1.805 175 HB3 ARG 28 HB1 ARG 28 3.181 -9.842 1.697 176 HG2 ARG 28 HG2 ARG 28 3.555 -8.407 3.565 177 HG3 ARG 28 HG1 ARG 28 1.862 -7.924 3.600 178 HD2 ARG 28 HD2 ARG 28 1.291 -10.326 4.052 179 HD3 ARG 28 HD1 ARG 28 3.018 -10.629 4.241 180 HE ARG 28 HE ARG 28 2.372 -8.494 5.896 181 HH11 ARG 28 HH11 ARG 28 1.629 -11.908 5.629 182 HH12 ARG 28 HH12 ARG 28 1.301 -12.094 7.319 183 HH21 ARG 28 HH21 ARG 28 1.907 -8.734 8.113 184 HH22 ARG 28 HH22 ARG 28 1.467 -10.291 8.734 185 H VAL 29 HN VAL 29 0.553 -7.857 -0.644 186 HA VAL 29 HA VAL 29 1.955 -9.420 -2.686 187 HB VAL 29 HB VAL 29 -1.001 -8.846 -2.475 188 HG11 VAL 29 HG11 VAL 29 0.518 -10.771 -4.232 189 HG12 VAL 29 HG12 VAL 29 -0.269 -9.287 -4.764 190 HG13 VAL 29 HG13 VAL 29 -1.235 -10.624 -4.143 191 HG21 VAL 29 HG21 VAL 29 -1.195 -11.201 -1.779 192 HG22 VAL 29 HG22 VAL 29 -0.291 -10.224 -0.622 193 HG23 VAL 29 HG23 VAL 29 0.564 -11.307 -1.720 194 H PHE 30 HN PHE 30 0.131 -6.403 -2.242 195 HA PHE 30 HA PHE 30 1.018 -5.586 -4.935 196 HB2 PHE 30 HB2 PHE 30 -1.624 -4.869 -3.640 197 HB3 PHE 30 HB1 PHE 30 -1.078 -4.353 -5.232 198 HD1 PHE 30 HD1 PHE 30 -0.512 -6.338 -6.894 199 HD2 PHE 30 HD2 PHE 30 -3.030 -6.655 -3.472 200 HE1 PHE 30 HE1 PHE 30 -1.605 -8.305 -7.882 201 HE2 PHE 30 HE2 PHE 30 -4.120 -8.626 -4.452 202 HZ PHE 30 HZ PHE 30 -3.409 -9.455 -6.661 203 H HIS 31 HN HIS 31 2.464 -5.044 -2.612 204 HA HIS 31 HA HIS 31 1.977 -2.776 -1.167 205 HB2 HIS 31 HB2 HIS 31 3.894 -4.282 -0.830 206 HB3 HIS 31 HB1 HIS 31 4.641 -3.655 -2.292 207 HD1 HIS 31 HD1 HIS 31 3.600 -2.405 1.164 208 HD2 HIS 31 HD2 HIS 31 6.296 -1.573 -1.886 209 HE1 HIS 31 HE1 HIS 31 5.200 -0.648 2.076 210 H GLU 32 HN GLU 32 3.406 -2.938 -4.392 211 HA GLU 32 HA GLU 32 4.148 -0.196 -4.502 212 HB2 GLU 32 HB2 GLU 32 3.735 -2.215 -6.715 213 HB3 GLU 32 HB1 GLU 32 4.514 -0.652 -6.909 214 HG2 GLU 32 HG2 GLU 32 6.358 -1.292 -5.589 215 HG3 GLU 32 HG1 GLU 32 5.528 -2.726 -4.987 216 H ASP 33 HN ASP 33 1.330 -2.010 -5.544 217 HA ASP 33 HA ASP 33 0.137 0.219 -6.931 218 HB2 ASP 33 HB2 ASP 33 -0.203 -2.279 -7.445 219 HB3 ASP 33 HB1 ASP 33 -1.272 -2.300 -6.048 220 H CYS 34 HN CYS 34 0.123 -1.118 -3.745 221 HA CYS 34 HA CYS 34 -2.348 -0.004 -2.872 222 HB2 CYS 34 HB2 CYS 34 -0.035 -1.366 -1.555 223 HB3 CYS 34 HB1 CYS 34 -1.205 -0.508 -0.551 224 H HIS 35 HN HIS 35 0.632 1.434 -3.462 225 HA HIS 35 HA HIS 35 0.193 3.578 -1.528 226 HB2 HIS 35 HB2 HIS 35 2.400 2.996 -3.498 227 HB3 HIS 35 HB1 HIS 35 2.295 4.530 -2.633 228 HD1 HIS 35 HD1 HIS 35 2.790 4.461 -0.046 229 HD2 HIS 35 HD2 HIS 35 3.170 0.812 -1.996 230 HE1 HIS 35 HE1 HIS 35 4.013 2.927 1.547 231 H ILE 36 HN ILE 36 -0.952 2.763 -4.502 232 HA ILE 36 HA ILE 36 -1.245 5.570 -5.328 233 HB ILE 36 HB ILE 36 -1.077 3.154 -7.131 234 HG12 ILE 36 HG12 ILE 36 0.918 5.391 -6.702 235 HG13 ILE 36 HG11 ILE 36 1.089 3.749 -6.092 236 HG21 ILE 36 HG21 ILE 36 -1.267 6.091 -7.793 237 HG22 ILE 36 HG22 ILE 36 -2.528 4.882 -8.035 238 HG23 ILE 36 HG23 ILE 36 -1.029 4.788 -8.960 239 HD11 ILE 36 HD11 ILE 36 0.977 4.546 -8.992 240 HD12 ILE 36 HD12 ILE 36 1.170 2.904 -8.375 241 HD13 ILE 36 HD13 ILE 36 2.426 4.109 -8.089 242 HA PRO 37 HA PRO 37 -2.353 6.904 -5.305 243 HB2 PRO 37 HB2 PRO 37 -4.643 8.413 -5.254 244 HB3 PRO 37 HB1 PRO 37 -3.832 7.911 -6.746 245 HG2 PRO 37 HG2 PRO 37 -6.408 7.090 -5.749 246 HG3 PRO 37 HG1 PRO 37 -5.618 6.622 -7.264 247 HD2 PRO 37 HD2 PRO 37 -5.752 5.175 -4.678 248 HD3 PRO 37 HD1 PRO 37 -5.503 4.537 -6.319 249 HA PRO 38 HA PRO 38 -3.129 7.349 -0.886 250 HB2 PRO 38 HB2 PRO 38 -1.809 9.942 -0.975 251 HB3 PRO 38 HB1 PRO 38 -1.258 8.450 -0.211 252 HG2 PRO 38 HG2 PRO 38 -0.064 9.530 -2.410 253 HG3 PRO 38 HG1 PRO 38 -0.064 7.791 -2.056 254 HD2 PRO 38 HD2 PRO 38 -1.774 9.336 -3.977 255 HD3 PRO 38 HD1 PRO 38 -1.041 7.725 -4.159 256 H VAL 39 HN VAL 39 -4.936 8.126 0.050 257 HA VAL 39 HA VAL 39 -6.498 10.078 -1.352 258 HB VAL 39 HB VAL 39 -7.626 8.175 -0.356 259 HG11 VAL 39 HG11 VAL 39 -7.923 8.031 2.096 260 HG12 VAL 39 HG12 VAL 39 -6.697 9.286 2.280 261 HG13 VAL 39 HG13 VAL 39 -6.269 7.733 1.565 262 HG21 VAL 39 HG21 VAL 39 -8.400 10.786 0.927 263 HG22 VAL 39 HG22 VAL 39 -9.436 9.366 0.795 264 HG23 VAL 39 HG23 VAL 39 -8.902 10.205 -0.660 265 H GLU 40 HN GLU 40 -6.503 12.193 -1.034 266 HA GLU 40 HA GLU 40 -5.130 13.223 1.344 267 HB2 GLU 40 HB2 GLU 40 -4.231 13.845 -0.910 268 HB3 GLU 40 HB1 GLU 40 -5.738 14.696 -1.222 269 HG2 GLU 40 HG2 GLU 40 -4.002 16.229 -0.513 270 HG3 GLU 40 HG1 GLU 40 -5.311 16.167 0.665 271 H ALA 41 HN ALA 41 -7.330 12.544 2.245 272 HA ALA 41 HA ALA 41 -8.762 14.947 2.826 273 HB1 ALA 41 HB1 ALA 41 -10.229 12.732 1.395 274 HB2 ALA 41 HB2 ALA 41 -9.888 14.334 0.745 275 HB3 ALA 41 HB3 ALA 41 -10.971 14.155 2.123 276 H GLU 42 HN GLU 42 -9.856 11.600 2.830 277 HA GLU 42 HA GLU 42 -9.699 11.593 5.758 278 HB2 GLU 42 HB2 GLU 42 -11.290 9.797 3.918 279 HB3 GLU 42 HB1 GLU 42 -11.306 9.742 5.675 280 HG2 GLU 42 HG2 GLU 42 -12.233 12.028 3.960 281 HG3 GLU 42 HG1 GLU 42 -13.261 10.887 4.827 282 H ARG 43 HN ARG 43 -7.443 11.165 5.706 283 HA ARG 43 HA ARG 43 -6.361 8.897 4.359 284 HB2 ARG 43 HB2 ARG 43 -5.253 10.525 6.648 285 HB3 ARG 43 HB1 ARG 43 -4.356 9.308 5.756 286 HG2 ARG 43 HG2 ARG 43 -4.668 10.656 3.699 287 HG3 ARG 43 HG1 ARG 43 -5.434 11.909 4.684 288 HD2 ARG 43 HD2 ARG 43 -3.399 12.108 6.018 289 HD3 ARG 43 HD1 ARG 43 -2.641 10.838 5.063 290 HE ARG 43 HE ARG 43 -3.537 13.099 3.507 291 HH11 ARG 43 HH11 ARG 43 -0.920 11.745 5.401 292 HH12 ARG 43 HH12 ARG 43 0.306 12.704 4.634 293 HH21 ARG 43 HH21 ARG 43 -1.913 14.367 2.481 294 HH22 ARG 43 HH22 ARG 43 -0.252 14.176 2.970 295 H THR 44 HN THR 44 -7.550 7.118 4.928 296 HA THR 44 HA THR 44 -7.511 6.335 7.755 297 HB THR 44 HB THR 44 -9.302 4.707 7.058 298 HG1 THR 44 HG1 THR 44 -8.779 4.788 4.776 299 HG21 THR 44 HG21 THR 44 -9.872 6.822 8.140 300 HG22 THR 44 HG22 THR 44 -11.075 6.412 6.916 301 HG23 THR 44 HG23 THR 44 -9.853 7.639 6.578 302 HA PRO 45 HA PRO 45 -4.302 3.629 5.893 303 HB2 PRO 45 HB2 PRO 45 -3.396 3.408 8.678 304 HB3 PRO 45 HB1 PRO 45 -2.513 3.963 7.251 305 HG2 PRO 45 HG2 PRO 45 -3.282 5.661 9.192 306 HG3 PRO 45 HG1 PRO 45 -3.236 6.142 7.485 307 HD2 PRO 45 HD2 PRO 45 -5.592 5.348 9.168 308 HD3 PRO 45 HD1 PRO 45 -5.450 6.662 7.977 309 H TRP 46 HN TRP 46 -6.629 3.106 8.366 310 HA TRP 46 HA TRP 46 -6.027 0.276 8.612 311 HB2 TRP 46 HB2 TRP 46 -7.998 0.250 10.166 312 HB3 TRP 46 HB1 TRP 46 -6.723 1.364 10.649 313 HD1 TRP 46 HD1 TRP 46 -10.318 1.315 9.323 314 HE1 TRP 46 HE1 TRP 46 -11.360 3.638 9.671 315 HE3 TRP 46 HE3 TRP 46 -6.147 3.849 10.867 316 HZ2 TRP 46 HZ2 TRP 46 -10.524 6.204 10.487 317 HZ3 TRP 46 HZ3 TRP 46 -6.359 6.241 11.409 318 HH2 TRP 46 HH2 TRP 46 -8.497 7.391 11.220 319 H ASN 47 HN ASN 47 -7.840 2.279 6.614 320 HA ASN 47 HA ASN 47 -9.813 0.243 5.925 321 HB2 ASN 47 HB2 ASN 47 -10.514 2.632 5.991 322 HB3 ASN 47 HB1 ASN 47 -9.360 2.985 4.708 323 HD21 ASN 47 HD21 ASN 47 -12.397 1.471 5.490 324 HD22 ASN 47 HD22 ASN 47 -12.938 1.269 3.856 325 H CYS 48 HN CYS 48 -9.249 -1.311 4.517 326 HA CYS 48 HA CYS 48 -6.924 -0.882 2.837 327 HB2 CYS 48 HB2 CYS 48 -7.217 -3.021 4.092 328 HB3 CYS 48 HB1 CYS 48 -8.645 -3.363 3.121 329 H ILE 49 HN ILE 49 -7.046 -0.198 0.812 330 HA ILE 49 HA ILE 49 -9.607 0.098 -0.454 331 HB ILE 49 HB ILE 49 -8.320 1.067 -2.362 332 HG12 ILE 49 HG12 ILE 49 -5.933 0.755 -0.530 333 HG13 ILE 49 HG11 ILE 49 -6.214 -0.212 -1.973 334 HG21 ILE 49 HG21 ILE 49 -7.813 2.220 0.375 335 HG22 ILE 49 HG22 ILE 49 -9.222 2.498 -0.645 336 HG23 ILE 49 HG23 ILE 49 -7.642 3.101 -1.140 337 HD11 ILE 49 HD11 ILE 49 -6.090 1.816 -3.337 338 HD12 ILE 49 HD12 ILE 49 -4.617 1.560 -2.400 339 HD13 ILE 49 HD13 ILE 49 -5.794 2.768 -1.882 340 H PHE 50 HN PHE 50 -6.980 -2.175 -0.645 341 HA PHE 50 HA PHE 50 -7.800 -3.218 -3.199 342 HB2 PHE 50 HB2 PHE 50 -5.536 -3.605 -1.471 343 HB3 PHE 50 HB1 PHE 50 -6.227 -5.173 -1.897 344 HD1 PHE 50 HD1 PHE 50 -6.423 -5.836 -4.269 345 HD2 PHE 50 HD2 PHE 50 -4.427 -2.259 -3.098 346 HE1 PHE 50 HE1 PHE 50 -5.364 -5.706 -6.481 347 HE2 PHE 50 HE2 PHE 50 -3.370 -2.127 -5.310 348 HZ PHE 50 HZ PHE 50 -3.832 -3.850 -7.003 349 H CYS 51 HN CYS 51 -8.423 -3.975 0.171 350 HA CYS 51 HA CYS 51 -9.915 -6.346 -0.410 351 HB2 CYS 51 HB2 CYS 51 -9.720 -4.550 1.992 352 HB3 CYS 51 HB1 CYS 51 -10.986 -5.767 1.905 353 H ARG 52 HN ARG 52 -10.774 -2.943 0.145 354 HA ARG 52 HA ARG 52 -13.522 -3.192 -0.331 355 HB2 ARG 52 HB2 ARG 52 -12.187 -1.236 0.669 356 HB3 ARG 52 HB1 ARG 52 -11.879 -0.754 -0.988 357 HG2 ARG 52 HG2 ARG 52 -13.693 0.542 -0.237 358 HG3 ARG 52 HG1 ARG 52 -14.369 -0.673 -1.323 359 HD2 ARG 52 HD2 ARG 52 -14.303 -0.977 1.677 360 HD3 ARG 52 HD1 ARG 52 -15.658 -0.268 0.808 361 HE ARG 52 HE ARG 52 -16.009 -2.405 -0.270 362 HH11 ARG 52 HH11 ARG 52 -13.851 -2.411 2.506 363 HH12 ARG 52 HH12 ARG 52 -14.071 -4.100 2.831 364 HH21 ARG 52 HH21 ARG 52 -16.299 -4.617 0.155 365 HH22 ARG 52 HH22 ARG 52 -15.479 -5.356 1.503 366 H MET 53 HN MET 53 -10.899 -3.410 -2.455 367 HA MET 53 HA MET 53 -12.155 -2.450 -4.838 368 HB2 MET 53 HB2 MET 53 -9.726 -2.494 -4.655 369 HB3 MET 53 HB1 MET 53 -9.746 -4.232 -4.420 370 HG2 MET 53 HG2 MET 53 -10.815 -2.996 -6.924 371 HG3 MET 53 HG1 MET 53 -9.092 -3.285 -6.709 372 HE1 MET 53 HE1 MET 53 -8.949 -7.186 -6.355 373 HE2 MET 53 HE2 MET 53 -9.130 -6.055 -5.016 374 HE3 MET 53 HE3 MET 53 -8.033 -5.680 -6.343 375 H LYS 54 HN LYS 54 -11.970 -5.479 -3.149 376 HA LYS 54 HA LYS 54 -13.204 -6.944 -5.339 377 HB2 LYS 54 HB2 LYS 54 -11.347 -7.924 -3.926 378 HB3 LYS 54 HB1 LYS 54 -12.466 -7.929 -2.571 379 HG2 LYS 54 HG2 LYS 54 -13.945 -9.450 -3.815 380 HG3 LYS 54 HG1 LYS 54 -12.784 -9.464 -5.146 381 HD2 LYS 54 HD2 LYS 54 -11.078 -10.377 -3.620 382 HD3 LYS 54 HD1 LYS 54 -12.278 -10.410 -2.325 383 HE2 LYS 54 HE2 LYS 54 -13.637 -11.973 -3.592 384 HE3 LYS 54 HE1 LYS 54 -12.501 -11.902 -4.936 385 HZ1 LYS 54 HZ1 LYS 54 -12.191 -13.874 -3.557 386 HZ2 LYS 54 HZ2 LYS 54 -11.859 -12.902 -2.217 387 HZ3 LYS 54 HZ3 LYS 54 -10.814 -12.892 -3.549 388 H GLU 55 HN GLU 55 -14.946 -5.178 -4.905 389 HA GLU 55 HA GLU 55 -16.648 -5.642 -2.634 390 HB2 GLU 55 HB2 GLU 55 -16.208 -3.417 -3.882 391 HB3 GLU 55 HB1 GLU 55 -17.407 -4.000 -5.029 392 HG2 GLU 55 HG2 GLU 55 -18.521 -2.594 -3.482 393 HG3 GLU 55 HG1 GLU 55 -18.992 -4.253 -3.113 394 H SER 56 HN SER 56 -16.530 -6.561 -5.988 395 HA SER 56 HA SER 56 -19.079 -7.992 -5.664 396 HB2 SER 56 HB2 SER 56 -19.028 -6.259 -7.475 397 HB3 SER 56 HB1 SER 56 -17.743 -7.175 -8.259 398 HG SER 56 HG SER 56 -19.926 -7.592 -9.031 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 13.449 -6.083 -5.760 2 H2 GLY 1 HT2 GLY 1 14.336 -5.569 -4.417 3 H3 GLY 1 HT3 GLY 1 12.752 -5.025 -4.641 4 HA2 GLY 1 HA1 GLY 1 12.785 -6.708 -2.936 5 HA3 GLY 1 HA2 GLY 1 11.910 -7.274 -4.351 6 H ALA 2 HN ALA 2 12.301 -9.437 -3.656 7 HA ALA 2 HA ALA 2 13.400 -11.428 -3.567 8 HB1 ALA 2 HB1 ALA 2 15.049 -10.178 -5.763 9 HB2 ALA 2 HB2 ALA 2 13.494 -10.981 -5.978 10 HB3 ALA 2 HB3 ALA 2 14.894 -11.902 -5.428 11 H MET 3 HN MET 3 14.235 -9.804 -1.547 12 HA MET 3 HA MET 3 16.769 -10.875 -0.866 13 HB2 MET 3 HB2 MET 3 17.505 -9.087 -2.432 14 HB3 MET 3 HB1 MET 3 16.704 -7.897 -1.419 15 HG2 MET 3 HG2 MET 3 18.208 -8.494 0.434 16 HG3 MET 3 HG1 MET 3 19.033 -9.635 -0.628 17 HE1 MET 3 HE1 MET 3 21.352 -8.413 -0.034 18 HE2 MET 3 HE2 MET 3 20.478 -7.287 1.002 19 HE3 MET 3 HE3 MET 3 21.603 -6.678 -0.210 20 H GLY 4 HN GLY 4 15.213 -11.482 0.795 21 HA2 GLY 4 HA2 GLY 4 14.873 -11.161 3.129 22 HA3 GLY 4 HA1 GLY 4 15.017 -9.425 2.880 23 H MET 5 HN MET 5 12.994 -9.767 4.328 24 HA MET 5 HA MET 5 10.608 -10.405 2.780 25 HB2 MET 5 HB2 MET 5 11.023 -9.732 5.696 26 HB3 MET 5 HB1 MET 5 9.430 -9.918 4.979 27 HG2 MET 5 HG2 MET 5 11.563 -12.043 5.067 28 HG3 MET 5 HG1 MET 5 10.168 -11.940 6.139 29 HE1 MET 5 HE1 MET 5 7.668 -12.197 5.330 30 HE2 MET 5 HE2 MET 5 7.193 -12.546 3.669 31 HE3 MET 5 HE3 MET 5 7.881 -10.974 4.077 32 H ARG 6 HN ARG 6 11.426 -8.456 1.456 33 HA ARG 6 HA ARG 6 9.827 -6.163 2.226 34 HB2 ARG 6 HB2 ARG 6 11.773 -4.631 1.593 35 HB3 ARG 6 HB1 ARG 6 11.852 -5.419 3.162 36 HG2 ARG 6 HG2 ARG 6 13.406 -7.047 2.326 37 HG3 ARG 6 HG1 ARG 6 13.242 -6.414 0.690 38 HD2 ARG 6 HD2 ARG 6 14.273 -4.340 1.330 39 HD3 ARG 6 HD1 ARG 6 14.285 -4.824 3.027 40 HE ARG 6 HE ARG 6 15.749 -6.758 2.032 41 HH11 ARG 6 HH11 ARG 6 15.824 -3.381 1.111 42 HH12 ARG 6 HH12 ARG 6 17.523 -3.386 0.774 43 HH21 ARG 6 HH21 ARG 6 17.981 -6.759 1.579 44 HH22 ARG 6 HH22 ARG 6 18.742 -5.303 1.020 45 H ASN 7 HN ASN 7 8.875 -5.234 0.535 46 HA ASN 7 HA ASN 7 9.915 -5.807 -2.162 47 HB2 ASN 7 HB2 ASN 7 7.814 -7.091 -1.601 48 HB3 ASN 7 HB1 ASN 7 6.987 -5.547 -1.429 49 HD21 ASN 7 HD21 ASN 7 9.442 -6.306 -3.824 50 HD22 ASN 7 HD22 ASN 7 8.409 -6.159 -5.198 51 H LEU 8 HN LEU 8 10.117 -3.590 -0.147 52 HA LEU 8 HA LEU 8 8.677 -1.433 -1.477 53 HB2 LEU 8 HB2 LEU 8 9.368 -0.088 0.522 54 HB3 LEU 8 HB1 LEU 8 8.298 -1.435 0.852 55 HG LEU 8 HG LEU 8 10.563 -2.686 1.381 56 HD11 LEU 8 HD11 LEU 8 12.219 -1.240 2.400 57 HD12 LEU 8 HD12 LEU 8 11.279 0.185 1.954 58 HD13 LEU 8 HD13 LEU 8 12.006 -0.821 0.700 59 HD21 LEU 8 HD21 LEU 8 8.737 -2.361 2.944 60 HD22 LEU 8 HD22 LEU 8 9.258 -0.702 3.235 61 HD23 LEU 8 HD23 LEU 8 10.286 -2.048 3.728 62 H ASP 9 HN ASP 9 11.402 -2.826 -2.154 63 HA ASP 9 HA ASP 9 13.311 -0.718 -2.009 64 HB2 ASP 9 HB2 ASP 9 13.269 -3.236 -3.682 65 HB3 ASP 9 HB1 ASP 9 14.648 -2.147 -3.554 66 H GLU 10 HN GLU 10 10.977 -1.769 -4.370 67 HA GLU 10 HA GLU 10 11.853 0.214 -6.311 68 HB2 GLU 10 HB2 GLU 10 9.491 -1.677 -6.349 69 HB3 GLU 10 HB1 GLU 10 9.963 -0.623 -7.673 70 HG2 GLU 10 HG2 GLU 10 12.128 -1.815 -7.791 71 HG3 GLU 10 HG1 GLU 10 11.538 -2.925 -6.555 72 H CYS 11 HN CYS 11 10.271 0.383 -3.526 73 HA CYS 11 HA CYS 11 8.173 2.215 -4.441 74 HB2 CYS 11 HB2 CYS 11 7.506 0.274 -3.053 75 HB3 CYS 11 HB1 CYS 11 8.557 0.849 -1.770 76 H GLU 12 HN GLU 12 9.523 4.044 -4.743 77 HA GLU 12 HA GLU 12 11.210 5.060 -2.710 78 HB2 GLU 12 HB2 GLU 12 9.919 6.439 -5.056 79 HB3 GLU 12 HB1 GLU 12 11.058 7.220 -3.974 80 HG2 GLU 12 HG2 GLU 12 12.695 5.391 -4.588 81 HG3 GLU 12 HG1 GLU 12 11.571 4.954 -5.874 82 H VAL 13 HN VAL 13 7.812 5.307 -3.345 83 HA VAL 13 HA VAL 13 7.307 7.653 -1.908 84 HB VAL 13 HB VAL 13 5.689 6.717 -3.486 85 HG11 VAL 13 HG11 VAL 13 5.963 4.353 -2.962 86 HG12 VAL 13 HG12 VAL 13 4.274 4.850 -2.906 87 HG13 VAL 13 HG13 VAL 13 5.171 4.612 -1.407 88 HG21 VAL 13 HG21 VAL 13 4.590 6.960 -0.699 89 HG22 VAL 13 HG22 VAL 13 3.661 7.115 -2.189 90 HG23 VAL 13 HG23 VAL 13 4.915 8.296 -1.801 91 H CYS 14 HN CYS 14 7.700 4.328 -0.844 92 HA CYS 14 HA CYS 14 6.797 4.679 1.808 93 HB2 CYS 14 HB2 CYS 14 8.401 2.700 0.365 94 HB3 CYS 14 HB1 CYS 14 8.857 2.877 2.055 95 H ARG 15 HN ARG 15 9.865 5.267 0.248 96 HA ARG 15 HA ARG 15 11.298 5.930 2.627 97 HB2 ARG 15 HB2 ARG 15 11.888 6.625 -0.253 98 HB3 ARG 15 HB1 ARG 15 13.021 6.767 1.085 99 HG2 ARG 15 HG2 ARG 15 13.091 4.409 1.382 100 HG3 ARG 15 HG1 ARG 15 11.752 4.171 0.259 101 HD2 ARG 15 HD2 ARG 15 13.817 3.612 -0.841 102 HD3 ARG 15 HD1 ARG 15 13.164 5.086 -1.550 103 HE ARG 15 HE ARG 15 14.927 5.873 0.443 104 HH11 ARG 15 HH11 ARG 15 15.051 4.098 -2.568 105 HH12 ARG 15 HH12 ARG 15 16.687 4.552 -2.919 106 HH21 ARG 15 HH21 ARG 15 17.092 6.485 -0.021 107 HH22 ARG 15 HH22 ARG 15 17.846 5.915 -1.479 108 H ASP 16 HN ASP 16 9.484 7.670 0.236 109 HA ASP 16 HA ASP 16 10.029 10.289 1.155 110 HB2 ASP 16 HB2 ASP 16 9.123 9.744 -1.084 111 HB3 ASP 16 HB1 ASP 16 7.615 9.239 -0.340 112 H GLY 17 HN GLY 17 8.222 7.784 2.527 113 HA2 GLY 17 HA2 GLY 17 7.388 7.944 4.749 114 HA3 GLY 17 HA1 GLY 17 7.120 9.664 4.494 115 H GLY 18 HN GLY 18 6.098 7.634 1.952 116 HA2 GLY 18 HA2 GLY 18 3.400 8.446 2.186 117 HA3 GLY 18 HA1 GLY 18 4.013 7.217 1.097 118 H GLU 19 HN GLU 19 1.583 7.383 2.736 119 HA GLU 19 HA GLU 19 1.905 5.268 4.696 120 HB2 GLU 19 HB2 GLU 19 -0.358 7.085 3.924 121 HB3 GLU 19 HB1 GLU 19 -0.642 5.675 4.937 122 HG2 GLU 19 HG2 GLU 19 1.268 7.924 5.555 123 HG3 GLU 19 HG1 GLU 19 -0.339 7.724 6.253 124 H LEU 20 HN LEU 20 0.351 3.493 4.733 125 HA LEU 20 HA LEU 20 -0.009 2.371 2.048 126 HB2 LEU 20 HB2 LEU 20 0.477 1.184 4.746 127 HB3 LEU 20 HB1 LEU 20 -0.345 0.233 3.525 128 HG LEU 20 HG LEU 20 2.335 1.498 3.001 129 HD11 LEU 20 HD11 LEU 20 1.770 -1.246 4.118 130 HD12 LEU 20 HD12 LEU 20 2.556 0.080 4.977 131 HD13 LEU 20 HD13 LEU 20 3.341 -0.653 3.578 132 HD21 LEU 20 HD21 LEU 20 2.465 -0.313 1.333 133 HD22 LEU 20 HD22 LEU 20 1.094 0.758 1.046 134 HD23 LEU 20 HD23 LEU 20 0.840 -0.824 1.779 135 H PHE 21 HN PHE 21 -1.995 1.918 1.312 136 HA PHE 21 HA PHE 21 -4.229 2.199 3.204 137 HB2 PHE 21 HB2 PHE 21 -4.148 2.706 0.212 138 HB3 PHE 21 HB1 PHE 21 -5.599 2.821 1.212 139 HD1 PHE 21 HD1 PHE 21 -5.765 4.578 2.956 140 HD2 PHE 21 HD2 PHE 21 -2.515 4.457 0.197 141 HE1 PHE 21 HE1 PHE 21 -5.175 6.888 3.545 142 HE2 PHE 21 HE2 PHE 21 -1.926 6.766 0.791 143 HZ PHE 21 HZ PHE 21 -3.252 7.983 2.465 144 H CYS 22 HN CYS 22 -2.850 -0.129 3.104 145 HA CYS 22 HA CYS 22 -4.891 -1.960 2.086 146 HB2 CYS 22 HB2 CYS 22 -2.019 -1.858 1.334 147 HB3 CYS 22 HB1 CYS 22 -2.712 -3.454 1.601 148 H CYS 23 HN CYS 23 -4.788 -4.091 3.077 149 HA CYS 23 HA CYS 23 -4.110 -4.103 5.858 150 HB2 CYS 23 HB2 CYS 23 -4.663 -6.552 4.170 151 HB3 CYS 23 HB1 CYS 23 -4.968 -6.328 5.891 152 H ASP 24 HN ASP 24 -2.594 -5.880 6.754 153 HA ASP 24 HA ASP 24 -0.016 -5.528 5.768 154 HB2 ASP 24 HB2 ASP 24 -0.420 -6.324 8.041 155 HB3 ASP 24 HB1 ASP 24 -1.051 -7.845 7.415 156 H THR 25 HN THR 25 -2.218 -8.272 5.253 157 HA THR 25 HA THR 25 -0.482 -9.757 3.615 158 HB THR 25 HB THR 25 -3.491 -9.782 3.461 159 HG1 THR 25 HG1 THR 25 -1.713 -10.980 5.336 160 HG21 THR 25 HG21 THR 25 -3.171 -12.145 2.878 161 HG22 THR 25 HG22 THR 25 -1.422 -11.930 2.978 162 HG23 THR 25 HG23 THR 25 -2.346 -11.086 1.735 163 H CYS 26 HN CYS 26 -3.062 -7.438 2.811 164 HA CYS 26 HA CYS 26 -2.854 -7.680 0.019 165 HB2 CYS 26 HB2 CYS 26 -3.787 -5.295 1.640 166 HB3 CYS 26 HB1 CYS 26 -4.119 -5.568 -0.069 167 H SER 27 HN SER 27 -1.287 -5.490 2.301 168 HA SER 27 HA SER 27 0.144 -3.969 0.394 169 HB2 SER 27 HB2 SER 27 -0.188 -3.162 2.667 170 HB3 SER 27 HB1 SER 27 0.735 -4.518 3.310 171 HG SER 27 HG SER 27 2.152 -2.859 3.212 172 H ARG 28 HN ARG 28 0.696 -7.080 1.823 173 HA ARG 28 HA ARG 28 3.475 -7.210 1.161 174 HB2 ARG 28 HB2 ARG 28 2.609 -8.520 3.001 175 HB3 ARG 28 HB1 ARG 28 1.466 -9.325 1.941 176 HG2 ARG 28 HG2 ARG 28 3.292 -10.415 0.768 177 HG3 ARG 28 HG1 ARG 28 4.461 -9.585 1.799 178 HD2 ARG 28 HD2 ARG 28 3.643 -10.715 3.743 179 HD3 ARG 28 HD1 ARG 28 2.297 -11.404 2.839 180 HE ARG 28 HE ARG 28 4.479 -12.359 1.539 181 HH11 ARG 28 HH11 ARG 28 3.532 -12.314 4.909 182 HH12 ARG 28 HH12 ARG 28 4.276 -13.838 5.274 183 HH21 ARG 28 HH21 ARG 28 5.451 -14.369 2.007 184 HH22 ARG 28 HH22 ARG 28 5.366 -15.015 3.616 185 H VAL 29 HN VAL 29 0.486 -7.879 -0.465 186 HA VAL 29 HA VAL 29 1.847 -9.381 -2.561 187 HB VAL 29 HB VAL 29 -1.097 -8.750 -2.320 188 HG11 VAL 29 HG11 VAL 29 -0.384 -9.252 -4.607 189 HG12 VAL 29 HG12 VAL 29 -1.386 -10.547 -3.952 190 HG13 VAL 29 HG13 VAL 29 0.362 -10.748 -4.049 191 HG21 VAL 29 HG21 VAL 29 -0.415 -10.107 -0.448 192 HG22 VAL 29 HG22 VAL 29 0.443 -11.212 -1.520 193 HG23 VAL 29 HG23 VAL 29 -1.316 -11.102 -1.590 194 H PHE 30 HN PHE 30 -0.107 -6.417 -2.212 195 HA PHE 30 HA PHE 30 0.730 -5.659 -4.945 196 HB2 PHE 30 HB2 PHE 30 -1.728 -4.661 -3.489 197 HB3 PHE 30 HB1 PHE 30 -1.320 -4.411 -5.183 198 HD1 PHE 30 HD1 PHE 30 -1.132 -6.611 -6.623 199 HD2 PHE 30 HD2 PHE 30 -3.197 -6.311 -2.908 200 HE1 PHE 30 HE1 PHE 30 -2.473 -8.584 -7.209 201 HE2 PHE 30 HE2 PHE 30 -4.532 -8.288 -3.490 202 HZ PHE 30 HZ PHE 30 -4.174 -9.427 -5.641 203 H HIS 31 HN HIS 31 2.448 -5.104 -2.864 204 HA HIS 31 HA HIS 31 2.073 -2.914 -1.269 205 HB2 HIS 31 HB2 HIS 31 4.038 -4.402 -1.188 206 HB3 HIS 31 HB1 HIS 31 4.649 -3.659 -2.661 207 HD1 HIS 31 HD1 HIS 31 3.777 -2.607 0.913 208 HD2 HIS 31 HD2 HIS 31 6.301 -1.570 -2.229 209 HE1 HIS 31 HE1 HIS 31 5.382 -0.868 1.826 210 H GLU 32 HN GLU 32 3.258 -2.848 -4.618 211 HA GLU 32 HA GLU 32 3.943 -0.090 -4.553 212 HB2 GLU 32 HB2 GLU 32 3.454 -1.974 -6.860 213 HB3 GLU 32 HB1 GLU 32 4.042 -0.330 -7.051 214 HG2 GLU 32 HG2 GLU 32 6.055 -0.851 -5.850 215 HG3 GLU 32 HG1 GLU 32 5.449 -2.460 -5.455 216 H ASP 33 HN ASP 33 1.104 -1.871 -5.643 217 HA ASP 33 HA ASP 33 -0.186 0.472 -6.700 218 HB2 ASP 33 HB2 ASP 33 -0.506 -1.993 -7.431 219 HB3 ASP 33 HB1 ASP 33 -1.572 -2.116 -6.036 220 H CYS 34 HN CYS 34 0.009 -1.149 -3.663 221 HA CYS 34 HA CYS 34 -2.432 -0.193 -2.545 222 HB2 CYS 34 HB2 CYS 34 0.025 -1.509 -1.437 223 HB3 CYS 34 HB1 CYS 34 -1.186 -0.839 -0.346 224 H HIS 35 HN HIS 35 0.420 1.396 -3.262 225 HA HIS 35 HA HIS 35 0.034 3.413 -1.175 226 HB2 HIS 35 HB2 HIS 35 2.174 3.016 -3.260 227 HB3 HIS 35 HB1 HIS 35 2.070 4.475 -2.274 228 HD1 HIS 35 HD1 HIS 35 2.752 4.243 0.241 229 HD2 HIS 35 HD2 HIS 35 2.990 0.722 -1.950 230 HE1 HIS 35 HE1 HIS 35 4.098 2.624 1.641 231 H ILE 36 HN ILE 36 -1.054 2.722 -4.253 232 HA ILE 36 HA ILE 36 -1.237 5.551 -5.032 233 HB ILE 36 HB ILE 36 -1.275 3.108 -6.806 234 HG12 ILE 36 HG12 ILE 36 0.897 5.188 -6.456 235 HG13 ILE 36 HG11 ILE 36 0.935 3.570 -5.764 236 HG21 ILE 36 HG21 ILE 36 -1.236 6.039 -7.513 237 HG22 ILE 36 HG22 ILE 36 -2.587 4.929 -7.735 238 HG23 ILE 36 HG23 ILE 36 -1.102 4.707 -8.660 239 HD11 ILE 36 HD11 ILE 36 0.884 4.231 -8.700 240 HD12 ILE 36 HD12 ILE 36 0.926 2.609 -8.008 241 HD13 ILE 36 HD13 ILE 36 2.290 3.705 -7.775 242 HA PRO 37 HA PRO 37 -2.208 6.985 -5.444 243 HB2 PRO 37 HB2 PRO 37 -4.175 8.777 -5.409 244 HB3 PRO 37 HB1 PRO 37 -3.856 7.819 -6.868 245 HG2 PRO 37 HG2 PRO 37 -6.022 7.522 -4.836 246 HG3 PRO 37 HG1 PRO 37 -6.079 7.256 -6.589 247 HD2 PRO 37 HD2 PRO 37 -5.767 5.273 -4.607 248 HD3 PRO 37 HD1 PRO 37 -5.509 5.069 -6.352 249 HA PRO 38 HA PRO 38 -2.224 7.660 -1.005 250 HB2 PRO 38 HB2 PRO 38 -0.960 10.259 -1.622 251 HB3 PRO 38 HB1 PRO 38 -0.359 8.926 -0.630 252 HG2 PRO 38 HG2 PRO 38 0.696 9.457 -3.044 253 HG3 PRO 38 HG1 PRO 38 0.530 7.796 -2.440 254 HD2 PRO 38 HD2 PRO 38 -1.163 9.266 -4.436 255 HD3 PRO 38 HD1 PRO 38 -0.630 7.568 -4.439 256 H VAL 39 HN VAL 39 -3.867 8.440 0.185 257 HA VAL 39 HA VAL 39 -5.647 10.423 -0.898 258 HB VAL 39 HB VAL 39 -5.696 9.225 1.876 259 HG11 VAL 39 HG11 VAL 39 -8.037 9.857 1.879 260 HG12 VAL 39 HG12 VAL 39 -7.887 10.492 0.242 261 HG13 VAL 39 HG13 VAL 39 -7.029 11.269 1.569 262 HG21 VAL 39 HG21 VAL 39 -5.780 7.423 0.267 263 HG22 VAL 39 HG22 VAL 39 -7.034 8.258 -0.647 264 HG23 VAL 39 HG23 VAL 39 -7.380 7.655 0.973 265 H GLU 40 HN GLU 40 -4.561 12.330 -1.023 266 HA GLU 40 HA GLU 40 -2.921 13.261 1.149 267 HB2 GLU 40 HB2 GLU 40 -3.705 14.633 -1.422 268 HB3 GLU 40 HB1 GLU 40 -2.463 15.179 -0.304 269 HG2 GLU 40 HG2 GLU 40 -2.421 12.555 -1.775 270 HG3 GLU 40 HG1 GLU 40 -1.561 14.008 -2.275 271 H ALA 41 HN ALA 41 -4.668 13.231 2.678 272 HA ALA 41 HA ALA 41 -5.593 15.760 3.395 273 HB1 ALA 41 HB1 ALA 41 -7.171 15.543 1.543 274 HB2 ALA 41 HB2 ALA 41 -8.021 15.507 3.088 275 HB3 ALA 41 HB3 ALA 41 -7.744 14.011 2.197 276 H GLU 42 HN GLU 42 -6.194 12.321 3.443 277 HA GLU 42 HA GLU 42 -5.993 12.254 6.318 278 HB2 GLU 42 HB2 GLU 42 -8.117 10.813 6.410 279 HB3 GLU 42 HB1 GLU 42 -8.309 12.557 6.300 280 HG2 GLU 42 HG2 GLU 42 -8.797 12.406 3.953 281 HG3 GLU 42 HG1 GLU 42 -8.469 10.675 3.959 282 H ARG 43 HN ARG 43 -4.075 11.164 5.710 283 HA ARG 43 HA ARG 43 -4.153 8.740 4.194 284 HB2 ARG 43 HB2 ARG 43 -2.010 9.954 5.934 285 HB3 ARG 43 HB1 ARG 43 -1.798 8.475 5.013 286 HG2 ARG 43 HG2 ARG 43 -2.280 9.773 2.946 287 HG3 ARG 43 HG1 ARG 43 -2.292 11.238 3.931 288 HD2 ARG 43 HD2 ARG 43 -0.016 10.912 4.571 289 HD3 ARG 43 HD1 ARG 43 0.017 9.312 3.837 290 HE ARG 43 HE ARG 43 -0.595 11.283 1.886 291 HH11 ARG 43 HH11 ARG 43 2.048 10.090 3.849 292 HH12 ARG 43 HH12 ARG 43 3.266 10.498 2.684 293 HH21 ARG 43 HH21 ARG 43 1.002 11.822 0.347 294 HH22 ARG 43 HH22 ARG 43 2.673 11.460 0.677 295 H THR 44 HN THR 44 -5.849 7.722 5.409 296 HA THR 44 HA THR 44 -5.143 6.740 8.060 297 HB THR 44 HB THR 44 -7.492 5.886 8.071 298 HG1 THR 44 HG1 THR 44 -7.431 5.948 5.589 299 HG21 THR 44 HG21 THR 44 -7.145 8.819 7.431 300 HG22 THR 44 HG22 THR 44 -7.007 8.075 9.024 301 HG23 THR 44 HG23 THR 44 -8.565 8.111 8.199 302 HA PRO 45 HA PRO 45 -3.785 2.949 5.999 303 HB2 PRO 45 HB2 PRO 45 -3.304 1.994 8.734 304 HB3 PRO 45 HB1 PRO 45 -2.159 2.209 7.405 305 HG2 PRO 45 HG2 PRO 45 -2.157 3.825 9.558 306 HG3 PRO 45 HG1 PRO 45 -1.747 4.413 7.937 307 HD2 PRO 45 HD2 PRO 45 -4.311 4.707 9.466 308 HD3 PRO 45 HD1 PRO 45 -3.456 5.897 8.457 309 H TRP 46 HN TRP 46 -6.343 3.446 8.146 310 HA TRP 46 HA TRP 46 -7.195 0.663 8.210 311 HB2 TRP 46 HB2 TRP 46 -8.678 3.093 9.253 312 HB3 TRP 46 HB1 TRP 46 -9.000 1.409 9.648 313 HD1 TRP 46 HD1 TRP 46 -7.301 0.207 11.370 314 HE1 TRP 46 HE1 TRP 46 -5.699 1.178 13.129 315 HE3 TRP 46 HE3 TRP 46 -7.141 5.049 9.744 316 HZ2 TRP 46 HZ2 TRP 46 -4.524 3.661 13.748 317 HZ3 TRP 46 HZ3 TRP 46 -5.751 6.660 10.977 318 HH2 TRP 46 HH2 TRP 46 -4.470 5.981 12.934 319 H ASN 47 HN ASN 47 -6.980 1.684 5.653 320 HA ASN 47 HA ASN 47 -9.706 1.436 4.698 321 HB2 ASN 47 HB2 ASN 47 -9.501 3.860 4.953 322 HB3 ASN 47 HB1 ASN 47 -7.989 3.852 4.053 323 HD21 ASN 47 HD21 ASN 47 -8.779 5.280 2.513 324 HD22 ASN 47 HD22 ASN 47 -9.937 4.808 1.318 325 H CYS 48 HN CYS 48 -9.164 -0.459 3.673 326 HA CYS 48 HA CYS 48 -6.779 -0.539 1.998 327 HB2 CYS 48 HB2 CYS 48 -7.307 -2.460 3.489 328 HB3 CYS 48 HB1 CYS 48 -8.815 -2.702 2.621 329 H ILE 49 HN ILE 49 -6.872 -0.067 -0.084 330 HA ILE 49 HA ILE 49 -9.381 0.508 -1.323 331 HB ILE 49 HB ILE 49 -7.842 0.748 -3.426 332 HG12 ILE 49 HG12 ILE 49 -5.813 0.851 -1.189 333 HG13 ILE 49 HG11 ILE 49 -5.899 -0.403 -2.422 334 HG21 ILE 49 HG21 ILE 49 -8.918 2.600 -2.298 335 HG22 ILE 49 HG22 ILE 49 -7.258 3.026 -2.712 336 HG23 ILE 49 HG23 ILE 49 -7.669 2.596 -1.051 337 HD11 ILE 49 HD11 ILE 49 -5.376 1.222 -4.135 338 HD12 ILE 49 HD12 ILE 49 -4.154 1.262 -2.864 339 HD13 ILE 49 HD13 ILE 49 -5.388 2.516 -2.938 340 H PHE 50 HN PHE 50 -7.370 -2.287 -1.200 341 HA PHE 50 HA PHE 50 -8.481 -3.416 -3.623 342 HB2 PHE 50 HB2 PHE 50 -6.481 -4.407 -1.613 343 HB3 PHE 50 HB1 PHE 50 -7.240 -5.532 -2.741 344 HD1 PHE 50 HD2 PHE 50 -5.218 -2.443 -2.531 345 HD2 PHE 50 HD1 PHE 50 -6.536 -5.664 -4.976 346 HE1 PHE 50 HE2 PHE 50 -3.584 -1.801 -4.252 347 HE2 PHE 50 HE1 PHE 50 -4.901 -5.035 -6.693 348 HZ PHE 50 HZ PHE 50 -3.518 -3.038 -6.401 349 H CYS 51 HN CYS 51 -8.888 -3.762 -0.140 350 HA CYS 51 HA CYS 51 -10.705 -5.959 -0.378 351 HB2 CYS 51 HB2 CYS 51 -9.869 -4.220 1.919 352 HB3 CYS 51 HB1 CYS 51 -11.206 -5.351 2.085 353 H ARG 52 HN ARG 52 -11.141 -2.565 -0.770 354 HA ARG 52 HA ARG 52 -13.954 -2.804 0.042 355 HB2 ARG 52 HB2 ARG 52 -12.270 -0.307 -0.271 356 HB3 ARG 52 HB1 ARG 52 -13.982 -0.328 0.132 357 HG2 ARG 52 HG2 ARG 52 -13.416 -1.617 2.185 358 HG3 ARG 52 HG1 ARG 52 -11.710 -1.393 1.793 359 HD2 ARG 52 HD2 ARG 52 -11.991 1.025 1.907 360 HD3 ARG 52 HD1 ARG 52 -13.708 0.817 2.258 361 HE ARG 52 HE ARG 52 -12.053 -0.575 4.117 362 HH11 ARG 52 HH11 ARG 52 -13.364 2.568 3.333 363 HH12 ARG 52 HH12 ARG 52 -13.265 3.162 4.958 364 HH21 ARG 52 HH21 ARG 52 -11.914 0.193 6.256 365 HH22 ARG 52 HH22 ARG 52 -12.430 1.807 6.624 366 H MET 53 HN MET 53 -11.923 -2.876 -2.487 367 HA MET 53 HA MET 53 -14.066 -2.298 -4.398 368 HB2 MET 53 HB2 MET 53 -11.157 -1.565 -4.846 369 HB3 MET 53 HB1 MET 53 -12.491 -1.285 -5.956 370 HG2 MET 53 HG2 MET 53 -13.481 0.286 -4.374 371 HG3 MET 53 HG1 MET 53 -12.152 -0.005 -3.255 372 HE1 MET 53 HE1 MET 53 -12.952 2.900 -4.073 373 HE2 MET 53 HE2 MET 53 -11.376 3.617 -4.407 374 HE3 MET 53 HE3 MET 53 -11.575 2.526 -3.036 375 H LYS 54 HN LYS 54 -13.576 -4.673 -3.293 376 HA LYS 54 HA LYS 54 -11.481 -6.151 -4.586 377 HB2 LYS 54 HB2 LYS 54 -12.195 -6.477 -2.202 378 HB3 LYS 54 HB1 LYS 54 -13.712 -7.132 -2.793 379 HG2 LYS 54 HG2 LYS 54 -12.576 -9.000 -3.800 380 HG3 LYS 54 HG1 LYS 54 -11.002 -8.320 -3.368 381 HD2 LYS 54 HD2 LYS 54 -11.601 -8.475 -0.993 382 HD3 LYS 54 HD1 LYS 54 -13.154 -9.181 -1.434 383 HE2 LYS 54 HE2 LYS 54 -11.998 -11.076 -2.458 384 HE3 LYS 54 HE1 LYS 54 -10.443 -10.366 -2.016 385 HZ1 LYS 54 HZ1 LYS 54 -12.554 -11.233 -0.116 386 HZ2 LYS 54 HZ2 LYS 54 -11.070 -10.543 0.309 387 HZ3 LYS 54 HZ3 LYS 54 -11.113 -12.057 -0.437 388 H GLU 55 HN GLU 55 -12.190 -5.831 -6.747 389 HA GLU 55 HA GLU 55 -14.199 -7.797 -7.569 390 HB2 GLU 55 HB2 GLU 55 -13.998 -4.948 -8.545 391 HB3 GLU 55 HB1 GLU 55 -14.933 -6.194 -9.353 392 HG2 GLU 55 HG2 GLU 55 -16.351 -6.437 -7.405 393 HG3 GLU 55 HG1 GLU 55 -15.382 -5.254 -6.530 394 H SER 56 HN SER 56 -12.468 -9.143 -8.063 395 HA SER 56 HA SER 56 -10.904 -10.130 -9.357 396 HB2 SER 56 HB2 SER 56 -11.875 -8.187 -11.463 397 HB3 SER 56 HB1 SER 56 -10.989 -9.684 -11.755 398 HG SER 56 HG SER 56 -13.655 -9.284 -11.104 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 16.737 -8.747 2.355 2 H2 GLY 1 HT2 GLY 1 17.059 -8.077 3.873 3 H3 GLY 1 HT3 GLY 1 17.825 -7.461 2.498 4 HA2 GLY 1 HA1 GLY 1 14.923 -7.331 3.074 5 HA3 GLY 1 HA2 GLY 1 16.059 -5.997 3.219 6 H ALA 2 HN ALA 2 13.882 -5.672 1.674 7 HA ALA 2 HA ALA 2 13.287 -4.787 -0.320 8 HB1 ALA 2 HB1 ALA 2 16.187 -5.069 -1.084 9 HB2 ALA 2 HB2 ALA 2 15.484 -3.695 -0.233 10 HB3 ALA 2 HB3 ALA 2 14.982 -4.061 -1.884 11 H MET 3 HN MET 3 13.696 -7.825 0.133 12 HA MET 3 HA MET 3 13.005 -8.547 -2.620 13 HB2 MET 3 HB2 MET 3 15.099 -9.971 -0.955 14 HB3 MET 3 HB1 MET 3 14.364 -10.661 -2.392 15 HG2 MET 3 HG2 MET 3 15.294 -8.912 -3.767 16 HG3 MET 3 HG1 MET 3 15.935 -8.091 -2.344 17 HE1 MET 3 HE1 MET 3 17.678 -8.824 -4.916 18 HE2 MET 3 HE2 MET 3 19.155 -9.412 -4.153 19 HE3 MET 3 HE3 MET 3 18.329 -7.996 -3.504 20 H GLY 4 HN GLY 4 11.059 -8.192 -0.983 21 HA2 GLY 4 HA2 GLY 4 9.180 -9.587 -0.438 22 HA3 GLY 4 HA1 GLY 4 10.305 -10.874 -0.026 23 H MET 5 HN MET 5 12.058 -9.642 1.632 24 HA MET 5 HA MET 5 10.397 -9.059 3.966 25 HB2 MET 5 HB2 MET 5 13.393 -9.474 3.775 26 HB3 MET 5 HB1 MET 5 12.475 -9.302 5.260 27 HG2 MET 5 HG2 MET 5 11.334 -11.380 4.861 28 HG3 MET 5 HG1 MET 5 12.094 -11.536 3.278 29 HE1 MET 5 HE1 MET 5 13.025 -13.950 3.742 30 HE2 MET 5 HE2 MET 5 12.137 -13.895 5.264 31 HE3 MET 5 HE3 MET 5 13.824 -14.404 5.246 32 H ARG 6 HN ARG 6 9.910 -7.000 4.341 33 HA ARG 6 HA ARG 6 9.872 -4.734 4.150 34 HB2 ARG 6 HB2 ARG 6 12.859 -5.048 4.505 35 HB3 ARG 6 HB1 ARG 6 11.961 -3.551 4.701 36 HG2 ARG 6 HG2 ARG 6 10.718 -4.575 6.566 37 HG3 ARG 6 HG1 ARG 6 11.704 -6.029 6.388 38 HD2 ARG 6 HD2 ARG 6 12.665 -3.260 7.098 39 HD3 ARG 6 HD1 ARG 6 12.599 -4.662 8.163 40 HE ARG 6 HE ARG 6 14.283 -4.731 5.755 41 HH11 ARG 6 HH11 ARG 6 13.971 -4.837 9.240 42 HH12 ARG 6 HH12 ARG 6 15.626 -5.280 9.501 43 HH21 ARG 6 HH21 ARG 6 16.460 -5.319 6.096 44 HH22 ARG 6 HH22 ARG 6 17.039 -5.560 7.715 45 H ASN 7 HN ASN 7 9.370 -5.473 1.831 46 HA ASN 7 HA ASN 7 11.420 -5.003 -0.137 47 HB2 ASN 7 HB2 ASN 7 9.391 -6.624 -0.279 48 HB3 ASN 7 HB1 ASN 7 8.492 -5.191 -0.767 49 HD21 ASN 7 HD21 ASN 7 8.926 -4.247 -2.776 50 HD22 ASN 7 HD22 ASN 7 9.855 -5.055 -3.986 51 H LEU 8 HN LEU 8 9.577 -3.073 1.721 52 HA LEU 8 HA LEU 8 8.820 -1.003 -0.050 53 HB2 LEU 8 HB2 LEU 8 8.632 0.325 2.116 54 HB3 LEU 8 HB1 LEU 8 7.614 -1.089 1.940 55 HG LEU 8 HG LEU 8 9.503 -2.300 3.276 56 HD11 LEU 8 HD11 LEU 8 11.097 -0.426 3.200 57 HD12 LEU 8 HD12 LEU 8 10.695 -0.916 4.845 58 HD13 LEU 8 HD13 LEU 8 9.973 0.537 4.158 59 HD21 LEU 8 HD21 LEU 8 7.621 -0.336 4.567 60 HD22 LEU 8 HD22 LEU 8 8.396 -1.699 5.374 61 HD23 LEU 8 HD23 LEU 8 7.238 -1.985 4.076 62 H ASP 9 HN ASP 9 11.838 -1.965 0.594 63 HA ASP 9 HA ASP 9 13.113 0.533 1.174 64 HB2 ASP 9 HB2 ASP 9 14.138 -1.621 1.801 65 HB3 ASP 9 HB1 ASP 9 14.302 -2.033 0.100 66 H GLU 10 HN GLU 10 12.537 -1.384 -1.727 67 HA GLU 10 HA GLU 10 13.851 0.454 -3.487 68 HB2 GLU 10 HB2 GLU 10 11.879 -1.773 -4.031 69 HB3 GLU 10 HB1 GLU 10 12.670 -0.835 -5.289 70 HG2 GLU 10 HG2 GLU 10 14.135 -2.457 -3.227 71 HG3 GLU 10 HG1 GLU 10 13.712 -3.040 -4.836 72 H CYS 11 HN CYS 11 10.693 0.147 -2.151 73 HA CYS 11 HA CYS 11 9.270 1.845 -3.896 74 HB2 CYS 11 HB2 CYS 11 8.176 0.268 -2.420 75 HB3 CYS 11 HB1 CYS 11 8.855 1.057 -1.012 76 H GLU 12 HN GLU 12 10.239 3.764 -4.281 77 HA GLU 12 HA GLU 12 11.545 5.400 -2.421 78 HB2 GLU 12 HB2 GLU 12 10.154 6.127 -4.995 79 HB3 GLU 12 HB1 GLU 12 11.192 7.216 -4.087 80 HG2 GLU 12 HG2 GLU 12 12.026 4.615 -5.343 81 HG3 GLU 12 HG1 GLU 12 12.391 6.230 -5.947 82 H VAL 13 HN VAL 13 8.218 4.876 -3.063 83 HA VAL 13 HA VAL 13 7.189 7.300 -2.048 84 HB VAL 13 HB VAL 13 5.861 4.593 -2.108 85 HG11 VAL 13 HG11 VAL 13 4.630 6.052 -0.702 86 HG12 VAL 13 HG12 VAL 13 3.782 5.991 -2.244 87 HG13 VAL 13 HG13 VAL 13 4.779 7.385 -1.844 88 HG21 VAL 13 HG21 VAL 13 5.915 6.775 -4.178 89 HG22 VAL 13 HG22 VAL 13 4.879 5.349 -4.237 90 HG23 VAL 13 HG23 VAL 13 6.632 5.171 -4.315 91 H CYS 14 HN CYS 14 7.718 4.098 -0.618 92 HA CYS 14 HA CYS 14 6.847 4.768 1.978 93 HB2 CYS 14 HB2 CYS 14 8.486 2.584 0.802 94 HB3 CYS 14 HB1 CYS 14 8.562 2.818 2.544 95 H ARG 15 HN ARG 15 9.928 5.077 0.354 96 HA ARG 15 HA ARG 15 11.450 5.775 2.644 97 HB2 ARG 15 HB2 ARG 15 11.904 6.491 -0.256 98 HB3 ARG 15 HB1 ARG 15 13.083 6.700 1.030 99 HG2 ARG 15 HG2 ARG 15 13.158 4.302 1.384 100 HG3 ARG 15 HG1 ARG 15 11.926 4.068 0.143 101 HD2 ARG 15 HD2 ARG 15 14.057 3.610 -0.839 102 HD3 ARG 15 HD1 ARG 15 13.481 5.144 -1.489 103 HE ARG 15 HE ARG 15 15.139 5.544 0.789 104 HH11 ARG 15 HH11 ARG 15 15.201 4.888 -2.654 105 HH12 ARG 15 HH12 ARG 15 16.838 5.443 -2.852 106 HH21 ARG 15 HH21 ARG 15 17.295 6.287 0.516 107 HH22 ARG 15 HH22 ARG 15 18.021 6.237 -1.058 108 H ASP 16 HN ASP 16 9.641 7.621 0.275 109 HA ASP 16 HA ASP 16 10.219 10.168 1.355 110 HB2 ASP 16 HB2 ASP 16 9.416 9.834 -0.933 111 HB3 ASP 16 HB1 ASP 16 7.873 9.258 -0.324 112 H GLY 17 HN GLY 17 8.224 7.669 2.489 113 HA2 GLY 17 HA2 GLY 17 7.307 7.791 4.698 114 HA3 GLY 17 HA1 GLY 17 7.071 9.517 4.467 115 H GLY 18 HN GLY 18 6.178 7.653 1.779 116 HA2 GLY 18 HA2 GLY 18 3.465 8.373 1.885 117 HA3 GLY 18 HA1 GLY 18 4.149 7.143 0.841 118 H GLU 19 HN GLU 19 1.605 7.199 2.260 119 HA GLU 19 HA GLU 19 1.931 5.187 4.351 120 HB2 GLU 19 HB2 GLU 19 -0.456 6.830 3.502 121 HB3 GLU 19 HB1 GLU 19 -0.484 5.649 4.804 122 HG2 GLU 19 HG2 GLU 19 1.332 6.998 5.916 123 HG3 GLU 19 HG1 GLU 19 1.062 8.229 4.683 124 H LEU 20 HN LEU 20 0.269 3.452 4.424 125 HA LEU 20 HA LEU 20 -0.112 2.308 1.741 126 HB2 LEU 20 HB2 LEU 20 0.440 1.096 4.423 127 HB3 LEU 20 HB1 LEU 20 -0.351 0.150 3.179 128 HG LEU 20 HG LEU 20 2.300 1.500 2.720 129 HD11 LEU 20 HD11 LEU 20 3.288 -0.744 3.157 130 HD12 LEU 20 HD12 LEU 20 1.730 -1.249 3.813 131 HD13 LEU 20 HD13 LEU 20 2.636 0.045 4.592 132 HD21 LEU 20 HD21 LEU 20 1.179 0.862 0.696 133 HD22 LEU 20 HD22 LEU 20 0.796 -0.727 1.351 134 HD23 LEU 20 HD23 LEU 20 2.469 -0.303 0.995 135 H PHE 21 HN PHE 21 -2.115 1.795 1.078 136 HA PHE 21 HA PHE 21 -4.313 2.258 2.986 137 HB2 PHE 21 HB2 PHE 21 -4.486 2.279 -0.041 138 HB3 PHE 21 HB1 PHE 21 -5.662 2.928 1.107 139 HD1 PHE 21 HD1 PHE 21 -4.755 4.816 2.677 140 HD2 PHE 21 HD2 PHE 21 -2.964 3.716 -1.026 141 HE1 PHE 21 HE1 PHE 21 -3.714 7.037 2.521 142 HE2 PHE 21 HE2 PHE 21 -1.919 5.930 -1.181 143 HZ PHE 21 HZ PHE 21 -2.129 7.520 0.669 144 H CYS 22 HN CYS 22 -2.969 -0.181 3.005 145 HA CYS 22 HA CYS 22 -5.081 -2.011 2.135 146 HB2 CYS 22 HB2 CYS 22 -2.180 -2.100 1.361 147 HB3 CYS 22 HB1 CYS 22 -3.148 -3.568 1.385 148 H CYS 23 HN CYS 23 -4.821 -4.220 3.090 149 HA CYS 23 HA CYS 23 -4.173 -4.172 5.876 150 HB2 CYS 23 HB2 CYS 23 -4.557 -6.659 4.191 151 HB3 CYS 23 HB1 CYS 23 -4.857 -6.469 5.917 152 H ASP 24 HN ASP 24 -2.602 -5.825 6.846 153 HA ASP 24 HA ASP 24 0.001 -5.501 6.041 154 HB2 ASP 24 HB2 ASP 24 -1.261 -7.816 7.511 155 HB3 ASP 24 HB1 ASP 24 0.473 -7.697 7.246 156 H THR 25 HN THR 25 -2.007 -8.350 5.325 157 HA THR 25 HA THR 25 -0.155 -9.606 3.643 158 HB THR 25 HB THR 25 -3.166 -9.845 3.574 159 HG1 THR 25 HG1 THR 25 -1.224 -10.733 5.344 160 HG21 THR 25 HG21 THR 25 -2.076 -10.846 1.619 161 HG22 THR 25 HG22 THR 25 -2.750 -12.086 2.677 162 HG23 THR 25 HG23 THR 25 -1.015 -11.768 2.682 163 H CYS 26 HN CYS 26 -2.915 -7.505 2.860 164 HA CYS 26 HA CYS 26 -2.705 -7.721 0.074 165 HB2 CYS 26 HB2 CYS 26 -3.835 -5.432 1.696 166 HB3 CYS 26 HB1 CYS 26 -4.172 -5.754 -0.002 167 H SER 27 HN SER 27 -1.311 -5.396 2.336 168 HA SER 27 HA SER 27 -0.176 -3.664 0.419 169 HB2 SER 27 HB2 SER 27 0.577 -4.209 3.291 170 HB3 SER 27 HB1 SER 27 1.282 -2.921 2.321 171 HG SER 27 HG SER 27 -0.518 -2.274 3.650 172 H ARG 28 HN ARG 28 0.921 -6.687 1.746 173 HA ARG 28 HA ARG 28 3.616 -6.246 0.795 174 HB2 ARG 28 HB2 ARG 28 2.321 -8.532 2.268 175 HB3 ARG 28 HB1 ARG 28 4.002 -8.560 1.735 176 HG2 ARG 28 HG2 ARG 28 4.543 -6.679 3.103 177 HG3 ARG 28 HG1 ARG 28 2.848 -6.407 3.495 178 HD2 ARG 28 HD2 ARG 28 2.821 -8.609 4.641 179 HD3 ARG 28 HD1 ARG 28 4.556 -8.739 4.345 180 HE ARG 28 HE ARG 28 4.439 -6.390 5.579 181 HH11 ARG 28 HH11 ARG 28 2.925 -9.437 6.384 182 HH12 ARG 28 HH12 ARG 28 2.823 -9.089 8.079 183 HH21 ARG 28 HH21 ARG 28 4.324 -5.924 7.813 184 HH22 ARG 28 HH22 ARG 28 3.625 -7.087 8.892 185 H VAL 29 HN VAL 29 0.712 -7.668 -0.364 186 HA VAL 29 HA VAL 29 2.116 -9.105 -2.464 187 HB VAL 29 HB VAL 29 -0.856 -8.763 -2.026 188 HG11 VAL 29 HG11 VAL 29 0.656 -10.611 -3.871 189 HG12 VAL 29 HG12 VAL 29 -0.326 -9.229 -4.358 190 HG13 VAL 29 HG13 VAL 29 -1.086 -10.629 -3.601 191 HG21 VAL 29 HG21 VAL 29 0.972 -11.070 -1.372 192 HG22 VAL 29 HG22 VAL 29 -0.786 -11.082 -1.223 193 HG23 VAL 29 HG23 VAL 29 0.179 -10.006 -0.212 194 H PHE 30 HN PHE 30 -0.082 -6.309 -2.150 195 HA PHE 30 HA PHE 30 0.593 -5.588 -4.936 196 HB2 PHE 30 HB2 PHE 30 -1.821 -4.640 -3.369 197 HB3 PHE 30 HB1 PHE 30 -1.514 -4.416 -5.087 198 HD1 PHE 30 HD1 PHE 30 -1.224 -6.702 -6.434 199 HD2 PHE 30 HD2 PHE 30 -3.284 -6.271 -2.733 200 HE1 PHE 30 HE1 PHE 30 -2.511 -8.739 -6.915 201 HE2 PHE 30 HE2 PHE 30 -4.566 -8.314 -3.204 202 HZ PHE 30 HZ PHE 30 -4.183 -9.552 -5.301 203 H HIS 31 HN HIS 31 2.456 -4.888 -3.111 204 HA HIS 31 HA HIS 31 2.064 -2.708 -1.467 205 HB2 HIS 31 HB2 HIS 31 4.066 -4.201 -1.548 206 HB3 HIS 31 HB1 HIS 31 4.605 -3.325 -2.975 207 HD1 HIS 31 HD1 HIS 31 3.677 -2.466 0.635 208 HD2 HIS 31 HD2 HIS 31 6.323 -1.352 -2.369 209 HE1 HIS 31 HE1 HIS 31 5.263 -0.779 1.671 210 H GLU 32 HN GLU 32 3.160 -2.659 -4.843 211 HA GLU 32 HA GLU 32 3.678 0.138 -4.856 212 HB2 GLU 32 HB2 GLU 32 3.289 -1.822 -7.119 213 HB3 GLU 32 HB1 GLU 32 3.846 -0.167 -7.323 214 HG2 GLU 32 HG2 GLU 32 5.864 -0.601 -6.183 215 HG3 GLU 32 HG1 GLU 32 5.281 -2.153 -5.589 216 H ASP 33 HN ASP 33 0.947 -1.856 -5.710 217 HA ASP 33 HA ASP 33 -0.538 0.308 -6.892 218 HB2 ASP 33 HB2 ASP 33 -1.390 -2.474 -6.050 219 HB3 ASP 33 HB1 ASP 33 -2.440 -1.324 -6.871 220 H CYS 34 HN CYS 34 -0.082 -1.026 -3.748 221 HA CYS 34 HA CYS 34 -2.484 0.096 -2.621 222 HB2 CYS 34 HB2 CYS 34 -0.101 -1.350 -1.484 223 HB3 CYS 34 HB1 CYS 34 -1.310 -0.613 -0.432 224 H HIS 35 HN HIS 35 0.303 1.515 -3.621 225 HA HIS 35 HA HIS 35 0.190 3.596 -1.557 226 HB2 HIS 35 HB2 HIS 35 2.188 2.998 -3.737 227 HB3 HIS 35 HB1 HIS 35 2.184 4.536 -2.873 228 HD1 HIS 35 HD1 HIS 35 2.587 4.346 -0.200 229 HD2 HIS 35 HD2 HIS 35 3.292 0.901 -2.411 230 HE1 HIS 35 HE1 HIS 35 3.872 2.782 1.313 231 H ILE 36 HN ILE 36 -1.476 2.871 -4.184 232 HA ILE 36 HA ILE 36 -1.819 5.680 -5.013 233 HB ILE 36 HB ILE 36 -2.350 3.233 -6.715 234 HG12 ILE 36 HG12 ILE 36 -0.014 5.154 -6.838 235 HG13 ILE 36 HG11 ILE 36 0.063 3.491 -6.269 236 HG21 ILE 36 HG21 ILE 36 -2.551 4.820 -8.554 237 HG22 ILE 36 HG22 ILE 36 -2.238 6.156 -7.449 238 HG23 ILE 36 HG23 ILE 36 -3.705 5.195 -7.274 239 HD11 ILE 36 HD11 ILE 36 0.912 3.659 -8.522 240 HD12 ILE 36 HD12 ILE 36 -0.599 4.391 -9.062 241 HD13 ILE 36 HD13 ILE 36 -0.580 2.718 -8.506 242 HA PRO 37 HA PRO 37 -3.326 7.000 -5.890 243 HB2 PRO 37 HB2 PRO 37 -5.229 8.469 -4.220 244 HB3 PRO 37 HB1 PRO 37 -5.144 8.375 -5.986 245 HG2 PRO 37 HG2 PRO 37 -7.145 7.234 -4.561 246 HG3 PRO 37 HG1 PRO 37 -6.542 6.548 -6.085 247 HD2 PRO 37 HD2 PRO 37 -5.915 5.737 -3.260 248 HD3 PRO 37 HD1 PRO 37 -6.270 4.711 -4.671 249 HA PRO 38 HA PRO 38 -0.399 7.936 -2.753 250 HB2 PRO 38 HB2 PRO 38 0.302 10.466 -3.626 251 HB3 PRO 38 HB1 PRO 38 0.966 8.954 -4.253 252 HG2 PRO 38 HG2 PRO 38 -1.201 10.687 -5.359 253 HG3 PRO 38 HG1 PRO 38 0.071 9.796 -6.219 254 HD2 PRO 38 HD2 PRO 38 -2.469 8.899 -6.127 255 HD3 PRO 38 HD1 PRO 38 -1.085 7.780 -6.098 256 H VAL 39 HN VAL 39 0.041 9.342 -1.002 257 HA VAL 39 HA VAL 39 -2.215 10.210 0.403 258 HB VAL 39 HB VAL 39 0.687 10.911 0.848 259 HG11 VAL 39 HG11 VAL 39 -0.750 12.523 1.968 260 HG12 VAL 39 HG12 VAL 39 0.037 11.466 3.140 261 HG13 VAL 39 HG13 VAL 39 -1.656 11.209 2.718 262 HG21 VAL 39 HG21 VAL 39 0.623 9.157 2.544 263 HG22 VAL 39 HG22 VAL 39 0.235 8.515 0.950 264 HG23 VAL 39 HG23 VAL 39 -1.051 8.804 2.122 265 H GLU 40 HN GLU 40 -3.386 11.980 0.230 266 HA GLU 40 HA GLU 40 -2.264 14.526 -0.505 267 HB2 GLU 40 HB2 GLU 40 -2.621 13.411 -2.705 268 HB3 GLU 40 HB1 GLU 40 -4.321 13.227 -2.305 269 HG2 GLU 40 HG2 GLU 40 -3.988 15.113 -3.781 270 HG3 GLU 40 HG1 GLU 40 -4.561 15.651 -2.203 271 H ALA 41 HN ALA 41 -5.478 13.050 -0.789 272 HA ALA 41 HA ALA 41 -6.408 14.249 1.650 273 HB1 ALA 41 HB1 ALA 41 -7.488 15.204 -1.001 274 HB2 ALA 41 HB2 ALA 41 -6.595 16.167 0.174 275 HB3 ALA 41 HB3 ALA 41 -8.200 15.559 0.572 276 H GLU 42 HN GLU 42 -8.324 13.290 2.366 277 HA GLU 42 HA GLU 42 -9.981 11.753 2.541 278 HB2 GLU 42 HB2 GLU 42 -9.959 12.013 -0.460 279 HB3 GLU 42 HB1 GLU 42 -11.175 11.114 0.435 280 HG2 GLU 42 HG2 GLU 42 -10.592 14.028 0.873 281 HG3 GLU 42 HG1 GLU 42 -11.837 13.428 -0.224 282 H ARG 43 HN ARG 43 -7.093 10.920 2.041 283 HA ARG 43 HA ARG 43 -7.439 8.254 0.931 284 HB2 ARG 43 HB2 ARG 43 -4.978 9.441 2.219 285 HB3 ARG 43 HB1 ARG 43 -5.054 8.000 1.221 286 HG2 ARG 43 HG2 ARG 43 -5.531 10.830 0.309 287 HG3 ARG 43 HG1 ARG 43 -4.105 9.846 -0.005 288 HD2 ARG 43 HD2 ARG 43 -5.574 8.227 -1.209 289 HD3 ARG 43 HD1 ARG 43 -6.900 9.375 -1.018 290 HE ARG 43 HE ARG 43 -4.401 10.090 -2.419 291 HH11 ARG 43 HH11 ARG 43 -7.912 9.904 -2.332 292 HH12 ARG 43 HH12 ARG 43 -8.115 10.785 -3.812 293 HH21 ARG 43 HH21 ARG 43 -4.679 11.255 -4.359 294 HH22 ARG 43 HH22 ARG 43 -6.280 11.555 -4.960 295 H THR 44 HN THR 44 -7.341 6.364 2.121 296 HA THR 44 HA THR 44 -7.539 6.730 5.037 297 HB THR 44 HB THR 44 -9.069 4.742 5.006 298 HG1 THR 44 HG1 THR 44 -8.435 3.950 2.921 299 HG21 THR 44 HG21 THR 44 -9.955 7.135 3.386 300 HG22 THR 44 HG22 THR 44 -9.971 7.011 5.144 301 HG23 THR 44 HG23 THR 44 -11.027 5.979 4.179 302 HA PRO 45 HA PRO 45 -3.966 3.887 4.444 303 HB2 PRO 45 HB2 PRO 45 -3.162 4.939 7.063 304 HB3 PRO 45 HB1 PRO 45 -2.282 4.957 5.531 305 HG2 PRO 45 HG2 PRO 45 -3.304 7.203 6.611 306 HG3 PRO 45 HG1 PRO 45 -3.219 6.951 4.858 307 HD2 PRO 45 HD2 PRO 45 -5.566 6.657 6.705 308 HD3 PRO 45 HD1 PRO 45 -5.495 7.387 5.083 309 H TRP 46 HN TRP 46 -6.255 4.323 6.990 310 HA TRP 46 HA TRP 46 -5.556 1.772 8.233 311 HB2 TRP 46 HB2 TRP 46 -7.354 2.419 9.888 312 HB3 TRP 46 HB1 TRP 46 -5.987 3.529 9.818 313 HD1 TRP 46 HD1 TRP 46 -9.707 3.294 8.893 314 HE1 TRP 46 HE1 TRP 46 -10.606 5.668 8.487 315 HE3 TRP 46 HE3 TRP 46 -5.305 5.887 9.155 316 HZ2 TRP 46 HZ2 TRP 46 -9.586 8.287 8.305 317 HZ3 TRP 46 HZ3 TRP 46 -5.358 8.329 8.853 318 HH2 TRP 46 HH2 TRP 46 -7.452 9.500 8.436 319 H ASN 47 HN ASN 47 -6.903 2.242 5.525 320 HA ASN 47 HA ASN 47 -8.982 0.238 5.903 321 HB2 ASN 47 HB2 ASN 47 -10.137 2.452 5.966 322 HB3 ASN 47 HB1 ASN 47 -9.478 2.807 4.374 323 HD21 ASN 47 HD21 ASN 47 -11.735 0.805 6.151 324 HD22 ASN 47 HD22 ASN 47 -12.649 0.290 4.773 325 H CYS 48 HN CYS 48 -9.204 -1.119 4.147 326 HA CYS 48 HA CYS 48 -7.027 -0.912 2.205 327 HB2 CYS 48 HB2 CYS 48 -7.292 -2.934 3.639 328 HB3 CYS 48 HB1 CYS 48 -8.846 -3.229 2.881 329 H ILE 49 HN ILE 49 -7.432 -0.279 0.206 330 HA ILE 49 HA ILE 49 -10.107 0.131 -0.713 331 HB ILE 49 HB ILE 49 -8.915 0.744 -2.908 332 HG12 ILE 49 HG12 ILE 49 -6.519 0.674 -1.071 333 HG13 ILE 49 HG11 ILE 49 -6.807 -0.463 -2.383 334 HG21 ILE 49 HG21 ILE 49 -9.801 2.406 -1.397 335 HG22 ILE 49 HG22 ILE 49 -8.224 2.931 -1.987 336 HG23 ILE 49 HG23 ILE 49 -8.380 2.268 -0.362 337 HD11 ILE 49 HD11 ILE 49 -6.688 1.387 -3.985 338 HD12 ILE 49 HD12 ILE 49 -5.210 1.235 -3.034 339 HD13 ILE 49 HD13 ILE 49 -6.375 2.503 -2.655 340 H PHE 50 HN PHE 50 -7.824 -2.454 -1.063 341 HA PHE 50 HA PHE 50 -9.022 -3.470 -3.500 342 HB2 PHE 50 HB2 PHE 50 -6.837 -4.506 -1.690 343 HB3 PHE 50 HB1 PHE 50 -7.505 -5.489 -2.995 344 HD1 PHE 50 HD2 PHE 50 -5.630 -2.421 -2.209 345 HD2 PHE 50 HD1 PHE 50 -6.973 -5.058 -5.264 346 HE1 PHE 50 HE2 PHE 50 -4.128 -1.321 -3.813 347 HE2 PHE 50 HE1 PHE 50 -5.474 -3.963 -6.875 348 HZ PHE 50 HZ PHE 50 -4.052 -2.090 -6.151 349 H CYS 51 HN CYS 51 -8.920 -4.332 -0.072 350 HA CYS 51 HA CYS 51 -10.826 -6.408 -0.197 351 HB2 CYS 51 HB2 CYS 51 -9.902 -4.627 2.047 352 HB3 CYS 51 HB1 CYS 51 -11.211 -5.778 2.284 353 H ARG 52 HN ARG 52 -11.174 -3.108 -0.738 354 HA ARG 52 HA ARG 52 -13.943 -3.024 0.217 355 HB2 ARG 52 HB2 ARG 52 -12.483 -1.082 0.802 356 HB3 ARG 52 HB1 ARG 52 -12.254 -0.772 -0.914 357 HG2 ARG 52 HG2 ARG 52 -14.830 -0.622 -0.998 358 HG3 ARG 52 HG1 ARG 52 -14.713 -0.425 0.751 359 HD2 ARG 52 HD2 ARG 52 -13.344 1.297 -1.310 360 HD3 ARG 52 HD1 ARG 52 -14.803 1.724 -0.424 361 HE ARG 52 HE ARG 52 -12.547 1.090 1.253 362 HH11 ARG 52 HH11 ARG 52 -14.278 3.598 -0.465 363 HH12 ARG 52 HH12 ARG 52 -13.572 4.892 0.448 364 HH21 ARG 52 HH21 ARG 52 -11.618 2.781 2.463 365 HH22 ARG 52 HH22 ARG 52 -12.069 4.427 2.131 366 H MET 53 HN MET 53 -11.982 -3.542 -2.441 367 HA MET 53 HA MET 53 -12.206 -3.705 -4.691 368 HB2 MET 53 HB2 MET 53 -15.031 -4.362 -3.861 369 HB3 MET 53 HB1 MET 53 -14.409 -4.586 -5.492 370 HG2 MET 53 HG2 MET 53 -12.741 -6.146 -4.653 371 HG3 MET 53 HG1 MET 53 -13.336 -5.909 -3.011 372 HE1 MET 53 HE1 MET 53 -12.991 -8.756 -4.438 373 HE2 MET 53 HE2 MET 53 -14.464 -9.561 -3.902 374 HE3 MET 53 HE3 MET 53 -13.550 -8.554 -2.779 375 H LYS 54 HN LYS 54 -12.683 -1.091 -3.445 376 HA LYS 54 HA LYS 54 -13.786 0.189 -5.825 377 HB2 LYS 54 HB2 LYS 54 -15.592 0.064 -4.090 378 HB3 LYS 54 HB1 LYS 54 -14.566 1.010 -3.022 379 HG2 LYS 54 HG2 LYS 54 -16.163 2.473 -4.025 380 HG3 LYS 54 HG1 LYS 54 -14.581 2.833 -4.718 381 HD2 LYS 54 HD2 LYS 54 -15.130 1.543 -6.698 382 HD3 LYS 54 HD1 LYS 54 -16.682 1.087 -5.995 383 HE2 LYS 54 HE2 LYS 54 -17.041 2.870 -7.561 384 HE3 LYS 54 HE1 LYS 54 -17.303 3.484 -5.931 385 HZ1 LYS 54 HZ1 LYS 54 -16.028 5.018 -7.310 386 HZ2 LYS 54 HZ2 LYS 54 -14.822 3.856 -7.520 387 HZ3 LYS 54 HZ3 LYS 54 -15.117 4.499 -5.979 388 H GLU 55 HN GLU 55 -11.959 1.150 -6.517 389 HA GLU 55 HA GLU 55 -10.026 2.261 -4.703 390 HB2 GLU 55 HB2 GLU 55 -9.411 1.242 -6.885 391 HB3 GLU 55 HB1 GLU 55 -10.219 2.572 -7.701 392 HG2 GLU 55 HG2 GLU 55 -8.644 4.108 -6.451 393 HG3 GLU 55 HG1 GLU 55 -7.737 2.658 -6.018 394 H SER 56 HN SER 56 -11.318 3.756 -3.576 395 HA SER 56 HA SER 56 -12.401 5.690 -3.110 396 HB2 SER 56 HB2 SER 56 -11.260 7.737 -4.088 397 HB3 SER 56 HB1 SER 56 -10.211 6.611 -3.233 398 HG SER 56 HG SER 56 -10.420 6.011 -5.879 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 15.951 -13.283 1.502 2 H2 GLY 1 HT2 GLY 1 17.135 -13.623 2.658 3 H3 GLY 1 HT3 GLY 1 17.093 -12.108 1.914 4 HA2 GLY 1 HA1 GLY 1 16.206 -11.981 4.150 5 HA3 GLY 1 HA2 GLY 1 14.986 -11.601 2.943 6 H ALA 2 HN ALA 2 15.467 -13.209 5.735 7 HA ALA 2 HA ALA 2 13.162 -14.937 5.257 8 HB1 ALA 2 HB1 ALA 2 15.074 -16.397 4.850 9 HB2 ALA 2 HB2 ALA 2 14.236 -16.864 6.329 10 HB3 ALA 2 HB3 ALA 2 15.750 -15.967 6.421 11 H MET 3 HN MET 3 13.137 -12.560 6.588 12 HA MET 3 HA MET 3 12.432 -13.450 9.270 13 HB2 MET 3 HB2 MET 3 14.825 -12.579 9.304 14 HB3 MET 3 HB1 MET 3 14.168 -11.000 8.895 15 HG2 MET 3 HG2 MET 3 12.870 -10.990 10.955 16 HG3 MET 3 HG1 MET 3 13.478 -12.594 11.359 17 HE1 MET 3 HE1 MET 3 16.560 -12.356 10.435 18 HE2 MET 3 HE2 MET 3 15.991 -13.124 11.916 19 HE3 MET 3 HE3 MET 3 17.275 -11.916 11.986 20 H GLY 4 HN GLY 4 11.003 -12.707 6.899 21 HA2 GLY 4 HA2 GLY 4 8.791 -11.578 7.325 22 HA3 GLY 4 HA1 GLY 4 9.755 -10.170 7.746 23 H MET 5 HN MET 5 7.879 -9.890 5.823 24 HA MET 5 HA MET 5 9.324 -10.027 3.276 25 HB2 MET 5 HB2 MET 5 7.079 -10.941 3.190 26 HB3 MET 5 HB1 MET 5 6.412 -9.471 3.885 27 HG2 MET 5 HG2 MET 5 6.013 -9.625 1.476 28 HG3 MET 5 HG1 MET 5 6.987 -8.220 1.900 29 HE1 MET 5 HE1 MET 5 6.971 -11.811 0.317 30 HE2 MET 5 HE2 MET 5 8.121 -11.992 1.641 31 HE3 MET 5 HE3 MET 5 8.683 -12.062 -0.027 32 H ARG 6 HN ARG 6 10.747 -8.340 3.472 33 HA ARG 6 HA ARG 6 9.543 -5.662 3.718 34 HB2 ARG 6 HB2 ARG 6 12.343 -6.573 4.402 35 HB3 ARG 6 HB1 ARG 6 11.824 -4.895 4.396 36 HG2 ARG 6 HG2 ARG 6 10.174 -5.433 6.153 37 HG3 ARG 6 HG1 ARG 6 10.796 -7.086 6.189 38 HD2 ARG 6 HD2 ARG 6 12.986 -6.280 6.836 39 HD3 ARG 6 HD1 ARG 6 12.441 -4.612 6.703 40 HE ARG 6 HE ARG 6 10.854 -6.094 8.549 41 HH11 ARG 6 HH11 ARG 6 13.930 -4.475 8.167 42 HH12 ARG 6 HH12 ARG 6 14.089 -4.092 9.849 43 HH21 ARG 6 HH21 ARG 6 11.067 -5.598 10.784 44 HH22 ARG 6 HH22 ARG 6 12.471 -4.748 11.341 45 H ASN 7 HN ASN 7 9.218 -5.010 1.652 46 HA ASN 7 HA ASN 7 11.642 -4.726 0.041 47 HB2 ASN 7 HB2 ASN 7 10.200 -6.676 -0.783 48 HB3 ASN 7 HB1 ASN 7 9.025 -5.453 -1.262 49 HD21 ASN 7 HD21 ASN 7 10.514 -7.293 -2.969 50 HD22 ASN 7 HD22 ASN 7 11.432 -6.312 -4.060 51 H LEU 8 HN LEU 8 10.885 -2.751 1.542 52 HA LEU 8 HA LEU 8 9.327 -0.938 -0.128 53 HB2 LEU 8 HB2 LEU 8 9.582 0.667 1.779 54 HB3 LEU 8 HB1 LEU 8 8.680 -0.787 2.150 55 HG LEU 8 HG LEU 8 10.964 -1.644 3.090 56 HD11 LEU 8 HD11 LEU 8 12.367 0.106 4.026 57 HD12 LEU 8 HD12 LEU 8 11.369 1.339 3.258 58 HD13 LEU 8 HD13 LEU 8 12.314 0.229 2.267 59 HD21 LEU 8 HD21 LEU 8 10.393 -0.706 5.275 60 HD22 LEU 8 HD22 LEU 8 8.961 -1.271 4.414 61 HD23 LEU 8 HD23 LEU 8 9.319 0.455 4.495 62 H ASP 9 HN ASP 9 12.250 -2.072 -0.173 63 HA ASP 9 HA ASP 9 13.896 0.256 -0.250 64 HB2 ASP 9 HB2 ASP 9 14.351 -2.546 -1.286 65 HB3 ASP 9 HB1 ASP 9 15.569 -1.277 -1.330 66 H GLU 10 HN GLU 10 12.101 -1.627 -2.578 67 HA GLU 10 HA GLU 10 13.023 0.051 -4.777 68 HB2 GLU 10 HB2 GLU 10 11.086 -2.271 -4.755 69 HB3 GLU 10 HB1 GLU 10 11.649 -1.429 -6.194 70 HG2 GLU 10 HG2 GLU 10 13.936 -2.137 -5.713 71 HG3 GLU 10 HG1 GLU 10 13.367 -2.978 -4.271 72 H CYS 11 HN CYS 11 10.992 0.491 -2.394 73 HA CYS 11 HA CYS 11 8.828 1.686 -3.969 74 HB2 CYS 11 HB2 CYS 11 8.238 0.012 -2.226 75 HB3 CYS 11 HB1 CYS 11 8.956 1.060 -1.015 76 H GLU 12 HN GLU 12 9.795 3.599 -4.547 77 HA GLU 12 HA GLU 12 11.407 5.200 -2.913 78 HB2 GLU 12 HB2 GLU 12 9.679 5.989 -5.261 79 HB3 GLU 12 HB1 GLU 12 10.956 6.977 -4.566 80 HG2 GLU 12 HG2 GLU 12 11.366 4.261 -5.789 81 HG3 GLU 12 HG1 GLU 12 11.643 5.793 -6.615 82 H VAL 13 HN VAL 13 7.955 5.094 -3.403 83 HA VAL 13 HA VAL 13 7.366 7.542 -2.152 84 HB VAL 13 HB VAL 13 5.781 6.561 -3.668 85 HG11 VAL 13 HG11 VAL 13 6.317 4.202 -3.174 86 HG12 VAL 13 HG12 VAL 13 4.592 4.535 -3.245 87 HG13 VAL 13 HG13 VAL 13 5.386 4.340 -1.684 88 HG21 VAL 13 HG21 VAL 13 3.742 6.778 -2.389 89 HG22 VAL 13 HG22 VAL 13 4.915 7.980 -1.847 90 HG23 VAL 13 HG23 VAL 13 4.629 6.527 -0.888 91 H CYS 14 HN CYS 14 7.972 4.338 -0.901 92 HA CYS 14 HA CYS 14 6.896 4.754 1.694 93 HB2 CYS 14 HB2 CYS 14 8.561 2.752 0.396 94 HB3 CYS 14 HB1 CYS 14 9.074 3.066 2.048 95 H ARG 15 HN ARG 15 10.039 5.354 0.239 96 HA ARG 15 HA ARG 15 11.261 6.173 2.684 97 HB2 ARG 15 HB2 ARG 15 12.120 6.608 -0.175 98 HB3 ARG 15 HB1 ARG 15 13.106 6.985 1.234 99 HG2 ARG 15 HG2 ARG 15 12.847 4.544 1.886 100 HG3 ARG 15 HG1 ARG 15 12.206 4.293 0.264 101 HD2 ARG 15 HD2 ARG 15 14.892 5.523 0.839 102 HD3 ARG 15 HD1 ARG 15 14.646 3.809 0.533 103 HE ARG 15 HE ARG 15 13.550 4.896 -1.648 104 HH11 ARG 15 HH11 ARG 15 16.576 5.573 -0.026 105 HH12 ARG 15 HH12 ARG 15 17.428 5.946 -1.492 106 HH21 ARG 15 HH21 ARG 15 14.669 5.356 -3.592 107 HH22 ARG 15 HH22 ARG 15 16.340 5.844 -3.515 108 H ASP 16 HN ASP 16 9.470 7.761 0.179 109 HA ASP 16 HA ASP 16 9.962 10.402 1.186 110 HB2 ASP 16 HB2 ASP 16 8.085 9.255 -0.847 111 HB3 ASP 16 HB1 ASP 16 7.861 10.904 -0.275 112 H GLY 17 HN GLY 17 8.457 7.964 2.636 113 HA2 GLY 17 HA2 GLY 17 7.307 8.051 4.647 114 HA3 GLY 17 HA1 GLY 17 7.096 9.779 4.414 115 H GLY 18 HN GLY 18 6.175 7.553 1.924 116 HA2 GLY 18 HA2 GLY 18 3.499 8.461 1.861 117 HA3 GLY 18 HA1 GLY 18 4.140 7.080 0.989 118 H GLU 19 HN GLU 19 1.590 7.118 2.013 119 HA GLU 19 HA GLU 19 1.736 5.413 4.401 120 HB2 GLU 19 HB2 GLU 19 -0.554 7.020 3.270 121 HB3 GLU 19 HB1 GLU 19 -0.692 5.953 4.660 122 HG2 GLU 19 HG2 GLU 19 1.164 7.382 5.699 123 HG3 GLU 19 HG1 GLU 19 0.821 8.533 4.409 124 H LEU 20 HN LEU 20 0.415 3.567 4.523 125 HA LEU 20 HA LEU 20 -0.087 2.302 1.932 126 HB2 LEU 20 HB2 LEU 20 0.335 1.260 4.713 127 HB3 LEU 20 HB1 LEU 20 -0.436 0.260 3.498 128 HG LEU 20 HG LEU 20 2.296 1.479 3.111 129 HD11 LEU 20 HD11 LEU 20 2.341 0.032 5.080 130 HD12 LEU 20 HD12 LEU 20 3.196 -0.715 3.730 131 HD13 LEU 20 HD13 LEU 20 1.574 -1.261 4.157 132 HD21 LEU 20 HD21 LEU 20 1.164 0.791 1.064 133 HD22 LEU 20 HD22 LEU 20 0.838 -0.796 1.758 134 HD23 LEU 20 HD23 LEU 20 2.496 -0.305 1.427 135 H PHE 21 HN PHE 21 -2.111 1.935 1.235 136 HA PHE 21 HA PHE 21 -4.299 2.455 3.136 137 HB2 PHE 21 HB2 PHE 21 -4.381 2.569 0.106 138 HB3 PHE 21 HB1 PHE 21 -5.665 3.065 1.209 139 HD1 PHE 21 HD1 PHE 21 -5.116 4.986 2.851 140 HD2 PHE 21 HD2 PHE 21 -2.806 4.121 -0.627 141 HE1 PHE 21 HE1 PHE 21 -4.218 7.267 2.877 142 HE2 PHE 21 HE2 PHE 21 -1.907 6.403 -0.594 143 HZ PHE 21 HZ PHE 21 -2.532 7.948 1.221 144 H CYS 22 HN CYS 22 -2.879 -0.001 2.951 145 HA CYS 22 HA CYS 22 -5.039 -1.801 2.117 146 HB2 CYS 22 HB2 CYS 22 -2.133 -1.923 1.379 147 HB3 CYS 22 HB1 CYS 22 -3.069 -3.411 1.511 148 H CYS 23 HN CYS 23 -5.019 -3.845 3.178 149 HA CYS 23 HA CYS 23 -4.010 -3.754 5.883 150 HB2 CYS 23 HB2 CYS 23 -5.298 -5.731 6.259 151 HB3 CYS 23 HB1 CYS 23 -6.275 -4.733 5.181 152 H ASP 24 HN ASP 24 -2.861 -5.874 6.649 153 HA ASP 24 HA ASP 24 -0.313 -5.837 5.599 154 HB2 ASP 24 HB2 ASP 24 -1.640 -8.093 7.106 155 HB3 ASP 24 HB1 ASP 24 0.094 -7.938 6.847 156 H THR 25 HN THR 25 -2.833 -8.239 4.961 157 HA THR 25 HA THR 25 -1.267 -9.974 3.431 158 HB THR 25 HB THR 25 -4.252 -9.553 3.241 159 HG1 THR 25 HG1 THR 25 -2.598 -10.974 5.061 160 HG21 THR 25 HG21 THR 25 -3.338 -10.952 1.442 161 HG22 THR 25 HG22 THR 25 -4.302 -11.908 2.567 162 HG23 THR 25 HG23 THR 25 -2.542 -11.970 2.642 163 H CYS 26 HN CYS 26 -3.445 -7.353 2.362 164 HA CYS 26 HA CYS 26 -2.913 -7.833 -0.400 165 HB2 CYS 26 HB2 CYS 26 -4.074 -5.373 0.913 166 HB3 CYS 26 HB1 CYS 26 -4.107 -5.721 -0.807 167 H SER 27 HN SER 27 -1.512 -5.723 2.046 168 HA SER 27 HA SER 27 -0.109 -4.015 0.286 169 HB2 SER 27 HB2 SER 27 -0.528 -3.414 2.622 170 HB3 SER 27 HB1 SER 27 0.473 -4.758 3.164 171 HG SER 27 HG SER 27 1.986 -3.297 3.131 172 H ARG 28 HN ARG 28 0.658 -7.122 1.736 173 HA ARG 28 HA ARG 28 3.403 -7.047 0.947 174 HB2 ARG 28 HB2 ARG 28 1.647 -9.289 1.948 175 HB3 ARG 28 HB1 ARG 28 3.367 -9.472 1.619 176 HG2 ARG 28 HG2 ARG 28 3.924 -7.869 3.312 177 HG3 ARG 28 HG1 ARG 28 2.226 -7.472 3.559 178 HD2 ARG 28 HD2 ARG 28 1.863 -9.842 4.269 179 HD3 ARG 28 HD1 ARG 28 3.612 -10.069 4.200 180 HE ARG 28 HE ARG 28 2.902 -7.822 5.798 181 HH11 ARG 28 HH11 ARG 28 3.064 -11.321 5.850 182 HH12 ARG 28 HH12 ARG 28 3.256 -11.411 7.572 183 HH21 ARG 28 HH21 ARG 28 3.143 -7.935 8.057 184 HH22 ARG 28 HH22 ARG 28 3.304 -9.483 8.828 185 H VAL 29 HN VAL 29 0.481 -7.837 -0.646 186 HA VAL 29 HA VAL 29 1.874 -9.357 -2.714 187 HB VAL 29 HB VAL 29 -1.072 -8.730 -2.486 188 HG11 VAL 29 HG11 VAL 29 -0.370 -9.145 -4.791 189 HG12 VAL 29 HG12 VAL 29 -1.360 -10.472 -4.182 190 HG13 VAL 29 HG13 VAL 29 0.391 -10.655 -4.291 191 HG21 VAL 29 HG21 VAL 29 0.457 -11.232 -1.798 192 HG22 VAL 29 HG22 VAL 29 -1.301 -11.090 -1.827 193 HG23 VAL 29 HG23 VAL 29 -0.360 -10.154 -0.665 194 H PHE 30 HN PHE 30 0.119 -6.307 -2.284 195 HA PHE 30 HA PHE 30 1.070 -5.478 -4.953 196 HB2 PHE 30 HB2 PHE 30 -1.513 -4.584 -3.645 197 HB3 PHE 30 HB1 PHE 30 -0.949 -4.158 -5.256 198 HD1 PHE 30 HD1 PHE 30 -0.602 -6.187 -6.894 199 HD2 PHE 30 HD2 PHE 30 -3.020 -6.287 -3.388 200 HE1 PHE 30 HE1 PHE 30 -1.866 -8.079 -7.818 201 HE2 PHE 30 HE2 PHE 30 -4.280 -8.187 -4.306 202 HZ PHE 30 HZ PHE 30 -3.704 -9.085 -6.526 203 H HIS 31 HN HIS 31 2.750 -4.974 -2.969 204 HA HIS 31 HA HIS 31 2.261 -2.908 -1.196 205 HB2 HIS 31 HB2 HIS 31 4.235 -4.397 -1.126 206 HB3 HIS 31 HB1 HIS 31 4.903 -3.552 -2.519 207 HD1 HIS 31 HD1 HIS 31 3.729 -2.593 1.004 208 HD2 HIS 31 HD2 HIS 31 6.633 -1.630 -1.810 209 HE1 HIS 31 HE1 HIS 31 5.251 -0.888 2.100 210 H GLU 32 HN GLU 32 3.570 -2.676 -4.485 211 HA GLU 32 HA GLU 32 4.198 0.090 -4.300 212 HB2 GLU 32 HB2 GLU 32 3.736 -1.630 -6.742 213 HB3 GLU 32 HB1 GLU 32 4.459 -0.029 -6.752 214 HG2 GLU 32 HG2 GLU 32 6.337 -0.833 -5.459 215 HG3 GLU 32 HG1 GLU 32 5.603 -2.431 -5.343 216 H ASP 33 HN ASP 33 1.419 -1.701 -5.463 217 HA ASP 33 HA ASP 33 0.090 0.631 -6.500 218 HB2 ASP 33 HB2 ASP 33 -0.757 -2.236 -6.135 219 HB3 ASP 33 HB1 ASP 33 -1.883 -1.000 -6.683 220 H CYS 34 HN CYS 34 0.214 -1.040 -3.482 221 HA CYS 34 HA CYS 34 -2.263 -0.013 -2.470 222 HB2 CYS 34 HB2 CYS 34 0.031 -1.559 -1.318 223 HB3 CYS 34 HB1 CYS 34 -1.150 -0.816 -0.236 224 H HIS 35 HN HIS 35 0.636 1.462 -3.060 225 HA HIS 35 HA HIS 35 0.288 3.454 -0.947 226 HB2 HIS 35 HB2 HIS 35 2.379 3.048 -3.078 227 HB3 HIS 35 HB1 HIS 35 2.293 4.525 -2.116 228 HD1 HIS 35 HD1 HIS 35 2.994 4.334 0.397 229 HD2 HIS 35 HD2 HIS 35 3.223 0.781 -1.737 230 HE1 HIS 35 HE1 HIS 35 4.281 2.713 1.853 231 H ILE 36 HN ILE 36 -1.004 2.763 -3.868 232 HA ILE 36 HA ILE 36 -1.388 5.582 -4.617 233 HB ILE 36 HB ILE 36 -1.378 3.170 -6.445 234 HG12 ILE 36 HG12 ILE 36 0.690 5.360 -6.132 235 HG13 ILE 36 HG11 ILE 36 0.865 3.705 -5.562 236 HG21 ILE 36 HG21 ILE 36 -1.511 6.110 -7.112 237 HG22 ILE 36 HG22 ILE 36 -2.848 4.966 -7.220 238 HG23 ILE 36 HG23 ILE 36 -1.444 4.784 -8.270 239 HD11 ILE 36 HD11 ILE 36 2.075 4.046 -7.629 240 HD12 ILE 36 HD12 ILE 36 0.594 4.565 -8.433 241 HD13 ILE 36 HD13 ILE 36 0.756 2.903 -7.867 242 HA PRO 37 HA PRO 37 -2.592 6.804 -5.579 243 HB2 PRO 37 HB2 PRO 37 -4.978 8.270 -4.974 244 HB3 PRO 37 HB1 PRO 37 -4.355 7.836 -6.571 245 HG2 PRO 37 HG2 PRO 37 -6.690 6.845 -5.473 246 HG3 PRO 37 HG1 PRO 37 -5.758 6.043 -6.753 247 HD2 PRO 37 HD2 PRO 37 -5.771 5.512 -3.796 248 HD3 PRO 37 HD1 PRO 37 -5.735 4.354 -5.151 249 HA PRO 38 HA PRO 38 -1.440 8.132 -1.464 250 HB2 PRO 38 HB2 PRO 38 -0.268 10.499 -2.263 251 HB3 PRO 38 HB1 PRO 38 0.543 8.931 -2.261 252 HG2 PRO 38 HG2 PRO 38 -0.739 10.405 -4.524 253 HG3 PRO 38 HG1 PRO 38 0.757 9.449 -4.513 254 HD2 PRO 38 HD2 PRO 38 -1.547 8.479 -5.532 255 HD3 PRO 38 HD1 PRO 38 -0.387 7.431 -4.682 256 H VAL 39 HN VAL 39 -2.166 9.648 0.060 257 HA VAL 39 HA VAL 39 -4.760 10.604 -0.443 258 HB VAL 39 HB VAL 39 -4.089 9.925 1.790 259 HG11 VAL 39 HG11 VAL 39 -2.335 12.368 1.757 260 HG12 VAL 39 HG12 VAL 39 -1.830 10.688 1.919 261 HG13 VAL 39 HG13 VAL 39 -2.747 11.457 3.209 262 HG21 VAL 39 HG21 VAL 39 -4.924 12.818 1.683 263 HG22 VAL 39 HG22 VAL 39 -5.154 11.722 3.046 264 HG23 VAL 39 HG23 VAL 39 -5.994 11.425 1.523 265 H GLU 40 HN GLU 40 -5.379 12.307 -1.505 266 HA GLU 40 HA GLU 40 -3.750 14.747 -1.381 267 HB2 GLU 40 HB2 GLU 40 -3.502 13.605 -3.575 268 HB3 GLU 40 HB1 GLU 40 -5.240 13.722 -3.809 269 HG2 GLU 40 HG2 GLU 40 -5.090 16.150 -3.795 270 HG3 GLU 40 HG1 GLU 40 -3.349 16.048 -3.534 271 H ALA 41 HN ALA 41 -6.925 13.279 -1.658 272 HA ALA 41 HA ALA 41 -8.097 15.835 -0.789 273 HB1 ALA 41 HB1 ALA 41 -10.135 15.263 -2.020 274 HB2 ALA 41 HB2 ALA 41 -9.360 13.796 -2.618 275 HB3 ALA 41 HB3 ALA 41 -8.739 15.376 -3.091 276 H GLU 42 HN GLU 42 -8.534 12.313 -0.798 277 HA GLU 42 HA GLU 42 -9.128 12.213 1.968 278 HB2 GLU 42 HB2 GLU 42 -11.469 11.306 1.673 279 HB3 GLU 42 HB1 GLU 42 -11.282 13.037 1.427 280 HG2 GLU 42 HG2 GLU 42 -11.218 12.646 -1.006 281 HG3 GLU 42 HG1 GLU 42 -11.522 10.935 -0.711 282 H ARG 43 HN ARG 43 -8.098 10.416 2.490 283 HA ARG 43 HA ARG 43 -8.674 7.956 1.042 284 HB2 ARG 43 HB2 ARG 43 -5.933 9.150 1.381 285 HB3 ARG 43 HB1 ARG 43 -6.149 7.415 1.196 286 HG2 ARG 43 HG2 ARG 43 -7.152 9.456 -0.772 287 HG3 ARG 43 HG1 ARG 43 -5.598 8.629 -0.908 288 HD2 ARG 43 HD2 ARG 43 -6.654 6.512 -1.152 289 HD3 ARG 43 HD1 ARG 43 -8.219 7.167 -0.683 290 HE ARG 43 HE ARG 43 -7.177 8.415 -3.034 291 HH11 ARG 43 HH11 ARG 43 -8.848 5.577 -1.846 292 HH12 ARG 43 HH12 ARG 43 -9.678 5.269 -3.345 293 HH21 ARG 43 HH21 ARG 43 -8.286 8.025 -5.012 294 HH22 ARG 43 HH22 ARG 43 -9.341 6.656 -5.142 295 H THR 44 HN THR 44 -8.478 6.102 2.301 296 HA THR 44 HA THR 44 -8.269 6.664 5.176 297 HB THR 44 HB THR 44 -9.666 4.590 5.434 298 HG1 THR 44 HG1 THR 44 -9.171 3.732 3.318 299 HG21 THR 44 HG21 THR 44 -11.770 5.664 4.733 300 HG22 THR 44 HG22 THR 44 -10.850 6.828 3.780 301 HG23 THR 44 HG23 THR 44 -10.692 6.805 5.535 302 HA PRO 45 HA PRO 45 -4.660 3.910 4.689 303 HB2 PRO 45 HB2 PRO 45 -3.859 4.977 7.285 304 HB3 PRO 45 HB1 PRO 45 -3.028 5.087 5.730 305 HG2 PRO 45 HG2 PRO 45 -4.176 7.230 6.939 306 HG3 PRO 45 HG1 PRO 45 -4.043 7.068 5.176 307 HD2 PRO 45 HD2 PRO 45 -6.411 6.582 6.953 308 HD3 PRO 45 HD1 PRO 45 -6.342 7.357 5.351 309 H TRP 46 HN TRP 46 -6.956 4.317 7.255 310 HA TRP 46 HA TRP 46 -6.151 1.822 8.545 311 HB2 TRP 46 HB2 TRP 46 -7.950 2.445 10.217 312 HB3 TRP 46 HB1 TRP 46 -6.602 3.572 10.112 313 HD1 TRP 46 HD1 TRP 46 -10.327 3.269 9.204 314 HE1 TRP 46 HE1 TRP 46 -11.268 5.631 8.821 315 HE3 TRP 46 HE3 TRP 46 -5.967 5.938 9.476 316 HZ2 TRP 46 HZ2 TRP 46 -10.292 8.271 8.653 317 HZ3 TRP 46 HZ3 TRP 46 -6.064 8.382 9.190 318 HH2 TRP 46 HH2 TRP 46 -8.178 9.519 8.785 319 H ASN 47 HN ASN 47 -7.532 2.123 5.867 320 HA ASN 47 HA ASN 47 -9.388 -0.067 6.313 321 HB2 ASN 47 HB2 ASN 47 -10.821 1.973 6.327 322 HB3 ASN 47 HB1 ASN 47 -10.190 2.401 4.742 323 HD21 ASN 47 HD21 ASN 47 -12.146 0.063 6.498 324 HD22 ASN 47 HD22 ASN 47 -12.992 -0.537 5.111 325 H CYS 48 HN CYS 48 -9.317 -1.533 4.618 326 HA CYS 48 HA CYS 48 -7.063 -1.071 2.854 327 HB2 CYS 48 HB2 CYS 48 -7.326 -3.204 4.152 328 HB3 CYS 48 HB1 CYS 48 -8.741 -3.575 3.173 329 H ILE 49 HN ILE 49 -7.279 -0.378 0.833 330 HA ILE 49 HA ILE 49 -9.899 -0.105 -0.307 331 HB ILE 49 HB ILE 49 -8.701 0.907 -2.258 332 HG12 ILE 49 HG12 ILE 49 -6.254 0.714 -0.505 333 HG13 ILE 49 HG11 ILE 49 -6.544 -0.334 -1.890 334 HG21 ILE 49 HG21 ILE 49 -8.032 2.949 -1.023 335 HG22 ILE 49 HG22 ILE 49 -8.175 2.044 0.483 336 HG23 ILE 49 HG23 ILE 49 -9.597 2.310 -0.523 337 HD11 ILE 49 HD11 ILE 49 -6.528 1.613 -3.361 338 HD12 ILE 49 HD12 ILE 49 -5.028 1.494 -2.438 339 HD13 ILE 49 HD13 ILE 49 -6.262 2.664 -1.971 340 H PHE 50 HN PHE 50 -7.269 -2.338 -0.654 341 HA PHE 50 HA PHE 50 -8.181 -3.350 -3.193 342 HB2 PHE 50 HB2 PHE 50 -5.913 -3.989 -1.383 343 HB3 PHE 50 HB1 PHE 50 -6.498 -5.292 -2.420 344 HD1 PHE 50 HD2 PHE 50 -5.270 -1.794 -2.480 345 HD2 PHE 50 HD1 PHE 50 -5.917 -5.378 -4.675 346 HE1 PHE 50 HE2 PHE 50 -4.033 -0.844 -4.377 347 HE2 PHE 50 HE1 PHE 50 -4.678 -4.437 -6.581 348 HZ PHE 50 HZ PHE 50 -3.736 -2.167 -6.438 349 H CYS 51 HN CYS 51 -8.653 -4.148 0.184 350 HA CYS 51 HA CYS 51 -9.761 -6.717 -0.216 351 HB2 CYS 51 HB2 CYS 51 -9.758 -4.726 1.986 352 HB3 CYS 51 HB1 CYS 51 -11.034 -5.936 2.022 353 H ARG 52 HN ARG 52 -11.214 -3.475 -0.173 354 HA ARG 52 HA ARG 52 -13.865 -4.413 -0.590 355 HB2 ARG 52 HB2 ARG 52 -12.890 -1.681 -1.397 356 HB3 ARG 52 HB1 ARG 52 -14.488 -2.150 -0.837 357 HG2 ARG 52 HG2 ARG 52 -13.510 -2.597 1.405 358 HG3 ARG 52 HG1 ARG 52 -11.975 -1.964 0.814 359 HD2 ARG 52 HD2 ARG 52 -14.560 -0.520 1.282 360 HD3 ARG 52 HD1 ARG 52 -12.955 -0.149 1.906 361 HE ARG 52 HE ARG 52 -13.689 0.194 -0.932 362 HH11 ARG 52 HH11 ARG 52 -12.063 1.340 1.967 363 HH12 ARG 52 HH12 ARG 52 -11.594 2.847 1.240 364 HH21 ARG 52 HH21 ARG 52 -13.059 2.163 -1.867 365 HH22 ARG 52 HH22 ARG 52 -12.152 3.311 -0.936 366 H MET 53 HN MET 53 -11.180 -4.250 -2.531 367 HA MET 53 HA MET 53 -10.700 -4.334 -4.759 368 HB2 MET 53 HB2 MET 53 -13.285 -5.888 -4.670 369 HB3 MET 53 HB1 MET 53 -12.224 -5.840 -6.071 370 HG2 MET 53 HG2 MET 53 -10.420 -6.813 -4.721 371 HG3 MET 53 HG1 MET 53 -11.511 -6.886 -3.339 372 HE1 MET 53 HE1 MET 53 -13.606 -8.447 -3.175 373 HE2 MET 53 HE2 MET 53 -14.157 -9.509 -4.470 374 HE3 MET 53 HE3 MET 53 -14.267 -7.760 -4.658 375 H LYS 54 HN LYS 54 -12.132 -1.953 -3.964 376 HA LYS 54 HA LYS 54 -13.745 -1.454 -6.369 377 HB2 LYS 54 HB2 LYS 54 -14.907 -1.175 -4.176 378 HB3 LYS 54 HB1 LYS 54 -13.777 0.113 -3.782 379 HG2 LYS 54 HG2 LYS 54 -15.850 1.057 -4.568 380 HG3 LYS 54 HG1 LYS 54 -14.574 1.376 -5.745 381 HD2 LYS 54 HD2 LYS 54 -15.357 -0.545 -7.077 382 HD3 LYS 54 HD1 LYS 54 -16.665 -0.792 -5.919 383 HE2 LYS 54 HE2 LYS 54 -16.228 1.707 -7.545 384 HE3 LYS 54 HE1 LYS 54 -17.376 0.431 -7.936 385 HZ1 LYS 54 HZ1 LYS 54 -17.424 2.133 -5.507 386 HZ2 LYS 54 HZ2 LYS 54 -18.505 0.876 -5.835 387 HZ3 LYS 54 HZ3 LYS 54 -18.475 2.244 -6.827 388 H GLU 55 HN GLU 55 -10.858 -0.619 -4.730 389 HA GLU 55 HA GLU 55 -10.483 1.698 -6.497 390 HB2 GLU 55 HB2 GLU 55 -8.683 0.918 -4.216 391 HB3 GLU 55 HB1 GLU 55 -8.796 2.471 -5.024 392 HG2 GLU 55 HG2 GLU 55 -10.925 1.268 -3.269 393 HG3 GLU 55 HG1 GLU 55 -9.767 2.498 -2.774 394 H SER 56 HN SER 56 -10.372 -1.177 -7.116 395 HA SER 56 HA SER 56 -7.549 -1.457 -7.889 396 HB2 SER 56 HB2 SER 56 -9.488 -3.729 -7.404 397 HB3 SER 56 HB1 SER 56 -7.737 -3.824 -7.582 398 HG SER 56 HG SER 56 -7.499 -3.289 -5.552 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 7.280 -14.475 -5.578 2 H2 GLY 1 HT2 GLY 1 7.381 -13.927 -7.172 3 H3 GLY 1 HT3 GLY 1 7.644 -15.559 -6.823 4 HA2 GLY 1 HA1 GLY 1 5.455 -15.213 -7.795 5 HA3 GLY 1 HA2 GLY 1 5.365 -15.846 -6.158 6 H ALA 2 HN ALA 2 4.840 -14.393 -4.437 7 HA ALA 2 HA ALA 2 3.881 -11.744 -5.111 8 HB1 ALA 2 HB1 ALA 2 1.605 -12.153 -4.294 9 HB2 ALA 2 HB2 ALA 2 1.980 -13.864 -4.101 10 HB3 ALA 2 HB3 ALA 2 1.966 -13.139 -5.709 11 H MET 3 HN MET 3 5.874 -13.079 -3.343 12 HA MET 3 HA MET 3 4.915 -11.980 -0.791 13 HB2 MET 3 HB2 MET 3 6.289 -14.598 -1.289 14 HB3 MET 3 HB1 MET 3 6.488 -13.774 0.251 15 HG2 MET 3 HG2 MET 3 4.078 -13.813 0.604 16 HG3 MET 3 HG1 MET 3 3.853 -14.600 -0.957 17 HE1 MET 3 HE1 MET 3 3.039 -17.332 1.808 18 HE2 MET 3 HE2 MET 3 2.375 -16.392 0.472 19 HE3 MET 3 HE3 MET 3 2.808 -15.593 1.983 20 H GLY 4 HN GLY 4 6.076 -10.183 -2.076 21 HA2 GLY 4 HA2 GLY 4 8.936 -10.177 -1.961 22 HA3 GLY 4 HA1 GLY 4 7.904 -8.781 -2.239 23 H MET 5 HN MET 5 9.294 -10.860 0.225 24 HA MET 5 HA MET 5 8.470 -9.310 2.448 25 HB2 MET 5 HB2 MET 5 10.269 -10.545 3.673 26 HB3 MET 5 HB1 MET 5 9.126 -11.578 2.828 27 HG2 MET 5 HG2 MET 5 10.742 -11.898 1.026 28 HG3 MET 5 HG1 MET 5 11.883 -10.846 1.859 29 HE1 MET 5 HE1 MET 5 10.473 -14.918 3.510 30 HE2 MET 5 HE2 MET 5 9.839 -14.165 2.048 31 HE3 MET 5 HE3 MET 5 9.489 -13.460 3.625 32 H ARG 6 HN ARG 6 9.160 -7.413 3.126 33 HA ARG 6 HA ARG 6 10.290 -5.455 3.249 34 HB2 ARG 6 HB2 ARG 6 12.612 -7.356 2.991 35 HB3 ARG 6 HB1 ARG 6 12.813 -5.638 3.289 36 HG2 ARG 6 HG2 ARG 6 11.262 -7.495 5.076 37 HG3 ARG 6 HG1 ARG 6 12.953 -7.061 5.318 38 HD2 ARG 6 HD2 ARG 6 11.764 -5.615 6.724 39 HD3 ARG 6 HD1 ARG 6 12.157 -4.639 5.314 40 HE ARG 6 HE ARG 6 9.558 -5.923 5.272 41 HH11 ARG 6 HH11 ARG 6 11.398 -3.030 5.998 42 HH12 ARG 6 HH12 ARG 6 10.006 -1.999 6.018 43 HH21 ARG 6 HH21 ARG 6 7.723 -4.562 5.311 44 HH22 ARG 6 HH22 ARG 6 7.918 -2.868 5.626 45 H ASN 7 HN ASN 7 9.429 -6.406 0.604 46 HA ASN 7 HA ASN 7 11.507 -5.422 -1.174 47 HB2 ASN 7 HB2 ASN 7 10.220 -7.449 -1.810 48 HB3 ASN 7 HB1 ASN 7 8.762 -6.465 -1.884 49 HD21 ASN 7 HD21 ASN 7 11.941 -5.405 -2.918 50 HD22 ASN 7 HD22 ASN 7 11.549 -5.258 -4.597 51 H LEU 8 HN LEU 8 11.382 -3.322 -0.194 52 HA LEU 8 HA LEU 8 9.486 -1.646 -1.644 53 HB2 LEU 8 HB2 LEU 8 9.451 -0.206 0.532 54 HB3 LEU 8 HB1 LEU 8 8.360 -1.564 0.354 55 HG LEU 8 HG LEU 8 10.083 -2.928 1.652 56 HD11 LEU 8 HD11 LEU 8 11.077 -0.178 2.374 57 HD12 LEU 8 HD12 LEU 8 11.960 -1.380 1.434 58 HD13 LEU 8 HD13 LEU 8 11.569 -1.696 3.124 59 HD21 LEU 8 HD21 LEU 8 9.229 -2.120 3.799 60 HD22 LEU 8 HD22 LEU 8 7.956 -2.220 2.583 61 HD23 LEU 8 HD23 LEU 8 8.647 -0.654 3.010 62 H ASP 9 HN ASP 9 12.300 -2.337 -1.916 63 HA ASP 9 HA ASP 9 13.794 -0.004 -1.065 64 HB2 ASP 9 HB2 ASP 9 14.738 -2.373 -1.237 65 HB3 ASP 9 HB1 ASP 9 14.751 -2.128 -2.978 66 H GLU 10 HN GLU 10 12.254 -1.263 -3.899 67 HA GLU 10 HA GLU 10 13.121 1.011 -5.506 68 HB2 GLU 10 HB2 GLU 10 11.983 -0.104 -7.371 69 HB3 GLU 10 HB1 GLU 10 13.137 -1.175 -6.595 70 HG2 GLU 10 HG2 GLU 10 10.183 -1.231 -6.043 71 HG3 GLU 10 HG1 GLU 10 10.973 -2.229 -7.258 72 H CYS 11 HN CYS 11 11.115 0.820 -3.156 73 HA CYS 11 HA CYS 11 8.873 2.197 -4.455 74 HB2 CYS 11 HB2 CYS 11 8.349 0.256 -2.983 75 HB3 CYS 11 HB1 CYS 11 9.081 1.112 -1.635 76 H GLU 12 HN GLU 12 9.772 4.203 -4.734 77 HA GLU 12 HA GLU 12 11.412 5.496 -2.841 78 HB2 GLU 12 HB2 GLU 12 9.853 6.580 -5.180 79 HB3 GLU 12 HB1 GLU 12 10.973 7.538 -4.224 80 HG2 GLU 12 HG2 GLU 12 11.684 5.071 -5.796 81 HG3 GLU 12 HG1 GLU 12 11.988 6.733 -6.290 82 H VAL 13 HN VAL 13 7.971 5.406 -3.326 83 HA VAL 13 HA VAL 13 7.373 7.692 -1.777 84 HB VAL 13 HB VAL 13 5.806 6.820 -3.426 85 HG11 VAL 13 HG11 VAL 13 6.218 4.441 -3.142 86 HG12 VAL 13 HG12 VAL 13 4.503 4.818 -3.017 87 HG13 VAL 13 HG13 VAL 13 5.439 4.491 -1.560 88 HG21 VAL 13 HG21 VAL 13 3.762 6.990 -2.123 89 HG22 VAL 13 HG22 VAL 13 4.952 8.179 -1.586 90 HG23 VAL 13 HG23 VAL 13 4.678 6.715 -0.642 91 H CYS 14 HN CYS 14 8.010 4.349 -0.967 92 HA CYS 14 HA CYS 14 6.980 4.442 1.683 93 HB2 CYS 14 HB2 CYS 14 8.632 2.609 0.117 94 HB3 CYS 14 HB1 CYS 14 9.107 2.686 1.810 95 H ARG 15 HN ARG 15 10.020 5.241 0.203 96 HA ARG 15 HA ARG 15 11.456 5.736 2.606 97 HB2 ARG 15 HB2 ARG 15 11.988 6.788 -0.173 98 HB3 ARG 15 HB1 ARG 15 13.147 6.699 1.148 99 HG2 ARG 15 HG2 ARG 15 13.154 4.324 1.090 100 HG3 ARG 15 HG1 ARG 15 11.793 4.290 -0.031 101 HD2 ARG 15 HD2 ARG 15 13.779 3.847 -1.275 102 HD3 ARG 15 HD1 ARG 15 13.234 5.471 -1.690 103 HE ARG 15 HE ARG 15 15.094 5.599 0.421 104 HH11 ARG 15 HH11 ARG 15 14.898 5.031 -3.031 105 HH12 ARG 15 HH12 ARG 15 16.558 5.475 -3.317 106 HH21 ARG 15 HH21 ARG 15 17.259 6.216 0.032 107 HH22 ARG 15 HH22 ARG 15 17.892 6.143 -1.582 108 H ASP 16 HN ASP 16 9.460 7.618 0.483 109 HA ASP 16 HA ASP 16 9.953 10.162 1.626 110 HB2 ASP 16 HB2 ASP 16 8.963 9.990 -0.570 111 HB3 ASP 16 HB1 ASP 16 7.602 9.074 0.061 112 H GLY 17 HN GLY 17 8.347 7.458 2.835 113 HA2 GLY 17 HA2 GLY 17 7.353 7.270 4.955 114 HA3 GLY 17 HA1 GLY 17 7.181 9.021 5.004 115 H GLY 18 HN GLY 18 6.193 7.259 2.203 116 HA2 GLY 18 HA2 GLY 18 3.599 8.314 2.204 117 HA3 GLY 18 HA1 GLY 18 4.165 6.996 1.200 118 H GLU 19 HN GLU 19 1.606 7.411 2.508 119 HA GLU 19 HA GLU 19 1.548 5.360 4.573 120 HB2 GLU 19 HB2 GLU 19 -0.606 7.213 3.547 121 HB3 GLU 19 HB1 GLU 19 -0.799 6.097 4.893 122 HG2 GLU 19 HG2 GLU 19 1.011 7.302 6.081 123 HG3 GLU 19 HG1 GLU 19 1.070 8.452 4.749 124 H LEU 20 HN LEU 20 0.656 3.418 4.326 125 HA LEU 20 HA LEU 20 -0.024 2.543 1.656 126 HB2 LEU 20 HB2 LEU 20 0.422 1.200 4.292 127 HB3 LEU 20 HB1 LEU 20 -0.407 0.335 3.013 128 HG LEU 20 HG LEU 20 2.308 1.574 2.591 129 HD11 LEU 20 HD11 LEU 20 1.619 -1.157 3.658 130 HD12 LEU 20 HD12 LEU 20 2.620 0.076 4.423 131 HD13 LEU 20 HD13 LEU 20 3.186 -0.739 2.966 132 HD21 LEU 20 HD21 LEU 20 1.111 0.987 0.571 133 HD22 LEU 20 HD22 LEU 20 0.764 -0.619 1.207 134 HD23 LEU 20 HD23 LEU 20 2.421 -0.164 0.831 135 H PHE 21 HN PHE 21 -2.037 2.034 0.924 136 HA PHE 21 HA PHE 21 -4.260 2.629 2.763 137 HB2 PHE 21 HB2 PHE 21 -4.343 2.594 -0.270 138 HB3 PHE 21 HB1 PHE 21 -5.554 3.268 0.827 139 HD1 PHE 21 HD1 PHE 21 -4.627 5.141 2.452 140 HD2 PHE 21 HD2 PHE 21 -2.831 4.039 -1.252 141 HE1 PHE 21 HE1 PHE 21 -3.554 7.349 2.313 142 HE2 PHE 21 HE2 PHE 21 -1.752 6.238 -1.386 143 HZ PHE 21 HZ PHE 21 -1.966 7.828 0.479 144 H CYS 22 HN CYS 22 -2.892 0.171 2.744 145 HA CYS 22 HA CYS 22 -5.064 -1.646 2.017 146 HB2 CYS 22 HB2 CYS 22 -2.162 -1.892 1.253 147 HB3 CYS 22 HB1 CYS 22 -3.189 -3.315 1.397 148 H CYS 23 HN CYS 23 -4.874 -3.729 3.148 149 HA CYS 23 HA CYS 23 -3.918 -3.350 5.862 150 HB2 CYS 23 HB2 CYS 23 -5.180 -5.293 6.417 151 HB3 CYS 23 HB1 CYS 23 -6.162 -4.424 5.238 152 H ASP 24 HN ASP 24 -2.780 -5.394 6.822 153 HA ASP 24 HA ASP 24 -0.209 -5.424 5.847 154 HB2 ASP 24 HB2 ASP 24 -1.698 -7.202 7.708 155 HB3 ASP 24 HB1 ASP 24 -0.139 -7.760 7.114 156 H THR 25 HN THR 25 -2.637 -7.973 5.330 157 HA THR 25 HA THR 25 -1.001 -9.698 3.873 158 HB THR 25 HB THR 25 -3.987 -9.349 3.590 159 HG1 THR 25 HG1 THR 25 -2.856 -11.352 5.183 160 HG21 THR 25 HG21 THR 25 -3.021 -10.736 1.820 161 HG22 THR 25 HG22 THR 25 -3.968 -11.718 2.937 162 HG23 THR 25 HG23 THR 25 -2.207 -11.726 3.030 163 H CYS 26 HN CYS 26 -3.235 -7.188 2.652 164 HA CYS 26 HA CYS 26 -2.664 -7.815 -0.072 165 HB2 CYS 26 HB2 CYS 26 -3.972 -5.347 1.070 166 HB3 CYS 26 HB1 CYS 26 -3.997 -5.829 -0.617 167 H SER 27 HN SER 27 -1.420 -5.439 2.214 168 HA SER 27 HA SER 27 -0.133 -3.752 0.371 169 HB2 SER 27 HB2 SER 27 0.573 -4.352 3.249 170 HB3 SER 27 HB1 SER 27 1.218 -3.010 2.309 171 HG SER 27 HG SER 27 -0.759 -2.733 3.753 172 H ARG 28 HN ARG 28 0.799 -6.812 1.744 173 HA ARG 28 HA ARG 28 3.537 -6.574 0.898 174 HB2 ARG 28 HB2 ARG 28 2.003 -8.964 1.926 175 HB3 ARG 28 HB1 ARG 28 3.753 -8.854 1.765 176 HG2 ARG 28 HG2 ARG 28 3.853 -7.139 3.440 177 HG3 ARG 28 HG1 ARG 28 2.094 -7.059 3.517 178 HD2 ARG 28 HD2 ARG 28 2.140 -9.484 4.228 179 HD3 ARG 28 HD1 ARG 28 3.886 -9.310 4.402 180 HE ARG 28 HE ARG 28 2.230 -7.387 5.828 181 HH11 ARG 28 HH11 ARG 28 4.167 -10.293 5.945 182 HH12 ARG 28 HH12 ARG 28 4.287 -10.303 7.671 183 HH21 ARG 28 HH21 ARG 28 2.365 -7.391 8.113 184 HH22 ARG 28 HH22 ARG 28 3.276 -8.642 8.906 185 H VAL 29 HN VAL 29 0.577 -7.694 -0.449 186 HA VAL 29 HA VAL 29 1.902 -9.317 -2.467 187 HB VAL 29 HB VAL 29 -1.040 -8.796 -2.014 188 HG11 VAL 29 HG11 VAL 29 -0.599 -9.329 -4.345 189 HG12 VAL 29 HG12 VAL 29 -1.405 -10.678 -3.544 190 HG13 VAL 29 HG13 VAL 29 0.327 -10.746 -3.857 191 HG21 VAL 29 HG21 VAL 29 0.690 -11.166 -1.336 192 HG22 VAL 29 HG22 VAL 29 -1.069 -11.125 -1.204 193 HG23 VAL 29 HG23 VAL 29 -0.084 -10.064 -0.198 194 H PHE 30 HN PHE 30 -0.083 -6.372 -2.260 195 HA PHE 30 HA PHE 30 0.704 -5.754 -5.043 196 HB2 PHE 30 HB2 PHE 30 -1.785 -4.767 -3.618 197 HB3 PHE 30 HB1 PHE 30 -1.366 -4.507 -5.308 198 HD1 PHE 30 HD1 PHE 30 -1.194 -6.631 -6.796 199 HD2 PHE 30 HD2 PHE 30 -3.130 -6.519 -3.006 200 HE1 PHE 30 HE1 PHE 30 -2.478 -8.640 -7.393 201 HE2 PHE 30 HE2 PHE 30 -4.410 -8.530 -3.592 202 HZ PHE 30 HZ PHE 30 -4.088 -9.593 -5.789 203 H HIS 31 HN HIS 31 2.514 -5.078 -3.273 204 HA HIS 31 HA HIS 31 2.175 -2.944 -1.560 205 HB2 HIS 31 HB2 HIS 31 4.149 -4.446 -1.679 206 HB3 HIS 31 HB1 HIS 31 4.668 -3.600 -3.131 207 HD1 HIS 31 HD1 HIS 31 3.927 -2.734 0.518 208 HD2 HIS 31 HD2 HIS 31 6.388 -1.606 -2.632 209 HE1 HIS 31 HE1 HIS 31 5.575 -1.059 1.468 210 H GLU 32 HN GLU 32 3.149 -2.823 -4.977 211 HA GLU 32 HA GLU 32 3.737 -0.033 -4.900 212 HB2 GLU 32 HB2 GLU 32 3.291 -1.901 -7.226 213 HB3 GLU 32 HB1 GLU 32 3.820 -0.235 -7.389 214 HG2 GLU 32 HG2 GLU 32 5.836 -0.749 -6.108 215 HG3 GLU 32 HG1 GLU 32 5.306 -2.424 -5.954 216 H ASP 33 HN ASP 33 0.963 -1.954 -5.849 217 HA ASP 33 HA ASP 33 -0.513 0.261 -6.909 218 HB2 ASP 33 HB2 ASP 33 -1.300 -2.547 -6.144 219 HB3 ASP 33 HB1 ASP 33 -2.468 -1.373 -6.739 220 H CYS 34 HN CYS 34 -0.004 -1.103 -3.794 221 HA CYS 34 HA CYS 34 -2.367 0.044 -2.613 222 HB2 CYS 34 HB2 CYS 34 -0.004 -1.485 -1.561 223 HB3 CYS 34 HB1 CYS 34 -1.146 -0.711 -0.458 224 H HIS 35 HN HIS 35 0.546 1.332 -3.556 225 HA HIS 35 HA HIS 35 0.383 3.513 -1.595 226 HB2 HIS 35 HB2 HIS 35 2.431 2.815 -3.699 227 HB3 HIS 35 HB1 HIS 35 2.449 4.348 -2.831 228 HD1 HIS 35 HD1 HIS 35 3.030 4.233 -0.248 229 HD2 HIS 35 HD2 HIS 35 3.305 0.624 -2.298 230 HE1 HIS 35 HE1 HIS 35 4.324 2.652 1.251 231 H ILE 36 HN ILE 36 -1.256 2.698 -4.156 232 HA ILE 36 HA ILE 36 -1.419 5.415 -5.271 233 HB ILE 36 HB ILE 36 -1.787 2.806 -6.760 234 HG12 ILE 36 HG12 ILE 36 0.415 4.874 -6.956 235 HG13 ILE 36 HG11 ILE 36 0.568 3.279 -6.230 236 HG21 ILE 36 HG21 ILE 36 -3.251 4.580 -7.592 237 HG22 ILE 36 HG22 ILE 36 -2.000 4.170 -8.764 238 HG23 ILE 36 HG23 ILE 36 -1.854 5.637 -7.796 239 HD11 ILE 36 HD11 ILE 36 0.153 2.249 -8.402 240 HD12 ILE 36 HD12 ILE 36 1.536 3.340 -8.456 241 HD13 ILE 36 HD13 ILE 36 -0.013 3.846 -9.127 242 HA PRO 37 HA PRO 37 -2.630 6.689 -6.198 243 HB2 PRO 37 HB2 PRO 37 -4.754 8.427 -5.340 244 HB3 PRO 37 HB1 PRO 37 -4.400 7.880 -6.986 245 HG2 PRO 37 HG2 PRO 37 -6.648 7.166 -5.549 246 HG3 PRO 37 HG1 PRO 37 -5.975 6.229 -6.896 247 HD2 PRO 37 HD2 PRO 37 -5.667 5.803 -3.943 248 HD3 PRO 37 HD1 PRO 37 -5.895 4.604 -5.240 249 HA PRO 38 HA PRO 38 -0.802 8.188 -2.413 250 HB2 PRO 38 HB2 PRO 38 0.351 10.449 -3.490 251 HB3 PRO 38 HB1 PRO 38 1.073 8.838 -3.540 252 HG2 PRO 38 HG2 PRO 38 -0.456 10.305 -5.647 253 HG3 PRO 38 HG1 PRO 38 0.961 9.250 -5.820 254 HD2 PRO 38 HD2 PRO 38 -1.543 8.409 -6.420 255 HD3 PRO 38 HD1 PRO 38 -0.317 7.312 -5.746 256 H VAL 39 HN VAL 39 -1.409 9.598 -0.845 257 HA VAL 39 HA VAL 39 -3.950 10.658 -0.970 258 HB VAL 39 HB VAL 39 -2.906 10.068 1.132 259 HG11 VAL 39 HG11 VAL 39 -1.305 11.566 2.234 260 HG12 VAL 39 HG12 VAL 39 -1.204 12.521 0.755 261 HG13 VAL 39 HG13 VAL 39 -0.650 10.847 0.764 262 HG21 VAL 39 HG21 VAL 39 -3.704 11.946 2.482 263 HG22 VAL 39 HG22 VAL 39 -4.820 11.558 1.173 264 HG23 VAL 39 HG23 VAL 39 -3.754 12.955 1.037 265 H GLU 40 HN GLU 40 -4.764 12.306 -1.983 266 HA GLU 40 HA GLU 40 -3.342 14.851 -2.042 267 HB2 GLU 40 HB2 GLU 40 -2.850 13.543 -4.165 268 HB3 GLU 40 HB1 GLU 40 -4.558 13.695 -4.553 269 HG2 GLU 40 HG2 GLU 40 -3.321 15.388 -5.713 270 HG3 GLU 40 HG1 GLU 40 -4.327 16.144 -4.475 271 H ALA 41 HN ALA 41 -6.293 13.064 -2.859 272 HA ALA 41 HA ALA 41 -7.878 15.465 -2.301 273 HB1 ALA 41 HB1 ALA 41 -8.716 12.846 -3.543 274 HB2 ALA 41 HB2 ALA 41 -8.362 14.338 -4.414 275 HB3 ALA 41 HB3 ALA 41 -9.747 14.260 -3.324 276 H GLU 42 HN GLU 42 -8.410 11.993 -1.764 277 HA GLU 42 HA GLU 42 -8.532 12.361 1.087 278 HB2 GLU 42 HB2 GLU 42 -10.828 11.374 1.255 279 HB3 GLU 42 HB1 GLU 42 -10.778 13.006 0.604 280 HG2 GLU 42 HG2 GLU 42 -11.117 12.203 -1.616 281 HG3 GLU 42 HG1 GLU 42 -10.947 10.529 -1.087 282 H ARG 43 HN ARG 43 -7.739 10.603 2.045 283 HA ARG 43 HA ARG 43 -8.017 7.985 0.767 284 HB2 ARG 43 HB2 ARG 43 -5.404 9.284 1.537 285 HB3 ARG 43 HB1 ARG 43 -5.571 7.555 1.295 286 HG2 ARG 43 HG2 ARG 43 -6.244 9.566 -0.829 287 HG3 ARG 43 HG1 ARG 43 -4.631 8.884 -0.628 288 HD2 ARG 43 HD2 ARG 43 -5.640 7.554 -2.276 289 HD3 ARG 43 HD1 ARG 43 -5.758 6.601 -0.799 290 HE ARG 43 HE ARG 43 -8.084 8.211 -1.265 291 HH11 ARG 43 HH11 ARG 43 -6.503 5.189 -2.063 292 HH12 ARG 43 HH12 ARG 43 -7.965 4.403 -2.564 293 HH21 ARG 43 HH21 ARG 43 -10.014 7.175 -1.918 294 HH22 ARG 43 HH22 ARG 43 -9.969 5.528 -2.458 295 H THR 44 HN THR 44 -8.156 6.318 2.219 296 HA THR 44 HA THR 44 -7.881 7.035 5.061 297 HB THR 44 HB THR 44 -9.418 5.096 5.487 298 HG1 THR 44 HG1 THR 44 -9.019 4.099 3.389 299 HG21 THR 44 HG21 THR 44 -11.464 6.264 4.768 300 HG22 THR 44 HG22 THR 44 -10.495 7.292 3.713 301 HG23 THR 44 HG23 THR 44 -10.286 7.378 5.462 302 HA PRO 45 HA PRO 45 -4.393 4.180 4.395 303 HB2 PRO 45 HB2 PRO 45 -3.465 5.186 6.984 304 HB3 PRO 45 HB1 PRO 45 -2.682 5.272 5.404 305 HG2 PRO 45 HG2 PRO 45 -3.715 7.451 6.634 306 HG3 PRO 45 HG1 PRO 45 -3.682 7.275 4.869 307 HD2 PRO 45 HD2 PRO 45 -5.962 6.872 6.777 308 HD3 PRO 45 HD1 PRO 45 -5.958 7.623 5.164 309 H TRP 46 HN TRP 46 -6.544 4.471 7.111 310 HA TRP 46 HA TRP 46 -5.633 1.932 8.238 311 HB2 TRP 46 HB2 TRP 46 -7.277 2.435 10.059 312 HB3 TRP 46 HB1 TRP 46 -6.049 3.682 9.862 313 HD1 TRP 46 HD1 TRP 46 -9.790 3.051 9.322 314 HE1 TRP 46 HE1 TRP 46 -10.978 5.309 9.034 315 HE3 TRP 46 HE3 TRP 46 -5.692 6.113 9.145 316 HZ2 TRP 46 HZ2 TRP 46 -10.278 8.024 8.774 317 HZ3 TRP 46 HZ3 TRP 46 -6.047 8.534 8.875 318 HH2 TRP 46 HH2 TRP 46 -8.287 9.465 8.691 319 H ASN 47 HN ASN 47 -7.081 2.243 5.641 320 HA ASN 47 HA ASN 47 -9.164 0.254 6.135 321 HB2 ASN 47 HB2 ASN 47 -10.204 2.572 6.037 322 HB3 ASN 47 HB1 ASN 47 -9.634 2.676 4.376 323 HD21 ASN 47 HD21 ASN 47 -10.946 -0.185 5.983 324 HD22 ASN 47 HD22 ASN 47 -12.360 -0.306 4.992 325 H CYS 48 HN CYS 48 -9.202 -1.300 4.505 326 HA CYS 48 HA CYS 48 -6.982 -1.044 2.634 327 HB2 CYS 48 HB2 CYS 48 -7.214 -3.070 4.121 328 HB3 CYS 48 HB1 CYS 48 -8.657 -3.503 3.208 329 H ILE 49 HN ILE 49 -7.299 -0.514 0.582 330 HA ILE 49 HA ILE 49 -9.970 -0.479 -0.509 331 HB ILE 49 HB ILE 49 -8.858 0.435 -2.575 332 HG12 ILE 49 HG12 ILE 49 -6.407 0.576 -0.816 333 HG13 ILE 49 HG11 ILE 49 -6.614 -0.581 -2.127 334 HG21 ILE 49 HG21 ILE 49 -9.864 1.910 -0.942 335 HG22 ILE 49 HG22 ILE 49 -8.384 2.633 -1.569 336 HG23 ILE 49 HG23 ILE 49 -8.392 1.886 0.027 337 HD11 ILE 49 HD11 ILE 49 -6.739 1.257 -3.724 338 HD12 ILE 49 HD12 ILE 49 -5.237 1.313 -2.799 339 HD13 ILE 49 HD13 ILE 49 -6.557 2.417 -2.410 340 H PHE 50 HN PHE 50 -7.212 -2.556 -0.673 341 HA PHE 50 HA PHE 50 -7.987 -3.714 -3.196 342 HB2 PHE 50 HB2 PHE 50 -5.618 -3.908 -1.494 343 HB3 PHE 50 HB1 PHE 50 -6.095 -5.441 -2.233 344 HD1 PHE 50 HD1 PHE 50 -6.084 -5.733 -4.623 345 HD2 PHE 50 HD2 PHE 50 -4.930 -2.025 -2.882 346 HE1 PHE 50 HE1 PHE 50 -5.150 -5.013 -6.779 347 HE2 PHE 50 HE2 PHE 50 -3.995 -1.302 -5.031 348 HZ PHE 50 HZ PHE 50 -4.104 -2.795 -6.986 349 H CYS 51 HN CYS 51 -8.496 -4.429 0.166 350 HA CYS 51 HA CYS 51 -9.142 -7.146 -0.029 351 HB2 CYS 51 HB2 CYS 51 -9.691 -4.976 1.887 352 HB3 CYS 51 HB1 CYS 51 -10.843 -6.306 1.917 353 H ARG 52 HN ARG 52 -10.965 -4.333 -0.989 354 HA ARG 52 HA ARG 52 -13.390 -5.910 -1.313 355 HB2 ARG 52 HB2 ARG 52 -14.499 -3.853 -1.874 356 HB3 ARG 52 HB1 ARG 52 -13.513 -3.580 -0.445 357 HG2 ARG 52 HG2 ARG 52 -11.752 -2.645 -1.994 358 HG3 ARG 52 HG1 ARG 52 -12.982 -2.680 -3.258 359 HD2 ARG 52 HD2 ARG 52 -12.881 -0.478 -2.246 360 HD3 ARG 52 HD1 ARG 52 -14.422 -1.249 -1.868 361 HE ARG 52 HE ARG 52 -13.271 -1.860 0.323 362 HH11 ARG 52 HH11 ARG 52 -12.584 1.063 -1.477 363 HH12 ARG 52 HH12 ARG 52 -12.090 1.954 -0.073 364 HH21 ARG 52 HH21 ARG 52 -12.634 -0.678 2.163 365 HH22 ARG 52 HH22 ARG 52 -12.107 0.966 1.992 366 H MET 53 HN MET 53 -10.648 -5.667 -2.960 367 HA MET 53 HA MET 53 -11.915 -5.725 -5.618 368 HB2 MET 53 HB2 MET 53 -9.021 -5.227 -4.878 369 HB3 MET 53 HB1 MET 53 -9.666 -5.248 -6.510 370 HG2 MET 53 HG2 MET 53 -11.030 -3.304 -6.022 371 HG3 MET 53 HG1 MET 53 -10.447 -3.294 -4.358 372 HE1 MET 53 HE1 MET 53 -9.683 -0.779 -4.511 373 HE2 MET 53 HE2 MET 53 -10.327 -0.711 -6.153 374 HE3 MET 53 HE3 MET 53 -8.694 -0.133 -5.820 375 H LYS 54 HN LYS 54 -11.884 -7.885 -3.707 376 HA LYS 54 HA LYS 54 -9.845 -9.750 -4.185 377 HB2 LYS 54 HB2 LYS 54 -11.396 -9.873 -2.257 378 HB3 LYS 54 HB1 LYS 54 -12.715 -10.245 -3.357 379 HG2 LYS 54 HG2 LYS 54 -11.583 -12.321 -4.007 380 HG3 LYS 54 HG1 LYS 54 -10.288 -11.962 -2.865 381 HD2 LYS 54 HD2 LYS 54 -11.929 -11.975 -1.031 382 HD3 LYS 54 HD1 LYS 54 -13.195 -12.392 -2.185 383 HE2 LYS 54 HE2 LYS 54 -10.752 -14.050 -1.565 384 HE3 LYS 54 HE1 LYS 54 -12.384 -14.360 -0.979 385 HZ1 LYS 54 HZ1 LYS 54 -11.992 -15.758 -2.840 386 HZ2 LYS 54 HZ2 LYS 54 -11.433 -14.478 -3.790 387 HZ3 LYS 54 HZ3 LYS 54 -13.066 -14.558 -3.353 388 H GLU 55 HN GLU 55 -9.447 -11.045 -5.850 389 HA GLU 55 HA GLU 55 -11.607 -11.734 -7.701 390 HB2 GLU 55 HB2 GLU 55 -10.474 -9.797 -8.673 391 HB3 GLU 55 HB1 GLU 55 -8.925 -10.614 -8.531 392 HG2 GLU 55 HG2 GLU 55 -9.649 -12.298 -10.124 393 HG3 GLU 55 HG1 GLU 55 -11.230 -11.527 -10.235 394 H SER 56 HN SER 56 -11.665 -13.857 -7.295 395 HA SER 56 HA SER 56 -9.133 -15.347 -7.427 396 HB2 SER 56 HB2 SER 56 -11.590 -16.115 -5.830 397 HB3 SER 56 HB1 SER 56 -10.014 -16.906 -5.803 398 HG SER 56 HG SER 56 -9.133 -15.045 -4.879 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 11.046 -10.553 -1.301 2 H2 GLY 1 HT2 GLY 1 10.254 -9.352 -0.414 3 H3 GLY 1 HT3 GLY 1 10.629 -10.829 0.312 4 HA2 GLY 1 HA1 GLY 1 12.614 -8.858 -0.664 5 HA3 GLY 1 HA2 GLY 1 12.146 -9.070 1.019 6 H ALA 2 HN ALA 2 14.782 -9.325 0.221 7 HA ALA 2 HA ALA 2 15.547 -11.993 -0.330 8 HB1 ALA 2 HB1 ALA 2 17.052 -10.124 -0.737 9 HB2 ALA 2 HB2 ALA 2 17.789 -11.277 0.376 10 HB3 ALA 2 HB3 ALA 2 17.106 -9.773 0.990 11 H MET 3 HN MET 3 15.016 -10.183 2.623 12 HA MET 3 HA MET 3 14.650 -12.625 4.103 13 HB2 MET 3 HB2 MET 3 17.128 -12.228 4.185 14 HB3 MET 3 HB1 MET 3 16.806 -10.705 5.002 15 HG2 MET 3 HG2 MET 3 17.414 -12.443 6.586 16 HG3 MET 3 HG1 MET 3 15.757 -11.900 6.849 17 HE1 MET 3 HE1 MET 3 15.253 -14.026 8.331 18 HE2 MET 3 HE2 MET 3 16.912 -14.582 8.101 19 HE3 MET 3 HE3 MET 3 15.564 -15.682 7.812 20 H GLY 4 HN GLY 4 12.540 -11.680 4.188 21 HA2 GLY 4 HA2 GLY 4 11.682 -10.561 6.453 22 HA3 GLY 4 HA1 GLY 4 12.224 -9.144 5.565 23 H MET 5 HN MET 5 9.686 -9.046 6.174 24 HA MET 5 HA MET 5 8.280 -9.828 3.708 25 HB2 MET 5 HB2 MET 5 7.214 -9.803 6.538 26 HB3 MET 5 HB1 MET 5 6.199 -9.982 5.112 27 HG2 MET 5 HG2 MET 5 7.364 -12.043 4.528 28 HG3 MET 5 HG1 MET 5 8.410 -11.860 5.933 29 HE1 MET 5 HE1 MET 5 6.447 -10.852 8.191 30 HE2 MET 5 HE2 MET 5 7.625 -12.143 8.422 31 HE3 MET 5 HE3 MET 5 5.947 -12.383 8.906 32 H ARG 6 HN ARG 6 9.675 -7.411 4.162 33 HA ARG 6 HA ARG 6 7.462 -5.518 3.866 34 HB2 ARG 6 HB2 ARG 6 8.355 -5.465 6.240 35 HB3 ARG 6 HB1 ARG 6 9.881 -4.913 5.568 36 HG2 ARG 6 HG2 ARG 6 8.664 -3.029 6.400 37 HG3 ARG 6 HG1 ARG 6 8.718 -2.941 4.640 38 HD2 ARG 6 HD2 ARG 6 6.451 -3.743 4.479 39 HD3 ARG 6 HD1 ARG 6 6.389 -4.031 6.217 40 HE ARG 6 HE ARG 6 6.991 -1.307 5.606 41 HH11 ARG 6 HH11 ARG 6 4.357 -3.608 5.846 42 HH12 ARG 6 HH12 ARG 6 3.177 -2.400 6.223 43 HH21 ARG 6 HH21 ARG 6 5.430 0.280 6.077 44 HH22 ARG 6 HH22 ARG 6 3.777 -0.182 6.334 45 H ASN 7 HN ASN 7 8.386 -6.241 1.668 46 HA ASN 7 HA ASN 7 10.904 -5.101 0.883 47 HB2 ASN 7 HB2 ASN 7 10.057 -7.135 -0.201 48 HB3 ASN 7 HB1 ASN 7 8.669 -6.241 -0.810 49 HD21 ASN 7 HD21 ASN 7 11.973 -4.999 -0.710 50 HD22 ASN 7 HD22 ASN 7 12.188 -4.966 -2.427 51 H LEU 8 HN LEU 8 10.748 -2.943 1.349 52 HA LEU 8 HA LEU 8 8.984 -1.399 -0.426 53 HB2 LEU 8 HB2 LEU 8 9.360 0.467 1.278 54 HB3 LEU 8 HB1 LEU 8 8.280 -0.837 1.726 55 HG LEU 8 HG LEU 8 10.247 -1.859 2.978 56 HD11 LEU 8 HD11 LEU 8 12.034 -0.573 1.918 57 HD12 LEU 8 HD12 LEU 8 12.025 -0.352 3.667 58 HD13 LEU 8 HD13 LEU 8 11.381 0.908 2.616 59 HD21 LEU 8 HD21 LEU 8 9.190 0.810 3.890 60 HD22 LEU 8 HD22 LEU 8 9.895 -0.436 4.921 61 HD23 LEU 8 HD23 LEU 8 8.377 -0.744 4.074 62 H ASP 9 HN ASP 9 11.771 -2.559 -0.606 63 HA ASP 9 HA ASP 9 13.655 -0.448 -0.485 64 HB2 ASP 9 HB2 ASP 9 13.879 -3.020 -2.056 65 HB3 ASP 9 HB1 ASP 9 15.198 -2.029 -1.442 66 H GLU 10 HN GLU 10 11.681 -1.812 -3.014 67 HA GLU 10 HA GLU 10 12.809 0.009 -4.999 68 HB2 GLU 10 HB2 GLU 10 10.719 -2.154 -5.269 69 HB3 GLU 10 HB1 GLU 10 11.374 -1.208 -6.599 70 HG2 GLU 10 HG2 GLU 10 13.563 -2.133 -6.246 71 HG3 GLU 10 HG1 GLU 10 13.008 -2.984 -4.806 72 H CYS 11 HN CYS 11 10.773 0.420 -2.633 73 HA CYS 11 HA CYS 11 8.705 1.854 -4.142 74 HB2 CYS 11 HB2 CYS 11 8.011 0.104 -2.514 75 HB3 CYS 11 HB1 CYS 11 8.777 1.030 -1.236 76 H GLU 12 HN GLU 12 9.814 3.749 -4.583 77 HA GLU 12 HA GLU 12 11.402 5.151 -2.718 78 HB2 GLU 12 HB2 GLU 12 10.071 6.000 -5.280 79 HB3 GLU 12 HB1 GLU 12 11.078 7.082 -4.330 80 HG2 GLU 12 HG2 GLU 12 11.997 4.460 -5.484 81 HG3 GLU 12 HG1 GLU 12 12.275 6.039 -6.210 82 H VAL 13 HN VAL 13 7.991 5.065 -3.277 83 HA VAL 13 HA VAL 13 7.432 7.530 -1.985 84 HB VAL 13 HB VAL 13 5.801 6.687 -3.510 85 HG11 VAL 13 HG11 VAL 13 4.546 4.662 -3.174 86 HG12 VAL 13 HG12 VAL 13 5.452 4.313 -1.704 87 HG13 VAL 13 HG13 VAL 13 6.266 4.303 -3.269 88 HG21 VAL 13 HG21 VAL 13 4.981 7.971 -1.575 89 HG22 VAL 13 HG22 VAL 13 4.675 6.451 -0.731 90 HG23 VAL 13 HG23 VAL 13 3.782 6.837 -2.202 91 H CYS 14 HN CYS 14 7.816 4.208 -0.864 92 HA CYS 14 HA CYS 14 7.059 4.717 1.829 93 HB2 CYS 14 HB2 CYS 14 8.466 2.568 0.392 94 HB3 CYS 14 HB1 CYS 14 8.903 2.745 2.087 95 H ARG 15 HN ARG 15 9.943 5.206 -0.010 96 HA ARG 15 HA ARG 15 11.753 5.711 2.092 97 HB2 ARG 15 HB2 ARG 15 12.363 5.297 -0.278 98 HB3 ARG 15 HB1 ARG 15 11.698 6.865 -0.699 99 HG2 ARG 15 HG2 ARG 15 13.399 7.939 0.708 100 HG3 ARG 15 HG1 ARG 15 14.083 6.350 1.065 101 HD2 ARG 15 HD2 ARG 15 14.428 5.993 -1.351 102 HD3 ARG 15 HD1 ARG 15 13.828 7.619 -1.656 103 HE ARG 15 HE ARG 15 15.963 7.759 0.162 104 HH11 ARG 15 HH11 ARG 15 15.318 7.035 -3.207 105 HH12 ARG 15 HH12 ARG 15 16.905 7.506 -3.738 106 HH21 ARG 15 HH21 ARG 15 18.043 8.382 -0.534 107 HH22 ARG 15 HH22 ARG 15 18.461 8.266 -2.213 108 H ASP 16 HN ASP 16 9.529 7.734 0.294 109 HA ASP 16 HA ASP 16 10.082 10.129 1.741 110 HB2 ASP 16 HB2 ASP 16 9.151 10.229 -0.498 111 HB3 ASP 16 HB1 ASP 16 7.733 9.322 0.011 112 H GLY 17 HN GLY 17 8.520 7.321 2.643 113 HA2 GLY 17 HA2 GLY 17 7.486 6.860 4.681 114 HA3 GLY 17 HA1 GLY 17 7.391 8.590 4.992 115 H GLY 18 HN GLY 18 6.263 7.232 2.011 116 HA2 GLY 18 HA2 GLY 18 3.733 8.397 2.146 117 HA3 GLY 18 HA1 GLY 18 4.197 7.109 1.052 118 H GLU 19 HN GLU 19 1.666 7.431 2.184 119 HA GLU 19 HA GLU 19 1.474 5.580 4.418 120 HB2 GLU 19 HB2 GLU 19 -0.571 7.326 3.049 121 HB3 GLU 19 HB1 GLU 19 -0.920 6.297 4.432 122 HG2 GLU 19 HG2 GLU 19 0.741 7.579 5.750 123 HG3 GLU 19 HG1 GLU 19 0.985 8.636 4.361 124 H LEU 20 HN LEU 20 0.075 3.800 4.412 125 HA LEU 20 HA LEU 20 -0.285 2.571 1.772 126 HB2 LEU 20 HB2 LEU 20 0.090 1.481 4.535 127 HB3 LEU 20 HB1 LEU 20 -0.666 0.496 3.300 128 HG LEU 20 HG LEU 20 2.054 1.739 2.921 129 HD11 LEU 20 HD11 LEU 20 1.359 -0.974 4.035 130 HD12 LEU 20 HD12 LEU 20 2.169 0.335 4.895 131 HD13 LEU 20 HD13 LEU 20 2.970 -0.461 3.539 132 HD21 LEU 20 