NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611059 | 2nb9 | 25967 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.294 -0.958 -0.603 2 H2 MET 1 H2 MET 1 3.682 -0.284 -0.041 3 H3 MET 1 H3 MET 1 3.497 -1.920 -0.013 4 HA MET 1 HA MET 1 3.520 -2.065 -2.366 5 HB2 MET 1 HB2 MET 1 3.874 -0.084 -3.742 6 HB3 MET 1 HB3 MET 1 2.393 0.080 -2.782 7 HG2 MET 1 HG2 MET 1 3.744 1.383 -1.085 8 HG3 MET 1 HG3 MET 1 5.096 1.364 -2.220 9 HE1 MET 1 HE1 MET 1 3.736 3.493 -5.206 10 HE2 MET 1 HE2 MET 1 5.090 2.539 -4.556 11 HE3 MET 1 HE3 MET 1 3.583 1.728 -5.049 12 H ILE 2 H ILE 2 5.577 -1.804 -3.735 13 HA ILE 2 HA ILE 2 7.932 -1.264 -2.024 14 HB ILE 2 HB ILE 2 7.073 -3.756 -2.072 15 HG12 ILE 2 HG12 ILE 2 10.001 -3.248 -2.652 16 HG13 ILE 2 HG13 ILE 2 9.221 -2.751 -1.136 17 HG21 ILE 2 HG21 ILE 2 8.020 -5.115 -3.866 18 HG22 ILE 2 HG22 ILE 2 6.982 -3.870 -4.591 19 HG23 ILE 2 HG23 ILE 2 8.753 -3.681 -4.614 20 HD11 ILE 2 HD11 ILE 2 9.311 -5.604 -2.203 21 HD12 ILE 2 HD12 ILE 2 10.288 -4.954 -0.871 22 HD13 ILE 2 HD13 ILE 2 8.525 -5.065 -0.696 23 H LEU 3 H LEU 3 9.840 -0.763 -3.176 24 HA LEU 3 HA LEU 3 9.526 -0.366 -6.109 25 HB2 LEU 3 HB2 LEU 3 10.564 1.621 -4.053 26 HB3 LEU 3 HB3 LEU 3 10.648 1.848 -5.807 27 HG LEU 3 HG LEU 3 8.025 1.430 -4.301 28 HD11 LEU 3 HD11 LEU 3 9.173 3.487 -3.544 29 HD12 LEU 3 HD12 LEU 3 9.339 4.007 -5.241 30 HD13 LEU 3 HD13 LEU 3 7.722 3.854 -4.511 31 HD21 LEU 3 HD21 LEU 3 7.962 0.911 -6.726 32 HD22 LEU 3 HD22 LEU 3 7.068 2.404 -6.374 33 HD23 LEU 3 HD23 LEU 3 8.693 2.496 -7.083 34 H THR 4 H THR 4 11.462 -0.474 -7.301 35 HA THR 4 HA THR 4 13.728 -1.626 -5.795 36 HB THR 4 HB THR 4 13.451 -1.816 -8.775 37 HG1 THR 4 HG1 THR 4 12.322 -3.728 -8.425 38 HG21 THR 4 HG21 THR 4 14.712 -3.604 -6.651 39 HG22 THR 4 HG22 THR 4 14.754 -3.873 -8.410 40 HG23 THR 4 HG23 THR 4 15.593 -2.474 -7.703 41 H CYS 5 H CYS 5 15.731 -0.766 -5.761 42 HA CYS 5 HA CYS 5 15.990 1.980 -6.634 43 HB2 CYS 5 HB2 CYS 5 16.956 1.177 -4.526 44 HB3 CYS 5 HB3 CYS 5 17.988 0.040 -5.427 45 HA PRO 6 HA PRO 6 17.729 1.027 -10.649 46 HB2 PRO 6 HB2 PRO 6 18.893 3.767 -10.441 47 HB3 PRO 6 HB3 PRO 6 17.828 3.089 -11.714 48 HG2 PRO 6 HG2 PRO 6 16.910 4.894 -9.869 49 HG3 PRO 6 HG3 PRO 6 15.892 3.545 -10.469 50 HD2 PRO 6 HD2 PRO 6 17.423 3.730 -7.872 51 HD3 PRO 6 HD3 PRO 6 15.782 3.084 -8.192 52 H GLU 7 H GLU 7 19.461 2.006 -7.780 53 HA GLU 7 HA GLU 7 22.077 1.415 -9.096 54 HB2 GLU 7 HB2 GLU 7 21.456 3.026 -6.593 55 HB3 GLU 7 HB3 GLU 7 23.065 2.775 -7.287 56 HG2 GLU 7 HG2 GLU 7 20.727 4.139 -8.696 57 HG3 GLU 7 HG3 GLU 7 22.062 4.982 -7.888 58 H CYS 8 H CYS 8 20.158 0.833 -6.099 59 HA CYS 8 HA CYS 8 22.170 -1.056 -5.128 60 HB2 CYS 8 HB2 CYS 8 19.345 -0.498 -4.119 61 HB3 CYS 8 HB3 CYS 8 20.579 -1.476 -3.307 62 H ALA 9 H ALA 9 19.504 -1.159 -7.301 63 HA ALA 9 HA ALA 9 18.360 -2.821 -8.325 64 HB1 ALA 9 HB1 ALA 9 19.666 -4.782 -9.009 65 HB2 ALA 9 HB2 ALA 9 20.621 -3.292 -9.172 66 HB3 ALA 9 HB3 ALA 9 20.913 -4.390 -7.802 67 H SER 10 H SER 10 17.808 -2.478 -5.570 68 HA SER 10 HA SER 10 16.982 -5.226 -4.799 69 HB2 SER 10 HB2 SER 10 19.102 -4.591 -3.636 70 HB3 SER 10 HB3 SER 10 18.266 -3.195 -2.937 71 HG SER 10 HG SER 10 18.234 -5.034 -1.554 72 H ARG 11 H ARG 11 15.164 -5.243 -3.302 73 HA ARG 11 HA ARG 11 13.293 -3.090 -3.999 74 HB2 ARG 11 HB2 ARG 11 12.912 -5.713 -2.509 75 HB3 ARG 11 HB3 ARG 11 11.622 -4.589 -2.983 76 HG2 ARG 11 HG2 ARG 11 12.369 -4.838 -5.379 77 HG3 ARG 11 HG3 ARG 11 13.495 -6.107 -4.839 78 HD2 ARG 11 HD2 ARG 11 11.589 -7.374 -3.894 79 HD3 ARG 11 HD3 ARG 11 10.474 -6.116 -4.444 80 HE ARG 11 HE ARG 11 11.784 -8.179 -6.068 81 HH11 ARG 11 HH11 ARG 11 10.137 -5.048 -6.102 82 HH12 ARG 11 HH12 ARG 11 9.634 -5.196 -7.771 83 HH21 ARG 11 HH21 ARG 11 11.123 -8.343 -8.247 84 HH22 ARG 11 HH22 ARG 11 10.199 -7.055 -8.982 85 H TYR 12 H TYR 12 12.032 -1.940 -2.518 86 HA TYR 12 HA TYR 12 12.636 -2.074 0.332 87 HB2 TYR 12 HB2 TYR 12 14.390 -0.609 -0.254 88 HB3 TYR 12 HB3 TYR 12 13.365 0.300 -1.367 89 HD1 TYR 12 HD2 TYR 12 14.135 -0.318 2.193 90 HD2 TYR 12 HD1 TYR 12 11.881 2.039 -0.604 91 HE1 TYR 12 HE2 TYR 12 13.624 1.314 3.993 92 HE2 TYR 12 HE1 TYR 12 11.376 3.688 1.185 93 HH TYR 12 HH TYR 12 11.650 4.244 3.391 94 H PHE 13 H PHE 13 10.934 -1.464 1.619 95 HA PHE 13 HA PHE 13 8.498 -0.970 0.030 96 HB2 PHE 13 HB2 PHE 13 7.334 -2.032 2.050 97 HB3 PHE 13 HB3 PHE 13 8.226 -3.036 0.911 98 HD1 PHE 13 HD1 PHE 13 8.316 -1.544 4.303 99 HD2 PHE 13 HD2 PHE 13 10.202 -4.254 1.543 100 HE1 PHE 13 HE1 PHE 13 9.673 -2.484 6.153 101 HE2 PHE 13 HE2 PHE 13 11.577 -5.175 3.390 102 HZ PHE 13 HZ PHE 13 11.305 -4.296 5.698 103 H VAL 14 H VAL 14 6.788 0.276 0.599 104 HA VAL 14 HA VAL 14 7.055 2.085 2.901 105 HB VAL 14 HB VAL 14 6.670 4.078 1.549 106 HG11 VAL 14 HG11 VAL 14 9.028 2.521 0.400 107 HG12 VAL 14 HG12 VAL 14 8.834 4.282 0.434 108 HG13 VAL 14 HG13 VAL 14 9.031 3.388 1.955 109 HG21 VAL 14 HG21 VAL 14 5.412 3.064 -0.302 110 HG22 VAL 14 HG22 VAL 14 6.793 4.001 -0.916 111 HG23 VAL 14 HG23 VAL 14 6.884 2.228 -0.859 112 H ASP 15 H ASP 15 5.005 3.306 3.272 113 HA ASP 15 HA ASP 15 2.745 1.581 2.973 114 HB2 ASP 15 HB2 ASP 15 2.956 4.483 3.839 115 HB3 ASP 15 HB3 ASP 15 1.477 3.520 3.922 116 H ASP 16 H ASP 16 0.755 1.928 1.842 117 HA ASP 16 HA ASP 16 1.188 2.687 -0.880 118 HB2 ASP 16 HB2 ASP 16 -1.340 2.057 0.673 119 HB3 ASP 16 HB3 ASP 16 -1.285 2.285 -1.083 120 H SER 17 H SER 17 0.474 4.618 1.853 121 HA SER 17 HA SER 17 -1.045 6.639 0.403 122 HB2 SER 17 HB2 SER 17 0.283 6.630 3.145 123 HB3 SER 17 HB3 SER 17 -0.791 7.907 2.537 124 HG SER 17 HG SER 17 -2.452 6.423 2.419 125 H LYS 18 H LYS 18 2.248 5.772 0.533 126 HA LYS 18 HA LYS 18 3.335 8.484 0.456 127 HB2 LYS 18 HB2 LYS 18 4.616 5.791 -0.129 128 HB3 LYS 18 HB3 LYS 18 5.476 7.326 0.090 129 HG2 LYS 18 HG2 LYS 18 3.772 5.928 2.206 130 HG3 LYS 18 HG3 LYS 18 5.542 5.980 2.151 131 HD2 LYS 18 HD2 LYS 18 5.456 8.467 2.330 132 HD3 LYS 18 HD3 LYS 18 3.686 8.379 2.483 133 HE2 LYS 18 HE2 LYS 18 3.926 6.951 4.488 134 HE3 LYS 18 HE3 LYS 18 5.689 7.037 4.343 135 HZ1 LYS 18 HZ1 LYS 18 3.900 9.339 4.765 136 HZ2 LYS 18 HZ2 LYS 18 4.833 8.627 5.917 137 HZ3 LYS 18 HZ3 LYS 18 5.541 9.410 4.657 138 H VAL 19 H VAL 19 1.756 6.537 -1.833 139 HA VAL 19 HA VAL 19 2.818 8.219 -4.017 140 HB VAL 19 HB VAL 19 2.609 5.203 -4.252 141 HG11 VAL 19 HG11 VAL 19 3.824 5.623 -6.397 142 HG12 VAL 19 HG12 VAL 19 2.214 6.366 -6.370 143 HG13 VAL 19 HG13 VAL 19 3.674 7.367 -6.116 144 HG21 VAL 19 HG21 VAL 19 4.520 5.754 -2.818 145 HG22 VAL 19 HG22 VAL 19 5.110 5.280 -4.419 146 HG23 VAL 19 HG23 VAL 19 5.067 6.997 -3.972 147 H GLY 20 H GLY 20 1.358 8.569 -5.721 148 HA2 GLY 20 HA2 GLY 20 -1.391 7.453 -5.334 149 HA3 GLY 20 HA3 GLY 20 -1.109 9.166 -5.676 150 HA PRO 21 HA PRO 21 -1.579 6.774 -9.662 151 HB2 PRO 21 HB2 PRO 21 -3.753 8.135 -10.649 152 HB3 PRO 21 HB3 PRO 21 -3.895 6.726 -9.554 153 HG2 PRO 21 HG2 PRO 21 -4.062 9.668 -8.859 154 HG3 PRO 21 HG3 PRO 21 -5.089 8.318 -8.276 155 HD2 PRO 21 HD2 PRO 21 -2.972 9.360 -6.843 156 HD3 PRO 21 HD3 PRO 21 -3.475 7.649 -6.714 157 H ASP 22 H ASP 22 -1.390 10.133 -8.665 158 HA ASP 22 HA ASP 22 -0.601 11.121 -11.313 159 HB2 ASP 22 HB2 ASP 22 -1.859 12.435 -9.506 160 HB3 ASP 22 HB3 ASP 22 -0.358 12.430 -8.566 161 H GLY 23 H GLY 23 0.832 9.221 -8.918 162 HA2 GLY 23 HA2 GLY 23 3.000 8.481 -8.727 163 HA3 GLY 23 HA3 GLY 23 3.517 9.662 -9.943 164 H ARG 24 H ARG 24 5.031 9.139 -7.665 165 HA ARG 24 HA ARG 24 5.207 11.818 -6.523 166 HB2 ARG 24 HB2 ARG 24 3.532 10.689 -5.037 167 HB3 ARG 24 HB3 ARG 24 4.719 9.400 -4.738 168 HG2 ARG 24 HG2 ARG 24 4.698 10.999 -2.884 169 HG3 ARG 24 HG3 ARG 24 6.262 11.042 -3.718 170 HD2 ARG 24 HD2 ARG 24 5.563 13.066 -4.955 171 HD3 ARG 24 HD3 ARG 24 3.968 12.987 -4.183 172 HE ARG 24 HE ARG 24 6.463 13.292 -2.561 173 HH11 ARG 24 HH11 ARG 24 3.270 14.462 -3.543 174 HH12 ARG 24 HH12 ARG 24 3.224 15.710 -2.321 175 HH21 ARG 24 HH21 ARG 24 6.376 14.931 -0.980 176 HH22 ARG 24 HH22 ARG 24 4.976 15.972 -0.874 177 H VAL 25 H VAL 25 7.309 12.241 -5.765 178 HA VAL 25 HA VAL 25 9.326 10.388 -6.713 179 HB VAL 25 HB VAL 25 9.460 12.886 -6.903 180 HG11 VAL 25 HG11 VAL 25 10.220 14.165 -4.959 181 HG12 VAL 25 HG12 VAL 25 8.644 13.414 -4.618 182 HG13 VAL 25 HG13 VAL 25 10.135 12.707 -3.940 183 HG21 VAL 25 HG21 VAL 25 11.453 11.412 -7.132 184 HG22 VAL 25 HG22 VAL 25 11.856 12.998 -6.435 185 HG23 VAL 25 HG23 VAL 25 11.748 11.575 -5.379 186 H VAL 26 H VAL 26 10.950 9.337 -5.526 187 HA VAL 26 HA VAL 26 10.491 9.113 -2.607 188 HB VAL 26 HB VAL 26 10.579 6.751 -2.629 189 HG11 VAL 26 HG11 VAL 26 8.839 7.553 -5.002 190 HG12 VAL 26 HG12 VAL 26 8.662 6.102 -3.994 191 HG13 VAL 26 HG13 VAL 26 8.381 7.709 -3.289 192 HG21 VAL 26 HG21 VAL 26 11.193 6.912 -5.608 193 HG22 VAL 26 HG22 VAL 26 12.341 6.452 -4.334 194 HG23 VAL 26 HG23 VAL 26 10.940 5.421 -4.685 195 H ARG 27 H ARG 27 12.377 7.826 -1.565 196 HA ARG 27 HA ARG 27 14.943 8.484 -2.903 197 HB2 ARG 27 HB2 ARG 27 14.385 10.383 -1.451 198 HB3 ARG 27 HB3 ARG 27 14.142 9.283 -0.078 199 HG2 ARG 27 HG2 ARG 27 16.513 8.593 -0.181 200 HG3 ARG 27 HG3 ARG 27 16.759 9.627 -1.603 201 HD2 ARG 27 HD2 ARG 27 17.569 10.780 0.367 202 HD3 ARG 27 HD3 ARG 27 16.124 11.610 -0.226 203 HE ARG 27 HE ARG 27 16.264 9.806 2.163 204 HH11 ARG 27 HH11 ARG 27 14.638 12.370 0.339 205 HH12 ARG 27 HH12 ARG 27 13.503 12.722 1.623 206 HH21 ARG 27 HH21 ARG 27 14.774 10.281 3.810 207 HH22 ARG 27 HH22 ARG 27 13.579 11.536 3.586 208 H CYS 28 H CYS 28 16.587 7.081 -2.504 209 HA CYS 28 HA CYS 28 15.865 4.488 -1.449 210 HB2 CYS 28 HB2 CYS 28 17.324 4.905 -3.445 211 HB3 CYS 28 HB3 CYS 28 18.564 5.581 -2.374 212 H ALA 29 H ALA 29 16.388 3.571 0.477 213 HA ALA 29 HA ALA 29 17.528 5.263 2.568 214 HB1 ALA 29 HB1 ALA 29 16.664 2.345 2.553 215 HB2 ALA 29 HB2 ALA 29 17.062 3.302 3.996 216 HB3 ALA 29 HB3 ALA 29 15.643 3.732 3.012 217 H SER 30 H SER 30 18.858 3.316 0.102 218 HA SER 30 HA SER 30 21.106 2.432 1.839 219 HB2 SER 30 HB2 SER 30 19.929 1.291 -0.705 220 HB3 SER 30 HB3 SER 30 21.475 0.751 -0.008 221 HG SER 30 HG SER 30 18.925 0.712 1.240 222 H CYS 31 H CYS 31 20.332 4.517 -0.880 223 HA CYS 31 HA CYS 31 23.193 5.217 -0.939 224 HB2 CYS 31 HB2 CYS 31 23.478 4.980 -3.295 225 HB3 CYS 31 HB3 CYS 31 22.870 3.436 -2.658 226 H GLY 32 H GLY 32 19.972 6.212 -0.920 227 HA2 GLY 32 HA2 GLY 32 19.229 8.367 -0.627 228 HA3 GLY 32 HA3 GLY 32 20.856 8.975 -1.002 229 H ASN 33 H ASN 33 19.981 6.858 -3.462 230 HA ASN 33 HA ASN 33 19.705 8.870 -5.446 231 HB2 ASN 33 HB2 ASN 33 20.443 6.482 -5.763 232 HB3 ASN 33 HB3 ASN 33 18.762 5.977 -5.523 233 HD21 ASN 33 HD22 ASN 33 18.613 5.091 -7.632 234 HD22 ASN 33 HD21 ASN 33 18.505 6.113 -9.050 235 H ARG 34 H ARG 34 17.824 9.445 -6.731 236 HA ARG 34 HA ARG 34 15.219 8.998 -5.360 237 HB2 ARG 34 HB2 ARG 34 16.210 11.668 -6.418 238 HB3 ARG 34 HB3 ARG 34 14.654 11.349 -5.632 239 HG2 ARG 34 HG2 ARG 34 15.848 10.720 -3.544 240 HG3 ARG 34 HG3 ARG 34 17.404 11.065 -4.337 241 HD2 ARG 34 HD2 ARG 34 16.642 13.406 -4.754 242 HD3 ARG 34 HD3 ARG 34 15.148 13.060 -3.861 243 HE ARG 34 HE ARG 34 17.776 12.648 -2.524 244 HH11 ARG 34 HH11 ARG 34 14.782 14.500 -2.820 245 HH12 ARG 34 HH12 ARG 34 15.001 15.324 -1.293 246 HH21 ARG 34 HH21 ARG 34 18.042 13.733 -0.544 247 HH22 ARG 34 HH22 ARG 34 16.849 14.889 -0.001 248 H TRP 35 H TRP 35 13.433 8.898 -6.671 249 HA TRP 35 HA TRP 35 13.533 9.628 -9.481 250 HB2 TRP 35 HB2 TRP 35 13.145 7.397 -10.361 251 HB3 TRP 35 HB3 TRP 35 14.696 7.436 -9.521 252 HD1 TRP 35 HD1 TRP 35 11.270 5.848 -9.409 253 HE1 TRP 35 HE1 TRP 35 11.190 3.981 -7.678 254 HE3 TRP 35 HE3 TRP 35 15.795 6.646 -7.171 255 HZ2 TRP 35 HZ2 TRP 35 12.854 2.985 -5.527 256 HZ3 TRP 35 HZ3 TRP 35 16.509 5.230 -5.277 257 HH2 TRP 35 HH2 TRP 35 15.059 3.395 -4.453 258 H THR 36 H THR 36 11.373 9.294 -10.496 259 HA THR 36 HA THR 36 9.275 9.634 -8.525 260 HB THR 36 HB THR 36 8.757 9.424 -11.474 261 HG1 THR 36 HG1 THR 36 10.436 10.833 -11.371 262 HG21 THR 36 HG21 THR 36 6.841 9.652 -9.928 263 HG22 THR 36 HG22 THR 36 7.598 11.089 -9.194 264 HG23 THR 36 HG23 THR 36 7.053 11.128 -10.889 265 H ALA 37 H ALA 37 7.703 8.274 -7.887 266 HA ALA 37 HA ALA 37 7.718 5.526 -9.048 267 HB1 ALA 37 HB1 ALA 37 7.012 6.464 -6.243 268 HB2 ALA 37 HB2 ALA 37 6.986 4.788 -6.826 269 HB3 ALA 37 HB3 ALA 37 8.532 5.668 -6.720 270 H PHE 38 H PHE 38 5.636 4.417 -9.061 271 HA PHE 38 HA PHE 38 3.292 6.202 -8.970 272 HB2 PHE 38 HB2 PHE 38 4.199 4.554 -11.311 273 HB3 PHE 38 HB3 PHE 38 2.511 4.969 -11.075 274 HD1 PHE 38 HD1 PHE 38 5.901 6.428 -11.613 275 HD2 PHE 38 HD2 PHE 38 1.661 7.142 -11.557 276 HE1 PHE 38 HE1 PHE 38 6.254 8.631 -12.692 277 HE2 PHE 38 HE2 PHE 38 2.015 9.343 -12.637 278 HZ PHE 38 HZ PHE 38 4.316 10.094 -13.197 279 H LYS 39 H LYS 39 1.214 5.088 -9.043 280 HA LYS 39 HA LYS 39 1.368 2.724 -7.260 281 HB2 LYS 39 HB2 LYS 39 0.108 4.592 -6.426 282 HB3 LYS 39 HB3 LYS 39 -0.867 4.679 -7.906 283 HG2 LYS 39 HG2 LYS 39 -1.967 2.615 -7.448 284 HG3 LYS 39 HG3 LYS 39 -0.796 2.173 -6.187 285 HD2 LYS 39 HD2 LYS 39 -2.666 4.569 -5.986 286 HD3 LYS 39 HD3 LYS 39 -3.007 2.971 -5.291 287 HE2 LYS 39 HE2 LYS 39 -0.905 3.087 -3.979 288 HE3 LYS 39 HE3 LYS 39 -0.579 4.691 -4.642 289 HZ1 LYS 39 HZ1 LYS 39 -1.604 4.831 -2.496 290 HZ2 LYS 39 HZ2 LYS 39 -2.616 5.456 -3.625 291 HZ3 LYS 39 HZ3 LYS 39 -2.908 3.959 -2.999 292 H ASP 40 H ASP 40 0.162 0.842 -7.609 293 HA ASP 40 HA ASP 40 -1.140 0.468 -10.230 294 HB2 ASP 40 HB2 ASP 40 1.318 0.017 -10.537 295 HB3 ASP 40 HB3 ASP 40 1.212 -1.234 -9.294 296 H GLU 41 H GLU 41 -0.798 -0.088 -6.888 297 HA GLU 41 HA GLU 41 -1.949 -2.694 -6.643 298 HB2 GLU 41 HB2 GLU 41 -1.704 -0.308 -4.755 299 HB3 GLU 41 HB3 GLU 41 -2.399 -1.857 -4.276 300 HG2 GLU 41 HG2 GLU 41 -0.161 -2.048 -3.609 301 HG3 GLU 41 HG3 GLU 41 -0.214 -2.936 -5.139 302 H ALA 42 H ALA 42 -3.337 0.363 -7.473 303 HA ALA 42 HA ALA 42 -6.018 -0.795 -7.341 304 HB1 ALA 42 HB1 ALA 42 -5.640 0.129 -5.054 305 HB2 ALA 42 HB2 ALA 42 -5.298 1.718 -5.771 306 HB3 ALA 42 HB3 ALA 42 -6.924 0.996 -5.919 307 H GLU 43 H GLU 43 -3.990 0.292 -9.299 308 HA GLU 43 HA GLU 43 -5.128 2.761 -10.324 309 HB2 GLU 43 HB2 GLU 43 -2.739 2.247 -10.572 310 HB3 GLU 43 HB3 GLU 43 -3.125 0.745 -11.420 311 HG2 GLU 43 HG2 GLU 43 -2.423 2.428 -13.019 312 HG3 GLU 43 HG3 GLU 43 -4.118 2.029 -13.288 313 H LEU 44 H LEU 44 -5.882 -0.603 -10.606 314 HA LEU 44 HA LEU 44 -6.979 -0.580 -13.262 315 HB2 LEU 44 HB2 LEU 44 -7.600 -2.395 -10.904 316 HB3 LEU 44 HB3 LEU 44 -7.966 -2.735 -12.603 317 HG LEU 44 HG LEU 44 -5.161 -2.364 -11.444 318 HD11 LEU 44 HD11 LEU 44 -6.279 -4.449 -10.700 319 HD12 LEU 44 HD12 LEU 44 -6.635 -4.859 -12.396 320 HD13 LEU 44 HD13 LEU 44 -4.951 -4.789 -11.827 321 HD21 LEU 44 HD21 LEU 44 -5.280 -1.682 -13.810 322 HD22 LEU 44 HD22 LEU 44 -4.438 -3.233 -13.657 323 HD23 LEU 44 HD23 LEU 44 -6.131 -3.192 -14.218 324 H GLU 45 H GLU 45 -9.188 -0.654 -13.902 325 HA GLU 45 HA GLU 45 -10.877 1.214 -12.454 326 HB2 GLU 45 HB2 GLU 45 -12.414 0.871 -14.323 327 HB3 GLU 45 HB3 GLU 45 -10.763 1.148 -14.915 328 HG2 GLU 45 HG2 GLU 45 -10.473 -1.318 -15.179 329 HG3 GLU 45 HG3 GLU 45 -12.139 -1.564 -14.635 330 H LEU 46 H LEU 46 -13.122 0.729 -11.870 331 HA LEU 46 HA LEU 46 -14.619 -0.357 -10.560 332 HB2 LEU 46 HB2 LEU 46 -13.841 -2.494 -12.556 333 HB3 LEU 46 HB3 LEU 46 -15.023 -2.823 -11.280 334 HG LEU 46 HG LEU 46 -16.362 -0.853 -12.037 335 HD11 LEU 46 HD11 LEU 46 -14.380 -0.894 -14.355 336 HD12 LEU 46 HD12 LEU 46 -15.943 -0.039 -14.375 337 HD13 LEU 46 HD13 LEU 46 -14.680 0.462 -13.236 338 HD21 LEU 46 HD21 LEU 46 -16.879 -3.164 -12.733 339 HD22 LEU 46 HD22 LEU 46 -17.262 -2.001 -14.024 340 HD23 LEU 46 HD23 LEU 46 -15.785 -2.993 -14.126 341 H VAL 47 H VAL 47 -11.720 -0.356 -9.671 342 HA VAL 47 HA VAL 47 -11.188 -2.790 -8.316 343 HB VAL 47 HB VAL 47 -9.557 -0.970 -8.840 344 HG11 VAL 47 HG11 VAL 47 -10.752 0.403 -6.393 345 HG12 VAL 47 HG12 VAL 47 -9.354 0.947 -7.339 346 HG13 VAL 47 HG13 VAL 47 -10.972 0.947 -8.073 347 HG21 VAL 47 HG21 VAL 47 -8.969 -2.745 -7.262 348 HG22 VAL 47 HG22 VAL 47 -8.263 -1.195 -6.748 349 HG23 VAL 47 HG23 VAL 47 -9.695 -1.824 -5.919 350 HA PRO 48 HA PRO 48 -14.259 -2.591 -5.168 351 HB2 PRO 48 HB2 PRO 48 -13.293 -4.464 -3.405 352 HB3 PRO 48 HB3 PRO 48 -14.017 -4.878 -4.993 353 HG2 PRO 48 HG2 PRO 48 -11.090 -4.626 -4.268 354 HG3 PRO 48 HG3 PRO 48 -11.895 -5.908 -5.236 355 HD2 PRO 48 HD2 PRO 48 -10.570 -3.810 -6.386 356 HD3 PRO 48 HD3 PRO 48 -12.028 -4.535 -7.130 357 H ARG 49 H ARG 49 -10.996 -1.593 -4.662 358 HA ARG 49 HA ARG 49 -11.821 0.020 -2.366 359 HB2 ARG 49 HB2 ARG 49 -11.127 -2.051 -1.257 360 HB3 ARG 49 HB3 ARG 49 -9.618 -2.072 -2.170 361 HG2 ARG 49 HG2 ARG 49 -9.251 -1.225 0.117 362 HG3 ARG 49 HG3 ARG 49 -8.884 0.017 -1.089 363 HD2 ARG 49 HD2 ARG 49 -10.154 0.961 0.794 364 HD3 ARG 49 HD3 ARG 49 -11.064 1.077 -0.715 365 HE ARG 49 HE ARG 49 -11.538 -1.140 1.245 366 HH11 ARG 49 HH11 ARG 49 -12.747 1.580 -0.657 367 HH12 ARG 49 HH12 ARG 49 -14.426 1.235 -0.301 368 HH21 ARG 49 HH21 ARG 49 -13.733 -1.573 1.681 369 HH22 ARG 49 HH22 ARG 49 -14.980 -0.536 1.025 Start of MODEL 2 1 H1 MET 1 H1 MET 1 2.388 -0.989 -0.605 2 H2 MET 1 H2 MET 1 3.769 -0.284 -0.053 3 H3 MET 1 H3 MET 1 3.605 -1.922 0.008 4 HA MET 1 HA MET 1 3.622 -2.109 -2.338 5 HB2 MET 1 HB2 MET 1 3.980 -0.135 -3.752 6 HB3 MET 1 HB3 MET 1 2.468 -0.004 -2.836 7 HG2 MET 1 HG2 MET 1 3.703 1.356 -1.116 8 HG3 MET 1 HG3 MET 1 5.103 1.375 -2.198 9 HE1 MET 1 HE1 MET 1 5.240 2.654 -4.453 10 HE2 MET 1 HE2 MET 1 3.865 1.704 -5.080 11 HE3 MET 1 HE3 MET 1 3.871 3.477 -5.231 12 H ILE 2 H ILE 2 5.673 -1.878 -3.713 13 HA ILE 2 HA ILE 2 8.037 -1.245 -2.043 14 HB ILE 2 HB ILE 2 7.198 -3.747 -1.987 15 HG12 ILE 2 HG12 ILE 2 10.114 -3.227 -2.619 16 HG13 ILE 2 HG13 ILE 2 9.340 -2.699 -1.106 17 HG21 ILE 2 HG21 ILE 2 8.851 -3.764 -4.545 18 HG22 ILE 2 HG22 ILE 2 8.124 -5.162 -3.730 19 HG23 ILE 2 HG23 ILE 2 7.073 -3.954 -4.490 20 HD11 ILE 2 HD11 ILE 2 9.465 -5.579 -2.088 21 HD12 ILE 2 HD12 ILE 2 10.436 -4.871 -0.776 22 HD13 ILE 2 HD13 ILE 2 8.679 -5.009 -0.592 23 H LEU 3 H LEU 3 9.919 -0.754 -3.230 24 HA LEU 3 HA LEU 3 9.592 -0.509 -6.182 25 HB2 LEU 3 HB2 LEU 3 10.593 1.612 -4.247 26 HB3 LEU 3 HB3 LEU 3 10.666 1.739 -6.013 27 HG LEU 3 HG LEU 3 8.052 1.356 -4.483 28 HD11 LEU 3 HD11 LEU 3 9.340 3.907 -5.519 29 HD12 LEU 3 HD12 LEU 3 7.703 3.762 -4.829 30 HD13 LEU 3 HD13 LEU 3 9.130 3.463 -3.810 31 HD21 LEU 3 HD21 LEU 3 8.007 0.716 -6.883 32 HD22 LEU 3 HD22 LEU 3 7.081 2.209 -6.597 33 HD23 LEU 3 HD23 LEU 3 8.706 2.298 -7.311 34 H THR 4 H THR 4 11.529 -0.650 -7.375 35 HA THR 4 HA THR 4 13.798 -1.734 -5.823 36 HB THR 4 HB THR 4 13.568 -1.913 -8.814 37 HG1 THR 4 HG1 THR 4 12.492 -3.856 -8.478 38 HG21 THR 4 HG21 THR 4 15.718 -2.527 -7.737 39 HG22 THR 4 HG22 THR 4 14.860 -3.667 -6.675 40 HG23 THR 4 HG23 THR 4 14.909 -3.949 -8.428 41 H CYS 5 H CYS 5 15.799 -0.860 -5.765 42 HA CYS 5 HA CYS 5 16.034 1.904 -6.614 43 HB2 CYS 5 HB2 CYS 5 16.976 1.119 -4.497 44 HB3 CYS 5 HB3 CYS 5 18.033 -0.012 -5.377 45 HA PRO 6 HA PRO 6 17.846 0.988 -10.607 46 HB2 PRO 6 HB2 PRO 6 18.970 3.747 -10.375 47 HB3 PRO 6 HB3 PRO 6 17.930 3.049 -11.660 48 HG2 PRO 6 HG2 PRO 6 16.964 4.835 -9.814 49 HG3 PRO 6 HG3 PRO 6 15.975 3.466 -10.438 50 HD2 PRO 6 HD2 PRO 6 17.462 3.675 -7.822 51 HD3 PRO 6 HD3 PRO 6 15.835 2.999 -8.179 52 H GLU 7 H GLU 7 19.542 1.964 -7.705 53 HA GLU 7 HA GLU 7 22.173 1.408 -9.007 54 HB2 GLU 7 HB2 GLU 7 21.517 3.028 -6.520 55 HB3 GLU 7 HB3 GLU 7 23.133 2.796 -7.204 56 HG2 GLU 7 HG2 GLU 7 20.787 4.106 -8.649 57 HG3 GLU 7 HG3 GLU 7 22.078 4.986 -7.824 58 H CYS 8 H CYS 8 20.221 0.800 -6.022 59 HA CYS 8 HA CYS 8 22.248 -1.047 -5.019 60 HB2 CYS 8 HB2 CYS 8 19.395 -0.522 -4.075 61 HB3 CYS 8 HB3 CYS 8 20.615 -1.489 -3.225 62 H ALA 9 H ALA 9 19.613 -1.192 -7.233 63 HA ALA 9 HA ALA 9 18.509 -2.871 -8.278 64 HB1 ALA 9 HB1 ALA 9 21.045 -4.447 -7.682 65 HB2 ALA 9 HB2 ALA 9 19.842 -4.816 -8.938 66 HB3 ALA 9 HB3 ALA 9 20.812 -3.335 -9.056 67 H SER 10 H SER 10 17.913 -2.512 -5.534 68 HA SER 10 HA SER 10 17.057 -5.249 -4.787 69 HB2 SER 10 HB2 SER 10 19.162 -4.652 -3.592 70 HB3 SER 10 HB3 SER 10 18.334 -3.247 -2.898 71 HG SER 10 HG SER 10 18.242 -5.057 -1.511 72 H ARG 11 H ARG 11 15.238 -5.231 -3.268 73 HA ARG 11 HA ARG 11 13.385 -3.079 -3.999 74 HB2 ARG 11 HB2 ARG 11 13.022 -5.696 -2.498 75 HB3 ARG 11 HB3 ARG 11 11.714 -4.567 -2.891 76 HG2 ARG 11 HG2 ARG 11 12.319 -4.767 -5.317 77 HG3 ARG 11 HG3 ARG 11 13.507 -6.013 -4.881 78 HD2 ARG 11 HD2 ARG 11 10.521 -6.140 -4.290 79 HD3 ARG 11 HD3 ARG 11 11.320 -6.968 -5.632 80 HE ARG 11 HE ARG 11 11.396 -7.701 -2.788 81 HH11 ARG 11 HH11 ARG 11 12.858 -8.124 -5.981 82 HH12 ARG 11 HH12 ARG 11 13.596 -9.653 -5.565 83 HH21 ARG 11 HH21 ARG 11 12.371 -9.695 -2.276 84 HH22 ARG 11 HH22 ARG 11 13.320 -10.543 -3.474 85 H TYR 12 H TYR 12 12.142 -1.875 -2.562 86 HA TYR 12 HA TYR 12 12.720 -1.995 0.291 87 HB2 TYR 12 HB2 TYR 12 14.472 -0.531 -0.241 88 HB3 TYR 12 HB3 TYR 12 13.492 0.358 -1.408 89 HD1 TYR 12 HD1 TYR 12 14.124 -0.183 2.194 90 HD2 TYR 12 HD2 TYR 12 11.995 2.117 -0.746 91 HE1 TYR 12 HE1 TYR 12 13.528 1.484 3.937 92 HE2 TYR 12 HE2 TYR 12 11.419 3.804 0.982 93 HH TYR 12 HH TYR 12 12.418 3.437 4.404 94 H PHE 13 H PHE 13 11.052 -1.356 1.590 95 HA PHE 13 HA PHE 13 8.595 -0.923 0.019 96 HB2 PHE 13 HB2 PHE 13 7.475 -1.942 2.081 97 HB3 PHE 13 HB3 PHE 13 8.382 -2.963 0.965 98 HD1 PHE 13 HD1 PHE 13 8.439 -1.407 4.320 99 HD2 PHE 13 HD2 PHE 13 10.423 -4.082 1.599 100 HE1 PHE 13 HE1 PHE 13 9.850 -2.259 6.178 101 HE2 PHE 13 HE2 PHE 13 11.832 -4.925 3.453 102 HZ PHE 13 HZ PHE 13 11.546 -4.013 5.745 103 H VAL 14 H VAL 14 6.881 0.322 0.590 104 HA VAL 14 HA VAL 14 7.151 2.192 2.839 105 HB VAL 14 HB VAL 14 6.703 4.133 1.443 106 HG11 VAL 14 HG11 VAL 14 9.085 2.610 0.320 107 HG12 VAL 14 HG12 VAL 14 8.846 4.365 0.315 108 HG13 VAL 14 HG13 VAL 14 9.070 3.514 1.859 109 HG21 VAL 14 HG21 VAL 14 6.948 2.221 -0.920 110 HG22 VAL 14 HG22 VAL 14 5.463 3.057 -0.385 111 HG23 VAL 14 HG23 VAL 14 6.826 3.991 -1.033 112 H ASP 15 H ASP 15 5.055 3.363 3.205 113 HA ASP 15 HA ASP 15 2.836 1.576 2.922 114 HB2 ASP 15 HB2 ASP 15 3.008 4.475 3.799 115 HB3 ASP 15 HB3 ASP 15 1.526 3.507 3.848 116 H ASP 16 H ASP 16 0.817 1.927 1.822 117 HA ASP 16 HA ASP 16 1.230 2.648 -0.919 118 HB2 ASP 16 HB2 ASP 16 -1.286 2.008 0.657 119 HB3 ASP 16 HB3 ASP 16 -1.236 2.232 -1.097 120 H SER 17 H SER 17 0.577 4.610 1.790 121 HA SER 17 HA SER 17 -0.987 6.610 0.330 122 HB2 SER 17 HB2 SER 17 -0.886 7.836 2.450 123 HB3 SER 17 HB3 SER 17 -1.362 6.148 2.732 124 HG SER 17 HG SER 17 0.266 6.861 4.174 125 H LYS 18 H LYS 18 2.329 5.778 0.545 126 HA LYS 18 HA LYS 18 3.374 8.499 0.486 127 HB2 LYS 18 HB2 LYS 18 4.711 5.830 -0.087 128 HB3 LYS 18 HB3 LYS 18 5.539 7.376 0.160 129 HG2 LYS 18 HG2 LYS 18 3.833 5.878 2.204 130 HG3 LYS 18 HG3 LYS 18 5.593 6.037 2.218 131 HD2 LYS 18 HD2 LYS 18 3.567 8.294 2.554 132 HD3 LYS 18 HD3 LYS 18 4.584 7.588 3.815 133 HE2 LYS 18 HE2 LYS 18 6.620 8.310 2.599 134 HE3 LYS 18 HE3 LYS 18 5.612 9.050 1.346 135 HZ1 LYS 18 HZ1 LYS 18 5.637 9.806 4.193 136 HZ2 LYS 18 HZ2 LYS 18 6.332 10.654 2.964 137 HZ3 LYS 18 HZ3 LYS 18 4.699 10.496 3.025 138 H VAL 19 H VAL 19 1.835 6.540 -1.813 139 HA VAL 19 HA VAL 19 2.904 8.224 -3.990 140 HB VAL 19 HB VAL 19 2.692 5.211 -4.241 141 HG11 VAL 19 HG11 VAL 19 3.788 7.377 -6.088 142 HG12 VAL 19 HG12 VAL 19 3.887 5.623 -6.376 143 HG13 VAL 19 HG13 VAL 19 2.308 6.426 -6.341 144 HG21 VAL 19 HG21 VAL 19 5.193 5.284 -4.391 145 HG22 VAL 19 HG22 VAL 19 5.145 6.998 -3.933 146 HG23 VAL 19 HG23 VAL 19 4.596 5.746 -2.789 147 H GLY 20 H GLY 20 1.419 8.621 -5.668 148 HA2 GLY 20 HA2 GLY 20 -1.332 7.542 -5.210 149 HA3 GLY 20 HA3 GLY 20 -1.024 9.251 -5.546 150 HA PRO 21 HA PRO 21 -1.747 6.856 -9.510 151 HB2 PRO 21 HB2 PRO 21 -3.994 8.220 -10.332 152 HB3 PRO 21 HB3 PRO 21 -4.051 6.795 -9.246 153 HG2 PRO 21 HG2 PRO 21 -4.193 9.727 -8.524 154 HG3 PRO 21 HG3 PRO 21 -5.166 8.364 -7.877 155 HD2 PRO 21 HD2 PRO 21 -2.970 9.418 -6.582 156 HD3 PRO 21 HD3 PRO 21 -3.441 7.697 -6.438 157 H ASP 22 H ASP 22 -1.496 10.189 -8.487 158 HA ASP 22 HA ASP 22 -0.816 11.152 -11.173 159 HB2 ASP 22 HB2 ASP 22 -0.457 13.338 -9.964 160 HB3 ASP 22 HB3 ASP 22 -2.097 12.681 -9.937 161 H GLY 23 H GLY 23 0.784 9.357 -8.947 162 HA2 GLY 23 HA2 GLY 23 3.007 8.714 -8.970 163 HA3 GLY 23 HA3 GLY 23 3.391 10.038 -10.077 164 H ARG 24 H ARG 24 4.949 9.261 -7.815 165 HA ARG 24 HA ARG 24 5.146 11.820 -6.424 166 HB2 ARG 24 HB2 ARG 24 3.414 10.119 -5.272 167 HB3 ARG 24 HB3 ARG 24 4.903 9.397 -4.646 168 HG2 ARG 24 HG2 ARG 24 4.125 12.335 -4.341 169 HG3 ARG 24 HG3 ARG 24 3.823 11.082 -3.125 170 HD2 ARG 24 HD2 ARG 24 6.293 10.623 -3.062 171 HD3 ARG 24 HD3 ARG 24 6.530 12.032 -4.122 172 HE ARG 24 HE ARG 24 5.030 13.054 -2.066 173 HH11 ARG 24 HH11 ARG 24 8.053 11.225 -2.226 174 HH12 ARG 24 HH12 ARG 24 8.685 11.916 -0.747 175 HH21 ARG 24 HH21 ARG 24 5.868 13.922 -0.133 176 HH22 ARG 24 HH22 ARG 24 7.457 13.456 0.425 177 H VAL 25 H VAL 25 7.286 12.179 -5.943 178 HA VAL 25 HA VAL 25 9.236 10.254 -6.837 179 HB VAL 25 HB VAL 25 9.412 12.769 -6.985 180 HG11 VAL 25 HG11 VAL 25 10.200 12.477 -4.061 181 HG12 VAL 25 HG12 VAL 25 10.301 13.958 -5.031 182 HG13 VAL 25 HG13 VAL 25 8.708 13.254 -4.657 183 HG21 VAL 25 HG21 VAL 25 11.346 11.269 -7.369 184 HG22 VAL 25 HG22 VAL 25 11.836 12.798 -6.599 185 HG23 VAL 25 HG23 VAL 25 11.721 11.315 -5.630 186 H VAL 26 H VAL 26 10.886 9.198 -5.653 187 HA VAL 26 HA VAL 26 10.391 8.948 -2.738 188 HB VAL 26 HB VAL 26 10.480 6.602 -2.760 189 HG11 VAL 26 HG11 VAL 26 8.845 7.371 -5.222 190 HG12 VAL 26 HG12 VAL 26 8.610 5.946 -4.194 191 HG13 VAL 26 HG13 VAL 26 8.309 7.574 -3.537 192 HG21 VAL 26 HG21 VAL 26 11.216 6.770 -5.710 193 HG22 VAL 26 HG22 VAL 26 12.306 6.300 -4.386 194 HG23 VAL 26 HG23 VAL 26 10.923 5.269 -4.804 195 H ARG 27 H ARG 27 12.269 7.673 -1.670 196 HA ARG 27 HA ARG 27 14.854 8.372 -2.944 197 HB2 ARG 27 HB2 ARG 27 14.270 10.281 -1.539 198 HB3 ARG 27 HB3 ARG 27 13.946 9.204 -0.165 199 HG2 ARG 27 HG2 ARG 27 16.309 8.498 -0.135 200 HG3 ARG 27 HG3 ARG 27 16.639 9.499 -1.564 201 HD2 ARG 27 HD2 ARG 27 15.998 11.522 -0.306 202 HD3 ARG 27 HD3 ARG 27 15.652 10.542 1.126 203 HE ARG 27 HE ARG 27 18.288 11.292 0.073 204 HH11 ARG 27 HH11 ARG 27 16.468 9.163 2.240 205 HH12 ARG 27 HH12 ARG 27 17.853 8.799 3.239 206 HH21 ARG 27 HH21 ARG 27 20.080 10.808 1.403 207 HH22 ARG 27 HH22 ARG 27 19.893 9.731 2.767 208 H CYS 28 H CYS 28 16.508 7.016 -2.490 209 HA CYS 28 HA CYS 28 15.820 4.409 -1.432 210 HB2 CYS 28 HB2 CYS 28 17.298 4.851 -3.413 211 HB3 CYS 28 HB3 CYS 28 18.510 5.545 -2.321 212 H ALA 29 H ALA 29 16.338 3.527 0.511 213 HA ALA 29 HA ALA 29 17.423 5.262 2.591 214 HB1 ALA 29 HB1 ALA 29 16.601 2.329 2.607 215 HB2 ALA 29 HB2 ALA 29 16.952 3.317 4.044 216 HB3 ALA 29 HB3 ALA 29 15.545 3.702 3.023 217 H SER 30 H SER 30 18.816 3.320 0.167 218 HA SER 30 HA SER 30 21.048 2.480 1.948 219 HB2 SER 30 HB2 SER 30 19.908 1.275 -0.589 220 HB3 SER 30 HB3 SER 30 21.448 0.764 0.140 221 HG SER 30 HG SER 30 20.341 0.203 2.006 222 H CYS 31 H CYS 31 20.289 4.521 -0.802 223 HA CYS 31 HA CYS 31 23.133 5.249 -0.834 224 HB2 CYS 31 HB2 CYS 31 23.457 4.993 -3.189 225 HB3 CYS 31 HB3 CYS 31 22.848 3.444 -2.559 226 H GLY 32 H GLY 32 19.902 6.198 -0.855 227 HA2 GLY 32 HA2 GLY 32 19.140 8.361 -0.594 228 HA3 GLY 32 HA3 GLY 32 20.765 8.974 -0.958 229 H ASN 33 H ASN 33 19.964 6.838 -3.412 230 HA ASN 33 HA ASN 33 19.665 8.822 -5.418 231 HB2 ASN 33 HB2 ASN 33 20.456 6.443 -5.698 232 HB3 ASN 33 HB3 ASN 33 18.785 5.908 -5.479 233 HD21 ASN 33 HD22 ASN 33 18.671 5.003 -7.574 234 HD22 ASN 33 HD21 ASN 33 18.586 6.006 -9.007 235 H ARG 34 H ARG 34 17.786 9.330 -6.730 236 HA ARG 34 HA ARG 34 15.172 8.850 -5.389 237 HB2 ARG 34 HB2 ARG 34 16.205 11.545 -6.336 238 HB3 ARG 34 HB3 ARG 34 14.585 11.215 -5.680 239 HG2 ARG 34 HG2 ARG 34 15.609 10.494 -3.536 240 HG3 ARG 34 HG3 ARG 34 17.225 10.846 -4.188 241 HD2 ARG 34 HD2 ARG 34 14.967 12.859 -3.835 242 HD3 ARG 34 HD3 ARG 34 16.379 12.699 -2.773 243 HE ARG 34 HE ARG 34 16.268 14.040 -5.335 244 HH11 ARG 34 HH11 ARG 34 18.403 12.238 -3.169 245 HH12 ARG 34 HH12 ARG 34 19.854 12.998 -3.780 246 HH21 ARG 34 HH21 ARG 34 18.178 14.993 -6.133 247 HH22 ARG 34 HH22 ARG 34 19.728 14.537 -5.464 248 H TRP 35 H TRP 35 13.402 8.779 -6.729 249 HA TRP 35 HA TRP 35 13.550 9.532 -9.537 250 HB2 TRP 35 HB2 TRP 35 13.196 7.309 -10.437 251 HB3 TRP 35 HB3 TRP 35 14.727 7.352 -9.568 252 HD1 TRP 35 HD1 TRP 35 11.309 5.738 -9.557 253 HE1 TRP 35 HE1 TRP 35 11.177 3.876 -7.833 254 HE3 TRP 35 HE3 TRP 35 15.761 6.556 -7.172 255 HZ2 TRP 35 HZ2 TRP 35 12.797 2.862 -5.655 256 HZ3 TRP 35 HZ3 TRP 35 16.425 5.130 -5.262 257 HH2 TRP 35 HH2 TRP 35 14.960 3.285 -4.494 258 H THR 36 H THR 36 11.423 9.253 -10.585 259 HA THR 36 HA THR 36 9.300 9.618 -8.676 260 HB THR 36 HB THR 36 8.778 9.332 -11.612 261 HG1 THR 36 HG1 THR 36 9.464 11.474 -11.840 262 HG21 THR 36 HG21 THR 36 7.749 11.158 -9.403 263 HG22 THR 36 HG22 THR 36 7.187 11.148 -11.097 264 HG23 THR 36 HG23 THR 36 6.912 9.734 -10.063 265 H ALA 37 H ALA 37 7.640 8.338 -8.066 266 HA ALA 37 HA ALA 37 7.506 5.613 -9.270 267 HB1 ALA 37 HB1 ALA 37 6.824 4.810 -7.061 268 HB2 ALA 37 HB2 ALA 37 8.412 5.612 -6.967 269 HB3 ALA 37 HB3 ALA 37 6.950 6.460 -6.400 270 H PHE 38 H PHE 38 5.282 4.616 -9.017 271 HA PHE 38 HA PHE 38 3.112 6.531 -8.701 272 HB2 PHE 38 HB2 PHE 38 2.137 5.787 -10.965 273 HB3 PHE 38 HB3 PHE 38 3.379 7.040 -10.900 274 HD1 PHE 38 HD2 PHE 38 2.724 3.501 -11.789 275 HD2 PHE 38 HD1 PHE 38 5.571 6.729 -11.834 276 HE1 PHE 38 HE2 PHE 38 4.149 2.221 -13.359 277 HE2 PHE 38 HE1 PHE 38 7.000 5.433 -13.392 278 HZ PHE 38 HZ PHE 38 6.294 3.187 -14.159 279 H LYS 39 H LYS 39 1.021 5.692 -8.452 280 HA LYS 39 HA LYS 39 0.990 3.101 -7.186 281 HB2 LYS 39 HB2 LYS 39 -0.384 5.074 -6.485 282 HB3 LYS 39 HB3 LYS 39 -1.293 4.951 -7.998 283 HG2 LYS 39 HG2 LYS 39 -2.537 3.932 -6.163 284 HG3 LYS 39 HG3 LYS 39 -2.120 2.736 -7.392 285 HD2 LYS 39 HD2 LYS 39 -1.782 1.862 -5.106 286 HD3 LYS 39 HD3 LYS 39 -0.266 1.902 -6.005 287 HE2 LYS 39 HE2 LYS 39 0.099 2.721 -3.735 288 HE3 LYS 39 HE3 LYS 39 0.343 4.037 -4.888 289 HZ1 LYS 39 HZ1 LYS 39 -0.974 4.713 -2.995 290 HZ2 LYS 39 HZ2 LYS 39 -1.861 4.828 -4.371 291 HZ3 LYS 39 HZ3 LYS 39 -2.111 3.574 -3.326 292 H ASP 40 H ASP 40 -0.469 1.310 -7.800 293 HA ASP 40 HA ASP 40 -0.558 0.998 -10.772 294 HB2 ASP 40 HB2 ASP 40 1.165 -0.340 -9.566 295 HB3 ASP 40 HB3 ASP 40 -0.116 -1.056 -8.574 296 H GLU 41 H GLU 41 -2.329 0.981 -7.758 297 HA GLU 41 HA GLU 41 -4.516 -0.666 -8.607 298 HB2 GLU 41 HB2 GLU 41 -3.956 -0.220 -6.254 299 HB3 GLU 41 HB3 GLU 41 -4.265 1.515 -6.494 300 HG2 GLU 41 HG2 GLU 41 -6.601 1.068 -7.002 301 HG3 GLU 41 HG3 GLU 41 -6.320 -0.684 -6.899 302 H ALA 42 H ALA 42 -3.521 2.644 -9.164 303 HA ALA 42 HA ALA 42 -5.704 3.104 -11.029 304 HB1 ALA 42 HB1 ALA 42 -6.509 5.150 -9.878 305 HB2 ALA 42 HB2 ALA 42 -6.782 3.709 -8.874 306 HB3 ALA 42 HB3 ALA 42 -5.427 4.795 -8.503 307 H GLU 43 H GLU 43 -5.393 5.224 -12.146 308 HA GLU 43 HA GLU 43 -2.744 6.462 -11.832 309 HB2 GLU 43 HB2 GLU 43 -2.314 4.492 -13.266 310 HB3 GLU 43 HB3 GLU 43 -3.575 5.039 -14.391 311 HG2 GLU 43 HG2 GLU 43 -2.314 7.101 -14.841 312 HG3 GLU 43 HG3 GLU 43 -1.086 6.635 -13.654 313 H LEU 44 H LEU 44 -2.621 8.535 -12.772 314 HA LEU 44 HA LEU 44 -5.117 9.909 -12.985 315 HB2 LEU 44 HB2 LEU 44 -3.041 10.934 -12.133 316 HB3 LEU 44 HB3 LEU 44 -2.281 10.738 -13.718 317 HG LEU 44 HG LEU 44 -3.997 12.262 -14.716 318 HD11 LEU 44 HD11 LEU 44 -4.842 12.630 -11.805 319 HD12 LEU 44 HD12 LEU 44 -5.395 13.614 -13.174 320 HD13 LEU 44 HD13 LEU 44 -5.832 11.894 -13.090 321 HD21 LEU 44 HD21 LEU 44 -2.501 13.375 -12.303 322 HD22 LEU 44 HD22 LEU 44 -1.822 13.130 -13.928 323 HD23 LEU 44 HD23 LEU 44 -3.120 14.320 -13.677 324 H GLU 45 H GLU 45 -6.132 10.880 -14.787 325 HA GLU 45 HA GLU 45 -6.055 9.292 -17.177 326 HB2 GLU 45 HB2 GLU 45 -7.394 11.963 -16.592 327 HB3 GLU 45 HB3 GLU 45 -7.717 10.924 -18.000 328 HG2 GLU 45 HG2 GLU 45 -8.367 9.078 -16.439 329 HG3 GLU 45 HG3 GLU 45 -8.147 10.179 -15.072 330 H LEU 46 H LEU 46 -5.678 10.077 -19.363 331 HA LEU 46 HA LEU 46 -3.140 11.371 -19.619 332 HB2 LEU 46 HB2 LEU 46 -3.938 9.651 -21.176 333 HB3 LEU 46 HB3 LEU 46 -5.286 10.693 -21.659 334 HG LEU 46 HG LEU 46 -3.653 12.373 -22.541 335 HD11 LEU 46 HD11 LEU 46 -1.620 10.197 -21.888 336 HD12 LEU 46 HD12 LEU 46 -1.296 11.663 -22.844 337 HD13 LEU 46 HD13 LEU 46 -1.708 11.803 -21.120 338 HD21 LEU 46 HD21 LEU 46 -4.643 10.644 -24.009 339 HD22 LEU 46 HD22 LEU 46 -2.976 11.032 -24.503 340 HD23 LEU 46 HD23 LEU 46 -3.308 9.537 -23.605 341 H VAL 47 H VAL 47 -2.603 13.414 -20.450 342 HA VAL 47 HA VAL 47 -4.319 15.536 -19.645 343 HB VAL 47 HB VAL 47 -2.596 17.008 -20.429 344 HG11 VAL 47 HG11 VAL 47 -1.276 14.418 -19.491 345 HG12 VAL 47 HG12 VAL 47 -0.626 16.064 -19.328 346 HG13 VAL 47 HG13 VAL 47 -2.083 15.592 -18.425 347 HG21 VAL 47 HG21 VAL 47 -2.242 16.090 -22.673 348 HG22 VAL 47 HG22 VAL 47 -0.699 16.191 -21.805 349 HG23 VAL 47 HG23 VAL 47 -1.518 14.620 -21.984 350 HA PRO 48 HA PRO 48 -6.816 16.228 -23.194 351 HB2 PRO 48 HB2 PRO 48 -7.197 18.953 -23.098 352 HB3 PRO 48 HB3 PRO 48 -7.973 17.800 -21.968 353 HG2 PRO 48 HG2 PRO 48 -5.490 19.477 -21.538 354 HG3 PRO 48 HG3 PRO 48 -6.855 19.186 -20.408 355 HD2 PRO 48 HD2 PRO 48 -4.493 17.818 -20.248 356 HD3 PRO 48 HD3 PRO 48 -6.059 17.059 -19.837 357 H ARG 49 H ARG 49 -6.863 17.299 -25.322 358 HA ARG 49 HA ARG 49 -4.481 18.749 -26.193 359 HB2 ARG 49 HB2 ARG 49 -3.658 16.446 -26.311 360 HB3 ARG 49 HB3 ARG 49 -5.122 15.934 -27.169 361 HG2 ARG 49 HG2 ARG 49 -3.228 16.219 -28.724 362 HG3 ARG 49 HG3 ARG 49 -4.528 17.364 -29.090 363 HD2 ARG 49 HD2 ARG 49 -3.288 19.130 -27.817 364 HD3 ARG 49 HD3 ARG 49 -1.996 17.961 -27.496 365 HE ARG 49 HE ARG 49 -1.241 18.197 -29.679 366 HH11 ARG 49 HH11 ARG 49 -4.421 19.715 -29.344 367 HH12 ARG 49 HH12 ARG 49 -4.334 20.514 -30.895 368 HH21 ARG 49 HH21 ARG 49 -1.160 19.255 -31.704 369 HH22 ARG 49 HH22 ARG 49 -2.499 20.251 -32.227 Start of MODEL 3 1 H1 MET 1 H1 MET 1 2.363 -1.073 -0.502 2 H2 MET 1 H2 MET 1 3.728 -0.320 0.023 3 H3 MET 1 H3 MET 1 3.621 -1.958 0.101 4 HA MET 1 HA MET 1 3.597 -2.169 -2.247 5 HB2 MET 1 HB2 MET 1 3.896 -0.192 -3.673 6 HB3 MET 1 HB3 MET 1 2.401 -0.079 -2.728 7 HG2 MET 1 HG2 MET 1 3.661 1.310 -1.037 8 HG3 MET 1 HG3 MET 1 5.029 1.338 -2.158 9 HE1 MET 1 HE1 MET 1 5.049 2.577 -4.469 10 HE2 MET 1 HE2 MET 1 3.655 1.597 -4.989 11 HE3 MET 1 HE3 MET 1 3.627 3.365 -5.183 12 H ILE 2 H ILE 2 5.609 -1.907 -3.655 13 HA ILE 2 HA ILE 2 7.987 -1.255 -2.009 14 HB ILE 2 HB ILE 2 7.175 -3.745 -1.912 15 HG12 ILE 2 HG12 ILE 2 10.076 -3.221 -2.632 16 HG13 ILE 2 HG13 ILE 2 9.340 -2.675 -1.107 17 HG21 ILE 2 HG21 ILE 2 8.759 -3.778 -4.519 18 HG22 ILE 2 HG22 ILE 2 8.079 -5.181 -3.680 19 HG23 ILE 2 HG23 ILE 2 6.993 -3.981 -4.417 20 HD11 ILE 2 HD11 ILE 2 9.473 -5.565 -2.052 21 HD12 ILE 2 HD12 ILE 2 10.450 -4.833 -0.764 22 HD13 ILE 2 HD13 ILE 2 8.689 -4.989 -0.561 23 H LEU 3 H LEU 3 9.874 -0.814 -3.214 24 HA LEU 3 HA LEU 3 9.513 -0.519 -6.155 25 HB2 LEU 3 HB2 LEU 3 10.556 1.547 -4.184 26 HB3 LEU 3 HB3 LEU 3 10.667 1.700 -5.946 27 HG LEU 3 HG LEU 3 8.023 1.369 -4.456 28 HD11 LEU 3 HD11 LEU 3 9.190 3.455 -3.782 29 HD12 LEU 3 HD12 LEU 3 9.363 3.894 -5.503 30 HD13 LEU 3 HD13 LEU 3 7.748 3.789 -4.761 31 HD21 LEU 3 HD21 LEU 3 7.961 0.749 -6.846 32 HD22 LEU 3 HD22 LEU 3 7.110 2.293 -6.580 33 HD23 LEU 3 HD23 LEU 3 8.748 2.290 -7.270 34 H THR 4 H THR 4 11.426 -0.690 -7.370 35 HA THR 4 HA THR 4 13.719 -1.809 -5.880 36 HB THR 4 HB THR 4 13.460 -1.817 -8.870 37 HG1 THR 4 HG1 THR 4 12.402 -3.786 -8.641 38 HG21 THR 4 HG21 THR 4 14.811 -3.868 -8.626 39 HG22 THR 4 HG22 THR 4 15.619 -2.483 -7.861 40 HG23 THR 4 HG23 THR 4 14.780 -3.688 -6.858 41 H CYS 5 H CYS 5 15.702 -0.901 -5.767 42 HA CYS 5 HA CYS 5 15.937 1.873 -6.573 43 HB2 CYS 5 HB2 CYS 5 16.896 1.058 -4.472 44 HB3 CYS 5 HB3 CYS 5 17.945 -0.065 -5.371 45 HA PRO 6 HA PRO 6 17.709 1.002 -10.597 46 HB2 PRO 6 HB2 PRO 6 18.848 3.745 -10.341 47 HB3 PRO 6 HB3 PRO 6 17.797 3.072 -11.628 48 HG2 PRO 6 HG2 PRO 6 16.841 4.841 -9.765 49 HG3 PRO 6 HG3 PRO 6 15.847 3.480 -10.387 50 HD2 PRO 6 HD2 PRO 6 17.342 3.659 -7.776 51 HD3 PRO 6 HD3 PRO 6 15.718 2.992 -8.132 52 H GLU 7 H GLU 7 19.413 1.890 -7.693 53 HA GLU 7 HA GLU 7 22.043 1.369 -9.014 54 HB2 GLU 7 HB2 GLU 7 21.397 2.958 -6.502 55 HB3 GLU 7 HB3 GLU 7 23.016 2.725 -7.184 56 HG2 GLU 7 HG2 GLU 7 20.689 4.068 -8.624 57 HG3 GLU 7 HG3 GLU 7 21.984 4.922 -7.772 58 H CYS 8 H CYS 8 20.124 0.749 -6.017 59 HA CYS 8 HA CYS 8 22.151 -1.121 -5.043 60 HB2 CYS 8 HB2 CYS 8 19.298 -0.603 -4.084 61 HB3 CYS 8 HB3 CYS 8 20.511 -1.584 -3.254 62 H ALA 9 H ALA 9 19.508 -1.234 -7.247 63 HA ALA 9 HA ALA 9 18.385 -2.908 -8.289 64 HB1 ALA 9 HB1 ALA 9 19.709 -4.848 -8.976 65 HB2 ALA 9 HB2 ALA 9 20.662 -3.352 -9.115 66 HB3 ALA 9 HB3 ALA 9 20.937 -4.465 -7.750 67 H SER 10 H SER 10 17.792 -2.572 -5.558 68 HA SER 10 HA SER 10 17.013 -5.324 -4.774 69 HB2 SER 10 HB2 SER 10 19.145 -4.641 -3.621 70 HB3 SER 10 HB3 SER 10 18.267 -3.267 -2.923 71 HG SER 10 HG SER 10 17.765 -6.034 -2.537 72 H ARG 11 H ARG 11 15.308 -5.274 -3.045 73 HA ARG 11 HA ARG 11 13.292 -3.314 -3.897 74 HB2 ARG 11 HB2 ARG 11 13.081 -5.671 -1.986 75 HB3 ARG 11 HB3 ARG 11 11.738 -4.769 -2.709 76 HG2 ARG 11 HG2 ARG 11 13.787 -6.453 -4.224 77 HG3 ARG 11 HG3 ARG 11 12.106 -6.902 -3.888 78 HD2 ARG 11 HD2 ARG 11 11.340 -4.921 -5.172 79 HD3 ARG 11 HD3 ARG 11 13.024 -4.528 -5.562 80 HE ARG 11 HE ARG 11 13.108 -6.845 -6.635 81 HH11 ARG 11 HH11 ARG 11 10.140 -4.936 -6.446 82 HH12 ARG 11 HH12 ARG 11 9.415 -5.707 -7.839 83 HH21 ARG 11 HH21 ARG 11 12.149 -7.823 -8.455 84 HH22 ARG 11 HH22 ARG 11 10.563 -7.319 -8.989 85 H TYR 12 H TYR 12 12.095 -2.004 -2.530 86 HA TYR 12 HA TYR 12 12.757 -1.851 0.304 87 HB2 TYR 12 HB2 TYR 12 14.465 -0.407 -0.393 88 HB3 TYR 12 HB3 TYR 12 13.448 0.347 -1.624 89 HD1 TYR 12 HD2 TYR 12 14.169 0.176 1.996 90 HD2 TYR 12 HD1 TYR 12 11.903 2.127 -1.095 91 HE1 TYR 12 HE2 TYR 12 13.577 1.993 3.583 92 HE2 TYR 12 HE1 TYR 12 11.329 3.960 0.478 93 HH TYR 12 HH TYR 12 12.475 3.984 3.874 94 H PHE 13 H PHE 13 11.063 -1.252 1.562 95 HA PHE 13 HA PHE 13 8.597 -0.847 -0.008 96 HB2 PHE 13 HB2 PHE 13 7.491 -1.875 2.065 97 HB3 PHE 13 HB3 PHE 13 8.363 -2.893 0.928 98 HD1 PHE 13 HD2 PHE 13 8.562 -1.304 4.275 99 HD2 PHE 13 HD1 PHE 13 10.350 -4.087 1.530 100 HE1 PHE 13 HE2 PHE 13 9.997 -2.185 6.097 101 HE2 PHE 13 HE1 PHE 13 11.793 -4.955 3.342 102 HZ PHE 13 HZ PHE 13 11.620 -4.005 5.634 103 H VAL 14 H VAL 14 6.869 0.359 0.586 104 HA VAL 14 HA VAL 14 7.141 2.243 2.832 105 HB VAL 14 HB VAL 14 6.626 4.164 1.404 106 HG11 VAL 14 HG11 VAL 14 9.060 2.687 0.331 107 HG12 VAL 14 HG12 VAL 14 8.775 4.437 0.302 108 HG13 VAL 14 HG13 VAL 14 9.006 3.609 1.858 109 HG21 VAL 14 HG21 VAL 14 5.430 3.011 -0.406 110 HG22 VAL 14 HG22 VAL 14 6.758 3.996 -1.054 111 HG23 VAL 14 HG23 VAL 14 6.939 2.230 -0.926 112 H ASP 15 H ASP 15 5.036 3.382 3.233 113 HA ASP 15 HA ASP 15 2.850 1.559 2.997 114 HB2 ASP 15 HB2 ASP 15 2.974 4.465 3.851 115 HB3 ASP 15 HB3 ASP 15 1.514 3.474 3.938 116 H ASP 16 H ASP 16 0.800 1.858 1.932 117 HA ASP 16 HA ASP 16 1.148 2.554 -0.820 118 HB2 ASP 16 HB2 ASP 16 -1.323 1.888 0.811 119 HB3 ASP 16 HB3 ASP 16 -1.319 2.081 -0.949 120 H SER 17 H SER 17 0.568 4.568 1.850 121 HA SER 17 HA SER 17 -1.082 6.499 0.376 122 HB2 SER 17 HB2 SER 17 -1.000 7.764 2.478 123 HB3 SER 17 HB3 SER 17 -1.451 6.074 2.789 124 HG SER 17 HG SER 17 0.180 6.839 4.217 125 H LYS 18 H LYS 18 2.239 5.728 0.586 126 HA LYS 18 HA LYS 18 3.236 8.468 0.507 127 HB2 LYS 18 HB2 LYS 18 4.660 5.846 -0.076 128 HB3 LYS 18 HB3 LYS 18 5.419 7.409 0.252 129 HG2 LYS 18 HG2 LYS 18 3.711 5.761 2.177 130 HG3 LYS 18 HG3 LYS 18 5.462 5.992 2.256 131 HD2 LYS 18 HD2 LYS 18 3.355 8.171 2.604 132 HD3 LYS 18 HD3 LYS 18 4.320 7.415 3.883 133 HE2 LYS 18 HE2 LYS 18 6.393 8.242 2.784 134 HE3 LYS 18 HE3 LYS 18 5.408 9.058 1.555 135 HZ1 LYS 18 HZ1 LYS 18 6.028 10.561 3.314 136 HZ2 LYS 18 HZ2 LYS 18 4.399 10.352 3.308 137 HZ3 LYS 18 HZ3 LYS 18 5.317 9.598 4.443 138 H VAL 19 H VAL 19 1.745 6.459 -1.777 139 HA VAL 19 HA VAL 19 2.799 8.132 -3.964 140 HB VAL 19 HB VAL 19 2.641 5.114 -4.184 141 HG11 VAL 19 HG11 VAL 19 3.892 5.530 -6.303 142 HG12 VAL 19 HG12 VAL 19 2.288 6.298 -6.309 143 HG13 VAL 19 HG13 VAL 19 3.745 7.279 -6.025 144 HG21 VAL 19 HG21 VAL 19 5.079 6.915 -3.844 145 HG22 VAL 19 HG22 VAL 19 4.495 5.670 -2.703 146 HG23 VAL 19 HG23 VAL 19 5.131 5.199 -4.289 147 H GLY 20 H GLY 20 1.345 8.497 -5.651 148 HA2 GLY 20 HA2 GLY 20 -1.361 7.260 -5.349 149 HA3 GLY 20 HA3 GLY 20 -1.146 8.991 -5.625 150 HA PRO 21 HA PRO 21 -1.445 6.683 -9.695 151 HB2 PRO 21 HB2 PRO 21 -3.731 7.902 -10.626 152 HB3 PRO 21 HB3 PRO 21 -3.746 6.427 -9.613 153 HG2 PRO 21 HG2 PRO 21 -4.203 9.294 -8.788 154 HG3 PRO 21 HG3 PRO 21 -5.073 7.822 -8.247 155 HD2 PRO 21 HD2 PRO 21 -3.057 9.031 -6.787 156 HD3 PRO 21 HD3 PRO 21 -3.392 7.279 -6.706 157 H ASP 22 H ASP 22 -1.632 10.020 -8.579 158 HA ASP 22 HA ASP 22 -0.889 11.177 -11.141 159 HB2 ASP 22 HB2 ASP 22 -1.007 12.259 -8.304 160 HB3 ASP 22 HB3 ASP 22 -0.585 13.230 -9.729 161 H GLY 23 H GLY 23 0.789 9.284 -8.973 162 HA2 GLY 23 HA2 GLY 23 3.032 8.720 -9.039 163 HA3 GLY 23 HA3 GLY 23 3.376 10.124 -10.059 164 H ARG 24 H ARG 24 4.969 9.333 -7.868 165 HA ARG 24 HA ARG 24 5.043 11.826 -6.363 166 HB2 ARG 24 HB2 ARG 24 3.576 9.663 -5.275 167 HB3 ARG 24 HB3 ARG 24 5.143 9.586 -4.467 168 HG2 ARG 24 HG2 ARG 24 3.287 12.013 -4.639 169 HG3 ARG 24 HG3 ARG 24 3.529 10.995 -3.214 170 HD2 ARG 24 HD2 ARG 24 5.645 12.723 -4.559 171 HD3 ARG 24 HD3 ARG 24 4.803 13.096 -3.051 172 HE ARG 24 HE ARG 24 6.862 10.991 -3.465 173 HH11 ARG 24 HH11 ARG 24 4.691 12.706 -1.269 174 HH12 ARG 24 HH12 ARG 24 5.516 12.150 0.168 175 HH21 ARG 24 HH21 ARG 24 7.916 10.280 -1.595 176 HH22 ARG 24 HH22 ARG 24 7.344 10.775 -0.017 177 H VAL 25 H VAL 25 7.171 12.220 -5.646 178 HA VAL 25 HA VAL 25 9.181 10.432 -6.710 179 HB VAL 25 HB VAL 25 9.287 12.955 -6.697 180 HG11 VAL 25 HG11 VAL 25 10.071 12.504 -3.788 181 HG12 VAL 25 HG12 VAL 25 10.121 14.050 -4.670 182 HG13 VAL 25 HG13 VAL 25 8.561 13.270 -4.337 183 HG21 VAL 25 HG21 VAL 25 11.262 11.523 -7.162 184 HG22 VAL 25 HG22 VAL 25 11.702 13.019 -6.315 185 HG23 VAL 25 HG23 VAL 25 11.638 11.482 -5.422 186 H VAL 26 H VAL 26 10.857 9.365 -5.588 187 HA VAL 26 HA VAL 26 10.442 8.949 -2.682 188 HB VAL 26 