NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538899 | 2ley | 17733 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -3.094 8.944 1.770 2 H2 GLY 1 HT2 GLY 1 -3.521 8.567 3.367 3 H3 GLY 1 HT3 GLY 1 -2.376 7.623 2.556 4 HA2 GLY 1 HA1 GLY 1 -2.047 10.471 3.318 5 HA3 GLY 1 HA2 GLY 1 -1.300 9.104 4.135 6 H LEU 2 H LEU 2 0.817 9.738 3.713 7 HA LEU 2 HA LEU 2 1.657 9.329 0.935 8 HB2 LEU 2 HB2 LEU 2 1.490 11.787 1.469 9 HB3 LEU 2 HB1 LEU 2 2.731 11.547 2.682 10 HG LEU 2 HG LEU 2 4.289 10.811 0.891 11 HD11 LEU 2 HD11 LEU 2 3.414 10.168 -1.048 12 HD12 LEU 2 HD12 LEU 2 3.141 11.875 -1.400 13 HD13 LEU 2 HD13 LEU 2 1.859 10.908 -0.670 14 HD21 LEU 2 HD21 LEU 2 3.968 13.219 1.731 15 HD22 LEU 2 HD22 LEU 2 3.187 13.503 0.176 16 HD23 LEU 2 HD23 LEU 2 4.866 12.967 0.235 17 H LEU 3 H LEU 3 1.746 7.396 2.797 18 HA LEU 3 HA LEU 3 4.617 7.080 3.253 19 HB2 LEU 3 HB2 LEU 3 2.457 6.580 5.307 20 HB3 LEU 3 HB1 LEU 3 4.097 5.981 5.454 21 HG LEU 3 HG LEU 3 3.366 8.907 5.303 22 HD11 LEU 3 HD11 LEU 3 2.507 7.829 7.344 23 HD12 LEU 3 HD12 LEU 3 3.797 8.982 7.683 24 HD13 LEU 3 HD13 LEU 3 4.134 7.251 7.703 25 HD21 LEU 3 HD21 LEU 3 5.544 9.322 5.150 26 HD22 LEU 3 HD22 LEU 3 5.800 7.599 4.878 27 HD23 LEU 3 HD23 LEU 3 5.896 8.257 6.512 28 H CYS 4 H CYS 4 5.317 5.132 2.617 29 HA CYS 4 HA CYS 4 3.528 3.335 1.335 30 HB2 CYS 4 HB2 CYS 4 6.453 3.038 2.033 31 HB3 CYS 4 HB1 CYS 4 5.549 1.937 0.999 32 H TYR 5 H TYR 5 2.789 1.353 1.941 33 HA TYR 5 HA TYR 5 3.693 0.066 4.343 34 HB2 TYR 5 HB2 TYR 5 1.281 0.014 5.280 35 HB3 TYR 5 HB1 TYR 5 2.266 1.438 5.573 36 HD1 TYR 5 HD1 TYR 5 0.113 0.379 2.673 37 HD2 TYR 5 HD2 TYR 5 0.941 3.298 5.656 38 HE1 TYR 5 HE1 TYR 5 -1.670 1.810 1.765 39 HE2 TYR 5 HE2 TYR 5 -0.836 4.733 4.755 40 HH TYR 5 HH TYR 5 -2.981 3.627 2.182 41 H CYS 6 H CYS 6 2.739 -2.055 4.607 42 HA CYS 6 HA CYS 6 2.208 -3.228 2.043 43 HB2 CYS 6 HB2 CYS 6 2.332 -4.498 4.785 44 HB3 CYS 6 HB1 CYS 6 2.278 -5.369 3.254 45 H GLY 7 H GLY 7 0.305 -3.294 1.165 46 HA2 GLY 7 HA2 GLY 7 -2.118 -2.939 2.681 47 HA3 GLY 7 HA1 GLY 7 -1.986 -3.136 0.938 48 H LYS 8 H LYS 8 -3.761 -4.399 2.952 49 HA LYS 8 HA LYS 8 -2.959 -7.193 2.871 50 HB2 LYS 8 HB2 LYS 8 -5.414 -5.876 4.054 51 HB3 LYS 8 HB1 LYS 8 -4.989 -7.573 4.225 52 HG2 LYS 8 HG2 LYS 8 -2.988 -6.974 5.460 53 HG3 LYS 8 HG1 LYS 8 -3.347 -5.260 5.239 54 HD2 LYS 8 HD2 LYS 8 -5.164 -7.204 6.661 55 HD3 LYS 8 HD1 LYS 8 -3.990 -6.169 7.476 56 HE2 LYS 8 HE2 LYS 8 -6.251 -5.195 5.732 57 HE3 LYS 8 HE1 LYS 8 -6.275 -5.231 7.495 58 HZ1 LYS 8 HZ1 LYS 8 -5.166 -3.327 7.570 59 HZ2 LYS 8 HZ2 LYS 8 -5.351 -3.190 5.894 60 HZ3 LYS 8 HZ3 LYS 8 -3.954 -3.900 6.536 61 H GLY 9 H GLY 9 -3.412 -8.346 1.116 62 HA2 GLY 9 HA2 GLY 9 -4.715 -9.331 -0.520 63 HA3 GLY 9 HA1 GLY 9 -6.067 -8.339 0.000 64 H HIS 10 H HIS 10 -5.118 -5.789 -0.366 65 HA HIS 10 HA HIS 10 -3.810 -5.332 -2.821 66 HB2 HIS 10 HB2 HIS 10 -5.629 -4.720 -4.285 67 HB3 HIS 10 HB1 HIS 10 -5.908 -6.364 -3.727 68 HD1 HIS 10 HD1 HIS 10 -7.098 -2.821 -2.982 69 HD2 HIS 10 HD2 HIS 10 -8.365 -6.772 -2.628 70 HE1 HIS 10 HE1 HIS 10 -9.477 -2.703 -2.173 71 HE2 HIS 10 HE2 HIS 10 -10.170 -5.101 -1.830 72 H CYS 11 H CYS 11 -3.686 -3.081 -3.338 73 HA CYS 11 HA CYS 11 -4.006 -1.378 -1.036 74 HB2 CYS 11 HB2 CYS 11 -3.258 -0.441 -3.804 75 HB3 CYS 11 HB1 CYS 11 -2.796 0.253 -2.255 76 H LYS 12 H LYS 12 -5.100 0.769 -1.263 77 HA LYS 12 HA LYS 12 -7.583 0.440 -2.816 78 HB2 LYS 12 HB2 LYS 12 -8.281 2.413 -1.167 79 HB3 LYS 12 HB1 LYS 12 -8.427 0.721 -0.716 80 HG2 LYS 12 HG2 LYS 12 -6.647 0.811 0.732 81 HG3 LYS 12 HG1 LYS 12 -5.914 2.191 -0.088 82 HD2 LYS 12 HD2 LYS 12 -8.503 2.345 1.446 83 HD3 LYS 12 HD1 LYS 12 -6.924 2.693 2.157 84 HE2 LYS 12 HE2 LYS 12 -8.198 4.119 -0.177 85 HE3 LYS 12 HE1 LYS 12 -8.007 4.751 1.458 86 HZ1 LYS 12 HZ1 LYS 12 -6.158 4.771 -0.690 87 HZ2 LYS 12 HZ2 LYS 12 -5.481 3.961 0.644 88 HZ3 LYS 12 HZ3 LYS 12 -6.058 5.548 0.810 89 H ARG 13 H ARG 13 -8.584 2.630 -3.420 90 HA ARG 13 HA ARG 13 -7.090 3.830 -5.379 91 HB2 ARG 13 HB2 ARG 13 -9.359 5.054 -3.799 92 HB3 ARG 13 HB1 ARG 13 -8.744 5.681 -5.322 93 HG2 ARG 13 HG2 ARG 13 -9.382 3.589 -6.431 94 HG3 ARG 13 HG1 ARG 13 -10.027 2.988 -4.902 95 HD2 ARG 13 HD2 ARG 13 -11.829 3.842 -6.265 96 HD3 ARG 13 HD1 ARG 13 -11.608 4.877 -4.855 97 HE ARG 13 HE ARG 13 -10.106 5.944 -6.956 98 HH11 ARG 13 HH11 ARG 13 -13.460 5.408 -6.124 99 HH12 ARG 13 HH12 ARG 13 -14.043 6.756 -7.043 100 HH21 ARG 13 HH21 ARG 13 -10.866 7.731 -8.179 101 HH22 ARG 13 HH22 ARG 13 -12.563 8.080 -8.215 102 H GLY 14 H GLY 14 -5.662 5.443 -5.543 103 HA2 GLY 14 HA2 GLY 14 -4.642 7.485 -4.845 104 HA3 GLY 14 HA1 GLY 14 -5.123 7.120 -3.193 105 H GLU 15 H GLU 15 -4.224 4.301 -3.508 106 HA GLU 15 HA GLU 15 -1.408 4.807 -2.918 107 HB2 GLU 15 HB2 GLU 15 -3.083 2.326 -2.506 108 HB3 GLU 15 HB1 GLU 15 -1.451 2.581 -1.903 109 HG2 GLU 15 HG2 GLU 15 -2.135 4.130 -0.333 110 HG3 GLU 15 HG1 GLU 15 -3.645 4.464 -1.176 111 H ARG 16 H ARG 16 0.258 3.994 -4.072 112 HA ARG 16 HA ARG 16 -0.429 2.561 -6.543 113 HB2 ARG 16 HB2 ARG 16 1.996 4.202 -5.798 114 HB3 ARG 16 HB1 ARG 16 1.882 3.255 -7.275 115 HG2 ARG 16 HG2 ARG 16 0.095 5.551 -6.495 116 HG3 ARG 16 HG1 ARG 16 1.380 5.587 -7.703 117 HD2 ARG 16 HD2 ARG 16 0.171 3.841 -8.977 118 HD3 ARG 16 HD1 ARG 16 -1.137 3.929 -7.800 119 HE ARG 16 HE ARG 16 -0.636 6.499 -8.818 120 HH11 ARG 16 HH11 ARG 16 -1.965 3.424 -9.810 121 HH12 ARG 16 HH12 ARG 16 -3.013 4.109 -11.007 122 HH21 ARG 16 HH21 ARG 16 -2.018 7.421 -10.401 123 HH22 ARG 16 HH22 ARG 16 -3.043 6.392 -11.342 124 H VAL 17 H VAL 17 0.156 0.510 -6.791 125 HA VAL 17 HA VAL 17 1.407 -0.909 -4.659 126 HB VAL 17 HB VAL 17 -0.339 -1.982 -5.960 127 HG11 VAL 17 HG11 VAL 17 -0.460 -2.007 -8.186 128 HG12 VAL 17 HG21 VAL 17 1.211 -2.540 -8.357 129 HG13 VAL 17 3HG1 VAL 17 0.848 -0.826 -8.156 130 HG21 VAL 17 HG12 VAL 17 0.687 -3.841 -5.305 131 HG22 VAL 17 HG22 VAL 17 2.280 -3.129 -5.557 132 HG23 VAL 17 HG23 VAL 17 1.439 -3.904 -6.898 133 H ARG 18 H ARG 18 3.446 -1.707 -4.488 134 HA ARG 18 HA ARG 18 5.304 -1.266 -6.723 135 HB2 ARG 18 HB2 ARG 18 5.666 -0.361 -3.872 136 HB3 ARG 18 HB1 ARG 18 7.018 -0.560 -4.975 137 HG2 ARG 18 HG2 ARG 18 6.109 1.127 -6.449 138 HG3 ARG 18 HG1 ARG 18 4.678 1.282 -5.424 139 HD2 ARG 18 HD2 ARG 18 6.312 3.068 -5.008 140 HD3 ARG 18 HD1 ARG 18 6.044 2.065 -3.584 141 HE ARG 18 HE ARG 18 8.273 1.183 -5.143 142 HH11 ARG 18 HH11 ARG 18 7.244 3.421 -2.661 143 HH12 ARG 18 HH12 ARG 18 8.840 3.668 -2.035 144 HH21 ARG 18 HH21 ARG 18 10.390 1.497 -4.317 145 HH22 ARG 18 HH22 ARG 18 10.636 2.571 -2.981 146 H GLY 19 H GLY 19 4.090 -3.688 -5.945 147 HA2 GLY 19 HA2 GLY 19 5.276 -5.795 -6.146 148 HA3 GLY 19 HA1 GLY 19 6.475 -5.159 -5.030 149 H THR 20 H THR 20 6.286 -6.853 -3.588 150 HA THR 20 HA THR 20 3.839 -6.836 -1.963 151 HB THR 20 HB THR 20 4.258 -9.352 -1.645 152 HG1 THR 20 HG1 THR 20 6.318 -9.352 -2.721 153 HG21 THR 20 HG12 THR 20 2.405 -9.447 -2.877 154 HG22 THR 20 HG22 THR 20 3.392 -9.427 -4.337 155 HG23 THR 20 HG23 THR 20 2.810 -7.913 -3.645 156 H CYS 21 H CYS 21 4.190 -7.592 0.259 157 HA CYS 21 HA CYS 21 6.932 -7.906 1.136 158 HB2 CYS 21 HB2 CYS 21 6.592 -6.003 2.838 159 HB3 CYS 21 HB1 CYS 21 7.043 -5.583 1.192 160 H GLY 22 H GLY 22 4.942 -9.721 1.287 161 HA2 GLY 22 HA2 GLY 22 5.005 -10.781 3.748 162 HA3 GLY 22 HA1 GLY 22 3.697 -9.614 3.901 163 H ILE 23 H ILE 23 3.193 -12.307 4.267 164 HA ILE 23 HA ILE 23 2.351 -13.609 1.904 165 HB ILE 23 HB ILE 23 0.884 -14.971 3.449 166 HG12 ILE 23 HG21 ILE 23 2.329 -13.381 5.585 167 HG13 ILE 23 HG11 ILE 23 0.618 -13.235 5.204 168 HG21 ILE 23 HG12 ILE 23 2.660 -16.316 4.086 169 HG22 ILE 23 HG22 ILE 23 3.707 -14.941 4.438 170 HG23 ILE 23 HG23 ILE 23 3.346 -15.369 2.765 171 HD11 ILE 23 HD11 ILE 23 0.158 -14.873 6.610 172 HD12 ILE 23 HD12 ILE 23 1.871 -15.000 7.010 173 HD13 ILE 23 HD13 ILE 23 1.196 -15.972 5.702 174 H ARG 24 H ARG 24 0.907 -12.866 0.584 175 HA ARG 24 HA ARG 24 -0.994 -12.024 -0.313 176 HB2 ARG 24 HB2 ARG 24 -2.081 -12.410 2.480 177 HB3 ARG 24 HB1 ARG 24 -3.053 -11.870 1.118 178 HG2 ARG 24 HG2 ARG 24 -1.623 -14.510 1.350 179 HG3 ARG 24 HG1 ARG 24 -3.359 -14.239 1.499 180 HD2 ARG 24 HD2 ARG 24 -1.680 -13.767 -0.963 181 HD3 ARG 24 HD1 ARG 24 -2.801 -15.102 -0.709 182 HE ARG 24 HE ARG 24 -3.440 -12.476 -1.591 183 HH11 ARG 24 HH11 ARG 24 -4.703 -15.144 0.296 184 HH12 ARG 24 HH12 ARG 24 -6.359 -14.697 0.063 185 HH21 ARG 24 HH21 ARG 24 -5.626 -11.883 -1.906 186 HH22 ARG 24 HH22 ARG 24 -6.886 -12.835 -1.194 187 H PHE 25 H PHE 25 1.094 -10.414 1.209 188 HA PHE 25 HA PHE 25 -0.462 -7.922 1.433 189 HB2 PHE 25 HB2 PHE 25 2.041 -8.787 2.869 190 HB3 PHE 25 HB1 PHE 25 1.599 -7.092 2.711 191 HD1 PHE 25 HD1 PHE 25 -0.712 -9.937 3.314 192 HD2 PHE 25 HD2 PHE 25 1.227 -6.515 4.932 193 HE1 PHE 25 HE1 PHE 25 -2.098 -10.115 5.336 194 HE2 PHE 25 HE2 PHE 25 -0.156 -6.686 6.958 195 HZ PHE 25 HZ PHE 25 -1.820 -8.488 7.163 196 H LEU 26 H LEU 26 0.131 -6.235 0.229 197 HA LEU 26 HA LEU 26 2.504 -6.576 -1.481 198 HB2 LEU 26 HB2 LEU 26 1.363 -5.474 -3.310 199 HB3 LEU 26 HB1 LEU 26 0.483 -6.899 -2.807 200 HG LEU 26 HG LEU 26 -0.301 -4.100 -1.992 201 HD11 LEU 26 HD11 LEU 26 -1.431 -3.814 -3.904 202 HD12 LEU 26 HD12 LEU 26 -1.955 -5.497 -3.957 203 HD13 LEU 26 HD13 LEU 26 -0.356 -5.051 -4.554 204 HD21 LEU 26 HD21 LEU 26 -2.362 -5.064 -1.324 205 HD22 LEU 26 HD22 LEU 26 -1.092 -6.069 -0.623 206 HD23 LEU 26 HD23 LEU 26 -1.955 -6.613 -2.062 207 H TYR 27 H TYR 27 3.544 -4.608 -2.171 208 HA TYR 27 HA TYR 27 3.663 -2.709 -0.012 209 HB2 TYR 27 HB2 TYR 27 5.589 -3.637 -1.500 210 HB3 TYR 27 HB1 TYR 27 5.076 -2.408 -2.649 211 HD1 TYR 27 HD2 TYR 27 5.171 -2.108 1.055 212 HD2 TYR 27 HD1 TYR 27 6.920 -0.967 -2.650 213 HE1 TYR 27 HE2 TYR 27 6.568 -0.458 2.227 214 HE2 TYR 27 HE1 TYR 27 8.322 0.684 -1.489 215 HH TYR 27 HH TYR 27 8.646 0.754 1.909 216 H CYS 28 H CYS 28 2.423 -0.932 0.136 217 HA CYS 28 HA CYS 28 1.325 0.182 -2.364 218 HB2 CYS 28 HB2 CYS 28 0.014 0.253 0.362 219 HB3 CYS 28 HB1 CYS 28 -0.688 0.777 -1.165 220 H CYS 29 H CYS 29 1.783 2.245 -2.759 221 HA CYS 29 HA CYS 29 2.683 3.927 -0.514 222 HB2 CYS 29 HB2 CYS 29 3.784 3.872 -3.332 223 HB3 CYS 29 HB1 CYS 29 4.207 5.073 -2.116 224 HA PRO 30 HA PRO 30 -0.883 6.066 -2.305 225 HB2 PRO 30 HB2 PRO 30 -1.619 7.314 -0.042 226 HB3 PRO 30 HB1 PRO 30 -1.986 5.611 -0.342 227 HG2 PRO 30 HG2 PRO 30 0.200 6.818 1.310 228 HG3 PRO 30 HG1 PRO 30 -0.843 5.431 1.676 229 HD2 PRO 30 HD2 PRO 30 1.708 5.189 0.734 230 HD3 PRO 30 HD1 PRO 30 0.438 3.985 0.441 231 H ARG 31 H ARG 31 -1.214 8.142 -2.941 232 HA ARG 31 HA ARG 31 0.824 10.117 -2.145 233 HB2 ARG 31 HB2 ARG 31 0.691 11.065 -4.419 234 HB3 ARG 31 HB1 ARG 31 1.271 9.407 -4.429 235 HG2 ARG 31 HG2 ARG 31 -0.821 8.595 -5.217 236 HG3 ARG 31 HG1 ARG 31 -1.585 10.166 -4.976 237 HD2 ARG 31 HD2 ARG 31 0.699 9.689 -6.883 238 HD3 ARG 31 HD1 ARG 31 -0.996 9.611 -7.355 239 HE ARG 31 HE ARG 31 -1.150 11.920 -7.157 240 HH11 ARG 31 HH11 ARG 31 2.046 10.828 -6.226 241 HH12 ARG 31 HH12 ARG 31 2.715 12.424 -6.164 242 HH21 ARG 31 HH21 ARG 31 -0.270 14.029 -7.078 243 HH22 ARG 31 HH22 ARG 31 1.394 14.248 -6.651 244 H ARG 32 H ARG 32 -1.720 9.603 -0.987 245 HA ARG 32 HA ARG 32 -2.752 12.229 -0.840 246 HB2 ARG 32 HB2 ARG 32 -3.829 11.622 -2.955 247 HB3 ARG 32 HB1 ARG 32 -4.475 10.160 -2.228 248 HG2 ARG 32 HG2 ARG 32 -6.186 11.872 -2.425 249 HG3 ARG 32 HG1 ARG 32 -5.860 11.500 -0.733 250 HD2 ARG 32 HD2 ARG 32 -4.558 13.810 -2.153 251 HD3 ARG 32 HD1 ARG 32 -6.123 13.957 -1.353 252 HE ARG 32 HE ARG 32 -4.341 12.828 0.479 253 HH11 ARG 32 HH11 ARG 32 -4.756 15.855 -1.239 254 HH12 ARG 32 HH12 ARG 32 -3.992 16.805 -0.010 255 HH21 ARG 32 HH21 ARG 32 -3.342 14.062 2.091 256 HH22 ARG 32 HH22 ARG 32 -3.182 15.777 1.902 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 2.669 9.766 -1.053 2 H2 GLY 1 HT2 GLY 1 2.163 10.901 -2.197 3 H3 GLY 1 HT3 GLY 1 1.845 11.165 -0.551 4 HA2 GLY 1 HA1 GLY 1 4.104 11.909 -2.063 5 HA3 GLY 1 HA2 GLY 1 3.725 12.292 -0.389 6 H LEU 2 H LEU 2 5.699 11.982 0.530 7 HA LEU 2 HA LEU 2 7.302 9.668 -0.053 8 HB2 LEU 2 HB2 LEU 2 7.585 11.779 2.088 9 HB3 LEU 2 HB1 LEU 2 8.778 10.546 1.730 10 HG LEU 2 HG LEU 2 7.899 12.731 -0.161 11 HD11 LEU 2 HD11 LEU 2 9.206 13.828 1.392 12 HD12 LEU 2 HD12 LEU 2 10.399 13.331 0.193 13 HD13 LEU 2 HD13 LEU 2 10.222 12.419 1.692 14 HD21 LEU 2 HD21 LEU 2 9.621 11.949 -1.634 15 HD22 LEU 2 HD22 LEU 2 8.557 10.595 -1.253 16 HD23 LEU 2 HD23 LEU 2 10.130 10.728 -0.468 17 H LEU 3 H LEU 3 5.236 8.381 0.527 18 HA LEU 3 HA LEU 3 5.690 7.234 3.155 19 HB2 LEU 3 HB2 LEU 3 4.001 8.950 3.592 20 HB3 LEU 3 HB1 LEU 3 2.996 8.310 2.306 21 HG LEU 3 HG LEU 3 2.786 6.184 3.601 22 HD11 LEU 3 HD11 LEU 3 4.539 7.706 5.452 23 HD12 LEU 3 HD12 LEU 3 4.510 5.984 5.074 24 HD13 LEU 3 HD13 LEU 3 3.292 6.670 6.149 25 HD21 LEU 3 HD21 LEU 3 1.672 8.791 4.280 26 HD22 LEU 3 HD22 LEU 3 1.581 7.624 5.600 27 HD23 LEU 3 HD23 LEU 3 0.867 7.241 4.032 28 H CYS 4 H CYS 4 5.369 5.095 3.158 29 HA CYS 4 HA CYS 4 3.751 3.819 1.103 30 HB2 CYS 4 HB2 CYS 4 6.693 3.232 1.520 31 HB3 CYS 4 HB1 CYS 4 5.601 2.187 0.622 32 H TYR 5 H TYR 5 2.948 1.808 1.768 33 HA TYR 5 HA TYR 5 3.924 0.579 4.182 34 HB2 TYR 5 HB2 TYR 5 1.695 0.748 5.354 35 HB3 TYR 5 HB1 TYR 5 2.610 2.246 5.274 36 HD1 TYR 5 HD1 TYR 5 0.011 0.429 3.283 37 HD2 TYR 5 HD2 TYR 5 1.448 4.159 4.737 38 HE1 TYR 5 HE1 TYR 5 -1.923 1.557 2.282 39 HE2 TYR 5 HE2 TYR 5 -0.488 5.299 3.738 40 HH TYR 5 HH TYR 5 -2.287 4.154 1.413 41 H CYS 6 H CYS 6 2.592 -1.375 4.735 42 HA CYS 6 HA CYS 6 2.029 -2.768 2.279 43 HB2 CYS 6 HB2 CYS 6 1.985 -3.727 5.142 44 HB3 CYS 6 HB1 CYS 6 1.859 -4.756 3.718 45 H GLY 7 H GLY 7 0.133 -2.880 1.376 46 HA2 GLY 7 HA2 GLY 7 -2.290 -2.218 2.829 47 HA3 GLY 7 HA1 GLY 7 -2.145 -2.506 1.097 48 H LYS 8 H LYS 8 -3.971 -3.605 3.206 49 HA LYS 8 HA LYS 8 -3.289 -6.390 3.409 50 HB2 LYS 8 HB2 LYS 8 -4.527 -5.268 5.209 51 HB3 LYS 8 HB1 LYS 8 -5.845 -4.924 4.099 52 HG2 LYS 8 HG2 LYS 8 -6.463 -6.787 5.459 53 HG3 LYS 8 HG1 LYS 8 -6.177 -7.370 3.819 54 HD2 LYS 8 HD2 LYS 8 -5.178 -8.920 5.349 55 HD3 LYS 8 HD1 LYS 8 -3.883 -8.043 4.533 56 HE2 LYS 8 HE2 LYS 8 -3.382 -8.235 6.891 57 HE3 LYS 8 HE1 LYS 8 -3.702 -6.549 6.486 58 HZ1 LYS 8 HZ1 LYS 8 -5.102 -8.291 8.280 59 HZ2 LYS 8 HZ2 LYS 8 -6.141 -7.510 7.198 60 HZ3 LYS 8 HZ3 LYS 8 -5.114 -6.601 8.187 61 H GLY 9 H GLY 9 -3.419 -7.634 1.674 62 HA2 GLY 9 HA2 GLY 9 -4.431 -8.820 -0.017 63 HA3 GLY 9 HA1 GLY 9 -5.919 -7.954 0.319 64 H HIS 10 H HIS 10 -5.001 -5.306 -0.133 65 HA HIS 10 HA HIS 10 -3.712 -5.068 -2.658 66 HB2 HIS 10 HB2 HIS 10 -5.572 -4.511 -4.081 67 HB3 HIS 10 HB1 HIS 10 -5.901 -6.084 -3.367 68 HD1 HIS 10 HD1 HIS 10 -7.331 -5.582 -0.858 69 HD2 HIS 10 HD2 HIS 10 -7.859 -3.099 -4.150 70 HE1 HIS 10 HE1 HIS 10 -9.550 -4.459 -0.505 71 HE2 HIS 10 HE2 HIS 10 -9.776 -2.854 -2.433 72 H CYS 11 H CYS 11 -3.731 -2.854 -3.453 73 HA CYS 11 HA CYS 11 -3.705 -0.968 -1.285 74 HB2 CYS 11 HB2 CYS 11 -3.256 -0.407 -4.218 75 HB3 CYS 11 HB1 CYS 11 -2.710 0.546 -2.847 76 H LYS 12 H LYS 12 -4.733 1.176 -1.510 77 HA LYS 12 HA LYS 12 -7.539 0.864 -2.153 78 HB2 LYS 12 HB2 LYS 12 -6.152 3.349 -1.146 79 HB3 LYS 12 HB1 LYS 12 -7.858 2.943 -1.019 80 HG2 LYS 12 HG2 LYS 12 -7.430 1.260 0.589 81 HG3 LYS 12 HG1 LYS 12 -5.690 1.344 0.308 82 HD2 LYS 12 HD2 LYS 12 -6.010 3.848 1.013 83 HD3 LYS 12 HD1 LYS 12 -7.471 3.225 1.788 84 HE2 LYS 12 HE2 LYS 12 -5.623 3.227 3.359 85 HE3 LYS 12 HE1 LYS 12 -6.108 1.573 2.990 86 HZ1 LYS 12 HZ1 LYS 12 -4.205 2.023 1.135 87 HZ2 LYS 12 HZ2 LYS 12 -3.928 1.283 2.634 88 HZ3 LYS 12 HZ3 LYS 12 -3.615 2.935 2.440 89 H ARG 13 H ARG 13 -8.725 2.280 -3.498 90 HA ARG 13 HA ARG 13 -7.532 2.843 -5.998 91 HB2 ARG 13 HB2 ARG 13 -9.745 3.906 -6.530 92 HB3 ARG 13 HB1 ARG 13 -9.845 2.248 -5.956 93 HG2 ARG 13 HG2 ARG 13 -10.527 3.010 -3.763 94 HG3 ARG 13 HG1 ARG 13 -10.327 4.692 -4.259 95 HD2 ARG 13 HD2 ARG 13 -12.072 4.368 -5.968 96 HD3 ARG 13 HD1 ARG 13 -12.295 2.712 -5.404 97 HE ARG 13 HE ARG 13 -12.592 4.452 -3.226 98 HH11 ARG 13 HH11 ARG 13 -14.228 3.606 -6.198 99 HH12 ARG 13 HH12 ARG 13 -15.804 4.009 -5.603 100 HH21 ARG 13 HH21 ARG 13 -14.672 4.994 -2.427 101 HH22 ARG 13 HH22 ARG 13 -16.057 4.804 -3.451 102 H GLY 14 H GLY 14 -5.779 4.174 -5.174 103 HA2 GLY 14 HA2 GLY 14 -6.036 6.870 -5.820 104 HA3 GLY 14 HA1 GLY 14 -6.168 6.746 -4.067 105 H GLU 15 H GLU 15 -4.457 4.378 -3.982 106 HA GLU 15 HA GLU 15 -1.887 5.764 -4.251 107 HB2 GLU 15 HB2 GLU 15 -1.085 3.889 -2.724 108 HB3 GLU 15 HB1 GLU 15 -2.164 5.080 -2.025 109 HG2 GLU 15 HG2 GLU 15 -4.045 3.465 -2.505 110 HG3 GLU 15 HG1 GLU 15 -2.796 2.276 -2.862 111 H ARG 16 H ARG 16 -0.014 4.388 -4.866 112 HA ARG 16 HA ARG 16 -0.858 2.541 -6.999 113 HB2 ARG 16 HB2 ARG 16 0.232 4.458 -7.943 114 HB3 ARG 16 HB1 ARG 16 1.573 4.323 -6.812 115 HG2 ARG 16 HG2 ARG 16 2.377 2.356 -7.868 116 HG3 ARG 16 HG1 ARG 16 0.915 2.204 -8.840 117 HD2 ARG 16 HD2 ARG 16 2.801 4.540 -9.037 118 HD3 ARG 16 HD1 ARG 16 2.937 3.099 -10.042 119 HE ARG 16 HE ARG 16 0.317 4.187 -10.170 120 HH11 ARG 16 HH11 ARG 16 3.577 4.673 -11.330 121 HH12 ARG 16 HH12 ARG 16 3.087 5.476 -12.786 122 HH21 ARG 16 HH21 ARG 16 -0.352 5.250 -12.091 123 HH22 ARG 16 HH22 ARG 16 0.839 5.805 -13.221 124 H VAL 17 H VAL 17 0.073 0.577 -7.227 125 HA VAL 17 HA VAL 17 1.098 -0.688 -4.928 126 HB VAL 17 HB VAL 17 1.512 -2.636 -6.406 127 HG11 VAL 17 HG11 VAL 17 -0.717 -3.180 -6.659 128 HG12 VAL 17 HG21 VAL 17 -1.167 -1.552 -7.163 129 HG13 VAL 17 3HG1 VAL 17 -0.792 -1.881 -5.471 130 HG21 VAL 17 HG12 VAL 17 1.380 -0.598 -8.462 131 HG22 VAL 17 HG22 VAL 17 0.281 -1.936 -8.795 132 HG23 VAL 17 HG23 VAL 17 1.999 -2.247 -8.548 133 H ARG 18 H ARG 18 3.125 -1.198 -4.324 134 HA ARG 18 HA ARG 18 5.316 -0.078 -5.944 135 HB2 ARG 18 HB2 ARG 18 4.864 0.973 -3.695 136 HB3 ARG 18 HB1 ARG 18 5.313 -0.559 -2.961 137 HG2 ARG 18 HG2 ARG 18 7.176 0.949 -2.870 138 HG3 ARG 18 HG1 ARG 18 7.545 -0.362 -3.993 139 HD2 ARG 18 HD2 ARG 18 7.072 1.054 -5.880 140 HD3 ARG 18 HD1 ARG 18 6.510 2.347 -4.821 141 HE ARG 18 HE ARG 18 9.202 1.771 -5.542 142 HH11 ARG 18 HH11 ARG 18 7.211 3.047 -2.952 143 HH12 ARG 18 HH12 ARG 18 8.503 3.944 -2.229 144 HH21 ARG 18 HH21 ARG 18 10.913 2.963 -4.585 145 HH22 ARG 18 HH22 ARG 18 10.611 3.898 -3.158 146 H GLY 19 H GLY 19 4.124 -2.823 -4.164 147 HA2 GLY 19 HA2 GLY 19 5.471 -4.753 -5.598 148 HA3 GLY 19 HA1 GLY 19 6.516 -4.366 -4.237 149 H THR 20 H THR 20 6.297 -6.298 -3.162 150 HA THR 20 HA THR 20 3.657 -6.758 -1.960 151 HB THR 20 HB THR 20 4.290 -9.246 -1.991 152 HG1 THR 20 HG1 THR 20 6.446 -8.984 -2.713 153 HG21 THR 20 HG12 THR 20 3.127 -7.572 -4.077 154 HG22 THR 20 HG22 THR 20 2.549 -9.092 -3.396 155 HG23 THR 20 HG23 THR 20 3.747 -9.105 -4.689 156 H CYS 21 H CYS 21 3.682 -7.320 0.186 157 HA CYS 21 HA CYS 21 6.277 -7.042 1.512 158 HB2 CYS 21 HB2 CYS 21 3.475 -6.963 2.644 159 HB3 CYS 21 HB1 CYS 21 4.948 -6.727 3.579 160 H GLY 22 H GLY 22 3.548 -9.257 1.238 161 HA2 GLY 22 HA2 GLY 22 5.056 -11.561 1.568 162 HA3 GLY 22 HA1 GLY 22 4.467 -11.118 3.165 163 H ILE 23 H ILE 23 3.174 -12.956 3.312 164 HA ILE 23 HA ILE 23 1.331 -13.785 1.381 165 HB ILE 23 HB ILE 23 0.152 -14.922 3.304 166 HG12 ILE 23 HG21 ILE 23 2.503 -13.831 4.873 167 HG13 ILE 23 HG11 ILE 23 0.835 -13.303 5.059 168 HG21 ILE 23 HG12 ILE 23 2.423 -16.248 3.826 169 HG22 ILE 23 HG22 ILE 23 2.938 -15.325 2.414 170 HG23 ILE 23 HG23 ILE 23 1.541 -16.397 2.305 171 HD11 ILE 23 HD11 ILE 23 2.190 -15.523 6.259 172 HD12 ILE 23 HD12 ILE 23 0.781 -16.080 5.358 173 HD13 ILE 23 HD13 ILE 23 0.596 -14.856 6.613 174 H ARG 24 H ARG 24 -0.268 -12.709 0.595 175 HA ARG 24 HA ARG 24 -2.113 -11.434 0.324 176 HB2 ARG 24 HB2 ARG 24 -2.861 -12.989 2.215 177 HB3 ARG 24 HB1 ARG 24 -2.577 -11.634 3.293 178 HG2 ARG 24 HG2 ARG 24 -4.908 -11.736 2.760 179 HG3 ARG 24 HG1 ARG 24 -4.213 -10.308 1.994 180 HD2 ARG 24 HD2 ARG 24 -4.445 -12.885 0.485 181 HD3 ARG 24 HD1 ARG 24 -5.838 -11.817 0.647 182 HE ARG 24 HE ARG 24 -3.703 -10.269 -0.247 183 HH11 ARG 24 HH11 ARG 24 -5.611 -12.966 -1.393 184 HH12 ARG 24 HH12 ARG 24 -5.487 -12.519 -3.062 185 HH21 ARG 24 HH21 ARG 24 -3.551 -9.651 -2.457 186 HH22 ARG 24 HH22 ARG 24 -4.306 -10.634 -3.668 187 H PHE 25 H PHE 25 0.548 -10.226 1.272 188 HA PHE 25 HA PHE 25 -0.599 -7.603 1.989 189 HB2 PHE 25 HB2 PHE 25 1.939 -8.867 2.986 190 HB3 PHE 25 HB1 PHE 25 1.744 -7.118 2.930 191 HD1 PHE 25 HD2 PHE 25 -0.386 -9.991 4.040 192 HD2 PHE 25 HD1 PHE 25 1.315 -6.204 4.960 193 HE1 PHE 25 HE2 PHE 25 -1.479 -10.040 6.242 194 HE2 PHE 25 HE1 PHE 25 0.228 -6.245 7.165 195 HZ PHE 25 HZ PHE 25 -1.173 -8.165 7.808 196 H LEU 26 H LEU 26 -0.052 -5.930 0.771 197 HA LEU 26 HA LEU 26 2.058 -6.326 -1.256 198 HB2 LEU 26 HB2 LEU 26 -0.704 -5.192 -1.605 199 HB3 LEU 26 HB1 LEU 26 0.596 -4.746 -2.689 200 HG LEU 26 HG LEU 26 0.871 -7.265 -3.109 201 HD11 LEU 26 HD11 LEU 26 -0.875 -8.722 -2.614 202 HD12 LEU 26 HD12 LEU 26 -1.986 -7.410 -2.220 203 HD13 LEU 26 HD13 LEU 26 -0.661 -7.803 -1.124 204 HD21 LEU 26 HD21 LEU 26 -1.751 -6.552 -4.190 205 HD22 LEU 26 HD22 LEU 26 -0.239 -6.926 -5.020 206 HD23 LEU 26 HD23 LEU 26 -0.522 -5.303 -4.388 207 H TYR 27 H TYR 27 3.322 -4.531 -1.740 208 HA TYR 27 HA TYR 27 3.345 -2.492 0.319 209 HB2 TYR 27 HB2 TYR 27 5.374 -3.672 -0.887 210 HB3 TYR 27 HB1 TYR 27 5.117 -2.425 -2.103 211 HD1 TYR 27 HD1 TYR 27 4.633 -1.963 1.535 212 HD2 TYR 27 HD2 TYR 27 7.152 -1.239 -1.815 213 HE1 TYR 27 HE1 TYR 27 5.971 -0.404 2.884 214 HE2 TYR 27 HE2 TYR 27 8.494 0.325 -0.476 215 HH TYR 27 HH TYR 27 8.128 0.606 2.938 216 H CYS 28 H CYS 28 2.396 -0.514 0.116 217 HA CYS 28 HA CYS 28 1.605 0.341 -2.595 218 HB2 CYS 28 HB2 CYS 28 -0.057 0.725 -0.101 219 HB3 CYS 28 HB1 CYS 28 -0.527 1.081 -1.758 220 H CYS 29 H CYS 29 1.603 2.554 -3.010 221 HA CYS 29 HA CYS 29 2.540 4.325 -0.863 222 HB2 CYS 29 HB2 CYS 29 3.734 4.283 -3.646 223 HB3 CYS 29 HB1 CYS 29 4.191 5.356 -2.330 224 HA PRO 30 HA PRO 30 -0.947 6.498 -2.688 225 HB2 PRO 30 HB2 PRO 30 -0.414 8.490 -0.605 226 HB3 PRO 30 HB1 PRO 30 -1.842 7.483 -0.852 227 HG2 PRO 30 HG2 PRO 30 -0.143 7.088 1.205 228 HG3 PRO 30 HG1 PRO 30 -1.012 5.756 0.421 229 HD2 PRO 30 HD2 PRO 30 1.830 6.633 0.069 230 HD3 PRO 30 HD1 PRO 30 1.162 4.989 0.175 231 H ARG 31 H ARG 31 -1.160 8.215 -4.060 232 HA ARG 31 HA ARG 31 1.074 9.345 -5.263 233 HB2 ARG 31 HB2 ARG 31 -0.922 9.359 -6.515 234 HB3 ARG 31 HB1 ARG 31 -1.828 10.142 -5.230 235 HG2 ARG 31 HG2 ARG 31 -1.447 11.673 -7.067 236 HG3 ARG 31 HG1 ARG 31 -0.597 12.219 -5.623 237 HD2 ARG 31 HD2 ARG 31 0.917 12.524 -7.396 238 HD3 ARG 31 HD1 ARG 31 1.453 11.064 -6.569 239 HE ARG 31 HE ARG 31 -0.273 10.317 -8.635 240 HH11 ARG 31 HH11 ARG 31 2.891 11.724 -8.182 241 HH12 ARG 31 HH12 ARG 31 3.510 11.167 -9.700 242 HH21 ARG 31 HH21 ARG 31 0.527 9.576 -10.656 243 HH22 ARG 31 HH22 ARG 31 2.155 9.944 -11.117 244 H ARG 32 H ARG 32 -1.160 10.888 -2.944 245 HA ARG 32 HA ARG 32 1.057 12.655 -2.204 246 HB2 ARG 32 HB2 ARG 32 -0.582 14.498 -1.852 247 HB3 ARG 32 HB1 ARG 32 -0.405 14.025 -3.534 248 HG2 ARG 32 HG2 ARG 32 -2.484 12.749 -3.393 249 HG3 ARG 32 HG1 ARG 32 -2.662 13.236 -1.706 250 HD2 ARG 32 HD2 ARG 32 -2.751 15.581 -2.395 251 HD3 ARG 32 HD1 ARG 32 -2.569 15.094 -4.080 252 HE ARG 32 HE ARG 32 -4.783 13.772 -2.945 253 HH11 ARG 32 HH11 ARG 32 -3.781 16.949 -4.003 254 HH12 ARG 32 HH12 ARG 32 -5.386 17.477 -4.384 255 HH21 ARG 32 HH21 ARG 32 -6.910 14.452 -3.447 256 HH22 ARG 32 HH22 ARG 32 -7.176 16.049 -4.065 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 3.501 13.387 -1.324 2 H2 GLY 1 HT2 GLY 1 5.080 13.833 -1.749 3 H3 GLY 1 HT3 GLY 1 4.037 14.973 -1.071 4 HA2 GLY 1 HA1 GLY 1 5.855 13.398 0.268 5 HA3 GLY 1 HA2 GLY 1 4.619 14.428 0.980 6 H LEU 2 H LEU 2 4.410 11.435 -0.899 7 HA LEU 2 HA LEU 2 2.534 10.374 1.018 8 HB2 LEU 2 HB2 LEU 2 2.094 8.631 -0.573 9 HB3 LEU 2 HB1 LEU 2 2.055 10.179 -1.376 10 HG LEU 2 HG LEU 2 3.043 8.680 -2.891 11 HD11 LEU 2 HD11 LEU 2 4.233 10.678 -3.047 12 HD12 LEU 2 HD12 LEU 2 5.452 9.404 -3.053 13 HD13 LEU 2 HD13 LEU 2 5.164 10.342 -1.588 14 HD21 LEU 2 HD21 LEU 2 4.575 7.019 -2.478 15 HD22 LEU 2 HD22 LEU 2 3.605 7.011 -1.005 16 HD23 LEU 2 HD23 LEU 2 5.185 7.795 -1.015 17 H LEU 3 H LEU 3 2.727 8.317 1.985 18 HA LEU 3 HA LEU 3 5.505 7.423 2.337 19 HB2 LEU 3 HB2 LEU 3 3.262 7.443 4.366 20 HB3 LEU 3 HB1 LEU 3 4.832 6.705 4.622 21 HG LEU 3 HG LEU 3 4.339 9.652 4.177 22 HD11 LEU 3 HD11 LEU 3 4.476 7.954 6.579 23 HD12 LEU 3 HD12 LEU 3 3.680 9.507 6.326 24 HD13 LEU 3 HD13 LEU 3 5.416 9.446 6.636 25 HD21 LEU 3 HD21 LEU 3 6.586 10.011 4.234 26 HD22 LEU 3 HD22 LEU 3 6.584 8.414 3.485 27 HD23 LEU 3 HD23 LEU 3 6.903 8.576 5.211 28 H CYS 4 H CYS 4 5.825 5.431 1.609 29 HA CYS 4 HA CYS 4 3.637 3.824 0.715 30 HB2 CYS 4 HB2 CYS 4 6.593 3.215 0.871 31 HB3 CYS 4 HB1 CYS 4 5.398 2.210 0.059 32 H TYR 5 H TYR 5 2.861 1.914 1.535 33 HA TYR 5 HA TYR 5 4.042 0.796 3.944 34 HB2 TYR 5 HB2 TYR 5 1.905 0.897 5.200 35 HB3 TYR 5 HB1 TYR 5 2.572 2.493 4.883 36 HD1 TYR 5 HD2 TYR 5 0.019 0.066 3.670 37 HD2 TYR 5 HD1 TYR 5 1.274 4.129 3.825 38 HE1 TYR 5 HE2 TYR 5 -2.122 0.759 2.686 39 HE2 TYR 5 HE1 TYR 5 -0.868 4.832 2.844 40 HH TYR 5 HH TYR 5 -2.875 2.875 1.239 41 H CYS 6 H CYS 6 3.021 -1.284 4.518 42 HA CYS 6 HA CYS 6 2.405 -2.742 2.122 43 HB2 CYS 6 HB2 CYS 6 2.658 -3.604 5.004 44 HB3 CYS 6 HB1 CYS 6 2.330 -4.713 3.676 45 H GLY 7 H GLY 7 0.449 -2.633 1.302 46 HA2 GLY 7 HA2 GLY 7 -1.902 -2.192 2.904 47 HA3 GLY 7 HA1 GLY 7 -1.847 -2.448 1.162 48 H LYS 8 H LYS 8 -3.462 -3.640 3.437 49 HA LYS 8 HA LYS 8 -2.707 -6.439 3.297 50 HB2 LYS 8 HB2 LYS 8 -3.476 -5.361 5.427 51 HB3 LYS 8 HB1 LYS 8 -5.065 -5.173 4.702 52 HG2 LYS 8 HG2 LYS 8 -5.235 -7.610 4.473 53 HG3 LYS 8 HG1 LYS 8 -3.656 -7.778 5.245 54 HD2 LYS 8 HD2 LYS 8 -4.567 -6.613 7.239 55 HD3 LYS 8 HD1 LYS 8 -6.153 -6.607 6.467 56 HE2 LYS 8 HE2 LYS 8 -6.018 -8.450 8.018 57 HE3 LYS 8 HE1 LYS 8 -6.082 -9.070 6.369 58 HZ1 LYS 8 HZ1 LYS 8 -3.406 -8.632 7.318 59 HZ2 LYS 8 HZ2 LYS 8 -4.077 -9.992 6.571 60 HZ3 LYS 8 HZ3 LYS 8 -4.255 -9.771 8.238 61 H GLY 9 H GLY 9 -3.365 -7.629 1.649 62 HA2 GLY 9 HA2 GLY 9 -4.826 -8.657 0.193 63 HA3 GLY 9 HA1 GLY 9 -6.123 -7.682 0.861 64 H HIS 10 H HIS 10 -5.153 -5.108 0.309 65 HA HIS 10 HA HIS 10 -4.298 -4.784 -2.370 66 HB2 HIS 10 HB2 HIS 10 -6.353 -4.094 -3.455 67 HB3 HIS 10 HB1 HIS 10 -6.562 -5.727 -2.835 68 HD1 HIS 10 HD1 HIS 10 -7.673 -5.575 -0.189 69 HD2 HIS 10 HD2 HIS 10 -8.545 -2.612 -2.968 70 HE1 HIS 10 HE1 HIS 10 -9.784 -4.485 0.631 71 HE2 HIS 10 HE2 HIS 10 -10.204 -2.599 -0.984 72 H CYS 11 H CYS 11 -4.244 -2.564 -3.019 73 HA CYS 11 HA CYS 11 -3.988 -0.752 -0.797 74 HB2 CYS 11 HB2 CYS 11 -3.795 -0.068 -3.735 75 HB3 CYS 11 HB1 CYS 11 -3.065 0.788 -2.382 76 H LYS 12 H LYS 12 -5.031 1.459 -0.918 77 HA LYS 12 HA LYS 12 -7.865 1.100 -1.310 78 HB2 LYS 12 HB2 LYS 12 -8.175 3.023 -0.071 79 HB3 LYS 12 HB1 LYS 12 -6.635 2.461 0.557 80 HG2 LYS 12 HG2 LYS 12 -6.059 4.144 -1.632 81 HG3 LYS 12 HG1 LYS 12 -7.286 4.958 -0.660 82 HD2 LYS 12 HD2 LYS 12 -4.618 3.913 0.280 83 HD3 LYS 12 HD1 LYS 12 -5.099 5.601 0.120 84 HE2 LYS 12 HE2 LYS 12 -6.696 5.376 1.894 85 HE3 LYS 12 HE1 LYS 12 -6.438 3.632 1.967 86 HZ1 LYS 12 HZ1 LYS 12 -4.079 4.141 2.560 87 HZ2 LYS 12 HZ2 LYS 12 -5.219 4.597 3.729 88 HZ3 LYS 12 HZ3 LYS 12 -4.527 5.767 2.725 89 H ARG 13 H ARG 13 -9.206 2.347 -2.646 90 HA ARG 13 HA ARG 13 -8.270 2.719 -5.280 91 HB2 ARG 13 HB2 ARG 13 -10.603 2.109 -4.672 92 HB3 ARG 13 HB1 ARG 13 -10.838 3.732 -4.041 93 HG2 ARG 13 HG2 ARG 13 -11.812 3.571 -6.230 94 HG3 ARG 13 HG1 ARG 13 -10.409 4.638 -6.297 95 HD2 ARG 13 HD2 ARG 13 -9.059 2.811 -7.198 96 HD3 ARG 13 HD1 ARG 13 -10.453 1.734 -7.115 97 HE ARG 13 HE ARG 13 -11.139 3.990 -8.638 98 HH11 ARG 13 HH11 ARG 13 -9.096 1.156 -8.826 99 HH12 ARG 13 HH12 ARG 13 -9.149 1.067 -10.554 100 HH21 ARG 13 HH21 ARG 13 -11.217 3.882 -10.926 101 HH22 ARG 13 HH22 ARG 13 -10.361 2.624 -11.754 102 H GLY 14 H GLY 14 -6.472 4.146 -4.738 103 HA2 GLY 14 HA2 GLY 14 -6.871 6.770 -5.583 104 HA3 GLY 14 HA1 GLY 14 -6.818 6.789 -3.823 105 H GLU 15 H GLU 15 -4.987 4.475 -3.730 106 HA GLU 15 HA GLU 15 -2.547 5.987 -4.304 107 HB2 GLU 15 HB2 GLU 15 -1.435 4.420 -2.788 108 HB3 GLU 15 HB1 GLU 15 -2.800 5.215 -2.023 109 HG2 GLU 15 HG2 GLU 15 -4.139 3.161 -2.525 110 HG3 GLU 15 HG1 GLU 15 -2.628 2.397 -3.022 111 H ARG 16 H ARG 16 -0.636 4.130 -4.570 112 HA ARG 16 HA ARG 16 -1.466 2.475 -6.863 113 HB2 ARG 16 HB2 ARG 16 0.417 3.172 -8.158 114 HB3 ARG 16 HB1 ARG 16 -0.363 4.636 -7.575 115 HG2 ARG 16 HG2 ARG 16 1.311 4.858 -5.828 116 HG3 ARG 16 HG1 ARG 16 2.076 3.360 -6.352 117 HD2 ARG 16 HD2 ARG 16 3.391 5.029 -7.305 118 HD3 ARG 16 HD1 ARG 16 2.344 4.508 -8.621 119 HE ARG 16 HE ARG 16 1.651 6.659 -8.760 120 HH11 ARG 16 HH11 ARG 16 2.470 6.068 -5.403 121 HH12 ARG 16 HH12 ARG 16 2.167 7.700 -4.901 122 HH21 ARG 16 HH21 ARG 16 1.302 8.833 -8.105 123 HH22 ARG 16 HH22 ARG 16 1.532 9.276 -6.446 124 H VAL 17 H VAL 17 -0.413 0.527 -7.092 125 HA VAL 17 HA VAL 17 0.929 -0.490 -4.756 126 HB VAL 17 HB VAL 17 -0.653 -1.925 -5.930 127 HG11 VAL 17 HG11 VAL 17 -0.301 -2.747 -8.156 128 HG12 VAL 17 HG21 VAL 17 1.239 -1.896 -8.275 129 HG13 VAL 17 3HG1 VAL 17 -0.268 -0.983 -8.194 130 HG21 VAL 17 HG12 VAL 17 2.180 -2.706 -5.646 131 HG22 VAL 17 HG22 VAL 17 1.151 -3.807 -6.561 132 HG23 VAL 17 HG23 VAL 17 0.731 -3.384 -4.901 133 H ARG 18 H ARG 18 3.093 -1.119 -4.601 134 HA ARG 18 HA ARG 18 4.827 -0.772 -6.909 135 HB2 ARG 18 HB2 ARG 18 4.558 1.485 -5.763 136 HB3 ARG 18 HB1 ARG 18 5.414 0.790 -4.394 137 HG2 ARG 18 HG2 ARG 18 7.377 0.432 -5.736 138 HG3 ARG 18 HG1 ARG 18 6.523 0.953 -7.189 139 HD2 ARG 18 HD2 ARG 18 7.927 2.746 -6.383 140 HD3 ARG 18 HD1 ARG 18 6.232 3.185 -6.188 141 HE ARG 18 HE ARG 18 6.570 3.318 -3.940 142 HH11 ARG 18 HH11 ARG 18 9.162 1.393 -5.301 143 HH12 ARG 18 HH12 ARG 18 10.035 1.282 -3.811 144 HH21 ARG 18 HH21 ARG 18 7.719 3.186 -1.980 145 HH22 ARG 18 HH22 ARG 18 9.211 2.305 -1.914 146 H GLY 19 H GLY 19 4.109 -3.074 -5.468 147 HA2 GLY 19 HA2 GLY 19 6.266 -4.574 -5.238 148 HA3 GLY 19 HA1 GLY 19 6.386 -3.671 -3.736 149 H THR 20 H THR 20 6.296 -5.966 -2.952 150 HA THR 20 HA THR 20 3.535 -6.594 -2.217 151 HB THR 20 HB THR 20 4.205 -9.083 -2.446 152 HG1 THR 20 HG1 THR 20 6.447 -8.514 -2.973 153 HG21 THR 20 HG12 THR 20 3.601 -9.071 -4.910 154 HG22 THR 20 HG22 THR 20 3.597 -7.310 -4.805 155 HG23 THR 20 HG23 THR 20 2.469 -8.256 -3.832 156 H CYS 21 H CYS 21 3.346 -7.488 -0.146 157 HA CYS 21 HA CYS 21 5.878 -7.657 1.358 158 HB2 CYS 21 HB2 CYS 21 3.186 -6.738 2.386 159 HB3 CYS 21 HB1 CYS 21 4.669 -6.843 3.329 160 H GLY 22 H GLY 22 4.697 -9.869 0.039 161 HA2 GLY 22 HA2 GLY 22 4.799 -12.109 0.867 162 HA3 GLY 22 HA1 GLY 22 4.145 -11.536 2.392 163 H ILE 23 H ILE 23 2.855 -13.559 1.856 164 HA ILE 23 HA ILE 23 0.913 -13.572 -0.153 165 HB ILE 23 HB ILE 23 -0.286 -15.242 1.307 166 HG12 ILE 23 HG21 ILE 23 2.140 -14.867 3.084 167 HG13 ILE 23 HG11 ILE 23 0.509 -14.338 3.484 168 HG21 ILE 23 HG12 ILE 23 2.540 -15.496 0.394 169 HG22 ILE 23 HG22 ILE 23 1.074 -16.227 -0.258 170 HG23 ILE 23 HG23 ILE 23 1.779 -16.845 1.235 171 HD11 ILE 23 HD11 ILE 23 -0.267 -16.555 3.664 172 HD12 ILE 23 HD12 ILE 23 1.273 -16.499 4.521 173 HD13 ILE 23 HD13 ILE 23 1.188 -17.204 2.906 174 H ARG 24 H ARG 24 -0.750 -12.354 -0.455 175 HA ARG 24 HA ARG 24 -2.620 -11.120 -0.168 176 HB2 ARG 24 HB2 ARG 24 -2.479 -12.106 2.683 177 HB3 ARG 24 HB1 ARG 24 -3.826 -11.202 2.003 178 HG2 ARG 24 HG2 ARG 24 -4.451 -12.961 0.600 179 HG3 ARG 24 HG1 ARG 24 -2.897 -13.776 0.782 180 HD2 ARG 24 HD2 ARG 24 -4.978 -13.426 2.938 181 HD3 ARG 24 HD1 ARG 24 -4.660 -14.911 2.041 182 HE ARG 24 HE ARG 24 -2.287 -13.984 3.273 183 HH11 ARG 24 HH11 ARG 24 -5.336 -15.528 4.024 184 HH12 ARG 24 HH12 ARG 24 -4.734 -16.338 5.430 185 HH21 ARG 24 HH21 ARG 24 -1.478 -15.048 5.133 186 HH22 ARG 24 HH22 ARG 24 -2.528 -16.064 6.064 187 H PHE 25 H PHE 25 0.152 -10.100 0.344 188 HA PHE 25 HA PHE 25 -0.710 -7.548 1.491 189 HB2 PHE 25 HB2 PHE 25 1.707 -9.112 2.384 190 HB3 PHE 25 HB1 PHE 25 1.615 -7.362 2.553 191 HD1 PHE 25 HD1 PHE 25 -0.020 -10.534 3.562 192 HD2 PHE 25 HD2 PHE 25 0.480 -6.381 4.338 193 HE1 PHE 25 HE1 PHE 25 -1.207 -10.795 5.700 194 HE2 PHE 25 HE2 PHE 25 -0.706 -6.634 6.478 195 HZ PHE 25 HZ PHE 25 -1.552 -8.844 7.161 196 H LEU 26 H LEU 26 0.188 -5.784 0.512 197 HA LEU 26 HA LEU 26 2.340 -6.208 -1.415 198 HB2 LEU 26 HB2 LEU 26 1.165 -5.187 -3.257 199 HB3 LEU 26 HB1 LEU 26 0.284 -6.592 -2.699 200 HG LEU 26 HG LEU 26 -0.471 -3.764 -1.952 201 HD11 LEU 26 HD11 LEU 26 -1.634 -3.518 -3.848 202 HD12 LEU 26 HD12 LEU 26 -2.165 -5.200 -3.853 203 HD13 LEU 26 HD13 LEU 26 -0.574 -4.775 -4.486 204 HD21 LEU 26 HD21 LEU 26 -1.229 -5.929 -0.653 205 HD22 LEU 26 HD22 LEU 26 -2.347 -6.075 -2.009 206 HD23 LEU 26 HD23 LEU 26 -2.367 -4.628 -1.001 207 H TYR 27 H TYR 27 3.386 -4.277 -2.079 208 HA TYR 27 HA TYR 27 3.383 -2.273 -0.008 209 HB2 TYR 27 HB2 TYR 27 5.361 -3.288 -1.464 210 HB3 TYR 27 HB1 TYR 27 4.938 -1.964 -2.541 211 HD1 TYR 27 HD2 TYR 27 4.829 -1.902 1.168 212 HD2 TYR 27 HD1 TYR 27 6.855 -0.625 -2.347 213 HE1 TYR 27 