HD21 LEU 20 2.273 -0.084 1.268 133 HD22 LEU 20 HD22 LEU 20 0.946 1.011 0.883 134 HD23 LEU 20 HD23 LEU 20 0.610 -0.564 1.601 135 H PHE 21 HN PHE 21 -2.274 1.980 1.056 136 HA PHE 21 HA PHE 21 -4.547 2.574 2.840 137 HB2 PHE 21 HB2 PHE 21 -4.539 2.531 -0.195 138 HB3 PHE 21 HB1 PHE 21 -5.833 3.119 0.854 139 HD1 PHE 21 HD1 PHE 21 -5.351 5.137 2.331 140 HD2 PHE 21 HD2 PHE 21 -2.823 3.963 -0.894 141 HE1 PHE 21 HE1 PHE 21 -4.418 7.404 2.237 142 HE2 PHE 21 HE2 PHE 21 -1.881 6.226 -0.974 143 HZ PHE 21 HZ PHE 21 -2.525 7.886 0.742 144 H CYS 22 HN CYS 22 -3.106 0.164 2.870 145 HA CYS 22 HA CYS 22 -5.195 -1.722 2.075 146 HB2 CYS 22 HB2 CYS 22 -2.268 -1.858 1.395 147 HB3 CYS 22 HB1 CYS 22 -3.230 -3.327 1.533 148 H CYS 23 HN CYS 23 -4.958 -3.812 3.180 149 HA CYS 23 HA CYS 23 -4.029 -3.508 5.906 150 HB2 CYS 23 HB2 CYS 23 -5.152 -5.570 6.345 151 HB3 CYS 23 HB1 CYS 23 -6.194 -4.695 5.224 152 H ASP 24 HN ASP 24 -2.666 -5.458 6.782 153 HA ASP 24 HA ASP 24 -0.168 -5.156 5.566 154 HB2 ASP 24 HB2 ASP 24 -1.136 -7.126 7.622 155 HB3 ASP 24 HB1 ASP 24 0.529 -7.118 7.050 156 H THR 25 HN THR 25 -2.489 -7.794 5.277 157 HA THR 25 HA THR 25 -0.842 -9.593 3.897 158 HB THR 25 HB THR 25 -3.831 -9.272 3.622 159 HG1 THR 25 HG1 THR 25 -2.398 -9.893 5.753 160 HG21 THR 25 HG21 THR 25 -2.826 -10.703 1.897 161 HG22 THR 25 HG22 THR 25 -3.813 -11.638 3.022 162 HG23 THR 25 HG23 THR 25 -2.054 -11.669 3.154 163 H CYS 26 HN CYS 26 -3.101 -7.133 2.625 164 HA CYS 26 HA CYS 26 -2.471 -7.790 -0.091 165 HB2 CYS 26 HB2 CYS 26 -3.873 -5.349 0.997 166 HB3 CYS 26 HB1 CYS 26 -3.820 -5.824 -0.690 167 H SER 27 HN SER 27 -1.267 -5.459 2.254 168 HA SER 27 HA SER 27 0.053 -3.786 0.395 169 HB2 SER 27 HB2 SER 27 1.390 -3.030 2.393 170 HB3 SER 27 HB1 SER 27 -0.357 -2.922 2.593 171 HG SER 27 HG SER 27 0.994 -5.235 3.443 172 H ARG 28 HN ARG 28 0.839 -6.892 1.678 173 HA ARG 28 HA ARG 28 3.599 -6.751 0.875 174 HB2 ARG 28 HB2 ARG 28 1.834 -9.015 1.784 175 HB3 ARG 28 HB1 ARG 28 3.509 -9.249 1.305 176 HG2 ARG 28 HG2 ARG 28 4.228 -7.739 3.093 177 HG3 ARG 28 HG1 ARG 28 2.542 -7.515 3.573 178 HD2 ARG 28 HD2 ARG 28 3.718 -9.183 4.964 179 HD3 ARG 28 HD1 ARG 28 2.342 -9.867 4.099 180 HE ARG 28 HE ARG 28 4.920 -10.132 2.795 181 HH11 ARG 28 HH11 ARG 28 2.531 -11.607 4.884 182 HH12 ARG 28 HH12 ARG 28 3.071 -13.222 4.565 183 HH21 ARG 28 HH21 ARG 28 5.627 -12.248 2.364 184 HH22 ARG 28 HH22 ARG 28 4.841 -13.590 3.133 185 H VAL 29 HN VAL 29 0.585 -7.687 -0.565 186 HA VAL 29 HA VAL 29 1.906 -9.207 -2.664 187 HB VAL 29 HB VAL 29 -1.044 -8.663 -2.324 188 HG11 VAL 29 HG11 VAL 29 0.412 -10.681 -4.025 189 HG12 VAL 29 HG12 VAL 29 -0.435 -9.250 -4.611 190 HG13 VAL 29 HG13 VAL 29 -1.337 -10.559 -3.844 191 HG21 VAL 29 HG21 VAL 29 -1.150 -10.979 -1.467 192 HG22 VAL 29 HG22 VAL 29 -0.234 -9.899 -0.418 193 HG23 VAL 29 HG23 VAL 29 0.612 -11.032 -1.473 194 H PHE 30 HN PHE 30 -0.055 -6.261 -2.342 195 HA PHE 30 HA PHE 30 0.804 -5.510 -5.069 196 HB2 PHE 30 HB2 PHE 30 -1.768 -4.665 -3.703 197 HB3 PHE 30 HB1 PHE 30 -1.285 -4.296 -5.356 198 HD1 PHE 30 HD1 PHE 30 -0.938 -6.347 -6.930 199 HD2 PHE 30 HD2 PHE 30 -3.114 -6.466 -3.274 200 HE1 PHE 30 HE1 PHE 30 -2.121 -8.361 -7.697 201 HE2 PHE 30 HE2 PHE 30 -4.293 -8.480 -4.032 202 HZ PHE 30 HZ PHE 30 -3.797 -9.430 -6.248 203 H HIS 31 HN HIS 31 2.493 -4.917 -3.146 204 HA HIS 31 HA HIS 31 2.049 -2.873 -1.362 205 HB2 HIS 31 HB2 HIS 31 4.057 -4.326 -1.432 206 HB3 HIS 31 HB1 HIS 31 4.635 -3.420 -2.827 207 HD1 HIS 31 HD1 HIS 31 3.551 -2.547 0.742 208 HD2 HIS 31 HD2 HIS 31 6.394 -1.542 -2.113 209 HE1 HIS 31 HE1 HIS 31 5.092 -0.859 1.835 210 H GLU 32 HN GLU 32 3.236 -2.547 -4.699 211 HA GLU 32 HA GLU 32 3.718 0.242 -4.464 212 HB2 GLU 32 HB2 GLU 32 3.376 -1.487 -6.913 213 HB3 GLU 32 HB1 GLU 32 3.892 0.192 -6.950 214 HG2 GLU 32 HG2 GLU 32 5.830 -0.474 -5.498 215 HG3 GLU 32 HG1 GLU 32 5.355 -2.151 -5.760 216 H ASP 33 HN ASP 33 0.995 -1.651 -5.636 217 HA ASP 33 HA ASP 33 -0.485 0.580 -6.620 218 HB2 ASP 33 HB2 ASP 33 -1.284 -2.239 -5.898 219 HB3 ASP 33 HB1 ASP 33 -2.434 -1.058 -6.509 220 H CYS 34 HN CYS 34 -0.051 -0.922 -3.549 221 HA CYS 34 HA CYS 34 -2.461 0.089 -2.371 222 HB2 CYS 34 HB2 CYS 34 -0.049 -1.376 -1.348 223 HB3 CYS 34 HB1 CYS 34 -1.229 -0.697 -0.225 224 H HIS 35 HN HIS 35 0.307 1.619 -3.250 225 HA HIS 35 HA HIS 35 0.128 3.593 -1.090 226 HB2 HIS 35 HB2 HIS 35 2.132 3.167 -3.301 227 HB3 HIS 35 HB1 HIS 35 2.107 4.636 -2.324 228 HD1 HIS 35 HD1 HIS 35 2.841 4.395 0.187 229 HD2 HIS 35 HD2 HIS 35 3.014 0.880 -2.017 230 HE1 HIS 35 HE1 HIS 35 4.109 2.730 1.607 231 H ILE 36 HN ILE 36 -1.337 2.932 -3.927 232 HA ILE 36 HA ILE 36 -1.774 5.766 -4.606 233 HB ILE 36 HB ILE 36 -1.907 3.402 -6.490 234 HG12 ILE 36 HG12 ILE 36 0.247 5.517 -6.274 235 HG13 ILE 36 HG11 ILE 36 0.402 3.862 -5.702 236 HG21 ILE 36 HG21 ILE 36 -3.357 5.263 -7.123 237 HG22 ILE 36 HG22 ILE 36 -2.021 5.076 -8.257 238 HG23 ILE 36 HG23 ILE 36 -1.980 6.363 -7.054 239 HD11 ILE 36 HD11 ILE 36 0.167 3.038 -7.979 240 HD12 ILE 36 HD12 ILE 36 1.501 4.184 -7.850 241 HD13 ILE 36 HD13 ILE 36 -0.031 4.691 -8.564 242 HA PRO 37 HA PRO 37 -3.079 7.039 -5.389 243 HB2 PRO 37 HB2 PRO 37 -5.458 8.418 -4.608 244 HB3 PRO 37 HB1 PRO 37 -4.930 8.034 -6.253 245 HG2 PRO 37 HG2 PRO 37 -7.166 6.966 -5.007 246 HG3 PRO 37 HG1 PRO 37 -6.335 6.247 -6.401 247 HD2 PRO 37 HD2 PRO 37 -6.108 5.559 -3.490 248 HD3 PRO 37 HD1 PRO 37 -6.132 4.481 -4.906 249 HA PRO 38 HA PRO 38 -1.773 8.297 -1.282 250 HB2 PRO 38 HB2 PRO 38 -1.078 10.818 -2.683 251 HB3 PRO 38 HB1 PRO 38 -0.062 9.760 -1.697 252 HG2 PRO 38 HG2 PRO 38 0.205 9.813 -4.353 253 HG3 PRO 38 HG1 PRO 38 0.345 8.291 -3.449 254 HD2 PRO 38 HD2 PRO 38 -1.958 9.325 -5.072 255 HD3 PRO 38 HD1 PRO 38 -1.315 7.671 -4.950 256 H VAL 39 HN VAL 39 -2.241 9.998 0.262 257 HA VAL 39 HA VAL 39 -4.965 10.738 0.225 258 HB VAL 39 HB VAL 39 -2.770 11.659 2.081 259 HG11 VAL 39 HG11 VAL 39 -4.559 12.283 3.616 260 HG12 VAL 39 HG12 VAL 39 -5.760 11.827 2.407 261 HG13 VAL 39 HG13 VAL 39 -4.680 13.187 2.105 262 HG21 VAL 39 HG21 VAL 39 -3.069 9.262 2.169 263 HG22 VAL 39 HG22 VAL 39 -4.809 9.458 2.353 264 HG23 VAL 39 HG23 VAL 39 -3.722 9.997 3.629 265 H GLU 40 HN GLU 40 -5.354 12.028 -1.549 266 HA GLU 40 HA GLU 40 -4.375 14.791 -1.268 267 HB2 GLU 40 HB2 GLU 40 -5.433 13.496 -3.792 268 HB3 GLU 40 HB1 GLU 40 -4.726 15.098 -3.648 269 HG2 GLU 40 HG2 GLU 40 -2.572 14.091 -3.064 270 HG3 GLU 40 HG1 GLU 40 -3.286 12.488 -3.232 271 H ALA 41 HN ALA 41 -7.115 12.678 -1.854 272 HA ALA 41 HA ALA 41 -8.881 14.519 -0.547 273 HB1 ALA 41 HB1 ALA 41 -10.457 14.775 -2.386 274 HB2 ALA 41 HB2 ALA 41 -9.373 13.885 -3.453 275 HB3 ALA 41 HB3 ALA 41 -8.886 15.453 -2.812 276 H GLU 42 HN GLU 42 -9.980 13.250 0.739 277 HA GLU 42 HA GLU 42 -11.217 11.555 1.586 278 HB2 GLU 42 HB2 GLU 42 -12.067 11.218 -1.291 279 HB3 GLU 42 HB1 GLU 42 -12.926 10.607 0.119 280 HG2 GLU 42 HG2 GLU 42 -13.216 12.927 0.903 281 HG3 GLU 42 HG1 GLU 42 -12.433 13.494 -0.570 282 H ARG 43 HN ARG 43 -8.799 10.700 1.603 283 HA ARG 43 HA ARG 43 -8.938 7.935 0.581 284 HB2 ARG 43 HB2 ARG 43 -6.521 9.658 1.142 285 HB3 ARG 43 HB1 ARG 43 -6.432 7.931 0.835 286 HG2 ARG 43 HG2 ARG 43 -7.601 9.914 -1.101 287 HG3 ARG 43 HG1 ARG 43 -5.918 9.387 -1.128 288 HD2 ARG 43 HD2 ARG 43 -7.075 8.063 -2.724 289 HD3 ARG 43 HD1 ARG 43 -6.781 7.028 -1.329 290 HE ARG 43 HE ARG 43 -9.347 8.318 -1.252 291 HH11 ARG 43 HH11 ARG 43 -7.579 5.569 -2.498 292 HH12 ARG 43 HH12 ARG 43 -8.996 4.601 -2.745 293 HH21 ARG 43 HH21 ARG 43 -11.210 7.041 -1.531 294 HH22 ARG 43 HH22 ARG 43 -11.066 5.434 -2.173 295 H THR 44 HN THR 44 -8.849 6.313 2.051 296 HA THR 44 HA THR 44 -8.478 7.121 4.858 297 HB THR 44 HB THR 44 -10.147 5.386 5.464 298 HG1 THR 44 HG1 THR 44 -9.789 4.378 3.202 299 HG21 THR 44 HG21 THR 44 -11.145 7.465 3.509 300 HG22 THR 44 HG22 THR 44 -10.838 7.726 5.224 301 HG23 THR 44 HG23 THR 44 -12.125 6.633 4.715 302 HA PRO 45 HA PRO 45 -5.233 3.979 4.327 303 HB2 PRO 45 HB2 PRO 45 -4.438 4.931 6.999 304 HB3 PRO 45 HB1 PRO 45 -3.500 4.863 5.504 305 HG2 PRO 45 HG2 PRO 45 -4.357 7.196 6.527 306 HG3 PRO 45 HG1 PRO 45 -4.252 6.920 4.777 307 HD2 PRO 45 HD2 PRO 45 -6.660 6.870 6.565 308 HD3 PRO 45 HD1 PRO 45 -6.488 7.539 4.925 309 H TRP 46 HN TRP 46 -7.583 4.402 6.844 310 HA TRP 46 HA TRP 46 -6.905 1.857 8.092 311 HB2 TRP 46 HB2 TRP 46 -8.723 2.419 9.703 312 HB3 TRP 46 HB1 TRP 46 -7.463 3.644 9.623 313 HD1 TRP 46 HD1 TRP 46 -11.155 3.086 8.876 314 HE1 TRP 46 HE1 TRP 46 -12.266 5.355 8.412 315 HE3 TRP 46 HE3 TRP 46 -6.969 6.015 8.681 316 HZ2 TRP 46 HZ2 TRP 46 -11.476 8.030 8.007 317 HZ3 TRP 46 HZ3 TRP 46 -7.237 8.421 8.239 318 HH2 TRP 46 HH2 TRP 46 -9.436 9.403 7.906 319 H ASN 47 HN ASN 47 -8.033 2.157 5.341 320 HA ASN 47 HA ASN 47 -9.958 -0.012 5.630 321 HB2 ASN 47 HB2 ASN 47 -11.379 1.967 5.307 322 HB3 ASN 47 HB1 ASN 47 -10.436 2.433 3.897 323 HD21 ASN 47 HD21 ASN 47 -12.666 0.009 5.157 324 HD22 ASN 47 HD22 ASN 47 -13.213 -0.547 3.609 325 H CYS 48 HN CYS 48 -9.601 -1.611 4.108 326 HA CYS 48 HA CYS 48 -7.218 -1.158 2.499 327 HB2 CYS 48 HB2 CYS 48 -7.412 -3.183 3.986 328 HB3 CYS 48 HB1 CYS 48 -8.716 -3.757 2.954 329 H ILE 49 HN ILE 49 -7.346 -0.685 0.412 330 HA ILE 49 HA ILE 49 -9.907 -0.625 -0.864 331 HB ILE 49 HB ILE 49 -8.614 0.195 -2.880 332 HG12 ILE 49 HG12 ILE 49 -6.336 0.364 -0.904 333 HG13 ILE 49 HG11 ILE 49 -6.427 -0.815 -2.209 334 HG21 ILE 49 HG21 ILE 49 -8.413 1.695 -0.273 335 HG22 ILE 49 HG22 ILE 49 -9.755 1.727 -1.415 336 HG23 ILE 49 HG23 ILE 49 -8.196 2.417 -1.866 337 HD11 ILE 49 HD11 ILE 49 -4.985 1.060 -2.785 338 HD12 ILE 49 HD12 ILE 49 -6.325 2.178 -2.533 339 HD13 ILE 49 HD13 ILE 49 -6.395 0.999 -3.842 340 H PHE 50 HN PHE 50 -7.207 -2.801 -0.906 341 HA PHE 50 HA PHE 50 -8.061 -4.026 -3.383 342 HB2 PHE 50 HB2 PHE 50 -5.722 -4.428 -1.587 343 HB3 PHE 50 HB1 PHE 50 -6.238 -5.788 -2.591 344 HD1 PHE 50 HD2 PHE 50 -4.973 -2.334 -2.638 345 HD2 PHE 50 HD1 PHE 50 -6.015 -5.739 -4.964 346 HE1 PHE 50 HE2 PHE 50 -3.899 -1.318 -4.597 347 HE2 PHE 50 HE1 PHE 50 -4.942 -4.729 -6.933 348 HZ PHE 50 HZ PHE 50 -3.884 -2.515 -6.752 349 H CYS 51 HN CYS 51 -8.409 -4.599 0.047 350 HA CYS 51 HA CYS 51 -9.481 -7.206 -0.141 351 HB2 CYS 51 HB2 CYS 51 -9.589 -5.047 1.914 352 HB3 CYS 51 HB1 CYS 51 -10.774 -6.339 2.024 353 H ARG 52 HN ARG 52 -10.991 -4.001 -0.346 354 HA ARG 52 HA ARG 52 -13.617 -5.089 -0.646 355 HB2 ARG 52 HB2 ARG 52 -14.322 -2.797 -1.036 356 HB3 ARG 52 HB1 ARG 52 -13.241 -2.873 0.345 357 HG2 ARG 52 HG2 ARG 52 -11.389 -2.191 -1.228 358 HG3 ARG 52 HG1 ARG 52 -12.650 -1.850 -2.413 359 HD2 ARG 52 HD2 ARG 52 -12.409 -0.612 0.327 360 HD3 ARG 52 HD1 ARG 52 -11.997 0.167 -1.200 361 HE ARG 52 HE ARG 52 -14.577 -0.525 -1.566 362 HH11 ARG 52 HH11 ARG 52 -12.924 1.156 1.022 363 HH12 ARG 52 HH12 ARG 52 -14.286 2.157 1.411 364 HH21 ARG 52 HH21 ARG 52 -16.381 0.787 -1.046 365 HH22 ARG 52 HH22 ARG 52 -16.252 1.943 0.243 366 H MET 53 HN MET 53 -11.121 -5.324 -2.633 367 HA MET 53 HA MET 53 -12.655 -4.915 -5.099 368 HB2 MET 53 HB2 MET 53 -9.723 -5.424 -4.599 369 HB3 MET 53 HB1 MET 53 -10.435 -5.541 -6.203 370 HG2 MET 53 HG2 MET 53 -11.082 -3.226 -6.141 371 HG3 MET 53 HG1 MET 53 -10.532 -3.082 -4.473 372 HE1 MET 53 HE1 MET 53 -7.712 -3.734 -8.076 373 HE2 MET 53 HE2 MET 53 -9.467 -3.619 -8.204 374 HE3 MET 53 HE3 MET 53 -8.729 -5.018 -7.425 375 H LYS 54 HN LYS 54 -11.882 -7.247 -2.833 376 HA LYS 54 HA LYS 54 -11.805 -9.628 -4.241 377 HB2 LYS 54 HB2 LYS 54 -11.650 -9.345 -1.733 378 HB3 LYS 54 HB1 LYS 54 -13.398 -9.158 -1.711 379 HG2 LYS 54 HG2 LYS 54 -12.975 -11.394 -1.130 380 HG3 LYS 54 HG1 LYS 54 -13.530 -11.433 -2.803 381 HD2 LYS 54 HD2 LYS 54 -11.656 -12.916 -2.597 382 HD3 LYS 54 HD1 LYS 54 -11.141 -11.504 -3.522 383 HE2 LYS 54 HE2 LYS 54 -10.130 -10.557 -1.500 384 HE3 LYS 54 HE1 LYS 54 -10.645 -11.969 -0.580 385 HZ1 LYS 54 HZ1 LYS 54 -8.355 -12.198 -1.202 386 HZ2 LYS 54 HZ2 LYS 54 -8.714 -11.938 -2.832 387 HZ3 LYS 54 HZ3 LYS 54 -9.264 -13.336 -2.060 388 H GLU 55 HN GLU 55 -14.627 -7.761 -3.182 389 HA GLU 55 HA GLU 55 -16.515 -9.368 -4.583 390 HB2 GLU 55 HB2 GLU 55 -17.144 -8.009 -2.633 391 HB3 GLU 55 HB1 GLU 55 -16.770 -6.546 -3.530 392 HG2 GLU 55 HG2 GLU 55 -18.542 -7.104 -5.137 393 HG3 GLU 55 HG1 GLU 55 -18.935 -8.531 -4.179 394 H SER 56 HN SER 56 -15.624 -9.505 -6.664 395 HA SER 56 HA SER 56 -15.434 -7.059 -8.233 396 HB2 SER 56 HB2 SER 56 -14.903 -9.918 -9.083 397 HB3 SER 56 HB1 SER 56 -14.449 -8.453 -9.955 398 HG SER 56 HG SER 56 -13.571 -8.666 -7.323 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 9.485 -1.545 13.521 2 H2 GLY 1 HT2 GLY 1 8.473 -2.589 14.382 3 H3 GLY 1 HT3 GLY 1 8.411 -2.553 12.693 4 HA2 GLY 1 HA1 GLY 1 10.709 -3.462 14.326 5 HA3 GLY 1 HA2 GLY 1 9.594 -4.505 13.456 6 H ALA 2 HN ALA 2 12.490 -2.803 13.307 7 HA ALA 2 HA ALA 2 12.532 -2.303 10.488 8 HB1 ALA 2 HB1 ALA 2 13.851 -0.980 12.109 9 HB2 ALA 2 HB2 ALA 2 14.834 -1.655 10.809 10 HB3 ALA 2 HB3 ALA 2 14.855 -2.399 12.408 11 H MET 3 HN MET 3 13.263 -5.003 12.504 12 HA MET 3 HA MET 3 14.741 -6.330 10.351 13 HB2 MET 3 HB2 MET 3 14.325 -7.068 13.251 14 HB3 MET 3 HB1 MET 3 15.123 -8.119 12.090 15 HG2 MET 3 HG2 MET 3 16.842 -6.439 11.722 16 HG3 MET 3 HG1 MET 3 16.032 -5.351 12.846 17 HE1 MET 3 HE1 MET 3 16.485 -9.268 13.207 18 HE2 MET 3 HE2 MET 3 18.014 -9.334 14.082 19 HE3 MET 3 HE3 MET 3 17.971 -8.725 12.427 20 H GLY 4 HN GLY 4 12.464 -6.157 9.310 21 HA2 GLY 4 HA2 GLY 4 11.218 -8.784 9.683 22 HA3 GLY 4 HA1 GLY 4 10.192 -7.357 9.745 23 H MET 5 HN MET 5 9.258 -8.758 7.932 24 HA MET 5 HA MET 5 10.636 -8.716 5.414 25 HB2 MET 5 HB2 MET 5 9.064 -10.523 5.982 26 HB3 MET 5 HB1 MET 5 7.753 -9.358 6.076 27 HG2 MET 5 HG2 MET 5 8.065 -8.847 3.690 28 HG3 MET 5 HG1 MET 5 9.324 -10.077 3.610 29 HE1 MET 5 HE1 MET 5 5.521 -9.381 4.280 30 HE2 MET 5 HE2 MET 5 6.006 -10.278 5.719 31 HE3 MET 5 HE3 MET 5 4.904 -11.010 4.555 32 H ARG 6 HN ARG 6 11.059 -6.485 5.149 33 HA ARG 6 HA ARG 6 8.722 -4.988 4.166 34 HB2 ARG 6 HB2 ARG 6 11.038 -3.685 5.591 35 HB3 ARG 6 HB1 ARG 6 9.515 -2.951 5.121 36 HG2 ARG 6 HG2 ARG 6 8.346 -4.288 6.793 37 HG3 ARG 6 HG1 ARG 6 9.876 -5.044 7.254 38 HD2 ARG 6 HD2 ARG 6 9.091 -2.148 7.531 39 HD3 ARG 6 HD1 ARG 6 9.447 -3.297 8.823 40 HE ARG 6 HE ARG 6 11.722 -3.164 7.253 41 HH11 ARG 6 HH11 ARG 6 9.836 -0.967 9.213 42 HH12 ARG 6 HH12 ARG 6 11.187 0.051 9.589 43 HH21 ARG 6 HH21 ARG 6 13.490 -1.806 7.713 44 HH22 ARG 6 HH22 ARG 6 13.256 -0.415 8.725 45 H ASN 7 HN ASN 7 9.181 -5.281 1.996 46 HA ASN 7 HA ASN 7 11.852 -4.554 1.064 47 HB2 ASN 7 HB2 ASN 7 10.736 -6.539 0.063 48 HB3 ASN 7 HB1 ASN 7 9.482 -5.476 -0.572 49 HD21 ASN 7 HD21 ASN 7 9.955 -5.965 -2.722 50 HD22 ASN 7 HD22 ASN 7 11.396 -5.405 -3.504 51 H LEU 8 HN LEU 8 11.368 -2.390 1.974 52 HA LEU 8 HA LEU 8 9.724 -0.759 0.185 53 HB2 LEU 8 HB2 LEU 8 9.596 0.894 1.880 54 HB3 LEU 8 HB1 LEU 8 9.301 -0.646 2.656 55 HG LEU 8 HG LEU 8 11.920 0.863 2.755 56 HD11 LEU 8 HD11 LEU 8 10.199 2.073 3.943 57 HD12 LEU 8 HD12 LEU 8 11.301 1.317 5.094 58 HD13 LEU 8 HD13 LEU 8 9.715 0.606 4.793 59 HD21 LEU 8 HD21 LEU 8 12.430 -0.711 4.604 60 HD22 LEU 8 HD22 LEU 8 12.294 -1.495 3.031 61 HD23 LEU 8 HD23 LEU 8 10.971 -1.612 4.191 62 H ASP 9 HN ASP 9 12.675 -1.816 0.167 63 HA ASP 9 HA ASP 9 14.258 0.552 -0.035 64 HB2 ASP 9 HB2 ASP 9 14.778 -2.278 -0.966 65 HB3 ASP 9 HB1 ASP 9 15.970 -0.983 -1.013 66 H GLU 10 HN GLU 10 12.389 -1.395 -2.209 67 HA GLU 10 HA GLU 10 13.275 0.109 -4.540 68 HB2 GLU 10 HB2 GLU 10 11.208 -2.086 -4.304 69 HB3 GLU 10 HB1 GLU 10 11.776 -1.376 -5.807 70 HG2 GLU 10 HG2 GLU 10 14.015 -2.224 -5.384 71 HG3 GLU 10 HG1 GLU 10 13.474 -2.910 -3.852 72 H CYS 11 HN CYS 11 11.251 0.694 -2.091 73 HA CYS 11 HA CYS 11 9.147 1.891 -3.741 74 HB2 CYS 11 HB2 CYS 11 8.443 0.256 -2.006 75 HB3 CYS 11 HB1 CYS 11 9.107 1.325 -0.780 76 H GLU 12 HN GLU 12 10.032 3.840 -4.274 77 HA GLU 12 HA GLU 12 11.431 5.520 -2.485 78 HB2 GLU 12 HB2 GLU 12 10.027 6.033 -5.093 79 HB3 GLU 12 HB1 GLU 12 10.769 7.335 -4.174 80 HG2 GLU 12 HG2 GLU 12 12.188 4.901 -5.228 81 HG3 GLU 12 HG1 GLU 12 12.244 6.519 -5.926 82 H VAL 13 HN VAL 13 8.065 4.915 -2.991 83 HA VAL 13 HA VAL 13 7.141 7.379 -1.923 84 HB VAL 13 HB VAL 13 5.703 4.744 -2.189 85 HG11 VAL 13 HG11 VAL 13 4.750 7.513 -1.510 86 HG12 VAL 13 HG12 VAL 13 4.506 6.015 -0.608 87 HG13 VAL 13 HG13 VAL 13 3.675 6.267 -2.140 88 HG21 VAL 13 HG21 VAL 13 5.735 7.177 -3.966 89 HG22 VAL 13 HG22 VAL 13 4.731 5.746 -4.199 90 HG23 VAL 13 HG23 VAL 13 6.486 5.622 -4.319 91 H CYS 14 HN CYS 14 7.462 4.096 -0.538 92 HA CYS 14 HA CYS 14 6.717 4.811 2.090 93 HB2 CYS 14 HB2 CYS 14 8.346 2.596 0.929 94 HB3 CYS 14 HB1 CYS 14 8.389 2.852 2.668 95 H ARG 15 HN ARG 15 9.663 5.095 0.301 96 HA ARG 15 HA ARG 15 11.410 5.678 2.448 97 HB2 ARG 15 HB2 ARG 15 12.143 4.921 0.222 98 HB3 ARG 15 HB1 ARG 15 11.580 6.432 -0.470 99 HG2 ARG 15 HG2 ARG 15 13.243 7.654 0.804 100 HG3 ARG 15 HG1 ARG 15 13.801 6.147 1.539 101 HD2 ARG 15 HD2 ARG 15 14.386 5.289 -0.673 102 HD3 ARG 15 HD1 ARG 15 13.824 6.789 -1.407 103 HE ARG 15 HE ARG 15 15.764 7.393 0.523 104 HH11 ARG 15 HH11 ARG 15 15.469 5.910 -2.644 105 HH12 ARG 15 HH12 ARG 15 17.111 6.275 -3.093 106 HH21 ARG 15 HH21 ARG 15 17.897 7.880 -0.074 107 HH22 ARG 15 HH22 ARG 15 18.484 7.406 -1.639 108 H ASP 16 HN ASP 16 9.508 7.706 0.260 109 HA ASP 16 HA ASP 16 10.231 10.137 1.587 110 HB2 ASP 16 HB2 ASP 16 8.232 9.418 -0.528 111 HB3 ASP 16 HB1 ASP 16 8.157 10.996 0.249 112 H GLY 17 HN GLY 17 8.474 7.685 2.749 113 HA2 GLY 17 HA2 GLY 17 7.264 7.649 4.743 114 HA3 GLY 17 HA1 GLY 17 7.176 9.404 4.687 115 H GLY 18 HN GLY 18 6.224 7.480 1.969 116 HA2 GLY 18 HA2 GLY 18 3.645 8.534 1.762 117 HA3 GLY 18 HA1 GLY 18 4.204 7.076 0.969 118 H GLU 19 HN GLU 19 1.611 7.377 1.807 119 HA GLU 19 HA GLU 19 1.371 5.884 4.317 120 HB2 GLU 19 HB2 GLU 19 -0.576 7.529 2.712 121 HB3 GLU 19 HB1 GLU 19 -1.074 6.534 4.074 122 HG2 GLU 19 HG2 GLU 19 1.081 8.589 4.383 123 HG3 GLU 19 HG1 GLU 19 -0.621 9.047 4.447 124 H LEU 20 HN LEU 20 0.220 3.985 4.452 125 HA LEU 20 HA LEU 20 -0.282 2.612 1.906 126 HB2 LEU 20 HB2 LEU 20 0.418 1.638 4.654 127 HB3 LEU 20 HB1 LEU 20 -0.337 0.565 3.494 128 HG LEU 20 HG LEU 20 2.254 2.015 2.940 129 HD11 LEU 20 HD11 LEU 20 2.538 0.559 4.883 130 HD12 LEU 20 HD12 LEU 20 3.375 -0.092 3.473 131 HD13 LEU 20 HD13 LEU 20 1.836 -0.786 3.984 132 HD21 LEU 20 HD21 LEU 20 2.502 0.230 1.243 133 HD22 LEU 20 HD22 LEU 20 1.102 1.260 0.946 134 HD23 LEU 20 HD23 LEU 20 0.884 -0.345 1.643 135 H PHE 21 HN PHE 21 -2.312 2.141 1.340 136 HA PHE 21 HA PHE 21 -4.415 2.451 3.386 137 HB2 PHE 21 HB2 PHE 21 -4.728 2.637 0.375 138 HB3 PHE 21 HB1 PHE 21 -5.945 3.033 1.588 139 HD1 PHE 21 HD1 PHE 21 -5.232 4.908 3.301 140 HD2 PHE 21 HD2 PHE 21 -3.477 4.351 -0.546 141 HE1 PHE 21 HE1 PHE 21 -4.466 7.242 3.312 142 HE2 PHE 21 HE2 PHE 21 -2.712 6.684 -0.532 143 HZ PHE 21 HZ PHE 21 -3.178 8.126 1.401 144 H CYS 22 HN CYS 22 -2.879 0.089 3.048 145 HA CYS 22 HA CYS 22 -4.916 -1.784 2.055 146 HB2 CYS 22 HB2 CYS 22 -1.912 -2.046 1.707 147 HB3 CYS 22 HB1 CYS 22 -3.126 -3.189 1.131 148 H CYS 23 HN CYS 23 -4.871 -3.879 3.099 149 HA CYS 23 HA CYS 23 -3.982 -3.747 5.844 150 HB2 CYS 23 HB2 CYS 23 -5.196 -5.771 6.191 151 HB3 CYS 23 HB1 CYS 23 -6.172 -4.825 5.071 152 H ASP 24 HN ASP 24 -2.776 -5.722 6.729 153 HA ASP 24 HA ASP 24 -0.197 -5.649 5.776 154 HB2 ASP 24 HB2 ASP 24 -1.518 -7.871 7.335 155 HB3 ASP 24 HB1 ASP 24 0.221 -7.684 7.137 156 H THR 25 HN THR 25 -2.678 -8.031 5.011 157 HA THR 25 HA THR 25 -1.030 -9.782 3.542 158 HB THR 25 HB THR 25 -3.998 -9.368 3.199 159 HG1 THR 25 HG1 THR 25 -2.581 -11.029 5.039 160 HG21 THR 25 HG21 THR 25 -2.969 -10.784 1.487 161 HG22 THR 25 HG22 THR 25 -3.997 -11.734 2.560 162 HG23 THR 25 HG23 THR 25 -2.244 -11.784 2.746 163 H CYS 26 HN CYS 26 -3.262 -7.206 2.447 164 HA CYS 26 HA CYS 26 -2.671 -7.678 -0.302 165 HB2 CYS 26 HB2 CYS 26 -3.989 -5.298 1.004 166 HB3 CYS 26 HB1 CYS 26 -3.921 -5.582 -0.728 167 H SER 27 HN SER 27 -1.352 -5.503 2.136 168 HA SER 27 HA SER 27 0.117 -3.850 0.374 169 HB2 SER 27 HB2 SER 27 0.759 -4.614 3.233 170 HB3 SER 27 HB1 SER 27 1.423 -3.237 2.354 171 HG SER 27 HG SER 27 -0.270 -2.499 3.584 172 H ARG 28 HN ARG 28 0.696 -7.006 1.746 173 HA ARG 28 HA ARG 28 3.437 -7.204 1.041 174 HB2 ARG 28 HB2 ARG 28 2.459 -8.621 2.759 175 HB3 ARG 28 HB1 ARG 28 1.351 -9.323 1.590 176 HG2 ARG 28 HG2 ARG 28 3.282 -10.271 0.383 177 HG3 ARG 28 HG1 ARG 28 4.343 -9.640 1.643 178 HD2 ARG 28 HD2 ARG 28 3.116 -10.974 3.311 179 HD3 ARG 28 HD1 ARG 28 2.113 -11.636 2.022 180 HE ARG 28 HE ARG 28 4.622 -12.216 1.200 181 HH11 ARG 28 HH11 ARG 28 2.886 -12.793 4.184 182 HH12 ARG 28 HH12 ARG 28 3.793 -14.217 4.587 183 HH21 ARG 28 HH21 ARG 28 5.820 -14.089 1.725 184 HH22 ARG 28 HH22 ARG 28 5.457 -14.960 3.180 185 H VAL 29 HN VAL 29 0.436 -7.885 -0.632 186 HA VAL 29 HA VAL 29 1.840 -9.253 -2.787 187 HB VAL 29 HB VAL 29 -1.121 -8.721 -2.513 188 HG11 VAL 29 HG11 VAL 29 -1.370 -10.470 -4.198 189 HG12 VAL 29 HG12 VAL 29 0.381 -10.626 -4.305 190 HG13 VAL 29 HG13 VAL 29 -0.402 -9.132 -4.817 191 HG21 VAL 29 HG21 VAL 29 -1.249 -11.115 -1.864 192 HG22 VAL 29 HG22 VAL 29 -0.414 -10.108 -0.683 193 HG23 VAL 29 HG23 VAL 29 0.512 -11.143 -1.771 194 H PHE 30 HN PHE 30 -0.103 -6.331 -2.277 195 HA PHE 30 HA PHE 30 0.657 -5.447 -4.983 196 HB2 PHE 30 HB2 PHE 30 -1.824 -4.677 -3.422 197 HB3 PHE 30 HB1 PHE 30 -1.406 -4.119 -5.035 198 HD1 PHE 30 HD1 PHE 30 -1.055 -6.026 -6.803 199 HD2 PHE 30 HD2 PHE 30 -3.287 -6.456 -3.202 200 HE1 PHE 30 HE1 PHE 30 -2.270 -7.919 -7.788 201 HE2 PHE 30 HE2 PHE 30 -4.501 -8.353 -4.182 202 HZ PHE 30 HZ PHE 30 -4.046 -9.076 -6.432 203 H HIS 31 HN HIS 31 2.475 -4.944 -3.059 204 HA HIS 31 HA HIS 31 2.103 -2.639 -1.513 205 HB2 HIS 31 HB2 HIS 31 3.982 -4.293 -1.292 206 HB3 HIS 31 HB1 HIS 31 4.710 -3.573 -2.722 207 HD1 HIS 31 HD1 HIS 31 3.772 -2.613 0.841 208 HD2 HIS 31 HD2 HIS 31 6.295 -1.435 -2.239 209 HE1 HIS 31 HE1 HIS 31 5.341 -0.871 1.829 210 H GLU 32 HN GLU 32 3.469 -3.015 -4.765 211 HA GLU 32 HA GLU 32 4.169 -0.315 -5.149 212 HB2 GLU 32 HB2 GLU 32 3.500 -2.483 -7.143 213 HB3 GLU 32 HB1 GLU 32 4.156 -0.915 -7.584 214 HG2 GLU 32 HG2 GLU 32 5.563 -2.728 -5.661 215 HG3 GLU 32 HG1 GLU 32 5.772 -2.876 -7.404 216 H ASP 33 HN ASP 33 1.288 -2.156 -5.966 217 HA ASP 33 HA ASP 33 -0.067 -0.019 -7.272 218 HB2 ASP 33 HB2 ASP 33 -0.951 -2.686 -6.214 219 HB3 ASP 33 HB1 ASP 33 -2.124 -1.526 -6.825 220 H CYS 34 HN CYS 34 0.293 -0.971 -3.974 221 HA CYS 34 HA CYS 34 -1.994 0.367 -2.940 222 HB2 CYS 34 HB2 CYS 34 -0.507 -1.413 -1.767 223 HB3 CYS 34 HB1 CYS 34 0.560 -0.062 -1.392 224 H HIS 35 HN HIS 35 1.090 1.418 -4.034 225 HA HIS 35 HA HIS 35 0.740 4.043 -2.767 226 HB2 HIS 35 HB2 HIS 35 3.138 2.874 -4.189 227 HB3 HIS 35 HB1 HIS 35 3.079 4.459 -3.427 228 HD1 HIS 35 HD1 HIS 35 3.007 4.461 -0.747 229 HD2 HIS 35 HD2 HIS 35 3.536 0.755 -2.549 230 HE1 HIS 35 HE1 HIS 35 3.872 2.906 1.056 231 H ILE 36 HN ILE 36 0.621 2.377 -5.766 232 HA ILE 36 HA ILE 36 0.166 4.903 -7.189 233 HB ILE 36 HB ILE 36 1.706 2.564 -8.319 234 HG12 ILE 36 HG12 ILE 36 2.760 5.252 -7.413 235 HG13 ILE 36 HG11 ILE 36 2.963 3.742 -6.533 236 HG21 ILE 36 HG21 ILE 36 2.214 4.086 -10.165 237 HG22 ILE 36 HG22 ILE 36 1.234 5.340 -9.405 238 HG23 ILE 36 HG23 ILE 36 0.475 3.858 -9.984 239 HD11 ILE 36 HD11 ILE 36 4.270 2.832 -8.374 240 HD12 ILE 36 HD12 ILE 36 4.968 4.342 -7.785 241 HD13 ILE 36 HD13 ILE 36 4.040 4.325 -9.285 242 HA PRO 37 HA PRO 37 -1.265 5.799 -7.756 243 HB2 PRO 37 HB2 PRO 37 -4.003 6.188 -8.374 244 HB3 PRO 37 HB1 PRO 37 -2.626 6.477 -9.448 245 HG2 PRO 37 HG2 PRO 37 -4.590 4.528 -9.812 246 HG3 PRO 37 HG1 PRO 37 -2.999 4.548 -10.597 247 HD2 PRO 37 HD2 PRO 37 -3.903 3.031 -8.172 248 HD3 PRO 37 HD1 PRO 37 -2.836 2.507 -9.498 249 HA PRO 38 HA PRO 38 -3.088 5.677 -3.671 250 HB2 PRO 38 HB2 PRO 38 -2.651 8.522 -3.400 251 HB3 PRO 38 HB1 PRO 38 -1.781 7.195 -2.628 252 HG2 PRO 38 HG2 PRO 38 -0.682 8.837 -4.529 253 HG3 PRO 38 HG1 PRO 38 -0.137 7.179 -4.210 254 HD2 PRO 38 HD2 PRO 38 -1.893 8.211 -6.411 255 HD3 PRO 38 HD1 PRO 38 -0.646 6.943 -6.454 256 H VAL 39 HN VAL 39 -5.159 5.854 -3.017 257 HA VAL 39 HA VAL 39 -7.029 7.491 -4.470 258 HB VAL 39 HB VAL 39 -8.723 6.623 -2.939 259 HG11 VAL 39 HG11 VAL 39 -8.553 4.250 -3.485 260 HG12 VAL 39 HG12 VAL 39 -6.857 4.475 -3.913 261 HG13 VAL 39 HG13 VAL 39 -8.116 5.268 -4.858 262 HG21 VAL 39 HG21 VAL 39 -7.465 6.601 -0.880 263 HG22 VAL 39 HG22 VAL 39 -6.425 5.317 -1.499 264 HG23 VAL 39 HG23 VAL 39 -8.134 5.000 -1.191 265 H GLU 40 HN GLU 40 -8.215 9.275 -3.594 266 HA GLU 40 HA GLU 40 -6.832 10.546 -1.330 267 HB2 GLU 40 HB2 GLU 40 -7.940 11.940 -3.768 268 HB3 GLU 40 HB1 GLU 40 -7.112 12.709 -2.421 269 HG2 GLU 40 HG2 GLU 40 -5.096 11.338 -2.997 270 HG3 GLU 40 HG1 GLU 40 -5.946 10.819 -4.451 271 H ALA 41 HN ALA 41 -9.879 9.836 -2.810 272 HA ALA 41 HA ALA 41 -11.363 11.693 -1.184 273 HB1 ALA 41 HB1 ALA 41 -12.393 9.431 -2.889 274 HB2 ALA 41 HB2 ALA 41 -12.141 11.088 -3.435 275 HB3 ALA 41 HB3 ALA 41 -13.348 10.741 -2.196 276 H GLU 42 HN GLU 42 -10.648 8.259 -1.172 277 HA GLU 42 HA GLU 42 -11.807 8.097 1.530 278 HB2 GLU 42 HB2 GLU 42 -11.760 5.939 -0.589 279 HB3 GLU 42 HB1 GLU 42 -12.345 5.735 1.055 280 HG2 GLU 42 HG2 GLU 42 -14.106 7.355 0.653 281 HG3 GLU 42 HG1 GLU 42 -13.508 7.611 -0.986 282 H ARG 43 HN ARG 43 -9.270 8.891 1.242 283 HA ARG 43 HA ARG 43 -7.433 6.680 1.229 284 HB2 ARG 43 HB2 ARG 43 -5.741 8.445 1.803 285 HB3 ARG 43 HB1 ARG 43 -6.605 8.689 0.294 286 HG2 ARG 43 HG2 ARG 43 -7.885 10.442 1.183 287 HG3 ARG 43 HG1 ARG 43 -7.446 10.029 2.842 288 HD2 ARG 43 HD2 ARG 43 -5.515 11.008 0.742 289 HD3 ARG 43 HD1 ARG 43 -6.259 12.030 1.971 290 HE ARG 43 HE ARG 43 -5.100 10.068 3.425 291 HH11 ARG 43 HH11 ARG 43 -3.890 12.209 0.930 292 HH12 ARG 43 HH12 ARG 43 -2.278 12.245 1.570 293 HH21 ARG 43 HH21 ARG 43 -2.974 10.127 4.273 294 HH22 ARG 43 HH22 ARG 43 -1.757 11.060 3.457 295 H THR 44 HN THR 44 -8.549 5.569 2.975 296 HA THR 44 HA THR 44 -7.863 6.603 5.638 297 HB THR 44 HB THR 44 -9.530 4.961 6.485 298 HG1 THR 44 HG1 THR 44 -9.306 3.621 4.485 299 HG21 THR 44 HG21 THR 44 -11.521 6.155 5.698 300 HG22 THR 44 HG22 THR 44 -10.589 6.838 4.365 301 HG23 THR 44 HG23 THR 44 -10.202 7.279 6.028 302 HA PRO 45 HA PRO 45 -4.649 3.419 5.267 303 HB2 PRO 45 HB2 PRO 45 -3.834 4.481 7.895 304 HB3 PRO 45 HB1 PRO 45 -2.904 4.346 6.397 305 HG2 PRO 45 HG2 PRO 45 -3.748 6.724 7.305 306 HG3 PRO 45 HG1 PRO 45 -3.692 6.357 5.570 307 HD2 PRO 45 HD2 PRO 45 -6.051 6.374 7.428 308 HD3 PRO 45 HD1 PRO 45 -5.924 6.987 5.762 309 H TRP 46 HN TRP 46 -6.931 3.930 7.836 310 HA TRP 46 HA TRP 46 -6.236 1.423 9.150 311 HB2 TRP 46 HB2 TRP 46 -8.038 2.031 10.761 312 HB3 TRP 46 HB1 TRP 46 -6.786 3.258 10.628 313 HD1 TRP 46 HD1 TRP 46 -10.485 2.659 9.894 314 HE1 TRP 46 HE1 TRP 46 -11.609 4.917 9.393 315 HE3 TRP 46 HE3 TRP 46 -6.311 5.610 9.671 316 HZ2 TRP 46 HZ2 TRP 46 -10.830 7.593 8.963 317 HZ3 TRP 46 HZ3 TRP 46 -6.593 8.012 9.209 318 HH2 TRP 46 HH2 TRP 46 -8.799 8.978 8.859 319 H ASN 47 HN ASN 47 -7.459 1.700 6.399 320 HA ASN 47 HA ASN 47 -9.385 -0.454 6.725 321 HB2 ASN 47 HB2 ASN 47 -10.785 1.593 6.702 322 HB3 ASN 47 HB1 ASN 47 -10.035 2.083 5.190 323 HD21 ASN 47 HD21 ASN 47 -12.248 -0.161 6.692 324 HD22 ASN 47 HD22 ASN 47 -12.978 -0.719 5.224 325 H CYS 48 HN CYS 48 -9.305 -1.881 4.973 326 HA CYS 48 HA CYS 48 -7.155 -1.315 3.090 327 HB2 CYS 48 HB2 CYS 48 -7.199 -3.504 4.274 328 HB3 CYS 48 HB1 CYS 48 -8.723 -3.881 3.478 329 H ILE 49 HN ILE 49 -7.565 -0.539 1.144 330 HA ILE 49 HA ILE 49 -10.262 -0.490 0.136 331 HB ILE 49 HB ILE 49 -9.231 0.648 -1.868 332 HG12 ILE 49 HG12 ILE 49 -6.763 0.750 -0.135 333 HG13 ILE 49 HG11 ILE 49 -6.939 -0.326 -1.519 334 HG21 ILE 49 HG21 ILE 49 -8.789 1.856 0.860 335 HG22 ILE 49 HG22 ILE 49 -10.268 1.925 -0.098 336 HG23 ILE 49 HG23 ILE 49 -8.817 2.759 -0.653 337 HD11 ILE 49 HD11 ILE 49 -5.658 1.658 -2.092 338 HD12 ILE 49 HD12 ILE 49 -7.003 2.684 -1.591 339 HD13 ILE 49 HD13 ILE 49 -7.180 1.617 -2.983 340 H PHE 50 HN PHE 50 -7.487 -2.507 -0.296 341 HA PHE 50 HA PHE 50 -8.276 -3.444 -2.904 342 HB2 PHE 50 HB2 PHE 50 -6.061 -4.162 -1.024 343 HB3 PHE 50 HB1 PHE 50 -6.491 -5.278 -2.320 344 HD1 PHE 50 HD2 PHE 50 -5.272 -1.894 -1.556 345 HD2 PHE 50 HD1 PHE 50 -5.959 -4.799 -4.586 346 HE1 PHE 50 HE2 PHE 50 -3.923 -0.569 -3.125 347 HE2 PHE 50 HE1 PHE 50 -4.607 -3.480 -6.161 348 HZ PHE 50 HZ PHE 50 -3.644 -1.353 -5.469 349 H CYS 51 HN CYS 51 -8.649 -4.558 0.414 350 HA CYS 51 HA CYS 51 -9.703 -7.106 -0.222 351 HB2 CYS 51 HB2 CYS 51 -9.843 -5.330 2.193 352 HB3 CYS 51 HB1 CYS 51 -10.914 -6.720 2.095 353 H ARG 52 HN ARG 52 -11.240 -3.980 0.396 354 HA ARG 52 HA ARG 52 -13.860 -4.918 -0.215 355 HB2 ARG 52 HB2 ARG 52 -13.683 -3.145 1.336 356 HB3 ARG 52 HB1 ARG 52 -12.633 -2.218 0.282 357 HG2 ARG 52 HG2 ARG 52 -14.437 -1.634 -1.138 358 HG3 ARG 52 HG1 ARG 52 -15.520 -2.779 -0.338 359 HD2 ARG 52 HD2 ARG 52 -15.727 -0.300 0.288 360 HD3 ARG 52 HD1 ARG 52 -15.656 -1.477 1.597 361 HE ARG 52 HE ARG 52 -13.522 -0.724 2.153 362 HH11 ARG 52 HH11 ARG 52 -14.746 0.953 -0.668 363 HH12 ARG 52 HH12 ARG 52 -13.580 2.231 -0.566 364 HH21 ARG 52 HH21 ARG 52 -11.996 0.956 2.296 365 HH22 ARG 52 HH22 ARG 52 -12.023 2.240 1.124 366 H MET 53 HN MET 53 -11.223 -4.065 -2.117 367 HA MET 53 HA MET 53 -12.622 -2.907 -4.339 368 HB2 MET 53 HB2 MET 53 -10.175 -2.561 -3.905 369 HB3 MET 53 HB1 MET 53 -9.906 -4.237 -4.364 370 HG2 MET 53 HG2 MET 53 -9.404 -2.699 -6.187 371 HG3 MET 53 HG1 MET 53 -10.728 -3.791 -6.593 372 HE1 MET 53 HE1 MET 53 -11.583 -0.422 -8.457 373 HE2 MET 53 HE2 MET 53 -11.259 -2.143 -8.655 374 HE3 MET 53 HE3 MET 53 -9.971 -1.056 -8.138 375 H LYS 54 HN LYS 54 -11.620 -6.100 -3.372 376 HA LYS 54 HA LYS 54 -12.938 -7.228 -5.745 377 HB2 LYS 54 HB2 LYS 54 -10.839 -8.370 -3.897 378 HB3 LYS 54 HB1 LYS 54 -11.756 -9.377 -5.007 379 HG2 LYS 54 HG2 LYS 54 -10.006 -7.056 -5.821 380 HG3 LYS 54 HG1 LYS 54 -9.555 -8.761 -5.894 381 HD2 LYS 54 HD2 LYS 54 -11.352 -9.191 -7.475 382 HD3 LYS 54 HD1 LYS 54 -11.880 -7.513 -7.359 383 HE2 LYS 54 HE2 LYS 54 -10.579 -7.879 -9.382 384 HE3 LYS 54 HE1 LYS 54 -9.754 -6.771 -8.290 385 HZ1 LYS 54 HZ1 LYS 54 -8.315 -8.551 -7.584 386 HZ2 LYS 54 HZ2 LYS 54 -8.255 -8.413 -9.266 387 HZ3 LYS 54 HZ3 LYS 54 -9.142 -9.662 -8.557 388 H GLU 55 HN GLU 55 -14.639 -6.242 -4.042 389 HA GLU 55 HA GLU 55 -15.648 -8.529 -2.490 390 HB2 GLU 55 HB2 GLU 55 -14.812 -6.725 -1.025 391 HB3 GLU 55 HB1 GLU 55 -15.890 -5.588 -1.818 392 HG2 GLU 55 HG2 GLU 55 -16.880 -6.201 0.240 393 HG3 GLU 55 HG1 GLU 55 -17.802 -6.990 -1.041 394 H SER 56 HN SER 56 -17.670 -9.154 -3.042 395 HA SER 56 HA SER 56 -19.078 -7.591 -5.045 396 HB2 SER 56 HB2 SER 56 -18.833 -10.098 -5.230 397 HB3 SER 56 HB1 SER 56 -19.889 -10.245 -3.830 398 HG SER 56 HG SER 56 -21.303 -8.781 -5.286 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 13.473 -3.174 13.885 2 H2 GLY 1 HT2 GLY 1 14.921 -3.334 13.029 3 H3 GLY 1 HT3 GLY 1 13.838 -4.631 13.106 4 HA2 GLY 1 HA1 GLY 1 12.201 -3.387 11.852 5 HA3 GLY 1 HA2 GLY 1 13.316 -2.029 11.781 6 H ALA 2 HN ALA 2 12.069 -3.728 9.677 7 HA ALA 2 HA ALA 2 12.574 -4.660 7.676 8 HB1 ALA 2 HB1 ALA 2 13.676 -2.498 7.382 9 HB2 ALA 2 HB2 ALA 2 14.528 -3.779 6.520 10 HB3 ALA 2 HB3 ALA 2 15.167 -3.169 8.047 11 H MET 3 HN MET 3 12.655 -6.680 9.136 12 HA MET 3 HA MET 3 15.142 -8.091 8.487 13 HB2 MET 3 HB2 MET 3 13.819 -8.046 11.205 14 HB3 MET 3 HB1 MET 3 14.960 -9.290 10.720 15 HG2 MET 3 HG2 MET 3 16.706 -7.641 10.452 16 HG3 MET 3 HG1 MET 3 15.573 -6.340 10.811 17 HE1 MET 3 HE1 MET 3 16.882 -9.519 13.895 18 HE2 MET 3 HE2 MET 3 17.418 -9.500 12.215 19 HE3 MET 3 HE3 MET 3 15.737 -9.863 12.601 20 H GLY 4 HN GLY 4 12.747 -8.139 7.080 21 HA2 GLY 4 HA2 GLY 4 12.255 -10.908 6.915 22 HA3 GLY 4 HA1 GLY 4 10.948 -10.154 7.813 23 H MET 5 HN MET 5 9.403 -9.016 6.737 24 HA MET 5 HA MET 5 9.736 -8.815 3.821 25 HB2 MET 5 HB2 MET 5 7.237 -9.436 5.405 26 HB3 MET 5 HB1 MET 5 7.243 -9.069 3.686 27 HG2 MET 5 HG2 MET 5 8.620 -11.024 3.253 28 HG3 MET 5 HG1 MET 5 8.680 -11.381 4.978 29 HE1 MET 5 HE1 MET 5 6.405 -14.230 3.527 30 HE2 MET 5 HE2 MET 5 7.856 -13.863 4.460 31 HE3 MET 5 HE3 MET 5 7.792 -13.477 2.740 32 H ARG 6 HN ARG 6 10.697 -6.740 4.819 33 HA ARG 6 HA ARG 6 8.564 -4.706 4.908 34 HB2 ARG 6 HB2 ARG 6 10.043 -5.032 6.990 35 HB3 ARG 6 HB1 ARG 6 11.344 -4.357 6.024 36 HG2 ARG 6 HG2 ARG 6 10.629 -2.472 7.062 37 HG3 ARG 6 HG1 ARG 6 9.595 -2.425 5.635 38 HD2 ARG 6 HD2 ARG 6 8.857 -3.416 8.385 39 HD3 ARG 6 HD1 ARG 6 8.268 -1.962 7.592 40 HE ARG 6 HE ARG 6 7.658 -4.685 6.631 41 HH11 ARG 6 HH11 ARG 6 6.697 -1.380 7.316 42 HH12 ARG 6 HH12 ARG 6 5.045 -1.637 6.859 43 HH21 ARG 6 HH21 ARG 6 5.474 -5.019 6.043 44 HH22 ARG 6 HH22 ARG 6 4.350 -3.700 6.134 45 H ASN 7 HN ASN 7 9.221 -5.505 2.468 46 HA ASN 7 HA ASN 7 11.529 -4.196 1.392 47 HB2 ASN 7 HB2 ASN 7 10.671 -6.228 0.349 48 HB3 ASN 7 HB1 ASN 7 9.159 -5.412 -0.028 49 HD21 ASN 7 HD21 ASN 7 9.285 -5.588 -2.231 50 HD22 ASN 7 HD22 ASN 7 10.494 -4.805 -3.184 51 H LEU 8 HN LEU 8 11.181 -2.062 2.126 52 HA LEU 8 HA LEU 8 9.444 -0.568 0.291 53 HB2 LEU 8 HB2 LEU 8 9.358 1.209 2.078 54 HB3 LEU 8 HB1 LEU 8 8.462 -0.256 2.412 55 HG LEU 8 HG LEU 8 10.532 -0.979 3.771 56 HD11 LEU 8 HD11 LEU 8 11.870 0.807 4.696 57 HD12 LEU 8 HD12 LEU 8 11.016 1.993 3.710 58 HD13 LEU 8 HD13 LEU 8 12.033 0.777 2.940 59 HD21 LEU 8 HD21 LEU 8 8.802 1.301 4.713 60 HD22 LEU 8 HD22 LEU 8 9.696 0.184 5.744 61 HD23 LEU 8 HD23 LEU 8 8.372 -0.409 4.742 62 H ASP 9 HN ASP 9 12.348 -1.494 0.501 63 HA ASP 9 HA ASP 9 13.877 0.942 0.592 64 HB2 ASP 9 HB2 ASP 9 14.827 -1.226 1.312 65 HB3 ASP 9 HB1 ASP 9 14.697 -1.817 -0.338 66 H GLU 10 HN GLU 10 12.418 -1.078 -1.806 67 HA GLU 10 HA GLU 10 13.578 0.404 -4.028 68 HB2 GLU 10 HB2 GLU 10 11.552 -1.842 -3.992 69 HB3 GLU 10 HB1 GLU 10 12.310 -1.175 -5.430 70 HG2 GLU 10 HG2 GLU 10 13.874 -2.422 -3.196 71 HG3 GLU 10 HG1 GLU 10 13.262 -3.338 -4.571 72 H CYS 11 HN CYS 11 11.241 1.002 -1.912 73 HA CYS 11 HA CYS 11 9.296 2.051 -3.842 74 HB2 CYS 11 HB2 CYS 11 8.558 0.383 -2.100 75 HB3 CYS 11 HB1 CYS 11 8.918 1.597 -0.886 76 H GLU 12 HN GLU 12 10.152 4.029 -4.320 77 HA GLU 12 HA GLU 12 11.526 5.649 -2.461 78 HB2 GLU 12 HB2 GLU 12 10.342 6.275 -5.157 79 HB3 GLU 12 HB1 GLU 12 11.286 7.426 -4.223 80 HG2 GLU 12 HG2 GLU 12 12.248 4.763 -5.248 81 HG3 GLU 12 HG1 GLU 12 12.655 6.348 -5.903 82 H VAL 13 HN VAL 13 8.156 5.357 -3.274 83 HA VAL 13 HA VAL 13 7.399 7.826 -2.083 84 HB VAL 13 HB VAL 13 5.930 6.774 -3.698 85 HG11 VAL 13 HG11 VAL 13 4.649 4.777 -3.151 86 HG12 VAL 13 HG12 VAL 13 5.576 4.594 -1.663 87 HG13 VAL 13 HG13 VAL 13 6.377 4.449 -3.227 88 HG21 VAL 13 HG21 VAL 13 4.674 6.877 -0.963 89 HG22 VAL 13 HG22 VAL 13 3.816 6.977 -2.501 90 HG23 VAL 13 HG23 VAL 13 4.939 8.255 -2.032 91 H CYS 14 HN CYS 14 7.566 4.470 -0.900 92 HA CYS 14 HA CYS 14 6.740 5.038 1.741 93 HB2 CYS 14 HB2 CYS 14 8.239 2.834 0.438 94 HB3 CYS 14 HB1 CYS 14 8.390 2.986 2.182 95 H ARG 15 HN ARG 15 9.777 5.303 0.078 96 HA ARG 15 HA ARG 15 11.465 5.826 2.275 97 HB2 ARG 15 HB2 ARG 15 12.287 5.277 0.027 98 HB3 ARG 15 HB1 ARG 15 11.630 6.785 -0.585 99 HG2 ARG 15 HG2 ARG 15 13.188 8.034 0.811 100 HG3 ARG 15 HG1 ARG 15 13.854 6.520 1.426 101 HD2 ARG 15 HD2 ARG 15 14.468 5.894 -0.883 102 HD3 ARG 15 HD1 ARG 15 13.872 7.456 -1.438 103 HE ARG 15 HE ARG 15 15.760 7.937 0.554 104 HH11 ARG 15 HH11 ARG 15 15.617 6.609 -2.688 105 HH12 ARG 15 HH12 ARG 15 17.272 7.011 -3.055 106 HH21 ARG 15 HH21 ARG 15 17.913 8.499 0.058 107 HH22 ARG 15 HH22 ARG 15 18.573 8.089 -1.497 108 H ASP 16 HN ASP 16 9.501 7.892 0.229 109 HA ASP 16 HA ASP 16 10.125 10.322 1.549 110 HB2 ASP 16 HB2 ASP 16 9.258 10.292 -0.716 111 HB3 ASP 16 HB1 ASP 16 7.766 9.538 -0.173 112 H GLY 17 HN GLY 17 8.244 7.688 2.487 113 HA2 GLY 17 HA2 GLY 17 7.367 7.526 4.692 114 HA3 GLY 17 HA1 GLY 17 7.121 9.268 4.689 115 H GLY 18 HN GLY 18 6.165 7.461 1.909 116 HA2 GLY 18 HA2 GLY 18 3.535 8.320 1.872 117 HA3 GLY 18 HA1 GLY 18 4.131 6.907 1.023 118 H GLU 19 HN GLU 19 1.559 7.282 2.166 119 HA GLU 19 HA GLU 19 1.552 5.584 4.553 120 HB2 GLU 19 HB2 GLU 19 -0.641 7.234 3.286 121 HB3 GLU 19 HB1 GLU 19 -0.814 6.304 4.768 122 HG2 GLU 19 HG2 GLU 19 0.939 7.720 5.802 123 HG3 GLU 19 HG1 GLU 19 0.987 8.681 4.326 124 H LEU 20 HN LEU 20 0.453 3.660 4.636 125 HA LEU 20 HA LEU 20 -0.253 2.498 2.038 126 HB2 LEU 20 HB2 LEU 20 0.630 1.329 4.649 127 HB3 LEU 20 HB1 LEU 20 -0.215 0.340 3.475 128 HG LEU 20 HG LEU 20 2.324 1.836 2.817 129 HD11 LEU 20 HD11 LEU 20 2.784 0.280 4.633 130 HD12 LEU 20 HD12 LEU 20 3.475 -0.308 3.122 131 HD13 LEU 20 HD13 LEU 20 1.984 -1.015 3.743 132 HD21 LEU 20 HD21 LEU 20 1.014 1.193 0.881 133 HD22 LEU 20 HD22 LEU 20 0.858 -0.452 1.495 134 HD23 LEU 20 HD23 LEU 20 2.435 0.157 0.999 135 H PHE 21 HN PHE 21 -2.309 2.222 1.540 136 HA PHE 21 HA PHE 21 -4.290 2.242 3.719 137 HB2 PHE 21 HB2 PHE 21 -4.648 2.908 0.783 138 HB3 PHE 21 HB1 PHE 21 -5.925 2.957 2.000 139 HD1 PHE 21 HD1 PHE 21 -5.612 4.545 3.981 140 HD2 PHE 21 HD2 PHE 21 -3.289 4.778 0.414 141 HE1 PHE 21 HE1 PHE 21 -4.993 6.854 4.534 142 HE2 PHE 21 HE2 PHE 21 -2.675 7.088 0.968 143 HZ PHE 21 HZ PHE 21 -3.525 8.131 3.032 144 H CYS 22 HN CYS 22 -2.866 -0.050 3.179 145 HA CYS 22 HA CYS 22 -4.947 -1.824 2.113 146 HB2 CYS 22 HB2 CYS 22 -1.948 -2.061 1.713 147 HB3 CYS 22 HB1 CYS 22 -3.128 -3.273 1.216 148 H CYS 23 HN CYS 23 -4.977 -3.927 3.119 149 HA CYS 23 HA CYS 23 -4.145 -3.854 5.883 150 HB2 CYS 23 HB2 CYS 23 -5.412 -5.860 6.176 151 HB3 CYS 23 HB1 CYS 23 -6.348 -4.855 5.075 152 H ASP 24 HN ASP 24 -2.982 -5.866 6.772 153 HA ASP 24 HA ASP 24 -0.384 -5.766 5.859 154 HB2 ASP 24 HB2 ASP 24 -1.695 -8.015 7.398 155 HB3 ASP 24 HB1 ASP 24 0.041 -7.797 7.219 156 H THR 25 HN THR 25 -2.844 -8.165 5.068 157 HA THR 25 HA THR 25 -1.197 -9.897 3.598 158 HB THR 25 HB THR 25 -4.150 -9.425 3.184 159 HG1 THR 25 HG1 THR 25 -3.145 -11.483 4.808 160 HG21 THR 25 HG21 THR 25 -4.164 -11.766 2.457 161 HG22 THR 25 HG22 THR 25 -2.417 -11.849 2.682 162 HG23 THR 25 HG23 THR 25 -3.098 -10.794 1.443 163 H CYS 26 HN CYS 26 -3.329 -7.253 2.467 164 HA CYS 26 HA CYS 26 -2.661 -7.707 -0.271 165 HB2 CYS 26 HB2 CYS 26 -3.989 -5.318 1.005 166 HB3 CYS 26 HB1 CYS 26 -3.890 -5.614 -0.723 167 H SER 27 HN SER 27 -1.410 -5.576 2.234 168 HA SER 27 HA SER 27 0.021 -3.824 0.549 169 HB2 SER 27 HB2 SER 27 0.665 -4.668 3.386 170 HB3 SER 27 HB1 SER 27 1.302 -3.248 2.559 171 HG SER 27 HG SER 27 -0.434 -2.639 3.839 172 H ARG 28 HN ARG 28 0.694 -7.027 1.741 173 HA ARG 28 HA ARG 28 3.441 -7.018 0.908 174 HB2 ARG 28 HB2 ARG 28 1.548 -9.170 1.823 175 HB3 ARG 28 HB1 ARG 28 3.181 -9.532 1.281 176 HG2 ARG 28 HG2 ARG 28 4.128 -8.258 3.062 177 HG3 ARG 28 HG1 ARG 28 2.543 -7.636 3.528 178 HD2 ARG 28 HD2 ARG 28 3.391 -9.484 4.974 179 HD3 ARG 28 HD1 ARG 28 1.822 -9.799 4.234 180 HE ARG 28 HE ARG 28 4.049 -10.820 2.723 181 HH11 ARG 28 HH11 ARG 28 1.824 -11.487 5.341 182 HH12 ARG 28 HH12 ARG 28 1.944 -13.210 5.164 183 HH21 ARG 28 HH21 ARG 28 4.196 -13.074 2.487 184 HH22 ARG 28 HH22 ARG 28 3.288 -14.112 3.542 185 H VAL 29 HN VAL 29 0.373 -8.058 -0.450 186 HA VAL 29 HA VAL 29 1.629 -9.464 -2.628 187 HB VAL 29 HB VAL 29 -1.284 -8.728 -2.295 188 HG11 VAL 29 HG11 VAL 29 0.042 -10.756 -4.090 189 HG12 VAL 29 HG12 VAL 29 -0.695 -9.241 -4.606 190 HG13 VAL 29 HG13 VAL 29 -1.695 -10.518 -3.914 191 HG21 VAL 29 HG21 VAL 29 -0.556 -10.123 -0.454 192 HG22 VAL 29 HG22 VAL 29 0.176 -11.264 -1.579 193 HG23 VAL 29 HG23 VAL 29 -1.573 -11.055 -1.549 194 H PHE 30 HN PHE 30 -0.134 -6.416 -2.217 195 HA PHE 30 HA PHE 30 0.736 -5.647 -4.928 196 HB2 PHE 30 HB2 PHE 30 -1.803 -4.763 -3.528 197 HB3 PHE 30 HB1 PHE 30 -1.307 -4.331 -5.157 198 HD1 PHE 30 HD1 PHE 30 -0.891 -6.428 -6.749 199 HD2 PHE 30 HD2 PHE 30 -3.344 -6.416 -3.271 200 HE1 PHE 30 HE1 PHE 30 -2.141 -8.352 -7.627 201 HE2 PHE 30 HE2 PHE 30 -4.593 -8.343 -4.138 202 HZ PHE 30 HZ PHE 30 -3.995 -9.315 -6.322 203 H HIS 31 HN HIS 31 2.508 -5.059 -3.013 204 HA HIS 31 HA HIS 31 2.055 -2.757 -1.486 205 HB2 HIS 31 HB2 HIS 31 3.962 -4.309 -1.157 206 HB3 HIS 31 HB1 HIS 31 4.690 -3.691 -2.637 207 HD1 HIS 31 HD1 HIS 31 3.743 -2.482 0.847 208 HD2 HIS 31 HD2 HIS 31 6.246 -1.487 -2.313 209 HE1 HIS 31 HE1 HIS 31 5.259 -0.632 1.692 210 H GLU 32 HN GLU 32 3.486 -3.087 -4.723 211 HA GLU 32 HA GLU 32 4.148 -0.340 -4.991 212 HB2 GLU 32 HB2 GLU 32 3.754 -2.510 -7.053 213 HB3 GLU 32 HB1 GLU 32 4.329 -0.895 -7.438 214 HG2 GLU 32 HG2 GLU 32 6.303 -1.226 -6.101 215 HG3 GLU 32 HG1 GLU 32 5.711 -2.795 -5.555 216 H ASP 33 HN ASP 33 1.369 -2.270 -5.814 217 HA ASP 33 HA ASP 33 0.046 -0.245 -7.337 218 HB2 ASP 33 HB2 ASP 33 -1.113 -2.724 -6.048 219 HB3 ASP 33 HB1 ASP 33 -1.880 -1.759 -7.300 220 H CYS 34 HN CYS 34 0.307 -1.036 -3.993 221 HA CYS 34 HA CYS 34 -2.127 0.146 -3.093 222 HB2 CYS 34 HB2 CYS 34 -0.690 -1.544 -1.812 223 HB3 CYS 34 HB1 CYS 34 0.395 -0.200 -1.461 224 H HIS 35 HN HIS 35 0.795 1.474 -4.198 225 HA HIS 35 HA HIS 35 0.393 3.965 -2.702 226 HB2 HIS 35 HB2 HIS 35 2.722 3.025 -4.382 227 HB3 HIS 35 HB1 HIS 35 2.648 4.575 -3.545 228 HD1 HIS 35 HD1 HIS 35 2.721 4.451 -0.862 229 HD2 HIS 35 HD2 HIS 35 3.372 0.860 -2.851 230 HE1 HIS 35 HE1 HIS 35 3.727 2.868 0.833 231 H ILE 36 HN ILE 36 -0.786 2.718 -5.402 232 HA ILE 36 HA ILE 36 -0.701 5.265 -6.873 233 HB ILE 36 HB ILE 36 -0.753 2.500 -8.097 234 HG12 ILE 36 HG12 ILE 36 1.468 4.559 -8.053 235 HG13 ILE 36 HG11 ILE 36 1.436 3.073 -7.111 236 HG21 ILE 36 HG21 ILE 36 -0.475 3.670 -10.234 237 HG22 ILE 36 HG22 ILE 36 -0.593 5.218 -9.395 238 HG23 ILE 36 HG23 ILE 36 -1.976 4.124 -9.427 239 HD11 ILE 36 HD11 ILE 36 1.503 3.250 -10.115 240 HD12 ILE 36 HD12 ILE 36 1.482 1.762 -9.167 241 HD13 ILE 36 HD13 ILE 36 2.863 2.854 -9.063 242 HA PRO 37 HA PRO 37 -1.702 6.526 -7.917 243 HB2 PRO 37 HB2 PRO 37 -3.919 8.286 -7.614 244 HB3 PRO 37 HB1 PRO 37 -3.308 7.597 -9.123 245 HG2 PRO 37 HG2 PRO 37 -5.777 7.035 -7.952 246 HG3 PRO 37 HG1 PRO 37 -4.984 6.072 -9.209 247 HD2 PRO 37 HD2 PRO 37 -5.107 5.617 -6.258 248 HD3 PRO 37 HD1 PRO 37 -5.102 4.433 -7.586 249 HA PRO 38 HA PRO 38 -0.766 8.786 -4.151 250 HB2 PRO 38 HB2 PRO 38 -1.497 11.292 -5.581 251 HB3 PRO 38 HB1 PRO 38 -0.024 10.894 -4.691 252 HG2 PRO 38 HG2 PRO 38 -0.044 10.935 -7.365 253 HG3 PRO 38 HG1 PRO 38 0.901 9.731 -6.466 254 HD2 PRO 38 HD2 PRO 38 -1.682 9.405 -7.936 255 HD3 PRO 38 HD1 PRO 38 -0.347 8.249 -7.726 256 H VAL 39 HN VAL 39 -1.994 9.175 -2.399 257 HA VAL 39 HA VAL 39 -4.812 9.125 -2.699 258 HB VAL 39 HB VAL 39 -3.771 7.969 -0.849 259 HG11 VAL 39 HG11 VAL 39 -2.937 10.703 0.082 260 HG12 VAL 39 HG12 VAL 39 -1.901 9.330 -0.310 261 HG13 VAL 39 HG13 VAL 39 -2.935 9.276 1.114 262 HG21 VAL 39 HG21 VAL 39 -5.528 10.206 0.136 263 HG22 VAL 39 HG22 VAL 39 -5.274 8.648 0.921 264 HG23 VAL 39 HG23 VAL 39 -6.092 8.726 -0.639 265 H GLU 40 HN GLU 40 -6.050 10.748 -3.153 266 HA GLU 40 HA GLU 40 -5.764 13.272 -1.750 267 HB2 GLU 40 HB2 GLU 40 -4.478 13.502 -3.892 268 HB3 GLU 40 HB1 GLU 40 -5.960 13.159 -4.769 269 HG2 GLU 40 HG2 GLU 40 -6.979 15.155 -3.684 270 HG3 GLU 40 HG1 GLU 40 -5.393 15.531 -3.012 271 H ALA 41 HN ALA 41 -7.623 12.061 -0.813 272 HA ALA 41 HA ALA 41 -10.108 12.994 -1.790 273 HB1 ALA 41 HB1 ALA 41 -11.155 10.840 -2.325 274 HB2 ALA 41 HB2 ALA 41 -9.597 10.038 -2.123 275 HB3 ALA 41 HB3 ALA 41 -9.825 11.204 -3.425 276 H GLU 42 HN GLU 42 -8.935 10.099 -0.115 277 HA GLU 42 HA GLU 42 -9.882 11.074 2.428 278 HB2 GLU 42 HB2 GLU 42 -11.228 8.974 2.803 279 HB3 GLU 42 HB1 GLU 42 -11.927 10.124 1.673 280 HG2 GLU 42 HG2 GLU 42 -11.011 8.776 -0.189 281 HG3 GLU 42 HG1 GLU 42 -10.469 7.585 0.991 282 H ARG 43 HN ARG 43 -8.452 10.458 3.951 283 HA ARG 43 HA ARG 43 -6.645 8.239 3.275 284 HB2 ARG 43 HB2 ARG 43 -6.195 10.481 5.251 285 HB3 ARG 43 HB1 ARG 43 -5.038 9.233 4.813 286 HG2 ARG 43 HG2 ARG 43 -5.265 10.123 2.426 287 HG3 ARG 43 HG1 ARG 43 -6.031 11.528 3.167 288 HD2 ARG 43 HD2 ARG 43 -4.021 11.815 4.589 289 HD3 ARG 43 HD1 ARG 43 -3.261 10.478 3.726 290 HE ARG 43 HE ARG 43 -4.208 12.733 2.143 291 HH11 ARG 43 HH11 ARG 43 -1.490 11.018 3.561 292 HH12 ARG 43 HH12 ARG 43 -0.317 11.861 2.593 293 HH21 ARG 43 HH21 ARG 43 -2.665 13.822 0.873 294 HH22 ARG 43 HH22 ARG 43 -0.979 13.452 1.071 295 H THR 44 HN THR 44 -7.584 6.467 4.093 296 HA THR 44 HA THR 44 -8.064 6.450 6.992 297 HB THR 44 HB THR 44 -9.759 4.639 6.558 298 HG1 THR 44 HG1 THR 44 -9.029 4.160 4.393 299 HG21 THR 44 HG21 THR 44 -11.543 6.165 5.887 300 HG22 THR 44 HG22 THR 44 -10.348 7.311 5.276 301 HG23 THR 44 HG23 THR 44 -10.434 6.964 7.003 302 HA PRO 45 HA PRO 45 -4.622 3.545 6.014 303 HB2 PRO 45 HB2 PRO 45 -3.930 4.052 8.836 304 HB3 PRO 45 HB1 PRO 45 -2.937 4.231 7.383 305 HG2 PRO 45 HG2 PRO 45 -3.848 6.367 8.729 306 HG3 PRO 45 HG1 PRO 45 -3.705 6.369 6.960 307 HD2 PRO 45 HD2 PRO 45 -6.149 5.998 8.663 308 HD3 PRO 45 HD1 PRO 45 -5.954 