HB VAL 26 10.531 6.596 -2.825 189 HG11 VAL 26 HG11 VAL 26 8.309 7.566 -3.379 190 HG12 VAL 26 HG12 VAL 26 8.735 7.519 -5.111 191 HG13 VAL 26 HG13 VAL 26 8.581 6.008 -4.194 192 HG21 VAL 26 HG21 VAL 26 11.064 6.911 -5.807 193 HG22 VAL 26 HG22 VAL 26 12.252 6.393 -4.585 194 HG23 VAL 26 HG23 VAL 26 10.842 5.374 -4.947 195 H ARG 27 H ARG 27 12.359 7.791 -1.674 196 HA ARG 27 HA ARG 27 14.862 8.301 -3.166 197 HB2 ARG 27 HB2 ARG 27 14.327 10.360 -1.871 198 HB3 ARG 27 HB3 ARG 27 14.328 9.408 -0.375 199 HG2 ARG 27 HG2 ARG 27 16.689 8.803 -0.726 200 HG3 ARG 27 HG3 ARG 27 16.685 9.634 -2.297 201 HD2 ARG 27 HD2 ARG 27 16.133 11.768 -1.120 202 HD3 ARG 27 HD3 ARG 27 16.260 10.915 0.425 203 HE ARG 27 HE ARG 27 18.546 11.063 -1.510 204 HH11 ARG 27 HH11 ARG 27 17.240 11.543 1.741 205 HH12 ARG 27 HH12 ARG 27 18.798 11.915 2.439 206 HH21 ARG 27 HH21 ARG 27 20.565 11.545 -0.572 207 HH22 ARG 27 HH22 ARG 27 20.680 11.906 1.133 208 H CYS 28 H CYS 28 16.571 7.018 -2.608 209 HA CYS 28 HA CYS 28 15.850 4.486 -1.417 210 HB2 CYS 28 HB2 CYS 28 17.299 4.825 -3.431 211 HB3 CYS 28 HB3 CYS 28 18.544 5.528 -2.378 212 H ALA 29 H ALA 29 16.346 3.687 0.567 213 HA ALA 29 HA ALA 29 17.557 5.458 2.555 214 HB1 ALA 29 HB1 ALA 29 15.631 4.015 3.098 215 HB2 ALA 29 HB2 ALA 29 16.595 2.574 2.697 216 HB3 ALA 29 HB3 ALA 29 17.045 3.593 4.087 217 H SER 30 H SER 30 18.791 3.322 0.190 218 HA SER 30 HA SER 30 21.024 2.464 1.952 219 HB2 SER 30 HB2 SER 30 19.822 1.262 -0.556 220 HB3 SER 30 HB3 SER 30 21.351 0.712 0.163 221 HG SER 30 HG SER 30 19.513 -0.461 0.928 222 H CYS 31 H CYS 31 20.323 4.486 -0.830 223 HA CYS 31 HA CYS 31 23.203 5.082 -0.902 224 HB2 CYS 31 HB2 CYS 31 23.472 4.795 -3.262 225 HB3 CYS 31 HB3 CYS 31 22.819 3.284 -2.597 226 H GLY 32 H GLY 32 20.008 6.182 -0.906 227 HA2 GLY 32 HA2 GLY 32 19.345 8.376 -0.659 228 HA3 GLY 32 HA3 GLY 32 20.992 8.908 -1.046 229 H ASN 33 H ASN 33 20.014 6.766 -3.460 230 HA ASN 33 HA ASN 33 19.823 8.742 -5.487 231 HB2 ASN 33 HB2 ASN 33 20.447 6.324 -5.750 232 HB3 ASN 33 HB3 ASN 33 18.751 5.897 -5.486 233 HD21 ASN 33 HD22 ASN 33 18.599 4.954 -7.584 234 HD22 ASN 33 HD21 ASN 33 18.496 5.951 -9.021 235 H ARG 34 H ARG 34 17.959 9.358 -6.786 236 HA ARG 34 HA ARG 34 15.351 9.151 -5.370 237 HB2 ARG 34 HB2 ARG 34 16.376 11.179 -4.554 238 HB3 ARG 34 HB3 ARG 34 16.788 11.694 -6.198 239 HG2 ARG 34 HG2 ARG 34 14.399 11.895 -6.771 240 HG3 ARG 34 HG3 ARG 34 13.943 11.305 -5.159 241 HD2 ARG 34 HD2 ARG 34 13.800 13.744 -5.213 242 HD3 ARG 34 HD3 ARG 34 15.088 13.231 -4.122 243 HE ARG 34 HE ARG 34 16.710 14.092 -5.583 244 HH11 ARG 34 HH11 ARG 34 13.474 14.345 -6.987 245 HH12 ARG 34 HH12 ARG 34 13.983 15.442 -8.248 246 HH21 ARG 34 HH21 ARG 34 17.342 15.528 -7.239 247 HH22 ARG 34 HH22 ARG 34 16.159 16.111 -8.388 248 H TRP 35 H TRP 35 13.605 8.991 -6.683 249 HA TRP 35 HA TRP 35 13.668 9.867 -9.454 250 HB2 TRP 35 HB2 TRP 35 13.374 7.688 -10.448 251 HB3 TRP 35 HB3 TRP 35 14.896 7.699 -9.564 252 HD1 TRP 35 HD1 TRP 35 11.539 6.013 -9.743 253 HE1 TRP 35 HE1 TRP 35 11.375 4.085 -8.102 254 HE3 TRP 35 HE3 TRP 35 15.838 6.853 -7.091 255 HZ2 TRP 35 HZ2 TRP 35 12.899 3.024 -5.890 256 HZ3 TRP 35 HZ3 TRP 35 16.438 5.367 -5.213 257 HH2 TRP 35 HH2 TRP 35 14.993 3.450 -4.604 258 H THR 36 H THR 36 11.523 9.472 -10.495 259 HA THR 36 HA THR 36 9.418 9.761 -8.527 260 HB THR 36 HB THR 36 8.875 9.605 -11.461 261 HG1 THR 36 HG1 THR 36 9.501 11.775 -11.585 262 HG21 THR 36 HG21 THR 36 7.004 9.907 -9.896 263 HG22 THR 36 HG22 THR 36 7.824 11.305 -9.156 264 HG23 THR 36 HG23 THR 36 7.257 11.394 -10.843 265 H ALA 37 H ALA 37 7.671 8.484 -8.082 266 HA ALA 37 HA ALA 37 7.668 5.759 -9.291 267 HB1 ALA 37 HB1 ALA 37 7.018 6.574 -6.431 268 HB2 ALA 37 HB2 ALA 37 6.939 4.928 -7.089 269 HB3 ALA 37 HB3 ALA 37 8.511 5.751 -6.962 270 H PHE 38 H PHE 38 5.475 4.709 -9.150 271 HA PHE 38 HA PHE 38 3.234 6.531 -8.788 272 HB2 PHE 38 HB2 PHE 38 2.315 5.874 -11.096 273 HB3 PHE 38 HB3 PHE 38 3.506 7.168 -10.946 274 HD1 PHE 38 HD1 PHE 38 2.997 3.658 -12.026 275 HD2 PHE 38 HD2 PHE 38 5.722 6.985 -11.871 276 HE1 PHE 38 HE1 PHE 38 4.487 2.516 -13.651 277 HE2 PHE 38 HE2 PHE 38 7.203 5.844 -13.495 278 HZ PHE 38 HZ PHE 38 6.589 3.614 -14.385 279 H LYS 39 H LYS 39 1.206 5.626 -8.543 280 HA LYS 39 HA LYS 39 1.293 2.928 -7.480 281 HB2 LYS 39 HB2 LYS 39 0.034 4.669 -6.370 282 HB3 LYS 39 HB3 LYS 39 -0.957 4.950 -7.817 283 HG2 LYS 39 HG2 LYS 39 -2.028 2.825 -7.642 284 HG3 LYS 39 HG3 LYS 39 -0.838 2.237 -6.457 285 HD2 LYS 39 HD2 LYS 39 -2.728 4.566 -5.935 286 HD3 LYS 39 HD3 LYS 39 -3.065 2.885 -5.466 287 HE2 LYS 39 HE2 LYS 39 -0.947 2.840 -4.153 288 HE3 LYS 39 HE3 LYS 39 -0.660 4.534 -4.572 289 HZ1 LYS 39 HZ1 LYS 39 -2.966 3.508 -3.058 290 HZ2 LYS 39 HZ2 LYS 39 -1.684 4.330 -2.434 291 HZ3 LYS 39 HZ3 LYS 39 -2.720 5.088 -3.465 292 H ASP 40 H ASP 40 -0.065 1.176 -8.111 293 HA ASP 40 HA ASP 40 -1.218 1.227 -10.822 294 HB2 ASP 40 HB2 ASP 40 1.249 0.669 -11.017 295 HB3 ASP 40 HB3 ASP 40 0.944 -0.758 -10.007 296 H GLU 41 H GLU 41 -2.065 0.970 -7.925 297 HA GLU 41 HA GLU 41 -2.658 -1.748 -7.322 298 HB2 GLU 41 HB2 GLU 41 -2.516 0.061 -5.670 299 HB3 GLU 41 HB3 GLU 41 -3.911 0.873 -6.423 300 HG2 GLU 41 HG2 GLU 41 -5.359 -1.008 -5.853 301 HG3 GLU 41 HG3 GLU 41 -3.980 -1.911 -5.196 302 H ALA 42 H ALA 42 -4.155 0.612 -9.436 303 HA ALA 42 HA ALA 42 -6.143 -1.342 -10.300 304 HB1 ALA 42 HB1 ALA 42 -8.061 0.163 -9.874 305 HB2 ALA 42 HB2 ALA 42 -7.252 -0.298 -8.355 306 HB3 ALA 42 HB3 ALA 42 -6.978 1.313 -9.065 307 H GLU 43 H GLU 43 -7.373 -0.509 -12.200 308 HA GLU 43 HA GLU 43 -6.324 1.877 -13.530 309 HB2 GLU 43 HB2 GLU 43 -4.629 0.149 -14.093 310 HB3 GLU 43 HB3 GLU 43 -5.912 -0.930 -14.642 311 HG2 GLU 43 HG2 GLU 43 -4.926 0.047 -16.588 312 HG3 GLU 43 HG3 GLU 43 -6.528 0.766 -16.400 313 H LEU 44 H LEU 44 -7.743 2.629 -15.146 314 HA LEU 44 HA LEU 44 -10.186 1.027 -15.653 315 HB2 LEU 44 HB2 LEU 44 -10.086 3.850 -14.506 316 HB3 LEU 44 HB3 LEU 44 -11.545 3.107 -15.176 317 HG LEU 44 HG LEU 44 -9.970 1.938 -12.841 318 HD11 LEU 44 HD11 LEU 44 -12.527 3.587 -12.879 319 HD12 LEU 44 HD12 LEU 44 -11.804 2.814 -11.448 320 HD13 LEU 44 HD13 LEU 44 -10.943 4.130 -12.277 321 HD21 LEU 44 HD21 LEU 44 -12.745 1.346 -13.973 322 HD22 LEU 44 HD22 LEU 44 -11.328 0.274 -14.086 323 HD23 LEU 44 HD23 LEU 44 -12.050 0.620 -12.506 324 H GLU 45 H GLU 45 -11.550 2.015 -17.373 325 HA GLU 45 HA GLU 45 -10.012 3.727 -19.253 326 HB2 GLU 45 HB2 GLU 45 -11.434 1.130 -19.950 327 HB3 GLU 45 HB3 GLU 45 -10.735 2.268 -21.115 328 HG2 GLU 45 HG2 GLU 45 -8.499 1.959 -20.019 329 HG3 GLU 45 HG3 GLU 45 -9.217 0.727 -18.966 330 H LEU 46 H LEU 46 -12.575 3.666 -17.341 331 HA LEU 46 HA LEU 46 -14.720 4.360 -19.163 332 HB2 LEU 46 HB2 LEU 46 -14.415 4.831 -16.171 333 HB3 LEU 46 HB3 LEU 46 -15.922 4.950 -17.094 334 HG LEU 46 HG LEU 46 -14.251 2.414 -16.774 335 HD11 LEU 46 HD11 LEU 46 -16.904 3.243 -15.526 336 HD12 LEU 46 HD12 LEU 46 -16.111 1.664 -15.338 337 HD13 LEU 46 HD13 LEU 46 -15.346 3.122 -14.673 338 HD21 LEU 46 HD21 LEU 46 -16.989 2.909 -18.023 339 HD22 LEU 46 HD22 LEU 46 -15.510 2.437 -18.892 340 HD23 LEU 46 HD23 LEU 46 -16.259 1.310 -17.749 341 H VAL 47 H VAL 47 -11.904 5.932 -18.520 342 HA VAL 47 HA VAL 47 -13.090 8.590 -19.060 343 HB VAL 47 HB VAL 47 -11.671 9.652 -17.398 344 HG11 VAL 47 HG11 VAL 47 -13.128 7.303 -16.119 345 HG12 VAL 47 HG12 VAL 47 -12.704 8.846 -15.348 346 HG13 VAL 47 HG13 VAL 47 -13.895 8.815 -16.665 347 HG21 VAL 47 HG21 VAL 47 -10.735 6.842 -16.686 348 HG22 VAL 47 HG22 VAL 47 -9.751 8.102 -17.469 349 HG23 VAL 47 HG23 VAL 47 -10.333 8.332 -15.807 350 HA PRO 48 HA PRO 48 -9.984 9.080 -22.087 351 HB2 PRO 48 HB2 PRO 48 -8.977 11.540 -20.683 352 HB3 PRO 48 HB3 PRO 48 -9.462 11.338 -22.398 353 HG2 PRO 48 HG2 PRO 48 -11.106 12.574 -20.614 354 HG3 PRO 48 HG3 PRO 48 -11.767 11.453 -21.851 355 HD2 PRO 48 HD2 PRO 48 -11.222 10.945 -18.930 356 HD3 PRO 48 HD3 PRO 48 -12.606 10.401 -19.938 357 H ARG 49 H ARG 49 -7.772 8.679 -22.520 358 HA ARG 49 HA ARG 49 -5.919 8.361 -20.259 359 HB2 ARG 49 HB2 ARG 49 -7.344 6.339 -20.160 360 HB3 ARG 49 HB3 ARG 49 -6.970 5.992 -21.857 361 HG2 ARG 49 HG2 ARG 49 -4.561 5.769 -21.275 362 HG3 ARG 49 HG3 ARG 49 -4.952 6.117 -19.574 363 HD2 ARG 49 HD2 ARG 49 -6.508 4.155 -19.574 364 HD3 ARG 49 HD3 ARG 49 -6.000 3.776 -21.226 365 HE ARG 49 HE ARG 49 -4.535 3.280 -18.755 366 HH11 ARG 49 HH11 ARG 49 -4.246 3.716 -22.249 367 HH12 ARG 49 HH12 ARG 49 -2.722 2.861 -22.346 368 HH21 ARG 49 HH21 ARG 49 -2.555 2.189 -18.905 369 HH22 ARG 49 HH22 ARG 49 -1.768 1.989 -20.454 Start of MODEL 4 1 H1 MET 1 H1 MET 1 2.541 -0.425 -0.728 2 H2 MET 1 H2 MET 1 3.905 -0.272 0.180 3 H3 MET 1 H3 MET 1 3.518 -1.730 -0.487 4 HA MET 1 HA MET 1 3.824 -0.895 -2.680 5 HB2 MET 1 HB2 MET 1 3.191 1.399 -2.406 6 HB3 MET 1 HB3 MET 1 4.441 1.658 -1.176 7 HG2 MET 1 HG2 MET 1 5.207 2.647 -3.223 8 HG3 MET 1 HG3 MET 1 6.195 1.234 -2.898 9 HE1 MET 1 HE1 MET 1 3.863 3.094 -5.260 10 HE2 MET 1 HE2 MET 1 3.137 1.837 -6.294 11 HE3 MET 1 HE3 MET 1 2.667 1.968 -4.580 12 H ILE 2 H ILE 2 5.753 -1.473 -3.635 13 HA ILE 2 HA ILE 2 8.211 -1.131 -2.041 14 HB ILE 2 HB ILE 2 7.090 -3.521 -1.903 15 HG12 ILE 2 HG12 ILE 2 10.040 -3.294 -2.616 16 HG13 ILE 2 HG13 ILE 2 9.356 -2.681 -1.095 17 HG21 ILE 2 HG21 ILE 2 8.681 -3.769 -4.486 18 HG22 ILE 2 HG22 ILE 2 7.836 -5.069 -3.632 19 HG23 ILE 2 HG23 ILE 2 6.899 -3.769 -4.401 20 HD11 ILE 2 HD11 ILE 2 10.261 -4.929 -0.746 21 HD12 ILE 2 HD12 ILE 2 8.495 -4.930 -0.548 22 HD13 ILE 2 HD13 ILE 2 9.228 -5.573 -2.043 23 H LEU 3 H LEU 3 9.995 -0.634 -3.290 24 HA LEU 3 HA LEU 3 9.575 -0.492 -6.238 25 HB2 LEU 3 HB2 LEU 3 10.534 1.711 -4.375 26 HB3 LEU 3 HB3 LEU 3 10.619 1.795 -6.139 27 HG LEU 3 HG LEU 3 7.991 1.356 -4.642 28 HD11 LEU 3 HD11 LEU 3 9.207 3.940 -5.676 29 HD12 LEU 3 HD12 LEU 3 7.589 3.746 -4.958 30 HD13 LEU 3 HD13 LEU 3 9.030 3.492 -3.957 31 HD21 LEU 3 HD21 LEU 3 7.999 0.732 -7.049 32 HD22 LEU 3 HD22 LEU 3 7.035 2.197 -6.764 33 HD23 LEU 3 HD23 LEU 3 8.671 2.331 -7.450 34 H THR 4 H THR 4 11.425 -0.750 -7.484 35 HA THR 4 HA THR 4 13.767 -1.763 -6.035 36 HB THR 4 HB THR 4 13.492 -1.727 -9.029 37 HG1 THR 4 HG1 THR 4 12.461 -3.727 -8.802 38 HG21 THR 4 HG21 THR 4 14.868 -3.768 -8.820 39 HG22 THR 4 HG22 THR 4 15.668 -2.384 -8.057 40 HG23 THR 4 HG23 THR 4 14.847 -3.600 -7.047 41 H CYS 5 H CYS 5 15.730 -0.835 -5.882 42 HA CYS 5 HA CYS 5 15.945 1.961 -6.621 43 HB2 CYS 5 HB2 CYS 5 16.850 1.101 -4.516 44 HB3 CYS 5 HB3 CYS 5 17.933 0.009 -5.409 45 HA PRO 6 HA PRO 6 17.849 1.201 -10.607 46 HB2 PRO 6 HB2 PRO 6 18.947 3.949 -10.256 47 HB3 PRO 6 HB3 PRO 6 17.949 3.296 -11.590 48 HG2 PRO 6 HG2 PRO 6 16.915 5.011 -9.726 49 HG3 PRO 6 HG3 PRO 6 15.952 3.653 -10.400 50 HD2 PRO 6 HD2 PRO 6 17.383 3.794 -7.749 51 HD3 PRO 6 HD3 PRO 6 15.772 3.120 -8.151 52 H GLU 7 H GLU 7 19.468 2.093 -7.641 53 HA GLU 7 HA GLU 7 22.132 1.597 -8.894 54 HB2 GLU 7 HB2 GLU 7 21.409 3.094 -6.349 55 HB3 GLU 7 HB3 GLU 7 23.037 2.899 -6.998 56 HG2 GLU 7 HG2 GLU 7 20.734 4.285 -8.443 57 HG3 GLU 7 HG3 GLU 7 22.009 5.116 -7.546 58 H CYS 8 H CYS 8 20.105 0.861 -6.000 59 HA CYS 8 HA CYS 8 22.108 -1.032 -5.023 60 HB2 CYS 8 HB2 CYS 8 19.247 -0.542 -4.097 61 HB3 CYS 8 HB3 CYS 8 20.461 -1.535 -3.277 62 H ALA 9 H ALA 9 19.542 -1.073 -7.313 63 HA ALA 9 HA ALA 9 18.477 -2.702 -8.479 64 HB1 ALA 9 HB1 ALA 9 21.030 -4.243 -7.887 65 HB2 ALA 9 HB2 ALA 9 19.859 -4.601 -9.176 66 HB3 ALA 9 HB3 ALA 9 20.792 -3.086 -9.218 67 H SER 10 H SER 10 17.724 -2.514 -5.771 68 HA SER 10 HA SER 10 16.866 -5.285 -5.211 69 HB2 SER 10 HB2 SER 10 19.004 -4.822 -3.986 70 HB3 SER 10 HB3 SER 10 18.198 -3.472 -3.163 71 HG SER 10 HG SER 10 18.113 -5.426 -1.951 72 H ARG 11 H ARG 11 15.122 -5.314 -3.545 73 HA ARG 11 HA ARG 11 13.260 -3.132 -4.175 74 HB2 ARG 11 HB2 ARG 11 12.946 -5.793 -2.732 75 HB3 ARG 11 HB3 ARG 11 11.622 -4.641 -3.004 76 HG2 ARG 11 HG2 ARG 11 12.084 -4.745 -5.464 77 HG3 ARG 11 HG3 ARG 11 13.284 -6.020 -5.155 78 HD2 ARG 11 HD2 ARG 11 10.327 -6.130 -4.413 79 HD3 ARG 11 HD3 ARG 11 11.059 -6.936 -5.805 80 HE ARG 11 HE ARG 11 11.255 -7.730 -2.983 81 HH11 ARG 11 HH11 ARG 11 12.529 -8.114 -6.260 82 HH12 ARG 11 HH12 ARG 11 13.240 -9.678 -5.931 83 HH21 ARG 11 HH21 ARG 11 12.208 -9.764 -2.570 84 HH22 ARG 11 HH22 ARG 11 13.071 -10.603 -3.841 85 H TYR 12 H TYR 12 12.100 -1.921 -2.677 86 HA TYR 12 HA TYR 12 12.759 -2.094 0.151 87 HB2 TYR 12 HB2 TYR 12 14.562 -0.710 -0.373 88 HB3 TYR 12 HB3 TYR 12 13.629 0.220 -1.546 89 HD1 TYR 12 HD1 TYR 12 14.225 -0.345 2.064 90 HD2 TYR 12 HD2 TYR 12 12.231 2.062 -0.889 91 HE1 TYR 12 HE1 TYR 12 13.707 1.346 3.803 92 HE2 TYR 12 HE2 TYR 12 11.744 3.782 0.834 93 HH TYR 12 HH TYR 12 12.715 3.370 4.262 94 H PHE 13 H PHE 13 11.164 -1.353 1.516 95 HA PHE 13 HA PHE 13 8.697 -0.790 0.011 96 HB2 PHE 13 HB2 PHE 13 7.577 -1.726 2.118 97 HB3 PHE 13 HB3 PHE 13 8.369 -2.808 0.979 98 HD1 PHE 13 HD1 PHE 13 8.628 -1.254 4.320 99 HD2 PHE 13 HD2 PHE 13 10.360 -4.044 1.547 100 HE1 PHE 13 HE1 PHE 13 10.028 -2.191 6.140 101 HE2 PHE 13 HE2 PHE 13 11.764 -4.984 3.364 102 HZ PHE 13 HZ PHE 13 11.595 -4.062 5.665 103 H VAL 14 H VAL 14 7.057 0.532 0.649 104 HA VAL 14 HA VAL 14 7.545 2.450 2.830 105 HB VAL 14 HB VAL 14 7.108 4.362 1.380 106 HG11 VAL 14 HG11 VAL 14 9.463 3.640 1.726 107 HG12 VAL 14 HG12 VAL 14 9.372 2.684 0.225 108 HG13 VAL 14 HG13 VAL 14 9.217 4.450 0.163 109 HG21 VAL 14 HG21 VAL 14 7.121 4.110 -1.092 110 HG22 VAL 14 HG22 VAL 14 7.168 2.343 -0.904 111 HG23 VAL 14 HG23 VAL 14 5.744 3.264 -0.356 112 H ASP 15 H ASP 15 5.535 3.779 3.213 113 HA ASP 15 HA ASP 15 3.250 2.081 3.343 114 HB2 ASP 15 HB2 ASP 15 3.805 3.929 4.929 115 HB3 ASP 15 HB3 ASP 15 3.487 5.103 3.645 116 H ASP 16 H ASP 16 1.179 2.349 2.273 117 HA ASP 16 HA ASP 16 1.427 2.741 -0.553 118 HB2 ASP 16 HB2 ASP 16 -1.007 2.421 1.237 119 HB3 ASP 16 HB3 ASP 16 -1.041 2.376 -0.534 120 H SER 17 H SER 17 1.011 5.010 1.974 121 HA SER 17 HA SER 17 -0.528 6.939 0.405 122 HB2 SER 17 HB2 SER 17 -0.753 6.793 2.851 123 HB3 SER 17 HB3 SER 17 0.974 7.161 3.042 124 HG SER 17 HG SER 17 -1.003 8.840 1.890 125 H LYS 18 H LYS 18 2.792 5.942 0.624 126 HA LYS 18 HA LYS 18 4.034 8.491 0.194 127 HB2 LYS 18 HB2 LYS 18 5.192 6.571 1.172 128 HB3 LYS 18 HB3 LYS 18 4.950 5.635 -0.314 129 HG2 LYS 18 HG2 LYS 18 7.229 6.536 -0.150 130 HG3 LYS 18 HG3 LYS 18 6.376 7.172 -1.567 131 HD2 LYS 18 HD2 LYS 18 5.883 9.269 -0.335 132 HD3 LYS 18 HD3 LYS 18 6.708 8.619 1.102 133 HE2 LYS 18 HE2 LYS 18 8.798 8.431 -0.196 134 HE3 LYS 18 HE3 LYS 18 7.974 9.057 -1.635 135 HZ1 LYS 18 HZ1 LYS 18 9.178 10.784 -0.505 136 HZ2 LYS 18 HZ2 LYS 18 7.567 11.098 -0.450 137 HZ3 LYS 18 HZ3 LYS 18 8.344 10.532 0.886 138 H VAL 19 H VAL 19 2.260 6.348 -1.878 139 HA VAL 19 HA VAL 19 3.155 7.918 -4.234 140 HB VAL 19 HB VAL 19 2.781 4.906 -4.252 141 HG11 VAL 19 HG11 VAL 19 3.855 5.120 -6.487 142 HG12 VAL 19 HG12 VAL 19 2.323 6.016 -6.406 143 HG13 VAL 19 HG13 VAL 19 3.875 6.884 -6.300 144 HG21 VAL 19 HG21 VAL 19 5.330 6.571 -4.205 145 HG22 VAL 19 HG22 VAL 19 4.791 5.416 -2.962 146 HG23 VAL 19 HG23 VAL 19 5.255 4.826 -4.567 147 H GLY 20 H GLY 20 1.606 8.347 -5.770 148 HA2 GLY 20 HA2 GLY 20 -1.150 7.343 -5.208 149 HA3 GLY 20 HA3 GLY 20 -0.831 9.047 -5.557 150 HA PRO 21 HA PRO 21 -1.636 6.597 -9.485 151 HB2 PRO 21 HB2 PRO 21 -3.934 7.886 -10.276 152 HB3 PRO 21 HB3 PRO 21 -3.927 6.481 -9.167 153 HG2 PRO 21 HG2 PRO 21 -4.136 9.420 -8.484 154 HG3 PRO 21 HG3 PRO 21 -5.051 8.042 -7.790 155 HD2 PRO 21 HD2 PRO 21 -2.849 9.186 -6.585 156 HD3 PRO 21 HD3 PRO 21 -3.273 7.457 -6.380 157 H ASP 22 H ASP 22 -1.584 10.016 -8.567 158 HA ASP 22 HA ASP 22 -0.979 10.956 -11.255 159 HB2 ASP 22 HB2 ASP 22 -0.893 12.253 -8.514 160 HB3 ASP 22 HB3 ASP 22 -0.553 13.098 -10.035 161 H GLY 23 H GLY 23 0.757 9.219 -8.992 162 HA2 GLY 23 HA2 GLY 23 2.978 8.589 -9.020 163 HA3 GLY 23 HA3 GLY 23 3.316 9.799 -10.269 164 H ARG 24 H ARG 24 4.914 9.221 -7.908 165 HA ARG 24 HA ARG 24 5.250 11.928 -6.927 166 HB2 ARG 24 HB2 ARG 24 3.422 11.159 -5.470 167 HB3 ARG 24 HB3 ARG 24 4.378 9.733 -5.009 168 HG2 ARG 24 HG2 ARG 24 5.809 10.955 -3.665 169 HG3 ARG 24 HG3 ARG 24 5.669 12.419 -4.655 170 HD2 ARG 24 HD2 ARG 24 4.598 12.638 -2.408 171 HD3 ARG 24 HD3 ARG 24 3.504 12.941 -3.768 172 HE ARG 24 HE ARG 24 3.562 10.425 -2.140 173 HH11 ARG 24 HH11 ARG 24 1.867 12.703 -4.246 174 HH12 ARG 24 HH12 ARG 24 0.307 11.947 -4.010 175 HH21 ARG 24 HH21 ARG 24 1.490 9.506 -1.788 176 HH22 ARG 24 HH22 ARG 24 0.108 10.129 -2.659 177 H VAL 25 H VAL 25 7.296 12.215 -5.940 178 HA VAL 25 HA VAL 25 9.236 10.250 -6.796 179 HB VAL 25 HB VAL 25 9.508 12.734 -6.953 180 HG11 VAL 25 HG11 VAL 25 10.057 12.485 -3.963 181 HG12 VAL 25 HG12 VAL 25 10.281 13.940 -4.965 182 HG13 VAL 25 HG13 VAL 25 8.649 13.292 -4.688 183 HG21 VAL 25 HG21 VAL 25 11.426 11.166 -7.143 184 HG22 VAL 25 HG22 VAL 25 11.895 12.709 -6.407 185 HG23 VAL 25 HG23 VAL 25 11.675 11.275 -5.386 186 H VAL 26 H VAL 26 10.762 9.143 -5.556 187 HA VAL 26 HA VAL 26 10.187 8.884 -2.657 188 HB VAL 26 HB VAL 26 10.251 6.529 -2.713 189 HG11 VAL 26 HG11 VAL 26 8.647 7.375 -5.169 190 HG12 VAL 26 HG12 VAL 26 8.382 5.927 -4.181 191 HG13 VAL 26 HG13 VAL 26 8.092 7.534 -3.484 192 HG21 VAL 26 HG21 VAL 26 10.714 5.215 -4.746 193 HG22 VAL 26 HG22 VAL 26 11.005 6.726 -5.653 194 HG23 VAL 26 HG23 VAL 26 12.092 6.241 -4.330 195 H ARG 27 H ARG 27 12.028 7.560 -1.562 196 HA ARG 27 HA ARG 27 14.644 8.284 -2.777 197 HB2 ARG 27 HB2 ARG 27 14.048 10.132 -1.307 198 HB3 ARG 27 HB3 ARG 27 13.684 9.007 0.012 199 HG2 ARG 27 HG2 ARG 27 16.047 8.270 0.053 200 HG3 ARG 27 HG3 ARG 27 16.416 9.367 -1.297 201 HD2 ARG 27 HD2 ARG 27 17.071 10.413 0.811 202 HD3 ARG 27 HD3 ARG 27 15.714 11.295 0.094 203 HE ARG 27 HE ARG 27 14.366 10.675 1.888 204 HH11 ARG 27 HH11 ARG 27 17.326 8.740 1.905 205 HH12 ARG 27 HH12 ARG 27 17.017 8.074 3.496 206 HH21 ARG 27 HH21 ARG 27 13.991 9.789 3.957 207 HH22 ARG 27 HH22 ARG 27 15.131 8.658 4.645 208 H CYS 28 H CYS 28 16.309 6.928 -2.333 209 HA CYS 28 HA CYS 28 15.644 4.285 -1.319 210 HB2 CYS 28 HB2 CYS 28 17.100 4.774 -3.303 211 HB3 CYS 28 HB3 CYS 28 18.311 5.464 -2.205 212 H ALA 29 H ALA 29 16.139 3.429 0.639 213 HA ALA 29 HA ALA 29 17.274 5.159 2.707 214 HB1 ALA 29 HB1 ALA 29 15.383 3.632 3.171 215 HB2 ALA 29 HB2 ALA 29 16.414 2.240 2.751 216 HB3 ALA 29 HB3 ALA 29 16.800 3.237 4.171 217 H SER 30 H SER 30 18.577 3.121 0.290 218 HA SER 30 HA SER 30 20.815 2.259 2.039 219 HB2 SER 30 HB2 SER 30 19.703 1.170 -0.565 220 HB3 SER 30 HB3 SER 30 21.220 0.610 0.166 221 HG SER 30 HG SER 30 18.640 0.562 1.346 222 H CYS 31 H CYS 31 20.107 4.427 -0.628 223 HA CYS 31 HA CYS 31 22.955 5.126 -0.622 224 HB2 CYS 31 HB2 CYS 31 23.294 4.929 -2.988 225 HB3 CYS 31 HB3 CYS 31 22.669 3.372 -2.398 226 H GLY 32 H GLY 32 19.704 6.089 -0.691 227 HA2 GLY 32 HA2 GLY 32 18.961 8.246 -0.361 228 HA3 GLY 32 HA3 GLY 32 20.587 8.864 -0.705 229 H ASN 33 H ASN 33 19.786 6.790 -3.223 230 HA ASN 33 HA ASN 33 19.515 8.844 -5.153 231 HB2 ASN 33 HB2 ASN 33 20.333 6.489 -5.502 232 HB3 ASN 33 HB3 ASN 33 18.659 5.931 -5.335 233 HD21 ASN 33 HD22 ASN 33 18.603 5.103 -7.459 234 HD22 ASN 33 HD21 ASN 33 18.523 6.155 -8.858 235 H ARG 34 H ARG 34 17.651 9.396 -6.482 236 HA ARG 34 HA ARG 34 15.018 8.810 -5.208 237 HB2 ARG 34 HB2 ARG 34 15.951 11.537 -6.167 238 HB3 ARG 34 HB3 ARG 34 14.364 11.140 -5.476 239 HG2 ARG 34 HG2 ARG 34 15.484 10.489 -3.342 240 HG3 ARG 34 HG3 ARG 34 17.052 10.951 -4.046 241 HD2 ARG 34 HD2 ARG 34 16.170 13.255 -4.425 242 HD3 ARG 34 HD3 ARG 34 14.659 12.782 -3.628 243 HE ARG 34 HE ARG 34 17.251 12.519 -2.175 244 HH11 ARG 34 HH11 ARG 34 14.072 14.035 -2.505 245 HH12 ARG 34 HH12 ARG 34 14.137 14.789 -0.929 246 HH21 ARG 34 HH21 ARG 34 17.314 13.520 -0.124 247 HH22 ARG 34 HH22 ARG 34 15.972 14.498 0.416 248 H TRP 35 H TRP 35 13.263 8.722 -6.588 249 HA TRP 35 HA TRP 35 13.489 9.482 -9.384 250 HB2 TRP 35 HB2 TRP 35 13.127 7.261 -10.307 251 HB3 TRP 35 HB3 TRP 35 14.650 7.304 -9.418 252 HD1 TRP 35 HD1 TRP 35 11.218 5.706 -9.409 253 HE1 TRP 35 HE1 TRP 35 11.104 3.818 -7.702 254 HE3 TRP 35 HE3 TRP 35 15.701 6.474 -7.065 255 HZ2 TRP 35 HZ2 TRP 35 12.724 2.796 -5.534 256 HZ3 TRP 35 HZ3 TRP 35 16.380 5.032 -5.180 257 HH2 TRP 35 HH2 TRP 35 14.903 3.194 -4.402 258 H THR 36 H THR 36 11.395 9.195 -10.507 259 HA THR 36 HA THR 36 9.209 9.608 -8.676 260 HB THR 36 HB THR 36 8.814 9.286 -11.632 261 HG1 THR 36 HG1 THR 36 9.479 11.444 -11.823 262 HG21 THR 36 HG21 THR 36 7.179 11.093 -11.210 263 HG22 THR 36 HG22 THR 36 6.864 9.697 -10.165 264 HG23 THR 36 HG23 THR 36 7.664 11.140 -9.497 265 H ALA 37 H ALA 37 7.534 8.351 -8.095 266 HA ALA 37 HA ALA 37 7.477 5.564 -9.158 267 HB1 ALA 37 HB1 ALA 37 6.629 6.636 -6.440 268 HB2 ALA 37 HB2 ALA 37 6.572 4.938 -6.965 269 HB3 ALA 37 HB3 ALA 37 8.142 5.751 -6.775 270 H PHE 38 H PHE 38 5.274 4.569 -9.143 271 HA PHE 38 HA PHE 38 3.038 6.428 -9.014 272 HB2 PHE 38 HB2 PHE 38 2.222 5.586 -11.310 273 HB3 PHE 38 HB3 PHE 38 3.409 6.889 -11.200 274 HD1 PHE 38 HD1 PHE 38 2.909 3.339 -12.084 275 HD2 PHE 38 HD2 PHE 38 5.699 6.605 -11.952 276 HE1 PHE 38 HE1 PHE 38 4.465 2.074 -13.545 277 HE2 PHE 38 HE2 PHE 38 7.243 5.352 -13.424 278 HZ PHE 38 HZ PHE 38 6.634 3.078 -14.217 279 H LYS 39 H LYS 39 1.027 5.572 -8.667 280 HA LYS 39 HA LYS 39 1.082 2.877 -7.545 281 HB2 LYS 39 HB2 LYS 39 -0.015 4.712 -6.371 282 HB3 LYS 39 HB3 LYS 39 -1.110 4.983 -7.738 283 HG2 LYS 39 HG2 LYS 39 -2.226 2.906 -7.410 284 HG3 LYS 39 HG3 LYS 39 -0.949 2.295 -6.340 285 HD2 LYS 39 HD2 LYS 39 -2.711 4.688 -5.664 286 HD3 LYS 39 HD3 LYS 39 -3.044 3.025 -5.141 287 HE2 LYS 39 HE2 LYS 39 -0.789 2.945 -4.068 288 HE3 LYS 39 HE3 LYS 39 -0.545 4.642 -4.505 289 HZ1 LYS 39 HZ1 LYS 39 -2.673 3.611 -2.749 290 HZ2 LYS 39 HZ2 LYS 39 -1.341 4.453 -2.279 291 HZ3 LYS 39 HZ3 LYS 39 -2.491 5.187 -3.197 292 H ASP 40 H ASP 40 -0.380 1.188 -8.086 293 HA ASP 40 HA ASP 40 -1.748 1.305 -10.681 294 HB2 ASP 40 HB2 ASP 40 0.683 0.745 -11.137 295 HB3 ASP 40 HB3 ASP 40 0.481 -0.707 -10.140 296 H GLU 41 H GLU 41 -2.304 0.956 -7.727 297 HA GLU 41 HA GLU 41 -2.910 -1.818 -7.229 298 HB2 GLU 41 HB2 GLU 41 -3.783 0.797 -5.948 299 HB3 GLU 41 HB3 GLU 41 -4.239 -0.795 -5.318 300 HG2 GLU 41 HG2 GLU 41 -1.868 -1.391 -5.029 301 HG3 GLU 41 HG3 GLU 41 -1.364 0.141 -5.763 302 H ALA 42 H ALA 42 -4.521 0.652 -9.069 303 HA ALA 42 HA ALA 42 -6.783 -1.113 -9.557 304 HB1 ALA 42 HB1 ALA 42 -8.480 0.464 -8.747 305 HB2 ALA 42 HB2 ALA 42 -7.398 0.001 -7.409 306 HB3 ALA 42 HB3 ALA 42 -7.209 1.581 -8.199 307 H GLU 43 H GLU 43 -8.255 -0.182 -11.215 308 HA GLU 43 HA GLU 43 -7.286 2.138 -12.709 309 HB2 GLU 43 HB2 GLU 43 -5.832 0.358 -13.564 310 HB3 GLU 43 HB3 GLU 43 -7.223 -0.696 -13.826 311 HG2 GLU 43 HG2 GLU 43 -6.523 0.233 -15.944 312 HG3 GLU 43 HG3 GLU 43 -8.113 0.865 -15.529 313 H LEU 44 H LEU 44 -8.838 2.887 -14.268 314 HA LEU 44 HA LEU 44 -11.523 2.520 -13.411 315 HB2 LEU 44 HB2 LEU 44 -10.642 4.597 -14.382 316 HB3 LEU 44 HB3 LEU 44 -10.376 3.776 -15.932 317 HG LEU 44 HG LEU 44 -12.843 3.371 -16.119 318 HD11 LEU 44 HD11 LEU 44 -12.925 5.105 -13.609 319 HD12 LEU 44 HD12 LEU 44 -14.339 4.636 -14.581 320 HD13 LEU 44 HD13 LEU 44 -13.417 3.392 -13.711 321 HD21 LEU 44 HD21 LEU 44 -11.791 5.356 -17.141 322 HD22 LEU 44 HD22 LEU 44 -13.436 5.725 -16.575 323 HD23 LEU 44 HD23 LEU 44 -12.029 6.267 -15.631 324 H GLU 45 H GLU 45 -13.307 1.543 -14.447 325 HA GLU 45 HA GLU 45 -12.687 -0.989 -15.660 326 HB2 GLU 45 HB2 GLU 45 -15.111 -1.317 -15.620 327 HB3 GLU 45 HB3 GLU 45 -14.546 -0.646 -14.078 328 HG2 GLU 45 HG2 GLU 45 -15.222 1.629 -14.823 329 HG3 GLU 45 HG3 GLU 45 -15.821 0.949 -16.345 330 H LEU 46 H LEU 46 -12.498 1.939 -17.104 331 HA LEU 46 HA LEU 46 -14.084 1.594 -19.470 332 HB2 LEU 46 HB2 LEU 46 -13.330 3.787 -18.667 333 HB3 LEU 46 HB3 LEU 46 -11.640 3.297 -18.834 334 HG LEU 46 HG LEU 46 -11.934 3.098 -21.296 335 HD11 LEU 46 HD11 LEU 46 -14.731 4.179 -20.717 336 HD12 LEU 46 HD12 LEU 46 -14.000 4.017 -22.329 337 HD13 LEU 46 HD13 LEU 46 -14.351 2.566 -21.370 338 HD21 LEU 46 HD21 LEU 46 -12.173 5.521 -21.741 339 HD22 LEU 46 HD22 LEU 46 -12.863 5.747 -20.115 340 HD23 LEU 46 HD23 LEU 46 -11.174 5.224 -20.301 341 H VAL 47 H VAL 47 -11.033 0.271 -18.404 342 HA VAL 47 HA VAL 47 -9.901 -0.197 -20.998 343 HB VAL 47 HB VAL 47 -8.301 -1.599 -19.838 344 HG11 VAL 47 HG11 VAL 47 -7.474 0.004 -18.186 345 HG12 VAL 47 HG12 VAL 47 -8.120 0.875 -19.592 346 HG13 VAL 47 HG13 VAL 47 -9.072 0.778 -18.091 347 HG21 VAL 47 HG21 VAL 47 -9.839 -2.855 -18.385 348 HG22 VAL 47 HG22 VAL 47 -8.539 -2.110 -17.434 349 HG23 VAL 47 HG23 VAL 47 -10.162 -1.383 -17.436 350 HA PRO 48 HA PRO 48 -12.183 -3.764 -22.237 351 HB2 PRO 48 HB2 PRO 48 -10.421 -4.952 -23.961 352 HB3 PRO 48 HB3 PRO 48 -11.221 -3.389 -24.323 353 HG2 PRO 48 HG2 PRO 48 -8.437 -3.864 -23.223 354 HG3 PRO 48 HG3 PRO 48 -8.948 -2.740 -24.531 355 HD2 PRO 48 HD2 PRO 48 -8.553 -1.941 -21.926 356 HD3 PRO 48 HD3 PRO 48 -9.765 -1.177 -22.994 357 H ARG 49 H ARG 49 -9.388 -3.940 -20.287 358 HA ARG 49 HA ARG 49 -8.876 -6.755 -20.291 359 HB2 ARG 49 HB2 ARG 49 -8.382 -4.658 -18.140 360 HB3 ARG 49 HB3 ARG 49 -7.669 -6.278 -18.184 361 HG2 ARG 49 HG2 ARG 49 -6.595 -5.745 -20.362 362 HG3 ARG 49 HG3 ARG 49 -7.281 -4.106 -20.298 363 HD2 ARG 49 HD2 ARG 49 -6.076 -3.680 -18.181 364 HD3 ARG 49 HD3 ARG 49 -5.389 -5.314 -18.234 365 HE ARG 49 HE ARG 49 -4.645 -3.000 -19.917 366 HH11 ARG 49 HH11 ARG 49 -4.322 -6.464 -19.272 367 HH12 ARG 49 HH12 ARG 49 -2.847 -6.617 -20.201 368 HH21 ARG 49 HH21 ARG 49 -2.706 -3.231 -21.101 369 HH22 ARG 49 HH22 ARG 49 -1.932 -4.793 -21.219 Start of MODEL 5 1 H1 MET 1 H1 MET 1 2.292 -0.955 -0.922 2 H2 MET 1 H2 MET 1 3.612 0.015 -0.747 3 H3 MET 1 H3 MET 1 3.560 -1.436 0.016 4 HA MET 1 HA MET 1 3.623 -2.636 -2.008 5 HB2 MET 1 HB2 MET 1 3.933 -1.440 -4.138 6 HB3 MET 1 HB3 MET 1 2.379 -1.036 -3.380 7 HG2 MET 1 HG2 MET 1 3.356 1.064 -2.512 8 HG3 MET 1 HG3 MET 1 4.911 0.654 -3.249 9 HE1 MET 1 HE1 MET 1 4.948 3.040 -4.367 10 HE2 MET 1 HE2 MET 1 3.633 3.685 -5.381 11 HE3 MET 1 HE3 MET 1 3.356 3.407 -3.647 12 H ILE 2 H ILE 2 5.685 -2.389 -3.706 13 HA ILE 2 HA ILE 2 7.966 -1.447 -2.047 14 HB ILE 2 HB ILE 2 7.325 -3.975 -1.867 15 HG12 ILE 2 HG12 ILE 2 10.201 -3.387 -2.606 16 HG13 ILE 2 HG13 ILE 2 9.437 -2.713 -1.148 17 HG21 ILE 2 HG21 ILE 2 8.919 -4.024 -4.466 18 HG22 ILE 2 HG22 ILE 2 8.325 -5.427 -3.557 19 HG23 ILE 2 HG23 ILE 2 7.167 -4.336 -4.349 20 HD11 ILE 2 HD11 ILE 2 9.604 -5.683 -1.791 21 HD12 ILE 2 HD12 ILE 2 10.605 -4.808 -0.607 22 HD13 ILE 2 HD13 ILE 2 8.854 -4.957 -0.353 23 H LEU 3 H LEU 3 9.867 -0.950 -3.220 24 HA LEU 3 HA LEU 3 9.524 -0.661 -6.168 25 HB2 LEU 3 HB2 LEU 3 10.454 1.441 -4.181 26 HB3 LEU 3 HB3 LEU 3 10.504 1.616 -5.945 27 HG LEU 3 HG LEU 3 7.910 1.072 -4.424 28 HD11 LEU 3 HD11 LEU 3 9.120 3.725 -5.286 29 HD12 LEU 3 HD12 LEU 3 7.490 3.482 -4.608 30 HD13 LEU 3 HD13 LEU 3 8.926 3.158 -3.609 31 HD21 LEU 3 HD21 LEU 3 6.910 2.015 -6.486 32 HD22 LEU 3 HD22 LEU 3 8.535 2.232 -7.178 33 HD23 LEU 3 HD23 LEU 3 7.912 0.594 -6.868 34 H THR 4 H THR 4 11.474 -0.690 -7.368 35 HA THR 4 HA THR 4 13.763 -1.762 -5.844 36 HB THR 4 HB THR 4 13.577 -1.866 -8.831 37 HG1 THR 4 HG1 THR 4 12.458 -3.808 -8.582 38 HG21 THR 4 HG21 THR 4 14.880 -3.928 -8.480 39 HG22 THR 4 HG22 THR 4 15.677 -2.550 -7.699 40 HG23 THR 4 HG23 THR 4 14.753 -3.718 -6.715 41 H CYS 5 H CYS 5 15.767 -0.878 -5.786 42 HA CYS 5 HA CYS 5 15.967 1.909 -6.545 43 HB2 CYS 5 HB2 CYS 5 16.970 1.044 -4.480 44 HB3 CYS 5 HB3 CYS 5 18.026 -0.029 -5.433 45 HA PRO 6 HA PRO 6 17.673 1.137 -10.620 46 HB2 PRO 6 HB2 PRO 6 18.756 3.901 -10.332 47 HB3 PRO 6 HB3 PRO 6 17.703 3.232 -11.617 48 HG2 PRO 6 HG2 PRO 6 16.748 4.944 -9.700 49 HG3 PRO 6 HG3 PRO 6 15.762 3.576 -10.331 50 HD2 PRO 6 HD2 PRO 6 17.302 3.737 -7.750 51 HD3 PRO 6 HD3 PRO 6 15.685 3.038 -8.084 52 H GLU 7 H GLU 7 19.416 2.027 -7.733 53 HA GLU 7 HA GLU 7 22.038 1.577 -9.106 54 HB2 GLU 7 HB2 GLU 7 21.403 3.096 -6.552 55 HB3 GLU 7 HB3 GLU 7 23.011 2.883 -7.259 56 HG2 GLU 7 HG2 GLU 7 20.669 4.238 -8.646 57 HG3 GLU 7 HG3 GLU 7 21.954 5.094 -7.789 58 H CYS 8 H CYS 8 20.161 0.835 -6.105 59 HA CYS 8 HA CYS 8 22.243 -1.024 -5.218 60 HB2 CYS 8 HB2 CYS 8 19.417 -0.558 -4.165 61 HB3 CYS 8 HB3 CYS 8 20.675 -1.534 -3.388 62 H ALA 9 H ALA 9 19.563 -1.124 -7.368 63 HA ALA 9 HA ALA 9 18.426 -2.790 -8.415 64 HB1 ALA 9 HB1 ALA 9 20.994 -4.347 -7.918 65 HB2 ALA 9 HB2 ALA 9 19.747 -4.733 -9.126 66 HB3 ALA 9 HB3 ALA 9 20.699 -3.243 -9.277 67 H SER 10 H SER 10 17.926 -2.470 -5.634 68 HA SER 10 HA SER 10 17.141 -5.229 -4.861 69 HB2 SER 10 HB2 SER 10 19.260 -4.566 -3.725 70 HB3 SER 10 HB3 SER 10 18.423 -3.168 -3.029 71 HG SER 10 HG SER 10 18.403 -4.963 -1.611 72 H ARG 11 H ARG 11 15.385 -5.233 -3.250 73 HA ARG 11 HA ARG 11 13.423 -3.189 -4.010 74 HB2 ARG 11 HB2 ARG 11 13.210 -5.767 -2.421 75 HB3 ARG 11 HB3 ARG 11 11.844 -4.705 -2.812 76 HG2 ARG 11 HG2 ARG 11 12.377 -4.944 -5.242 77 HG3 ARG 11 HG3 ARG 11 13.651 -6.112 -4.820 78 HD2 ARG 11 HD2 ARG 11 11.953 -7.554 -3.726 79 HD3 ARG 11 HD3 ARG 11 10.695 -6.374 -4.138 80 HE ARG 11 HE ARG 11 10.797 -7.024 -6.391 81 HH11 ARG 11 HH11 ARG 11 13.228 -8.720 -4.458 82 HH12 ARG 11 HH12 ARG 11 13.545 -9.919 -5.693 83 HH21 ARG 11 HH21 ARG 11 11.219 -8.612 -7.977 84 HH22 ARG 11 HH22 ARG 11 12.409 -9.857 -7.684 85 H TYR 12 H TYR 12 12.193 -1.958 -2.604 86 HA TYR 12 HA TYR 12 12.764 -1.969 0.245 87 HB2 TYR 12 HB2 TYR 12 14.529 -0.536 -0.322 88 HB3 TYR 12 HB3 TYR 12 13.573 0.328 -1.520 89 HD1 TYR 12 HD1 TYR 12 14.253 -0.049 2.071 90 HD2 TYR 12 HD2 TYR 12 11.963 2.043 -0.900 91 HE1 TYR 12 HE1 TYR 12 13.646 1.679 3.760 92 HE2 TYR 12 HE2 TYR 12 11.376 3.791 0.770 93 HH TYR 12 HH TYR 12 11.584 4.493 2.931 94 H PHE 13 H PHE 13 11.062 -1.326 1.493 95 HA PHE 13 HA PHE 13 8.629 -1.027 -0.114 96 HB2 PHE 13 HB2 PHE 13 7.499 -1.709 2.080 97 HB3 PHE 13 HB3 PHE 13 8.402 -2.896 1.142 98 HD1 PHE 13 HD2 PHE 13 8.496 -0.784 4.194 99 HD2 PHE 13 HD1 PHE 13 10.377 -3.948 1.977 100 HE1 PHE 13 HE2 PHE 13 9.901 -1.328 6.163 101 HE2 PHE 13 HE1 PHE 13 11.791 -4.486 3.941 102 HZ PHE 13 HZ PHE 13 11.546 -3.185 6.041 103 H VAL 14 H VAL 14 6.878 0.258 0.290 104 HA VAL 14 HA VAL 14 7.263 2.551 2.105 105 HB VAL 14 HB VAL 14 6.704 4.158 0.386 106 HG11 VAL 14 HG11 VAL 14 9.104 3.558 0.710 107 HG12 VAL 14 HG12 VAL 14 8.970 2.373 -0.609 108 HG13 VAL 14 HG13 VAL 14 8.750 4.100 -0.949 109 HG21 VAL 14 HG21 VAL 14 6.586 3.506 -2.009 110 HG22 VAL 14 HG22 VAL 14 6.707 1.794 -1.538 111 HG23 VAL 14 HG23 VAL 14 5.289 2.760 -1.060 112 H ASP 15 H ASP 15 5.249 3.643 2.623 113 HA ASP 15 HA ASP 15 3.007 1.868 2.742 114 HB2 ASP 15 HB2 ASP 15 3.288 4.826 3.352 115 HB3 ASP 15 HB3 ASP 15 1.842 3.867 3.693 116 H ASP 16 H ASP 16 0.900 2.117 1.810 117 HA ASP 16 HA ASP 16 1.014 2.825 -0.978 118 HB2 ASP 16 HB2 ASP 16 -1.303 2.074 0.837 119 HB3 ASP 16 HB3 ASP 16 -1.435 2.287 -0.914 120 H SER 17 H SER 17 0.520 4.726 1.817 121 HA SER 17 HA SER 17 -1.131 6.739 0.432 122 HB2 SER 17 HB2 SER 17 0.148 6.668 3.193 123 HB3 SER 17 HB3 SER 17 -0.937 7.944 2.599 124 HG SER 17 HG SER 17 -2.576 6.442 2.432 125 H LYS 18 H LYS 18 2.184 5.908 0.584 126 HA LYS 18 HA LYS 18 3.261 8.592 0.630 127 HB2 LYS 18 HB2 LYS 18 4.518 6.659 1.463 128 HB3 LYS 18 HB3 LYS 18 4.413 5.873 -0.121 129 HG2 LYS 18 HG2 LYS 18 6.620 6.847 0.215 130 HG3 LYS 18 HG3 LYS 18 5.780 7.636 -1.128 131 HD2 LYS 18 HD2 LYS 18 5.124 9.496 0.465 132 HD3 LYS 18 HD3 LYS 18 6.096 8.693 1.720 133 HE2 LYS 18 HE2 LYS 18 7.419 10.458 0.679 134 HE3 LYS 18 HE3 LYS 18 8.095 8.880 0.241 135 HZ1 LYS 18 HZ1 LYS 18 6.912 9.035 -1.849 136 HZ2 LYS 18 HZ2 LYS 18 6.314 10.512 -1.438 137 HZ3 LYS 18 HZ3 LYS 18 7.932 10.314 -1.666 138 H VAL 19 H VAL 19 1.685 6.688 -1.759 139 HA VAL 19 HA VAL 19 2.646 8.507 -3.888 140 HB VAL 19 HB VAL 19 2.507 5.496 -4.244 141 HG11 VAL 19 HG11 VAL 19 3.742 6.018 -6.341 142 HG12 VAL 19 HG12 VAL 19 2.133 6.763 -6.310 143 HG13 VAL 19 HG13 VAL 19 3.578 7.756 -5.984 144 HG21 VAL 19 HG21 VAL 19 4.922 7.299 -3.808 145 HG22 VAL 19 HG22 VAL 19 4.373 5.977 -2.751 146 HG23 VAL 19 HG23 VAL 19 5.002 5.614 -4.369 147 H GLY 20 H GLY 20 1.197 8.798 -5.629 148 HA2 GLY 20 HA2 GLY 20 -1.542 7.675 -5.199 149 HA3 GLY 20 HA3 GLY 20 -1.270 9.389 -5.558 150 HA PRO 21 HA PRO 21 -1.855 6.919 -9.499 151 HB2 PRO 21 HB2 PRO 21 -4.029 8.321 -10.450 152 HB3 PRO 21 HB3 PRO 21 -4.160 6.915 -9.350 153 HG2 PRO 21 HG2 PRO 21 -4.273 9.859 -8.678 154 HG3 PRO 21 HG3 PRO 21 -5.307 8.529 -8.056 155 HD2 PRO 21 HD2 PRO 21 -3.159 9.550 -6.670 156 HD3 PRO 21 HD3 PRO 21 -3.656 7.839 -6.531 157 H ASP 22 H ASP 22 -1.483 10.259 -8.528 158 HA ASP 22 HA ASP 22 -0.748 11.159 -11.213 159 HB2 ASP 22 HB2 ASP 22 -0.237 13.313 -9.993 160 HB3 ASP 22 HB3 ASP 22 -1.919 12.768 -9.978 161 H GLY 23 H GLY 23 0.788 9.340 -8.887 162 HA2 GLY 23 HA2 GLY 23 2.958 8.580 -8.863 163 HA3 GLY 23 HA3 GLY 23 3.391 9.755 -10.122 164 H ARG 24 H ARG 24 4.894 9.074 -7.697 165 HA ARG 24 HA ARG 24 5.212 11.778 -6.598 166 HB2 ARG 24 HB2 ARG 24 3.458 10.400 -5.210 167 HB3 ARG 24 HB3 ARG 24 4.863 9.446 -4.694 168 HG2 ARG 24 HG2 ARG 24 4.694 11.108 -3.020 169 HG3 ARG 24 HG3 ARG 24 5.921 11.777 -4.113 170 HD2 ARG 24 HD2 ARG 24 4.455 13.585 -3.722 171 HD3 ARG 24 HD3 ARG 24 3.920 12.966 -5.292 172 HE ARG 24 HE ARG 24 2.562 12.570 -2.657 173 HH11 ARG 24 HH11 ARG 24 2.455 12.392 -6.200 174 HH12 ARG 24 HH12 ARG 24 0.732 12.115 -6.235 175 HH21 ARG 24 HH21 ARG 24 0.323 12.196 -2.761 176 HH22 ARG 24 HH22 ARG 24 -0.462 12.018 -4.316 177 H VAL 25 H VAL 25 7.348 12.115 -5.856 178 HA VAL 25 HA VAL 25 9.286 10.165 -6.766 179 HB VAL 25 HB VAL 25 9.595 12.621 -6.958 180 HG11 VAL 25 HG11 VAL 25 8.632 13.242 -4.754 181 HG12 VAL 25 HG12 VAL 25 10.023 12.478 -3.945 182 HG13 VAL 25 HG13 VAL 25 10.269 13.903 -4.983 183 HG21 VAL 25 HG21 VAL 25 11.951 12.647 -6.320 184 HG22 VAL 25 HG22 VAL 25 11.715 11.247 -5.254 185 HG23 VAL 25 HG23 VAL 25 11.532 11.069 -7.017 186 H VAL 26 H VAL 26 10.817 9.022 -5.570 187 HA VAL 26 HA VAL 26 10.324 8.822 -2.651 188 HB VAL 26 HB VAL 26 10.384 6.459 -2.666 189 HG11 VAL 26 HG11 VAL 26 8.743 7.264 -5.108 190 HG12 VAL 26 HG12 VAL 26 8.502 5.829 -4.096 191 HG13 VAL 26 HG13 VAL 26 8.222 7.449 -3.414 192 HG21 VAL 26 HG21 VAL 26 11.096 6.615 -5.626 193 HG22 VAL 26 HG22 VAL 26 12.196 6.140 -4.312 194 HG23 VAL 26 HG23 VAL 26 10.797 5.121 -4.714 195 H ARG 27 H ARG 27 12.225 7.428 -1.623 196 HA ARG 27 HA ARG 27 14.784 8.134 -2.933 197 HB2 ARG 27 HB2 ARG 27 15.638 9.147 -0.878 198 HB3 ARG 27 HB3 ARG 27 14.225 10.028 -1.479 199 HG2 ARG 27 HG2 ARG 27 12.789 8.866 0.177 200 HG3 ARG 27 HG3 ARG 27 14.199 7.947 0.760 201 HD2 ARG 27 HD2 ARG 27 15.331 10.085 1.336 202 HD3 ARG 27 HD3 ARG 27 13.893 10.976 0.808 203 HE ARG 27 HE ARG 27 12.778 10.360 2.753 204 HH11 ARG 27 HH11 ARG 27 15.801 8.526 2.465 205 HH12 ARG 27 HH12 ARG 27 15.724 7.929 4.105 206 HH21 ARG 27 HH21 ARG 27 12.717 9.553 4.887 207 HH22 ARG 27 HH22 ARG 27 13.989 8.498 5.468 208 H CYS 28 H CYS 28 16.546 6.902 -2.314 209 HA CYS 28 HA CYS 28 15.917 4.231 -1.382 210 HB2 CYS 28 HB2 CYS 28 17.552 4.934 -3.221 211 HB3 CYS 28 HB3 CYS 28 18.649 5.446 -1.933 212 H ALA 29 H ALA 29 16.858 3.181 0.451 213 HA ALA 29 HA ALA 29 17.088 4.926 2.779 214 HB1 ALA 29 HB1 ALA 29 15.830 2.814 2.858 215 HB2 ALA 29 HB2 ALA 29 17.321 1.909 2.465 216 HB3 ALA 29 HB3 ALA 29 17.194 2.793 4.001 217 H SER 30 H SER 30 19.303 3.359 0.544 218 HA SER 30 HA SER 30 21.486 3.626 2.557 219 HB2 SER 30 HB2 SER 30 22.634 1.859 1.251 220 HB3 SER 30 HB3 SER 30 21.091 1.317 1.947 221 HG SER 30 HG SER 30 21.357 0.734 -0.270 222 H CYS 31 H CYS 31 20.996 3.799 -1.052 223 HA CYS 31 HA CYS 31 23.558 5.219 -1.190 224 HB2 CYS 31 HB2 CYS 31 23.511 4.822 -3.514 225 HB3 CYS 31 HB3 CYS 31 22.889 3.345 -2.741 226 H GLY 32 H GLY 32 20.269 6.094 -0.905 227 HA2 GLY 32 HA2 GLY 32 19.433 8.225 -0.566 228 HA3 GLY 32 HA3 GLY 32 21.025 8.899 -0.983 229 H ASN 33 H ASN 33 20.100 6.760 -3.422 230 HA ASN 33 HA ASN 33 19.687 8.791 -5.367 231 HB2 ASN 33 HB2 ASN 33 20.536 6.456 -5.755 232 HB3 ASN 33 HB3 ASN 33 18.900 5.853 -5.457 233 HD21 ASN 33 HD22 ASN 33 18.583 5.021 -7.540 234 HD22 ASN 33 HD21 ASN 33 18.419 6.049 -8.947 235 H ARG 34 H ARG 34 17.750 9.296 -6.570 236 HA ARG 34 HA ARG 34 15.189 8.593 -5.225 237 HB2 ARG 34 HB2 ARG 34 15.985 11.398 -6.095 238 HB3 ARG 34 HB3 ARG 34 14.442 10.909 -5.364 239 HG2 ARG 34 HG2 ARG 34 15.756 10.133 -3.332 240 HG3 ARG 34 HG3 ARG 34 17.198 10.865 -4.070 241 HD2 ARG 34 HD2 ARG 34 16.257 12.471 -2.538 242 HD3 ARG 34 HD3 ARG 34 15.953 13.051 -4.190 243 HE ARG 34 HE ARG 34 13.649 11.842 -3.817 244 HH11 ARG 34 HH11 ARG 34 15.488 13.671 -1.421 245 HH12 ARG 34 HH12 ARG 34 14.073 14.138 -0.505 246 HH21 ARG 34 HH21 ARG 34 11.812 12.447 -2.600 247 HH22 ARG 34 HH22 ARG 34 11.990 13.449 -1.179 248 H TRP 35 H TRP 35 13.376 8.567 -6.558 249 HA TRP 35 HA TRP 35 13.559 9.296 -9.372 250 HB2 TRP 35 HB2 TRP 35 13.232 7.064 -10.252 251 HB3 TRP 35 HB3 TRP 35 14.728 7.107 -9.333 252 HD1 TRP 35 HD1 TRP 35 11.333 5.493 -9.455 253 HE1 TRP 35 HE1 TRP 35 11.120 3.656 -7.705 254 HE3 TRP 35 HE3 TRP 35 15.635 6.380 -6.831 255 HZ2 TRP 35 HZ2 TRP 35 12.596 2.709 -5.405 256 HZ3 TRP 35 HZ3 TRP 35 16.178 5.010 -4.844 257 HH2 TRP 35 HH2 TRP 35 14.676 3.173 -4.132 258 H THR 36 H THR 36 11.436 9.003 -10.447 259 HA THR 36 HA THR 36 9.294 9.417 -8.566 260 HB THR 36 HB THR 36 8.816 9.077 -11.501 261 HG1 THR 36 HG1 THR 36 9.483 11.227 -11.741 262 HG21 THR 36 HG21 THR 36 7.738 10.927 -9.324 263 HG22 THR 36 HG22 THR 36 7.228 10.944 -11.028 264 HG23 THR 36 HG23 THR 36 6.903 9.518 -10.018 265 H ALA 37 H ALA 37 7.560 8.188 -8.028 266 HA ALA 37 HA ALA 37 7.461 5.416 -9.127 267 HB1 ALA 37 HB1 ALA 37 6.711 4.698 -6.898 268 HB2 ALA 37 HB2 ALA 37 8.317 5.459 -6.813 269 HB3 ALA 37 HB3 ALA 37 6.872 6.364 -6.297 270 H PHE 38 H PHE 38 5.224 4.453 -8.944 271 HA PHE 38 HA PHE 38 3.072 6.400 -8.710 272 HB2 PHE 38 HB2 PHE 38 2.131 5.629 -10.966 273 HB3 PHE 38 HB3 PHE 38 3.386 6.867 -10.903 274 HD1 PHE 38 HD1 PHE 38 2.659 3.361 -11.803 275 HD2 PHE 38 HD2 PHE 38 5.651 6.453 -11.715 276 HE1 PHE 38 HE1 PHE 38 4.084 2.026 -13.328 277 HE2 PHE 38 HE2 PHE 38 7.077 5.114 -13.236 278 HZ PHE 38 HZ PHE 38 6.293 2.908 -14.054 279 H LYS 39 H LYS 39 1.022 5.641 -8.372 280 HA LYS 39 HA LYS 39 0.919 3.016 -7.163 281 HB2 LYS 39 HB2 LYS 39 -0.250 4.907 -6.189 282 HB3 LYS 39 HB3 LYS 39 -1.186 5.154 -7.676 283 HG2 LYS 39 HG2 LYS 39 -2.415 3.133 -7.380 284 HG3 LYS 39 HG3 LYS 39 -1.293 2.534 -6.141 285 HD2 LYS 39 HD2 LYS 39 -3.008 5.027 -5.805 286 HD3 LYS 39 HD3 LYS 39 -3.476 3.409 -5.234 287 HE2 LYS 39 HE2 LYS 39 -1.401 3.285 -3.884 288 HE3 LYS 39 HE3 LYS 39 -0.960 4.918 -4.411 289 HZ1 LYS 39 HZ1 LYS 39 -2.962 5.730 -3.375 290 HZ2 LYS 39 HZ2 LYS 39 -3.361 4.211 -2.869 291 HZ3 LYS 39 HZ3 LYS 39 -2.016 4.946 -2.282 292 H ASP 40 H ASP 40 -0.602 1.331 -7.736 293 HA ASP 40 HA ASP 40 -1.305 1.297 -10.636 294 HB2 ASP 40 HB2 ASP 40 0.821 0.087 -10.203 295 HB3 ASP 40 HB3 ASP 40 -0.008 -0.937 -9.029 296 H GLU 41 H GLU 41 -2.267 0.916 -7.358 297 HA GLU 41 HA GLU 41 -4.351 -1.031 -7.731 298 HB2 GLU 41 HB2 GLU 41 -3.320 -0.527 -5.558 299 HB3 GLU 41 HB3 GLU 41 -3.900 1.150 -5.655 300 HG2 GLU 41 HG2 GLU 41 -6.214 0.403 -5.596 301 HG3 GLU 41 HG3 GLU 41 -5.699 -1.297 -5.668 302 H ALA 42 H ALA 42 -3.943 2.317 -8.560 303 HA ALA 42 HA ALA 42 -6.653 2.490 -9.618 304 HB1 ALA 42 HB1 ALA 42 -6.993 3.135 -7.251 305 HB2 ALA 42 HB2 ALA 42 -5.706 4.354 -7.402 306 HB3 ALA 42 HB3 ALA 42 -7.215 4.524 -8.336 307 H GLU 43 H GLU 43 -6.933 4.568 -10.824 308 HA GLU 43 HA GLU 43 -4.453 6.016 -11.485 309 HB2 GLU 43 HB2 GLU 43 -4.379 4.041 -12.935 310 HB3 GLU 43 HB3 GLU 43 -6.018 4.383 -13.524 311 HG2 GLU 43 HG2 GLU 43 -5.270 6.472 -14.542 312 HG3 GLU 43 HG3 GLU 43 -3.653 6.275 -13.836 313 H LEU 44 H LEU 44 -7.907 5.682 -11.344 314 HA LEU 44 HA LEU 44 -8.240 8.546 -12.060 315 HB2 LEU 44 HB2 LEU 44 -9.879 6.214 -13.133 316 HB3 LEU 44 HB3 LEU 44 -10.336 7.916 -13.295 317 HG LEU 44 HG LEU 44 -7.740 6.742 -14.391 318 HD11 LEU 44 HD11 LEU 44 -10.368 7.382 -15.790 319 HD12 LEU 44 HD12 LEU 44 -8.859 6.869 -16.584 320 HD13 LEU 44 HD13 LEU 44 -9.711 5.755 -15.494 321 HD21 LEU 44 HD21 LEU 44 -7.667 9.186 -13.964 322 HD22 LEU 44 HD22 LEU 44 -7.705 8.848 -15.705 323 HD23 LEU 44 HD23 LEU 44 -9.181 9.393 -14.873 324 H GLU 45 H GLU 45 -10.403 9.352 -11.328 325 HA GLU 45 HA GLU 45 -10.845 8.605 -8.585 326 HB2 GLU 45 HB2 GLU 45 -12.453 10.365 -10.478 327 HB3 GLU 45 HB3 GLU 45 -12.703 10.267 -8.731 328 HG2 GLU 45 HG2 GLU 45 -10.110 11.130 -10.086 329 HG3 GLU 45 HG3 GLU 45 -11.327 12.231 -9.421 330 H LEU 46 H LEU 46 -12.922 7.945 -7.655 331 HA LEU 46 HA LEU 46 -13.907 5.568 -8.899 332 HB2 LEU 46 HB2 LEU 46 -13.766 5.844 -6.467 333 HB3 LEU 46 HB3 LEU 46 -14.907 7.200 -6.534 334 HG LEU 46 HG LEU 46 -16.668 5.650 -7.396 335 HD11 LEU 46 HD11 LEU 46 -14.558 3.517 -6.840 336 HD12 LEU 46 HD12 LEU 46 -16.267 3.206 -7.224 337 HD13 LEU 46 HD13 LEU 46 -15.209 3.940 -8.443 338 HD21 LEU 46 HD21 LEU 46 -16.435 6.134 -4.982 339 HD22 LEU 46 HD22 LEU 46 -17.025 4.480 -5.267 340 HD23 LEU 46 HD23 LEU 46 -15.326 4.750 -4.818 341 H VAL 47 H VAL 47 -15.968 5.118 -9.786 342 HA VAL 47 HA VAL 47 -17.008 7.198 -11.430 343 HB VAL 47 HB VAL 47 -18.525 5.550 -12.278 344 HG11 VAL 47 HG11 VAL 47 -15.974 4.115 -11.423 345 HG12 VAL 47 HG12 VAL 47 -17.019 3.709 -12.805 346 HG13 VAL 47 HG13 VAL 47 -16.104 5.232 -12.799 347 HG21 VAL 47 HG21 VAL 47 -19.434 4.689 -10.169 348 HG22 VAL 47 HG22 VAL 47 -18.841 3.357 -11.178 349 HG23 VAL 47 HG23 VAL 47 -17.874 3.917 -9.793 350 HA PRO 48 HA PRO 48 -20.089 9.024 -8.869 351 HB2 PRO 48 HB2 PRO 48 -21.960 9.799 -10.731 352 HB3 PRO 48 HB3 PRO 48 -20.373 10.612 -10.521 353 HG2 PRO 48 HG2 PRO 48 -21.171 8.530 -12.567 354 HG3 PRO 48 HG3 PRO 48 -20.224 10.035 -12.812 355 HD2 PRO 48 HD2 PRO 48 -19.044 7.572 -12.533 356 HD3 PRO 48 HD3 PRO 48 -18.274 9.068 -11.930 357 H ARG 49 H ARG 49 -22.321 8.759 -8.130 358 HA ARG 49 HA ARG 49 -23.145 5.989 -8.137 359 HB2 ARG 49 HB2 ARG 49 -24.564 8.471 -7.080 360 HB3 ARG 49 HB3 ARG 49 -24.951 6.792 -6.671 361 HG2 ARG 49 HG2 ARG 49 -22.320 8.215 -6.060 362 HG3 ARG 49 HG3 ARG 49 -23.609 7.847 -4.897 363 HD2 ARG 49 HD2 ARG 49 -23.302 5.422 -5.340 364 HD3 ARG 49 HD3 ARG 49 -21.990 5.799 -6.470 365 HE ARG 49 HE ARG 49 -21.930 6.024 -3.521 366 HH11 ARG 49 HH11 ARG 49 -20.300 6.521 -6.617 367 HH12 ARG 49 HH12 ARG 49 -18.717 6.684 -5.894 368 HH21 ARG 49 HH21 ARG 49 -19.857 6.235 -2.600 369 HH22 