HE2 TYR 27 6.213 -0.387 2.523 214 HE2 TYR 27 HE1 TYR 27 8.246 0.888 -1.002 215 HH TYR 27 HH TYR 27 8.089 0.902 2.509 216 H CYS 28 H CYS 28 2.232 -0.439 -0.040 217 HA CYS 28 HA CYS 28 1.149 0.463 -2.627 218 HB2 CYS 28 HB2 CYS 28 -0.162 0.699 0.087 219 HB3 CYS 28 HB1 CYS 28 -0.855 1.188 -1.455 220 H CYS 29 H CYS 29 1.166 2.624 -3.070 221 HA CYS 29 HA CYS 29 2.287 4.452 -1.063 222 HB2 CYS 29 HB2 CYS 29 3.161 4.382 -3.960 223 HB3 CYS 29 HB1 CYS 29 3.783 5.437 -2.699 224 HA PRO 30 HA PRO 30 -1.432 6.584 -2.394 225 HB2 PRO 30 HB2 PRO 30 -0.316 8.756 -0.733 226 HB3 PRO 30 HB1 PRO 30 -1.874 7.933 -0.618 227 HG2 PRO 30 HG2 PRO 30 0.065 7.475 1.163 228 HG3 PRO 30 HG1 PRO 30 -1.003 6.173 0.607 229 HD2 PRO 30 HD2 PRO 30 1.811 6.794 -0.204 230 HD3 PRO 30 HD1 PRO 30 1.049 5.219 0.108 231 H ARG 31 H ARG 31 -2.043 8.591 -3.415 232 HA ARG 31 HA ARG 31 0.044 9.602 -5.197 233 HB2 ARG 31 HB2 ARG 31 -2.966 9.681 -5.280 234 HB3 ARG 31 HB1 ARG 31 -1.997 10.707 -6.322 235 HG2 ARG 31 HG2 ARG 31 -0.932 8.677 -7.257 236 HG3 ARG 31 HG1 ARG 31 -2.025 7.698 -6.274 237 HD2 ARG 31 HD2 ARG 31 -3.946 8.625 -7.401 238 HD3 ARG 31 HD1 ARG 31 -2.928 9.753 -8.291 239 HE ARG 31 HE ARG 31 -2.543 8.111 -9.814 240 HH11 ARG 31 HH11 ARG 31 -3.658 6.604 -6.864 241 HH12 ARG 31 HH12 ARG 31 -3.619 4.992 -7.514 242 HH21 ARG 31 HH21 ARG 31 -2.528 5.992 -10.697 243 HH22 ARG 31 HH22 ARG 31 -2.993 4.652 -9.704 244 H ARG 32 H ARG 32 0.669 10.670 -2.902 245 HA ARG 32 HA ARG 32 0.055 13.460 -3.214 246 HB2 ARG 32 HB2 ARG 32 -1.857 12.468 -1.839 247 HB3 ARG 32 HB1 ARG 32 -0.673 12.195 -0.570 248 HG2 ARG 32 HG2 ARG 32 -0.283 14.839 -1.186 249 HG3 ARG 32 HG1 ARG 32 -2.028 14.644 -1.372 250 HD2 ARG 32 HD2 ARG 32 -1.463 15.286 0.913 251 HD3 ARG 32 HD1 ARG 32 -2.155 13.663 0.867 252 HE ARG 32 HE ARG 32 0.651 13.477 0.687 253 HH11 ARG 32 HH11 ARG 32 -1.846 14.310 3.002 254 HH12 ARG 32 HH12 ARG 32 -0.914 13.837 4.381 255 HH21 ARG 32 HH21 ARG 32 1.894 12.846 2.504 256 HH22 ARG 32 HH22 ARG 32 1.223 13.002 4.097 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 5.182 13.519 1.567 2 H2 GLY 1 HT2 GLY 1 3.967 12.351 1.756 3 H3 GLY 1 HT3 GLY 1 4.866 12.418 0.321 4 HA2 GLY 1 HA1 GLY 1 6.812 12.135 2.156 5 HA3 GLY 1 HA2 GLY 1 5.501 11.184 2.843 6 H LEU 2 H LEU 2 4.274 10.223 0.572 7 HA LEU 2 HA LEU 2 4.345 8.555 -0.945 8 HB2 LEU 2 HB2 LEU 2 7.066 9.735 -1.387 9 HB3 LEU 2 HB1 LEU 2 6.591 8.272 -2.225 10 HG LEU 2 HG LEU 2 4.623 9.542 -3.149 11 HD11 LEU 2 HD11 LEU 2 4.138 11.556 -2.377 12 HD12 LEU 2 HD12 LEU 2 5.685 12.153 -2.978 13 HD13 LEU 2 HD13 LEU 2 5.559 11.523 -1.334 14 HD21 LEU 2 HD21 LEU 2 5.964 10.725 -4.833 15 HD22 LEU 2 HD22 LEU 2 6.594 9.114 -4.486 16 HD23 LEU 2 HD23 LEU 2 7.389 10.536 -3.812 17 H LEU 3 H LEU 3 4.746 7.867 1.708 18 HA LEU 3 HA LEU 3 6.827 5.825 1.715 19 HB2 LEU 3 HB2 LEU 3 5.018 6.959 3.823 20 HB3 LEU 3 HB1 LEU 3 5.779 5.402 4.074 21 HG LEU 3 HG LEU 3 7.122 7.010 5.178 22 HD11 LEU 3 HD11 LEU 3 9.225 7.015 3.655 23 HD12 LEU 3 HD12 LEU 3 8.243 5.988 2.611 24 HD13 LEU 3 HD13 LEU 3 8.585 5.490 4.268 25 HD21 LEU 3 HD21 LEU 3 6.757 9.120 4.486 26 HD22 LEU 3 HD22 LEU 3 6.564 8.649 2.797 27 HD23 LEU 3 HD23 LEU 3 8.178 8.812 3.488 28 H CYS 4 H CYS 4 6.356 3.922 0.861 29 HA CYS 4 HA CYS 4 3.690 3.072 0.350 30 HB2 CYS 4 HB2 CYS 4 6.382 1.812 0.022 31 HB3 CYS 4 HB1 CYS 4 4.934 0.840 -0.160 32 H TYR 5 H TYR 5 2.462 1.533 1.322 33 HA TYR 5 HA TYR 5 3.527 0.339 3.779 34 HB2 TYR 5 HB2 TYR 5 1.591 0.818 5.039 35 HB3 TYR 5 HB1 TYR 5 1.987 2.322 4.225 36 HD1 TYR 5 HD2 TYR 5 -0.350 -0.545 4.260 37 HD2 TYR 5 HD1 TYR 5 0.448 3.339 2.716 38 HE1 TYR 5 HE2 TYR 5 -2.664 -0.399 3.447 39 HE2 TYR 5 HE1 TYR 5 -1.867 3.497 1.909 40 HH TYR 5 HH TYR 5 -3.736 2.252 1.418 41 H CYS 6 H CYS 6 2.397 -1.616 4.429 42 HA CYS 6 HA CYS 6 1.876 -3.245 2.122 43 HB2 CYS 6 HB2 CYS 6 1.906 -3.948 5.061 44 HB3 CYS 6 HB1 CYS 6 1.849 -5.103 3.733 45 H GLY 7 H GLY 7 -0.051 -3.124 1.214 46 HA2 GLY 7 HA2 GLY 7 -2.472 -2.611 2.671 47 HA3 GLY 7 HA1 GLY 7 -2.341 -3.018 0.961 48 H LYS 8 H LYS 8 -3.973 -4.041 3.359 49 HA LYS 8 HA LYS 8 -3.185 -6.802 3.549 50 HB2 LYS 8 HB2 LYS 8 -5.674 -5.406 4.554 51 HB3 LYS 8 HB1 LYS 8 -5.170 -7.037 4.978 52 HG2 LYS 8 HG2 LYS 8 -3.178 -6.162 6.060 53 HG3 LYS 8 HG1 LYS 8 -3.633 -4.522 5.597 54 HD2 LYS 8 HD2 LYS 8 -5.674 -4.717 6.938 55 HD3 LYS 8 HD1 LYS 8 -5.208 -6.353 7.405 56 HE2 LYS 8 HE2 LYS 8 -3.196 -5.479 8.477 57 HE3 LYS 8 HE1 LYS 8 -3.639 -3.844 7.991 58 HZ1 LYS 8 HZ1 LYS 8 -5.840 -4.594 9.283 59 HZ2 LYS 8 HZ2 LYS 8 -4.545 -3.804 10.031 60 HZ3 LYS 8 HZ3 LYS 8 -4.686 -5.486 10.141 61 H GLY 9 H GLY 9 -3.645 -8.243 2.060 62 HA2 GLY 9 HA2 GLY 9 -4.895 -9.485 0.574 63 HA3 GLY 9 HA1 GLY 9 -6.276 -8.460 0.934 64 H HIS 10 H HIS 10 -5.349 -5.963 0.210 65 HA HIS 10 HA HIS 10 -4.019 -5.785 -2.243 66 HB2 HIS 10 HB2 HIS 10 -5.788 -5.577 -3.872 67 HB3 HIS 10 HB1 HIS 10 -5.968 -7.132 -3.073 68 HD1 HIS 10 HD1 HIS 10 -7.729 -6.798 -0.818 69 HD2 HIS 10 HD2 HIS 10 -8.187 -4.403 -4.183 70 HE1 HIS 10 HE1 HIS 10 -10.089 -5.936 -0.714 71 HE2 HIS 10 HE2 HIS 10 -10.279 -4.354 -2.664 72 H CYS 11 H CYS 11 -3.879 -3.668 -2.967 73 HA CYS 11 HA CYS 11 -4.692 -1.657 -1.067 74 HB2 CYS 11 HB2 CYS 11 -3.293 -1.289 -3.727 75 HB3 CYS 11 HB1 CYS 11 -3.319 -0.155 -2.376 76 H LYS 12 H LYS 12 -5.414 0.559 -2.435 77 HA LYS 12 HA LYS 12 -7.416 -0.137 -4.413 78 HB2 LYS 12 HB2 LYS 12 -9.217 1.072 -3.062 79 HB3 LYS 12 HB1 LYS 12 -8.791 -0.556 -2.567 80 HG2 LYS 12 HG2 LYS 12 -8.963 0.588 -0.564 81 HG3 LYS 12 HG1 LYS 12 -7.227 0.587 -0.876 82 HD2 LYS 12 HD2 LYS 12 -7.400 2.866 -1.776 83 HD3 LYS 12 HD1 LYS 12 -9.133 2.860 -1.442 84 HE2 LYS 12 HE2 LYS 12 -7.924 4.041 0.309 85 HE3 LYS 12 HE1 LYS 12 -8.667 2.575 0.946 86 HZ1 LYS 12 HZ1 LYS 12 -6.082 3.281 1.281 87 HZ2 LYS 12 HZ2 LYS 12 -5.973 2.202 -0.016 88 HZ3 LYS 12 HZ3 LYS 12 -6.680 1.708 1.442 89 H ARG 13 H ARG 13 -8.901 2.076 -4.507 90 HA ARG 13 HA ARG 13 -7.297 3.914 -5.904 91 HB2 ARG 13 HB2 ARG 13 -9.820 3.369 -6.130 92 HB3 ARG 13 HB1 ARG 13 -10.040 4.564 -4.862 93 HG2 ARG 13 HG2 ARG 13 -10.389 5.630 -6.965 94 HG3 ARG 13 HG1 ARG 13 -8.862 6.216 -6.303 95 HD2 ARG 13 HD2 ARG 13 -7.617 4.730 -7.742 96 HD3 ARG 13 HD1 ARG 13 -9.108 3.997 -8.331 97 HE ARG 13 HE ARG 13 -9.314 5.713 -9.808 98 HH11 ARG 13 HH11 ARG 13 -7.094 6.720 -7.298 99 HH12 ARG 13 HH12 ARG 13 -6.725 8.234 -8.051 100 HH21 ARG 13 HH21 ARG 13 -8.834 7.714 -10.807 101 HH22 ARG 13 HH22 ARG 13 -7.720 8.805 -10.052 102 H GLY 14 H GLY 14 -5.810 4.114 -3.996 103 HA2 GLY 14 HA2 GLY 14 -6.120 6.730 -2.851 104 HA3 GLY 14 HA1 GLY 14 -6.195 5.436 -1.657 105 H GLU 15 H GLU 15 -4.401 3.679 -3.111 106 HA GLU 15 HA GLU 15 -1.898 5.202 -2.854 107 HB2 GLU 15 HB2 GLU 15 -0.875 2.992 -2.055 108 HB3 GLU 15 HB1 GLU 15 -1.826 3.918 -0.914 109 HG2 GLU 15 HG2 GLU 15 -2.929 1.615 -2.484 110 HG3 GLU 15 HG1 GLU 15 -2.148 1.422 -0.917 111 H ARG 16 H ARG 16 -0.140 4.439 -4.105 112 HA ARG 16 HA ARG 16 -1.053 3.147 -6.574 113 HB2 ARG 16 HB2 ARG 16 1.523 4.643 -6.037 114 HB3 ARG 16 HB1 ARG 16 1.019 3.997 -7.591 115 HG2 ARG 16 HG2 ARG 16 0.359 6.139 -7.887 116 HG3 ARG 16 HG1 ARG 16 -1.099 5.531 -7.098 117 HD2 ARG 16 HD2 ARG 16 -0.511 7.584 -6.038 118 HD3 ARG 16 HD1 ARG 16 -0.126 6.278 -4.917 119 HE ARG 16 HE ARG 16 2.119 6.985 -6.520 120 HH11 ARG 16 HH11 ARG 16 0.287 7.920 -3.705 121 HH12 ARG 16 HH12 ARG 16 1.584 8.804 -2.977 122 HH21 ARG 16 HH21 ARG 16 3.852 8.164 -5.580 123 HH22 ARG 16 HH22 ARG 16 3.616 8.955 -4.058 124 H VAL 17 H VAL 17 -0.600 1.103 -6.941 125 HA VAL 17 HA VAL 17 0.964 -0.438 -5.147 126 HB VAL 17 HB VAL 17 -0.964 -1.406 -6.289 127 HG11 VAL 17 HG11 VAL 17 -0.043 -0.153 -8.542 128 HG12 VAL 17 HG21 VAL 17 -1.329 -1.357 -8.489 129 HG13 VAL 17 3HG1 VAL 17 0.322 -1.848 -8.867 130 HG21 VAL 17 HG12 VAL 17 0.267 -3.191 -5.666 131 HG22 VAL 17 HG22 VAL 17 1.720 -2.613 -6.483 132 HG23 VAL 17 HG23 VAL 17 0.442 -3.399 -7.409 133 H ARG 18 H ARG 18 3.004 -1.173 -5.283 134 HA ARG 18 HA ARG 18 4.553 -0.470 -7.685 135 HB2 ARG 18 HB2 ARG 18 5.359 -0.137 -4.795 136 HB3 ARG 18 HB1 ARG 18 6.500 -0.064 -6.131 137 HG2 ARG 18 HG2 ARG 18 5.355 1.849 -7.058 138 HG3 ARG 18 HG1 ARG 18 4.114 1.745 -5.807 139 HD2 ARG 18 HD2 ARG 18 5.688 3.481 -5.241 140 HD3 ARG 18 HD1 ARG 18 5.841 2.148 -4.099 141 HE ARG 18 HE ARG 18 7.691 1.830 -6.207 142 HH11 ARG 18 HH11 ARG 18 7.098 3.738 -3.334 143 HH12 ARG 18 HH12 ARG 18 8.768 4.127 -3.085 144 HH21 ARG 18 HH21 ARG 18 9.909 2.334 -5.882 145 HH22 ARG 18 HH22 ARG 18 10.373 3.322 -4.538 146 H GLY 19 H GLY 19 3.913 -2.715 -5.114 147 HA2 GLY 19 HA2 GLY 19 4.865 -4.917 -6.584 148 HA3 GLY 19 HA1 GLY 19 6.085 -4.451 -5.405 149 H THR 20 H THR 20 5.716 -6.565 -4.470 150 HA THR 20 HA THR 20 3.220 -6.747 -2.932 151 HB THR 20 HB THR 20 4.000 -9.171 -2.602 152 HG1 THR 20 HG1 THR 20 6.132 -8.904 -3.378 153 HG21 THR 20 HG12 THR 20 2.121 -8.565 -4.040 154 HG22 THR 20 HG22 THR 20 3.064 -9.867 -4.766 155 HG23 THR 20 HG23 THR 20 3.232 -8.217 -5.364 156 H CYS 21 H CYS 21 3.271 -6.989 -0.733 157 HA CYS 21 HA CYS 21 5.778 -6.275 0.566 158 HB2 CYS 21 HB2 CYS 21 3.851 -5.022 1.279 159 HB3 CYS 21 HB1 CYS 21 2.938 -6.496 1.579 160 H GLY 22 H GLY 22 3.373 -8.861 0.566 161 HA2 GLY 22 HA2 GLY 22 5.201 -10.916 0.994 162 HA3 GLY 22 HA1 GLY 22 4.570 -10.446 2.569 163 H ILE 23 H ILE 23 3.622 -12.551 2.734 164 HA ILE 23 HA ILE 23 1.775 -13.554 0.869 165 HB ILE 23 HB ILE 23 0.917 -14.945 2.791 166 HG12 ILE 23 HG21 ILE 23 3.209 -13.625 4.269 167 HG13 ILE 23 HG11 ILE 23 1.503 -13.337 4.593 168 HG21 ILE 23 HG12 ILE 23 2.410 -16.344 1.936 169 HG22 ILE 23 HG22 ILE 23 3.624 -15.683 3.033 170 HG23 ILE 23 HG23 ILE 23 3.424 -14.996 1.420 171 HD11 ILE 23 HD11 ILE 23 2.842 -16.018 4.840 172 HD12 ILE 23 HD12 ILE 23 1.204 -15.590 5.334 173 HD13 ILE 23 HD13 ILE 23 2.588 -14.897 6.177 174 H ARG 24 H ARG 24 -0.011 -12.656 0.270 175 HA ARG 24 HA ARG 24 -2.038 -11.662 0.230 176 HB2 ARG 24 HB2 ARG 24 -2.019 -12.180 3.208 177 HB3 ARG 24 HB1 ARG 24 -3.398 -11.548 2.325 178 HG2 ARG 24 HG2 ARG 24 -3.914 -13.781 2.480 179 HG3 ARG 24 HG1 ARG 24 -3.136 -13.709 0.899 180 HD2 ARG 24 HD2 ARG 24 -2.370 -15.619 2.270 181 HD3 ARG 24 HD1 ARG 24 -1.065 -14.520 1.829 182 HE ARG 24 HE ARG 24 -0.754 -14.044 4.041 183 HH11 ARG 24 HH11 ARG 24 -3.853 -15.635 3.682 184 HH12 ARG 24 HH12 ARG 24 -4.164 -15.698 5.384 185 HH21 ARG 24 HH21 ARG 24 -1.159 -14.120 6.287 186 HH22 ARG 24 HH22 ARG 24 -2.625 -14.834 6.871 187 H PHE 25 H PHE 25 0.468 -10.113 0.671 188 HA PHE 25 HA PHE 25 -0.868 -7.639 1.504 189 HB2 PHE 25 HB2 PHE 25 1.770 -8.630 2.553 190 HB3 PHE 25 HB1 PHE 25 1.390 -6.913 2.490 191 HD1 PHE 25 HD1 PHE 25 0.145 -10.142 3.857 192 HD2 PHE 25 HD2 PHE 25 0.221 -5.904 4.208 193 HE1 PHE 25 HE1 PHE 25 -1.017 -10.305 6.019 194 HE2 PHE 25 HE2 PHE 25 -0.938 -6.058 6.371 195 HZ PHE 25 HZ PHE 25 -1.560 -8.262 7.280 196 H LEU 26 H LEU 26 -0.409 -5.905 0.327 197 HA LEU 26 HA LEU 26 1.559 -6.227 -1.851 198 HB2 LEU 26 HB2 LEU 26 -1.112 -4.846 -1.801 199 HB3 LEU 26 HB1 LEU 26 0.101 -4.432 -2.996 200 HG LEU 26 HG LEU 26 0.091 -6.882 -3.670 201 HD11 LEU 26 HD11 LEU 26 -1.337 -8.374 -2.797 202 HD12 LEU 26 HD12 LEU 26 -2.635 -7.191 -2.632 203 HD13 LEU 26 HD13 LEU 26 -1.360 -7.276 -1.416 204 HD21 LEU 26 HD21 LEU 26 -2.432 -5.273 -4.030 205 HD22 LEU 26 HD22 LEU 26 -1.914 -6.621 -5.043 206 HD23 LEU 26 HD23 LEU 26 -0.963 -5.136 -4.996 207 H TYR 27 H TYR 27 2.842 -4.418 -2.409 208 HA TYR 27 HA TYR 27 3.105 -2.493 -0.206 209 HB2 TYR 27 HB2 TYR 27 5.033 -3.978 -1.296 210 HB3 TYR 27 HB1 TYR 27 5.079 -2.644 -2.443 211 HD1 TYR 27 HD1 TYR 27 4.429 -2.519 1.213 212 HD2 TYR 27 HD2 TYR 27 7.112 -1.582 -1.952 213 HE1 TYR 27 HE1 TYR 27 5.827 -1.251 2.786 214 HE2 TYR 27 HE2 TYR 27 8.520 -0.308 -0.388 215 HH TYR 27 HH TYR 27 7.489 0.371 2.876 216 H CYS 28 H CYS 28 2.025 -0.634 -0.505 217 HA CYS 28 HA CYS 28 2.116 0.596 -3.178 218 HB2 CYS 28 HB2 CYS 28 -0.383 0.418 -1.489 219 HB3 CYS 28 HB1 CYS 28 -0.242 1.154 -3.081 220 H CYS 29 H CYS 29 2.264 2.787 -3.216 221 HA CYS 29 HA CYS 29 2.700 4.104 -0.639 222 HB2 CYS 29 HB2 CYS 29 3.470 4.767 -3.468 223 HB3 CYS 29 HB1 CYS 29 3.511 5.999 -2.216 224 HA PRO 30 HA PRO 30 -1.407 5.833 -1.148 225 HB2 PRO 30 HB2 PRO 30 -1.524 7.028 1.269 226 HB3 PRO 30 HB1 PRO 30 -1.721 5.283 1.068 227 HG2 PRO 30 HG2 PRO 30 0.707 6.828 1.895 228 HG3 PRO 30 HG1 PRO 30 0.044 5.336 2.588 229 HD2 PRO 30 HD2 PRO 30 2.129 5.341 0.859 230 HD3 PRO 30 HD1 PRO 30 0.953 4.015 0.934 231 H ARG 31 H ARG 31 -2.359 7.987 -0.954 232 HA ARG 31 HA ARG 31 -0.727 9.986 -2.186 233 HB2 ARG 31 HB2 ARG 31 -3.552 10.113 -1.116 234 HB3 ARG 31 HB1 ARG 31 -2.787 11.376 -2.068 235 HG2 ARG 31 HG2 ARG 31 -2.674 9.963 -3.986 236 HG3 ARG 31 HG1 ARG 31 -3.195 8.562 -3.046 237 HD2 ARG 31 HD2 ARG 31 -5.025 9.493 -4.392 238 HD3 ARG 31 HD1 ARG 31 -5.361 9.589 -2.664 239 HE ARG 31 HE ARG 31 -4.160 11.986 -3.570 240 HH11 ARG 31 HH11 ARG 31 -7.193 10.241 -3.627 241 HH12 ARG 31 HH12 ARG 31 -8.160 11.664 -3.824 242 HH21 ARG 31 HH21 ARG 31 -5.431 13.875 -3.830 243 HH22 ARG 31 HH22 ARG 31 -7.154 13.738 -3.941 244 H ARG 32 H ARG 32 0.590 9.580 0.089 245 HA ARG 32 HA ARG 32 0.116 12.049 1.594 246 HB2 ARG 32 HB2 ARG 32 0.587 9.326 2.819 247 HB3 ARG 32 HB1 ARG 32 0.710 10.838 3.707 248 HG2 ARG 32 HG2 ARG 32 -1.666 11.293 3.153 249 HG3 ARG 32 HG1 ARG 32 -1.755 9.691 2.415 250 HD2 ARG 32 HD2 ARG 32 -2.609 9.668 4.706 251 HD3 ARG 32 HD1 ARG 32 -1.169 8.663 4.543 252 HE ARG 32 HE ARG 32 -0.389 11.233 5.350 253 HH11 ARG 32 HH11 ARG 32 -2.098 8.453 6.607 254 HH12 ARG 32 HH12 ARG 32 -1.663 8.762 8.253 255 HH21 ARG 32 HH21 ARG 32 0.195 11.653 7.522 256 HH22 ARG 32 HH22 ARG 32 -0.351 10.591 8.777 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 3.760 12.798 1.256 2 H2 GLY 1 HT2 GLY 1 3.627 13.997 2.439 3 H3 GLY 1 HT3 GLY 1 2.324 12.953 2.142 4 HA2 GLY 1 HA1 GLY 1 4.666 12.573 3.778 5 HA3 GLY 1 HA2 GLY 1 3.094 11.788 3.863 6 H LEU 2 H LEU 2 2.788 10.554 1.523 7 HA LEU 2 HA LEU 2 3.274 8.633 0.417 8 HB2 LEU 2 HB2 LEU 2 5.068 10.231 -0.457 9 HB3 LEU 2 HB1 LEU 2 6.176 9.415 0.629 10 HG LEU 2 HG LEU 2 5.710 7.278 -0.554 11 HD11 LEU 2 HD11 LEU 2 3.460 8.348 -1.443 12 HD12 LEU 2 HD12 LEU 2 4.309 7.085 -2.336 13 HD13 LEU 2 HD13 LEU 2 4.493 8.774 -2.809 14 HD21 LEU 2 HD21 LEU 2 7.681 8.218 -1.278 15 HD22 LEU 2 HD22 LEU 2 6.883 9.649 -1.932 16 HD23 LEU 2 HD23 LEU 2 6.774 8.111 -2.787 17 H LEU 3 H LEU 3 2.879 8.279 3.074 18 HA LEU 3 HA LEU 3 4.968 6.755 4.302 19 HB2 LEU 3 HB2 LEU 3 3.262 8.028 5.588 20 HB3 LEU 3 HB1 LEU 3 2.039 6.906 5.026 21 HG LEU 3 HG LEU 3 3.202 5.067 6.197 22 HD11 LEU 3 HD11 LEU 3 5.096 7.272 6.906 23 HD12 LEU 3 HD12 LEU 3 5.444 5.651 6.304 24 HD13 LEU 3 HD13 LEU 3 4.894 5.876 7.964 25 HD21 LEU 3 HD21 LEU 3 1.786 5.550 7.832 26 HD22 LEU 3 HD22 LEU 3 1.780 7.247 7.353 27 HD23 LEU 3 HD23 LEU 3 2.971 6.665 8.514 28 H CYS 4 H CYS 4 5.341 5.289 2.534 29 HA CYS 4 HA CYS 4 3.511 3.500 1.468 30 HB2 CYS 4 HB2 CYS 4 6.457 3.070 1.992 31 HB3 CYS 4 HB1 CYS 4 5.462 2.100 0.911 32 H TYR 5 H TYR 5 2.758 1.500 2.010 33 HA TYR 5 HA TYR 5 3.740 0.133 4.356 34 HB2 TYR 5 HB2 TYR 5 1.633 0.146 5.580 35 HB3 TYR 5 HB1 TYR 5 2.190 1.795 5.340 36 HD1 TYR 5 HD2 TYR 5 -0.243 -0.732 4.115 37 HD2 TYR 5 HD1 TYR 5 0.810 3.390 4.268 38 HE1 TYR 5 HE2 TYR 5 -2.447 -0.142 3.200 39 HE2 TYR 5 HE1 TYR 5 -1.397 3.991 3.361 40 HH TYR 5 HH TYR 5 -3.256 2.276 1.744 41 H CYS 6 H CYS 6 2.857 -2.011 4.542 42 HA CYS 6 HA CYS 6 2.234 -3.103 1.961 43 HB2 CYS 6 HB2 CYS 6 2.537 -4.396 4.677 44 HB3 CYS 6 HB1 CYS 6 2.245 -5.291 3.188 45 H GLY 7 H GLY 7 0.263 -2.809 1.215 46 HA2 GLY 7 HA2 GLY 7 -2.069 -2.603 2.839 47 HA3 GLY 7 HA1 GLY 7 -2.025 -2.720 1.084 48 H LYS 8 H LYS 8 -3.634 -4.068 3.268 49 HA LYS 8 HA LYS 8 -2.904 -6.847 3.027 50 HB2 LYS 8 HB2 LYS 8 -5.410 -5.635 4.214 51 HB3 LYS 8 HB1 LYS 8 -4.822 -7.275 4.452 52 HG2 LYS 8 HG2 LYS 8 -2.849 -6.398 5.606 53 HG3 LYS 8 HG1 LYS 8 -3.454 -4.756 5.378 54 HD2 LYS 8 HD2 LYS 8 -5.489 -5.396 6.658 55 HD3 LYS 8 HD1 LYS 8 -4.741 -6.961 6.984 56 HE2 LYS 8 HE2 LYS 8 -3.677 -4.260 7.806 57 HE3 LYS 8 HE1 LYS 8 -4.432 -5.450 8.865 58 HZ1 LYS 8 HZ1 LYS 8 -2.559 -6.648 8.982 59 HZ2 LYS 8 HZ2 LYS 8 -1.791 -5.232 8.468 60 HZ3 LYS 8 HZ3 LYS 8 -2.178 -6.436 7.347 61 H GLY 9 H GLY 9 -3.374 -7.981 1.287 62 HA2 GLY 9 HA2 GLY 9 -4.667 -8.938 -0.375 63 HA3 GLY 9 HA1 GLY 9 -6.013 -7.935 0.135 64 H HIS 10 H HIS 10 -4.825 -5.400 -0.148 65 HA HIS 10 HA HIS 10 -3.568 -4.961 -2.615 66 HB2 HIS 10 HB2 HIS 10 -5.458 -4.064 -3.947 67 HB3 HIS 10 HB1 HIS 10 -5.587 -5.794 -3.675 68 HD1 HIS 10 HD1 HIS 10 -8.126 -4.695 -4.477 69 HD2 HIS 10 HD2 HIS 10 -6.920 -4.445 -0.508 70 HE1 HIS 10 HE1 HIS 10 -10.237 -4.386 -3.148 71 HE2 HIS 10 HE2 HIS 10 -9.495 -4.417 -0.744 72 H CYS 11 H CYS 11 -3.697 -2.648 -3.288 73 HA CYS 11 HA CYS 11 -3.515 -0.966 -0.963 74 HB2 CYS 11 HB2 CYS 11 -3.349 -0.078 -3.847 75 HB3 CYS 11 HB1 CYS 11 -2.610 0.685 -2.436 76 H LYS 12 H LYS 12 -4.555 1.233 -1.002 77 HA LYS 12 HA LYS 12 -7.404 0.926 -1.298 78 HB2 LYS 12 HB2 LYS 12 -5.937 2.292 0.464 79 HB3 LYS 12 HB1 LYS 12 -6.143 3.570 -0.725 80 HG2 LYS 12 HG2 LYS 12 -7.895 3.929 0.738 81 HG3 LYS 12 HG1 LYS 12 -8.654 3.009 -0.565 82 HD2 LYS 12 HD2 LYS 12 -9.349 2.172 1.626 83 HD3 LYS 12 HD1 LYS 12 -8.424 0.954 0.745 84 HE2 LYS 12 HE2 LYS 12 -6.416 1.580 2.021 85 HE3 LYS 12 HE1 LYS 12 -7.361 2.770 2.913 86 HZ1 LYS 12 HZ1 LYS 12 -7.875 -0.155 2.912 87 HZ2 LYS 12 HZ2 LYS 12 -8.702 1.004 3.824 88 HZ3 LYS 12 HZ3 LYS 12 -7.070 0.689 4.138 89 H ARG 13 H ARG 13 -8.743 2.063 -2.715 90 HA ARG 13 HA ARG 13 -7.680 2.653 -5.279 91 HB2 ARG 13 HB2 ARG 13 -9.957 1.748 -4.933 92 HB3 ARG 13 HB1 ARG 13 -10.432 3.258 -4.171 93 HG2 ARG 13 HG2 ARG 13 -11.209 3.141 -6.474 94 HG3 ARG 13 HG1 ARG 13 -10.047 4.451 -6.260 95 HD2 ARG 13 HD2 ARG 13 -8.277 2.966 -7.154 96 HD3 ARG 13 HD1 ARG 13 -9.502 1.734 -7.453 97 HE ARG 13 HE ARG 13 -8.914 3.986 -9.077 98 HH11 ARG 13 HH11 ARG 13 -11.567 1.950 -8.035 99 HH12 ARG 13 HH12 ARG 13 -12.554 2.307 -9.410 100 HH21 ARG 13 HH21 ARG 13 -10.213 4.461 -10.898 101 HH22 ARG 13 HH22 ARG 13 -11.780 3.738 -11.047 102 H GLY 14 H GLY 14 -6.096 4.192 -4.405 103 HA2 GLY 14 HA2 GLY 14 -6.665 6.823 -5.148 104 HA3 GLY 14 HA1 GLY 14 -6.782 6.721 -3.395 105 H GLU 15 H GLU 15 -4.752 4.572 -3.263 106 HA GLU 15 HA GLU 15 -2.435 6.334 -3.379 107 HB2 GLU 15 HB2 GLU 15 -1.293 4.509 -2.112 108 HB3 GLU 15 HB1 GLU 15 -2.685 5.204 -1.298 109 HG2 GLU 15 HG2 GLU 15 -4.015 3.261 -2.058 110 HG3 GLU 15 HG1 GLU 15 -2.535 2.566 -2.727 111 H ARG 16 H ARG 16 -0.280 4.948 -3.859 112 HA ARG 16 HA ARG 16 -0.759 3.808 -6.532 113 HB2 ARG 16 HB2 ARG 16 0.548 5.882 -6.564 114 HB3 ARG 16 HB1 ARG 16 1.725 5.168 -5.469 115 HG2 ARG 16 HG2 ARG 16 2.303 3.505 -7.149 116 HG3 ARG 16 HG1 ARG 16 1.095 4.177 -8.244 117 HD2 ARG 16 HD2 ARG 16 2.319 6.292 -8.296 118 HD3 ARG 16 HD1 ARG 16 3.518 5.632 -7.185 119 HE ARG 16 HE ARG 16 3.382 3.902 -9.351 120 HH11 ARG 16 HH11 ARG 16 4.295 7.230 -8.763 121 HH12 ARG 16 HH12 ARG 16 5.436 7.283 -10.063 122 HH21 ARG 16 HH21 ARG 16 4.906 3.958 -11.055 123 HH22 ARG 16 HH22 ARG 16 5.787 5.415 -11.369 124 H VAL 17 H VAL 17 -0.071 1.847 -7.028 125 HA VAL 17 HA VAL 17 0.819 0.094 -4.951 126 HB VAL 17 HB VAL 17 0.788 -1.658 -6.668 127 HG11 VAL 17 HG11 VAL 17 -1.691 -0.935 -7.522 128 HG12 VAL 17 HG21 VAL 17 -1.485 0.102 -6.110 129 HG13 VAL 17 3HG1 VAL 17 -1.333 -1.647 -5.949 130 HG21 VAL 17 HG12 VAL 17 1.564 0.014 -8.490 131 HG22 VAL 17 HG22 VAL 17 -0.158 0.333 -8.695 132 HG23 VAL 17 HG23 VAL 17 0.471 -1.295 -8.940 133 H ARG 18 H ARG 18 2.769 -0.979 -4.789 134 HA ARG 18 HA ARG 18 4.975 0.128 -6.405 135 HB2 ARG 18 HB2 ARG 18 4.834 -0.543 -3.479 136 HB3 ARG 18 HB1 ARG 18 6.373 -0.486 -4.323 137 HG2 ARG 18 HG2 ARG 18 4.436 1.808 -4.267 138 HG3 ARG 18 HG1 ARG 18 5.733 1.595 -3.089 139 HD2 ARG 18 HD2 ARG 18 7.308 1.473 -5.090 140 HD3 ARG 18 HD1 ARG 18 5.958 2.076 -6.050 141 HE ARG 18 HE ARG 18 6.373 4.153 -5.218 142 HH11 ARG 18 HH11 ARG 18 7.836 1.825 -3.053 143 HH12 ARG 18 HH12 ARG 18 8.486 3.023 -1.987 144 HH21 ARG 18 HH21 ARG 18 7.247 5.748 -3.810 145 HH22 ARG 18 HH22 ARG 18 8.151 5.255 -2.420 146 H GLY 19 H GLY 19 3.749 -2.676 -4.642 147 HA2 GLY 19 HA2 GLY 19 4.408 -4.565 -6.552 148 HA3 GLY 19 HA1 GLY 19 5.793 -4.468 -5.472 149 H THR 20 H THR 20 5.590 -6.443 -4.473 150 HA THR 20 HA THR 20 3.170 -6.785 -2.833 151 HB THR 20 HB THR 20 3.605 -9.285 -3.055 152 HG1 THR 20 HG1 THR 20 5.685 -9.139 -4.004 153 HG21 THR 20 HG12 THR 20 1.684 -8.528 -4.141 154 HG22 THR 20 HG22 THR 20 2.588 -9.318 -5.433 155 HG23 THR 20 HG23 THR 20 2.602 -7.560 -5.296 156 H CYS 21 H CYS 21 3.474 -7.414 -0.747 157 HA CYS 21 HA CYS 21 6.229 -7.359 0.226 158 HB2 CYS 21 HB2 CYS 21 3.604 -7.277 1.731 159 HB3 CYS 21 HB1 CYS 21 5.195 -7.177 2.475 160 H GLY 22 H GLY 22 3.384 -9.430 0.126 161 HA2 GLY 22 HA2 GLY 22 4.790 -11.819 0.081 162 HA3 GLY 22 HA1 GLY 22 4.418 -11.492 1.768 163 H ILE 23 H ILE 23 3.086 -13.353 1.826 164 HA ILE 23 HA ILE 23 0.939 -13.815 0.086 165 HB ILE 23 HB ILE 23 -0.000 -15.217 1.973 166 HG12 ILE 23 HG21 ILE 23 2.609 -14.449 3.310 167 HG13 ILE 23 HG11 ILE 23 1.014 -13.913 3.828 168 HG21 ILE 23 HG12 ILE 23 2.799 -15.628 0.953 169 HG22 ILE 23 HG22 ILE 23 1.294 -16.279 0.303 170 HG23 ILE 23 HG23 ILE 23 1.911 -16.859 1.850 171 HD11 ILE 23 HD11 ILE 23 1.857 -15.741 5.201 172 HD12 ILE 23 HD12 ILE 23 1.970 -16.767 3.771 173 HD13 ILE 23 HD13 ILE 23 0.395 -16.207 4.332 174 H ARG 24 H ARG 24 -0.764 -12.634 -0.246 175 HA ARG 24 HA ARG 24 -2.573 -11.305 0.016 176 HB2 ARG 24 HB2 ARG 24 -3.135 -13.019 1.738 177 HB3 ARG 24 HB1 ARG 24 -2.362 -12.011 2.949 178 HG2 ARG 24 HG2 ARG 24 -4.010 -10.250 2.527 179 HG3 ARG 24 HG1 ARG 24 -4.792 -11.279 1.325 180 HD2 ARG 24 HD2 ARG 24 -5.874 -11.296 3.583 181 HD3 ARG 24 HD1 ARG 24 -5.397 -12.883 2.980 182 HE ARG 24 HE ARG 24 -3.287 -11.910 4.509 183 HH11 ARG 24 HH11 ARG 24 -6.623 -12.841 4.999 184 HH12 ARG 24 HH12 ARG 24 -6.370 -13.393 6.621 185 HH21 ARG 24 HH21 ARG 24 -2.941 -12.635 6.653 186 HH22 ARG 24 HH22 ARG 24 -4.267 -13.273 7.566 187 H PHE 25 H PHE 25 0.232 -10.243 0.372 188 HA PHE 25 HA PHE 25 -0.612 -7.659 1.464 189 HB2 PHE 25 HB2 PHE 25 1.832 -9.175 2.327 190 HB3 PHE 25 HB1 PHE 25 1.785 -7.413 2.370 191 HD1 PHE 25 HD2 PHE 25 -0.021 -10.425 3.611 192 HD2 PHE 25 HD1 PHE 25 0.888 -6.307 4.187 193 HE1 PHE 25 HE2 PHE 25 -1.123 -10.493 5.808 194 HE2 PHE 25 HE1 PHE 25 -0.207 -6.370 6.388 195 HZ PHE 25 HZ PHE 25 -1.218 -8.465 7.201 196 H LEU 26 H LEU 26 0.052 -5.954 0.379 197 HA LEU 26 HA LEU 26 2.030 -6.318 -1.775 198 HB2 LEU 26 HB2 LEU 26 -0.685 -5.030 -1.913 199 HB3 LEU 26 HB1 LEU 26 0.585 -4.584 -3.031 200 HG LEU 26 HG LEU 26 0.694 -7.094 -3.605 201 HD11 LEU 26 HD11 LEU 26 -1.152 -8.450 -3.153 202 HD12 LEU 26 HD12 LEU 26 -2.137 -7.089 -2.614 203 HD13 LEU 26 HD13 LEU 26 -0.804 -7.666 -1.613 204 HD21 LEU 26 HD21 LEU 26 -1.553 -6.722 -4.973 205 HD22 LEU 26 HD22 LEU 26 -0.061 -5.862 -5.353 206 HD23 LEU 26 HD23 LEU 26 -1.317 -5.071 -4.401 207 H TYR 27 H TYR 27 3.288 -4.492 -2.265 208 HA TYR 27 HA TYR 27 3.581 -2.643 -0.059 209 HB2 TYR 27 HB2 TYR 27 5.490 -3.706 -1.424 210 HB3 TYR 27 HB1 TYR 27 5.075 -2.547 -2.680 211 HD1 TYR 27 HD2 TYR 27 4.931 -1.791 0.931 212 HD2 TYR 27 HD1 TYR 27 7.146 -1.373 -2.677 213 HE1 TYR 27 HE2 TYR 27 6.359 -0.104 2.009 214 HE2 TYR 27 HE1 TYR 27 8.580 0.313 -1.610 215 HH TYR 27 HH TYR 27 8.495 0.926 1.781 216 H CYS 28 H CYS 28 2.543 -0.725 0.054 217 HA CYS 28 HA CYS 28 1.640 0.513 -2.462 218 HB2 CYS 28 HB2 CYS 28 0.008 0.422 0.079 219 HB3 CYS 28 HB1 CYS 28 -0.508 0.979 -1.510 220 H CYS 29 H CYS 29 1.293 2.816 -2.343 221 HA CYS 29 HA CYS 29 2.398 4.140 0.025 222 HB2 CYS 29 HB2 CYS 29 3.288 4.771 -2.797 223 HB3 CYS 29 HB1 CYS 29 3.804 5.603 -1.335 224 HA PRO 30 HA PRO 30 -1.439 6.316 -0.753 225 HB2 PRO 30 HB2 PRO 30 -1.047 8.110 1.314 226 HB3 PRO 30 HB1 PRO 30 -1.807 6.525 1.470 227 HG2 PRO 30 HG2 PRO 30 0.989 7.358 2.089 228 HG3 PRO 30 HG1 PRO 30 -0.062 6.217 2.948 229 HD2 PRO 30 HD2 PRO 30 1.929 5.393 1.331 230 HD3 PRO 30 HD1 PRO 30 0.407 4.490 1.487 231 H ARG 31 H ARG 31 -1.957 8.064 -1.889 232 HA ARG 31 HA ARG 31 0.155 9.752 -2.901 233 HB2 ARG 31 HB2 ARG 31 -2.796 9.612 -3.528 234 HB3 ARG 31 HB1 ARG 31 -1.672 10.701 -4.328 235 HG2 ARG 31 HG2 ARG 31 -1.418 7.703 -4.332 236 HG3 ARG 31 HG1 ARG 31 -2.188 8.642 -5.610 237 HD2 ARG 31 HD2 ARG 31 0.678 8.921 -4.712 238 HD3 ARG 31 HD1 ARG 31 0.139 8.051 -6.145 239 HE ARG 31 HE ARG 31 0.587 10.831 -5.931 240 HH11 ARG 31 HH11 ARG 31 -1.666 8.569 -7.384 241 HH12 ARG 31 HH12 ARG 31 -2.074 9.620 -8.698 242 HH21 ARG 31 HH21 ARG 31 0.059 12.216 -7.676 243 HH22 ARG 31 HH22 ARG 31 -1.086 11.696 -8.867 244 H ARG 32 H ARG 32 0.194 10.392 -0.400 245 HA ARG 32 HA ARG 32 -0.654 13.124 -0.339 246 HB2 ARG 32 HB2 ARG 32 -2.682 11.721 0.435 247 HB3 ARG 32 HB1 ARG 32 -1.734 11.396 1.880 248 HG2 ARG 32 HG2 ARG 32 -3.308 13.244 2.198 249 HG3 ARG 32 HG1 ARG 32 -1.630 13.763 2.385 250 HD2 ARG 32 HD2 ARG 32 -3.094 15.314 1.050 251 HD3 ARG 32 HD1 ARG 32 -1.617 14.790 0.242 252 HE ARG 32 HE ARG 32 -2.886 13.718 -1.330 253 HH11 ARG 32 HH11 ARG 32 -4.946 14.579 1.366 254 HH12 ARG 32 HH12 ARG 32 -6.397 14.015 0.607 255 HH21 ARG 32 HH21 ARG 32 -4.787 12.973 -2.336 256 HH22 ARG 32 HH22 ARG 32 -6.307 13.099 -1.514 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -0.889 7.384 5.235 2 H2 GLY 1 HT2 GLY 1 -1.918 8.200 6.302 3 H3 GLY 1 HT3 GLY 1 -0.292 7.969 6.706 4 HA2 GLY 1 HA1 GLY 1 -1.506 10.018 5.110 5 HA3 GLY 1 HA2 GLY 1 0.062 10.005 5.908 6 H LEU 2 H LEU 2 1.074 10.935 4.068 7 HA LEU 2 HA LEU 2 0.962 9.549 1.533 8 HB2 LEU 2 HB2 LEU 2 2.710 11.844 2.424 9 HB3 LEU 2 HB1 LEU 2 2.537 11.270 0.777 10 HG LEU 2 HG LEU 2 0.347 12.525 2.436 11 HD11 LEU 2 HD11 LEU 2 0.556 14.402 0.892 12 HD12 LEU 2 HD12 LEU 2 1.905 13.599 0.089 13 HD13 LEU 2 HD13 LEU 2 2.063 14.124 1.764 14 HD21 LEU 2 HD21 LEU 2 -0.503 12.605 -0.133 15 HD22 LEU 2 HD22 LEU 2 -0.956 11.353 1.024 16 HD23 LEU 2 HD23 LEU 2 0.357 11.065 -0.117 17 H LEU 3 H LEU 3 1.841 7.832 3.486 18 HA LEU 3 HA LEU 3 4.662 7.423 2.757 19 HB2 LEU 3 HB2 LEU 3 3.306 6.927 5.408 20 HB3 LEU 3 HB1 LEU 3 4.826 6.173 4.978 21 HG LEU 3 HG LEU 3 5.404 7.999 6.328 22 HD11 LEU 3 HD11 LEU 3 5.713 8.892 3.471 23 HD12 LEU 3 HD12 LEU 3 6.803 7.832 4.364 24 HD13 LEU 3 HD13 LEU 3 6.621 9.517 4.847 25 HD21 LEU 3 HD21 LEU 3 4.592 10.365 5.561 26 HD22 LEU 3 HD22 LEU 3 3.571 9.350 6.581 27 HD23 LEU 3 HD23 LEU 3 3.265 9.449 4.846 28 H CYS 4 H CYS 4 5.206 5.390 2.106 29 HA CYS 4 HA CYS 4 3.136 3.707 1.163 30 HB2 CYS 4 HB2 CYS 4 6.089 3.123 1.419 31 HB3 CYS 4 HB1 CYS 4 4.940 2.237 0.424 32 H TYR 5 H TYR 5 2.386 1.761 1.870 33 HA TYR 5 HA TYR 5 3.572 0.420 4.129 34 HB2 TYR 5 HB2 TYR 5 1.400 0.434 5.435 35 HB3 TYR 5 HB1 TYR 5 2.294 1.947 5.429 36 HD1 TYR 5 HD1 TYR 5 -0.360 0.306 3.339 37 HD2 TYR 5 HD2 TYR 5 1.026 3.844 5.251 38 HE1 TYR 5 HE1 TYR 5 -2.372 1.495 2.584 39 HE2 TYR 5 HE2 TYR 5 -0.983 5.042 4.500 40 HH TYR 5 HH TYR 5 -2.906 4.069 2.093 41 H CYS 6 H CYS 6 2.670 -1.703 4.452 42 HA CYS 6 HA CYS 6 1.777 -2.817 1.964 43 HB2 CYS 6 HB2 CYS 6 2.316 -4.124 4.634 44 HB3 CYS 6 HB1 CYS 6 1.964 -4.990 3.142 45 H GLY 7 H GLY 7 -0.233 -2.922 1.354 46 HA2 GLY 7 HA2 GLY 7 -2.426 -2.758 3.247 47 HA3 GLY 7 HA1 GLY 7 -2.549 -2.762 1.490 48 H LYS 8 H LYS 8 -4.004 -4.356 3.506 49 HA LYS 8 HA LYS 8 -3.022 -7.052 3.070 50 HB2 LYS 8 HB2 LYS 8 -5.429 -6.057 4.606 51 HB3 LYS 8 HB1 LYS 8 -4.882 -7.727 4.550 52 HG2 LYS 8 HG2 LYS 8 -2.780 -7.071 5.618 53 HG3 LYS 8 HG1 LYS 8 -3.342 -5.400 5.683 54 HD2 LYS 8 HD2 LYS 8 -4.689 -7.748 7.019 55 HD3 LYS 8 HD1 LYS 8 -3.644 -6.577 7.827 56 HE2 LYS 8 HE2 LYS 8 -5.200 -4.784 7.241 57 HE3 LYS 8 HE1 LYS 8 -6.239 -5.949 6.421 58 HZ1 LYS 8 HZ1 LYS 8 -5.868 -6.970 8.941 59 HZ2 LYS 8 HZ2 LYS 8 -7.259 -6.203 8.360 60 HZ3 LYS 8 HZ3 LYS 8 -6.086 -5.310 9.191 61 H GLY 9 H GLY 9 -3.641 -8.243 1.427 62 HA2 GLY 9 HA2 GLY 9 -5.018 -9.217 -0.142 63 HA3 GLY 9 HA1 GLY 9 -6.354 -8.279 0.501 64 H HIS 10 H HIS 10 -5.367 -5.669 0.094 65 HA HIS 10 HA HIS 10 -4.389 -5.243 -2.523 66 HB2 HIS 10 HB2 HIS 10 -6.381 -4.581 -3.719 67 HB3 HIS 10 HB1 HIS 10 -6.607 -6.225 -3.136 68 HD1 HIS 10 HD1 HIS 10 -7.871 -6.106 -0.547 69 HD2 HIS 10 HD2 HIS 10 -8.632 -3.151 -3.369 70 HE1 HIS 10 HE1 HIS 10 -10.050 -5.061 0.145 71 HE2 HIS 10 HE2 HIS 10 -10.410 -3.179 -1.491 72 H CYS 11 H CYS 11 -4.408 -3.002 -3.137 73 HA CYS 11 HA CYS 11 -4.273 -1.252 -0.861 74 HB2 CYS 11 HB2 CYS 11 -3.927 -0.592 -3.789 75 HB3 CYS 11 HB1 CYS 11 -3.445 0.406 -2.429 76 H LYS 12 H LYS 12 -5.285 0.903 -0.933 77 HA LYS 12 HA LYS 12 -8.115 0.646 -1.537 78 HB2 LYS 12 HB2 LYS 12 -6.587 2.879 -0.182 79 HB3 LYS 12 HB1 LYS 12 -8.337 2.760 -0.291 80 HG2 LYS 12 HG2 LYS 12 -8.315 0.745 1.056 81 HG3 LYS 12 HG1 LYS 12 -6.552 0.783 1.114 82 HD2 LYS 12 HD2 LYS 12 -8.388 2.906 2.224 83 HD3 LYS 12 HD1 LYS 12 -7.567 1.666 3.172 84 HE2 LYS 12 HE2 LYS 12 -6.231 3.805 1.515 85 HE3 LYS 12 HE1 LYS 12 -6.384 3.806 3.271 86 HZ1 LYS 12 HZ1 LYS 12 -4.684 2.125 1.550 87 HZ2 LYS 12 HZ2 LYS 12 -5.178 1.537 3.061 88 HZ3 LYS 12 HZ3 LYS 12 -4.282 2.971 2.965 89 H ARG 13 H ARG 13 -9.275 2.054 -2.860 90 HA ARG 13 HA ARG 13 -8.008 2.865 -5.239 91 HB2 ARG 13 HB2 ARG 13 -10.380 2.199 -5.112 92 HB3 ARG 13 HB1 ARG 13 -10.732 3.652 -4.189 93 HG2 ARG 13 HG2 ARG 13 -11.379 3.896 -6.525 94 HG3 ARG 13 HG1 ARG 13 -10.104 5.036 -6.087 95 HD2 ARG 13 HD2 ARG 13 -8.440 3.516 -7.086 96 HD3 ARG 13 HD1 ARG 13 -9.744 2.432 -7.568 97 HE ARG 13 HE ARG 13 -10.317 4.958 -8.597 98 HH11 ARG 13 HH11 ARG 13 -7.911 2.451 -8.993 99 HH12 ARG 13 HH12 ARG 13 -7.581 2.842 -10.647 100 HH21 ARG 13 HH21 ARG 13 -9.889 5.486 -10.788 101 HH22 ARG 13 HH22 ARG 13 -8.712 4.575 -11.673 102 H GLY 14 H GLY 14 -6.321 4.196 -4.511 103 HA2 GLY 14 HA2 GLY 14 -6.652 6.917 -4.832 104 HA3 GLY 14 HA1 GLY 14 -6.728 6.621 -3.097 105 H GLU 15 H GLU 15 -4.955 4.334 -3.190 106 HA GLU 15 HA GLU 15 -2.445 5.822 -3.406 107 HB2 GLU 15 HB2 GLU 15 -1.521 3.820 -2.141 108 HB3 GLU 15 HB1 GLU 15 -2.625 4.873 -1.280 109 HG2 GLU 15 HG2 GLU 15 -4.396 3.120 -2.172 110 HG3 GLU 15 HG1 GLU 15 -2.971 2.084 -2.193 111 H ARG 16 H ARG 16 -0.589 4.852 -4.335 112 HA ARG 16 HA ARG 16 -1.306 3.163 -6.629 113 HB2 ARG 16 HB2 ARG 16 0.764 3.977 -7.674 114 HB3 ARG 16 HB1 ARG 16 -0.310 5.293 -7.230 115 HG2 ARG 16 HG2 ARG 16 1.058 5.688 -5.215 116 HG3 ARG 16 HG1 ARG 16 2.163 4.420 -5.753 117 HD2 ARG 16 HD2 ARG 16 1.504 6.948 -7.261 118 HD3 ARG 16 HD1 ARG 16 2.984 6.647 -6.351 119 HE ARG 16 HE ARG 16 2.733 4.590 -8.199 120 HH11 ARG 16 HH11 ARG 16 3.132 8.063 -8.238 121 HH12 ARG 16 HH12 ARG 16 3.999 8.083 -9.736 122 HH21 ARG 16 HH21 ARG 16 3.876 4.601 -10.187 123 HH22 ARG 16 HH22 ARG 16 4.422 6.105 -10.852 124 H VAL 17 H VAL 17 -0.253 1.291 -7.096 125 HA VAL 17 HA VAL 17 0.854 -0.143 -4.915 126 HB VAL 17 HB VAL 17 1.189 -1.977 -6.520 127 HG11 VAL 17 HG11 VAL 17 -1.355 -1.685 -7.467 128 HG12 VAL 17 HG21 VAL 17 -1.344 -0.581 -6.091 129 HG13 VAL 17 3HG1 VAL 17 -0.929 -2.280 -5.861 130 HG21 VAL 17 HG12 VAL 17 1.314 -1.710 -8.734 131 HG22 VAL 17 HG22 VAL 17 1.441 0.019 -8.411 132 HG23 VAL 17 HG23 VAL 17 -0.129 -0.698 -8.774 133 H ARG 18 H ARG 18 2.910 -0.837 -4.524 134 HA ARG 18 HA ARG 18 5.043 0.509 -6.058 135 HB2 ARG 18 HB2 ARG 18 4.503 0.931 -3.470 136 HB3 ARG 18 HB1 ARG 18 5.515 -0.490 -3.287 137 HG2 ARG 18 HG2 ARG 18 6.397 1.962 -4.789 138 HG3 ARG 18 HG1 ARG 18 6.660 1.743 -3.062 139 HD2 ARG 18 HD2 ARG 18 8.652 0.988 -3.926 140 HD3 ARG 18 HD1 ARG 18 7.739 -0.514 -3.797 141 HE ARG 18 HE ARG 18 7.744 -0.691 -6.077 142 HH11 ARG 18 HH11 ARG 18 8.741 2.549 -5.194 143 HH12 ARG 18 HH12 ARG 18 9.128 3.013 -6.818 144 HH21 ARG 18 HH21 ARG 18 8.242 -0.088 -8.216 145 HH22 ARG 18 HH22 ARG 18 8.842 1.503 -8.547 146 H GLY 19 H GLY 19 4.245 -2.407 -4.192 147 HA2 GLY 19 HA2 GLY 19 5.257 -4.212 -6.085 148 HA3 GLY 19 HA1 GLY 19 6.507 -3.924 -4.879 149 H THR 20 H THR 20 5.939 -6.392 -4.724 150 HA THR 20 HA THR 20 3.576 -6.881 -3.101 151 HB THR 20 HB THR 20 4.471 -9.270 -3.142 152 HG1 THR 20 HG1 THR 20 6.632 -8.704 -3.741 153 HG21 THR 20 HG12 THR 20 2.863 -7.917 -4.868 154 HG22 THR 20 HG22 THR 20 3.183 -9.650 -4.958 155 HG23 THR 20 HG23 THR 20 4.100 -8.530 -5.967 156 H CYS 21 H CYS 21 3.579 -7.418 -0.953 157 HA CYS 21 HA CYS 21 6.113 -6.979 0.464 158 HB2 CYS 21 HB2 CYS 21 3.262 -7.012 1.469 159 HB3 CYS 21 HB1 CYS 21 4.670 -6.829 2.508 160 H GLY 22 H GLY 22 3.446 -9.278 0.191 161 HA2 GLY 22 HA2 GLY 22 4.997 -11.559 0.446 162 HA3 GLY 22 HA1 GLY 22 4.461 -11.142 2.069 163 H ILE 23 H ILE 23 3.261 -13.117 2.107 164 HA ILE 23 HA ILE 23 1.273 -13.756 0.232 165 HB ILE 23 HB ILE 23 0.279 -15.156 2.080 166 HG12 ILE 23 HG21 ILE 23 2.746 -14.237 3.580 167 HG13 ILE 23 HG11 ILE 23 1.096 -13.759 3.968 168 HG21 ILE 23 HG12 ILE 23 1.571 -16.543 0.894 169 HG22 ILE 23 HG22 ILE 23 2.707 -16.401 2.235 170 HG23 ILE 23 HG23 ILE 23 2.898 -15.385 0.807 171 HD11 ILE 23 HD11 ILE 23 1.452 -15.443 5.474 172 HD12 ILE 23 HD12 ILE 23 2.456 -16.375 4.363 173 HD13 ILE 