6.945 7.169 309 H TRP 46 HN TRP 46 -7.079 3.531 8.433 310 HA TRP 46 HA TRP 46 -6.455 0.801 9.256 311 HB2 TRP 46 HB2 TRP 46 -8.351 1.104 10.855 312 HB3 TRP 46 HB1 TRP 46 -7.080 2.305 11.051 313 HD1 TRP 46 HD1 TRP 46 -10.720 1.950 9.931 314 HE1 TRP 46 HE1 TRP 46 -11.786 4.288 9.833 315 HE3 TRP 46 HE3 TRP 46 -6.532 4.787 10.701 316 HZ2 TRP 46 HZ2 TRP 46 -10.963 6.973 10.054 317 HZ3 TRP 46 HZ3 TRP 46 -6.765 7.238 10.743 318 HH2 TRP 46 HH2 TRP 46 -8.925 8.302 10.423 319 H ASN 47 HN ASN 47 -7.469 1.610 6.546 320 HA ASN 47 HA ASN 47 -9.635 -0.345 6.407 321 HB2 ASN 47 HB2 ASN 47 -10.708 1.898 6.514 322 HB3 ASN 47 HB1 ASN 47 -9.769 2.397 5.112 323 HD21 ASN 47 HD21 ASN 47 -11.248 -0.767 5.555 324 HD22 ASN 47 HD22 ASN 47 -12.383 -0.610 4.262 325 H CYS 48 HN CYS 48 -9.307 -1.731 4.734 326 HA CYS 48 HA CYS 48 -7.023 -1.190 3.023 327 HB2 CYS 48 HB2 CYS 48 -7.253 -3.395 4.153 328 HB3 CYS 48 HB1 CYS 48 -8.728 -3.689 3.237 329 H ILE 49 HN ILE 49 -7.225 -0.381 1.051 330 HA ILE 49 HA ILE 49 -9.814 -0.038 -0.122 331 HB ILE 49 HB ILE 49 -8.561 0.963 -2.060 332 HG12 ILE 49 HG12 ILE 49 -6.165 0.699 -0.238 333 HG13 ILE 49 HG11 ILE 49 -6.431 -0.300 -1.663 334 HG21 ILE 49 HG21 ILE 49 -8.027 2.097 0.682 335 HG22 ILE 49 HG22 ILE 49 -9.489 2.320 -0.272 336 HG23 ILE 49 HG23 ILE 49 -7.960 2.996 -0.830 337 HD11 ILE 49 HD11 ILE 49 -4.875 1.504 -2.129 338 HD12 ILE 49 HD12 ILE 49 -6.080 2.690 -1.630 339 HD13 ILE 49 HD13 ILE 49 -6.356 1.705 -3.065 340 H PHE 50 HN PHE 50 -7.259 -2.359 -0.497 341 HA PHE 50 HA PHE 50 -8.146 -3.206 -3.110 342 HB2 PHE 50 HB2 PHE 50 -5.951 -4.058 -1.278 343 HB3 PHE 50 HB1 PHE 50 -6.520 -5.208 -2.491 344 HD1 PHE 50 HD2 PHE 50 -5.046 -1.868 -1.989 345 HD2 PHE 50 HD1 PHE 50 -6.007 -4.922 -4.787 346 HE1 PHE 50 HE2 PHE 50 -3.648 -0.756 -3.675 347 HE2 PHE 50 HE1 PHE 50 -4.605 -3.820 -6.476 348 HZ PHE 50 HZ PHE 50 -3.534 -1.685 -5.979 349 H CYS 51 HN CYS 51 -8.712 -4.174 0.201 350 HA CYS 51 HA CYS 51 -9.791 -6.727 -0.421 351 HB2 CYS 51 HB2 CYS 51 -9.726 -4.981 1.985 352 HB3 CYS 51 HB1 CYS 51 -10.955 -6.238 1.933 353 H ARG 52 HN ARG 52 -11.351 -3.582 0.280 354 HA ARG 52 HA ARG 52 -13.884 -4.744 -0.542 355 HB2 ARG 52 HB2 ARG 52 -14.876 -2.610 0.227 356 HB3 ARG 52 HB1 ARG 52 -13.978 -3.455 1.475 357 HG2 ARG 52 HG2 ARG 52 -12.103 -1.949 1.190 358 HG3 ARG 52 HG1 ARG 52 -12.945 -1.122 -0.125 359 HD2 ARG 52 HD2 ARG 52 -13.094 0.097 2.007 360 HD3 ARG 52 HD1 ARG 52 -14.677 -0.389 1.401 361 HE ARG 52 HE ARG 52 -13.564 -2.282 3.245 362 HH11 ARG 52 HH11 ARG 52 -15.309 0.738 2.996 363 HH12 ARG 52 HH12 ARG 52 -16.091 0.568 4.534 364 HH21 ARG 52 HH21 ARG 52 -14.575 -2.504 5.291 365 HH22 ARG 52 HH22 ARG 52 -15.657 -1.265 5.846 366 H MET 53 HN MET 53 -11.397 -3.508 -2.130 367 HA MET 53 HA MET 53 -11.025 -2.637 -4.175 368 HB2 MET 53 HB2 MET 53 -13.801 -3.726 -4.597 369 HB3 MET 53 HB1 MET 53 -12.826 -3.052 -5.895 370 HG2 MET 53 HG2 MET 53 -12.114 -5.424 -4.186 371 HG3 MET 53 HG1 MET 53 -12.681 -5.472 -5.854 372 HE1 MET 53 HE1 MET 53 -11.284 -4.433 -7.902 373 HE2 MET 53 HE2 MET 53 -9.680 -3.725 -7.728 374 HE3 MET 53 HE3 MET 53 -11.083 -2.904 -7.046 375 H LYS 54 HN LYS 54 -11.485 -0.648 -2.499 376 HA LYS 54 HA LYS 54 -13.489 1.173 -3.340 377 HB2 LYS 54 HB2 LYS 54 -12.343 1.467 -1.189 378 HB3 LYS 54 HB1 LYS 54 -10.815 1.719 -2.022 379 HG2 LYS 54 HG2 LYS 54 -11.751 3.753 -3.071 380 HG3 LYS 54 HG1 LYS 54 -13.231 3.523 -2.143 381 HD2 LYS 54 HD2 LYS 54 -10.504 3.843 -0.901 382 HD3 LYS 54 HD1 LYS 54 -11.623 5.178 -1.169 383 HE2 LYS 54 HE2 LYS 54 -12.362 2.726 0.404 384 HE3 LYS 54 HE1 LYS 54 -11.621 4.141 1.146 385 HZ1 LYS 54 HZ1 LYS 54 -14.138 4.245 -0.423 386 HZ2 LYS 54 HZ2 LYS 54 -13.472 5.471 0.544 387 HZ3 LYS 54 HZ3 LYS 54 -14.090 4.069 1.256 388 H GLU 55 HN GLU 55 -13.551 1.362 -5.522 389 HA GLU 55 HA GLU 55 -11.252 2.693 -6.770 390 HB2 GLU 55 HB2 GLU 55 -11.350 0.302 -7.446 391 HB3 GLU 55 HB1 GLU 55 -12.965 0.574 -8.081 392 HG2 GLU 55 HG2 GLU 55 -11.324 0.580 -9.859 393 HG3 GLU 55 HG1 GLU 55 -12.064 2.172 -9.689 394 H SER 56 HN SER 56 -11.960 4.695 -7.105 395 HA SER 56 HA SER 56 -14.512 5.037 -8.489 396 HB2 SER 56 HB2 SER 56 -14.899 7.083 -7.033 397 HB3 SER 56 HB1 SER 56 -15.087 5.526 -6.227 398 HG SER 56 HG SER 56 -12.665 6.997 -6.201 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 4.913 -12.189 -4.760 2 H2 GLY 1 HT2 GLY 1 4.052 -11.268 -5.884 3 H3 GLY 1 HT3 GLY 1 3.399 -12.710 -5.298 4 HA2 GLY 1 HA1 GLY 1 3.901 -10.252 -3.720 5 HA3 GLY 1 HA2 GLY 1 2.329 -10.833 -4.250 6 H ALA 2 HN ALA 2 3.968 -10.481 -1.588 7 HA ALA 2 HA ALA 2 3.937 -11.388 0.486 8 HB1 ALA 2 HB1 ALA 2 1.711 -13.113 -0.593 9 HB2 ALA 2 HB2 ALA 2 1.517 -11.514 0.123 10 HB3 ALA 2 HB3 ALA 2 2.094 -12.858 1.109 11 H MET 3 HN MET 3 5.856 -12.340 -1.235 12 HA MET 3 HA MET 3 6.450 -14.859 0.065 13 HB2 MET 3 HB2 MET 3 5.200 -15.431 -2.050 14 HB3 MET 3 HB1 MET 3 6.504 -14.680 -2.957 15 HG2 MET 3 HG2 MET 3 8.075 -16.319 -2.131 16 HG3 MET 3 HG1 MET 3 6.833 -17.032 -1.103 17 HE1 MET 3 HE1 MET 3 4.841 -18.495 -1.960 18 HE2 MET 3 HE2 MET 3 4.405 -18.659 -3.660 19 HE3 MET 3 HE3 MET 3 4.268 -17.094 -2.862 20 H GLY 4 HN GLY 4 7.332 -11.926 -0.415 21 HA2 GLY 4 HA2 GLY 4 10.123 -12.492 -1.186 22 HA3 GLY 4 HA1 GLY 4 9.346 -10.923 -1.336 23 H MET 5 HN MET 5 11.210 -10.117 -0.149 24 HA MET 5 HA MET 5 10.908 -10.541 2.748 25 HB2 MET 5 HB2 MET 5 13.465 -10.112 1.190 26 HB3 MET 5 HB1 MET 5 13.360 -10.066 2.944 27 HG2 MET 5 HG2 MET 5 12.635 -12.392 2.974 28 HG3 MET 5 HG1 MET 5 12.703 -12.445 1.214 29 HE1 MET 5 HE1 MET 5 14.158 -14.560 3.066 30 HE2 MET 5 HE2 MET 5 15.732 -14.690 2.282 31 HE3 MET 5 HE3 MET 5 14.267 -14.597 1.307 32 H ARG 6 HN ARG 6 9.355 -8.730 2.173 33 HA ARG 6 HA ARG 6 8.720 -6.566 2.279 34 HB2 ARG 6 HB2 ARG 6 11.380 -6.374 3.668 35 HB3 ARG 6 HB1 ARG 6 10.305 -4.995 3.504 36 HG2 ARG 6 HG2 ARG 6 8.566 -6.220 4.731 37 HG3 ARG 6 HG1 ARG 6 9.674 -7.582 4.914 38 HD2 ARG 6 HD2 ARG 6 11.194 -6.233 6.205 39 HD3 ARG 6 HD1 ARG 6 10.223 -4.794 5.913 40 HE ARG 6 HE ARG 6 8.501 -6.507 7.136 41 HH11 ARG 6 HH11 ARG 6 11.667 -5.243 7.922 42 HH12 ARG 6 HH12 ARG 6 11.409 -5.298 9.635 43 HH21 ARG 6 HH21 ARG 6 8.150 -6.566 9.403 44 HH22 ARG 6 HH22 ARG 6 9.408 -6.050 10.477 45 H ASN 7 HN ASN 7 8.570 -6.072 0.153 46 HA ASN 7 HA ASN 7 10.908 -5.372 -1.405 47 HB2 ASN 7 HB2 ASN 7 8.873 -6.639 -2.283 48 HB3 ASN 7 HB1 ASN 7 8.016 -5.105 -2.238 49 HD21 ASN 7 HD21 ASN 7 10.649 -6.866 -3.723 50 HD22 ASN 7 HD22 ASN 7 10.781 -5.870 -5.128 51 H LEU 8 HN LEU 8 9.477 -3.795 0.921 52 HA LEU 8 HA LEU 8 8.784 -1.289 -0.181 53 HB2 LEU 8 HB2 LEU 8 8.901 -0.465 2.150 54 HB3 LEU 8 HB1 LEU 8 7.903 -1.890 1.949 55 HG LEU 8 HG LEU 8 10.146 -3.119 2.675 56 HD11 LEU 8 HD11 LEU 8 10.370 -0.433 4.025 57 HD12 LEU 8 HD12 LEU 8 11.467 -1.058 2.796 58 HD13 LEU 8 HD13 LEU 8 11.352 -1.859 4.364 59 HD21 LEU 8 HD21 LEU 8 8.244 -1.744 4.566 60 HD22 LEU 8 HD22 LEU 8 9.289 -3.104 4.971 61 HD23 LEU 8 HD23 LEU 8 7.997 -3.306 3.789 62 H ASP 9 HN ASP 9 11.787 -2.745 0.233 63 HA ASP 9 HA ASP 9 13.364 -0.394 0.642 64 HB2 ASP 9 HB2 ASP 9 14.284 -2.638 1.082 65 HB3 ASP 9 HB1 ASP 9 14.140 -3.033 -0.627 66 H GLU 10 HN GLU 10 12.079 -2.115 -2.088 67 HA GLU 10 HA GLU 10 13.221 -0.225 -3.979 68 HB2 GLU 10 HB2 GLU 10 11.455 -2.635 -4.415 69 HB3 GLU 10 HB1 GLU 10 12.182 -1.664 -5.689 70 HG2 GLU 10 HG2 GLU 10 14.401 -2.275 -4.926 71 HG3 GLU 10 HG1 GLU 10 13.705 -3.202 -3.599 72 H CYS 11 HN CYS 11 10.977 0.132 -1.906 73 HA CYS 11 HA CYS 11 8.961 1.324 -3.679 74 HB2 CYS 11 HB2 CYS 11 8.139 -0.292 -1.991 75 HB3 CYS 11 HB1 CYS 11 8.822 0.709 -0.721 76 H GLU 12 HN GLU 12 9.948 3.224 -4.187 77 HA GLU 12 HA GLU 12 11.558 4.712 -2.422 78 HB2 GLU 12 HB2 GLU 12 10.139 5.734 -4.880 79 HB3 GLU 12 HB1 GLU 12 11.601 6.386 -4.146 80 HG2 GLU 12 HG2 GLU 12 12.759 4.260 -4.675 81 HG3 GLU 12 HG1 GLU 12 11.308 3.722 -5.517 82 H VAL 13 HN VAL 13 8.148 4.730 -3.113 83 HA VAL 13 HA VAL 13 7.604 7.239 -1.929 84 HB VAL 13 HB VAL 13 6.046 6.317 -3.516 85 HG11 VAL 13 HG11 VAL 13 5.546 4.113 -1.535 86 HG12 VAL 13 HG12 VAL 13 6.397 3.952 -3.071 87 HG13 VAL 13 HG13 VAL 13 4.685 4.367 -3.052 88 HG21 VAL 13 HG21 VAL 13 4.748 6.344 -0.804 89 HG22 VAL 13 HG22 VAL 13 3.973 6.674 -2.354 90 HG23 VAL 13 HG23 VAL 13 5.186 7.785 -1.720 91 H CYS 14 HN CYS 14 8.024 4.015 -0.650 92 HA CYS 14 HA CYS 14 6.876 4.521 1.911 93 HB2 CYS 14 HB2 CYS 14 8.457 2.388 0.689 94 HB3 CYS 14 HB1 CYS 14 8.867 2.663 2.376 95 H ARG 15 HN ARG 15 9.961 5.114 0.440 96 HA ARG 15 HA ARG 15 11.363 5.772 2.834 97 HB2 ARG 15 HB2 ARG 15 11.911 6.418 -0.060 98 HB3 ARG 15 HB1 ARG 15 13.003 6.836 1.254 99 HG2 ARG 15 HG2 ARG 15 13.357 4.526 1.778 100 HG3 ARG 15 HG1 ARG 15 12.121 4.032 0.620 101 HD2 ARG 15 HD2 ARG 15 13.445 4.811 -1.214 102 HD3 ARG 15 HD1 ARG 15 14.619 5.537 -0.121 103 HE ARG 15 HE ARG 15 14.573 2.865 0.525 104 HH11 ARG 15 HH11 ARG 15 15.189 4.721 -2.381 105 HH12 ARG 15 HH12 ARG 15 16.371 3.609 -2.996 106 HH21 ARG 15 HH21 ARG 15 16.140 1.401 -0.280 107 HH22 ARG 15 HH22 ARG 15 16.914 1.721 -1.798 108 H ASP 16 HN ASP 16 9.472 7.555 0.500 109 HA ASP 16 HA ASP 16 9.999 10.116 1.687 110 HB2 ASP 16 HB2 ASP 16 8.075 9.135 -0.401 111 HB3 ASP 16 HB1 ASP 16 7.929 10.761 0.258 112 H GLY 17 HN GLY 17 8.434 7.580 2.913 113 HA2 GLY 17 HA2 GLY 17 7.031 7.376 4.729 114 HA3 GLY 17 HA1 GLY 17 7.056 9.132 4.867 115 H GLY 18 HN GLY 18 6.133 7.528 1.928 116 HA2 GLY 18 HA2 GLY 18 3.734 8.931 1.639 117 HA3 GLY 18 HA1 GLY 18 4.176 7.487 0.750 118 H GLU 19 HN GLU 19 1.582 8.158 1.546 119 HA GLU 19 HA GLU 19 0.901 6.674 3.912 120 HB2 GLU 19 HB2 GLU 19 -0.762 8.051 1.801 121 HB3 GLU 19 HB1 GLU 19 -1.469 7.169 3.146 122 HG2 GLU 19 HG2 GLU 19 -1.455 9.527 3.625 123 HG3 GLU 19 HG1 GLU 19 -0.354 8.693 4.716 124 H LEU 20 HN LEU 20 -0.498 4.847 3.942 125 HA LEU 20 HA LEU 20 -0.416 3.200 1.506 126 HB2 LEU 20 HB2 LEU 20 1.407 2.552 3.018 127 HB3 LEU 20 HB1 LEU 20 0.258 2.318 4.317 128 HG LEU 20 HG LEU 20 -0.795 0.486 2.961 129 HD11 LEU 20 HD11 LEU 20 1.657 0.855 1.239 130 HD12 LEU 20 HD12 LEU 20 -0.004 1.183 0.750 131 HD13 LEU 20 HD13 LEU 20 0.499 -0.466 1.122 132 HD21 LEU 20 HD21 LEU 20 0.778 0.008 4.762 133 HD22 LEU 20 HD22 LEU 20 2.128 0.175 3.637 134 HD23 LEU 20 HD23 LEU 20 0.971 -1.139 3.435 135 H PHE 21 HN PHE 21 -2.351 2.245 1.043 136 HA PHE 21 HA PHE 21 -4.442 2.491 3.119 137 HB2 PHE 21 HB2 PHE 21 -4.758 2.648 0.109 138 HB3 PHE 21 HB1 PHE 21 -6.070 2.765 1.280 139 HD1 PHE 21 HD1 PHE 21 -6.025 4.696 2.939 140 HD2 PHE 21 HD2 PHE 21 -3.538 4.555 -0.524 141 HE1 PHE 21 HE1 PHE 21 -5.678 7.122 3.086 142 HE2 PHE 21 HE2 PHE 21 -3.198 6.983 -0.374 143 HZ PHE 21 HZ PHE 21 -4.267 8.268 1.430 144 H CYS 22 HN CYS 22 -2.839 0.194 2.961 145 HA CYS 22 HA CYS 22 -4.874 -1.778 2.230 146 HB2 CYS 22 HB2 CYS 22 -1.997 -1.778 1.336 147 HB3 CYS 22 HB1 CYS 22 -2.932 -3.269 1.432 148 H CYS 23 HN CYS 23 -4.605 -3.837 3.239 149 HA CYS 23 HA CYS 23 -3.580 -3.646 5.936 150 HB2 CYS 23 HB2 CYS 23 -4.707 -5.724 6.328 151 HB3 CYS 23 HB1 CYS 23 -5.775 -4.779 5.289 152 H ASP 24 HN ASP 24 -2.334 -5.707 6.713 153 HA ASP 24 HA ASP 24 0.189 -5.673 5.564 154 HB2 ASP 24 HB2 ASP 24 -0.238 -6.460 7.857 155 HB3 ASP 24 HB1 ASP 24 -1.032 -7.895 7.216 156 H THR 25 HN THR 25 -2.432 -8.006 5.068 157 HA THR 25 HA THR 25 -0.969 -9.859 3.562 158 HB THR 25 HB THR 25 -3.936 -9.333 3.434 159 HG1 THR 25 HG1 THR 25 -2.288 -10.483 5.384 160 HG21 THR 25 HG21 THR 25 -3.118 -10.851 1.693 161 HG22 THR 25 HG22 THR 25 -4.081 -11.722 2.886 162 HG23 THR 25 HG23 THR 25 -2.321 -11.836 2.919 163 H CYS 26 HN CYS 26 -3.167 -7.244 2.458 164 HA CYS 26 HA CYS 26 -2.659 -7.814 -0.296 165 HB2 CYS 26 HB2 CYS 26 -3.835 -5.314 0.927 166 HB3 CYS 26 HB1 CYS 26 -3.875 -5.734 -0.777 167 H SER 27 HN SER 27 -1.231 -5.641 2.072 168 HA SER 27 HA SER 27 0.199 -4.005 0.275 169 HB2 SER 27 HB2 SER 27 -0.102 -3.409 2.644 170 HB3 SER 27 HB1 SER 27 0.892 -4.781 3.123 171 HG SER 27 HG SER 27 2.485 -3.425 2.964 172 H ARG 28 HN ARG 28 0.805 -7.194 1.578 173 HA ARG 28 HA ARG 28 3.522 -7.346 0.753 174 HB2 ARG 28 HB2 ARG 28 1.479 -9.480 1.361 175 HB3 ARG 28 HB1 ARG 28 3.153 -9.828 0.975 176 HG2 ARG 28 HG2 ARG 28 3.865 -8.573 2.951 177 HG3 ARG 28 HG1 ARG 28 2.173 -8.255 3.347 178 HD2 ARG 28 HD2 ARG 28 1.803 -10.723 3.399 179 HD3 ARG 28 HD1 ARG 28 3.539 -10.935 3.196 180 HE ARG 28 HE ARG 28 2.329 -9.560 5.518 181 HH11 ARG 28 HH11 ARG 28 4.705 -11.748 4.123 182 HH12 ARG 28 HH12 ARG 28 5.418 -12.142 5.655 183 HH21 ARG 28 HH21 ARG 28 3.288 -10.058 7.510 184 HH22 ARG 28 HH22 ARG 28 4.619 -11.172 7.582 185 H VAL 29 HN VAL 29 0.469 -7.829 -0.842 186 HA VAL 29 HA VAL 29 1.715 -9.287 -3.032 187 HB VAL 29 HB VAL 29 -1.201 -8.593 -2.682 188 HG11 VAL 29 HG11 VAL 29 -1.581 -10.379 -4.308 189 HG12 VAL 29 HG12 VAL 29 0.160 -10.610 -4.462 190 HG13 VAL 29 HG13 VAL 29 -0.577 -9.097 -4.988 191 HG21 VAL 29 HG21 VAL 29 -0.511 -9.974 -0.832 192 HG22 VAL 29 HG22 VAL 29 0.298 -11.094 -1.927 193 HG23 VAL 29 HG23 VAL 29 -1.458 -10.945 -1.958 194 H PHE 30 HN PHE 30 -0.075 -6.257 -2.497 195 HA PHE 30 HA PHE 30 0.782 -5.396 -5.190 196 HB2 PHE 30 HB2 PHE 30 -1.787 -4.608 -3.790 197 HB3 PHE 30 HB1 PHE 30 -1.276 -4.096 -5.392 198 HD1 PHE 30 HD1 PHE 30 -0.865 -6.060 -7.108 199 HD2 PHE 30 HD2 PHE 30 -3.241 -6.355 -3.583 200 HE1 PHE 30 HE1 PHE 30 -2.066 -7.973 -8.078 201 HE2 PHE 30 HE2 PHE 30 -4.442 -8.268 -4.549 202 HZ PHE 30 HZ PHE 30 -3.854 -9.081 -6.801 203 H HIS 31 HN HIS 31 2.422 -4.941 -3.095 204 HA HIS 31 HA HIS 31 1.978 -2.881 -1.345 205 HB2 HIS 31 HB2 HIS 31 3.958 -4.418 -1.403 206 HB3 HIS 31 HB1 HIS 31 4.620 -3.427 -2.700 207 HD1 HIS 31 HD1 HIS 31 3.190 -2.587 0.758 208 HD2 HIS 31 HD2 HIS 31 6.468 -1.804 -1.679 209 HE1 HIS 31 HE1 HIS 31 4.686 -0.993 2.056 210 H GLU 32 HN GLU 32 3.286 -2.596 -4.625 211 HA GLU 32 HA GLU 32 3.895 0.172 -4.419 212 HB2 GLU 32 HB2 GLU 32 3.340 -1.373 -6.947 213 HB3 GLU 32 HB1 GLU 32 4.338 0.063 -6.769 214 HG2 GLU 32 HG2 GLU 32 6.063 -1.118 -5.745 215 HG3 GLU 32 HG1 GLU 32 5.019 -2.486 -5.356 216 H ASP 33 HN ASP 33 1.234 -1.668 -5.791 217 HA ASP 33 HA ASP 33 -0.202 0.512 -6.875 218 HB2 ASP 33 HB2 ASP 33 -1.163 -2.232 -6.026 219 HB3 ASP 33 HB1 ASP 33 -2.075 -1.109 -7.025 220 H CYS 34 HN CYS 34 0.044 -0.892 -3.736 221 HA CYS 34 HA CYS 34 -2.359 0.258 -2.680 222 HB2 CYS 34 HB2 CYS 34 -0.015 -1.215 -1.502 223 HB3 CYS 34 HB1 CYS 34 -1.206 -0.440 -0.460 224 H HIS 35 HN HIS 35 0.636 1.554 -3.453 225 HA HIS 35 HA HIS 35 0.337 3.721 -1.487 226 HB2 HIS 35 HB2 HIS 35 2.634 2.967 -3.295 227 HB3 HIS 35 HB1 HIS 35 2.575 4.483 -2.404 228 HD1 HIS 35 HD1 HIS 35 2.939 4.339 0.194 229 HD2 HIS 35 HD2 HIS 35 3.139 0.708 -1.812 230 HE1 HIS 35 HE1 HIS 35 4.043 2.705 1.782 231 H ILE 36 HN ILE 36 0.468 3.037 -4.944 232 HA ILE 36 HA ILE 36 -0.603 5.701 -5.464 233 HB ILE 36 HB ILE 36 0.919 5.745 -7.558 234 HG12 ILE 36 HG12 ILE 36 3.251 4.767 -6.822 235 HG13 ILE 36 HG11 ILE 36 2.268 3.671 -5.865 236 HG21 ILE 36 HG21 ILE 36 1.985 6.301 -4.797 237 HG22 ILE 36 HG22 ILE 36 1.060 7.396 -5.826 238 HG23 ILE 36 HG23 ILE 36 2.690 6.916 -6.292 239 HD11 ILE 36 HD11 ILE 36 2.167 4.008 -8.854 240 HD12 ILE 36 HD12 ILE 36 1.120 2.944 -7.913 241 HD13 ILE 36 HD13 ILE 36 2.860 2.651 -7.967 242 HA PRO 37 HA PRO 37 -1.420 6.858 -6.871 243 HB2 PRO 37 HB2 PRO 37 -4.221 6.943 -7.648 244 HB3 PRO 37 HB1 PRO 37 -2.840 7.731 -8.426 245 HG2 PRO 37 HG2 PRO 37 -4.241 5.682 -9.561 246 HG3 PRO 37 HG1 PRO 37 -2.530 6.006 -9.903 247 HD2 PRO 37 HD2 PRO 37 -3.748 3.957 -8.080 248 HD3 PRO 37 HD1 PRO 37 -2.355 3.807 -9.178 249 HA PRO 38 HA PRO 38 -3.360 6.227 -2.901 250 HB2 PRO 38 HB2 PRO 38 -3.170 8.772 -1.965 251 HB3 PRO 38 HB1 PRO 38 -1.799 7.657 -2.006 252 HG2 PRO 38 HG2 PRO 38 -2.510 9.866 -3.898 253 HG3 PRO 38 HG1 PRO 38 -0.917 9.399 -3.271 254 HD2 PRO 38 HD2 PRO 38 -1.791 8.704 -5.758 255 HD3 PRO 38 HD1 PRO 38 -0.669 7.698 -4.815 256 H VAL 39 HN VAL 39 -5.477 6.175 -2.408 257 HA VAL 39 HA VAL 39 -7.363 7.545 -4.035 258 HB VAL 39 HB VAL 39 -9.074 6.579 -2.471 259 HG11 VAL 39 HG11 VAL 39 -7.035 4.682 -3.624 260 HG12 VAL 39 HG12 VAL 39 -8.417 5.382 -4.468 261 HG13 VAL 39 HG13 VAL 39 -8.674 4.244 -3.145 262 HG21 VAL 39 HG21 VAL 39 -6.665 5.320 -1.168 263 HG22 VAL 39 HG22 VAL 39 -8.351 4.938 -0.819 264 HG23 VAL 39 HG23 VAL 39 -7.713 6.539 -0.445 265 H GLU 40 HN GLU 40 -8.194 9.499 -3.783 266 HA GLU 40 HA GLU 40 -7.328 11.075 -1.511 267 HB2 GLU 40 HB2 GLU 40 -8.881 11.883 -3.976 268 HB3 GLU 40 HB1 GLU 40 -8.210 12.983 -2.785 269 HG2 GLU 40 HG2 GLU 40 -5.976 12.381 -3.388 270 HG3 GLU 40 HG1 GLU 40 -6.561 11.094 -4.445 271 H ALA 41 HN ALA 41 -10.307 9.764 -2.800 272 HA ALA 41 HA ALA 41 -11.921 11.298 -0.938 273 HB1 ALA 41 HB1 ALA 41 -12.762 9.224 -2.959 274 HB2 ALA 41 HB2 ALA 41 -12.753 10.968 -3.211 275 HB3 ALA 41 HB3 ALA 41 -13.841 10.256 -2.021 276 H GLU 42 HN GLU 42 -10.976 7.958 -1.519 277 HA GLU 42 HA GLU 42 -12.352 7.142 0.936 278 HB2 GLU 42 HB2 GLU 42 -11.144 5.476 -1.280 279 HB3 GLU 42 HB1 GLU 42 -12.003 4.841 0.115 280 HG2 GLU 42 HG2 GLU 42 -14.041 5.943 -0.603 281 HG3 GLU 42 HG1 GLU 42 -13.188 6.663 -1.969 282 H ARG 43 HN ARG 43 -10.055 8.692 1.170 283 HA ARG 43 HA ARG 43 -7.770 7.050 1.659 284 HB2 ARG 43 HB2 ARG 43 -6.856 9.145 2.728 285 HB3 ARG 43 HB1 ARG 43 -7.314 9.282 1.038 286 HG2 ARG 43 HG2 ARG 43 -9.366 10.405 1.648 287 HG3 ARG 43 HG1 ARG 43 -8.993 10.204 3.362 288 HD2 ARG 43 HD2 ARG 43 -6.972 11.568 3.068 289 HD3 ARG 43 HD1 ARG 43 -7.365 11.768 1.362 290 HE ARG 43 HE ARG 43 -9.567 12.649 2.799 291 HH11 ARG 43 HH11 ARG 43 -6.199 13.530 2.409 292 HH12 ARG 43 HH12 ARG 43 -6.464 15.210 2.744 293 HH21 ARG 43 HH21 ARG 43 -9.920 14.872 3.250 294 HH22 ARG 43 HH22 ARG 43 -8.580 15.977 3.217 295 H THR 44 HN THR 44 -8.956 5.517 2.988 296 HA THR 44 HA THR 44 -9.105 6.381 5.795 297 HB THR 44 HB THR 44 -10.602 4.368 6.089 298 HG1 THR 44 HG1 THR 44 -9.909 3.411 4.018 299 HG21 THR 44 HG21 THR 44 -11.524 6.622 5.949 300 HG22 THR 44 HG22 THR 44 -12.578 5.482 5.114 301 HG23 THR 44 HG23 THR 44 -11.511 6.536 4.188 302 HA PRO 45 HA PRO 45 -5.411 3.747 5.778 303 HB2 PRO 45 HB2 PRO 45 -5.162 4.725 8.547 304 HB3 PRO 45 HB1 PRO 45 -4.018 4.842 7.205 305 HG2 PRO 45 HG2 PRO 45 -5.350 6.993 8.092 306 HG3 PRO 45 HG1 PRO 45 -4.986 6.767 6.371 307 HD2 PRO 45 HD2 PRO 45 -7.560 6.295 7.839 308 HD3 PRO 45 HD1 PRO 45 -7.292 7.043 6.245 309 H TRP 46 HN TRP 46 -8.048 3.770 8.068 310 HA TRP 46 HA TRP 46 -7.162 1.295 9.312 311 HB2 TRP 46 HB2 TRP 46 -9.129 1.536 10.762 312 HB3 TRP 46 HB1 TRP 46 -8.188 3.022 10.733 313 HD1 TRP 46 HD1 TRP 46 -11.565 1.586 9.685 314 HE1 TRP 46 HE1 TRP 46 -13.144 3.519 9.072 315 HE3 TRP 46 HE3 TRP 46 -8.217 5.451 9.822 316 HZ2 TRP 46 HZ2 TRP 46 -13.000 6.303 8.701 317 HZ3 TRP 46 HZ3 TRP 46 -9.028 7.723 9.321 318 HH2 TRP 46 HH2 TRP 46 -11.363 8.137 8.771 319 H ASN 47 HN ASN 47 -8.402 1.853 6.445 320 HA ASN 47 HA ASN 47 -10.002 -0.612 6.455 321 HB2 ASN 47 HB2 ASN 47 -11.544 1.320 6.288 322 HB3 ASN 47 HB1 ASN 47 -10.654 1.904 4.889 323 HD21 ASN 47 HD21 ASN 47 -12.893 -0.493 6.063 324 HD22 ASN 47 HD22 ASN 47 -13.366 -1.094 4.508 325 H CYS 48 HN CYS 48 -9.520 -2.004 4.788 326 HA CYS 48 HA CYS 48 -7.288 -1.188 3.084 327 HB2 CYS 48 HB2 CYS 48 -7.117 -3.296 4.397 328 HB3 CYS 48 HB1 CYS 48 -8.500 -3.935 3.518 329 H ILE 49 HN ILE 49 -7.645 -0.601 1.032 330 HA ILE 49 HA ILE 49 -10.319 -0.755 -0.010 331 HB ILE 49 HB ILE 49 -9.372 0.412 -2.020 332 HG12 ILE 49 HG12 ILE 49 -6.873 0.650 -0.343 333 HG13 ILE 49 HG11 ILE 49 -7.029 -0.448 -1.711 334 HG21 ILE 49 HG21 ILE 49 -8.919 1.677 0.681 335 HG22 ILE 49 HG22 ILE 49 -10.426 1.658 -0.234 336 HG23 ILE 49 HG23 ILE 49 -9.034 2.554 -0.843 337 HD11 ILE 49 HD11 ILE 49 -7.264 2.552 -1.827 338 HD12 ILE 49 HD12 ILE 49 -7.376 1.447 -3.197 339 HD13 ILE 49 HD13 ILE 49 -5.858 1.606 -2.314 340 H PHE 50 HN PHE 50 -7.427 -2.586 -0.388 341 HA PHE 50 HA PHE 50 -8.242 -3.735 -2.907 342 HB2 PHE 50 HB2 PHE 50 -5.859 -4.061 -1.157 343 HB3 PHE 50 HB1 PHE 50 -6.289 -5.408 -2.215 344 HD1 PHE 50 HD2 PHE 50 -5.454 -1.807 -2.165 345 HD2 PHE 50 HD1 PHE 50 -5.861 -5.316 -4.534 346 HE1 PHE 50 HE2 PHE 50 -4.363 -0.660 -4.047 347 HE2 PHE 50 HE1 PHE 50 -4.767 -4.178 -6.418 348 HZ PHE 50 HZ PHE 50 -4.100 -1.841 -6.221 349 H CYS 51 HN CYS 51 -8.545 -4.491 0.475 350 HA CYS 51 HA CYS 51 -9.273 -7.203 0.231 351 HB2 CYS 51 HB2 CYS 51 -9.557 -5.105 2.303 352 HB3 CYS 51 HB1 CYS 51 -10.658 -6.469 2.420 353 H ARG 52 HN ARG 52 -11.066 -4.252 -0.316 354 HA ARG 52 HA ARG 52 -13.515 -5.814 -0.661 355 HB2 ARG 52 HB2 ARG 52 -14.724 -3.729 -0.734 356 HB3 ARG 52 HB1 ARG 52 -13.667 -3.724 0.667 357 HG2 ARG 52 HG2 ARG 52 -12.145 -2.227 -0.384 358 HG3 ARG 52 HG1 ARG 52 -12.968 -2.390 -1.936 359 HD2 ARG 52 HD2 ARG 52 -14.136 -1.179 0.568 360 HD3 ARG 52 HD1 ARG 52 -13.548 -0.286 -0.833 361 HE ARG 52 HE ARG 52 -15.498 -2.142 -1.661 362 HH11 ARG 52 HH11 ARG 52 -15.188 0.864 0.094 363 HH12 ARG 52 HH12 ARG 52 -16.800 1.393 -0.271 364 HH21 ARG 52 HH21 ARG 52 -17.613 -1.455 -2.158 365 HH22 ARG 52 HH22 ARG 52 -18.183 0.069 -1.555 366 H MET 53 HN MET 53 -10.935 -5.148 -2.412 367 HA MET 53 HA MET 53 -12.288 -4.436 -4.893 368 HB2 MET 53 HB2 MET 53 -10.197 -3.300 -4.471 369 HB3 MET 53 HB1 MET 53 -9.372 -4.829 -4.211 370 HG2 MET 53 HG2 MET 53 -8.872 -3.801 -6.391 371 HG3 MET 53 HG1 MET 53 -9.582 -5.408 -6.524 372 HE1 MET 53 HE1 MET 53 -11.682 -2.259 -5.559 373 HE2 MET 53 HE2 MET 53 -12.118 -1.600 -7.135 374 HE3 MET 53 HE3 MET 53 -10.441 -1.544 -6.590 375 H LYS 54 HN LYS 54 -10.481 -7.094 -3.446 376 HA LYS 54 HA LYS 54 -10.174 -9.258 -4.014 377 HB2 LYS 54 HB2 LYS 54 -12.623 -9.327 -3.821 378 HB3 LYS 54 HB1 LYS 54 -12.771 -8.861 -5.507 379 HG2 LYS 54 HG2 LYS 54 -11.695 -10.933 -6.193 380 HG3 LYS 54 HG1 LYS 54 -11.517 -11.410 -4.502 381 HD2 LYS 54 HD2 LYS 54 -13.938 -11.418 -4.240 382 HD3 LYS 54 HD1 LYS 54 -14.132 -10.896 -5.914 383 HE2 LYS 54 HE2 LYS 54 -12.866 -13.475 -5.000 384 HE3 LYS 54 HE1 LYS 54 -14.485 -13.303 -5.676 385 HZ1 LYS 54 HZ1 LYS 54 -12.873 -14.042 -7.330 386 HZ2 LYS 54 HZ2 LYS 54 -11.964 -12.639 -7.097 387 HZ3 LYS 54 HZ3 LYS 54 -13.522 -12.538 -7.741 388 H GLU 55 HN GLU 55 -8.313 -8.974 -5.198 389 HA GLU 55 HA GLU 55 -8.639 -9.259 -8.089 390 HB2 GLU 55 HB2 GLU 55 -8.199 -6.874 -7.649 391 HB3 GLU 55 HB1 GLU 55 -6.729 -7.310 -6.790 392 HG2 GLU 55 HG2 GLU 55 -6.261 -6.522 -9.045 393 HG3 GLU 55 HG1 GLU 55 -5.773 -8.204 -8.832 394 H SER 56 HN SER 56 -7.660 -11.055 -8.646 395 HA SER 56 HA SER 56 -4.974 -11.620 -7.753 396 HB2 SER 56 HB2 SER 56 -6.436 -12.679 -6.021 397 HB3 SER 56 HB1 SER 56 -7.181 -13.646 -7.290 398 HG SER 56 HG SER 56 -5.599 -14.980 -7.022 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 4.531 -13.174 12.393 2 H2 GLY 1 HT2 GLY 1 3.821 -12.519 13.777 3 H3 GLY 1 HT3 GLY 1 4.806 -11.557 12.794 4 HA2 GLY 1 HA1 GLY 1 2.194 -12.722 12.018 5 HA3 GLY 1 HA2 GLY 1 2.476 -11.040 12.439 6 H ALA 2 HN ALA 2 2.894 -9.681 10.824 7 HA ALA 2 HA ALA 2 4.052 -10.751 8.347 8 HB1 ALA 2 HB1 ALA 2 1.581 -9.022 8.493 9 HB2 ALA 2 HB2 ALA 2 1.645 -10.717 8.006 10 HB3 ALA 2 HB3 ALA 2 2.421 -9.484 7.017 11 H MET 3 HN MET 3 4.864 -8.973 10.687 12 HA MET 3 HA MET 3 5.307 -6.423 9.320 13 HB2 MET 3 HB2 MET 3 4.436 -6.493 11.678 14 HB3 MET 3 HB1 MET 3 5.977 -7.176 12.173 15 HG2 MET 3 HG2 MET 3 6.032 -4.859 12.671 16 HG3 MET 3 HG1 MET 3 7.083 -5.119 11.280 17 HE1 MET 3 HE1 MET 3 7.087 -2.532 10.728 18 HE2 MET 3 HE2 MET 3 6.063 -2.238 12.133 19 HE3 MET 3 HE3 MET 3 5.621 -1.563 10.565 20 H GLY 4 HN GLY 4 6.832 -9.344 9.654 21 HA2 GLY 4 HA2 GLY 4 9.514 -8.408 10.150 22 HA3 GLY 4 HA1 GLY 4 9.044 -10.046 9.724 23 H MET 5 HN MET 5 7.935 -9.915 7.332 24 HA MET 5 HA MET 5 10.138 -8.920 5.680 25 HB2 MET 5 HB2 MET 5 9.673 -11.309 5.475 26 HB3 MET 5 HB1 MET 5 8.001 -10.966 5.052 27 HG2 MET 5 HG2 MET 5 9.382 -11.544 3.104 28 HG3 MET 5 HG1 MET 5 8.677 -9.934 2.988 29 HE1 MET 5 HE1 MET 5 11.813 -11.090 5.116 30 HE2 MET 5 HE2 MET 5 13.110 -10.774 3.965 31 HE3 MET 5 HE3 MET 5 11.916 -12.024 3.626 32 H ARG 6 HN ARG 6 9.415 -6.772 5.717 33 HA ARG 6 HA ARG 6 7.107 -6.254 3.966 34 HB2 ARG 6 HB2 ARG 6 8.404 -4.486 6.052 35 HB3 ARG 6 HB1 ARG 6 7.152 -3.947 4.942 36 HG2 ARG 6 HG2 ARG 6 5.565 -5.470 5.900 37 HG3 ARG 6 HG1 ARG 6 6.814 -6.198 6.912 38 HD2 ARG 6 HD2 ARG 6 5.390 -4.623 8.158 39 HD3 ARG 6 HD1 ARG 6 7.079 -4.128 8.134 40 HE ARG 6 HE ARG 6 6.467 -2.487 6.434 41 HH11 ARG 6 HH11 ARG 6 3.855 -3.898 8.299 42 HH12 ARG 6 HH12 ARG 6 2.816 -2.520 8.111 43 HH21 ARG 6 HH21 ARG 6 5.097 -0.675 6.195 44 HH22 ARG 6 HH22 ARG 6 3.518 -0.698 6.916 45 H ASN 7 HN ASN 7 8.376 -6.639 2.110 46 HA ASN 7 HA ASN 7 10.827 -5.291 1.621 47 HB2 ASN 7 HB2 ASN 7 10.109 -7.426 0.503 48 HB3 ASN 7 HB1 ASN 7 8.962 -6.479 -0.441 49 HD21 ASN 7 HD21 ASN 7 9.730 -5.135 -2.088 50 HD22 ASN 7 HD22 ASN 7 11.364 -5.220 -2.658 51 H LEU 8 HN LEU 8 10.674 -3.138 1.837 52 HA LEU 8 HA LEU 8 8.931 -1.724 -0.058 53 HB2 LEU 8 HB2 LEU 8 8.890 0.121 1.720 54 HB3 LEU 8 HB1 LEU 8 7.906 -1.299 2.001 55 HG LEU 8 HG LEU 8 9.889 -2.141 3.423 56 HD11 LEU 8 HD11 LEU 8 10.511 0.806 3.371 57 HD12 LEU 8 HD12 LEU 8 11.520 -0.482 2.711 58 HD13 LEU 8 HD13 LEU 8 11.234 -0.387 4.449 59 HD21 LEU 8 HD21 LEU 8 9.031 -0.963 5.384 60 HD22 LEU 8 HD22 LEU 8 7.725 -1.502 4.330 61 HD23 LEU 8 HD23 LEU 8 8.211 0.192 4.332 62 H ASP 9 HN ASP 9 11.724 -2.622 -0.144 63 HA ASP 9 HA ASP 9 13.400 -0.333 0.254 64 HB2 ASP 9 HB2 ASP 9 14.258 -2.598 0.589 65 HB3 ASP 9 HB1 ASP 9 13.966 -2.973 -1.104 66 H GLU 10 HN GLU 10 11.930 -1.931 -2.516 67 HA GLU 10 HA GLU 10 13.089 -0.004 -4.363 68 HB2 GLU 10 HB2 GLU 10 11.255 -2.364 -4.770 69 HB3 GLU 10 HB1 GLU 10 11.734 -1.285 -6.069 70 HG2 GLU 10 HG2 GLU 10 13.738 -2.720 -4.370 71 HG3 GLU 10 HG1 GLU 10 13.034 -3.443 -5.816 72 H CYS 11 HN CYS 11 10.910 0.419 -2.213 73 HA CYS 11 HA CYS 11 8.826 1.594 -3.907 74 HB2 CYS 11 HB2 CYS 11 8.090 -0.013 -2.210 75 HB3 CYS 11 HB1 CYS 11 8.853 0.949 -0.958 76 H GLU 12 HN GLU 12 9.726 3.513 -4.479 77 HA GLU 12 HA GLU 12 11.315 5.144 -2.859 78 HB2 GLU 12 HB2 GLU 12 9.585 5.935 -5.202 79 HB3 GLU 12 HB1 GLU 12 10.905 6.886 -4.535 80 HG2 GLU 12 HG2 GLU 12 11.220 4.144 -5.731 81 HG3 GLU 12 HG1 GLU 12 11.494 5.652 -6.600 82 H VAL 13 HN VAL 13 7.848 4.955 -3.277 83 HA VAL 13 HA VAL 13 7.281 7.432 -2.050 84 HB VAL 13 HB VAL 13 5.641 6.488 -3.506 85 HG11 VAL 13 HG11 VAL 13 5.394 4.207 -1.568 86 HG12 VAL 13 HG12 VAL 13 6.121 4.130 -3.174 87 HG13 VAL 13 HG13 VAL 13 4.400 4.466 -2.998 88 HG21 VAL 13 HG21 VAL 13 3.649 6.712 -2.184 89 HG22 VAL 13 HG22 VAL 13 4.856 7.863 -1.605 90 HG23 VAL 13 HG23 VAL 13 4.552 6.373 -0.710 91 H CYS 14 HN CYS 14 7.747 4.182 -0.764 92 HA CYS 14 HA CYS 14 6.868 4.730 1.870 93 HB2 CYS 14 HB2 CYS 14 8.500 2.656 0.576 94 HB3 CYS 14 HB1 CYS 14 8.912 2.958 2.258 95 H ARG 15 HN ARG 15 9.821 5.315 0.155 96 HA ARG 15 HA ARG 15 11.374 6.111 2.412 97 HB2 ARG 15 HB2 ARG 15 11.771 6.801 -0.501 98 HB3 ARG 15 HB1 ARG 15 12.983 6.907 0.769 99 HG2 ARG 15 HG2 ARG 15 12.994 4.519 1.035 100 HG3 ARG 15 HG1 ARG 15 11.655 4.352 -0.100 101 HD2 ARG 15 HD2 ARG 15 13.714 3.808 -1.220 102 HD3 ARG 15 HD1 ARG 15 13.087 5.325 -1.864 103 HE ARG 15 HE ARG 15 14.958 5.715 0.264 104 HH11 ARG 15 HH11 ARG 15 14.609 5.190 -3.183 105 HH12 ARG 15 HH12 ARG 15 16.182 5.831 -3.559 106 HH21 ARG 15 HH21 ARG 15 17.017 6.563 -0.232 107 HH22 ARG 15 HH22 ARG 15 17.553 6.600 -1.882 108 H ASP 16 HN ASP 16 9.392 7.765 0.034 109 HA ASP 16 HA ASP 16 9.903 10.390 1.040 110 HB2 ASP 16 HB2 ASP 16 7.817 9.262 -0.813 111 HB3 ASP 16 HB1 ASP 16 7.778 10.945 -0.302 112 H GLY 17 HN GLY 17 8.444 7.934 2.553 113 HA2 GLY 17 HA2 GLY 17 7.348 7.991 4.597 114 HA3 GLY 17 HA1 GLY 17 7.159 9.728 4.411 115 H GLY 18 HN GLY 18 6.130 7.671 1.836 116 HA2 GLY 18 HA2 GLY 18 3.452 8.594 1.963 117 HA3 GLY 18 HA1 GLY 18 4.052 7.304 0.938 118 H GLU 19 HN GLU 19 1.547 7.370 2.259 119 HA GLU 19 HA GLU 19 1.868 5.465 4.465 120 HB2 GLU 19 HB2 GLU 19 -0.473 7.173 3.620 121 HB3 GLU 19 HB1 GLU 19 -0.537 6.008 4.938 122 HG2 GLU 19 HG2 GLU 19 1.331 7.273 6.028 123 HG3 GLU 19 HG1 GLU 19 1.164 8.488 4.764 124 H LEU 20 HN LEU 20 0.508 3.631 4.607 125 HA LEU 20 HA LEU 20 -0.021 2.423 2.004 126 HB2 LEU 20 HB2 LEU 20 0.393 1.363 4.769 127 HB3 LEU 20 HB1 LEU 20 -0.458 0.384 3.591 128 HG LEU 20 HG LEU 20 2.311 1.483 3.105 129 HD11 LEU 20 HD11 LEU 20 3.131 -0.745 3.705 130 HD12 LEU 20 HD12 LEU 20 1.502 -1.216 4.190 131 HD13 LEU 20 HD13 LEU 20 2.358 0.045 5.078 132 HD21 LEU 20 HD21 LEU 20 2.381 -0.301 1.421 133 HD22 LEU 20 HD22 LEU 20 1.066 0.829 1.105 134 HD23 LEU 20 HD23 LEU 20 0.724 -0.746 1.821 135 H PHE 21 HN PHE 21 -2.022 1.911 1.293 136 HA PHE 21 HA PHE 21 -4.269 2.400 3.138 137 HB2 PHE 21 HB2 PHE 21 -4.156 2.684 0.115 138 HB3 PHE 21 HB1 PHE 21 -5.615 2.877 1.087 139 HD1 PHE 21 HD2 PHE 21 -2.357 4.326 0.241 140 HD2 PHE 21 HD1 PHE 21 -5.979 4.854 2.415 141 HE1 PHE 21 HE2 PHE 21 -1.823 6.702 0.558 142 HE2 PHE 21 HE1 PHE 21 -5.453 7.229 2.723 143 HZ PHE 21 HZ PHE 21 -3.333 8.128 1.929 144 H CYS 22 HN CYS 22 -2.797 -0.005 2.975 145 HA CYS 22 HA CYS 22 -4.914 -1.830 2.099 146 HB2 CYS 22 HB2 CYS 22 -2.017 -1.899 1.367 147 HB3 CYS 22 HB1 CYS 22 -2.880 -3.420 1.576 148 H CYS 23 HN CYS 23 -4.931 -3.846 3.172 149 HA CYS 23 HA CYS 23 -3.970 -3.744 5.895 150 HB2 CYS 23 HB2 CYS 23 -5.328 -5.680 6.259 151 HB3 CYS 23 HB1 CYS 23 -6.251 -4.641 5.176 152 H ASP 24 HN ASP 24 -2.885 -5.875 6.714 153 HA ASP 24 HA ASP 24 -0.323 -5.931 5.681 154 HB2 ASP 24 HB2 ASP 24 -1.799 -7.933 7.376 155 HB3 ASP 24 HB1 ASP 24 -0.119 -8.177 6.913 156 H THR 25 HN THR 25 -2.920 -8.270 5.078 157 HA THR 25 HA THR 25 -1.409 -10.088 3.588 158 HB THR 25 HB THR 25 -4.366 -9.548 3.325 159 HG1 THR 25 HG1 THR 25 -4.459 -10.245 5.313 160 HG21 THR 25 HG21 THR 25 -4.491 -11.922 2.716 161 HG22 THR 25 HG22 THR 25 -2.735 -12.042 2.822 162 HG23 THR 25 HG23 THR 25 -3.476 -11.022 1.590 163 H CYS 26 HN CYS 26 -3.418 -7.356 2.458 164 HA CYS 26 HA CYS 26 -2.856 -7.908 -0.292 165 HB2 CYS 26 HB2 CYS 26 -3.962 -5.394 0.966 166 HB3 CYS 26 HB1 CYS 26 -3.953 -5.750 -0.753 167 H SER 27 HN SER 27 -1.442 -5.784 2.137 168 HA SER 27 HA SER 27 -0.038 -4.083 0.388 169 HB2 SER 27 HB2 SER 27 -0.425 -3.491 2.720 170 HB3 SER 27 HB1 SER 27 0.553 -4.855 3.255 171 HG SER 27 HG SER 27 2.138 -3.492 3.187 172 H ARG 28 HN ARG 28 0.735 -7.225 1.740 173 HA ARG 28 HA ARG 28 3.491 -7.149 1.024 174 HB2 ARG 28 HB2 ARG 28 1.658 -9.428 1.769 175 HB3 ARG 28 HB1 ARG 28 3.385 -9.622 1.489 176 HG2 ARG 28 HG2 ARG 28 3.913 -8.210 3.345 177 HG3 ARG 28 HG1 ARG 28 2.219 -7.770 3.556 178 HD2 ARG 28 HD2 ARG 28 2.791 -9.390 5.216 179 HD3 ARG 28 HD1 ARG 28 1.721 -10.158 4.048 180 HE ARG 28 HE ARG 28 4.441 -10.595 3.367 181 HH11 ARG 28 HH11 ARG 28 1.936 -11.629 5.583 182 HH12 ARG 28 HH12 ARG 28 2.662 -13.176 5.882 183 HH21 ARG 28 HH21 ARG 28 5.394 -12.633 3.753 184 HH22 ARG 28 HH22 ARG 28 4.623 -13.753 4.835 185 H VAL 29 HN VAL 29 0.625 -7.747 -0.733 186 HA VAL 29 HA VAL 29 2.076 -9.236 -2.800 187 HB VAL 29 HB VAL 29 -0.901 -8.810 -2.528 188 HG11 VAL 29 HG11 VAL 29 -1.091 -10.566 -4.221 189 HG12 VAL 29 HG12 VAL 29 0.666 -10.631 -4.353 190 HG13 VAL 29 HG13 VAL 29 -0.200 -9.175 -4.843 191 HG21 VAL 29 HG21 VAL 29 -0.948 -11.188 -1.872 192 HG22 VAL 29 HG22 VAL 29 -0.076 -10.180 -0.718 193 HG23 VAL 29 HG23 VAL 29 0.815 -11.195 -1.853 194 H PHE 30 HN PHE 30 0.110 -6.320 -2.333 195 HA PHE 30 HA PHE 30 0.919 -5.452 -5.038 196 HB2 PHE 30 HB2 PHE 30 -1.632 -4.678 -3.596 197 HB3 PHE 30 HB1 PHE 30 -1.170 -4.210 -5.228 198 HD1 PHE 30 HD1 PHE 30 -0.815 -6.159 -6.907 199 HD2 PHE 30 HD2 PHE 30 -3.011 -6.522 -3.275 200 HE1 PHE 30 HE1 PHE 30 -1.978 -8.124 -7.812 201 HE2 PHE 30 HE2 PHE 30 -4.173 -8.490 -4.176 202 HZ PHE 30 HZ PHE 30 -3.717 -9.279 -6.405 203 H HIS 31 HN HIS 31 2.566 -4.958 -2.924 204 HA HIS 31 HA HIS 31 2.106 -2.855 -1.227 205 HB2 HIS 31 HB2 HIS 31 4.074 -4.356 -1.177 206 HB3 HIS 31 HB1 HIS 31 4.736 -3.501 -2.564 207 HD1 HIS 31 HD1 HIS 31 3.589 -2.586 0.975 208 HD2 HIS 31 HD2 HIS 31 6.470 -1.594 -1.852 209 HE1 HIS 31 HE1 HIS 31 5.138 -0.912 2.087 210 H GLU 32 HN GLU 32 3.440 -2.636 -4.514 211 HA GLU 32 HA GLU 32 4.012 0.133 -4.398 212 HB2 GLU 32 HB2 GLU 32 3.610 -1.759 -6.705 213 HB3 GLU 32 HB1 GLU 32 4.024 -0.066 -6.931 214 HG2 GLU 32 HG2 GLU 32 5.665 -2.057 -5.388 215 HG3 GLU 32 HG1 GLU 32 5.979 -1.546 -7.045 216 H ASP 33 HN ASP 33 1.211 -1.687 -5.451 217 HA ASP 33 HA ASP 33 -0.163 0.607 -6.505 218 HB2 ASP 33 HB2 ASP 33 -1.049 -2.225 -5.935 219 HB3 ASP 33 HB1 ASP 33 -2.114 -1.003 -6.620 220 H CYS 34 HN CYS 34 0.146 -0.965 -3.470 221 HA CYS 34 HA CYS 34 -2.299 0.027 -2.343 222 HB2 CYS 34 HB2 CYS 34 0.094 -1.435 -1.262 223 HB3 CYS 34 HB1 CYS 34 -1.137 -0.788 -0.176 224 H HIS 35 HN HIS 35 0.462 1.580 -3.157 225 HA HIS 35 HA HIS 35 0.202 3.559 -1.002 226 HB2 HIS 35 HB2 HIS 35 2.309 3.114 -3.110 227 HB3 HIS 35 HB1 HIS 35 2.244 4.583 -2.137 228 HD1 HIS 35 HD1 HIS 35 2.868 4.341 0.403 229 HD2 HIS 35 HD2 HIS 35 3.133 0.830 -1.798 230 HE1 HIS 35 HE1 HIS 35 4.140 2.696 1.841 231 H ILE 36 HN ILE 36 -1.302 2.909 -3.751 232 HA ILE 36 HA ILE 36 -1.591 5.729 -4.533 233 HB ILE 36 HB ILE 36 -1.576 3.351 -6.399 234 HG12 ILE 36 HG12 ILE 36 0.449 5.583 -6.111 235 HG13 ILE 36 HG11 ILE 36 0.664 3.944 -5.508 236 HG21 ILE 36 HG21 ILE 36 -1.821 6.300 -6.984 237 HG22 ILE 36 HG22 ILE 36 -3.090 5.089 -7.160 238 HG23 ILE 36 HG23 ILE 36 -1.663 5.028 -8.194 239 HD11 ILE 36 HD11 ILE 36 0.328 4.721 -8.395 240 HD12 ILE 36 HD12 ILE 36 0.577 3.087 -7.781 241 HD13 ILE 36 HD13 ILE 36 1.847 4.296 -7.603 242 HA PRO 37 HA PRO 37 -2.770 7.064 -5.158 243 HB2 PRO 37 HB2 PRO 37 -4.813 8.707 -4.664 244 HB3 PRO 37 HB1 PRO 37 -4.763 7.742 -6.153 245 HG2 PRO 37 HG2 PRO 37 -6.333 7.288 -3.646 246 HG3 PRO 37 HG1 PRO 37 -6.821 7.046 -5.335 247 HD2 PRO 37 HD2 PRO 37 -5.935 5.042 -3.606 248 HD3 PRO 37 HD1 PRO 37 -5.981 4.926 -5.378 249 HA PRO 38 HA PRO 38 -1.755 8.013 -0.914 250 HB2 PRO 38 HB2 PRO 38 -0.605 10.445 -1.300 251 HB3 PRO 38 HB1 PRO 38 0.209 8.925 -1.688 252 HG2 PRO 38 HG2 PRO 38 -1.225 10.830 -3.501 253 HG3 PRO 38 HG1 PRO 38 0.301 9.965 -3.769 254 HD2 PRO 38 HD2 PRO 38 -2.059 9.142 -4.842 255 HD3 PRO 38 HD1 PRO 38 -0.770 8.006 -4.381 256 H VAL 39 HN VAL 39 -2.442 9.405 0.779 257 HA VAL 39 HA VAL 39 -5.013 10.528 0.351 258 HB VAL 39 HB VAL 39 -4.624 9.501 2.469 259 HG11 VAL 39 HG11 VAL 39 -2.251 9.809 2.735 260 HG12 VAL 39 HG12 VAL 39 -3.088 10.457 4.144 261 HG13 VAL 39 HG13 VAL 39 -2.466 11.550 2.909 262 HG21 VAL 39 HG21 VAL 39 -5.417 11.223 3.975 263 HG22 VAL 39 HG22 VAL 39 -6.178 11.395 2.392 264 HG23 VAL 39 HG23 VAL 39 -4.867 12.476 2.862 265 H GLU 40 HN GLU 40 -5.268 12.298 -0.724 266 HA GLU 40 HA GLU 40 -3.853 14.711 0.119 267 HB2 GLU 40 HB2 GLU 40 -4.199 13.848 -2.767 268 HB3 GLU 40 HB1 GLU 40 -3.615 15.424 -2.253 269 HG2 GLU 40 HG2 GLU 40 -1.664 14.402 -1.241 270 HG3 GLU 40 HG1 GLU 40 -2.262 12.799 -1.664 271 H ALA 41 HN ALA 41 -6.415 13.413 -1.986 272 HA ALA 41 HA ALA 41 -8.062 15.752 -1.423 273 HB1 ALA 41 HB1 ALA 41 -7.965 14.946 -3.735 274 HB2 ALA 41 HB2 ALA 41 -9.601 14.839 -3.084 275 HB3 ALA 41 HB3 ALA 41 -8.609 13.388 -3.218 276 H GLU 42 HN GLU 42 -7.887 12.313 -0.820 277 HA GLU 42 HA GLU 42 -9.492 12.465 1.509 278 HB2 GLU 42 HB2 GLU 42 -11.353 11.046 0.748 279 HB3 GLU 42 HB1 GLU 42 -11.309 12.574 -0.117 280 HG2 GLU 42 HG2 GLU 42 -10.335 11.513 -2.042 281 HG3 GLU 42 HG1 GLU 42 -10.224 9.979 -1.177 282 H ARG 43 HN ARG 43 -10.371 9.685 1.281 283 HA ARG 43 HA ARG 43 -9.687 7.545 1.449 284 HB2 ARG 43 HB2 ARG 43 -7.275 8.658 0.104 285 HB3 ARG 43 HB1 ARG 43 -7.178 7.065 0.845 286 HG2 ARG 43 HG2 ARG 43 -9.250 7.853 -1.192 287 HG3 ARG 43 HG1 ARG 43 -7.728 7.052 -1.583 288 HD2 ARG 43 HD2 ARG 43 -9.420 5.364 -1.452 289 HD3 ARG 43 HD1 ARG 43 -8.397 5.202 -0.027 290 HE ARG 43 HE ARG 43 -10.810 6.791 0.302 291 HH11 ARG 43 HH11 ARG 43 -9.293 3.650 0.671 292 HH12 ARG 43 HH12 ARG 43 -10.460 3.087 1.829 293 HH21 ARG 43 HH21 ARG 43 -12.321 6.056 1.834 294 HH22 ARG 43 HH22 ARG 43 -12.169 4.460 2.501 295 H THR 44 HN THR 44 -9.234 6.454 3.173 296 HA THR 44 HA THR 44 -7.703 7.782 5.287 297 HB THR 44 HB THR 44 -9.057 6.334 6.824 298 HG1 THR 44 HG1 THR 44 -11.038 5.495 5.682 299 HG21 THR 44 HG21 THR 44 -11.178 7.581 6.514 300 HG22 THR 44 HG22 THR 44 -10.597 8.135 4.945 301 HG23 THR 44 HG23 THR 44 -9.762 8.628 6.418 302 HA PRO 45 HA PRO 45 -4.675 4.591 4.627 303 HB2 PRO 45 HB2 PRO 45 -3.709 5.276 7.330 304 HB3 PRO 45 HB1 PRO 45 -2.866 5.349 5.778 305 HG2 PRO 45 HG2 PRO 45 -3.654 7.575 7.049 306 HG3 PRO 45 HG1 PRO 45 -3.679 7.453 5.280 307 HD2 PRO 45 HD2 PRO 45 -5.946 7.245 7.230 308 HD3 PRO 45 HD1 PRO 45 -5.891 8.033 5.636 309 H TRP 46 HN TRP 46 -6.865 4.611 7.316 310 HA TRP 46 HA TRP 46 -5.966 1.966 8.177 311 HB2 TRP 46 HB2 TRP 46 -7.605 2.237 10.034 312 HB3 TRP 46 HB1 TRP 46 -6.385 3.502 9.989 313 HD1 TRP 46 HD1 TRP 46 -10.131 2.936 9.644 314 HE1 TRP 46 HE1 TRP 46 -11.324 5.213 9.627 315 HE3 TRP 46 HE3 TRP 46 -6.047 5.993 9.278 316 HZ2 TRP 46 HZ2 TRP 46 -10.628 7.938 9.480 317 HZ3 TRP 46 HZ3 TRP 46 -6.402 8.426 9.200 318 HH2 TRP 46 HH2 TRP 46 -8.639 9.374 9.296 319 H ASN 47 HN ASN 47 -7.316 2.488 5.618 320 HA ASN 47 HA ASN 47 -9.385 0.427 5.894 321 HB2 ASN 47 HB2 ASN 47 -10.590 2.543 5.674 322 HB3 ASN 47 HB1 ASN 47 -9.618 2.981 4.276 323 HD21 ASN 47 HD21 ASN 47 -11.082 -0.172 4.983 324 HD22 ASN 47 HD22 ASN 47 -12.123 -0.177 3.601 325 H CYS 48 HN CYS 48 -9.153 -1.186 4.376 326 HA CYS 48 HA CYS 48 -6.848 -0.928 2.629 327 HB2 CYS 48 HB2 CYS 48 -7.232 -2.992 4.028 328 HB3 CYS 48 HB1 CYS 48 -8.643 -3.341 3.035 329 H ILE 49 HN ILE 49 -7.026 -0.306 0.581 330 HA ILE 49 HA ILE 49 -9.634 -0.018 -0.600 331 HB ILE 49 HB ILE 49 -8.362 0.844 -2.606 332 HG12 ILE 49 HG12 ILE 49 -6.009 0.772 -0.717 333 HG13 ILE 49 HG11 ILE 49 -6.220 -0.332 -2.072 334 HG21 ILE 49 HG21 ILE 49 -9.351 2.361 -1.037 335 HG22 ILE 49 HG22 ILE 49 -7.757 2.971 -1.481 336 HG23 ILE 49 HG23 ILE 49 -7.994 2.170 0.071 337 HD11 ILE 49 HD11 ILE 49 -5.950 2.663 -2.258 338 HD12 ILE 49 HD12 ILE 49 -6.140 1.554 -3.616 339 HD13 ILE 49 HD13 ILE 49 -4.689 1.482 -2.615 340 H PHE 50 HN PHE 50 -7.046 -2.314 -0.822 341 HA PHE 50 HA PHE 50 -7.945 -3.357 -3.352 342 HB2 PHE 50 HB2 PHE 50 -5.679 -3.964 -1.542 343 HB3 PHE 50 HB1 PHE 50 -6.291 -5.311 -2.507 344 HD1 PHE 50 HD2 PHE 50 -4.957 -1.861 -2.727 345 HD2 PHE 50 HD1 PHE 50 -5.843 -5.464 -4.803 346 HE1 PHE 50 HE2 PHE 50 -3.782 -1.004 -4.705 347 HE2 PHE 50 HE1 PHE 50 -4.673 -4.614 -6.789 348 HZ PHE 50 HZ PHE 50 -3.641 -2.382 -6.745 349 H CYS 51 HN CYS 51 -8.447 -4.083 0.031 350 HA CYS 51 HA CYS 51 -9.786 -6.550 -0.381 351 HB2 CYS 51 HB2 CYS 51 -9.685 -4.570 1.852 352 HB3 CYS 51 HB1 CYS 51 -10.991 -5.748 1.848 353 H ARG 52 HN ARG 52 -10.955 -3.188 -0.190 354 HA ARG 52 HA ARG 52 -13.653 -3.891 -0.758 355 HB2 ARG 52 HB2 ARG 52 -12.220 -1.237 -0.990 356 HB3 ARG 52 HB1 ARG 52 -13.953 -1.447 -1.149 357 HG2 ARG 52 HG2 ARG 52 -12.390 -2.127 1.337 358 HG3 ARG 52 HG1 ARG 52 -13.209 -0.592 1.063 359 HD2 ARG 52 HD2 ARG 52 -14.695 -1.869 2.364 360 HD3 ARG 52 HD1 ARG 52 -15.331 -1.949 0.725 361 HE ARG 52 HE ARG 52 -13.677 -4.120 1.824 362 HH11 ARG 52 HH11 ARG 52 -16.678 -2.999 0.405 363 HH12 ARG 52 HH12 ARG 52 -17.306 -4.599 0.170 364 HH21 ARG 52 HH21 ARG 52 -14.524 -6.224 1.535 365 HH22 ARG 52 HH22 ARG 52 -16.081 -6.428 0.799 366 H MET 53 HN MET 53 -10.915 -3.781 -2.685 367 HA MET 53 HA MET 53 -12.526 -3.397 -5.125 368 HB2 MET 53 HB2 MET 53 -10.659 -1.722 -4.668 369 HB3 MET 53 HB1 MET 53 -9.534 -3.046 -4.929 370 HG2 MET 53 HG2 MET 53 -9.728 -1.741 -6.932 371 HG3 MET 53 HG1 MET 53 -10.435 -3.334 -7.195 372 HE1 MET 53 HE1 MET 53 -11.524 -2.279 -9.422 373 HE2 MET 53 HE2 MET 53 -10.886 -0.681 -9.030 374 HE3 MET 53 HE3 MET 53 -12.597 -0.880 -9.408 375 H LYS 54 HN LYS 54 -12.315 -5.803 -3.640 376 HA LYS 54 HA LYS 54 -10.686 -7.493 -5.406 377 HB2 LYS 54 HB2 LYS 54 -10.059 -7.640 -3.029 378 HB3 LYS 54 HB1 LYS 54 -11.715 -8.050 -2.615 379 HG2 LYS 54 HG2 LYS 54 -11.537 -10.130 -3.868 380 HG3 LYS 54 HG1 LYS 54 -9.882 -9.727 -4.320 381 HD2 LYS 54 HD2 LYS 54 -9.954 -11.306 -2.449 382 HD3 LYS 54 HD1 LYS 54 -9.212 -9.778 -1.981 383 HE2 LYS 54 HE2 LYS 54 -10.747 -10.638 -0.264 384 HE3 LYS 54 HE1 LYS 54 -11.261 -9.076 -0.897 385 HZ1 LYS 54 HZ1 LYS 54 -12.885 -10.196 -2.276 386 HZ2 LYS 54 HZ2 LYS 54 -13.111 -10.621 -0.655 387 HZ3 LYS 54 HZ3 LYS 54 -12.370 -11.708 -1.719 388 H GLU 55 HN GLU 55 -12.347 -7.398 -6.994 389 HA GLU 55 HA GLU 55 -14.522 -9.279 -6.491 390 HB2 GLU 55 HB2 GLU 55 -15.413 -7.013 -6.091 391 HB3 GLU 55 HB1 GLU 55 -14.919 -6.546 -7.708 392 HG2 GLU 55 HG2 GLU 55 -16.465 -8.201 -8.644 393 HG3 GLU 55 HG1 GLU 55 -16.972 -8.630 -7.010 394 H SER 56 HN SER 56 -13.041 -10.583 -7.763 395 HA SER 56 HA SER 56 -13.733 -10.409 -10.561 396 HB2 SER 56 HB2 SER 56 -11.553 -9.113 -10.246 397 HB3 SER 56 HB1 SER 56 -10.811 -10.654 -9.820 398 HG SER 56 HG SER 56 -11.041 -11.359 -11.850 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 17.473 -6.203 5.721 2 H2 GLY 1 HT2 GLY 1 17.936 -6.741 7.254 3 H3 GLY 1 HT3 GLY 1 17.566 -7.859 6.043 4 HA2 GLY 1 HA1 GLY 1 19.847 -5.970 5.996 5 HA3 GLY 1 HA2 GLY 1 19.956 -7.684 6.374 6 H ALA 2 HN ALA 2 19.488 -5.312 3.874 7 HA ALA 2 HA ALA 2 20.101 -7.361 1.872 8 HB1 ALA 2 HB1 ALA 2 17.659 -7.114 1.869 9 HB2 ALA 2 HB2 ALA 2 18.371 -6.537 0.362 10 HB3 ALA 2 HB3 ALA 2 17.838 -5.383 1.584 11 H MET 3 HN MET 3 22.003 -5.775 2.777 12 HA MET 3 HA MET 3 23.684 -4.433 2.077 13 HB2 MET 3 HB2 MET 3 23.310 -5.541 -0.120 14 HB3 MET 3 HB1 MET 3 22.174 -4.270 -0.541 15 HG2 MET 3 HG2 MET 3 23.912 -2.626 -0.553 16 HG3 MET 3 HG1 MET 3 25.074 -3.778 0.103 17 HE1 MET 3 HE1 MET 3 22.370 -4.534 -2.692 18 HE2 MET 3 HE2 MET 3 23.274 -4.095 -4.143 19 HE3 MET 3 HE3 MET 3 22.826 -2.855 -2.974 20 H GLY 4 HN GLY 4 22.342 -3.163 3.744 21 HA2 GLY 4 HA2 GLY 4 22.627 -0.513 3.481 22 HA3 GLY 4 HA1 GLY 4 21.067 -0.773 2.707 23 H MET 5 HN MET 5 20.171 0.570 4.416 24 HA MET 5 HA MET 5 19.758 -0.982 6.888 25 HB2 MET 5 HB2 MET 5 19.872 2.000 6.472 26 HB3 MET 5 HB1 MET 5 19.083 1.296 7.877 27 HG2 MET 5 HG2 MET 5 21.153 0.257 8.566 28 HG3 MET 5 HG1 MET 5 21.961 0.838 7.113 29 HE1 MET 5 HE1 MET 5 20.263 1.870 10.512 30 HE2 MET 5 HE2 MET 5 19.349 2.808 9.332 31 HE3 MET 5 HE3 MET 5 20.423 3.626 10.466 32 H ARG 6 HN ARG 6 18.064 1.740 5.337 33 HA ARG 6 HA ARG 6 15.638 0.072 5.327 34 HB2 ARG 6 HB2 ARG 6 15.896 3.087 5.402 35 HB3 ARG 6 HB1 ARG 6 14.378 2.219 5.228 36 HG2 ARG 6 HG2 ARG 6 14.751 1.169 7.422 37 HG3 ARG 6 HG1 ARG 6 16.235 2.108 7.595 38 HD2 ARG 6 HD2 ARG 6 14.971 4.173 7.513 39 HD3 ARG 6 HD1 ARG 6 13.480 3.278 7.223 40 HE ARG 6 HE ARG 6 14.779 2.471 9.635 41 HH11 ARG 6 HH11 ARG 6 12.704 4.917 8.241 42 HH12 ARG 6 HH12 ARG 6 11.953 5.320 9.749 43 HH21 ARG 6 HH21 ARG 6 13.779 2.975 11.614 44 HH22 ARG 6 HH22 ARG 6 12.558 4.209 11.674 45 H ASN 7 HN ASN 7 16.869 -0.726 3.347 46 HA ASN 7 HA ASN 7 16.792 1.028 1.051 47 HB2 ASN 7 HB2 ASN 7 18.558 -0.785 1.464 48 HB3 ASN 7 HB1 ASN 7 17.325 -1.944 0.980 49 HD21 ASN 7 HD21 ASN 7 16.708 -2.050 -1.180 50 HD22 ASN 7 HD22 ASN 7 17.578 -1.249 -2.436 51 H LEU 8 HN LEU 8 14.756 -1.194 2.618 52 HA LEU 8 HA LEU 8 12.524 -1.560 2.399 53 HB2 LEU 8 HB2 LEU 8 12.683 0.472 0.180 54 HB3 LEU 8 HB1 LEU 8 11.215 -0.083 0.957 55 HG LEU 8 HG LEU 8 13.422 1.439 2.353 56 HD11 LEU 8 HD11 LEU 8 11.812 3.306 2.355 57 HD12 LEU 8 HD12 LEU 8 10.748 2.361 1.314 58 HD13 LEU 8 HD13 LEU 8 12.335 2.858 0.732 59 HD21 LEU 8 HD21 LEU 8 11.687 1.720 4.118 60 HD22 LEU 8 HD22 LEU 8 12.236 0.059 3.919 61 HD23 LEU 8 HD23 LEU 8 10.681 0.557 3.254 62 H ASP 9 HN ASP 9 10.803 -1.817 0.390 63 HA ASP 9 HA ASP 9 11.752 -4.198 -0.956 64 HB2 ASP 9 HB2 ASP 9 9.564 -4.167 0.213 65 HB3 ASP 9 HB1 ASP 9 8.996 -2.946 -0.917 66 H GLU 10 HN GLU 10 12.544 -1.384 -1.721 67 HA GLU 10 HA GLU 10 13.075 -0.221 -3.593 68 HB2 GLU 10 HB2 GLU 10 11.537 -2.323 -5.123 69 HB3 GLU 10 HB1 GLU 10 12.547 -1.073 -5.834 70 HG2 GLU 10 HG2 GLU 10 13.530 -3.214 -3.965 71 HG3 GLU 10 HG1 GLU 10 13.625 -3.296 -5.723 72 H CYS 11 HN CYS 11 10.846 0.229 -1.954 73 HA CYS 11 HA CYS 11 8.884 1.425 -3.768 74 HB2 CYS 11 HB2 CYS 11 8.042 -0.102 -2.039 75 HB3 CYS 11 HB1 CYS 11 8.785 0.890 -0.802 76 H GLU 12 HN GLU 12 9.986 3.284 -4.355 77 HA GLU 12 HA GLU 12 11.461 4.874 -2.553 78 HB2 GLU 12 HB2 GLU 12 10.369 5.415 -5.296 79 HB3 GLU 12 HB1 GLU 12 11.255 6.633 -4.389 80 HG2 GLU 12 HG2 GLU 12 12.306 3.922 -5.173 81 HG3 GLU 12 HG1 GLU 12 12.703 5.452 -5.949 82 H VAL 13 HN VAL 13 8.079 4.752 -3.270 83 HA VAL 13 HA VAL 13 7.505 7.340 -2.248 84 HB VAL 13 HB VAL 13 5.914 6.317 -3.737 85 HG11 VAL 13 HG11 VAL 13 4.605 4.391 -3.189 86 HG12 VAL 13 HG12 VAL 13 5.401 4.244 -1.625 87 HG13 VAL 13 HG13 VAL 13 6.312 3.974 -3.110 88 HG21 VAL 13 HG21 VAL 13 3.864 6.708 -2.521 89 HG22 VAL 13 HG22 VAL 13 5.081 