ARG 49 HH22 ARG 49 -18.465 6.510 -3.618 Start of MODEL 6 1 H1 MET 1 H1 MET 1 3.678 -1.686 -0.195 2 H2 MET 1 H2 MET 1 2.499 -0.725 -0.830 3 H3 MET 1 H3 MET 1 3.874 -0.050 -0.228 4 HA MET 1 HA MET 1 3.749 -1.830 -2.549 5 HB2 MET 1 HB2 MET 1 2.697 0.298 -3.061 6 HB3 MET 1 HB3 MET 1 4.075 1.189 -2.385 7 HG2 MET 1 HG2 MET 1 5.536 0.436 -4.129 8 HG3 MET 1 HG3 MET 1 4.370 -0.784 -4.666 9 HE1 MET 1 HE1 MET 1 3.800 3.023 -3.735 10 HE2 MET 1 HE2 MET 1 5.371 2.969 -4.570 11 HE3 MET 1 HE3 MET 1 3.978 3.774 -5.339 12 H ILE 2 H ILE 2 5.787 -2.026 -3.722 13 HA ILE 2 HA ILE 2 8.155 -1.242 -2.120 14 HB ILE 2 HB ILE 2 7.303 -3.710 -1.881 15 HG12 ILE 2 HG12 ILE 2 10.214 -3.274 -2.624 16 HG13 ILE 2 HG13 ILE 2 9.490 -2.638 -1.131 17 HG21 ILE 2 HG21 ILE 2 8.891 -3.941 -4.472 18 HG22 ILE 2 HG22 ILE 2 8.167 -5.267 -3.537 19 HG23 ILE 2 HG23 ILE 2 7.120 -4.094 -4.364 20 HD11 ILE 2 HD11 ILE 2 10.554 -4.794 -0.672 21 HD12 ILE 2 HD12 ILE 2 8.796 -4.913 -0.461 22 HD13 ILE 2 HD13 ILE 2 9.568 -5.576 -1.925 23 H LEU 3 H LEU 3 10.030 -0.830 -3.336 24 HA LEU 3 HA LEU 3 9.656 -0.645 -6.288 25 HB2 LEU 3 HB2 LEU 3 10.689 1.500 -4.409 26 HB3 LEU 3 HB3 LEU 3 10.680 1.615 -6.178 27 HG LEU 3 HG LEU 3 8.149 1.203 -4.523 28 HD11 LEU 3 HD11 LEU 3 9.344 3.771 -5.624 29 HD12 LEU 3 HD12 LEU 3 7.769 3.614 -4.810 30 HD13 LEU 3 HD13 LEU 3 9.272 3.314 -3.903 31 HD21 LEU 3 HD21 LEU 3 7.981 0.581 -6.917 32 HD22 LEU 3 HD22 LEU 3 7.061 2.068 -6.573 33 HD23 LEU 3 HD23 LEU 3 8.644 2.174 -7.372 34 H THR 4 H THR 4 11.575 -0.798 -7.510 35 HA THR 4 HA THR 4 13.869 -1.861 -6.004 36 HB THR 4 HB THR 4 13.700 -1.868 -8.998 37 HG1 THR 4 HG1 THR 4 12.597 -3.820 -8.816 38 HG21 THR 4 HG21 THR 4 15.005 -3.944 -8.693 39 HG22 THR 4 HG22 THR 4 15.805 -2.567 -7.910 40 HG23 THR 4 HG23 THR 4 14.907 -3.747 -6.927 41 H CYS 5 H CYS 5 15.854 -0.940 -5.860 42 HA CYS 5 HA CYS 5 16.067 1.845 -6.644 43 HB2 CYS 5 HB2 CYS 5 16.985 1.037 -4.526 44 HB3 CYS 5 HB3 CYS 5 18.080 -0.056 -5.400 45 HA PRO 6 HA PRO 6 17.928 1.017 -10.633 46 HB2 PRO 6 HB2 PRO 6 18.999 3.794 -10.342 47 HB3 PRO 6 HB3 PRO 6 18.009 3.097 -11.658 48 HG2 PRO 6 HG2 PRO 6 16.944 4.830 -9.818 49 HG3 PRO 6 HG3 PRO 6 16.006 3.445 -10.473 50 HD2 PRO 6 HD2 PRO 6 17.430 3.663 -7.823 51 HD3 PRO 6 HD3 PRO 6 15.843 2.944 -8.211 52 H GLU 7 H GLU 7 19.547 1.965 -7.696 53 HA GLU 7 HA GLU 7 22.223 1.504 -8.943 54 HB2 GLU 7 HB2 GLU 7 21.480 3.033 -6.423 55 HB3 GLU 7 HB3 GLU 7 23.112 2.857 -7.086 56 HG2 GLU 7 HG2 GLU 7 20.771 4.180 -8.524 57 HG3 GLU 7 HG3 GLU 7 22.030 5.044 -7.646 58 H CYS 8 H CYS 8 20.238 0.787 -6.006 59 HA CYS 8 HA CYS 8 22.290 -1.048 -5.020 60 HB2 CYS 8 HB2 CYS 8 19.427 -0.565 -4.082 61 HB3 CYS 8 HB3 CYS 8 20.652 -1.527 -3.237 62 H ALA 9 H ALA 9 19.682 -1.193 -7.264 63 HA ALA 9 HA ALA 9 18.595 -2.887 -8.325 64 HB1 ALA 9 HB1 ALA 9 21.165 -4.402 -7.724 65 HB2 ALA 9 HB2 ALA 9 19.966 -4.821 -8.963 66 HB3 ALA 9 HB3 ALA 9 20.893 -3.304 -9.099 67 H SER 10 H SER 10 17.919 -2.542 -5.623 68 HA SER 10 HA SER 10 17.128 -5.295 -4.855 69 HB2 SER 10 HB2 SER 10 19.242 -4.661 -3.667 70 HB3 SER 10 HB3 SER 10 18.381 -3.272 -2.964 71 HG SER 10 HG SER 10 18.360 -5.120 -1.598 72 H ARG 11 H ARG 11 15.434 -5.226 -3.110 73 HA ARG 11 HA ARG 11 13.416 -3.285 -3.977 74 HB2 ARG 11 HB2 ARG 11 13.238 -5.655 -2.068 75 HB3 ARG 11 HB3 ARG 11 11.869 -4.734 -2.712 76 HG2 ARG 11 HG2 ARG 11 13.840 -6.361 -4.375 77 HG3 ARG 11 HG3 ARG 11 12.196 -6.859 -3.939 78 HD2 ARG 11 HD2 ARG 11 11.303 -4.856 -5.136 79 HD3 ARG 11 HD3 ARG 11 12.952 -4.431 -5.620 80 HE ARG 11 HE ARG 11 12.980 -6.178 -7.161 81 HH11 ARG 11 HH11 ARG 11 10.051 -6.309 -5.184 82 HH12 ARG 11 HH12 ARG 11 9.261 -7.479 -6.215 83 HH21 ARG 11 HH21 ARG 11 11.927 -7.713 -8.487 84 HH22 ARG 11 HH22 ARG 11 10.315 -8.261 -8.085 85 H TYR 12 H TYR 12 12.212 -1.953 -2.640 86 HA TYR 12 HA TYR 12 12.858 -1.750 0.197 87 HB2 TYR 12 HB2 TYR 12 14.565 -0.320 -0.511 88 HB3 TYR 12 HB3 TYR 12 13.562 0.422 -1.759 89 HD1 TYR 12 HD1 TYR 12 14.211 0.270 1.880 90 HD2 TYR 12 HD2 TYR 12 12.053 2.225 -1.287 91 HE1 TYR 12 HE1 TYR 12 13.583 2.093 3.442 92 HE2 TYR 12 HE2 TYR 12 11.443 4.066 0.261 93 HH TYR 12 HH TYR 12 12.449 4.066 3.705 94 H PHE 13 H PHE 13 11.181 -1.027 1.454 95 HA PHE 13 HA PHE 13 8.713 -0.726 -0.136 96 HB2 PHE 13 HB2 PHE 13 7.594 -1.643 1.982 97 HB3 PHE 13 HB3 PHE 13 8.487 -2.722 0.916 98 HD1 PHE 13 HD2 PHE 13 8.632 -0.933 4.167 99 HD2 PHE 13 HD1 PHE 13 10.475 -3.860 1.611 100 HE1 PHE 13 HE2 PHE 13 10.040 -1.706 6.062 101 HE2 PHE 13 HE1 PHE 13 11.880 -4.629 3.509 102 HZ PHE 13 HZ PHE 13 11.656 -3.560 5.733 103 H VAL 14 H VAL 14 6.981 0.520 0.405 104 HA VAL 14 HA VAL 14 7.272 2.525 2.545 105 HB VAL 14 HB VAL 14 6.708 4.365 1.030 106 HG11 VAL 14 HG11 VAL 14 8.820 4.589 -0.157 107 HG12 VAL 14 HG12 VAL 14 9.113 3.840 1.428 108 HG13 VAL 14 HG13 VAL 14 9.114 2.842 -0.045 109 HG21 VAL 14 HG21 VAL 14 5.464 3.114 -0.683 110 HG22 VAL 14 HG22 VAL 14 6.769 4.063 -1.418 111 HG23 VAL 14 HG23 VAL 14 6.969 2.311 -1.205 112 H ASP 15 H ASP 15 5.204 3.574 3.058 113 HA ASP 15 HA ASP 15 3.005 1.753 2.863 114 HB2 ASP 15 HB2 ASP 15 3.160 4.639 3.781 115 HB3 ASP 15 HB3 ASP 15 1.715 3.627 3.901 116 H ASP 16 H ASP 16 0.935 2.065 1.874 117 HA ASP 16 HA ASP 16 1.196 2.837 -0.869 118 HB2 ASP 16 HB2 ASP 16 -1.210 2.087 0.826 119 HB3 ASP 16 HB3 ASP 16 -1.279 2.353 -0.921 120 H SER 17 H SER 17 0.566 4.743 1.893 121 HA SER 17 HA SER 17 -1.096 6.722 0.519 122 HB2 SER 17 HB2 SER 17 -1.361 6.254 2.928 123 HB3 SER 17 HB3 SER 17 0.324 6.752 3.211 124 HG SER 17 HG SER 17 -1.801 8.354 2.220 125 H LYS 18 H LYS 18 2.264 5.970 0.672 126 HA LYS 18 HA LYS 18 3.243 8.700 0.556 127 HB2 LYS 18 HB2 LYS 18 4.624 6.056 -0.065 128 HB3 LYS 18 HB3 LYS 18 5.427 7.614 0.157 129 HG2 LYS 18 HG2 LYS 18 3.775 6.155 2.269 130 HG3 LYS 18 HG3 LYS 18 5.545 6.208 2.190 131 HD2 LYS 18 HD2 LYS 18 5.460 8.693 2.414 132 HD3 LYS 18 HD3 LYS 18 3.690 8.594 2.597 133 HE2 LYS 18 HE2 LYS 18 3.983 7.124 4.577 134 HE3 LYS 18 HE3 LYS 18 5.742 7.233 4.391 135 HZ1 LYS 18 HZ1 LYS 18 3.945 9.501 4.908 136 HZ2 LYS 18 HZ2 LYS 18 4.936 8.782 6.013 137 HZ3 LYS 18 HZ3 LYS 18 5.584 9.592 4.740 138 H VAL 19 H VAL 19 1.757 6.653 -1.739 139 HA VAL 19 HA VAL 19 2.724 8.384 -3.930 140 HB VAL 19 HB VAL 19 2.741 5.363 -4.168 141 HG11 VAL 19 HG11 VAL 19 3.992 5.857 -6.253 142 HG12 VAL 19 HG12 VAL 19 2.361 6.561 -6.282 143 HG13 VAL 19 HG13 VAL 19 3.771 7.597 -5.958 144 HG21 VAL 19 HG21 VAL 19 5.074 7.281 -3.764 145 HG22 VAL 19 HG22 VAL 19 4.551 5.987 -2.653 146 HG23 VAL 19 HG23 VAL 19 5.222 5.576 -4.241 147 H GLY 20 H GLY 20 1.266 8.687 -5.598 148 HA2 GLY 20 HA2 GLY 20 -1.372 7.306 -5.342 149 HA3 GLY 20 HA3 GLY 20 -1.236 9.050 -5.593 150 HA PRO 21 HA PRO 21 -1.424 6.828 -9.708 151 HB2 PRO 21 HB2 PRO 21 -3.694 8.051 -10.663 152 HB3 PRO 21 HB3 PRO 21 -3.723 6.570 -9.651 153 HG2 PRO 21 HG2 PRO 21 -4.167 9.441 -8.825 154 HG3 PRO 21 HG3 PRO 21 -5.080 7.982 -8.321 155 HD2 PRO 21 HD2 PRO 21 -3.097 9.135 -6.794 156 HD3 PRO 21 HD3 PRO 21 -3.433 7.381 -6.756 157 H ASP 22 H ASP 22 -1.534 10.137 -8.537 158 HA ASP 22 HA ASP 22 -0.887 11.366 -11.102 159 HB2 ASP 22 HB2 ASP 22 -2.108 12.451 -9.144 160 HB3 ASP 22 HB3 ASP 22 -0.573 12.448 -8.264 161 H GLY 23 H GLY 23 0.758 9.380 -8.921 162 HA2 GLY 23 HA2 GLY 23 2.965 8.708 -8.940 163 HA3 GLY 23 HA3 GLY 23 3.371 10.029 -10.049 164 H ARG 24 H ARG 24 4.922 9.266 -7.791 165 HA ARG 24 HA ARG 24 5.138 11.831 -6.421 166 HB2 ARG 24 HB2 ARG 24 3.376 10.197 -5.244 167 HB3 ARG 24 HB3 ARG 24 4.838 9.430 -4.612 168 HG2 ARG 24 HG2 ARG 24 4.210 12.410 -4.348 169 HG3 ARG 24 HG3 ARG 24 3.778 11.195 -3.132 170 HD2 ARG 24 HD2 ARG 24 6.218 10.561 -3.012 171 HD3 ARG 24 HD3 ARG 24 6.568 11.982 -4.025 172 HE ARG 24 HE ARG 24 5.060 13.032 -1.994 173 HH11 ARG 24 HH11 ARG 24 7.984 11.049 -2.107 174 HH12 ARG 24 HH12 ARG 24 8.601 11.661 -0.590 175 HH21 ARG 24 HH21 ARG 24 5.881 13.814 -0.019 176 HH22 ARG 24 HH22 ARG 24 7.418 13.240 0.584 177 H VAL 25 H VAL 25 7.293 12.159 -5.887 178 HA VAL 25 HA VAL 25 9.202 10.199 -6.783 179 HB VAL 25 HB VAL 25 9.428 12.708 -6.931 180 HG11 VAL 25 HG11 VAL 25 10.341 13.880 -4.981 181 HG12 VAL 25 HG12 VAL 25 8.741 13.200 -4.591 182 HG13 VAL 25 HG13 VAL 25 10.220 12.406 -4.000 183 HG21 VAL 25 HG21 VAL 25 11.322 11.156 -7.308 184 HG22 VAL 25 HG22 VAL 25 11.850 12.674 -6.551 185 HG23 VAL 25 HG23 VAL 25 11.703 11.205 -5.568 186 H VAL 26 H VAL 26 10.799 9.082 -5.608 187 HA VAL 26 HA VAL 26 10.313 8.832 -2.683 188 HB VAL 26 HB VAL 26 10.418 6.479 -2.738 189 HG11 VAL 26 HG11 VAL 26 8.758 7.297 -5.167 190 HG12 VAL 26 HG12 VAL 26 8.555 5.828 -4.188 191 HG13 VAL 26 HG13 VAL 26 8.230 7.422 -3.472 192 HG21 VAL 26 HG21 VAL 26 12.241 6.231 -4.377 193 HG22 VAL 26 HG22 VAL 26 10.871 5.182 -4.796 194 HG23 VAL 26 HG23 VAL 26 11.138 6.693 -5.690 195 H ARG 27 H ARG 27 12.184 7.569 -1.611 196 HA ARG 27 HA ARG 27 14.769 8.285 -2.881 197 HB2 ARG 27 HB2 ARG 27 14.198 10.157 -1.421 198 HB3 ARG 27 HB3 ARG 27 13.881 9.040 -0.072 199 HG2 ARG 27 HG2 ARG 27 16.237 8.322 -0.084 200 HG3 ARG 27 HG3 ARG 27 16.557 9.365 -1.485 201 HD2 ARG 27 HD2 ARG 27 17.301 10.483 0.551 202 HD3 ARG 27 HD3 ARG 27 15.919 11.350 -0.136 203 HE ARG 27 HE ARG 27 14.642 10.805 1.722 204 HH11 ARG 27 HH11 ARG 27 17.587 8.842 1.709 205 HH12 ARG 27 HH12 ARG 27 17.332 8.239 3.328 206 HH21 ARG 27 HH21 ARG 27 14.329 9.990 3.831 207 HH22 ARG 27 HH22 ARG 27 15.492 8.882 4.523 208 H CYS 28 H CYS 28 16.447 6.940 -2.438 209 HA CYS 28 HA CYS 28 15.792 4.313 -1.394 210 HB2 CYS 28 HB2 CYS 28 17.240 4.764 -3.388 211 HB3 CYS 28 HB3 CYS 28 18.451 5.478 -2.314 212 H ALA 29 H ALA 29 16.298 3.459 0.556 213 HA ALA 29 HA ALA 29 17.429 5.198 2.614 214 HB1 ALA 29 HB1 ALA 29 15.548 3.670 3.096 215 HB2 ALA 29 HB2 ALA 29 16.572 2.276 2.655 216 HB3 ALA 29 HB3 ALA 29 16.974 3.262 4.081 217 H SER 30 H SER 30 18.763 3.229 0.183 218 HA SER 30 HA SER 30 21.011 2.388 1.942 219 HB2 SER 30 HB2 SER 30 19.875 1.222 -0.618 220 HB3 SER 30 HB3 SER 30 21.419 0.706 0.102 221 HG SER 30 HG SER 30 19.628 -0.564 0.807 222 H CYS 31 H CYS 31 20.244 4.486 -0.763 223 HA CYS 31 HA CYS 31 23.092 5.210 -0.787 224 HB2 CYS 31 HB2 CYS 31 23.410 4.989 -3.151 225 HB3 CYS 31 HB3 CYS 31 22.821 3.430 -2.522 226 H GLY 32 H GLY 32 19.857 6.170 -0.804 227 HA2 GLY 32 HA2 GLY 32 19.091 8.329 -0.542 228 HA3 GLY 32 HA3 GLY 32 20.717 8.942 -0.898 229 H ASN 33 H ASN 33 19.890 6.802 -3.361 230 HA ASN 33 HA ASN 33 19.587 8.812 -5.346 231 HB2 ASN 33 HB2 ASN 33 20.388 6.443 -5.655 232 HB3 ASN 33 HB3 ASN 33 18.714 5.898 -5.444 233 HD21 ASN 33 HD22 ASN 33 18.614 5.019 -7.554 234 HD22 ASN 33 HD21 ASN 33 18.512 6.041 -8.971 235 H ARG 34 H ARG 34 17.706 9.349 -6.634 236 HA ARG 34 HA ARG 34 15.097 8.789 -5.315 237 HB2 ARG 34 HB2 ARG 34 16.072 11.502 -6.299 238 HB3 ARG 34 HB3 ARG 34 14.449 11.145 -5.668 239 HG2 ARG 34 HG2 ARG 34 15.428 10.530 -3.482 240 HG3 ARG 34 HG3 ARG 34 17.056 10.895 -4.106 241 HD2 ARG 34 HD2 ARG 34 16.338 13.227 -4.581 242 HD3 ARG 34 HD3 ARG 34 14.741 12.864 -3.912 243 HE ARG 34 HE ARG 34 15.600 12.962 -1.762 244 HH11 ARG 34 HH11 ARG 34 18.257 12.900 -4.100 245 HH12 ARG 34 HH12 ARG 34 19.469 13.328 -2.915 246 HH21 ARG 34 HH21 ARG 34 17.203 13.506 -0.232 247 HH22 ARG 34 HH22 ARG 34 18.877 13.639 -0.719 248 H TRP 35 H TRP 35 13.313 8.695 -6.664 249 HA TRP 35 HA TRP 35 13.471 9.439 -9.468 250 HB2 TRP 35 HB2 TRP 35 13.125 7.217 -10.377 251 HB3 TRP 35 HB3 TRP 35 14.650 7.257 -9.496 252 HD1 TRP 35 HD1 TRP 35 11.213 5.676 -9.467 253 HE1 TRP 35 HE1 TRP 35 11.081 3.806 -7.752 254 HE3 TRP 35 HE3 TRP 35 15.705 6.428 -7.129 255 HZ2 TRP 35 HZ2 TRP 35 12.726 2.744 -5.614 256 HZ3 TRP 35 HZ3 TRP 35 16.377 4.980 -5.246 257 HH2 TRP 35 HH2 TRP 35 14.900 3.138 -4.477 258 H THR 36 H THR 36 11.342 9.147 -10.526 259 HA THR 36 HA THR 36 9.218 9.552 -8.626 260 HB THR 36 HB THR 36 8.695 9.216 -11.547 261 HG1 THR 36 HG1 THR 36 9.396 11.345 -11.818 262 HG21 THR 36 HG21 THR 36 7.686 11.110 -9.379 263 HG22 THR 36 HG22 THR 36 7.121 11.076 -11.067 264 HG23 THR 36 HG23 THR 36 6.822 9.684 -10.007 265 H ALA 37 H ALA 37 7.522 8.302 -8.028 266 HA ALA 37 HA ALA 37 7.395 5.552 -9.181 267 HB1 ALA 37 HB1 ALA 37 6.716 4.780 -6.951 268 HB2 ALA 37 HB2 ALA 37 8.317 5.548 -6.889 269 HB3 ALA 37 HB3 ALA 37 6.880 6.433 -6.311 270 H PHE 38 H PHE 38 5.184 4.558 -8.904 271 HA PHE 38 HA PHE 38 2.999 6.453 -8.577 272 HB2 PHE 38 HB2 PHE 38 2.003 5.685 -10.823 273 HB3 PHE 38 HB3 PHE 38 3.225 6.962 -10.776 274 HD1 PHE 38 HD1 PHE 38 2.620 3.416 -11.659 275 HD2 PHE 38 HD2 PHE 38 5.414 6.684 -11.727 276 HE1 PHE 38 HE1 PHE 38 4.052 2.157 -13.240 277 HE2 PHE 38 HE2 PHE 38 6.848 5.424 -13.312 278 HZ PHE 38 HZ PHE 38 6.170 3.157 -14.068 279 H LYS 39 H LYS 39 0.933 5.586 -8.261 280 HA LYS 39 HA LYS 39 1.022 3.048 -6.916 281 HB2 LYS 39 HB2 LYS 39 -0.425 4.921 -6.195 282 HB3 LYS 39 HB3 LYS 39 -1.324 4.824 -7.721 283 HG2 LYS 39 HG2 LYS 39 -2.579 3.699 -5.962 284 HG3 LYS 39 HG3 LYS 39 -2.050 2.528 -7.169 285 HD2 LYS 39 HD2 LYS 39 -1.753 1.686 -4.860 286 HD3 LYS 39 HD3 LYS 39 -0.210 1.789 -5.717 287 HE2 LYS 39 HE2 LYS 39 0.016 2.621 -3.427 288 HE3 LYS 39 HE3 LYS 39 0.296 3.928 -4.587 289 HZ1 LYS 39 HZ1 LYS 39 -1.954 4.670 -4.199 290 HZ2 LYS 39 HZ2 LYS 39 -2.218 3.456 -3.121 291 HZ3 LYS 39 HZ3 LYS 39 -1.114 4.627 -2.794 292 H ASP 40 H ASP 40 0.158 1.069 -7.492 293 HA ASP 40 HA ASP 40 -1.295 0.710 -9.995 294 HB2 ASP 40 HB2 ASP 40 1.090 0.935 -10.722 295 HB3 ASP 40 HB3 ASP 40 1.517 -0.422 -9.670 296 H GLU 41 H GLU 41 0.166 -0.449 -7.006 297 HA GLU 41 HA GLU 41 -0.631 -3.189 -7.188 298 HB2 GLU 41 HB2 GLU 41 -0.004 -1.336 -4.861 299 HB3 GLU 41 HB3 GLU 41 -0.366 -3.061 -4.661 300 HG2 GLU 41 HG2 GLU 41 1.496 -3.589 -6.273 301 HG3 GLU 41 HG3 GLU 41 1.909 -1.863 -6.296 302 H ALA 42 H ALA 42 -2.492 -0.305 -6.674 303 HA ALA 42 HA ALA 42 -4.851 -1.927 -6.043 304 HB1 ALA 42 HB1 ALA 42 -5.370 -0.646 -4.003 305 HB2 ALA 42 HB2 ALA 42 -3.789 -1.445 -3.842 306 HB3 ALA 42 HB3 ALA 42 -3.875 0.295 -4.194 307 H GLU 43 H GLU 43 -3.769 -0.133 -8.214 308 HA GLU 43 HA GLU 43 -5.474 2.227 -8.158 309 HB2 GLU 43 HB2 GLU 43 -3.306 2.293 -9.270 310 HB3 GLU 43 HB3 GLU 43 -3.743 0.917 -10.292 311 HG2 GLU 43 HG2 GLU 43 -3.899 2.980 -11.572 312 HG3 GLU 43 HG3 GLU 43 -5.493 2.253 -11.403 313 H LEU 44 H LEU 44 -5.837 -1.100 -9.077 314 HA LEU 44 HA LEU 44 -7.857 -0.742 -11.080 315 HB2 LEU 44 HB2 LEU 44 -8.069 -3.064 -11.047 316 HB3 LEU 44 HB3 LEU 44 -6.369 -2.786 -10.660 317 HG LEU 44 HG LEU 44 -8.572 -3.368 -8.613 318 HD11 LEU 44 HD11 LEU 44 -8.109 -5.284 -10.107 319 HD12 LEU 44 HD12 LEU 44 -6.376 -5.156 -9.740 320 HD13 LEU 44 HD13 LEU 44 -7.524 -5.597 -8.456 321 HD21 LEU 44 HD21 LEU 44 -6.741 -2.116 -7.586 322 HD22 LEU 44 HD22 LEU 44 -6.636 -3.817 -7.096 323 HD23 LEU 44 HD23 LEU 44 -5.539 -3.191 -8.349 324 H GLU 45 H GLU 45 -10.134 -1.399 -10.877 325 HA GLU 45 HA GLU 45 -11.411 -0.022 -8.703 326 HB2 GLU 45 HB2 GLU 45 -12.324 -0.133 -10.982 327 HB3 GLU 45 HB3 GLU 45 -12.536 -1.891 -10.821 328 HG2 GLU 45 HG2 GLU 45 -14.120 -1.568 -8.979 329 HG3 GLU 45 HG3 GLU 45 -13.850 0.185 -9.021 330 H LEU 46 H LEU 46 -12.610 -0.822 -6.960 331 HA LEU 46 HA LEU 46 -11.579 -3.239 -5.793 332 HB2 LEU 46 HB2 LEU 46 -13.954 -1.537 -4.958 333 HB3 LEU 46 HB3 LEU 46 -13.094 -2.712 -3.950 334 HG LEU 46 HG LEU 46 -11.865 -0.178 -5.131 335 HD11 LEU 46 HD11 LEU 46 -11.866 0.611 -2.794 336 HD12 LEU 46 HD12 LEU 46 -13.522 0.262 -3.342 337 HD13 LEU 46 HD13 LEU 46 -12.682 -0.885 -2.283 338 HD21 LEU 46 HD21 LEU 46 -10.192 -1.964 -4.846 339 HD22 LEU 46 HD22 LEU 46 -9.978 -0.718 -3.600 340 HD23 LEU 46 HD23 LEU 46 -10.761 -2.260 -3.189 341 H VAL 47 H VAL 47 -12.811 -5.087 -5.072 342 HA VAL 47 HA VAL 47 -14.451 -6.178 -7.151 343 HB VAL 47 HB VAL 47 -14.586 -8.146 -5.744 344 HG11 VAL 47 HG11 VAL 47 -12.209 -8.576 -5.391 345 HG12 VAL 47 HG12 VAL 47 -12.430 -7.654 -6.895 346 HG13 VAL 47 HG13 VAL 47 -11.852 -6.838 -5.425 347 HG21 VAL 47 HG21 VAL 47 -15.079 -7.061 -3.586 348 HG22 VAL 47 HG22 VAL 47 -13.689 -8.159 -3.445 349 HG23 VAL 47 HG23 VAL 47 -13.425 -6.403 -3.533 350 HA PRO 48 HA PRO 48 -18.436 -4.855 -5.846 351 HB2 PRO 48 HB2 PRO 48 -20.045 -6.809 -6.891 352 HB3 PRO 48 HB3 PRO 48 -19.159 -5.629 -7.909 353 HG2 PRO 48 HG2 PRO 48 -18.382 -8.481 -7.219 354 HG3 PRO 48 HG3 PRO 48 -18.332 -7.662 -8.813 355 HD2 PRO 48 HD2 PRO 48 -16.129 -7.932 -7.188 356 HD3 PRO 48 HD3 PRO 48 -16.359 -6.526 -8.275 357 H ARG 49 H ARG 49 -16.958 -7.677 -4.600 358 HA ARG 49 HA ARG 49 -19.116 -8.808 -3.100 359 HB2 ARG 49 HB2 ARG 49 -16.112 -8.906 -2.606 360 HB3 ARG 49 HB3 ARG 49 -17.329 -9.967 -1.870 361 HG2 ARG 49 HG2 ARG 49 -17.975 -10.768 -4.139 362 HG3 ARG 49 HG3 ARG 49 -16.713 -9.734 -4.852 363 HD2 ARG 49 HD2 ARG 49 -14.996 -10.933 -3.520 364 HD3 ARG 49 HD3 ARG 49 -16.255 -11.975 -2.842 365 HE ARG 49 HE ARG 49 -16.612 -12.960 -5.012 366 HH11 ARG 49 HH11 ARG 49 -13.787 -10.837 -4.808 367 HH12 ARG 49 HH12 ARG 49 -13.041 -11.502 -6.246 368 HH21 ARG 49 HH21 ARG 49 -15.612 -13.808 -6.866 369 HH22 ARG 49 HH22 ARG 49 -14.059 -13.199 -7.393 Start of MODEL 7 1 H1 MET 1 H1 MET 1 3.476 -1.953 0.047 2 H2 MET 1 H2 MET 1 2.244 -1.048 -0.558 3 H3 MET 1 H3 MET 1 3.616 -0.317 -0.013 4 HA MET 1 HA MET 1 3.485 -2.141 -2.307 5 HB2 MET 1 HB2 MET 1 3.825 -0.157 -3.708 6 HB3 MET 1 HB3 MET 1 2.323 -0.028 -2.771 7 HG2 MET 1 HG2 MET 1 3.595 1.332 -1.070 8 HG3 MET 1 HG3 MET 1 4.987 1.313 -2.168 9 HE1 MET 1 HE1 MET 1 3.765 3.400 -5.210 10 HE2 MET 1 HE2 MET 1 5.103 2.511 -4.457 11 HE3 MET 1 HE3 MET 1 3.672 1.632 -5.051 12 H ILE 2 H ILE 2 5.530 -1.862 -3.695 13 HA ILE 2 HA ILE 2 7.878 -1.259 -1.997 14 HB ILE 2 HB ILE 2 7.054 -3.760 -2.024 15 HG12 ILE 2 HG12 ILE 2 9.977 -3.212 -2.614 16 HG13 ILE 2 HG13 ILE 2 9.197 -2.699 -1.103 17 HG21 ILE 2 HG21 ILE 2 8.746 -3.701 -4.558 18 HG22 ILE 2 HG22 ILE 2 8.015 -5.122 -3.787 19 HG23 ILE 2 HG23 ILE 2 6.974 -3.892 -4.534 20 HD11 ILE 2 HD11 ILE 2 8.536 -5.015 -0.609 21 HD12 ILE 2 HD12 ILE 2 9.321 -5.568 -2.106 22 HD13 ILE 2 HD13 ILE 2 10.299 -4.869 -0.796 23 H LEU 3 H LEU 3 9.775 -0.768 -3.165 24 HA LEU 3 HA LEU 3 9.454 -0.401 -6.104 25 HB2 LEU 3 HB2 LEU 3 10.475 1.622 -4.081 26 HB3 LEU 3 HB3 LEU 3 10.599 1.811 -5.835 27 HG LEU 3 HG LEU 3 7.947 1.443 -4.367 28 HD11 LEU 3 HD11 LEU 3 9.299 3.982 -5.349 29 HD12 LEU 3 HD12 LEU 3 7.664 3.870 -4.657 30 HD13 LEU 3 HD13 LEU 3 9.083 3.516 -3.644 31 HD21 LEU 3 HD21 LEU 3 7.029 2.377 -6.490 32 HD22 LEU 3 HD22 LEU 3 8.673 2.403 -7.170 33 HD23 LEU 3 HD23 LEU 3 7.905 0.852 -6.775 34 H THR 4 H THR 4 11.395 -0.539 -7.303 35 HA THR 4 HA THR 4 13.668 -1.679 -5.790 36 HB THR 4 HB THR 4 13.390 -1.823 -8.771 37 HG1 THR 4 HG1 THR 4 12.272 -3.750 -8.446 38 HG21 THR 4 HG21 THR 4 14.652 -3.637 -6.665 39 HG22 THR 4 HG22 THR 4 14.694 -3.892 -8.423 40 HG23 THR 4 HG23 THR 4 15.538 -2.503 -7.710 41 H CYS 5 H CYS 5 15.679 -0.825 -5.740 42 HA CYS 5 HA CYS 5 15.945 1.931 -6.586 43 HB2 CYS 5 HB2 CYS 5 16.905 1.116 -4.494 44 HB3 CYS 5 HB3 CYS 5 17.930 -0.025 -5.387 45 HA PRO 6 HA PRO 6 17.674 1.006 -10.623 46 HB2 PRO 6 HB2 PRO 6 18.816 3.755 -10.387 47 HB3 PRO 6 HB3 PRO 6 17.763 3.071 -11.665 48 HG2 PRO 6 HG2 PRO 6 16.809 4.849 -9.813 49 HG3 PRO 6 HG3 PRO 6 15.812 3.483 -10.422 50 HD2 PRO 6 HD2 PRO 6 17.335 3.682 -7.823 51 HD3 PRO 6 HD3 PRO 6 15.707 3.019 -8.147 52 H GLU 7 H GLU 7 19.400 1.923 -7.728 53 HA GLU 7 HA GLU 7 22.019 1.381 -9.058 54 HB2 GLU 7 HB2 GLU 7 21.396 2.983 -6.552 55 HB3 GLU 7 HB3 GLU 7 23.001 2.755 -7.252 56 HG2 GLU 7 HG2 GLU 7 20.651 4.093 -8.655 57 HG3 GLU 7 HG3 GLU 7 21.973 4.945 -7.852 58 H CYS 8 H CYS 8 20.089 0.750 -6.081 59 HA CYS 8 HA CYS 8 22.119 -1.119 -5.103 60 HB2 CYS 8 HB2 CYS 8 19.278 -0.567 -4.122 61 HB3 CYS 8 HB3 CYS 8 20.484 -1.571 -3.308 62 H ALA 9 H ALA 9 19.463 -1.208 -7.292 63 HA ALA 9 HA ALA 9 18.312 -2.856 -8.330 64 HB1 ALA 9 HB1 ALA 9 20.851 -4.447 -7.814 65 HB2 ALA 9 HB2 ALA 9 19.610 -4.807 -9.043 66 HB3 ALA 9 HB3 ALA 9 20.582 -3.321 -9.165 67 H SER 10 H SER 10 17.751 -2.526 -5.594 68 HA SER 10 HA SER 10 16.891 -5.262 -4.835 69 HB2 SER 10 HB2 SER 10 19.039 -4.687 -3.682 70 HB3 SER 10 HB3 SER 10 18.229 -3.279 -2.958 71 HG SER 10 HG SER 10 18.189 -5.159 -1.606 72 H ARG 11 H ARG 11 15.125 -5.246 -3.267 73 HA ARG 11 HA ARG 11 13.268 -3.087 -3.973 74 HB2 ARG 11 HB2 ARG 11 12.882 -5.699 -2.459 75 HB3 ARG 11 HB3 ARG 11 11.594 -4.568 -2.910 76 HG2 ARG 11 HG2 ARG 11 12.290 -4.819 -5.317 77 HG3 ARG 11 HG3 ARG 11 13.426 -6.088 -4.814 78 HD2 ARG 11 HD2 ARG 11 11.537 -7.374 -3.823 79 HD3 ARG 11 HD3 ARG 11 10.410 -6.118 -4.368 80 HE ARG 11 HE ARG 11 11.736 -8.174 -5.995 81 HH11 ARG 11 HH11 ARG 11 9.980 -5.100 -5.987 82 HH12 ARG 11 HH12 ARG 11 9.432 -5.272 -7.641 83 HH21 ARG 11 HH21 ARG 11 11.038 -8.355 -8.157 84 HH22 ARG 11 HH22 ARG 11 10.037 -7.111 -8.869 85 H TYR 12 H TYR 12 12.028 -1.901 -2.515 86 HA TYR 12 HA TYR 12 12.633 -2.021 0.330 87 HB2 TYR 12 HB2 TYR 12 14.377 -0.560 -0.227 88 HB3 TYR 12 HB3 TYR 12 13.391 0.331 -1.381 89 HD1 TYR 12 HD2 TYR 12 14.090 -0.198 2.207 90 HD2 TYR 12 HD1 TYR 12 11.866 2.072 -0.690 91 HE1 TYR 12 HE2 TYR 12 13.524 1.462 3.959 92 HE2 TYR 12 HE1 TYR 12 11.311 3.756 1.054 93 HH TYR 12 HH TYR 12 12.434 3.430 4.440 94 H PHE 13 H PHE 13 10.935 -1.404 1.624 95 HA PHE 13 HA PHE 13 8.486 -0.945 0.047 96 HB2 PHE 13 HB2 PHE 13 7.367 -1.960 2.117 97 HB3 PHE 13 HB3 PHE 13 8.244 -2.990 0.993 98 HD1 PHE 13 HD2 PHE 13 8.408 -1.388 4.334 99 HD2 PHE 13 HD1 PHE 13 10.234 -4.174 1.614 100 HE1 PHE 13 HE2 PHE 13 9.828 -2.261 6.175 101 HE2 PHE 13 HE1 PHE 13 11.645 -5.046 3.454 102 HZ PHE 13 HZ PHE 13 11.432 -4.094 5.742 103 H VAL 14 H VAL 14 6.780 0.297 0.611 104 HA VAL 14 HA VAL 14 7.071 2.193 2.847 105 HB VAL 14 HB VAL 14 6.616 4.118 1.431 106 HG11 VAL 14 HG11 VAL 14 8.752 4.323 0.276 107 HG12 VAL 14 HG12 VAL 14 8.990 3.490 1.830 108 HG13 VAL 14 HG13 VAL 14 8.981 2.558 0.310 109 HG21 VAL 14 HG21 VAL 14 5.355 3.016 -0.364 110 HG22 VAL 14 HG22 VAL 14 6.695 3.963 -1.035 111 HG23 VAL 14 HG23 VAL 14 6.839 2.193 -0.918 112 H ASP 15 H ASP 15 5.019 3.404 3.205 113 HA ASP 15 HA ASP 15 2.761 1.660 3.056 114 HB2 ASP 15 HB2 ASP 15 2.992 4.602 3.748 115 HB3 ASP 15 HB3 ASP 15 1.511 3.648 3.925 116 H ASP 16 H ASP 16 0.743 1.941 1.952 117 HA ASP 16 HA ASP 16 1.094 2.607 -0.814 118 HB2 ASP 16 HB2 ASP 16 -1.396 1.996 0.821 119 HB3 ASP 16 HB3 ASP 16 -1.367 2.151 -0.941 120 H SER 17 H SER 17 0.494 4.615 1.873 121 HA SER 17 HA SER 17 -1.078 6.602 0.392 122 HB2 SER 17 HB2 SER 17 -0.947 7.860 2.490 123 HB3 SER 17 HB3 SER 17 -1.461 6.183 2.793 124 HG SER 17 HG SER 17 0.186 6.878 4.234 125 H LYS 18 H LYS 18 2.229 5.722 0.634 126 HA LYS 18 HA LYS 18 3.366 8.376 0.572 127 HB2 LYS 18 HB2 LYS 18 4.571 6.433 1.487 128 HB3 LYS 18 HB3 LYS 18 4.472 5.607 -0.074 129 HG2 LYS 18 HG2 LYS 18 6.687 6.562 0.260 130 HG3 LYS 18 HG3 LYS 18 5.884 7.336 -1.112 131 HD2 LYS 18 HD2 LYS 18 5.220 9.236 0.431 132 HD3 LYS 18 HD3 LYS 18 6.141 8.445 1.722 133 HE2 LYS 18 HE2 LYS 18 7.517 10.172 0.681 134 HE3 LYS 18 HE3 LYS 18 8.185 8.579 0.294 135 HZ1 LYS 18 HZ1 LYS 18 6.447 10.188 -1.463 136 HZ2 LYS 18 HZ2 LYS 18 8.072 9.997 -1.648 137 HZ3 LYS 18 HZ3 LYS 18 7.066 8.709 -1.831 138 H VAL 19 H VAL 19 1.836 6.349 -1.774 139 HA VAL 19 HA VAL 19 2.799 8.119 -3.938 140 HB VAL 19 HB VAL 19 2.688 5.107 -4.232 141 HG11 VAL 19 HG11 VAL 19 3.965 5.596 -6.308 142 HG12 VAL 19 HG12 VAL 19 2.365 6.361 -6.319 143 HG13 VAL 19 HG13 VAL 19 3.818 7.339 -5.974 144 HG21 VAL 19 HG21 VAL 19 5.177 5.210 -4.287 145 HG22 VAL 19 HG22 VAL 19 5.098 6.917 -3.806 146 HG23 VAL 19 HG23 VAL 19 4.520 5.642 -2.696 147 H GLY 20 H GLY 20 1.355 8.425 -5.657 148 HA2 GLY 20 HA2 GLY 20 -1.344 7.184 -5.318 149 HA3 GLY 20 HA3 GLY 20 -1.136 8.907 -5.646 150 HA PRO 21 HA PRO 21 -1.446 6.480 -9.647 151 HB2 PRO 21 HB2 PRO 21 -3.690 7.732 -10.635 152 HB3 PRO 21 HB3 PRO 21 -3.753 6.293 -9.567 153 HG2 PRO 21 HG2 PRO 21 -4.119 9.204 -8.836 154 HG3 PRO 21 HG3 PRO 21 -5.055 7.778 -8.279 155 HD2 PRO 21 HD2 PRO 21 -3.026 8.941 -6.810 156 HD3 PRO 21 HD3 PRO 21 -3.403 7.198 -6.715 157 H ASP 22 H ASP 22 -1.581 9.877 -8.658 158 HA ASP 22 HA ASP 22 -0.746 10.898 -11.244 159 HB2 ASP 22 HB2 ASP 22 -0.969 12.119 -8.475 160 HB3 ASP 22 HB3 ASP 22 -0.446 13.014 -9.907 161 H GLY 23 H GLY 23 0.841 9.103 -8.927 162 HA2 GLY 23 HA2 GLY 23 3.067 8.522 -8.836 163 HA3 GLY 23 HA3 GLY 23 3.466 9.798 -9.994 164 H ARG 24 H ARG 24 5.037 9.237 -7.747 165 HA ARG 24 HA ARG 24 5.121 11.854 -6.485 166 HB2 ARG 24 HB2 ARG 24 3.461 10.563 -5.075 167 HB3 ARG 24 HB3 ARG 24 4.734 9.361 -4.779 168 HG2 ARG 24 HG2 ARG 24 4.584 10.908 -2.888 169 HG3 ARG 24 HG3 ARG 24 6.136 11.131 -3.716 170 HD2 ARG 24 HD2 ARG 24 5.238 13.099 -4.906 171 HD3 ARG 24 HD3 ARG 24 3.653 12.849 -4.161 172 HE ARG 24 HE ARG 24 6.092 13.917 -2.879 173 HH11 ARG 24 HH11 ARG 24 2.783 12.745 -2.487 174 HH12 ARG 24 HH12 ARG 24 2.567 13.508 -0.928 175 HH21 ARG 24 HH21 ARG 24 5.788 14.911 -0.853 176 HH22 ARG 24 HH22 ARG 24 4.265 14.739 -0.006 177 H VAL 25 H VAL 25 7.216 12.270 -5.658 178 HA VAL 25 HA VAL 25 9.255 10.490 -6.707 179 HB VAL 25 HB VAL 25 9.326 13.017 -6.730 180 HG11 VAL 25 HG11 VAL 25 10.194 12.613 -3.837 181 HG12 VAL 25 HG12 VAL 25 10.190 14.145 -4.736 182 HG13 VAL 25 HG13 VAL 25 8.652 13.346 -4.354 183 HG21 VAL 25 HG21 VAL 25 11.290 11.577 -7.211 184 HG22 VAL 25 HG22 VAL 25 11.751 13.092 -6.401 185 HG23 VAL 25 HG23 VAL 25 11.700 11.576 -5.478 186 H VAL 26 H VAL 26 10.916 9.421 -5.587 187 HA VAL 26 HA VAL 26 10.484 9.025 -2.683 188 HB VAL 26 HB VAL 26 10.562 6.670 -2.823 189 HG11 VAL 26 HG11 VAL 26 8.618 6.102 -4.190 190 HG12 VAL 26 HG12 VAL 26 8.359 7.665 -3.385 191 HG13 VAL 26 HG13 VAL 26 8.786 7.606 -5.117 192 HG21 VAL 26 HG21 VAL 26 11.123 6.986 -5.798 193 HG22 VAL 26 HG22 VAL 26 12.287 6.437 -4.569 194 HG23 VAL 26 HG23 VAL 26 10.873 5.444 -4.951 195 H ARG 27 H ARG 27 12.368 7.805 -1.678 196 HA ARG 27 HA ARG 27 14.919 8.392 -3.070 197 HB2 ARG 27 HB2 ARG 27 14.441 10.362 -1.714 198 HB3 ARG 27 HB3 ARG 27 14.158 9.345 -0.288 199 HG2 ARG 27 HG2 ARG 27 16.498 8.583 -0.326 200 HG3 ARG 27 HG3 ARG 27 16.790 9.507 -1.819 201 HD2 ARG 27 HD2 ARG 27 17.632 10.742 0.132 202 HD3 ARG 27 HD3 ARG 27 16.285 11.603 -0.631 203 HE ARG 27 HE ARG 27 15.008 11.299 1.288 204 HH11 ARG 27 HH11 ARG 27 17.824 9.159 1.406 205 HH12 ARG 27 HH12 ARG 27 17.536 8.686 3.064 206 HH21 ARG 27 HH21 ARG 27 14.658 10.667 3.441 207 HH22 ARG 27 HH22 ARG 27 15.754 9.551 4.220 208 H CYS 28 H CYS 28 16.605 7.063 -2.567 209 HA CYS 28 HA CYS 28 15.885 4.476 -1.473 210 HB2 CYS 28 HB2 CYS 28 17.359 4.877 -3.459 211 HB3 CYS 28 HB3 CYS 28 18.585 5.561 -2.373 212 H ALA 29 H ALA 29 16.364 3.651 0.505 213 HA ALA 29 HA ALA 29 17.565 5.388 2.529 214 HB1 ALA 29 HB1 ALA 29 16.626 2.495 2.646 215 HB2 ALA 29 HB2 ALA 29 17.041 3.520 4.037 216 HB3 ALA 29 HB3 ALA 29 15.630 3.922 3.034 217 H SER 30 H SER 30 18.814 3.300 0.131 218 HA SER 30 HA SER 30 21.046 2.424 1.892 219 HB2 SER 30 HB2 SER 30 19.842 1.238 -0.628 220 HB3 SER 30 HB3 SER 30 21.385 0.699 0.067 221 HG SER 30 HG SER 30 18.847 0.727 1.342 222 H CYS 31 H CYS 31 20.337 4.476 -0.868 223 HA CYS 31 HA CYS 31 23.217 5.092 -0.937 224 HB2 CYS 31 HB2 CYS 31 23.511 4.809 -3.280 225 HB3 CYS 31 HB3 CYS 31 22.846 3.290 -2.636 226 H GLY 32 H GLY 32 20.032 6.175 -0.903 227 HA2 GLY 32 HA2 GLY 32 19.352 8.362 -0.656 228 HA3 GLY 32 HA3 GLY 32 21.000 8.904 -1.031 229 H ASN 33 H ASN 33 20.004 6.780 -3.461 230 HA ASN 33 HA ASN 33 19.833 8.753 -5.484 231 HB2 ASN 33 HB2 ASN 33 20.373 6.303 -5.737 232 HB3 ASN 33 HB3 ASN 33 18.658 5.946 -5.474 233 HD21 ASN 33 HD22 ASN 33 18.552 4.982 -7.589 234 HD22 ASN 33 HD21 ASN 33 18.466 5.991 -9.021 235 H ARG 34 H ARG 34 17.972 9.418 -6.765 236 HA ARG 34 HA ARG 34 15.365 9.240 -5.349 237 HB2 ARG 34 HB2 ARG 34 16.436 11.279 -4.538 238 HB3 ARG 34 HB3 ARG 34 16.803 11.782 -6.199 239 HG2 ARG 34 HG2 ARG 34 14.392 11.949 -6.707 240 HG3 ARG 34 HG3 ARG 34 14.004 11.391 -5.066 241 HD2 ARG 34 HD2 ARG 34 13.826 13.822 -5.167 242 HD3 ARG 34 HD3 ARG 34 15.177 13.360 -4.128 243 HE ARG 34 HE ARG 34 15.447 14.323 -6.958 244 HH11 ARG 34 HH11 ARG 34 16.697 14.049 -3.656 245 HH12 ARG 34 HH12 ARG 34 18.109 15.026 -3.991 246 HH21 ARG 34 HH21 ARG 34 17.299 15.583 -7.358 247 HH22 ARG 34 HH22 ARG 34 18.443 15.900 -6.074 248 H TRP 35 H TRP 35 13.634 9.067 -6.675 249 HA TRP 35 HA TRP 35 13.711 9.961 -9.445 250 HB2 TRP 35 HB2 TRP 35 13.455 7.799 -10.461 251 HB3 TRP 35 HB3 TRP 35 14.958 7.803 -9.537 252 HD1 TRP 35 HD1 TRP 35 11.644 6.077 -9.853 253 HE1 TRP 35 HE1 TRP 35 11.457 4.118 -8.242 254 HE3 TRP 35 HE3 TRP 35 15.807 6.973 -7.009 255 HZ2 TRP 35 HZ2 TRP 35 12.895 3.082 -5.958 256 HZ3 TRP 35 HZ3 TRP 35 16.350 5.492 -5.112 257 HH2 TRP 35 HH2 TRP 35 14.915 3.540 -4.578 258 H THR 36 H THR 36 11.574 9.609 -10.487 259 HA THR 36 HA THR 36 9.435 9.848 -8.558 260 HB THR 36 HB THR 36 8.934 9.619 -11.497 261 HG1 THR 36 HG1 THR 36 9.528 11.796 -11.656 262 HG21 THR 36 HG21 THR 36 7.028 9.904 -9.976 263 HG22 THR 36 HG22 THR 36 7.811 11.320 -9.232 264 HG23 THR 36 HG23 THR 36 7.275 11.383 -10.927 265 H ALA 37 H ALA 37 7.749 8.521 -8.083 266 HA ALA 37 HA ALA 37 7.807 5.787 -9.276 267 HB1 ALA 37 HB1 ALA 37 7.162 6.574 -6.409 268 HB2 ALA 37 HB2 ALA 37 7.147 4.927 -7.080 269 HB3 ALA 37 HB3 ALA 37 8.680 5.821 -6.951 270 H PHE 38 H PHE 38 5.651 4.676 -9.084 271 HA PHE 38 HA PHE 38 3.361 6.438 -8.731 272 HB2 PHE 38 HB2 PHE 38 2.438 5.706 -11.014 273 HB3 PHE 38 HB3 PHE 38 3.588 7.038 -10.909 274 HD1 PHE 38 HD2 PHE 38 3.161 3.520 -11.943 275 HD2 PHE 38 HD1 PHE 38 5.825 6.892 -11.820 276 HE1 PHE 38 HE2 PHE 38 4.658 2.399 -13.579 277 HE2 PHE 38 HE1 PHE 38 7.328 5.766 -13.436 278 HZ PHE 38 HZ PHE 38 6.745 3.524 -14.321 279 H LYS 39 H LYS 39 1.350 5.453 -8.468 280 HA LYS 39 HA LYS 39 1.577 2.849 -7.247 281 HB2 LYS 39 HB2 LYS 39 0.134 4.559 -6.323 282 HB3 LYS 39 HB3 LYS 39 -0.814 4.642 -7.822 283 HG2 LYS 39 HG2 LYS 39 -1.710 2.458 -7.530 284 HG3 LYS 39 HG3 LYS 39 -0.535 2.054 -6.257 285 HD2 LYS 39 HD2 LYS 39 -2.629 4.248 -5.987 286 HD3 LYS 39 HD3 LYS 39 -2.841 2.579 -5.402 287 HE2 LYS 39 HE2 LYS 39 -0.802 2.808 -4.014 288 HE3 LYS 39 HE3 LYS 39 -0.595 4.471 -4.569 289 HZ1 LYS 39 HZ1 LYS 39 -1.690 4.405 -2.455 290 HZ2 LYS 39 HZ2 LYS 39 -2.719 5.011 -3.584 291 HZ3 LYS 39 HZ3 LYS 39 -2.904 3.466 -3.052 292 H ASP 40 H ASP 40 0.552 0.918 -7.824 293 HA ASP 40 HA ASP 40 -0.758 0.656 -10.428 294 HB2 ASP 40 HB2 ASP 40 1.692 0.706 -10.976 295 HB3 ASP 40 HB3 ASP 40 1.938 -0.676 -9.900 296 H GLU 41 H GLU 41 0.303 -0.508 -7.301 297 HA GLU 41 HA GLU 41 -0.634 -3.216 -7.519 298 HB2 GLU 41 HB2 GLU 41 -0.148 -1.376 -5.151 299 HB3 GLU 41 HB3 GLU 41 -0.537 -3.101 -5.014 300 HG2 GLU 41 HG2 GLU 41 1.473 -3.614 -6.433 301 HG3 GLU 41 HG3 GLU 41 1.878 -1.891 -6.440 302 H ALA 42 H ALA 42 -2.277 -0.178 -7.189 303 HA ALA 42 HA ALA 42 -4.841 -1.524 -6.874 304 HB1 ALA 42 HB1 ALA 42 -3.824 0.390 -4.728 305 HB2 ALA 42 HB2 ALA 42 -5.440 -0.361 -4.783 306 HB3 ALA 42 HB3 ALA 42 -3.996 -1.368 -4.535 307 H GLU 43 H GLU 43 -3.386 0.234 -8.793 308 HA GLU 43 HA GLU 43 -4.535 2.872 -8.636 309 HB2 GLU 43 HB2 GLU 43 -2.437 2.457 -9.760 310 HB3 GLU 43 HB3 GLU 43 -3.189 1.330 -10.895 311 HG2 GLU 43 HG2 GLU 43 -4.202 4.178 -10.684 312 HG3 GLU 43 HG3 GLU 43 -2.709 3.839 -11.564 313 H LEU 44 H LEU 44 -5.754 -0.213 -9.648 314 HA LEU 44 HA LEU 44 -8.309 1.025 -10.347 315 HB2 LEU 44 HB2 LEU 44 -7.174 1.031 -12.514 316 HB3 LEU 44 HB3 LEU 44 -6.717 -0.666 -12.315 317 HG LEU 44 HG LEU 44 -9.137 -1.304 -12.319 318 HD11 LEU 44 HD11 LEU 44 -9.537 1.648 -12.991 319 HD12 LEU 44 HD12 LEU 44 -10.787 0.391 -13.085 320 HD13 LEU 44 HD13 LEU 44 -10.100 0.833 -11.510 321 HD21 LEU 44 HD21 LEU 44 -7.788 -1.325 -14.386 322 HD22 LEU 44 HD22 LEU 44 -9.487 -0.908 -14.718 323 HD23 LEU 44 HD23 LEU 44 -8.249 0.365 -14.701 324 H GLU 45 H GLU 45 -10.057 -0.410 -10.074 325 HA GLU 45 HA GLU 45 -9.552 -3.221 -9.476 326 HB2 GLU 45 HB2 GLU 45 -9.029 -2.241 -7.307 327 HB3 GLU 45 HB3 GLU 45 -10.472 -1.226 -7.370 328 HG2 GLU 45 HG2 GLU 45 -10.858 -3.062 -5.852 329 HG3 GLU 45 HG3 GLU 45 -11.909 -3.244 -7.257 330 H LEU 46 H LEU 46 -11.465 -4.479 -9.523 331 HA LEU 46 HA LEU 46 -13.459 -3.483 -11.301 332 HB2 LEU 46 HB2 LEU 46 -12.795 -5.834 -11.215 333 HB3 LEU 46 HB3 LEU 46 -13.359 -5.957 -9.543 334 HG LEU 46 HG LEU 46 -15.691 -5.464 -10.312 335 HD11 LEU 46 HD11 LEU 46 -14.421 -5.669 -13.081 336 HD12 LEU 46 HD12 LEU 46 -16.168 -5.617 -12.751 337 HD13 LEU 46 HD13 LEU 46 -15.152 -4.207 -12.383 338 HD21 LEU 46 HD21 LEU 46 -14.886 -7.779 -10.046 339 HD22 LEU 46 HD22 LEU 46 -16.039 -7.657 -11.393 340 HD23 LEU 46 HD23 LEU 46 -14.296 -7.778 -11.726 341 H VAL 47 H VAL 47 -15.592 -2.850 -10.978 342 HA VAL 47 HA VAL 47 -16.160 -1.496 -8.543 343 HB VAL 47 HB VAL 47 -18.049 -2.286 -10.793 344 HG11 VAL 47 HG11 VAL 47 -18.188 -0.052 -8.725 345 HG12 VAL 47 HG12 VAL 47 -19.328 -0.309 -10.066 346 HG13 VAL 47 HG13 VAL 47 -19.217 -1.504 -8.757 347 HG21 VAL 47 HG21 VAL 47 -16.097 -1.071 -11.655 348 HG22 VAL 47 HG22 VAL 47 -17.531 -0.028 -11.682 349 HG23 VAL 47 HG23 VAL 47 -16.303 0.184 -10.410 350 HA PRO 48 HA PRO 48 -17.732 -4.788 -6.021 351 HB2 PRO 48 HB2 PRO 48 -19.564 -2.683 -4.932 352 HB3 PRO 48 HB3 PRO 48 -18.470 -3.798 -4.051 353 HG2 PRO 48 HG2 PRO 48 -17.830 -1.168 -4.392 354 HG3 PRO 48 HG3 PRO 48 -16.584 -2.454 -4.501 355 HD2 PRO 48 HD2 PRO 48 -17.977 -0.981 -6.735 356 HD3 PRO 48 HD3 PRO 48 -16.266 -1.495 -6.597 357 H ARG 49 H ARG 49 -19.654 -6.054 -5.697 358 HA ARG 49 HA ARG 49 -21.473 -6.043 -7.930 359 HB2 ARG 49 HB2 ARG 49 -22.498 -7.954 -6.790 360 HB3 ARG 49 HB3 ARG 49 -20.734 -8.108 -6.825 361 HG2 ARG 49 HG2 ARG 49 -20.613 -7.283 -4.488 362 HG3 ARG 49 HG3 ARG 49 -22.386 -7.131 -4.451 363 HD2 ARG 49 HD2 ARG 49 -22.600 -9.560 -4.910 364 HD3 ARG 49 HD3 ARG 49 -20.835 -9.704 -4.938 365 HE ARG 49 HE ARG 49 -20.757 -9.484 -2.608 366 HH11 ARG 49 HH11 ARG 49 -24.047 -9.003 -3.810 367 HH12 ARG 49 HH12 ARG 49 -24.769 -9.104 -2.220 368 HH21 ARG 49 HH21 ARG 49 -21.717 -9.623 -0.551 369 HH22 ARG 49 HH22 ARG 49 -23.448 -9.464 -0.377 Start of MODEL 8 1 H1 MET 1 H1 MET 1 3.493 -0.331 -0.217 2 H2 MET 1 H2 MET 1 3.260 -1.961 -0.232 3 H3 MET 1 H3 MET 1 2.105 -0.951 -0.842 4 HA MET 1 HA MET 1 3.338 -2.062 -2.579 5 HB2 MET 1 HB2 MET 1 3.792 -0.066 -3.910 6 HB3 MET 1 HB3 MET 1 2.302 0.149 -2.976 7 HG2 MET 1 HG2 MET 1 3.708 1.344 -1.219 8 HG3 MET 1 HG3 MET 1 5.043 1.306 -2.377 9 HE1 MET 1 HE1 MET 1 3.501 1.786 -5.166 10 HE2 MET 1 HE2 MET 1 3.694 3.548 -5.295 11 HE3 MET 1 HE3 MET 1 5.038 2.549 -4.692 12 H ILE 2 H ILE 2 5.453 -1.757 -3.904 13 HA ILE 2 HA ILE 2 7.778 -1.391 -2.102 14 HB ILE 2 HB ILE 2 6.852 -3.854 -2.363 15 HG12 ILE 2 HG12 ILE 2 9.818 -3.392 -2.826 16 HG13 ILE 2 HG13 ILE 2 9.009 -2.973 -1.301 17 HG21 ILE 2 HG21 ILE 2 8.614 -3.617 -4.837 18 HG22 ILE 2 HG22 ILE 2 7.821 -5.088 -4.231 19 HG23 ILE 2 HG23 ILE 2 6.839 -3.766 -4.880 20 HD11 ILE 2 HD11 ILE 2 8.215 -5.289 -1.049 21 HD12 ILE 2 HD12 ILE 2 9.053 -5.748 -2.558 22 HD13 ILE 2 HD13 ILE 2 9.987 -5.213 -1.144 23 H LEU 3 H LEU 3 9.711 -0.866 -3.164 24 HA LEU 3 HA LEU 3 9.483 -0.219 -6.062 25 HB2 LEU 3 HB2 LEU 3 10.513 1.584 -3.836 26 HB3 LEU 3 HB3 LEU 3 10.619 1.952 -5.570 27 HG LEU 3 HG LEU 3 7.983 1.461 -4.103 28 HD11 LEU 3 HD11 LEU 3 9.145 3.438 -3.196 29 HD12 LEU 3 HD12 LEU 3 9.348 4.075 -4.846 30 HD13 LEU 3 HD13 LEU 3 7.715 3.903 -4.146 31 HD21 LEU 3 HD21 LEU 3 7.039 2.593 -6.093 32 HD22 LEU 3 HD22 LEU 3 8.663 2.702 -6.807 33 HD23 LEU 3 HD23 LEU 3 7.908 1.111 -6.550 34 H THR 4 H THR 4 11.446 -0.243 -7.217 35 HA THR 4 HA THR 4 13.690 -1.514 -5.743 36 HB THR 4 HB THR 4 13.334 -1.723 -8.715 37 HG1 THR 4 HG1 THR 4 11.446 -2.511 -7.812 38 HG21 THR 4 HG21 THR 4 14.626 -3.792 -8.359 39 HG22 THR 4 HG22 THR 4 15.506 -2.382 -7.735 40 HG23 THR 4 HG23 THR 4 14.663 -3.471 -6.608 41 H CYS 5 H CYS 5 15.687 -0.658 -5.707 42 HA CYS 5 HA CYS 5 15.970 2.067 -6.622 43 HB2 CYS 5 HB2 CYS 5 16.928 1.287 -4.506 44 HB3 CYS 5 HB3 CYS 5 17.952 0.127 -5.382 45 HA PRO 6 HA PRO 6 17.684 1.041 -10.636 46 HB2 PRO 6 HB2 PRO 6 18.870 3.777 -10.470 47 HB3 PRO 6 HB3 PRO 6 17.796 3.085 -11.728 48 HG2 PRO 6 HG2 PRO 6 16.901 4.924 -9.893 49 HG3 PRO 6 HG3 PRO 6 15.865 3.576 -10.481 50 HD2 PRO 6 HD2 PRO 6 17.396 3.788 -7.886 51 HD3 PRO 6 HD3 PRO 6 15.755 3.142 -8.202 52 H GLU 7 H GLU 7 19.433 2.015 -7.782 53 HA GLU 7 HA GLU 7 22.033 1.385 -9.115 54 HB2 GLU 7 HB2 GLU 7 21.454 3.018 -6.616 55 HB3 GLU 7 HB3 GLU 7 23.053 2.750 -7.325 56 HG2 GLU 7 HG2 GLU 7 20.719 4.153 -8.708 57 HG3 GLU 7 HG3 GLU 7 22.069 4.967 -7.916 58 H CYS 8 H CYS 8 20.133 0.866 -6.088 59 HA CYS 8 HA CYS 8 22.120 -1.036 -5.116 60 HB2 CYS 8 HB2 CYS 8 19.314 -0.412 -4.097 61 HB3 CYS 8 HB3 CYS 8 20.531 -1.398 -3.270 62 H ALA 9 H ALA 9 19.424 -1.122 -7.255 63 HA ALA 9 HA ALA 9 18.253 -2.781 -8.258 64 HB1 ALA 9 HB1 ALA 9 20.804 -4.373 -7.759 65 HB2 ALA 9 HB2 ALA 9 19.551 -4.730 -8.971 66 HB3 ALA 9 HB3 ALA 9 20.523 -3.254 -9.114 67 H SER 10 H SER 10 17.660 -2.454 -5.529 68 HA SER 10 HA SER 10 16.891 -5.214 -4.755 69 HB2 SER 10 HB2 SER 10 18.998 -4.542 -3.585 70 HB3 SER 10 HB3 SER 10 18.140 -3.158 -2.892 71 HG SER 10 HG SER 10 18.120 -4.973 -1.494 72 H ARG 11 H ARG 11 15.043 -5.308 -3.383 73 HA ARG 11 HA ARG 11 13.166 -3.147 -4.009 74 HB2 ARG 11 HB2 ARG 11 12.778 -5.860 -2.688 75 HB3 ARG 11 HB3 ARG 11 11.479 -4.725 -3.117 76 HG2 ARG 11 HG2 ARG 11 12.268 -4.799 -5.502 77 HG3 ARG 11 HG3 ARG 11 13.421 -6.069 -5.038 78 HD2 ARG 11 HD2 ARG 11 11.542 -7.453 -4.204 79 HD3 ARG 11 HD3 ARG 11 10.398 -6.193 -4.707 80 HE ARG 11 HE ARG 11 11.823 -8.107 -6.419 81 HH11 ARG 11 HH11 ARG 11 10.021 -5.069 -6.281 82 HH12 ARG 11 HH12 ARG 11 9.543 -5.139 -7.963 83 HH21 ARG 11 HH21 ARG 11 11.204 -8.160 -8.615 84 HH22 ARG 11 HH22 ARG 11 10.212 -6.884 -9.280 85 H TYR 12 H TYR 12 11.851 -2.077 -2.499 86 HA TYR 12 HA TYR 12 12.296 -2.458 0.340 87 HB2 TYR 12 HB2 TYR 12 14.105 -1.004 0.030 88 HB3 TYR 12 HB3 TYR 12 13.200 0.034 -1.080 89 HD1 TYR 12 HD2 TYR 12 13.592 -0.930 2.468 90 HD2 TYR 12 HD1 TYR 12 11.767 1.790 -0.316 91 HE1 TYR 12 HE2 TYR 12 12.971 0.581 4.355 92 HE2 TYR 12 HE1 TYR 12 11.178 3.315 1.544 93 HH TYR 12 HH TYR 12 11.240 3.671 3.813 94 H PHE 13 H PHE 13 10.563 -1.864 1.608 95 HA PHE 13 HA PHE 13 8.221 -1.145 -0.043 96 HB2 PHE 13 HB2 PHE 13 6.931 -2.400 1.775 97 HB3 PHE 13 HB3 PHE 13 7.856 -3.298 0.576 98 HD1 PHE 13 HD1 PHE 13 7.779 -2.220 4.120 99 HD2 PHE 13 HD2 PHE 13 9.773 -4.622 1.159 100 HE1 PHE 13 HE1 PHE 13 9.039 -3.394 5.914 101 HE2 PHE 13 HE2 PHE 13 11.020 -5.797 2.951 102 HZ PHE 13 HZ PHE 13 10.662 -5.176 5.329 103 H VAL 14 H VAL 14 6.516 0.073 0.613 104 HA VAL 14 HA VAL 14 6.726 1.609 3.109 105 HB VAL 14 HB VAL 14 6.497 3.749 1.974 106 HG11 VAL 14 HG11 VAL 14 8.783 2.932 2.491 107 HG12 VAL 14 HG12 VAL 14 8.899 2.269 0.840 108 HG13 VAL 14 HG13 VAL 14 8.735 4.024 1.097 109 HG21 VAL 14 HG21 VAL 14 5.374 2.990 -0.086 110 HG22 VAL 14 HG22 VAL 14 6.812 3.956 -0.466 111 HG23 VAL 14 HG23 VAL 14 6.868 2.181 -0.613 112 H ASP 15 H ASP 15 4.722 2.948 3.432 113 HA ASP 15 HA ASP 15 2.378 1.401 2.956 114 HB2 ASP 15 HB2 ASP 15 2.749 2.937 4.879 115 HB3 ASP 15 HB3 ASP 15 2.686 4.316 3.774 116 H ASP 16 H ASP 16 0.542 1.883 1.609 117 HA ASP 16 HA ASP 16 1.247 2.699 -1.033 118 HB2 ASP 16 HB2 ASP 16 -1.445 2.212 0.280 119 HB3 ASP 16 HB3 ASP 16 -1.213 2.491 -1.454 120 H SER 17 H SER 17 0.356 4.600 1.703 121 HA SER 17 HA SER 17 -0.962 6.727 0.260 122 HB2 SER 17 HB2 SER 17 -1.324 6.305 2.656 123 HB3 SER 17 HB3 SER 17 0.389 6.650 2.983 124 HG SER 17 HG SER 17 -1.566 8.430 1.958 125 H LYS 18 H LYS 18 2.316 5.717 0.461 126 HA LYS 18 HA LYS 18 3.568 8.319 0.411 127 HB2 LYS 18 HB2 LYS 18 4.538 5.523 -0.271 128 HB3 LYS 18 HB3 LYS 18 5.584 6.959 -0.246 129 HG2 LYS 18 HG2 LYS 18 3.936 6.071 2.153 130 HG3 LYS 18 HG3 LYS 18 5.625 5.594 1.864 131 HD2 LYS 18 HD2 LYS 18 6.212 8.042 1.668 132 HD3 LYS 18 HD3 LYS 18 4.574 8.426 2.242 133 HE2 LYS 18 HE2 LYS 18 6.560 6.647 3.717 134 HE3 LYS 18 HE3 LYS 18 6.357 8.373 4.030 135 HZ1 LYS 18 HZ1 LYS 18 5.057 7.027 5.544 136 HZ2 LYS 18 HZ2 LYS 18 4.064 7.940 4.602 137 HZ3 LYS 18 HZ3 LYS 18 4.242 6.333 4.300 138 H VAL 19 H VAL 19 1.822 6.568 -1.969 139 HA VAL 19 HA VAL 19 2.946 8.311 -4.080 140 HB VAL 19 HB VAL 19 2.616 5.307 -4.398 141 HG11 VAL 19 HG11 VAL 19 3.746 5.725 -6.577 142 HG12 VAL 19 HG12 VAL 19 2.183 6.556 -6.472 143 HG13 VAL 19 HG13 VAL 19 3.696 7.471 -6.254 144 HG21 VAL 19 HG21 VAL 19 4.580 5.767 -3.022 145 HG22 VAL 19 HG22 VAL 19 5.091 5.301 -4.660 146 HG23 VAL 19 HG23 VAL 19 5.132 7.008 -4.178 147 H GLY 20 H GLY 20 1.408 9.152 -5.393 148 HA2 GLY 20 HA2 GLY 20 -1.391 8.266 -4.965 149 HA3 GLY 20 HA3 GLY 20 -0.870 9.791 -5.685 150 HA PRO 21 HA PRO 21 -2.013 6.715 -9.035 151 HB2 PRO 21 HB2 PRO 21 -4.071 8.153 -10.158 152 HB3 PRO 21 HB3 PRO 21 -4.295 7.018 -8.789 153 HG2 PRO 21 HG2 PRO 21 -4.043 10.031 -8.709 154 HG3 PRO 21 HG3 PRO 21 -5.165 8.979 -7.789 155 HD2 PRO 21 HD2 PRO 21 -2.819 9.984 -6.741 156 HD3 PRO 21 HD3 PRO 21 -3.515 8.422 -6.227 157 H ASP 22 H ASP 22 -1.145 10.057 -8.699 158 HA ASP 22 HA ASP 22 -0.383 10.265 -11.542 159 HB2 ASP 22 HB2 ASP 22 0.082 12.670 -10.936 160 HB3 ASP 22 HB3 ASP 22 -1.606 12.144 -10.875 161 H GLY 23 H GLY 23 0.962 8.966 -8.879 162 HA2 GLY 23 HA2 GLY 23 3.142 8.228 -8.612 163 HA3 GLY 23 HA3 GLY 23 3.680 9.300 -9.910 164 H ARG 24 H ARG 24 5.144 9.008 -7.559 165 HA ARG 24 HA ARG 24 5.205 11.754 -6.551 166 HB2 ARG 24 HB2 ARG 24 3.488 10.254 -5.213 167 HB3 ARG 24 HB3 ARG 24 4.936 9.559 -4.484 168 HG2 ARG 24 HG2 ARG 24 4.328 12.551 -4.538 169 HG3 ARG 24 HG3 ARG 24 3.821 11.465 -3.229 170 HD2 ARG 24 HD2 ARG 24 6.241 10.811 -2.931 171 HD3 ARG 24 HD3 ARG 24 6.670 12.126 -4.051 172 HE ARG 24 HE ARG 24 5.051 13.330 -2.157 173 HH11 ARG 24 HH11 ARG 24 8.063 11.483 -2.111 174 HH12 ARG 24 HH12 ARG 24 8.658 12.263 -0.663 175 HH21 ARG 24 HH21 ARG 24 5.846 14.332 -0.273 176 HH22 ARG 24 HH22 ARG 24 7.406 13.877 0.371 177 H VAL 25 H VAL 25 7.306 12.276 -5.977 178 HA VAL 25 HA VAL 25 9.378 10.432 -6.683 179 HB VAL 25 HB VAL 25 9.462 12.928 -6.918 180 HG11 VAL 25 HG11 VAL 25 10.048 12.828 -3.928 181 HG12 VAL 25 HG12 VAL 25 10.126 14.263 -4.971 182 HG13 VAL 25 HG13 VAL 25 8.559 13.470 -4.660 183 HG21 VAL 25 HG21 VAL 25 11.737 11.696 -5.313 184 HG22 VAL 25 HG22 VAL 25 11.490 11.496 -7.062 185 HG23 VAL 25 HG23 VAL 25 11.840 13.105 -6.386 186 H VAL 26 H VAL 26 11.004 9.471 -5.440 187 HA VAL 26 HA VAL 26 10.565 9.324 -2.517 188 HB VAL 26 HB VAL 26 10.673 6.938 -2.474 189 