23 HD13 ILE 23 0.706 -16.333 4.146 174 H ARG 24 H ARG 24 -0.377 -12.593 -0.272 175 HA ARG 24 HA ARG 24 -2.283 -11.373 -0.201 176 HB2 ARG 24 HB2 ARG 24 -2.299 -12.015 2.752 177 HB3 ARG 24 HB1 ARG 24 -3.650 -11.378 1.827 178 HG2 ARG 24 HG2 ARG 24 -3.863 -13.400 0.594 179 HG3 ARG 24 HG1 ARG 24 -2.349 -14.027 1.252 180 HD2 ARG 24 HD2 ARG 24 -4.890 -13.472 2.780 181 HD3 ARG 24 HD1 ARG 24 -4.222 -15.057 2.384 182 HE ARG 24 HE ARG 24 -2.294 -13.604 3.810 183 HH11 ARG 24 HH11 ARG 24 -5.412 -15.105 4.321 184 HH12 ARG 24 HH12 ARG 24 -5.139 -15.407 6.003 185 HH21 ARG 24 HH21 ARG 24 -1.921 -13.995 6.032 186 HH22 ARG 24 HH22 ARG 24 -3.144 -14.772 6.982 187 H PHE 25 H PHE 25 0.422 -10.165 0.399 188 HA PHE 25 HA PHE 25 -0.650 -7.659 1.507 189 HB2 PHE 25 HB2 PHE 25 1.931 -8.999 2.250 190 HB3 PHE 25 HB1 PHE 25 1.758 -7.249 2.340 191 HD1 PHE 25 HD2 PHE 25 -0.061 -10.326 3.442 192 HD2 PHE 25 HD1 PHE 25 1.132 -6.342 4.336 193 HE1 PHE 25 HE2 PHE 25 -1.066 -10.532 5.677 194 HE2 PHE 25 HE1 PHE 25 0.134 -6.541 6.575 195 HZ PHE 25 HZ PHE 25 -0.970 -8.638 7.248 196 H LEU 26 H LEU 26 -0.166 -5.869 0.466 197 HA LEU 26 HA LEU 26 1.803 -5.975 -1.726 198 HB2 LEU 26 HB2 LEU 26 -0.608 -6.273 -2.474 199 HB3 LEU 26 HB1 LEU 26 -0.896 -4.636 -1.921 200 HG LEU 26 HG LEU 26 0.857 -3.864 -3.546 201 HD11 LEU 26 HD11 LEU 26 0.785 -5.946 -5.400 202 HD12 LEU 26 HD12 LEU 26 1.164 -6.710 -3.856 203 HD13 LEU 26 HD13 LEU 26 2.175 -5.398 -4.463 204 HD21 LEU 26 HD21 LEU 26 -0.613 -4.134 -5.520 205 HD22 LEU 26 HD22 LEU 26 -1.480 -3.624 -4.071 206 HD23 LEU 26 HD23 LEU 26 -1.570 -5.302 -4.609 207 H TYR 27 H TYR 27 3.029 -4.132 -1.934 208 HA TYR 27 HA TYR 27 2.896 -2.222 0.216 209 HB2 TYR 27 HB2 TYR 27 4.977 -3.216 -1.097 210 HB3 TYR 27 HB1 TYR 27 4.675 -1.849 -2.163 211 HD1 TYR 27 HD1 TYR 27 4.221 -1.892 1.517 212 HD2 TYR 27 HD2 TYR 27 6.608 -0.562 -1.743 213 HE1 TYR 27 HE1 TYR 27 5.498 -0.454 3.047 214 HE2 TYR 27 HE2 TYR 27 7.890 0.881 -0.222 215 HH TYR 27 HH TYR 27 7.028 1.171 3.202 216 H CYS 28 H CYS 28 1.647 -0.480 0.183 217 HA CYS 28 HA CYS 28 0.849 0.634 -2.427 218 HB2 CYS 28 HB2 CYS 28 -0.684 0.954 0.147 219 HB3 CYS 28 HB1 CYS 28 -1.258 1.185 -1.500 220 H CYS 29 H CYS 29 1.049 2.811 -2.763 221 HA CYS 29 HA CYS 29 2.163 4.402 -0.544 222 HB2 CYS 29 HB2 CYS 29 2.908 4.555 -3.472 223 HB3 CYS 29 HB1 CYS 29 3.510 5.625 -2.212 224 HA PRO 30 HA PRO 30 -1.547 6.692 -1.777 225 HB2 PRO 30 HB2 PRO 30 -1.282 8.018 0.789 226 HB3 PRO 30 HB1 PRO 30 -2.558 6.935 0.233 227 HG2 PRO 30 HG2 PRO 30 -0.777 6.264 2.179 228 HG3 PRO 30 HG1 PRO 30 -1.546 5.078 1.109 229 HD2 PRO 30 HD2 PRO 30 1.200 6.262 0.968 230 HD3 PRO 30 HD1 PRO 30 0.675 4.591 0.670 231 H ARG 31 H ARG 31 -1.534 8.547 -2.880 232 HA ARG 31 HA ARG 31 -0.259 10.918 -2.025 233 HB2 ARG 31 HB2 ARG 31 1.676 9.396 -2.850 234 HB3 ARG 31 HB1 ARG 31 1.061 9.743 -4.459 235 HG2 ARG 31 HG2 ARG 31 1.502 12.062 -4.223 236 HG3 ARG 31 HG1 ARG 31 1.840 11.884 -2.499 237 HD2 ARG 31 HD2 ARG 31 3.470 10.831 -4.807 238 HD3 ARG 31 HD1 ARG 31 3.930 12.085 -3.656 239 HE ARG 31 HE ARG 31 4.191 9.276 -3.314 240 HH11 ARG 31 HH11 ARG 31 3.645 12.250 -1.550 241 HH12 ARG 31 HH12 ARG 31 4.116 11.581 -0.023 242 HH21 ARG 31 HH21 ARG 31 4.810 8.391 -1.293 243 HH22 ARG 31 HH22 ARG 31 4.759 9.383 0.130 244 H ARG 32 H ARG 32 -2.197 11.853 -2.520 245 HA ARG 32 HA ARG 32 -2.592 12.761 -5.164 246 HB2 ARG 32 HB2 ARG 32 -4.978 11.780 -5.322 247 HB3 ARG 32 HB1 ARG 32 -3.631 10.741 -5.754 248 HG2 ARG 32 HG2 ARG 32 -5.175 9.457 -4.479 249 HG3 ARG 32 HG1 ARG 32 -3.753 9.739 -3.476 250 HD2 ARG 32 HD2 ARG 32 -5.668 10.044 -2.102 251 HD3 ARG 32 HD1 ARG 32 -4.984 11.638 -2.413 252 HE ARG 32 HE ARG 32 -7.276 10.633 -3.960 253 HH11 ARG 32 HH11 ARG 32 -5.709 13.129 -2.078 254 HH12 ARG 32 HH12 ARG 32 -7.077 14.194 -2.115 255 HH21 ARG 32 HH21 ARG 32 -9.090 12.042 -4.018 256 HH22 ARG 32 HH22 ARG 32 -9.003 13.576 -3.222 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -2.847 10.920 2.624 2 H2 GLY 1 HT2 GLY 1 -2.997 9.690 3.783 3 H3 GLY 1 HT3 GLY 1 -2.301 9.358 2.275 4 HA2 GLY 1 HA1 GLY 1 -1.024 11.471 3.782 5 HA3 GLY 1 HA2 GLY 1 -0.883 9.860 4.475 6 H LEU 2 H LEU 2 0.932 11.833 2.919 7 HA LEU 2 HA LEU 2 1.693 10.357 0.582 8 HB2 LEU 2 HB2 LEU 2 2.815 12.753 2.000 9 HB3 LEU 2 HB1 LEU 2 3.703 11.982 0.704 10 HG LEU 2 HG LEU 2 2.533 13.875 -0.183 11 HD11 LEU 2 HD11 LEU 2 2.565 11.562 -1.380 12 HD12 LEU 2 HD12 LEU 2 1.620 12.895 -2.043 13 HD13 LEU 2 HD13 LEU 2 0.823 11.623 -1.117 14 HD21 LEU 2 HD21 LEU 2 0.182 12.718 1.252 15 HD22 LEU 2 HD22 LEU 2 -0.059 13.725 -0.175 16 HD23 LEU 2 HD23 LEU 2 0.780 14.378 1.232 17 H LEU 3 H LEU 3 1.880 8.358 2.125 18 HA LEU 3 HA LEU 3 4.718 7.905 2.445 19 HB2 LEU 3 HB2 LEU 3 4.707 7.218 4.714 20 HB3 LEU 3 HB1 LEU 3 3.971 8.805 4.662 21 HG LEU 3 HG LEU 3 2.302 6.299 4.741 22 HD11 LEU 3 HD11 LEU 3 2.282 6.310 7.080 23 HD12 LEU 3 HD12 LEU 3 3.054 7.894 7.168 24 HD13 LEU 3 HD13 LEU 3 3.984 6.486 6.654 25 HD21 LEU 3 HD21 LEU 3 0.759 7.973 5.917 26 HD22 LEU 3 HD22 LEU 3 0.971 8.137 4.174 27 HD23 LEU 3 HD23 LEU 3 1.832 9.216 5.273 28 H CYS 4 H CYS 4 5.262 5.879 1.960 29 HA CYS 4 HA CYS 4 3.246 4.109 0.961 30 HB2 CYS 4 HB2 CYS 4 6.214 3.658 1.329 31 HB3 CYS 4 HB1 CYS 4 5.128 2.642 0.389 32 H TYR 5 H TYR 5 2.562 2.147 1.794 33 HA TYR 5 HA TYR 5 3.785 1.096 4.180 34 HB2 TYR 5 HB2 TYR 5 1.517 1.041 5.389 35 HB3 TYR 5 HB1 TYR 5 2.431 2.539 5.407 36 HD1 TYR 5 HD1 TYR 5 -0.028 1.006 3.004 37 HD2 TYR 5 HD2 TYR 5 1.067 4.358 5.386 38 HE1 TYR 5 HE1 TYR 5 -2.011 2.223 2.200 39 HE2 TYR 5 HE2 TYR 5 -0.907 5.582 4.588 40 HH TYR 5 HH TYR 5 -3.044 4.221 2.114 41 H CYS 6 H CYS 6 2.652 -0.931 4.899 42 HA CYS 6 HA CYS 6 2.253 -2.549 2.566 43 HB2 CYS 6 HB2 CYS 6 3.571 -3.287 4.536 44 HB3 CYS 6 HB1 CYS 6 2.092 -3.310 5.487 45 H GLY 7 H GLY 7 0.390 -2.872 1.604 46 HA2 GLY 7 HA2 GLY 7 -2.113 -2.375 3.034 47 HA3 GLY 7 HA1 GLY 7 -1.921 -2.521 1.291 48 H LYS 8 H LYS 8 -3.606 -3.922 3.437 49 HA LYS 8 HA LYS 8 -2.751 -6.680 3.092 50 HB2 LYS 8 HB2 LYS 8 -5.118 -5.545 4.594 51 HB3 LYS 8 HB1 LYS 8 -4.595 -7.223 4.621 52 HG2 LYS 8 HG2 LYS 8 -2.488 -6.553 5.658 53 HG3 LYS 8 HG1 LYS 8 -3.013 -4.869 5.632 54 HD2 LYS 8 HD2 LYS 8 -3.497 -5.558 7.807 55 HD3 LYS 8 HD1 LYS 8 -5.045 -5.697 6.977 56 HE2 LYS 8 HE2 LYS 8 -3.132 -7.990 7.402 57 HE3 LYS 8 HE1 LYS 8 -4.489 -7.625 8.463 58 HZ1 LYS 8 HZ1 LYS 8 -5.395 -7.757 5.799 59 HZ2 LYS 8 HZ2 LYS 8 -5.823 -8.735 7.110 60 HZ3 LYS 8 HZ3 LYS 8 -4.501 -9.154 6.142 61 H GLY 9 H GLY 9 -3.392 -7.815 1.389 62 HA2 GLY 9 HA2 GLY 9 -4.835 -8.767 -0.136 63 HA3 GLY 9 HA1 GLY 9 -6.140 -7.818 0.555 64 H HIS 10 H HIS 10 -5.189 -5.231 0.149 65 HA HIS 10 HA HIS 10 -4.264 -4.776 -2.487 66 HB2 HIS 10 HB2 HIS 10 -6.301 -4.016 -3.577 67 HB3 HIS 10 HB1 HIS 10 -6.499 -5.690 -3.078 68 HD1 HIS 10 HD1 HIS 10 -7.487 -2.198 -1.919 69 HD2 HIS 10 HD2 HIS 10 -8.723 -6.160 -1.587 70 HE1 HIS 10 HE1 HIS 10 -9.684 -2.124 -0.696 71 HE2 HIS 10 HE2 HIS 10 -10.324 -4.538 -0.365 72 H CYS 11 H CYS 11 -4.274 -2.510 -3.044 73 HA CYS 11 HA CYS 11 -3.975 -0.845 -0.724 74 HB2 CYS 11 HB2 CYS 11 -3.829 -0.047 -3.637 75 HB3 CYS 11 HB1 CYS 11 -3.166 0.832 -2.266 76 H LYS 12 H LYS 12 -4.946 1.349 -0.690 77 HA LYS 12 HA LYS 12 -7.820 1.154 -1.140 78 HB2 LYS 12 HB2 LYS 12 -7.020 1.951 1.035 79 HB3 LYS 12 HB1 LYS 12 -6.137 3.254 0.254 80 HG2 LYS 12 HG2 LYS 12 -8.190 4.302 -0.431 81 HG3 LYS 12 HG1 LYS 12 -9.130 2.942 0.181 82 HD2 LYS 12 HD2 LYS 12 -9.226 4.798 1.743 83 HD3 LYS 12 HD1 LYS 12 -8.353 3.446 2.460 84 HE2 LYS 12 HE2 LYS 12 -6.818 5.575 1.040 85 HE3 LYS 12 HE1 LYS 12 -7.447 5.908 2.651 86 HZ1 LYS 12 HZ1 LYS 12 -5.339 4.056 1.814 87 HZ2 LYS 12 HZ2 LYS 12 -6.311 3.588 3.119 88 HZ3 LYS 12 HZ3 LYS 12 -5.439 5.032 3.194 89 H ARG 13 H ARG 13 -8.997 2.800 -2.304 90 HA ARG 13 HA ARG 13 -8.020 3.422 -4.808 91 HB2 ARG 13 HB2 ARG 13 -10.405 3.460 -4.244 92 HB3 ARG 13 HB1 ARG 13 -10.158 4.884 -3.243 93 HG2 ARG 13 HG2 ARG 13 -9.457 6.132 -5.258 94 HG3 ARG 13 HG1 ARG 13 -9.827 4.708 -6.231 95 HD2 ARG 13 HD2 ARG 13 -11.797 6.191 -4.493 96 HD3 ARG 13 HD1 ARG 13 -11.652 6.370 -6.239 97 HE ARG 13 HE ARG 13 -12.999 4.290 -4.828 98 HH11 ARG 13 HH11 ARG 13 -11.268 5.010 -7.788 99 HH12 ARG 13 HH12 ARG 13 -11.975 3.701 -8.675 100 HH21 ARG 13 HH21 ARG 13 -13.944 2.561 -6.001 101 HH22 ARG 13 HH22 ARG 13 -13.502 2.306 -7.656 102 H GLY 14 H GLY 14 -6.411 4.702 -5.400 103 HA2 GLY 14 HA2 GLY 14 -5.736 7.075 -5.600 104 HA3 GLY 14 HA1 GLY 14 -5.948 7.179 -3.858 105 H GLU 15 H GLU 15 -4.800 4.453 -3.555 106 HA GLU 15 HA GLU 15 -2.026 5.272 -3.374 107 HB2 GLU 15 HB2 GLU 15 -3.295 2.643 -2.599 108 HB3 GLU 15 HB1 GLU 15 -1.728 3.252 -2.084 109 HG2 GLU 15 HG2 GLU 15 -2.742 4.963 -0.781 110 HG3 GLU 15 HG1 GLU 15 -4.335 4.598 -1.445 111 H ARG 16 H ARG 16 -0.362 4.500 -4.593 112 HA ARG 16 HA ARG 16 -1.102 2.741 -6.824 113 HB2 ARG 16 HB2 ARG 16 -0.052 4.876 -7.445 114 HB3 ARG 16 HB1 ARG 16 1.348 4.481 -6.455 115 HG2 ARG 16 HG2 ARG 16 1.772 2.521 -7.894 116 HG3 ARG 16 HG1 ARG 16 0.422 3.015 -8.917 117 HD2 ARG 16 HD2 ARG 16 1.554 5.115 -9.415 118 HD3 ARG 16 HD1 ARG 16 2.890 4.657 -8.359 119 HE ARG 16 HE ARG 16 3.738 3.400 -10.055 120 HH11 ARG 16 HH11 ARG 16 0.353 3.988 -10.749 121 HH12 ARG 16 HH12 ARG 16 0.395 3.193 -12.286 122 HH21 ARG 16 HH21 ARG 16 3.797 2.346 -12.086 123 HH22 ARG 16 HH22 ARG 16 2.360 2.256 -13.049 124 H VAL 17 H VAL 17 -0.315 0.719 -6.961 125 HA VAL 17 HA VAL 17 0.990 -0.445 -4.745 126 HB VAL 17 HB VAL 17 -0.477 -1.793 -6.114 127 HG11 VAL 17 HG11 VAL 17 0.893 -0.595 -8.282 128 HG12 VAL 17 HG21 VAL 17 -0.511 -1.660 -8.324 129 HG13 VAL 17 3HG1 VAL 17 1.114 -2.340 -8.405 130 HG21 VAL 17 HG12 VAL 17 2.146 -2.554 -5.364 131 HG22 VAL 17 HG22 VAL 17 1.767 -3.360 -6.886 132 HG23 VAL 17 HG23 VAL 17 0.704 -3.561 -5.493 133 H ARG 18 H ARG 18 3.064 -0.672 -4.275 134 HA ARG 18 HA ARG 18 5.042 0.334 -6.187 135 HB2 ARG 18 HB2 ARG 18 4.777 1.072 -3.676 136 HB3 ARG 18 HB1 ARG 18 5.670 -0.404 -3.346 137 HG2 ARG 18 HG2 ARG 18 6.656 1.773 -5.177 138 HG3 ARG 18 HG1 ARG 18 7.058 1.667 -3.463 139 HD2 ARG 18 HD2 ARG 18 7.638 -0.471 -5.509 140 HD3 ARG 18 HD1 ARG 18 8.803 0.727 -4.947 141 HE ARG 18 HE ARG 18 7.963 -0.438 -2.655 142 HH11 ARG 18 HH11 ARG 18 9.133 -1.747 -5.674 143 HH12 ARG 18 HH12 ARG 18 9.948 -3.085 -4.935 144 HH21 ARG 18 HH21 ARG 18 9.033 -2.210 -1.659 145 HH22 ARG 18 HH22 ARG 18 9.887 -3.353 -2.640 146 H GLY 19 H GLY 19 4.194 -2.491 -4.275 147 HA2 GLY 19 HA2 GLY 19 5.200 -4.366 -6.046 148 HA3 GLY 19 HA1 GLY 19 6.497 -4.027 -4.908 149 H THR 20 H THR 20 6.335 -6.228 -4.208 150 HA THR 20 HA THR 20 3.900 -7.036 -2.859 151 HB THR 20 HB THR 20 5.400 -9.105 -2.356 152 HG1 THR 20 HG1 THR 20 7.308 -9.127 -3.298 153 HG21 THR 20 HG12 THR 20 4.844 -10.068 -4.509 154 HG22 THR 20 HG22 THR 20 4.649 -8.461 -5.211 155 HG23 THR 20 HG23 THR 20 3.524 -9.027 -3.975 156 H CYS 21 H CYS 21 3.797 -7.613 -0.662 157 HA CYS 21 HA CYS 21 5.902 -6.420 1.022 158 HB2 CYS 21 HB2 CYS 21 3.929 -5.048 1.169 159 HB3 CYS 21 HB1 CYS 21 2.905 -6.455 1.421 160 H GLY 22 H GLY 22 3.446 -8.955 0.741 161 HA2 GLY 22 HA2 GLY 22 5.083 -10.963 1.808 162 HA3 GLY 22 HA1 GLY 22 4.055 -10.353 3.100 163 H ILE 23 H ILE 23 3.055 -12.462 3.182 164 HA ILE 23 HA ILE 23 1.729 -13.572 0.945 165 HB ILE 23 HB ILE 23 0.412 -14.876 2.657 166 HG12 ILE 23 HG21 ILE 23 2.311 -13.508 4.583 167 HG13 ILE 23 HG11 ILE 23 0.578 -13.217 4.494 168 HG21 ILE 23 HG12 ILE 23 3.267 -15.254 3.333 169 HG22 ILE 23 HG22 ILE 23 2.837 -15.295 1.622 170 HG23 ILE 23 HG23 ILE 23 2.074 -16.414 2.751 171 HD11 ILE 23 HD11 ILE 23 0.153 -15.527 5.143 172 HD12 ILE 23 HD12 ILE 23 1.141 -14.689 6.341 173 HD13 ILE 23 HD13 ILE 23 1.890 -15.826 5.220 174 H ARG 24 H ARG 24 0.184 -12.626 -0.103 175 HA ARG 24 HA ARG 24 -1.713 -11.512 -0.659 176 HB2 ARG 24 HB2 ARG 24 -2.483 -12.194 2.185 177 HB3 ARG 24 HB1 ARG 24 -3.575 -11.446 1.030 178 HG2 ARG 24 HG2 ARG 24 -2.277 -14.146 0.713 179 HG3 ARG 24 HG1 ARG 24 -3.941 -13.855 1.223 180 HD2 ARG 24 HD2 ARG 24 -4.331 -12.684 -0.938 181 HD3 ARG 24 HD1 ARG 24 -2.708 -13.155 -1.439 182 HE ARG 24 HE ARG 24 -5.044 -14.764 -1.499 183 HH11 ARG 24 HH11 ARG 24 -1.588 -14.952 -0.962 184 HH12 ARG 24 HH12 ARG 24 -1.480 -16.626 -1.391 185 HH21 ARG 24 HH21 ARG 24 -4.906 -16.974 -2.068 186 HH22 ARG 24 HH22 ARG 24 -3.372 -17.778 -2.023 187 H PHE 25 H PHE 25 0.640 -10.205 0.652 188 HA PHE 25 HA PHE 25 -0.680 -7.678 1.416 189 HB2 PHE 25 HB2 PHE 25 1.829 -8.951 2.508 190 HB3 PHE 25 HB1 PHE 25 1.536 -7.224 2.643 191 HD1 PHE 25 HD1 PHE 25 -1.340 -9.439 2.900 192 HD2 PHE 25 HD2 PHE 25 1.740 -7.469 5.071 193 HE1 PHE 25 HE1 PHE 25 -2.572 -9.827 4.991 194 HE2 PHE 25 HE2 PHE 25 0.512 -7.851 7.166 195 HZ PHE 25 HZ PHE 25 -1.646 -9.033 7.129 196 H LEU 26 H LEU 26 0.112 -5.823 0.480 197 HA LEU 26 HA LEU 26 2.415 -6.073 -1.311 198 HB2 LEU 26 HB2 LEU 26 1.299 -5.056 -3.172 199 HB3 LEU 26 HB1 LEU 26 0.395 -6.471 -2.679 200 HG LEU 26 HG LEU 26 -0.392 -3.664 -1.895 201 HD11 LEU 26 HD11 LEU 26 -0.326 -4.340 -4.438 202 HD12 LEU 26 HD12 LEU 26 -1.694 -3.453 -3.766 203 HD13 LEU 26 HD13 LEU 26 -1.810 -5.195 -4.017 204 HD21 LEU 26 HD21 LEU 26 -1.343 -5.367 -0.469 205 HD22 LEU 26 HD22 LEU 26 -1.865 -6.297 -1.874 206 HD23 LEU 26 HD23 LEU 26 -2.596 -4.728 -1.534 207 H TYR 27 H TYR 27 3.484 -4.122 -1.751 208 HA TYR 27 HA TYR 27 3.216 -2.167 0.353 209 HB2 TYR 27 HB2 TYR 27 5.381 -3.091 -0.833 210 HB3 TYR 27 HB1 TYR 27 5.038 -1.824 -2.004 211 HD1 TYR 27 HD2 TYR 27 4.614 -1.767 1.696 212 HD2 TYR 27 HD1 TYR 27 6.739 -0.265 -1.669 213 HE1 TYR 27 HE2 TYR 27 5.760 -0.150 3.150 214 HE2 TYR 27 HE1 TYR 27 7.892 1.355 -0.225 215 HH TYR 27 HH TYR 27 6.975 1.835 3.105 216 H CYS 28 H CYS 28 2.074 -0.312 0.227 217 HA CYS 28 HA CYS 28 1.179 0.535 -2.451 218 HB2 CYS 28 HB2 CYS 28 -0.257 0.914 0.184 219 HB3 CYS 28 HB1 CYS 28 -0.867 1.334 -1.414 220 H CYS 29 H CYS 29 1.431 2.612 -3.042 221 HA CYS 29 HA CYS 29 2.522 4.480 -1.043 222 HB2 CYS 29 HB2 CYS 29 3.358 4.105 -3.922 223 HB3 CYS 29 HB1 CYS 29 3.828 5.491 -2.946 224 HA PRO 30 HA PRO 30 -1.225 6.428 -2.742 225 HB2 PRO 30 HB2 PRO 30 -1.844 7.791 -0.481 226 HB3 PRO 30 HB1 PRO 30 -2.310 6.112 -0.767 227 HG2 PRO 30 HG2 PRO 30 -0.123 7.213 0.922 228 HG3 PRO 30 HG1 PRO 30 -1.136 5.785 1.184 229 HD2 PRO 30 HD2 PRO 30 1.461 5.732 0.243 230 HD3 PRO 30 HD1 PRO 30 0.271 4.440 0.006 231 H ARG 31 H ARG 31 -1.451 8.379 -3.638 232 HA ARG 31 HA ARG 31 0.650 10.356 -3.086 233 HB2 ARG 31 HB2 ARG 31 -1.059 9.890 -5.527 234 HB3 ARG 31 HB1 ARG 31 -0.123 11.363 -5.301 235 HG2 ARG 31 HG2 ARG 31 1.900 9.867 -5.018 236 HG3 ARG 31 HG1 ARG 31 0.884 8.552 -5.610 237 HD2 ARG 31 HD2 ARG 31 0.504 9.718 -7.685 238 HD3 ARG 31 HD1 ARG 31 1.365 11.135 -7.089 239 HE ARG 31 HE ARG 31 2.507 8.867 -8.319 240 HH11 ARG 31 HH11 ARG 31 3.115 11.153 -5.734 241 HH12 ARG 31 HH12 ARG 31 4.834 10.948 -5.779 242 HH21 ARG 31 HH21 ARG 31 4.782 8.599 -8.386 243 HH22 ARG 31 HH22 ARG 31 5.783 9.492 -7.292 244 H ARG 32 H ARG 32 -1.417 10.080 -1.309 245 HA ARG 32 HA ARG 32 -2.298 12.696 -0.936 246 HB2 ARG 32 HB2 ARG 32 -4.745 12.383 -1.221 247 HB3 ARG 32 HB1 ARG 32 -3.877 12.313 -2.748 248 HG2 ARG 32 HG2 ARG 32 -3.989 9.857 -2.676 249 HG3 ARG 32 HG1 ARG 32 -4.916 9.963 -1.177 250 HD2 ARG 32 HD2 ARG 32 -6.351 9.633 -3.151 251 HD3 ARG 32 HD1 ARG 32 -6.690 11.145 -2.314 252 HE ARG 32 HE ARG 32 -6.176 12.238 -4.234 253 HH11 ARG 32 HH11 ARG 32 -4.543 9.143 -4.328 254 HH12 ARG 32 HH12 ARG 32 -3.908 9.377 -5.920 255 HH21 ARG 32 HH21 ARG 32 -5.338 12.560 -6.335 256 HH22 ARG 32 HH22 ARG 32 -4.361 11.331 -7.067 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 5.755 8.027 -2.843 2 H2 GLY 1 HT2 GLY 1 4.674 8.659 -1.698 3 H3 GLY 1 HT3 GLY 1 5.809 7.484 -1.241 4 HA2 GLY 1 HA1 GLY 1 7.548 9.196 -2.033 5 HA3 GLY 1 HA2 GLY 1 6.217 10.333 -1.840 6 H LEU 2 H LEU 2 5.853 11.148 0.127 7 HA LEU 2 HA LEU 2 7.520 10.232 2.315 8 HB2 LEU 2 HB2 LEU 2 6.322 12.172 3.523 9 HB3 LEU 2 HB1 LEU 2 7.473 12.543 2.257 10 HG LEU 2 HG LEU 2 5.448 12.728 0.695 11 HD11 LEU 2 HD11 LEU 2 3.702 13.548 2.849 12 HD12 LEU 2 HD12 LEU 2 4.073 11.825 2.927 13 HD13 LEU 2 HD13 LEU 2 3.373 12.511 1.461 14 HD21 LEU 2 HD21 LEU 2 5.056 14.925 2.527 15 HD22 LEU 2 HD22 LEU 2 5.766 14.913 0.912 16 HD23 LEU 2 HD23 LEU 2 6.767 14.552 2.318 17 H LEU 3 H LEU 3 5.531 8.451 1.397 18 HA LEU 3 HA LEU 3 4.476 7.549 3.840 19 HB2 LEU 3 HB2 LEU 3 2.863 9.385 3.442 20 HB3 LEU 3 HB1 LEU 3 2.446 8.669 1.897 21 HG LEU 3 HG LEU 3 1.591 6.668 3.076 22 HD11 LEU 3 HD11 LEU 3 1.309 6.668 5.465 