7.890 -2.036 90 HG23 VAL 13 HG23 VAL 13 4.712 6.521 -0.987 91 H CYS 14 HN CYS 14 7.832 4.140 -0.798 92 HA CYS 14 HA CYS 14 7.006 4.878 1.811 93 HB2 CYS 14 HB2 CYS 14 8.526 2.657 0.620 94 HB3 CYS 14 HB1 CYS 14 8.935 3.019 2.292 95 H ARG 15 HN ARG 15 9.959 5.243 0.026 96 HA ARG 15 HA ARG 15 11.644 6.122 2.113 97 HB2 ARG 15 HB2 ARG 15 12.471 5.422 -0.091 98 HB3 ARG 15 HB1 ARG 15 11.668 6.795 -0.834 99 HG2 ARG 15 HG2 ARG 15 13.136 8.304 0.455 100 HG3 ARG 15 HG1 ARG 15 13.985 6.888 1.085 101 HD2 ARG 15 HD2 ARG 15 14.494 6.214 -1.240 102 HD3 ARG 15 HD1 ARG 15 13.729 7.695 -1.809 103 HE ARG 15 HE ARG 15 15.654 8.519 -0.035 104 HH11 ARG 15 HH11 ARG 15 15.586 6.641 -2.996 105 HH12 ARG 15 HH12 ARG 15 17.197 7.099 -3.466 106 HH21 ARG 15 HH21 ARG 15 17.754 9.145 -0.669 107 HH22 ARG 15 HH22 ARG 15 18.425 8.535 -2.147 108 H ASP 16 HN ASP 16 9.413 7.757 -0.038 109 HA ASP 16 HA ASP 16 9.830 10.370 1.001 110 HB2 ASP 16 HB2 ASP 16 7.469 9.226 -0.507 111 HB3 ASP 16 HB1 ASP 16 7.722 10.938 -0.183 112 H GLY 17 HN GLY 17 8.440 7.699 2.401 113 HA2 GLY 17 HA2 GLY 17 7.471 7.572 4.521 114 HA3 GLY 17 HA1 GLY 17 7.212 9.312 4.480 115 H GLY 18 HN GLY 18 6.208 7.436 1.768 116 HA2 GLY 18 HA2 GLY 18 3.576 8.350 1.821 117 HA3 GLY 18 HA1 GLY 18 4.157 6.992 0.878 118 H GLU 19 HN GLU 19 1.639 7.418 2.275 119 HA GLU 19 HA GLU 19 1.711 5.540 4.497 120 HB2 GLU 19 HB2 GLU 19 -0.380 7.385 3.389 121 HB3 GLU 19 HB1 GLU 19 -0.785 6.159 4.586 122 HG2 GLU 19 HG2 GLU 19 1.272 8.334 4.945 123 HG3 GLU 19 HG1 GLU 19 -0.376 8.382 5.571 124 H LEU 20 HN LEU 20 0.176 3.798 4.645 125 HA LEU 20 HA LEU 20 -0.227 2.481 2.054 126 HB2 LEU 20 HB2 LEU 20 0.178 1.468 4.843 127 HB3 LEU 20 HB1 LEU 20 -0.593 0.455 3.639 128 HG LEU 20 HG LEU 20 2.146 1.662 3.255 129 HD11 LEU 20 HD11 LEU 20 3.044 -0.510 3.894 130 HD12 LEU 20 HD12 LEU 20 1.419 -1.094 4.253 131 HD13 LEU 20 HD13 LEU 20 2.131 0.193 5.229 132 HD21 LEU 20 HD21 LEU 20 0.669 -0.592 1.887 133 HD22 LEU 20 HD22 LEU 20 2.338 -0.130 1.570 134 HD23 LEU 20 HD23 LEU 20 1.029 0.990 1.197 135 H PHE 21 HN PHE 21 -2.221 1.906 1.384 136 HA PHE 21 HA PHE 21 -4.459 2.427 3.236 137 HB2 PHE 21 HB2 PHE 21 -4.490 2.687 0.212 138 HB3 PHE 21 HB1 PHE 21 -5.779 3.149 1.326 139 HD1 PHE 21 HD1 PHE 21 -5.403 5.056 2.912 140 HD2 PHE 21 HD2 PHE 21 -2.696 4.162 -0.258 141 HE1 PHE 21 HE1 PHE 21 -4.484 7.324 3.059 142 HE2 PHE 21 HE2 PHE 21 -1.771 6.432 -0.100 143 HZ PHE 21 HZ PHE 21 -2.541 7.955 1.655 144 H CYS 22 HN CYS 22 -3.068 -0.009 3.042 145 HA CYS 22 HA CYS 22 -5.178 -1.771 2.031 146 HB2 CYS 22 HB2 CYS 22 -2.242 -1.881 1.414 147 HB3 CYS 22 HB1 CYS 22 -3.182 -3.369 1.473 148 H CYS 23 HN CYS 23 -5.091 -3.931 2.978 149 HA CYS 23 HA CYS 23 -4.322 -3.884 5.752 150 HB2 CYS 23 HB2 CYS 23 -5.418 -6.007 5.927 151 HB3 CYS 23 HB1 CYS 23 -6.402 -5.045 4.827 152 H ASP 24 HN ASP 24 -2.955 -5.771 6.606 153 HA ASP 24 HA ASP 24 -0.391 -5.492 5.559 154 HB2 ASP 24 HB2 ASP 24 -1.532 -7.581 7.404 155 HB3 ASP 24 HB1 ASP 24 0.172 -7.537 6.967 156 H THR 25 HN THR 25 -2.749 -8.047 5.045 157 HA THR 25 HA THR 25 -1.155 -9.864 3.666 158 HB THR 25 HB THR 25 -4.095 -9.359 3.203 159 HG1 THR 25 HG1 THR 25 -2.677 -10.549 5.324 160 HG21 THR 25 HG21 THR 25 -3.079 -10.915 1.611 161 HG22 THR 25 HG22 THR 25 -4.162 -11.762 2.714 162 HG23 THR 25 HG23 THR 25 -2.418 -11.857 2.947 163 H CYS 26 HN CYS 26 -3.207 -7.235 2.360 164 HA CYS 26 HA CYS 26 -2.470 -7.826 -0.347 165 HB2 CYS 26 HB2 CYS 26 -3.831 -5.400 0.823 166 HB3 CYS 26 HB1 CYS 26 -3.605 -5.670 -0.896 167 H SER 27 HN SER 27 -1.266 -5.669 2.140 168 HA SER 27 HA SER 27 0.200 -3.940 0.458 169 HB2 SER 27 HB2 SER 27 -0.316 -3.357 2.779 170 HB3 SER 27 HB1 SER 27 0.695 -4.684 3.347 171 HG SER 27 HG SER 27 2.277 -3.321 3.265 172 H ARG 28 HN ARG 28 0.845 -7.131 1.689 173 HA ARG 28 HA ARG 28 3.634 -7.040 1.003 174 HB2 ARG 28 HB2 ARG 28 1.813 -9.303 1.818 175 HB3 ARG 28 HB1 ARG 28 3.527 -9.514 1.479 176 HG2 ARG 28 HG2 ARG 28 4.096 -8.003 3.292 177 HG3 ARG 28 HG1 ARG 28 2.384 -7.711 3.607 178 HD2 ARG 28 HD2 ARG 28 3.229 -9.304 5.200 179 HD3 ARG 28 HD1 ARG 28 2.106 -10.113 4.109 180 HE ARG 28 HE ARG 28 4.714 -10.407 3.110 181 HH11 ARG 28 HH11 ARG 28 2.716 -11.478 5.771 182 HH12 ARG 28 HH12 ARG 28 3.588 -12.961 6.000 183 HH21 ARG 28 HH21 ARG 28 5.875 -12.357 3.399 184 HH22 ARG 28 HH22 ARG 28 5.387 -13.466 4.643 185 H VAL 29 HN VAL 29 0.723 -7.629 -0.682 186 HA VAL 29 HA VAL 29 2.104 -9.133 -2.780 187 HB VAL 29 HB VAL 29 -0.853 -8.577 -2.554 188 HG11 VAL 29 HG11 VAL 29 0.686 -10.550 -4.235 189 HG12 VAL 29 HG12 VAL 29 -0.102 -9.084 -4.818 190 HG13 VAL 29 HG13 VAL 29 -1.069 -10.405 -4.164 191 HG21 VAL 29 HG21 VAL 29 -0.149 -9.893 -0.650 192 HG22 VAL 29 HG22 VAL 29 0.716 -11.007 -1.708 193 HG23 VAL 29 HG23 VAL 29 -1.043 -10.908 -1.781 194 H PHE 30 HN PHE 30 0.073 -6.233 -2.363 195 HA PHE 30 HA PHE 30 0.989 -5.332 -5.024 196 HB2 PHE 30 HB2 PHE 30 -1.614 -4.549 -3.685 197 HB3 PHE 30 HB1 PHE 30 -1.105 -4.156 -5.322 198 HD1 PHE 30 HD1 PHE 30 -0.638 -6.274 -6.859 199 HD2 PHE 30 HD2 PHE 30 -3.077 -6.272 -3.371 200 HE1 PHE 30 HE1 PHE 30 -1.816 -8.267 -7.684 201 HE2 PHE 30 HE2 PHE 30 -4.254 -8.269 -4.185 202 HZ PHE 30 HZ PHE 30 -3.626 -9.269 -6.347 203 H HIS 31 HN HIS 31 2.524 -4.860 -2.820 204 HA HIS 31 HA HIS 31 2.037 -2.774 -1.133 205 HB2 HIS 31 HB2 HIS 31 4.028 -4.255 -1.088 206 HB3 HIS 31 HB1 HIS 31 4.691 -3.361 -2.452 207 HD1 HIS 31 HD1 HIS 31 3.398 -2.407 1.036 208 HD2 HIS 31 HD2 HIS 31 6.471 -1.559 -1.634 209 HE1 HIS 31 HE1 HIS 31 4.928 -0.742 2.203 210 H GLU 32 HN GLU 32 3.321 -2.523 -4.418 211 HA GLU 32 HA GLU 32 3.983 0.228 -4.232 212 HB2 GLU 32 HB2 GLU 32 3.519 -1.532 -6.642 213 HB3 GLU 32 HB1 GLU 32 4.199 0.089 -6.706 214 HG2 GLU 32 HG2 GLU 32 6.142 -0.580 -5.529 215 HG3 GLU 32 HG1 GLU 32 5.431 -2.136 -5.104 216 H ASP 33 HN ASP 33 1.170 -1.490 -5.527 217 HA ASP 33 HA ASP 33 -0.104 0.923 -6.428 218 HB2 ASP 33 HB2 ASP 33 -1.058 -1.925 -6.171 219 HB3 ASP 33 HB1 ASP 33 -2.136 -0.622 -6.654 220 H CYS 34 HN CYS 34 0.042 -0.868 -3.503 221 HA CYS 34 HA CYS 34 -2.392 0.098 -2.357 222 HB2 CYS 34 HB2 CYS 34 -0.002 -1.399 -1.333 223 HB3 CYS 34 HB1 CYS 34 -1.173 -0.729 -0.195 224 H HIS 35 HN HIS 35 0.433 1.667 -3.045 225 HA HIS 35 HA HIS 35 0.209 3.532 -0.814 226 HB2 HIS 35 HB2 HIS 35 2.184 3.181 -3.047 227 HB3 HIS 35 HB1 HIS 35 2.138 4.676 -2.107 228 HD1 HIS 35 HD1 HIS 35 2.867 4.510 0.408 229 HD2 HIS 35 HD2 HIS 35 3.089 0.940 -1.702 230 HE1 HIS 35 HE1 HIS 35 4.114 2.883 1.892 231 H ILE 36 HN ILE 36 -1.304 3.029 -3.657 232 HA ILE 36 HA ILE 36 -1.803 5.889 -4.141 233 HB ILE 36 HB ILE 36 -2.271 3.565 -6.023 234 HG12 ILE 36 HG12 ILE 36 -0.063 5.638 -6.035 235 HG13 ILE 36 HG11 ILE 36 0.128 3.937 -5.626 236 HG21 ILE 36 HG21 ILE 36 -2.373 6.534 -6.540 237 HG22 ILE 36 HG22 ILE 36 -3.771 5.471 -6.393 238 HG23 ILE 36 HG23 ILE 36 -2.639 5.261 -7.728 239 HD11 ILE 36 HD11 ILE 36 -0.715 5.009 -8.308 240 HD12 ILE 36 HD12 ILE 36 -0.488 3.311 -7.897 241 HD13 ILE 36 HD13 ILE 36 0.888 4.412 -7.890 242 HA PRO 37 HA PRO 37 -3.147 7.226 -4.717 243 HB2 PRO 37 HB2 PRO 37 -5.328 8.681 -3.580 244 HB3 PRO 37 HB1 PRO 37 -5.064 8.310 -5.291 245 HG2 PRO 37 HG2 PRO 37 -7.135 7.308 -3.746 246 HG3 PRO 37 HG1 PRO 37 -6.546 6.582 -5.253 247 HD2 PRO 37 HD2 PRO 37 -5.929 5.830 -2.416 248 HD3 PRO 37 HD1 PRO 37 -6.208 4.781 -3.827 249 HA PRO 38 HA PRO 38 -1.089 8.175 -0.869 250 HB2 PRO 38 HB2 PRO 38 -0.661 10.802 -2.204 251 HB3 PRO 38 HB1 PRO 38 0.512 9.713 -1.454 252 HG2 PRO 38 HG2 PRO 38 0.337 9.877 -4.104 253 HG3 PRO 38 HG1 PRO 38 0.600 8.311 -3.306 254 HD2 PRO 38 HD2 PRO 38 -1.910 9.434 -4.505 255 HD3 PRO 38 HD1 PRO 38 -1.296 7.765 -4.525 256 H VAL 39 HN VAL 39 -1.244 9.646 0.918 257 HA VAL 39 HA VAL 39 -3.939 10.548 1.267 258 HB VAL 39 HB VAL 39 -2.988 9.429 3.127 259 HG11 VAL 39 HG11 VAL 39 -1.070 10.419 4.406 260 HG12 VAL 39 HG12 VAL 39 -0.776 11.458 3.010 261 HG13 VAL 39 HG13 VAL 39 -0.657 9.707 2.850 262 HG21 VAL 39 HG21 VAL 39 -3.275 11.077 4.924 263 HG22 VAL 39 HG22 VAL 39 -4.524 11.213 3.687 264 HG23 VAL 39 HG23 VAL 39 -3.196 12.372 3.729 265 H GLU 40 HN GLU 40 -4.306 12.320 0.032 266 HA GLU 40 HA GLU 40 -2.770 14.732 0.651 267 HB2 GLU 40 HB2 GLU 40 -4.677 13.996 -1.532 268 HB3 GLU 40 HB1 GLU 40 -4.534 15.686 -1.086 269 HG2 GLU 40 HG2 GLU 40 -3.107 15.238 -2.945 270 HG3 GLU 40 HG1 GLU 40 -2.114 15.571 -1.534 271 H ALA 41 HN ALA 41 -5.659 13.109 1.394 272 HA ALA 41 HA ALA 41 -6.610 15.459 2.883 273 HB1 ALA 41 HB1 ALA 41 -8.347 13.355 1.604 274 HB2 ALA 41 HB2 ALA 41 -8.067 14.972 0.963 275 HB3 ALA 41 HB3 ALA 41 -8.896 14.767 2.504 276 H GLU 42 HN GLU 42 -7.335 11.958 2.770 277 HA GLU 42 HA GLU 42 -6.910 11.879 5.679 278 HB2 GLU 42 HB2 GLU 42 -9.239 10.677 4.176 279 HB3 GLU 42 HB1 GLU 42 -8.882 10.373 5.869 280 HG2 GLU 42 HG2 GLU 42 -9.188 12.752 6.352 281 HG3 GLU 42 HG1 GLU 42 -9.568 13.036 4.653 282 H ARG 43 HN ARG 43 -6.252 9.897 6.542 283 HA ARG 43 HA ARG 43 -5.544 7.823 4.586 284 HB2 ARG 43 HB2 ARG 43 -3.522 7.337 5.939 285 HB3 ARG 43 HB1 ARG 43 -3.493 8.935 5.212 286 HG2 ARG 43 HG2 ARG 43 -4.089 9.947 7.331 287 HG3 ARG 43 HG1 ARG 43 -4.226 8.353 8.074 288 HD2 ARG 43 HD2 ARG 43 -1.855 7.949 7.683 289 HD3 ARG 43 HD1 ARG 43 -1.705 9.521 6.897 290 HE ARG 43 HE ARG 43 -2.691 10.165 9.322 291 HH11 ARG 43 HH11 ARG 43 0.037 8.159 8.377 292 HH12 ARG 43 HH12 ARG 43 0.960 8.556 9.797 293 HH21 ARG 43 HH21 ARG 43 -1.465 10.668 11.172 294 HH22 ARG 43 HH22 ARG 43 0.113 9.973 11.373 295 H THR 44 HN THR 44 -6.493 5.947 5.003 296 HA THR 44 HA THR 44 -7.208 5.351 7.795 297 HB THR 44 HB THR 44 -9.166 4.084 6.890 298 HG1 THR 44 HG1 THR 44 -8.300 3.908 4.710 299 HG21 THR 44 HG21 THR 44 -9.081 7.020 6.180 300 HG22 THR 44 HG22 THR 44 -9.447 6.354 7.771 301 HG23 THR 44 HG23 THR 44 -10.542 6.062 6.418 302 HA PRO 45 HA PRO 45 -4.381 2.011 6.251 303 HB2 PRO 45 HB2 PRO 45 -3.534 1.963 9.068 304 HB3 PRO 45 HB1 PRO 45 -2.559 2.159 7.605 305 HG2 PRO 45 HG2 PRO 45 -2.989 4.202 9.300 306 HG3 PRO 45 HG1 PRO 45 -2.867 4.448 7.547 307 HD2 PRO 45 HD2 PRO 45 -5.321 4.312 9.277 308 HD3 PRO 45 HD1 PRO 45 -4.949 5.428 7.942 309 H TRP 46 HN TRP 46 -6.822 2.223 8.625 310 HA TRP 46 HA TRP 46 -6.787 -0.620 9.237 311 HB2 TRP 46 HB2 TRP 46 -8.783 -0.075 10.654 312 HB3 TRP 46 HB1 TRP 46 -7.344 0.848 11.082 313 HD1 TRP 46 HD1 TRP 46 -10.836 1.263 9.569 314 HE1 TRP 46 HE1 TRP 46 -11.431 3.766 9.532 315 HE3 TRP 46 HE3 TRP 46 -6.310 3.197 10.970 316 HZ2 TRP 46 HZ2 TRP 46 -10.154 6.227 10.024 317 HZ3 TRP 46 HZ3 TRP 46 -6.087 5.642 11.161 318 HH2 TRP 46 HH2 TRP 46 -7.963 7.119 10.695 319 H ASN 47 HN ASN 47 -7.677 1.024 6.633 320 HA ASN 47 HA ASN 47 -9.938 -0.771 6.067 321 HB2 ASN 47 HB2 ASN 47 -10.754 1.568 6.390 322 HB3 ASN 47 HB1 ASN 47 -9.689 2.090 5.087 323 HD21 ASN 47 HD21 ASN 47 -11.336 2.800 3.770 324 HD22 ASN 47 HD22 ASN 47 -12.453 1.724 2.998 325 H CYS 48 HN CYS 48 -9.549 -2.035 4.342 326 HA CYS 48 HA CYS 48 -7.229 -1.371 2.698 327 HB2 CYS 48 HB2 CYS 48 -7.358 -3.596 3.840 328 HB3 CYS 48 HB1 CYS 48 -8.777 -3.972 2.870 329 H ILE 49 HN ILE 49 -7.511 -0.538 0.731 330 HA ILE 49 HA ILE 49 -10.132 -0.411 -0.442 331 HB ILE 49 HB ILE 49 -8.964 0.733 -2.361 332 HG12 ILE 49 HG12 ILE 49 -6.566 0.690 -0.529 333 HG13 ILE 49 HG11 ILE 49 -6.732 -0.342 -1.947 334 HG21 ILE 49 HG21 ILE 49 -10.018 2.007 -0.590 335 HG22 ILE 49 HG22 ILE 49 -8.527 2.800 -1.101 336 HG23 ILE 49 HG23 ILE 49 -8.564 1.877 0.400 337 HD11 ILE 49 HD11 ILE 49 -6.823 1.640 -3.369 338 HD12 ILE 49 HD12 ILE 49 -5.343 1.603 -2.407 339 HD13 ILE 49 HD13 ILE 49 -6.671 2.669 -1.944 340 H PHE 50 HN PHE 50 -7.399 -2.481 -0.742 341 HA PHE 50 HA PHE 50 -8.128 -3.438 -3.367 342 HB2 PHE 50 HB2 PHE 50 -5.882 -3.990 -1.505 343 HB3 PHE 50 HB1 PHE 50 -6.356 -5.299 -2.594 344 HD1 PHE 50 HD2 PHE 50 -5.294 -1.757 -2.493 345 HD2 PHE 50 HD1 PHE 50 -5.790 -5.252 -4.862 346 HE1 PHE 50 HE2 PHE 50 -4.090 -0.669 -4.336 347 HE2 PHE 50 HE1 PHE 50 -4.589 -4.173 -6.716 348 HZ PHE 50 HZ PHE 50 -3.738 -1.876 -6.456 349 H CYS 51 HN CYS 51 -8.627 -4.398 -0.037 350 HA CYS 51 HA CYS 51 -9.762 -6.928 -0.722 351 HB2 CYS 51 HB2 CYS 51 -9.713 -5.274 1.775 352 HB3 CYS 51 HB1 CYS 51 -10.853 -6.606 1.650 353 H ARG 52 HN ARG 52 -11.068 -3.659 -0.280 354 HA ARG 52 HA ARG 52 -13.771 -4.495 -0.579 355 HB2 ARG 52 HB2 ARG 52 -12.444 -1.795 -0.695 356 HB3 ARG 52 HB1 ARG 52 -14.165 -2.005 -0.963 357 HG2 ARG 52 HG2 ARG 52 -12.704 -2.809 1.548 358 HG3 ARG 52 HG1 ARG 52 -13.604 -1.308 1.335 359 HD2 ARG 52 HD2 ARG 52 -15.082 -2.749 2.459 360 HD3 ARG 52 HD1 ARG 52 -15.616 -2.775 0.781 361 HE ARG 52 HE ARG 52 -13.796 -4.886 1.651 362 HH11 ARG 52 HH11 ARG 52 -17.060 -3.925 0.800 363 HH12 ARG 52 HH12 ARG 52 -17.646 -5.556 0.703 364 HH21 ARG 52 HH21 ARG 52 -14.558 -7.029 1.492 365 HH22 ARG 52 HH22 ARG 52 -16.218 -7.321 1.078 366 H MET 53 HN MET 53 -11.571 -4.909 -2.818 367 HA MET 53 HA MET 53 -13.069 -3.800 -5.049 368 HB2 MET 53 HB2 MET 53 -11.361 -4.544 -6.472 369 HB3 MET 53 HB1 MET 53 -10.509 -4.091 -5.006 370 HG2 MET 53 HG2 MET 53 -10.397 -6.440 -4.341 371 HG3 MET 53 HG1 MET 53 -11.263 -6.894 -5.807 372 HE1 MET 53 HE1 MET 53 -9.272 -8.637 -6.302 373 HE2 MET 53 HE2 MET 53 -8.422 -8.094 -4.855 374 HE3 MET 53 HE3 MET 53 -7.575 -8.165 -6.400 375 H LYS 54 HN LYS 54 -13.457 -6.309 -3.021 376 HA LYS 54 HA LYS 54 -14.701 -8.038 -5.043 377 HB2 LYS 54 HB2 LYS 54 -12.877 -9.011 -3.599 378 HB3 LYS 54 HB1 LYS 54 -13.903 -8.729 -2.203 379 HG2 LYS 54 HG2 LYS 54 -15.598 -10.246 -3.224 380 HG3 LYS 54 HG1 LYS 54 -14.431 -10.605 -4.501 381 HD2 LYS 54 HD2 LYS 54 -12.856 -11.440 -2.833 382 HD3 LYS 54 HD1 LYS 54 -14.002 -11.059 -1.547 383 HE2 LYS 54 HE2 LYS 54 -14.102 -13.417 -2.053 384 HE3 LYS 54 HE1 LYS 54 -15.604 -12.642 -2.544 385 HZ1 LYS 54 HZ1 LYS 54 -14.767 -14.223 -4.196 386 HZ2 LYS 54 HZ2 LYS 54 -13.360 -13.304 -4.374 387 HZ3 LYS 54 HZ3 LYS 54 -14.855 -12.655 -4.818 388 H GLU 55 HN GLU 55 -16.287 -6.045 -4.726 389 HA GLU 55 HA GLU 55 -18.177 -6.727 -2.575 390 HB2 GLU 55 HB2 GLU 55 -18.005 -4.152 -4.143 391 HB3 GLU 55 HB1 GLU 55 -19.088 -4.486 -2.799 392 HG2 GLU 55 HG2 GLU 55 -17.063 -4.808 -1.366 393 HG3 GLU 55 HG1 GLU 55 -16.098 -4.215 -2.716 394 H SER 56 HN SER 56 -18.434 -8.492 -4.370 395 HA SER 56 HA SER 56 -20.660 -7.657 -6.098 396 HB2 SER 56 HB2 SER 56 -18.627 -9.811 -6.738 397 HB3 SER 56 HB1 SER 56 -19.922 -9.235 -7.786 398 HG SER 56 HG SER 56 -18.853 -7.123 -7.627 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 11.924 -13.067 6.973 2 H2 GLY 1 HT2 GLY 1 10.477 -12.965 7.836 3 H3 GLY 1 HT3 GLY 1 11.450 -14.341 7.976 4 HA2 GLY 1 HA1 GLY 1 11.686 -12.954 9.920 5 HA3 GLY 1 HA2 GLY 1 13.191 -13.049 9.015 6 H ALA 2 HN ALA 2 14.130 -11.125 9.416 7 HA ALA 2 HA ALA 2 12.475 -8.709 9.298 8 HB1 ALA 2 HB1 ALA 2 15.296 -9.038 10.311 9 HB2 ALA 2 HB2 ALA 2 13.843 -9.064 11.310 10 HB3 ALA 2 HB3 ALA 2 14.296 -7.593 10.449 11 H MET 3 HN MET 3 13.869 -10.394 7.046 12 HA MET 3 HA MET 3 14.526 -8.043 5.469 13 HB2 MET 3 HB2 MET 3 16.677 -8.798 6.497 14 HB3 MET 3 HB1 MET 3 16.480 -10.344 5.685 15 HG2 MET 3 HG2 MET 3 18.024 -8.888 4.485 16 HG3 MET 3 HG1 MET 3 16.597 -9.253 3.518 17 HE1 MET 3 HE1 MET 3 17.580 -5.602 2.435 18 HE2 MET 3 HE2 MET 3 17.229 -7.234 1.864 19 HE3 MET 3 HE3 MET 3 18.655 -6.934 2.856 20 H GLY 4 HN GLY 4 12.283 -9.338 5.156 21 HA2 GLY 4 HA2 GLY 4 12.730 -11.070 2.802 22 HA3 GLY 4 HA1 GLY 4 11.367 -11.262 3.895 23 H MET 5 HN MET 5 10.243 -8.954 4.216 24 HA MET 5 HA MET 5 9.264 -8.291 1.573 25 HB2 MET 5 HB2 MET 5 8.386 -7.278 4.286 26 HB3 MET 5 HB1 MET 5 7.566 -6.960 2.766 27 HG2 MET 5 HG2 MET 5 6.344 -8.664 3.831 28 HG3 MET 5 HG1 MET 5 7.252 -9.451 2.543 29 HE1 MET 5 HE1 MET 5 7.192 -12.230 5.284 30 HE2 MET 5 HE2 MET 5 6.870 -11.838 3.594 31 HE3 MET 5 HE3 MET 5 5.899 -11.105 4.871 32 H ARG 6 HN ARG 6 11.716 -7.496 1.468 33 HA ARG 6 HA ARG 6 11.978 -4.742 2.393 34 HB2 ARG 6 HB2 ARG 6 13.850 -6.424 2.582 35 HB3 ARG 6 HB1 ARG 6 13.964 -6.400 0.831 36 HG2 ARG 6 HG2 ARG 6 15.665 -4.998 1.848 37 HG3 ARG 6 HG1 ARG 6 14.544 -4.037 0.884 38 HD2 ARG 6 HD2 ARG 6 15.088 -2.951 3.016 39 HD3 ARG 6 HD1 ARG 6 13.374 -3.340 2.893 40 HE ARG 6 HE ARG 6 14.399 -5.478 4.196 41 HH11 ARG 6 HH11 ARG 6 14.609 -2.024 4.735 42 HH12 ARG 6 HH12 ARG 6 14.754 -2.173 6.458 43 HH21 ARG 6 HH21 ARG 6 14.589 -5.681 6.462 44 HH22 ARG 6 HH22 ARG 6 14.753 -4.255 7.439 45 H ASN 7 HN ASN 7 9.995 -5.342 0.449 46 HA ASN 7 HA ASN 7 10.948 -4.482 -2.130 47 HB2 ASN 7 HB2 ASN 7 8.980 -6.048 -1.771 48 HB3 ASN 7 HB1 ASN 7 8.070 -4.651 -1.208 49 HD21 ASN 7 HD21 ASN 7 10.414 -4.726 -3.842 50 HD22 ASN 7 HD22 ASN 7 9.284 -4.333 -5.090 51 H LEU 8 HN LEU 8 10.031 -3.024 0.756 52 HA LEU 8 HA LEU 8 9.018 -0.573 -0.339 53 HB2 LEU 8 HB2 LEU 8 9.088 0.227 2.000 54 HB3 LEU 8 HB1 LEU 8 8.208 -1.274 1.804 55 HG LEU 8 HG LEU 8 10.589 -2.291 2.485 56 HD11 LEU 8 HD11 LEU 8 11.676 -0.114 2.682 57 HD12 LEU 8 HD12 LEU 8 11.615 -0.943 4.237 58 HD13 LEU 8 HD13 LEU 8 10.492 0.372 3.894 59 HD21 LEU 8 HD21 LEU 8 9.730 -2.453 4.770 60 HD22 LEU 8 HD22 LEU 8 8.466 -2.756 3.578 61 HD23 LEU 8 HD23 LEU 8 8.539 -1.203 4.409 62 H ASP 9 HN ASP 9 12.042 -1.862 -0.150 63 HA ASP 9 HA ASP 9 13.513 0.525 0.526 64 HB2 ASP 9 HB2 ASP 9 14.446 -1.723 0.969 65 HB3 ASP 9 HB1 ASP 9 14.498 -2.031 -0.763 66 H GLU 10 HN GLU 10 12.462 -1.135 -2.338 67 HA GLU 10 HA GLU 10 13.635 0.918 -4.064 68 HB2 GLU 10 HB2 GLU 10 12.195 -1.629 -4.827 69 HB3 GLU 10 HB1 GLU 10 13.108 -0.578 -5.904 70 HG2 GLU 10 HG2 GLU 10 15.162 -1.122 -4.790 71 HG3 GLU 10 HG1 GLU 10 14.298 -2.051 -3.567 72 H CYS 11 HN CYS 11 11.246 1.038 -2.233 73 HA CYS 11 HA CYS 11 9.162 1.849 -4.133 74 HB2 CYS 11 HB2 CYS 11 8.556 0.209 -2.375 75 HB3 CYS 11 HB1 CYS 11 9.030 1.363 -1.147 76 H GLU 12 HN GLU 12 9.714 3.853 -4.728 77 HA GLU 12 HA GLU 12 11.226 5.718 -3.376 78 HB2 GLU 12 HB2 GLU 12 9.005 6.309 -5.329 79 HB3 GLU 12 HB1 GLU 12 10.338 7.375 -4.921 80 HG2 GLU 12 HG2 GLU 12 11.913 5.789 -5.902 81 HG3 GLU 12 HG1 GLU 12 10.572 4.717 -6.312 82 H VAL 13 HN VAL 13 7.730 5.346 -3.420 83 HA VAL 13 HA VAL 13 7.219 7.719 -1.971 84 HB VAL 13 HB VAL 13 5.546 6.773 -3.435 85 HG11 VAL 13 HG11 VAL 13 4.369 4.728 -2.932 86 HG12 VAL 13 HG12 VAL 13 5.373 4.474 -1.507 87 HG13 VAL 13 HG13 VAL 13 6.091 4.411 -3.116 88 HG21 VAL 13 HG21 VAL 13 3.602 6.920 -2.000 89 HG22 VAL 13 HG22 VAL 13 4.800 8.128 -1.527 90 HG23 VAL 13 HG23 VAL 13 4.611 6.651 -0.582 91 H CYS 14 HN CYS 14 7.885 4.416 -1.005 92 HA CYS 14 HA CYS 14 7.105 4.726 1.717 93 HB2 CYS 14 HB2 CYS 14 8.559 2.717 0.150 94 HB3 CYS 14 HB1 CYS 14 9.072 2.840 1.827 95 H ARG 15 HN ARG 15 9.933 5.509 -0.116 96 HA ARG 15 HA ARG 15 11.692 5.939 2.075 97 HB2 ARG 15 HB2 ARG 15 11.777 7.236 -0.651 98 HB3 ARG 15 HB1 ARG 15 13.105 7.137 0.496 99 HG2 ARG 15 HG2 ARG 15 13.129 4.709 0.267 100 HG3 ARG 15 HG1 ARG 15 11.793 4.804 -0.879 101 HD2 ARG 15 HD2 ARG 15 14.587 5.885 -1.214 102 HD3 ARG 15 HD1 ARG 15 13.826 4.583 -2.126 103 HE ARG 15 HE ARG 15 12.453 7.105 -2.345 104 HH11 ARG 15 HH11 ARG 15 14.987 5.083 -3.669 105 HH12 ARG 15 HH12 ARG 15 15.034 5.920 -5.187 106 HH21 ARG 15 HH21 ARG 15 12.503 8.196 -4.352 107 HH22 ARG 15 HH22 ARG 15 13.620 7.688 -5.577 108 H ASP 16 HN ASP 16 9.425 7.927 0.312 109 HA ASP 16 HA ASP 16 10.009 10.315 1.790 110 HB2 ASP 16 HB2 ASP 16 7.784 9.569 -0.105 111 HB3 ASP 16 HB1 ASP 16 7.876 11.142 0.681 112 H GLY 17 HN GLY 17 8.577 7.547 2.746 113 HA2 GLY 17 HA2 GLY 17 7.498 7.086 4.744 114 HA3 GLY 17 HA1 GLY 17 7.389 8.818 5.039 115 H GLY 18 HN GLY 18 6.221 7.301 2.112 116 HA2 GLY 18 HA2 GLY 18 3.665 8.427 2.257 117 HA3 GLY 18 HA1 GLY 18 4.122 7.083 1.230 118 H GLU 19 HN GLU 19 1.613 7.202 2.211 119 HA GLU 19 HA GLU 19 1.575 5.371 4.507 120 HB2 GLU 19 HB2 GLU 19 -0.599 7.156 3.411 121 HB3 GLU 19 HB1 GLU 19 -0.800 6.058 4.771 122 HG2 GLU 19 HG2 GLU 19 1.118 7.354 5.862 123 HG3 GLU 19 HG1 GLU 19 0.856 8.555 4.600 124 H LEU 20 HN LEU 20 0.581 3.448 4.400 125 HA LEU 20 HA LEU 20 -0.072 2.415 1.769 126 HB2 LEU 20 HB2 LEU 20 0.307 1.201 4.488 127 HB3 LEU 20 HB1 LEU 20 -0.414 0.278 3.184 128 HG LEU 20 HG LEU 20 2.291 1.579 2.912 129 HD11 LEU 20 HD11 LEU 20 3.260 -0.600 3.464 130 HD12 LEU 20 HD12 LEU 20 1.654 -1.210 3.866 131 HD13 LEU 20 HD13 LEU 20 2.375 0.079 4.830 132 HD21 LEU 20 HD21 LEU 20 1.203 0.917 0.834 133 HD22 LEU 20 HD22 LEU 20 0.928 -0.701 1.475 134 HD23 LEU 20 HD23 LEU 20 2.571 -0.140 1.176 135 H PHE 21 HN PHE 21 -2.084 1.735 1.118 136 HA PHE 21 HA PHE 21 -4.314 2.343 2.955 137 HB2 PHE 21 HB2 PHE 21 -4.431 2.252 -0.075 138 HB3 PHE 21 HB1 PHE 21 -5.653 2.901 1.020 139 HD1 PHE 21 HD1 PHE 21 -4.958 4.906 2.468 140 HD2 PHE 21 HD2 PHE 21 -2.819 3.665 -1.000 141 HE1 PHE 21 HE1 PHE 21 -3.984 7.151 2.268 142 HE2 PHE 21 HE2 PHE 21 -1.838 5.908 -1.196 143 HZ PHE 21 HZ PHE 21 -2.264 7.584 0.479 144 H CYS 22 HN CYS 22 -2.889 -0.085 2.994 145 HA CYS 22 HA CYS 22 -4.981 -1.962 2.183 146 HB2 CYS 22 HB2 CYS 22 -2.088 -1.998 1.384 147 HB3 CYS 22 HB1 CYS 22 -2.996 -3.504 1.491 148 H CYS 23 HN CYS 23 -4.861 -4.027 3.244 149 HA CYS 23 HA CYS 23 -4.047 -3.989 5.975 150 HB2 CYS 23 HB2 CYS 23 -4.657 -6.472 4.356 151 HB3 CYS 23 HB1 CYS 23 -4.887 -6.224 6.086 152 H ASP 24 HN ASP 24 -2.484 -5.683 6.888 153 HA ASP 24 HA ASP 24 0.063 -5.436 5.836 154 HB2 ASP 24 HB2 ASP 24 -1.042 -7.664 7.557 155 HB3 ASP 24 HB1 ASP 24 0.669 -7.436 7.222 156 H THR 25 HN THR 25 -2.177 -8.152 5.412 157 HA THR 25 HA THR 25 -0.497 -9.663 3.726 158 HB THR 25 HB THR 25 -3.513 -9.722 3.855 159 HG1 THR 25 HG1 THR 25 -1.521 -11.073 5.388 160 HG21 THR 25 HG21 THR 25 -3.266 -12.043 3.126 161 HG22 THR 25 HG22 THR 25 -1.517 -11.839 3.042 162 HG23 THR 25 HG23 THR 25 -2.562 -10.942 1.942 163 H CYS 26 HN CYS 26 -3.158 -7.410 2.981 164 HA CYS 26 HA CYS 26 -3.086 -7.780 0.189 165 HB2 CYS 26 HB2 CYS 26 -4.009 -5.343 1.733 166 HB3 CYS 26 HB1 CYS 26 -4.423 -5.724 0.063 167 H SER 27 HN SER 27 -1.445 -5.502 2.311 168 HA SER 27 HA SER 27 -0.168 -3.993 0.283 169 HB2 SER 27 HB2 SER 27 -0.408 -3.163 2.575 170 HB3 SER 27 HB1 SER 27 0.633 -4.454 3.166 171 HG SER 27 HG SER 27 2.176 -3.083 2.834 172 H ARG 28 HN ARG 28 0.565 -7.032 1.822 173 HA ARG 28 HA ARG 28 3.301 -7.115 1.012 174 HB2 ARG 28 HB2 ARG 28 2.415 -8.371 2.950 175 HB3 ARG 28 HB1 ARG 28 1.462 -9.360 1.856 176 HG2 ARG 28 HG2 ARG 28 3.491 -10.236 0.850 177 HG3 ARG 28 HG1 ARG 28 4.468 -9.212 1.907 178 HD2 ARG 28 HD2 ARG 28 2.571 -11.377 2.804 179 HD3 ARG 28 HD1 ARG 28 4.328 -11.507 2.750 180 HE ARG 28 HE ARG 28 3.772 -9.296 4.305 181 HH11 ARG 28 HH11 ARG 28 3.014 -12.706 4.412 182 HH12 ARG 28 HH12 ARG 28 3.000 -12.776 6.144 183 HH21 ARG 28 HH21 ARG 28 3.756 -9.380 6.577 184 HH22 ARG 28 HH22 ARG 28 3.430 -10.884 7.379 185 H VAL 29 HN VAL 29 0.296 -7.777 -0.510 186 HA VAL 29 HA VAL 29 1.575 -9.322 -2.628 187 HB VAL 29 HB VAL 29 -1.346 -8.637 -2.272 188 HG11 VAL 29 HG11 VAL 29 -0.749 -9.058 -4.608 189 HG12 VAL 29 HG12 VAL 29 -1.744 -10.361 -3.962 190 HG13 VAL 29 HG13 VAL 29 -0.006 -10.587 -4.146 191 HG21 VAL 29 HG21 VAL 29 0.161 -11.173 -1.657 192 HG22 VAL 29 HG22 VAL 29 -1.593 -10.997 -1.610 193 HG23 VAL 29 HG23 VAL 29 -0.585 -10.083 -0.488 194 H PHE 30 HN PHE 30 -0.187 -6.265 -2.161 195 HA PHE 30 HA PHE 30 0.604 -5.512 -4.908 196 HB2 PHE 30 HB2 PHE 30 -1.814 -4.483 -3.405 197 HB3 PHE 30 HB1 PHE 30 -1.394 -4.159 -5.082 198 HD1 PHE 30 HD1 PHE 30 -1.398 -6.161 -6.705 199 HD2 PHE 30 HD2 PHE 30 -3.205 -6.236 -2.848 200 HE1 PHE 30 HE1 PHE 30 -2.802 -8.052 -7.401 201 HE2 PHE 30 HE2 PHE 30 -4.604 -8.136 -3.537 202 HZ PHE 30 HZ PHE 30 -4.405 -9.047 -5.815 203 H HIS 31 HN HIS 31 2.366 -5.031 -2.822 204 HA HIS 31 HA HIS 31 2.058 -2.813 -1.241 205 HB2 HIS 31 HB2 HIS 31 3.969 -4.371 -1.122 206 HB3 HIS 31 HB1 HIS 31 4.612 -3.682 -2.609 207 HD1 HIS 31 HD1 HIS 31 3.712 -2.451 0.901 208 HD2 HIS 31 HD2 HIS 31 6.420 -1.742 -2.171 209 HE1 HIS 31 HE1 HIS 31 5.363 -0.745 1.785 210 H GLU 32 HN GLU 32 3.327 -2.872 -4.553 211 HA GLU 32 HA GLU 32 4.066 -0.157 -4.636 212 HB2 GLU 32 HB2 GLU 32 3.235 -1.864 -6.987 213 HB3 GLU 32 HB1 GLU 32 4.275 -0.448 -7.026 214 HG2 GLU 32 HG2 GLU 32 5.875 -2.043 -7.113 215 HG3 GLU 32 HG1 GLU 32 5.708 -1.949 -5.364 216 H ASP 33 HN ASP 33 1.101 -1.807 -5.592 217 HA ASP 33 HA ASP 33 -0.102 0.592 -6.632 218 HB2 ASP 33 HB2 ASP 33 -1.211 -2.173 -6.135 219 HB3 ASP 33 HB1 ASP 33 -2.167 -0.850 -6.793 220 H CYS 34 HN CYS 34 0.038 -1.029 -3.592 221 HA CYS 34 HA CYS 34 -2.336 0.123 -2.484 222 HB2 CYS 34 HB2 CYS 34 -0.002 -1.395 -1.336 223 HB3 CYS 34 HB1 CYS 34 -1.224 -0.677 -0.288 224 H HIS 35 HN HIS 35 0.410 1.583 -3.396 225 HA HIS 35 HA HIS 35 0.331 3.569 -1.241 226 HB2 HIS 35 HB2 HIS 35 2.283 3.041 -3.472 227 HB3 HIS 35 HB1 HIS 35 2.309 4.548 -2.551 228 HD1 HIS 35 HD1 HIS 35 2.967 4.343 0.014 229 HD2 HIS 35 HD2 HIS 35 3.232 0.826 -2.181 230 HE1 HIS 35 HE1 HIS 35 4.245 2.700 1.455 231 H ILE 36 HN ILE 36 -1.141 2.927 -4.108 232 HA ILE 36 HA ILE 36 -1.542 5.769 -4.767 233 HB ILE 36 HB ILE 36 -1.585 3.322 -6.541 234 HG12 ILE 36 HG12 ILE 36 -0.078 4.873 -7.945 235 HG13 ILE 36 HG11 ILE 36 0.030 5.869 -6.503 236 HG21 ILE 36 HG21 ILE 36 -2.453 4.623 -8.361 237 HG22 ILE 36 HG22 ILE 36 -2.502 6.069 -7.357 238 HG23 ILE 36 HG23 ILE 36 -3.574 4.717 -7.002 239 HD11 ILE 36 HD11 ILE 36 0.968 3.950 -5.284 240 HD12 ILE 36 HD12 ILE 36 1.950 4.438 -6.664 241 HD13 ILE 36 HD13 ILE 36 0.923 3.010 -6.775 242 HA PRO 37 HA PRO 37 -2.980 7.067 -5.741 243 HB2 PRO 37 HB2 PRO 37 -5.016 8.552 -4.305 244 HB3 PRO 37 HB1 PRO 37 -4.812 8.356 -6.053 245 HG2 PRO 37 HG2 PRO 37 -6.881 7.267 -4.652 246 HG3 PRO 37 HG1 PRO 37 -6.231 6.562 -6.141 247 HD2 PRO 37 HD2 PRO 37 -5.728 5.775 -3.295 248 HD3 PRO 37 HD1 PRO 37 -5.984 4.745 -4.721 249 HA PRO 38 HA PRO 38 -0.402 7.913 -2.224 250 HB2 PRO 38 HB2 PRO 38 0.152 10.414 -3.741 251 HB3 PRO 38 HB1 PRO 38 1.279 9.226 -3.074 252 HG2 PRO 38 HG2 PRO 38 0.805 9.299 -5.695 253 HG3 PRO 38 HG1 PRO 38 0.987 7.749 -4.844 254 HD2 PRO 38 HD2 PRO 38 -1.512 9.106 -5.799 255 HD3 PRO 38 HD1 PRO 38 -1.093 7.380 -5.805 256 H VAL 39 HN VAL 39 -0.726 8.942 -0.343 257 HA VAL 39 HA VAL 39 -3.071 10.502 -0.039 258 HB VAL 39 HB VAL 39 -2.438 9.007 1.737 259 HG11 VAL 39 HG11 VAL 39 -0.063 8.968 1.595 260 HG12 VAL 39 HG12 VAL 39 -0.493 9.539 3.205 261 HG13 VAL 39 HG13 VAL 39 0.043 10.685 1.979 262 HG21 VAL 39 HG21 VAL 39 -3.723 10.967 2.359 263 HG22 VAL 39 HG22 VAL 39 -2.238 11.877 2.625 264 HG23 VAL 39 HG23 VAL 39 -2.629 10.504 3.660 265 H GLU 40 HN GLU 40 -3.295 12.548 -0.409 266 HA GLU 40 HA GLU 40 -1.022 14.365 -0.033 267 HB2 GLU 40 HB2 GLU 40 -2.043 14.457 -2.256 268 HB3 GLU 40 HB1 GLU 40 -3.621 14.735 -1.542 269 HG2 GLU 40 HG2 GLU 40 -2.704 16.855 -0.579 270 HG3 GLU 40 HG1 GLU 40 -1.266 16.593 -1.569 271 H ALA 41 HN ALA 41 -4.391 13.773 0.753 272 HA ALA 41 HA ALA 41 -4.182 14.695 3.393 273 HB1 ALA 41 HB1 ALA 41 -5.621 16.602 1.550 274 HB2 ALA 41 HB2 ALA 41 -4.085 16.914 2.355 275 HB3 ALA 41 HB3 ALA 41 -5.554 16.709 3.309 276 H GLU 42 HN GLU 42 -6.203 14.034 0.615 277 HA GLU 42 HA GLU 42 -8.523 13.515 2.328 278 HB2 GLU 42 HB2 GLU 42 -8.352 13.695 -0.682 279 HB3 GLU 42 HB1 GLU 42 -9.823 13.602 0.276 280 HG2 GLU 42 HG2 GLU 42 -9.466 15.768 1.184 281 HG3 GLU 42 HG1 GLU 42 -7.843 15.851 0.501 282 H ARG 43 HN ARG 43 -6.614 11.560 2.579 283 HA ARG 43 HA ARG 43 -7.947 9.298 1.278 284 HB2 ARG 43 HB2 ARG 43 -4.952 9.669 1.469 285 HB3 ARG 43 HB1 ARG 43 -5.738 8.172 0.993 286 HG2 ARG 43 HG2 ARG 43 -6.045 10.781 -0.471 287 HG3 ARG 43 HG1 ARG 43 -4.885 9.526 -0.905 288 HD2 ARG 43 HD2 ARG 43 -6.655 7.973 -1.371 289 HD3 ARG 43 HD1 ARG 43 -7.864 9.088 -0.739 290 HE ARG 43 HE ARG 43 -6.510 10.369 -2.820 291 HH11 ARG 43 HH11 ARG 43 -8.633 7.623 -2.377 292 HH12 ARG 43 HH12 ARG 43 -9.375 7.785 -3.937 293 HH21 ARG 43 HH21 ARG 43 -7.492 10.583 -4.882 294 HH22 ARG 43 HH22 ARG 43 -8.719 9.450 -5.362 295 H THR 44 HN THR 44 -8.272 7.569 2.578 296 HA THR 44 HA THR 44 -7.493 7.928 5.373 297 HB THR 44 HB THR 44 -9.314 6.229 5.809 298 HG1 THR 44 HG1 THR 44 -10.613 5.617 4.152 299 HG21 THR 44 HG21 THR 44 -9.708 8.617 6.115 300 HG22 THR 44 HG22 THR 44 -11.144 7.849 5.440 301 HG23 THR 44 HG23 THR 44 -10.076 8.793 4.401 302 HA PRO 45 HA PRO 45 -4.529 4.656 4.469 303 HB2 PRO 45 HB2 PRO 45 -3.791 4.949 7.298 304 HB3 PRO 45 HB1 PRO 45 -2.809 5.190 5.848 305 HG2 PRO 45 HG2 PRO 45 -3.630 7.249 7.389 306 HG3 PRO 45 HG1 PRO 45 -3.421 7.398 5.634 307 HD2 PRO 45 HD2 PRO 45 -5.939 7.073 7.228 308 HD3 PRO 45 HD1 PRO 45 -5.630 8.077 5.791 309 H TRP 46 HN TRP 46 -6.899 4.700 7.020 310 HA TRP 46 HA TRP 46 -6.426 1.899 7.674 311 HB2 TRP 46 HB2 TRP 46 -8.232 2.235 9.367 312 HB3 TRP 46 HB1 TRP 46 -6.880 3.344 9.562 313 HD1 TRP 46 HD1 TRP 46 -10.583 3.261 8.631 314 HE1 TRP 46 HE1 TRP 46 -11.511 5.659 8.682 315 HE3 TRP 46 HE3 TRP 46 -6.200 5.814 9.246 316 HZ2 TRP 46 HZ2 TRP 46 -10.521 8.278 8.948 317 HZ3 TRP 46 HZ3 TRP 46 -6.280 8.271 9.385 318 HH2 TRP 46 HH2 TRP 46 -8.390 9.473 9.235 319 H ASN 47 HN ASN 47 -7.452 2.820 5.048 320 HA ASN 47 HA ASN 47 -9.842 1.117 4.977 321 HB2 ASN 47 HB2 ASN 47 -10.569 3.451 4.727 322 HB3 ASN 47 HB1 ASN 47 -9.421 3.678 3.414 323 HD21 ASN 47 HD21 ASN 47 -11.414 0.809 3.914 324 HD22 ASN 47 HD22 ASN 47 -12.366 1.011 2.482 325 H CYS 48 HN CYS 48 -9.433 -0.609 3.773 326 HA CYS 48 HA CYS 48 -7.129 -0.605 2.002 327 HB2 CYS 48 HB2 CYS 48 -7.450 -2.456 3.619 328 HB3 CYS 48 HB1 CYS 48 -8.983 -2.847 2.855 329 H ILE 49 HN ILE 49 -7.348 -0.264 -0.091 330 HA ILE 49 HA ILE 49 -9.978 -0.141 -1.273 331 HB ILE 49 HB ILE 49 -8.650 0.466 -3.380 332 HG12 ILE 49 HG12 ILE 49 -6.418 0.739 -1.358 333 HG13 ILE 49 HG11 ILE 49 -6.491 -0.505 -2.602 334 HG21 ILE 49 HG21 ILE 49 -8.266 2.759 -2.589 335 HG22 ILE 49 HG22 ILE 49 -8.411 2.204 -0.922 336 HG23 ILE 49 HG23 ILE 49 -9.801 2.116 -2.006 337 HD11 ILE 49 HD11 ILE 49 -6.379 1.220 -4.322 338 HD12 ILE 49 HD12 ILE 49 -5.002 1.318 -3.223 339 HD13 ILE 49 HD13 ILE 49 -6.333 2.464 -3.075 340 H PHE 50 HN PHE 50 -7.346 -2.378 -1.173 341 HA PHE 50 HA PHE 50 -8.125 -3.736 -3.585 342 HB2 PHE 50 HB2 PHE 50 -5.927 -4.158 -1.604 343 HB3 PHE 50 HB1 PHE 50 -6.371 -5.463 -2.711 344 HD1 PHE 50 HD1 PHE 50 -6.034 -5.257 -5.082 345 HD2 PHE 50 HD2 PHE 50 -4.986 -2.086 -2.454 346 HE1 PHE 50 HE1 PHE 50 -4.796 -4.168 -6.901 347 HE2 PHE 50 HE2 PHE 50 -3.745 -0.988 -4.263 348 HZ PHE 50 HZ PHE 50 -3.651 -2.029 -6.497 349 H CYS 51 HN CYS 51 -8.729 -4.125 -0.163 350 HA CYS 51 HA CYS 51 -9.820 -6.716 -0.281 351 HB2 CYS 51 HB2 CYS 51 -10.021 -4.418 1.575 352 HB3 CYS 51 HB1 CYS 51 -11.341 -5.581 1.644 353 H ARG 52 HN ARG 52 -11.171 -3.569 -1.121 354 HA ARG 52 HA ARG 52 -13.758 -4.734 -1.688 355 HB2 ARG 52 HB2 ARG 52 -12.732 -1.940 -2.229 356 HB3 ARG 52 HB1 ARG 52 -14.400 -2.471 -2.383 357 HG2 ARG 52 HG2 ARG 52 -14.446 -2.954 0.031 358 HG3 ARG 52 HG1 ARG 52 -12.793 -2.352 0.160 359 HD2 ARG 52 HD2 ARG 52 -15.193 -0.769 -0.748 360 HD3 ARG 52 HD1 ARG 52 -14.413 -0.655 0.828 361 HE ARG 52 HE ARG 52 -12.813 -0.094 -1.557 362 HH11 ARG 52 HH11 ARG 52 -14.483 1.091 1.284 363 HH12 ARG 52 HH12 ARG 52 -13.701 2.638 1.249 364 HH21 ARG 52 HH21 ARG 52 -11.789 1.940 -1.605 365 HH22 ARG 52 HH22 ARG 52 -12.155 3.118 -0.383 366 H MET 53 HN MET 53 -10.824 -4.402 -3.264 367 HA MET 53 HA MET 53 -12.090 -4.688 -5.907 368 HB2 MET 53 HB2 MET 53 -9.360 -3.631 -5.164 369 HB3 MET 53 HB1 MET 53 -9.824 -4.025 -6.811 370 HG2 MET 53 HG2 MET 53 -11.580 -2.353 -6.739 371 HG3 MET 53 HG1 MET 53 -11.175 -1.981 -5.065 372 HE1 MET 53 HE1 MET 53 -11.360 0.168 -7.489 373 HE2 MET 53 HE2 MET 53 -9.976 1.186 -7.094 374 HE3 MET 53 HE3 MET 53 -11.035 0.604 -5.812 375 H LYS 54 HN LYS 54 -11.626 -6.734 -3.858 376 HA LYS 54 HA LYS 54 -9.492 -8.379 -4.824 377 HB2 LYS 54 HB2 LYS 54 -10.333 -10.070 -3.258 378 HB3 LYS 54 HB1 LYS 54 -10.181 -8.503 -2.475 379 HG2 LYS 54 HG2 LYS 54 -12.588 -8.147 -2.718 380 HG3 LYS 54 HG1 LYS 54 -12.742 -9.734 -3.477 381 HD2 LYS 54 HD2 LYS 54 -11.906 -10.793 -1.437 382 HD3 LYS 54 HD1 LYS 54 -11.732 -9.207 -0.682 383 HE2 LYS 54 HE2 LYS 54 -14.311 -10.467 -1.614 384 HE3 LYS 54 HE1 LYS 54 -13.777 -10.302 0.057 385 HZ1 LYS 54 HZ1 LYS 54 -13.809 -7.878 -0.249 386 HZ2 LYS 54 HZ2 LYS 54 -15.335 -8.575 -0.459 387 HZ3 LYS 54 HZ3 LYS 54 -14.438 -8.089 -1.807 388 H GLU 55 HN GLU 55 -9.623 -10.226 -6.054 389 HA GLU 55 HA GLU 55 -11.856 -10.270 -7.905 390 HB2 GLU 55 HB2 GLU 55 -9.511 -10.332 -8.696 391 HB3 GLU 55 HB1 GLU 55 -9.300 -11.879 -7.892 392 HG2 GLU 55 HG2 GLU 55 -10.988 -12.870 -9.346 393 HG3 GLU 55 HG1 GLU 55 -11.206 -11.314 -10.150 394 H SER 56 HN SER 56 -13.490 -11.123 -6.582 395 HA SER 56 HA SER 56 -13.334 -14.016 -6.220 396 HB2 SER 56 HB2 SER 56 -12.713 -12.929 -4.037 397 HB3 SER 56 HB1 SER 56 -14.304 -12.174 -4.015 398 HG SER 56 HG SER 56 -13.733 -14.961 -3.990 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 17.662 -9.453 11.549 2 H2 GLY 1 HT2 GLY 1 17.486 -11.121 11.747 3 H3 GLY 1 HT3 GLY 1 16.341 -10.249 10.860 4 HA2 GLY 1 HA1 GLY 1 19.173 -10.686 10.114 5 HA3 GLY 1 HA2 GLY 1 17.778 -11.451 9.369 6 H ALA 2 HN ALA 2 18.651 -10.518 7.368 7 HA ALA 2 HA ALA 2 18.153 -7.623 7.161 8 HB1 ALA 2 HB1 ALA 2 20.464 -8.293 6.685 9 HB2 ALA 2 HB2 ALA 2 19.678 -7.612 5.260 10 HB3 ALA 2 HB3 ALA 2 19.889 -9.357 5.402 11 H MET 3 HN MET 3 16.370 -10.160 6.787 12 HA MET 3 HA MET 3 15.034 -9.090 4.427 13 HB2 MET 3 HB2 MET 3 16.099 -11.880 4.648 14 HB3 MET 3 HB1 MET 3 14.598 -11.600 3.775 15 HG2 MET 3 HG2 MET 3 17.238 -10.274 3.177 16 HG3 MET 3 HG1 MET 3 16.540 -11.627 2.286 17 HE1 MET 3 HE1 MET 3 16.878 -10.216 0.062 18 HE2 MET 3 HE2 MET 3 17.497 -8.835 0.964 19 HE3 MET 3 HE3 MET 3 16.195 -8.614 -0.205 20 H GLY 4 HN GLY 4 12.871 -10.207 4.110 21 HA2 GLY 4 HA2 GLY 4 11.222 -11.582 5.499 22 HA3 GLY 4 HA1 GLY 4 11.601 -10.409 6.758 23 H MET 5 HN MET 5 11.024 -8.209 6.431 24 HA MET 5 HA MET 5 9.093 -7.766 4.257 25 HB2 MET 5 HB2 MET 5 8.057 -7.885 6.550 26 HB3 MET 5 HB1 MET 5 9.006 -6.473 6.992 27 HG2 MET 5 HG2 MET 5 6.706 -5.890 6.407 28 HG3 MET 5 HG1 MET 5 7.873 -5.143 5.318 29 HE1 MET 5 HE1 MET 5 5.270 -8.795 4.215 30 HE2 MET 5 HE2 MET 5 5.204 -7.971 5.772 31 HE3 MET 5 HE3 MET 5 6.635 -8.901 5.327 32 H ARG 6 HN ARG 6 11.605 -7.353 3.645 33 HA ARG 6 HA ARG 6 11.977 -4.444 3.873 34 HB2 ARG 6 HB2 ARG 6 14.119 -6.561 3.626 35 HB3 ARG 6 HB1 ARG 6 14.402 -4.826 3.630 36 HG2 ARG 6 HG2 ARG 6 13.443 -4.725 5.912 37 HG3 ARG 6 HG1 ARG 6 13.316 -6.485 5.889 38 HD2 ARG 6 HD2 ARG 6 15.751 -6.622 5.511 39 HD3 ARG 6 HD1 ARG 6 15.846 -4.866 5.639 40 HE ARG 6 HE ARG 6 14.644 -6.223 7.896 41 HH11 ARG 6 HH11 ARG 6 17.570 -4.932 6.481 42 HH12 ARG 6 HH12 ARG 6 18.390 -4.778 8.003 43 HH21 ARG 6 HH21 ARG 6 15.710 -5.995 9.904 44 HH22 ARG 6 HH22 ARG 6 17.324 -5.365 9.954 45 H ASN 7 HN ASN 7 10.449 -4.754 1.954 46 HA ASN 7 HA ASN 7 12.167 -4.722 -0.438 47 HB2 ASN 7 HB2 ASN 7 10.400 -6.584 -0.350 48 HB3 ASN 7 HB1 ASN 7 9.207 -5.302 -0.521 49 HD21 ASN 7 HD21 ASN 7 9.137 -4.114 -2.491 50 HD22 ASN 7 HD22 ASN 7 9.853 -4.737 -3.935 51 H LEU 8 HN LEU 8 12.253 -2.559 0.898 52 HA LEU 8 HA LEU 8 10.172 -0.744 -0.129 53 HB2 LEU 8 HB2 LEU 8 11.905 -0.252 2.275 54 HB3 LEU 8 HB1 LEU 8 10.439 0.590 1.821 55 HG LEU 8 HG LEU 8 10.549 -2.282 2.736 56 HD11 LEU 8 HD11 LEU 8 9.744 0.213 4.224 57 HD12 LEU 8 HD12 LEU 8 11.168 -0.777 4.539 58 HD13 LEU 8 HD13 LEU 8 9.559 -1.438 4.812 59 HD21 LEU 8 HD21 LEU 8 8.118 -2.047 2.941 60 HD22 LEU 8 HD22 LEU 8 8.659 -1.827 1.278 61 HD23 LEU 8 HD23 LEU 8 8.221 -0.426 2.256 62 H ASP 9 HN ASP 9 12.954 -1.673 -1.095 63 HA ASP 9 HA ASP 9 14.469 0.812 -0.986 64 HB2 ASP 9 HB2 ASP 9 15.153 -1.873 -2.187 65 HB3 ASP 9 HB1 ASP 9 16.233 -0.483 -2.177 66 H GLU 10 HN GLU 10 12.367 -0.855 -3.085 67 HA GLU 10 HA GLU 10 13.137 0.815 -5.371 68 HB2 GLU 10 HB2 GLU 10 11.174 -1.482 -5.249 69 HB3 GLU 10 HB1 GLU 10 11.727 -0.663 -6.702 70 HG2 GLU 10 HG2 GLU 10 13.886 -1.564 -6.515 71 HG3 GLU 10 HG1 GLU 10 13.605 -2.098 -4.859 72 H CYS 11 HN CYS 11 11.105 0.871 -2.788 73 HA CYS 11 HA CYS 11 8.895 2.156 -4.218 74 HB2 CYS 11 HB2 CYS 11 8.448 0.291 -2.575 75 HB3 CYS 11 HB1 CYS 11 9.023 1.359 -1.308 76 H GLU 12 HN GLU 12 9.738 4.145 -4.626 77 HA GLU 12 HA GLU 12 11.358 5.629 -2.894 78 HB2 GLU 12 HB2 GLU 12 10.974 5.879 -5.419 79 HB3 GLU 12 HB1 GLU 12 9.561 6.829 -4.982 80 HG2 GLU 12 HG2 GLU 12 11.443 8.268 -5.460 81 HG3 GLU 12 HG1 GLU 12 10.988 8.389 -3.761 82 H VAL 13 HN VAL 13 7.902 5.382 -3.220 83 HA VAL 13 HA VAL 13 7.312 7.724 -1.730 84 HB VAL 13 HB VAL 13 5.700 6.849 -3.311 85 HG11 VAL 13 HG11 VAL 13 4.460 4.821 -2.933 86 HG12 VAL 13 HG12 VAL 13 5.381 4.501 -1.466 87 HG13 VAL 13 HG13 VAL 13 6.183 4.469 -3.037 88 HG21 VAL 13 HG21 VAL 13 3.692 6.983 -1.955 89 HG22 VAL 13 HG22 VAL 13 4.883 8.167 -1.413 90 HG23 VAL 13 HG23 VAL 13 4.639 6.676 -0.503 91 H CYS 14 HN CYS 14 7.751 4.318 -0.871 92 HA CYS 14 HA CYS 14 6.983 4.550 1.844 93 HB2 CYS 14 HB2 CYS 14 8.496 2.622 0.220 94 HB3 CYS 14 HB1 CYS 14 8.962 2.671 1.915 95 H ARG 15 HN ARG 15 9.966 5.099 0.132 96 HA ARG 15 HA ARG 15 11.629 5.606 2.361 97 HB2 ARG 15 HB2 ARG 15 12.395 5.080 0.051 98 HB3 ARG 15 HB1 ARG 15 11.848 6.667 -0.460 99 HG2 ARG 15 HG2 ARG 15 13.469 7.679 1.112 100 HG3 ARG 15 HG1 ARG 15 14.068 6.056 1.479 101 HD2 ARG 15 HD2 ARG 15 14.514 5.752 -0.952 102 HD3 ARG 15 HD1 ARG 15 14.075 7.439 -1.196 103 HE ARG 15 HE ARG 15 16.189 6.947 0.724 104 HH11 ARG 15 HH11 ARG 15 15.297 7.804 -2.550 105 HH12 ARG 15 HH12 ARG 15 16.876 8.400 -2.958 106 HH21 ARG 15 HH21 ARG 15 18.273 7.745 0.196 107 HH22 ARG 15 HH22 ARG 15 18.569 8.370 -1.396 108 H ASP 16 HN ASP 16 9.596 7.609 0.344 109 HA ASP 16 HA ASP 16 10.240 10.101 1.503 110 HB2 ASP 16 HB2 ASP 16 9.155 9.769 -0.717 111 HB3 ASP 16 HB1 ASP 16 7.686 9.270 0.106 112 H GLY 17 HN GLY 17 8.423 7.486 2.693 113 HA2 GLY 17 HA2 GLY 17 7.597 7.369 4.905 114 HA3 GLY 17 HA1 GLY 17 7.502 9.124 4.938 115 H GLY 18 HN GLY 18 6.273 7.500 2.186 116 HA2 GLY 18 HA2 GLY 18 3.691 8.565 2.394 117 HA3 GLY 18 HA1 GLY 18 4.164 7.260 1.326 118 H GLU 19 HN GLU 19 1.683 7.204 2.231 119 HA GLU 19 HA GLU 19 1.652 5.377 4.527 120 HB2 GLU 19 HB2 GLU 19 -0.476 7.188 3.385 121 HB3 GLU 19 HB1 GLU 19 -0.813 5.979 4.618 122 HG2 GLU 19 HG2 GLU 19 0.836 7.095 6.097 123 HG3 GLU 19 HG1 GLU 19 1.060 8.331 4.864 124 H LEU 20 HN LEU 20 0.134 3.611 4.471 125 HA LEU 20 HA LEU 20 -0.135 2.473 1.768 126 HB2 LEU 20 HB2 LEU 20 0.318 1.266 4.469 127 HB3 LEU 20 HB1 LEU 20 -0.418 0.311 3.202 128 HG LEU 20 HG LEU 20 2.250 1.668 2.848 129 HD11 LEU 20 HD11 LEU 20 3.261 -0.507 3.365 130 HD12 LEU 20 HD12 LEU 20 1.673 -1.131 3.813 131 HD13 LEU 20 HD13 LEU 20 2.410 0.162 4.758 132 HD21 LEU 20 HD21 LEU 20 1.122 0.994 0.800 133 HD22 LEU 20 HD22 LEU 20 0.881 -0.627 1.448 134 HD23 LEU 20 HD23 LEU 20 2.509 -0.051 1.105 135 H PHE 21 HN PHE 21 -2.134 1.997 1.005 136 HA PHE 21 HA PHE 21 -4.366 2.459 2.862 137 HB2 PHE 21 HB2 PHE 21 -4.330 2.655 -0.166 138 HB3 PHE 21 HB1 PHE 21 -5.697 3.048 0.879 139 HD1 PHE 21 HD1 PHE 21 -5.215 4.833 2.732 140 HD2 PHE 21 HD2 PHE 21 -2.883 4.365 -0.806 141 HE1 PHE 21 HE1 PHE 21 -4.359 7.113 2.992 142 HE2 PHE 21 HE2 PHE 21 -2.034 6.656 -0.544 143 HZ PHE 21 HZ PHE 21 -2.772 8.031 1.359 144 H CYS 22 HN CYS 22 -3.115 -0.039 2.871 145 HA CYS 22 HA CYS 22 -5.474 -1.620 2.384 146 HB2 CYS 22 HB2 CYS 22 -4.389 -3.327 1.050 147 HB3 CYS 22 HB1 CYS 22 -4.208 -1.767 0.246 148 H CYS 23 HN CYS 23 -4.905 -4.028 3.060 149 HA CYS 23 HA CYS 23 -4.144 -3.870 5.807 150 HB2 CYS 23 HB2 CYS 23 -4.474 -6.438 4.257 151 HB3 CYS 23 HB1 CYS 23 -4.789 -6.145 5.966 152 H ASP 24 HN ASP 24 -2.473 -5.344 6.773 153 HA ASP 24 HA ASP 24 0.069 -4.908 5.769 154 HB2 ASP 24 HB2 ASP 24 -0.917 -7.085 7.620 155 HB3 ASP 24 HB1 ASP 24 0.783 -6.779 7.298 156 H THR 25 HN THR 25 -1.863 -7.883 5.538 157 HA THR 25 HA THR 25 0.004 -9.338 4.016 158 HB THR 25 HB THR 25 -2.993 -9.696 4.107 159 HG1 THR 25 HG1 THR 25 -0.892 -10.524 5.831 160 HG21 THR 25 HG21 THR 25 -0.767 -11.635 3.468 161 HG22 THR 25 HG22 THR 25 -1.939 -10.983 2.323 162 HG23 THR 25 HG23 THR 25 -2.474 -12.052 3.620 163 H CYS 26 HN CYS 26 -2.802 -7.383 3.036 164 HA CYS 26 HA CYS 26 -2.612 -7.917 0.280 165 HB2 CYS 26 HB2 CYS 26 -3.706 -5.436 1.632 166 HB3 CYS 26 HB1 CYS 26 -4.062 -5.964 -0.013 167 H SER 27 HN SER 27 -1.086 -5.531 2.341 168 HA SER 27 HA SER 27 0.171 -4.007 0.323 169 HB2 SER 27 HB2 SER 27 -0.075 -3.203 2.626 170 HB3 SER 27 HB1 SER 27 1.015 -4.466 3.193 171 HG SER 27 HG SER 27 1.634 -2.058 2.281 172 H ARG 28 HN ARG 28 0.927 -7.094 1.713 173 HA ARG 28 HA ARG 28 3.654 -7.099 0.844 174 HB2 ARG 28 HB2 ARG 28 2.926 -8.506 2.720 175 HB3 ARG 28 HB1 ARG 28 1.860 -9.398 1.644 176 HG2 ARG 28 HG2 ARG 28 3.813 -10.153 0.365 177 HG3 ARG 28 HG1 ARG 28 4.864 -9.302 1.496 178 HD2 ARG 28 HD2 ARG 28 4.057 -10.698 3.317 179 HD3 ARG 28 HD1 ARG 28 2.960 -11.527 2.213 180 HE ARG 28 HE ARG 28 5.673 -11.648 1.332 181 HH11 ARG 28 HH11 ARG 28 3.396 -13.093 3.561 182 HH12 ARG 28 HH12 ARG 28 4.201 -14.628 3.578 183 HH21 ARG 28 HH21 ARG 28 6.734 -13.654 1.352 184 HH22 ARG 28 HH22 ARG 28 6.099 -14.952 2.313 185 H VAL 29 HN VAL 29 0.568 -8.017 -0.474 186 HA VAL 29 HA VAL 29 1.761 -9.400 -2.719 187 HB VAL 29 HB VAL 29 -1.146 -8.775 -2.184 188 HG11 VAL 29 HG11 VAL 29 0.108 -10.702 -4.135 189 HG12 VAL 29 HG12 VAL 29 -0.655 -9.170 -4.555 190 HG13 VAL 29 HG13 VAL 29 -1.619 -10.473 -3.863 191 HG21 VAL 29 HG21 VAL 29 0.470 -11.264 -1.649 192 HG22 VAL 29 HG22 VAL 29 -1.288 -11.165 -1.543 193 HG23 VAL 29 HG23 VAL 29 -0.285 -10.212 -0.451 194 H PHE 30 HN PHE 30 -0.199 -6.463 -2.203 195 HA PHE 30 HA PHE 30 0.532 -5.637 -4.943 196 HB2 PHE 30 HB2 PHE 30 -1.942 -4.860 -3.376 197 HB3 PHE 30 HB1 PHE 30 -1.545 -4.328 -5.005 198 HD1 PHE 30 HD1 PHE 30 -1.167 -6.313 -6.733 199 HD2 PHE 30 HD2 PHE 30 -3.405 -6.589 -3.118 200 HE1 PHE 30 HE1 PHE 30 -2.402 -8.231 -7.644 201 HE2 PHE 30 HE2 PHE 30 -4.636 -8.513 -4.025 202 HZ PHE 30 HZ PHE 30 -4.136 -9.337 -6.291 203 H HIS 31 HN HIS 31 2.370 -5.062 -3.117 204 HA HIS 31 HA HIS 31 2.064 -2.907 -1.413 205 HB2 HIS 31 HB2 HIS 31 4.029 -4.429 -1.514 206 HB3 HIS 31 HB1 HIS 31 4.554 -3.601 -2.976 207 HD1 HIS 31 HD1 HIS 31 3.783 -2.673 0.657 208 HD2 HIS 31 HD2 HIS 31 6.285 -1.618 -2.493 209 HE1 HIS 31 HE1 HIS 31 5.444 -0.990 1.592 210 H GLU 32 HN GLU 32 3.072 -2.860 -4.814 211 HA GLU 32 HA GLU 32 3.691 -0.102 -4.873 212 HB2 GLU 32 HB2 GLU 32 3.077 -2.089 -7.052 213 HB3 GLU 32 HB1 GLU 32 3.506 -0.417 -7.386 214 HG2 GLU 32 HG2 GLU 32 5.221 -2.375 -5.882 215 HG3 GLU 32 HG1 GLU 32 5.422 -1.936 -7.578 216 H ASP 33 HN ASP 33 0.805 -1.940 -5.584 217 HA ASP 33 HA ASP 33 -0.643 0.311 -6.619 218 HB2 ASP 33 HB2 ASP 33 -1.643 -2.400 -5.733 219 HB3 ASP 33 HB1 ASP 33 -2.583 -1.205 -6.622 220 H CYS 34 HN CYS 34 -0.091 -1.114 -3.530 221 HA CYS 34 HA CYS 34 -2.347 -0.010 -2.187 222 HB2 CYS 34 HB2 CYS 34 0.258 -1.207 -1.291 223 HB3 CYS 34 HB1 CYS 34 -0.821 -0.440 -0.128 224 H HIS 35 HN HIS 35 0.474 1.386 -3.392 225 HA HIS 35 HA HIS 35 0.289 3.674 -1.566 226 HB2 HIS 35 HB2 HIS 35 2.351 2.926 -3.642 227 HB3 HIS 35 HB1 HIS 35 2.375 4.442 -2.743 228 HD1 HIS 35 HD1 HIS 35 2.910 4.243 -0.139 229 HD2 HIS 35 HD2 HIS 35 3.218 0.709 -2.303 230 HE1 HIS 35 HE1 HIS 35 4.182 2.621 1.325 231 H ILE 36 HN ILE 36 -1.304 2.702 -4.123 232 HA ILE 36 HA ILE 36 -1.508 5.384 -5.326 233 HB ILE 36 HB ILE 36 -1.923 2.731 -6.728 234 HG12 ILE 36 HG12 ILE 36 0.305 4.760 -7.032 235 HG13 ILE 36 HG11 ILE 36 0.452 3.184 -6.265 236 HG21 ILE 36 HG21 ILE 36 -3.383 4.473 -7.589 237 HG22 ILE 36 HG22 ILE 36 -2.131 4.075 -8.766 238 HG23 ILE 36 HG23 ILE 36 -2.000 5.546 -7.804 239 HD11 ILE 36 HD11 ILE 36 1.367 3.140 -8.503 240 HD12 ILE 36 HD12 ILE 36 -0.171 3.692 -9.165 241 HD13 ILE 36 HD13 ILE 36 -0.058 2.107 -8.404 242 HA PRO 37 HA PRO 37 -2.919 6.759 -6.181 243 HB2 PRO 37 HB2 PRO 37 -4.441 8.633 -4.953 244 HB3 PRO 37 HB1 PRO 37 -5.027 7.704 -6.347 245 HG2 PRO 37 HG2 PRO 37 -5.537 7.267 -3.415 246 HG3 PRO 37 HG1 PRO 37 -6.691 7.231 -4.765 247 HD2 PRO 37 HD2 PRO 37 -5.650 4.974 -3.686 248 HD3 PRO 37 HD1 PRO 37 -6.065 5.100 -5.409 249 HA PRO 38 HA PRO 38 -0.007 7.832 -3.018 250 HB2 PRO 38 HB2 PRO 38 0.617 10.372 -3.887 251 HB3 PRO 38 HB1 PRO 38 1.313 8.889 -4.552 252 HG2 PRO 38 HG2 PRO 38 -0.937 10.566 -5.592 253 HG3 PRO 38 HG1 PRO 38 0.371 9.763 -6.485 254 HD2 PRO 38 HD2 PRO 38 -2.120 8.732 -6.391 255 HD3 PRO 38 HD1 PRO 38 -0.681 7.688 -6.406 256 H VAL 39 HN VAL 39 -0.132 8.715 -1.054 257 HA VAL 39 HA VAL 39 -2.509 9.705 -0.075 258 HB VAL 39 HB VAL 39 -0.864 8.642 1.358 259 HG11 VAL 39 HG11 VAL 39 1.092 9.915 2.186 260 HG12 VAL 39 HG12 VAL 39 0.777 11.129 0.945 261 HG13 VAL 39 HG13 VAL 39 1.197 9.481 0.482 262 HG21 VAL 39 HG21 VAL 39 -2.548 10.047 2.393 263 HG22 VAL 39 HG22 VAL 39 -1.492 11.452 2.241 264 HG23 VAL 39 HG23 VAL 39 -1.037 10.116 3.298 265 H GLU 40 HN GLU 40 -3.459 11.605 -0.023 266 HA GLU 40 HA GLU 40 -1.892 14.054 -0.302 267 HB2 GLU 