HG11 VAL 26 HG11 VAL 26 8.760 7.705 -4.719 190 HG12 VAL 26 HG12 VAL 26 8.650 6.282 -3.666 191 HG13 VAL 26 HG13 VAL 26 8.430 7.908 -2.982 192 HG21 VAL 26 HG21 VAL 26 12.287 6.608 -4.322 193 HG22 VAL 26 HG22 VAL 26 10.865 5.567 -4.500 194 HG23 VAL 26 HG23 VAL 26 11.020 7.033 -5.497 195 H ARG 27 H ARG 27 12.477 8.009 -1.512 196 HA ARG 27 HA ARG 27 14.987 8.564 -2.994 197 HB2 ARG 27 HB2 ARG 27 15.983 9.602 -1.021 198 HB3 ARG 27 HB3 ARG 27 14.556 10.515 -1.548 199 HG2 ARG 27 HG2 ARG 27 13.195 9.406 0.207 200 HG3 ARG 27 HG3 ARG 27 14.629 8.499 0.740 201 HD2 ARG 27 HD2 ARG 27 15.799 10.644 1.200 202 HD3 ARG 27 HD3 ARG 27 14.354 11.530 0.698 203 HE ARG 27 HE ARG 27 13.257 10.916 2.684 204 HH11 ARG 27 HH11 ARG 27 16.406 9.330 2.435 205 HH12 ARG 27 HH12 ARG 27 16.416 8.829 4.111 206 HH21 ARG 27 HH21 ARG 27 13.300 10.257 4.869 207 HH22 ARG 27 HH22 ARG 27 14.670 9.363 5.486 208 H CYS 28 H CYS 28 16.733 7.274 -2.436 209 HA CYS 28 HA CYS 28 15.988 4.656 -1.406 210 HB2 CYS 28 HB2 CYS 28 17.407 5.060 -3.438 211 HB3 CYS 28 HB3 CYS 28 18.675 5.713 -2.382 212 H ALA 29 H ALA 29 16.574 3.746 0.505 213 HA ALA 29 HA ALA 29 17.751 5.454 2.565 214 HB1 ALA 29 HB1 ALA 29 16.872 2.539 2.570 215 HB2 ALA 29 HB2 ALA 29 17.312 3.493 4.006 216 HB3 ALA 29 HB3 ALA 29 15.872 3.933 3.059 217 H SER 30 H SER 30 19.025 3.490 0.085 218 HA SER 30 HA SER 30 21.305 2.616 1.788 219 HB2 SER 30 HB2 SER 30 20.021 1.398 -0.663 220 HB3 SER 30 HB3 SER 30 21.593 0.871 -0.021 221 HG SER 30 HG SER 30 20.609 0.337 1.897 222 H CYS 31 H CYS 31 20.477 4.656 -0.925 223 HA CYS 31 HA CYS 31 23.342 5.301 -1.108 224 HB2 CYS 31 HB2 CYS 31 23.549 5.001 -3.469 225 HB3 CYS 31 HB3 CYS 31 22.927 3.482 -2.779 226 H GLY 32 H GLY 32 20.133 6.348 -1.017 227 HA2 GLY 32 HA2 GLY 32 19.437 8.529 -0.762 228 HA3 GLY 32 HA3 GLY 32 21.063 9.089 -1.189 229 H ASN 33 H ASN 33 20.081 6.934 -3.580 230 HA ASN 33 HA ASN 33 19.758 8.910 -5.594 231 HB2 ASN 33 HB2 ASN 33 20.486 6.509 -5.878 232 HB3 ASN 33 HB3 ASN 33 18.810 6.021 -5.599 233 HD21 ASN 33 HD22 ASN 33 18.639 5.104 -7.694 234 HD22 ASN 33 HD21 ASN 33 18.511 6.101 -9.127 235 H ARG 34 H ARG 34 17.826 9.445 -6.830 236 HA ARG 34 HA ARG 34 15.270 8.997 -5.379 237 HB2 ARG 34 HB2 ARG 34 16.278 11.691 -6.363 238 HB3 ARG 34 HB3 ARG 34 14.686 11.365 -5.647 239 HG2 ARG 34 HG2 ARG 34 15.802 10.607 -3.553 240 HG3 ARG 34 HG3 ARG 34 17.385 10.996 -4.259 241 HD2 ARG 34 HD2 ARG 34 15.113 12.977 -3.808 242 HD3 ARG 34 HD3 ARG 34 16.542 12.806 -2.777 243 HE ARG 34 HE ARG 34 16.372 14.168 -5.341 244 HH11 ARG 34 HH11 ARG 34 18.550 12.451 -3.142 245 HH12 ARG 34 HH12 ARG 34 19.979 13.261 -3.740 246 HH21 ARG 34 HH21 ARG 34 18.256 15.205 -6.099 247 HH22 ARG 34 HH22 ARG 34 19.815 14.810 -5.418 248 H TRP 35 H TRP 35 13.441 8.949 -6.643 249 HA TRP 35 HA TRP 35 13.486 9.663 -9.466 250 HB2 TRP 35 HB2 TRP 35 13.025 7.433 -10.308 251 HB3 TRP 35 HB3 TRP 35 14.606 7.466 -9.527 252 HD1 TRP 35 HD1 TRP 35 11.162 5.932 -9.259 253 HE1 TRP 35 HE1 TRP 35 11.122 4.093 -7.495 254 HE3 TRP 35 HE3 TRP 35 15.800 6.666 -7.226 255 HZ2 TRP 35 HZ2 TRP 35 12.850 3.097 -5.413 256 HZ3 TRP 35 HZ3 TRP 35 16.561 5.262 -5.333 257 HH2 TRP 35 HH2 TRP 35 15.098 3.488 -4.414 258 H THR 36 H THR 36 11.313 9.376 -10.435 259 HA THR 36 HA THR 36 9.218 9.735 -8.472 260 HB THR 36 HB THR 36 8.823 9.424 -11.443 261 HG1 THR 36 HG1 THR 36 9.231 11.636 -11.556 262 HG21 THR 36 HG21 THR 36 7.383 10.993 -9.262 263 HG22 THR 36 HG22 THR 36 6.967 11.013 -10.993 264 HG23 THR 36 HG23 THR 36 6.796 9.514 -10.058 265 H ALA 37 H ALA 37 8.080 8.202 -7.484 266 HA ALA 37 HA ALA 37 8.024 5.487 -8.622 267 HB1 ALA 37 HB1 ALA 37 6.920 6.629 -6.026 268 HB2 ALA 37 HB2 ALA 37 6.974 4.909 -6.469 269 HB3 ALA 37 HB3 ALA 37 8.489 5.804 -6.214 270 H PHE 38 H PHE 38 5.921 4.327 -8.745 271 HA PHE 38 HA PHE 38 3.633 6.092 -9.297 272 HB2 PHE 38 HB2 PHE 38 4.980 4.270 -11.259 273 HB3 PHE 38 HB3 PHE 38 3.267 4.656 -11.394 274 HD1 PHE 38 HD2 PHE 38 2.493 6.918 -11.918 275 HD2 PHE 38 HD1 PHE 38 6.690 6.007 -11.648 276 HE1 PHE 38 HE2 PHE 38 3.034 9.064 -13.037 277 HE2 PHE 38 HE1 PHE 38 7.224 8.151 -12.778 278 HZ PHE 38 HZ PHE 38 5.396 9.680 -13.465 279 H LYS 39 H LYS 39 1.647 4.719 -9.972 280 HA LYS 39 HA LYS 39 1.456 2.384 -8.137 281 HB2 LYS 39 HB2 LYS 39 0.685 4.274 -6.878 282 HB3 LYS 39 HB3 LYS 39 -0.322 4.848 -8.224 283 HG2 LYS 39 HG2 LYS 39 -1.805 2.959 -8.040 284 HG3 LYS 39 HG3 LYS 39 -0.721 2.145 -6.889 285 HD2 LYS 39 HD2 LYS 39 -2.094 4.809 -6.361 286 HD3 LYS 39 HD3 LYS 39 -2.707 3.229 -5.815 287 HE2 LYS 39 HE2 LYS 39 -0.519 2.851 -4.639 288 HE3 LYS 39 HE3 LYS 39 -0.029 4.494 -5.076 289 HZ1 LYS 39 HZ1 LYS 39 -2.363 3.793 -3.430 290 HZ2 LYS 39 HZ2 LYS 39 -0.953 4.447 -2.888 291 HZ3 LYS 39 HZ3 LYS 39 -1.928 5.321 -3.867 292 H ASP 40 H ASP 40 -0.242 0.926 -8.634 293 HA ASP 40 HA ASP 40 -1.685 1.286 -11.189 294 HB2 ASP 40 HB2 ASP 40 0.552 0.290 -11.738 295 HB3 ASP 40 HB3 ASP 40 0.201 -1.046 -10.635 296 H GLU 41 H GLU 41 -1.311 0.004 -8.001 297 HA GLU 41 HA GLU 41 -3.243 -2.116 -8.127 298 HB2 GLU 41 HB2 GLU 41 -2.171 -0.435 -5.817 299 HB3 GLU 41 HB3 GLU 41 -3.192 -1.866 -5.640 300 HG2 GLU 41 HG2 GLU 41 -1.053 -2.749 -5.357 301 HG3 GLU 41 HG3 GLU 41 -1.383 -3.097 -7.054 302 H ALA 42 H ALA 42 -3.507 1.353 -8.029 303 HA ALA 42 HA ALA 42 -6.404 1.202 -7.883 304 HB1 ALA 42 HB1 ALA 42 -4.857 2.581 -5.645 305 HB2 ALA 42 HB2 ALA 42 -6.624 2.552 -5.847 306 HB3 ALA 42 HB3 ALA 42 -5.742 1.049 -5.486 307 H GLU 43 H GLU 43 -4.466 2.093 -9.830 308 HA GLU 43 HA GLU 43 -4.000 4.893 -9.766 309 HB2 GLU 43 HB2 GLU 43 -2.806 3.331 -11.222 310 HB3 GLU 43 HB3 GLU 43 -4.307 2.965 -12.098 311 HG2 GLU 43 HG2 GLU 43 -4.459 5.290 -12.872 312 HG3 GLU 43 HG3 GLU 43 -3.021 5.722 -11.928 313 H LEU 44 H LEU 44 -6.908 3.064 -10.357 314 HA LEU 44 HA LEU 44 -8.268 5.057 -11.954 315 HB2 LEU 44 HB2 LEU 44 -9.340 2.755 -10.276 316 HB3 LEU 44 HB3 LEU 44 -10.257 3.661 -11.493 317 HG LEU 44 HG LEU 44 -7.760 1.995 -12.040 318 HD11 LEU 44 HD11 LEU 44 -10.699 1.511 -12.671 319 HD12 LEU 44 HD12 LEU 44 -9.340 0.480 -13.174 320 HD13 LEU 44 HD13 LEU 44 -9.737 0.646 -11.450 321 HD21 LEU 44 HD21 LEU 44 -7.967 3.871 -13.633 322 HD22 LEU 44 HD22 LEU 44 -8.402 2.350 -14.433 323 HD23 LEU 44 HD23 LEU 44 -9.676 3.469 -13.907 324 H GLU 45 H GLU 45 -7.266 5.122 -8.759 325 HA GLU 45 HA GLU 45 -7.779 6.378 -6.959 326 HB2 GLU 45 HB2 GLU 45 -7.504 8.075 -8.852 327 HB3 GLU 45 HB3 GLU 45 -9.273 8.229 -8.835 328 HG2 GLU 45 HG2 GLU 45 -9.165 8.848 -6.413 329 HG3 GLU 45 HG3 GLU 45 -7.404 8.675 -6.466 330 H LEU 46 H LEU 46 -9.652 4.215 -7.682 331 HA LEU 46 HA LEU 46 -12.307 5.156 -6.937 332 HB2 LEU 46 HB2 LEU 46 -11.134 2.354 -7.179 333 HB3 LEU 46 HB3 LEU 46 -12.851 2.725 -6.944 334 HG LEU 46 HG LEU 46 -11.191 3.676 -9.317 335 HD11 LEU 46 HD11 LEU 46 -13.240 1.431 -9.106 336 HD12 LEU 46 HD12 LEU 46 -12.435 1.980 -10.596 337 HD13 LEU 46 HD13 LEU 46 -11.487 1.218 -9.300 338 HD21 LEU 46 HD21 LEU 46 -13.105 5.151 -8.834 339 HD22 LEU 46 HD22 LEU 46 -13.418 4.195 -10.294 340 HD23 LEU 46 HD23 LEU 46 -14.186 3.739 -8.756 341 H VAL 47 H VAL 47 -9.594 5.045 -5.132 342 HA VAL 47 HA VAL 47 -10.348 3.511 -2.863 343 HB VAL 47 HB VAL 47 -8.504 4.554 -1.747 344 HG11 VAL 47 HG11 VAL 47 -7.837 4.431 -4.720 345 HG12 VAL 47 HG12 VAL 47 -6.710 4.229 -3.362 346 HG13 VAL 47 HG13 VAL 47 -7.975 3.015 -3.649 347 HG21 VAL 47 HG21 VAL 47 -9.020 6.921 -2.228 348 HG22 VAL 47 HG22 VAL 47 -7.350 6.536 -2.678 349 HG23 VAL 47 HG23 VAL 47 -8.596 6.671 -3.941 350 HA PRO 48 HA PRO 48 -13.304 5.853 -0.686 351 HB2 PRO 48 HB2 PRO 48 -11.598 5.702 1.771 352 HB3 PRO 48 HB3 PRO 48 -13.293 5.169 1.535 353 HG2 PRO 48 HG2 PRO 48 -11.236 3.377 1.657 354 HG3 PRO 48 HG3 PRO 48 -12.612 3.144 0.526 355 HD2 PRO 48 HD2 PRO 48 -9.851 4.211 -0.054 356 HD3 PRO 48 HD3 PRO 48 -10.869 3.092 -1.019 357 H ARG 49 H ARG 49 -13.761 7.908 0.348 358 HA ARG 49 HA ARG 49 -11.562 9.790 0.803 359 HB2 ARG 49 HB2 ARG 49 -11.824 9.937 -1.636 360 HB3 ARG 49 HB3 ARG 49 -13.572 10.174 -1.454 361 HG2 ARG 49 HG2 ARG 49 -13.190 12.286 -0.248 362 HG3 ARG 49 HG3 ARG 49 -11.430 12.038 -0.342 363 HD2 ARG 49 HD2 ARG 49 -11.565 12.071 -2.816 364 HD3 ARG 49 HD3 ARG 49 -13.313 12.323 -2.724 365 HE ARG 49 HE ARG 49 -11.188 14.287 -2.105 366 HH11 ARG 49 HH11 ARG 49 -14.634 13.505 -2.124 367 HH12 ARG 49 HH12 ARG 49 -15.134 15.178 -2.002 368 HH21 ARG 49 HH21 ARG 49 -11.870 16.460 -1.947 369 HH22 ARG 49 HH22 ARG 49 -13.574 16.841 -1.899 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.907 -1.285 -0.626 2 H2 MET 1 H2 MET 1 3.253 -0.523 -0.069 3 H3 MET 1 H3 MET 1 3.136 -2.159 0.040 4 HA MET 1 HA MET 1 3.204 -2.429 -2.298 5 HB2 MET 1 HB2 MET 1 3.521 -0.496 -3.772 6 HB3 MET 1 HB3 MET 1 2.023 -0.332 -2.836 7 HG2 MET 1 HG2 MET 1 3.391 1.059 -1.171 8 HG3 MET 1 HG3 MET 1 4.663 1.100 -2.401 9 HE1 MET 1 HE1 MET 1 4.366 2.230 -4.802 10 HE2 MET 1 HE2 MET 1 2.911 1.246 -5.106 11 HE3 MET 1 HE3 MET 1 2.865 3.007 -5.352 12 H ILE 2 H ILE 2 5.301 -1.946 -3.697 13 HA ILE 2 HA ILE 2 7.577 -1.470 -1.861 14 HB ILE 2 HB ILE 2 6.770 -3.978 -2.194 15 HG12 ILE 2 HG12 ILE 2 9.721 -3.377 -2.469 16 HG13 ILE 2 HG13 ILE 2 8.802 -2.969 -0.999 17 HG21 ILE 2 HG21 ILE 2 8.665 -3.605 -4.558 18 HG22 ILE 2 HG22 ILE 2 7.924 -5.128 -4.012 19 HG23 ILE 2 HG23 ILE 2 6.911 -3.848 -4.710 20 HD11 ILE 2 HD11 ILE 2 9.874 -5.167 -0.769 21 HD12 ILE 2 HD12 ILE 2 8.103 -5.295 -0.728 22 HD13 ILE 2 HD13 ILE 2 8.998 -5.761 -2.201 23 H LEU 3 H LEU 3 9.539 -0.925 -2.915 24 HA LEU 3 HA LEU 3 9.296 -0.175 -5.786 25 HB2 LEU 3 HB2 LEU 3 10.265 1.564 -3.480 26 HB3 LEU 3 HB3 LEU 3 10.444 1.977 -5.192 27 HG LEU 3 HG LEU 3 7.751 1.456 -3.853 28 HD11 LEU 3 HD11 LEU 3 7.500 3.910 -3.892 29 HD12 LEU 3 HD12 LEU 3 8.872 3.425 -2.866 30 HD13 LEU 3 HD13 LEU 3 9.167 4.074 -4.497 31 HD21 LEU 3 HD21 LEU 3 7.767 1.134 -6.302 32 HD22 LEU 3 HD22 LEU 3 6.895 2.620 -5.876 33 HD23 LEU 3 HD23 LEU 3 8.554 2.718 -6.514 34 H THR 4 H THR 4 11.280 -0.114 -6.931 35 HA THR 4 HA THR 4 13.516 -1.419 -5.485 36 HB THR 4 HB THR 4 13.158 -1.691 -8.453 37 HG1 THR 4 HG1 THR 4 11.235 -2.401 -7.586 38 HG21 THR 4 HG21 THR 4 14.395 -3.789 -8.040 39 HG22 THR 4 HG22 THR 4 15.295 -2.394 -7.420 40 HG23 THR 4 HG23 THR 4 14.401 -3.446 -6.297 41 H CYS 5 H CYS 5 15.557 -0.644 -5.578 42 HA CYS 5 HA CYS 5 15.871 2.079 -6.526 43 HB2 CYS 5 HB2 CYS 5 16.936 1.288 -4.461 44 HB3 CYS 5 HB3 CYS 5 17.863 0.088 -5.394 45 HA PRO 6 HA PRO 6 17.318 0.972 -10.621 46 HB2 PRO 6 HB2 PRO 6 18.589 3.667 -10.549 47 HB3 PRO 6 HB3 PRO 6 17.427 3.000 -11.738 48 HG2 PRO 6 HG2 PRO 6 16.681 4.873 -9.887 49 HG3 PRO 6 HG3 PRO 6 15.583 3.545 -10.391 50 HD2 PRO 6 HD2 PRO 6 17.259 3.747 -7.898 51 HD3 PRO 6 HD3 PRO 6 15.583 3.141 -8.113 52 H GLU 7 H GLU 7 19.265 1.948 -7.881 53 HA GLU 7 HA GLU 7 21.762 1.239 -9.352 54 HB2 GLU 7 HB2 GLU 7 21.381 2.901 -6.835 55 HB3 GLU 7 HB3 GLU 7 22.919 2.606 -7.656 56 HG2 GLU 7 HG2 GLU 7 20.514 4.039 -8.871 57 HG3 GLU 7 HG3 GLU 7 21.937 4.836 -8.198 58 H CYS 8 H CYS 8 20.024 0.783 -6.216 59 HA CYS 8 HA CYS 8 22.028 -1.148 -5.322 60 HB2 CYS 8 HB2 CYS 8 19.285 -0.459 -4.183 61 HB3 CYS 8 HB3 CYS 8 20.519 -1.462 -3.407 62 H ALA 9 H ALA 9 19.215 -1.199 -7.321 63 HA ALA 9 HA ALA 9 17.955 -2.838 -8.237 64 HB1 ALA 9 HB1 ALA 9 20.470 -4.509 -7.827 65 HB2 ALA 9 HB2 ALA 9 19.145 -4.849 -8.968 66 HB3 ALA 9 HB3 ALA 9 20.164 -3.415 -9.195 67 H SER 10 H SER 10 17.625 -2.429 -5.430 68 HA SER 10 HA SER 10 16.807 -5.152 -4.555 69 HB2 SER 10 HB2 SER 10 18.953 -4.438 -3.496 70 HB3 SER 10 HB3 SER 10 18.115 -3.025 -2.823 71 HG SER 10 HG SER 10 17.548 -5.763 -2.325 72 H ARG 11 H ARG 11 14.962 -5.216 -3.229 73 HA ARG 11 HA ARG 11 13.128 -2.983 -3.747 74 HB2 ARG 11 HB2 ARG 11 12.728 -5.774 -2.612 75 HB3 ARG 11 HB3 ARG 11 11.423 -4.600 -2.873 76 HG2 ARG 11 HG2 ARG 11 12.049 -4.472 -5.286 77 HG3 ARG 11 HG3 ARG 11 13.271 -5.738 -5.016 78 HD2 ARG 11 HD2 ARG 11 11.506 -7.282 -4.254 79 HD3 ARG 11 HD3 ARG 11 10.286 -6.018 -4.480 80 HE ARG 11 HE ARG 11 10.999 -6.032 -6.929 81 HH11 ARG 11 HH11 ARG 11 11.244 -8.905 -4.871 82 HH12 ARG 11 HH12 ARG 11 11.126 -10.016 -6.217 83 HH21 ARG 11 HH21 ARG 11 10.858 -7.514 -8.660 84 HH22 ARG 11 HH22 ARG 11 10.905 -9.235 -8.346 85 H TYR 12 H TYR 12 11.815 -1.984 -2.164 86 HA TYR 12 HA TYR 12 12.282 -2.567 0.671 87 HB2 TYR 12 HB2 TYR 12 12.893 -0.310 1.260 88 HB3 TYR 12 HB3 TYR 12 14.062 -0.903 0.078 89 HD1 TYR 12 HD2 TYR 12 14.044 -0.034 -2.249 90 HD2 TYR 12 HD1 TYR 12 11.440 1.552 0.782 91 HE1 TYR 12 HE2 TYR 12 13.655 1.983 -3.644 92 HE2 TYR 12 HE1 TYR 12 11.047 3.573 -0.605 93 HH TYR 12 HH TYR 12 12.631 4.026 -3.786 94 H PHE 13 H PHE 13 10.458 -1.933 1.899 95 HA PHE 13 HA PHE 13 8.146 -1.372 0.168 96 HB2 PHE 13 HB2 PHE 13 6.847 -2.348 2.136 97 HB3 PHE 13 HB3 PHE 13 7.801 -3.406 1.102 98 HD1 PHE 13 HD1 PHE 13 7.671 -1.810 4.440 99 HD2 PHE 13 HD2 PHE 13 9.715 -4.615 1.895 100 HE1 PHE 13 HE1 PHE 13 8.913 -2.682 6.399 101 HE2 PHE 13 HE2 PHE 13 10.950 -5.490 3.859 102 HZ PHE 13 HZ PHE 13 10.550 -4.525 6.114 103 H VAL 14 H VAL 14 6.409 -0.083 0.669 104 HA VAL 14 HA VAL 14 6.711 1.864 2.859 105 HB VAL 14 HB VAL 14 6.425 3.770 1.394 106 HG11 VAL 14 HG11 VAL 14 8.706 2.048 0.348 107 HG12 VAL 14 HG12 VAL 14 8.592 3.820 0.268 108 HG13 VAL 14 HG13 VAL 14 8.749 3.012 1.843 109 HG21 VAL 14 HG21 VAL 14 6.562 1.776 -0.900 110 HG22 VAL 14 HG22 VAL 14 5.123 2.708 -0.403 111 HG23 VAL 14 HG23 VAL 14 6.544 3.544 -1.068 112 H ASP 15 H ASP 15 4.707 3.144 3.160 113 HA ASP 15 HA ASP 15 2.387 1.498 2.983 114 HB2 ASP 15 HB2 ASP 15 2.729 4.444 3.625 115 HB3 ASP 15 HB3 ASP 15 1.205 3.562 3.779 116 H ASP 16 H ASP 16 0.412 1.821 1.823 117 HA ASP 16 HA ASP 16 0.868 2.385 -0.947 118 HB2 ASP 16 HB2 ASP 16 -1.672 1.889 0.639 119 HB3 ASP 16 HB3 ASP 16 -1.618 2.048 -1.123 120 H SER 17 H SER 17 0.095 4.480 1.668 121 HA SER 17 HA SER 17 -1.236 6.481 -0.017 122 HB2 SER 17 HB2 SER 17 -1.286 7.798 2.067 123 HB3 SER 17 HB3 SER 17 -1.887 6.149 2.337 124 HG SER 17 HG SER 17 -0.377 6.831 3.939 125 H LYS 18 H LYS 18 1.994 5.504 0.521 126 HA LYS 18 HA LYS 18 3.218 8.123 0.564 127 HB2 LYS 18 HB2 LYS 18 4.182 6.064 1.600 128 HB3 LYS 18 HB3 LYS 18 4.333 5.345 -0.012 129 HG2 LYS 18 HG2 LYS 18 6.467 6.254 0.771 130 HG3 LYS 18 HG3 LYS 18 5.906 7.099 -0.684 131 HD2 LYS 18 HD2 LYS 18 5.151 9.003 0.643 132 HD3 LYS 18 HD3 LYS 18 5.440 8.120 2.153 133 HE2 LYS 18 HE2 LYS 18 7.245 9.725 1.715 134 HE3 LYS 18 HE3 LYS 18 7.854 8.065 1.692 135 HZ1 LYS 18 HZ1 LYS 18 7.177 9.644 -0.696 136 HZ2 LYS 18 HZ2 LYS 18 8.698 9.352 -0.138 137 HZ3 LYS 18 HZ3 LYS 18 7.773 8.109 -0.692 138 H VAL 19 H VAL 19 1.794 6.169 -1.870 139 HA VAL 19 HA VAL 19 2.985 7.852 -3.987 140 HB VAL 19 HB VAL 19 2.794 4.843 -4.233 141 HG11 VAL 19 HG11 VAL 19 2.660 6.068 -6.360 142 HG12 VAL 19 HG12 VAL 19 4.126 6.990 -5.939 143 HG13 VAL 19 HG13 VAL 19 4.224 5.237 -6.226 144 HG21 VAL 19 HG21 VAL 19 5.276 4.844 -4.127 145 HG22 VAL 19 HG22 VAL 19 5.237 6.561 -3.661 146 HG23 VAL 19 HG23 VAL 19 4.532 5.319 -2.591 147 H GLY 20 H GLY 20 1.623 8.236 -5.751 148 HA2 GLY 20 HA2 GLY 20 -1.104 7.019 -5.591 149 HA3 GLY 20 HA3 GLY 20 -0.858 8.749 -5.855 150 HA PRO 21 HA PRO 21 -0.975 6.415 -9.930 151 HB2 PRO 21 HB2 PRO 21 -3.262 7.555 -10.949 152 HB3 PRO 21 HB3 PRO 21 -3.268 6.098 -9.900 153 HG2 PRO 21 HG2 PRO 21 -3.795 8.980 -9.139 154 HG3 PRO 21 HG3 PRO 21 -4.678 7.507 -8.619 155 HD2 PRO 21 HD2 PRO 21 -2.737 8.745 -7.097 156 HD3 PRO 21 HD3 PRO 21 -3.051 6.985 -7.016 157 H ASP 22 H ASP 22 -1.208 9.726 -8.807 158 HA ASP 22 HA ASP 22 -0.375 10.858 -11.371 159 HB2 ASP 22 HB2 ASP 22 -0.278 12.995 -10.021 160 HB3 ASP 22 HB3 ASP 22 -1.857 12.227 -10.181 161 H GLY 23 H GLY 23 1.180 9.111 -9.046 162 HA2 GLY 23 HA2 GLY 23 3.416 8.622 -8.898 163 HA3 GLY 23 HA3 GLY 23 3.810 9.983 -9.960 164 H ARG 24 H ARG 24 5.206 9.258 -7.560 165 HA ARG 24 HA ARG 24 5.117 11.821 -6.152 166 HB2 ARG 24 HB2 ARG 24 3.442 10.041 -5.117 167 HB3 ARG 24 HB3 ARG 24 4.920 9.324 -4.458 168 HG2 ARG 24 HG2 ARG 24 4.183 12.257 -4.085 169 HG3 ARG 24 HG3 ARG 24 3.639 10.984 -2.983 170 HD2 ARG 24 HD2 ARG 24 6.033 10.346 -2.609 171 HD3 ARG 24 HD3 ARG 24 6.519 11.754 -3.569 172 HE ARG 24 HE ARG 24 4.682 12.428 -1.421 173 HH11 ARG 24 HH11 ARG 24 8.080 11.819 -2.206 174 HH12 ARG 24 HH12 ARG 24 8.676 12.828 -0.908 175 HH21 ARG 24 HH21 ARG 24 5.498 13.716 0.277 176 HH22 ARG 24 HH22 ARG 24 7.222 13.895 0.492 177 H VAL 25 H VAL 25 7.189 12.352 -5.528 178 HA VAL 25 HA VAL 25 9.313 10.663 -6.463 179 HB VAL 25 HB VAL 25 9.270 13.182 -6.471 180 HG11 VAL 25 HG11 VAL 25 10.079 12.799 -3.560 181 HG12 VAL 25 HG12 VAL 25 10.037 14.336 -4.458 182 HG13 VAL 25 HG13 VAL 25 8.522 13.467 -4.115 183 HG21 VAL 25 HG21 VAL 25 11.681 11.849 -5.169 184 HG22 VAL 25 HG22 VAL 25 11.315 11.855 -6.912 185 HG23 VAL 25 HG23 VAL 25 11.673 13.382 -6.072 186 H VAL 26 H VAL 26 10.968 9.610 -5.369 187 HA VAL 26 HA VAL 26 10.684 9.240 -2.453 188 HB VAL 26 HB VAL 26 10.824 6.839 -2.624 189 HG11 VAL 26 HG11 VAL 26 8.660 7.809 -4.536 190 HG12 VAL 26 HG12 VAL 26 8.651 6.308 -3.591 191 HG13 VAL 26 HG13 VAL 26 8.559 7.877 -2.760 192 HG21 VAL 26 HG21 VAL 26 10.732 5.671 -4.796 193 HG22 VAL 26 HG22 VAL 26 10.806 7.233 -5.646 194 HG23 VAL 26 HG23 VAL 26 12.191 6.678 -4.683 195 H ARG 27 H ARG 27 12.658 8.030 -1.573 196 HA ARG 27 HA ARG 27 15.039 8.450 -3.268 197 HB2 ARG 27 HB2 ARG 27 16.207 9.717 -1.591 198 HB3 ARG 27 HB3 ARG 27 14.681 10.525 -1.969 199 HG2 ARG 27 HG2 ARG 27 14.669 10.667 0.333 200 HG3 ARG 27 HG3 ARG 27 13.778 9.145 0.122 201 HD2 ARG 27 HD2 ARG 27 15.852 7.862 0.523 202 HD3 ARG 27 HD3 ARG 27 16.783 9.369 0.603 203 HE ARG 27 HE ARG 27 14.610 9.319 2.524 204 HH11 ARG 27 HH11 ARG 27 17.881 8.165 1.880 205 HH12 ARG 27 HH12 ARG 27 18.318 8.060 3.567 206 HH21 ARG 27 HH21 ARG 27 15.187 9.170 4.732 207 HH22 ARG 27 HH22 ARG 27 16.775 8.607 5.190 208 H CYS 28 H CYS 28 16.846 7.224 -2.692 209 HA CYS 28 HA CYS 28 16.133 4.669 -1.511 210 HB2 CYS 28 HB2 CYS 28 17.514 4.996 -3.572 211 HB3 CYS 28 HB3 CYS 28 18.799 5.700 -2.571 212 H ALA 29 H ALA 29 16.743 3.850 0.440 213 HA ALA 29 HA ALA 29 18.020 5.620 2.385 214 HB1 ALA 29 HB1 ALA 29 17.593 3.752 3.932 215 HB2 ALA 29 HB2 ALA 29 16.127 4.125 2.998 216 HB3 ALA 29 HB3 ALA 29 17.121 2.713 2.568 217 H SER 30 H SER 30 19.160 3.512 -0.048 218 HA SER 30 HA SER 30 21.481 2.654 1.605 219 HB2 SER 30 HB2 SER 30 20.138 1.426 -0.818 220 HB3 SER 30 HB3 SER 30 21.697 0.876 -0.166 221 HG SER 30 HG SER 30 19.220 0.986 1.219 222 H CYS 31 H CYS 31 20.633 4.630 -1.177 223 HA CYS 31 HA CYS 31 23.507 5.228 -1.398 224 HB2 CYS 31 HB2 CYS 31 23.659 4.898 -3.759 225 HB3 CYS 31 HB3 CYS 31 23.043 3.400 -3.033 226 H GLY 32 H GLY 32 20.367 6.361 -1.157 227 HA2 GLY 32 HA2 GLY 32 19.730 8.553 -0.910 228 HA3 GLY 32 HA3 GLY 32 21.353 9.069 -1.405 229 H ASN 33 H ASN 33 20.160 6.923 -3.727 230 HA ASN 33 HA ASN 33 19.897 8.872 -5.764 231 HB2 ASN 33 HB2 ASN 33 20.394 6.414 -6.012 232 HB3 ASN 33 HB3 ASN 33 18.697 6.076 -5.649 233 HD21 ASN 33 HD22 ASN 33 18.502 5.073 -7.748 234 HD22 ASN 33 HD21 ASN 33 18.348 6.051 -9.191 235 H ARG 34 H ARG 34 17.979 9.581 -6.914 236 HA ARG 34 HA ARG 34 15.439 9.377 -5.383 237 HB2 ARG 34 HB2 ARG 34 16.534 11.395 -4.590 238 HB3 ARG 34 HB3 ARG 34 16.819 11.945 -6.251 239 HG2 ARG 34 HG2 ARG 34 14.375 12.088 -6.638 240 HG3 ARG 34 HG3 ARG 34 14.078 11.523 -4.978 241 HD2 ARG 34 HD2 ARG 34 15.596 14.050 -5.751 242 HD3 ARG 34 HD3 ARG 34 13.920 13.999 -5.190 243 HE ARG 34 HE ARG 34 16.367 13.565 -3.576 244 HH11 ARG 34 HH11 ARG 34 12.835 13.559 -3.736 245 HH12 ARG 34 HH12 ARG 34 12.638 13.602 -1.999 246 HH21 ARG 34 HH21 ARG 34 16.083 13.632 -1.309 247 HH22 ARG 34 HH22 ARG 34 14.472 13.656 -0.632 248 H TRP 35 H TRP 35 13.642 9.246 -6.612 249 HA TRP 35 HA TRP 35 13.578 10.160 -9.378 250 HB2 TRP 35 HB2 TRP 35 13.244 8.004 -10.393 251 HB3 TRP 35 HB3 TRP 35 14.786 7.974 -9.551 252 HD1 TRP 35 HD1 TRP 35 11.381 6.366 -9.621 253 HE1 TRP 35 HE1 TRP 35 11.265 4.392 -8.019 254 HE3 TRP 35 HE3 TRP 35 15.806 7.079 -7.149 255 HZ2 TRP 35 HZ2 TRP 35 12.865 3.272 -5.887 256 HZ3 TRP 35 HZ3 TRP 35 16.460 5.556 -5.314 257 HH2 TRP 35 HH2 TRP 35 14.998 3.656 -4.670 258 H THR 36 H THR 36 11.381 9.763 -10.318 259 HA THR 36 HA THR 36 9.360 9.955 -8.229 260 HB THR 36 HB THR 36 8.771 9.953 -11.174 261 HG1 THR 36 HG1 THR 36 9.238 12.148 -11.129 262 HG21 THR 36 HG21 THR 36 7.007 11.516 -10.429 263 HG22 THR 36 HG22 THR 36 6.883 9.962 -9.583 264 HG23 THR 36 HG23 THR 36 7.580 11.375 -8.751 265 H ALA 37 H ALA 37 8.233 8.347 -7.380 266 HA ALA 37 HA ALA 37 8.082 5.760 -8.809 267 HB1 ALA 37 HB1 ALA 37 7.201 4.931 -6.665 268 HB2 ALA 37 HB2 ALA 37 8.742 5.789 -6.420 269 HB3 ALA 37 HB3 ALA 37 7.203 6.586 -6.010 270 H PHE 38 H PHE 38 5.922 4.645 -8.813 271 HA PHE 38 HA PHE 38 3.605 6.405 -8.697 272 HB2 PHE 38 HB2 PHE 38 2.918 5.669 -11.057 273 HB3 PHE 38 HB3 PHE 38 4.072 6.990 -10.844 274 HD1 PHE 38 HD1 PHE 38 3.742 3.429 -11.822 275 HD2 PHE 38 HD2 PHE 38 6.339 6.851 -11.583 276 HE1 PHE 38 HE1 PHE 38 5.389 2.283 -13.281 277 HE2 PHE 38 HE2 PHE 38 7.994 5.694 -13.031 278 HZ PHE 38 HZ PHE 38 7.525 3.408 -13.869 279 H LYS 39 H LYS 39 1.537 5.376 -8.912 280 HA LYS 39 HA LYS 39 1.464 2.892 -7.498 281 HB2 LYS 39 HB2 LYS 39 -0.248 4.743 -7.403 282 HB3 LYS 39 HB3 LYS 39 -0.750 4.305 -9.043 283 HG2 LYS 39 HG2 LYS 39 -2.271 3.283 -7.455 284 HG3 LYS 39 HG3 LYS 39 -1.332 2.021 -8.260 285 HD2 LYS 39 HD2 LYS 39 -1.570 1.654 -5.809 286 HD3 LYS 39 HD3 LYS 39 0.132 1.809 -6.285 287 HE2 LYS 39 HE2 LYS 39 0.181 4.135 -5.544 288 HE3 LYS 39 HE3 LYS 39 -1.555 4.102 -5.208 289 HZ1 LYS 39 HZ1 LYS 39 0.469 2.474 -3.828 290 HZ2 LYS 39 HZ2 LYS 39 -0.282 3.812 -3.221 291 HZ3 LYS 39 HZ3 LYS 39 -1.144 2.449 -3.526 292 H ASP 40 H ASP 40 0.568 0.854 -8.226 293 HA ASP 40 HA ASP 40 0.491 0.387 -11.133 294 HB2 ASP 40 HB2 ASP 40 2.890 0.248 -10.334 295 HB3 ASP 40 HB3 ASP 40 2.412 -1.101 -9.298 296 H GLU 41 H GLU 41 -1.225 0.238 -8.531 297 HA GLU 41 HA GLU 41 -1.749 -2.552 -8.085 298 HB2 GLU 41 HB2 GLU 41 -2.213 -0.855 -6.396 299 HB3 GLU 41 HB3 GLU 41 -3.254 0.029 -7.525 300 HG2 GLU 41 HG2 GLU 41 -4.628 -1.179 -5.943 301 HG3 GLU 41 HG3 GLU 41 -4.848 -1.853 -7.553 302 H ALA 42 H ALA 42 -2.677 -0.246 -10.529 303 HA ALA 42 HA ALA 42 -4.323 -2.236 -11.894 304 HB1 ALA 42 HB1 ALA 42 -6.292 -0.739 -12.028 305 HB2 ALA 42 HB2 ALA 42 -5.937 -1.185 -10.340 306 HB3 ALA 42 HB3 ALA 42 -5.481 0.421 -10.949 307 H GLU 43 H GLU 43 -5.019 -1.370 -14.069 308 HA GLU 43 HA GLU 43 -3.525 0.950 -15.057 309 HB2 GLU 43 HB2 GLU 43 -1.853 -0.859 -15.127 310 HB3 GLU 43 HB3 GLU 43 -2.968 -1.867 -16.069 311 HG2 GLU 43 HG2 GLU 43 -2.950 -0.243 -17.899 312 HG3 GLU 43 HG3 GLU 43 -1.937 0.859 -16.948 313 H LEU 44 H LEU 44 -4.321 1.704 -17.066 314 HA LEU 44 HA LEU 44 -7.085 1.112 -17.534 315 HB2 LEU 44 HB2 LEU 44 -6.090 3.348 -17.844 316 HB3 LEU 44 HB3 LEU 44 -5.055 2.716 -19.132 317 HG LEU 44 HG LEU 44 -7.078 2.175 -20.484 318 HD11 LEU 44 HD11 LEU 44 -8.536 3.608 -18.216 319 HD12 LEU 44 HD12 LEU 44 -9.253 3.157 -19.780 320 HD13 LEU 44 HD13 LEU 44 -8.713 1.892 -18.650 321 HD21 LEU 44 HD21 LEU 44 -5.904 4.331 -20.749 322 HD22 LEU 44 HD22 LEU 44 -7.653 4.499 -21.028 323 HD23 LEU 44 HD23 LEU 44 -6.933 5.049 -19.492 324 H GLU 45 H GLU 45 -8.085 0.181 -19.383 325 HA GLU 45 HA GLU 45 -6.782 -2.159 -20.404 326 HB2 GLU 45 HB2 GLU 45 -8.820 -2.434 -21.720 327 HB3 GLU 45 HB3 GLU 45 -9.220 -1.964 -20.053 328 HG2 GLU 45 HG2 GLU 45 -9.459 0.403 -20.807 329 HG3 GLU 45 HG3 GLU 45 -9.133 -0.109 -22.473 330 H LEU 46 H LEU 46 -6.470 -2.666 -22.723 331 HA LEU 46 HA LEU 46 -4.844 -0.651 -23.991 332 HB2 LEU 46 HB2 LEU 46 -5.880 -3.304 -25.065 333 HB3 LEU 46 HB3 LEU 46 -4.563 -2.341 -25.752 334 HG LEU 46 HG LEU 46 -4.574 -3.595 -22.967 335 HD11 LEU 46 HD11 LEU 46 -4.424 -5.235 -24.809 336 HD12 LEU 46 HD12 LEU 46 -3.065 -4.322 -25.508 337 HD13 LEU 46 HD13 LEU 46 -2.885 -5.110 -23.921 338 HD21 LEU 46 HD21 LEU 46 -2.414 -2.107 -24.521 339 HD22 LEU 46 HD22 LEU 46 -3.216 -1.541 -23.037 340 HD23 LEU 46 HD23 LEU 46 -2.161 -2.965 -22.985 341 H VAL 47 H VAL 47 -5.156 0.223 -26.140 342 HA VAL 47 HA VAL 47 -7.781 1.302 -26.507 343 HB VAL 47 HB VAL 47 -5.454 1.346 -28.455 344 HG11 VAL 47 HG11 VAL 47 -7.745 3.296 -27.971 345 HG12 VAL 47 HG12 VAL 47 -6.438 3.490 -29.159 346 HG13 VAL 47 HG13 VAL 47 -7.618 2.183 -29.351 347 HG21 VAL 47 HG21 VAL 47 -6.071 3.184 -26.106 348 HG22 VAL 47 HG22 VAL 47 -4.667 2.095 -26.248 349 HG23 VAL 47 HG23 VAL 47 -4.828 3.482 -27.341 350 HA PRO 48 HA PRO 48 -9.445 -2.031 -28.899 351 HB2 PRO 48 HB2 PRO 48 -11.727 -0.825 -29.836 352 HB3 PRO 48 HB3 PRO 48 -11.511 -1.317 -28.125 353 HG2 PRO 48 HG2 PRO 48 -11.140 1.426 -29.354 354 HG3 PRO 48 HG3 PRO 48 -11.978 0.986 -27.827 355 HD2 PRO 48 HD2 PRO 48 -9.399 1.923 -27.892 356 HD3 PRO 48 HD3 PRO 48 -9.952 0.728 -26.680 357 H ARG 49 H ARG 49 -8.098 0.794 -30.191 358 HA ARG 49 HA ARG 49 -8.951 0.638 -32.913 359 HB2 ARG 49 HB2 ARG 49 -7.946 2.660 -31.996 360 HB3 ARG 49 HB3 ARG 49 -6.456 1.793 -31.598 361 HG2 ARG 49 HG2 ARG 49 -6.186 3.126 -33.652 362 HG3 ARG 49 HG3 ARG 49 -6.018 1.395 -33.993 363 HD2 ARG 49 HD2 ARG 49 -8.393 1.336 -34.757 364 HD3 ARG 49 HD3 ARG 49 -8.525 3.072 -34.440 365 HE ARG 49 HE ARG 49 -7.310 3.521 -36.374 366 HH11 ARG 49 HH11 ARG 49 -7.128 0.068 -35.613 367 HH12 ARG 49 HH12 ARG 49 -6.441 -0.353 -37.162 368 HH21 ARG 49 HH21 ARG 49 -6.392 2.936 -38.375 369 HH22 ARG 49 HH22 ARG 49 -6.012 1.262 -38.721 Start of MODEL 10 1 H1 MET 1 H1 MET 1 2.586 -0.913 -0.373 2 H2 MET 1 H2 MET 1 3.978 -0.181 0.100 3 H3 MET 1 H3 MET 1 3.821 -1.812 0.245 4 HA MET 1 HA MET 1 3.757 -2.112 -2.094 5 HB2 MET 1 HB2 MET 1 4.044 -0.217 -3.615 6 HB3 MET 1 HB3 MET 1 2.600 -0.002 -2.610 7 HG2 MET 1 HG2 MET 1 4.057 1.381 -1.035 8 HG3 MET 1 HG3 MET 1 5.302 1.351 -2.291 9 HE1 MET 1 HE1 MET 1 5.067 2.510 -4.659 10 HE2 MET 1 HE2 MET 1 3.602 1.545 -4.964 11 HE3 MET 1 HE3 MET 1 3.575 3.302 -5.222 12 H ILE 2 H ILE 2 5.757 -1.961 -3.542 13 HA ILE 2 HA ILE 2 8.175 -1.292 -1.973 14 HB ILE 2 HB ILE 2 7.315 -3.773 -1.790 15 HG12 ILE 2 HG12 ILE 2 10.223 -3.293 -2.517 16 HG13 ILE 2 HG13 ILE 2 9.485 -2.708 -1.006 17 HG21 ILE 2 HG21 ILE 2 8.917 -3.921 -4.380 18 HG22 ILE 2 HG22 ILE 2 8.185 -5.273 -3.493 19 HG23 ILE 2 HG23 ILE 2 7.142 -4.075 -4.289 20 HD11 ILE 2 HD11 ILE 2 9.594 -5.620 -1.892 21 HD12 ILE 2 HD12 ILE 2 10.595 -4.868 -0.628 22 HD13 ILE 2 HD13 ILE 2 8.837 -5.008 -0.401 23 H LEU 3 H LEU 3 9.989 -0.780 -3.232 24 HA LEU 3 HA LEU 3 9.590 -0.758 -6.178 25 HB2 LEU 3 HB2 LEU 3 10.687 1.562 -4.545 26 HB3 LEU 3 HB3 LEU 3 10.481 1.488 -6.303 27 HG LEU 3 HG LEU 3 7.923 0.962 -5.588 28 HD11 LEU 3 HD11 LEU 3 7.304 2.410 -3.676 29 HD12 LEU 3 HD12 LEU 3 8.389 1.112 -3.136 30 HD13 LEU 3 HD13 LEU 3 9.018 2.759 -3.373 31 HD21 LEU 3 HD21 LEU 3 7.478 3.355 -5.910 32 HD22 LEU 3 HD22 LEU 3 9.199 3.722 -5.635 33 HD23 LEU 3 HD23 LEU 3 8.705 2.778 -7.061 34 H THR 4 H THR 4 11.498 -0.919 -7.408 35 HA THR 4 HA THR 4 13.822 -1.898 -5.884 36 HB THR 4 HB THR 4 13.608 -2.002 -8.878 37 HG1 THR 4 HG1 THR 4 12.567 -3.976 -8.602 38 HG21 THR 4 HG21 THR 4 14.886 -3.811 -6.788 39 HG22 THR 4 HG22 THR 4 14.983 -4.011 -8.552 40 HG23 THR 4 HG23 THR 4 15.753 -2.610 -7.778 41 H CYS 5 H CYS 5 15.806 -0.978 -5.806 42 HA CYS 5 HA CYS 5 16.000 1.801 -6.614 43 HB2 CYS 5 HB2 CYS 5 16.927 1.000 -4.499 44 HB3 CYS 5 HB3 CYS 5 18.018 -0.096 -5.383 45 HA PRO 6 HA PRO 6 17.897 0.947 -10.593 46 HB2 PRO 6 HB2 PRO 6 18.943 3.729 -10.343 47 HB3 PRO 6 HB3 PRO 6 17.935 3.022 -11.639 48 HG2 PRO 6 HG2 PRO 6 16.905 4.772 -9.800 49 HG3 PRO 6 HG3 PRO 6 15.951 3.383 -10.427 50 HD2 PRO 6 HD2 PRO 6 17.414 3.616 -7.807 51 HD3 PRO 6 HD3 PRO 6 15.803 2.919 -8.168 52 H GLU 7 H GLU 7 19.497 1.943 -7.658 53 HA GLU 7 HA GLU 7 22.175 1.486 -8.908 54 HB2 GLU 7 HB2 GLU 7 21.415 3.032 -6.401 55 HB3 GLU 7 HB3 GLU 7 23.056 2.853 -7.051 56 HG2 GLU 7 HG2 GLU 7 20.714 4.143 -8.525 57 HG3 GLU 7 HG3 GLU 7 21.966 5.028 -7.643 58 H CYS 8 H CYS 8 20.181 0.766 -5.987 59 HA CYS 8 HA CYS 8 22.234 -1.069 -4.982 60 HB2 CYS 8 HB2 CYS 8 19.361 -0.611 -4.058 61 HB3 CYS 8 HB3 CYS 8 20.592 -1.559 -3.213 62 H ALA 9 H ALA 9 19.666 -1.206 -7.255 63 HA ALA 9 HA ALA 9 18.575 -2.882 -8.331 64 HB1 ALA 9 HB1 ALA 9 21.143 -4.410 -7.753 65 HB2 ALA 9 HB2 ALA 9 19.937 -4.798 -9.005 66 HB3 ALA 9 HB3 ALA 9 20.883 -3.288 -9.104 67 H SER 10 H SER 10 17.933 -2.583 -5.596 68 HA SER 10 HA SER 10 17.084 -5.339 -4.903 69 HB2 SER 10 HB2 SER 10 19.215 -4.789 -3.706 70 HB3 SER 10 HB3 SER 10 18.406 -3.395 -2.969 71 HG SER 10 HG SER 10 18.335 -5.275 -1.643 72 H ARG 11 H ARG 11 15.322 -5.313 -3.281 73 HA ARG 11 HA ARG 11 13.444 -3.182 -4.013 74 HB2 ARG 11 HB2 ARG 11 13.123 -5.780 -2.472 75 HB3 ARG 11 HB3 ARG 11 11.803 -4.649 -2.839 76 HG2 ARG 11 HG2 ARG 11 12.363 -4.873 -5.283 77 HG3 ARG 11 HG3 ARG 11 13.538 -6.134 -4.857 78 HD2 ARG 11 HD2 ARG 11 10.556 -6.188 -4.214 79 HD3 ARG 11 HD3 ARG 11 11.329 -7.073 -5.541 80 HE ARG 11 HE ARG 11 11.419 -7.727 -2.676 81 HH11 ARG 11 HH11 ARG 11 12.819 -8.279 -5.874 82 HH12 ARG 11 HH12 ARG 11 13.509 -9.825 -5.436 83 HH21 ARG 11 HH21 ARG 11 12.320 -9.743 -2.129 84 HH22 ARG 11 HH22 ARG 11 13.211 -10.659 -3.318 85 H TYR 12 H TYR 12 12.256 -1.933 -2.588 86 HA TYR 12 HA TYR 12 12.860 -2.013 0.265 87 HB2 TYR 12 HB2 TYR 12 14.611 -0.570 -0.279 88 HB3 TYR 12 HB3 TYR 12 13.652 0.289 -1.488 89 HD1 TYR 12 HD1 TYR 12 14.156 -0.183 2.155 90 HD2 TYR 12 HD2 TYR 12 12.208 2.103 -0.922 91 HE1 TYR 12 HE1 TYR 12 13.533 1.536 3.837 92 HE2 TYR 12 HE2 TYR 12 11.593 3.837 0.748 93 HH TYR 12 HH TYR 12 12.427 3.514 4.213 94 H PHE 13 H PHE 13 11.234 -1.264 1.588 95 HA PHE 13 HA PHE 13 8.750 -0.843 0.046 96 HB2 PHE 13 HB2 PHE 13 7.647 -1.809 2.145 97 HB3 PHE 13 HB3 PHE 13 8.502 -2.866 1.027 98 HD1 PHE 13 HD1 PHE 13 8.697 -1.225 4.345 99 HD2 PHE 13 HD2 PHE 13 10.489 -4.060 1.655 100 HE1 PHE 13 HE1 PHE 13 10.120 -2.076 6.189 101 HE2 PHE 13 HE2 PHE 13 11.933 -4.894 3.493 102 HZ PHE 13 HZ PHE 13 11.739 -3.912 5.765 103 H VAL 14 H VAL 14 7.064 0.418 0.630 104 HA VAL 14 HA VAL 14 7.421 2.347 2.821 105 HB VAL 14 HB VAL 14 6.939 4.253 1.380 106 HG11 VAL 14 HG11 VAL 14 9.320 3.633 1.741 107 HG12 VAL 14 HG12 VAL 14 9.276 2.670 0.241 108 HG13 VAL 14 HG13 VAL 14 9.051 4.429 0.171 109 HG21 VAL 14 HG21 VAL 14 5.637 3.116 -0.375 110 HG22 VAL 14 HG22 VAL 14 6.980 4.042 -1.085 111 HG23 VAL 14 HG23 VAL 14 7.103 2.275 -0.930 112 H ASP 15 H ASP 15 5.357 3.561 3.218 113 HA ASP 15 HA ASP 15 3.110 1.800 3.122 114 HB2 ASP 15 HB2 ASP 15 3.334 4.748 3.815 115 HB3 ASP 15 HB3 ASP 15 1.863 3.782 4.007 116 H ASP 16 H ASP 16 1.072 2.064 2.050 117 HA ASP 16 HA ASP 16 1.393 2.668 -0.726 118 HB2 ASP 16 HB2 ASP 16 -1.064 2.080 0.954 119 HB3 ASP 16 HB3 ASP 16 -1.077 2.236 -0.813 120 H SER 17 H SER 17 0.776 4.758 1.906 121 HA SER 17 HA SER 17 -0.846 6.664 0.388 122 HB2 SER 17 HB2 SER 17 -1.146 6.330 2.815 123 HB3 SER 17 HB3 SER 17 0.526 6.864 3.099 124 HG SER 17 HG SER 17 -0.032 8.879 2.242 125 H LYS 18 H LYS 18 2.480 5.864 0.531 126 HA LYS 18 HA LYS 18 3.503 8.582 0.320 127 HB2 LYS 18 HB2 LYS 18 4.843 5.892 -0.183 128 HB3 LYS 18 HB3 LYS 18 5.665 7.453 -0.043 129 HG2 LYS 18 HG2 LYS 18 4.028 6.104 2.152 130 HG3 LYS 18 HG3 LYS 18 5.796 6.174 2.062 131 HD2 LYS 18 HD2 LYS 18 5.667 8.680 2.151 132 HD3 LYS 18 HD3 LYS 18 3.905 8.548 2.358 133 HE2 LYS 18 HE2 LYS 18 4.240 7.203 4.402 134 HE3 LYS 18 HE3 LYS 18 6.000 7.332 4.203 135 HZ1 LYS 18 HZ1 LYS 18 5.779 9.712 4.416 136 HZ2 LYS 18 HZ2 LYS 18 4.151 9.577 4.624 137 HZ3 LYS 18 HZ3 LYS 18 5.175 8.951 5.746 138 H VAL 19 H VAL 19 1.909 6.527 -1.854 139 HA VAL 19 HA VAL 19 2.913 8.124 -4.129 140 HB VAL 19 HB VAL 19 2.696 5.102 -4.230 141 HG11 VAL 19 HG11 VAL 19 3.822 5.416 -6.425 142 HG12 VAL 19 HG12 VAL 19 2.237 6.219 -6.381 143 HG13 VAL 19 HG13 VAL 19 3.724 7.179 -6.214 144 HG21 VAL 19 HG21 VAL 19 4.652 5.703 -2.887 145 HG22 VAL 19 HG22 VAL 19 5.177 5.160 -4.489 146 HG23 VAL 19 HG23 VAL 19 5.157 6.899 -4.111 147 H GLY 20 H GLY 20 1.384 8.560 -5.691 148 HA2 GLY 20 HA2 GLY 20 -1.301 7.293 -5.342 149 HA3 GLY 20 HA3 GLY 20 -1.110 9.031 -5.602 150 HA PRO 21 HA PRO 21 -1.457 6.754 -9.685 151 HB2 PRO 21 HB2 PRO 21 -3.804 7.892 -10.558 152 HB3 PRO 21 HB3 PRO 21 -3.744 6.415 -9.542 153 HG2 PRO 21 HG2 PRO 21 -4.272 9.266 -8.693 154 HG3 PRO 21 HG3 PRO 21 -5.088 7.763 -8.150 155 HD2 PRO 21 HD2 PRO 21 -3.088 9.023 -6.720 156 HD3 PRO 21 HD3 PRO 21 -3.357 7.255 -6.662 157 H ASP 22 H ASP 22 -1.688 10.082 -8.536 158 HA ASP 22 HA ASP 22 -1.052 11.272 -11.104 159 HB2 ASP 22 HB2 ASP 22 -1.080 12.340 -8.259 160 HB3 ASP 22 HB3 ASP 22 -0.741 13.318 -9.691 161 H GLY 23 H GLY 23 0.706 9.412 -8.953 162 HA2 GLY 23 HA2 GLY 23 2.941 8.850 -9.022 163 HA3 GLY 23 HA3 GLY 23 3.263 10.184 -10.141 164 H ARG 24 H ARG 24 4.855 9.418 -7.874 165 HA ARG 24 HA ARG 24 5.120 12.017 -6.593 166 HB2 ARG 24 HB2 ARG 24 3.364 10.875 -5.188 167 HB3 ARG 24 HB3 ARG 24 4.504 9.544 -4.920 168 HG2 ARG 24 HG2 ARG 24 4.498 11.067 -3.006 169 HG3 ARG 24 HG3 ARG 24 6.077 11.098 -3.806 170 HD2 ARG 24 HD2 ARG 24 5.461 13.185 -4.974 171 HD3 ARG 24 HD3 ARG 24 3.847 13.131 -4.247 172 HE ARG 24 HE ARG 24 6.405 13.792 -2.895 173 HH11 ARG 24 HH11 ARG 24 2.915 13.277 -2.662 174 HH12 ARG 24 HH12 ARG 24 2.780 14.088 -1.118 175 HH21 ARG 24 HH21 ARG 24 6.202 14.834 -0.879 176 HH22 ARG 24 HH22 ARG 24 4.636 14.967 -0.115 177 H VAL 25 H VAL 25 7.218 12.289 -5.748 178 HA VAL 25 HA VAL 25 9.148 10.364 -6.760 179 HB VAL 25 HB VAL 25 9.407 12.851 -6.917 180 HG11 VAL 25 HG11 VAL 25 10.253 14.057 -4.962 181 HG12 VAL 25 HG12 VAL 25 8.639 13.386 -4.607 182 HG13 VAL 25 HG13 VAL 25 10.099 12.598 -3.962 183 HG21 VAL 25 HG21 VAL 25 11.637 11.375 -5.464 184 HG22 VAL 25 HG22 VAL 25 11.308 11.306 -7.215 185 HG23 VAL 25 HG23 VAL 25 11.812 12.834 -6.458 186 H VAL 26 H VAL 26 10.714 9.218 -5.587 187 HA VAL 26 HA VAL 26 10.270 9.004 -2.658 188 HB VAL 26 HB VAL 26 10.302 6.632 -2.695 189 HG11 VAL 26 HG11 VAL 26 8.506 7.527 -4.994 190 HG12 VAL 26 HG12 VAL 26 8.302 6.076 -3.992 191 HG13 VAL 26 HG13 VAL 26 8.115 7.682 -3.262 192 HG21 VAL 26 HG21 VAL 26 11.973 6.289 -4.480 193 HG22 VAL 26 HG22 VAL 26 10.522 5.322 -4.779 194 HG23 VAL 26 HG23 VAL 26 10.790 6.821 -5.699 195 H ARG 27 H ARG 27 12.132 7.648 -1.635 196 HA ARG 27 HA ARG 27 14.682 8.248 -3.025 197 HB2 ARG 27 HB2 ARG 27 15.602 9.330 -1.047 198 HB3 ARG 27 HB3 ARG 27 14.138 10.163 -1.577 199 HG2 ARG 27 HG2 ARG 27 13.723 10.060 0.688 200 HG3 ARG 27 HG3 ARG 27 12.961 8.540 0.192 201 HD2 ARG 27 HD2 ARG 27 15.108 7.343 0.755 202 HD3 ARG 27 HD3 ARG 27 15.783 8.888 1.291 203 HE ARG 27 HE ARG 27 14.420 8.843 3.202 204 HH11 ARG 27 HH11 ARG 27 13.668 6.145 1.038 205 HH12 ARG 27 HH12 ARG 27 12.803 5.254 2.269 206 HH21 ARG 27 HH21 ARG 27 13.241 7.666 4.773 207 HH22 ARG 27 HH22 ARG 27 12.546 6.117 4.363 208 H CYS 28 H CYS 28 16.430 6.959 -2.432 209 HA CYS 28 HA CYS 28 15.698 4.325 -1.424 210 HB2 CYS 28 HB2 CYS 28 17.185 4.753 -3.401 211 HB3 CYS 28 HB3 CYS 28 18.390 5.453 -2.304 212 H ALA 29 H ALA 29 16.185 3.463 0.537 213 HA ALA 29 HA ALA 29 17.281 5.204 2.611 214 HB1 ALA 29 HB1 ALA 29 16.423 2.286 2.654 215 HB2 ALA 29 HB2 ALA 29 16.794 3.290 4.077 216 HB3 ALA 29 HB3 ALA 29 15.397 3.687 3.057 217 H SER 30 H SER 30 18.672 3.231 0.203 218 HA SER 30 HA SER 30 20.884 2.388 2.001 219 HB2 SER 30 HB2 SER 30 19.787 1.204 -0.573 220 HB3 SER 30 HB3 SER 30 21.299 0.672 0.186 221 HG SER 30 HG SER 30 20.146 0.103 2.018 222 H CYS 31 H CYS 31 20.169 4.451 -0.746 223 HA CYS 31 HA CYS 31 23.028 5.156 -0.759 224 HB2 CYS 31 HB2 CYS 31 23.349 4.925 -3.110 225 HB3 CYS 31 HB3 CYS 31 22.740 3.373 -2.485 226 H GLY 32 H GLY 32 19.794 6.134 -0.797 227 HA2 GLY 32 HA2 GLY 32 19.033 8.296 -0.537 228 HA3 GLY 32 HA3 GLY 32 20.665 8.901 -0.864 229 H ASN 33 H ASN 33 19.867 6.780 -3.351 230 HA ASN 33 HA ASN 33 19.599 8.786 -5.345 231 HB2 ASN 33 HB2 ASN 33 20.359 6.393 -5.638 232 HB3 ASN 33 HB3 ASN 33 18.681 5.882 -5.425 233 HD21 ASN 33 HD22 ASN 33 18.569 4.985 -7.527 234 HD22 ASN 33 HD21 ASN 33 18.480 5.998 -8.955 235 H ARG 34 H ARG 34 17.724 9.341 -6.645 236 HA ARG 34 HA ARG 34 15.106 8.830 -5.333 237 HB2 ARG 34 HB2 ARG 34 16.155 11.554 -6.185 238 HB3 ARG 34 HB3 ARG 34 14.517 11.212 -5.597 239 HG2 ARG 34 HG2 ARG 34 15.502 10.382 -3.446 240 HG3 ARG 34 HG3 ARG 34 17.116 10.851 -4.038 241 HD2 ARG 34 HD2 ARG 34 16.366 13.189 -4.251 242 HD3 ARG 34 HD3 ARG 34 14.750 12.739 -3.695 243 HE ARG 34 HE ARG 34 17.241 12.554 -2.037 244 HH11 ARG 34 HH11 ARG 34 13.747 13.055 -2.318 245 HH12 ARG 34 HH12 ARG 34 13.543 13.396 -0.618 246 HH21 ARG 34 HH21 ARG 34 16.940 13.009 0.168 247 HH22 ARG 34 HH22 ARG 34 15.348 13.373 0.788 248 H TRP 35 H TRP 35 13.329 8.831 -6.685 249 HA TRP 35 HA TRP 35 13.520 9.591 -9.486 250 HB2 TRP 35 HB2 TRP 35 13.109 7.373 -10.392 251 HB3 TRP 35 HB3 TRP 35 14.646 7.394 -9.533 252 HD1 TRP 35 HD1 TRP 35 11.172 5.884 -9.423 253 HE1 TRP 35 HE1 TRP 35 11.048 4.010 -7.706 254 HE3 TRP 35 HE3 TRP 35 15.739 6.529 -7.224 255 HZ2 TRP 35 HZ2 TRP 35 12.734 2.903 -5.623 256 HZ3 TRP 35 HZ3 TRP 35 16.446 5.049 -5.368 257 HH2 TRP 35 HH2 TRP 35 14.959 3.244 -4.562 258 H THR 36 H THR 36 11.399 9.393 -10.544 259 HA THR 36 HA THR 36 9.254 9.756 -8.651 260 HB THR 36 HB THR 36 8.790 9.560 -11.600 261 HG1 THR 36 HG1 THR 36 9.492 11.712 -11.729 262 HG21 THR 36 HG21 THR 36 7.740 11.354 -9.369 263 HG22 THR 36 HG22 THR 36 7.213 11.392 -11.066 264 HG23 THR 36 HG23 THR 36 6.887 9.957 -10.074 265 H ALA 37 H ALA 37 7.526 8.510 -8.151 266 HA ALA 37 HA ALA 37 7.437 5.773 -9.339 267 HB1 ALA 37 HB1 ALA 37 6.793 6.649 -6.493 268 HB2 ALA 37 HB2 ALA 37 6.681 4.997 -7.137 269 HB3 ALA 37 HB3 ALA 37 8.266 5.784 -6.995 270 H PHE 38 H PHE 38 5.224 4.787 -9.206 271 HA PHE 38 HA PHE 38 3.019 6.653 -8.875 272 HB2 PHE 38 HB2 PHE 38 2.108 6.027 -11.184 273 HB3 PHE 38 HB3 PHE 38 3.340 7.282 -11.038 274 HD1 PHE 38 HD2 PHE 38 2.712 3.798 -12.134 275 HD2 PHE 38 HD1 PHE 38 5.567 7.011 -11.925 276 HE1 PHE 38 HE2 PHE 38 4.165 2.612 -13.759 277 HE2 PHE 38 HE1 PHE 38 7.018 5.823 -13.547 278 HZ PHE 38 HZ PHE 38 6.316 3.624 -14.464 279 H LYS 39 H LYS 39 1.012 5.787 -8.550 280 HA LYS 39 HA LYS 39 1.061 3.011 -7.642 281 HB2 LYS 39 HB2 LYS 39 -0.007 4.724 -6.301 282 HB3 LYS 39 HB3 LYS 39 -1.094 5.158 -7.636 283 HG2 LYS 39 HG2 LYS 39 -2.246 3.055 -7.520 284 HG3 LYS 39 HG3 LYS 39 -1.012 2.357 -6.451 285 HD2 LYS 39 HD2 LYS 39 -2.786 4.715 -5.701 286 HD3 LYS 39 HD3 LYS 39 -3.120 3.027 -5.263 287 HE2 LYS 39 HE2 LYS 39 -0.918 2.900 -4.119 288 HE3 LYS 39 HE3 LYS 39 -0.620 4.600 -4.511 289 HZ1 LYS 39 HZ1 LYS 39 -2.575 5.168 -3.240 290 HZ2 LYS 39 HZ2 LYS 39 -2.805 3.589 -2.828 291 HZ3 LYS 39 HZ3 LYS 39 -1.459 4.387 -2.316 292 H ASP 40 H ASP 40 -0.496 1.408 -8.286 293 HA ASP 40 HA ASP 40 -1.787 1.797 -10.919 294 HB2 ASP 40 HB2 ASP 40 0.557 0.955 -11.290 295 HB3 ASP 40 HB3 ASP 40 0.159 -0.471 -10.316 296 H GLU 41 H GLU 41 -1.812 0.704 -7.726 297 HA GLU 41 HA GLU 41 -3.523 -1.623 -8.056 298 HB2 GLU 41 HB2 GLU 41 -2.867 0.184 -5.692 299 HB3 GLU 41 HB3 GLU 41 -3.838 -1.282 -5.565 300 HG2 GLU 41 HG2 GLU 41 -0.960 -1.161 -6.592 301 HG3 GLU 41 HG3 GLU 41 -1.432 -1.623 -4.951 302 H ALA 42 H ALA 42 -4.011 1.832 -8.081 303 HA ALA 42 HA ALA 42 -6.885 1.500 -8.382 304 HB1 ALA 42 HB1 ALA 42 -6.627 1.392 -5.923 305 HB2 ALA 42 HB2 ALA 42 -5.766 2.946 -5.942 306 HB3 ALA 42 HB3 ALA 42 -7.475 2.877 -6.424 307 H GLU 43 H GLU 43 -7.939 3.555 -8.922 308 HA GLU 43 HA GLU 43 -6.276 5.907 -9.386 309 HB2 GLU 43 HB2 GLU 43 -5.742 4.457 -11.333 310 HB3 GLU 43 HB3 GLU 43 -7.468 4.361 -11.729 311 HG2 GLU 43 HG2 GLU 43 -7.551 6.790 -12.094 312 HG3 GLU 43 HG3 GLU 43 -5.867 6.946 -11.575 313 H LEU 44 H LEU 44 -7.559 7.780 -9.876 314 HA LEU 44 HA LEU 44 -10.188 7.701 -8.704 315 HB2 LEU 44 HB2 LEU 44 -8.520 9.803 -10.123 316 HB3 LEU 44 HB3 LEU 44 -10.206 10.110 -9.684 317 HG LEU 44 HG LEU 44 -9.654 9.523 -7.302 318 HD11 LEU 44 HD11 LEU 44 -7.625 8.194 -7.581 319 HD12 LEU 44 HD12 LEU 44 -6.801 9.563 -8.378 320 HD13 LEU 44 HD13 LEU 44 -7.233 9.655 -6.658 321 HD21 LEU 44 HD21 LEU 44 -9.775 11.850 -8.082 322 HD22 LEU 44 HD22 LEU 44 -8.501 11.672 -6.859 323 HD23 LEU 44 HD23 LEU 44 -8.069 11.784 -8.586 324 H GLU 45 H GLU 45 -12.195 8.321 -9.733 325 HA GLU 45 HA GLU 45 -12.606 7.005 -12.277 326 HB2 GLU 45 HB2 GLU 45 -14.416 8.773 -10.593 327 HB3 GLU 45 HB3 GLU 45 -14.941 7.819 -11.987 328 HG2 GLU 45 HG2 GLU 45 -13.665 6.670 -9.462 329 HG3 GLU 45 HG3 GLU 45 -15.399 6.706 -9.793 330 H LEU 46 H LEU 46 -13.450 7.972 -14.198 331 HA LEU 46 HA LEU 46 -13.277 9.390 -15.961 332 HB2 LEU 46 HB2 LEU 46 -13.571 11.589 -13.884 333 HB3 LEU 46 HB3 LEU 46 -13.931 11.703 -15.611 334 HG LEU 46 HG LEU 46 -15.360 9.868 -13.632 335 HD11 LEU 46 HD11 LEU 46 -16.256 12.424 -15.026 336 HD12 LEU 46 HD12 LEU 46 -17.257 11.407 -13.964 337 HD13 LEU 46 HD13 LEU 46 -15.856 12.268 -13.294 338 HD21 LEU 46 HD21 LEU 46 -15.332 8.933 -15.919 339 HD22 LEU 46 HD22 LEU 46 -16.949 9.531 -15.515 340 HD23 LEU 46 HD23 LEU 46 -15.887 10.494 -16.572 341 H VAL 47 H VAL 47 -12.114 11.636 -16.683 342 HA VAL 47 HA VAL 47 -9.320 11.017 -16.573 343 HB VAL 47 HB VAL 47 -10.661 13.554 -17.573 344 HG11 VAL 47 HG11 VAL 47 -8.031 12.205 -18.324 345 HG12 VAL 47 HG12 VAL 47 -8.694 13.686 -19.049 346 HG13 VAL 47 HG13 VAL 47 -8.187 13.688 -17.348 347 HG21 VAL 47 HG21 VAL 47 -11.688 11.576 -18.625 348 HG22 VAL 47 HG22 VAL 47 -10.642 12.421 -19.784 349 HG23 VAL 47 HG23 VAL 47 -10.075 10.924 -19.002 350 HA PRO 48 HA PRO 48 -8.465 13.148 -12.783 351 HB2 PRO 48 HB2 PRO 48 -5.727 13.095 -12.834 352 HB3 PRO 48 HB3 PRO 48 -6.733 11.636 -12.536 353 HG2 PRO 48 HG2 PRO 48 -5.430 12.526 -15.116 354 HG3 PRO 48 HG3 PRO 48 -5.479 10.883 -14.394 355 HD2 PRO 48 HD2 PRO 48 -7.205 11.701 -16.375 356 HD3 PRO 48 HD3 PRO 48 -7.682 10.531 -15.106 357 H ARG 49 H ARG 49 -7.651 14.342 -15.918 358 HA ARG 49 HA ARG 49 -6.273 16.753 -15.106 359 HB2 ARG 49 HB2 ARG 49 -7.749 16.046 -17.677 360 HB3 ARG 49 HB3 ARG 49 -6.694 17.453 -17.442 361 HG2 ARG 49 HG2 ARG 49 -4.791 15.926 -16.925 362 HG3 ARG 49 HG3 ARG 49 -5.851 14.527 -17.188 363 HD2 ARG 49 HD2 ARG 49 -4.534 14.951 -19.195 364 HD3 ARG 49 HD3 ARG 49 -6.247 15.273 -19.515 365 HE ARG 49 HE ARG 49 -4.240 17.422 -18.921 366 HH11 ARG 49 HH11 ARG 49 -6.964 16.180 -20.815 367 HH12 ARG 49 HH12 ARG 49 -7.116 17.641 -21.763 368 HH21 ARG 49 HH21 ARG 49 -4.467 19.308 -20.173 369 HH22 ARG 49 HH22 ARG 49 -5.713 19.409 -21.394 Start of MODEL 11 1 H1 MET 1 H1 MET 1 3.351 -0.436 -0.255 2 H2 