23 HD12 LEU 3 HD12 LEU 3 2.031 8.271 5.590 24 HD13 LEU 3 HD13 LEU 3 3.016 6.897 5.087 25 HD21 LEU 3 HD21 LEU 3 -0.178 8.253 4.441 26 HD22 LEU 3 HD22 LEU 3 -0.269 7.855 2.725 27 HD23 LEU 3 HD23 LEU 3 0.486 9.363 3.241 28 H CYS 4 H CYS 4 4.324 5.433 3.674 29 HA CYS 4 HA CYS 4 3.360 4.068 1.334 30 HB2 CYS 4 HB2 CYS 4 6.266 3.835 2.163 31 HB3 CYS 4 HB1 CYS 4 5.451 2.637 1.171 32 H TYR 5 H TYR 5 2.682 1.951 1.876 33 HA TYR 5 HA TYR 5 3.499 0.755 4.347 34 HB2 TYR 5 HB2 TYR 5 1.100 0.678 5.252 35 HB3 TYR 5 HB1 TYR 5 1.999 2.172 5.462 36 HD1 TYR 5 HD1 TYR 5 -0.313 0.637 2.933 37 HD2 TYR 5 HD2 TYR 5 0.861 4.117 5.079 38 HE1 TYR 5 HE1 TYR 5 -2.151 1.895 1.891 39 HE2 TYR 5 HE2 TYR 5 -0.972 5.383 4.043 40 HH TYR 5 HH TYR 5 -2.729 4.210 1.365 41 H CYS 6 H CYS 6 2.373 -1.337 4.708 42 HA CYS 6 HA CYS 6 2.052 -2.605 2.135 43 HB2 CYS 6 HB2 CYS 6 3.439 -3.563 4.013 44 HB3 CYS 6 HB1 CYS 6 1.930 -3.918 4.848 45 H GLY 7 H GLY 7 0.198 -2.906 1.184 46 HA2 GLY 7 HA2 GLY 7 -2.300 -2.602 2.641 47 HA3 GLY 7 HA1 GLY 7 -2.109 -2.745 0.896 48 H LYS 8 H LYS 8 -3.663 -4.215 3.132 49 HA LYS 8 HA LYS 8 -2.712 -6.927 2.771 50 HB2 LYS 8 HB2 LYS 8 -4.956 -5.721 4.384 51 HB3 LYS 8 HB1 LYS 8 -4.791 -7.459 4.186 52 HG2 LYS 8 HG2 LYS 8 -3.786 -6.951 6.244 53 HG3 LYS 8 HG1 LYS 8 -2.455 -7.217 5.120 54 HD2 LYS 8 HD2 LYS 8 -1.738 -5.308 6.170 55 HD3 LYS 8 HD1 LYS 8 -2.619 -4.609 4.812 56 HE2 LYS 8 HE2 LYS 8 -3.755 -5.033 7.576 57 HE3 LYS 8 HE1 LYS 8 -3.106 -3.508 6.979 58 HZ1 LYS 8 HZ1 LYS 8 -5.587 -3.783 6.868 59 HZ2 LYS 8 HZ2 LYS 8 -5.340 -4.919 5.639 60 HZ3 LYS 8 HZ3 LYS 8 -4.840 -3.317 5.423 61 H GLY 9 H GLY 9 -3.279 -8.101 1.091 62 HA2 GLY 9 HA2 GLY 9 -4.653 -9.121 -0.461 63 HA3 GLY 9 HA1 GLY 9 -6.005 -8.197 0.172 64 H HIS 10 H HIS 10 -4.913 -5.599 -0.208 65 HA HIS 10 HA HIS 10 -4.031 -5.187 -2.868 66 HB2 HIS 10 HB2 HIS 10 -6.054 -4.283 -3.874 67 HB3 HIS 10 HB1 HIS 10 -6.346 -5.946 -3.381 68 HD1 HIS 10 HD1 HIS 10 -7.443 -5.960 -0.734 69 HD2 HIS 10 HD2 HIS 10 -8.139 -2.710 -3.228 70 HE1 HIS 10 HE1 HIS 10 -9.480 -4.823 0.199 71 HE2 HIS 10 HE2 HIS 10 -9.793 -2.780 -1.241 72 H CYS 11 H CYS 11 -3.897 -2.916 -3.396 73 HA CYS 11 HA CYS 11 -3.436 -1.299 -1.064 74 HB2 CYS 11 HB2 CYS 11 -3.256 -0.545 -3.992 75 HB3 CYS 11 HB1 CYS 11 -2.597 0.370 -2.640 76 H LYS 12 H LYS 12 -4.201 1.034 -1.141 77 HA LYS 12 HA LYS 12 -7.083 1.035 -1.184 78 HB2 LYS 12 HB2 LYS 12 -5.683 2.141 0.559 79 HB3 LYS 12 HB1 LYS 12 -5.133 3.282 -0.654 80 HG2 LYS 12 HG2 LYS 12 -7.477 4.038 -0.933 81 HG3 LYS 12 HG1 LYS 12 -7.933 2.971 0.400 82 HD2 LYS 12 HD2 LYS 12 -6.005 5.290 0.507 83 HD3 LYS 12 HD1 LYS 12 -7.592 5.193 1.271 84 HE2 LYS 12 HE2 LYS 12 -6.870 3.644 2.857 85 HE3 LYS 12 HE1 LYS 12 -5.461 3.183 1.903 86 HZ1 LYS 12 HZ1 LYS 12 -4.241 4.799 2.792 87 HZ2 LYS 12 HZ2 LYS 12 -5.442 4.904 3.985 88 HZ3 LYS 12 HZ3 LYS 12 -5.475 5.953 2.660 89 H ARG 13 H ARG 13 -8.419 2.148 -2.579 90 HA ARG 13 HA ARG 13 -7.585 2.534 -5.228 91 HB2 ARG 13 HB2 ARG 13 -9.912 2.037 -4.584 92 HB3 ARG 13 HB1 ARG 13 -10.047 3.631 -3.855 93 HG2 ARG 13 HG2 ARG 13 -9.682 4.656 -6.055 94 HG3 ARG 13 HG1 ARG 13 -9.595 3.047 -6.775 95 HD2 ARG 13 HD2 ARG 13 -11.881 2.591 -6.043 96 HD3 ARG 13 HD1 ARG 13 -11.969 4.190 -5.305 97 HE ARG 13 HE ARG 13 -11.292 4.502 -8.002 98 HH11 ARG 13 HH11 ARG 13 -13.996 3.453 -6.050 99 HH12 ARG 13 HH12 ARG 13 -15.191 3.925 -7.211 100 HH21 ARG 13 HH21 ARG 13 -12.863 5.131 -9.548 101 HH22 ARG 13 HH22 ARG 13 -14.542 4.882 -9.211 102 H GLY 14 H GLY 14 -5.839 3.917 -5.304 103 HA2 GLY 14 HA2 GLY 14 -6.062 6.488 -6.005 104 HA3 GLY 14 HA1 GLY 14 -6.055 6.609 -4.248 105 H GLU 15 H GLU 15 -4.313 4.379 -3.813 106 HA GLU 15 HA GLU 15 -1.796 5.720 -4.382 107 HB2 GLU 15 HB2 GLU 15 -0.876 3.906 -2.860 108 HB3 GLU 15 HB1 GLU 15 -1.985 5.059 -2.135 109 HG2 GLU 15 HG2 GLU 15 -3.783 3.286 -2.684 110 HG3 GLU 15 HG1 GLU 15 -2.407 2.188 -2.799 111 H ARG 16 H ARG 16 0.118 4.171 -4.826 112 HA ARG 16 HA ARG 16 -0.707 2.353 -6.995 113 HB2 ARG 16 HB2 ARG 16 1.796 4.043 -6.845 114 HB3 ARG 16 HB1 ARG 16 1.382 2.939 -8.149 115 HG2 ARG 16 HG2 ARG 16 -0.111 5.437 -7.377 116 HG3 ARG 16 HG1 ARG 16 0.905 5.211 -8.802 117 HD2 ARG 16 HD2 ARG 16 -0.613 3.549 -9.674 118 HD3 ARG 16 HD1 ARG 16 -1.584 3.616 -8.205 119 HE ARG 16 HE ARG 16 -2.650 5.438 -9.049 120 HH11 ARG 16 HH11 ARG 16 0.367 5.061 -10.788 121 HH12 ARG 16 HH12 ARG 16 0.042 6.354 -11.895 122 HH21 ARG 16 HH21 ARG 16 -3.083 7.147 -10.506 123 HH22 ARG 16 HH22 ARG 16 -1.927 7.544 -11.732 124 H VAL 17 H VAL 17 0.349 0.420 -7.224 125 HA VAL 17 HA VAL 17 1.404 -0.746 -4.863 126 HB VAL 17 HB VAL 17 1.817 -2.749 -6.266 127 HG11 VAL 17 HG11 VAL 17 -0.852 -2.128 -7.212 128 HG12 VAL 17 HG21 VAL 17 -0.608 -1.642 -5.535 129 HG13 VAL 17 3HG1 VAL 17 -0.322 -3.313 -6.018 130 HG21 VAL 17 HG12 VAL 17 1.763 -2.780 -8.523 131 HG22 VAL 17 HG22 VAL 17 2.138 -1.066 -8.347 132 HG23 VAL 17 HG23 VAL 17 0.474 -1.579 -8.616 133 H ARG 18 H ARG 18 3.469 -1.206 -4.289 134 HA ARG 18 HA ARG 18 5.578 -0.146 -6.054 135 HB2 ARG 18 HB2 ARG 18 5.245 1.129 -3.950 136 HB3 ARG 18 HB1 ARG 18 5.611 -0.327 -3.037 137 HG2 ARG 18 HG2 ARG 18 7.861 -0.360 -3.900 138 HG3 ARG 18 HG1 ARG 18 7.509 1.015 -4.950 139 HD2 ARG 18 HD2 ARG 18 7.145 2.435 -3.035 140 HD3 ARG 18 HD1 ARG 18 7.346 1.068 -1.942 141 HE ARG 18 HE ARG 18 9.659 1.323 -3.505 142 HH11 ARG 18 HH11 ARG 18 7.934 3.023 -0.983 143 HH12 ARG 18 HH12 ARG 18 9.360 3.718 -0.288 144 HH21 ARG 18 HH21 ARG 18 11.558 2.254 -2.604 145 HH22 ARG 18 HH22 ARG 18 11.429 3.287 -1.221 146 H GLY 19 H GLY 19 4.487 -2.811 -4.111 147 HA2 GLY 19 HA2 GLY 19 6.021 -4.713 -5.454 148 HA3 GLY 19 HA1 GLY 19 6.893 -4.282 -3.989 149 H THR 20 H THR 20 6.601 -6.417 -3.195 150 HA THR 20 HA THR 20 3.917 -6.851 -2.078 151 HB THR 20 HB THR 20 4.406 -9.346 -2.325 152 HG1 THR 20 HG1 THR 20 6.619 -9.121 -2.919 153 HG21 THR 20 HG12 THR 20 3.773 -7.532 -4.633 154 HG22 THR 20 HG22 THR 20 2.680 -8.530 -3.674 155 HG23 THR 20 HG23 THR 20 3.781 -9.285 -4.828 156 H CYS 21 H CYS 21 3.869 -7.586 0.007 157 HA CYS 21 HA CYS 21 6.425 -7.529 1.425 158 HB2 CYS 21 HB2 CYS 21 3.717 -7.805 2.712 159 HB3 CYS 21 HB1 CYS 21 5.198 -7.152 3.404 160 H GLY 22 H GLY 22 3.699 -9.649 0.770 161 HA2 GLY 22 HA2 GLY 22 5.157 -12.012 0.878 162 HA3 GLY 22 HA1 GLY 22 4.469 -11.765 2.478 163 H ILE 23 H ILE 23 3.150 -13.607 2.253 164 HA ILE 23 HA ILE 23 1.397 -14.038 0.106 165 HB ILE 23 HB ILE 23 0.112 -15.481 1.736 166 HG12 ILE 23 HG21 ILE 23 2.410 -14.766 3.576 167 HG13 ILE 23 HG11 ILE 23 0.748 -14.227 3.786 168 HG21 ILE 23 HG12 ILE 23 1.607 -17.220 1.483 169 HG22 ILE 23 HG22 ILE 23 3.011 -16.198 1.797 170 HG23 ILE 23 HG23 ILE 23 2.162 -16.081 0.256 171 HD11 ILE 23 HD11 ILE 23 0.047 -16.246 4.541 172 HD12 ILE 23 HD12 ILE 23 1.730 -16.324 5.059 173 HD13 ILE 23 HD13 ILE 23 1.223 -17.142 3.581 174 H ARG 24 H ARG 24 -0.179 -12.827 -0.533 175 HA ARG 24 HA ARG 24 -2.017 -11.514 -0.622 176 HB2 ARG 24 HB2 ARG 24 -2.849 -13.287 0.997 177 HB3 ARG 24 HB1 ARG 24 -2.473 -12.159 2.291 178 HG2 ARG 24 HG2 ARG 24 -4.042 -10.539 1.302 179 HG3 ARG 24 HG1 ARG 24 -4.448 -11.724 0.059 180 HD2 ARG 24 HD2 ARG 24 -4.814 -12.098 3.030 181 HD3 ARG 24 HD1 ARG 24 -6.092 -11.693 1.886 182 HE ARG 24 HE ARG 24 -4.852 -14.027 0.992 183 HH11 ARG 24 HH11 ARG 24 -6.777 -12.955 3.705 184 HH12 ARG 24 HH12 ARG 24 -7.500 -14.504 3.980 185 HH21 ARG 24 HH21 ARG 24 -5.800 -16.087 1.345 186 HH22 ARG 24 HH22 ARG 24 -6.940 -16.294 2.632 187 H PHE 25 H PHE 25 0.652 -10.480 0.380 188 HA PHE 25 HA PHE 25 -0.418 -7.952 1.453 189 HB2 PHE 25 HB2 PHE 25 2.028 -9.438 2.377 190 HB3 PHE 25 HB1 PHE 25 1.887 -7.692 2.552 191 HD1 PHE 25 HD2 PHE 25 -0.367 -10.620 3.178 192 HD2 PHE 25 HD1 PHE 25 1.376 -7.038 4.666 193 HE1 PHE 25 HE2 PHE 25 -1.568 -10.923 5.303 194 HE2 PHE 25 HE1 PHE 25 0.184 -7.337 6.795 195 HZ PHE 25 HZ PHE 25 -1.292 -9.281 7.115 196 H LEU 26 H LEU 26 0.246 -6.160 0.469 197 HA LEU 26 HA LEU 26 2.485 -6.333 -1.434 198 HB2 LEU 26 HB2 LEU 26 -0.292 -5.315 -1.976 199 HB3 LEU 26 HB1 LEU 26 1.080 -4.756 -2.911 200 HG LEU 26 HG LEU 26 1.490 -7.285 -3.356 201 HD11 LEU 26 HD11 LEU 26 -1.455 -7.550 -3.135 202 HD12 LEU 26 HD12 LEU 26 -0.504 -7.721 -1.661 203 HD13 LEU 26 HD13 LEU 26 -0.194 -8.779 -3.036 204 HD21 LEU 26 HD21 LEU 26 -0.501 -5.450 -4.589 205 HD22 LEU 26 HD22 LEU 26 -0.389 -7.109 -5.178 206 HD23 LEU 26 HD23 LEU 26 1.026 -6.057 -5.229 207 H TYR 27 H TYR 27 3.698 -4.491 -1.658 208 HA TYR 27 HA TYR 27 3.402 -2.523 0.451 209 HB2 TYR 27 HB2 TYR 27 5.613 -3.547 -0.426 210 HB3 TYR 27 HB1 TYR 27 5.435 -2.434 -1.776 211 HD1 TYR 27 HD1 TYR 27 4.497 -1.670 1.721 212 HD2 TYR 27 HD2 TYR 27 7.358 -1.110 -1.376 213 HE1 TYR 27 HE1 TYR 27 5.588 0.087 3.053 214 HE2 TYR 27 HE2 TYR 27 8.454 0.649 -0.055 215 HH TYR 27 HH TYR 27 7.815 1.158 3.222 216 H CYS 28 H CYS 28 2.454 -0.530 0.196 217 HA CYS 28 HA CYS 28 1.900 0.322 -2.573 218 HB2 CYS 28 HB2 CYS 28 -0.008 0.733 -0.276 219 HB3 CYS 28 HB1 CYS 28 -0.325 0.915 -1.997 220 H CYS 29 H CYS 29 1.858 2.519 -2.975 221 HA CYS 29 HA CYS 29 2.565 4.313 -0.765 222 HB2 CYS 29 HB2 CYS 29 3.979 4.189 -3.439 223 HB3 CYS 29 HB1 CYS 29 4.199 5.469 -2.252 224 HA PRO 30 HA PRO 30 -0.917 6.343 -2.697 225 HB2 PRO 30 HB2 PRO 30 -0.392 8.437 -0.704 226 HB3 PRO 30 HB1 PRO 30 -1.827 7.432 -0.932 227 HG2 PRO 30 HG2 PRO 30 -0.176 7.082 1.156 228 HG3 PRO 30 HG1 PRO 30 -1.000 5.720 0.373 229 HD2 PRO 30 HD2 PRO 30 1.831 6.653 0.070 230 HD3 PRO 30 HD1 PRO 30 1.198 4.999 0.206 231 H ARG 31 H ARG 31 -1.424 8.727 -3.187 232 HA ARG 31 HA ARG 31 0.586 9.666 -5.000 233 HB2 ARG 31 HB2 ARG 31 -1.828 9.690 -5.547 234 HB3 ARG 31 HB1 ARG 31 -2.093 10.873 -4.278 235 HG2 ARG 31 HG2 ARG 31 -2.061 11.901 -6.488 236 HG3 ARG 31 HG1 ARG 31 -0.748 12.500 -5.476 237 HD2 ARG 31 HD2 ARG 31 -0.344 10.252 -7.428 238 HD3 ARG 31 HD1 ARG 31 -0.227 11.938 -7.923 239 HE ARG 31 HE ARG 31 1.747 10.437 -6.573 240 HH11 ARG 31 HH11 ARG 31 0.364 13.656 -6.655 241 HH12 ARG 31 HH12 ARG 31 1.779 14.421 -6.015 242 HH21 ARG 31 HH21 ARG 31 3.622 11.452 -5.731 243 HH22 ARG 31 HH22 ARG 31 3.634 13.166 -5.489 244 H ARG 32 H ARG 32 1.856 9.798 -2.770 245 HA ARG 32 HA ARG 32 2.586 12.504 -2.453 246 HB2 ARG 32 HB2 ARG 32 2.047 12.792 -0.071 247 HB3 ARG 32 HB1 ARG 32 0.587 12.629 -1.034 248 HG2 ARG 32 HG2 ARG 32 0.349 10.320 -0.328 249 HG3 ARG 32 HG1 ARG 32 1.852 10.432 0.591 250 HD2 ARG 32 HD2 ARG 32 -0.086 10.676 2.051 251 HD3 ARG 32 HD1 ARG 32 0.866 12.158 2.008 252 HE ARG 32 HE ARG 32 -0.945 13.241 1.160 253 HH11 ARG 32 HH11 ARG 32 -1.407 9.812 0.650 254 HH12 ARG 32 HH12 ARG 32 -2.995 9.990 -0.019 255 HH21 ARG 32 HH21 ARG 32 -3.042 13.489 0.279 256 HH22 ARG 32 HH22 ARG 32 -3.928 12.092 -0.231 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 9.314 9.261 6.695 2 H2 GLY 1 HT2 GLY 1 7.874 10.116 6.460 3 H3 GLY 1 HT3 GLY 1 9.351 10.940 6.492 4 HA2 GLY 1 HA1 GLY 1 9.302 10.818 4.281 5 HA3 GLY 1 HA2 GLY 1 9.758 9.135 4.526 6 H LEU 2 H LEU 2 8.637 8.290 2.785 7 HA LEU 2 HA LEU 2 5.918 8.930 2.234 8 HB2 LEU 2 HB2 LEU 2 7.592 6.572 1.359 9 HB3 LEU 2 HB1 LEU 2 6.013 6.976 0.713 10 HG LEU 2 HG LEU 2 8.484 8.697 0.481 11 HD11 LEU 2 HD11 LEU 2 9.021 7.479 -1.289 12 HD12 LEU 2 HD12 LEU 2 7.461 7.856 -2.020 13 HD13 LEU 2 HD13 LEU 2 7.636 6.426 -1.002 14 HD21 LEU 2 HD21 LEU 2 5.803 9.024 -0.857 15 HD22 LEU 2 HD22 LEU 2 7.187 10.113 -0.946 16 HD23 LEU 2 HD23 LEU 2 6.311 9.924 0.573 17 H LEU 3 H LEU 3 4.069 7.918 2.853 18 HA LEU 3 HA LEU 3 4.229 6.191 5.159 19 HB2 LEU 3 HB2 LEU 3 1.895 7.392 3.673 20 HB3 LEU 3 HB1 LEU 3 1.697 6.305 5.031 21 HG LEU 3 HG LEU 3 3.083 7.989 6.375 22 HD11 LEU 3 HD11 LEU 3 3.679 9.171 4.095 23 HD12 LEU 3 HD12 LEU 3 3.504 10.088 5.592 24 HD13 LEU 3 HD13 LEU 3 2.181 10.042 4.428 25 HD21 LEU 3 HD21 LEU 3 0.567 7.614 6.416 26 HD22 LEU 3 HD22 LEU 3 0.451 9.053 5.403 27 HD23 LEU 3 HD23 LEU 3 1.158 9.165 7.015 28 H CYS 4 H CYS 4 5.387 4.733 3.391 29 HA CYS 4 HA CYS 4 3.622 3.133 1.799 30 HB2 CYS 4 HB2 CYS 4 6.522 2.769 2.559 31 HB3 CYS 4 HB1 CYS 4 5.657 1.733 1.431 32 H TYR 5 H TYR 5 2.860 1.091 2.179 33 HA TYR 5 HA TYR 5 3.631 -0.408 4.505 34 HB2 TYR 5 HB2 TYR 5 1.166 -0.460 5.322 35 HB3 TYR 5 HB1 TYR 5 2.178 0.904 5.775 36 HD1 TYR 5 HD2 TYR 5 0.133 0.088 2.733 37 HD2 TYR 5 HD1 TYR 5 0.957 2.844 5.868 38 HE1 TYR 5 HE2 TYR 5 -1.523 1.641 1.796 39 HE2 TYR 5 HE1 TYR 5 -0.700 4.405 4.938 40 HH TYR 5 HH TYR 5 -1.972 4.078 1.822 41 H CYS 6 H CYS 6 2.595 -2.515 4.573 42 HA CYS 6 HA CYS 6 2.126 -3.481 1.907 43 HB2 CYS 6 HB2 CYS 6 2.073 -4.985 4.533 44 HB3 CYS 6 HB1 CYS 6 2.147 -5.699 2.924 45 H GLY 7 H GLY 7 0.231 -3.369 0.983 46 HA2 GLY 7 HA2 GLY 7 -2.217 -3.096 2.482 47 HA3 GLY 7 HA1 GLY 7 -2.052 -3.109 0.730 48 H LYS 8 H LYS 8 -3.877 -4.549 2.620 49 HA LYS 8 HA LYS 8 -3.129 -7.321 2.280 50 HB2 LYS 8 HB2 LYS 8 -5.332 -7.739 3.436 51 HB3 LYS 8 HB1 LYS 8 -4.158 -6.813 4.361 52 HG2 LYS 8 HG2 LYS 8 -5.350 -4.735 3.620 53 HG3 LYS 8 HG1 LYS 8 -6.600 -5.778 2.939 54 HD2 LYS 8 HD2 LYS 8 -7.298 -5.056 5.125 55 HD3 LYS 8 HD1 LYS 8 -6.918 -6.777 5.192 56 HE2 LYS 8 HE2 LYS 8 -4.754 -6.288 6.174 57 HE3 LYS 8 HE1 LYS 8 -5.055 -4.557 6.032 58 HZ1 LYS 8 HZ1 LYS 8 -5.637 -6.129 8.190 59 HZ2 LYS 8 HZ2 LYS 8 -7.141 -5.895 7.452 60 HZ3 LYS 8 HZ3 LYS 8 -6.210 -4.562 7.915 61 H GLY 9 H GLY 9 -3.439 -8.295 0.414 62 HA2 GLY 9 HA2 GLY 9 -4.573 -9.156 -1.396 63 HA3 GLY 9 HA1 GLY 9 -6.017 -8.331 -0.836 64 H HIS 10 H HIS 10 -5.007 -5.666 -0.876 65 HA HIS 10 HA HIS 10 -3.861 -5.023 -3.396 66 HB2 HIS 10 HB2 HIS 10 -5.794 -4.116 -4.544 67 HB3 HIS 10 HB1 HIS 10 -6.101 -5.807 -4.172 68 HD1 HIS 10 HD1 HIS 10 -7.409 -5.941 -1.600 69 HD2 HIS 10 HD2 HIS 10 -7.999 -2.650 -4.070 70 HE1 HIS 10 HE1 HIS 10 -9.558 -4.894 -0.824 71 HE2 HIS 10 HE2 HIS 10 -9.817 -2.825 -2.238 72 H CYS 11 H CYS 11 -3.727 -2.719 -3.738 73 HA CYS 11 HA CYS 11 -3.584 -1.266 -1.261 74 HB2 CYS 11 HB2 CYS 11 -3.150 -0.191 -4.053 75 HB3 CYS 11 HB1 CYS 11 -2.567 0.499 -2.544 76 H LYS 12 H LYS 12 -4.525 0.909 -1.063 77 HA LYS 12 HA LYS 12 -7.337 0.834 -1.713 78 HB2 LYS 12 HB2 LYS 12 -5.652 2.777 -0.129 79 HB3 LYS 12 HB1 LYS 12 -7.385 2.968 -0.371 80 HG2 LYS 12 HG2 LYS 12 -7.835 0.925 0.800 81 HG3 LYS 12 HG1 LYS 12 -6.114 0.554 0.903 82 HD2 LYS 12 HD2 LYS 12 -7.149 3.104 2.071 83 HD3 LYS 12 HD1 LYS 12 -7.370 1.591 2.950 84 HE2 LYS 12 HE2 LYS 12 -5.357 2.626 3.729 85 HE3 LYS 12 HE1 LYS 12 -4.919 1.205 2.786 86 HZ1 LYS 12 HZ1 LYS 12 -3.697 3.467 2.439 87 HZ2 LYS 12 HZ2 LYS 12 -5.020 3.806 1.442 88 HZ3 LYS 12 HZ3 LYS 12 -4.040 2.465 1.113 89 H ARG 13 H ARG 13 -8.442 2.193 -3.034 90 HA ARG 13 HA ARG 13 -7.272 3.136 -5.358 91 HB2 ARG 13 HB2 ARG 13 -9.661 2.657 -5.172 92 HB3 ARG 13 HB1 ARG 13 -9.865 4.008 -4.065 93 HG2 ARG 13 HG2 ARG 13 -9.136 5.532 -5.892 94 HG3 ARG 13 HG1 ARG 13 -9.130 4.144 -6.981 95 HD2 ARG 13 HD2 ARG 13 -11.499 3.790 -6.582 96 HD3 ARG 13 HD1 ARG 13 -11.522 5.113 -5.418 97 HE ARG 13 HE ARG 13 -11.702 6.577 -7.151 98 HH11 ARG 13 HH11 ARG 13 -10.542 3.530 -8.431 99 HH12 ARG 13 HH12 ARG 13 -10.569 4.062 -10.079 100 HH21 ARG 13 HH21 ARG 13 -11.741 7.286 -9.326 101 HH22 ARG 13 HH22 ARG 13 -11.253 6.204 -10.589 102 H GLY 14 H GLY 14 -5.574 4.480 -5.140 103 HA2 GLY 14 HA2 GLY 14 -5.691 7.142 -5.213 104 HA3 GLY 14 HA1 GLY 14 -5.753 6.851 -3.477 105 H GLU 15 H GLU 15 -4.083 4.616 -3.331 106 HA GLU 15 HA GLU 15 -1.513 5.945 -3.664 107 HB2 GLU 15 HB2 GLU 15 -0.656 3.985 -2.345 108 HB3 GLU 15 HB1 GLU 15 -1.839 4.987 -1.521 109 HG2 GLU 15 HG2 GLU 15 -3.508 3.197 -2.489 110 HG3 GLU 15 HG1 GLU 15 -2.050 2.203 -2.500 111 H ARG 16 H ARG 16 0.315 4.073 -4.076 112 HA ARG 16 HA ARG 16 -0.485 2.677 -6.540 113 HB2 ARG 16 HB2 ARG 16 1.921 4.460 -6.168 114 HB3 ARG 16 HB1 ARG 16 1.753 3.333 -7.506 115 HG2 ARG 16 HG2 ARG 16 -0.109 5.621 -6.899 116 HG3 ARG 16 HG1 ARG 16 1.142 5.609 -8.143 117 HD2 ARG 16 HD2 ARG 16 0.015 3.736 -9.252 118 HD3 ARG 16 HD1 ARG 16 -1.235 3.753 -8.009 119 HE ARG 16 HE ARG 16 -1.060 5.451 -10.287 120 HH11 ARG 16 HH11 ARG 16 -2.201 5.298 -6.979 121 HH12 ARG 16 HH12 ARG 16 -3.302 6.626 -7.160 122 HH21 ARG 16 HH21 ARG 16 -2.543 7.180 -10.543 123 HH22 ARG 16 HH22 ARG 16 -3.514 7.680 -9.200 124 H VAL 17 H VAL 17 0.560 0.794 -6.993 125 HA VAL 17 HA VAL 17 1.633 -0.652 -4.784 126 HB VAL 17 HB VAL 17 1.598 -1.479 -7.692 127 HG11 VAL 17 HG11 VAL 17 2.186 -3.549 -7.046 128 HG12 VAL 17 HG21 VAL 17 1.230 -3.473 -5.566 129 HG13 VAL 17 3HG1 VAL 17 2.826 -2.724 -5.625 130 HG21 VAL 17 HG12 VAL 17 -0.628 -0.735 -6.482 131 HG22 VAL 17 HG22 VAL 17 -0.517 -2.357 -5.797 132 HG23 