40 HB2 GLU 40 -2.602 13.419 -2.580 268 HB3 GLU 40 HB1 GLU 40 -4.275 13.380 -2.044 269 HG2 GLU 40 HG2 GLU 40 -3.985 15.430 -3.152 270 HG3 GLU 40 HG1 GLU 40 -4.022 15.799 -1.430 271 H ALA 41 HN ALA 41 -5.152 12.674 0.147 272 HA ALA 41 HA ALA 41 -5.580 14.568 2.329 273 HB1 ALA 41 HB1 ALA 41 -7.577 14.204 0.097 274 HB2 ALA 41 HB2 ALA 41 -6.555 15.621 0.337 275 HB3 ALA 41 HB3 ALA 41 -7.783 15.207 1.534 276 H GLU 42 HN GLU 42 -6.924 11.829 0.516 277 HA GLU 42 HA GLU 42 -8.475 10.920 2.760 278 HB2 GLU 42 HB2 GLU 42 -7.843 9.657 0.091 279 HB3 GLU 42 HB1 GLU 42 -8.861 8.901 1.307 280 HG2 GLU 42 HG2 GLU 42 -9.399 11.580 0.053 281 HG3 GLU 42 HG1 GLU 42 -10.130 10.060 -0.462 282 H ARG 43 HN ARG 43 -6.794 10.781 4.325 283 HA ARG 43 HA ARG 43 -4.755 8.743 3.916 284 HB2 ARG 43 HB2 ARG 43 -5.205 10.444 6.365 285 HB3 ARG 43 HB1 ARG 43 -3.759 9.536 5.946 286 HG2 ARG 43 HG2 ARG 43 -3.659 11.051 3.873 287 HG3 ARG 43 HG1 ARG 43 -4.797 12.076 4.751 288 HD2 ARG 43 HD2 ARG 43 -2.055 11.223 5.666 289 HD3 ARG 43 HD1 ARG 43 -2.525 12.833 5.132 290 HE ARG 43 HE ARG 43 -3.987 12.913 7.127 291 HH11 ARG 43 HH11 ARG 43 -1.371 10.581 7.055 292 HH12 ARG 43 HH12 ARG 43 -1.155 10.587 8.780 293 HH21 ARG 43 HH21 ARG 43 -3.712 12.912 9.397 294 HH22 ARG 43 HH22 ARG 43 -2.494 11.907 10.116 295 H THR 44 HN THR 44 -6.029 6.891 3.889 296 HA THR 44 HA THR 44 -7.257 6.198 6.470 297 HB THR 44 HB THR 44 -8.930 4.857 5.202 298 HG1 THR 44 HG1 THR 44 -7.639 4.715 3.250 299 HG21 THR 44 HG21 THR 44 -10.287 6.754 4.447 300 HG22 THR 44 HG22 THR 44 -8.860 7.791 4.477 301 HG23 THR 44 HG23 THR 44 -9.492 7.117 5.978 302 HA PRO 45 HA PRO 45 -4.053 2.987 5.471 303 HB2 PRO 45 HB2 PRO 45 -3.675 2.994 8.383 304 HB3 PRO 45 HB1 PRO 45 -2.487 3.243 7.099 305 HG2 PRO 45 HG2 PRO 45 -3.295 5.253 8.700 306 HG3 PRO 45 HG1 PRO 45 -2.873 5.516 6.997 307 HD2 PRO 45 HD2 PRO 45 -5.583 5.271 8.263 308 HD3 PRO 45 HD1 PRO 45 -5.026 6.403 7.007 309 H TRP 46 HN TRP 46 -6.839 3.182 7.423 310 HA TRP 46 HA TRP 46 -6.852 0.313 7.996 311 HB2 TRP 46 HB2 TRP 46 -8.914 0.873 9.329 312 HB3 TRP 46 HB1 TRP 46 -7.454 1.689 9.883 313 HD1 TRP 46 HD1 TRP 46 -10.773 2.388 8.090 314 HE1 TRP 46 HE1 TRP 46 -11.253 4.909 8.196 315 HE3 TRP 46 HE3 TRP 46 -6.357 3.968 10.131 316 HZ2 TRP 46 HZ2 TRP 46 -9.936 7.258 9.033 317 HZ3 TRP 46 HZ3 TRP 46 -6.051 6.374 10.549 318 HH2 TRP 46 HH2 TRP 46 -7.799 7.981 10.010 319 H ASN 47 HN ASN 47 -7.641 2.213 5.496 320 HA ASN 47 HA ASN 47 -10.029 0.640 4.795 321 HB2 ASN 47 HB2 ASN 47 -10.451 3.078 4.834 322 HB3 ASN 47 HB1 ASN 47 -9.155 3.313 3.667 323 HD21 ASN 47 HD21 ASN 47 -9.465 2.616 1.507 324 HD22 ASN 47 HD22 ASN 47 -11.050 2.304 0.879 325 H CYS 48 HN CYS 48 -9.384 -1.055 3.646 326 HA CYS 48 HA CYS 48 -7.065 -0.848 1.900 327 HB2 CYS 48 HB2 CYS 48 -7.369 -2.789 3.425 328 HB3 CYS 48 HB1 CYS 48 -8.855 -3.188 2.589 329 H ILE 49 HN ILE 49 -7.277 -0.374 -0.170 330 HA ILE 49 HA ILE 49 -9.826 0.064 -1.321 331 HB ILE 49 HB ILE 49 -8.445 0.338 -3.490 332 HG12 ILE 49 HG12 ILE 49 -6.208 0.340 -1.455 333 HG13 ILE 49 HG11 ILE 49 -6.461 -0.908 -2.672 334 HG21 ILE 49 HG21 ILE 49 -9.341 2.204 -2.246 335 HG22 ILE 49 HG22 ILE 49 -7.695 2.576 -2.763 336 HG23 ILE 49 HG23 ILE 49 -8.010 2.113 -1.091 337 HD11 ILE 49 HD11 ILE 49 -4.720 0.607 -3.368 338 HD12 ILE 49 HD12 ILE 49 -5.804 1.986 -3.174 339 HD13 ILE 49 HD13 ILE 49 -6.121 0.783 -4.426 340 H PHE 50 HN PHE 50 -7.717 -2.682 -1.301 341 HA PHE 50 HA PHE 50 -8.956 -3.869 -3.638 342 HB2 PHE 50 HB2 PHE 50 -6.801 -4.848 -1.764 343 HB3 PHE 50 HB1 PHE 50 -7.487 -5.856 -3.039 344 HD1 PHE 50 HD1 PHE 50 -7.068 -5.355 -5.375 345 HD2 PHE 50 HD2 PHE 50 -5.375 -2.969 -2.282 346 HE1 PHE 50 HE1 PHE 50 -5.486 -4.401 -6.983 347 HE2 PHE 50 HE2 PHE 50 -3.793 -2.000 -3.893 348 HZ PHE 50 HZ PHE 50 -3.929 -2.610 -6.261 349 H CYS 51 HN CYS 51 -9.002 -4.247 -0.131 350 HA CYS 51 HA CYS 51 -10.719 -6.520 -0.150 351 HB2 CYS 51 HB2 CYS 51 -9.831 -4.628 2.000 352 HB3 CYS 51 HB1 CYS 51 -11.122 -5.774 2.315 353 H ARG 52 HN ARG 52 -11.351 -3.205 -0.708 354 HA ARG 52 HA ARG 52 -14.090 -3.491 0.306 355 HB2 ARG 52 HB2 ARG 52 -12.525 -0.975 -0.308 356 HB3 ARG 52 HB1 ARG 52 -14.214 -1.008 0.174 357 HG2 ARG 52 HG2 ARG 52 -11.860 -1.899 1.822 358 HG3 ARG 52 HG1 ARG 52 -12.827 -0.441 2.056 359 HD2 ARG 52 HD2 ARG 52 -13.772 -3.295 2.330 360 HD3 ARG 52 HD1 ARG 52 -13.494 -2.153 3.642 361 HE ARG 52 HE ARG 52 -15.352 -1.022 1.880 362 HH11 ARG 52 HH11 ARG 52 -15.113 -3.708 4.116 363 HH12 ARG 52 HH12 ARG 52 -16.810 -3.728 4.473 364 HH21 ARG 52 HH21 ARG 52 -17.588 -1.048 2.345 365 HH22 ARG 52 HH22 ARG 52 -18.220 -2.217 3.460 366 H MET 53 HN MET 53 -12.294 -3.731 -2.442 367 HA MET 53 HA MET 53 -14.230 -2.490 -4.220 368 HB2 MET 53 HB2 MET 53 -12.741 -2.914 -5.999 369 HB3 MET 53 HB1 MET 53 -11.715 -2.475 -4.644 370 HG2 MET 53 HG2 MET 53 -11.243 -4.847 -4.247 371 HG3 MET 53 HG1 MET 53 -12.257 -5.266 -5.625 372 HE1 MET 53 HE1 MET 53 -9.339 -6.360 -5.427 373 HE2 MET 53 HE2 MET 53 -8.728 -6.045 -7.051 374 HE3 MET 53 HE3 MET 53 -10.377 -6.631 -6.828 375 H LYS 54 HN LYS 54 -14.302 -5.130 -2.475 376 HA LYS 54 HA LYS 54 -15.007 -7.232 -4.182 377 HB2 LYS 54 HB2 LYS 54 -14.572 -7.569 -1.794 378 HB3 LYS 54 HB1 LYS 54 -15.975 -6.594 -1.382 379 HG2 LYS 54 HG2 LYS 54 -16.480 -8.936 -1.115 380 HG3 LYS 54 HG1 LYS 54 -17.433 -8.265 -2.441 381 HD2 LYS 54 HD2 LYS 54 -15.760 -9.172 -4.031 382 HD3 LYS 54 HD1 LYS 54 -14.927 -9.929 -2.675 383 HE2 LYS 54 HE2 LYS 54 -16.922 -11.239 -2.168 384 HE3 LYS 54 HE1 LYS 54 -17.780 -10.461 -3.498 385 HZ1 LYS 54 HZ1 LYS 54 -16.197 -11.427 -5.042 386 HZ2 LYS 54 HZ2 LYS 54 -16.947 -12.637 -4.129 387 HZ3 LYS 54 HZ3 LYS 54 -15.363 -12.166 -3.768 388 H GLU 55 HN GLU 55 -16.834 -7.706 -5.277 389 HA GLU 55 HA GLU 55 -19.062 -5.799 -5.028 390 HB2 GLU 55 HB2 GLU 55 -17.960 -5.628 -7.191 391 HB3 GLU 55 HB1 GLU 55 -18.145 -7.356 -7.450 392 HG2 GLU 55 HG2 GLU 55 -20.549 -7.116 -7.536 393 HG3 GLU 55 HG1 GLU 55 -20.410 -5.394 -7.182 394 H SER 56 HN SER 56 -20.939 -6.592 -4.366 395 HA SER 56 HA SER 56 -21.724 -9.296 -5.011 396 HB2 SER 56 HB2 SER 56 -20.388 -9.493 -2.884 397 HB3 SER 56 HB1 SER 56 -21.573 -8.447 -2.105 398 HG SER 56 HG SER 56 -21.989 -11.027 -3.214 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 6.487 -11.086 -4.246 2 H2 GLY 1 HT2 GLY 1 8.127 -11.005 -4.637 3 H3 GLY 1 HT3 GLY 1 7.644 -11.004 -3.018 4 HA2 GLY 1 HA1 GLY 1 6.815 -13.246 -3.210 5 HA3 GLY 1 HA2 GLY 1 7.258 -13.252 -4.910 6 H ALA 2 HN ALA 2 8.325 -15.255 -3.782 7 HA ALA 2 HA ALA 2 10.237 -16.369 -3.305 8 HB1 ALA 2 HB1 ALA 2 12.343 -15.444 -4.106 9 HB2 ALA 2 HB2 ALA 2 11.598 -13.854 -4.273 10 HB3 ALA 2 HB3 ALA 2 11.065 -15.191 -5.294 11 H MET 3 HN MET 3 9.002 -15.210 -1.147 12 HA MET 3 HA MET 3 9.282 -14.638 1.032 13 HB2 MET 3 HB2 MET 3 10.841 -16.612 0.901 14 HB3 MET 3 HB1 MET 3 12.162 -15.480 0.643 15 HG2 MET 3 HG2 MET 3 11.621 -14.435 2.832 16 HG3 MET 3 HG1 MET 3 10.416 -15.697 3.089 17 HE1 MET 3 HE1 MET 3 12.625 -18.919 3.250 18 HE2 MET 3 HE2 MET 3 11.871 -18.244 1.807 19 HE3 MET 3 HE3 MET 3 10.992 -18.262 3.336 20 H GLY 4 HN GLY 4 9.209 -12.510 -0.481 21 HA2 GLY 4 HA2 GLY 4 11.499 -10.823 -0.385 22 HA3 GLY 4 HA1 GLY 4 9.856 -10.320 -0.753 23 H MET 5 HN MET 5 12.328 -10.422 1.590 24 HA MET 5 HA MET 5 10.648 -9.743 3.831 25 HB2 MET 5 HB2 MET 5 13.658 -9.648 3.503 26 HB3 MET 5 HB1 MET 5 12.809 -9.332 5.007 27 HG2 MET 5 HG2 MET 5 11.931 -11.613 4.990 28 HG3 MET 5 HG1 MET 5 12.796 -11.938 3.494 29 HE1 MET 5 HE1 MET 5 13.061 -13.729 6.161 30 HE2 MET 5 HE2 MET 5 14.799 -14.029 6.130 31 HE3 MET 5 HE3 MET 5 13.870 -14.071 4.631 32 H ARG 6 HN ARG 6 9.543 -7.903 3.299 33 HA ARG 6 HA ARG 6 9.097 -5.715 2.945 34 HB2 ARG 6 HB2 ARG 6 11.855 -5.327 4.117 35 HB3 ARG 6 HB1 ARG 6 10.656 -4.059 3.906 36 HG2 ARG 6 HG2 ARG 6 9.161 -5.217 5.458 37 HG3 ARG 6 HG1 ARG 6 10.368 -6.486 5.667 38 HD2 ARG 6 HD2 ARG 6 11.949 -4.756 6.504 39 HD3 ARG 6 HD1 ARG 6 10.638 -3.580 6.422 40 HE ARG 6 HE ARG 6 9.914 -5.878 7.943 41 HH11 ARG 6 HH11 ARG 6 11.634 -2.831 8.106 42 HH12 ARG 6 HH12 ARG 6 11.502 -2.707 9.830 43 HH21 ARG 6 HH21 ARG 6 9.741 -5.717 10.203 44 HH22 ARG 6 HH22 ARG 6 10.406 -4.341 11.023 45 H ASN 7 HN ASN 7 9.227 -6.368 0.653 46 HA ASN 7 HA ASN 7 11.544 -5.483 -0.842 47 HB2 ASN 7 HB2 ASN 7 10.158 -7.470 -1.530 48 HB3 ASN 7 HB1 ASN 7 8.850 -6.357 -1.915 49 HD21 ASN 7 HD21 ASN 7 9.052 -5.007 -3.737 50 HD22 ASN 7 HD22 ASN 7 10.246 -5.283 -4.960 51 H LEU 8 HN LEU 8 11.427 -3.313 0.022 52 HA LEU 8 HA LEU 8 9.555 -1.636 -1.485 53 HB2 LEU 8 HB2 LEU 8 9.498 -0.116 0.533 54 HB3 LEU 8 HB1 LEU 8 8.629 -1.628 0.677 55 HG LEU 8 HG LEU 8 10.772 -2.495 1.851 56 HD11 LEU 8 HD11 LEU 8 12.043 -0.806 3.047 57 HD12 LEU 8 HD12 LEU 8 11.141 0.472 2.233 58 HD13 LEU 8 HD13 LEU 8 12.200 -0.589 1.303 59 HD21 LEU 8 HD21 LEU 8 9.948 -1.646 4.009 60 HD22 LEU 8 HD22 LEU 8 8.648 -2.226 2.968 61 HD23 LEU 8 HD23 LEU 8 8.928 -0.494 3.147 62 H ASP 9 HN ASP 9 12.396 -2.453 -1.747 63 HA ASP 9 HA ASP 9 13.939 -0.072 -1.192 64 HB2 ASP 9 HB2 ASP 9 14.643 -2.598 -2.701 65 HB3 ASP 9 HB1 ASP 9 15.774 -1.287 -2.383 66 H GLU 10 HN GLU 10 12.155 -1.444 -3.778 67 HA GLU 10 HA GLU 10 13.075 0.544 -5.699 68 HB2 GLU 10 HB2 GLU 10 11.644 -0.648 -7.285 69 HB3 GLU 10 HB1 GLU 10 12.711 -1.770 -6.452 70 HG2 GLU 10 HG2 GLU 10 10.752 -2.167 -4.862 71 HG3 GLU 10 HG1 GLU 10 9.770 -1.365 -6.081 72 H CYS 11 HN CYS 11 11.130 0.612 -3.170 73 HA CYS 11 HA CYS 11 8.926 2.066 -4.440 74 HB2 CYS 11 HB2 CYS 11 8.415 0.121 -2.957 75 HB3 CYS 11 HB1 CYS 11 9.151 0.991 -1.625 76 H GLU 12 HN GLU 12 9.891 4.051 -4.729 77 HA GLU 12 HA GLU 12 11.478 5.393 -2.838 78 HB2 GLU 12 HB2 GLU 12 11.346 5.917 -5.274 79 HB3 GLU 12 HB1 GLU 12 9.752 6.601 -4.995 80 HG2 GLU 12 HG2 GLU 12 11.357 8.371 -5.115 81 HG3 GLU 12 HG1 GLU 12 10.760 8.245 -3.461 82 H VAL 13 HN VAL 13 8.033 5.198 -3.344 83 HA VAL 13 HA VAL 13 7.357 7.480 -1.829 84 HB VAL 13 HB VAL 13 5.838 6.622 -3.501 85 HG11 VAL 13 HG11 VAL 13 4.615 4.555 -3.224 86 HG12 VAL 13 HG12 VAL 13 5.511 4.206 -1.749 87 HG13 VAL 13 HG13 VAL 13 6.348 4.252 -3.300 88 HG21 VAL 13 HG21 VAL 13 3.769 6.713 -2.277 89 HG22 VAL 13 HG22 VAL 13 4.919 7.845 -1.561 90 HG23 VAL 13 HG23 VAL 13 4.601 6.294 -0.782 91 H CYS 14 HN CYS 14 8.115 4.194 -0.971 92 HA CYS 14 HA CYS 14 6.947 4.204 1.625 93 HB2 CYS 14 HB2 CYS 14 8.739 2.478 0.118 94 HB3 CYS 14 HB1 CYS 14 9.210 2.599 1.809 95 H ARG 15 HN ARG 15 9.987 5.261 0.294 96 HA ARG 15 HA ARG 15 11.214 5.834 2.816 97 HB2 ARG 15 HB2 ARG 15 11.928 6.753 0.032 98 HB3 ARG 15 HB1 ARG 15 12.943 6.947 1.453 99 HG2 ARG 15 HG2 ARG 15 13.140 4.539 1.673 100 HG3 ARG 15 HG1 ARG 15 12.062 4.312 0.296 101 HD2 ARG 15 HD2 ARG 15 13.655 5.417 -1.161 102 HD3 ARG 15 HD1 ARG 15 14.714 5.737 0.209 103 HE ARG 15 HE ARG 15 14.431 3.033 0.231 104 HH11 ARG 15 HH11 ARG 15 15.407 5.349 -2.204 105 HH12 ARG 15 HH12 ARG 15 16.483 4.252 -3.004 106 HH21 ARG 15 HH21 ARG 15 15.850 1.586 -0.817 107 HH22 ARG 15 HH22 ARG 15 16.734 2.106 -2.216 108 H ASP 16 HN ASP 16 9.274 7.536 0.510 109 HA ASP 16 HA ASP 16 9.633 10.135 1.640 110 HB2 ASP 16 HB2 ASP 16 8.907 9.735 -0.708 111 HB3 ASP 16 HB1 ASP 16 7.380 9.105 -0.104 112 H GLY 17 HN GLY 17 8.074 7.410 2.732 113 HA2 GLY 17 HA2 GLY 17 6.891 7.148 4.715 114 HA3 GLY 17 HA1 GLY 17 6.731 8.898 4.818 115 H GLY 18 HN GLY 18 5.843 7.103 1.954 116 HA2 GLY 18 HA2 GLY 18 3.202 8.155 1.981 117 HA3 GLY 18 HA1 GLY 18 3.822 6.944 0.876 118 H GLU 19 HN GLU 19 1.481 7.451 2.964 119 HA GLU 19 HA GLU 19 1.393 5.238 4.661 120 HB2 GLU 19 HB2 GLU 19 -0.524 7.227 3.638 121 HB3 GLU 19 HB1 GLU 19 -1.241 5.703 4.131 122 HG2 GLU 19 HG2 GLU 19 -1.203 7.455 5.890 123 HG3 GLU 19 HG1 GLU 19 -0.428 5.945 6.351 124 H LEU 20 HN LEU 20 0.717 3.201 4.441 125 HA LEU 20 HA LEU 20 0.153 2.172 1.792 126 HB2 LEU 20 HB2 LEU 20 0.647 0.969 4.487 127 HB3 LEU 20 HB1 LEU 20 -0.138 0.011 3.247 128 HG LEU 20 HG LEU 20 2.524 1.343 2.780 129 HD11 LEU 20 HD11 LEU 20 2.818 -0.089 4.699 130 HD12 LEU 20 HD12 LEU 20 3.529 -0.864 3.281 131 HD13 LEU 20 HD13 LEU 20 1.964 -1.402 3.891 132 HD21 LEU 20 HD21 LEU 20 2.722 -0.432 1.077 133 HD22 LEU 20 HD22 LEU 20 1.341 0.626 0.784 134 HD23 LEU 20 HD23 LEU 20 1.094 -0.975 1.479 135 H PHE 21 HN PHE 21 -1.865 2.012 1.012 136 HA PHE 21 HA PHE 21 -4.087 2.306 2.901 137 HB2 PHE 21 HB2 PHE 21 -3.968 2.618 -0.117 138 HB3 PHE 21 HB1 PHE 21 -5.449 2.755 0.833 139 HD1 PHE 21 HD1 PHE 21 -5.664 4.591 2.519 140 HD2 PHE 21 HD2 PHE 21 -2.428 4.434 -0.256 141 HE1 PHE 21 HE1 PHE 21 -5.175 6.959 2.951 142 HE2 PHE 21 HE2 PHE 21 -1.942 6.802 0.178 143 HZ PHE 21 HZ PHE 21 -3.314 8.068 1.785 144 H CYS 22 HN CYS 22 -2.786 -0.081 2.952 145 HA CYS 22 HA CYS 22 -4.903 -1.900 2.098 146 HB2 CYS 22 HB2 CYS 22 -2.023 -1.985 1.282 147 HB3 CYS 22 HB1 CYS 22 -2.918 -3.490 1.448 148 H CYS 23 HN CYS 23 -4.712 -4.040 3.152 149 HA CYS 23 HA CYS 23 -4.005 -3.857 5.921 150 HB2 CYS 23 HB2 CYS 23 -4.567 -6.411 4.403 151 HB3 CYS 23 HB1 CYS 23 -4.815 -6.100 6.120 152 H ASP 24 HN ASP 24 -2.453 -5.509 6.923 153 HA ASP 24 HA ASP 24 0.109 -5.127 5.949 154 HB2 ASP 24 HB2 ASP 24 -0.930 -7.330 7.737 155 HB3 ASP 24 HB1 ASP 24 0.779 -7.053 7.427 156 H THR 25 HN THR 25 -1.966 -7.966 5.506 157 HA THR 25 HA THR 25 -0.148 -9.399 3.887 158 HB THR 25 HB THR 25 -3.154 -9.639 4.024 159 HG1 THR 25 HG1 THR 25 -2.827 -10.856 5.773 160 HG21 THR 25 HG21 THR 25 -1.056 -11.597 3.076 161 HG22 THR 25 HG22 THR 25 -2.226 -10.761 2.058 162 HG23 THR 25 HG23 THR 25 -2.777 -11.943 3.246 163 H CYS 26 HN CYS 26 -2.927 -7.319 3.073 164 HA CYS 26 HA CYS 26 -2.807 -7.680 0.293 165 HB2 CYS 26 HB2 CYS 26 -3.793 -5.261 1.830 166 HB3 CYS 26 HB1 CYS 26 -4.172 -5.629 0.150 167 H SER 27 HN SER 27 -1.229 -5.358 2.414 168 HA SER 27 HA SER 27 -0.029 -3.779 0.404 169 HB2 SER 27 HB2 SER 27 0.843 -4.230 3.265 170 HB3 SER 27 HB1 SER 27 1.427 -2.945 2.211 171 HG SER 27 HG SER 27 -0.434 -2.555 3.756 172 H ARG 28 HN ARG 28 0.848 -6.869 1.713 173 HA ARG 28 HA ARG 28 3.580 -6.649 0.788 174 HB2 ARG 28 HB2 ARG 28 2.030 -8.902 2.056 175 HB3 ARG 28 HB1 ARG 28 3.684 -9.087 1.488 176 HG2 ARG 28 HG2 ARG 28 4.425 -7.358 3.034 177 HG3 ARG 28 HG1 ARG 28 2.765 -7.125 3.585 178 HD2 ARG 28 HD2 ARG 28 3.975 -8.502 5.164 179 HD3 ARG 28 HD1 ARG 28 2.728 -9.462 4.373 180 HE ARG 28 HE ARG 28 4.714 -10.153 2.860 181 HH11 ARG 28 HH11 ARG 28 4.859 -9.557 6.309 182 HH12 ARG 28 HH12 ARG 28 6.173 -10.660 6.568 183 HH21 ARG 28 HH21 ARG 28 6.451 -11.600 3.205 184 HH22 ARG 28 HH22 ARG 28 7.083 -11.810 4.807 185 H VAL 29 HN VAL 29 0.547 -7.670 -0.451 186 HA VAL 29 HA VAL 29 1.786 -9.201 -2.591 187 HB VAL 29 HB VAL 29 -1.140 -8.633 -2.087 188 HG11 VAL 29 HG11 VAL 29 -1.559 -10.443 -3.675 189 HG12 VAL 29 HG12 VAL 29 0.174 -10.599 -3.963 190 HG13 VAL 29 HG13 VAL 29 -0.669 -9.124 -4.437 191 HG21 VAL 29 HG21 VAL 29 0.527 -11.065 -1.459 192 HG22 VAL 29 HG22 VAL 29 -1.229 -10.974 -1.321 193 HG23 VAL 29 HG23 VAL 29 -0.212 -9.963 -0.295 194 H PHE 30 HN PHE 30 -0.275 -6.306 -2.223 195 HA PHE 30 HA PHE 30 0.401 -5.592 -5.009 196 HB2 PHE 30 HB2 PHE 30 -1.906 -4.524 -3.359 197 HB3 PHE 30 HB1 PHE 30 -1.627 -4.270 -5.077 198 HD1 PHE 30 HD1 PHE 30 -1.614 -6.402 -6.555 199 HD2 PHE 30 HD2 PHE 30 -3.333 -6.218 -2.662 200 HE1 PHE 30 HE1 PHE 30 -3.004 -8.357 -7.080 201 HE2 PHE 30 HE2 PHE 30 -4.723 -8.177 -3.182 202 HZ PHE 30 HZ PHE 30 -4.599 -9.236 -5.347 203 H HIS 31 HN HIS 31 2.331 -5.065 -3.212 204 HA HIS 31 HA HIS 31 2.157 -2.939 -1.487 205 HB2 HIS 31 HB2 HIS 31 4.048 -4.532 -1.662 206 HB3 HIS 31 HB1 HIS 31 4.574 -3.710 -3.125 207 HD1 HIS 31 HD1 HIS 31 4.053 -2.915 0.574 208 HD2 HIS 31 HD2 HIS 31 6.330 -1.719 -2.691 209 HE1 HIS 31 HE1 HIS 31 5.779 -1.286 1.465 210 H GLU 32 HN GLU 32 3.100 -2.784 -4.918 211 HA GLU 32 HA GLU 32 3.854 -0.034 -4.780 212 HB2 GLU 32 HB2 GLU 32 3.217 -1.794 -7.152 213 HB3 GLU 32 HB1 GLU 32 3.897 -0.179 -7.265 214 HG2 GLU 32 HG2 GLU 32 5.892 -0.902 -6.103 215 HG3 GLU 32 HG1 GLU 32 5.209 -2.513 -5.887 216 H ASP 33 HN ASP 33 0.969 -1.764 -5.694 217 HA ASP 33 HA ASP 33 -0.390 0.543 -6.733 218 HB2 ASP 33 HB2 ASP 33 -1.416 -2.212 -6.008 219 HB3 ASP 33 HB1 ASP 33 -2.353 -0.982 -6.850 220 H CYS 34 HN CYS 34 0.012 -0.978 -3.676 221 HA CYS 34 HA CYS 34 -2.334 0.158 -2.454 222 HB2 CYS 34 HB2 CYS 34 0.029 -1.398 -1.415 223 HB3 CYS 34 HB1 CYS 34 -1.184 -0.719 -0.329 224 H HIS 35 HN HIS 35 0.515 1.504 -3.390 225 HA HIS 35 HA HIS 35 0.525 3.489 -1.226 226 HB2 HIS 35 HB2 HIS 35 2.459 2.877 -3.449 227 HB3 HIS 35 HB1 HIS 35 2.562 4.365 -2.508 228 HD1 HIS 35 HD1 HIS 35 3.155 4.061 0.086 229 HD2 HIS 35 HD2 HIS 35 3.375 0.627 -2.238 230 HE1 HIS 35 HE1 HIS 35 4.478 2.377 1.430 231 H ILE 36 HN ILE 36 -1.230 3.022 -3.829 232 HA ILE 36 HA ILE 36 -1.236 5.852 -4.658 233 HB ILE 36 HB ILE 36 -2.054 3.461 -6.325 234 HG12 ILE 36 HG12 ILE 36 0.440 5.170 -6.499 235 HG13 ILE 36 HG11 ILE 36 0.377 3.512 -5.915 236 HG21 ILE 36 HG21 ILE 36 -1.704 6.358 -7.088 237 HG22 ILE 36 HG22 ILE 36 -3.244 5.523 -6.888 238 HG23 ILE 36 HG23 ILE 36 -2.141 5.043 -8.178 239 HD11 ILE 36 HD11 ILE 36 -0.355 2.775 -8.137 240 HD12 ILE 36 HD12 ILE 36 1.211 3.585 -8.180 241 HD13 ILE 36 HD13 ILE 36 -0.240 4.438 -8.711 242 HA PRO 37 HA PRO 37 -2.548 7.371 -5.492 243 HB2 PRO 37 HB2 PRO 37 -4.198 9.068 -3.767 244 HB3 PRO 37 HB1 PRO 37 -4.155 8.993 -5.535 245 HG2 PRO 37 HG2 PRO 37 -6.275 8.121 -4.107 246 HG3 PRO 37 HG1 PRO 37 -5.780 7.357 -5.634 247 HD2 PRO 37 HD2 PRO 37 -5.227 6.480 -2.810 248 HD3 PRO 37 HD1 PRO 37 -5.760 5.507 -4.204 249 HA PRO 38 HA PRO 38 0.495 8.340 -2.386 250 HB2 PRO 38 HB2 PRO 38 0.359 11.103 -3.487 251 HB3 PRO 38 HB1 PRO 38 1.762 10.054 -3.248 252 HG2 PRO 38 HG2 PRO 38 0.756 10.460 -5.695 253 HG3 PRO 38 HG1 PRO 38 1.389 8.875 -5.206 254 HD2 PRO 38 HD2 PRO 38 -1.451 9.773 -5.502 255 HD3 PRO 38 HD1 PRO 38 -0.727 8.182 -5.828 256 H VAL 39 HN VAL 39 0.287 8.933 -0.311 257 HA VAL 39 HA VAL 39 -2.187 9.831 0.633 258 HB VAL 39 HB VAL 39 -0.820 8.376 1.972 259 HG11 VAL 39 HG11 VAL 39 1.109 10.674 2.125 260 HG12 VAL 39 HG12 VAL 39 1.394 9.078 1.436 261 HG13 VAL 39 HG13 VAL 39 1.173 9.259 3.174 262 HG21 VAL 39 HG21 VAL 39 -1.203 11.037 3.324 263 HG22 VAL 39 HG22 VAL 39 -1.029 9.478 4.131 264 HG23 VAL 39 HG23 VAL 39 -2.435 9.793 3.113 265 H GLU 40 HN GLU 40 -3.003 11.758 0.578 266 HA GLU 40 HA GLU 40 -1.268 14.075 1.102 267 HB2 GLU 40 HB2 GLU 40 -3.583 13.876 -0.830 268 HB3 GLU 40 HB1 GLU 40 -2.860 15.397 -0.333 269 HG2 GLU 40 HG2 GLU 40 -1.460 13.168 -1.791 270 HG3 GLU 40 HG1 GLU 40 -2.029 14.676 -2.500 271 H ALA 41 HN ALA 41 -1.756 14.162 3.256 272 HA ALA 41 HA ALA 41 -2.807 14.959 5.085 273 HB1 ALA 41 HB1 ALA 41 -4.787 16.303 4.916 274 HB2 ALA 41 HB2 ALA 41 -5.101 15.697 3.289 275 HB3 ALA 41 HB3 ALA 41 -3.689 16.709 3.596 276 H GLU 42 HN GLU 42 -4.351 12.629 3.091 277 HA GLU 42 HA GLU 42 -6.120 11.797 5.271 278 HB2 GLU 42 HB2 GLU 42 -5.961 10.722 2.451 279 HB3 GLU 42 HB1 GLU 42 -7.204 10.364 3.640 280 HG2 GLU 42 HG2 GLU 42 -8.008 12.618 3.567 281 HG3 GLU 42 HG1 GLU 42 -6.673 13.105 2.521 282 H ARG 43 HN ARG 43 -4.158 11.161 6.481 283 HA ARG 43 HA ARG 43 -2.660 8.910 5.456 284 HB2 ARG 43 HB2 ARG 43 -2.538 10.192 8.187 285 HB3 ARG 43 HB1 ARG 43 -1.385 9.045 7.523 286 HG2 ARG 43 HG2 ARG 43 -1.090 10.820 5.651 287 HG3 ARG 43 HG1 ARG 43 -1.803 11.918 6.837 288 HD2 ARG 43 HD2 ARG 43 -0.078 11.175 8.464 289 HD3 ARG 43 HD1 ARG 43 0.669 10.230 7.179 290 HE ARG 43 HE ARG 43 0.568 13.158 7.353 291 HH11 ARG 43 HH11 ARG 43 1.713 10.269 5.705 292 HH12 ARG 43 HH12 ARG 43 3.011 11.113 4.907 293 HH21 ARG 43 HH21 ARG 43 2.264 14.239 6.298 294 HH22 ARG 43 HH22 ARG 43 3.317 13.361 5.234 295 H THR 44 HN THR 44 -4.596 7.598 5.246 296 HA THR 44 HA THR 44 -5.456 6.416 7.795 297 HB THR 44 HB THR 44 -7.422 5.566 6.477 298 HG1 THR 44 HG1 THR 44 -6.328 5.852 4.393 299 HG21 THR 44 HG21 THR 44 -7.608 7.575 7.860 300 HG22 THR 44 HG22 THR 44 -8.584 7.727 6.399 301 HG23 THR 44 HG23 THR 44 -7.034 8.562 6.516 302 HA PRO 45 HA PRO 45 -3.016 2.999 5.893 303 HB2 PRO 45 HB2 PRO 45 -2.455 2.268 8.664 304 HB3 PRO 45 HB1 PRO 45 -1.321 2.692 7.376 305 HG2 PRO 45 HG2 PRO 45 -1.768 4.296 9.515 306 HG3 PRO 45 HG1 PRO 45 -1.348 4.930 7.912 307 HD2 PRO 45 HD2 PRO 45 -4.037 4.747 9.236 308 HD3 PRO 45 HD1 PRO 45 -3.342 6.079 8.280 309 H TRP 46 HN TRP 46 -5.641 3.296 7.977 310 HA TRP 46 HA TRP 46 -6.224 0.425 8.002 311 HB2 TRP 46 HB2 TRP 46 -8.201 1.328 9.479 312 HB3 TRP 46 HB1 TRP 46 -6.581 1.227 10.166 313 HD1 TRP 46 HD1 TRP 46 -9.061 3.830 8.765 314 HE1 TRP 46 HE1 TRP 46 -8.422 6.144 9.696 315 HE3 TRP 46 HE3 TRP 46 -4.720 2.573 11.173 316 HZ2 TRP 46 HZ2 TRP 46 -6.359 7.280 11.240 317 HZ3 TRP 46 HZ3 TRP 46 -3.477 4.340 12.352 318 HH2 TRP 46 HH2 TRP 46 -4.278 6.640 12.381 319 H ASN 47 HN ASN 47 -6.336 1.958 5.588 320 HA ASN 47 HA ASN 47 -9.186 1.623 4.931 321 HB2 ASN 47 HB2 ASN 47 -8.711 4.044 5.051 322 HB3 ASN 47 HB1 ASN 47 -7.367 3.841 3.934 323 HD21 ASN 47 HD21 ASN 47 -10.548 2.319 3.751 324 HD22 ASN 47 HD22 ASN 47 -11.015 3.061 2.258 325 H CYS 48 HN CYS 48 -8.943 -0.336 3.862 326 HA CYS 48 HA CYS 48 -6.711 -0.597 1.994 327 HB2 CYS 48 HB2 CYS 48 -7.198 -2.433 3.633 328 HB3 CYS 48 HB1 CYS 48 -8.751 -2.671 2.844 329 H ILE 49 HN ILE 49 -6.994 -0.213 -0.075 330 HA ILE 49 HA ILE 49 -9.620 0.332 -1.104 331 HB ILE 49 HB ILE 49 -8.271 0.670 -3.296 332 HG12 ILE 49 HG12 ILE 49 -6.030 0.713 -1.267 333 HG13 ILE 49 HG11 ILE 49 -6.240 -0.512 -2.515 334 HG21 ILE 49 HG21 ILE 49 -7.585 2.922 -2.544 335 HG22 ILE 49 HG22 ILE 49 -7.886 2.428 -0.878 336 HG23 ILE 49 HG23 ILE 49 -9.218 2.493 -2.032 337 HD11 ILE 49 HD11 ILE 49 -5.699 2.415 -2.947 338 HD12 ILE 49 HD12 ILE 49 -5.950 1.225 -4.223 339 HD13 ILE 49 HD13 ILE 49 -4.552 1.093 -3.156 340 H PHE 50 HN PHE 50 -7.488 -2.390 -1.145 341 HA PHE 50 HA PHE 50 -8.651 -3.498 -3.560 342 HB2 PHE 50 HB2 PHE 50 -6.492 -4.466 -1.694 343 HB3 PHE 50 HB1 PHE 50 -7.201 -5.531 -2.912 344 HD1 PHE 50 HD2 PHE 50 -5.324 -2.401 -2.407 345 HD2 PHE 50 HD1 PHE 50 -6.655 -5.317 -5.201 346 HE1 PHE 50 HE2 PHE 50 -3.865 -1.416 -4.117 347 HE2 PHE 50 HE1 PHE 50 -5.198 -4.341 -6.924 348 HZ PHE 50 HZ PHE 50 -3.800 -2.384 -6.385 349 H CYS 51 HN CYS 51 -8.848 -3.939 -0.092 350 HA CYS 51 HA CYS 51 -10.435 -6.270 -0.135 351 HB2 CYS 51 HB2 CYS 51 -9.806 -4.223 1.939 352 HB3 CYS 51 HB1 CYS 51 -11.176 -5.292 2.216 353 H ARG 52 HN ARG 52 -11.260 -3.059 -1.005 354 HA ARG 52 HA ARG 52 -14.060 -3.542 -0.291 355 HB2 ARG 52 HB2 ARG 52 -12.651 -0.944 -0.940 356 HB3 ARG 52 HB1 ARG 52 -14.377 -1.098 -0.639 357 HG2 ARG 52 HG2 ARG 52 -13.880 -1.931 1.629 358 HG3 ARG 52 HG1 ARG 52 -12.161 -1.684 1.313 359 HD2 ARG 52 HD2 ARG 52 -12.519 0.695 1.048 360 HD3 ARG 52 HD1 ARG 52 -14.261 0.483 1.238 361 HE ARG 52 HE ARG 52 -12.883 -0.572 3.471 362 HH11 ARG 52 HH11 ARG 52 -13.768 2.491 2.034 363 HH12 ARG 52 HH12 ARG 52 -13.860 3.317 3.555 364 HH21 ARG 52 HH21 ARG 52 -12.991 0.512 5.466 365 HH22 ARG 52 HH22 ARG 52 -13.415 2.193 5.508 366 H MET 53 HN MET 53 -12.055 -4.071 -2.731 367 HA MET 53 HA MET 53 -14.145 -3.580 -4.746 368 HB2 MET 53 HB2 MET 53 -11.151 -3.478 -5.133 369 HB3 MET 53 HB1 MET 53 -12.324 -3.423 -6.440 370 HG2 MET 53 HG2 MET 53 -13.237 -1.352 -5.549 371 HG3 MET 53 HG1 MET 53 -12.084 -1.414 -4.218 372 HE1 MET 53 HE1 MET 53 -11.496 -2.316 -8.029 373 HE2 MET 53 HE2 MET 53 -10.937 -0.760 -8.643 374 HE3 MET 53 HE3 MET 53 -12.592 -0.936 -8.061 375 H LYS 54 HN LYS 54 -12.374 -5.805 -3.056 376 HA LYS 54 HA LYS 54 -11.894 -7.869 -4.868 377 HB2 LYS 54 HB2 LYS 54 -11.015 -7.859 -2.576 378 HB3 LYS 54 HB1 LYS 54 -12.643 -8.027 -1.940 379 HG2 LYS 54 HG2 LYS 54 -11.572 -10.150 -1.831 380 HG3 LYS 54 HG1 LYS 54 -12.803 -10.226 -3.093 381 HD2 LYS 54 HD2 LYS 54 -11.086 -9.893 -4.797 382 HD3 LYS 54 HD1 LYS 54 -9.851 -9.793 -3.541 383 HE2 LYS 54 HE2 LYS 54 -10.436 -12.088 -2.838 384 HE3 LYS 54 HE1 LYS 54 -11.589 -12.175 -4.166 385 HZ1 LYS 54 HZ1 LYS 54 -8.658 -11.801 -4.446 386 HZ2 LYS 54 HZ2 LYS 54 -9.765 -11.876 -5.721 387 HZ3 LYS 54 HZ3 LYS 54 -9.509 -13.231 -4.747 388 H GLU 55 HN GLU 55 -14.603 -7.762 -2.549 389 HA GLU 55 HA GLU 55 -16.429 -8.619 -4.630 390 HB2 GLU 55 HB2 GLU 55 -17.298 -10.460 -3.152 391 HB3 GLU 55 HB1 GLU 55 -15.722 -10.751 -3.867 392 HG2 GLU 55 HG2 GLU 55 -14.632 -10.209 -1.787 393 HG3 GLU 55 HG1 GLU 55 -16.178 -9.781 -1.057 394 H SER 56 HN SER 56 -16.776 -6.268 -3.948 395 HA SER 56 HA SER 56 -18.985 -6.252 -2.052 396 HB2 SER 56 HB2 SER 56 -16.807 -5.592 -0.876 397 HB3 SER 56 HB1 SER 56 -16.833 -4.141 -1.875 398 HG SER 56 HG SER 56 -19.010 -3.801 -0.985 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 10.997 -7.626 14.745 2 H2 GLY 1 HT2 GLY 1 9.950 -8.069 13.496 3 H3 GLY 1 HT3 GLY 1 9.405 -7.053 14.733 4 HA2 GLY 1 HA1 GLY 1 9.824 -5.761 12.764 5 HA3 GLY 1 HA2 GLY 1 10.958 -5.336 14.037 6 H ALA 2 HN ALA 2 10.788 -5.713 10.873 7 HA ALA 2 HA ALA 2 12.257 -6.035 9.179 8 HB1 ALA 2 HB1 ALA 2 13.527 -4.343 10.388 9 HB2 ALA 2 HB2 ALA 2 14.608 -5.506 9.620 10 HB3 ALA 2 HB3 ALA 2 14.302 -5.598 11.353 11 H MET 3 HN MET 3 11.255 -8.393 10.071 12 HA MET 3 HA MET 3 13.513 -10.178 9.527 13 HB2 MET 3 HB2 MET 3 11.491 -10.594 11.739 14 HB3 MET 3 HB1 MET 3 12.529 -11.869 11.120 15 HG2 MET 3 HG2 MET 3 14.501 -10.511 11.762 16 HG3 MET 3 HG1 MET 3 13.409 -9.337 12.492 17 HE1 MET 3 HE1 MET 3 13.134 -13.292 12.475 18 HE2 MET 3 HE2 MET 3 13.991 -13.668 13.967 19 HE3 MET 3 HE3 MET 3 14.857 -12.944 12.612 20 H GLY 4 HN GLY 4 11.663 -9.168 7.739 21 HA2 GLY 4 HA2 GLY 4 10.380 -11.658 6.888 22 HA3 GLY 4 HA1 GLY 4 9.366 -10.229 7.044 23 H MET 5 HN MET 5 8.869 -9.891 4.918 24 HA MET 5 HA MET 5 11.148 -9.254 3.166 25 HB2 MET 5 HB2 MET 5 8.506 -10.512 2.406 26 HB3 MET 5 HB1 MET 5 9.671 -9.898 1.242 27 HG2 MET 5 HG2 MET 5 11.331 -11.506 2.115 28 HG3 MET 5 HG1 MET 5 10.095 -12.158 3.186 29 HE1 MET 5 HE1 MET 5 7.852 -13.329 2.291 30 HE2 MET 5 HE2 MET 5 7.507 -13.597 0.584 31 HE3 MET 5 HE3 MET 5 7.506 -11.959 1.235 32 H ARG 6 HN ARG 6 10.856 -7.115 4.162 33 HA ARG 6 HA ARG 6 8.597 -5.643 2.998 34 HB2 ARG 6 HB2 ARG 6 10.542 -4.765 5.145 35 HB3 ARG 6 HB1 ARG 6 9.193 -3.817 4.539 36 HG2 ARG 6 HG2 ARG 6 7.665 -5.621 5.352 37 HG3 ARG 6 HG1 ARG 6 9.064 -6.376 6.118 38 HD2 ARG 6 HD2 ARG 6 7.918 -5.046 7.760 39 HD3 ARG 6 HD1 ARG 6 9.448 -4.261 7.367 40 HE ARG 6 HE ARG 6 7.195 -3.312 5.836 41 HH11 ARG 6 HH11 ARG 6 9.059 -2.899 8.778 42 HH12 ARG 6 HH12 ARG 6 8.573 -1.249 8.997 43 HH21 ARG 6 HH21 ARG 6 6.547 -1.152 6.142 44 HH22 ARG 6 HH22 ARG 6 7.155 -0.251 7.495 45 H ASN 7 HN ASN 7 9.605 -5.814 0.905 46 HA ASN 7 HA ASN 7 12.152 -4.494 0.511 47 HB2 ASN 7 HB2 ASN 7 11.429 -6.531 -0.813 48 HB3 ASN 7 HB1 ASN 7 10.272 -5.488 -1.635 49 HD21 ASN 7 HD21 ASN 7 12.539 -6.958 -2.755 50 HD22 ASN 7 HD22 ASN 7 13.551 -5.775 -3.507 51 H LEU 8 HN LEU 8 11.170 -2.535 1.506 52 HA LEU 8 HA LEU 8 9.664 -0.952 -0.425 53 HB2 LEU 8 HB2 LEU 8 9.474 0.711 1.420 54 HB3 LEU 8 HB1 LEU 8 8.749 -0.842 1.774 55 HG LEU 8 HG LEU 8 11.021 -1.326 2.980 56 HD11 LEU 8 HD11 LEU 8 10.965 1.686 3.060 57 HD12 LEU 8 HD12 LEU 8 12.156 0.704 2.208 58 HD13 LEU 8 HD13 LEU 8 12.049 0.633 3.967 59 HD21 LEU 8 HD21 LEU 8 8.896 0.507 4.070 60 HD22 LEU 8 HD22 LEU 8 10.081 -0.354 5.047 61 HD23 LEU 8 HD23 LEU 8 8.895 -1.256 4.105 62 H ASP 9 HN ASP 9 12.599 -1.802 -0.297 63 HA ASP 9 HA ASP 9 14.117 0.615 -0.158 64 HB2 ASP 9 HB2 ASP 9 15.073 -1.670 0.216 65 HB3 ASP 9 HB1 ASP 9 14.862 -1.994 -1.499 66 H GLU 10 HN GLU 10 12.515 -1.226 -2.648 67 HA GLU 10 HA GLU 10 13.348 0.652 -4.718 68 HB2 GLU 10 HB2 GLU 10 11.776 -1.919 -4.790 69 HB3 GLU 10 HB1 GLU 10 11.917 -0.862 -6.188 70 HG2 GLU 10 HG2 GLU 10 14.199 -2.163 -4.726 71 HG3 GLU 10 HG1 GLU 10 13.522 -2.688 -6.269 72 H CYS 11 HN CYS 11 11.246 0.824 -2.361 73 HA CYS 11 HA CYS 11 9.026 1.889 -3.957 74 HB2 CYS 11 HB2 CYS 11 8.561 0.156 -2.193 75 HB3 CYS 11 HB1 CYS 11 9.112 1.308 -0.992 76 H GLU 12 HN GLU 12 9.867 3.855 -4.510 77 HA GLU 12 HA GLU 12 11.350 5.537 -2.823 78 HB2 GLU 12 HB2 GLU 12 11.330 5.679 -5.291 79 HB3 GLU 12 HB1 GLU 12 9.673 6.264 -5.226 80 HG2 GLU 12 HG2 GLU 12 10.441 8.225 -3.963 81 HG3 GLU 12 HG1 GLU 12 12.100 7.648 -4.114 82 H VAL 13 HN VAL 13 7.929 5.113 -3.297 83 HA VAL 13 HA VAL 13 7.187 7.547 -2.058 84 HB VAL 13 HB VAL 13 5.621 6.550 -3.547 85 HG11 VAL 13 HG11 VAL 13 6.268 4.235 -3.347 86 HG12 VAL 13 HG12 VAL 13 4.533 4.410 -3.099 87 HG13 VAL 13 HG13 VAL 13 5.599 4.167 -1.717 88 HG21 VAL 13 HG21 VAL 13 3.619 6.617 -2.252 89 HG22 VAL 13 HG22 VAL 13 4.755 7.765 -1.543 90 HG23 VAL 13 HG23 VAL 13 4.495 6.195 -0.783 91 H CYS 14 HN CYS 14 7.665 4.237 -0.859 92 HA CYS 14 HA CYS 14 6.970 4.762 1.831 93 HB2 CYS 14 HB2 CYS 14 8.549 2.705 0.425 94 HB3 CYS 14 HB1 CYS 14 8.986 2.964 2.107 95 H ARG 15 HN ARG 15 9.797 5.376 -0.064 96 HA ARG 15 HA ARG 15 11.581 6.073 2.017 97 HB2 ARG 15 HB2 ARG 15 12.203 5.487 -0.318 98 HB3 ARG 15 HB1 ARG 15 11.515 7.009 -0.853 99 HG2 ARG 15 HG2 ARG 15 13.178 8.221 0.437 100 HG3 ARG 15 HG1 ARG 15 13.868 6.692 0.990 101 HD2 ARG 15 HD2 ARG 15 13.732 7.722 -1.838 102 HD3 ARG 15 HD1 ARG 15 15.180 7.486 -0.860 103 HE ARG 15 HE ARG 15 14.163 5.009 -0.924 104 HH11 ARG 15 HH11 ARG 15 14.764 7.327 -3.470 105 HH12 ARG 15 HH12 ARG 15 14.962 6.117 -4.697 106 HH21 ARG 15 HH21 ARG 15 14.429 3.408 -2.532 107 HH22 ARG 15 HH22 ARG 15 14.761 3.890 -4.169 108 H ASP 16 HN ASP 16 9.349 7.908 0.008 109 HA ASP 16 HA ASP 16 9.841 10.404 1.314 110 HB2 ASP 16 HB2 ASP 16 7.743 9.438 -0.610 111 HB3 ASP 16 HB1 ASP 16 7.629 11.029 0.133 112 H GLY 17 HN GLY 17 8.547 7.748 2.596 113 HA2 GLY 17 HA2 GLY 17 7.424 7.474 4.601 114 HA3 GLY 17 HA1 GLY 17 7.234 9.221 4.685 115 H GLY 18 HN GLY 18 6.197 7.478 1.883 116 HA2 GLY 18 HA2 GLY 18 3.563 8.435 1.963 117 HA3 GLY 18 HA1 GLY 18 4.133 7.108 0.967 118 H GLU 19 HN GLU 19 1.593 7.332 2.209 119 HA GLU 19 HA GLU 19 1.689 5.509 4.491 120 HB2 GLU 19 HB2 GLU 19 -0.537 7.189 3.331 121 HB3 GLU 19 HB1 GLU 19 -0.722 6.137 4.729 122 HG2 GLU 19 HG2 GLU 19 0.972 7.463 5.927 123 HG3 GLU 19 HG1 GLU 19 1.119 8.518 4.523 124 H LEU 20 HN LEU 20 0.226 3.716 4.596 125 HA LEU 20 HA LEU 20 -0.269 2.506 1.965 126 HB2 LEU 20 HB2 LEU 20 0.375 1.363 4.657 127 HB3 LEU 20 HB1 LEU 20 -0.466 0.388 3.471 128 HG LEU 20 HG LEU 20 2.193 1.693 2.907 129 HD11 LEU 20 HD11 LEU 20 2.424 0.185 4.820 130 HD12 LEU 20 HD12 LEU 20 3.203 -0.477 3.382 131 HD13 LEU 20 HD13 LEU 20 1.636 -1.100 3.902 132 HD21 LEU 20 HD21 LEU 20 0.931 1.042 0.935 133 HD22 LEU 20 HD22 LEU 20 0.673 -0.568 1.605 134 HD23 LEU 20 HD23 LEU 20 2.297 -0.050 1.163 135 H PHE 21 HN PHE 21 -2.295 2.070 1.363 136 HA PHE 21 HA PHE 21 -4.407 2.341 3.399 137 HB2 PHE 21 HB2 PHE 21 -4.588 2.776 0.402 138 HB3 PHE 21 HB1 PHE 21 -5.913 2.989 1.551 139 HD1 PHE 21 HD1 PHE 21 -5.583 4.729 3.408 140 HD2 PHE 21 HD2 PHE 21 -3.145 4.532 -0.081 141 HE1 PHE 21 HE1 PHE 21 -4.853 7.040 3.791 142 HE2 PHE 21 HE2 PHE 21 -2.414 6.846 0.299 143 HZ PHE 21 HZ PHE 21 -3.267 8.102 2.240 144 H CYS 22 HN CYS 22 -2.940 -0.005 3.032 145 HA CYS 22 HA CYS 22 -5.040 -1.825 2.103 146 HB2 CYS 22 HB2 CYS 22 -2.096 -1.907 1.472 147 HB3 CYS 22 HB1 CYS 22 -3.092 -3.359 1.400 148 H CYS 23 HN CYS 23 -5.077 -3.844 3.154 149 HA CYS 23 HA CYS 23 -4.144 -3.811 5.876 150 HB2 CYS 23 HB2 CYS 23 -5.356 -5.863 6.152 151 HB3 CYS 23 HB1 CYS 23 -6.344 -4.854 5.098 152 H ASP 24 HN ASP 24 -2.915 -5.851 6.674 153 HA ASP 24 HA ASP 24 -0.375 -5.741 5.564 154 HB2 ASP 24 HB2 ASP 24 -1.626 -7.837 7.333 155 HB3 ASP 24 HB1 ASP 24 0.069 -7.881 6.860 156 H THR 25 HN THR 25 -2.930 -8.116 4.967 157 HA THR 25 HA THR 25 -1.407 -9.939 3.497 158 HB THR 25 HB THR 25 -4.336 -9.364 3.077 159 HG1 THR 25 HG1 THR 25 -3.084 -10.980 5.073 160 HG21 THR 25 HG21 THR 25 -3.306 -10.953 1.506 161 HG22 THR 25 HG22 THR 25 -4.460 -11.750 2.574 162 HG23 THR 25 HG23 THR 25 -2.731 -11.915 2.868 163 H CYS 26 HN CYS 26 -3.515 -7.292 2.310 164 HA CYS 26 HA CYS 26 -2.876 -7.815 -0.419 165 HB2 CYS 26 HB2 CYS 26 -4.071 -5.323 0.800 166 HB3 CYS 26 HB1 CYS 26 -4.035 -5.701 -0.913 167 H SER 27 HN SER 27 -1.533 -5.680 2.037 168 HA SER 27 HA SER 27 -0.095 -4.001 0.267 169 HB2 SER 27 HB2 SER 27 -0.590 -3.386 2.613 170 HB3 SER 27 HB1 SER 27 0.496 -4.658 3.163 171 HG SER 27 HG SER 27 1.180 -2.362 1.638 172 H ARG 28 HN ARG 28 0.597 -7.088 1.776 173 HA ARG 28 HA ARG 28 3.360 -7.073 1.039 174 HB2 ARG 28 HB2 ARG 28 1.526 -9.246 2.044 175 HB3 ARG 28 HB1 ARG 28 3.231 -9.512 1.699 176 HG2 ARG 28 HG2 ARG 28 3.876 -7.935 3.394 177 HG3 ARG 28 HG1 ARG 28 2.197 -7.469 3.660 178 HD2 ARG 28 HD2 ARG 28 1.703 -9.751 4.423 179 HD3 ARG 28 HD1 ARG 28 3.395 -10.187 4.189 180 HE ARG 28 HE ARG 28 3.777 -8.264 5.869 181 HH11 ARG 28 HH11 ARG 28 1.077 -10.496 5.920 182 HH12 ARG 28 HH12 ARG 28 0.851 -10.380 7.636 183 HH21 ARG 28 HH21 ARG 28 3.491 -8.124 8.131 184 HH22 ARG 28 HH22 ARG 28 2.229 -9.041 8.894 185 H VAL 29 HN VAL 29 0.438 -7.869 -0.596 186 HA VAL 29 HA VAL 29 1.862 -9.441 -2.596 187 HB VAL 29 HB VAL 29 -1.082 -8.775 -2.469 188 HG11 VAL 29 HG11 VAL 29 -0.325 -9.319 -4.725 189 HG12 VAL 29 HG12 VAL 29 -1.335 -10.610 -4.075 190 HG13 VAL 29 HG13 VAL 29 0.417 -10.803 -4.127 191 HG21 VAL 29 HG21 VAL 29 0.401 -11.243 -1.586 192 HG22 VAL 29 HG22 VAL 29 -1.352 -11.106 -1.702 193 HG23 VAL 29 HG23 VAL 29 -0.464 -10.106 -0.554 194 H PHE 30 HN PHE 30 0.110 -6.372 -2.301 195 HA PHE 30 HA PHE 30 1.157 -5.624 -4.958 196 HB2 PHE 30 HB2 PHE 30 -1.488 -4.721 -3.783 197 HB3 PHE 30 HB1 PHE 30 -0.858 -4.315 -5.375 198 HD1 PHE 30 HD1 PHE 30 -0.392 -6.382 -6.946 199 HD2 PHE 30 HD2 PHE 30 -2.993 -6.426 -3.572 200 HE1 PHE 30 HE1 PHE 30 -1.577 -8.317 -7.886 201 HE2 PHE 30 HE2 PHE 30 -4.174 -8.369 -4.505 202 HZ PHE 30 HZ PHE 30 -3.470 -9.318 -6.667 203 H HIS 31 HN HIS 31 2.770 -5.070 -2.972 204 HA HIS 31 HA HIS 31 2.278 -2.992 -1.227 205 HB2 HIS 31 HB2 HIS 31 4.253 -4.464 -1.142 206 HB3 HIS 31 HB1 HIS 31 4.906 -3.659 -2.563 207 HD1 HIS 31 HD1 HIS 31 3.832 -2.647 0.973 208 HD2 HIS 31 HD2 HIS 31 6.628 -1.704 -1.950 209 HE1 HIS 31 HE1 HIS 31 5.363 -0.901 1.990 210 H GLU 32 HN GLU 32 3.586 -2.757 -4.519 211 HA GLU 32 HA GLU 32 4.185 0.011 -4.389 212 HB2 GLU 32 HB2 GLU 32 3.618 -1.742 -6.787 213 HB3 GLU 32 HB1 GLU 32 4.312 -0.130 -6.859 214 HG2 GLU 32 HG2 GLU 32 6.318 -0.831 -5.869 215 HG3 GLU 32 HG1 GLU 32 5.616 -2.358 -5.334 216 H ASP 33 HN ASP 33 1.485 -1.796 -5.744 217 HA ASP 33 HA ASP 33 0.072 0.434 -6.753 218 HB2 ASP 33 HB2 ASP 33 -0.859 -2.363 -6.073 219 HB3 ASP 33 HB1 ASP 33 -1.831 -1.178 -6.937 220 H CYS 34 HN CYS 34 0.291 -1.018 -3.638 221 HA CYS 34 HA CYS 34 -2.149 0.093 -2.617 222 HB2 CYS 34 HB2 CYS 34 0.165 -1.398 -1.434 223 HB3 CYS 34 HB1 CYS 34 -0.978 -0.574 -0.373 224 H HIS 35 HN HIS 35 0.744 1.504 -3.408 225 HA HIS 35 HA HIS 35 0.369 3.666 -1.439 226 HB2 HIS 35 HB2 HIS 35 2.659 3.074 -3.321 227 HB3 HIS 35 HB1 HIS 35 2.550 4.523 -2.329 228 HD1 HIS 35 HD1 HIS 35 2.962 4.215 0.249 229 HD2 HIS 35 HD2 HIS 35 3.355 0.767 -2.025 230 HE1 HIS 35 HE1 HIS 35 4.214 2.555 1.687 231 H ILE 36 HN ILE 36 0.759 2.985 -4.873 232 HA ILE 36 HA ILE 36 -0.668 5.451 -5.510 233 HB ILE 36 HB ILE 36 0.968 5.536 -7.576 234 HG12 ILE 36 HG12 ILE 36 3.354 5.091 -6.607 235 HG13 ILE 36 HG11 ILE 36 2.522 3.992 -5.519 236 HG21 ILE 36 HG21 ILE 36 2.417 7.122 -6.306 237 HG22 ILE 36 HG22 ILE 36 1.603 6.596 -4.831 238 HG23 ILE 36 HG23 ILE 36 0.687 7.388 -6.111 239 HD11 ILE 36 HD11 ILE 36 1.668 2.751 -7.452 240 HD12 ILE 36 HD12 ILE 36 3.430 2.800 -7.409 241 HD13 ILE 36 HD13 ILE 36 2.544 3.843 -8.523 242 HA PRO 37 HA PRO 37 -1.622 6.421 -7.071 243 HB2 PRO 37 HB2 PRO 37 -4.205 6.566 -7.832 244 HB3 PRO 37 HB1 PRO 37 -2.889 6.471 -9.022 245 HG2 PRO 37 HG2 PRO 37 -4.684 4.288 -7.986 246 HG3 PRO 37 HG1 PRO 37 -4.194 4.628 -9.659 247 HD2 PRO 37 HD2 PRO 37 -3.011 2.707 -8.134 248 HD3 PRO 37 HD1 PRO 37 -2.144 3.603 -9.401 249 HA PRO 38 HA PRO 38 -3.421 5.858 -3.037 250 HB2 PRO 38 HB2 PRO 38 -3.414 8.438 -2.235 251 HB3 PRO 38 HB1 PRO 38 -1.940 7.467 -2.328 252 HG2 PRO 38 HG2 PRO 38 -2.994 9.507 -4.245 253 HG3 PRO 38 HG1 PRO 38 -1.324 9.225 -3.717 254 HD2 PRO 38 HD2 PRO 38 -2.335 8.329 -6.107 255 HD3 PRO 38 HD1 PRO 38 -1.000 7.538 -5.243 256 H VAL 39 HN VAL 39 -5.432 5.956 -2.133 257 HA VAL 39 HA VAL 39 -7.585 6.949 -3.746 258 HB VAL 39 HB VAL 39 -7.850 4.839 -2.577 259 HG11 VAL 39 HG11 VAL 39 -8.186 4.824 -0.096 260 HG12 VAL 39 HG12 VAL 39 -7.504 6.448 -0.063 261 HG13 VAL 39 HG13 VAL 39 -6.530 5.092 -0.627 262 HG21 VAL 39 HG21 VAL 39 -9.846 6.163 -3.054 263 HG22 VAL 39 HG22 VAL 39 -9.722 6.918 -1.467 264 HG23 VAL 39 HG23 VAL 39 -10.042 5.191 -1.596 265 H GLU 40 HN GLU 40 -6.959 9.188 -3.736 266 HA GLU 40 HA GLU 40 -6.775 10.598 -1.240 267 HB2 GLU 40 HB2 GLU 40 -6.774 11.644 -4.072 268 HB3 GLU 40 HB1 GLU 40 -6.406 12.596 -2.641 269 HG2 GLU 40 HG2 GLU 40 -4.510 11.052 -2.176 270 HG3 GLU 40 HG1 GLU 40 -4.844 10.264 -3.718 271 H ALA 41 HN ALA 41 -9.339 9.760 -3.260 272 HA ALA 41 HA ALA 41 -11.052 11.974 -2.753 273 HB1 ALA 41 HB1 ALA 41 -12.861 10.501 -3.502 274 HB2 ALA 41 HB2 ALA 41 -11.755 9.127 -3.461 275 HB3 ALA 41 HB3 ALA 41 -11.483 10.446 -4.599 276 H GLU 42 HN GLU 42 -10.181 9.117 -1.027 277 HA GLU 42 HA GLU 42 -11.331 10.106 1.384 278 HB2 GLU 42 HB2 GLU 42 -12.635 7.939 1.790 279 HB3 GLU 42 HB1 GLU 42 -13.357 9.133 0.723 280 HG2 GLU 42 HG2 GLU 42 -12.578 7.855 -1.216 281 HG3 GLU 42 HG1 GLU 42 -11.892 6.648 -0.131 282 H ARG 43 HN ARG 43 -9.065 10.052 1.807 283 HA ARG 43 HA ARG 43 -7.587 7.617 1.722 284 HB2 ARG 43 HB2 ARG 43 -6.945 10.158 3.224 285 HB3 ARG 43 HB1 ARG 43 -5.830 8.840 2.901 286 HG2 ARG 43 HG2 ARG 43 -6.349 9.323 0.415 287 HG3 ARG 43 HG1 ARG 43 -6.950 10.870 1.017 288 HD2 ARG 43 HD2 ARG 43 -4.182 9.741 1.386 289 HD3 ARG 43 HD1 ARG 43 -4.636 11.094 0.355 290 HE ARG 43 HE ARG 43 -5.300 12.233 2.497 291 HH11 ARG 43 HH11 ARG 43 -2.784 9.798 2.374 292 HH12 ARG 43 HH12 ARG 43 -1.994 10.343 3.825 293 HH21 ARG 43 HH21 ARG 43 -4.222 13.018 4.352 294 HH22 ARG 43 HH22 ARG 43 -2.797 12.209 4.924 295 H THR 44 HN THR 44 -8.099 5.981 2.978 296 HA THR 44 HA THR 44 -8.506 6.498 5.842 297 HB THR 44 HB THR 44 -10.014 4.514 5.876 298 HG1 THR 44 HG1 THR 44 -9.162 3.670 3.819 299 HG21 THR 44 HG21 THR 44 -10.958 6.777 5.755 300 HG22 THR 44 HG22 THR 44 -11.951 5.625 4.860 301 HG23 THR 44 HG23 THR 44 -10.871 6.721 3.993 302 HA PRO 45 HA PRO 45 -4.820 3.811 5.502 303 HB2 PRO 45 HB2 PRO 45 -4.394 4.680 8.281 304 HB3 PRO 45 HB1 PRO 45 -3.326 4.829 6.881 305 HG2 PRO 45 HG2 PRO 45 -4.565 6.966 7.957 306 HG3 PRO 45 HG1 PRO 45 -4.248 6.834 6.217 307 HD2 PRO 45 HD2 PRO 45 -6.805 6.371 7.720 308 HD3 PRO 45 HD1 PRO 45 -6.547 7.170 6.150 309 H TRP 46 HN TRP 46 -7.340 3.950 7.901 310 HA TRP 46 HA TRP 46 -6.605 1.395 9.062 311 HB2 TRP 46 HB2 TRP 46 -8.723 1.802 10.438 312 HB3 TRP 46 HB1 TRP 46 -7.405 2.950 10.663 313 HD1 TRP 46 HD1 TRP 46 -10.911 2.689 9.116 314 HE1 TRP 46 HE1 TRP 46 -11.822 5.062 8.739 315 HE3 TRP 46 HE3 TRP 46 -6.719 5.371 10.301 316 HZ2 TRP 46 HZ2 TRP 46 -10.895 7.713 8.919 317 HZ3 TRP 46 HZ3 TRP 46 -6.820 7.829 10.169 318 HH2 TRP 46 HH2 TRP 46 -8.862 8.971 9.491 319 H ASN 47 HN ASN 47 -7.979 2.139 6.260 320 HA ASN 47 HA ASN 47 -9.738 -0.220 6.314 321 HB2 ASN 47 HB2 ASN 47 -10.212 2.377 4.828 322 HB3 ASN 47 HB1 ASN 47 -11.117 0.901 4.537 323 HD21 ASN 47 HD21 ASN 47 -11.236 0.115 7.323 324 HD22 ASN 47 HD22 ASN 47 -12.357 1.194 8.085 325 H CYS 48 HN CYS 48 -9.397 -1.667 4.667 326 HA CYS 48 HA CYS 48 -7.139 -1.079 2.927 327 HB2 CYS 48 HB2 CYS 48 -7.303 -3.260 4.156 328 HB3 CYS 48 HB1 CYS 48 -8.727 -3.650 3.197 329 H ILE 49 HN ILE 49 -7.439 -0.279 0.944 330 HA ILE 49 HA ILE 49 -10.074 -0.304 -0.233 331 HB ILE 49 HB ILE 49 -9.000 0.926 -2.138 332 HG12 ILE 49 HG12 ILE 49 -6.586 1.031 -0.327 333 HG13 ILE 49 HG11 ILE 49 -6.697 0.011 -1.758 334 HG21 ILE 49 HG21 ILE 49 -8.652 2.091 0.620 335 HG22 ILE 49 HG22 ILE 49 -10.127 2.108 -0.346 336 HG23 ILE 49 HG23 ILE 49 -8.711 3.012 -0.882 337 HD11 ILE 49 HD11 ILE 49 -6.932 1.994 -3.153 338 HD12 ILE 49 HD12 ILE 49 -5.449 2.054 -2.200 339 HD13 ILE 49 HD13 ILE 49 -6.847 3.018 -1.722 340 H PHE 50 HN PHE 50 -7.159 -2.125 -0.524 341 HA PHE 50 HA PHE 50 -7.777 -3.129 -3.134 342 HB2 PHE 50 HB2 PHE 50 -5.528 -3.413 -1.297 343 HB3 PHE 50 HB1 PHE 50 -5.949 -4.924 -2.112 344 HD1 PHE 50 HD2 PHE 50 -5.038 -1.387 -2.668 345 HD2 PHE 50 HD1 PHE 50 -5.478 -5.247 -4.406 346 HE1 PHE 50 HE2 PHE 50 -3.867 -0.611 -4.684 347 HE2 PHE 50 HE1 PHE 50 -4.303 -4.479 -6.420 348 HZ PHE 50 HZ PHE 50 -3.622 -2.149 -6.630 349 H CYS 51 HN CYS 51 -8.412 -4.153 0.154 350 HA CYS 51 HA CYS 51 -9.348 -6.739 -0.442 351 HB2 CYS 51 HB2 CYS 51 -9.875 -4.793 1.757 352 HB3 CYS 51 HB1 CYS 51 -11.004 -6.127 1.560 353 H ARG 52 HN ARG 52 -10.881 -3.576 -0.748 354 HA ARG 52 HA ARG 52 -13.410 -4.722 -1.530 355 HB2 ARG 52 HB2 ARG 52 -12.456 -1.854 -1.629 356 HB3 ARG 52 HB1 ARG 52 -14.105 -2.386 -1.909 357 HG2 ARG 52 HG2 ARG 52 -14.245 -3.183 0.396 358 HG3 ARG 52 HG1 ARG 52 -12.583 -2.657 0.678 359 HD2 ARG 52 HD2 ARG 52 -14.142 -1.005 1.527 360 HD3 ARG 52 HD1 ARG 52 -13.244 -0.350 0.159 361 HE ARG 52 HE ARG 52 -15.899 -1.499 -0.314 362 HH11 ARG 52 HH11 ARG 52 -13.823 1.327 -0.169 363 HH12 ARG 52 HH12 ARG 52 -14.950 2.347 -1.001 364 HH21 ARG 52 HH21 ARG 52 -17.373 -0.149 -1.400 365 HH22 ARG 52 HH22 ARG 52 -16.967 1.515 -1.687 366 H MET 53 HN MET 53 -10.502 -3.843 -3.052 367 HA MET 53 HA MET 53 -11.704 -3.405 -5.665 368 HB2 MET 53 HB2 MET 53 -9.797 -2.023 -5.002 369 HB3 MET 53 HB1 MET 53 -8.809 -3.460 -4.795 370 HG2 MET 53 HG2 MET 53 -8.942 -3.919 -7.174 371 HG3 MET 53 HG1 MET 53 -9.990 -2.519 -7.398 372 HE1 MET 53 HE1 MET 53 -6.631 -1.385 -9.078 373 HE2 MET 53 HE2 MET 53 -8.368 -1.593 -9.298 374 HE3 MET 53 HE3 MET 53 -7.332 -3.004 -9.083 375 H LYS 54 HN LYS 54 -9.736 -5.798 -4.006 376 HA LYS 54 HA LYS 54 -9.328 -7.483 -6.257 377 HB2 LYS 54 HB2 LYS 54 -7.946 -7.281 -4.113 378 HB3 LYS 54 HB1 LYS 54 -9.164 -8.293 -3.357 379 HG2 LYS 54 HG2 LYS 54 -8.645 -10.116 -4.843 380 HG3 LYS 54 HG1 LYS 54 -7.531 -9.094 -5.757 381 HD2 LYS 54 HD2 LYS 54 -6.141 -8.832 -3.751 382 HD3 LYS 54 HD1 LYS 54 -7.245 -9.873 -2.854 383 HE2 LYS 54 HE2 LYS 54 -5.685 -10.701 -5.298 384 HE3 LYS 54 HE1 LYS 54 -5.219 -11.049 -3.635 385 HZ1 LYS 54 HZ1 LYS 54 -7.293 -12.285 -3.374 386 HZ2 LYS 54 HZ2 LYS 54 -6.338 -12.929 -4.615 387 HZ3 LYS 54 HZ3 LYS 54 -7.684 -11.984 -4.992 388 H GLU 55 HN GLU 55 -12.174 -6.781 -5.142 389 HA GLU 55 HA GLU 55 -13.359 -9.392 -4.810 390 HB2 GLU 55 HB2 GLU 55 -14.675 -6.727 -5.380 391 HB3 GLU 55 HB1 GLU 55 -15.492 -8.193 -4.868 392 HG2 GLU 55 HG2 GLU 55 -13.378 -6.894 -3.191 393 HG3 GLU 55 HG1 GLU 55 -15.067 -6.397 -3.119 394 H SER 56 HN SER 56 -12.294 -10.181 -6.821 395 HA SER 56 HA SER 56 -13.236 -9.111 -9.324 396 HB2 SER 56 HB2 SER 56 -11.878 -11.221 -10.139 397 HB3 SER 56 HB1 SER 56 -11.040 -9.795 -9.528 398 HG SER 56 HG SER 56 -11.565 -12.240 -8.195 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 10.217 -10.671 2.661 2 H2 GLY 1 HT2 GLY 1 9.511 -11.321 1.266 3 H3 GLY 1 HT3 GLY 1 10.312 -9.834 1.191 4 HA2 GLY 1 HA1 GLY 1 11.683 -11.567 0.243 5 HA3 GLY 1 HA2 GLY 1 12.414 -10.900 1.697 6 H ALA 2 HN ALA 2 13.617 -12.929 1.745 7 HA ALA 2 HA ALA 2 12.136 -15.349 2.350 8 HB1 ALA 2 HB1 ALA 2 14.333 -16.415 2.475 9 HB2 ALA 2 HB2 ALA 2 15.110 -14.838 2.342 10 HB3 ALA 2 HB3 ALA 2 14.170 -15.472 0.992 11 H MET 3 HN MET 3 13.681 -12.786 4.022 12 HA MET 3 HA MET 3 12.959 -14.017 6.578 13 HB2 MET 3 HB2 MET 3 15.384 -14.418 6.216 14 HB3 MET 3 HB1 MET 3 15.628 -12.685 6.050 15 HG2 MET 3 HG2 MET 3 16.269 -13.421 8.262 16 HG3 MET 3 HG1 MET 3 14.869 -12.357 8.354 17 HE1 MET 3 HE1 MET 3 15.889 -14.294 10.718 18 HE2 MET 3 HE2 MET 3 14.340 -14.887 11.317 19 HE3 MET 3 HE3 MET 3 14.521 -13.192 10.866 20 H GLY 4 HN GLY 4 11.173 -12.518 6.169 21 HA2 GLY 4 HA2 GLY 4 10.425 -10.533 7.405 22 HA3 GLY 4 HA1 GLY 4 11.905 -9.745 6.870 23 H MET 5 HN MET 5 10.094 -8.167 6.206 24 HA MET 5 HA MET 5 9.615 -8.656 3.368 25 HB2 MET 5 HB2 MET 5 7.539 -9.270 4.614 26 HB3 MET 5 HB1 MET 5 7.459 -7.618 5.215 27 HG2 MET 5 HG2 MET 5 5.967 -7.968 3.321 28 HG3 MET 5 HG1 MET 5 7.215 -6.780 2.952 29 HE1 MET 5 HE1 MET 5 6.581 -7.032 0.369 30 HE2 MET 5 HE2 MET 5 5.384 -8.272 0.738 31 HE3 MET 5 HE3 MET 5 6.605 -8.567 -0.499 32 H ARG 6 HN ARG 6 11.462 -7.219 3.350 33 HA ARG 6 HA ARG 6 10.853 -4.426 3.988 34 HB2 ARG 6 HB2 ARG 6 13.458 -5.702 3.136 35 HB3 ARG 6 HB1 ARG 6 13.245 -4.018 3.593 36 HG2 ARG 6 HG2 ARG 6 12.536 -4.780 5.848 37 HG3 ARG 6 HG1 ARG 6 12.933 -6.431 5.365 38 HD2 ARG 6 HD2 ARG 6 15.248 -5.697 4.902 39 HD3 ARG 6 HD1 ARG 6 14.828 -4.088 5.490 40 HE ARG 6 HE ARG 6 14.533 -6.433 7.234 41 HH11 ARG 6 HH11 ARG 6 15.964 -3.307 6.551 42 HH12 ARG 6 HH12 ARG 6 16.678 -3.155 8.125 43 HH21 ARG 6 HH21 ARG 6 15.470 -6.226 9.300 44 HH22 ARG 6 HH22 ARG 6 16.395 -4.813 9.687 45 H ASN 7 HN ASN 7 9.317 -5.162 