MET 1 H2 MET 1 3.194 -2.071 -0.239 3 H3 MET 1 H3 MET 1 1.999 -1.141 -0.884 4 HA MET 1 HA MET 1 3.304 -2.216 -2.587 5 HB2 MET 1 HB2 MET 1 3.703 -0.224 -3.952 6 HB3 MET 1 HB3 MET 1 2.178 -0.071 -3.064 7 HG2 MET 1 HG2 MET 1 3.434 1.238 -1.298 8 HG3 MET 1 HG3 MET 1 4.839 1.236 -2.376 9 HE1 MET 1 HE1 MET 1 3.518 1.628 -5.267 10 HE2 MET 1 HE2 MET 1 3.622 3.396 -5.391 11 HE3 MET 1 HE3 MET 1 4.961 2.478 -4.658 12 H ILE 2 H ILE 2 5.427 -1.851 -3.891 13 HA ILE 2 HA ILE 2 7.695 -1.351 -2.058 14 HB ILE 2 HB ILE 2 6.881 -3.853 -2.249 15 HG12 ILE 2 HG12 ILE 2 9.826 -3.319 -2.719 16 HG13 ILE 2 HG13 ILE 2 9.006 -2.834 -1.220 17 HG21 ILE 2 HG21 ILE 2 8.646 -3.641 -4.723 18 HG22 ILE 2 HG22 ILE 2 7.907 -5.113 -4.059 19 HG23 ILE 2 HG23 ILE 2 6.879 -3.854 -4.764 20 HD11 ILE 2 HD11 ILE 2 9.128 -5.668 -2.320 21 HD12 ILE 2 HD12 ILE 2 10.045 -5.034 -0.932 22 HD13 ILE 2 HD13 ILE 2 8.276 -5.164 -0.843 23 H LEU 3 H LEU 3 9.666 -0.851 -3.121 24 HA LEU 3 HA LEU 3 9.442 -0.246 -6.025 25 HB2 LEU 3 HB2 LEU 3 10.475 1.587 -3.824 26 HB3 LEU 3 HB3 LEU 3 10.555 1.932 -5.560 27 HG LEU 3 HG LEU 3 7.941 1.443 -4.060 28 HD11 LEU 3 HD11 LEU 3 9.281 4.056 -4.847 29 HD12 LEU 3 HD12 LEU 3 7.663 3.886 -4.122 30 HD13 LEU 3 HD13 LEU 3 9.103 3.441 -3.184 31 HD21 LEU 3 HD21 LEU 3 6.961 2.560 -6.050 32 HD22 LEU 3 HD22 LEU 3 8.583 2.675 -6.777 33 HD23 LEU 3 HD23 LEU 3 7.837 1.085 -6.512 34 H THR 4 H THR 4 11.423 -0.254 -7.168 35 HA THR 4 HA THR 4 13.650 -1.508 -5.667 36 HB THR 4 HB THR 4 13.293 -1.843 -8.627 37 HG1 THR 4 HG1 THR 4 12.156 -3.735 -8.138 38 HG21 THR 4 HG21 THR 4 15.449 -2.493 -7.596 39 HG22 THR 4 HG22 THR 4 14.582 -3.532 -6.443 40 HG23 THR 4 HG23 THR 4 14.558 -3.911 -8.184 41 H CYS 5 H CYS 5 15.636 -0.659 -5.663 42 HA CYS 5 HA CYS 5 16.011 1.979 -6.821 43 HB2 CYS 5 HB2 CYS 5 16.886 1.352 -4.596 44 HB3 CYS 5 HB3 CYS 5 17.889 0.097 -5.352 45 HA PRO 6 HA PRO 6 17.827 0.361 -10.573 46 HB2 PRO 6 HB2 PRO 6 18.781 2.702 -11.625 47 HB3 PRO 6 HB3 PRO 6 17.031 2.308 -11.577 48 HG2 PRO 6 HG2 PRO 6 18.615 4.048 -9.683 49 HG3 PRO 6 HG3 PRO 6 17.011 4.371 -10.421 50 HD2 PRO 6 HD2 PRO 6 17.319 3.370 -7.870 51 HD3 PRO 6 HD3 PRO 6 15.924 2.948 -8.905 52 H GLU 7 H GLU 7 19.493 1.952 -7.952 53 HA GLU 7 HA GLU 7 22.143 1.298 -9.144 54 HB2 GLU 7 HB2 GLU 7 21.417 2.960 -6.699 55 HB3 GLU 7 HB3 GLU 7 23.047 2.753 -7.365 56 HG2 GLU 7 HG2 GLU 7 20.681 4.009 -8.823 57 HG3 GLU 7 HG3 GLU 7 21.985 4.902 -8.023 58 H CYS 8 H CYS 8 20.125 0.719 -6.218 59 HA CYS 8 HA CYS 8 22.165 -1.106 -5.146 60 HB2 CYS 8 HB2 CYS 8 19.358 -0.442 -4.152 61 HB3 CYS 8 HB3 CYS 8 20.574 -1.401 -3.292 62 H ALA 9 H ALA 9 19.381 -1.246 -7.209 63 HA ALA 9 HA ALA 9 18.189 -2.935 -8.132 64 HB1 ALA 9 HB1 ALA 9 20.738 -4.525 -7.657 65 HB2 ALA 9 HB2 ALA 9 19.446 -4.923 -8.815 66 HB3 ALA 9 HB3 ALA 9 20.421 -3.452 -9.048 67 H SER 10 H SER 10 17.716 -2.490 -5.400 68 HA SER 10 HA SER 10 16.939 -5.213 -4.492 69 HB2 SER 10 HB2 SER 10 19.025 -4.438 -3.340 70 HB3 SER 10 HB3 SER 10 18.137 -3.017 -2.759 71 HG SER 10 HG SER 10 17.608 -5.742 -2.172 72 H ARG 11 H ARG 11 15.052 -5.252 -3.155 73 HA ARG 11 HA ARG 11 13.185 -3.116 -3.886 74 HB2 ARG 11 HB2 ARG 11 12.802 -5.777 -2.475 75 HB3 ARG 11 HB3 ARG 11 11.496 -4.662 -2.929 76 HG2 ARG 11 HG2 ARG 11 12.266 -4.807 -5.321 77 HG3 ARG 11 HG3 ARG 11 13.424 -6.062 -4.829 78 HD2 ARG 11 HD2 ARG 11 10.409 -6.182 -4.441 79 HD3 ARG 11 HD3 ARG 11 11.304 -7.013 -5.722 80 HE ARG 11 HE ARG 11 12.581 -7.996 -3.581 81 HH11 ARG 11 HH11 ARG 11 9.119 -7.555 -4.158 82 HH12 ARG 11 HH12 ARG 11 8.656 -8.880 -3.116 83 HH21 ARG 11 HH21 ARG 11 11.945 -9.705 -2.208 84 HH22 ARG 11 HH22 ARG 11 10.251 -10.090 -2.014 85 H TYR 12 H TYR 12 11.853 -1.999 -2.432 86 HA TYR 12 HA TYR 12 12.333 -2.227 0.425 87 HB2 TYR 12 HB2 TYR 12 14.107 -0.749 0.012 88 HB3 TYR 12 HB3 TYR 12 13.167 0.191 -1.143 89 HD1 TYR 12 HD2 TYR 12 13.713 -0.491 2.443 90 HD2 TYR 12 HD1 TYR 12 11.622 1.915 -0.443 91 HE1 TYR 12 HE2 TYR 12 13.082 1.103 4.238 92 HE2 TYR 12 HE1 TYR 12 11.006 3.529 1.341 93 HH TYR 12 HH TYR 12 11.993 3.060 4.753 94 H PHE 13 H PHE 13 10.580 -1.723 1.651 95 HA PHE 13 HA PHE 13 8.210 -1.152 -0.004 96 HB2 PHE 13 HB2 PHE 13 6.975 -2.243 1.956 97 HB3 PHE 13 HB3 PHE 13 7.908 -3.235 0.840 98 HD1 PHE 13 HD1 PHE 13 7.869 -1.788 4.244 99 HD2 PHE 13 HD2 PHE 13 9.871 -4.446 1.524 100 HE1 PHE 13 HE1 PHE 13 9.162 -2.745 6.134 101 HE2 PHE 13 HE2 PHE 13 11.179 -5.392 3.413 102 HZ PHE 13 HZ PHE 13 10.818 -4.551 5.717 103 H VAL 14 H VAL 14 6.478 0.072 0.538 104 HA VAL 14 HA VAL 14 6.704 1.891 2.840 105 HB VAL 14 HB VAL 14 6.353 3.876 1.455 106 HG11 VAL 14 HG11 VAL 14 8.768 2.311 0.443 107 HG12 VAL 14 HG12 VAL 14 8.569 4.075 0.436 108 HG13 VAL 14 HG13 VAL 14 8.692 3.207 1.981 109 HG21 VAL 14 HG21 VAL 14 5.194 2.836 -0.450 110 HG22 VAL 14 HG22 VAL 14 6.589 3.783 -1.000 111 HG23 VAL 14 HG23 VAL 14 6.692 2.006 -0.926 112 H ASP 15 H ASP 15 4.638 3.097 3.182 113 HA ASP 15 HA ASP 15 2.374 1.407 2.761 114 HB2 ASP 15 HB2 ASP 15 2.596 4.285 3.690 115 HB3 ASP 15 HB3 ASP 15 1.095 3.343 3.695 116 H ASP 16 H ASP 16 0.441 1.805 1.545 117 HA ASP 16 HA ASP 16 1.022 2.565 -1.144 118 HB2 ASP 16 HB2 ASP 16 -1.599 2.004 0.285 119 HB3 ASP 16 HB3 ASP 16 -1.458 2.249 -1.460 120 H SER 17 H SER 17 0.228 4.502 1.561 121 HA SER 17 HA SER 17 -1.164 6.583 0.051 122 HB2 SER 17 HB2 SER 17 -1.691 6.114 2.405 123 HB3 SER 17 HB3 SER 17 -0.029 6.536 2.876 124 HG SER 17 HG SER 17 -0.413 8.635 2.101 125 H LYS 18 H LYS 18 2.109 5.627 0.433 126 HA LYS 18 HA LYS 18 3.256 8.299 0.441 127 HB2 LYS 18 HB2 LYS 18 4.509 5.578 -0.116 128 HB3 LYS 18 HB3 LYS 18 5.400 7.079 0.142 129 HG2 LYS 18 HG2 LYS 18 3.577 5.707 2.164 130 HG3 LYS 18 HG3 LYS 18 5.346 5.738 2.197 131 HD2 LYS 18 HD2 LYS 18 3.508 8.149 2.487 132 HD3 LYS 18 HD3 LYS 18 4.450 7.372 3.770 133 HE2 LYS 18 HE2 LYS 18 6.547 7.914 2.553 134 HE3 LYS 18 HE3 LYS 18 5.598 8.733 1.300 135 HZ1 LYS 18 HZ1 LYS 18 4.800 10.245 2.987 136 HZ2 LYS 18 HZ2 LYS 18 5.685 9.488 4.144 137 HZ3 LYS 18 HZ3 LYS 18 6.444 10.275 2.914 138 H VAL 19 H VAL 19 1.761 6.420 -1.964 139 HA VAL 19 HA VAL 19 2.947 8.161 -4.042 140 HB VAL 19 HB VAL 19 2.611 5.165 -4.385 141 HG11 VAL 19 HG11 VAL 19 3.814 7.325 -6.174 142 HG12 VAL 19 HG12 VAL 19 3.806 5.584 -6.523 143 HG13 VAL 19 HG13 VAL 19 2.271 6.474 -6.452 144 HG21 VAL 19 HG21 VAL 19 5.127 6.848 -4.045 145 HG22 VAL 19 HG22 VAL 19 4.526 5.609 -2.916 146 HG23 VAL 19 HG23 VAL 19 5.094 5.134 -4.528 147 H GLY 20 H GLY 20 1.383 9.121 -5.210 148 HA2 GLY 20 HA2 GLY 20 -1.399 8.179 -4.897 149 HA3 GLY 20 HA3 GLY 20 -0.867 9.710 -5.606 150 HA PRO 21 HA PRO 21 -1.996 6.653 -8.969 151 HB2 PRO 21 HB2 PRO 21 -4.042 8.100 -10.099 152 HB3 PRO 21 HB3 PRO 21 -4.286 6.963 -8.731 153 HG2 PRO 21 HG2 PRO 21 -4.003 9.969 -8.658 154 HG3 PRO 21 HG3 PRO 21 -5.156 8.929 -7.749 155 HD2 PRO 21 HD2 PRO 21 -2.812 9.908 -6.664 156 HD3 PRO 21 HD3 PRO 21 -3.521 8.344 -6.168 157 H ASP 22 H ASP 22 -1.226 10.037 -8.627 158 HA ASP 22 HA ASP 22 -0.403 10.264 -11.446 159 HB2 ASP 22 HB2 ASP 22 0.050 12.670 -10.790 160 HB3 ASP 22 HB3 ASP 22 -1.634 12.131 -10.762 161 H GLY 23 H GLY 23 0.921 8.921 -8.802 162 HA2 GLY 23 HA2 GLY 23 3.094 8.202 -8.485 163 HA3 GLY 23 HA3 GLY 23 3.649 9.264 -9.788 164 H ARG 24 H ARG 24 5.086 8.990 -7.421 165 HA ARG 24 HA ARG 24 5.141 11.754 -6.486 166 HB2 ARG 24 HB2 ARG 24 3.454 10.688 -4.986 167 HB3 ARG 24 HB3 ARG 24 4.646 9.446 -4.560 168 HG2 ARG 24 HG2 ARG 24 4.531 11.143 -2.807 169 HG3 ARG 24 HG3 ARG 24 6.122 11.194 -3.583 170 HD2 ARG 24 HD2 ARG 24 5.392 13.126 -4.957 171 HD3 ARG 24 HD3 ARG 24 3.777 13.030 -4.225 172 HE ARG 24 HE ARG 24 6.218 13.521 -2.570 173 HH11 ARG 24 HH11 ARG 24 2.989 14.477 -3.654 174 HH12 ARG 24 HH12 ARG 24 2.855 15.769 -2.482 175 HH21 ARG 24 HH21 ARG 24 6.011 15.204 -1.056 176 HH22 ARG 24 HH22 ARG 24 4.557 16.179 -1.019 177 H VAL 25 H VAL 25 7.177 12.292 -5.591 178 HA VAL 25 HA VAL 25 9.308 10.582 -6.506 179 HB VAL 25 HB VAL 25 9.304 13.088 -6.575 180 HG11 VAL 25 HG11 VAL 25 9.956 12.791 -3.613 181 HG12 VAL 25 HG12 VAL 25 9.994 14.299 -4.550 182 HG13 VAL 25 HG13 VAL 25 8.446 13.465 -4.273 183 HG21 VAL 25 HG21 VAL 25 11.367 11.728 -6.861 184 HG22 VAL 25 HG22 VAL 25 11.687 13.293 -6.079 185 HG23 VAL 25 HG23 VAL 25 11.650 11.804 -5.108 186 H VAL 26 H VAL 26 10.946 9.556 -5.355 187 HA VAL 26 HA VAL 26 10.588 9.236 -2.439 188 HB VAL 26 HB VAL 26 10.700 6.851 -2.524 189 HG11 VAL 26 HG11 VAL 26 8.700 7.753 -4.644 190 HG12 VAL 26 HG12 VAL 26 8.628 6.261 -3.674 191 HG13 VAL 26 HG13 VAL 26 8.444 7.839 -2.884 192 HG21 VAL 26 HG21 VAL 26 10.987 7.135 -5.543 193 HG22 VAL 26 HG22 VAL 26 12.246 6.598 -4.408 194 HG23 VAL 26 HG23 VAL 26 10.803 5.601 -4.656 195 H ARG 27 H ARG 27 12.529 8.017 -1.481 196 HA ARG 27 HA ARG 27 15.003 8.549 -3.035 197 HB2 ARG 27 HB2 ARG 27 14.646 10.533 -1.669 198 HB3 ARG 27 HB3 ARG 27 14.408 9.529 -0.222 199 HG2 ARG 27 HG2 ARG 27 16.727 8.727 -0.365 200 HG3 ARG 27 HG3 ARG 27 16.964 9.633 -1.876 201 HD2 ARG 27 HD2 ARG 27 17.914 10.887 -0.002 202 HD3 ARG 27 HD3 ARG 27 16.533 11.752 -0.679 203 HE ARG 27 HE ARG 27 15.344 11.427 1.294 204 HH11 ARG 27 HH11 ARG 27 18.264 9.426 1.316 205 HH12 ARG 27 HH12 ARG 27 18.111 9.017 3.006 206 HH21 ARG 27 HH21 ARG 27 15.160 10.856 3.498 207 HH22 ARG 27 HH22 ARG 27 16.352 9.817 4.239 208 H CYS 28 H CYS 28 16.686 7.176 -2.653 209 HA CYS 28 HA CYS 28 16.022 4.621 -1.470 210 HB2 CYS 28 HB2 CYS 28 17.383 4.997 -3.554 211 HB3 CYS 28 HB3 CYS 28 18.678 5.665 -2.538 212 H ALA 29 H ALA 29 16.615 3.804 0.482 213 HA ALA 29 HA ALA 29 17.902 5.570 2.424 214 HB1 ALA 29 HB1 ALA 29 16.967 2.675 2.615 215 HB2 ALA 29 HB2 ALA 29 17.450 3.711 3.977 216 HB3 ALA 29 HB3 ALA 29 15.996 4.107 3.031 217 H SER 30 H SER 30 19.056 3.496 -0.021 218 HA SER 30 HA SER 30 21.350 2.599 1.654 219 HB2 SER 30 HB2 SER 30 20.038 1.414 -0.807 220 HB3 SER 30 HB3 SER 30 21.590 0.850 -0.148 221 HG SER 30 HG SER 30 19.787 -0.315 0.681 222 H CYS 31 H CYS 31 20.533 4.654 -1.061 223 HA CYS 31 HA CYS 31 23.405 5.255 -1.272 224 HB2 CYS 31 HB2 CYS 31 23.565 4.968 -3.640 225 HB3 CYS 31 HB3 CYS 31 22.952 3.455 -2.944 226 H GLY 32 H GLY 32 20.229 6.353 -1.079 227 HA2 GLY 32 HA2 GLY 32 19.575 8.543 -0.813 228 HA3 GLY 32 HA3 GLY 32 21.198 9.077 -1.283 229 H ASN 33 H ASN 33 20.082 6.926 -3.649 230 HA ASN 33 HA ASN 33 19.812 8.902 -5.662 231 HB2 ASN 33 HB2 ASN 33 20.392 6.458 -5.932 232 HB3 ASN 33 HB3 ASN 33 18.690 6.073 -5.624 233 HD21 ASN 33 HD22 ASN 33 18.515 5.128 -7.741 234 HD22 ASN 33 HD21 ASN 33 18.415 6.135 -9.169 235 H ARG 34 H ARG 34 17.905 9.532 -6.874 236 HA ARG 34 HA ARG 34 15.352 9.349 -5.355 237 HB2 ARG 34 HB2 ARG 34 16.430 11.396 -4.622 238 HB3 ARG 34 HB3 ARG 34 16.741 11.877 -6.301 239 HG2 ARG 34 HG2 ARG 34 14.294 11.978 -6.728 240 HG3 ARG 34 HG3 ARG 34 13.993 11.527 -5.032 241 HD2 ARG 34 HD2 ARG 34 15.515 13.996 -5.958 242 HD3 ARG 34 HD3 ARG 34 13.825 13.983 -5.445 243 HE ARG 34 HE ARG 34 14.522 13.376 -3.198 244 HH11 ARG 34 HH11 ARG 34 17.109 14.444 -5.367 245 HH12 ARG 34 HH12 ARG 34 18.175 14.891 -4.055 246 HH21 ARG 34 HH21 ARG 34 15.922 13.998 -1.518 247 HH22 ARG 34 HH22 ARG 34 17.510 14.633 -1.884 248 H TRP 35 H TRP 35 13.549 9.183 -6.610 249 HA TRP 35 HA TRP 35 13.511 10.056 -9.381 250 HB2 TRP 35 HB2 TRP 35 13.180 7.877 -10.375 251 HB3 TRP 35 HB3 TRP 35 14.722 7.882 -9.532 252 HD1 TRP 35 HD1 TRP 35 11.302 6.278 -9.527 253 HE1 TRP 35 HE1 TRP 35 11.218 4.308 -7.916 254 HE3 TRP 35 HE3 TRP 35 15.808 6.962 -7.205 255 HZ2 TRP 35 HZ2 TRP 35 12.881 3.184 -5.824 256 HZ3 TRP 35 HZ3 TRP 35 16.515 5.433 -5.395 257 HH2 TRP 35 HH2 TRP 35 15.068 3.547 -4.696 258 H THR 36 H THR 36 11.325 9.659 -10.349 259 HA THR 36 HA THR 36 9.263 9.892 -8.321 260 HB THR 36 HB THR 36 8.822 9.737 -11.297 261 HG1 THR 36 HG1 THR 36 9.149 11.978 -11.269 262 HG21 THR 36 HG21 THR 36 6.929 11.234 -10.725 263 HG22 THR 36 HG22 THR 36 6.829 9.685 -9.858 264 HG23 THR 36 HG23 THR 36 7.384 11.150 -9.007 265 H ALA 37 H ALA 37 8.183 8.284 -7.403 266 HA ALA 37 HA ALA 37 8.151 5.621 -8.645 267 HB1 ALA 37 HB1 ALA 37 6.999 6.657 -6.025 268 HB2 ALA 37 HB2 ALA 37 7.097 4.950 -6.523 269 HB3 ALA 37 HB3 ALA 37 8.583 5.878 -6.224 270 H PHE 38 H PHE 38 6.075 4.438 -8.855 271 HA PHE 38 HA PHE 38 3.763 6.193 -9.336 272 HB2 PHE 38 HB2 PHE 38 5.153 4.503 -11.382 273 HB3 PHE 38 HB3 PHE 38 3.430 4.839 -11.505 274 HD1 PHE 38 HD2 PHE 38 2.593 7.101 -11.896 275 HD2 PHE 38 HD1 PHE 38 6.809 6.291 -11.689 276 HE1 PHE 38 HE2 PHE 38 3.074 9.322 -12.914 277 HE2 PHE 38 HE1 PHE 38 7.288 8.503 -12.706 278 HZ PHE 38 HZ PHE 38 5.417 10.019 -13.317 279 H LYS 39 H LYS 39 1.796 4.849 -10.088 280 HA LYS 39 HA LYS 39 1.597 2.434 -8.358 281 HB2 LYS 39 HB2 LYS 39 0.749 4.271 -7.068 282 HB3 LYS 39 HB3 LYS 39 -0.230 4.858 -8.424 283 HG2 LYS 39 HG2 LYS 39 -1.670 2.923 -8.343 284 HG3 LYS 39 HG3 LYS 39 -0.611 2.107 -7.175 285 HD2 LYS 39 HD2 LYS 39 -2.079 4.720 -6.634 286 HD3 LYS 39 HD3 LYS 39 -2.655 3.113 -6.146 287 HE2 LYS 39 HE2 LYS 39 -0.503 2.764 -4.908 288 HE3 LYS 39 HE3 LYS 39 -0.055 4.439 -5.287 289 HZ1 LYS 39 HZ1 LYS 39 -2.424 3.612 -3.741 290 HZ2 LYS 39 HZ2 LYS 39 -1.052 4.296 -3.129 291 HZ3 LYS 39 HZ3 LYS 39 -2.025 5.164 -4.118 292 H ASP 40 H ASP 40 -0.101 0.967 -8.945 293 HA ASP 40 HA ASP 40 -1.461 1.406 -11.522 294 HB2 ASP 40 HB2 ASP 40 0.807 0.526 -12.099 295 HB3 ASP 40 HB3 ASP 40 0.506 -0.879 -11.069 296 H GLU 41 H GLU 41 -1.045 -0.190 -8.437 297 HA GLU 41 HA GLU 41 -2.985 -2.284 -8.823 298 HB2 GLU 41 HB2 GLU 41 -1.836 -0.924 -6.354 299 HB3 GLU 41 HB3 GLU 41 -2.901 -2.329 -6.284 300 HG2 GLU 41 HG2 GLU 41 -0.221 -2.241 -7.750 301 HG3 GLU 41 HG3 GLU 41 -0.469 -2.918 -6.132 302 H ALA 42 H ALA 42 -3.245 1.134 -8.284 303 HA ALA 42 HA ALA 42 -6.143 0.960 -8.122 304 HB1 ALA 42 HB1 ALA 42 -4.557 2.081 -5.769 305 HB2 ALA 42 HB2 ALA 42 -6.328 2.097 -5.948 306 HB3 ALA 42 HB3 ALA 42 -5.465 0.555 -5.764 307 H GLU 43 H GLU 43 -4.197 2.040 -9.976 308 HA GLU 43 HA GLU 43 -3.807 4.837 -9.604 309 HB2 GLU 43 HB2 GLU 43 -2.442 3.517 -11.082 310 HB3 GLU 43 HB3 GLU 43 -3.828 3.053 -12.070 311 HG2 GLU 43 HG2 GLU 43 -3.133 5.977 -11.701 312 HG3 GLU 43 HG3 GLU 43 -2.201 4.986 -12.829 313 H LEU 44 H LEU 44 -6.625 3.014 -10.394 314 HA LEU 44 HA LEU 44 -8.009 4.988 -11.958 315 HB2 LEU 44 HB2 LEU 44 -9.062 2.723 -10.212 316 HB3 LEU 44 HB3 LEU 44 -10.000 3.602 -11.433 317 HG LEU 44 HG LEU 44 -7.497 1.960 -12.018 318 HD11 LEU 44 HD11 LEU 44 -10.443 1.345 -12.480 319 HD12 LEU 44 HD12 LEU 44 -9.074 0.335 -12.995 320 HD13 LEU 44 HD13 LEU 44 -9.399 0.576 -11.262 321 HD21 LEU 44 HD21 LEU 44 -7.870 3.779 -13.651 322 HD22 LEU 44 HD22 LEU 44 -8.250 2.207 -14.379 323 HD23 LEU 44 HD23 LEU 44 -9.567 3.271 -13.835 324 H GLU 45 H GLU 45 -6.912 5.253 -8.844 325 HA GLU 45 HA GLU 45 -9.205 6.379 -7.528 326 HB2 GLU 45 HB2 GLU 45 -7.341 5.385 -6.306 327 HB3 GLU 45 HB3 GLU 45 -6.209 6.531 -7.029 328 HG2 GLU 45 HG2 GLU 45 -6.704 7.164 -4.732 329 HG3 GLU 45 HG3 GLU 45 -7.291 8.400 -5.839 330 H LEU 46 H LEU 46 -7.265 7.538 -10.087 331 HA LEU 46 HA LEU 46 -6.993 10.267 -9.393 332 HB2 LEU 46 HB2 LEU 46 -6.291 10.604 -11.554 333 HB3 LEU 46 HB3 LEU 46 -5.923 8.891 -11.324 334 HG LEU 46 HG LEU 46 -8.418 9.977 -12.721 335 HD11 LEU 46 HD11 LEU 46 -5.855 8.789 -13.848 336 HD12 LEU 46 HD12 LEU 46 -7.298 9.239 -14.785 337 HD13 LEU 46 HD13 LEU 46 -6.349 10.492 -13.950 338 HD21 LEU 46 HD21 LEU 46 -8.758 7.720 -11.757 339 HD22 LEU 46 HD22 LEU 46 -8.657 7.645 -13.527 340 HD23 LEU 46 HD23 LEU 46 -7.260 7.160 -12.544 341 H VAL 47 H VAL 47 -8.126 12.134 -10.331 342 HA VAL 47 HA VAL 47 -10.913 12.003 -9.780 343 HB VAL 47 HB VAL 47 -9.320 14.159 -11.213 344 HG11 VAL 47 HG11 VAL 47 -11.945 14.315 -9.667 345 HG12 VAL 47 HG12 VAL 47 -11.075 15.681 -10.402 346 HG13 VAL 47 HG13 VAL 47 -11.782 14.427 -11.437 347 HG21 VAL 47 HG21 VAL 47 -8.332 13.617 -9.029 348 HG22 VAL 47 HG22 VAL 47 -9.160 15.185 -8.950 349 HG23 VAL 47 HG23 VAL 47 -9.927 13.740 -8.256 350 HA PRO 48 HA PRO 48 -12.301 10.581 -13.766 351 HB2 PRO 48 HB2 PRO 48 -14.984 11.134 -13.516 352 HB3 PRO 48 HB3 PRO 48 -14.173 9.760 -12.694 353 HG2 PRO 48 HG2 PRO 48 -14.872 12.485 -11.569 354 HG3 PRO 48 HG3 PRO 48 -15.073 10.870 -10.806 355 HD2 PRO 48 HD2 PRO 48 -12.967 12.518 -10.242 356 HD3 PRO 48 HD3 PRO 48 -12.798 10.738 -10.261 357 H ARG 49 H ARG 49 -13.367 11.398 -15.730 358 HA ARG 49 HA ARG 49 -12.560 14.079 -16.342 359 HB2 ARG 49 HB2 ARG 49 -12.544 12.276 -17.999 360 HB3 ARG 49 HB3 ARG 49 -14.303 12.088 -17.849 361 HG2 ARG 49 HG2 ARG 49 -14.647 14.383 -18.681 362 HG3 ARG 49 HG3 ARG 49 -12.886 14.617 -18.787 363 HD2 ARG 49 HD2 ARG 49 -12.745 12.741 -20.407 364 HD3 ARG 49 HD3 ARG 49 -14.504 12.535 -20.303 365 HE ARG 49 HE ARG 49 -14.835 14.560 -21.486 366 HH11 ARG 49 HH11 ARG 49 -11.402 13.819 -21.036 367 HH12 ARG 49 HH12 ARG 49 -10.882 14.938 -22.273 368 HH21 ARG 49 HH21 ARG 49 -14.122 16.007 -23.092 369 HH22 ARG 49 HH22 ARG 49 -12.414 16.184 -23.424 Start of MODEL 12 1 H1 MET 1 H1 MET 1 2.408 -0.967 -0.498 2 H2 MET 1 H2 MET 1 3.795 -0.259 0.033 3 H3 MET 1 H3 MET 1 3.639 -1.893 0.104 4 HA MET 1 HA MET 1 3.619 -2.105 -2.239 5 HB2 MET 1 HB2 MET 1 3.949 -0.149 -3.675 6 HB3 MET 1 HB3 MET 1 2.463 0.012 -2.718 7 HG2 MET 1 HG2 MET 1 3.822 1.369 -1.048 8 HG3 MET 1 HG3 MET 1 5.139 1.364 -2.224 9 HE1 MET 1 HE1 MET 1 3.605 3.375 -5.223 10 HE2 MET 1 HE2 MET 1 5.034 2.523 -4.592 11 HE3 MET 1 HE3 MET 1 3.562 1.610 -5.005 12 H ILE 2 H ILE 2 5.650 -1.841 -3.658 13 HA ILE 2 HA ILE 2 8.026 -1.225 -2.010 14 HB ILE 2 HB ILE 2 7.199 -3.736 -1.974 15 HG12 ILE 2 HG12 ILE 2 10.110 -3.196 -2.622 16 HG13 ILE 2 HG13 ILE 2 9.348 -2.675 -1.100 17 HG21 ILE 2 HG21 ILE 2 8.855 -3.702 -4.533 18 HG22 ILE 2 HG22 ILE 2 8.136 -5.125 -3.745 19 HG23 ILE 2 HG23 ILE 2 7.088 -3.900 -4.491 20 HD11 ILE 2 HD11 ILE 2 9.475 -5.548 -2.098 21 HD12 ILE 2 HD12 ILE 2 10.454 -4.844 -0.791 22 HD13 ILE 2 HD13 ILE 2 8.690 -4.993 -0.597 23 H LEU 3 H LEU 3 9.886 -0.707 -3.201 24 HA LEU 3 HA LEU 3 9.558 -0.466 -6.149 25 HB2 LEU 3 HB2 LEU 3 10.529 1.669 -4.204 26 HB3 LEU 3 HB3 LEU 3 10.638 1.788 -5.969 27 HG LEU 3 HG LEU 3 8.007 1.415 -4.471 28 HD11 LEU 3 HD11 LEU 3 7.644 3.800 -4.850 29 HD12 LEU 3 HD12 LEU 3 9.095 3.537 -3.849 30 HD13 LEU 3 HD13 LEU 3 9.260 3.949 -5.576 31 HD21 LEU 3 HD21 LEU 3 7.972 0.728 -6.856 32 HD22 LEU 3 HD22 LEU 3 7.048 2.228 -6.616 33 HD23 LEU 3 HD23 LEU 3 8.678 2.299 -7.314 34 H THR 4 H THR 4 11.511 -0.567 -7.339 35 HA THR 4 HA THR 4 13.771 -1.654 -5.771 36 HB THR 4 HB THR 4 13.499 -1.952 -8.752 37 HG1 THR 4 HG1 THR 4 11.621 -2.765 -7.889 38 HG21 THR 4 HG21 THR 4 14.846 -3.969 -8.313 39 HG22 THR 4 HG22 THR 4 15.666 -2.518 -7.704 40 HG23 THR 4 HG23 THR 4 14.833 -3.619 -6.576 41 H CYS 5 H CYS 5 15.761 -0.794 -5.727 42 HA CYS 5 HA CYS 5 16.090 1.898 -6.787 43 HB2 CYS 5 HB2 CYS 5 16.936 1.231 -4.575 44 HB3 CYS 5 HB3 CYS 5 17.995 0.022 -5.334 45 HA PRO 6 HA PRO 6 18.041 0.444 -10.545 46 HB2 PRO 6 HB2 PRO 6 18.977 2.831 -11.495 47 HB3 PRO 6 HB3 PRO 6 17.229 2.400 -11.505 48 HG2 PRO 6 HG2 PRO 6 18.745 4.111 -9.531 49 HG3 PRO 6 HG3 PRO 6 17.149 4.432 -10.286 50 HD2 PRO 6 HD2 PRO 6 17.436 3.355 -7.760 51 HD3 PRO 6 HD3 PRO 6 16.057 2.953 -8.827 52 H GLU 7 H GLU 7 19.607 2.011 -7.836 53 HA GLU 7 HA GLU 7 22.300 1.480 -8.989 54 HB2 GLU 7 HB2 GLU 7 21.459 3.022 -6.507 55 HB3 GLU 7 HB3 GLU 7 23.114 2.880 -7.125 56 HG2 GLU 7 HG2 GLU 7 20.770 4.125 -8.630 57 HG3 GLU 7 HG3 GLU 7 22.004 5.026 -7.742 58 H CYS 8 H CYS 8 20.274 0.778 -6.084 59 HA CYS 8 HA CYS 8 22.319 -1.054 -5.040 60 HB2 CYS 8 HB2 CYS 8 19.467 -0.518 -4.115 61 HB3 CYS 8 HB3 CYS 8 20.690 -1.455 -3.244 62 H ALA 9 H ALA 9 19.623 -1.193 -7.211 63 HA ALA 9 HA ALA 9 18.493 -2.882 -8.222 64 HB1 ALA 9 HB1 ALA 9 21.047 -4.453 -7.697 65 HB2 ALA 9 HB2 ALA 9 19.797 -4.835 -8.897 66 HB3 ALA 9 HB3 ALA 9 20.768 -3.353 -9.069 67 H SER 10 H SER 10 17.920 -2.484 -5.509 68 HA SER 10 HA SER 10 17.097 -5.212 -4.686 69 HB2 SER 10 HB2 SER 10 19.199 -4.568 -3.509 70 HB3 SER 10 HB3 SER 10 18.362 -3.145 -2.853 71 HG SER 10 HG SER 10 18.308 -4.953 -1.426 72 H ARG 11 H ARG 11 15.275 -5.183 -3.179 73 HA ARG 11 HA ARG 11 13.398 -3.060 -3.954 74 HB2 ARG 11 HB2 ARG 11 13.054 -5.662 -2.427 75 HB3 ARG 11 HB3 ARG 11 11.737 -4.544 -2.835 76 HG2 ARG 11 HG2 ARG 11 12.366 -4.762 -5.256 77 HG3 ARG 11 HG3 ARG 11 13.555 -6.005 -4.802 78 HD2 ARG 11 HD2 ARG 11 11.733 -7.359 -3.787 79 HD3 ARG 11 HD3 ARG 11 10.560 -6.112 -4.247 80 HE ARG 11 HE ARG 11 10.742 -6.741 -6.508 81 HH11 ARG 11 HH11 ARG 11 12.963 -8.597 -4.481 82 HH12 ARG 11 HH12 ARG 11 13.273 -9.802 -5.710 83 HH21 ARG 11 HH21 ARG 11 11.170 -8.307 -8.101 84 HH22 ARG 11 HH22 ARG 11 12.249 -9.641 -7.761 85 H TYR 12 H TYR 12 12.126 -1.861 -2.519 86 HA TYR 12 HA TYR 12 12.726 -1.926 0.327 87 HB2 TYR 12 HB2 TYR 12 14.449 -0.447 -0.232 88 HB3 TYR 12 HB3 TYR 12 13.461 0.408 -1.415 89 HD1 TYR 12 HD2 TYR 12 14.078 -0.074 2.203 90 HD2 TYR 12 HD1 TYR 12 11.953 2.171 -0.789 91 HE1 TYR 12 HE2 TYR 12 13.453 1.612 3.918 92 HE2 TYR 12 HE1 TYR 12 11.353 3.877 0.908 93 HH TYR 12 HH TYR 12 12.352 3.583 4.338 94 H PHE 13 H PHE 13 11.048 -1.301 1.625 95 HA PHE 13 HA PHE 13 8.588 -0.863 0.057 96 HB2 PHE 13 HB2 PHE 13 7.472 -1.960 2.089 97 HB3 PHE 13 HB3 PHE 13 8.365 -2.946 0.939 98 HD1 PHE 13 HD1 PHE 13 8.448 -1.487 4.337 99 HD2 PHE 13 HD2 PHE 13 10.408 -4.090 1.534 100 HE1 PHE 13 HE1 PHE 13 9.852 -2.396 6.166 101 HE2 PHE 13 HE2 PHE 13 11.813 -5.000 3.362 102 HZ PHE 13 HZ PHE 13 11.536 -4.150 5.682 103 H VAL 14 H VAL 14 6.860 0.329 0.673 104 HA VAL 14 HA VAL 14 7.102 2.129 2.991 105 HB VAL 14 HB VAL 14 6.629 4.114 1.648 106 HG11 VAL 14 HG11 VAL 14 9.062 2.669 0.523 107 HG12 VAL 14 HG12 VAL 14 8.789 4.423 0.572 108 HG13 VAL 14 HG13 VAL 14 9.009 3.520 2.088 109 HG21 VAL 14 HG21 VAL 14 6.967 2.285 -0.768 110 HG22 VAL 14 HG22 VAL 14 5.452 3.053 -0.237 111 HG23 VAL 14 HG23 VAL 14 6.797 4.054 -0.817 112 H ASP 15 H ASP 15 5.004 3.244 3.408 113 HA ASP 15 HA ASP 15 2.788 1.476 3.007 114 HB2 ASP 15 HB2 ASP 15 2.926 4.342 4.005 115 HB3 ASP 15 HB3 ASP 15 1.466 3.344 4.018 116 H ASP 16 H ASP 16 0.791 1.881 1.880 117 HA ASP 16 HA ASP 16 1.286 2.659 -0.816 118 HB2 ASP 16 HB2 ASP 16 -1.289 2.051 0.666 119 HB3 ASP 16 HB3 ASP 16 -1.182 2.290 -1.083 120 H SER 17 H SER 17 0.712 4.637 1.860 121 HA SER 17 HA SER 17 -0.871 6.657 0.475 122 HB2 SER 17 HB2 SER 17 -1.094 6.298 2.883 123 HB3 SER 17 HB3 SER 17 0.626 6.671 3.124 124 HG SER 17 HG SER 17 -0.763 8.464 3.517 125 H LYS 18 H LYS 18 2.481 5.788 0.603 126 HA LYS 18 HA LYS 18 3.556 8.465 0.375 127 HB2 LYS 18 HB2 LYS 18 4.647 5.664 0.193 128 HB3 LYS 18 HB3 LYS 18 5.614 7.001 -0.444 129 HG2 LYS 18 HG2 LYS 18 6.193 6.530 1.897 130 HG3 LYS 18 HG3 LYS 18 5.530 8.168 1.695 131 HD2 LYS 18 HD2 LYS 18 3.366 7.455 2.564 132 HD3 LYS 18 HD3 LYS 18 3.904 5.762 2.612 133 HE2 LYS 18 HE2 LYS 18 3.974 6.787 4.840 134 HE3 LYS 18 HE3 LYS 18 5.602 6.338 4.291 135 HZ1 LYS 18 HZ1 LYS 18 5.962 8.629 3.700 136 HZ2 LYS 18 HZ2 LYS 18 4.435 9.039 4.165 137 HZ3 LYS 18 HZ3 LYS 18 5.531 8.532 5.282 138 H VAL 19 H VAL 19 1.882 6.516 -1.840 139 HA VAL 19 HA VAL 19 2.882 8.159 -4.091 140 HB VAL 19 HB VAL 19 2.636 5.142 -4.265 141 HG11 VAL 19 HG11 VAL 19 3.688 7.254 -6.199 142 HG12 VAL 19 HG12 VAL 19 3.765 5.499 -6.458 143 HG13 VAL 19 HG13 VAL 19 2.187 6.312 -6.386 144 HG21 VAL 19 HG21 VAL 19 5.125 6.887 -4.096 145 HG22 VAL 19 HG22 VAL 19 4.593 5.671 -2.905 146 HG23 VAL 19 HG23 VAL 19 5.113 5.163 -4.519 147 H GLY 20 H GLY 20 1.373 8.564 -5.709 148 HA2 GLY 20 HA2 GLY 20 -1.354 7.422 -5.291 149 HA3 GLY 20 HA3 GLY 20 -1.090 9.145 -5.591 150 HA PRO 21 HA PRO 21 -1.607 6.813 -9.633 151 HB2 PRO 21 HB2 PRO 21 -3.920 8.037 -10.467 152 HB3 PRO 21 HB3 PRO 21 -3.905 6.585 -9.413 153 HG2 PRO 21 HG2 PRO 21 -4.270 9.480 -8.627 154 HG3 PRO 21 HG3 PRO 21 -5.152 8.041 -8.028 155 HD2 PRO 21 HD2 PRO 21 -3.054 9.215 -6.675 156 HD3 PRO 21 HD3 PRO 21 -3.421 7.465 -6.569 157 H ASP 22 H ASP 22 -1.547 10.108 -8.479 158 HA ASP 22 HA ASP 22 -0.933 11.221 -11.114 159 HB2 ASP 22 HB2 ASP 22 -0.608 13.345 -9.778 160 HB3 ASP 22 HB3 ASP 22 -2.227 12.650 -9.780 161 H GLY 23 H GLY 23 0.774 9.390 -8.965 162 HA2 GLY 23 HA2 GLY 23 3.012 8.821 -9.083 163 HA3 GLY 23 HA3 GLY 23 3.336 10.220 -10.120 164 H ARG 24 H ARG 24 4.922 9.346 -7.877 165 HA ARG 24 HA ARG 24 5.079 11.848 -6.386 166 HB2 ARG 24 HB2 ARG 24 3.350 10.083 -5.320 167 HB3 ARG 24 HB3 ARG 24 4.839 9.360 -4.695 168 HG2 ARG 24 HG2 ARG 24 4.009 12.273 -4.311 169 HG3 ARG 24 HG3 ARG 24 3.715 10.974 -3.142 170 HD2 ARG 24 HD2 ARG 24 6.195 10.553 -3.075 171 HD3 ARG 24 HD3 ARG 24 6.412 12.012 -4.069 172 HE ARG 24 HE ARG 24 4.915 12.977 -2.024 173 HH11 ARG 24 HH11 ARG 24 7.856 11.020 -2.111 174 HH12 ARG 24 HH12 ARG 24 8.426 11.592 -0.561 175 HH21 ARG 24 HH21 ARG 24 5.688 13.722 -0.009 176 HH22 ARG 24 HH22 ARG 24 7.215 13.139 0.615 177 H VAL 25 H VAL 25 7.211 12.208 -5.848 178 HA VAL 25 HA VAL 25 9.183 10.331 -6.798 179 HB VAL 25 HB VAL 25 9.339 12.845 -6.879 180 HG11 VAL 25 HG11 VAL 25 10.116 12.506 -3.947 181 HG12 VAL 25 HG12 VAL 25 10.180 14.007 -4.895 182 HG13 VAL 25 HG13 VAL 25 8.610 13.263 -4.523 183 HG21 VAL 25 HG21 VAL 25 11.643 11.380 -5.528 184 HG22 VAL 25 HG22 VAL 25 11.286 11.368 -7.270 185 HG23 VAL 25 HG23 VAL 25 11.752 12.887 -6.471 186 H VAL 26 H VAL 26 10.826 9.247 -5.618 187 HA VAL 26 HA VAL 26 10.332 8.937 -2.715 188 HB VAL 26 HB VAL 26 10.379 6.590 -2.792 189 HG11 VAL 26 HG11 VAL 26 8.212 7.581 -3.530 190 HG12 VAL 26 HG12 VAL 26 8.746 7.441 -5.221 191 HG13 VAL 26 HG13 VAL 26 8.506 5.982 -4.245 192 HG21 VAL 26 HG21 VAL 26 12.206 6.292 -4.420 193 HG22 VAL 26 HG22 VAL 26 10.806 5.290 -4.856 194 HG23 VAL 26 HG23 VAL 26 11.122 6.793 -5.741 195 H ARG 27 H ARG 27 12.204 7.626 -1.677 196 HA ARG 27 HA ARG 27 14.776 8.301 -2.995 197 HB2 ARG 27 HB2 ARG 27 15.637 9.253 -0.913 198 HB3 ARG 27 HB3 ARG 27 14.230 10.166 -1.493 199 HG2 ARG 27 HG2 ARG 27 12.779 8.957 0.119 200 HG3 ARG 27 HG3 ARG 27 14.191 8.038 0.697 201 HD2 ARG 27 HD2 ARG 27 15.301 10.169 1.322 202 HD3 ARG 27 HD3 ARG 27 13.864 11.061 0.798 203 HE ARG 27 HE ARG 27 12.681 10.302 2.685 204 HH11 ARG 27 HH11 ARG 27 15.897 8.841 2.519 205 HH12 ARG 27 HH12 ARG 27 15.856 8.268 4.171 206 HH21 ARG 27 HH21 ARG 27 12.651 9.545 4.841 207 HH22 ARG 27 HH22 ARG 27 14.016 8.658 5.474 208 H CYS 28 H CYS 28 16.524 7.041 -2.395 209 HA CYS 28 HA CYS 28 15.813 4.354 -1.502 210 HB2 CYS 28 HB2 CYS 28 17.304 4.866 -3.453 211 HB3 CYS 28 HB3 CYS 28 18.500 5.533 -2.326 212 H ALA 29 H ALA 29 16.352 3.395 0.412 213 HA ALA 29 HA ALA 29 17.387 5.090 2.554 214 HB1 ALA 29 HB1 ALA 29 15.552 3.476 2.943 215 HB2 ALA 29 HB2 ALA 29 16.628 2.141 2.472 216 HB3 ALA 29 HB3 ALA 29 16.975 3.087 3.939 217 H SER 30 H SER 30 18.826 3.228 0.084 218 HA SER 30 HA SER 30 21.079 2.414 1.845 219 HB2 SER 30 HB2 SER 30 19.955 1.224 -0.700 220 HB3 SER 30 HB3 SER 30 21.516 0.744 0.003 221 HG SER 30 HG SER 30 19.777 -0.567 0.730 222 H CYS 31 H CYS 31 20.282 4.495 -0.854 223 HA CYS 31 HA CYS 31 23.124 5.251 -0.896 224 HB2 CYS 31 HB2 CYS 31 23.429 5.056 -3.256 225 HB3 CYS 31 HB3 CYS 31 22.848 3.493 -2.646 226 H GLY 32 H GLY 32 19.900 6.186 -0.828 227 HA2 GLY 32 HA2 GLY 32 19.102 8.322 -0.541 228 HA3 GLY 32 HA3 GLY 32 20.725 8.963 -0.874 229 H ASN 33 H ASN 33 19.957 6.883 -3.390 230 HA ASN 33 HA ASN 33 19.641 8.917 -5.345 231 HB2 ASN 33 HB2 ASN 33 20.467 6.557 -5.672 232 HB3 ASN 33 HB3 ASN 33 18.800 5.995 -5.475 233 HD21 ASN 33 HD22 ASN 33 18.630 5.159 -7.597 234 HD22 ASN 33 HD21 ASN 33 18.566 6.200 -8.998 235 H ARG 34 H ARG 34 17.766 9.452 -6.640 236 HA ARG 34 HA ARG 34 15.161 8.864 -5.334 237 HB2 ARG 34 HB2 ARG 34 16.128 11.624 -6.173 238 HB3 ARG 34 HB3 ARG 34 14.516 11.230 -5.546 239 HG2 ARG 34 HG2 ARG 34 15.564 10.414 -3.432 240 HG3 ARG 34 HG3 ARG 34 17.158 10.894 -4.052 241 HD2 ARG 34 HD2 ARG 34 14.794 12.768 -3.636 242 HD3 ARG 34 HD3 ARG 34 16.179 12.607 -2.540 243 HE ARG 34 HE ARG 34 16.076 14.062 -5.055 244 HH11 ARG 34 HH11 ARG 34 18.224 12.338 -2.826 245 HH12 ARG 34 HH12 ARG 34 19.643 13.223 -3.328 246 HH21 ARG 34 HH21 ARG 34 17.955 15.188 -5.702 247 HH22 ARG 34 HH22 ARG 34 19.493 14.818 -4.964 248 H TRP 35 H TRP 35 13.386 8.820 -6.683 249 HA TRP 35 HA TRP 35 13.554 9.646 -9.469 250 HB2 TRP 35 HB2 TRP 35 13.178 7.438 -10.415 251 HB3 TRP 35 HB3 TRP 35 14.710 7.462 -9.542 252 HD1 TRP 35 HD1 TRP 35 11.279 5.877 -9.548 253 HE1 TRP 35 HE1 TRP 35 11.141 3.986 -7.847 254 HE3 TRP 35 HE3 TRP 35 15.761 6.597 -7.186 255 HZ2 TRP 35 HZ2 TRP 35 12.774 2.898 -5.722 256 HZ3 TRP 35 HZ3 TRP 35 16.441 5.098 -5.340 257 HH2 TRP 35 HH2 TRP 35 14.960 3.254 -4.599 258 H THR 36 H THR 36 11.429 9.399 -10.540 259 HA THR 36 HA THR 36 9.275 9.722 -8.647 260 HB THR 36 HB THR 36 8.822 9.517 -11.599 261 HG1 THR 36 HG1 THR 36 9.497 11.666 -11.742 262 HG21 THR 36 HG21 THR 36 7.193 11.310 -11.065 263 HG22 THR 36 HG22 THR 36 6.911 9.867 -10.073 264 HG23 THR 36 HG23 THR 36 7.724 11.286 -9.364 265 H ALA 37 H ALA 37 7.598 8.417 -8.110 266 HA ALA 37 HA ALA 37 7.511 5.725 -9.389 267 HB1 ALA 37 HB1 ALA 37 8.397 5.674 -7.071 268 HB2 ALA 37 HB2 ALA 37 6.917 6.486 -6.502 269 HB3 ALA 37 HB3 ALA 37 6.822 4.855 -7.202 270 H PHE 38 H PHE 38 5.310 4.712 -9.250 271 HA PHE 38 HA PHE 38 3.104 6.581 -8.864 272 HB2 PHE 38 HB2 PHE 38 2.167 5.939 -11.173 273 HB3 PHE 38 HB3 PHE 38 3.385 7.209 -11.026 274 HD1 PHE 38 HD2 PHE 38 2.842 3.682 -12.052 275 HD2 PHE 38 HD1 PHE 38 5.558 7.016 -11.984 276 HE1 PHE 38 HE2 PHE 38 4.308 2.518 -13.683 277 HE2 PHE 38 HE1 PHE 38 7.029 5.849 -13.611 278 HZ PHE 38 HZ PHE 38 6.401 3.607 -14.465 279 H LYS 39 H LYS 39 1.062 5.724 -8.602 280 HA LYS 39 HA LYS 39 1.109 3.009 -7.546 281 HB2 LYS 39 HB2 LYS 39 -0.038 4.796 -6.363 282 HB3 LYS 39 HB3 LYS 39 -1.082 5.106 -7.765 283 HG2 LYS 39 HG2 LYS 39 -2.208 3.026 -7.538 284 HG3 LYS 39 HG3 LYS 39 -0.984 2.387 -6.412 285 HD2 LYS 39 HD2 LYS 39 -2.761 4.779 -5.801 286 HD3 LYS 39 HD3 LYS 39 -3.132 3.113 -5.302 287 HE2 LYS 39 HE2 LYS 39 -0.957 2.995 -4.108 288 HE3 LYS 39 HE3 LYS 39 -0.633 4.681 -4.546 289 HZ1 LYS 39 HZ1 LYS 39 -2.887 3.744 -2.908 290 HZ2 LYS 39 HZ2 LYS 39 -1.548 4.521 -2.358 291 HZ3 LYS 39 HZ3 LYS 39 -2.607 5.310 -3.343 292 H ASP 40 H ASP 40 -0.407 1.338 -8.126 293 HA ASP 40 HA ASP 40 -1.597 1.471 -10.819 294 HB2 ASP 40 HB2 ASP 40 0.821 0.756 -11.052 295 HB3 ASP 40 HB3 ASP 40 0.457 -0.642 -10.032 296 H GLU 41 H GLU 41 -2.417 1.258 -7.914 297 HA GLU 41 HA GLU 41 -3.238 -1.436 -7.370 298 HB2 GLU 41 HB2 GLU 41 -2.840 0.275 -5.658 299 HB3 GLU 41 HB3 GLU 41 -4.170 1.265 -6.317 300 HG2 GLU 41 HG2 GLU 41 -5.788 -0.462 -5.757 301 HG3 GLU 41 HG3 GLU 41 -4.487 -1.540 -5.208 302 H ALA 42 H ALA 42 -4.496 1.093 -9.414 303 HA ALA 42 HA ALA 42 -6.761 -0.554 -10.193 304 HB1 ALA 42 HB1 ALA 42 -8.449 1.189 -9.675 305 HB2 ALA 42 HB2 ALA 42 -7.677 0.569 -8.197 306 HB3 ALA 42 HB3 ALA 42 -7.197 2.148 -8.850 307 H GLU 43 H GLU 43 -7.698 0.163 -12.176 308 HA GLU 43 HA GLU 43 -6.593 2.534 -13.496 309 HB2 GLU 43 HB2 GLU 43 -5.656 -0.233 -13.936 310 HB3 GLU 43 HB3 GLU 43 -6.219 0.552 -15.418 311 HG2 GLU 43 HG2 GLU 43 -4.142 1.674 -13.484 312 HG3 GLU 43 HG3 GLU 43 -3.787 0.882 -15.027 313 H LEU 44 H LEU 44 -7.607 2.796 -15.680 314 HA LEU 44 HA LEU 44 -10.456 2.474 -15.467 315 HB2 LEU 44 HB2 LEU 44 -8.550 3.492 -17.600 316 HB3 LEU 44 HB3 LEU 44 -10.283 3.313 -17.923 317 HG LEU 44 HG LEU 44 -10.781 4.771 -15.944 318 HD11 LEU 44 HD11 LEU 44 -7.755 5.172 -15.978 319 HD12 LEU 44 HD12 LEU 44 -8.896 6.242 -15.142 320 HD13 LEU 44 HD13 LEU 44 -8.736 4.552 -14.623 321 HD21 LEU 44 HD21 LEU 44 -8.957 5.955 -18.077 322 HD22 LEU 44 HD22 LEU 44 -10.699 5.634 -18.261 323 HD23 LEU 44 HD23 LEU 44 -10.140 6.857 -17.100 324 H GLU 45 H GLU 45 -11.854 1.378 -17.009 325 HA GLU 45 HA GLU 45 -11.074 -1.350 -17.423 326 HB2 GLU 45 HB2 GLU 45 -13.362 -0.690 -16.910 327 HB3 GLU 45 HB3 GLU 45 -13.463 0.263 -18.402 328 HG2 GLU 45 HG2 GLU 45 -13.202 -1.760 -19.764 329 HG3 GLU 45 HG3 GLU 45 -12.983 -2.743 -18.304 330 H LEU 46 H LEU 46 -10.729 -2.501 -19.358 331 HA LEU 46 HA LEU 46 -10.511 -1.047 -21.890 332 HB2 LEU 46 HB2 LEU 46 -8.355 -0.554 -20.822 333 HB3 LEU 46 HB3 LEU 46 -8.101 -2.276 -20.495 334 HG LEU 46 HG LEU 46 -8.071 -2.723 -22.952 335 HD11 LEU 46 HD11 LEU 46 -8.203 0.324 -23.154 336 HD12 LEU 46 HD12 LEU 46 -7.862 -0.794 -24.498 337 HD13 LEU 46 HD13 LEU 46 -9.451 -0.816 -23.711 338 HD21 LEU 46 HD21 LEU 46 -6.143 -0.565 -22.011 339 HD22 LEU 46 HD22 LEU 46 -5.982 -2.309 -21.702 340 HD23 LEU 46 HD23 LEU 46 -5.875 -1.686 -23.364 341 H VAL 47 H VAL 47 -10.436 -2.464 -23.694 342 HA VAL 47 HA VAL 47 -11.785 -4.941 -23.285 343 HB VAL 47 HB VAL 47 -11.628 -5.204 -25.693 344 HG11 VAL 47 HG11 VAL 47 -11.960 -2.253 -24.971 345 HG12 VAL 47 HG12 VAL 47 -12.618 -3.070 -26.400 346 HG13 VAL 47 HG13 VAL 47 -13.208 -3.504 -24.779 347 HG21 VAL 47 HG21 VAL 47 -9.265 -4.606 -26.025 348 HG22 VAL 47 HG22 VAL 47 -10.310 -3.617 -27.064 349 HG23 VAL 47 HG23 VAL 47 -9.618 -2.912 -25.591 350 HA PRO 48 HA PRO 48 -8.410 -7.695 -22.681 351 HB2 PRO 48 HB2 PRO 48 -9.515 -10.071 -23.489 352 HB3 PRO 48 HB3 PRO 48 -10.027 -9.220 -21.993 353 HG2 PRO 48 HG2 PRO 48 -11.354 -9.207 -24.716 354 HG3 PRO 48 HG3 PRO 48 -12.116 -9.366 -23.096 355 HD2 PRO 48 HD2 PRO 48 -11.995 -6.998 -24.490 356 HD3 PRO 48 HD3 PRO 48 -11.966 -7.069 -22.698 357 H ARG 49 H ARG 49 -9.850 -7.235 -25.851 358 HA ARG 49 HA ARG 49 -7.285 -7.699 -27.142 359 HB2 ARG 49 HB2 ARG 49 -8.111 -9.411 -28.707 360 HB3 ARG 49 HB3 ARG 49 -8.127 -10.012 -27.046 361 HG2 ARG 49 HG2 ARG 49 -10.568 -9.504 -26.896 362 HG3 ARG 49 HG3 ARG 49 -10.542 -8.961 -28.589 363 HD2 ARG 49 HD2 ARG 49 -9.761 -11.191 -29.301 364 HD3 ARG 49 HD3 ARG 49 -9.767 -11.747 -27.620 365 HE ARG 49 HE ARG 49 -12.101 -11.248 -29.358 366 HH11 ARG 49 HH11 ARG 49 -10.879 -11.991 -26.123 367 HH12 ARG 49 HH12 ARG 49 -12.412 -12.606 -25.554 368 HH21 ARG 49 HH21 ARG 49 -14.096 -12.041 -28.588 369 HH22 ARG 49 HH22 ARG 49 -14.236 -12.641 -26.952 Start of MODEL 13 1 H1 MET 1 H1 MET 1 3.724 -0.354 -0.051 2 H2 MET 1 H2 MET 1 3.380 -1.870 -0.608 3 H3 MET 1 H3 MET 1 2.405 -0.603 -0.997 4 HA MET 1 HA MET 1 3.765 -1.205 -2.854 5 HB2 MET 1 HB2 MET 1 3.131 1.073 -2.838 6 HB3 MET 1 HB3 MET 1 4.264 1.468 -1.526 7 HG2 MET 1 HG2 MET 1 6.174 1.063 -2.980 8 HG3 MET 1 HG3 MET 1 5.109 0.533 -4.290 9 HE1 MET 1 HE1 MET 1 2.812 2.495 -4.546 10 HE2 MET 1 HE2 MET 1 3.512 3.732 -5.622 11 HE3 MET 1 HE3 MET 1 3.875 2.010 -5.887 12 H ILE 2 H ILE 2 5.767 -1.678 -3.761 13 HA ILE 2 HA ILE 2 8.146 -1.233 -2.075 14 HB ILE 2 HB ILE 2 7.161 -3.664 -1.955 15 HG12 ILE 2 HG12 ILE 2 10.101 -3.288 -2.636 16 HG13 ILE 2 HG13 ILE 2 9.359 -2.741 -1.114 17 HG21 ILE 2 HG21 ILE 2 8.780 -3.844 -4.533 18 HG22 ILE 2 HG22 ILE 2 7.984 -5.179 -3.680 19 HG23 ILE 2 HG23 ILE 2 6.999 -3.930 -4.461 20 HD11 ILE 2 HD11 ILE 2 8.621 -5.045 -0.626 21 HD12 ILE 2 HD12 ILE 2 9.433 -5.612 -2.112 22 HD13 ILE 2 HD13 ILE 2 10.382 -4.913 -0.773 23 H LEU 3 H LEU 3 9.997 -0.749 -3.273 24 HA LEU 3 HA LEU 3 9.648 -0.528 -6.225 25 HB2 LEU 3 HB2 LEU 3 10.595 1.606 -4.282 26 HB3 LEU 3 HB3 LEU 3 10.729 1.735 -6.046 27 HG LEU 3 HG LEU 3 8.068 1.347 -4.589 28 HD11 LEU 3 HD11 LEU 3 7.740 3.756 -4.964 29 HD12 LEU 3 HD12 LEU 3 9.157 3.466 -3.934 30 HD13 LEU 3 HD13 LEU 3 9.374 3.881 -5.655 31 HD21 LEU 3 HD21 LEU 3 8.067 0.677 -6.976 32 HD22 LEU 3 HD22 LEU 3 7.155 2.184 -6.741 33 HD23 LEU 3 HD23 LEU 3 8.800 2.245 -7.409 34 H THR 4 H THR 4 11.576 -0.644 -7.435 35 HA THR 4 HA THR 4 13.864 -1.709 -5.914 36 HB THR 4 HB THR 4 13.688 -1.841 -8.894 37 HG1 THR 4 HG1 THR 4 12.542 -3.763 -8.647 38 HG21 THR 4 HG21 THR 4 14.836 -3.686 -6.751 39 HG22 THR 4 HG22 THR 4 14.965 -3.925 -8.504 40 HG23 THR 4 HG23 THR 4 15.773 -2.539 -7.741 41 H CYS 5 H CYS 5 15.836 -0.804 -5.809 42 HA CYS 5 HA CYS 5 16.147 1.910 -6.820 43 HB2 CYS 5 HB2 CYS 5 16.973 1.211 -4.598 44 HB3 CYS 5 HB3 CYS 5 18.058 0.035 -5.378 45 HA PRO 6 HA PRO 6 18.149 0.509 -10.574 46 HB2 PRO 6 HB2 PRO 6 19.082 2.906 -11.491 47 HB3 PRO 6 HB3 PRO 6 17.342 2.471 -11.531 48 HG2 PRO 6 HG2 PRO 6 18.809 4.163 -9.511 49 HG3 PRO 6 HG3 PRO 6 17.225 4.485 -10.291 50 HD2 PRO 6 HD2 PRO 6 17.465 3.391 -7.773 51 HD3 PRO 6 HD3 PRO 6 16.113 2.980 -8.878 52 H GLU 7 H GLU 7 19.656 2.018 -7.820 53 HA GLU 7 HA GLU 7 22.371 1.493 -8.923 54 HB2 GLU 7 HB2 GLU 7 21.493 3.055 -6.464 55 HB3 GLU 7 HB3 GLU 7 23.155 2.909 -7.054 56 HG2 GLU 7 HG2 GLU 7 20.837 4.146 -8.603 57 HG3 GLU 7 HG3 GLU 7 22.056 5.053 -7.700 58 H CYS 8 H CYS 8 20.249 0.763 -6.103 59 HA CYS 8 HA CYS 8 22.292 -1.050 -5.008 60 HB2 CYS 8 HB2 CYS 8 19.440 -0.495 -4.085 61 HB3 CYS 8 HB3 CYS 8 20.661 -1.448 -3.223 62 H ALA 9 H ALA 9 19.660 -1.189 -7.234 63 HA ALA 9 HA ALA 9 18.553 -2.873 -8.274 64 HB1 ALA 9 HB1 ALA 9 20.848 -3.328 -9.050 65 HB2 ALA 9 HB2 ALA 9 21.096 -4.424 -7.667 66 HB3 ALA 9 HB3 ALA 9 19.887 -4.816 -8.918 67 H SER 10 H SER 10 17.974 -2.535 -5.496 68 HA SER 10 HA SER 10 17.085 -5.290 -4.806 69 HB2 SER 10 HB2 SER 10 18.438 -3.271 -2.974 70 HB3 SER 10 HB3 SER 10 17.590 -4.732 -2.416 71 HG SER 10 HG SER 10 19.853 -4.590 -4.124 72 H ARG 11 H ARG 11 15.328 -5.269 -3.155 73 HA ARG 11 HA ARG 11 13.330 -3.292 -4.009 74 HB2 ARG 11 HB2 ARG 11 13.094 -5.674 -2.131 75 HB3 ARG 11 HB3 ARG 11 11.758 -4.768 -2.856 76 HG2 ARG 11 HG2 ARG 11 13.826 -6.409 -4.389 77 HG3 ARG 11 HG3 ARG 11 12.159 -6.892 -4.047 78 HD2 ARG 11 HD2 ARG 11 11.337 -4.921 -5.315 79 HD3 ARG 11 HD3 ARG 11 13.010 -4.480 -5.706 80 HE ARG 11 HE ARG 11 13.130 -6.811 -6.791 81 HH11 ARG 11 HH11 ARG 11 10.178 -4.861 -6.645 82 HH12 ARG 11 HH12 ARG 11 9.485 -5.596 -8.074 83 HH21 ARG 11 HH21 ARG 11 12.207 -7.737 -8.650 84 HH22 ARG 11 HH22 ARG 11 10.633 -7.221 -9.207 85 H TYR 12 H TYR 12 12.096 -2.009 -2.618 86 HA TYR 12 HA TYR 12 12.757 -1.923 0.216 87 HB2 TYR 12 HB2 TYR 12 14.432 -0.439 -0.394 88 HB3 TYR 12 HB3 TYR 12 13.447 0.314 -1.651 89 HD1 TYR 12 HD1 TYR 12 14.152 0.200 1.964 90 HD2 TYR 12 HD2 TYR 12 11.787 2.009 -1.135 91 HE1 TYR 12 HE1 TYR 12 13.449 1.983 3.543 92 HE2 TYR 12 HE2 TYR 12 11.102 3.811 0.419 93 HH TYR 12 HH TYR 12 11.254 4.636 2.558 94 H PHE 13 H PHE 13 11.091 -1.397 1.517 95 HA PHE 13 HA PHE 13 8.584 -1.022 0.026 96 HB2 PHE 13 HB2 PHE 13 7.557 -1.986 2.174 97 HB3 PHE 13 HB3 PHE 13 8.405 -3.030 1.040 98 HD1 PHE 13 HD2 PHE 13 8.694 -1.301 4.319 99 HD2 PHE 13 HD1 PHE 13 10.405 -4.200 1.648 100 HE1 PHE 13 HE2 PHE 13 10.185 -2.088 6.133 101 HE2 PHE 13 HE1 PHE 13 11.902 -4.988 3.457 102 HZ PHE 13 HZ PHE 13 11.789 -3.939 5.709 103 H VAL 14 H VAL 14 6.855 0.208 0.665 104 HA VAL 14 HA VAL 14 7.132 2.034 2.909 105 HB VAL 14 HB VAL 14 8.404 3.134 1.036 106 HG11 VAL 14 HG11 VAL 14 6.990 2.331 -0.837 107 HG12 VAL 14 HG12 VAL 14 5.641 3.328 -0.245 108 HG13 VAL 14 HG13 VAL 14 7.130 4.106 -0.822 109 HG21 VAL 14 HG21 VAL 14 7.289 4.390 2.893 110 HG22 VAL 14 HG22 VAL 14 7.423 5.318 1.381 111 HG23 VAL 14 HG23 VAL 14 5.863 4.603 1.846 112 H ASP 15 H ASP 15 5.127 3.254 3.310 113 HA ASP 15 HA ASP 15 2.830 1.619 2.900 114 HB2 ASP 15 HB2 ASP 15 3.114 4.474 3.884 115 HB3 ASP 15 HB3 ASP 15 1.605 3.552 3.918 116 H ASP 16 H ASP 16 0.856 2.078 1.799 117 HA ASP 16 HA ASP 16 1.293 2.953 -0.886 118 HB2 ASP 16 HB2 ASP 16 -1.224 2.245 0.655 119 HB3 ASP 16 HB3 ASP 16 -1.201 2.620 -1.075 120 H SER 17 H SER 17 0.773 4.804 1.904 121 HA SER 17 HA SER 17 -0.783 6.921 0.642 122 HB2 SER 17 HB2 SER 17 -0.906 6.479 3.059 123 HB3 SER 17 HB3 SER 17 0.834 6.793 3.220 124 HG SER 17 HG SER 17 -1.177 8.626 2.421 125 H LYS 18 H LYS 18 2.518 5.922 0.547 126 HA LYS 18 HA LYS 18 3.764 8.512 0.349 127 HB2 LYS 18 HB2 LYS 18 4.958 6.530 1.086 128 HB3 LYS 18 HB3 LYS 18 4.611 5.701 -0.445 129 HG2 LYS 18 HG2 LYS 18 6.913 6.543 -0.375 130 HG3 LYS 18 HG3 LYS 18 5.984 7.328 -1.669 131 HD2 LYS 18 HD2 LYS 18 5.623 9.304 -0.196 132 HD3 LYS 18 HD3 LYS 18 6.555 8.502 1.089 133 HE2 LYS 18 HE2 LYS 18 8.526 8.418 -0.398 134 HE3 LYS 18 HE3 LYS 18 7.593 9.188 -1.693 135 HZ1 LYS 18 HZ1 LYS 18 8.909 10.793 -0.528 136 HZ2 LYS 18 HZ2 LYS 18 7.316 11.100 -0.259 137 HZ3 LYS 18 HZ3 LYS 18 8.221 10.394 0.916 138 H VAL 19 H VAL 19 1.882 6.592 -1.870 139 HA VAL 19 HA VAL 19 2.678 8.401 -4.075 140 HB VAL 19 HB VAL 19 2.588 5.384 -4.397 141 HG11 VAL 19 HG11 VAL 19 3.431 7.666 -6.236 142 HG12 VAL 19 HG12 VAL 19 3.656 5.936 -6.584 143 HG13 VAL 19 HG13 VAL 19 2.014 6.601 -6.444 144 HG21 VAL 19 HG21 VAL 19 5.067 5.617 -4.750 145 HG22 VAL 19 HG22 VAL 19 4.956 7.289 -4.154 146 HG23 VAL 19 HG23 VAL 19 4.555 5.926 -3.077 147 H GLY 20 H GLY 20 1.121 8.704 -5.686 148 HA2 GLY 20 HA2 GLY 20 -1.553 7.461 -5.177 149 HA3 GLY 20 HA3 GLY 20 -1.358 9.191 -5.513 150 HA PRO 21 HA PRO 21 -1.989 6.827 -9.495 151 HB2 PRO 21 HB2 PRO 21 -4.161 8.271 -10.395 152 HB3 PRO 21 HB3 PRO 21 -4.304 6.850 -9.308 153 HG2 PRO 21 HG2 PRO 21 -4.349 9.789 -8.585 154 HG3 PRO 21 HG3 PRO 21 -5.402 8.470 -7.978 155 HD2 PRO 21 HD2 PRO 21 -3.214 9.417 -6.602 156 HD3 PRO 21 HD3 PRO 21 -3.741 7.707 -6.497 157 H ASP 22 H ASP 22 -1.570 10.131 -8.473 158 HA ASP 22 HA ASP 22 -0.854 11.074 -11.154 159 HB2 ASP 22 HB2 ASP 22 -0.390 13.232 -9.917 160 HB3 ASP 22 HB3 ASP 22 -2.059 12.656 -9.928 161 H GLY 23 H GLY 23 0.684 9.270 -8.818 162 HA2 GLY 23 HA2 GLY 23 2.873 8.567 -8.739 163 HA3 GLY 23 HA3 GLY 23 3.298 9.741 -9.999 164 H ARG 24 H ARG 24 4.901 9.203 -7.741 165 HA ARG 24 HA ARG 24 5.185 11.887 -6.651 166 HB2 ARG 24 HB2 ARG 24 3.484 10.810 -5.134 167 HB3 ARG 24 HB3 ARG 24 4.660 9.523 -4.804 168 HG2 ARG 24 HG2 ARG 24 4.671 11.171 -2.995 169 HG3 ARG 24 HG3 ARG 24 6.219 11.203 -3.847 170 HD2 ARG 24 HD2 ARG 24 5.504 13.203 -5.118 171 HD3 ARG 24 HD3 ARG 24 3.907 13.128 -4.359 172 HE ARG 24 HE ARG 24 6.438 14.047 -3.146 173 HH11 ARG 24 HH11 ARG 24 3.056 13.133 -2.647 174 HH12 ARG 24 HH12 ARG 24 2.937 13.967 -1.116 175 HH21 ARG 24 HH21 ARG 24 6.243 15.140 -1.145 176 HH22 ARG 24 HH22 ARG 24 4.731 15.091 -0.267 177 H VAL 25 H VAL 25 7.306 12.230 -5.859 178 HA VAL 25 HA VAL 25 9.270 10.321 -6.801 179 HB VAL 25 HB VAL 25 9.493 12.812 -6.936 180 HG11 VAL 25 HG11 VAL 25 10.104 12.554 -3.959 181 HG12 VAL 25 HG12 VAL 25 10.263 14.019 -4.948 182 HG13 VAL 25 HG13 VAL 25 8.652 13.326 -4.652 183 HG21 VAL 25 HG21 VAL 25 11.888 12.831 -6.400 184 HG22 VAL 25 HG22 VAL 25 11.700 11.361 -5.418 185 HG23 VAL 25 HG23 VAL 25 11.433 11.297 -7.178 186 H VAL 26 H VAL 26 10.829 9.194 -5.617 187 HA VAL 26 HA VAL 26 10.303 8.894 -2.711 188 HB VAL 26 HB VAL 26 10.424 6.540 -2.812 189 HG11 VAL 26 HG11 VAL 26 8.237 7.505 -3.517 190 HG12 VAL 26 HG12 VAL 26 8.762 7.410 -5.218 191 HG13 VAL 26 HG13 VAL 26 8.552 5.927 -4.269 192 HG21 VAL 26 HG21 VAL 26 12.243 6.314 -4.461 193 HG22 VAL 26 HG22 VAL 26 10.874 5.279 -4.894 194 HG23 VAL 26 HG23 VAL 26 11.130 6.804 -5.765 195 H ARG 27 H ARG 27 12.186 7.587 -1.659 196 HA ARG 27 HA ARG 27 14.778 8.346 -2.887 197 HB2 ARG 27 HB2 ARG 27 14.179 10.190 -1.402 198 HB3 ARG 27 HB3 ARG 27 13.847 9.048 -0.081 199 HG2 ARG 27 HG2 ARG 27 16.219 8.339 -0.082 200 HG3 ARG 27 HG3 ARG 27 16.550 9.436 -1.441 201 HD2 ARG 27 HD2 ARG 27 17.242 10.483 0.649 202 HD3 ARG 27 HD3 ARG 27 15.866 11.359 -0.033 203 HE ARG 27 HE ARG 27 14.553 10.731 1.773 204 HH11 ARG 27 HH11 ARG 27 17.524 8.809 1.748 205 HH12 ARG 27 HH12 ARG 27 17.242 8.144 3.340 206 HH21 ARG 27 HH21 ARG 27 14.211 9.842 3.848 207 HH22 ARG 27 HH22 ARG 27 15.373 8.724 4.523 208 H CYS 28 H CYS 28 16.445 6.973 -2.485 209 HA CYS 28 HA CYS 28 15.783 4.333 -1.487 210 HB2 CYS 28 HB2 CYS 28 17.260 4.827 -3.453 211 HB3 CYS 28 HB3 CYS 28 18.454 5.526 -2.341 212 H ALA 29 H ALA 29 16.269 3.444 0.465 213 HA ALA 29 HA ALA 29 17.351 5.168 2.556 214 HB1 ALA 29 HB1 ALA 29 16.518 2.240 2.551 215 HB2 ALA 29 HB2 ALA 29 16.887 3.211 3.994 216 HB3 ALA 29 HB3 ALA 29 15.479 3.620 2.984 217 H SER 30 H SER 30 18.749 3.225 0.129 218 HA SER 30 HA SER 30 20.986 2.393 1.904 219 HB2 SER 30 HB2 SER 30 19.861 1.233 -0.661 220 HB3 SER 30 HB3 SER 30 21.418 0.731 0.042 221 HG SER 30 HG SER 30 19.676 -0.573 0.756 222 H CYS 31 H CYS 31 20.223 4.495 -0.793 223 HA CYS 31 HA CYS 31 23.058 5.263 -0.774 224 HB2 CYS 31 HB2 CYS 31 23.409 5.092 -3.132 225 HB3 CYS 31 HB3 CYS 31 22.845 3.516 -2.541 226 H GLY 32 H GLY 32 19.823 6.180 -0.779 227 HA2 GLY 32 HA2 GLY 32 19.028 8.325 -0.467 228 HA3 GLY 32 HA3 GLY 32 20.648 8.960 -0.794 229 H ASN 33 H ASN 33 19.885 6.883 -3.317 230 HA ASN 33 HA ASN 33 19.607 8.925 -5.258 231 HB2 ASN 33 HB2 ASN 33 20.437 6.578 -5.597 232 HB3 ASN 33 HB3 ASN 33 18.770 6.007 -5.440 233 HD21 ASN 33 HD22 ASN 33 18.726 5.172 -7.576 234 HD22 ASN 33 HD21 ASN 33 18.666 6.223 -8.973 235 H ARG 34 H ARG 34 17.743 9.464 -6.590 236 HA ARG 34 HA ARG 34 15.119 8.903 -5.305 237 HB2 ARG 34 HB2 ARG 34 16.067 11.631 -6.274 238 HB3 ARG 34 HB3 ARG 34 14.485 11.247 -5.572 239 HG2 ARG 34 HG2 ARG 34 15.607 10.585 -3.449 240 HG3 ARG 34 HG3 ARG 34 17.177 11.042 -4.151 241 HD2 ARG 34 HD2 ARG 34 16.308 13.349 -4.530 242 HD3 ARG 34 HD3 ARG 34 14.792 12.883 -3.741 243 HE ARG 34 HE ARG 34 17.392 12.638 -2.296 244 HH11 ARG 34 HH11 ARG 34 14.182 14.093 -2.582 245 HH12 ARG 34 HH12 ARG 34 14.238 14.816 -0.990 246 HH21 ARG 34 HH21 ARG 34 17.445 13.600 -0.229 247 HH22 ARG 34 HH22 ARG 34 16.084 14.548 0.331 248 H TRP 35 H TRP 35 13.353 8.820 -6.662 249 HA TRP 35 HA TRP 35 13.530 9.596 -9.458 250 HB2 TRP 35 HB2 TRP 35 13.165 7.386 -10.389 251 HB3 TRP 35 HB3 TRP 35 14.700 7.433 -9.528 252 HD1 TRP 35 HD1 TRP 35 11.291 5.796 -9.491 253 HE1 TRP 35 HE1 TRP 35 11.202 3.909 -7.789 254 HE3 TRP 35 HE3 TRP 35 15.799 6.573 -7.200 255 HZ2 TRP 35 HZ2 TRP 35 12.873 2.852 -5.683 256 HZ3 TRP 35 HZ3 TRP 35 16.520 5.103 -5.356 257 HH2 TRP 35 HH2 TRP 35 15.065 3.247 -4.577 258 H THR 36 H THR 36 11.422 9.312 -10.549 259 HA THR 36 HA THR 36 9.259 9.683 -8.687 260 HB THR 36 HB THR 36 8.816 9.337 -11.631 261 HG1 THR 36 HG1 THR 36 9.468 11.500 -11.863 262 HG21 THR 36 HG21 THR 36 7.691 11.192 -9.496 263 HG22 THR 36 HG22 THR 36 7.186 11.150 -11.201 264 HG23 THR 36 HG23 THR 36 6.887 9.749 -10.151 265 H ALA 37 H ALA 37 7.569 8.409 -8.127 266 HA ALA 37 HA ALA 37 7.555 5.637 -9.232 267 HB1 ALA 37 HB1 ALA 37 6.817 4.892 -7.027 268 HB2 ALA 37 HB2 ALA 37 8.372 5.740 -6.897 269 HB3 ALA 37 HB3 ALA 37 6.858 6.559 -6.418 270 H PHE 38 H PHE 38 5.403 4.576 -9.112 271 HA PHE 38 HA PHE 38 3.120 6.370 -8.863 272 HB2 PHE 38 HB2 PHE 38 2.235 5.490 -11.117 273 HB3 PHE 38 HB3 PHE 38 3.370 6.842 -11.060 274 HD1 PHE 38 HD1 PHE 38 2.977 3.288 -11.955 275 HD2 PHE 38 HD2 PHE 38 5.647 6.661 -11.874 276 HE1 PHE 38 HE1 PHE 38 4.525 2.103 -13.487 277 HE2 PHE 38 HE2 PHE 38 7.197 5.470 -13.392 278 HZ PHE 38 HZ PHE 38 6.642 3.193 -14.205 279 H LYS 39 H LYS 39 1.111 5.430 -8.521 280 HA LYS 39 HA LYS 39 1.359 2.918 -7.111 281 HB2 LYS 39 HB2 LYS 39 -0.004 4.715 -6.235 282 HB3 LYS 39 HB3 LYS 39 -1.019 4.720 -7.688 283 HG2 LYS 39 HG2 LYS 39 -1.931 2.560 -7.197 284 HG3 LYS 39 HG3 LYS 39 -0.690 2.231 -5.971 285 HD2 LYS 39 HD2 LYS 39 -2.764 4.444 -5.738 286 HD3 LYS 39 HD3 LYS 39 -2.937 2.835 -5.010 287 HE2 LYS 39 HE2 LYS 39 -0.811 3.159 -3.779 288 HE3 LYS 39 HE3 LYS 39 -0.674 4.793 -4.450 289 HZ1 LYS 39 HZ1 LYS 39 -2.849 3.833 -2.721 290 HZ2 LYS 39 HZ2 LYS 39 -1.631 4.855 -2.282 291 HZ3 LYS 39 HZ3 LYS 39 -2.755 5.338 -3.381 292 H ASP 40 H ASP 40 0.294 0.978 -7.492 293 HA ASP 40 HA ASP 40 -1.186 0.493 -9.961 294 HB2 ASP 40 HB2 ASP 40 1.237 0.596 -10.692 295 HB3 ASP 40 HB3 ASP 40 1.573 -0.750 -9.595 296 H GLU 41 H GLU 41 0.127 -0.359 -6.841 297 HA GLU 41 HA GLU 41 -0.509 -3.145 -6.831 298 HB2 GLU 41 HB2 GLU 41 1.193 -2.104 -5.415 299 HB3 GLU 41 HB3 GLU 41 -0.041 -1.116 -4.604 300 HG2 GLU 41 HG2 GLU 41 -1.091 -3.072 -3.655 301 HG3 GLU 41 HG3 GLU 41 -0.069 -4.154 -4.629 302 H ALA 42 H ALA 42 -2.501 -0.311 -6.559 303 HA ALA 42 HA ALA 42 -4.735 -2.002 -5.639 304 HB1 ALA 42 HB1 ALA 42 -3.755 -0.952 -3.621 305 HB2 ALA 42 HB2 ALA 42 -3.989 0.656 -4.350 306 HB3 ALA 42 HB3 ALA 42 -5.399 -0.346 -3.941 307 H GLU 43 H GLU 43 -3.853 -0.626 -8.201 308 HA GLU 43 HA GLU 43 -5.816 1.457 -8.660 309 HB2 GLU 43 HB2 GLU 43 -3.993 -0.186 -10.439 310 HB3 GLU 43 HB3 GLU 43 -5.112 1.030 -11.079 311 HG2 GLU 43 HG2 GLU 43 -2.983 1.579 -8.965 312 HG3 GLU 43 HG3 GLU 43 -2.791 1.901 -10.694 313 H LEU 44 H LEU 44 -7.519 1.303 -10.303 314 HA LEU 44 HA LEU 44 -9.294 -0.864 -9.743 315 HB2 LEU 44 HB2 LEU 44 -10.037 1.408 -10.309 316 HB3 LEU 44 HB3 LEU 44 -9.321 1.255 -11.923 317 HG LEU 44 HG LEU 44 -10.877 -0.651 -12.406 318 HD11 LEU 44 HD11 LEU 44 -12.106 0.175 -9.734 319 HD12 LEU 44 HD12 LEU 44 -12.829 -0.961 -10.895 320 HD13 LEU 44 HD13 LEU 44 -11.315 -1.388 -10.085 321 HD21 LEU 44 HD21 LEU 44 -11.412 1.657 -13.089 322 HD22 LEU 44 HD22 LEU 44 -12.883 0.757 -12.659 323 HD23 LEU 44 HD23 LEU 44 -12.201 1.944 -11.522 324 H GLU 45 H GLU 45 -9.865 -2.686 -10.929 325 HA GLU 45 HA GLU 45 -7.832 -3.787 -12.632 326 HB2 GLU 45 HB2 GLU 45 -10.659 -4.757 -12.032 327 HB3 GLU 45 HB3 GLU 45 -9.391 -5.676 -12.853 328 HG2 GLU 45 HG2 GLU 45 -9.167 -6.449 -10.688 329 HG3 GLU 45 HG3 GLU 45 -7.942 -5.179 -10.733 330 H LEU 46 H LEU 46 -8.165 -4.614 -14.820 331 HA LEU 46 HA LEU 46 -9.208 -2.598 -16.565 332 HB2 LEU 46 HB2 LEU 46 -8.349 -3.889 -18.314 333 HB3 LEU 46 HB3 LEU 46 -7.248 -4.196 -16.970 334 HG LEU 46 HG LEU 46 -9.544 -6.035 -17.812 335 HD11 LEU 46 HD11 LEU 46 -6.545 -6.243 -18.284 336 HD12 LEU 46 HD12 LEU 46 -7.764 -7.471 -18.715 337 HD13 LEU 46 HD13 LEU 46 -7.780 -5.888 -19.518 338 HD21 LEU 46 HD21 LEU 46 -8.988 -6.357 -15.450 339 HD22 LEU 46 HD22 LEU 46 -8.314 -7.700 -16.393 340 HD23 LEU 46 HD23 LEU 46 -7.248 -6.395 -15.831 341 H VAL 47 H VAL 47 -10.837 -2.938 -18.264 342 HA VAL 47 HA VAL 47 -13.293 -3.854 -17.131 343 HB VAL 47 HB VAL 47 -14.322 -3.100 -19.149 344 HG11 VAL 47 HG11 VAL 47 -11.878 -1.348 -18.635 345 HG12 VAL 47 HG12 VAL 47 -13.417 -0.835 -19.358 346 HG13 VAL 47 HG13 VAL 47 -13.367 -1.346 -17.659 347 HG21 VAL 47 HG21 VAL 47 -12.886 -4.206 -20.801 348 HG22 VAL 47 HG22 VAL 47 -13.008 -2.471 -21.151 349 HG23 VAL 47 HG23 VAL 47 -11.539 -3.115 -20.386 350 HA PRO 48 HA PRO 48 -13.366 -8.064 -18.412 351 HB2 PRO 48 HB2 PRO 48 -16.075 -8.499 -18.681 352 HB3 PRO 48 HB3 PRO 48 -15.261 -8.315 -17.095 353 HG2 PRO 48 HG2 PRO 48 -16.790 -6.240 -18.680 354 HG3 PRO 48 HG3 PRO 48 -16.858 -6.575 -16.924 355 HD2 PRO 48 HD2 PRO 48 -15.359 -4.535 -18.001 356 HD3 PRO 48 HD3 PRO 48 -14.850 -5.422 -16.532 357 H ARG 49 H ARG 49 -13.964 -9.472 -20.224 358 HA ARG 49 HA ARG 49 -13.670 -8.135 -22.769 359 HB2 ARG 49 HB2 ARG 49 -14.258 -11.038 -22.072 360 HB3 ARG 49 HB3 ARG 49 -13.812 -10.433 -23.680 361 HG2 ARG 49 HG2 ARG 49 -11.670 -9.577 -22.758 362 HG3 ARG 49 HG3 ARG 49 -12.102 -10.235 -21.162 363 HD2 ARG 49 HD2 ARG 49 -12.227 -12.512 -22.143 364 HD3 ARG 49 HD3 ARG 49 -11.777 -11.848 -23.721 365 HE ARG 49 HE ARG 49 -9.571 -11.480 -22.964 366 HH11 ARG 49 HH11 ARG 49 -11.625 -12.805 -20.419 367 HH12 ARG 49 HH12 ARG 49 -10.274 -13.277 -19.407 368 HH21 ARG 49 HH21 ARG 49 -7.827 -12.112 -21.640 369 HH22 ARG 49 HH22 ARG 49 -8.132 -12.894 -20.105 Start of MODEL 14 1 H1 MET 1 H1 MET 1 3.534 -1.910 0.029 2 H2 MET 1 H2 MET 1 2.334 -0.949 -0.573 3 H3 MET 1 H3 MET 1 3.725 -0.279 -0.009 4 HA MET 1 HA MET 1 3.552 -2.082 -2.316 5 HB2 MET 1 HB2 MET 1 3.937 -0.097 -3.709 6 HB3 MET 1 HB3 MET 1 2.431 0.044 -2.788 7 HG2 MET 1 HG2 MET 1 3.668 1.403 -1.076 8 HG3 MET 1 HG3 MET 1 5.094 1.352 -2.114 9 HE1 MET 1 HE1 MET 1 5.341 2.568 -4.398 10 HE2 MET 1 HE2 MET 1 3.935 1.676 -5.033 11 HE3 MET 1 HE3 MET 1 4.022 3.440 -5.217 12 H ILE 2 H ILE 2 5.603 -1.846 -3.691 13 HA ILE 2 HA ILE 2 7.963 -1.259 -2.015 14 HB ILE 2 HB ILE 2 7.117 -3.757 -1.992 15 HG12 ILE 2 HG12 ILE 2 10.038 -3.240 -2.629 16 HG13 ILE 2 HG13 ILE 2 9.281 -2.710 -1.113 17 HG21 ILE 2 HG21 ILE 2 8.779 -3.755 -4.544 18 HG22 ILE 2 HG22 ILE 2 8.034 -5.153 -3.747 19 HG23 ILE 2 HG23 ILE 2 7.000 -3.929 -4.498 20 HD11 ILE 2 HD11 ILE 2 8.598 -5.025 -0.615 21 HD12 ILE 2 HD12 ILE 2 9.384 -5.584 -2.112 22 HD13 ILE 2 HD13 ILE 2 10.361 -4.887 -0.797 23 H LEU 3 H LEU 3 9.848 -0.779 -3.191 24 HA LEU 3 HA LEU 3 9.524 -0.446 -6.134 25 HB2 LEU 3 HB2 LEU 3 10.552 1.612 -4.143 26 HB3 LEU 3 HB3 LEU 3 10.621 1.783 -5.906 27 HG LEU 3 HG LEU 3 8.019 1.395 -4.366 28 HD11 LEU 3 HD11 LEU 3 9.162 3.487 -3.688 29 HD12 LEU 3 HD12 LEU 3 9.292 3.957 -5.400 30 HD13 LEU 3 HD13 LEU 3 7.693 3.814 -4.637 31 HD21 LEU 3 HD21 LEU 3 7.029 2.293 -6.458 32 HD22 LEU 3 HD22 LEU 3 8.654 2.375 -7.186 33 HD23 LEU 3 HD23 LEU 3 7.934 0.801 -6.777 34 H THR 4 H THR 4 11.463 -0.557 -7.339 35 HA THR 4 HA THR 4 13.726 -1.698 -5.811 36 HB THR 4 HB THR 4 13.447 -1.848 -8.804 37 HG1 THR 4 HG1 THR 4 11.577 -2.724 -7.999 38 HG21 THR 4 HG21 THR 4 14.784 -3.630 -6.722 39 HG22 THR 4 HG22 THR 4 14.826 -3.867 -8.482 40 HG23 THR 4 HG23 THR 4 15.625 -2.458 -7.765 41 H CYS 5 H CYS 5 15.723 -0.825 -5.749 42 HA CYS 5 HA CYS 5 15.968 1.933 -6.585 43 HB2 CYS 5 HB2 CYS 5 16.934 1.115 -4.485 44 HB3 CYS 5 HB3 CYS 5 17.983 0.003 -5.399 45 HA PRO 6 HA PRO 6 17.736 1.056 -10.613 46 HB2 PRO 6 HB2 PRO 6 18.871 3.801 -10.365 47 HB3 PRO 6 HB3 PRO 6 17.824 3.122 -11.649 48 HG2 PRO 6 HG2 PRO 6 16.867 4.896 -9.791 49 HG3 PRO 6 HG3 PRO 6 15.871 3.533 -10.405 50 HD2 PRO 6 HD2 PRO 6 17.384 3.726 -7.804 51 HD3 PRO 6 HD3 PRO 6 15.754 3.055 -8.139 52 H GLU 7 H GLU 7 19.437 1.982 -7.713 53 HA GLU 7 HA GLU 7 22.070 1.458 -9.026 54 HB2 GLU 7 HB2 GLU 7 21.428 3.031 -6.507 55 HB3 GLU 7 HB3 GLU 7 23.038 2.806 -7.198 56 HG2 GLU 7 HG2 GLU 7 20.698 4.167 -8.603 57 HG3 GLU 7 HG3 GLU 7 22.012 5.011 -7.777 58 H CYS 8 H CYS 8 20.134 0.817 -6.038 59 HA CYS 8 HA CYS 8 22.167 -1.047 -5.069 60 HB2 CYS 8 HB2 CYS 8 19.324 -0.524 -4.092 61 HB3 CYS 8 HB3 CYS 8 20.549 -1.500 -3.269 62 H ALA 9 H ALA 9 19.518 -1.149 -7.264 63 HA ALA 9 HA ALA 9 18.401 -2.810 -8.327 64 HB1 ALA 9 HB1 ALA 9 20.951 -4.385 -7.795 65 HB2 ALA 9 HB2 ALA 9 19.728 -4.736 -9.039 66 HB3 ALA 9 HB3 ALA 9 20.699 -3.245 -9.131 67 H SER 10 H SER 10 17.834 -2.504 -5.561 68 HA SER 10 HA SER 10 16.984 -5.257 -4.860 69 HB2 SER 10 HB2 SER 10 19.102 -4.672 -3.661 70 HB3 SER 10 HB3 SER 10 18.277 -3.278 -2.940 71 HG SER 10 HG SER 10 18.219 -5.142 -1.592 72 H ARG 11 H ARG 11 15.178 -5.274 -3.318 73 HA ARG 11 HA ARG 11 13.325 -3.113 -4.015 74 HB2 ARG 11 HB2 ARG 11 12.963 -5.760 -2.573 75 HB3 ARG 11 HB3 ARG 11 11.651 -4.618 -2.927 76 HG2 ARG 11 HG2 ARG 11 12.230 -4.751 -5.357 77 HG3 ARG 11 HG3 ARG 11 13.426 -6.013 -4.966 78 HD2 ARG 11 HD2 ARG 11 11.617 -7.397 -3.982 79 HD3 ARG 11 HD3 ARG 11 10.438 -6.131 -4.374 80 HE ARG 11 HE ARG 11 10.620 -6.648 -6.675 81 HH11 ARG 11 HH11 ARG 11 12.721 -8.680 -4.692 82 HH12 ARG 11 HH12 ARG 11 12.966 -9.868 -5.949 83 HH21 ARG 11 HH21 ARG 11 10.938 -8.212 -8.300 84 HH22 ARG 11 HH22 ARG 11 11.941 -9.610 -7.992 85 H TYR 12 H TYR 12 12.086 -1.934 -2.552 86 HA TYR 12 HA TYR 12 12.684 -2.072 0.298 87 HB2 TYR 12 HB2 TYR 12 14.446 -0.625 -0.252 88 HB3 TYR 12 HB3 TYR 12 13.465 0.269 -1.410 89 HD1 TYR 12 HD2 TYR 12 14.122 -0.278 2.195 90 HD2 TYR 12 HD1 TYR 12 11.965 2.037 -0.726 91 HE1 TYR 12 HE2 TYR 12 13.560 1.393 3.940 92 HE2 TYR 12 HE1 TYR 12 11.424 3.726 1.006 93 HH TYR 12 HH TYR 12 11.635 4.331 3.208 94 H PHE 13 H PHE 13 10.999 -1.459 1.600 95 HA PHE 13 HA PHE 13 8.559 -0.953 0.027 96 HB2 PHE 13 HB2 PHE 13 7.417 -1.963 2.092 97 HB3 PHE 13 HB3 PHE 13 8.274 -2.998 0.957 98 HD1 PHE 13 HD1 PHE 13 8.466 -1.427 4.313 99 HD2 PHE 13 HD2 PHE 13 10.239 -4.233 1.572 100 HE1 PHE 13 HE1 PHE 13 9.871 -2.326 6.141 101 HE2 PHE 13 HE2 PHE 13 11.644 -5.133 3.402 102 HZ PHE 13 HZ PHE 13 11.466 -4.184 5.690 103 H VAL 14 H VAL 14 6.860 0.297 0.613 104 HA VAL 14 HA VAL 14 7.171 2.178 2.854 105 HB VAL 14 HB VAL 14 6.718 4.117 1.427 106 HG11 VAL 14 HG11 VAL 14 9.085 3.508 1.909 107 HG12 VAL 14 HG12 VAL 14 9.134 2.572 0.400 108 HG13 VAL 14 HG13 VAL 14 8.899 4.334 0.347 109 HG21 VAL 14 HG21 VAL 14 6.893 3.948 -1.034 110 HG22 VAL 14 HG22 VAL 14 7.023 2.177 -0.897 111 HG23 VAL 14 HG23 VAL 14 5.528 3.001 -0.412 112 H ASP 15 H ASP 15 5.105 3.375 3.242 113 HA ASP 15 HA ASP 15 2.837 1.657 2.999 114 HB2 ASP 15 HB2 ASP 15 3.075 4.588 3.761 115 HB3 ASP 15 HB3 ASP 15 1.593 3.634 3.893 116 H ASP 16 H ASP 16 0.841 2.002 1.864 117 HA ASP 16 HA ASP 16 1.255 2.720 -0.874 118 HB2 ASP 16 HB2 ASP 16 -1.265 2.126 0.714 119 HB3 ASP 16 HB3 ASP 16 -1.228 2.358 -1.039 120 H SER 17 H SER 17 0.642 4.702 1.838 121 HA SER 17 HA SER 17 -0.828 6.752 0.364 122 HB2 SER 17 HB2 SER 17 -0.620 8.017 2.457 123 HB3 SER 17 HB3 SER 17 -1.173 6.361 2.788 124 HG SER 17 HG SER 17 0.541 7.033 4.180 125 H LYS 18 H LYS 18 2.460 5.764 0.568 126 HA LYS 18 HA LYS 18 3.701 8.348 0.443 127 HB2 LYS 18 HB2 LYS 18 4.786 6.282 1.276 128 HB3 LYS 18 HB3 LYS 18 4.645 5.555 -0.328 129 HG2 LYS 18 HG2 LYS 18 6.905 6.411 0.063 130 HG3 LYS 18 HG3 LYS 18 6.119 7.255 -1.283 131 HD2 LYS 18 HD2 LYS 18 7.312 8.849 0.157 132 HD3 LYS 18 HD3 LYS 18 5.563 9.146 0.226 133 HE2 LYS 18 HE2 LYS 18 5.429 7.888 2.348 134 HE3 LYS 18 HE3 LYS 18 7.164 7.542 2.261 135 HZ1 LYS 18 HZ1 LYS 18 6.714 9.410 3.685 136 HZ2 LYS 18 HZ2 LYS 18 7.579 9.901 2.377 137 HZ3 LYS 18 HZ3 LYS 18 5.968 10.227 2.469 138 H VAL 19 H VAL 19 2.008 6.381 -1.872 139 HA VAL 19 HA VAL 19 2.924 8.157 -4.055 140 HB VAL 19 HB VAL 19 2.819 5.145 -4.352 141 HG11 VAL 19 HG11 VAL 19 3.901 7.374 -6.129 142 HG12 VAL 19 HG12 VAL 19 4.028 5.634 -6.456 143 HG13 VAL 19 HG13 VAL 19 2.431 6.409 -6.429 144 HG21 VAL 19 HG21 VAL 19 5.316 5.286 -4.482 145 HG22 VAL 19 HG22 VAL 19 5.228 6.980 -3.975 146 HG23 VAL 19 HG23 VAL 19 4.695 5.685 -2.872 147 H GLY 20 H GLY 20 1.410 8.492 -5.706 148 HA2 GLY 20 HA2 GLY 20 -1.264 7.227 -5.291 149 HA3 GLY 20 HA3 GLY 20 -1.077 8.961 -5.585 150 HA PRO 21 HA PRO 21 -1.558 6.670 -9.646 151 HB2 PRO 21 HB2 PRO 21 -3.849 7.933 -10.487 152 HB3 PRO 21 HB3 PRO 21 -3.854 6.465 -9.455 153 HG2 PRO 21 HG2 PRO 21 -4.203 9.349 -8.624 154 HG3 PRO 21 HG3 PRO 21 -5.096 7.897 -8.063 155 HD2 PRO 21 HD2 PRO 21 -3.005 9.045 -6.667 156 HD3 PRO 21 HD3 PRO 21 -3.372 7.300 -6.586 157 H ASP 22 H ASP 22 -1.535 9.976 -8.485 158 HA ASP 22 HA ASP 22 -0.862 11.090 -11.099 159 HB2 ASP 22 HB2 ASP 22 -0.529 13.201 -9.748 160 HB3 ASP 22 HB3 ASP 22 -2.163 12.513 -9.766 161 H GLY 23 H GLY 23 0.800 9.266 -8.899 162 HA2 GLY 23 HA2 GLY 23 3.025 8.673 -8.898 163 HA3 GLY 23 HA3 GLY 23 3.376 9.966 -10.062 164 H ARG 24 H ARG 24 4.972 9.270 -7.783 165 HA ARG 24 HA ARG 24 5.223 11.914 -6.586 166 HB2 ARG 24 HB2 ARG 24 3.525 10.798 -5.118 167 HB3 ARG 24 HB3 ARG 24 4.672 9.471 -4.847 168 HG2 ARG 24 HG2 ARG 24 4.699 11.039 -2.962 169 HG3 ARG 24 HG3 ARG 24 6.262 11.051 -3.795 170 HD2 ARG 24 HD2 ARG 24 5.622 13.117 -4.998 171 HD3 ARG 24 HD3 ARG 24 4.026 13.070 -4.224 172 HE ARG 24 HE ARG 24 6.549 13.297 -2.630 173 HH11 ARG 24 HH11 ARG 24 3.339 14.505 -3.503 174 HH12 ARG 24 HH12 ARG 24 3.312 15.703 -2.233 175 HH21 ARG 24 HH21 ARG 24 6.492 14.870 -0.979 176 HH22 ARG 24 HH22 ARG 24 5.084 15.896 -0.803 177 H VAL 25 H VAL 25 7.338 12.253 -5.813 178 HA VAL 25 HA VAL 25 9.292 10.340 -6.805 179 HB VAL 25 HB VAL 25 9.502 12.832 -7.003 180 HG11 VAL 25 HG11 VAL 25 10.179 12.649 -4.036 181 HG12 VAL 25 HG12 VAL 25 10.305 14.094 -5.062 182 HG13 VAL 25 HG13 VAL 25 8.707 13.391 -4.714 183 HG21 VAL 25 HG21 VAL 25 11.455 11.328 -7.259 184 HG22 VAL 25 HG22 VAL 25 11.907 12.878 -6.515 185 HG23 VAL 25 HG23 VAL 25 11.756 11.427 -5.508 186 H VAL 26 H VAL 26 10.885 9.238 -5.633 187 HA VAL 26 HA VAL 26 10.415 9.031 -2.708 188 HB VAL 26 HB VAL 26 10.501 6.666 -2.728 189 HG11 VAL 26 HG11 VAL 26 8.791 7.481 -5.118 190 HG12 VAL 26 HG12 VAL 26 8.587 6.035 -4.109 191 HG13 VAL 26 HG13 VAL 26 8.316 7.649 -3.410 192 HG21 VAL 26 HG21 VAL 26 12.274 6.370 -4.424 193 HG22 VAL 26 HG22 VAL 26 10.874 5.345 -4.788 194 HG23 VAL 26 HG23 VAL 26 11.132 6.841 -5.707 195 H ARG 27 H ARG 27 12.276 7.753 -1.634 196 HA ARG 27 HA ARG 27 14.864 8.413 -2.929 197 HB2 ARG 27 HB2 ARG 27 14.287 10.330 -1.508 198 HB3 ARG 27 HB3 ARG 27 14.022 9.252 -0.127 199 HG2 ARG 27 HG2 ARG 27 16.380 8.582 -0.151 200 HG3 ARG 27 HG3 ARG 27 16.666 9.545 -1.619 201 HD2 ARG 27 HD2 ARG 27 16.041 11.596 -0.391 202 HD3 ARG 27 HD3 ARG 27 15.772 10.643 1.076 203 HE ARG 27 HE ARG 27 18.362 11.355 -0.141 204 HH11 ARG 27 HH11 ARG 27 16.632 9.413 2.258 205 HH12 ARG 27 HH12 ARG 27 18.058 9.136 3.232 206 HH21 ARG 27 HH21 ARG 27 20.194 11.000 1.164 207 HH22 ARG 27 HH22 ARG 27 20.070 10.036 2.617 208 H CYS 28 H CYS 28 16.525 7.048 -2.459 209 HA CYS 28 HA CYS 28 15.803 4.445 -1.414 210 HB2 CYS 28 HB2 CYS 28 17.290 4.883 -3.389 211 HB3 CYS 28 HB3 CYS 28 18.508 5.558 -2.287 212 H ALA 29 H ALA 29 16.309 3.538 0.526 213 HA ALA 29 HA ALA 29 17.412 5.248 2.617 214 HB1 ALA 29 HB1 ALA 29 16.539 2.329 2.609 215 HB2 ALA 29 HB2 ALA 29 16.932 3.290 4.050 216 HB3 ALA 29 HB3 ALA 29 15.523 3.723 3.048 217 H SER 30 H SER 30 18.787 3.326 0.171 218 HA SER 30 HA SER 30 21.009 2.438 1.941 219 HB2 SER 30 HB2 SER 30 19.851 1.274 -0.605 220 HB3 SER 30 HB3 SER 30 21.398 0.751 0.099 221 HG SER 30 HG SER 30 18.854 0.707 1.356 222 H CYS 31 H CYS 31 20.257 4.499 -0.799 223 HA CYS 31 HA CYS 31 23.112 5.207 -0.835 224 HB2 CYS 31 HB2 CYS 31 23.430 4.956 -3.182 225 HB3 CYS 31 HB3 CYS 31 22.811 3.413 -2.557 226 H GLY 32 H GLY 32 19.898 6.200 -0.826 227 HA2 GLY 32 HA2 GLY 32 19.157 8.368 -0.557 228 HA3 GLY 32 HA3 GLY 32 20.789 8.956 -0.919 229 H ASN 33 H ASN 33 19.905 6.829 -3.369 230 HA ASN 33 HA ASN 33 19.678 8.839 -5.355 231 HB2 ASN 33 HB2 ASN 33 20.428 6.461 -5.659 232 HB3 ASN 33 HB3 ASN 33 18.748 5.940 -5.436 233 HD21 ASN 33 HD22 ASN 33 18.570 5.058 -7.530 234 HD22 ASN 33 HD21 ASN 33 18.500 6.065 -8.960 235 H ARG 34 H ARG 34 17.815 9.415 -6.672 236 HA ARG 34 HA ARG 34 15.181 8.927 -5.376 237 HB2 ARG 34 HB2 ARG 34 16.244 11.624 -6.279 238 HB3 ARG 34 HB3 ARG 34 14.599 11.300 -5.690 239 HG2 ARG 34 HG2 ARG 34 15.565 10.521 -3.514 240 HG3 ARG 34 HG3 ARG 34 17.180 10.969 -4.104 241 HD2 ARG 34 HD2 ARG 34 14.812 12.861 -3.811 242 HD3 ARG 34 HD3 ARG 34 16.159 12.729 -2.675 243 HE ARG 34 HE ARG 34 17.664 13.509 -4.474 244 HH11 ARG 34 HH11 ARG 34 14.199 14.093 -4.867 245 HH12 ARG 34 HH12 ARG 34 14.433 15.416 -5.985 246 HH21 ARG 34 HH21 ARG 34 17.941 15.229 -5.938 247 HH22 ARG 34 HH22 ARG 34 16.545 16.063 -6.577 248 H TRP 35 H TRP 35 13.434 8.837 -6.724 249 HA TRP 35 HA TRP 35 13.605 9.616 -9.520 250 HB2 TRP 35 HB2 TRP 35 13.264 7.396 -10.441 251 HB3 TRP 35 HB3 TRP 35 14.786 7.446 -9.555 252 HD1 TRP 35 HD1 TRP 35 11.391 5.799 -9.606 253 HE1 TRP 35 HE1 TRP 35 11.246 3.927 -7.891 254 HE3 TRP 35 HE3 TRP 35 15.784 6.652 -7.115 255 HZ2 TRP 35 HZ2 TRP 35 12.820 2.921 -5.685 256 HZ3 TRP 35 HZ3 TRP 35 16.411 5.230 -5.198 257 HH2 TRP 35 HH2 TRP 35 14.953 3.356 -4.480 258 H THR 36 H THR 36 11.468 9.341 -10.582 259 HA THR 36 HA THR 36 9.325 9.695 -8.687 260 HB THR 36 HB THR 36 8.828 9.362 -11.618 261 HG1 THR 36 HG1 THR 36 9.471 11.520 -11.860 262 HG21 THR 36 HG21 THR 36 6.946 9.767 -10.088 263 HG22 THR 36 HG22 THR 36 7.761 11.221 -9.454 264 HG23 THR 36 HG23 THR 36 7.207 11.170 -11.145 265 H ALA 37 H ALA 37 7.633 8.431 -8.132 266 HA ALA 37 HA ALA 37 7.579 5.666 -9.246 267 HB1 ALA 37 HB1 ALA 37 6.997 6.592 -6.406 268 HB2 ALA 37 HB2 ALA 37 6.883 4.924 -7.006 269 HB3 ALA 37 HB3 ALA 37 8.464 5.735 -6.930 270 H PHE 38 H PHE 38 5.410 4.630 -9.040 271 HA PHE 38 HA PHE 38 3.160 6.451 -8.727 272 HB2 PHE 38 HB2 PHE 38 2.215 5.649 -10.984 273 HB3 PHE 38 HB3 PHE 38 3.396 6.959 -10.931 274 HD1 PHE 38 HD1 PHE 38 2.885 3.413 -11.840 275 HD2 PHE 38 HD2 PHE 38 5.620 6.732 -11.823 276 HE1 PHE 38 HE1 PHE 38 4.368 2.198 -13.408 277 HE2 PHE 38 HE2 PHE 38 7.114 5.510 -13.386 278 HZ PHE 38 HZ PHE 38 6.491 3.240 -14.177 279 H LYS 39 H LYS 39 1.140 5.533 -8.387 280 HA LYS 39 HA LYS 39 1.281 2.998 -7.039 281 HB2 LYS 39 HB2 LYS 39 -0.215 4.854 -6.349 282 HB3 LYS 39 HB3 LYS 39 -1.109 4.687 -7.871 283 HG2 LYS 39 HG2 LYS 39 -2.323 3.560 -6.082 284 HG3 LYS 39 HG3 LYS 39 -1.748 2.381 -7.270 285 HD2 LYS 39 HD2 LYS 39 -1.419 1.602 -4.936 286 HD3 LYS 39 HD3 LYS 39 0.118 1.753 -5.805 287 HE2 LYS 39 HE2 LYS 39 0.330 2.651 -3.536 288 HE3 LYS 39 HE3 LYS 39 0.513 3.952 -4.724 289 HZ1 LYS 39 HZ1 LYS 39 -1.950 3.344 -3.233 290 HZ2 LYS 39 HZ2 LYS 39 -0.908 4.579 -2.915 291 HZ3 LYS 39 HZ3 LYS 39 -1.762 4.574 -4.319 292 H ASP 40 H ASP 40 0.513 0.997 -7.597 293 HA ASP 40 HA ASP 40 -0.872 0.557 -10.129 294 HB2 ASP 40 HB2 ASP 40 1.575 0.879 -10.716 295 HB3 ASP 40 HB3 ASP 40 1.942 -0.542 -9.725 296 H GLU 41 H GLU 41 -0.805 0.027 -7.025 297 HA GLU 41 HA GLU 41 -0.541 -2.835 -6.738 298 HB2 GLU 41 HB2 GLU 41 -1.824 -0.667 -5.035 299 HB3 GLU 41 HB3 GLU 41 -1.689 -2.351 -4.523 300 HG2 GLU 41 HG2 GLU 41 0.680 -0.592 -5.324 301 HG3 GLU 41 HG3 GLU 41 0.150 -0.863 -3.653 302 H ALA 42 H ALA 42 -3.047 -0.766 -7.968 303 HA ALA 42 HA ALA 42 -4.849 -3.025 -8.313 304 HB1 ALA 42 HB1 ALA 42 -5.650 -0.687 -6.537 305 HB2 ALA 42 HB2 ALA 42 -6.699 -2.037 -7.038 306 HB3 ALA 42 HB3 ALA 42 -5.309 -2.332 -5.967 307 H GLU 43 H GLU 43 -6.788 -2.384 -9.584 308 HA GLU 43 HA GLU 43 -6.736 0.252 -10.852 309 HB2 GLU 43 HB2 GLU 43 -5.087 -0.917 -12.212 310 HB3 GLU 43 HB3 GLU 43 -6.130 -2.335 -12.334 311 HG2 GLU 43 HG2 GLU 43 -6.220 -1.112 -14.419 312 HG3 GLU 43 HG3 GLU 43 -7.794 -1.018 -13.625 313 H LEU 44 H LEU 44 -8.706 0.788 -11.799 314 HA LEU 44 HA LEU 44 -10.952 0.809 -11.922 315 HB2 LEU 44 HB2 LEU 44 -10.258 -0.857 -13.720 316 HB3 LEU 44 HB3 LEU 44 -10.747 -2.142 -12.600 317 HG LEU 44 HG LEU 44 -13.068 -1.164 -12.554 318 HD11 LEU 44 HD11 LEU 44 -11.913 0.675 -14.697 319 HD12 LEU 44 HD12 LEU 44 -13.641 0.478 -14.346 320 HD13 LEU 44 HD13 LEU 44 -12.561 1.171 -13.115 321 HD21 LEU 44 HD21 LEU 44 -12.470 -2.988 -14.094 322 HD22 LEU 44 HD22 LEU 44 -13.659 -1.889 -14.828 323 HD23 LEU 44 HD23 LEU 44 -11.952 -1.799 -15.313 324 H GLU 45 H GLU 45 -9.738 0.195 -9.301 325 HA GLU 45 HA GLU 45 -11.413 -1.744 -7.972 326 HB2 GLU 45 HB2 GLU 45 -9.159 -1.222 -7.184 327 HB3 GLU 45 HB3 GLU 45 -9.594 0.482 -6.972 328 HG2 GLU 45 HG2 GLU 45 -9.587 -0.622 -4.817 329 HG3 GLU 45 HG3 GLU 45 -11.232 -0.147 -5.215 330 H LEU 46 H LEU 46 -11.753 1.637 -8.827 331 HA LEU 46 HA LEU 46 -13.696 2.272 -6.807 332 HB2 LEU 46 HB2 LEU 46 -13.947 4.355 -7.930 333 HB3 LEU 46 HB3 LEU 46 -12.242 3.928 -7.910 334 HG LEU 46 HG LEU 46 -12.667 4.905 -10.002 335 HD11 LEU 46 HD11 LEU 46 -12.147 3.213 -11.636 336 HD12 LEU 46 HD12 LEU 46 -11.282 2.848 -10.131 337 HD13 LEU 46 HD13 LEU 46 -12.746 1.924 -10.574 338 HD21 LEU 46 HD21 LEU 46 -15.161 4.649 -9.948 339 HD22 LEU 46 HD22 LEU 46 -14.409 4.371 -11.534 340 HD23 LEU 46 HD23 LEU 46 -14.951 2.990 -10.571 341 H VAL 47 H VAL 47 -15.958 2.858 -7.229 342 HA VAL 47 HA VAL 47 -17.246 0.659 -8.612 343 HB VAL 47 HB VAL 47 -18.555 3.026 -7.242 344 HG11 VAL 47 HG11 VAL 47 -19.461 0.155 -7.739 345 HG12 VAL 47 HG12 VAL 47 -20.392 1.421 -6.901 346 HG13 VAL 47 HG13 VAL 47 -20.036 1.586 -8.631 347 HG21 VAL 47 HG21 VAL 47 -16.973 2.017 -5.676 348 HG22 VAL 47 HG22 VAL 47 -18.631 1.548 -5.240 349 HG23 VAL 47 HG23 VAL 47 -17.575 0.391 -6.079 350 HA PRO 48 HA PRO 48 -17.654 2.830 -12.423 351 HB2 PRO 48 HB2 PRO 48 -19.370 1.136 -13.740 352 HB3 PRO 48 HB3 PRO 48 -17.654 0.739 -13.414 353 HG2 PRO 48 HG2 PRO 48 -20.116 -0.107 -11.866 354 HG3 PRO 48 HG3 PRO 48 -18.719 -1.112 -12.362 355 HD2 PRO 48 HD2 PRO 48 -18.958 -0.041 -9.849 356 HD3 PRO 48 HD3 PRO 48 -17.368 -0.251 -10.643 357 H ARG 49 H ARG 49 -19.964 2.857 -10.035 358 HA ARG 49 HA ARG 49 -21.644 4.767 -11.496 359 HB2 ARG 49 HB2 ARG 49 -23.736 3.582 -10.958 360 HB3 ARG 49 HB3 ARG 49 -22.711 2.622 -12.041 361 HG2 ARG 49 HG2 ARG 49 -21.903 1.286 -10.106 362 HG3 ARG 49 HG3 ARG 49 -22.927 2.254 -9.016 363 HD2 ARG 49 HD2 ARG 49 -24.931 1.530 -10.261 364 HD3 ARG 49 HD3 ARG 49 -23.916 0.560 -11.342 365 HE ARG 49 HE ARG 49 -24.509 0.012 -8.482 366 HH11 ARG 49 HH11 ARG 49 -22.945 -0.954 -11.499 367 HH12 ARG 49 HH12 ARG 49 -22.683 -2.603 -10.975 368 HH21 ARG 49 HH21 ARG 49 -24.163 -2.133 -7.821 369 HH22 ARG 49 HH22 ARG 49 -23.377 -3.271 -8.890 Start of MODEL 15 1 H1 MET 1 H1 MET 1 3.572 -1.484 -0.040 2 H2 MET 1 H2 MET 1 2.475 -0.530 -0.811 3 H3 MET 1 H3 MET 1 3.893 0.111 -0.266 4 HA MET 1 HA MET 1 3.627 -1.907 -2.386 5 HB2 MET 1 HB2 MET 1 4.391 -0.132 -3.904 6 HB3 MET 1 HB3 MET 1 2.842 0.292 -3.142 7 HG2 MET 1 HG2 MET 1 3.792 1.957 -1.833 8 HG3 MET 1 HG3 MET 1 5.374 1.173 -1.784 9 HE1 MET 1 HE1 MET 1 3.409 1.726 -5.141 10 HE2 MET 1 HE2 MET 1 2.850 3.080 -4.121 11 HE3 MET 1 HE3 MET 1 3.871 3.398 -5.547 12 H ILE 2 H ILE 2 5.758 -1.889 -3.724 13 HA ILE 2 HA ILE 2 8.117 -1.334 -2.041 14 HB ILE 2 HB ILE 2 7.238 -3.814 -1.948 15 HG12 ILE 2 HG12 ILE 2 10.161 -3.378 -2.634 16 HG13 ILE 2 HG13 ILE 2 9.433 -2.773 -1.131 17 HG21 ILE 2 HG21 ILE 2 8.872 -3.897 -4.522 18 HG22 ILE 2 HG22 ILE 2 8.128 -5.271 -3.682 19 HG23 ILE 2 HG23 ILE 2 7.102 -4.046 -4.460 20 HD11 ILE 2 HD11 ILE 2 8.720 -5.029 -0.510 21 HD12 ILE 2 HD12 ILE 2 9.444 -5.689 -1.997 22 HD13 ILE 2 HD13 ILE 2 10.478 -4.957 -0.745 23 H LEU 3 H LEU 3 9.978 -0.819 -3.238 24 HA LEU 3 HA LEU 3 9.620 -0.592 -6.189 25 HB2 LEU 3 HB2 LEU 3 10.568 1.547 -4.249 26 HB3 LEU 3 HB3 LEU 3 10.680 1.674 -6.012 27 HG LEU 3 HG LEU 3 8.029 1.248 -4.549 28 HD11 LEU 3 HD11 LEU 3 9.300 3.831 -5.544 29 HD12 LEU 3 HD12 LEU 3 7.672 3.659 -4.844 30 HD13 LEU 3 HD13 LEU 3 9.101 3.363 -3.834 31 HD21 LEU 3 HD21 LEU 3 7.105 2.123 -6.676 32 HD22 LEU 3 HD22 LEU 3 8.754 2.236 -7.339 33 HD23 LEU 3 HD23 LEU 3 8.054 0.645 -6.955 34 H THR 4 H THR 4 11.552 -0.696 -7.404 35 HA THR 4 HA THR 4 13.839 -1.766 -5.878 36 HB THR 4 HB THR 4 13.599 -1.869 -8.869 37 HG1 THR 4 HG1 THR 4 12.547 -3.829 -8.582 38 HG21 THR 4 HG21 THR 4 14.911 -3.677 -6.796 39 HG22 THR 4 HG22 THR 4 14.980 -3.886 -8.560 40 HG23 THR 4 HG23 THR 4 15.765 -2.486 -7.808 41 H CYS 5 H CYS 5 15.841 -0.870 -5.812 42 HA CYS 5 HA CYS 5 16.052 1.905 -6.621 43 HB2 CYS 5 HB2 CYS 5 16.989 1.085 -4.509 44 HB3 CYS 5 HB3 CYS 5 18.071 -0.007 -5.412 45 HA PRO 6 HA PRO 6 17.896 1.028 -10.615 46 HB2 PRO 6 HB2 PRO 6 18.986 3.791 -10.385 47 HB3 PRO 6 HB3 PRO 6 17.950 3.089 -11.666 48 HG2 PRO 6 HG2 PRO 6 16.970 4.862 -9.821 49 HG3 PRO 6 HG3 PRO 6 15.991 3.493 -10.443 50 HD2 PRO 6 HD2 PRO 6 17.478 3.697 -7.821 51 HD3 PRO 6 HD3 PRO 6 15.859 3.018 -8.174 52 H GLU 7 H GLU 7 19.551 2.018 -7.705 53 HA GLU 7 HA GLU 7 22.200 1.510 -8.984 54 HB2 GLU 7 HB2 GLU 7 21.499 3.070 -6.466 55 HB3 GLU 7 HB3 GLU 7 23.126 2.871 -7.138 56 HG2 GLU 7 HG2 GLU 7 20.780 4.198 -8.570 57 HG3 GLU 7 HG3 GLU 7 22.068 5.059 -7.717 58 H CYS 8 H CYS 8 20.236 0.839 -6.022 59 HA CYS 8 HA CYS 8 22.270 -1.018 -5.040 60 HB2 CYS 8 HB2 CYS 8 19.411 -0.519 -4.085 61 HB3 CYS 8 HB3 CYS 8 20.642 -1.479 -3.254 62 H ALA 9 H ALA 9 19.668 -1.135 -7.289 63 HA ALA 9 HA ALA 9 18.566 -2.803 -8.355 64 HB1 ALA 9 HB1 ALA 9 21.122 -4.354 -7.774 65 HB2 ALA 9 HB2 ALA 9 19.926 -4.718 -9.045 66 HB3 ALA 9 HB3 ALA 9 20.882 -3.225 -9.129 67 H SER 10 H SER 10 17.890 -2.503 -5.642 68 HA SER 10 HA SER 10 17.100 -5.270 -4.927 69 HB2 SER 10 HB2 SER 10 19.207 -4.671 -3.731 70 HB3 SER 10 HB3 SER 10 18.365 -3.281 -3.005 71 HG SER 10 HG SER 10 18.324 -5.150 -1.660 72 H ARG 11 H ARG 11 15.330 -5.285 -3.323 73 HA ARG 11 HA ARG 11 13.405 -3.196 -4.042 74 HB2 ARG 11 HB2 ARG 11 13.148 -5.798 -2.499 75 HB3 ARG 11 HB3 ARG 11 11.797 -4.710 -2.874 76 HG2 ARG 11 HG2 ARG 11 12.355 -4.923 -5.314 77 HG3 ARG 11 HG3 ARG 11 13.586 -6.131 -4.896 78 HD2 ARG 11 HD2 ARG 11 10.621 -6.326 -4.238 79 HD3 ARG 11 HD3 ARG 11 11.428 -7.164 -5.578 80 HE ARG 11 HE ARG 11 12.904 -8.095 -3.575 81 HH11 ARG 11 HH11 ARG 11 9.406 -7.660 -3.735 82 HH12 ARG 11 HH12 ARG 11 9.067 -8.936 -2.585 83 HH21 ARG 11 HH21 ARG 11 12.448 -9.755 -2.079 84 HH22 ARG 11 HH22 ARG 11 10.794 -10.122 -1.651 85 H TYR 12 H TYR 12 12.186 -1.981 -2.602 86 HA TYR 12 HA TYR 12 12.787 -2.048 0.244 87 HB2 TYR 12 HB2 TYR 12 14.559 -0.619 -0.321 88 HB3 TYR 12 HB3 TYR 12 13.589 0.259 -1.506 89 HD1 TYR 12 HD1 TYR 12 14.116 -0.283 2.125 90 HD2 TYR 12 HD2 TYR 12 12.206 2.106 -0.894 91 HE1 TYR 12 HE1 TYR 12 13.548 1.426 3.841 92 HE2 TYR 12 HE2 TYR 12 11.662 3.834 0.805 93 HH TYR 12 HH TYR 12 12.562 3.461 4.256 94 H PHE 13 H PHE 13 11.139 -1.279 1.542 95 HA PHE 13 HA PHE 13 8.693 -0.819 -0.045 96 HB2 PHE 13 HB2 PHE 13 7.537 -1.835 2.008 97 HB3 PHE 13 HB3 PHE 13 8.405 -2.869 0.880 98 HD1 PHE 13 HD1 PHE 13 8.472 -1.384 4.255 99 HD2 PHE 13 HD2 PHE 13 10.447 -4.021 1.492 100 HE1 PHE 13 HE1 PHE 13 9.867 -2.282 6.106 101 HE2 PHE 13 HE2 PHE 13 11.837 -4.921 3.344 102 HZ PHE 13 HZ PHE 13 11.546 -4.050 5.650 103 H VAL 14 H VAL 14 7.021 0.458 0.514 104 HA VAL 14 HA VAL 14 7.305 2.294 2.794 105 HB VAL 14 HB VAL 14 6.918 4.266 1.414 106 HG11 VAL 14 HG11 VAL 14 9.293 2.696 0.327 107 HG12 VAL 14 HG12 VAL 14 9.101 4.461 0.335 108 HG13 VAL 14 HG13 VAL 14 9.270 3.592 1.871 109 HG21 VAL 14 HG21 VAL 14 5.694 3.225 -0.448 110 HG22 VAL 14 HG22 VAL 14 7.069 4.175 -1.039 111 HG23 VAL 14 HG23 VAL 14 7.185 2.402 -0.979 112 H ASP 15 H ASP 15 5.256 3.461 3.214 113 HA ASP 15 HA ASP 15 3.009 1.740 2.931 114 HB2 ASP 15 HB2 ASP 15 3.218 4.639 3.792 115 HB3 ASP 15 HB3 ASP 15 1.734 3.678 3.877 116 H ASP 16 H ASP 16 0.972 2.127 1.870 117 HA ASP 16 HA ASP 16 1.357 2.817 -0.879 118 HB2 ASP 16 HB2 ASP 16 -1.170 2.514 -0.963 119 HB3 ASP 16 HB3 ASP 16 -0.168 1.115 -0.508 120 H SER 17 H SER 17 0.425 4.710 1.851 121 HA SER 17 HA SER 17 -1.019 6.722 0.350 122 HB2 SER 17 HB2 SER 17 -0.928 7.976 2.464 123 HB3 SER 17 HB3 SER 17 -1.401 6.286 2.757 124 HG SER 17 HG SER 17 0.231 6.998 4.202 125 H LYS 18 H LYS 18 2.306 5.934 0.606 126 HA LYS 18 HA LYS 18 3.330 8.660 0.517 127 HB2 LYS 18 HB2 LYS 18 4.716 6.016 -0.070 128 HB3 LYS 18 HB3 LYS 18 5.504 7.573 0.242 129 HG2 LYS 18 HG2 LYS 18 3.774 6.023 2.210 130 HG3 LYS 18 HG3 LYS 18 5.541 6.151 2.247 131 HD2 LYS 18 HD2 LYS 18 5.341 8.619 2.530 132 HD3 LYS 18 HD3 LYS 18 3.567 8.447 2.587 133 HE2 LYS 18 HE2 LYS 18 3.764 6.960 4.542 134 HE3 LYS 18 HE3 LYS 18 5.528 7.095 4.485 135 HZ1 LYS 18 HZ1 LYS 18 4.558 8.589 6.085 136 HZ2 LYS 18 HZ2 LYS 18 5.295 9.446 4.887 137 HZ3 LYS 18 HZ3 LYS 18 3.652 9.321 4.928 138 H VAL 19 H VAL 19 1.792 6.694 -1.771 139 HA VAL 19 HA VAL 19 2.877 8.348 -3.967 140 HB VAL 19 HB VAL 19 2.688 5.319 -4.128 141 HG11 VAL 19 HG11 VAL 19 3.690 7.425 -6.082 142 HG12 VAL 19 HG12 VAL 19 3.826 5.664 -6.303 143 HG13 VAL 19 HG13 VAL 19 2.225 6.430 -6.259 144 HG21 VAL 19 HG21 VAL 19 4.621 5.947 -2.747 145 HG22 VAL 19 HG22 VAL 19 5.171 5.412 -4.344 146 HG23 VAL 19 HG23 VAL 19 5.125 7.145 -3.970 147 H GLY 20 H GLY 20 1.431 8.694 -5.673 148 HA2 GLY 20 HA2 GLY 20 -1.332 7.623 -5.261 149 HA3 GLY 20 HA3 GLY 20 -1.023 9.327 -5.609 150 HA PRO 21 HA PRO 21 -1.587 6.861 -9.550 151 HB2 PRO 21 HB2 PRO 21 -3.845 8.117 -10.473 152 HB3 PRO 21 HB3 PRO 21 -3.894 6.737 -9.326 153 HG2 PRO 21 HG2 PRO 21 -4.125 9.690 -8.732 154 HG3 PRO 21 HG3 PRO 21 -5.090 8.335 -8.064 155 HD2 PRO 21 HD2 PRO 21 -2.952 9.479 -6.744 156 HD3 PRO 21 HD3 PRO 21 -3.397 7.761 -6.544 157 H ASP 22 H ASP 22 -1.492 10.252 -8.627 158 HA ASP 22 HA ASP 22 -0.845 11.205 -11.323 159 HB2 ASP 22 HB2 ASP 22 -2.075 12.509 -9.515 160 HB3 ASP 22 HB3 ASP 22 -0.545 12.589 -8.623 161 H GLY 23 H GLY 23 0.743 9.361 -9.041 162 HA2 GLY 23 HA2 GLY 23 2.945 8.658 -9.018 163 HA3 GLY 23 HA3 GLY 23 3.392 9.963 -10.130 164 H ARG 24 H ARG 24 4.895 9.211 -7.836 165 HA ARG 24 HA ARG 24 5.081 11.794 -6.475 166 HB2 ARG 24 HB2 ARG 24 3.316 10.144 -5.323 167 HB3 ARG 24 HB3 ARG 24 4.781 9.396 -4.672 168 HG2 ARG 24 HG2 ARG 24 4.086 12.362 -4.410 169 HG3 ARG 24 HG3 ARG 24 3.707 11.134 -3.189 170 HD2 ARG 24 HD2 ARG 24 6.164 10.584 -3.082 171 HD3 ARG 24 HD3 ARG 24 6.465 12.001 -4.118 172 HE ARG 24 HE ARG 24 4.973 13.074 -2.113 173 HH11 ARG 24 HH11 ARG 24 7.887 11.075 -2.154 174 HH12 ARG 24 HH12 ARG 24 8.477 11.696 -0.629 175 HH21 ARG 24 HH21 ARG 24 5.770 13.874 -0.131 176 HH22 ARG 24 HH22 ARG 24 7.295 13.288 0.498 177 H VAL 25 H VAL 25 7.224 12.144 -5.948 178 HA VAL 25 HA VAL 25 9.169 10.204 -6.805 179 HB VAL 25 HB VAL 25 9.369 12.707 -6.976 180 HG11 VAL 25 HG11 VAL 25 10.085 12.458 -4.024 181 HG12 VAL 25 HG12 VAL 25 10.194 13.926 -5.028 182 HG13 VAL 25 HG13 VAL 25 8.606 13.211 -4.657 183 HG21 VAL 25 HG21 VAL 25 11.644 11.287 -5.523 184 HG22 VAL 25 HG22 VAL 25 11.308 11.181 -7.268 185 HG23 VAL 25 HG23 VAL 25 11.781 12.732 -6.540 186 H VAL 26 H VAL 26 10.789 9.144 -5.607 187 HA VAL 26 HA VAL 26 10.281 8.895 -2.695 188 HB VAL 26 HB VAL 26 10.381 6.536 -2.727 189 HG11 VAL 26 HG11 VAL 26 8.729 7.322 -5.168 190 HG12 VAL 26 HG12 VAL 26 8.509 5.879 -4.148 191 HG13 VAL 26 HG13 VAL 26 8.192 7.496 -3.482 192 HG21 VAL 26 HG21 VAL 26 12.196 6.257 -4.371 193 HG22 VAL 26 HG22 VAL 26 10.817 5.220 -4.776 194 HG23 VAL 26 HG23 VAL 26 11.089 6.724 -5.685 195 H ARG 27 H ARG 27 12.176 7.590 -1.639 196 HA ARG 27 HA ARG 27 14.745 8.265 -2.958 197 HB2 ARG 27 HB2 ARG 27 15.598 9.268 -0.910 198 HB3 ARG 27 HB3 ARG 27 14.169 10.150 -1.476 199 HG2 ARG 27 HG2 ARG 27 12.762 8.960 0.173 200 HG3 ARG 27 HG3 ARG 27 14.180 8.045 0.736 201 HD2 ARG 27 HD2 ARG 27 15.298 10.168 1.345 202 HD3 ARG 27 HD3 ARG 27 13.873 11.071 0.798 203 HE ARG 27 HE ARG 27 12.694 10.400 2.707 204 HH11 ARG 27 HH11 ARG 27 15.807 8.738 2.521 205 HH12 ARG 27 HH12 ARG 27 15.733 8.151 4.166 206 HH21 ARG 27 HH21 ARG 27 12.616 9.636 4.853 207 HH22 ARG 27 HH22 ARG 27 13.922 8.663 5.488 208 H CYS 28 H CYS 28 16.497 7.017 -2.338 209 HA CYS 28 HA CYS 28 15.785 4.341 -1.420 210 HB2 CYS 28 HB2 CYS 28 17.283 4.836 -3.367 211 HB3 CYS 28 HB3 CYS 28 18.472 5.522 -2.242 212 H ALA 29 H ALA 29 16.301 3.418 0.513 213 HA ALA 29 HA ALA 29 17.349 5.110 2.649 214 HB1 ALA 29 HB1 ALA 29 16.924 3.122 4.038 215 HB2 ALA 29 HB2 ALA 29 15.504 3.526 3.031 216 HB3 ALA 29 HB3 ALA 29 16.573 2.173 2.579 217 H SER 30 H SER 30 18.791 3.249 0.175 218 HA SER 30 HA SER 30 21.033 2.420 1.952 219 HB2 SER 30 HB2 SER 30 19.916 1.234 -0.604 220 HB3 SER 30 HB3 SER 30 21.457 0.731 0.123 221 HG SER 30 HG SER 30 19.664 -0.540 0.819 222 H CYS 31 H CYS 31 20.254 4.489 -0.769 223 HA CYS 31 HA CYS 31 23.096 5.246 -0.787 224 HB2 CYS 31 HB2 CYS 31 23.415 5.038 -3.145 225 HB3 CYS 31 HB3 CYS 31 22.841 3.472 -2.531 226 H GLY 32 H GLY 32 19.851 6.162 -0.806 227 HA2 GLY 32 HA2 GLY 32 19.062 8.315 -0.520 228 HA3 GLY 32 HA3 GLY 32 20.685 8.945 -0.857 229 H ASN 33 H ASN 33 19.878 6.820 -3.345 230 HA ASN 33 HA ASN 33 19.583 8.840 -5.323 231 HB2 ASN 33 HB2 ASN 33 20.400 6.470 -5.638 232 HB3 ASN 33 HB3 ASN 33 18.733 5.917 -5.442 233 HD21 ASN 33 HD22 ASN 33 18.658 5.054 -7.564 234 HD22 ASN 33 HD21 ASN 33 18.565 6.088 -8.976 235 H ARG 34 H ARG 34 17.700 9.365 -6.627 236 HA ARG 34 HA ARG 34 15.094 8.779 -5.318 237 HB2 ARG 34 HB2 ARG 34 16.053 11.526 -6.199 238 HB3 ARG 34 HB3 ARG 34 14.431 11.132 -5.583 239 HG2 ARG 34 HG2 ARG 34 15.481 10.351 -3.444 240 HG3 ARG 34 HG3 ARG 34 17.057 10.903 -4.054 241 HD2 ARG 34 HD2 ARG 34 14.599 12.653 -3.672 242 HD3 ARG 34 HD3 ARG 34 15.990 12.581 -2.576 243 HE ARG 34 HE ARG 34 17.379 13.370 -4.530 244 HH11 ARG 34 HH11 ARG 34 13.915 14.097 -4.354 245 HH12 ARG 34 HH12 ARG 34 14.053 15.526 -5.353 246 HH21 ARG 34 HH21 ARG 34 17.512 15.234 -5.833 247 HH22 ARG 34 HH22 ARG 34 16.076 16.168 -6.183 248 H TRP 35 H TRP 35 13.312 8.728 -6.654 249 HA TRP 35 HA TRP 35 13.474 9.477 -9.463 250 HB2 TRP 35 HB2 TRP 35 13.128 7.247 -10.359 251 HB3 TRP 35 HB3 TRP 35 14.658 7.303 -9.487 252 HD1 TRP 35 HD1 TRP 35 11.255 5.668 -9.461 253 HE1 TRP 35 HE1 TRP 35 11.144 3.818 -7.722 254 HE3 TRP 35 HE3 TRP 35 15.722 6.519 -7.116 255 HZ2 TRP 35 HZ2 TRP 35 12.794 2.807 -5.571 256 HZ3 TRP 35 HZ3 TRP 35 16.424 5.084 -5.233 257 HH2 TRP 35 HH2 TRP 35 14.978 3.230 -4.448 258 H THR 36 H THR 36 11.353 9.144 -10.538 259 HA THR 36 HA THR 36 9.209 9.547 -8.662 260 HB THR 36 HB THR 36 8.718 9.151 -11.584 261 HG1 THR 36 HG1 THR 36 9.384 11.278 -11.898 262 HG21 THR 36 HG21 THR 36 7.114 10.992 -11.145 263 HG22 THR 36 HG22 THR 36 6.825 9.611 -10.071 264 HG23 THR 36 HG23 THR 36 7.659 11.060 -9.454 265 H ALA 37 H ALA 37 7.529 8.286 -8.054 266 HA ALA 37 HA ALA 37 7.434 5.521 -9.171 267 HB1 ALA 37 HB1 ALA 37 6.874 6.442 -6.325 268 HB2 ALA 37 HB2 ALA 37 6.741 4.778 -6.931 269 HB3 ALA 37 HB3 ALA 37 8.332 5.572 -6.866 270 H PHE 38 H PHE 38 5.217 4.520 -8.888 271 HA PHE 38 HA PHE 38 3.031 6.430 -8.634 272 HB2 PHE 38 HB2 PHE 38 2.054 5.576 -10.862 273 HB3 PHE 38 HB3 PHE 38 3.265 6.859 -10.845 274 HD1 PHE 38 HD1 PHE 38 2.685 3.291 -11.632 275 HD2 PHE 38 HD2 PHE 38 5.495 6.547 -11.727 276 HE1 PHE 38 HE1 PHE 38 4.138 1.995 -13.171 277 HE2 PHE 38 HE2 PHE 38 6.945 5.250 -13.259 278 HZ PHE 38 HZ PHE 38 6.260 2.974 -13.988 279 H LYS 39 H LYS 39 0.945 5.581 -8.373 280 HA LYS 39 HA LYS 39 0.963 3.155 -6.843 281 HB2 LYS 39 HB2 LYS 39 -0.519 5.096 -6.383 282 HB3 LYS 39 HB3 LYS 39 -1.350 4.823 -7.922 283 HG2 LYS 39 HG2 LYS 39 -2.660 3.878 -6.096 284 HG3 LYS 39 HG3 LYS 39 -2.076 2.594 -7.161 285 HD2 LYS 39 HD2 LYS 39 -1.867 1.998 -4.763 286 HD3 LYS 39 HD3 LYS 39 -0.302 2.016 -5.588 287 HE2 LYS 39 HE2 LYS 39 -0.093 3.078 -3.400 288 HE3 LYS 39 HE3 LYS 39 0.160 4.272 -4.680 289 HZ1 LYS 39 HZ1 LYS 39 -1.255 5.109 -2.955 290 HZ2 LYS 39 HZ2 LYS 39 -2.098 5.011 -4.363 291 HZ3 LYS 39 HZ3 LYS 39 -2.340 3.890 -3.178 292 H ASP 40 H ASP 40 -0.045 1.156 -7.271 293 HA ASP 40 HA ASP 40 -1.103 0.622 -9.970 294 HB2 ASP 40 HB2 ASP 40 1.397 0.410 -10.104 295 HB3 ASP 40 HB3 ASP 40 1.337 -0.810 -8.823 296 H GLU 41 H GLU 41 -0.546 -0.169 -6.585 297 HA GLU 41 HA GLU 41 -1.886 -2.697 -6.521 298 HB2 GLU 41 HB2 GLU 41 -1.359 -0.558 -4.407 299 HB3 GLU 41 HB3 GLU 41 -2.125 -2.112 -4.074 300 HG2 GLU 41 HG2 GLU 41 0.104 -2.549 -3.578 301 HG3 GLU 41 HG3 GLU 41 -0.043 -3.178 -5.223 302 H ALA 42 H ALA 42 -3.037 0.533 -6.970 303 HA ALA 42 HA ALA 42 -5.808 -0.346 -6.661 304 HB1 ALA 42 HB1 ALA 42 -4.662 1.924 -4.981 305 HB2 ALA 42 HB2 ALA 42 -6.364 1.400 -5.023 306 HB3 ALA 42 HB3 ALA 42 -5.110 0.317 -4.368 307 H GLU 43 H GLU 43 -3.997 0.571 -8.821 308 HA GLU 43 HA GLU 43 -5.781 2.612 -9.927 309 HB2 GLU 43 HB2 GLU 43 -4.130 4.030 -8.874 310 HB3 GLU 43 HB3 GLU 43 -2.806 3.017 -9.460 311 HG2 GLU 43 HG2 GLU 43 -2.905 5.042 -10.781 312 HG3 GLU 43 HG3 GLU 43 -3.324 3.660 -11.799 313 H LEU 44 H LEU 44 -5.881 2.559 -12.159 314 HA LEU 44 HA LEU 44 -5.866 1.624 -14.189 315 HB2 LEU 44 HB2 LEU 44 -3.583 2.521 -14.171 316 HB3 LEU 44 HB3 LEU 44 -2.960 1.003 -13.518 317 HG LEU 44 HG LEU 44 -3.608 -0.189 -15.575 318 HD11 LEU 44 HD11 LEU 44 -4.412 1.134 -17.536 319 HD12 LEU 44 HD12 LEU 44 -5.602 1.130 -16.221 320 HD13 LEU 44 HD13 LEU 44 -4.581 2.562 -16.488 321 HD21 LEU 44 HD21 LEU 44 -1.404 0.904 -15.433 322 HD22 LEU 44 HD22 LEU 44 -2.024 0.913 -17.100 323 HD23 LEU 44 HD23 LEU 44 -2.096 2.395 -16.117 324 H GLU 45 H GLU 45 -5.738 -0.244 -11.469 325 HA GLU 45 HA GLU 45 -6.469 -2.684 -12.981 326 HB2 GLU 45 HB2 GLU 45 -4.421 -2.551 -10.732 327 HB3 GLU 45 HB3 GLU 45 -5.130 -4.052 -11.343 328 HG2 GLU 45 HG2 GLU 45 -3.524 -2.078 -13.019 329 HG3 GLU 45 HG3 GLU 45 -2.888 -3.570 -12.305 330 H LEU 46 H LEU 46 -7.651 -4.231 -11.619 331 HA LEU 46 HA LEU 46 -9.463 -4.671 -10.330 332 HB2 LEU 46 HB2 LEU 46 -8.082 -2.928 -8.267 333 HB3 LEU 46 HB3 LEU 46 -9.272 -4.210 -7.960 334 HG LEU 46 HG LEU 46 -6.499 -4.621 -9.165 335 HD11 LEU 46 HD11 LEU 46 -6.454 -4.020 -6.772 336 HD12 LEU 46 HD12 LEU 46 -7.652 -5.286 -6.423 337 HD13 LEU 46 HD13 LEU 46 -6.032 -5.733 -7.004 338 HD21 LEU 46 HD21 LEU 46 -8.102 -6.291 -9.994 339 HD22 LEU 46 HD22 LEU 46 -7.015 -7.033 -8.799 340 HD23 LEU 46 HD23 LEU 46 -8.672 -6.592 -8.328 341 H VAL 47 H VAL 47 -9.460 -2.148 -12.016 342 HA VAL 47 HA VAL 47 -11.033 -0.190 -10.645 343 HB VAL 47 HB VAL 47 -11.363 0.798 -12.826 344 HG11 VAL 47 HG11 VAL 47 -8.596 -0.481 -12.705 345 HG12 VAL 47 HG12 VAL 47 -9.047 1.017 -13.554 346 HG13 VAL 47 HG13 VAL 47 -9.102 0.948 -11.775 347 HG21 VAL 47 HG21 VAL 47 -10.285 -1.816 -13.959 348 HG22 VAL 47 HG22 VAL 47 -11.954 -1.220 -14.115 349 HG23 VAL 47 HG23 VAL 47 -10.617 -0.344 -14.894 350 HA PRO 48 HA PRO 48 -15.013 -2.054 -10.761 351 HB2 PRO 48 HB2 PRO 48 -16.657 0.135 -10.683 352 HB3 PRO 48 HB3 PRO 48 -15.627 -0.346 -9.298 353 HG2 PRO 48 HG2 PRO 48 -15.081 1.771 -11.395 354 HG3 PRO 48 HG3 PRO 48 -14.858 1.869 -9.617 355 HD2 PRO 48 HD2 PRO 48 -12.800 1.315 -11.360 356 HD3 PRO 48 HD3 PRO 48 -12.860 0.653 -9.701 357 H ARG 49 H ARG 49 -13.813 -0.171 -13.365 358 HA ARG 49 HA ARG 49 -16.143 -0.048 -15.026 359 HB2 ARG 49 HB2 ARG 49 -14.206 1.392 -15.370 360 HB3 ARG 49 HB3 ARG 49 -13.170 -0.012 -15.692 361 HG2 ARG 49 HG2 ARG 49 -14.508 -0.564 -17.693 362 HG3 ARG 49 HG3 ARG 49 -15.594 0.803 -17.349 363 HD2 ARG 49 HD2 ARG 49 -13.673 2.364 -17.551 364 HD3 ARG 49 HD3 ARG 49 -12.602 1.003 -17.913 365 HE ARG 49 HE ARG 49 -13.564 0.764 -20.041 366 HH11 ARG 49 HH11 ARG 49 -15.170 3.317 -18.181 367 HH12 ARG 49 HH12 ARG 49 -15.931 4.017 -19.591 368 HH21 ARG 49 HH21 ARG 49 -14.585 1.692 -21.850 369 HH22 ARG 49 HH22 ARG 49 -15.619 3.090 -21.655 Start of MODEL 16 1 H1 MET 1 H1 MET 1 2.237 -1.204 -0.410 2 H2 MET 1 H2 MET 1 3.584 -0.418 0.119 3 H3 MET 1 H3 MET 1 3.520 -2.055 0.183 4 HA MET 1 HA MET 1 3.477 -2.243 -2.179 5 HB2 MET 1 HB2 MET 1 3.742 -0.258 -3.578 6 HB3 MET 1 HB3 MET 1 2.279 -0.117 -2.593 7 HG2 MET 1 HG2 MET 1 3.584 1.248 -0.935 8 HG3 MET 1 HG3 MET 1 4.964 1.207 -2.035 9 HE1 MET 1 HE1 MET 1 3.675 1.527 -4.915 10 HE2 MET 1 HE2 MET 1 3.768 3.297 -5.084 11 HE3 MET 1 HE3 MET 1 5.103 2.411 -4.320 12 H ILE 2 H ILE 2 5.498 -1.900 -3.594 13 HA ILE 2 HA ILE 2 7.864 -1.326 -1.916 14 HB ILE 2 HB ILE 2 7.056 -3.825 -1.953 15 HG12 ILE 2 HG12 ILE 2 9.952 -3.280 -2.637 16 HG13 ILE 2 HG13 ILE 2 9.221 -2.780 -1.094 17 HG21 ILE 2 HG21 ILE 2 8.670 -3.736 -4.539 18 HG22 ILE 2 HG22 ILE 2 7.955 -5.165 -3.780 19 HG23 ILE 2 HG23 ILE 2 6.899 -3.914 -4.474 20 HD11 ILE 2 HD11 ILE 2 10.311 -4.957 -0.833 21 HD12 ILE 2 HD12 ILE 2 8.550 -5.095 -0.622 22 HD13 ILE 2 HD13 ILE 2 9.311 -5.636 -2.139 23 H LEU 3 H LEU 3 9.749 -0.798 -3.097 24 HA LEU 3 HA LEU 3 9.396 -0.388 -6.025 25 HB2 LEU 3 HB2 LEU 3 10.393 1.608 -3.959 26 HB3 LEU 3 HB3 LEU 3 10.527 1.839 -5.709 27 HG LEU 3 HG LEU 3 7.866 1.409 -4.272 28 HD11 LEU 3 HD11 LEU 3 9.172 3.989 -5.202 29 HD12 LEU 3 HD12 LEU 3 7.546 3.825 -4.498 30 HD13 LEU 3 HD13 LEU 3 8.984 3.478 -3.505 31 HD21 LEU 3 HD21 LEU 3 8.601 2.451 -7.044 32 HD22 LEU 3 HD22 LEU 3 7.859 0.872 -6.701 33 HD23 LEU 3 HD23 LEU 3 6.953 2.365 -6.382 34 H THR 4 H THR 4 11.320 -0.458 -7.239 35 HA THR 4 HA THR 4 13.607 -1.639 -5.776 36 HB THR 4 HB THR 4 13.304 -1.745 -8.757 37 HG1 THR 4 HG1 THR 4 12.185 -3.676 -8.447 38 HG21 THR 4 HG21 THR 4 14.551 -3.607 -6.687 39 HG22 THR 4 HG22 THR 4 14.591 -3.829 -8.450 40 HG23 THR 4 HG23 THR 4 15.444 -2.459 -7.713 41 H CYS 5 H CYS 5 15.627 -0.799 -5.753 42 HA CYS 5 HA CYS 5 15.882 1.971 -6.556 43 HB2 CYS 5 HB2 CYS 5 16.874 1.127 -4.486 44 HB3 CYS 5 HB3 CYS 5 17.883 0.000 -5.412 45 HA PRO 6 HA PRO 6 17.550 1.081 -10.631 46 HB2 PRO 6 HB2 PRO 6 18.712 3.818 -10.394 47 HB3 PRO 6 HB3 PRO 6 17.636 3.157 -11.660 48 HG2 PRO 6 HG2 PRO 6 16.725 4.920 -9.781 49 HG3 PRO 6 HG3 PRO 6 15.703 3.569 -10.374 50 HD2 PRO 6 HD2 PRO 6 17.282 3.740 -7.804 51 HD3 PRO 6 HD3 PRO 6 15.643 3.086 -8.101 52 H GLU 7 H GLU 7 19.335 1.974 -7.770 53 HA GLU 7 HA GLU 7 21.926 1.418 -9.153 54 HB2 GLU 7 HB2 GLU 7 21.365 2.977 -6.601 55 HB3 GLU 7 HB3 GLU 7 22.962 2.725 -7.318 56 HG2 GLU 7 HG2 GLU 7 20.631 4.134 -8.693 57 HG3 GLU 7 HG3 GLU 7 21.953 4.955 -7.860 58 H CYS 8 H CYS 8 20.048 0.762 -6.139 59 HA CYS 8 HA CYS 8 22.071 -1.143 -5.237 60 HB2 CYS 8 HB2 CYS 8 19.264 -0.578 -4.179 61 HB3 CYS 8 HB3 CYS 8 20.491 -1.592 -3.407 62 H ALA 9 H ALA 9 19.368 -1.180 -7.370 63 HA ALA 9 HA ALA 9 18.191 -2.805 -8.422 64 HB1 ALA 9 HB1 ALA 9 20.726 -4.428 -7.962 65 HB2 ALA 9 HB2 ALA 9 19.462 -4.760 -9.171 66 HB3 ALA 9 HB3 ALA 9 20.451 -3.287 -9.299 67 H SER 10 H SER 10 17.705 -2.523 -5.641 68 HA SER 10 HA SER 10 16.836 -5.274 -4.940 69 HB2 SER 10 HB2 SER 10 18.994 -4.731 -3.803 70 HB3 SER 10 HB3 SER 10 18.216 -3.328 -3.050 71 HG SER 10 HG SER 10 18.169 -5.201 -1.709 72 H ARG 11 H ARG 11 15.076 -5.294 -3.379 73 HA ARG 11 HA ARG 11 13.214 -3.118 -4.004 74 HB2 ARG 11 HB2 ARG 11 12.878 -5.790 -2.602 75 HB3 ARG 11 HB3 ARG 11 11.560 -4.638 -2.909 76 HG2 ARG 11 HG2 ARG 11 12.099 -4.724 -5.356 77 HG3 ARG 11 HG3 ARG 11 13.311 -5.980 -5.016 78 HD2 ARG 11 HD2 ARG 11 11.553 -7.419 -4.042 79 HD3 ARG 11 HD3 ARG 11 10.348 -6.162 -4.334 80 HE ARG 11 HE ARG 11 10.395 -6.614 -6.642 81 HH11 ARG 11 HH11 ARG 11 12.761 -8.579 -4.901 82 HH12 ARG 11 HH12 ARG 11 13.016 -9.673 -6.242 83 HH21 ARG 11 HH21 ARG 11 10.746 -8.053 -8.373 84 HH22 ARG 11 HH22 ARG 11 11.865 -9.385 -8.198 85 H TYR 12 H TYR 12 12.002 -1.970 -2.500 86 HA TYR 12 HA TYR 12 12.606 -2.184 0.343 87 HB2 TYR 12 HB2 TYR 12 14.372 -0.724 -0.172 88 HB3 TYR 12 HB3 TYR 12 13.371 0.231 -1.277 89 HD1 TYR 12 HD2 TYR 12 14.090 -0.476 2.289 90 HD2 TYR 12 HD1 TYR 12 11.881 1.954 -0.494 91 HE1 TYR 12 HE2 TYR 12 13.549 1.118 4.115 92 HE2 TYR 12 HE1 TYR 12 11.368 3.569 1.319 93 HH TYR 12 HH TYR 12 12.495 3.065 4.681 94 H PHE 13 H PHE 13 10.920 -1.599 1.652 95 HA PHE 13 HA PHE 13 8.486 -1.068 0.084 96 HB2 PHE 13 HB2 PHE 13 7.326 -2.095 2.115 97 HB3 PHE 13 HB3 PHE 13 8.218 -3.120 0.999 98 HD1 PHE 13 HD2 PHE 13 8.290 -1.611 4.377 99 HD2 PHE 13 HD1 PHE 13 10.221 -4.298 1.629 100 HE1 PHE 13 HE2 PHE 13 9.680 -2.505 6.224 101 HE2 PHE 13 HE1 PHE 13 11.589 -5.213 3.485 102 HZ PHE 13 HZ PHE 13 11.328 -4.312 5.778 103 H VAL 14 H VAL 14 6.799 0.194 0.673 104 HA VAL 14 HA VAL 14 7.109 2.044 2.940 105 HB VAL 14 HB VAL 14 6.690 4.011 1.544 106 HG11 VAL 14 HG11 VAL 14 9.056 2.436 0.443 107 HG12 VAL 14 HG12 VAL 14 8.859 4.199 0.429 108 HG13 VAL 14 HG13 VAL 14 9.052 3.348 1.975 109 HG21 VAL 14 HG21 VAL 14 5.445 2.943 -0.285 110 HG22 VAL 14 HG22 VAL 14 6.817 3.870 -0.924 111 HG23 VAL 14 HG23 VAL 14 6.925 2.103 -0.821 112 H ASP 15 H ASP 15 5.053 3.285 3.297 113 HA ASP 15 HA ASP 15 2.781 1.570 3.068 114 HB2 ASP 15 HB2 ASP 15 3.041 4.484 3.851 115 HB3 ASP 15 HB3 ASP 15 1.528 3.569 3.932 116 H ASP 16 H ASP 16 0.780 1.899 1.957 117 HA ASP 16 HA ASP 16 1.204 2.547 -0.789 118 HB2 ASP 16 HB2 ASP 16 -1.339 2.236 -0.900 119 HB3 ASP 16 HB3 ASP 16 -0.336 0.853 -0.418 120 H SER 17 H SER 17 0.268 4.513 1.872 121 HA SER 17 HA SER 17 -1.149 6.501 0.301 122 HB2 SER 17 HB2 SER 17 -1.086 7.808 2.383 123 HB3 SER 17 HB3 SER 17 -1.575 6.132 2.718 124 HG SER 17 HG SER 17 0.037 6.874 4.163 125 H LYS 18 H LYS 18 2.155 5.682 0.566 126 HA LYS 18 HA LYS 18 3.198 8.404 0.473 127 HB2 LYS 18 HB2 LYS 18 4.564 5.739 -0.052 128 HB3 LYS 18 HB3 LYS 18 5.372 7.294 0.205 129 HG2 LYS 18 HG2 LYS 18 3.628 5.822 2.230 130 HG3 LYS 18 HG3 LYS 18 5.399 5.945 2.255 131 HD2 LYS 18 HD2 LYS 18 5.190 8.431 2.461 132 HD3 LYS 18 HD3 LYS 18 3.421 8.253 2.540 133 HE2 LYS 18 HE2 LYS 18 3.656 6.802 4.527 134 HE3 LYS 18 HE3 LYS 18 5.417 6.985 4.457 135 HZ1 LYS 18 HZ1 LYS 18 3.481 9.169 4.861 136 HZ2 LYS 18 HZ2 LYS 18 4.436 8.508 6.024 137 HZ3 LYS 18 HZ3 LYS 18 5.119 9.344 4.787 138 H VAL 19 H VAL 19 1.700 6.413 -1.818 139 HA VAL 19 HA VAL 19 2.797 8.065 -4.015 140 HB VAL 19 HB VAL 19 2.623 5.040 -4.183 141 HG11 VAL 19 HG11 VAL 19 2.233 6.168 -6.328 142 HG12 VAL 19 HG12 VAL 19 3.683 7.174 -6.082 143 HG13 VAL 19 HG13 VAL 19 3.840 5.422 -6.325 144 HG21 VAL 19 HG21 VAL 19 4.509 5.641 -2.746 145 HG22 VAL 19 HG22 VAL 19 5.116 5.141 -4.333 146 HG23 VAL 19 HG23 VAL 19 5.048 6.868 -3.921 147 H GLY 20 H GLY 20 1.350 8.451 -5.697 148 HA2 GLY 20 HA2 GLY 20 -1.368 7.248 -5.398 149 HA3 GLY 20 HA3 GLY 20 -1.132 8.974 -5.694 150 HA PRO 21 HA PRO 21 -1.444 6.643 -9.748 151 HB2 PRO 21 HB2 PRO 21 -3.697 7.887 -10.711 152 HB3 PRO 21 HB3 PRO 21 -3.750 6.435 -9.657 153 HG2 PRO 21 HG2 PRO 21 -4.131 9.332 -8.886 154 HG3 PRO 21 HG3 PRO 21 -5.059 7.898 -8.345 155 HD2 PRO 21 HD2 PRO 21 -3.029 9.055 -6.877 156 HD3 PRO 21 HD3 PRO 21 -3.407 7.306 -6.788 157 H ASP 22 H ASP 22 -1.574 10.014 -8.678 158 HA ASP 22 HA ASP 22 -0.759 11.096 -11.249 159 HB2 ASP 22 HB2 ASP 22 -0.914 12.244 -8.442 160 HB3 ASP 22 HB3 ASP 22 -0.431 13.176 -9.866 161 H GLY 23 H GLY 23 0.844 9.245 -8.970 162 HA2 GLY 23 HA2 GLY 23 3.068 8.632 -8.939 163 HA3 GLY 23 HA3 GLY 23 3.461 9.950 -10.053 164 H ARG 24 H ARG 24 5.031 9.283 -7.805 165 HA ARG 24 HA ARG 24 5.144 11.871 -6.477 166 HB2 ARG 24 HB2 ARG 24 3.461 10.594 -5.102 167 HB3 ARG 24 HB3 ARG 24 4.685 9.332 -4.858 168 HG2 ARG 24 HG2 ARG 24 4.579 10.808 -2.916 169 HG3 ARG 24 HG3 ARG 24 6.154 10.969 -3.716 170 HD2 ARG 24 HD2 ARG 24 5.401 13.042 -4.812 171 HD3 ARG 24 HD3 ARG 24 3.785 12.850 -4.114 172 HE ARG 24 HE ARG 24 6.271 13.644 -2.704 173 HH11 ARG 24 HH11 ARG 24 2.825 12.881 -2.541 174 HH12 ARG 24 HH12 ARG 24 2.609 13.640 -0.978 175 HH21 ARG 24 HH21 ARG 24 5.971 14.608 -0.655 176 HH22 ARG 24 HH22 ARG 24 4.389 14.616 0.084 177 H VAL 25 H VAL 25 7.245 12.245 -5.645 178 HA VAL 25 HA VAL 25 9.260 10.444 -6.710 179 HB VAL 25 HB VAL 25 9.346 12.972 -6.765 180 HG11 VAL 25 HG11 VAL 25 8.730 13.340 -4.376 181 HG12 VAL 25 HG12 VAL 25 10.269 12.589 -3.884 182 HG13 VAL 25 HG13 VAL 25 10.280 14.105 -4.809 183 HG21 VAL 25 HG21 VAL 25 11.281 11.518 -7.273 184 HG22 VAL 25 HG22 VAL 25 11.781 13.018 -6.464 185 HG23 VAL 25 HG23 VAL 25 11.721 11.499 -5.546 186 H VAL 26 H VAL 26 10.887 9.340 -5.602 187 HA VAL 26 HA VAL 26 10.526 9.030 -2.679 188 HB VAL 26 HB VAL 26 10.558 6.668 -2.761 189 HG11 VAL 26 HG11 VAL 26 8.742 7.573 -5.039 190 HG12 VAL 26 HG12 VAL 26 8.560 6.106 -4.048 191 HG13 VAL 26 HG13 VAL 26 8.350 7.700 -3.307 192 HG21 VAL 26 HG21 VAL 26 10.800 5.380 -4.851 193 HG22 VAL 26 HG22 VAL 26 11.024 6.887 -5.763 194 HG23 VAL 26 HG23 VAL 26 12.231 6.384 -4.563 195 H ARG 27 H ARG 27 12.424 7.791 -1.699 196 HA ARG 27 HA ARG 27 14.931 8.281 -3.194 197 HB2 ARG 27 HB2 ARG 27 14.429 10.334 -1.885 198 HB3 ARG 27 HB3 ARG 27 14.394 9.365 -0.398 199 HG2 ARG 27 HG2 ARG 27 16.744 8.708 -0.743 200 HG3 ARG 27 HG3 ARG 27 16.778 9.599 -2.285 201 HD2 ARG 27 HD2 ARG 27 16.246 11.694 -1.043 202 HD3 ARG 27 HD3 ARG 27 16.337 10.780 0.474 203 HE ARG 27 HE ARG 27 18.657 10.916 -1.415 204 HH11 ARG 27 HH11 ARG 27 17.290 11.451 1.806 205 HH12 ARG 27 HH12 ARG 27 18.841 11.800 2.532 206 HH21 ARG 27 HH21 ARG 27 20.657 11.403 -0.448 207 HH22 ARG 27 HH22 ARG 27 20.743 11.779 1.259 208 H CYS 28 H CYS 28 16.646 6.996 -2.600 209 HA CYS 28 HA CYS 28 15.951 4.430 -1.514 210 HB2 CYS 28 HB2 CYS 28 17.624 5.005 -3.353 211 HB3 CYS 28 HB3 CYS 28 18.732 5.521 -2.073 212 H ALA 29 H ALA 29 16.715 3.420 0.382 213 HA ALA 29 HA ALA 29 17.098 5.229 2.637 214 HB1 ALA 29 HB1 ALA 29 17.032 2.189 2.448 215 HB2 ALA 29 HB2 ALA 29 16.974 3.144 3.946 216 HB3 ALA 29 HB3 ALA 29 15.636 3.247 2.783 217 H SER 30 H SER 30 19.171 3.464 0.448 218 HA SER 30 HA SER 30 21.351 3.513 2.481 219 HB2 SER 30 HB2 SER 30 22.349 1.667 1.173 220 HB3 SER 30 HB3 SER 30 20.750 1.267 1.833 221 HG SER 30 HG SER 30 21.028 0.699 -0.403 222 H CYS 31 H CYS 31 20.907 3.781 -1.125 223 HA CYS 31 HA CYS 31 23.535 5.108 -1.197 224 HB2 CYS 31 HB2 CYS 31 23.559 4.692 -3.514 225 HB3 CYS 31 HB3 CYS 31 22.887 3.228 -2.761 226 H GLY 32 H GLY 32 20.283 6.064 -0.955 227 HA2 GLY 32 HA2 GLY 32 19.506 8.210 -0.649 228 HA3 GLY 32 HA3 GLY 32 21.118 8.837 -1.044 229 H ASN 33 H ASN 33 20.102 6.712 -3.493 230 HA ASN 33 HA ASN 33 19.900 8.729 -5.483 231 HB2 ASN 33 HB2 ASN 33 20.510 6.318 -5.809 232 HB3 ASN 33 HB3 ASN 33 18.823 5.885 -5.515 233 HD21 ASN 33 HD22 ASN 33 18.501 5.016 -7.584 234 HD22 ASN 33 HD21 ASN 33 18.424 6.022 -9.020 235 H ARG 34 H ARG 34 18.043 9.388 -6.735 236 HA ARG 34 HA ARG 34 15.430 9.173 -5.311 237 HB2 ARG 34 HB2 ARG 34 16.495 11.261 -4.605 238 HB3 ARG 34 HB3 ARG 34 16.798 11.706 -6.292 239 HG2 ARG 34 HG2 ARG 34 14.324 11.695 -6.698 240 HG3 ARG 34 HG3 ARG 34 14.076 11.372 -4.966 241 HD2 ARG 34 HD2 ARG 34 15.527 13.781 -6.142 242 HD3 ARG 34 HD3 ARG 34 13.864 13.794 -5.546 243 HE ARG 34 HE ARG 34 16.335 13.684 -3.940 244 HH11 ARG 34 HH11 ARG 34 12.810 13.412 -3.999 245 HH12 ARG 34 HH12 ARG 34 12.638 13.744 -2.291 246 HH21 ARG 34 HH21 ARG 34 16.078 14.116 -1.709 247 HH22 ARG 34 HH22 ARG 34 14.480 14.120 -0.995 248 H TRP 35 H TRP 35 13.677 8.958 -6.617 249 HA TRP 35 HA TRP 35 13.751 9.725 -9.424 250 HB2 TRP 35 HB2 TRP 35 13.459 7.523 -10.343 251 HB3 TRP 35 HB3 TRP 35 14.960 7.541 -9.426 252 HD1 TRP 35 HD1 TRP 35 11.600 5.885 -9.657 253 HE1 TRP 35 HE1 TRP 35 11.363 4.002 -7.966 254 HE3 TRP 35 HE3 TRP 35 15.797 6.786 -6.867 255 HZ2 TRP 35 HZ2 TRP 35 12.791 3.016 -5.649 256 HZ3 TRP 35 HZ3 TRP 35 16.315 5.365 -4.919 257 HH2 TRP 35 HH2 TRP 35 14.836 3.469 -4.307 258 H THR 36 H THR 36 11.608 9.352 -10.452 259 HA THR 36 HA THR 36 9.491 9.685 -8.495 260 HB THR 36 HB THR 36 8.978 9.522 -11.442 261 HG1 THR 36 HG1 THR 36 9.630 11.679 -11.565 262 HG21 THR 36 HG21 THR 36 7.911 11.247 -9.168 263 HG22 THR 36 HG22 THR 36 7.367 11.314 -10.856 264 HG23 THR 36 HG23 THR 36 7.081 9.849 -9.901 265 H ALA 37 H ALA 37 7.702 8.439 -8.085 266 HA ALA 37 HA ALA 37 7.694 5.710 -9.288 267 HB1 ALA 37 HB1 ALA 37 7.053 6.501 -6.418 268 HB2 ALA 37 HB2 ALA 37 6.981 4.858 -7.102 269 HB3 ALA 37 HB3 ALA 37 8.544 5.690 -6.956 270 H PHE 38 H PHE 38 5.495 4.667 -9.140 271 HA PHE 38 HA PHE 38 3.256 6.491 -8.800 272 HB2 PHE 38 HB2 PHE 38 2.373 5.841 -11.132 273 HB3 PHE 38 HB3 PHE 38 3.574 7.129 -10.969 274 HD1 PHE 38 HD2 PHE 38 3.070 3.611 -12.024 275 HD2 PHE 38 HD1 PHE 38 5.783 6.947 -11.868 276 HE1 PHE 38 HE2 PHE 38 4.587 2.460 -13.623 277 HE2 PHE 38 HE1 PHE 38 7.303 5.787 -13.444 278 HZ PHE 38 HZ PHE 38 6.705 3.546 -14.325 279 H LYS 39 H LYS 39 1.227 5.578 -8.568 280 HA LYS 39 HA LYS 39 1.320 2.861 -7.539 281 HB2 LYS 39 HB2 LYS 39 0.077 4.611 -6.403 282 HB3 LYS 39 HB3 LYS 39 -0.937 4.876 -7.830 283 HG2 LYS 39 HG2 LYS 39 -1.987 2.746 -7.629 284 HG3 LYS 39 HG3 LYS 39 -0.766 2.161 -6.475 285 HD2 LYS 39 HD2 LYS 39 -2.666 4.471 -5.898 286 HD3 LYS 39 HD3 LYS 39 -2.956 2.783 -5.408 287 HE2 LYS 39 HE2 LYS 39 -0.827 2.776 -4.159 288 HE3 LYS 39 HE3 LYS 39 -0.533 4.458 -4.627 289 HZ1 LYS 39 HZ1 LYS 39 -2.785 3.503 -2.997 290 HZ2 LYS 39 HZ2 LYS 39 -1.477 4.353 -2.460 291 HZ3 LYS 39 HZ3 LYS 39 -2.557 5.063 -3.474 292 H ASP 40 H ASP 40 0.006 1.114 -8.215 293 HA ASP 40 HA ASP 40 -1.266 1.219 -10.858 294 HB2 ASP 40 HB2 ASP 40 1.226 0.893 -11.253 295 HB3 ASP 40 HB3 ASP 40 1.113 -0.623 -10.342 296 H GLU 41 H GLU 41 -1.785 0.616 -7.875 297 HA GLU 41 HA GLU 41 -2.198 -2.220 -7.665 298 HB2 GLU 41 HB2 GLU 41 -1.800 -0.792 -5.712 299 HB3 GLU 41 HB3 GLU 41 -3.206 0.205 -6.122 300 HG2 GLU 41 HG2 GLU 41 -3.772 -1.260 -4.302 301 HG3 GLU 41 HG3 GLU 41 -4.698 -1.717 -5.739 302 H ALA 42 H ALA 42 -4.017 0.434 -9.046 303 HA ALA 42 HA ALA 42 -6.137 -1.388 -9.897 304 HB1 ALA 42 HB1 ALA 42 -6.897 -0.779 -7.634 305 HB2 ALA 42 HB2 ALA 42 -6.710 0.945 -8.031 306 HB3 ALA 42 HB3 ALA 42 -7.936 -0.035 -8.872 307 H GLU 43 H GLU 43 -7.614 -0.325 -11.420 308 HA GLU 43 HA GLU 43 -6.917 2.357 -12.360 309 HB2 GLU 43 HB2 GLU 43 -5.211 1.023 -13.497 310 HB3 GLU 43 HB3 GLU 43 -6.431 -0.144 -14.024 311 HG2 GLU 43 HG2 GLU 43 -5.860 1.279 -15.886 312 HG3 GLU 43 HG3 GLU 43 -7.524 1.604 -15.414 313 H LEU 44 H LEU 44 -8.864 -0.594 -12.504 314 HA LEU 44 HA LEU 44 -10.930 0.711 -14.133 315 HB2 LEU 44 HB2 LEU 44 -10.934 -2.018 -12.791 316 HB3 LEU 44 HB3 LEU 44 -12.062 -1.447 -14.030 317 HG LEU 44 HG LEU 44 -9.056 -1.824 -14.408 318 HD11 LEU 44 HD11 LEU 44 -11.445 -3.419 -15.424 319 HD12 LEU 44 HD12 LEU 44 -9.740 -3.715 -15.839 320 HD13 LEU 44 HD13 LEU 44 -10.297 -3.942 -14.169 321 HD21 LEU 44 HD21 LEU 44 -9.594 -1.469 -16.817 322 HD22 LEU 44 HD22 LEU 44 -11.273 -1.084 -16.372 323 HD23 LEU 44 HD23 LEU 44 -9.938 -0.027 -15.852 324 H GLU 45 H GLU 45 -10.101 1.521 -11.233 325 HA GLU 45 HA GLU 45 -11.118 2.235 -9.332 326 HB2 GLU 45 HB2 GLU 45 -13.509 2.506 -11.190 327 HB3 GLU 45 HB3 GLU 45 -13.319 3.284 -9.602 328 HG2 GLU 45 HG2 GLU 45 -11.233 4.390 -10.434 329 HG3 GLU 45 HG3 GLU 45 -11.533 3.693 -12.038 330 H LEU 46 H LEU 46 -10.860 -0.451 -9.247 331 HA LEU 46 HA LEU 46 -13.263 -1.935 -8.878 332 HB2 LEU 46 HB2 LEU 46 -10.498 -2.322 -7.653 333 HB3 LEU 46 HB3 LEU 46 -11.804 -3.501 -7.614 334 HG LEU 46 HG LEU 46 -10.382 -4.224 -9.331 335 HD11 LEU 46 HD11 LEU 46 -12.797 -4.208 -9.941 336 HD12 LEU 46 HD12 LEU 46 -12.555 -2.640 -10.755 337 HD13 LEU 46 HD13 LEU 46 -11.721 -4.084 -11.358 338 HD21 LEU 46 HD21 LEU 46 -9.113 -2.078 -9.563 339 HD22 LEU 46 HD22 LEU 46 -9.466 -2.891 -11.099 340 HD23 LEU 46 HD23 LEU 46 -10.419 -1.471 -10.617 341 H VAL 47 H VAL 47 -14.251 -2.685 -6.932 342 HA VAL 47 HA VAL 47 -14.695 -0.598 -5.020 343 HB VAL 47 HB VAL 47 -15.452 -3.543 -4.947 344 HG11 VAL 47 HG11 VAL 47 -15.635 -2.450 -2.725 345 HG12 VAL 47 HG12 VAL 47 -16.616 -1.151 -3.455 346 HG13 VAL 47 HG13 VAL 47 -17.233 -2.816 -3.407 347 HG21 VAL 47 HG21 VAL 47 -16.303 -2.389 -6.960 348 HG22 VAL 47 HG22 VAL 47 -17.627 -2.736 -5.825 349 HG23 VAL 47 HG23 VAL 47 -16.970 -1.089 -5.942 350 HA PRO 48 HA PRO 48 -11.230 -1.509 -2.395 351 HB2 PRO 48 HB2 PRO 48 -11.974 -0.078 -0.165 352 HB3 PRO 48 HB3 PRO 48 -11.335 0.675 -1.665 353 HG2 PRO 48 HG2 PRO 48 -14.214 0.377 -0.778 354 HG3 PRO 48 HG3 PRO 48 -13.411 1.803 -1.514 355 HD2 PRO 48 HD2 PRO 48 -14.945 0.059 -2.959 356 HD3 PRO 48 HD3 PRO 48 -13.519 0.878 -3.661 357 H ARG 49 H ARG 49 -10.701 -2.819 -0.597 358 HA ARG 49 HA ARG 49 -12.682 -4.817 0.066 359 HB2 ARG 49 HB2 ARG 49 -9.786 -4.319 0.795 360 HB3 ARG 49 HB3 ARG 49 -10.740 -5.548 1.642 361 HG2 ARG 49 HG2 ARG 49 -9.503 -6.565 -0.207 362 HG3 ARG 49 HG3 ARG 49 -11.248 -6.684 -0.478 363 HD2 ARG 49 HD2 ARG 49 -11.187 -4.849 -2.072 364 HD3 ARG 49 HD3 ARG 49 -9.482 -4.524 -1.691 365 HE ARG 49 HE ARG 49 -9.089 -6.917 -2.555 366 HH11 ARG 49 HH11 ARG 49 -11.628 -4.778 -3.809 367 HH12 ARG 49 HH12 ARG 49 -11.675 -5.568 -5.363 368 HH21 ARG 49 HH21 ARG 49 -9.164 -7.900 -4.599 369 HH22 ARG 49 HH22 ARG 49 -10.280 -7.320 -5.814 Start of MODEL 17 1 H1 MET 1 H1 MET 1 3.288 -0.634 -0.425 2 H2 MET 1 H2 MET 1 3.104 -2.261 -0.591 3 H3 MET 1 H3 MET 1 1.974 -1.239 -1.216 4 HA MET 1 HA MET 1 3.386 -2.155 -2.925 5 HB2 MET 1 HB2 MET 1 2.356 -0.039 -3.369 6 HB3 MET 1 HB3 MET 1 3.557 0.830 -2.393 7 HG2 MET 1 HG2 MET 1 5.291 0.417 -3.967 8 HG3 MET 1 HG3 MET 1 4.342 -0.821 -4.803 9 HE1 MET 1 HE1 MET 1 3.118 2.761 -3.592 10 HE2 MET 1 HE2 MET 1 4.818 2.973 -4.066 11 HE3 MET 1 HE3 MET 1 3.520 3.727 -5.027 12 H ILE 2 H ILE 2 5.501 -2.203 -3.933 13 HA ILE 2 HA ILE 2 7.725 -1.575 -2.061 14 HB ILE 2 HB ILE 2 6.970 -4.078 -2.322 15 HG12 ILE 2 HG12 ILE 2 9.911 -3.459 -2.726 16 HG13 ILE 2 HG13 ILE 2 9.047 -3.045 -1.225 17 HG21 ILE 2 HG21 ILE 2 8.783 -3.776 -4.754 18 HG22 ILE 2 HG22 ILE 2 8.072 -5.281 -4.135 19 HG23 ILE 2 HG23 ILE 2 7.017 -4.032 -4.837 20 HD11 ILE 2 HD11 ILE 2 10.147 -5.206 -0.978 21 HD12 ILE 2 HD12 ILE 2 8.385 -5.389 -0.919 22 HD13 ILE 2 HD13 ILE 2 9.276 -5.845 -2.393 23 H LEU 3 H LEU 3 9.705 -0.996 -3.065 24 HA LEU 3 HA LEU 3 9.530 -0.298 -5.960 25 HB2 LEU 3 HB2 LEU 3 10.410 1.503 -3.668 26 HB3 LEU 3 HB3 LEU 3 10.605 1.881 -5.385 27 HG LEU 3 HG LEU 3 7.898 1.331 -4.088 28 HD11 LEU 3 HD11 LEU 3 8.970 3.314 -3.087 29 HD12 LEU 3 HD12 LEU 3 9.246 3.978 -4.718 30 HD13 LEU 3 HD13 LEU 3 7.586 3.763 -4.112 31 HD21 LEU 3 HD21 LEU 3 8.716 2.626 -6.723 32 HD22 LEU 3 HD22 LEU 3 7.991 1.009 -6.553 33 HD23 LEU 3 HD23 LEU 3 7.050 2.456 -6.126 34 H THR 4 H THR 4 11.542 -0.209 -7.043 35 HA THR 4 HA THR 4 13.755 -1.449 -5.510 36 HB THR 4 HB THR 4 13.431 -1.891 -8.451 37 HG1 THR 4 HG1 THR 4 12.273 -3.748 -7.933 38 HG21 THR 4 HG21 THR 4 15.565 -2.498 -7.350 39 HG22 THR 4 HG22 THR 4 14.672 -3.515 -6.194 40 HG23 THR 4 HG23 THR 4 14.691 -3.937 -7.921 41 H CYS 5 H CYS 5 15.749 -0.618 -5.543 42 HA CYS 5 HA CYS 5 16.102 2.002 -6.754 43 HB2 CYS 5 HB2 CYS 5 17.017 1.431 -4.534 44 HB3 CYS 5 HB3 CYS 5 18.019 0.163 -5.269 45 HA PRO 6 HA PRO 6 17.877 0.321 -10.504 46 HB2 PRO 6 HB2 PRO 6 18.838 2.634 -11.603 47 HB3 PRO 6 HB3 PRO 6 17.085 2.251 -11.528 48 HG2 PRO 6 HG2 PRO 6 18.698 4.016 -9.694 49 HG3 PRO 6 HG3 PRO 6 17.087 4.336 -10.410 50 HD2 PRO 6 HD2 PRO 6 17.419 3.385 -7.848 51 HD3 PRO 6 HD3 PRO 6 16.011 2.948 -8.864 52 H GLU 7 H GLU 7 19.589 1.974 -7.945 53 HA GLU 7 HA GLU 7 22.222 1.300 -9.156 54 HB2 GLU 7 HB2 GLU 7 21.507 2.991 -6.733 55 HB3 GLU 7 HB3 GLU 7 23.135 2.769 -7.397 56 HG2 GLU 7 HG2 GLU 7 20.779 4.004 -8.881 57 HG3 GLU 7 HG3 GLU 7 22.070 4.916 -8.099 58 H CYS 8 H CYS 8 20.257 0.780 -6.183 59 HA CYS 8 HA CYS 8 22.303 -1.037 -5.107 60 HB2 CYS 8 HB2 CYS 8 19.516 -0.348 -4.075 61 HB3 CYS 8 HB3 CYS 8 20.758 -1.283 -3.218 62 H ALA 9 H ALA 9 19.509 -1.218 -7.146 63 HA ALA 9 HA ALA 9 18.297 -2.931 -8.009 64 HB1 ALA 9 HB1 ALA 9 20.849 -4.514 -7.528 65 HB2 ALA 9 HB2 ALA 9 19.532 -4.942 -8.645 66 HB3 ALA 9 HB3 ALA 9 20.509 -3.489 -8.942 67 H SER 10 H SER 10 17.872 -2.404 -5.272 68 HA SER 10 HA SER 10 17.130 -5.107 -4.272 69 HB2 SER 10 HB2 SER 10 19.178 -4.258 -3.143 70 HB3 SER 10 HB3 SER 10 18.270 -2.825 -2.621 71 HG SER 10 HG SER 10 18.296 -4.494 -1.038 72 H ARG 11 H ARG 11 15.227 -5.191 -3.018 73 HA ARG 11 HA ARG 11 13.300 -3.118 -3.788 74 HB2 ARG 11 HB2 ARG 11 12.977 -5.779 -2.370 75 HB3 ARG 11 HB3 ARG 11 11.650 -4.719 -2.876 76 HG2 ARG 11 HG2 ARG 11 12.504 -4.870 -5.243 77 HG3 ARG 11 HG3 ARG 11 13.701 -6.064 -4.686 78 HD2 ARG 11 HD2 ARG 11 11.845 -7.497 -3.853 79 HD3 ARG 11 HD3 ARG 11 10.673 -6.298 -4.428 80 HE ARG 11 HE ARG 11 12.222 -8.210 -6.041 81 HH11 ARG 11 HH11 ARG 11 10.252 -5.273 -6.043 82 HH12 ARG 11 HH12 ARG 11 9.797 -5.436 -7.722 83 HH21 ARG 11 HH21 ARG 11 11.628 -8.386 -8.243 84 HH22 ARG 11 HH22 ARG 11 10.582 -7.187 -8.962 85 H TYR 12 H TYR 12 11.871 -2.085 -2.356 86 HA TYR 12 HA TYR 12 12.328 -2.280 0.511 87 HB2 TYR 12 HB2 TYR 12 13.962 -0.665 0.196 88 HB3 TYR 12 HB3 TYR 12 13.041 0.172 -1.054 89 HD1 TYR 12 HD2 TYR 12 11.226 1.703 -0.499 90 HD2 TYR 12 HD1 TYR 12 13.501 -0.274 2.568 91 HE1 TYR 12 HE2 TYR 12 10.340 3.301 1.184 92 HE2 TYR 12 HE1 TYR 12 12.616 1.312 4.258 93 HH TYR 12 HH TYR 12 10.324 3.924 3.392 94 H PHE 13 H PHE 13 10.519 -2.052 1.687 95 HA PHE 13 HA PHE 13 8.127 -1.566 0.064 96 HB2 PHE 13 HB2 PHE 13 6.976 -2.696 2.061 97 HB3 PHE 13 HB3 PHE 13 7.951 -3.649 0.941 98 HD1 PHE 13 HD1 PHE 13 7.877 -2.162 4.338 99 HD2 PHE 13 HD2 PHE 13 9.963 -4.757 1.614 100 HE1 PHE 13 HE1 PHE 13 9.257 -3.020 6.213 101 HE2 PHE 13 HE2 PHE 13 11.346 -5.614 3.494 102 HZ PHE 13 HZ PHE 13 10.998 -4.743 5.789 103 H VAL 14 H VAL 14 6.328 -0.407 0.637 104 HA VAL 14 HA VAL 14 6.415 1.331 2.963 105 HB VAL 14 HB VAL 14 7.862 2.471 1.235 106 HG11 VAL 14 HG11 VAL 14 5.213 2.823 -0.238 107 HG12 VAL 14 HG12 VAL 14 6.776 3.534 -0.679 108 HG13 VAL 14 HG13 VAL 14 6.547 1.772 -0.774 109 HG21 VAL 14 HG21 VAL 14 6.659 3.652 3.070 110 HG22 VAL 14 HG22 VAL 14 6.919 4.650 1.626 111 HG23 VAL 14 HG23 VAL 14 5.311 3.962 1.946 112 H ASP 15 H ASP 15 4.405 2.552 3.252 113 HA ASP 15 HA ASP 15 2.103 1.033 2.511 114 HB2 ASP 15 HB2 ASP 15 2.373 3.815 3.702 115 HB3 ASP 15 HB3 ASP 15 0.847 2.934 3.534 116 H ASP 16 H ASP 16 0.281 1.659 1.200 117 HA ASP 16 HA ASP 16 1.102 2.699 -1.343 118 HB2 ASP 16 HB2 ASP 16 -1.626 2.020 -0.204 119 HB3 ASP 16 HB3 ASP 16 -1.345 2.492 -1.884 120 H SER 17 H SER 17 0.190 4.341 1.506 121 HA SER 17 HA SER 17 -1.135 6.588 0.223 122 HB2 SER 17 HB2 SER 17 -0.981 7.597 2.456 123 HB3 SER 17 HB3 SER 17 -1.578 5.921 2.559 124 HG SER 17 HG SER 17 0.062 6.350 4.091 125 H LYS 18 H LYS 18 2.114 5.527 0.393 126 HA LYS 18 HA LYS 18 3.439 8.055 0.674 127 HB2 LYS 18 HB2 LYS 18 4.432 5.860 1.221 128 HB3 LYS 18 HB3 LYS 18 4.289 5.355 -0.464 129 HG2 LYS 18 HG2 LYS 18 6.582 6.029 0.037 130 HG3 LYS 18 HG3 LYS 18 5.865 7.111 -1.163 131 HD2 LYS 18 HD2 LYS 18 7.099 8.418 0.501 132 HD3 LYS 18 HD3 LYS 18 5.359 8.765 0.628 133 HE2 LYS 18 HE2 LYS 18 5.183 7.190 2.528 134 HE3 LYS 18 HE3 LYS 18 6.915 6.822 2.383 135 HZ1 LYS 18 HZ1 LYS 18 6.504 8.451 4.078 136 HZ2 LYS 18 HZ2 LYS 18 7.388 9.114 2.864 137 HZ3 LYS 18 HZ3 LYS 18 5.791 9.471 3.003 138 H VAL 19 H VAL 19 1.728 6.536 -1.934 139 HA VAL 19 HA VAL 19 2.833 8.511 -3.843 140 HB VAL 19 HB VAL 19 2.586 5.535 -4.432 141 HG11 VAL 19 HG11 VAL 19 3.709 7.861 -6.058 142 HG12 VAL 19 HG12 VAL 19 3.790 6.148 -6.514 143 HG13 VAL 19 HG13 VAL 19 2.211 6.960 -6.404 144 HG21 VAL 19 HG21 VAL 19 4.498 5.896 -2.952 145 HG22 VAL 19 HG22 VAL 19 5.077 5.597 -4.603 146 HG23 VAL 19 HG23 VAL 19 5.061 7.251 -3.962 147 H GLY 20 H GLY 20 1.316 9.400 -5.148 148 HA2 GLY 20 HA2 GLY 20 -1.465 8.411 -4.879 149 HA3 GLY 20 HA3 GLY 20 -0.959 9.985 -5.507 150 HA PRO 21 HA PRO 21 -1.919 7.016 -9.011 151 HB2 PRO 21 HB2 PRO 21 -3.979 8.463 -10.140 152 HB3 PRO 21 HB3 PRO 21 -4.212 7.245 -8.844 153 HG2 PRO 21 HG2 PRO 21 -4.060 10.254 -8.608 154 HG3 PRO 21 HG3 PRO 21 -5.174 9.116 -7.778 155 HD2 PRO 21 HD2 PRO 21 -2.901 10.157 -6.608 156 HD3 PRO 21 HD3 PRO 21 -3.551 8.537 -6.194 157 H ASP 22 H ASP 22 -1.369 10.468 -8.595 158 HA ASP 22 HA ASP 22 -0.533 10.877 -11.371 159 HB2 ASP 22 HB2 ASP 22 -0.505 12.622 -8.889 160 HB3 ASP 22 HB3 ASP 22 0.048 13.154 -10.485 161 H GLY 23 H GLY 23 0.865 9.294 -8.811 162 HA2 GLY 23 HA2 GLY 23 3.034 8.480 -8.649 163 HA3 GLY 23 HA3 GLY 23 3.565 9.611 -9.904 164 H ARG 24 H ARG 24 5.081 9.186 -7.621 165 HA ARG 24 HA ARG 24 5.234 11.895 -6.540 166 HB2 ARG 24 HB2 ARG 24 3.668 10.025 -5.151 167 HB3 ARG 24 HB3 ARG 24 5.227 9.939 -4.328 168 HG2 ARG 24 HG2 ARG 24 3.569 12.450 -4.844 169 HG3 ARG 24 HG3 ARG 24 3.735 11.617 -3.293 170 HD2 ARG 24 HD2 ARG 24 5.982 12.985 -4.835 171 HD3 ARG 24 HD3 ARG 24 5.171 13.621 -3.400 172 HE ARG 24 HE ARG 24 7.136 11.418 -3.509 173 HH11 ARG 24 HH11 ARG 24 4.808 13.240 -1.570 174 HH12 ARG 24 HH12 ARG 24 5.518 12.742 -0.050 175 HH21 ARG 24 HH21 ARG 24 8.016 10.772 -1.549 176 HH22 ARG 24 HH22 ARG 24 7.346 11.347 -0.035 177 H VAL 25 H VAL 25 7.353 12.348 -5.868 178 HA VAL 25 HA VAL 25 9.379 10.484 -6.714 179 HB VAL 25 HB VAL 25 9.548 12.948 -6.900 180 HG11 VAL 25 HG11 VAL 25 9.983 12.822 -3.888 181 HG12 VAL 25 HG12 VAL 25 10.149 14.269 -4.910 182 HG13 VAL 25 HG13 VAL 25 8.555 13.514 -4.695 183 HG21 VAL 25 HG21 VAL 25 11.569 11.500 -6.955 184 HG22 VAL 25 HG22 VAL 25 11.902 13.109 -6.280 185 HG23 VAL 25 HG23 VAL 25 11.749 11.715 -5.191 186 H VAL 26 H VAL 26 10.983 9.441 -5.507 187 HA VAL 26 HA VAL 26 10.568 9.236 -2.578 188 HB VAL 26 HB VAL 26 10.716 6.846 -2.611 189 HG11 VAL 26 HG11 VAL 26 8.464 7.836 -3.007 190 HG12 VAL 26 HG12 VAL 26 8.725 7.696 -4.763 191 HG13 VAL 26 HG13 VAL 26 8.645 6.234 -3.755 192 HG21 VAL 26 HG21 VAL 26 10.976 7.060 -5.642 193 HG22 VAL 26 HG22 VAL 26 12.270 6.589 -4.519 194 HG23 VAL 26 HG23 VAL 26 10.842 5.550 -4.707 195 H ARG 27 H ARG 27 12.521 7.894 -1.621 196 HA ARG 27 HA ARG 27 15.003 8.501 -3.116 197 HB2 ARG 27 HB2 ARG 27 16.005 9.555 -1.159 198 HB3 ARG 27 HB3 ARG 27 14.570 10.456 -1.688 199 HG2 ARG 27 HG2 ARG 27 13.221 9.359 0.084 200 HG3 ARG 27 HG3 ARG 27 14.661 8.457 0.611 201 HD2 ARG 27 HD2 ARG 27 15.822 10.609 1.054 202 HD3 ARG 27 HD3 ARG 27 14.368 11.485 0.561 203 HE ARG 27 HE ARG 27 13.293 10.860 2.560 204 HH11 ARG 27 HH21 ARG 27 16.481 9.343 2.291 205 HH12 ARG 27 HH22 ARG 27 16.508 8.842 3.966 206 HH21 ARG 27 HH11 ARG 27 13.365 10.187 4.745 207 HH22 ARG 27 HH12 ARG 27 14.764 9.336 5.353 208 H CYS 28 H CYS 28 16.771 7.257 -2.563 209 HA CYS 28 HA CYS 28 16.101 4.639 -1.458 210 HB2 CYS 28 HB2 CYS 28 17.440 5.008 -3.547 211 HB3 CYS 28 HB3 CYS 28 18.724 5.729 -2.558 212 H ALA 29 H ALA 29 16.746 3.813 0.478 213 HA ALA 29 HA ALA 29 17.963 5.615 2.431 214 HB1 ALA 29 HB1 ALA 29 17.142 2.689 2.603 215 HB2 ALA 29 HB2 ALA 29 17.595 3.720 3.971 216 HB3 ALA 29 HB3 ALA 29 16.124 4.085 3.037 217 H SER 30 H SER 30 19.185 3.560 0.000 218 HA SER 30 HA SER 30 21.530 2.772 1.657 219 HB2 SER 30 HB2 SER 30 20.251 1.528 -0.795 220 HB3 SER 30 HB3 SER 30 21.819 1.020 -0.132 221 HG SER 30 HG SER 30 19.328 1.044 1.236 222 H CYS 31 H CYS 31 20.622 4.760 -1.088 223 HA CYS 31 HA CYS 31 23.473 5.452 -1.299 224 HB2 CYS 31 HB2 CYS 31 23.630 5.163 -3.666 225 HB3 CYS 31 HB3 CYS 31 23.065 3.633 -2.958 226 H GLY 32 H GLY 32 20.248 6.449 -1.142 227 HA2 GLY 32 HA2 GLY 32 19.507 8.617 -0.897 228 HA3 GLY 32 HA3 GLY 32 21.118 9.205 -1.346 229 H ASN 33 H ASN 33 20.165 7.018 -3.719 230 HA ASN 33 HA ASN 33 19.774 8.989 -5.731 231 HB2 ASN 33 HB2 ASN 33 20.558 6.603 -6.007 232 HB3 ASN 33 HB3 ASN 33 18.891 6.076 -5.716 233 HD21 ASN 33 HD22 ASN 33 18.735 5.135 -7.808 234 HD22 ASN 33 HD21 ASN 33 18.595 6.125 -9.247 235 H ARG 34 H ARG 34 17.808 9.498 -6.933 236 HA ARG 34 HA ARG 34 15.278 8.920 -5.478 237 HB2 ARG 34 HB2 ARG 34 16.108 11.680 -6.447 238 HB3 ARG 34 HB3 ARG 34 14.582 11.237 -5.657 239 HG2 ARG 34 HG2 ARG 34 15.955 10.477 -3.647 240 HG3 ARG 34 HG3 ARG 34 17.377 11.172 -4.448 241 HD2 ARG 34 HD2 ARG 34 16.514 12.815 -2.921 242 HD3 ARG 34 HD3 ARG 34 16.148 13.374 -4.564 243 HE ARG 34 HE ARG 34 13.849 12.190 -4.076 244 HH11 ARG 34 HH11 ARG 34 15.796 14.082 -1.813 245 HH12 ARG 34 HH12 ARG 34 14.420 14.555 -0.839 246 HH21 ARG 34 HH21 ARG 34 12.068 12.832 -2.796 247 HH22 ARG 34 HH22 ARG 34 12.317 13.860 -1.401 248 H TRP 35 H TRP 35 13.403 8.969 -6.728 249 HA TRP 35 HA TRP 35 13.449 9.667 -9.544 250 HB2 TRP 35 HB2 TRP 35 12.967 7.427 -10.389 251 HB3 TRP 35 HB3 TRP 35 14.560 7.474 -9.645 252 HD1 TRP 35 HD1 TRP 35 11.113 5.952 -9.259 253 HE1 TRP 35 HE1 TRP 35 11.133 4.095 -7.517 254 HE3 TRP 35 HE3 TRP 35 15.834 6.649 -7.407 255 HZ2 TRP 35 HZ2 TRP 35 12.940 3.076 -5.507 256 HZ3 TRP 35 HZ3 TRP 35 16.665 5.225 -5.563 257 HH2 TRP 35 HH2 TRP 35 15.236 3.439 -4.606 258 H THR 36 H THR 36 11.270 9.379 -10.512 259 HA THR 36 HA THR 36 9.200 9.770 -8.520 260 HB THR 36 HB THR 36 8.667 9.525 -11.459 261 HG1 THR 36 HG1 THR 36 9.240 11.711 -11.596 262 HG21 THR 36 HG21 THR 36 7.530 11.238 -9.206 263 HG22 THR 36 HG22 THR 36 6.973 11.241 -10.893 264 HG23 THR 36 HG23 THR 36 6.767 9.784 -9.893 265 H ALA 37 H ALA 37 7.967 8.295 -7.589 266 HA ALA 37 HA ALA 37 7.835 5.579 -8.744 267 HB1 ALA 37 HB1 ALA 37 6.915 6.703 -6.065 268 HB2 ALA 37 HB2 ALA 37 6.908 4.987 -6.535 269 HB3 ALA 37 HB3 ALA 37 8.451 5.848 -6.362 270 H PHE 38 H PHE 38 5.763 4.476 -8.856 271 HA PHE 38 HA PHE 38 3.340 6.082 -8.717 272 HB2 PHE 38 HB2 PHE 38 2.679 5.377 -11.078 273 HB3 PHE 38 HB3 PHE 38 3.791 6.736 -10.876 274 HD1 PHE 38 HD2 PHE 38 3.534 3.203 -11.942 275 HD2 PHE 38 HD1 PHE 38 6.082 6.650 -11.598 276 HE1 PHE 38 HE2 PHE 38 5.206 2.119 -13.426 277 HE2 PHE 38 HE1 PHE 38 7.746 5.568 -13.082 278 HZ PHE 38 HZ PHE 38 7.317 3.297 -13.988 279 H LYS 39 H LYS 39 1.396 4.924 -8.643 280 HA LYS 39 HA LYS 39 1.722 2.278 -7.524 281 HB2 LYS 39 HB2 LYS 39 0.000 3.996 -6.818 282 HB3 LYS 39 HB3 LYS 39 -0.825 3.729 -8.365 283 HG2 LYS 39 HG2 LYS 39 -1.929 2.364 -6.726 284 HG3 LYS 39 HG3 LYS 39 -0.987 1.269 -7.754 285 HD2 LYS 39 HD2 LYS 39 0.839 1.254 -6.050 286 HD3 LYS 39 HD3 LYS 39 -0.109 2.354 -5.034 287 HE2 LYS 39 HE2 LYS 39 -0.947 -0.434 -5.910 288 HE3 LYS 39 HE3 LYS 39 -0.280 -0.016 -4.322 289 HZ1 LYS 39 HZ1 LYS 39 -2.648 -0.104 -4.223 290 HZ2 LYS 39 HZ2 LYS 39 -2.161 1.452 -3.998 291 HZ3 LYS 39 HZ3 LYS 39 -2.803 0.990 -5.442 292 H ASP 40 H ASP 40 1.185 0.285 -8.367 293 HA ASP 40 HA ASP 40 0.023 0.081 -11.053 294 HB2 ASP 40 HB2 ASP 40 2.451 0.633 -11.394 295 HB3 ASP 40 HB3 ASP 40 2.875 -0.842 -10.510 296 H GLU 41 H GLU 41 0.886 -1.139 -7.942 297 HA GLU 41 HA GLU 41 0.651 -3.958 -8.457 298 HB2 GLU 41 HB2 GLU 41 0.312 -2.274 -5.944 299 HB3 GLU 41 HB3 GLU 41 0.288 -4.050 -5.964 300 HG2 GLU 41 HG2 GLU 41 2.566 -4.036 -6.999 301 HG3 GLU 41 HG3 GLU 41 2.591 -2.270 -6.870 302 H ALA 42 H ALA 42 -1.691 -1.409 -8.307 303 HA ALA 42 HA ALA 42 -3.882 -3.295 -8.598 304 HB1 ALA 42 HB1 ALA 42 -3.727 -1.528 -6.122 305 HB2 ALA 42 HB2 ALA 42 -5.098 -2.563 -6.588 306 HB3 ALA 42 HB3 ALA 42 -3.537 -3.292 -6.133 307 H GLU 43 H GLU 43 -5.994 -2.073 -8.828 308 HA GLU 43 HA GLU 43 -5.756 0.774 -9.472 309 HB2 GLU 43 HB2 GLU 43 -4.942 -0.400 -11.511 310 HB3 GLU 43 HB3 GLU 43 -6.483 -1.277 -11.608 311 HG2 GLU 43 HG2 GLU 43 -7.704 0.815 -11.900 312 HG3 GLU 43 HG3 GLU 43 -6.216 1.752 -11.658 313 H LEU 44 H LEU 44 -7.879 1.754 -9.847 314 HA LEU 44 HA LEU 44 -9.827 0.656 -8.034 315 HB2 LEU 44 HB2 LEU 44 -9.714 3.054 -9.890 316 HB3 LEU 44 HB3 LEU 44 -11.204 2.628 -9.031 317 HG LEU 44 HG LEU 44 -9.961 2.712 -6.867 318 HD11 LEU 44 HD11 LEU 44 -7.729 3.811 -8.629 319 HD12 LEU 44 HD12 LEU 44 -7.787 3.971 -6.856 320 HD13 LEU 44 HD13 LEU 44 -7.657 2.364 -7.589 321 HD21 LEU 44 HD21 LEU 44 -11.281 4.619 -7.711 322 HD22 LEU 44 HD22 LEU 44 -9.862 5.178 -6.798 323 HD23 LEU 44 HD23 LEU 44 -9.848 5.234 -8.573 324 H GLU 45 H GLU 45 -9.141 -0.207 -11.210 325 HA GLU 45 HA GLU 45 -11.897 -0.615 -12.092 326 HB2 GLU 45 HB2 GLU 45 -9.215 -1.500 -13.232 327 HB3 GLU 45 HB3 GLU 45 -10.775 -1.724 -14.037 328 HG2 GLU 45 HG2 GLU 45 -9.613 0.976 -13.216 329 HG3 GLU 45 HG3 GLU 45 -9.530 0.287 -14.844 330 H LEU 46 H LEU 46 -10.255 -2.093 -9.695 331 HA LEU 46 HA LEU 46 -10.413 -4.853 -10.363 332 HB2 LEU 46 HB2 LEU 46 -9.825 -5.270 -8.159 333 HB3 LEU 46 HB3 LEU 46 -9.108 -3.686 -8.463 334 HG LEU 46 HG LEU 46 -11.775 -4.167 -7.044 335 HD11 LEU 46 HD11 LEU 46 -10.525 -3.581 -5.004 336 HD12 LEU 46 HD12 LEU 46 -9.828 -5.021 -5.776 337 HD13 LEU 46 HD13 LEU 46 -9.028 -3.442 -5.959 338 HD21 LEU 46 HD21 LEU 46 -11.670 -1.936 -8.097 339 HD22 LEU 46 HD22 LEU 46 -11.503 -1.795 -6.337 340 HD23 LEU 46 HD23 LEU 46 -10.066 -1.660 -7.372 341 H VAL 47 H VAL 47 -11.838 -6.468 -9.383 342 HA VAL 47 HA VAL 47 -14.576 -5.840 -9.923 343 HB VAL 47 HB VAL 47 -15.023 -8.144 -9.460 344 HG11 VAL 47 HG11 VAL 47 -12.199 -7.943 -10.603 345 HG12 VAL 47 HG12 VAL 47 -13.373 -9.252 -10.867 346 HG13 VAL 47 HG13 VAL 47 -13.697 -7.630 -11.513 347 HG21 VAL 47 HG21 VAL 47 -13.880 -8.377 -7.304 348 HG22 VAL 47 HG22 VAL 47 -13.334 -9.636 -8.432 349 HG23 VAL 47 HG23 VAL 47 -12.296 -8.232 -8.104 350 HA PRO 48 HA PRO 48 -16.034 -4.549 -5.979 351 HB2 PRO 48 HB2 PRO 48 -18.642 -5.440 -6.034 352 HB3 PRO 48 HB3 PRO 48 -18.048 -4.041 -6.989 353 HG2 PRO 48 HG2 PRO 48 -18.472 -6.904 -7.881 354 HG3 PRO 48 HG3 PRO 48 -18.895 -5.390 -8.745 355 HD2 PRO 48 HD2 PRO 48 -16.629 -6.830 -9.305 356 HD3 PRO 48 HD3 PRO 48 -16.684 -5.047 -9.435 357 H ARG 49 H ARG 49 -16.865 -5.353 -3.896 358 HA ARG 49 HA ARG 49 -16.973 -8.257 -3.496 359 HB2 ARG 49 HB2 ARG 49 -14.557 -7.821 -3.464 360 HB3 ARG 49 HB3 ARG 49 -14.790 -6.526 -2.270 361 HG2 ARG 49 HG2 ARG 49 -15.678 -8.164 -0.647 362 HG3 ARG 49 HG3 ARG 49 -15.508 -9.460 -1.848 363 HD2 ARG 49 HD2 ARG 49 -13.067 -9.080 -1.931 364 HD3 ARG 49 HD3 ARG 49 -13.223 -7.761 -0.759 365 HE ARG 49 HE ARG 49 -13.477 -10.668 -0.230 366 HH11 ARG 49 HH11 ARG 49 -13.646 -7.352 0.994 367 HH12 ARG 49 HH12 ARG 49 -13.538 -7.840 2.668 368 HH21 ARG 49 HH21 ARG 49 -13.338 -11.272 1.966 369 HH22 ARG 49 HH22 ARG 49 -13.372 -10.050 3.219 Start of MODEL 18 1 H1 MET 1 H1 MET 1 2.535 -0.990 -2.106 2 H2 MET 1 H2 MET 1 2.564 -2.601 -1.769 3 H3 MET 1 H3 MET 1 1.503 -2.012 -2.885 4 HA MET 1 HA MET 1 3.279 -3.123 -3.977 5 HB2 MET 1 HB2 MET 1 3.932 -1.342 -5.505 6 HB3 MET 1 HB3 MET 1 2.228 -1.135 -5.058 7 HG2 MET 1 HG2 MET 1 2.870 0.570 -3.393 8 HG3 MET 1 HG3 MET 1 4.574 0.343 -3.811 9 HE1 MET 1 HE1 MET 1 4.045 3.870 -5.218 10 HE2 MET 1 HE2 MET 1 3.393 3.187 -3.714 11 HE3 MET 1 HE3 MET 1 5.052 2.790 -4.226 12 H ILE 2 H ILE 2 5.631 -2.595 -4.801 13 HA ILE 2 HA ILE 2 7.329 -1.606 -2.595 14 HB ILE 2 HB ILE 2 6.983 -4.155 -2.519 15 HG12 ILE 2 HG12 ILE 2 9.868 -3.294 -2.896 16 HG13 ILE 2 HG13 ILE 2 8.875 -2.721 -1.534 17 HG21 ILE 2 HG21 ILE 2 8.287 -5.507 -4.073 18 HG22 ILE 2 HG22 ILE 2 7.181 -4.485 -5.015 19 HG23 ILE 2 HG23 ILE 2 8.905 -4.054 -4.883 20 HD11 ILE 2 HD11 ILE 2 10.185 -4.709 -0.887 21 HD12 ILE 2 HD12 ILE 2 8.440 -5.041 -0.838 22 HD13 ILE 2 HD13 ILE 2 9.426 -5.644 -2.190 23 H LEU 3 H LEU 3 9.464 -0.965 -3.334 24 HA LEU 3 HA LEU 3 9.531 -0.413 -6.267 25 HB2 LEU 3 HB2 LEU 3 10.276 1.388 -3.930 26 HB3 LEU 3 HB3 LEU 3 10.602 1.772 -5.630 27 HG LEU 3 HG LEU 3 7.796 1.181 -4.583 28 HD11 LEU 3 HD11 LEU 3 9.184 3.861 -4.995 29 HD12 LEU 3 HD12 LEU 3 7.471 3.624 -4.576 30 HD13 LEU 3 HD13 LEU 3 8.739 3.154 -3.423 31 HD21 LEU 3 HD21 LEU 3 8.111 0.938 -7.023 32 HD22 LEU 3 HD22 LEU 3 7.152 2.390 -6.657 33 HD23 LEU 3 HD23 LEU 3 8.870 2.549 -7.091 34 H THR 4 H THR 4 11.573 -0.342 -7.261 35 HA THR 4 HA THR 4 13.735 -1.592 -5.661 36 HB THR 4 HB THR 4 13.560 -1.920 -8.632 37 HG1 THR 4 HG1 THR 4 12.411 -3.820 -8.230 38 HG21 THR 4 HG21 THR 4 14.674 -3.660 -6.390 39 HG22 THR 4 HG22 THR 4 14.825 -3.960 -8.136 40 HG23 THR 4 HG23 THR 4 15.642 -2.564 -7.411 41 H CYS 5 H CYS 5 15.768 -0.796 -5.648 42 HA CYS 5 HA CYS 5 16.072 1.926 -6.573 43 HB2 CYS 5 HB2 CYS 5 17.019 1.145 -4.452 44 HB3 CYS 5 HB3 CYS 5 18.040 -0.019 -5.336 45 HA PRO 6 HA PRO 6 17.799 0.863 -10.575 46 HB2 PRO 6 HB2 PRO 6 18.978 3.598 -10.434 47 HB3 PRO 6 HB3 PRO 6 17.904 2.894 -11.684 48 HG2 PRO 6 HG2 PRO 6 16.995 4.746 -9.884 49 HG3 PRO 6 HG3 PRO 6 15.971 3.386 -10.450 50 HD2 PRO 6 HD2 PRO 6 17.492 3.626 -7.851 51 HD3 PRO 6 HD3 PRO 6 15.851 2.983 -8.170 52 H GLU 7 H GLU 7 19.525 1.867 -7.720 53 HA GLU 7 HA GLU 7 22.143 1.247 -9.021 54 HB2 GLU 7 HB2 GLU 7 21.539 2.910 -6.548 55 HB3 GLU 7 HB3 GLU 7 23.146 2.637 -7.246 56 HG2 GLU 7 HG2 GLU 7 20.810 3.996 -8.664 57 HG3 GLU 7 HG3 GLU 7 22.151 4.838 -7.876 58 H CYS 8 H CYS 8 20.202 0.724 -6.017 59 HA CYS 8 HA CYS 8 22.199 -1.161 -5.011 60 HB2 CYS 8 HB2 CYS 8 19.380 -0.546 -4.018 61 HB3 CYS 8 HB3 CYS 8 20.601 -1.526 -3.187 62 H ALA 9 H ALA 9 19.534 -1.268 -7.183 63 HA ALA 9 HA ALA 9 18.360 -2.936 -8.178 64 HB1 ALA 9 HB1 ALA 9 20.877 -4.549 -7.607 65 HB2 ALA 9 HB2 ALA 9 19.637 -4.919 -8.828 66 HB3 ALA 9 HB3 ALA 9 20.633 -3.457 -8.990 67 H SER 10 H SER 10 18.075 -2.590 -5.255 68 HA SER 10 HA SER 10 17.074 -5.314 -4.554 69 HB2 SER 10 HB2 SER 10 18.401 -3.221 -2.791 70 HB3 SER 10 HB3 SER 10 17.575 -4.678 -2.184 71 HG SER 10 HG SER 10 19.818 -4.580 -3.924 72 H ARG 11 H ARG 11 15.182 -5.332 -3.177 73 HA ARG 11 HA ARG 11 13.342 -3.192 -3.979 74 HB2 ARG 11 HB2 ARG 11 12.930 -5.810 -2.495 75 HB3 ARG 11 HB3 ARG 11 11.635 -4.689 -2.961 76 HG2 ARG 11 HG2 ARG 11 12.383 -4.890 -5.356 77 HG3 ARG 11 HG3 ARG 11 13.527 -6.149 -4.847 78 HD2 ARG 11 HD2 ARG 11 10.504 -6.218 -4.447 79 HD3 ARG 11 HD3 ARG 11 11.378 -7.099 -5.705 80 HE ARG 11 HE ARG 11 11.261 -7.741 -2.834 81 HH11 ARG 11 HH11 ARG 11 12.837 -8.330 -5.941 82 HH12 ARG 11 HH12 ARG 11 13.483 -9.879 -5.457 83 HH21 ARG 11 HH21 ARG 11 12.115 -9.772 -2.224 84 HH22 ARG 11 HH22 ARG 11 13.070 -10.695 -3.360 85 H TYR 12 H TYR 12 11.977 -2.079 -2.574 86 HA TYR 12 HA TYR 12 12.486 -2.124 0.290 87 HB2 TYR 12 HB2 TYR 12 14.250 -0.664 -0.205 88 HB3 TYR 12 HB3 TYR 12 13.312 0.192 -1.430 89 HD1 TYR 12 HD1 TYR 12 13.701 -0.310 2.232 90 HD2 TYR 12 HD2 TYR 12 11.902 2.034 -0.892 91 HE1 TYR 12 HE1 TYR 12 13.047 1.408 3.904 92 HE2 TYR 12 HE2 TYR 12 11.267 3.769 0.767 93 HH TYR 12 HH TYR 12 11.297 4.398 2.965 94 H PHE 13 H PHE 13 10.805 -1.316 1.545 95 HA PHE 13 HA PHE 13 8.388 -0.828 -0.099 96 HB2 PHE 13 HB2 PHE 13 7.165 -1.966 1.828 97 HB3 PHE 13 HB3 PHE 13 8.088 -2.937 0.685 98 HD1 PHE 13 HD2 PHE 13 8.054 -1.593 4.141 99 HD2 PHE 13 HD1 PHE 13 10.053 -4.172 1.336 100 HE1 PHE 13 HE2 PHE 13 9.347 -2.612 5.992 101 HE2 PHE 13 HE1 PHE 13 11.342 -5.192 3.195 102 HZ PHE 13 HZ PHE 13 10.986 -4.410 5.522 103 H VAL 14 H VAL 14 6.692 0.417 0.552 104 HA VAL 14 HA VAL 14 7.010 2.109 2.949 105 HB VAL 14 HB VAL 14 6.560 4.148 1.685 106 HG11 VAL 14 HG11 VAL 14 8.947 3.471 2.021 107 HG12 VAL 14 HG12 VAL 14 8.912 2.664 0.437 108 HG13 VAL 14 HG13 VAL 14 8.705 4.422 0.542 109 HG21 VAL 14 HG21 VAL 14 5.289 3.172 -0.182 110 HG22 VAL 14 HG22 VAL 14 6.635 4.159 -0.787 111 HG23 VAL 14 HG23 VAL 14 6.762 2.381 -0.790 112 H ASP 15 H ASP 15 4.929 3.309 3.398 113 HA ASP 15 HA ASP 15 2.676 1.575 3.093 114 HB2 ASP 15 HB2 ASP 15 3.002 3.115 4.988 115 HB3 ASP 15 HB3 ASP 15 2.857 4.505 3.897 116 H ASP 16 H ASP 16 0.894 1.705 1.696 117 HA ASP 16 HA ASP 16 1.443 2.750 -0.900 118 HB2 ASP 16 HB2 ASP 16 -1.064 1.590 0.350 119 HB3 ASP 16 HB3 ASP 16 -0.952 2.055 -1.350 120 H SER 17 H SER 17 0.366 4.410 1.841 121 HA SER 17 HA SER 17 -1.350 6.302 0.431 122 HB2 SER 17 HB2 SER 17 -1.680 5.724 2.813 123 HB3 SER 17 HB3 SER 17 -0.075 6.372 3.197 124 HG SER 17 HG SER 17 -1.756 7.898 3.555 125 H LYS 18 H LYS 18 2.044 5.827 0.762 126 HA LYS 18 HA LYS 18 2.822 8.624 0.773 127 HB2 LYS 18 HB2 LYS 18 4.411 6.106 0.130 128 HB3 LYS 18 HB3 LYS 18 5.095 7.713 0.428 129 HG2 LYS 18 HG2 LYS 18 3.471 6.091 2.432 130 HG3 LYS 18 HG3 LYS 18 5.234 6.273 2.425 131 HD2 LYS 18 HD2 LYS 18 4.962 8.738 2.679 132 HD3 LYS 18 HD3 LYS 18 3.201 8.514 2.806 133 HE2 LYS 18 HE2 LYS 18 3.514 7.050 4.763 134 HE3 LYS 18 HE3 LYS 18 5.273 7.231 4.632 135 HZ1 LYS 18 HZ1 LYS 18 4.350 8.717 6.265 136 HZ2 LYS 18 HZ2 LYS 18 4.999 9.581 5.024 137 HZ3 LYS 18 HZ3 LYS 18 3.367 9.416 5.147 138 H VAL 19 H VAL 19 1.569 6.588 -1.650 139 HA VAL 19 HA VAL 19 2.545 8.440 -3.740 140 HB VAL 19 HB VAL 19 2.659 5.424 -4.054 141 HG11 VAL 19 HG11 VAL 19 3.591 7.722 -5.821 142 HG12 VAL 19 HG12 VAL 19 3.923 6.000 -6.118 143 HG13 VAL 19 HG13 VAL 19 2.253 6.594 -6.160 144 HG21 VAL 19 HG21 VAL 19 4.429 6.102 -2.513 145 HG22 VAL 19 HG22 VAL 19 5.135 5.743 -4.101 146 HG23 VAL 19 HG23 VAL 19 4.902 7.431 -3.602 147 H GLY 20 H GLY 20 1.153 8.666 -5.533 148 HA2 GLY 20 HA2 GLY 20 -1.483 7.271 -5.300 149 HA3 GLY 20 HA3 GLY 20 -1.354 9.008 -5.615 150 HA PRO 21 HA PRO 21 -1.432 6.626 -9.638 151 HB2 PRO 21 HB2 PRO 21 -3.672 7.835 -10.690 152 HB3 PRO 21 HB3 PRO 21 -3.741 6.382 -9.645 153 HG2 PRO 21 HG2 PRO 21 -4.200 9.270 -8.885 154 HG3 PRO 21 HG3 PRO 21 -5.119 7.817 -8.375 155 HD2 PRO 21 HD2 PRO 21 -3.167 9.012 -6.833 156 HD3 PRO 21 HD3 PRO 21 -3.498 7.256 -6.767 157 H ASP 22 H ASP 22 -1.603 9.994 -8.585 158 HA ASP 22 HA ASP 22 -0.781 11.082 -11.149 159 HB2 ASP 22 HB2 ASP 22 -0.960 12.222 -8.343 160 HB3 ASP 22 HB3 ASP 22 -0.464 13.156 -9.764 161 H GLY 23 H GLY 23 0.810 9.245 -8.845 162 HA2 GLY 23 HA2 GLY 23 3.025 8.612 -8.830 163 HA3 GLY 23 HA3 GLY 23 3.416 9.906 -9.971 164 H ARG 24 H ARG 24 5.011 9.266 -7.750 165 HA ARG 24 HA ARG 24 5.150 11.865 -6.442 166 HB2 ARG 24 HB2 ARG 24 3.482 10.331 -5.101 167 HB3 ARG 24 HB3 ARG 24 4.941 9.424 -4.659 168 HG2 ARG 24 HG2 ARG 24 4.878 10.915 -2.893 169 HG3 ARG 24 HG3 ARG 24 5.840 11.872 -4.029 170 HD2 ARG 24 HD2 ARG 24 2.829 12.053 -3.558 171 HD3 ARG 24 HD3 ARG 24 4.034 13.229 -3.042 172 HE ARG 24 HE ARG 24 3.161 12.696 -5.846 173 HH11 ARG 24 HH11 ARG 24 4.906 14.719 -3.526 174 HH12 ARG 24 HH12 ARG 24 5.114 16.038 -4.654 175 HH21 ARG 24 HH21 ARG 24 3.448 14.423 -7.297 176 HH22 ARG 24 HH22 ARG 24 4.298 15.864 -6.792 177 H VAL 25 H VAL 25 7.271 12.267 -5.690 178 HA VAL 25 HA VAL 25 9.256 10.438 -6.731 179 HB VAL 25 HB VAL 25 9.346 12.973 -6.778 180 HG11 VAL 25 HG11 VAL 25 10.327 12.548 -3.926 181 HG12 VAL 25 HG12 VAL 25 10.304 14.082 -4.822 182 HG13 VAL 25 HG13 VAL 25 8.775 13.297 -4.366 183 HG21 VAL 25 HG21 VAL 25 11.260 11.501 -7.346 184 HG22 VAL 25 HG22 VAL 25 11.774 13.008 -6.567 185 HG23 VAL 25 HG23 VAL 25 11.750 11.496 -5.630 186 H VAL 26 H VAL 26 10.939 9.393 -5.613 187 HA VAL 26 HA VAL 26 10.564 9.045 -2.694 188 HB VAL 26 HB VAL 26 10.668 6.672 -2.808 189 HG11 VAL 26 HG11 VAL 26 8.756 7.587 -5.001 190 HG12 VAL 26 HG12 VAL 26 8.647 6.083 -4.063 191 HG13 VAL 26 HG13 