VAL 17 HG23 VAL 17 -0.580 -2.141 -7.547 133 H ARG 18 H ARG 18 3.704 -1.265 -4.376 134 HA ARG 18 HA ARG 18 5.784 -0.201 -6.170 135 HB2 ARG 18 HB2 ARG 18 5.685 -0.297 -3.167 136 HB3 ARG 18 HB1 ARG 18 7.212 -0.165 -4.029 137 HG2 ARG 18 HG2 ARG 18 4.910 1.770 -4.130 138 HG3 ARG 18 HG1 ARG 18 6.480 2.021 -3.362 139 HD2 ARG 18 HD2 ARG 18 7.540 1.741 -5.598 140 HD3 ARG 18 HD1 ARG 18 5.927 1.684 -6.306 141 HE ARG 18 HE ARG 18 6.229 4.015 -4.736 142 HH11 ARG 18 HH11 ARG 18 7.175 2.613 -7.791 143 HH12 ARG 18 HH12 ARG 18 7.429 4.140 -8.571 144 HH21 ARG 18 HH21 ARG 18 6.563 6.048 -5.751 145 HH22 ARG 18 HH22 ARG 18 7.079 6.103 -7.404 146 H GLY 19 H GLY 19 4.703 -2.872 -4.200 147 HA2 GLY 19 HA2 GLY 19 6.046 -4.797 -5.729 148 HA3 GLY 19 HA1 GLY 19 7.021 -4.459 -4.305 149 H THR 20 H THR 20 6.744 -6.400 -3.280 150 HA THR 20 HA THR 20 4.062 -6.887 -2.196 151 HB THR 20 HB THR 20 4.654 -9.394 -2.374 152 HG1 THR 20 HG1 THR 20 6.809 -9.124 -3.085 153 HG21 THR 20 HG12 THR 20 2.832 -8.430 -3.639 154 HG22 THR 20 HG22 THR 20 3.740 -9.528 -4.679 155 HG23 THR 20 HG23 THR 20 3.957 -7.784 -4.833 156 H CYS 21 H CYS 21 4.043 -7.824 -0.114 157 HA CYS 21 HA CYS 21 6.493 -8.588 1.168 158 HB2 CYS 21 HB2 CYS 21 6.142 -6.785 2.999 159 HB3 CYS 21 HB1 CYS 21 6.962 -6.330 1.511 160 H GLY 22 H GLY 22 5.572 -10.446 1.808 161 HA2 GLY 22 HA2 GLY 22 4.574 -11.558 3.678 162 HA3 GLY 22 HA1 GLY 22 3.446 -10.216 3.823 163 H ILE 23 H ILE 23 2.876 -13.074 3.643 164 HA ILE 23 HA ILE 23 1.998 -13.826 1.102 165 HB ILE 23 HB ILE 23 0.411 -15.363 2.321 166 HG12 ILE 23 HG21 ILE 23 1.763 -14.204 4.771 167 HG13 ILE 23 HG11 ILE 23 0.087 -13.918 4.315 168 HG21 ILE 23 HG12 ILE 23 2.953 -15.888 3.652 169 HG22 ILE 23 HG22 ILE 23 3.120 -15.494 1.942 170 HG23 ILE 23 HG23 ILE 23 2.088 -16.834 2.441 171 HD11 ILE 23 HD11 ILE 23 1.318 -16.218 5.630 172 HD12 ILE 23 HD12 ILE 23 0.183 -16.632 4.344 173 HD13 ILE 23 HD13 ILE 23 -0.341 -15.621 5.691 174 H ARG 24 H ARG 24 0.484 -13.088 -0.134 175 HA ARG 24 HA ARG 24 -1.279 -12.019 -0.997 176 HB2 ARG 24 HB2 ARG 24 -3.387 -12.368 -0.100 177 HB3 ARG 24 HB1 ARG 24 -2.455 -13.693 0.568 178 HG2 ARG 24 HG2 ARG 24 -2.174 -12.141 2.621 179 HG3 ARG 24 HG1 ARG 24 -3.548 -11.271 1.933 180 HD2 ARG 24 HD2 ARG 24 -4.866 -13.315 1.944 181 HD3 ARG 24 HD1 ARG 24 -3.491 -14.218 2.574 182 HE ARG 24 HE ARG 24 -5.371 -12.812 4.088 183 HH11 ARG 24 HH11 ARG 24 -1.873 -13.102 3.923 184 HH12 ARG 24 HH12 ARG 24 -1.655 -12.877 5.626 185 HH21 ARG 24 HH21 ARG 24 -5.069 -12.517 6.331 186 HH22 ARG 24 HH22 ARG 24 -3.470 -12.545 6.995 187 H PHE 25 H PHE 25 0.775 -10.539 0.522 188 HA PHE 25 HA PHE 25 -0.754 -8.046 0.842 189 HB2 PHE 25 HB2 PHE 25 1.450 -9.116 2.577 190 HB3 PHE 25 HB1 PHE 25 1.226 -7.380 2.395 191 HD1 PHE 25 HD1 PHE 25 -1.076 -10.288 2.924 192 HD2 PHE 25 HD2 PHE 25 0.214 -6.441 4.196 193 HE1 PHE 25 HE1 PHE 25 -2.776 -10.311 4.702 194 HE2 PHE 25 HE2 PHE 25 -1.483 -6.455 5.976 195 HZ PHE 25 HZ PHE 25 -2.980 -8.393 6.232 196 H LEU 26 H LEU 26 0.089 -6.267 -0.108 197 HA LEU 26 HA LEU 26 2.623 -6.610 -1.567 198 HB2 LEU 26 HB2 LEU 26 1.732 -5.447 -3.485 199 HB3 LEU 26 HB1 LEU 26 0.749 -6.850 -3.129 200 HG LEU 26 HG LEU 26 -0.033 -4.054 -2.301 201 HD11 LEU 26 HD11 LEU 26 -0.375 -5.508 -4.878 202 HD12 LEU 26 HD12 LEU 26 -0.080 -3.795 -4.579 203 HD13 LEU 26 HD13 LEU 26 -1.684 -4.476 -4.298 204 HD21 LEU 26 HD21 LEU 26 -1.937 -6.282 -2.819 205 HD22 LEU 26 HD22 LEU 26 -2.062 -4.924 -1.699 206 HD23 LEU 26 HD23 LEU 26 -1.020 -6.293 -1.312 207 H TYR 27 H TYR 27 3.802 -4.670 -1.983 208 HA TYR 27 HA TYR 27 3.621 -2.817 0.208 209 HB2 TYR 27 HB2 TYR 27 5.726 -3.766 -1.045 210 HB3 TYR 27 HB1 TYR 27 5.432 -2.433 -2.154 211 HD1 TYR 27 HD2 TYR 27 5.063 -2.530 1.553 212 HD2 TYR 27 HD1 TYR 27 7.199 -0.969 -1.777 213 HE1 TYR 27 HE2 TYR 27 6.310 -1.040 3.059 214 HE2 TYR 27 HE1 TYR 27 8.455 0.523 -0.281 215 HH TYR 27 HH TYR 27 8.944 0.210 2.640 216 H CYS 28 H CYS 28 2.440 -1.010 0.218 217 HA CYS 28 HA CYS 28 1.746 0.216 -2.375 218 HB2 CYS 28 HB2 CYS 28 0.045 0.214 0.126 219 HB3 CYS 28 HB1 CYS 28 -0.409 0.819 -1.462 220 H CYS 29 H CYS 29 1.949 2.402 -2.558 221 HA CYS 29 HA CYS 29 2.695 3.921 -0.154 222 HB2 CYS 29 HB2 CYS 29 4.093 4.086 -2.836 223 HB3 CYS 29 HB1 CYS 29 4.412 5.127 -1.454 224 HA PRO 30 HA PRO 30 -0.591 6.459 -1.765 225 HB2 PRO 30 HB2 PRO 30 -0.257 8.536 -0.024 226 HB3 PRO 30 HB1 PRO 30 -1.091 7.033 0.385 227 HG2 PRO 30 HG2 PRO 30 1.719 7.864 0.984 228 HG3 PRO 30 HG1 PRO 30 0.551 7.033 2.027 229 HD2 PRO 30 HD2 PRO 30 2.537 5.719 0.761 230 HD3 PRO 30 HD1 PRO 30 0.948 4.980 1.046 231 H ARG 31 H ARG 31 -0.817 8.207 -3.094 232 HA ARG 31 HA ARG 31 1.606 9.260 -4.251 233 HB2 ARG 31 HB2 ARG 31 -0.385 8.587 -5.611 234 HB3 ARG 31 HB1 ARG 31 -1.266 9.938 -4.914 235 HG2 ARG 31 HG2 ARG 31 -0.463 10.503 -7.124 236 HG3 ARG 31 HG1 ARG 31 0.346 11.495 -5.910 237 HD2 ARG 31 HD2 ARG 31 1.606 8.948 -6.850 238 HD3 ARG 31 HD1 ARG 31 1.728 10.405 -7.834 239 HE ARG 31 HE ARG 31 3.094 9.849 -5.363 240 HH11 ARG 31 HH11 ARG 31 2.009 12.360 -7.545 241 HH12 ARG 31 HH12 ARG 31 3.089 13.557 -6.916 242 HH21 ARG 31 HH21 ARG 31 4.517 11.433 -4.517 243 HH22 ARG 31 HH22 ARG 31 4.519 13.028 -5.187 244 H ARG 32 H ARG 32 -1.124 10.455 -2.381 245 HA ARG 32 HA ARG 32 0.387 12.544 -1.206 246 HB2 ARG 32 HB2 ARG 32 -0.049 13.611 -3.392 247 HB3 ARG 32 HB1 ARG 32 -1.771 13.329 -3.191 248 HG2 ARG 32 HG2 ARG 32 -0.378 14.880 -1.082 249 HG3 ARG 32 HG1 ARG 32 -0.640 15.659 -2.642 250 HD2 ARG 32 HD2 ARG 32 -3.011 15.314 -2.481 251 HD3 ARG 32 HD1 ARG 32 -2.816 14.332 -1.030 252 HE ARG 32 HE ARG 32 -2.874 17.191 -1.195 253 HH11 ARG 32 HH11 ARG 32 -1.781 14.443 0.700 254 HH12 ARG 32 HH12 ARG 32 -1.558 15.386 2.145 255 HH21 ARG 32 HH21 ARG 32 -2.585 18.422 0.720 256 HH22 ARG 32 HH22 ARG 32 -2.016 17.642 2.158 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 6.477 15.238 2.029 2 H2 GLY 1 HT2 GLY 1 7.253 14.622 0.659 3 H3 GLY 1 HT3 GLY 1 8.105 15.601 1.744 4 HA2 GLY 1 HA1 GLY 1 8.832 13.721 2.657 5 HA3 GLY 1 HA2 GLY 1 7.215 13.616 3.345 6 H LEU 2 H LEU 2 7.094 11.374 3.291 7 HA LEU 2 HA LEU 2 6.280 10.266 0.795 8 HB2 LEU 2 HB2 LEU 2 7.909 8.542 0.524 9 HB3 LEU 2 HB1 LEU 2 8.746 10.071 0.582 10 HG LEU 2 HG LEU 2 10.119 8.578 1.736 11 HD11 LEU 2 HD11 LEU 2 9.639 9.200 4.275 12 HD12 LEU 2 HD12 LEU 2 8.618 10.406 3.492 13 HD13 LEU 2 HD13 LEU 2 10.341 10.331 3.118 14 HD21 LEU 2 HD21 LEU 2 7.997 7.617 3.597 15 HD22 LEU 2 HD22 LEU 2 9.519 6.856 3.130 16 HD23 LEU 2 HD23 LEU 2 8.168 6.894 1.996 17 H LEU 3 H LEU 3 5.294 8.176 1.042 18 HA LEU 3 HA LEU 3 5.074 7.007 3.658 19 HB2 LEU 3 HB2 LEU 3 3.485 9.095 3.466 20 HB3 LEU 3 HB1 LEU 3 2.496 8.015 2.506 21 HG LEU 3 HG LEU 3 1.797 8.183 4.887 22 HD11 LEU 3 HD11 LEU 3 1.272 5.920 5.153 23 HD12 LEU 3 HD12 LEU 3 2.730 5.392 4.313 24 HD13 LEU 3 HD13 LEU 3 1.419 6.148 3.409 25 HD21 LEU 3 HD21 LEU 3 3.135 7.716 6.636 26 HD22 LEU 3 HD22 LEU 3 4.417 8.125 5.495 27 HD23 LEU 3 HD23 LEU 3 3.993 6.436 5.778 28 H CYS 4 H CYS 4 4.917 4.899 3.322 29 HA CYS 4 HA CYS 4 3.249 3.811 1.209 30 HB2 CYS 4 HB2 CYS 4 6.172 3.030 1.398 31 HB3 CYS 4 HB1 CYS 4 4.995 2.445 0.231 32 H TYR 5 H TYR 5 2.525 1.712 1.729 33 HA TYR 5 HA TYR 5 3.775 0.298 3.912 34 HB2 TYR 5 HB2 TYR 5 1.686 0.157 5.275 35 HB3 TYR 5 HB1 TYR 5 2.430 1.745 5.256 36 HD1 TYR 5 HD2 TYR 5 -0.077 -0.033 3.083 37 HD2 TYR 5 HD1 TYR 5 0.896 3.433 5.350 38 HE1 TYR 5 HE2 TYR 5 -2.244 0.963 2.482 39 HE2 TYR 5 HE1 TYR 5 -1.269 4.432 4.763 40 HH TYR 5 HH TYR 5 -3.276 3.171 2.311 41 H CYS 6 H CYS 6 2.787 -1.813 4.309 42 HA CYS 6 HA CYS 6 1.941 -2.964 1.789 43 HB2 CYS 6 HB2 CYS 6 2.672 -4.255 4.426 44 HB3 CYS 6 HB1 CYS 6 2.302 -5.130 2.944 45 H GLY 7 H GLY 7 -0.142 -2.951 1.328 46 HA2 GLY 7 HA2 GLY 7 -2.183 -2.873 3.359 47 HA3 GLY 7 HA1 GLY 7 -2.435 -2.941 1.618 48 H LYS 8 H LYS 8 -3.377 -4.514 4.128 49 HA LYS 8 HA LYS 8 -2.547 -7.201 3.493 50 HB2 LYS 8 HB2 LYS 8 -2.993 -6.524 5.829 51 HB3 LYS 8 HB1 LYS 8 -4.674 -6.225 5.411 52 HG2 LYS 8 HG2 LYS 8 -4.915 -8.612 4.817 53 HG3 LYS 8 HG1 LYS 8 -3.255 -8.881 5.347 54 HD2 LYS 8 HD2 LYS 8 -4.776 -9.514 7.112 55 HD3 LYS 8 HD1 LYS 8 -3.883 -8.073 7.599 56 HE2 LYS 8 HE2 LYS 8 -5.788 -6.675 7.000 57 HE3 LYS 8 HE1 LYS 8 -6.678 -8.100 6.465 58 HZ1 LYS 8 HZ1 LYS 8 -5.787 -8.539 9.085 59 HZ2 LYS 8 HZ2 LYS 8 -7.378 -8.397 8.528 60 HZ3 LYS 8 HZ3 LYS 8 -6.535 -7.022 9.037 61 H GLY 9 H GLY 9 -3.410 -8.336 1.909 62 HA2 GLY 9 HA2 GLY 9 -5.068 -9.333 0.641 63 HA3 GLY 9 HA1 GLY 9 -6.265 -8.398 1.521 64 H HIS 10 H HIS 10 -5.276 -5.801 0.990 65 HA HIS 10 HA HIS 10 -4.798 -5.321 -1.751 66 HB2 HIS 10 HB2 HIS 10 -6.927 -4.627 -2.580 67 HB3 HIS 10 HB1 HIS 10 -7.165 -6.224 -1.883 68 HD1 HIS 10 HD1 HIS 10 -7.880 -5.845 0.918 69 HD2 HIS 10 HD2 HIS 10 -9.011 -3.053 -1.946 70 HE1 HIS 10 HE1 HIS 10 -9.831 -4.612 1.914 71 HE2 HIS 10 HE2 HIS 10 -10.405 -2.837 0.221 72 H CYS 11 H CYS 11 -4.445 -3.154 -2.161 73 HA CYS 11 HA CYS 11 -4.264 -1.436 0.169 74 HB2 CYS 11 HB2 CYS 11 -3.498 -0.887 -2.710 75 HB3 CYS 11 HB1 CYS 11 -3.028 0.066 -1.306 76 H LYS 12 H LYS 12 -4.799 1.062 -0.564 77 HA LYS 12 HA LYS 12 -7.666 1.012 -1.007 78 HB2 LYS 12 HB2 LYS 12 -5.863 3.408 -0.604 79 HB3 LYS 12 HB1 LYS 12 -7.620 3.416 -0.570 80 HG2 LYS 12 HG2 LYS 12 -7.282 1.668 1.356 81 HG3 LYS 12 HG1 LYS 12 -5.686 2.412 1.458 82 HD2 LYS 12 HD2 LYS 12 -8.371 3.739 1.792 83 HD3 LYS 12 HD1 LYS 12 -7.101 3.555 2.998 84 HE2 LYS 12 HE2 LYS 12 -6.810 5.175 0.473 85 HE3 LYS 12 HE1 LYS 12 -7.305 5.850 2.022 86 HZ1 LYS 12 HZ1 LYS 12 -4.956 6.174 1.642 87 HZ2 LYS 12 HZ2 LYS 12 -4.711 4.503 1.458 88 HZ3 LYS 12 HZ3 LYS 12 -5.188 5.132 2.957 89 H ARG 13 H ARG 13 -8.757 1.858 -2.744 90 HA ARG 13 HA ARG 13 -7.513 1.699 -5.264 91 HB2 ARG 13 HB2 ARG 13 -9.880 1.212 -4.963 92 HB3 ARG 13 HB1 ARG 13 -10.187 2.872 -4.477 93 HG2 ARG 13 HG2 ARG 13 -10.898 2.424 -6.776 94 HG3 ARG 13 HG1 ARG 13 -9.645 3.662 -6.697 95 HD2 ARG 13 HD2 ARG 13 -7.960 1.974 -7.288 96 HD3 ARG 13 HD1 ARG 13 -9.229 0.755 -7.395 97 HE ARG 13 HE ARG 13 -9.643 1.489 -9.501 98 HH11 ARG 13 HH11 ARG 13 -8.187 4.153 -7.743 99 HH12 ARG 13 HH12 ARG 13 -8.158 5.210 -9.114 100 HH21 ARG 13 HH21 ARG 13 -9.598 2.883 -11.313 101 HH22 ARG 13 HH22 ARG 13 -8.962 4.486 -11.149 102 H GLY 14 H GLY 14 -5.754 3.127 -5.204 103 HA2 GLY 14 HA2 GLY 14 -5.847 5.460 -6.522 104 HA3 GLY 14 HA1 GLY 14 -6.233 5.972 -4.883 105 H GLU 15 H GLU 15 -4.499 3.622 -3.983 106 HA GLU 15 HA GLU 15 -2.089 5.155 -3.681 107 HB2 GLU 15 HB2 GLU 15 -2.697 2.323 -2.818 108 HB3 GLU 15 HB1 GLU 15 -1.373 3.324 -2.245 109 HG2 GLU 15 HG2 GLU 15 -2.908 4.843 -1.204 110 HG3 GLU 15 HG1 GLU 15 -4.282 3.982 -1.891 111 H ARG 16 H ARG 16 -0.010 4.586 -4.393 112 HA ARG 16 HA ARG 16 -0.010 3.217 -6.948 113 HB2 ARG 16 HB2 ARG 16 2.122 4.735 -5.446 114 HB3 ARG 16 HB1 ARG 16 2.406 3.949 -6.993 115 HG2 ARG 16 HG2 ARG 16 0.366 6.109 -6.502 116 HG3 ARG 16 HG1 ARG 16 1.964 6.356 -7.209 117 HD2 ARG 16 HD2 ARG 16 1.376 4.849 -9.050 118 HD3 ARG 16 HD1 ARG 16 -0.219 4.607 -8.342 119 HE ARG 16 HE ARG 16 0.642 6.815 -9.929 120 HH11 ARG 16 HH11 ARG 16 -1.565 5.868 -7.384 121 HH12 ARG 16 HH12 ARG 16 -2.646 7.192 -7.647 122 HH21 ARG 16 HH21 ARG 16 -0.787 8.566 -10.293 123 HH22 ARG 16 HH22 ARG 16 -2.203 8.732 -9.310 124 H VAL 17 H VAL 17 0.273 1.125 -7.082 125 HA VAL 17 HA VAL 17 1.315 -0.455 -4.945 126 HB VAL 17 HB VAL 17 -0.431 -1.387 -6.311 127 HG11 VAL 17 HG11 VAL 17 0.770 -2.009 -8.765 128 HG12 VAL 17 HG21 VAL 17 1.108 -0.303 -8.477 129 HG13 VAL 17 3HG1 VAL 17 -0.556 -0.885 -8.468 130 HG21 VAL 17 HG12 VAL 17 1.254 -3.310 -7.410 131 HG22 VAL 17 HG22 VAL 17 0.511 -3.339 -5.811 132 HG23 VAL 17 HG23 VAL 17 2.133 -2.680 -6.018 133 H ARG 18 H ARG 18 3.288 -1.415 -4.731 134 HA ARG 18 HA ARG 18 5.309 -0.702 -6.758 135 HB2 ARG 18 HB2 ARG 18 5.712 -1.144 -3.795 136 HB3 ARG 18 HB1 ARG 18 6.978 -0.763 -4.954 137 HG2 ARG 18 HG2 ARG 18 5.766 1.373 -5.440 138 HG3 ARG 18 HG1 ARG 18 4.700 0.996 -4.085 139 HD2 ARG 18 HD2 ARG 18 6.414 2.466 -3.296 140 HD3 ARG 18 HD1 ARG 18 6.712 0.864 -2.625 141 HE ARG 18 HE ARG 18 8.707 0.830 -3.717 142 HH11 ARG 18 HH11 ARG 18 6.693 3.272 -5.203 143 HH12 ARG 18 HH12 ARG 18 7.914 3.798 -6.313 144 HH21 ARG 18 HH21 ARG 18 10.336 1.523 -5.176 145 HH22 ARG 18 HH22 ARG 18 9.995 2.798 -6.296 146 H GLY 19 H GLY 19 4.299 -3.195 -4.446 147 HA2 GLY 19 HA2 GLY 19 4.665 -5.363 -6.113 148 HA3 GLY 19 HA1 GLY 19 6.214 -5.124 -5.312 149 H THR 20 H THR 20 5.523 -7.391 -4.581 150 HA THR 20 HA THR 20 3.568 -7.401 -2.429 151 HB THR 20 HB THR 20 4.318 -9.853 -2.276 152 HG1 THR 20 HG1 THR 20 6.297 -9.444 -3.498 153 HG21 THR 20 HG12 THR 20 2.882 -8.576 -4.564 154 HG22 THR 20 HG22 THR 20 2.250 -9.593 -3.268 155 HG23 THR 20 HG23 THR 20 3.169 -10.316 -4.590 156 H CYS 21 H CYS 21 4.043 -7.738 -0.251 157 HA CYS 21 HA CYS 21 6.860 -7.971 0.518 158 HB2 CYS 21 HB2 CYS 21 6.401 -6.086 2.227 159 HB3 CYS 21 HB1 CYS 21 6.782 -5.648 0.564 160 H GLY 22 H GLY 22 4.957 -9.908 0.751 161 HA2 GLY 22 HA2 GLY 22 5.185 -11.086 3.087 162 HA3 GLY 22 HA1 GLY 22 4.000 -9.856 3.510 163 H ILE 23 H ILE 23 3.288 -12.465 3.821 164 HA ILE 23 HA ILE 23 2.089 -13.614 1.543 165 HB ILE 23 HB ILE 23 0.667 -14.880 3.203 166 HG12 ILE 23 HG21 ILE 23 2.463 -13.477 5.201 167 HG13 ILE 23 HG11 ILE 23 0.734 -13.199 5.019 168 HG21 ILE 23 HG12 ILE 23 2.755 -15.740 2.260 169 HG22 ILE 23 HG22 ILE 23 2.520 -16.285 3.920 170 HG23 ILE 23 HG23 ILE 23 3.658 -14.983 3.572 171 HD11 ILE 23 HD11 ILE 23 1.845 -14.898 6.802 172 HD12 ILE 23 HD12 ILE 23 1.483 -15.995 5.470 173 HD13 ILE 23 HD13 ILE 23 0.196 -15.027 6.191 174 H ARG 24 H ARG 24 0.659 -12.649 0.389 175 HA ARG 24 HA ARG 24 -1.202 -11.596 -0.328 176 HB2 ARG 24 HB2 ARG 24 -2.320 -13.218 1.235 177 HB3 ARG 24 HB1 ARG 24 -2.300 -11.964 2.465 178 HG2 ARG 24 HG2 ARG 24 -4.470 -12.165 1.315 179 HG3 ARG 24 HG1 ARG 24 -3.742 -10.567 1.139 180 HD2 ARG 24 HD2 ARG 24 -2.844 -11.332 -1.079 181 HD3 ARG 24 HD1 ARG 24 -3.825 -12.785 -0.899 182 HE ARG 24 HE ARG 24 -4.713 -10.190 -1.686 183 HH11 ARG 24 HH11 ARG 24 -5.730 -13.128 -0.066 184 HH12 ARG 24 HH12 ARG 24 -7.416 -12.851 -0.348 185 HH21 ARG 24 HH21 ARG 24 -6.927 -9.816 -2.052 186 HH22 ARG 24 HH22 ARG 24 -8.100 -10.963 -1.491 187 H PHE 25 H PHE 25 1.045 -10.145 0.932 188 HA PHE 25 HA PHE 25 -0.399 -7.690 1.689 189 HB2 PHE 25 HB2 PHE 25 2.294 -8.694 2.551 190 HB3 PHE 25 HB1 PHE 25 1.938 -6.967 2.533 191 HD1 PHE 25 HD1 PHE 25 -0.052 -9.957 3.576 192 HD2 PHE 25 HD2 PHE 25 1.639 -6.209 4.662 193 HE1 PHE 25 HE1 PHE 25 -1.098 -10.133 5.795 194 HE2 PHE 25 HE2 PHE 25 0.596 -6.377 6.883 195 HZ PHE 25 HZ PHE 25 -0.774 -8.342 7.453 196 H LEU 26 H LEU 26 -0.118 -5.921 0.546 197 HA LEU 26 HA LEU 26 1.776 -6.024 -1.717 198 HB2 LEU 26 HB2 LEU 26 -0.696 -6.263 -2.237 199 HB3 LEU 26 HB1 LEU 26 -0.888 -4.613 -1.682 200 HG LEU 26 HG LEU 26 0.690 -3.881 -3.468 201 HD11 LEU 26 HD11 LEU 26 0.904 -5.616 -5.359 202 HD12 LEU 26 HD12 LEU 26 0.597 -6.808 -4.097 203 HD13 LEU 26 HD13 LEU 26 1.994 -5.739 -3.979 204 HD21 LEU 26 HD21 LEU 26 -1.504 -5.397 -4.795 205 HD22 LEU 26 HD22 LEU 26 -0.974 -3.733 -5.040 206 HD23 LEU 26 HD23 LEU 26 -1.916 -4.157 -3.611 207 H TYR 27 H TYR 27 3.229 -4.435 -1.752 208 HA TYR 27 HA TYR 27 3.130 -2.313 0.193 209 HB2 TYR 27 HB2 TYR 27 5.214 -3.592 -0.682 210 HB3 TYR 27 HB1 TYR 27 5.109 -2.515 -2.068 211 HD1 TYR 27 HD1 TYR 27 4.519 -1.776 1.535 212 HD2 TYR 27 HD2 TYR 27 6.968 -1.128 -1.881 213 HE1 TYR 27 HE1 TYR 27 5.794 -0.082 2.779 214 HE2 TYR 27 HE2 TYR 27 8.252 0.567 -0.647 215 HH TYR 27 HH TYR 27 7.825 1.069 2.769 216 H CYS 28 H CYS 28 2.093 -0.455 -0.130 217 HA CYS 28 HA CYS 28 1.992 0.637 -2.854 218 HB2 CYS 28 HB2 CYS 28 -0.369 0.430 -0.973 219 HB3 CYS 28 HB1 CYS 28 -0.371 1.262 -2.523 220 H CYS 29 H CYS 29 2.057 2.824 -3.007 221 HA CYS 29 HA CYS 29 2.576 4.276 -0.504 222 HB2 CYS 29 HB2 CYS 29 3.287 5.020 -3.355 223 HB3 CYS 29 HB1 CYS 29 3.706 5.946 -1.916 224 HA PRO 30 HA PRO 30 -1.472 5.891 -1.559 225 HB2 PRO 30 HB2 PRO 30 -2.192 6.606 0.916 226 HB3 PRO 30 HB1 PRO 30 -2.198 4.926 0.366 227 HG2 PRO 30 HG2 PRO 30 -0.216 6.359 2.079 228 HG3 PRO 30 HG1 PRO 30 -0.810 4.695 2.204 229 HD2 PRO 30 HD2 PRO 30 1.599 5.445 1.058 230 HD3 PRO 30 HD1 PRO 30 0.756 3.916 0.749 231 H ARG 31 H ARG 31 -2.138 7.789 -2.104 232 HA ARG 31 HA ARG 31 -0.511 10.135 -1.569 233 HB2 ARG 31 HB2 ARG 31 -1.772 11.237 -3.267 234 HB3 ARG 31 HB1 ARG 31 -1.499 9.607 -3.860 235 HG2 ARG 31 HG2 ARG 31 -4.048 10.513 -2.530 236 HG3 ARG 31 HG1 ARG 31 -3.789 10.496 -4.274 237 HD2 ARG 31 HD2 