1.998 46 HA ASN 7 HA ASN 7 10.556 -4.797 -0.577 47 HB2 ASN 7 HB2 ASN 7 8.491 -6.202 -0.191 48 HB3 ASN 7 HB1 ASN 7 7.598 -4.706 0.067 49 HD21 ASN 7 HD21 ASN 7 10.171 -5.242 -2.274 50 HD22 ASN 7 HD22 ASN 7 9.191 -5.008 -3.675 51 H LEU 8 HN LEU 8 9.406 -2.802 1.885 52 HA LEU 8 HA LEU 8 8.561 -0.591 0.297 53 HB2 LEU 8 HB2 LEU 8 8.557 0.639 2.456 54 HB3 LEU 8 HB1 LEU 8 7.604 -0.829 2.456 55 HG LEU 8 HG LEU 8 9.751 -1.895 3.517 56 HD11 LEU 8 HD11 LEU 8 11.018 -0.370 4.900 57 HD12 LEU 8 HD12 LEU 8 10.099 0.998 4.278 58 HD13 LEU 8 HD13 LEU 8 11.161 0.090 3.204 59 HD21 LEU 8 HD21 LEU 8 7.579 -1.720 4.608 60 HD22 LEU 8 HD22 LEU 8 7.926 -0.048 5.052 61 HD23 LEU 8 HD23 LEU 8 8.885 -1.361 5.737 62 H ASP 9 HN ASP 9 11.571 -1.826 0.834 63 HA ASP 9 HA ASP 9 13.024 0.627 1.158 64 HB2 ASP 9 HB2 ASP 9 13.807 -2.215 0.649 65 HB3 ASP 9 HB1 ASP 9 14.984 -0.932 0.396 66 H GLU 10 HN GLU 10 12.187 -1.474 -1.513 67 HA GLU 10 HA GLU 10 13.548 0.095 -3.486 68 HB2 GLU 10 HB2 GLU 10 11.333 -1.933 -3.856 69 HB3 GLU 10 HB1 GLU 10 12.411 -1.333 -5.105 70 HG2 GLU 10 HG2 GLU 10 14.293 -2.402 -4.092 71 HG3 GLU 10 HG1 GLU 10 13.340 -2.859 -2.684 72 H CYS 11 HN CYS 11 10.516 0.159 -1.936 73 HA CYS 11 HA CYS 11 9.079 1.748 -3.800 74 HB2 CYS 11 HB2 CYS 11 8.091 0.194 -2.166 75 HB3 CYS 11 HB1 CYS 11 8.667 1.210 -0.863 76 H GLU 12 HN GLU 12 9.898 3.716 -4.260 77 HA GLU 12 HA GLU 12 11.428 5.273 -2.462 78 HB2 GLU 12 HB2 GLU 12 10.108 5.986 -5.074 79 HB3 GLU 12 HB1 GLU 12 11.131 7.092 -4.170 80 HG2 GLU 12 HG2 GLU 12 11.969 4.441 -5.320 81 HG3 GLU 12 HG1 GLU 12 12.372 6.033 -5.956 82 H VAL 13 HN VAL 13 7.993 5.139 -3.134 83 HA VAL 13 HA VAL 13 7.436 7.672 -1.966 84 HB VAL 13 HB VAL 13 5.857 6.676 -3.538 85 HG11 VAL 13 HG11 VAL 13 4.418 4.837 -2.911 86 HG12 VAL 13 HG12 VAL 13 5.295 4.650 -1.394 87 HG13 VAL 13 HG13 VAL 13 6.108 4.337 -2.928 88 HG21 VAL 13 HG21 VAL 13 4.689 7.037 -0.789 89 HG22 VAL 13 HG22 VAL 13 3.794 7.121 -2.306 90 HG23 VAL 13 HG23 VAL 13 5.038 8.320 -1.947 91 H CYS 14 HN CYS 14 7.598 4.365 -0.736 92 HA CYS 14 HA CYS 14 6.779 4.992 1.905 93 HB2 CYS 14 HB2 CYS 14 8.220 2.736 0.621 94 HB3 CYS 14 HB1 CYS 14 8.410 2.923 2.358 95 H ARG 15 HN ARG 15 9.767 5.214 0.166 96 HA ARG 15 HA ARG 15 11.462 5.854 2.343 97 HB2 ARG 15 HB2 ARG 15 12.301 5.137 0.141 98 HB3 ARG 15 HB1 ARG 15 11.688 6.620 -0.572 99 HG2 ARG 15 HG2 ARG 15 13.236 7.911 0.831 100 HG3 ARG 15 HG1 ARG 15 13.879 6.402 1.481 101 HD2 ARG 15 HD2 ARG 15 14.565 5.724 -0.763 102 HD3 ARG 15 HD1 ARG 15 13.903 7.218 -1.422 103 HE ARG 15 HE ARG 15 15.913 7.577 0.625 104 HH11 ARG 15 HH11 ARG 15 15.276 7.251 -2.810 105 HH12 ARG 15 HH12 ARG 15 16.755 8.033 -3.280 106 HH21 ARG 15 HH21 ARG 15 17.860 8.587 0.006 107 HH22 ARG 15 HH22 ARG 15 18.232 8.784 -1.678 108 H ASP 16 HN ASP 16 9.429 7.764 0.199 109 HA ASP 16 HA ASP 16 10.087 10.284 1.370 110 HB2 ASP 16 HB2 ASP 16 7.775 9.399 -0.357 111 HB3 ASP 16 HB1 ASP 16 7.942 11.049 0.232 112 H GLY 17 HN GLY 17 8.606 7.739 2.757 113 HA2 GLY 17 HA2 GLY 17 7.546 7.638 4.821 114 HA3 GLY 17 HA1 GLY 17 7.424 9.392 4.808 115 H GLY 18 HN GLY 18 6.272 7.519 2.122 116 HA2 GLY 18 HA2 GLY 18 3.642 8.532 2.281 117 HA3 GLY 18 HA1 GLY 18 4.174 7.211 1.254 118 H GLU 19 HN GLU 19 1.677 7.257 2.397 119 HA GLU 19 HA GLU 19 1.790 5.429 4.677 120 HB2 GLU 19 HB2 GLU 19 -0.362 7.173 3.531 121 HB3 GLU 19 HB1 GLU 19 -0.760 5.856 4.627 122 HG2 GLU 19 HG2 GLU 19 1.040 8.199 5.215 123 HG3 GLU 19 HG1 GLU 19 -0.596 7.956 5.827 124 H LEU 20 HN LEU 20 0.240 3.660 4.722 125 HA LEU 20 HA LEU 20 -0.136 2.438 2.079 126 HB2 LEU 20 HB2 LEU 20 0.419 1.288 4.787 127 HB3 LEU 20 HB1 LEU 20 -0.387 0.318 3.571 128 HG LEU 20 HG LEU 20 2.293 1.623 3.109 129 HD11 LEU 20 HD11 LEU 20 1.692 -1.186 4.036 130 HD12 LEU 20 HD12 LEU 20 2.453 0.081 5.000 131 HD13 LEU 20 HD13 LEU 20 3.278 -0.562 3.581 132 HD21 LEU 20 HD21 LEU 20 0.810 -0.607 1.709 133 HD22 LEU 20 HD22 LEU 20 2.445 -0.076 1.327 134 HD23 LEU 20 HD23 LEU 20 1.087 1.019 1.083 135 H PHE 21 HN PHE 21 -2.143 1.804 1.479 136 HA PHE 21 HA PHE 21 -4.327 2.440 3.354 137 HB2 PHE 21 HB2 PHE 21 -4.446 2.432 0.320 138 HB3 PHE 21 HB1 PHE 21 -5.664 3.062 1.429 139 HD1 PHE 21 HD1 PHE 21 -5.087 5.091 2.833 140 HD2 PHE 21 HD2 PHE 21 -2.658 3.789 -0.418 141 HE1 PHE 21 HE1 PHE 21 -3.992 7.284 2.771 142 HE2 PHE 21 HE2 PHE 21 -1.566 5.990 -0.481 143 HZ PHE 21 HZ PHE 21 -2.230 7.739 1.115 144 H CYS 22 HN CYS 22 -2.904 -0.032 3.225 145 HA CYS 22 HA CYS 22 -5.062 -1.843 2.419 146 HB2 CYS 22 HB2 CYS 22 -2.132 -2.185 1.733 147 HB3 CYS 22 HB1 CYS 22 -3.419 -3.322 1.336 148 H CYS 23 HN CYS 23 -4.909 -3.974 3.401 149 HA CYS 23 HA CYS 23 -3.981 -4.057 6.089 150 HB2 CYS 23 HB2 CYS 23 -4.552 -6.489 4.388 151 HB3 CYS 23 HB1 CYS 23 -4.756 -6.308 6.130 152 H ASP 24 HN ASP 24 -2.329 -5.701 6.872 153 HA ASP 24 HA ASP 24 0.158 -5.405 5.718 154 HB2 ASP 24 HB2 ASP 24 -0.854 -7.704 7.400 155 HB3 ASP 24 HB1 ASP 24 0.839 -7.468 6.983 156 H THR 25 HN THR 25 -1.991 -8.220 5.385 157 HA THR 25 HA THR 25 -0.423 -9.658 3.592 158 HB THR 25 HB THR 25 -3.436 -9.660 3.764 159 HG1 THR 25 HG1 THR 25 -1.419 -10.684 5.422 160 HG21 THR 25 HG21 THR 25 -2.577 -10.867 1.824 161 HG22 THR 25 HG22 THR 25 -3.222 -11.992 3.019 162 HG23 THR 25 HG23 THR 25 -1.480 -11.776 2.862 163 H CYS 26 HN CYS 26 -3.064 -7.362 2.956 164 HA CYS 26 HA CYS 26 -3.016 -7.659 0.149 165 HB2 CYS 26 HB2 CYS 26 -3.997 -5.298 1.770 166 HB3 CYS 26 HB1 CYS 26 -4.435 -5.669 0.106 167 H SER 27 HN SER 27 -1.281 -5.580 2.367 168 HA SER 27 HA SER 27 -0.122 -3.864 0.412 169 HB2 SER 27 HB2 SER 27 -0.253 -3.184 2.753 170 HB3 SER 27 HB1 SER 27 0.764 -4.538 3.229 171 HG SER 27 HG SER 27 2.167 -2.904 3.076 172 H ARG 28 HN ARG 28 0.783 -6.969 1.789 173 HA ARG 28 HA ARG 28 3.457 -6.876 0.764 174 HB2 ARG 28 HB2 ARG 28 1.805 -9.130 1.900 175 HB3 ARG 28 HB1 ARG 28 3.473 -9.321 1.381 176 HG2 ARG 28 HG2 ARG 28 4.141 -7.597 3.021 177 HG3 ARG 28 HG1 ARG 28 2.472 -7.522 3.581 178 HD2 ARG 28 HD2 ARG 28 3.799 -8.944 5.035 179 HD3 ARG 28 HD1 ARG 28 2.575 -9.891 4.193 180 HE ARG 28 HE ARG 28 4.723 -10.191 2.599 181 HH11 ARG 28 HH11 ARG 28 4.279 -10.557 6.045 182 HH12 ARG 28 HH12 ARG 28 5.523 -11.753 6.210 183 HH21 ARG 28 HH21 ARG 28 6.364 -11.774 2.808 184 HH22 ARG 28 HH22 ARG 28 6.697 -12.458 4.369 185 H VAL 29 HN VAL 29 0.380 -7.830 -0.460 186 HA VAL 29 HA VAL 29 1.556 -9.356 -2.631 187 HB VAL 29 HB VAL 29 -1.344 -8.696 -2.100 188 HG11 VAL 29 HG11 VAL 29 -0.112 -10.674 -4.013 189 HG12 VAL 29 HG12 VAL 29 -0.906 -9.166 -4.461 190 HG13 VAL 29 HG13 VAL 29 -1.836 -10.464 -3.713 191 HG21 VAL 29 HG21 VAL 29 -0.423 -10.087 -0.345 192 HG22 VAL 29 HG22 VAL 29 0.245 -11.195 -1.543 193 HG23 VAL 29 HG23 VAL 29 -1.503 -11.038 -1.365 194 H PHE 30 HN PHE 30 -0.167 -6.293 -2.140 195 HA PHE 30 HA PHE 30 0.557 -5.553 -4.905 196 HB2 PHE 30 HB2 PHE 30 -1.909 -4.628 -3.415 197 HB3 PHE 30 HB1 PHE 30 -1.488 -4.247 -5.079 198 HD1 PHE 30 HD1 PHE 30 -1.266 -6.279 -6.678 199 HD2 PHE 30 HD2 PHE 30 -3.358 -6.379 -2.968 200 HE1 PHE 30 HE1 PHE 30 -2.536 -8.234 -7.452 201 HE2 PHE 30 HE2 PHE 30 -4.631 -8.335 -3.738 202 HZ PHE 30 HZ PHE 30 -4.307 -9.221 -5.945 203 H HIS 31 HN HIS 31 2.397 -4.929 -3.051 204 HA HIS 31 HA HIS 31 1.950 -2.635 -1.503 205 HB2 HIS 31 HB2 HIS 31 3.879 -4.229 -1.278 206 HB3 HIS 31 HB1 HIS 31 4.595 -3.476 -2.699 207 HD1 HIS 31 HD1 HIS 31 3.393 -2.382 0.765 208 HD2 HIS 31 HD2 HIS 31 6.248 -1.444 -2.105 209 HE1 HIS 31 HE1 HIS 31 4.904 -0.620 1.805 210 H GLU 32 HN GLU 32 3.290 -2.954 -4.765 211 HA GLU 32 HA GLU 32 4.010 -0.234 -5.057 212 HB2 GLU 32 HB2 GLU 32 3.518 -2.445 -7.042 213 HB3 GLU 32 HB1 GLU 32 4.005 -0.831 -7.534 214 HG2 GLU 32 HG2 GLU 32 5.598 -2.416 -5.560 215 HG3 GLU 32 HG1 GLU 32 5.818 -2.607 -7.298 216 H ASP 33 HN ASP 33 1.152 -2.074 -5.888 217 HA ASP 33 HA ASP 33 -0.087 0.099 -7.303 218 HB2 ASP 33 HB2 ASP 33 -0.447 -2.399 -7.738 219 HB3 ASP 33 HB1 ASP 33 -1.480 -2.383 -6.314 220 H CYS 34 HN CYS 34 0.041 -1.012 -4.051 221 HA CYS 34 HA CYS 34 -2.455 0.018 -3.169 222 HB2 CYS 34 HB2 CYS 34 -1.279 -1.728 -1.920 223 HB3 CYS 34 HB1 CYS 34 0.052 -0.623 -1.587 224 H HIS 35 HN HIS 35 0.693 1.416 -3.601 225 HA HIS 35 HA HIS 35 0.076 3.791 -2.080 226 HB2 HIS 35 HB2 HIS 35 2.366 3.121 -3.936 227 HB3 HIS 35 HB1 HIS 35 2.235 4.639 -3.047 228 HD1 HIS 35 HD1 HIS 35 2.502 4.467 -0.392 229 HD2 HIS 35 HD2 HIS 35 3.150 0.930 -2.483 230 HE1 HIS 35 HE1 HIS 35 3.633 2.881 1.219 231 H ILE 36 HN ILE 36 -0.913 2.621 -4.961 232 HA ILE 36 HA ILE 36 -1.186 5.253 -6.239 233 HB ILE 36 HB ILE 36 -1.523 2.477 -7.404 234 HG12 ILE 36 HG12 ILE 36 0.677 4.531 -7.745 235 HG13 ILE 36 HG11 ILE 36 0.806 2.994 -6.898 236 HG21 ILE 36 HG21 ILE 36 -1.556 5.138 -8.819 237 HG22 ILE 36 HG22 ILE 36 -2.976 4.151 -8.474 238 HG23 ILE 36 HG23 ILE 36 -1.726 3.549 -9.562 239 HD11 ILE 36 HD11 ILE 36 0.408 1.819 -9.017 240 HD12 ILE 36 HD12 ILE 36 1.839 2.846 -9.068 241 HD13 ILE 36 HD13 ILE 36 0.348 3.374 -9.847 242 HA PRO 37 HA PRO 37 -2.402 6.363 -7.483 243 HB2 PRO 37 HB2 PRO 37 -4.155 8.383 -7.199 244 HB3 PRO 37 HB1 PRO 37 -4.458 7.047 -8.327 245 HG2 PRO 37 HG2 PRO 37 -5.550 7.499 -5.564 246 HG3 PRO 37 HG1 PRO 37 -6.393 6.938 -7.022 247 HD2 PRO 37 HD2 PRO 37 -5.498 5.266 -5.039 248 HD3 PRO 37 HD1 PRO 37 -5.708 4.769 -6.732 249 HA PRO 38 HA PRO 38 -0.265 8.324 -4.118 250 HB2 PRO 38 HB2 PRO 38 0.597 10.567 -5.491 251 HB3 PRO 38 HB1 PRO 38 1.421 9.004 -5.490 252 HG2 PRO 38 HG2 PRO 38 -0.423 10.179 -7.526 253 HG3 PRO 38 HG1 PRO 38 1.033 9.193 -7.767 254 HD2 PRO 38 HD2 PRO 38 -1.453 8.161 -8.015 255 HD3 PRO 38 HD1 PRO 38 -0.100 7.202 -7.367 256 H VAL 39 HN VAL 39 -0.948 9.622 -2.527 257 HA VAL 39 HA VAL 39 -3.472 10.765 -2.628 258 HB VAL 39 HB VAL 39 -2.502 10.053 -0.533 259 HG11 VAL 39 HG11 VAL 39 -0.802 11.403 0.622 260 HG12 VAL 39 HG12 VAL 39 -0.614 12.377 -0.835 261 HG13 VAL 39 HG13 VAL 39 -0.191 10.667 -0.857 262 HG21 VAL 39 HG21 VAL 39 -3.120 13.002 -0.528 263 HG22 VAL 39 HG22 VAL 39 -3.166 11.936 0.877 264 HG23 VAL 39 HG23 VAL 39 -4.296 11.690 -0.454 265 H GLU 40 HN GLU 40 -4.198 12.508 -3.542 266 HA GLU 40 HA GLU 40 -2.392 14.782 -3.960 267 HB2 GLU 40 HB2 GLU 40 -4.801 13.816 -5.472 268 HB3 GLU 40 HB1 GLU 40 -4.283 15.491 -5.594 269 HG2 GLU 40 HG2 GLU 40 -2.551 13.111 -6.215 270 HG3 GLU 40 HG1 GLU 40 -3.430 14.064 -7.411 271 H ALA 41 HN ALA 41 -5.797 14.058 -3.229 272 HA ALA 41 HA ALA 41 -6.009 16.612 -1.839 273 HB1 ALA 41 HB1 ALA 41 -8.395 16.158 -1.737 274 HB2 ALA 41 HB2 ALA 41 -8.134 14.549 -2.410 275 HB3 ALA 41 HB3 ALA 41 -7.804 15.978 -3.389 276 H GLU 42 HN GLU 42 -7.077 13.292 -1.155 277 HA GLU 42 HA GLU 42 -5.710 13.057 1.296 278 HB2 GLU 42 HB2 GLU 42 -7.671 13.140 2.816 279 HB3 GLU 42 HB1 GLU 42 -7.268 14.703 2.118 280 HG2 GLU 42 HG2 GLU 42 -9.051 14.323 0.423 281 HG3 GLU 42 HG1 GLU 42 -9.518 12.878 1.320 282 H ARG 43 HN ARG 43 -5.737 10.973 1.996 283 HA ARG 43 HA ARG 43 -7.824 9.168 1.046 284 HB2 ARG 43 HB2 ARG 43 -4.864 8.716 0.613 285 HB3 ARG 43 HB1 ARG 43 -6.075 7.451 0.473 286 HG2 ARG 43 HG2 ARG 43 -7.178 8.894 -1.293 287 HG3 ARG 43 HG1 ARG 43 -5.708 9.873 -1.266 288 HD2 ARG 43 HD2 ARG 43 -5.626 8.191 -3.047 289 HD3 ARG 43 HD1 ARG 43 -4.378 7.905 -1.835 290 HE ARG 43 HE ARG 43 -6.819 6.449 -1.371 291 HH11 ARG 43 HH11 ARG 43 -3.759 6.391 -3.089 292 HH12 ARG 43 HH12 ARG 43 -3.668 4.658 -3.106 293 HH21 ARG 43 HH21 ARG 43 -6.697 4.184 -1.401 294 HH22 ARG 43 HH22 ARG 43 -5.342 3.405 -2.153 295 H THR 44 HN THR 44 -8.269 7.535 2.486 296 HA THR 44 HA THR 44 -7.134 7.952 5.127 297 HB THR 44 HB THR 44 -9.042 6.494 5.874 298 HG1 THR 44 HG1 THR 44 -10.486 5.779 4.416 299 HG21 THR 44 HG21 THR 44 -9.221 8.931 5.919 300 HG22 THR 44 HG22 THR 44 -10.766 8.207 5.471 301 HG23 THR 44 HG23 THR 44 -9.741 8.937 4.234 302 HA PRO 45 HA PRO 45 -4.551 4.314 4.571 303 HB2 PRO 45 HB2 PRO 45 -3.915 4.685 7.416 304 HB3 PRO 45 HB1 PRO 45 -2.846 4.737 6.011 305 HG2 PRO 45 HG2 PRO 45 -3.500 6.956 7.394 306 HG3 PRO 45 HG1 PRO 45 -3.214 6.981 5.644 307 HD2 PRO 45 HD2 PRO 45 -5.808 7.002 7.147 308 HD3 PRO 45 HD1 PRO 45 -5.340 7.899 5.683 309 H TRP 46 HN TRP 46 -7.011 4.759 6.972 310 HA TRP 46 HA TRP 46 -6.945 1.960 7.774 311 HB2 TRP 46 HB2 TRP 46 -8.959 2.744 9.208 312 HB3 TRP 46 HB1 TRP 46 -7.353 3.318 9.639 313 HD1 TRP 46 HD1 TRP 46 -10.669 4.534 8.149 314 HE1 TRP 46 HE1 TRP 46 -10.717 7.105 8.246 315 HE3 TRP 46 HE3 TRP 46 -5.866 5.377 9.688 316 HZ2 TRP 46 HZ2 TRP 46 -8.951 9.208 8.896 317 HZ3 TRP 46 HZ3 TRP 46 -5.126 7.699 10.022 318 HH2 TRP 46 HH2 TRP 46 -6.636 9.568 9.631 319 H ASN 47 HN ASN 47 -7.556 2.588 5.066 320 HA ASN 47 HA ASN 47 -10.118 1.200 4.879 321 HB2 ASN 47 HB2 ASN 47 -10.630 3.583 4.495 322 HB3 ASN 47 HB1 ASN 47 -9.400 3.648 3.242 323 HD21 ASN 47 HD21 ASN 47 -9.784 2.629 1.265 324 HD22 ASN 47 HD22 ASN 47 -11.379 2.175 0.765 325 H CYS 48 HN CYS 48 -9.479 -0.678 3.947 326 HA CYS 48 HA CYS 48 -7.180 -0.704 2.192 327 HB2 CYS 48 HB2 CYS 48 -7.536 -2.562 3.786 328 HB3 CYS 48 HB1 CYS 48 -9.058 -2.948 2.988 329 H ILE 49 HN ILE 49 -7.301 -0.397 0.101 330 HA ILE 49 HA ILE 49 -9.836 -0.100 -1.176 331 HB ILE 49 HB ILE 49 -8.377 0.265 -3.258 332 HG12 ILE 49 HG12 ILE 49 -6.218 0.432 -1.151 333 HG13 ILE 49 HG11 ILE 49 -6.360 -0.876 -2.322 334 HG21 ILE 49 HG21 ILE 49 -9.419 2.076 -2.028 335 HG22 ILE 49 HG22 ILE 49 -7.790 2.540 -2.518 336 HG23 ILE 49 HG23 ILE 49 -8.106 2.063 -0.850 337 HD11 ILE 49 HD11 ILE 49 -5.974 0.673 -4.134 338 HD12 ILE 49 HD12 ILE 49 -4.680 0.807 -2.942 339 HD13 ILE 49 HD13 ILE 49 -5.951 2.026 -3.004 340 H PHE 50 HN PHE 50 -7.401 -2.611 -1.081 341 HA PHE 50 HA PHE 50 -8.373 -3.886 -3.472 342 HB2 PHE 50 HB2 PHE 50 -6.334 -4.763 -1.424 343 HB3 PHE 50 HB1 PHE 50 -6.775 -5.728 -2.833 344 HD1 PHE 50 HD1 PHE 50 -6.306 -4.857 -5.118 345 HD2 PHE 50 HD2 PHE 50 -4.915 -2.888 -1.612 346 HE1 PHE 50 HE1 PHE 50 -4.705 -3.578 -6.475 347 HE2 PHE 50 HE2 PHE 50 -3.319 -1.612 -2.959 348 HZ PHE 50 HZ PHE 50 -3.211 -1.948 -5.395 349 H CYS 51 HN CYS 51 -8.909 -4.224 -0.031 350 HA CYS 51 HA CYS 51 -10.044 -6.803 -0.102 351 HB2 CYS 51 HB2 CYS 51 -9.998 -4.560 1.830 352 HB3 CYS 51 HB1 CYS 51 -11.321 -5.706 2.007 353 H ARG 52 HN ARG 52 -11.592 -3.584 -0.235 354 HA ARG 52 HA ARG 52 -14.159 -4.840 -0.590 355 HB2 ARG 52 HB2 ARG 52 -14.999 -2.479 -0.666 356 HB3 ARG 52 HB1 ARG 52 -14.163 -2.934 0.810 357 HG2 ARG 52 HG2 ARG 52 -12.107 -1.848 -0.150 358 HG3 ARG 52 HG1 ARG 52 -13.143 -1.209 -1.430 359 HD2 ARG 52 HD2 ARG 52 -12.841 0.418 0.377 360 HD3 ARG 52 HD1 ARG 52 -14.524 -0.086 0.237 361 HE ARG 52 HE ARG 52 -12.845 -1.461 2.198 362 HH11 ARG 52 HH11 ARG 52 -15.339 0.918 1.561 363 HH12 ARG 52 HH12 ARG 52 -15.966 0.878 3.179 364 HH21 ARG 52 HH21 ARG 52 -13.653 -1.502 4.324 365 HH22 ARG 52 HH22 ARG 52 -14.995 -0.489 4.758 366 H MET 53 HN MET 53 -11.791 -4.521 -2.699 367 HA MET 53 HA MET 53 -13.666 -4.071 -4.926 368 HB2 MET 53 HB2 MET 53 -10.664 -3.764 -4.821 369 HB3 MET 53 HB1 MET 53 -11.585 -3.750 -6.318 370 HG2 MET 53 HG2 MET 53 -12.752 -1.772 -5.653 371 HG3 MET 53 HG1 MET 53 -12.032 -1.835 -4.046 372 HE1 MET 53 HE1 MET 53 -9.634 -0.941 -7.892 373 HE2 MET 53 HE2 MET 53 -11.367 -1.261 -7.872 374 HE3 MET 53 HE3 MET 53 -10.229 -2.549 -7.484 375 H LYS 54 HN LYS 54 -11.368 -6.180 -3.446 376 HA LYS 54 HA LYS 54 -12.132 -8.339 -5.288 377 HB2 LYS 54 HB2 LYS 54 -9.327 -7.812 -4.265 378 HB3 LYS 54 HB1 LYS 54 -9.813 -9.180 -5.253 379 HG2 LYS 54 HG2 LYS 54 -10.262 -7.729 -7.125 380 HG3 LYS 54 HG1 LYS 54 -9.939 -6.300 -6.143 381 HD2 LYS 54 HD2 LYS 54 -7.624 -7.109 -5.804 382 HD3 LYS 54 HD1 LYS 54 -7.968 -8.462 -6.881 383 HE2 LYS 54 HE2 LYS 54 -8.118 -5.546 -7.637 384 HE3 LYS 54 HE1 LYS 54 -6.778 -6.626 -8.009 385 HZ1 LYS 54 HZ1 LYS 54 -8.324 -8.001 -9.294 386 HZ2 LYS 54 HZ2 LYS 54 -8.226 -6.428 -9.899 387 HZ3 LYS 54 HZ3 LYS 54 -9.569 -6.899 -8.986 388 H GLU 55 HN GLU 55 -13.577 -8.425 -3.238 389 HA GLU 55 HA GLU 55 -12.262 -9.349 -0.843 390 HB2 GLU 55 HB2 GLU 55 -14.302 -7.883 -0.847 391 HB3 GLU 55 HB1 GLU 55 -15.223 -9.275 -1.395 392 HG2 GLU 55 HG2 GLU 55 -14.682 -10.476 0.628 393 HG3 GLU 55 HG1 GLU 55 -13.653 -9.149 1.168 394 H SER 56 HN SER 56 -11.297 -11.249 -1.363 395 HA SER 56 HA SER 56 -12.921 -13.599 -1.363 396 HB2 SER 56 HB2 SER 56 -12.909 -12.868 -3.796 397 HB3 SER 56 HB1 SER 56 -11.169 -13.148 -3.791 398 HG SER 56 HG SER 56 -11.480 -15.252 -3.737 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 18.250 -7.209 2.303 2 H2 GLY 1 HT2 GLY 1 17.229 -7.923 3.445 3 H3 GLY 1 HT3 GLY 1 16.945 -6.339 2.931 4 HA2 GLY 1 HA1 GLY 1 16.755 -8.755 1.228 5 HA3 GLY 1 HA2 GLY 1 15.388 -7.880 1.906 6 H ALA 2 HN ALA 2 15.901 -8.349 -0.876 7 HA ALA 2 HA ALA 2 16.112 -5.554 -1.764 8 HB1 ALA 2 HB1 ALA 2 17.224 -7.947 -3.230 9 HB2 ALA 2 HB2 ALA 2 18.172 -6.727 -2.380 10 HB3 ALA 2 HB3 ALA 2 17.236 -6.281 -3.808 11 H MET 3 HN MET 3 15.048 -8.808 -2.732 12 HA MET 3 HA MET 3 12.785 -7.586 -4.163 13 HB2 MET 3 HB2 MET 3 13.928 -10.381 -4.351 14 HB3 MET 3 HB1 MET 3 12.537 -9.800 -5.253 15 HG2 MET 3 HG2 MET 3 13.933 -8.180 -6.403 16 HG3 MET 3 HG1 MET 3 15.333 -8.704 -5.468 17 HE1 MET 3 HE1 MET 3 16.406 -11.101 -5.638 18 HE2 MET 3 HE2 MET 3 15.863 -12.358 -6.749 19 HE3 MET 3 HE3 MET 3 14.853 -11.897 -5.380 20 H GLY 4 HN GLY 4 13.577 -8.984 -1.284 21 HA2 GLY 4 HA2 GLY 4 10.830 -9.366 -0.531 22 HA3 GLY 4 HA1 GLY 4 11.744 -10.869 -0.615 23 H MET 5 HN MET 5 10.956 -10.616 1.770 24 HA MET 5 HA MET 5 11.484 -10.364 3.966 25 HB2 MET 5 HB2 MET 5 14.264 -9.998 2.836 26 HB3 MET 5 HB1 MET 5 13.915 -10.136 4.551 27 HG2 MET 5 HG2 MET 5 12.952 -12.370 4.142 28 HG3 MET 5 HG1 MET 5 13.401 -12.228 2.447 29 HE1 MET 5 HE1 MET 5 15.450 -11.035 5.631 30 HE2 MET 5 HE2 MET 5 16.425 -12.473 5.930 31 HE3 MET 5 HE3 MET 5 14.675 -12.538 6.132 32 H ARG 6 HN ARG 6 10.191 -8.499 4.043 33 HA ARG 6 HA ARG 6 9.664 -6.327 4.418 34 HB2 ARG 6 HB2 ARG 6 12.595 -6.069 5.118 35 HB3 ARG 6 HB1 ARG 6 11.354 -4.875 5.475 36 HG2 ARG 6 HG2 ARG 6 10.233 -6.460 6.945 37 HG3 ARG 6 HG1 ARG 6 11.445 -7.684 6.560 38 HD2 ARG 6 HD2 ARG 6 11.962 -5.036 7.910 39 HD3 ARG 6 HD1 ARG 6 11.927 -6.609 8.703 40 HE ARG 6 HE ARG 6 13.809 -6.984 6.841 41 HH11 ARG 6 HH11 ARG 6 13.326 -4.423 9.175 42 HH12 ARG 6 HH12 ARG 6 15.006 -4.005 9.263 43 HH21 ARG 6 HH21 ARG 6 16.026 -6.452 6.951 44 HH22 ARG 6 HH22 ARG 6 16.550 -5.173 8.000 45 H ASN 7 HN ASN 7 9.437 -6.485 2.016 46 HA ASN 7 HA ASN 7 11.521 -5.178 0.471 47 HB2 ASN 7 HB2 ASN 7 10.493 -7.163 -0.493 48 HB3 ASN 7 HB1 ASN 7 8.902 -6.425 -0.380 49 HD21 ASN 7 HD21 ASN 7 11.964 -6.366 -2.081 50 HD22 ASN 7 HD22 ASN 7 11.398 -5.469 -3.450 51 H LEU 8 HN LEU 8 11.369 -3.097 1.360 52 HA LEU 8 HA LEU 8 9.351 -1.532 -0.071 53 HB2 LEU 8 HB2 LEU 8 9.442 0.147 1.816 54 HB3 LEU 8 HB1 LEU 8 8.562 -1.331 2.140 55 HG LEU 8 HG LEU 8 11.421 -1.174 2.982 56 HD11 LEU 8 HD11 LEU 8 9.110 0.122 4.425 57 HD12 LEU 8 HD12 LEU 8 10.528 0.936 3.764 58 HD13 LEU 8 HD13 LEU 8 10.703 -0.173 5.122 59 HD21 LEU 8 HD21 LEU 8 8.955 -2.402 4.212 60 HD22 LEU 8 HD22 LEU 8 10.611 -2.590 4.786 61 HD23 LEU 8 HD23 LEU 8 10.139 -3.254 3.222 62 H ASP 9 HN ASP 9 12.119 -2.399 -0.503 63 HA ASP 9 HA ASP 9 13.787 -0.075 -0.144 64 HB2 ASP 9 HB2 ASP 9 14.285 -2.719 -1.518 65 HB3 ASP 9 HB1 ASP 9 15.499 -1.458 -1.325 66 H GLU 10 HN GLU 10 12.108 -1.679 -2.762 67 HA GLU 10 HA GLU 10 13.191 0.147 -4.740 68 HB2 GLU 10 HB2 GLU 10 11.839 -1.191 -6.333 69 HB3 GLU 10 HB1 GLU 10 12.950 -2.170 -5.385 70 HG2 GLU 10 HG2 GLU 10 11.013 -2.661 -3.851 71 HG3 GLU 10 HG1 GLU 10 9.978 -1.916 -5.065 72 H CYS 11 HN CYS 11 11.075 0.537 -2.451 73 HA CYS 11 HA CYS 11 8.985 1.820 -4.051 74 HB2 CYS 11 HB2 CYS 11 8.357 0.076 -2.383 75 HB3 CYS 11 HB1 CYS 11 9.010 1.097 -1.119 76 H GLU 12 HN GLU 12 9.964 3.765 -4.516 77 HA GLU 12 HA GLU 12 11.461 5.286 -2.666 78 HB2 GLU 12 HB2 GLU 12 10.085 6.071 -5.230 79 HB3 GLU 12 HB1 GLU 12 11.104 7.161 -4.301 80 HG2 GLU 12 HG2 GLU 12 11.972 4.571 -5.564 81 HG3 GLU 12 HG1 GLU 12 12.332 6.193 -6.148 82 H VAL 13 HN VAL 13 8.049 5.034 -3.305 83 HA VAL 13 HA VAL 13 7.372 7.464 -2.010 84 HB VAL 13 HB VAL 13 5.807 6.533 -3.575 85 HG11 VAL 13 HG11 VAL 13 5.473 4.200 -1.712 86 HG12 VAL 13 HG12 VAL 13 6.336 4.165 -3.249 87 HG13 VAL 13 HG13 VAL 13 4.605 4.483 -3.219 88 HG21 VAL 13 HG21 VAL 13 4.640 6.344 -0.810 89 HG22 VAL 13 HG22 VAL 13 3.760 6.663 -2.304 90 HG23 VAL 13 HG23 VAL 13 4.916 7.844 -1.692 91 H CYS 14 HN CYS 14 7.750 4.116 -0.891 92 HA CYS 14 HA CYS 14 6.976 4.544 1.786 93 HB2 CYS 14 HB2 CYS 14 8.604 2.548 0.357 94 HB3 CYS 14 HB1 CYS 14 9.038 2.770 2.044 95 H ARG 15 HN ARG 15 9.884 5.223 0.022 96 HA ARG 15 HA ARG 15 11.557 5.891 2.206 97 HB2 ARG 15 HB2 ARG 15 12.450 5.337 0.014 98 HB3 ARG 15 HB1 ARG 15 11.632 6.719 -0.697 99 HG2 ARG 15 HG2 ARG 15 13.040 8.209 0.675 100 HG3 ARG 15 HG1 ARG 15 13.908 6.790 1.271 101 HD2 ARG 15 HD2 ARG 15 14.522 6.221 -1.040 102 HD3 ARG 15 HD1 ARG 15 13.692 7.668 -1.607 103 HE ARG 15 HE ARG 15 15.581 8.422 0.317 104 HH11 ARG 15 HH11 ARG 15 15.413 7.184 -2.965 105 HH12 ARG 15 HH12 ARG 15 16.976 7.799 -3.407 106 HH21 ARG 15 HH21 ARG 15 17.628 9.245 -0.275 107 HH22 ARG 15 HH22 ARG 15 18.230 8.979 -1.876 108 H ASP 16 HN ASP 16 9.408 7.771 0.136 109 HA ASP 16 HA ASP 16 9.956 10.256 1.427 110 HB2 ASP 16 HB2 ASP 16 7.932 9.325 -0.562 111 HB3 ASP 16 HB1 ASP 16 7.656 10.849 0.276 112 H GLY 17 HN GLY 17 8.379 7.602 2.563 113 HA2 GLY 17 HA2 GLY 17 7.321 7.415 4.637 114 HA3 GLY 17 HA1 GLY 17 7.137 9.164 4.671 115 H GLY 18 HN GLY 18 6.134 7.290 1.915 116 HA2 GLY 18 HA2 GLY 18 3.478 8.217 1.979 117 HA3 GLY 18 HA1 GLY 18 4.068 6.875 1.015 118 H GLU 19 HN GLU 19 1.562 7.230 2.489 119 HA GLU 19 HA GLU 19 1.743 5.240 4.616 120 HB2 GLU 19 HB2 GLU 19 -0.412 7.145 3.729 121 HB3 GLU 19 HB1 GLU 19 -0.751 5.839 4.857 122 HG2 GLU 19 HG2 GLU 19 1.297 8.008 5.281 123 HG3 GLU 19 HG1 GLU 19 -0.325 7.997 5.970 124 H LEU 20 HN LEU 20 0.404 3.400 4.660 125 HA LEU 20 HA LEU 20 -0.142 2.322 1.993 126 HB2 LEU 20 HB2 LEU 20 0.389 1.094 4.672 127 HB3 LEU 20 HB1 LEU 20 -0.411 0.163 3.420 128 HG LEU 20 HG LEU 20 2.269 1.478 2.988 129 HD11 LEU 20 HD11 LEU 20 1.662 -1.307 3.977 130 HD12 LEU 20 HD12 LEU 20 2.506 -0.038 4.859 131 HD13 LEU 20 HD13 LEU 20 3.240 -0.750 3.423 132 HD21 LEU 20 HD21 LEU 20 0.788 -0.755 1.593 133 HD22 LEU 20 HD22 LEU 20 2.435 -0.245 1.221 134 HD23 LEU 20 HD23 LEU 20 1.088 0.865 0.960 135 H PHE 21 HN PHE 21 -2.145 1.734 1.342 136 HA PHE 21 HA PHE 21 -4.336 2.122 3.278 137 HB2 PHE 21 HB2 PHE 21 -4.285 2.609 0.286 138 HB3 PHE 21 HB1 PHE 21 -5.738 2.712 1.284 139 HD1 PHE 21 HD1 PHE 21 -5.905 4.477 3.042 140 HD2 PHE 21 HD2 PHE 21 -2.689 4.347 0.249 141 HE1 PHE 21 HE1 PHE 21 -5.388 6.830 3.527 142 HE2 PHE 21 HE2 PHE 21 -2.170 6.685 0.735 143 HZ PHE 21 HZ PHE 21 -3.454 7.885 2.550 144 H CYS 22 HN CYS 22 -3.012 -0.284 3.101 145 HA CYS 22 HA CYS 22 -5.150 -2.022 2.120 146 HB2 CYS 22 HB2 CYS 22 -2.228 -2.156 1.419 147 HB3 CYS 22 HB1 CYS 22 -3.241 -3.592 1.351 148 H CYS 23 HN CYS 23 -5.027 -4.228 3.052 149 HA CYS 23 HA CYS 23 -4.411 -4.305 5.820 150 HB2 CYS 23 HB2 CYS 23 -4.674 -6.731 4.026 151 HB3 CYS 23 HB1 CYS 23 -5.022 -6.623 5.749 152 H ASP 24 HN ASP 24 -2.743 -5.756 6.823 153 HA ASP 24 HA ASP 24 -0.179 -5.294 5.909 154 HB2 ASP 24 HB2 ASP 24 -1.150 -7.601 7.609 155 HB3 ASP 24 HB1 ASP 24 0.538 -7.142 7.416 156 H THR 25 HN THR 25 -2.123 -8.229 5.448 157 HA THR 25 HA THR 25 -0.316 -9.610 3.814 158 HB THR 25 HB THR 25 -3.334 -9.753 3.714 159 HG1 THR 25 HG1 THR 25 -3.027 -10.403 5.718 160 HG21 THR 25 HG21 THR 25 -1.226 -11.784 2.961 161 HG22 THR 25 HG22 THR 25 -2.238 -10.882 1.834 162 HG23 THR 25 HG23 THR 25 -2.970 -12.048 2.935 163 H CYS 26 HN CYS 26 -2.981 -7.414 2.935 164 HA CYS 26 HA CYS 26 -2.724 -7.754 0.144 165 HB2 CYS 26 HB2 CYS 26 -3.914 -5.472 1.735 166 HB3 CYS 26 HB1 CYS 26 -4.073 -5.648 -0.010 167 H SER 27 HN SER 27 -1.330 -5.424 2.395 168 HA SER 27 HA SER 27 -0.127 -3.749 0.463 169 HB2 SER 27 HB2 SER 27 0.652 -4.210 3.348 170 HB3 SER 27 HB1 SER 27 1.197 -2.870 2.341 171 HG SER 27 HG SER 27 -0.721 -2.599 3.820 172 H ARG 28 HN ARG 28 0.841 -6.806 1.796 173 HA ARG 28 HA ARG 28 3.592 -6.495 0.996 174 HB2 ARG 28 HB2 ARG 28 2.898 -7.874 2.948 175 HB3 ARG 28 HB1 ARG 28 2.111 -8.990 1.843 176 HG2 ARG 28 HG2 ARG 28 4.277 -9.472 0.799 177 HG3 ARG 28 HG1 ARG 28 5.058 -8.374 1.939 178 HD2 ARG 28 HD2 ARG 28 5.296 -10.667 2.693 179 HD3 ARG 28 HD1 ARG 28 4.258 -9.766 3.798 180 HE ARG 28 HE ARG 28 3.221 -11.607 1.736 181 HH11 ARG 28 HH11 ARG 28 3.119 -10.247 4.968 182 HH12 ARG 28 HH12 ARG 28 1.779 -11.228 5.471 183 HH21 ARG 28 HH21 ARG 28 1.454 -12.887 2.396 184 HH22 ARG 28 HH22 ARG 28 0.822 -12.713 4.005 185 H VAL 29 HN VAL 29 0.654 -7.607 -0.405 186 HA VAL 29 HA VAL 29 2.037 -9.036 -2.542 187 HB VAL 29 HB VAL 29 -0.931 -8.692 -2.086 188 HG11 VAL 29 HG11 VAL 29 0.554 -10.533 -3.961 189 HG12 VAL 29 HG12 VAL 29 -0.362 -9.103 -4.437 190 HG13 VAL 29 HG13 VAL 29 -1.193 -10.485 -3.721 191 HG21 VAL 29 HG21 VAL 29 0.895 -11.012 -1.480 192 HG22 VAL 29 HG22 VAL 29 -0.862 -11.040 -1.355 193 HG23 VAL 29 HG23 VAL 29 0.078 -9.984 -0.304 194 H PHE 30 HN PHE 30 -0.167 -6.283 -2.127 195 HA PHE 30 HA PHE 30 0.406 -5.499 -4.911 196 HB2 PHE 30 HB2 PHE 30 -1.924 -4.603 -3.197 197 HB3 PHE 30 HB1 PHE 30 -1.700 -4.309 -4.919 198 HD1 PHE 30 HD1 PHE 30 -1.552 -6.421 -6.417 199 HD2 PHE 30 HD2 PHE 30 -3.220 -6.396 -2.501 200 HE1 PHE 30 HE1 PHE 30 -2.803 -8.469 -6.945 201 HE2 PHE 30 HE2 PHE 30 -4.470 -8.449 -3.021 202 HZ PHE 30 HZ PHE 30 -4.305 -9.473 -5.199 203 H HIS 31 HN HIS 31 2.226 -4.975 -2.883 204 HA HIS 31 HA HIS 31 2.041 -2.723 -1.354 205 HB2 HIS 31 HB2 HIS 31 3.926 -4.388 -1.452 206 HB3 HIS 31 HB1 HIS 31 4.516 -3.546 -2.878 207 HD1 HIS 31 HD1 HIS 31 3.800 -2.774 0.793 208 HD2 HIS 31 HD2 HIS 31 6.264 -1.586 -2.331 209 HE1 HIS 31 HE1 HIS 31 5.475 -1.142 1.789 210 H GLU 32 HN GLU 32 3.024 -2.869 -4.750 211 HA GLU 32 HA GLU 32 3.881 -0.193 -4.960 212 HB2 GLU 32 HB2 GLU 32 2.836 -2.044 -7.112 213 HB3 GLU 32 HB1 GLU 32 3.737 -0.561 -7.395 214 HG2 GLU 32 HG2 GLU 32 4.838 -2.882 -5.840 215 HG3 GLU 32 HG1 GLU 32 5.045 -2.698 -7.579 216 H ASP 33 HN ASP 33 0.802 -1.756 -5.723 217 HA ASP 33 HA ASP 33 -0.371 0.687 -6.716 218 HB2 ASP 33 HB2 ASP 33 -0.941 -1.662 -7.515 219 HB3 ASP 33 HB1 ASP 33 -1.826 -1.861 -6.008 220 H CYS 34 HN CYS 34 -0.167 -0.980 -3.697 221 HA CYS 34 HA CYS 34 -2.445 0.216 -2.473 222 HB2 CYS 34 HB2 CYS 34 -0.058 -1.282 -1.413 223 HB3 CYS 34 HB1 CYS 34 -1.258 -0.577 -0.330 224 H HIS 35 HN HIS 35 0.449 1.544 -3.409 225 HA HIS 35 HA HIS 35 0.395 3.582 -1.300 226 HB2 HIS 35 HB2 HIS 35 2.428 2.863 -3.396 227 HB3 HIS 35 HB1 HIS 35 2.502 4.393 -2.524 228 HD1 HIS 35 HD1 HIS 35 2.998 4.230 0.082 229 HD2 HIS 35 HD2 HIS 35 3.257 0.664 -2.036 230 HE1 HIS 35 HE1 HIS 35 4.253 2.608 1.564 231 H ILE 36 HN ILE 36 -0.177 3.107 -4.717 232 HA ILE 36 HA ILE 36 -0.641 5.994 -5.050 233 HB ILE 36 HB ILE 36 0.680 4.138 -7.037 234 HG12 ILE 36 HG12 ILE 36 1.880 6.424 -5.460 235 HG13 ILE 36 HG11 ILE 36 2.090 4.721 -5.069 236 HG21 ILE 36 HG21 ILE 36 -0.634 5.868 -8.131 237 HG22 ILE 36 HG22 ILE 36 1.091 6.162 -8.351 238 HG23 ILE 36 HG23 ILE 36 0.180 7.110 -7.177 239 HD11 ILE 36 HD11 ILE 36 4.023 5.631 -6.243 240 HD12 ILE 36 HD12 ILE 36 2.994 6.056 -7.613 241 HD13 ILE 36 HD13 ILE 36 3.236 4.362 -7.180 242 HA PRO 37 HA PRO 37 -1.612 7.385 -6.064 243 HB2 PRO 37 HB2 PRO 37 -4.038 8.587 -6.059 244 HB3 PRO 37 HB1 PRO 37 -3.151 8.237 -7.552 245 HG2 PRO 37 HG2 PRO 37 -5.437 6.765 -6.314 246 HG3 PRO 37 HG1 PRO 37 -5.113 7.104 -8.023 247 HD2 PRO 37 HD2 PRO 37 -4.600 4.694 -6.811 248 HD3 PRO 37 HD1 PRO 37 -3.745 5.285 -8.248 249 HA PRO 38 HA PRO 38 -2.383 6.982 -1.698 250 HB2 PRO 38 HB2 PRO 38 -1.401 9.716 -1.376 251 HB3 PRO 38 HB1 PRO 38 -0.685 8.201 -0.822 252 HG2 PRO 38 HG2 PRO 38 0.397 9.670 -2.822 253 HG3 PRO 38 HG1 PRO 38 0.519 7.902 -2.758 254 HD2 PRO 38 HD2 PRO 38 -1.322 9.618 -4.395 255 HD3 PRO 38 HD1 PRO 38 -0.455 8.134 -4.852 256 H VAL 39 HN VAL 39 -4.193 7.292 -0.571 257 HA VAL 39 HA VAL 39 -6.065 9.361 -1.261 258 HB VAL 39 HB VAL 39 -6.153 7.440 1.068 259 HG11 VAL 39 HG11 VAL 39 -7.616 9.326 1.408 260 HG12 VAL 39 HG12 VAL 39 -8.579 7.898 1.026 261 HG13 VAL 39 HG13 VAL 39 -8.297 9.129 -0.206 262 HG21 VAL 39 HG21 VAL 39 -7.389 7.188 -1.671 263 HG22 VAL 39 HG22 VAL 39 -7.666 6.095 -0.317 264 HG23 VAL 39 HG23 VAL 39 -6.062 6.219 -1.033 265 H GLU 40 HN GLU 40 -5.141 11.324 -0.792 266 HA GLU 40 HA GLU 40 -3.874 11.734 1.779 267 HB2 GLU 40 HB2 GLU 40 -4.264 13.600 -0.562 268 HB3 GLU 40 HB1 GLU 40 -3.396 14.021 0.906 269 HG2 GLU 40 HG2 GLU 40 -1.760 12.276 0.464 270 HG3 GLU 40 HG1 GLU 40 -2.647 11.799 -0.983 271 H ALA 41 HN ALA 41 -6.966 12.083 0.468 272 HA ALA 41 HA ALA 41 -7.958 14.228 2.007 273 HB1 ALA 41 HB1 ALA 41 -9.412 11.776 1.014 274 HB2 ALA 41 HB2 ALA 41 -9.217 13.296 0.139 275 HB3 ALA 41 HB3 ALA 41 -10.174 13.246 1.619 276 H GLU 42 HN GLU 42 -8.359 10.744 2.568 277 HA GLU 42 HA GLU 42 -8.080 11.249 5.445 278 HB2 GLU 42 HB2 GLU 42 -9.932 9.248 4.131 279 HB3 GLU 42 HB1 GLU 42 -9.673 9.409 5.864 280 HG2 GLU 42 HG2 GLU 42 -10.530 11.733 5.722 281 HG3 GLU 42 HG1 GLU 42 -10.902 11.447 4.022 282 H ARG 43 HN ARG 43 -6.014 10.600 5.719 283 HA ARG 43 HA ARG 43 -4.913 8.420 4.193 284 HB2 ARG 43 HB2 ARG 43 -3.631 9.986 6.432 285 HB3 ARG 43 HB1 ARG 43 -2.807 8.969 5.259 286 HG2 ARG 43 HG2 ARG 43 -3.599 10.506 3.468 287 HG3 ARG 43 HG1 ARG 43 -4.233 11.565 4.729 288 HD2 ARG 43 HD2 ARG 43 -1.926 11.639 5.701 289 HD3 ARG 43 HD1 ARG 43 -1.363 10.778 4.269 290 HE ARG 43 HE ARG 43 -2.840 13.207 3.737 291 HH11 ARG 43 HH11 ARG 43 0.313 11.795 4.292 292 HH12 ARG 43 HH12 ARG 43 1.170 13.088 3.517 293 HH21 ARG 43 HH21 ARG 43 -1.707 14.914 2.721 294 HH22 ARG 43 HH22 ARG 43 0.023 14.855 2.622 295 H THR 44 HN THR 44 -6.735 7.110 5.308 296 HA THR 44 HA THR 44 -6.030 6.175 7.973 297 HB THR 44 HB THR 44 -8.174 4.910 7.815 298 HG1 THR 44 HG1 THR 44 -7.956 5.027 5.337 299 HG21 THR 44 HG21 THR 44 -8.137 7.159 8.778 300 HG22 THR 44 HG22 THR 44 -9.638 6.883 7.896 301 HG23 THR 44 HG23 THR 44 -8.359 7.859 7.176 302 HA PRO 45 HA PRO 45 -3.866 2.740 5.994 303 HB2 PRO 45 HB2 PRO 45 -3.342 1.845 8.732 304 HB3 PRO 45 HB1 PRO 45 -2.199 2.338 7.479 305 HG2 PRO 45 HG2 PRO 45 -2.681 3.837 9.679 306 HG3 PRO 45 HG1 PRO 45 -2.254 4.545 8.111 307 HD2 PRO 45 HD2 PRO 45 -4.938 4.320 9.424 308 HD3 PRO 45 HD1 PRO 45 -4.249 5.663 8.483 309 H TRP 46 HN TRP 46 -6.396 2.617 8.357 310 HA TRP 46 HA TRP 46 -6.741 -0.262 8.038 311 HB2 TRP 46 HB2 TRP 46 -8.580 0.047 9.743 312 HB3 TRP 46 HB1 TRP 46 -6.966 0.468 10.303 313 HD1 TRP 46 HD1 TRP 46 -10.326 2.071 9.374 314 HE1 TRP 46 HE1 TRP 46 -10.403 4.443 10.359 315 HE3 TRP 46 HE3 TRP 46 -5.507 2.409 11.063 316 HZ2 TRP 46 HZ2 TRP 46 -8.658 6.217 11.683 317 HZ3 TRP 46 HZ3 TRP 46 -4.797 4.484 12.182 318 HH2 TRP 46 HH2 TRP 46 -6.338 6.346 12.480 319 H ASN 47 HN ASN 47 -7.173 1.439 5.788 320 HA ASN 47 HA ASN 47 -9.899 0.563 5.183 321 HB2 ASN 47 HB2 ASN 47 -9.903 3.048 5.622 322 HB3 ASN 47 HB1 ASN 47 -8.793 3.233 4.266 323 HD21 ASN 47 HD21 ASN 47 -11.496 4.308 4.613 324 HD22 ASN 47 HD22 ASN 47 -12.417 3.721 3.271 325 H CYS 48 HN CYS 48 -9.358 -1.082 3.877 326 HA CYS 48 HA CYS 48 -7.001 -0.896 2.203 327 HB2 CYS 48 HB2 CYS 48 -7.449 -2.930 3.518 328 HB3 CYS 48 HB1 CYS 48 -8.958 -3.158 2.645 329 H ILE 49 HN ILE 49 -7.059 -0.268 0.180 330 HA ILE 49 HA ILE 49 -9.548 0.185 -1.160 331 HB ILE 49 HB ILE 49 -8.058 0.829 -3.113 332 HG12 ILE 49 HG12 ILE 49 -5.889 0.550 -1.024 333 HG13 ILE 49 HG11 ILE 49 -6.087 -0.508 -2.418 334 HG21 ILE 49 HG21 ILE 49 -7.357 2.943 -2.047 335 HG22 ILE 49 HG22 ILE 49 -7.723 2.242 -0.471 336 HG23 ILE 49 HG23 ILE 49 -9.013 2.488 -1.645 337 HD11 ILE 49 HD11 ILE 49 -4.345 1.124 -2.809 338 HD12 ILE 49 HD12 ILE 49 -5.474 2.438 -2.483 339 HD13 ILE 49 HD13 ILE 49 -5.702 1.407 -3.898 340 H PHE 50 HN PHE 50 -7.206 -2.374 -1.133 341 HA PHE 50 HA PHE 50 -8.058 -3.442 -3.670 342 HB2 PHE 50 HB2 PHE 50 -5.960 -4.123 -1.727 343 HB3 PHE 50 HB1 PHE 50 -6.684 -5.506 -2.556 344 HD1 PHE 50 HD2 PHE 50 -4.768 -2.422 -2.963 345 HD2 PHE 50 HD1 PHE 50 -6.421 -5.814 -4.928 346 HE1 PHE 50 HE2 PHE 50 -3.370 -1.957 -4.931 347 HE2 PHE 50 HE1 PHE 50 -5.021 -5.366 -6.886 348 HZ PHE 50 HZ PHE 50 -3.629 -3.370 -6.977 349 H CYS 51 HN CYS 51 -8.777 -4.045 -0.289 350 HA CYS 51 HA CYS 51 -10.312 -6.390 -0.857 351 HB2 CYS 51 HB2 CYS 51 -10.023 -4.636 1.567 352 HB3 CYS 51 HB1 CYS 51 -11.316 -5.828 1.494 353 H ARG 52 HN ARG 52 -11.214 -2.995 -0.143 354 HA ARG 52 HA ARG 52 -13.938 -3.363 -0.775 355 HB2 ARG 52 HB2 ARG 52 -12.265 -0.846 -0.786 356 HB3 ARG 52 HB1 ARG 52 -14.016 -0.880 -0.935 357 HG2 ARG 52 HG2 ARG 52 -14.146 -1.951 1.291 358 HG3 ARG 52 HG1 ARG 52 -12.394 -1.788 1.435 359 HD2 ARG 52 HD2 ARG 52 -12.589 0.630 1.266 360 HD3 ARG 52 HD1 ARG 52 -14.335 0.490 1.056 361 HE ARG 52 HE ARG 52 -13.334 -0.711 3.476 362 HH11 ARG 52 HH11 ARG 52 -14.533 2.225 1.987 363 HH12 ARG 52 HH12 ARG 52 -15.039 2.931 3.488 364 HH21 ARG 52 HH21 ARG 52 -13.987 0.228 5.463 365 HH22 ARG 52 HH22 ARG 52 -14.708 1.806 5.464 366 H MET 53 HN MET 53 -11.257 -3.373 -2.783 367 HA MET 53 HA MET 53 -12.336 -2.182 -5.116 368 HB2 MET 53 HB2 MET 53 -9.955 -2.579 -4.975 369 HB3 MET 53 HB1 MET 53 -10.211 -4.307 -4.774 370 HG2 MET 53 HG2 MET 53 -9.446 -3.773 -7.014 371 HG3 MET 53 HG1 MET 53 -11.071 -4.457 -7.039 372 HE1 MET 53 HE1 MET 53 -11.388 -3.656 -9.501 373 HE2 MET 53 HE2 MET 53 -9.791 -2.912 -9.537 374 HE3 MET 53 HE3 MET 53 -11.204 -1.989 -10.044 375 H LYS 54 HN LYS 54 -12.713 -5.267 -3.598 376 HA LYS 54 HA LYS 54 -14.277 -6.247 -5.869 377 HB2 LYS 54 HB2 LYS 54 -12.513 -7.735 -4.899 378 HB3 LYS 54 HB1 LYS 54 -13.407 -7.739 -3.384 379 HG2 LYS 54 HG2 LYS 54 -13.822 -9.758 -4.693 380 HG3 LYS 54 HG1 LYS 54 -15.296 -8.811 -4.477 381 HD2 LYS 54 HD2 LYS 54 -14.974 -7.849 -6.725 382 HD3 LYS 54 HD1 LYS 54 -13.547 -8.863 -6.936 383 HE2 LYS 54 HE2 LYS 54 -14.926 -10.859 -6.719 384 HE3 LYS 54 HE1 LYS 54 -16.353 -9.856 -6.456 385 HZ1 LYS 54 HZ1 LYS 54 -16.132 -8.970 -8.665 386 HZ2 LYS 54 HZ2 LYS 54 -16.165 -10.658 -8.746 387 HZ3 LYS 54 HZ3 LYS 54 -14.701 -9.834 -8.920 388 H GLU 55 HN GLU 55 -15.766 -4.449 -5.161 389 HA GLU 55 HA GLU 55 -17.403 -5.088 -2.852 390 HB2 GLU 55 HB2 GLU 55 -18.655 -3.006 -3.539 391 HB3 GLU 55 HB1 GLU 55 -16.972 -2.766 -3.095 392 HG2 GLU 55 HG2 GLU 55 -16.331 -2.576 -5.393 393 HG3 GLU 55 HG1 GLU 55 -17.955 -3.004 -5.928 394 H SER 56 HN SER 56 -18.620 -6.836 -3.241 395 HA SER 56 HA SER 56 -20.266 -6.819 -5.678 396 HB2 SER 56 HB2 SER 56 -19.521 -9.228 -4.011 397 HB3 SER 56 HB1 SER 56 -20.295 -9.220 -5.595 398 HG SER 56 HG SER 56 -18.256 -8.033 -6.235 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 13.589 -9.829 -6.533 2 H2 GLY 1 HT2 GLY 1 12.457 -9.471 -5.331 3 H3 GLY 1 HT3 GLY 1 12.486 -8.569 -6.759 4 HA2 GLY 1 HA1 GLY 1 11.846 -10.521 -8.037 5 HA3 GLY 1 HA2 GLY 1 11.795 -11.446 -6.545 6 H ALA 2 HN ALA 2 9.813 -11.728 -5.771 7 HA ALA 2 HA ALA 2 7.957 -9.491 -5.707 8 HB1 ALA 2 HB1 ALA 2 7.518 -10.568 -7.885 9 HB2 ALA 2 HB2 ALA 2 6.143 -10.678 -6.787 10 HB3 ALA 2 HB3 ALA 2 7.178 -12.082 -7.045 11 H MET 3 HN MET 3 9.473 -11.296 -3.844 12 HA MET 3 HA MET 3 7.302 -11.687 -1.994 13 HB2 MET 3 HB2 MET 3 7.414 -13.815 -3.403 14 HB3 MET 3 HB1 MET 3 8.980 -14.105 -2.658 15 HG2 MET 3 HG2 MET 3 7.892 -14.076 -0.438 16 HG3 MET 3 HG1 MET 3 6.333 -13.892 -1.235 17 HE1 MET 3 HE1 MET 3 9.376 -16.201 -0.528 18 HE2 MET 3 HE2 MET 3 9.450 -16.118 -2.288 19 HE3 MET 3 HE3 MET 3 9.017 -17.632 -1.494 20 H GLY 4 HN GLY 4 9.351 -9.919 -1.875 21 HA2 GLY 4 HA2 GLY 4 11.429 -11.103 -0.184 22 HA3 GLY 4 HA1 GLY 4 11.457 -9.486 -0.873 23 H MET 5 HN MET 5 11.619 -10.742 1.960 24 HA MET 5 HA MET 5 9.448 -9.633 3.414 25 HB2 MET 5 HB2 MET 5 12.247 -10.370 4.303 26 HB3 MET 5 HB1 MET 5 10.962 -9.879 5.397 27 HG2 MET 5 HG2 MET 5 9.633 -11.808 4.712 28 HG3 MET 5 HG1 MET 5 10.908 -12.295 3.598 29 HE1 MET 5 HE1 MET 5 11.426 -12.226 8.189 30 HE2 MET 5 HE2 MET 5 9.954 -11.719 7.363 31 HE3 MET 5 HE3 MET 5 11.428 -10.764 7.204 32 H ARG 6 HN ARG 6 9.025 -7.586 3.843 33 HA ARG 6 HA ARG 6 9.169 -5.333 3.877 34 HB2 ARG 6 HB2 ARG 6 11.872 -6.060 4.992 35 HB3 ARG 6 HB1 ARG 6 11.308 -4.398 4.892 36 HG2 ARG 6 HG2 ARG 6 9.869 -6.594 6.361 37 HG3 ARG 6 HG1 ARG 6 10.983 -5.452 7.112 38 HD2 ARG 6 HD2 ARG 6 9.566 -3.602 6.552 39 HD3 ARG 6 HD1 ARG 6 8.522 -4.631 5.575 40 HE ARG 6 HE ARG 6 8.142 -5.809 7.848 41 HH11 ARG 6 HH11 ARG 6 8.611 -2.368 7.397 42 HH12 ARG 6 HH12 ARG 6 7.604 -1.929 8.735 43 HH21 ARG 6 HH21 ARG 6 6.820 -5.235 9.613 44 HH22 ARG 6 HH22 ARG 6 6.575 -3.560 9.998 45 H ASN 7 HN ASN 7 9.501 -6.341 1.392 46 HA ASN 7 HA ASN 7 11.791 -5.110 0.142 47 HB2 ASN 7 HB2 ASN 7 10.872 -7.187 -0.809 48 HB3 ASN 7 HB1 ASN 7 9.347 -6.366 -1.127 49 HD21 ASN 7 HD21 ASN 7 12.751 -6.491 -1.993 50 HD22 ASN 7 HD22 ASN 7 12.575 -5.741 -3.541 51 H LEU 8 HN LEU 8 11.361 -3.050 1.050 52 HA LEU 8 HA LEU 8 9.559 -1.502 -0.667 53 HB2 LEU 8 HB2 LEU 8 9.492 0.109 1.370 54 HB3 LEU 8 HB1 LEU 8 8.451 -1.300 1.344 55 HG LEU 8 HG LEU 8 10.311 -2.450 2.712 56 HD11 LEU 8 HD11 LEU 8 11.033 0.431 3.202 57 HD12 LEU 8 HD12 LEU 8 12.034 -0.764 2.379 58 HD13 LEU 8 HD13 LEU 8 11.652 -0.961 4.089 59 HD21 LEU 8 HD21 LEU 8 9.376 -1.581 4.797 60 HD22 LEU 8 HD22 LEU 8 8.118 -1.879 3.596 61 HD23 LEU 8 HD23 LEU 8 8.662 -0.232 3.914 62 H ASP 9 HN ASP 9 12.456 -2.281 -0.588 63 HA ASP 9 HA ASP 9 13.955 0.140 -0.282 64 HB2 ASP 9 HB2 ASP 9 14.614 -2.448 -1.708 65 HB3 ASP 9 HB1 ASP 9 15.751 -1.124 -1.494 66 H GLU 10 HN GLU 10 12.302 -1.520 -2.840 67 HA GLU 10 HA GLU 10 13.138 0.401 -4.855 68 HB2 GLU 10 HB2 GLU 10 11.916 -0.987 -6.427 69 HB3 GLU 10 HB1 GLU 10 12.969 -1.991 -5.443 70 HG2 GLU 10 HG2 GLU 10 11.128 -2.771 -4.140 71 HG3 GLU 10 HG1 GLU 10 10.035 -1.616 -4.901 72 H CYS 11 HN CYS 11 11.138 0.646 -2.429 73 HA CYS 11 HA CYS 11 8.893 1.788 -3.929 74 HB2 CYS 11 HB2 CYS 11 8.406 0.071 -2.174 75 HB3 CYS 11 HB1 CYS 11 9.076 1.165 -0.977 76 H GLU 12 HN GLU 12 9.765 3.715 -4.498 77 HA GLU 12 HA GLU 12 11.366 5.364 -2.909 78 HB2 GLU 12 HB2 GLU 12 9.485 6.248 -5.093 79 HB3 GLU 12 HB1 GLU 12 10.942 7.070 -4.554 80 HG2 GLU 12 HG2 GLU 12 12.290 5.186 -5.375 81 HG3 GLU 12 HG1 GLU 12 10.818 4.410 -5.958 82 H VAL 13 HN VAL 13 7.926 5.004 -3.175 83 HA VAL 13 HA VAL 13 7.304 7.436 -1.865 84 HB VAL 13 HB VAL 13 5.685 6.542 -3.363 85 HG11 VAL 13 HG11 VAL 13 4.501 4.461 -2.984 86 HG12 VAL 13 HG12 VAL 13 5.511 4.132 -1.579 87 HG13 VAL 13 HG13 VAL 13 6.228 4.186 -3.189 88 HG21 VAL 13 HG21 VAL 13 4.594 6.223 -0.581 89 HG22 VAL 13 HG22 VAL 13 3.692 6.645 -2.037 90 HG23 VAL 13 HG23 VAL 13 4.875 7.772 -1.374 91 H CYS 14 HN CYS 14 7.744 4.093 -0.731 92 HA CYS 14 HA CYS 14 6.991 4.570 1.955 93 HB2 CYS 14 HB2 CYS 14 8.563 2.513 0.551 94 HB3 CYS 14 HB1 CYS 14 8.996 2.751 2.237 95 H ARG 15 HN ARG 15 9.932 5.066 0.179 96 HA ARG 15 HA ARG 15 11.583 5.708 2.387 97 HB2 ARG 15 HB2 ARG 15 11.812 6.358 -0.551 98 HB3 ARG 15 HB1 ARG 15 13.075 6.695 0.628 99 HG2 ARG 15 HG2 ARG 15 13.502 4.437 1.005 100 HG3 ARG 15 HG1 ARG 15 11.961 3.938 0.313 101 HD2 ARG 15 HD2 ARG 15 13.872 3.415 -1.145 102 HD3 ARG 15 HD1 ARG 15 12.722 4.511 -1.899 103 HE ARG 15 HE ARG 15 14.513 6.227 -0.894 104 HH11 ARG 15 HH11 ARG 15 14.927 3.274 -2.732 105 HH12 ARG 15 HH12 ARG 15 16.370 3.820 -3.523 106 HH21 ARG 15 HH21 ARG 15 16.413 6.954 -1.952 107 HH22 ARG 15 HH22 ARG 15 17.213 5.915 -3.088 108 H ASP 16 HN ASP 16 9.571 7.592 0.226 109 HA ASP 16 HA ASP 16 10.191 10.103 1.424 110 HB2 ASP 16 HB2 ASP 16 9.346 10.063 -0.832 111 HB3 ASP 16 HB1 ASP 16 7.884 9.224 -0.325 112 H GLY 17 HN GLY 17 8.268 7.500 2.435 113 HA2 GLY 17 HA2 GLY 17 7.326 7.353 4.593 114 HA3 GLY 17 HA1 GLY 17 7.278 9.109 4.667 115 H GLY 18 HN GLY 18 6.106 7.564 1.828 116 HA2 GLY 18 HA2 GLY 18 3.532 8.669 1.989 117 HA3 GLY 18 HA1 GLY 18 4.010 7.370 0.913 118 H GLU 19 HN GLU 19 1.490 7.454 1.929 119 HA GLU 19 HA GLU 19 1.420 5.717 4.280 120 HB2 GLU 19 HB2 GLU 19 -0.665 7.418 2.926 121 HB3 GLU 19 HB1 GLU 19 -1.038 6.324 4.250 122 HG2 GLU 19 HG2 GLU 19 0.332 7.575 5.758 123 HG3 GLU 19 HG1 GLU 19 0.983 8.549 4.441 124 H LEU 20 HN LEU 20 0.213 3.835 4.331 125 HA LEU 20 HA LEU 20 -0.256 2.565 1.735 126 HB2 LEU 20 HB2 LEU 20 0.232 1.552 4.507 127 HB3 LEU 20 HB1 LEU 20 -0.599 0.530 3.352 128 HG LEU 20 HG LEU 20 2.114 1.725 2.797 129 HD11 LEU 20 HD11 LEU 20 1.452 -0.978 3.962 130 HD12 LEU 20 HD12 LEU 20 2.253 0.345 4.808 131 HD13 LEU 20 HD13 LEU 20 3.048 -0.439 3.445 132 HD21 LEU 20 HD21 LEU 20 0.591 -0.596 1.606 133 HD22 LEU 20 HD22 LEU 20 2.229 -0.118 1.169 134 HD23 LEU 20 HD23 LEU 20 0.878 0.965 0.837 135 H PHE 21 HN PHE 21 -2.270 1.964 1.075 136 HA PHE 21 HA PHE 21 -4.474 2.446 2.977 137 HB2 PHE 21 HB2 PHE 21 -4.532 2.621 -0.053 138 HB3 PHE 21 HB1 PHE 21 -5.898 2.927 1.021 139 HD1 PHE 21 HD1 PHE 21 -5.713 4.831 2.685 140 HD2 PHE 21 HD2 PHE 21 -2.998 4.335 -0.564 141 HE1 PHE 21 HE1 PHE 21 -5.010 7.169 2.914 142 HE2 PHE 21 HE2 PHE 21 -2.299 6.675 -0.332 143 HZ PHE 21 HZ PHE 21 -3.305 8.096 1.407 144 H CYS 22 HN CYS 22 -2.979 0.063 2.816 145 HA CYS 22 HA CYS 22 -5.092 -1.816 2.067 146 HB2 CYS 22 HB2 CYS 22 -2.179 -1.952 1.307 147 HB3 CYS 22 HB1 CYS 22 -3.192 -3.393 1.363 148 H CYS 23 HN CYS 23 -4.901 -3.875 3.151 149 HA CYS 23 HA CYS 23 -3.953 -3.600 5.861 150 HB2 CYS 23 HB2 CYS 23 -5.082 -5.674 6.286 151 HB3 CYS 23 HB1 CYS 23 -6.123 -4.748 5.207 152 H ASP 24 HN ASP 24 -2.672 -5.559 6.775 153 HA ASP 24 HA ASP 24 -0.124 -5.501 5.694 154 HB2 ASP 24 HB2 ASP 24 -1.439 -7.460 7.562 155 HB3 ASP 24 HB1 ASP 24 0.235 -7.660 7.064 156 H THR 25 HN THR 25 -2.666 -7.903 5.180 157 HA THR 25 HA THR 25 -1.130 -9.778 3.778 158 HB THR 25 HB THR 25 -4.081 -9.265 3.416 159 HG1 THR 25 HG1 THR 25 -2.652 -10.621 5.473 160 HG21 THR 25 HG21 THR 25 -2.431 -11.784 3.184 161 HG22 THR 25 HG22 THR 25 -3.109 -10.868 1.839 162 HG23 THR 25 HG23 THR 25 -4.180 -11.676 2.983 163 H CYS 26 HN CYS 26 -3.291 -7.213 2.508 164 HA CYS 26 HA CYS 26 -2.695 -7.885 -0.204 165 HB2 CYS 26 HB2 CYS 26 -3.969 -5.377 0.893 166 HB3 CYS 26 HB1 CYS 26 -3.943 -5.848 -0.797 167 H SER 27 HN SER 27 -1.401 -5.561 2.100 168 HA SER 27 HA SER 27 0.016 -3.940 0.285 169 HB2 SER 27 HB2 SER 27 -0.359 -3.283 2.622 170 HB3 SER 27 HB1 SER 27 0.648 -4.617 3.172 171 HG SER 27 HG SER 27 1.964 -2.873 3.156 172 H ARG 28 HN ARG 28 0.704 -7.034 1.742 173 HA ARG 28 HA ARG 28 3.444 -7.148 1.038 174 HB2 ARG 28 HB2 ARG 28 2.125 -8.550 2.760 175 HB3 ARG 28 HB1 ARG 28 1.666 -9.546 1.389 176 HG2 ARG 28 HG2 ARG 28 3.527 -10.578 2.424 177 HG3 ARG 28 HG1 ARG 28 4.101 -9.860 0.915 178 HD2 ARG 28 HD2 ARG 28 5.652 -9.440 2.772 179 HD3 ARG 28 HD1 ARG 28 4.970 -7.945 2.133 180 HE ARG 28 HE ARG 28 3.591 -9.090 4.413 181 HH11 ARG 28 HH11 ARG 28 6.016 -6.815 3.311 182 HH12 ARG 28 HH12 ARG 28 5.895 -5.817 4.726 183 HH21 ARG 28 HH21 ARG 28 3.441 -7.799 6.265 184 HH22 ARG 28 HH22 ARG 28 4.437 -6.386 6.418 185 H VAL 29 HN VAL 29 0.501 -7.739 -0.696 186 HA VAL 29 HA VAL 29 1.906 -9.237 -2.773 187 HB VAL 29 HB VAL 29 -1.053 -8.696 -2.530 188 HG11 VAL 29 HG11 VAL 29 -1.294 -10.514 -4.152 189 HG12 VAL 29 HG12 VAL 29 0.461 -10.644 -4.265 190 HG13 VAL 29 HG13 VAL 29 -0.351 -9.178 -4.816 191 HG21 VAL 29 HG21 VAL 29 -1.193 -11.065 -1.807 192 HG22 VAL 29 HG22 VAL 29 -0.357 -10.024 -0.656 193 HG23 VAL 29 HG23 VAL 29 0.568 -11.098 -1.706 194 H PHE 30 HN PHE 30 0.034 -6.262 -2.337 195 HA PHE 30 HA PHE 30 0.865 -5.436 -5.048 196 HB2 PHE 30 HB2 PHE 30 -1.683 -4.635 -3.612 197 HB3 PHE 30 HB1 PHE 30 -1.203 -4.135 -5.229 198 HD1 PHE 30 HD1 PHE 30 -0.866 -6.059 -6.961 199 HD2 PHE 30 HD2 PHE 30 -3.058 -6.449 -3.332 200 HE1 PHE 30 HE1 PHE 30 -2.066 -7.986 -7.893 201 HE2 PHE 30 HE2 PHE 30 -4.255 -8.382 -4.257 202 HZ PHE 30 HZ PHE 30 -3.759 -9.155 -6.541 203 H HIS 31 HN HIS 31 2.629 -4.895 -3.196 204 HA HIS 31 HA HIS 31 2.194 -2.879 -1.356 205 HB2 HIS 31 HB2 HIS 31 4.163 -4.398 -1.448 206 HB3 HIS 31 HB1 HIS 31 4.783 -3.454 -2.800 207 HD1 HIS 31 HD1 HIS 31 3.608 -2.622 0.756 208 HD2 HIS 31 HD2 HIS 31 6.604 -1.703 -1.971 209 HE1 HIS 31 HE1 HIS 31 5.173 -1.009 1.931 210 H GLU 32 HN GLU 32 3.404 -2.548 -4.686 211 HA GLU 32 HA GLU 32 3.919 0.239 -4.468 212 HB2 GLU 32 HB2 GLU 32 3.775 -1.717 -6.719 213 HB3 GLU 32 HB1 GLU 32 3.789 0.002 -7.081 214 HG2 GLU 32 HG2 GLU 32 5.865 -1.252 -5.325 215 HG3 GLU 32 HG1 GLU 32 6.020 -1.228 -7.081 216 H ASP 33 HN ASP 33 1.186 -1.650 -5.575 217 HA ASP 33 HA ASP 33 -0.264 0.580 -6.637 218 HB2 ASP 33 HB2 ASP 33 -1.065 -2.247 -5.952 219 HB3 ASP 33 HB1 ASP 33 -2.216 -1.069 -6.569 220 H CYS 34 HN CYS 34 0.143 -0.835 -3.539 221 HA CYS 34 HA CYS 34 -2.299 0.244 -2.448 222 HB2 CYS 34 HB2 CYS 34 0.009 -1.326 -1.324 223 HB3 CYS 34 HB1 CYS 34 -1.218 -0.621 -0.267 224 H HIS 35 HN HIS 35 0.571 1.642 -3.245 225 HA HIS 35 HA HIS 35 