VAL 26 8.426 7.650 -3.252 192 HG21 VAL 26 HG21 VAL 26 12.289 6.429 -4.646 193 HG22 VAL 26 HG22 VAL 26 10.854 5.434 -4.946 194 HG23 VAL 26 HG23 VAL 26 11.053 6.970 -5.814 195 H ARG 27 H ARG 27 12.490 7.872 -1.694 196 HA ARG 27 HA ARG 27 14.982 8.394 -3.203 197 HB2 ARG 27 HB2 ARG 27 14.472 10.433 -1.907 198 HB3 ARG 27 HB3 ARG 27 14.401 9.472 -0.414 199 HG2 ARG 27 HG2 ARG 27 16.756 8.835 -0.671 200 HG3 ARG 27 HG3 ARG 27 16.844 9.693 -2.231 201 HD2 ARG 27 HD2 ARG 27 16.291 11.815 -1.086 202 HD3 ARG 27 HD3 ARG 27 16.248 10.968 0.469 203 HE ARG 27 HE ARG 27 18.661 11.412 -1.241 204 HH11 ARG 27 HH11 ARG 27 17.232 10.546 1.878 205 HH12 ARG 27 HH12 ARG 27 18.763 10.599 2.726 206 HH21 ARG 27 HH21 ARG 27 20.635 11.495 -0.108 207 HH22 ARG 27 HH22 ARG 27 20.673 11.151 1.605 208 H CYS 28 H CYS 28 16.686 7.090 -2.679 209 HA CYS 28 HA CYS 28 15.997 4.555 -1.473 210 HB2 CYS 28 HB2 CYS 28 17.451 4.887 -3.483 211 HB3 CYS 28 HB3 CYS 28 18.690 5.611 -2.433 212 H ALA 29 H ALA 29 16.499 3.770 0.508 213 HA ALA 29 HA ALA 29 17.668 5.556 2.500 214 HB1 ALA 29 HB1 ALA 29 17.173 3.686 4.033 215 HB2 ALA 29 HB2 ALA 29 15.758 4.066 3.025 216 HB3 ALA 29 HB3 ALA 29 16.768 2.647 2.651 217 H SER 30 H SER 30 18.956 3.449 0.140 218 HA SER 30 HA SER 30 21.186 2.614 1.918 219 HB2 SER 30 HB2 SER 30 19.985 1.377 -0.577 220 HB3 SER 30 HB3 SER 30 21.518 0.840 0.153 221 HG SER 30 HG SER 30 19.708 -0.330 0.931 222 H CYS 31 H CYS 31 20.456 4.599 -0.887 223 HA CYS 31 HA CYS 31 23.324 5.232 -0.983 224 HB2 CYS 31 HB2 CYS 31 23.620 4.859 -3.321 225 HB3 CYS 31 HB3 CYS 31 22.961 3.367 -2.618 226 H GLY 32 H GLY 32 20.138 6.291 -0.975 227 HA2 GLY 32 HA2 GLY 32 19.461 8.479 -0.765 228 HA3 GLY 32 HA3 GLY 32 21.095 9.019 -1.188 229 H ASN 33 H ASN 33 20.075 6.827 -3.544 230 HA ASN 33 HA ASN 33 19.886 8.768 -5.606 231 HB2 ASN 33 HB2 ASN 33 20.481 6.331 -5.826 232 HB3 ASN 33 HB3 ASN 33 18.776 5.935 -5.561 233 HD21 ASN 33 HD22 ASN 33 18.744 4.936 -7.671 234 HD22 ASN 33 HD21 ASN 33 18.622 5.920 -9.114 235 H ARG 34 H ARG 34 18.005 9.379 -6.890 236 HA ARG 34 HA ARG 34 15.421 9.245 -5.424 237 HB2 ARG 34 HB2 ARG 34 16.510 11.255 -4.641 238 HB3 ARG 34 HB3 ARG 34 16.920 11.738 -6.295 239 HG2 ARG 34 HG2 ARG 34 14.530 12.029 -6.829 240 HG3 ARG 34 HG3 ARG 34 14.090 11.491 -5.188 241 HD2 ARG 34 HD2 ARG 34 15.355 13.360 -4.215 242 HD3 ARG 34 HD3 ARG 34 15.874 13.880 -5.826 243 HE ARG 34 HE ARG 34 13.153 14.121 -4.655 244 HH11 ARG 34 HH11 ARG 34 15.343 14.686 -7.374 245 HH12 ARG 34 HH12 ARG 34 14.300 15.875 -8.125 246 HH21 ARG 34 HH21 ARG 34 11.812 15.676 -5.656 247 HH22 ARG 34 HH22 ARG 34 12.305 16.435 -7.150 248 H TRP 35 H TRP 35 13.672 9.047 -6.712 249 HA TRP 35 HA TRP 35 13.686 9.887 -9.500 250 HB2 TRP 35 HB2 TRP 35 13.414 7.689 -10.467 251 HB3 TRP 35 HB3 TRP 35 14.938 7.736 -9.597 252 HD1 TRP 35 HD1 TRP 35 11.594 6.008 -9.700 253 HE1 TRP 35 HE1 TRP 35 11.492 4.082 -8.044 254 HE3 TRP 35 HE3 TRP 35 15.932 6.918 -7.149 255 HZ2 TRP 35 HZ2 TRP 35 13.054 3.088 -5.822 256 HZ3 TRP 35 HZ3 TRP 35 16.581 5.473 -5.245 257 HH2 TRP 35 HH2 TRP 35 15.166 3.554 -4.581 258 H THR 36 H THR 36 11.538 9.453 -10.512 259 HA THR 36 HA THR 36 9.445 9.749 -8.536 260 HB THR 36 HB THR 36 8.873 9.520 -11.462 261 HG1 THR 36 HG1 THR 36 9.466 11.707 -11.634 262 HG21 THR 36 HG21 THR 36 7.244 11.302 -10.860 263 HG22 THR 36 HG22 THR 36 7.011 9.833 -9.889 264 HG23 THR 36 HG23 THR 36 7.825 11.249 -9.179 265 H ALA 37 H ALA 37 7.726 8.464 -8.042 266 HA ALA 37 HA ALA 37 7.723 5.727 -9.220 267 HB1 ALA 37 HB1 ALA 37 7.166 6.538 -6.341 268 HB2 ALA 37 HB2 ALA 37 7.112 4.891 -6.996 269 HB3 ALA 37 HB3 ALA 37 8.665 5.765 -6.918 270 H PHE 38 H PHE 38 5.533 4.642 -8.905 271 HA PHE 38 HA PHE 38 3.302 6.470 -8.556 272 HB2 PHE 38 HB2 PHE 38 2.333 5.734 -10.830 273 HB3 PHE 38 HB3 PHE 38 3.523 7.036 -10.744 274 HD1 PHE 38 HD2 PHE 38 3.016 3.488 -11.694 275 HD2 PHE 38 HD1 PHE 38 5.720 6.831 -11.704 276 HE1 PHE 38 HE2 PHE 38 4.478 2.309 -13.320 277 HE2 PHE 38 HE1 PHE 38 7.181 5.653 -13.318 278 HZ PHE 38 HZ PHE 38 6.558 3.395 -14.139 279 H LYS 39 H LYS 39 1.258 5.549 -8.296 280 HA LYS 39 HA LYS 39 1.388 2.945 -7.051 281 HB2 LYS 39 HB2 LYS 39 0.006 4.708 -6.135 282 HB3 LYS 39 HB3 LYS 39 -0.920 4.838 -7.644 283 HG2 LYS 39 HG2 LYS 39 -1.911 2.686 -7.360 284 HG3 LYS 39 HG3 LYS 39 -0.775 2.240 -6.068 285 HD2 LYS 39 HD2 LYS 39 -2.788 4.511 -5.841 286 HD3 LYS 39 HD3 LYS 39 -3.065 2.860 -5.238 287 HE2 LYS 39 HE2 LYS 39 -1.023 3.043 -3.836 288 HE3 LYS 39 HE3 LYS 39 -0.808 4.715 -4.388 289 HZ1 LYS 39 HZ1 LYS 39 -3.118 3.697 -2.879 290 HZ2 LYS 39 HZ2 LYS 39 -1.907 4.650 -2.297 291 HZ3 LYS 39 HZ3 LYS 39 -2.952 5.236 -3.429 292 H ASP 40 H ASP 40 0.170 1.078 -7.592 293 HA ASP 40 HA ASP 40 -0.915 0.882 -10.331 294 HB2 ASP 40 HB2 ASP 40 1.569 0.449 -10.446 295 HB3 ASP 40 HB3 ASP 40 1.337 -0.899 -9.325 296 H GLU 41 H GLU 41 -1.490 0.587 -7.212 297 HA GLU 41 HA GLU 41 -2.277 -2.179 -6.900 298 HB2 GLU 41 HB2 GLU 41 -2.947 0.389 -5.399 299 HB3 GLU 41 HB3 GLU 41 -3.460 -1.214 -4.869 300 HG2 GLU 41 HG2 GLU 41 -0.560 -0.362 -5.295 301 HG3 GLU 41 HG3 GLU 41 -1.380 -0.383 -3.732 302 H ALA 42 H ALA 42 -3.677 0.569 -8.472 303 HA ALA 42 HA ALA 42 -6.129 -0.892 -9.056 304 HB1 ALA 42 HB1 ALA 42 -7.629 0.771 -8.041 305 HB2 ALA 42 HB2 ALA 42 -6.587 0.044 -6.792 306 HB3 ALA 42 HB3 ALA 42 -6.228 1.671 -7.412 307 H GLU 43 H GLU 43 -7.554 0.421 -10.522 308 HA GLU 43 HA GLU 43 -6.335 2.744 -11.813 309 HB2 GLU 43 HB2 GLU 43 -5.125 0.916 -12.907 310 HB3 GLU 43 HB3 GLU 43 -6.640 0.063 -13.222 311 HG2 GLU 43 HG2 GLU 43 -5.875 1.128 -15.256 312 HG3 GLU 43 HG3 GLU 43 -7.364 1.903 -14.731 313 H LEU 44 H LEU 44 -7.810 3.841 -13.227 314 HA LEU 44 HA LEU 44 -10.543 3.650 -12.373 315 HB2 LEU 44 HB2 LEU 44 -9.331 5.156 -14.719 316 HB3 LEU 44 HB3 LEU 44 -10.910 5.472 -13.976 317 HG LEU 44 HG LEU 44 -8.213 5.745 -12.575 318 HD11 LEU 44 HD11 LEU 44 -8.705 8.167 -12.672 319 HD12 LEU 44 HD12 LEU 44 -8.608 7.469 -14.300 320 HD13 LEU 44 HD13 LEU 44 -10.195 7.829 -13.584 321 HD21 LEU 44 HD21 LEU 44 -9.996 5.137 -11.001 322 HD22 LEU 44 HD22 LEU 44 -9.580 6.852 -10.799 323 HD23 LEU 44 HD23 LEU 44 -11.055 6.397 -11.679 324 H GLU 45 H GLU 45 -12.417 3.493 -13.883 325 HA GLU 45 HA GLU 45 -12.022 1.840 -16.268 326 HB2 GLU 45 HB2 GLU 45 -12.039 0.121 -14.561 327 HB3 GLU 45 HB3 GLU 45 -13.418 0.869 -13.749 328 HG2 GLU 45 HG2 GLU 45 -14.185 -1.070 -14.953 329 HG3 GLU 45 HG3 GLU 45 -14.851 0.378 -15.713 330 H LEU 46 H LEU 46 -13.686 2.058 -17.730 331 HA LEU 46 HA LEU 46 -15.305 3.255 -18.797 332 HB2 LEU 46 HB2 LEU 46 -16.738 2.621 -16.187 333 HB3 LEU 46 HB3 LEU 46 -17.544 3.247 -17.636 334 HG LEU 46 HG LEU 46 -15.923 0.664 -17.582 335 HD11 LEU 46 HD11 LEU 46 -18.933 1.102 -17.444 336 HD12 LEU 46 HD12 LEU 46 -18.112 -0.468 -17.568 337 HD13 LEU 46 HD13 LEU 46 -17.901 0.526 -16.111 338 HD21 LEU 46 HD21 LEU 46 -16.118 1.669 -19.829 339 HD22 LEU 46 HD22 LEU 46 -17.151 0.239 -19.711 340 HD23 LEU 46 HD23 LEU 46 -17.869 1.866 -19.599 341 H VAL 47 H VAL 47 -13.455 4.974 -18.047 342 HA VAL 47 HA VAL 47 -14.242 6.942 -16.193 343 HB VAL 47 HB VAL 47 -12.352 8.118 -16.757 344 HG11 VAL 47 HG11 VAL 47 -11.707 5.304 -17.750 345 HG12 VAL 47 HG12 VAL 47 -10.587 6.470 -17.009 346 HG13 VAL 47 HG13 VAL 47 -11.889 5.750 -16.035 347 HG21 VAL 47 HG21 VAL 47 -11.179 8.012 -18.904 348 HG22 VAL 47 HG22 VAL 47 -12.375 6.850 -19.526 349 HG23 VAL 47 HG23 VAL 47 -12.856 8.518 -19.151 350 HA PRO 48 HA PRO 48 -16.143 9.387 -19.913 351 HB2 PRO 48 HB2 PRO 48 -17.863 7.164 -20.939 352 HB3 PRO 48 HB3 PRO 48 -17.060 8.486 -21.845 353 HG2 PRO 48 HG2 PRO 48 -16.110 5.936 -21.921 354 HG3 PRO 48 HG3 PRO 48 -14.990 7.342 -21.855 355 HD2 PRO 48 HD2 PRO 48 -15.908 5.546 -19.605 356 HD3 PRO 48 HD3 PRO 48 -14.257 6.146 -19.967 357 H ARG 49 H ARG 49 -17.152 7.161 -17.531 358 HA ARG 49 HA ARG 49 -19.934 7.649 -17.329 359 HB2 ARG 49 HB2 ARG 49 -18.790 5.807 -16.209 360 HB3 ARG 49 HB3 ARG 49 -17.833 6.954 -15.244 361 HG2 ARG 49 HG2 ARG 49 -19.895 7.778 -14.158 362 HG3 ARG 49 HG3 ARG 49 -20.869 6.672 -15.152 363 HD2 ARG 49 HD2 ARG 49 -20.511 5.686 -12.956 364 HD3 ARG 49 HD3 ARG 49 -19.622 4.748 -14.168 365 HE ARG 49 HE ARG 49 -18.472 6.596 -12.129 366 HH11 ARG 49 HH11 ARG 49 -17.971 4.178 -14.660 367 HH12 ARG 49 HH12 ARG 49 -16.286 3.935 -14.257 368 HH21 ARG 49 HH21 ARG 49 -16.288 6.241 -11.610 369 HH22 ARG 49 HH22 ARG 49 -15.342 5.089 -12.524 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.746 -1.901 -2.547 2 H2 MET 1 H2 MET 1 2.788 -0.806 -1.894 3 H3 MET 1 H3 MET 1 2.858 -2.386 -1.434 4 HA MET 1 HA MET 1 3.494 -3.059 -3.633 5 HB2 MET 1 HB2 MET 1 4.096 -1.360 -5.291 6 HB3 MET 1 HB3 MET 1 2.388 -1.219 -4.845 7 HG2 MET 1 HG2 MET 1 2.941 0.626 -3.302 8 HG3 MET 1 HG3 MET 1 4.653 0.468 -3.716 9 HE1 MET 1 HE1 MET 1 3.854 3.874 -5.325 10 HE2 MET 1 HE2 MET 1 3.248 3.233 -3.779 11 HE3 MET 1 HE3 MET 1 4.937 2.944 -4.270 12 H ILE 2 H ILE 2 5.798 -2.581 -4.574 13 HA ILE 2 HA ILE 2 7.590 -1.434 -2.512 14 HB ILE 2 HB ILE 2 7.234 -3.970 -2.239 15 HG12 ILE 2 HG12 ILE 2 10.108 -3.153 -2.755 16 HG13 ILE 2 HG13 ILE 2 9.146 -2.489 -1.403 17 HG21 ILE 2 HG21 ILE 2 9.078 -4.032 -4.667 18 HG22 ILE 2 HG22 ILE 2 8.504 -5.426 -3.728 19 HG23 ILE 2 HG23 ILE 2 7.358 -4.485 -4.707 20 HD11 ILE 2 HD11 ILE 2 10.465 -4.441 -0.674 21 HD12 ILE 2 HD12 ILE 2 8.716 -4.759 -0.566 22 HD13 ILE 2 HD13 ILE 2 9.668 -5.448 -1.903 23 H LEU 3 H LEU 3 9.698 -0.859 -3.373 24 HA LEU 3 HA LEU 3 9.637 -0.486 -6.334 25 HB2 LEU 3 HB2 LEU 3 10.497 1.457 -4.158 26 HB3 LEU 3 HB3 LEU 3 10.657 1.744 -5.900 27 HG LEU 3 HG LEU 3 7.976 1.179 -4.546 28 HD11 LEU 3 HD11 LEU 3 9.248 3.840 -5.276 29 HD12 LEU 3 HD12 LEU 3 7.598 3.605 -4.646 30 HD13 LEU 3 HD13 LEU 3 9.002 3.230 -3.622 31 HD21 LEU 3 HD21 LEU 3 8.049 0.785 -7.000 32 HD22 LEU 3 HD22 LEU 3 7.097 2.231 -6.615 33 HD23 LEU 3 HD23 LEU 3 8.761 2.400 -7.227 34 H THR 4 H THR 4 11.662 -0.465 -7.400 35 HA THR 4 HA THR 4 13.857 -1.632 -5.776 36 HB THR 4 HB THR 4 13.666 -1.988 -8.746 37 HG1 THR 4 HG1 THR 4 12.551 -3.894 -8.314 38 HG21 THR 4 HG21 THR 4 15.774 -2.584 -7.573 39 HG22 THR 4 HG22 THR 4 14.857 -3.661 -6.490 40 HG23 THR 4 HG23 THR 4 14.957 -4.022 -8.226 41 H CYS 5 H CYS 5 15.860 -0.795 -5.745 42 HA CYS 5 HA CYS 5 16.206 1.889 -6.822 43 HB2 CYS 5 HB2 CYS 5 17.039 1.219 -4.597 44 HB3 CYS 5 HB3 CYS 5 18.101 0.017 -5.353 45 HA PRO 6 HA PRO 6 18.145 0.385 -10.564 46 HB2 PRO 6 HB2 PRO 6 19.074 2.762 -11.553 47 HB3 PRO 6 HB3 PRO 6 17.333 2.329 -11.558 48 HG2 PRO 6 HG2 PRO 6 18.830 4.062 -9.598 49 HG3 PRO 6 HG3 PRO 6 17.237 4.373 -10.369 50 HD2 PRO 6 HD2 PRO 6 17.508 3.338 -7.828 51 HD3 PRO 6 HD3 PRO 6 16.142 2.899 -8.897 52 H GLU 7 H GLU 7 19.704 1.944 -7.868 53 HA GLU 7 HA GLU 7 22.400 1.404 -9.017 54 HB2 GLU 7 HB2 GLU 7 21.572 2.990 -6.551 55 HB3 GLU 7 HB3 GLU 7 23.221 2.819 -7.170 56 HG2 GLU 7 HG2 GLU 7 20.900 4.061 -8.702 57 HG3 GLU 7 HG3 GLU 7 22.135 4.970 -7.824 58 H CYS 8 H CYS 8 20.372 0.751 -6.103 59 HA CYS 8 HA CYS 8 22.410 -1.071 -5.047 60 HB2 CYS 8 HB2 CYS 8 19.558 -0.518 -4.122 61 HB3 CYS 8 HB3 CYS 8 20.779 -1.464 -3.253 62 H ALA 9 H ALA 9 19.719 -1.237 -7.219 63 HA ALA 9 HA ALA 9 18.574 -2.937 -8.189 64 HB1 ALA 9 HB1 ALA 9 21.127 -4.500 -7.651 65 HB2 ALA 9 HB2 ALA 9 19.868 -4.907 -8.840 66 HB3 ALA 9 HB3 ALA 9 20.833 -3.424 -9.043 67 H SER 10 H SER 10 18.059 -2.496 -5.467 68 HA SER 10 HA SER 10 17.235 -5.209 -4.581 69 HB2 SER 10 HB2 SER 10 19.325 -4.497 -3.413 70 HB3 SER 10 HB3 SER 10 18.470 -3.065 -2.814 71 HG SER 10 HG SER 10 18.427 -4.822 -1.320 72 H ARG 11 H ARG 11 15.441 -5.125 -3.005 73 HA ARG 11 HA ARG 11 13.514 -3.126 -3.951 74 HB2 ARG 11 HB2 ARG 11 13.221 -5.583 -2.187 75 HB3 ARG 11 HB3 ARG 11 11.881 -4.546 -2.725 76 HG2 ARG 11 HG2 ARG 11 12.570 -4.986 -5.109 77 HG3 ARG 11 HG3 ARG 11 13.743 -6.176 -4.507 78 HD2 ARG 11 HD2 ARG 11 10.742 -6.224 -3.997 79 HD3 ARG 11 HD3 ARG 11 11.594 -7.221 -5.192 80 HE ARG 11 HE ARG 11 11.575 -7.563 -2.267 81 HH11 ARG 11 HH11 ARG 11 13.040 -8.458 -5.355 82 HH12 ARG 11 HH12 ARG 11 13.720 -9.946 -4.739 83 HH21 ARG 11 HH21 ARG 11 12.479 -9.515 -1.484 84 HH22 ARG 11 HH22 ARG 11 13.400 -10.545 -2.554 85 H TYR 12 H TYR 12 12.179 -1.883 -2.633 86 HA TYR 12 HA TYR 12 12.758 -1.626 0.205 87 HB2 TYR 12 HB2 TYR 12 14.463 -0.175 -0.466 88 HB3 TYR 12 HB3 TYR 12 13.496 0.507 -1.770 89 HD1 TYR 12 HD1 TYR 12 13.956 0.435 1.918 90 HD2 TYR 12 HD2 TYR 12 12.006 2.339 -1.413 91 HE1 TYR 12 HE1 TYR 12 13.257 2.298 3.397 92 HE2 TYR 12 HE2 TYR 12 11.337 4.226 0.053 93 HH TYR 12 HH TYR 12 12.165 4.301 3.543 94 H PHE 13 H PHE 13 11.061 -0.867 1.407 95 HA PHE 13 HA PHE 13 8.612 -0.571 -0.221 96 HB2 PHE 13 HB2 PHE 13 7.464 -1.477 1.888 97 HB3 PHE 13 HB3 PHE 13 8.358 -2.567 0.831 98 HD1 PHE 13 HD1 PHE 13 8.459 -0.782 4.086 99 HD2 PHE 13 HD2 PHE 13 10.326 -3.732 1.573 100 HE1 PHE 13 HE1 PHE 13 9.836 -1.546 6.002 101 HE2 PHE 13 HE2 PHE 13 11.703 -4.491 3.492 102 HZ PHE 13 HZ PHE 13 11.458 -3.402 5.706 103 H VAL 14 H VAL 14 6.881 0.682 0.320 104 HA VAL 14 HA VAL 14 7.240 2.728 2.426 105 HB VAL 14 HB VAL 14 6.633 4.524 0.895 106 HG11 VAL 14 HG11 VAL 14 8.972 2.934 -0.244 107 HG12 VAL 14 HG12 VAL 14 8.695 4.680 -0.403 108 HG13 VAL 14 HG13 VAL 14 9.045 3.983 1.196 109 HG21 VAL 14 HG21 VAL 14 6.779 2.419 -1.303 110 HG22 VAL 14 HG22 VAL 14 5.297 3.218 -0.720 111 HG23 VAL 14 HG23 VAL 14 6.556 4.161 -1.546 112 H ASP 15 H ASP 15 5.165 3.852 2.884 113 HA ASP 15 HA ASP 15 2.975 2.007 2.943 114 HB2 ASP 15 HB2 ASP 15 3.139 4.978 3.534 115 HB3 ASP 15 HB3 ASP 15 1.710 3.975 3.838 116 H ASP 16 H ASP 16 0.940 2.064 1.890 117 HA ASP 16 HA ASP 16 1.119 2.816 -0.878 118 HB2 ASP 16 HB2 ASP 16 -1.171 1.804 0.825 119 HB3 ASP 16 HB3 ASP 16 -1.291 2.096 -0.919 120 H SER 17 H SER 17 0.447 4.707 1.846 121 HA SER 17 HA SER 17 -1.329 6.569 0.409 122 HB2 SER 17 HB2 SER 17 -1.358 7.772 2.552 123 HB3 SER 17 HB3 SER 17 -1.725 6.051 2.789 124 HG SER 17 HG SER 17 0.725 7.397 3.262 125 H LYS 18 H LYS 18 2.034 5.974 0.681 126 HA LYS 18 HA LYS 18 2.953 8.715 0.694 127 HB2 LYS 18 HB2 LYS 18 4.268 6.844 1.590 128 HB3 LYS 18 HB3 LYS 18 4.289 6.073 -0.006 129 HG2 LYS 18 HG2 LYS 18 6.400 7.227 0.488 130 HG3 LYS 18 HG3 LYS 18 5.593 7.922 -0.929 131 HD2 LYS 18 HD2 LYS 18 4.742 9.791 0.451 132 HD3 LYS 18 HD3 LYS 18 5.457 9.056 1.907 133 HE2 LYS 18 HE2 LYS 18 7.699 9.239 0.881 134 HE3 LYS 18 HE3 LYS 18 6.982 9.978 -0.563 135 HZ1 LYS 18 HZ1 LYS 18 6.863 11.095 2.159 136 HZ2 LYS 18 HZ2 LYS 18 7.849 11.625 0.954 137 HZ3 LYS 18 HZ3 LYS 18 6.219 11.789 0.810 138 H VAL 19 H VAL 19 1.611 6.614 -1.700 139 HA VAL 19 HA VAL 19 2.457 8.497 -3.827 140 HB VAL 19 HB VAL 19 2.559 5.483 -4.162 141 HG11 VAL 19 HG11 VAL 19 3.514 7.812 -5.879 142 HG12 VAL 19 HG12 VAL 19 3.836 6.099 -6.216 143 HG13 VAL 19 HG13 VAL 19 2.164 6.707 -6.245 144 HG21 VAL 19 HG21 VAL 19 4.828 7.458 -3.684 145 HG22 VAL 19 HG22 VAL 19 4.335 6.127 -2.610 146 HG23 VAL 19 HG23 VAL 19 5.032 5.771 -4.204 147 H GLY 20 H GLY 20 1.026 8.711 -5.574 148 HA2 GLY 20 HA2 GLY 20 -1.594 7.308 -5.281 149 HA3 GLY 20 HA3 GLY 20 -1.488 9.044 -5.593 150 HA PRO 21 HA PRO 21 -1.635 6.723 -9.648 151 HB2 PRO 21 HB2 PRO 21 -3.812 8.044 -10.687 152 HB3 PRO 21 HB3 PRO 21 -3.941 6.581 -9.660 153 HG2 PRO 21 HG2 PRO 21 -4.281 9.481 -8.855 154 HG3 PRO 21 HG3 PRO 21 -5.259 8.057 -8.365 155 HD2 PRO 21 HD2 PRO 21 -3.264 9.139 -6.800 156 HD3 PRO 21 HD3 PRO 21 -3.673 7.397 -6.777 157 H ASP 22 H ASP 22 -1.672 10.087 -8.568 158 HA ASP 22 HA ASP 22 -0.802 11.175 -11.113 159 HB2 ASP 22 HB2 ASP 22 -0.936 12.281 -8.292 160 HB3 ASP 22 HB3 ASP 22 -0.410 13.218 -9.696 161 H GLY 23 H GLY 23 0.715 9.283 -8.785 162 HA2 GLY 23 HA2 GLY 23 2.902 8.593 -8.679 163 HA3 GLY 23 HA3 GLY 23 3.350 9.804 -9.893 164 H ARG 24 H ARG 24 4.907 9.222 -7.619 165 HA ARG 24 HA ARG 24 5.205 11.899 -6.510 166 HB2 ARG 24 HB2 ARG 24 3.470 10.843 -5.018 167 HB3 ARG 24 HB3 ARG 24 4.627 9.541 -4.672 168 HG2 ARG 24 HG2 ARG 24 4.640 11.190 -2.863 169 HG3 ARG 24 HG3 ARG 24 6.200 11.196 -3.696 170 HD2 ARG 24 HD2 ARG 24 5.529 13.192 -4.978 171 HD3 ARG 24 HD3 ARG 24 3.924 13.152 -4.236 172 HE ARG 24 HE ARG 24 6.462 14.002 -2.984 173 HH11 ARG 24 HH11 ARG 24 3.028 13.255 -2.580 174 HH12 ARG 24 HH12 ARG 24 2.898 14.116 -1.063 175 HH21 ARG 24 HH21 ARG 24 6.260 15.136 -1.010 176 HH22 ARG 24 HH22 ARG 24 4.725 15.185 -0.181 177 H VAL 25 H VAL 25 7.322 12.208 -5.679 178 HA VAL 25 HA VAL 25 9.241 10.277 -6.663 179 HB VAL 25 HB VAL 25 9.491 12.774 -6.787 180 HG11 VAL 25 HG11 VAL 25 10.222 12.462 -3.846 181 HG12 VAL 25 HG12 VAL 25 10.347 13.947 -4.822 182 HG13 VAL 25 HG13 VAL 25 8.750 13.253 -4.457 183 HG21 VAL 25 HG21 VAL 25 11.906 12.734 -6.371 184 HG22 VAL 25 HG22 VAL 25 11.741 11.275 -5.374 185 HG23 VAL 25 HG23 VAL 25 11.391 11.217 -7.125 186 H VAL 26 H VAL 26 10.828 9.145 -5.501 187 HA VAL 26 HA VAL 26 10.393 8.893 -2.576 188 HB VAL 26 HB VAL 26 10.502 6.532 -2.637 189 HG11 VAL 26 HG11 VAL 26 8.702 7.386 -4.950 190 HG12 VAL 26 HG12 VAL 26 8.548 5.907 -3.981 191 HG13 VAL 26 HG13 VAL 26 8.277 7.490 -3.221 192 HG21 VAL 26 HG21 VAL 26 12.219 6.287 -4.408 193 HG22 VAL 26 HG22 VAL 26 10.821 5.239 -4.710 194 HG23 VAL 26 HG23 VAL 26 11.014 6.749 -5.632 195 H ARG 27 H ARG 27 12.303 7.576 -1.576 196 HA ARG 27 HA ARG 27 14.845 8.251 -2.948 197 HB2 ARG 27 HB2 ARG 27 15.749 9.205 -0.886 198 HB3 ARG 27 HB3 ARG 27 14.342 10.126 -1.443 199 HG2 ARG 27 HG2 ARG 27 12.907 8.935 0.198 200 HG3 ARG 27 HG3 ARG 27 14.323 8.016 0.758 201 HD2 ARG 27 HD2 ARG 27 15.453 10.142 1.360 202 HD3 ARG 27 HD3 ARG 27 14.023 11.038 0.816 203 HE ARG 27 HE ARG 27 13.912 9.032 3.042 204 HH11 ARG 27 HH11 ARG 27 13.217 12.263 1.768 205 HH12 ARG 27 HH12 ARG 27 12.287 12.738 3.170 206 HH21 ARG 27 HH21 ARG 27 12.696 9.685 4.856 207 HH22 ARG 27 HH22 ARG 27 12.008 11.290 4.918 208 H CYS 28 H CYS 28 16.611 6.996 -2.373 209 HA CYS 28 HA CYS 28 15.927 4.307 -1.475 210 HB2 CYS 28 HB2 CYS 28 17.387 4.833 -3.435 211 HB3 CYS 28 HB3 CYS 28 18.596 5.505 -2.317 212 H ALA 29 H ALA 29 16.476 3.348 0.437 213 HA ALA 29 HA ALA 29 17.524 5.028 2.582 214 HB1 ALA 29 HB1 ALA 29 16.756 2.083 2.489 215 HB2 ALA 29 HB2 ALA 29 17.115 3.023 3.956 216 HB3 ALA 29 HB3 ALA 29 15.687 3.420 2.965 217 H SER 30 H SER 30 18.946 3.200 0.084 218 HA SER 30 HA SER 30 21.207 2.365 1.827 219 HB2 SER 30 HB2 SER 30 20.080 1.205 -0.730 220 HB3 SER 30 HB3 SER 30 21.643 0.716 -0.033 221 HG SER 30 HG SER 30 19.893 -0.597 0.685 222 H CYS 31 H CYS 31 20.388 4.478 -0.850 223 HA CYS 31 HA CYS 31 23.229 5.243 -0.903 224 HB2 CYS 31 HB2 CYS 31 23.528 5.043 -3.262 225 HB3 CYS 31 HB3 CYS 31 22.947 3.475 -2.652 226 H GLY 32 H GLY 32 19.997 6.165 -0.850 227 HA2 GLY 32 HA2 GLY 32 19.205 8.311 -0.551 228 HA3 GLY 32 HA3 GLY 32 20.815 8.951 -0.916 229 H ASN 33 H ASN 33 19.993 6.831 -3.399 230 HA ASN 33 HA ASN 33 19.663 8.862 -5.360 231 HB2 ASN 33 HB2 ASN 33 20.484 6.493 -5.684 232 HB3 ASN 33 HB3 ASN 33 18.822 5.934 -5.491 233 HD21 ASN 33 HD22 ASN 33 18.768 5.075 -7.636 234 HD22 ASN 33 HD21 ASN 33 18.670 6.125 -9.029 235 H ARG 34 H ARG 34 17.757 9.382 -6.642 236 HA ARG 34 HA ARG 34 15.177 8.780 -5.294 237 HB2 ARG 34 HB2 ARG 34 16.125 11.538 -6.160 238 HB3 ARG 34 HB3 ARG 34 14.515 11.144 -5.534 239 HG2 ARG 34 HG2 ARG 34 15.553 10.351 -3.410 240 HG3 ARG 34 HG3 ARG 34 17.148 10.827 -4.024 241 HD2 ARG 34 HD2 ARG 34 14.775 12.693 -3.627 242 HD3 ARG 34 HD3 ARG 34 16.155 12.547 -2.526 243 HE ARG 34 HE ARG 34 16.058 13.980 -5.060 244 HH11 ARG 34 HH11 ARG 34 18.192 12.301 -2.786 245 HH12 ARG 34 HH12 ARG 34 19.610 13.187 -3.286 246 HH21 ARG 34 HH21 ARG 34 17.940 15.117 -5.698 247 HH22 ARG 34 HH22 ARG 34 19.472 14.764 -4.935 248 H TRP 35 H TRP 35 13.373 8.746 -6.610 249 HA TRP 35 HA TRP 35 13.508 9.525 -9.408 250 HB2 TRP 35 HB2 TRP 35 13.123 7.308 -10.326 251 HB3 TRP 35 HB3 TRP 35 14.671 7.348 -9.485 252 HD1 TRP 35 HD1 TRP 35 11.236 5.767 -9.373 253 HE1 TRP 35 HE1 TRP 35 11.160 3.877 -7.663 254 HE3 TRP 35 HE3 TRP 35 15.809 6.477 -7.184 255 HZ2 TRP 35 HZ2 TRP 35 12.859 2.810 -5.581 256 HZ3 TRP 35 HZ3 TRP 35 16.543 5.001 -5.349 257 HH2 TRP 35 HH2 TRP 35 15.086 3.171 -4.538 258 H THR 36 H THR 36 11.372 9.230 -10.460 259 HA THR 36 HA THR 36 9.253 9.613 -8.540 260 HB THR 36 HB THR 36 8.727 9.305 -11.470 261 HG1 THR 36 HG1 THR 36 9.404 11.452 -11.715 262 HG21 THR 36 HG21 THR 36 7.127 11.119 -10.987 263 HG22 THR 36 HG22 THR 36 6.851 9.719 -9.933 264 HG23 THR 36 HG23 THR 36 7.679 11.155 -9.290 265 H ALA 37 H ALA 37 7.566 8.362 -7.954 266 HA ALA 37 HA ALA 37 7.485 5.598 -9.068 267 HB1 ALA 37 HB1 ALA 37 8.348 5.685 -6.743 268 HB2 ALA 37 HB2 ALA 37 6.867 6.538 -6.238 269 HB3 ALA 37 HB3 ALA 37 6.771 4.867 -6.834 270 H PHE 38 H PHE 38 5.293 4.571 -8.849 271 HA PHE 38 HA PHE 38 3.066 6.416 -8.552 272 HB2 PHE 38 HB2 PHE 38 2.110 5.646 -10.816 273 HB3 PHE 38 HB3 PHE 38 3.322 6.933 -10.754 274 HD1 PHE 38 HD2 PHE 38 2.726 3.406 -11.674 275 HD2 PHE 38 HD1 PHE 38 5.550 6.655 -11.646 276 HE1 PHE 38 HE2 PHE 38 4.180 2.157 -13.243 277 HE2 PHE 38 HE1 PHE 38 7.009 5.396 -13.206 278 HZ PHE 38 HZ PHE 38 6.316 3.157 -14.020 279 H LYS 39 H LYS 39 1.022 5.497 -8.255 280 HA LYS 39 HA LYS 39 1.168 2.947 -6.925 281 HB2 LYS 39 HB2 LYS 39 -0.259 4.722 -6.109 282 HB3 LYS 39 HB3 LYS 39 -1.175 4.762 -7.626 283 HG2 LYS 39 HG2 LYS 39 -2.133 2.614 -7.251 284 HG3 LYS 39 HG3 LYS 39 -0.979 2.234 -5.955 285 HD2 LYS 39 HD2 LYS 39 -3.025 4.482 -5.795 286 HD3 LYS 39 HD3 LYS 39 -3.282 2.848 -5.139 287 HE2 LYS 39 HE2 LYS 39 -1.268 3.077 -3.732 288 HE3 LYS 39 HE3 LYS 39 -1.009 4.717 -4.357 289 HZ1 LYS 39 HZ1 LYS 39 -3.369 3.821 -2.848 290 HZ2 LYS 39 HZ2 LYS 39 -2.133 4.729 -2.255 291 HZ3 LYS 39 HZ3 LYS 39 -3.116 5.343 -3.421 292 H ASP 40 H ASP 40 0.053 1.020 -7.406 293 HA ASP 40 HA ASP 40 -1.018 0.650 -10.123 294 HB2 ASP 40 HB2 ASP 40 1.493 0.378 -10.248 295 HB3 ASP 40 HB3 ASP 40 1.361 -0.945 -9.082 296 H GLU 41 H GLU 41 -1.577 0.436 -7.010 297 HA GLU 41 HA GLU 41 -2.068 -2.358 -6.515 298 HB2 GLU 41 HB2 GLU 41 -3.074 0.211 -5.224 299 HB3 GLU 41 HB3 GLU 41 -3.418 -1.399 -4.587 300 HG2 GLU 41 HG2 GLU 41 -0.613 -0.286 -5.037 301 HG3 GLU 41 HG3 GLU 41 -1.466 -0.257 -3.485 302 H ALA 42 H ALA 42 -3.820 0.117 -8.248 303 HA ALA 42 HA ALA 42 -5.974 -1.759 -8.799 304 HB1 ALA 42 HB1 ALA 42 -6.561 0.840 -7.320 305 HB2 ALA 42 HB2 ALA 42 -7.766 -0.339 -7.907 306 HB3 ALA 42 HB3 ALA 42 -6.644 -0.781 -6.603 307 H GLU 43 H GLU 43 -3.825 -0.022 -10.105 308 HA GLU 43 HA GLU 43 -5.298 1.943 -11.666 309 HB2 GLU 43 HB2 GLU 43 -2.916 2.244 -11.077 310 HB3 GLU 43 HB3 GLU 43 -2.503 0.754 -11.928 311 HG2 GLU 43 HG2 GLU 43 -1.928 2.641 -13.321 312 HG3 GLU 43 HG3 GLU 43 -3.259 1.763 -14.072 313 H LEU 44 H LEU 44 -4.701 -1.476 -11.865 314 HA LEU 44 HA LEU 44 -4.919 -1.763 -14.714 315 HB2 LEU 44 HB2 LEU 44 -3.847 -3.447 -13.292 316 HB3 LEU 44 HB3 LEU 44 -5.356 -3.694 -12.403 317 HG LEU 44 HG LEU 44 -6.439 -4.517 -14.504 318 HD11 LEU 44 HD11 LEU 44 -3.603 -4.293 -15.618 319 HD12 LEU 44 HD12 LEU 44 -4.974 -5.091 -16.424 320 HD13 LEU 44 HD13 LEU 44 -5.003 -3.340 -16.158 321 HD21 LEU 44 HD21 LEU 44 -5.418 -6.082 -12.895 322 HD22 LEU 44 HD22 LEU 44 -5.246 -6.665 -14.566 323 HD23 LEU 44 HD23 LEU 44 -3.855 -5.935 -13.734 324 H GLU 45 H GLU 45 -6.705 -2.419 -15.971 325 HA GLU 45 HA GLU 45 -9.344 -2.636 -14.730 326 HB2 GLU 45 HB2 GLU 45 -9.128 -0.206 -14.953 327 HB3 GLU 45 HB3 GLU 45 -8.586 -0.377 -16.625 328 HG2 GLU 45 HG2 GLU 45 -10.908 0.322 -16.608 329 HG3 GLU 45 HG3 GLU 45 -10.804 -1.320 -17.241 330 H LEU 46 H LEU 46 -10.879 -3.638 -16.123 331 HA LEU 46 HA LEU 46 -9.698 -5.462 -18.001 332 HB2 LEU 46 HB2 LEU 46 -12.527 -4.792 -17.135 333 HB3 LEU 46 HB3 LEU 46 -12.209 -5.913 -18.467 334 HG LEU 46 HG LEU 46 -10.766 -7.284 -16.942 335 HD11 LEU 46 HD11 LEU 46 -11.892 -5.393 -14.827 336 HD12 LEU 46 HD12 LEU 46 -11.121 -6.949 -14.468 337 HD13 LEU 46 HD13 LEU 46 -10.171 -5.656 -15.218 338 HD21 LEU 46 HD21 LEU 46 -13.126 -7.849 -17.391 339 HD22 LEU 46 HD22 LEU 46 -12.676 -8.283 -15.728 340 HD23 LEU 46 HD23 LEU 46 -13.634 -6.818 -16.034 341 H VAL 47 H VAL 47 -10.178 -5.697 -20.245 342 HA VAL 47 HA VAL 47 -10.014 -3.230 -21.687 343 HB VAL 47 HB VAL 47 -9.873 -4.593 -23.667 344 HG11 VAL 47 HG11 VAL 47 -8.072 -6.131 -23.056 345 HG12 VAL 47 HG12 VAL 47 -7.924 -4.626 -22.121 346 HG13 VAL 47 HG13 VAL 47 -8.572 -6.095 -21.352 347 HG21 VAL 47 HG21 VAL 47 -11.775 -6.111 -23.254 348 HG22 VAL 47 HG22 VAL 47 -10.302 -7.033 -23.611 349 HG23 VAL 47 HG23 VAL 47 -10.877 -6.894 -21.936 350 HA PRO 48 HA PRO 48 -14.156 -2.127 -22.579 351 HB2 PRO 48 HB2 PRO 48 -13.470 -2.068 -25.491 352 HB3 PRO 48 HB3 PRO 48 -14.175 -0.779 -24.461 353 HG2 PRO 48 HG2 PRO 48 -11.553 -0.715 -25.237 354 HG3 PRO 48 HG3 PRO 48 -12.060 -0.188 -23.594 355 HD2 PRO 48 HD2 PRO 48 -10.816 -2.799 -24.443 356 HD3 PRO 48 HD3 PRO 48 -10.512 -1.814 -22.974 357 H ARG 49 H ARG 49 -16.160 -2.874 -23.513 358 HA ARG 49 HA ARG 49 -16.156 -5.308 -25.142 359 HB2 ARG 49 HB2 ARG 49 -15.812 -6.223 -22.893 360 HB3 ARG 49 HB3 ARG 49 -17.188 -5.279 -22.277 361 HG2 ARG 49 HG2 ARG 49 -18.727 -6.516 -23.753 362 HG3 ARG 49 HG3 ARG 49 -17.360 -7.410 -24.453 363 HD2 ARG 49 HD2 ARG 49 -16.833 -8.343 -22.217 364 HD3 ARG 49 HD3 ARG 49 -18.193 -7.447 -21.522 365 HE ARG 49 HE ARG 49 -19.713 -8.934 -22.509 366 HH11 ARG 49 HH11 ARG 49 -16.400 -9.649 -23.526 367 HH12 ARG 49 HH12 ARG 49 -16.823 -11.199 -24.216 368 HH21 ARG 49 HH21 ARG 49 -20.236 -10.956 -23.419 369 HH22 ARG 49 HH22 ARG 49 -18.991 -11.937 -24.154 Start of MODEL 20 1 H1 MET 1 H1 MET 1 3.410 -0.840 0.310 2 H2 MET 1 H2 MET 1 3.166 -2.275 -0.466 3 H3 MET 1 H3 MET 1 2.058 -1.077 -0.609 4 HA MET 1 HA MET 1 3.358 -1.235 -2.598 5 HB2 MET 1 HB2 MET 1 2.477 0.974 -1.811 6 HB3 MET 1 HB3 MET 1 4.035 1.259 -1.001 7 HG2 MET 1 HG2 MET 1 4.053 2.392 -3.108 8 HG3 MET 1 HG3 MET 1 5.181 1.032 -3.205 9 HE1 MET 1 HE1 MET 1 3.598 1.660 -6.807 10 HE2 MET 1 HE2 MET 1 3.693 2.904 -5.533 11 HE3 MET 1 HE3 MET 1 5.061 1.797 -5.808 12 H ILE 2 H ILE 2 5.358 -1.504 -3.592 13 HA ILE 2 HA ILE 2 7.762 -1.212 -1.896 14 HB ILE 2 HB ILE 2 6.754 -3.643 -2.030 15 HG12 ILE 2 HG12 ILE 2 9.700 -3.309 -2.652 16 HG13 ILE 2 HG13 ILE 2 8.985 -2.774 -1.114 17 HG21 ILE 2 HG21 ILE 2 8.416 -3.556 -4.589 18 HG22 ILE 2 HG22 ILE 2 7.618 -4.976 -3.890 19 HG23 ILE 2 HG23 ILE 2 6.639 -3.645 -4.548 20 HD11 ILE 2 HD11 ILE 2 9.894 -5.034 -0.883 21 HD12 ILE 2 HD12 ILE 2 8.133 -5.031 -0.674 22 HD13 ILE 2 HD13 ILE 2 8.842 -5.609 -2.204 23 H LEU 3 H LEU 3 9.642 -0.699 -3.048 24 HA LEU 3 HA LEU 3 9.296 -0.177 -5.960 25 HB2 LEU 3 HB2 LEU 3 10.315 1.726 -3.817 26 HB3 LEU 3 HB3 LEU 3 10.462 2.015 -5.556 27 HG LEU 3 HG LEU 3 7.779 1.580 -4.155 28 HD11 LEU 3 HD11 LEU 3 7.508 4.008 -4.323 29 HD12 LEU 3 HD12 LEU 3 8.928 3.615 -3.327 30 HD13 LEU 3 HD13 LEU 3 9.144 4.160 -5.008 31 HD21 LEU 3 HD21 LEU 3 7.740 1.098 -6.568 32 HD22 LEU 3 HD22 LEU 3 6.937 2.654 -6.256 33 HD23 LEU 3 HD23 LEU 3 8.592 2.628 -6.903 34 H THR 4 H THR 4 11.200 -0.247 -7.200 35 HA THR 4 HA THR 4 13.489 -1.502 -5.804 36 HB THR 4 HB THR 4 13.139 -1.508 -8.778 37 HG1 THR 4 HG1 THR 4 12.001 -3.431 -8.510 38 HG21 THR 4 HG21 THR 4 14.408 -3.608 -8.559 39 HG22 THR 4 HG22 THR 4 15.289 -2.267 -7.798 40 HG23 THR 4 HG23 THR 4 14.403 -3.447 -6.792 41 H CYS 5 H CYS 5 15.494 -0.652 -5.745 42 HA CYS 5 HA CYS 5 15.788 2.120 -6.534 43 HB2 CYS 5 HB2 CYS 5 16.780 1.246 -4.477 44 HB3 CYS 5 HB3 CYS 5 17.760 0.100 -5.424 45 HA PRO 6 HA PRO 6 17.445 1.264 -10.623 46 HB2 PRO 6 HB2 PRO 6 18.657 3.972 -10.320 47 HB3 PRO 6 HB3 PRO 6 17.580 3.357 -11.612 48 HG2 PRO 6 HG2 PRO 6 16.677 5.099 -9.708 49 HG3 PRO 6 HG3 PRO 6 15.649 3.761 -10.333 50 HD2 PRO 6 HD2 PRO 6 17.206 3.882 -7.753 51 HD3 PRO 6 HD3 PRO 6 15.559 3.256 -8.066 52 H GLU 7 H GLU 7 19.232 2.050 -7.742 53 HA GLU 7 HA GLU 7 21.815 1.451 -9.121 54 HB2 GLU 7 HB2 GLU 7 21.282 3.027 -6.571 55 HB3 GLU 7 HB3 GLU 7 22.872 2.757 -7.302 56 HG2 GLU 7 HG2 GLU 7 20.548 4.205 -8.645 57 HG3 GLU 7 HG3 GLU 7 21.902 4.999 -7.838 58 H CYS 8 H CYS 8 19.923 0.848 -6.099 59 HA CYS 8 HA CYS 8 21.898 -1.112 -5.204 60 HB2 CYS 8 HB2 CYS 8 19.090 -0.507 -4.166 61 HB3 CYS 8 HB3 CYS 8 20.287 -1.555 -3.393 62 H ALA 9 H ALA 9 19.212 -1.066 -7.351 63 HA ALA 9 HA ALA 9 18.031 -2.662 -8.444 64 HB1 ALA 9 HB1 ALA 9 19.319 -4.585 -9.252 65 HB2 ALA 9 HB2 ALA 9 20.306 -3.106 -9.314 66 HB3 ALA 9 HB3 ALA 9 20.570 -4.287 -8.015 67 H SER 10 H SER 10 17.455 -2.463 -5.702 68 HA SER 10 HA SER 10 16.612 -5.238 -5.086 69 HB2 SER 10 HB2 SER 10 18.762 -4.731 -3.914 70 HB3 SER 10 HB3 SER 10 17.955 -3.371 -3.104 71 HG SER 10 HG SER 10 17.905 -5.302 -1.850 72 H ARG 11 H ARG 11 14.833 -5.317 -3.543 73 HA ARG 11 HA ARG 11 12.985 -3.102 -4.073 74 HB2 ARG 11 HB2 ARG 11 12.633 -5.827 -2.777 75 HB3 ARG 11 HB3 ARG 11 11.322 -4.656 -3.040 76 HG2 ARG 11 HG2 ARG 11 11.874 -4.661 -5.491 77 HG3 ARG 11 HG3 ARG 11 13.040 -5.970 -5.189 78 HD2 ARG 11 HD2 ARG 11 10.066 -6.058 -4.540 79 HD3 ARG 11 HD3 ARG 11 10.816 -6.806 -5.957 80 HE ARG 11 HE ARG 11 10.941 -7.739 -3.171 81 HH11 ARG 11 HH11 ARG 11 12.248 -7.992 -6.444 82 HH12 ARG 11 HH12 ARG 11 12.933 -9.579 -6.180 83 HH21 ARG 11 HH21 ARG 11 11.826 -9.823 -2.854 84 HH22 ARG 11 HH22 ARG 11 12.696 -10.616 -4.146 85 H TYR 12 H TYR 12 11.803 -1.980 -2.513 86 HA TYR 12 HA TYR 12 12.447 -2.323 0.304 87 HB2 TYR 12 HB2 TYR 12 14.247 -0.895 -0.200 88 HB3 TYR 12 HB3 TYR 12 13.263 0.122 -1.249 89 HD1 TYR 12 HD1 TYR 12 14.070 -0.707 2.248 90 HD2 TYR 12 HD2 TYR 12 11.806 1.845 -0.367 91 HE1 TYR 12 HE1 TYR 12 13.640 0.853 4.144 92 HE2 TYR 12 HE2 TYR 12 11.391 3.417 1.513 93 HH TYR 12 HH TYR 12 11.750 3.859 3.732 94 H PHE 13 H PHE 13 10.783 -1.776 1.655 95 HA PHE 13 HA PHE 13 8.344 -1.123 0.158 96 HB2 PHE 13 HB2 PHE 13 7.219 -2.080 2.253 97 HB3 PHE 13 HB3 PHE 13 8.023 -3.152 1.112 98 HD1 PHE 13 HD1 PHE 13 8.366 -1.527 4.434 99 HD2 PHE 13 HD2 PHE 13 9.905 -4.478 1.716 100 HE1 PHE 13 HE1 PHE 13 9.782 -2.458 6.248 101 HE2 PHE 13 HE2 PHE 13 11.328 -5.406 3.531 102 HZ PHE 13 HZ PHE 13 11.262 -4.399 5.795 103 H VAL 14 H VAL 14 6.680 0.173 0.815 104 HA VAL 14 HA VAL 14 7.192 2.107 2.978 105 HB VAL 14 HB VAL 14 6.753 4.013 1.526 106 HG11 VAL 14 HG11 VAL 14 8.991 2.320 0.342 107 HG12 VAL 14 HG12 VAL 14 8.853 4.087 0.306 108 HG13 VAL 14 HG13 VAL 14 9.110 3.258 1.856 109 HG21 VAL 14 HG21 VAL 14 5.366 2.908 -0.188 110 HG22 VAL 14 HG22 VAL 14 6.721 3.774 -0.933 111 HG23 VAL 14 HG23 VAL 14 6.789 2.004 -0.766 112 H ASP 15 H ASP 15 5.180 3.438 3.392 113 HA ASP 15 HA ASP 15 2.859 1.779 3.429 114 HB2 ASP 15 HB2 ASP 15 3.352 3.532 5.100 115 HB3 ASP 15 HB3 ASP 15 3.153 4.776 3.858 116 H ASP 16 H ASP 16 0.838 2.101 2.297 117 HA ASP 16 HA ASP 16 1.245 2.415 -0.534 118 HB2 ASP 16 HB2 ASP 16 -0.387 0.877 0.644 119 HB3 ASP 16 HB3 ASP 16 -1.353 2.310 1.056 120 H SER 17 H SER 17 0.670 4.693 1.976 121 HA SER 17 HA SER 17 -0.829 6.583 0.322 122 HB2 SER 17 HB2 SER 17 -1.192 6.382 2.764 123 HB3 SER 17 HB3 SER 17 0.488 6.879 3.051 124 HG SER 17 HG SER 17 0.025 8.853 2.092 125 H LYS 18 H LYS 18 2.467 5.683 0.622 126 HA LYS 18 HA LYS 18 3.591 8.345 0.279 127 HB2 LYS 18 HB2 LYS 18 4.839 5.585 -0.014 128 HB3 LYS 18 HB3 LYS 18 5.725 7.115 0.033 129 HG2 LYS 18 HG2 LYS 18 3.981 6.013 2.275 130 HG3 LYS 18 HG3 LYS 18 5.756 5.994 2.228 131 HD2 LYS 18 HD2 LYS 18 5.745 8.497 2.110 132 HD3 LYS 18 HD3 LYS 18 3.973 8.462 2.302 133 HE2 LYS 18 HE2 LYS 18 4.236 7.258 4.450 134 HE3 LYS 18 HE3 LYS 18 5.998 7.309 4.256 135 HZ1 LYS 18 HZ1 LYS 18 4.233 9.665 4.469 136 HZ2 LYS 18 HZ2 LYS 18 5.195 9.081 5.667 137 HZ3 LYS 18 HZ3 LYS 18 5.866 9.707 4.303 138 H VAL 19 H VAL 19 1.979 6.238 -1.818 139 HA VAL 19 HA VAL 19 3.114 7.662 -4.151 140 HB VAL 19 HB VAL 19 2.668 4.664 -4.164 141 HG11 VAL 19 HG11 VAL 19 3.950 6.640 -6.104 142 HG12 VAL 19 HG12 VAL 19 3.958 4.875 -6.304 143 HG13 VAL 19 HG13 VAL 19 2.419 5.761 -6.344 144 HG21 VAL 19 HG21 VAL 19 4.575 5.144 -2.707 145 HG22 VAL 19 HG22 VAL 19 5.150 4.495 -4.251 146 HG23 VAL 19 HG23 VAL 19 5.266 6.241 -3.933 147 H GLY 20 H GLY 20 1.642 8.088 -5.788 148 HA2 GLY 20 HA2 GLY 20 -1.144 7.082 -5.371 149 HA3 GLY 20 HA3 GLY 20 -0.804 8.777 -5.740 150 HA PRO 21 HA PRO 21 -1.349 6.295 -9.682 151 HB2 PRO 21 HB2 PRO 21 -3.608 7.555 -10.612 152 HB3 PRO 21 HB3 PRO 21 -3.663 6.152 -9.497 153 HG2 PRO 21 HG2 PRO 21 -3.943 9.089 -8.842 154 HG3 PRO 21 HG3 PRO 21 -4.876 7.697 -8.200 155 HD2 PRO 21 HD2 PRO 21 -2.766 8.874 -6.865 156 HD3 PRO 21 HD3 PRO 21 -3.188 7.143 -6.678 157 H ASP 22 H ASP 22 -1.424 9.714 -8.763 158 HA ASP 22 HA ASP 22 -0.619 10.648 -11.403 159 HB2 ASP 22 HB2 ASP 22 -0.845 11.984 -8.692 160 HB3 ASP 22 HB3 ASP 22 -0.347 12.820 -10.174 161 H GLY 23 H GLY 23 0.964 8.937 -9.038 162 HA2 GLY 23 HA2 GLY 23 3.193 8.370 -8.924 163 HA3 GLY 23 HA3 GLY 23 3.593 9.643 -10.087 164 H ARG 24 H ARG 24 5.135 9.117 -7.795 165 HA ARG 24 HA ARG 24 5.150 11.754 -6.562 166 HB2 ARG 24 HB2 ARG 24 3.519 10.499 -5.136 167 HB3 ARG 24 HB3 ARG 24 4.753 9.249 -4.879 168 HG2 ARG 24 HG2 ARG 24 4.646 10.754 -2.957 169 HG3 ARG 24 HG3 ARG 24 6.211 10.908 -3.768 170 HD2 ARG 24 HD2 ARG 24 5.425 12.952 -4.922 171 HD3 ARG 24 HD3 ARG 24 3.836 12.773 -4.158 172 HE ARG 24 HE ARG 24 6.308 13.075 -2.503 173 HH11 ARG 24 HH11 ARG 24 3.123 14.247 -3.501 174 HH12 ARG 24 HH12 ARG 24 3.047 15.461 -2.243 175 HH21 ARG 24 HH21 ARG 24 6.182 14.657 -0.872 176 HH22 ARG 24 HH22 ARG 24 4.771 15.680 -0.746 177 H VAL 25 H VAL 25 7.219 12.252 -5.754 178 HA VAL 25 HA VAL 25 9.339 10.522 -6.717 179 HB VAL 25 HB VAL 25 9.351 13.020 -6.861 180 HG11 VAL 25 HG11 VAL 25 10.026 14.301 -4.885 181 HG12 VAL 25 HG12 VAL 25 8.486 13.465 -4.574 182 HG13 VAL 25 HG13 VAL 25 9.999 12.823 -3.888 183 HG21 VAL 25 HG21 VAL 25 11.405 11.664 -7.114 184 HG22 VAL 25 HG22 VAL 25 11.738 13.237 -6.362 185 HG23 VAL 25 HG23 VAL 25 11.686 11.763 -5.358 186 H VAL 26 H VAL 26 10.959 9.487 -5.534 187 HA VAL 26 HA VAL 26 10.535 9.228 -2.615 188 HB VAL 26 HB VAL 26 10.603 6.845 -2.669 189 HG11 VAL 26 HG11 VAL 26 8.711 7.734 -4.881 190 HG12 VAL 26 HG12 VAL 26 8.568 6.271 -3.889 191 HG13 VAL 26 HG13 VAL 26 8.386 7.875 -3.139 192 HG21 VAL 26 HG21 VAL 26 12.233 6.587 -4.530 193 HG22 VAL 26 HG22 VAL 26 10.808 5.554 -4.756 194 HG23 VAL 26 HG23 VAL 26 10.970 7.061 -5.686 195 H ARG 27 H ARG 27 12.430 8.036 -1.565 196 HA ARG 27 HA ARG 27 14.942 8.478 -3.078 197 HB2 ARG 27 HB2 ARG 27 14.469 10.525 -1.764 198 HB3 ARG 27 HB3 ARG 27 14.405 9.549 -0.283 199 HG2 ARG 27 HG2 ARG 27 16.758 8.875 -0.600 200 HG3 ARG 27 HG3 ARG 27 16.813 9.750 -2.150 201 HD2 ARG 27 HD2 ARG 27 16.288 11.863 -0.920 202 HD3 ARG 27 HD3 ARG 27 16.351 10.960 0.601 203 HE ARG 27 HE ARG 27 18.692 11.137 -1.268 204 HH11 ARG 27 HH11 ARG 27 17.315 11.354 1.978 205 HH12 ARG 27 HH12 ARG 27 18.860 11.633 2.747 206 HH21 ARG 27 HH21 ARG 27 20.697 11.515 -0.247 207 HH22 ARG 27 HH22 ARG 27 20.775 11.712 1.487 208 H CYS 28 H CYS 28 16.626 7.159 -2.536 209 HA CYS 28 HA CYS 28 15.862 4.606 -1.427 210 HB2 CYS 28 HB2 CYS 28 17.366 4.990 -3.404 211 HB3 CYS 28 HB3 CYS 28 18.599 5.628 -2.295 212 H ALA 29 H ALA 29 16.330 3.724 0.532 213 HA ALA 29 HA ALA 29 17.522 5.406 2.601 214 HB1 ALA 29 HB1 ALA 29 16.545 2.520 2.615 215 HB2 ALA 29 HB2 ALA 29 16.985 3.472 4.049 216 HB3 ALA 29 HB3 ALA 29 15.579 3.944 3.053 217 H SER 30 H SER 30 18.787 3.369 0.164 218 HA SER 30 HA SER 30 20.996 2.433 1.925 219 HB2 SER 30 HB2 SER 30 19.764 1.282 -0.595 220 HB3 SER 30 HB3 SER 30 21.271 0.677 0.127 221 HG SER 30 HG SER 30 20.147 0.196 2.001 222 H CYS 31 H CYS 31 20.312 4.471 -0.852 223 HA CYS 31 HA CYS 31 23.197 5.041 -0.919 224 HB2 CYS 31 HB2 CYS 31 23.484 4.761 -3.268 225 HB3 CYS 31 HB3 CYS 31 22.799 3.261 -2.619 226 H GLY 32 H GLY 32 20.049 6.191 -0.853 227 HA2 GLY 32 HA2 GLY 32 19.408 8.386 -0.583 228 HA3 GLY 32 HA3 GLY 32 21.057 8.908 -0.970 229 H ASN 33 H ASN 33 20.014 6.824 -3.416 230 HA ASN 33 HA ASN 33 19.875 8.834 -5.401 231 HB2 ASN 33 HB2 ASN 33 20.435 6.400 -5.715 232 HB3 ASN 33 HB3 ASN 33 18.728 6.015 -5.442 233 HD21 ASN 33 HD22 ASN 33 18.458 5.136 -7.529 234 HD22 ASN 33 HD21 ASN 33 18.423 6.142 -8.964 235 H ARG 34 H ARG 34 18.035 9.537 -6.674 236 HA ARG 34 HA ARG 34 15.402 9.322 -5.301 237 HB2 ARG 34 HB2 ARG 34 16.426 11.355 -4.457 238 HB3 ARG 34 HB3 ARG 34 16.843 11.873 -6.107 239 HG2 ARG 34 HG2 ARG 34 14.441 12.025 -6.677 240 HG3 ARG 34 HG3 ARG 34 14.015 11.460 -5.048 241 HD2 ARG 34 HD2 ARG 34 13.821 13.884 -5.144 242 HD3 ARG 34 HD3 ARG 34 15.156 13.431 -4.074 243 HE ARG 34 HE ARG 34 15.501 14.366 -6.903 244 HH11 ARG 34 HH11 ARG 34 16.596 14.242 -3.540 245 HH12 ARG 34 HH12 ARG 34 17.990 15.253 -3.838 246 HH21 ARG 34 HH21 ARG 34 17.324 15.670 -7.262 247 HH22 ARG 34 HH22 ARG 34 18.399 16.065 -5.942 248 H TRP 35 H TRP 35 13.686 9.168 -6.641 249 HA TRP 35 HA TRP 35 13.777 10.048 -9.414 250 HB2 TRP 35 HB2 TRP 35 13.582 7.880 -10.432 251 HB3 TRP 35 HB3 TRP 35 15.054 7.875 -9.466 252 HD1 TRP 35 HD1 TRP 35 11.766 6.138 -9.890 253 HE1 TRP 35 HE1 TRP 35 11.510 4.207 -8.258 254 HE3 TRP 35 HE3 TRP 35 15.809 7.080 -6.894 255 HZ2 TRP 35 HZ2 TRP 35 12.839 3.221 -5.891 256 HZ3 TRP 35 HZ3 TRP 35 16.269 5.633 -4.949 257 HH2 TRP 35 HH2 TRP 35 14.803 3.701 -4.433 258 H THR 36 H THR 36 11.651 9.635 -10.484 259 HA THR 36 HA THR 36 9.510 9.836 -8.544 260 HB THR 36 HB THR 36 9.054 9.669 -11.500 261 HG1 THR 36 HG1 THR 36 9.561 11.864 -11.594 262 HG21 THR 36 HG21 THR 36 7.825 11.282 -9.221 263 HG22 THR 36 HG22 THR 36 7.309 11.338 -10.924 264 HG23 THR 36 HG23 THR 36 7.114 9.841 -9.983 265 H ALA 37 H ALA 37 7.867 8.472 -8.074 266 HA ALA 37 HA ALA 37 7.990 5.748 -9.289 267 HB1 ALA 37 HB1 ALA 37 7.256 6.551 -6.448 268 HB2 ALA 37 HB2 ALA 37 7.281 4.897 -7.101 269 HB3 ALA 37 HB3 ALA 37 8.797 5.816 -6.950 270 H PHE 38 H PHE 38 5.878 4.584 -9.168 271 HA PHE 38 HA PHE 38 3.523 6.274 -8.910 272 HB2 PHE 38 HB2 PHE 38 2.705 5.448 -11.215 273 HB3 PHE 38 HB3 PHE 38 3.781 6.840 -11.093 274 HD1 PHE 38 HD1 PHE 38 3.551 3.297 -12.112 275 HD2 PHE 38 HD2 PHE 38 6.078 6.777 -11.877 276 HE1 PHE 38 HE1 PHE 38 5.173 2.231 -13.655 277 HE2 PHE 38 HE2 PHE 38 7.689 5.709 -13.418 278 HZ PHE 38 HZ PHE 38 7.239 3.435 -14.313 279 H LYS 39 H LYS 39 1.516 5.218 -8.726 280 HA LYS 39 HA LYS 39 1.838 2.731 -7.301 281 HB2 LYS 39 HB2 LYS 39 0.302 4.447 -6.553 282 HB3 LYS 39 HB3 LYS 39 -0.625 4.336 -8.062 283 HG2 LYS 39 HG2 LYS 39 -1.434 2.162 -7.554 284 HG3 LYS 39 HG3 LYS 39 -0.194 1.894 -6.312 285 HD2 LYS 39 HD2 LYS 39 -2.414 3.967 -6.088 286 HD3 LYS 39 HD3 LYS 39 -2.462 2.344 -5.364 287 HE2 LYS 39 HE2 LYS 39 -0.364 2.841 -4.121 288 HE3 LYS 39 HE3 LYS 39 -0.366 4.479 -4.797 289 HZ1 LYS 39 HZ1 LYS 39 -1.319 4.434 -2.617 290 HZ2 LYS 39 HZ2 LYS 39 -2.479 4.841 -3.713 291 HZ3 LYS 39 HZ3 LYS 39 -2.442 3.325 -3.063 292 H ASP 40 H ASP 40 0.997 0.719 -7.724 293 HA ASP 40 HA ASP 40 -0.278 0.132 -10.303 294 HB2 ASP 40 HB2 ASP 40 2.222 0.219 -10.724 295 HB3 ASP 40 HB3 ASP 40 2.417 -1.078 -9.538 296 H GLU 41 H GLU 41 0.384 -0.420 -6.980 297 HA GLU 41 HA GLU 41 -0.260 -3.217 -6.819 298 HB2 GLU 41 HB2 GLU 41 1.045 -2.009 -5.128 299 HB3 GLU 41 HB3 GLU 41 -0.338 -0.948 -4.786 300 HG2 GLU 41 HG2 GLU 41 -1.648 -2.803 -3.955 301 HG3 GLU 41 HG3 GLU 41 -0.408 -3.966 -4.475 302 H ALA 42 H ALA 42 -2.123 -0.315 -7.272 303 HA ALA 42 HA ALA 42 -4.621 -1.825 -7.254 304 HB1 ALA 42 HB1 ALA 42 -5.708 -0.318 -5.615 305 HB2 ALA 42 HB2 ALA 42 -4.365 -1.222 -4.870 306 HB3 ALA 42 HB3 ALA 42 -4.148 0.485 -5.325 307 H GLU 43 H GLU 43 -6.451 -0.405 -8.000 308 HA GLU 43 HA GLU 43 -5.632 2.076 -9.358 309 HB2 GLU 43 HB2 GLU 43 -5.032 0.339 -10.954 310 HB3 GLU 43 HB3 GLU 43 -6.648 -0.385 -10.835 311 HG2 GLU 43 HG2 GLU 43 -7.683 1.548 -11.855 312 HG3 GLU 43 HG3 GLU 43 -6.172 2.474 -11.750 313 H LEU 44 H LEU 44 -7.972 0.026 -7.875 314 HA LEU 44 HA LEU 44 -10.174 0.219 -7.414 315 HB2 LEU 44 HB2 LEU 44 -9.180 2.114 -6.139 316 HB3 LEU 44 HB3 LEU 44 -9.529 3.188 -7.494 317 HG LEU 44 HG LEU 44 -11.983 2.666 -7.234 318 HD11 LEU 44 HD11 LEU 44 -12.696 1.561 -5.128 319 HD12 LEU 44 HD12 LEU 44 -11.800 0.445 -6.177 320 HD13 LEU 44 HD13 LEU 44 -10.995 1.181 -4.765 321 HD21 LEU 44 HD21 LEU 44 -12.275 3.950 -5.158 322 HD22 LEU 44 HD22 LEU 44 -10.570 3.653 -4.727 323 HD23 LEU 44 HD23 LEU 44 -10.971 4.644 -6.145 324 H GLU 45 H GLU 45 -10.422 -0.652 -9.707 325 HA GLU 45 HA GLU 45 -11.349 1.145 -11.760 326 HB2 GLU 45 HB2 GLU 45 -11.664 -1.869 -11.422 327 HB3 GLU 45 HB3 GLU 45 -11.980 -0.954 -12.912 328 HG2 GLU 45 HG2 GLU 45 -9.607 -0.166 -12.897 329 HG3 GLU 45 HG3 GLU 45 -9.299 -1.181 -11.480 330 H LEU 46 H LEU 46 -12.797 0.195 -8.874 331 HA LEU 46 HA LEU 46 -15.506 -0.241 -9.756 332 HB2 LEU 46 HB2 LEU 46 -14.228 0.530 -7.107 333 HB3 LEU 46 HB3 LEU 46 -15.978 0.378 -7.298 334 HG LEU 46 HG LEU 46 -15.033 -1.650 -6.342 335 HD11 LEU 46 HD11 LEU 46 -15.942 -2.162 -9.201 336 HD12 LEU 46 HD12 LEU 46 -16.060 -3.273 -7.823 337 HD13 LEU 46 HD13 LEU 46 -17.024 -1.777 -7.842 338 HD21 LEU 46 HD21 LEU 46 -13.522 -3.107 -7.531 339 HD22 LEU 46 HD22 LEU 46 -13.526 -2.044 -8.955 340 HD23 LEU 46 HD23 LEU 46 -12.778 -1.501 -7.430 341 H VAL 47 H VAL 47 -17.320 1.215 -9.451 342 HA VAL 47 HA VAL 47 -16.802 3.855 -10.434 343 HB VAL 47 HB VAL 47 -19.203 4.166 -10.294 344 HG11 VAL 47 HG11 VAL 47 -18.574 1.274 -11.043 345 HG12 VAL 47 HG12 VAL 47 -19.961 2.237 -11.593 346 HG13 VAL 47 HG13 VAL 47 -18.314 2.691 -12.086 347 HG21 VAL 47 HG21 VAL 47 -19.602 3.237 -8.042 348 HG22 VAL 47 HG22 VAL 47 -20.673 2.493 -9.241 349 HG23 VAL 47 HG23 VAL 47 -19.254 1.600 -8.654 350 HA PRO 48 HA PRO 48 -16.219 6.035 -6.658 351 HB2 PRO 48 HB2 PRO 48 -16.987 8.567 -7.359 352 HB3 PRO 48 HB3 PRO 48 -15.505 7.791 -8.004 353 HG2 PRO 48 HG2 PRO 48 -18.227 8.034 -9.310 354 HG3 PRO 48 HG3 PRO 48 -16.616 8.302 -10.046 355 HD2 PRO 48 HD2 PRO 48 -18.028 5.956 -10.312 356 HD3 PRO 48 HD3 PRO 48 -16.240 6.003 -10.285 357 H ARG 49 H ARG 49 -19.322 5.503 -8.012 358 HA ARG 49 HA ARG 49 -20.935 7.098 -6.258 359 HB2 ARG 49 HB2 ARG 49 -21.589 4.541 -7.781 360 HB3 ARG 49 HB3 ARG 49 -22.770 5.642 -7.040 361 HG2 ARG 49 HG2 ARG 49 -21.976 7.482 -8.503 362 HG3 ARG 49 HG3 ARG 49 -20.802 6.378 -9.252 363 HD2 ARG 49 HD2 ARG 49 -22.773 6.541 -10.675 364 HD3 ARG 49 HD3 ARG 49 -22.670 4.911 -9.987 365 HE ARG 49 HE ARG 49 -24.581 5.310 -8.699 366 HH11 ARG 49 HH11 ARG 49 -23.558 8.248 -10.378 367 HH12 ARG 49 HH12 ARG 49 -25.049 9.098 -10.047 368 HH21 ARG 49 HH21 ARG 49 -26.522 6.435 -8.299 369 HH22 ARG 49 HH22 ARG 49 -26.725 8.074 -8.875
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