0.348 3.663 -1.122 226 HB2 HIS 35 HB2 HIS 35 2.509 3.122 -3.162 227 HB3 HIS 35 HB1 HIS 35 2.479 4.568 -2.157 228 HD1 HIS 35 HD1 HIS 35 3.021 4.240 0.395 229 HD2 HIS 35 HD2 HIS 35 3.241 0.790 -1.901 230 HE1 HIS 35 HE1 HIS 35 4.252 2.531 1.796 231 H ILE 36 HN ILE 36 0.474 3.267 -4.628 232 HA ILE 36 HA ILE 36 -0.802 5.897 -4.957 233 HB ILE 36 HB ILE 36 1.239 4.635 -6.801 234 HG12 ILE 36 HG12 ILE 36 1.565 6.984 -4.922 235 HG13 ILE 36 HG11 ILE 36 2.218 5.370 -4.649 236 HG21 ILE 36 HG21 ILE 36 0.022 7.394 -6.853 237 HG22 ILE 36 HG22 ILE 36 -0.376 6.075 -7.951 238 HG23 ILE 36 HG23 ILE 36 1.243 6.773 -7.962 239 HD11 ILE 36 HD11 ILE 36 3.626 5.596 -6.619 240 HD12 ILE 36 HD12 ILE 36 3.914 6.914 -5.483 241 HD13 ILE 36 HD13 ILE 36 2.949 7.193 -6.932 242 HA PRO 37 HA PRO 37 -1.870 6.975 -6.225 243 HB2 PRO 37 HB2 PRO 37 -4.350 7.631 -6.960 244 HB3 PRO 37 HB1 PRO 37 -3.106 7.256 -8.168 245 HG2 PRO 37 HG2 PRO 37 -5.351 5.555 -7.162 246 HG3 PRO 37 HG1 PRO 37 -4.713 5.712 -8.809 247 HD2 PRO 37 HD2 PRO 37 -4.085 3.666 -7.022 248 HD3 PRO 37 HD1 PRO 37 -3.136 4.105 -8.456 249 HA PRO 38 HA PRO 38 -3.656 6.801 -2.105 250 HB2 PRO 38 HB2 PRO 38 -3.484 9.750 -2.279 251 HB3 PRO 38 HB1 PRO 38 -2.784 8.653 -1.084 252 HG2 PRO 38 HG2 PRO 38 -1.244 9.854 -2.913 253 HG3 PRO 38 HG1 PRO 38 -0.932 8.183 -2.396 254 HD2 PRO 38 HD2 PRO 38 -2.257 9.177 -4.904 255 HD3 PRO 38 HD1 PRO 38 -1.101 7.842 -4.691 256 H VAL 39 HN VAL 39 -5.753 6.811 -1.476 257 HA VAL 39 HA VAL 39 -7.770 7.698 -3.274 258 HB VAL 39 HB VAL 39 -8.131 6.848 -0.404 259 HG11 VAL 39 HG11 VAL 39 -10.061 6.848 -2.718 260 HG12 VAL 39 HG12 VAL 39 -10.059 7.996 -1.382 261 HG13 VAL 39 HG13 VAL 39 -10.403 6.294 -1.080 262 HG21 VAL 39 HG21 VAL 39 -8.113 5.183 -2.914 263 HG22 VAL 39 HG22 VAL 39 -8.639 4.616 -1.331 264 HG23 VAL 39 HG23 VAL 39 -6.963 5.095 -1.581 265 H GLU 40 HN GLU 40 -8.197 9.781 -3.549 266 HA GLU 40 HA GLU 40 -7.720 11.709 -1.466 267 HB2 GLU 40 HB2 GLU 40 -8.717 11.952 -4.298 268 HB3 GLU 40 HB1 GLU 40 -8.608 13.330 -3.212 269 HG2 GLU 40 HG2 GLU 40 -6.291 11.565 -3.966 270 HG3 GLU 40 HG1 GLU 40 -6.672 13.110 -4.725 271 H ALA 41 HN ALA 41 -9.311 10.545 -0.090 272 HA ALA 41 HA ALA 41 -11.675 12.078 0.173 273 HB1 ALA 41 HB1 ALA 41 -13.334 10.310 -0.160 274 HB2 ALA 41 HB2 ALA 41 -12.061 9.215 -0.698 275 HB3 ALA 41 HB3 ALA 41 -12.454 10.643 -1.652 276 H GLU 42 HN GLU 42 -11.120 8.658 0.829 277 HA GLU 42 HA GLU 42 -11.076 9.266 3.700 278 HB2 GLU 42 HB2 GLU 42 -11.846 6.716 2.270 279 HB3 GLU 42 HB1 GLU 42 -11.795 6.919 4.015 280 HG2 GLU 42 HG2 GLU 42 -13.541 8.534 2.181 281 HG3 GLU 42 HG1 GLU 42 -14.065 7.075 3.022 282 H ARG 43 HN ARG 43 -8.839 9.670 3.775 283 HA ARG 43 HA ARG 43 -7.023 7.555 2.971 284 HB2 ARG 43 HB2 ARG 43 -6.490 10.189 4.356 285 HB3 ARG 43 HB1 ARG 43 -5.246 9.064 3.832 286 HG2 ARG 43 HG2 ARG 43 -6.262 9.337 1.495 287 HG3 ARG 43 HG1 ARG 43 -7.079 10.750 2.166 288 HD2 ARG 43 HD2 ARG 43 -4.101 10.270 2.091 289 HD3 ARG 43 HD1 ARG 43 -4.998 11.391 1.072 290 HE ARG 43 HE ARG 43 -5.582 12.177 3.618 291 HH11 ARG 43 HH11 ARG 43 -2.625 11.687 1.813 292 HH12 ARG 43 HH12 ARG 43 -1.738 12.896 2.688 293 HH21 ARG 43 HH21 ARG 43 -4.416 13.767 4.777 294 HH22 ARG 43 HH22 ARG 43 -2.757 14.073 4.378 295 H THR 44 HN THR 44 -8.504 6.287 4.540 296 HA THR 44 HA THR 44 -7.666 6.540 7.320 297 HB THR 44 HB THR 44 -9.491 4.792 7.668 298 HG1 THR 44 HG1 THR 44 -10.772 4.290 5.982 299 HG21 THR 44 HG21 THR 44 -9.855 7.150 8.166 300 HG22 THR 44 HG22 THR 44 -11.302 6.458 7.430 301 HG23 THR 44 HG23 THR 44 -10.223 7.470 6.471 302 HA PRO 45 HA PRO 45 -4.602 3.421 6.462 303 HB2 PRO 45 HB2 PRO 45 -4.331 3.251 9.388 304 HB3 PRO 45 HB1 PRO 45 -3.130 3.693 8.171 305 HG2 PRO 45 HG2 PRO 45 -4.212 5.510 9.839 306 HG3 PRO 45 HG1 PRO 45 -3.741 5.910 8.177 307 HD2 PRO 45 HD2 PRO 45 -6.460 5.408 9.312 308 HD3 PRO 45 HD1 PRO 45 -5.947 6.569 8.066 309 H TRP 46 HN TRP 46 -7.293 2.956 8.636 310 HA TRP 46 HA TRP 46 -6.707 0.110 8.903 311 HB2 TRP 46 HB2 TRP 46 -8.685 0.132 10.469 312 HB3 TRP 46 HB1 TRP 46 -7.341 1.157 10.960 313 HD1 TRP 46 HD1 TRP 46 -10.926 1.373 9.602 314 HE1 TRP 46 HE1 TRP 46 -11.825 3.740 10.042 315 HE3 TRP 46 HE3 TRP 46 -6.635 3.568 11.321 316 HZ2 TRP 46 HZ2 TRP 46 -10.850 6.206 10.999 317 HZ3 TRP 46 HZ3 TRP 46 -6.707 5.940 11.974 318 HH2 TRP 46 HH2 TRP 46 -8.766 7.228 11.811 319 H ASN 47 HN ASN 47 -7.916 1.663 6.464 320 HA ASN 47 HA ASN 47 -10.045 -0.318 6.003 321 HB2 ASN 47 HB2 ASN 47 -9.912 2.557 5.082 322 HB3 ASN 47 HB1 ASN 47 -10.992 1.380 4.349 323 HD21 ASN 47 HD21 ASN 47 -11.595 -0.017 6.796 324 HD22 ASN 47 HD22 ASN 47 -12.610 1.028 7.734 325 H CYS 48 HN CYS 48 -9.447 -1.780 4.548 326 HA CYS 48 HA CYS 48 -7.207 -1.160 2.795 327 HB2 CYS 48 HB2 CYS 48 -7.278 -3.274 4.137 328 HB3 CYS 48 HB1 CYS 48 -8.674 -3.783 3.196 329 H ILE 49 HN ILE 49 -7.505 -0.512 0.759 330 HA ILE 49 HA ILE 49 -10.129 -0.581 -0.425 331 HB ILE 49 HB ILE 49 -9.011 0.460 -2.419 332 HG12 ILE 49 HG12 ILE 49 -6.592 0.614 -0.617 333 HG13 ILE 49 HG11 ILE 49 -6.742 -0.516 -1.959 334 HG21 ILE 49 HG21 ILE 49 -8.613 2.623 -1.311 335 HG22 ILE 49 HG22 ILE 49 -8.632 1.808 0.250 336 HG23 ILE 49 HG23 ILE 49 -10.085 1.834 -0.748 337 HD11 ILE 49 HD11 ILE 49 -6.887 1.349 -3.517 338 HD12 ILE 49 HD12 ILE 49 -5.413 1.447 -2.550 339 HD13 ILE 49 HD13 ILE 49 -6.787 2.489 -2.175 340 H PHE 50 HN PHE 50 -7.238 -2.481 -0.639 341 HA PHE 50 HA PHE 50 -7.943 -3.636 -3.177 342 HB2 PHE 50 HB2 PHE 50 -5.605 -3.781 -1.424 343 HB3 PHE 50 HB1 PHE 50 -6.024 -5.325 -2.173 344 HD1 PHE 50 HD1 PHE 50 -5.979 -5.603 -4.572 345 HD2 PHE 50 HD2 PHE 50 -4.886 -1.899 -2.786 346 HE1 PHE 50 HE1 PHE 50 -4.991 -4.870 -6.701 347 HE2 PHE 50 HE2 PHE 50 -3.900 -1.160 -4.908 348 HZ PHE 50 HZ PHE 50 -3.951 -2.645 -6.873 349 H CYS 51 HN CYS 51 -8.419 -4.452 0.194 350 HA CYS 51 HA CYS 51 -9.248 -7.117 -0.178 351 HB2 CYS 51 HB2 CYS 51 -9.695 -5.040 1.900 352 HB3 CYS 51 HB1 CYS 51 -10.838 -6.378 1.863 353 H ARG 52 HN ARG 52 -10.936 -4.052 -0.596 354 HA ARG 52 HA ARG 52 -13.464 -5.366 -1.085 355 HB2 ARG 52 HB2 ARG 52 -12.736 -2.450 -1.430 356 HB3 ARG 52 HB1 ARG 52 -14.358 -3.123 -1.396 357 HG2 ARG 52 HG2 ARG 52 -14.001 -3.815 0.941 358 HG3 ARG 52 HG1 ARG 52 -12.402 -3.072 0.896 359 HD2 ARG 52 HD2 ARG 52 -15.056 -1.682 0.575 360 HD3 ARG 52 HD1 ARG 52 -13.959 -1.566 1.946 361 HE ARG 52 HE ARG 52 -13.135 -0.651 -0.724 362 HH11 ARG 52 HH11 ARG 52 -13.662 -0.016 2.687 363 HH12 ARG 52 HH12 ARG 52 -12.977 1.578 2.617 364 HH21 ARG 52 HH21 ARG 52 -12.244 1.438 -0.807 365 HH22 ARG 52 HH22 ARG 52 -12.170 2.403 0.635 366 H MET 53 HN MET 53 -10.736 -4.872 -2.854 367 HA MET 53 HA MET 53 -12.236 -5.011 -5.381 368 HB2 MET 53 HB2 MET 53 -11.122 -2.774 -4.987 369 HB3 MET 53 HB1 MET 53 -9.580 -3.612 -5.035 370 HG2 MET 53 HG2 MET 53 -10.014 -4.305 -7.327 371 HG3 MET 53 HG1 MET 53 -11.581 -3.500 -7.282 372 HE1 MET 53 HE1 MET 53 -8.156 -2.259 -5.740 373 HE2 MET 53 HE2 MET 53 -7.526 -1.297 -7.077 374 HE3 MET 53 HE3 MET 53 -7.692 -3.044 -7.248 375 H LYS 54 HN LYS 54 -11.089 -7.026 -3.561 376 HA LYS 54 HA LYS 54 -8.732 -8.091 -4.754 377 HB2 LYS 54 HB2 LYS 54 -9.448 -8.533 -2.393 378 HB3 LYS 54 HB1 LYS 54 -10.780 -9.492 -3.016 379 HG2 LYS 54 HG2 LYS 54 -9.190 -11.053 -4.027 380 HG3 LYS 54 HG1 LYS 54 -7.849 -10.098 -3.389 381 HD2 LYS 54 HD2 LYS 54 -8.752 -10.488 -1.097 382 HD3 LYS 54 HD1 LYS 54 -9.952 -11.571 -1.805 383 HE2 LYS 54 HE2 LYS 54 -6.956 -11.906 -1.948 384 HE3 LYS 54 HE1 LYS 54 -8.046 -12.809 -0.901 385 HZ1 LYS 54 HZ1 LYS 54 -7.471 -14.079 -2.855 386 HZ2 LYS 54 HZ2 LYS 54 -8.056 -12.860 -3.868 387 HZ3 LYS 54 HZ3 LYS 54 -9.122 -13.711 -2.872 388 H GLU 55 HN GLU 55 -12.130 -8.405 -5.269 389 HA GLU 55 HA GLU 55 -11.648 -10.041 -7.637 390 HB2 GLU 55 HB2 GLU 55 -12.233 -11.609 -5.837 391 HB3 GLU 55 HB1 GLU 55 -13.693 -10.691 -5.506 392 HG2 GLU 55 HG2 GLU 55 -14.413 -11.205 -7.860 393 HG3 GLU 55 HG1 GLU 55 -13.048 -12.319 -7.943 394 H SER 56 HN SER 56 -13.196 -9.701 -9.271 395 HA SER 56 HA SER 56 -15.118 -7.545 -8.716 396 HB2 SER 56 HB2 SER 56 -13.647 -8.041 -11.316 397 HB3 SER 56 HB1 SER 56 -14.772 -6.724 -10.986 398 HG SER 56 HG SER 56 -12.166 -7.136 -10.010 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 17.522 -3.572 9.708 2 H2 GLY 1 HT2 GLY 1 17.764 -4.299 11.213 3 H3 GLY 1 HT3 GLY 1 16.375 -3.377 10.932 4 HA2 GLY 1 HA1 GLY 1 17.062 -5.943 9.622 5 HA3 GLY 1 HA2 GLY 1 15.847 -5.719 10.870 6 H ALA 2 HN ALA 2 16.756 -4.409 7.697 7 HA ALA 2 HA ALA 2 14.125 -4.927 6.656 8 HB1 ALA 2 HB1 ALA 2 13.622 -2.612 6.047 9 HB2 ALA 2 HB2 ALA 2 15.068 -2.067 6.897 10 HB3 ALA 2 HB3 ALA 2 13.737 -2.792 7.798 11 H MET 3 HN MET 3 16.641 -5.903 6.000 12 HA MET 3 HA MET 3 17.023 -4.757 3.326 13 HB2 MET 3 HB2 MET 3 18.807 -3.890 4.808 14 HB3 MET 3 HB1 MET 3 19.276 -5.542 5.190 15 HG2 MET 3 HG2 MET 3 19.786 -5.908 2.798 16 HG3 MET 3 HG1 MET 3 19.411 -4.215 2.492 17 HE1 MET 3 HE1 MET 3 21.808 -3.951 1.341 18 HE2 MET 3 HE2 MET 3 22.130 -5.651 1.684 19 HE3 MET 3 HE3 MET 3 23.313 -4.421 2.130 20 H GLY 4 HN GLY 4 15.899 -6.493 2.430 21 HA2 GLY 4 HA2 GLY 4 17.033 -8.471 1.199 22 HA3 GLY 4 HA1 GLY 4 17.057 -9.161 2.814 23 H MET 5 HN MET 5 14.666 -8.529 3.842 24 HA MET 5 HA MET 5 12.879 -10.094 2.114 25 HB2 MET 5 HB2 MET 5 11.817 -10.908 4.094 26 HB3 MET 5 HB1 MET 5 13.548 -11.047 4.333 27 HG2 MET 5 HG2 MET 5 11.753 -8.923 5.488 28 HG3 MET 5 HG1 MET 5 12.459 -10.284 6.354 29 HE1 MET 5 HE1 MET 5 14.348 -7.218 7.867 30 HE2 MET 5 HE2 MET 5 13.397 -8.662 8.214 31 HE3 MET 5 HE3 MET 5 12.658 -7.302 7.370 32 H ARG 6 HN ARG 6 13.140 -7.287 1.744 33 HA ARG 6 HA ARG 6 10.456 -6.400 2.562 34 HB2 ARG 6 HB2 ARG 6 12.938 -4.683 2.391 35 HB3 ARG 6 HB1 ARG 6 11.325 -4.118 2.796 36 HG2 ARG 6 HG2 ARG 6 12.710 -6.210 4.434 37 HG3 ARG 6 HG1 ARG 6 12.995 -4.490 4.695 38 HD2 ARG 6 HD2 ARG 6 11.307 -5.221 6.231 39 HD3 ARG 6 HD1 ARG 6 10.550 -4.192 5.021 40 HE ARG 6 HE ARG 6 10.401 -7.005 4.412 41 HH11 ARG 6 HH11 ARG 6 8.903 -4.341 6.121 42 HH12 ARG 6 HH12 ARG 6 7.330 -5.074 6.153 43 HH21 ARG 6 HH21 ARG 6 8.326 -7.982 4.468 44 HH22 ARG 6 HH22 ARG 6 7.002 -7.136 5.208 45 H ASN 7 HN ASN 7 9.234 -5.495 0.993 46 HA ASN 7 HA ASN 7 10.356 -5.433 -1.714 47 HB2 ASN 7 HB2 ASN 7 8.273 -6.725 -1.306 48 HB3 ASN 7 HB1 ASN 7 7.468 -5.241 -0.814 49 HD21 ASN 7 HD21 ASN 7 9.752 -5.458 -3.479 50 HD22 ASN 7 HD22 ASN 7 8.602 -5.141 -4.728 51 H LEU 8 HN LEU 8 9.849 -3.370 0.798 52 HA LEU 8 HA LEU 8 8.903 -1.106 -0.733 53 HB2 LEU 8 HB2 LEU 8 9.029 0.096 1.444 54 HB3 LEU 8 HB1 LEU 8 7.993 -1.315 1.454 55 HG LEU 8 HG LEU 8 10.358 -2.367 2.333 56 HD11 LEU 8 HD11 LEU 8 10.112 0.381 3.539 57 HD12 LEU 8 HD12 LEU 8 11.388 -0.151 2.444 58 HD13 LEU 8 HD13 LEU 8 11.231 -0.884 4.040 59 HD21 LEU 8 HD21 LEU 8 8.135 -1.167 3.976 60 HD22 LEU 8 HD22 LEU 8 9.302 -2.361 4.542 61 HD23 LEU 8 HD23 LEU 8 8.154 -2.784 3.271 62 H ASP 9 HN ASP 9 11.720 -2.481 -0.781 63 HA ASP 9 HA ASP 9 13.492 -0.311 -0.145 64 HB2 ASP 9 HB2 ASP 9 13.893 -2.968 -1.491 65 HB3 ASP 9 HB1 ASP 9 15.186 -1.777 -1.401 66 H GLU 10 HN GLU 10 11.976 -1.587 -3.016 67 HA GLU 10 HA GLU 10 13.263 0.436 -4.684 68 HB2 GLU 10 HB2 GLU 10 11.287 -1.711 -5.471 69 HB3 GLU 10 HB1 GLU 10 12.225 -0.705 -6.566 70 HG2 GLU 10 HG2 GLU 10 13.334 -2.748 -4.654 71 HG3 GLU 10 HG1 GLU 10 13.154 -2.944 -6.397 72 H CYS 11 HN CYS 11 11.044 0.711 -2.567 73 HA CYS 11 HA CYS 11 8.967 1.968 -4.206 74 HB2 CYS 11 HB2 CYS 11 8.328 0.204 -2.578 75 HB3 CYS 11 HB1 CYS 11 8.937 1.213 -1.281 76 H GLU 12 HN GLU 12 9.812 3.942 -4.640 77 HA GLU 12 HA GLU 12 11.366 5.560 -3.010 78 HB2 GLU 12 HB2 GLU 12 9.373 6.414 -5.105 79 HB3 GLU 12 HB1 GLU 12 10.679 7.404 -4.472 80 HG2 GLU 12 HG2 GLU 12 12.320 6.136 -5.533 81 HG3 GLU 12 HG1 GLU 12 11.222 4.780 -5.804 82 H VAL 13 HN VAL 13 7.859 5.371 -3.299 83 HA VAL 13 HA VAL 13 7.342 7.674 -1.764 84 HB VAL 13 HB VAL 13 5.691 6.823 -3.310 85 HG11 VAL 13 HG11 VAL 13 6.162 4.446 -3.108 86 HG12 VAL 13 HG12 VAL 13 4.447 4.786 -2.899 87 HG13 VAL 13 HG13 VAL 13 5.451 4.440 -1.494 88 HG21 VAL 13 HG21 VAL 13 4.908 8.107 -1.379 89 HG22 VAL 13 HG22 VAL 13 4.679 6.602 -0.488 90 HG23 VAL 13 HG23 VAL 13 3.709 6.932 -1.924 91 H CYS 14 HN CYS 14 7.901 4.316 -0.901 92 HA CYS 14 HA CYS 14 7.066 4.571 1.810 93 HB2 CYS 14 HB2 CYS 14 8.504 2.562 0.220 94 HB3 CYS 14 HB1 CYS 14 8.953 2.617 1.919 95 H ARG 15 HN ARG 15 9.979 5.280 0.063 96 HA ARG 15 HA ARG 15 11.690 5.648 2.298 97 HB2 ARG 15 HB2 ARG 15 11.847 7.015 -0.391 98 HB3 ARG 15 HB1 ARG 15 13.155 6.842 0.772 99 HG2 ARG 15 HG2 ARG 15 13.148 4.436 0.451 100 HG3 ARG 15 HG1 ARG 15 11.792 4.578 -0.666 101 HD2 ARG 15 HD2 ARG 15 13.180 5.955 -2.145 102 HD3 ARG 15 HD1 ARG 15 14.537 5.761 -1.040 103 HE ARG 15 HE ARG 15 13.966 3.223 -1.570 104 HH11 ARG 15 HH11 ARG 15 14.242 5.968 -3.739 105 HH12 ARG 15 HH12 ARG 15 14.781 5.010 -5.081 106 HH21 ARG 15 HH21 ARG 15 14.665 1.966 -3.346 107 HH22 ARG 15 HH22 ARG 15 15.028 2.746 -4.859 108 H ASP 16 HN ASP 16 9.508 7.706 0.501 109 HA ASP 16 HA ASP 16 10.034 10.079 1.991 110 HB2 ASP 16 HB2 ASP 16 7.840 9.236 0.116 111 HB3 ASP 16 HB1 ASP 16 7.734 10.753 1.003 112 H GLY 17 HN GLY 17 8.530 7.245 2.864 113 HA2 GLY 17 HA2 GLY 17 7.464 6.721 4.859 114 HA3 GLY 17 HA1 GLY 17 7.421 8.438 5.247 115 H GLY 18 HN GLY 18 6.224 7.225 2.218 116 HA2 GLY 18 HA2 GLY 18 3.702 8.438 2.506 117 HA3 GLY 18 HA1 GLY 18 4.143 7.268 1.276 118 H GLU 19 HN GLU 19 1.627 7.405 2.408 119 HA GLU 19 HA GLU 19 1.432 5.413 4.503 120 HB2 GLU 19 HB2 GLU 19 -0.767 6.885 3.045 121 HB3 GLU 19 HB1 GLU 19 -0.936 5.974 4.540 122 HG2 GLU 19 HG2 GLU 19 0.599 7.599 5.630 123 HG3 GLU 19 HG1 GLU 19 0.603 8.532 4.135 124 H LEU 20 HN LEU 20 -0.116 3.653 4.298 125 HA LEU 20 HA LEU 20 -0.207 2.531 1.579 126 HB2 LEU 20 HB2 LEU 20 0.143 1.295 4.283 127 HB3 LEU 20 HB1 LEU 20 -0.582 0.357 2.993 128 HG LEU 20 HG LEU 20 2.102 1.679 2.664 129 HD11 LEU 20 HD11 LEU 20 1.486 -1.053 3.781 130 HD12 LEU 20 HD12 LEU 20 2.313 0.268 4.607 131 HD13 LEU 20 HD13 LEU 20 3.077 -0.530 3.231 132 HD21 LEU 20 HD21 LEU 20 0.722 -0.641 1.315 133 HD22 LEU 20 HD22 LEU 20 2.375 -0.128 0.996 134 HD23 LEU 20 HD23 LEU 20 1.030 0.948 0.618 135 H PHE 21 HN PHE 21 -2.192 2.057 0.737 136 HA PHE 21 HA PHE 21 -4.508 2.568 2.474 137 HB2 PHE 21 HB2 PHE 21 -4.515 2.304 -0.542 138 HB3 PHE 21 HB1 PHE 21 -5.737 3.067 0.480 139 HD1 PHE 21 HD1 PHE 21 -4.695 5.023 2.022 140 HD2 PHE 21 HD2 PHE 21 -3.141 3.698 -1.715 141 HE1 PHE 21 HE1 PHE 21 -3.535 7.164 1.748 142 HE2 PHE 21 HE2 PHE 21 -1.984 5.845 -1.996 143 HZ PHE 21 HZ PHE 21 -2.176 7.581 -0.262 144 H CYS 22 HN CYS 22 -3.007 0.197 2.638 145 HA CYS 22 HA CYS 22 -5.036 -1.780 1.947 146 HB2 CYS 22 HB2 CYS 22 -2.110 -1.868 1.233 147 HB3 CYS 22 HB1 CYS 22 -3.061 -3.343 1.387 148 H CYS 23 HN CYS 23 -4.800 -3.754 3.191 149 HA CYS 23 HA CYS 23 -3.839 -3.242 5.882 150 HB2 CYS 23 HB2 CYS 23 -5.041 -5.222 6.505 151 HB3 CYS 23 HB1 CYS 23 -6.069 -4.377 5.346 152 H ASP 24 HN ASP 24 -2.610 -5.238 6.891 153 HA ASP 24 HA ASP 24 -0.072 -5.109 5.763 154 HB2 ASP 24 HB2 ASP 24 -1.226 -7.023 7.772 155 HB3 ASP 24 HB1 ASP 24 0.458 -7.097 7.273 156 H THR 25 HN THR 25 -2.478 -7.675 5.438 157 HA THR 25 HA THR 25 -0.860 -9.515 4.077 158 HB THR 25 HB THR 25 -3.839 -9.156 3.750 159 HG1 THR 25 HG1 THR 25 -2.273 -10.122 5.851 160 HG21 THR 25 HG21 THR 25 -2.078 -11.590 3.445 161 HG22 THR 25 HG22 THR 25 -2.818 -10.685 2.125 162 HG23 THR 25 HG23 THR 25 -3.832 -11.557 3.273 163 H CYS 26 HN CYS 26 -3.119 -7.080 2.761 164 HA CYS 26 HA CYS 26 -2.565 -7.827 0.057 165 HB2 CYS 26 HB2 CYS 26 -3.895 -5.324 1.107 166 HB3 CYS 26 HB1 CYS 26 -3.927 -5.875 -0.559 167 H SER 27 HN SER 27 -1.334 -5.401 2.269 168 HA SER 27 HA SER 27 -0.044 -3.731 0.420 169 HB2 SER 27 HB2 SER 27 0.672 -4.332 3.294 170 HB3 SER 27 HB1 SER 27 1.320 -2.994 2.351 171 HG SER 27 HG SER 27 -0.499 -2.461 3.718 172 H ARG 28 HN ARG 28 0.850 -6.843 1.669 173 HA ARG 28 HA ARG 28 3.611 -6.556 0.847 174 HB2 ARG 28 HB2 ARG 28 2.039 -8.843 2.029 175 HB3 ARG 28 HB1 ARG 28 3.727 -8.987 1.554 176 HG2 ARG 28 HG2 ARG 28 4.381 -7.331 3.161 177 HG3 ARG 28 HG1 ARG 28 2.696 -6.983 3.551 178 HD2 ARG 28 HD2 ARG 28 3.686 -8.381 5.260 179 HD3 ARG 28 HD1 ARG 28 2.431 -9.268 4.399 180 HE ARG 28 HE ARG 28 4.819 -9.877 3.140 181 HH11 ARG 28 HH11 ARG 28 3.423 -10.219 6.324 182 HH12 ARG 28 HH12 ARG 28 4.303 -11.665 6.702 183 HH21 ARG 28 HH21 ARG 28 6.010 -11.776 3.635 184 HH22 ARG 28 HH22 ARG 28 5.793 -12.542 5.176 185 H VAL 29 HN VAL 29 0.658 -7.548 -0.515 186 HA VAL 29 HA VAL 29 1.950 -9.239 -2.512 187 HB VAL 29 HB VAL 29 -0.999 -8.693 -2.170 188 HG11 VAL 29 HG11 VAL 29 -0.375 -9.474 -4.401 189 HG12 VAL 29 HG12 VAL 29 -1.292 -10.700 -3.528 190 HG13 VAL 29 HG13 VAL 29 0.457 -10.855 -3.687 191 HG21 VAL 29 HG21 VAL 29 -0.132 -9.750 -0.169 192 HG22 VAL 29 HG22 VAL 29 0.659 -10.990 -1.143 193 HG23 VAL 29 HG23 VAL 29 -1.101 -10.895 -1.092 194 H PHE 30 HN PHE 30 -0.083 -6.316 -2.325 195 HA PHE 30 HA PHE 30 0.708 -5.717 -5.111 196 HB2 PHE 30 HB2 PHE 30 -1.820 -4.775 -3.737 197 HB3 PHE 30 HB1 PHE 30 -1.399 -4.580 -5.436 198 HD1 PHE 30 HD1 PHE 30 -1.049 -6.823 -6.771 199 HD2 PHE 30 HD2 PHE 30 -3.188 -6.501 -3.102 200 HE1 PHE 30 HE1 PHE 30 -2.238 -8.914 -7.280 201 HE2 PHE 30 HE2 PHE 30 -4.374 -8.593 -3.604 202 HZ PHE 30 HZ PHE 30 -3.900 -9.804 -5.697 203 H HIS 31 HN HIS 31 2.372 -5.040 -3.131 204 HA HIS 31 HA HIS 31 2.034 -2.839 -1.564 205 HB2 HIS 31 HB2 HIS 31 4.006 -4.370 -1.625 206 HB3 HIS 31 HB1 HIS 31 4.575 -3.516 -3.053 207 HD1 HIS 31 HD1 HIS 31 3.673 -2.639 0.557 208 HD2 HIS 31 HD2 HIS 31 6.314 -1.568 -2.463 209 HE1 HIS 31 HE1 HIS 31 5.273 -0.961 1.577 210 H GLU 32 HN GLU 32 3.118 -2.794 -4.953 211 HA GLU 32 HA GLU 32 3.769 -0.051 -5.004 212 HB2 GLU 32 HB2 GLU 32 4.627 -1.654 -6.655 213 HB3 GLU 32 HB1 GLU 32 3.001 -1.883 -7.283 214 HG2 GLU 32 HG2 GLU 32 2.972 0.552 -7.857 215 HG3 GLU 32 HG1 GLU 32 4.677 0.611 -7.411 216 H ASP 33 HN ASP 33 0.825 -1.804 -5.887 217 HA ASP 33 HA ASP 33 -0.492 0.526 -6.925 218 HB2 ASP 33 HB2 ASP 33 -0.930 -1.920 -7.572 219 HB3 ASP 33 HB1 ASP 33 -1.837 -2.033 -6.071 220 H CYS 34 HN CYS 34 -0.143 -1.008 -3.866 221 HA CYS 34 HA CYS 34 -2.438 0.133 -2.610 222 HB2 CYS 34 HB2 CYS 34 0.028 -1.271 -1.594 223 HB3 CYS 34 HB1 CYS 34 -1.171 -0.592 -0.494 224 H HIS 35 HN HIS 35 0.377 1.538 -3.660 225 HA HIS 35 HA HIS 35 0.272 3.640 -1.609 226 HB2 HIS 35 HB2 HIS 35 2.332 2.947 -3.695 227 HB3 HIS 35 HB1 HIS 35 2.363 4.473 -2.813 228 HD1 HIS 35 HD1 HIS 35 2.816 4.293 -0.186 229 HD2 HIS 35 HD2 HIS 35 3.207 0.753 -2.330 230 HE1 HIS 35 HE1 HIS 35 4.087 2.694 1.306 231 H ILE 36 HN ILE 36 -1.211 2.948 -4.405 232 HA ILE 36 HA ILE 36 -1.198 5.735 -5.367 233 HB ILE 36 HB ILE 36 -1.724 3.208 -6.949 234 HG12 ILE 36 HG12 ILE 36 0.637 5.106 -7.000 235 HG13 ILE 36 HG11 ILE 36 0.642 3.478 -6.333 236 HG21 ILE 36 HG21 ILE 36 -1.530 6.064 -7.899 237 HG22 ILE 36 HG22 ILE 36 -3.015 5.123 -7.763 238 HG23 ILE 36 HG23 ILE 36 -1.768 4.642 -8.913 239 HD11 ILE 36 HD11 ILE 36 0.210 4.195 -9.225 240 HD12 ILE 36 HD12 ILE 36 0.222 2.563 -8.558 241 HD13 ILE 36 HD13 ILE 36 1.691 3.539 -8.522 242 HA PRO 37 HA PRO 37 -2.452 7.176 -6.484 243 HB2 PRO 37 HB2 PRO 37 -4.282 8.935 -5.012 244 HB3 PRO 37 HB1 PRO 37 -4.049 8.784 -6.762 245 HG2 PRO 37 HG2 PRO 37 -6.299 7.937 -5.538 246 HG3 PRO 37 HG1 PRO 37 -5.627 7.111 -6.958 247 HD2 PRO 37 HD2 PRO 37 -5.399 6.374 -4.052 248 HD3 PRO 37 HD1 PRO 37 -5.739 5.329 -5.453 249 HA PRO 38 HA PRO 38 0.355 7.790 -3.142 250 HB2 PRO 38 HB2 PRO 38 1.456 10.165 -4.103 251 HB3 PRO 38 HB1 PRO 38 2.003 8.533 -4.500 252 HG2 PRO 38 HG2 PRO 38 0.229 10.373 -6.040 253 HG3 PRO 38 HG1 PRO 38 1.438 9.219 -6.633 254 HD2 PRO 38 HD2 PRO 38 -1.196 8.691 -6.776 255 HD3 PRO 38 HD1 PRO 38 -0.011 7.407 -6.439 256 H VAL 39 HN VAL 39 0.665 9.049 -1.327 257 HA VAL 39 HA VAL 39 -1.658 10.385 -0.419 258 HB VAL 39 HB VAL 39 1.080 10.259 0.845 259 HG11 VAL 39 HG11 VAL 39 -0.087 10.718 2.946 260 HG12 VAL 39 HG12 VAL 39 -1.593 10.931 2.052 261 HG13 VAL 39 HG13 VAL 39 -0.249 12.045 1.796 262 HG21 VAL 39 HG21 VAL 39 0.121 8.046 0.424 263 HG22 VAL 39 HG22 VAL 39 -1.333 8.522 1.301 264 HG23 VAL 39 HG23 VAL 39 0.209 8.411 2.143 265 H GLU 40 HN GLU 40 -2.215 12.435 -0.660 266 HA GLU 40 HA GLU 40 -0.151 14.383 -1.389 267 HB2 GLU 40 HB2 GLU 40 -3.163 14.567 -1.623 268 HB3 GLU 40 HB1 GLU 40 -2.023 15.792 -2.158 269 HG2 GLU 40 HG2 GLU 40 -1.133 14.325 -3.826 270 HG3 GLU 40 HG1 GLU 40 -2.091 12.979 -3.215 271 H ALA 41 HN ALA 41 -2.822 13.842 0.866 272 HA ALA 41 HA ALA 41 -1.447 15.383 2.881 273 HB1 ALA 41 HB1 ALA 41 -3.318 16.905 3.316 274 HB2 ALA 41 HB2 ALA 41 -4.161 16.266 1.908 275 HB3 ALA 41 HB3 ALA 41 -2.648 17.146 1.704 276 H GLU 42 HN GLU 42 -1.852 12.756 2.948 277 HA GLU 42 HA GLU 42 -2.614 11.022 4.199 278 HB2 GLU 42 HB2 GLU 42 -3.920 13.183 5.854 279 HB3 GLU 42 HB1 GLU 42 -3.736 11.501 6.334 280 HG2 GLU 42 HG2 GLU 42 -1.315 11.739 6.271 281 HG3 GLU 42 HG1 GLU 42 -1.486 13.421 5.767 282 H ARG 43 HN ARG 43 -4.106 9.598 3.548 283 HA ARG 43 HA ARG 43 -6.879 10.445 3.356 284 HB2 ARG 43 HB2 ARG 43 -7.080 9.482 1.030 285 HB3 ARG 43 HB1 ARG 43 -6.264 11.030 1.166 286 HG2 ARG 43 HG2 ARG 43 -4.118 9.985 0.893 287 HG3 ARG 43 HG1 ARG 43 -4.854 8.381 0.937 288 HD2 ARG 43 HD2 ARG 43 -5.397 10.493 -1.146 289 HD3 ARG 43 HD1 ARG 43 -4.310 9.121 -1.355 290 HE ARG 43 HE ARG 43 -6.651 7.952 -0.659 291 HH11 ARG 43 HH11 ARG 43 -5.750 10.260 -3.129 292 HH12 ARG 43 HH12 ARG 43 -7.002 9.768 -4.224 293 HH21 ARG 43 HH21 ARG 43 -8.291 7.290 -2.106 294 HH22 ARG 43 HH22 ARG 43 -8.446 8.087 -3.643 295 H THR 44 HN THR 44 -7.238 9.048 5.006 296 HA THR 44 HA THR 44 -7.816 7.117 6.046 297 HB THR 44 HB THR 44 -9.113 5.508 4.597 298 HG1 THR 44 HG1 THR 44 -7.792 6.558 2.653 299 HG21 THR 44 HG21 THR 44 -9.844 8.431 4.416 300 HG22 THR 44 HG22 THR 44 -10.177 7.370 5.782 301 HG23 THR 44 HG23 THR 44 -10.954 7.076 4.228 302 HA PRO 45 HA PRO 45 -4.174 4.522 4.907 303 HB2 PRO 45 HB2 PRO 45 -3.281 4.868 7.637 304 HB3 PRO 45 HB1 PRO 45 -2.489 5.387 6.146 305 HG2 PRO 45 HG2 PRO 45 -3.547 7.122 7.977 306 HG3 PRO 45 HG1 PRO 45 -3.388 7.489 6.249 307 HD2 PRO 45 HD2 PRO 45 -5.802 6.582 7.784 308 HD3 PRO 45 HD1 PRO 45 -5.679 7.816 6.505 309 H TRP 46 HN TRP 46 -6.594 4.520 7.334 310 HA TRP 46 HA TRP 46 -6.021 1.748 8.107 311 HB2 TRP 46 HB2 TRP 46 -7.944 2.243 9.783 312 HB3 TRP 46 HB1 TRP 46 -6.377 2.999 10.064 313 HD1 TRP 46 HD1 TRP 46 -9.918 3.862 8.803 314 HE1 TRP 46 HE1 TRP 46 -10.264 6.400 9.043 315 HE3 TRP 46 HE3 TRP 46 -5.197 5.201 10.265 316 HZ2 TRP 46 HZ2 TRP 46 -8.744 8.660 9.742 317 HZ3 TRP 46 HZ3 TRP 46 -4.733 7.580 10.698 318 HH2 TRP 46 HH2 TRP 46 -6.468 9.269 10.440 319 H ASN 47 HN ASN 47 -6.876 2.145 5.539 320 HA ASN 47 HA ASN 47 -9.437 0.750 5.538 321 HB2 ASN 47 HB2 ASN 47 -10.079 3.082 5.178 322 HB3 ASN 47 HB1 ASN 47 -8.851 3.261 3.933 323 HD21 ASN 47 HD21 ASN 47 -11.972 1.909 4.707 324 HD22 ASN 47 HD22 ASN 47 -12.439 1.571 3.076 325 H CYS 48 HN CYS 48 -9.242 -1.012 4.208 326 HA CYS 48 HA CYS 48 -6.946 -0.989 2.390 327 HB2 CYS 48 HB2 CYS 48 -7.202 -2.880 4.083 328 HB3 CYS 48 HB1 CYS 48 -8.608 -3.408 3.161 329 H ILE 49 HN ILE 49 -7.289 -0.645 0.310 330 HA ILE 49 HA ILE 49 -9.984 -0.598 -0.714 331 HB ILE 49 HB ILE 49 -8.833 0.065 -2.891 332 HG12 ILE 49 HG12 ILE 49 -6.446 0.358 -1.066 333 HG13 ILE 49 HG11 ILE 49 -6.607 -0.882 -2.305 334 HG21 ILE 49 HG21 ILE 49 -9.891 1.701 -1.475 335 HG22 ILE 49 HG22 ILE 49 -8.372 2.356 -2.085 336 HG23 ILE 49 HG23 ILE 49 -8.473 1.764 -0.428 337 HD11 ILE 49 HD11 ILE 49 -5.205 0.959 -3.053 338 HD12 ILE 49 HD12 ILE 49 -6.530 2.092 -2.776 339 HD13 ILE 49 HD13 ILE 49 -6.677 0.851 -4.020 340 H PHE 50 HN PHE 50 -7.369 -2.826 -0.729 341 HA PHE 50 HA PHE 50 -8.254 -4.149 -3.152 342 HB2 PHE 50 HB2 PHE 50 -5.926 -4.533 -1.327 343 HB3 PHE 50 HB1 PHE 50 -6.469 -5.908 -2.298 344 HD1 PHE 50 HD2 PHE 50 -5.129 -2.486 -2.428 345 HD2 PHE 50 HD1 PHE 50 -6.192 -5.945 -4.662 346 HE1 PHE 50 HE2 PHE 50 -3.985 -1.563 -4.394 347 HE2 PHE 50 HE1 PHE 50 -5.049 -5.027 -6.635 348 HZ PHE 50 HZ PHE 50 -3.945 -2.831 -6.504 349 H CYS 51 HN CYS 51 -8.558 -4.513 0.299 350 HA CYS 51 HA CYS 51 -9.625 -7.128 0.295 351 HB2 CYS 51 HB2 CYS 51 -9.548 -4.860 2.210 352 HB3 CYS 51 HB1 CYS 51 -10.779 -6.087 2.479 353 H ARG 52 HN ARG 52 -10.978 -4.044 -0.530 354 HA ARG 52 HA ARG 52 -13.678 -5.147 -0.395 355 HB2 ARG 52 HB2 ARG 52 -12.731 -2.295 -0.717 356 HB3 ARG 52 HB1 ARG 52 -14.412 -2.799 -0.658 357 HG2 ARG 52 HG2 ARG 52 -14.100 -3.624 1.616 358 HG3 ARG 52 HG1 ARG 52 -12.400 -3.154 1.556 359 HD2 ARG 52 HD2 ARG 52 -13.821 -1.519 2.744 360 HD3 ARG 52 HD1 ARG 52 -13.002 -0.833 1.342 361 HE ARG 52 HE ARG 52 -15.397 -1.565 0.336 362 HH11 ARG 52 HH11 ARG 52 -14.557 0.229 3.220 363 HH12 ARG 52 HH12 ARG 52 -15.913 1.305 3.099 364 HH21 ARG 52 HH21 ARG 52 -17.198 -0.170 0.185 365 HH22 ARG 52 HH22 ARG 52 -17.421 1.073 1.377 366 H MET 53 HN MET 53 -11.475 -5.515 -2.526 367 HA MET 53 HA MET 53 -12.294 -4.298 -4.898 368 HB2 MET 53 HB2 MET 53 -11.067 -5.999 -6.082 369 HB3 MET 53 HB1 MET 53 -10.172 -5.570 -4.634 370 HG2 MET 53 HG2 MET 53 -10.790 -7.586 -3.548 371 HG3 MET 53 HG1 MET 53 -11.977 -7.969 -4.793 372 HE1 MET 53 HE1 MET 53 -8.189 -7.696 -3.878 373 HE2 MET 53 HE2 MET 53 -8.284 -6.601 -5.257 374 HE3 MET 53 HE3 MET 53 -7.401 -8.121 -5.396 375 H LYS 54 HN LYS 54 -13.606 -7.038 -3.198 376 HA LYS 54 HA LYS 54 -15.400 -8.379 -3.539 377 HB2 LYS 54 HB2 LYS 54 -16.437 -6.145 -3.154 378 HB3 LYS 54 HB1 LYS 54 -16.493 -5.909 -4.893 379 HG2 LYS 54 HG2 LYS 54 -17.973 -7.855 -5.107 380 HG3 LYS 54 HG1 LYS 54 -17.947 -8.053 -3.353 381 HD2 LYS 54 HD2 LYS 54 -18.887 -5.780 -3.119 382 HD3 LYS 54 HD1 LYS 54 -18.992 -5.667 -4.877 383 HE2 LYS 54 HE2 LYS 54 -20.484 -7.625 -4.887 384 HE3 LYS 54 HE1 LYS 54 -20.402 -7.680 -3.126 385 HZ1 LYS 54 HZ1 LYS 54 -22.396 -6.563 -3.833 386 HZ2 LYS 54 HZ2 LYS 54 -21.508 -5.459 -4.756 387 HZ3 LYS 54 HZ3 LYS 54 -21.374 -5.450 -3.072 388 H GLU 55 HN GLU 55 -14.054 -9.627 -5.066 389 HA GLU 55 HA GLU 55 -15.370 -9.716 -7.679 390 HB2 GLU 55 HB2 GLU 55 -12.400 -9.717 -7.201 391 HB3 GLU 55 HB1 GLU 55 -13.115 -10.355 -8.671 392 HG2 GLU 55 HG2 GLU 55 -14.193 -8.096 -8.981 393 HG3 GLU 55 HG1 GLU 55 -13.156 -7.525 -7.673 394 H SER 56 HN SER 56 -16.022 -11.692 -8.209 395 HA SER 56 HA SER 56 -15.514 -13.906 -6.485 396 HB2 SER 56 HB2 SER 56 -16.826 -15.147 -8.299 397 HB3 SER 56 HB1 SER 56 -17.664 -13.821 -7.496 398 HG SER 56 HG SER 56 -16.238 -13.498 -9.926 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 6.278 -16.033 6.967 2 H2 GLY 1 HT2 GLY 1 7.758 -15.843 7.759 3 H3 GLY 1 HT3 GLY 1 7.709 -16.530 6.216 4 HA2 GLY 1 HA1 GLY 1 8.482 -14.260 6.093 5 HA3 GLY 1 HA2 GLY 1 6.939 -14.455 5.276 6 H ALA 2 HN ALA 2 5.842 -12.644 5.551 7 HA ALA 2 HA ALA 2 4.654 -10.978 6.518 8 HB1 ALA 2 HB1 ALA 2 4.042 -11.100 8.882 9 HB2 ALA 2 HB2 ALA 2 5.213 -12.397 9.121 10 HB3 ALA 2 HB3 ALA 2 3.816 -12.651 8.077 11 H MET 3 HN MET 3 7.086 -11.567 9.046 12 HA MET 3 HA MET 3 7.829 -8.740 8.894 13 HB2 MET 3 HB2 MET 3 7.257 -9.810 11.095 14 HB3 MET 3 HB1 MET 3 8.674 -10.829 10.914 15 HG2 MET 3 HG2 MET 3 10.110 -8.854 10.939 16 HG3 MET 3 HG1 MET 3 8.689 -7.824 11.106 17 HE1 MET 3 HE1 MET 3 11.295 -7.876 13.031 18 HE2 MET 3 HE2 MET 3 10.529 -7.680 14.607 19 HE3 MET 3 HE3 MET 3 9.969 -6.730 13.230 20 H GLY 4 HN GLY 4 8.567 -10.905 6.955 21 HA2 GLY 4 HA2 GLY 4 11.496 -10.556 7.103 22 HA3 GLY 4 HA1 GLY 4 10.761 -12.059 6.559 23 H MET 5 HN MET 5 9.598 -8.845 5.785 24 HA MET 5 HA MET 5 10.542 -9.204 3.028 25 HB2 MET 5 HB2 MET 5 8.147 -9.819 3.168 26 HB3 MET 5 HB1 MET 5 7.790 -8.227 3.820 27 HG2 MET 5 HG2 MET 5 8.590 -7.204 1.741 28 HG3 MET 5 HG1 MET 5 8.916 -8.807 1.089 29 HE1 MET 5 HE1 MET 5 5.311 -10.322 0.851 30 HE2 MET 5 HE2 MET 5 6.394 -10.449 2.236 31 HE3 MET 5 HE3 MET 5 7.033 -10.605 0.601 32 H ARG 6 HN ARG 6 12.229 -7.763 3.761 33 HA ARG 6 HA ARG 6 11.355 -4.993 4.135 34 HB2 ARG 6 HB2 ARG 6 14.077 -6.261 4.460 35 HB3 ARG 6 HB1 ARG 6 13.747 -4.549 4.672 36 HG2 ARG 6 HG2 ARG 6 12.477 -6.746 6.292 37 HG3 ARG 6 HG1 ARG 6 13.888 -5.815 6.793 38 HD2 ARG 6 HD2 ARG 6 11.993 -4.844 7.856 39 HD3 ARG 6 HD1 ARG 6 12.481 -3.744 6.569 40 HE ARG 6 HE ARG 6 10.429 -5.623 5.804 41 HH11 ARG 6 HH11 ARG 6 11.058 -2.502 7.263 42 HH12 ARG 6 HH12 ARG 6 9.500 -1.858 6.850 43 HH21 ARG 6 HH21 ARG 6 8.386 -4.770 5.250 44 HH22 ARG 6 HH22 ARG 6 7.986 -3.143 5.713 45 H ASN 7 HN ASN 7 10.643 -4.869 1.924 46 HA ASN 7 HA ASN 7 12.871 -4.134 0.177 47 HB2 ASN 7 HB2 ASN 7 12.084 -6.416 -0.464 48 HB3 ASN 7 HB1 ASN 7 10.501 -5.721 -0.813 49 HD21 ASN 7 HD21 ASN 7 10.574 -6.207 -3.012 50 HD22 ASN 7 HD22 ASN 7 11.636 -5.387 -4.108 51 H LEU 8 HN LEU 8 11.709 -2.227 1.487 52 HA LEU 8 HA LEU 8 9.798 -1.022 -0.378 53 HB2 LEU 8 HB2 LEU 8 9.671 0.819 1.359 54 HB3 LEU 8 HB1 LEU 8 8.992 -0.733 1.803 55 HG LEU 8 HG LEU 8 11.250 -1.155 2.983 56 HD11 LEU 8 HD11 LEU 8 12.439 0.807 3.734 57 HD12 LEU 8 HD12 LEU 8 11.353 1.851 2.820 58 HD13 LEU 8 HD13 LEU 8 12.438 0.751 1.971 59 HD21 LEU 8 HD21 LEU 8 10.450 -0.041 4.999 60 HD22 LEU 8 HD22 LEU 8 9.129 -0.824 4.131 61 HD23 LEU 8 HD23 LEU 8 9.339 0.925 4.029 62 H ASP 9 HN ASP 9 12.714 -1.540 -0.629 63 HA ASP 9 HA ASP 9 13.960 1.065 -0.739 64 HB2 ASP 9 HB2 ASP 9 14.906 -1.679 -1.569 65 HB3 ASP 9 HB1 ASP 9 15.868 -0.224 -1.801 66 H GLU 10 HN GLU 10 12.221 -1.039 -2.816 67 HA GLU 10 HA GLU 10 12.978 0.434 -5.209 68 HB2 GLU 10 HB2 GLU 10 10.982 -1.816 -4.879 69 HB3 GLU 10 HB1 GLU 10 11.550 -1.150 -6.403 70 HG2 GLU 10 HG2 GLU 10 13.833 -1.899 -5.841 71 HG3 GLU 10 HG1 GLU 10 13.196 -2.646 -4.377 72 H CYS 11 HN CYS 11 11.002 0.902 -2.692 73 HA CYS 11 HA CYS 11 8.835 2.128 -4.243 74 HB2 CYS 11 HB2 CYS 11 8.312 0.403 -2.464 75 HB3 CYS 11 HB1 CYS 11 8.907 1.555 -1.281 76 H GLU 12 HN GLU 12 9.811 4.055 -4.783 77 HA GLU 12 HA GLU 12 11.460 5.593 -3.125 78 HB2 GLU 12 HB2 GLU 12 9.700 6.569 -5.373 79 HB3 GLU 12 HB1 GLU 12 11.122 7.380 -4.734 80 HG2 GLU 12 HG2 GLU 12 12.537 5.571 -5.533 81 HG3 GLU 12 HG1 GLU 12 11.118 4.715 -6.136 82 H VAL 13 HN VAL 13 8.016 5.493 -3.555 83 HA VAL 13 HA VAL 13 7.423 7.903 -2.216 84 HB VAL 13 HB VAL 13 5.804 6.954 -3.714 85 HG11 VAL 13 HG11 VAL 13 4.642 4.894 -3.313 86 HG12 VAL 13 HG12 VAL 13 5.529 4.641 -1.814 87 HG13 VAL 13 HG13 VAL 13 6.374 4.587 -3.360 88 HG21 VAL 13 HG21 VAL 13 3.787 6.975 -2.315 89 HG22 VAL 13 HG22 VAL 13 4.894 8.287 -1.916 90 HG23 VAL 13 HG23 VAL 13 4.803 6.865 -0.878 91 H CYS 14 HN CYS 14 7.909 4.605 -1.074 92 HA CYS 14 HA CYS 14 7.000 5.077 1.571 93 HB2 CYS 14 HB2 CYS 14 8.419 2.923 0.186 94 HB3 CYS 14 HB1 CYS 14 8.815 3.081 1.893 95 H ARG 15 HN ARG 15 9.977 5.677 -0.066 96 HA ARG 15 HA ARG 15 11.605 6.145 2.199 97 HB2 ARG 15 HB2 ARG 15 11.727 7.254 -0.603 98 HB3 ARG 15 HB1 ARG 15 12.957 7.566 0.613 99 HG2 ARG 15 HG2 ARG 15 13.550 5.264 0.714 100 HG3 ARG 15 HG1 ARG 15 12.173 4.810 -0.291 101 HD2 ARG 15 HD2 ARG 15 14.273 4.813 -1.558 102 HD3 ARG 15 HD1 ARG 15 13.129 6.001 -2.175 103 HE ARG 15 HE ARG 15 14.885 7.188 -0.293 104 HH11 ARG 15 HH11 ARG 15 14.802 5.975 -3.579 105 HH12 ARG 15 HH12 ARG 15 16.017 7.073 -4.152 106 HH21 ARG 15 HH21 ARG 15 16.497 8.632 -1.051 107 HH22 ARG 15 HH22 ARG 15 16.984 8.576 -2.715 108 H ASP 16 HN ASP 16 9.391 8.137 0.370 109 HA ASP 16 HA ASP 16 9.869 10.495 1.944 110 HB2 ASP 16 HB2 ASP 16 7.878 9.759 -0.184 111 HB3 ASP 16 HB1 ASP 16 7.716 11.258 0.727 112 H GLY 17 HN GLY 17 8.367 7.679 2.685 113 HA2 GLY 17 HA2 GLY 17 7.437 7.852 5.050 114 HA3 GLY 17 HA1 GLY 17 6.294 8.982 4.331 115 H GLY 18 HN GLY 18 5.828 7.703 1.944 116 HA2 GLY 18 HA2 GLY 18 4.280 6.262 1.042 117 HA3 GLY 18 HA1 GLY 18 5.222 5.039 1.861 118 H GLU 19 HN GLU 19 2.309 6.951 1.929 119 HA GLU 19 HA GLU 19 1.389 5.721 4.382 120 HB2 GLU 19 HB2 GLU 19 -0.014 7.497 2.376 121 HB3 GLU 19 HB1 GLU 19 -0.725 6.935 3.884 122 HG2 GLU 19 HG2 GLU 19 1.749 8.641 3.676 123 HG3 GLU 19 HG1 GLU 19 0.128 9.249 4.003 124 H LEU 20 HN LEU 20 0.438 3.797 4.457 125 HA LEU 20 HA LEU 20 -0.353 2.523 1.942 126 HB2 LEU 20 HB2 LEU 20 0.473 1.462 4.619 127 HB3 LEU 20 HB1 LEU 20 -0.384 0.446 3.478 128 HG LEU 20 HG LEU 20 2.220 1.829 2.828 129 HD11 LEU 20 HD11 LEU 20 1.745 -0.992 3.784 130 HD12 LEU 20 HD12 LEU 20 2.558 0.287 4.685 131 HD13 LEU 20 HD13 LEU 20 3.280 -0.344 3.206 132 HD21 LEU 20 HD21 LEU 20 0.920 1.201 0.873 133 HD22 LEU 20 HD22 LEU 20 0.702 -0.429 1.511 134 HD23 LEU 20 HD23 LEU 20 2.308 0.125 1.041 135 H PHE 21 HN PHE 21 -2.372 1.802 1.571 136 HA PHE 21 HA PHE 21 -4.343 2.085 3.747 137 HB2 PHE 21 HB2 PHE 21 -4.737 2.713 0.805 138 HB3 PHE 21 HB1 PHE 21 -6.000 2.786 2.036 139 HD1 PHE 21 HD1 PHE 21 -5.665 4.391 3.986 140 HD2 PHE 21 HD2 PHE 21 -3.343 4.558 0.414 141 HE1 PHE 21 HE1 PHE 21 -5.006 6.691 4.521 142 HE2 PHE 21 HE2 PHE 21 -2.693 6.864 0.946 143 HZ PHE 21 HZ PHE 21 -3.523 7.936 3.002 144 H CYS 22 HN CYS 22 -3.001 -0.247 3.327 145 HA CYS 22 HA CYS 22 -5.130 -1.993 2.296 146 HB2 CYS 22 HB2 CYS 22 -2.157 -2.318 1.836 147 HB3 CYS 22 HB1 CYS 22 -3.400 -3.450 1.310 148 H CYS 23 HN CYS 23 -5.153 -4.140 3.234 149 HA CYS 23 HA CYS 23 -4.429 -4.378 5.956 150 HB2 CYS 23 HB2 CYS 23 -4.801 -6.720 4.076 151 HB3 CYS 23 HB1 CYS 23 -5.114 -6.667 5.807 152 H ASP 24 HN ASP 24 -2.794 -5.921 6.844 153 HA ASP 24 HA ASP 24 -0.234 -5.588 5.906 154 HB2 ASP 24 HB2 ASP 24 -1.326 -7.953 7.444 155 HB3 ASP 24 HB1 ASP 24 0.384 -7.585 7.251 156 H THR 25 HN THR 25 -2.282 -8.449 5.355 157 HA THR 25 HA THR 25 -0.563 -9.782 3.616 158 HB THR 25 HB THR 25 -3.580 -9.861 3.547 159 HG1 THR 25 HG1 THR 25 -3.430 -10.833 5.415 160 HG21 THR 25 HG21 THR 25 -3.249 -12.145 2.705 161 HG22 THR 25 HG22 THR 25 -1.503 -11.898 2.720 162 HG23 THR 25 HG23 THR 25 -2.518 -10.954 1.630 163 H CYS 26 HN CYS 26 -3.176 -7.478 2.875 164 HA CYS 26 HA CYS 26 -2.949 -7.695 0.071 165 HB2 CYS 26 HB2 CYS 26 -4.052 -5.418 1.732 166 HB3 CYS 26 HB1 CYS 26 -4.300 -5.625 0.002 167 H SER 27 HN SER 27 -1.372 -5.627 2.430 168 HA SER 27 HA SER 27 -0.110 -3.893 0.555 169 HB2 SER 27 HB2 SER 27 -0.439 -3.266 2.920 170 HB3 SER 27 HB1 SER 27 0.658 -4.549 3.415 171 HG SER 27 HG SER 27 1.303 -2.289 1.823 172 H ARG 28 HN ARG 28 0.731 -6.966 2.009 173 HA ARG 28 HA ARG 28 3.462 -6.929 1.178 174 HB2 ARG 28 HB2 ARG 28 1.623 -9.051 2.249 175 HB3 ARG 28 HB1 ARG 28 3.235 -9.455 1.680 176 HG2 ARG 28 HG2 ARG 28 4.272 -8.223 3.367 177 HG3 ARG 28 HG1 ARG 28 2.808 -7.311 3.728 178 HD2 ARG 28 HD2 ARG 28 3.399 -9.045 5.427 179 HD3 ARG 28 HD1 ARG 28 1.785 -9.212 4.746 180 HE ARG 28 HE ARG 28 3.621 -10.800 3.293 181 HH11 ARG 28 HH11 ARG 28 1.955 -10.662 6.363 182 HH12 ARG 28 HH12 ARG 28 1.960 -12.381 6.590 183 HH21 ARG 28 HH21 ARG 28 3.636 -13.067 3.588 184 HH22 ARG 28 HH22 ARG 28 2.912 -13.753 5.011 185 H VAL 29 HN VAL 29 0.465 -7.827 -0.307 186 HA VAL 29 HA VAL 29 1.822 -9.285 -2.425 187 HB VAL 29 HB VAL 29 -1.130 -8.736 -2.087 188 HG11 VAL 29 HG11 VAL 29 -1.432 -10.509 -3.742 189 HG12 VAL 29 HG12 VAL 29 0.317 -10.650 -3.915 190 HG13 VAL 29 HG13 VAL 29 -0.503 -9.169 -4.409 191 HG21 VAL 29 HG21 VAL 29 0.503 -11.181 -1.420 192 HG22 VAL 29 HG22 VAL 29 -1.259 -11.095 -1.388 193 HG23 VAL 29 HG23 VAL 29 -0.307 -10.112 -0.275 194 H PHE 30 HN PHE 30 -0.084 -6.311 -2.016 195 HA PHE 30 HA PHE 30 0.760 -5.522 -4.737 196 HB2 PHE 30 HB2 PHE 30 -1.764 -4.600 -3.344 197 HB3 PHE 30 HB1 PHE 30 -1.305 -4.301 -5.015 198 HD1 PHE 30 HD1 PHE 30 -1.030 -6.459 -6.502 199 HD2 PHE 30 HD2 PHE 30 -3.218 -6.290 -2.850 200 HE1 PHE 30 HE1 PHE 30 -2.316 -8.441 -7.178 201 HE2 PHE 30 HE2 PHE 30 -4.500 -8.274 -3.523 202 HZ PHE 30 HZ PHE 30 -4.050 -9.353 -5.690 203 H HIS 31 HN HIS 31 2.541 -4.895 -2.898 204 HA HIS 31 HA HIS 31 2.059 -2.703 -1.236 205 HB2 HIS 31 HB2 HIS 31 3.997 -4.189 -0.988 206 HB3 HIS 31 HB1 HIS 31 4.670 -3.568 -2.491 207 HD1 HIS 31 HD1 HIS 31 3.845 -2.350 1.027 208 HD2 HIS 31 HD2 HIS 31 6.267 -1.412 -2.213 209 HE1 HIS 31 HE1 HIS 31 5.410 -0.504 1.811 210 H GLU 32 HN GLU 32 3.412 -2.770 -4.525 211 HA GLU 32 HA GLU 32 4.059 0.003 -4.552 212 HB2 GLU 32 HB2 GLU 32 3.696 -1.948 -6.830 213 HB3 GLU 32 HB1 GLU 32 4.345 -0.325 -7.003 214 HG2 GLU 32 HG2 GLU 32 6.234 -0.898 -5.607 215 HG3 GLU 32 HG1 GLU 32 5.572 -2.510 -5.335 216 H ASP 33 HN ASP 33 1.375 -1.882 -5.805 217 HA ASP 33 HA ASP 33 0.085 0.332 -7.060 218 HB2 ASP 33 HB2 ASP 33 -0.172 -2.140 -7.659 219 HB3 ASP 33 HB1 ASP 33 -1.234 -2.262 -6.262 220 H CYS 34 HN CYS 34 0.151 -0.951 -3.869 221 HA CYS 34 HA CYS 34 -2.321 0.051 -2.913 222 HB2 CYS 34 HB2 CYS 34 -0.936 -1.680 -1.722 223 HB3 CYS 34 HB1 CYS 34 0.216 -0.410 -1.327 224 H HIS 35 HN HIS 35 0.704 1.566 -3.578 225 HA HIS 35 HA HIS 35 0.122 3.860 -1.892 226 HB2 HIS 35 HB2 HIS 35 2.400 3.286 -3.798 227 HB3 HIS 35 HB1 HIS 35 2.258 4.762 -2.845 228 HD1 HIS 35 HD1 HIS 35 2.682 4.521 -0.244 229 HD2 HIS 35 HD2 HIS 35 3.212 1.036 -2.433 230 HE1 HIS 35 HE1 HIS 35 3.915 2.910 1.269 231 H ILE 36 HN ILE 36 -1.002 2.835 -4.787 232 HA ILE 36 HA ILE 36 -1.281 5.557 -5.855 233 HB ILE 36 HB ILE 36 -0.715 3.117 -7.537 234 HG12 ILE 36 HG12 ILE 36 1.136 5.429 -6.909 235 HG13 ILE 36 HG11 ILE 36 1.243 3.836 -6.170 236 HG21 ILE 36 HG21 ILE 36 -2.062 4.782 -8.673 237 HG22 ILE 36 HG22 ILE 36 -0.439 4.741 -9.359 238 HG23 ILE 36 HG23 ILE 36 -0.898 6.039 -8.258 239 HD11 ILE 36 HD11 ILE 36 1.556 4.427 -9.105 240 HD12 ILE 36 HD12 ILE 36 1.707 2.845 -8.340 241 HD13 ILE 36 HD13 ILE 36 2.867 4.120 -7.966 242 HA PRO 37 HA PRO 37 -2.561 6.780 -5.871 243 HB2 PRO 37 HB2 PRO 37 -4.878 8.086 -5.722 244 HB3 PRO 37 HB1 PRO 37 -4.269 7.517 -7.289 245 HG2 PRO 37 HG2 PRO 37 -6.453 6.419 -5.591 246 HG3 PRO 37 HG1 PRO 37 -6.298 6.435 -7.356 247 HD2 PRO 37 HD2 PRO 37 -5.685 4.283 -5.603 248 HD3 PRO 37 HD1 PRO 37 -5.343 4.376 -7.341 249 HA PRO 38 HA PRO 38 -3.019 6.564 -1.453 250 HB2 PRO 38 HB2 PRO 38 -1.807 8.868 -0.775 251 HB3 PRO 38 HB1 PRO 38 -0.901 7.483 -1.398 252 HG2 PRO 38 HG2 PRO 38 -1.823 9.947 -2.832 253 HG3 PRO 38 HG1 PRO 38 -0.257 9.119 -2.934 254 HD2 PRO 38 HD2 PRO 38 -2.248 8.804 -4.788 255 HD3 PRO 38 HD1 PRO 38 -1.048 7.545 -4.424 256 H VAL 39 HN VAL 39 -4.648 7.085 -0.108 257 HA VAL 39 HA VAL 39 -6.592 9.065 -0.741 258 HB VAL 39 HB VAL 39 -6.144 7.676 1.905 259 HG11 VAL 39 HG11 VAL 39 -8.506 8.149 2.312 260 HG12 VAL 39 HG12 VAL 39 -8.595 9.012 0.777 261 HG13 VAL 39 HG13 VAL 39 -7.579 9.630 2.078 262 HG21 VAL 39 HG21 VAL 39 -6.433 5.998 0.209 263 HG22 VAL 39 HG22 VAL 39 -7.824 6.853 -0.454 264 HG23 VAL 39 HG23 VAL 39 -7.921 6.118 1.146 265 H GLU 40 HN GLU 40 -5.968 11.156 -0.723 266 HA GLU 40 HA GLU 40 -3.615 11.903 0.704 267 HB2 GLU 40 HB2 GLU 40 -4.058 12.716 -1.560 268 HB3 GLU 40 HB1 GLU 40 -5.474 13.582 -0.981 269 HG2 GLU 40 HG2 GLU 40 -4.088 15.015 0.378 270 HG3 GLU 40 HG1 GLU 40 -2.649 14.116 -0.094 271 H ALA 41 HN ALA 41 -7.040 12.828 1.012 272 HA ALA 41 HA ALA 41 -6.339 14.754 3.065 273 HB1 ALA 41 HB1 ALA 41 -9.042 14.056 1.935 274 HB2 ALA 41 HB2 ALA 41 -7.998 15.363 1.382 275 HB3 ALA 41 HB3 ALA 41 -8.677 15.406 3.007 276 H GLU 42 HN GLU 42 -8.553 11.972 2.843 277 HA GLU 42 HA GLU 42 -9.216 12.055 5.590 278 HB2 GLU 42 HB2 GLU 42 -9.572 9.900 3.509 279 HB3 GLU 42 HB1 GLU 42 -10.198 9.777 5.148 280 HG2 GLU 42 HG2 GLU 42 -10.901 11.974 3.217 281 HG3 GLU 42 HG1 GLU 42 -11.873 10.529 3.494 282 H ARG 43 HN ARG 43 -6.943 10.082 3.743 283 HA ARG 43 HA ARG 43 -5.372 8.547 4.363 284 HB2 ARG 43 HB2 ARG 43 -4.968 10.614 6.528 285 HB3 ARG 43 HB1 ARG 43 -3.816 9.351 6.114 286 HG2 ARG 43 HG2 ARG 43 -3.779 10.318 3.785 287 HG3 ARG 43 HG1 ARG 43 -4.679 11.689 4.437 288 HD2 ARG 43 HD2 ARG 43 -2.887 12.131 6.023 289 HD3 ARG 43 HD1 ARG 43 -2.000 10.727 5.430 290 HE ARG 43 HE ARG 43 -2.603 12.586 3.347 291 HH11 ARG 43 HH11 ARG 43 -0.404 11.963 5.998 292 HH12 ARG 43 HH12 ARG 43 0.910 12.840 5.284 293 HH21 ARG 43 HH21 ARG 43 -0.859 13.736 2.392 294 HH22 ARG 43 HH22 ARG 43 0.651 13.860 3.236 295 H THR 44 HN THR 44 -7.307 7.167 4.958 296 HA THR 44 HA THR 44 -7.463 6.659 7.837 297 HB THR 44 HB THR 44 -9.500 5.319 7.234 298 HG1 THR 44 HG1 THR 44 -8.776 5.101 4.956 299 HG21 THR 44 HG21 THR 44 -9.718 7.616 8.025 300 HG22 THR 44 HG22 THR 44 -10.914 7.291 6.770 301 HG23 THR 44 HG23 THR 44 -9.467 8.221 6.389 302 HA PRO 45 HA PRO 45 -4.817 3.133 6.834 303 HB2 PRO 45 HB2 PRO 45 -4.891 2.602 9.714 304 HB3 PRO 45 HB1 PRO 45 -3.513 3.007 8.686 305 HG2 PRO 45 HG2 PRO 45 -4.516 4.728 10.517 306 HG3 PRO 45 HG1 PRO 45 -3.767 5.266 9.003 307 HD2 PRO 45 HD2 PRO 45 -6.668 5.058 9.715 308 HD3 PRO 45 HD1 PRO 45 -5.820 6.310 8.780 309 H TRP 46 HN TRP 46 -7.814 3.172 8.540 310 HA TRP 46 HA TRP 46 -8.053 0.262 8.425 311 HB2 TRP 46 HB2 TRP 46 -10.242 0.709 9.641 312 HB3 TRP 46 HB1 TRP 46 -8.775 1.119 10.522 313 HD1 TRP 46 HD1 TRP 46 -11.743 2.768 8.723 314 HE1 TRP 46 HE1 TRP 46 -11.965 5.189 9.556 315 HE3 TRP 46 HE3 TRP 46 -7.497 3.040 11.558 316 HZ2 TRP 46 HZ2 TRP 46 -10.530 6.978 11.194 317 HZ3 TRP 46 HZ3 TRP 46 -6.995 5.148 12.725 318 HH2 TRP 46 HH2 TRP 46 -8.477 7.073 12.544 319 H ASN 47 HN ASN 47 -7.915 1.429 5.968 320 HA ASN 47 HA ASN 47 -10.521 0.761 4.876 321 HB2 ASN 47 HB2 ASN 47 -10.685 3.192 5.168 322 HB3 ASN 47 HB1 ASN 47 -9.171 3.412 4.300 323 HD21 ASN 47 HD21 ASN 47 -10.193 4.739 2.789 324 HD22 ASN 47 HD22 ASN 47 -11.223 4.096 1.562 325 H CYS 48 HN CYS 48 -9.524 -1.043 4.016 326 HA CYS 48 HA CYS 48 -7.158 -0.802 2.386 327 HB2 CYS 48 HB2 CYS 48 -7.544 -2.841 3.681 328 HB3 CYS 48 HB1 CYS 48 -9.070 -3.105 2.850 329 H ILE 49 HN ILE 49 -7.168 -0.189 0.343 330 HA ILE 49 HA ILE 49 -9.604 0.270 -1.033 331 HB ILE 49 HB ILE 49 -8.050 0.806 -2.996 332 HG12 ILE 49 HG12 ILE 49 -5.979 0.617 -0.799 333 HG13 ILE 49 HG11 ILE 49 -6.096 -0.476 -2.175 334 HG21 ILE 49 HG21 ILE 49 -7.896 2.314 -0.390 335 HG22 ILE 49 HG22 ILE 49 -9.079 2.529 -1.682 336 HG23 ILE 49 HG23 ILE 49 -7.390 2.962 -1.949 337 HD11 ILE 49 HD11 ILE 49 -5.528 2.479 -2.294 338 HD12 ILE 49 HD12 ILE 49 -5.640 1.395 -3.682 339 HD13 ILE 49 HD13 ILE 49 -4.351 1.181 -2.497 340 H PHE 50 HN PHE 50 -7.285 -2.349 -1.091 341 HA PHE 50 HA PHE 50 -8.238 -3.391 -3.594 342 HB2 PHE 50 HB2 PHE 50 -6.404 -4.550 -1.496 343 HB3 PHE 50 HB1 PHE 50 -6.869 -5.427 -2.955 344 HD1 PHE 50 HD1 PHE 50 -6.197 -4.579 -5.174 345 HD2 PHE 50 HD2 PHE 50 -4.847 -2.770 -1.570 346 HE1 PHE 50 HE1 PHE 50 -4.434 -3.411 -6.420 347 HE2 PHE 50 HE2 PHE 50 -3.085 -1.611 -2.807 348 HZ PHE 50 HZ PHE 50 -2.877 -1.920 -5.237 349 H CYS 51 HN CYS 51 -8.895 -4.047 -0.192 350 HA CYS 51 HA CYS 51 -10.434 -6.381 -0.705 351 HB2 CYS 51 HB2 CYS 51 -10.138 -4.565 1.663 352 HB3 CYS 51 HB1 CYS 51 -11.451 -5.737 1.631 353 H ARG 52 HN ARG 52 -11.410 -2.999 -0.039 354 HA ARG 52 HA ARG 52 -14.123 -3.447 -0.634 355 HB2 ARG 52 HB2 ARG 52 -14.376 -1.045 -0.678 356 HB3 ARG 52 HB1 ARG 52 -13.318 -1.498 0.648 357 HG2 ARG 52 HG2 ARG 52 -11.371 -0.894 -0.759 358 HG3 ARG 52 HG1 ARG 52 -12.491 -0.340 -2.006 359 HD2 ARG 52 HD2 ARG 52 -12.372 0.719 0.816 360 HD3 ARG 52 HD1 ARG 52 -11.636 1.495 -0.585 361 HE ARG 52 HE ARG 52 -14.127 1.370 -1.419 362 HH11 ARG 52 HH11 ARG 52 -12.939 2.196 1.771 363 HH12 ARG 52 HH12 ARG 52 -14.275 3.243 2.133 364 HH21 ARG 52 HH21 ARG 52 -15.870 2.769 -0.952 365 HH22 ARG 52 HH22 ARG 52 -15.937 3.579 0.582 366 H MET 53 HN MET 53 -11.423 -3.194 -2.678 367 HA MET 53 HA MET 53 -12.727 -2.188 -5.007 368 HB2 MET 53 HB2 MET 53 -10.298 -2.065 -4.771 369 HB3 MET 53 HB1 MET 53 -10.196 -3.818 -4.717 370 HG2 MET 53 HG2 MET 53 -11.068 -3.899 -7.022 371 HG3 MET 53 HG1 MET 53 -11.053 -2.138 -7.061 372 HE1 MET 53 HE1 MET 53 -8.353 -1.543 -5.371 373 HE2 MET 53 HE2 MET 53 -8.844 -0.681 -6.828 374 HE3 MET 53 HE3 MET 53 -7.221 -1.360 -6.710 375 H LYS 54 HN LYS 54 -12.219 -5.362 -3.632 376 HA LYS 54 HA LYS 54 -14.153 -6.449 -5.506 377 HB2 LYS 54 HB2 LYS 54 -11.896 -6.843 -6.508 378 HB3 LYS 54 HB1 LYS 54 -11.462 -7.760 -5.072 379 HG2 LYS 54 HG2 LYS 54 -12.078 -9.272 -6.838 380 HG3 LYS 54 HG1 LYS 54 -13.296 -9.338 -5.561 381 HD2 LYS 54 HD2 LYS 54 -14.684 -7.760 -6.882 382 HD3 LYS 54 HD1 LYS 54 -13.497 -7.860 -8.182 383 HE2 LYS 54 HE2 LYS 54 -13.897 -10.281 -8.331 384 HE3 LYS 54 HE1 LYS 54 -15.107 -10.147 -7.054 385 HZ1 LYS 54 HZ1 LYS 54 -16.170 -10.161 -9.194 386 HZ2 LYS 54 HZ2 LYS 54 -15.232 -8.862 -9.726 387 HZ3 LYS 54 HZ3 LYS 54 -16.363 -8.635 -8.492 388 H GLU 55 HN GLU 55 -15.537 -6.609 -3.749 389 HA GLU 55 HA GLU 55 -14.929 -8.820 -1.933 390 HB2 GLU 55 HB2 GLU 55 -14.461 -6.787 -0.661 391 HB3 GLU 55 HB1 GLU 55 -16.053 -6.155 -1.056 392 HG2 GLU 55 HG2 GLU 55 -17.081 -8.009 0.182 393 HG3 GLU 55 HG1 GLU 55 -15.475 -8.601 0.604 394 H SER 56 HN SER 56 -16.382 -10.273 -2.543 395 HA SER 56 HA SER 56 -19.185 -9.581 -2.299 396 HB2 SER 56 HB2 SER 56 -19.660 -10.859 -4.463 397 HB3 SER 56 HB1 SER 56 -18.979 -9.242 -4.632 398 HG SER 56 HG SER 56 -16.895 -10.308 -4.813
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