ARG 31 -4.297 8.333 -4.375 238 HD3 ARG 31 HD1 ARG 31 -3.081 7.948 -3.157 239 HE ARG 31 HE ARG 31 -4.744 7.781 -1.591 240 HH11 ARG 31 HH11 ARG 31 -6.051 9.428 -4.402 241 HH12 ARG 31 HH12 ARG 31 -7.656 9.508 -3.757 242 HH21 ARG 31 HH21 ARG 31 -6.822 7.902 -0.739 243 HH22 ARG 31 HH22 ARG 31 -8.101 8.635 -1.660 244 H ARG 32 H ARG 32 -3.244 8.530 -0.475 245 HA ARG 32 HA ARG 32 -3.709 9.950 1.826 246 HB2 ARG 32 HB2 ARG 32 -4.499 11.650 -0.003 247 HB3 ARG 32 HB1 ARG 32 -5.891 10.588 -0.148 248 HG2 ARG 32 HG2 ARG 32 -6.647 11.081 1.989 249 HG3 ARG 32 HG1 ARG 32 -5.067 11.669 2.516 250 HD2 ARG 32 HD2 ARG 32 -6.936 13.005 0.562 251 HD3 ARG 32 HD1 ARG 32 -6.555 13.545 2.199 252 HE ARG 32 HE ARG 32 -4.159 13.345 0.775 253 HH11 ARG 32 HH11 ARG 32 -7.076 15.277 0.755 254 HH12 ARG 32 HH12 ARG 32 -6.304 16.675 0.088 255 HH21 ARG 32 HH21 ARG 32 -3.128 15.183 -0.105 256 HH22 ARG 32 HH22 ARG 32 -4.045 16.622 -0.404 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 8.323 12.792 1.371 2 H2 GLY 1 HT2 GLY 1 9.974 12.442 1.504 3 H3 GLY 1 HT3 GLY 1 9.004 12.472 2.889 4 HA2 GLY 1 HA1 GLY 1 9.445 10.352 1.012 5 HA3 GLY 1 HA2 GLY 1 8.821 10.280 2.656 6 H LEU 2 H LEU 2 7.147 8.862 2.187 7 HA LEU 2 HA LEU 2 4.781 10.085 1.102 8 HB2 LEU 2 HB2 LEU 2 6.010 9.165 -0.905 9 HB3 LEU 2 HB1 LEU 2 5.816 7.568 -0.208 10 HG LEU 2 HG LEU 2 3.386 7.759 -0.383 11 HD11 LEU 2 HD11 LEU 2 3.646 10.275 -1.960 12 HD12 LEU 2 HD12 LEU 2 3.582 10.366 -0.199 13 HD13 LEU 2 HD13 LEU 2 2.253 9.625 -1.092 14 HD21 LEU 2 HD21 LEU 2 4.707 6.869 -2.270 15 HD22 LEU 2 HD22 LEU 2 4.743 8.485 -2.976 16 HD23 LEU 2 HD23 LEU 2 3.208 7.637 -2.787 17 H LEU 3 H LEU 3 2.873 8.822 1.605 18 HA LEU 3 HA LEU 3 3.170 7.368 4.053 19 HB2 LEU 3 HB2 LEU 3 0.741 7.990 2.371 20 HB3 LEU 3 HB1 LEU 3 0.667 7.137 3.898 21 HG LEU 3 HG LEU 3 1.775 9.212 4.920 22 HD11 LEU 3 HD11 LEU 3 2.415 10.808 3.518 23 HD12 LEU 3 HD12 LEU 3 0.709 11.138 3.215 24 HD13 LEU 3 HD13 LEU 3 1.594 10.033 2.163 25 HD21 LEU 3 HD21 LEU 3 -0.960 8.651 4.188 26 HD22 LEU 3 HD22 LEU 3 -0.675 10.385 4.345 27 HD23 LEU 3 HD23 LEU 3 -0.305 9.305 5.690 28 H CYS 4 H CYS 4 4.582 5.851 2.511 29 HA CYS 4 HA CYS 4 3.064 3.803 1.178 30 HB2 CYS 4 HB2 CYS 4 5.988 3.940 1.921 31 HB3 CYS 4 HB1 CYS 4 5.256 2.666 0.952 32 H TYR 5 H TYR 5 2.509 1.824 1.900 33 HA TYR 5 HA TYR 5 3.631 0.672 4.250 34 HB2 TYR 5 HB2 TYR 5 1.393 0.520 5.471 35 HB3 TYR 5 HB1 TYR 5 2.251 2.050 5.554 36 HD1 TYR 5 HD2 TYR 5 -0.152 0.533 3.094 37 HD2 TYR 5 HD1 TYR 5 0.810 3.816 5.623 38 HE1 TYR 5 HE2 TYR 5 -2.176 1.704 2.337 39 HE2 TYR 5 HE1 TYR 5 -1.213 4.991 4.879 40 HH TYR 5 HH TYR 5 -3.043 3.988 2.186 41 H CYS 6 H CYS 6 2.692 -1.451 4.720 42 HA CYS 6 HA CYS 6 2.119 -2.779 2.245 43 HB2 CYS 6 HB2 CYS 6 2.402 -3.857 5.052 44 HB3 CYS 6 HB1 CYS 6 2.268 -4.844 3.599 45 H GLY 7 H GLY 7 0.198 -3.042 1.434 46 HA2 GLY 7 HA2 GLY 7 -2.175 -2.902 3.135 47 HA3 GLY 7 HA1 GLY 7 -2.146 -2.869 1.374 48 H LYS 8 H LYS 8 -3.533 -4.613 3.469 49 HA LYS 8 HA LYS 8 -2.467 -7.215 2.752 50 HB2 LYS 8 HB2 LYS 8 -4.197 -8.105 4.315 51 HB3 LYS 8 HB1 LYS 8 -3.043 -7.017 5.067 52 HG2 LYS 8 HG2 LYS 8 -4.664 -5.234 5.075 53 HG3 LYS 8 HG1 LYS 8 -5.816 -6.239 4.191 54 HD2 LYS 8 HD2 LYS 8 -5.914 -7.800 6.052 55 HD3 LYS 8 HD1 LYS 8 -4.708 -6.858 6.930 56 HE2 LYS 8 HE2 LYS 8 -7.416 -5.838 6.081 57 HE3 LYS 8 HE1 LYS 8 -7.028 -6.439 7.690 58 HZ1 LYS 8 HZ1 LYS 8 -6.129 -3.969 6.376 59 HZ2 LYS 8 HZ2 LYS 8 -5.173 -4.664 7.585 60 HZ3 LYS 8 HZ3 LYS 8 -6.760 -4.184 7.933 61 H GLY 9 H GLY 9 -3.278 -8.463 1.245 62 HA2 GLY 9 HA2 GLY 9 -4.840 -9.369 -0.213 63 HA3 GLY 9 HA1 GLY 9 -6.034 -8.238 0.403 64 H HIS 10 H HIS 10 -4.897 -5.796 -0.073 65 HA HIS 10 HA HIS 10 -3.692 -5.418 -2.569 66 HB2 HIS 10 HB2 HIS 10 -5.555 -4.774 -4.007 67 HB3 HIS 10 HB1 HIS 10 -5.750 -6.444 -3.494 68 HD1 HIS 10 HD1 HIS 10 -7.085 -2.983 -2.668 69 HD2 HIS 10 HD2 HIS 10 -8.171 -6.991 -2.339 70 HE1 HIS 10 HE1 HIS 10 -9.452 -2.978 -1.817 71 HE2 HIS 10 HE2 HIS 10 -10.032 -5.406 -1.486 72 H CYS 11 H CYS 11 -3.768 -3.163 -3.288 73 HA CYS 11 HA CYS 11 -3.886 -1.354 -1.048 74 HB2 CYS 11 HB2 CYS 11 -3.428 -0.638 -3.949 75 HB3 CYS 11 HB1 CYS 11 -2.928 0.268 -2.527 76 H LYS 12 H LYS 12 -5.078 0.750 -1.261 77 HA LYS 12 HA LYS 12 -7.768 0.190 -2.276 78 HB2 LYS 12 HB2 LYS 12 -7.669 2.712 -0.947 79 HB3 LYS 12 HB1 LYS 12 -8.479 1.234 -0.440 80 HG2 LYS 12 HG2 LYS 12 -6.066 0.564 0.342 81 HG3 LYS 12 HG1 LYS 12 -5.826 2.310 0.347 82 HD2 LYS 12 HD2 LYS 12 -7.717 2.576 1.865 83 HD3 LYS 12 HD1 LYS 12 -7.998 0.834 1.831 84 HE2 LYS 12 HE2 LYS 12 -6.786 1.423 3.843 85 HE3 LYS 12 HE1 LYS 12 -5.753 0.472 2.776 86 HZ1 LYS 12 HZ1 LYS 12 -5.661 3.403 3.221 87 HZ2 LYS 12 HZ2 LYS 12 -4.806 2.627 1.982 88 HZ3 LYS 12 HZ3 LYS 12 -4.467 2.266 3.599 89 H ARG 13 H ARG 13 -8.922 1.729 -3.526 90 HA ARG 13 HA ARG 13 -7.662 2.595 -5.797 91 HB2 ARG 13 HB2 ARG 13 -10.136 2.328 -5.400 92 HB3 ARG 13 HB1 ARG 13 -10.117 3.903 -4.623 93 HG2 ARG 13 HG2 ARG 13 -8.950 3.790 -7.326 94 HG3 ARG 13 HG1 ARG 13 -10.688 3.513 -7.218 95 HD2 ARG 13 HD2 ARG 13 -10.915 5.626 -5.962 96 HD3 ARG 13 HD1 ARG 13 -9.185 5.907 -6.160 97 HE ARG 13 HE ARG 13 -10.230 5.505 -8.698 98 HH11 ARG 13 HH11 ARG 13 -10.625 7.803 -6.088 99 HH12 ARG 13 HH12 ARG 13 -11.017 9.125 -7.136 100 HH21 ARG 13 HH21 ARG 13 -10.747 7.245 -10.090 101 HH22 ARG 13 HH22 ARG 13 -11.085 8.806 -9.423 102 H GLY 14 H GLY 14 -5.986 3.912 -5.897 103 HA2 GLY 14 HA2 GLY 14 -5.614 6.413 -6.013 104 HA3 GLY 14 HA1 GLY 14 -6.035 6.395 -4.305 105 H GLU 15 H GLU 15 -4.686 3.776 -3.976 106 HA GLU 15 HA GLU 15 -2.021 4.828 -3.508 107 HB2 GLU 15 HB2 GLU 15 -3.321 2.214 -2.760 108 HB3 GLU 15 HB1 GLU 15 -1.694 2.678 -2.294 109 HG2 GLU 15 HG2 GLU 15 -2.501 4.441 -0.947 110 HG3 GLU 15 HG1 GLU 15 -4.132 4.276 -1.594 111 H ARG 16 H ARG 16 -0.203 4.219 -4.565 112 HA ARG 16 HA ARG 16 -0.555 2.597 -6.963 113 HB2 ARG 16 HB2 ARG 16 1.929 4.065 -6.065 114 HB3 ARG 16 HB1 ARG 16 1.562 3.478 -7.679 115 HG2 ARG 16 HG2 ARG 16 -0.158 5.133 -7.951 116 HG3 ARG 16 HG1 ARG 16 0.028 5.656 -6.274 117 HD2 ARG 16 HD2 ARG 16 2.391 6.262 -6.805 118 HD3 ARG 16 HD1 ARG 16 2.056 5.893 -8.494 119 HE ARG 16 HE ARG 16 1.412 8.282 -7.113 120 HH11 ARG 16 HH11 ARG 16 0.208 6.143 -9.612 121 HH12 ARG 16 HH12 ARG 16 -0.742 7.367 -10.385 122 HH21 ARG 16 HH21 ARG 16 0.171 9.906 -8.136 123 HH22 ARG 16 HH22 ARG 16 -0.762 9.516 -9.543 124 H VAL 17 H VAL 17 0.072 0.524 -7.055 125 HA VAL 17 HA VAL 17 1.225 -0.759 -4.787 126 HB VAL 17 HB VAL 17 -0.356 -1.946 -6.225 127 HG11 VAL 17 HG11 VAL 17 -0.146 -1.426 -8.414 128 HG12 VAL 17 HG21 VAL 17 0.866 -2.870 -8.422 129 HG13 VAL 17 3HG1 VAL 17 1.609 -1.273 -8.325 130 HG21 VAL 17 HG12 VAL 17 2.061 -3.559 -6.705 131 HG22 VAL 17 HG22 VAL 17 0.573 -3.962 -5.848 132 HG23 VAL 17 HG23 VAL 17 1.822 -3.009 -5.047 133 H ARG 18 H ARG 18 3.291 -1.333 -4.383 134 HA ARG 18 HA ARG 18 5.296 -0.496 -6.369 135 HB2 ARG 18 HB2 ARG 18 5.475 -0.652 -3.360 136 HB3 ARG 18 HB1 ARG 18 6.857 -0.348 -4.407 137 HG2 ARG 18 HG2 ARG 18 4.408 1.375 -4.096 138 HG3 ARG 18 HG1 ARG 18 6.048 1.737 -3.548 139 HD2 ARG 18 HD2 ARG 18 5.178 1.377 -6.414 140 HD3 ARG 18 HD1 ARG 18 5.518 2.919 -5.626 141 HE ARG 18 HE ARG 18 7.804 1.478 -5.285 142 HH11 ARG 18 HH11 ARG 18 5.879 2.329 -8.074 143 HH12 ARG 18 HH12 ARG 18 7.233 2.428 -9.148 144 HH21 ARG 18 HH21 ARG 18 9.606 1.601 -6.694 145 HH22 ARG 18 HH22 ARG 18 9.363 2.011 -8.359 146 H GLY 19 H GLY 19 4.319 -3.070 -4.212 147 HA2 GLY 19 HA2 GLY 19 5.345 -5.127 -5.767 148 HA3 GLY 19 HA1 GLY 19 6.583 -4.729 -4.581 149 H THR 20 H THR 20 6.340 -6.777 -3.578 150 HA THR 20 HA THR 20 3.841 -7.047 -2.042 151 HB THR 20 HB THR 20 4.481 -9.509 -1.911 152 HG1 THR 20 HG1 THR 20 6.618 -9.331 -2.686 153 HG21 THR 20 HG12 THR 20 2.714 -9.464 -3.292 154 HG22 THR 20 HG22 THR 20 3.890 -9.598 -4.600 155 HG23 THR 20 HG23 THR 20 3.287 -8.013 -4.115 156 H CYS 21 H CYS 21 3.975 -7.357 0.115 157 HA CYS 21 HA CYS 21 6.603 -6.963 1.328 158 HB2 CYS 21 HB2 CYS 21 3.836 -6.898 2.550 159 HB3 CYS 21 HB1 CYS 21 5.330 -6.572 3.420 160 H GLY 22 H GLY 22 3.946 -9.257 1.225 161 HA2 GLY 22 HA2 GLY 22 5.562 -11.482 1.749 162 HA3 GLY 22 HA1 GLY 22 4.812 -10.984 3.260 163 H ILE 23 H ILE 23 3.662 -12.974 3.305 164 HA ILE 23 HA ILE 23 1.974 -13.854 1.252 165 HB ILE 23 HB ILE 23 0.772 -15.121 3.075 166 HG12 ILE 23 HG21 ILE 23 2.968 -13.937 4.793 167 HG13 ILE 23 HG11 ILE 23 1.258 -13.541 4.919 168 HG21 ILE 23 HG12 ILE 23 2.852 -16.520 3.584 169 HG22 ILE 23 HG22 ILE 23 3.726 -15.341 2.605 170 HG23 ILE 23 HG23 ILE 23 2.417 -16.283 1.892 171 HD11 ILE 23 HD11 ILE 23 2.294 -16.334 5.277 172 HD12 ILE 23 HD12 ILE 23 0.723 -15.677 5.738 173 HD13 ILE 23 HD13 ILE 23 2.175 -15.178 6.604 174 H ARG 24 H ARG 24 0.331 -12.881 0.422 175 HA ARG 24 HA ARG 24 -1.583 -11.721 0.106 176 HB2 ARG 24 HB2 ARG 24 -2.340 -13.317 1.931 177 HB3 ARG 24 HB1 ARG 24 -2.091 -12.002 3.068 178 HG2 ARG 24 HG2 ARG 24 -4.414 -12.117 2.505 179 HG3 ARG 24 HG1 ARG 24 -3.732 -10.649 1.804 180 HD2 ARG 24 HD2 ARG 24 -5.189 -11.693 0.196 181 HD3 ARG 24 HD1 ARG 24 -3.524 -11.826 -0.361 182 HE ARG 24 HE ARG 24 -3.767 -14.085 -0.331 183 HH11 ARG 24 HH11 ARG 24 -6.166 -12.738 1.843 184 HH12 ARG 24 HH12 ARG 24 -6.863 -14.275 2.234 185 HH21 ARG 24 HH21 ARG 24 -4.694 -16.116 0.182 186 HH22 ARG 24 HH22 ARG 24 -6.022 -16.198 1.287 187 H PHE 25 H PHE 25 0.978 -10.349 1.061 188 HA PHE 25 HA PHE 25 -0.342 -7.800 1.727 189 HB2 PHE 25 HB2 PHE 25 2.123 -8.957 2.983 190 HB3 PHE 25 HB1 PHE 25 1.915 -7.212 2.857 191 HD1 PHE 25 HD2 PHE 25 -0.075 -10.188 3.949 192 HD2 PHE 25 HD1 PHE 25 1.043 -6.147 4.668 193 HE1 PHE 25 HE2 PHE 25 -1.417 -10.187 6.010 194 HE2 PHE 25 HE1 PHE 25 -0.287 -6.142 6.735 195 HZ PHE 25 HZ PHE 25 -1.525 -8.163 7.408 196 H LEU 26 H LEU 26 0.248 -6.077 0.617 197 HA LEU 26 HA LEU 26 2.502 -6.315 -1.265 198 HB2 LEU 26 HB2 LEU 26 -0.294 -5.340 -1.809 199 HB3 LEU 26 HB1 LEU 26 1.059 -4.855 -2.811 200 HG LEU 26 HG LEU 26 1.459 -7.390 -3.118 201 HD11 LEU 26 HD11 LEU 26 -0.210 -8.885 -2.668 202 HD12 LEU 26 HD12 LEU 26 -1.472 -7.653 -2.684 203 HD13 LEU 26 HD13 LEU 26 -0.392 -7.791 -1.297 204 HD21 LEU 26 HD21 LEU 26 -1.007 -6.833 -4.536 205 HD22 LEU 26 HD22 LEU 26 0.632 -7.041 -5.152 206 HD23 LEU 26 HD23 LEU 26 0.106 -5.465 -4.558 207 H TYR 27 H TYR 27 3.608 -4.397 -1.710 208 HA TYR 27 HA TYR 27 3.436 -2.414 0.388 209 HB2 TYR 27 HB2 TYR 27 5.582 -3.338 -0.760 210 HB3 TYR 27 HB1 TYR 27 5.202 -2.195 -2.043 211 HD1 TYR 27 HD2 TYR 27 4.854 -1.811 1.648 212 HD2 TYR 27 HD1 TYR 27 6.848 -0.563 -1.894 213 HE1 TYR 27 HE2 TYR 27 5.985 -0.036 2.920 214 HE2 TYR 27 HE1 TYR 27 7.988 1.214 -0.634 215 HH TYR 27 HH TYR 27 7.780 1.422 2.848 216 H CYS 28 H CYS 28 2.198 -0.618 0.268 217 HA CYS 28 HA CYS 28 1.353 0.243 -2.423 218 HB2 CYS 28 HB2 CYS 28 -0.223 0.520 0.142 219 HB3 CYS 28 HB1 CYS 28 -0.777 0.892 -1.487 220 H CYS 29 H CYS 29 1.527 2.321 -2.955 221 HA CYS 29 HA CYS 29 2.282 4.262 -0.875 222 HB2 CYS 29 HB2 CYS 29 3.531 3.939 -3.617 223 HB3 CYS 29 HB1 CYS 29 3.779 5.340 -2.583 224 HA PRO 30 HA PRO 30 -1.457 5.787 -2.970 225 HB2 PRO 30 HB2 PRO 30 -2.042 7.608 -1.014 226 HB3 PRO 30 HB1 PRO 30 -2.525 5.904 -0.972 227 HG2 PRO 30 HG2 PRO 30 -0.205 7.250 0.366 228 HG3 PRO 30 HG1 PRO 30 -1.318 6.029 1.013 229 HD2 PRO 30 HD2 PRO 30 1.145 5.387 0.148 230 HD3 PRO 30 HD1 PRO 30 -0.236 4.291 -0.064 231 H ARG 31 H ARG 31 -2.051 7.758 -3.917 232 HA ARG 31 HA ARG 31 0.064 9.255 -4.966 233 HB2 ARG 31 HB2 ARG 31 -1.887 10.849 -5.659 234 HB3 ARG 31 HB1 ARG 31 -1.752 9.249 -6.366 235 HG2 ARG 31 HG2 ARG 31 -4.014 9.470 -5.893 236 HG3 ARG 31 HG1 ARG 31 -3.401 8.508 -4.550 237 HD2 ARG 31 HD2 ARG 31 -3.353 11.411 -4.105 238 HD3 ARG 31 HD1 ARG 31 -4.964 10.728 -4.313 239 HE ARG 31 HE ARG 31 -3.260 10.458 -2.041 240 HH11 ARG 31 HH11 ARG 31 -5.775 8.813 -3.858 241 HH12 ARG 31 HH12 ARG 31 -6.236 7.799 -2.532 242 HH21 ARG 31 HH21 ARG 31 -3.847 9.134 -0.317 243 HH22 ARG 31 HH22 ARG 31 -5.143 7.982 -0.511 244 H ARG 32 H ARG 32 -1.618 9.637 -2.031 245 HA ARG 32 HA ARG 32 0.061 11.620 -1.016 246 HB2 ARG 32 HB2 ARG 32 -1.969 12.702 -2.666 247 HB3 ARG 32 HB1 ARG 32 -2.493 12.983 -1.012 248 HG2 ARG 32 HG2 ARG 32 0.057 13.912 -2.314 249 HG3 ARG 32 HG1 ARG 32 -1.283 14.901 -1.734 250 HD2 ARG 32 HD2 ARG 32 0.674 13.306 -0.093 251 HD3 ARG 32 HD1 ARG 32 0.481 15.058 -0.136 252 HE ARG 32 HE ARG 32 -1.107 13.139 1.334 253 HH11 ARG 32 HH11 ARG 32 -0.957 16.412 0.072 254 HH12 ARG 32 HH12 ARG 32 -2.230 16.998 1.085 255 HH21 ARG 32 HH21 ARG 32 -2.780 13.899 2.658 256 HH22 ARG 32 HH22 ARG 32 -3.278 15.557 2.572 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 12.016 9.929 2.160 2 H2 GLY 1 HT2 GLY 1 11.836 8.259 1.953 3 H3 GLY 1 HT3 GLY 1 10.664 9.139 2.801 4 HA2 GLY 1 HA1 GLY 1 10.745 10.422 0.420 5 HA3 GLY 1 HA2 GLY 1 10.956 8.731 -0.021 6 H LEU 2 H LEU 2 8.944 8.379 -0.902 7 HA LEU 2 HA LEU 2 6.533 9.209 0.372 8 HB2 LEU 2 HB2 LEU 2 6.814 8.794 -2.089 9 HB3 LEU 2 HB1 LEU 2 6.885 7.078 -1.737 10 HG LEU 2 HG LEU 2 4.595 7.170 -0.834 11 HD11 LEU 2 HD11 LEU 2 4.709 10.055 -1.707 12 HD12 LEU 2 HD12 LEU 2 4.554 9.457 -0.055 13 HD13 LEU 2 HD13 LEU 2 3.248 9.199 -1.212 14 HD21 LEU 2 HD21 LEU 2 4.947 6.606 -3.182 15 HD22 LEU 2 HD22 LEU 2 4.880 8.315 -3.611 16 HD23 LEU 2 HD23 LEU 2 3.449 7.511 -2.968 17 H LEU 3 H LEU 3 5.177 8.082 1.699 18 HA LEU 3 HA LEU 3 6.308 5.845 3.086 19 HB2 LEU 3 HB2 LEU 3 4.525 6.037 4.644 20 HB3 LEU 3 HB1 LEU 3 5.090 7.644 4.269 21 HG LEU 3 HG LEU 3 2.786 7.870 4.452 22 HD11 LEU 3 HD11 LEU 3 2.252 7.593 1.686 23 HD12 LEU 3 HD12 LEU 3 3.903 8.182 1.883 24 HD13 LEU 3 HD13 LEU 3 2.559 9.057 2.620 25 HD21 LEU 3 HD21 LEU 3 1.603 6.000 4.538 26 HD22 LEU 3 HD22 LEU 3 2.707 5.142 3.463 27 HD23 LEU 3 HD23 LEU 3 1.438 6.165 2.790 28 H CYS 4 H CYS 4 5.510 3.767 3.245 29 HA CYS 4 HA CYS 4 3.427 2.951 1.358 30 HB2 CYS 4 HB2 CYS 4 6.145 1.630 1.535 31 HB3 CYS 4 HB1 CYS 4 4.808 1.120 0.514 32 H TYR 5 H TYR 5 2.419 0.956 1.902 33 HA TYR 5 HA TYR 5 3.313 -0.458 4.252 34 HB2 TYR 5 HB2 TYR 5 0.984 -0.237 5.325 35 HB3 TYR 5 HB1 TYR 5 2.122 1.084 5.522 36 HD1 TYR 5 HD1 TYR 5 -0.315 0.189 2.802 37 HD2 TYR 5 HD2 TYR 5 1.014 3.069 5.636 38 HE1 TYR 5 HE1 TYR 5 -2.010 1.773 1.983 39 HE2 TYR 5 HE2 TYR 5 -0.672 4.659 4.824 40 HH TYR 5 HH TYR 5 -2.938 3.777 2.225 41 H CYS 6 H CYS 6 1.797 -2.300 4.772 42 HA CYS 6 HA CYS 6 1.325 -3.713 2.328 43 HB2 CYS 6 HB2 CYS 6 0.900 -4.523 5.205 44 HB3 CYS 6 HB1 CYS 6 0.748 -5.604 3.826 45 H GLY 7 H GLY 7 -0.434 -3.204 1.207 46 HA2 GLY 7 HA2 GLY 7 -2.952 -2.526 2.428 47 HA3 GLY 7 HA1 GLY 7 -2.639 -2.732 0.706 48 H LYS 8 H LYS 8 -4.755 -3.797 2.602 49 HA LYS 8 HA LYS 8 -4.290 -6.648 2.569 50 HB2 LYS 8 HB2 LYS 8 -6.787 -5.126 3.337 51 HB3 LYS 8 HB1 LYS 8 -6.451 -6.819 3.675 52 HG2 LYS 8 HG2 LYS 8 -4.927 -4.467 4.779 53 HG3 LYS 8 HG1 LYS 8 -6.127 -5.428 5.647 54 HD2 LYS 8 HD2 LYS 8 -4.727 -7.399 5.463 55 HD3 LYS 8 HD1 LYS 8 -3.554 -6.506 4.492 56 HE2 LYS 8 HE2 LYS 8 -2.796 -6.698 6.796 57 HE3 LYS 8 HE1 LYS 8 -3.126 -5.015 6.387 58 HZ1 LYS 8 HZ1 LYS 8 -3.997 -5.543 8.558 59 HZ2 LYS 8 HZ2 LYS 8 -4.908 -6.823 7.930 60 HZ3 LYS 8 HZ3 LYS 8 -5.280 -5.231 7.498 61 H GLY 9 H GLY 9 -4.449 -7.655 0.678 62 HA2 GLY 9 HA2 GLY 9 -5.504 -8.584 -1.150 63 HA3 GLY 9 HA1 GLY 9 -6.948 -7.684 -0.724 64 H HIS 10 H HIS 10 -5.868 -5.070 -0.830 65 HA HIS 10 HA HIS 10 -4.556 -4.597 -3.315 66 HB2 HIS 10 HB2 HIS 10 -6.420 -3.582 -4.537 67 HB3 HIS 10 HB1 HIS 10 -6.766 -5.273 -4.197 68 HD1 HIS 10 HD1 HIS 10 -7.655 -1.814 -2.872 69 HD2 HIS 10 HD2 HIS 10 -9.138 -5.707 -2.928 70 HE1 HIS 10 HE1 HIS 10 -9.938 -1.689 -1.822 71 HE2 HIS 10 HE2 HIS 10 -10.747 -4.072 -1.733 72 H CYS 11 H CYS 11 -4.491 -2.247 -3.808 73 HA CYS 11 HA CYS 11 -4.146 -0.764 -1.375 74 HB2 CYS 11 HB2 CYS 11 -3.920 0.254 -4.209 75 HB3 CYS 11 HB1 CYS 11 -3.216 0.966 -2.763 76 H LYS 12 H LYS 12 -5.014 1.392 -1.104 77 HA LYS 12 HA LYS 12 -7.869 1.467 -1.743 78 HB2 LYS 12 HB2 LYS 12 -7.183 1.730 0.607 79 HB3 LYS 12 HB1 LYS 12 -6.197 3.117 0.174 80 HG2 LYS 12 HG2 LYS 12 -8.150 4.394 -0.390 81 HG3 LYS 12 HG1 LYS 12 -9.186 2.989 -0.149 82 HD2 LYS 12 HD2 LYS 12 -9.323 4.463 1.770 83 HD3 LYS 12 HD1 LYS 12 -8.548 2.948 2.228 84 HE2 LYS 12 HE2 LYS 12 -6.839 5.244 1.395 85 HE3 LYS 12 HE1 LYS 12 -7.575 5.274 2.995 86 HZ1 LYS 12 HZ1 LYS 12 -5.475 3.529 1.936 87 HZ2 LYS 12 HZ2 LYS 12 -6.568 2.845 3.038 88 HZ3 LYS 12 HZ3 LYS 12 -5.657 4.197 3.484 89 H ARG 13 H ARG 13 -8.820 3.526 -2.489 90 HA ARG 13 HA ARG 13 -7.655 4.528 -4.786 91 HB2 ARG 13 HB2 ARG 13 -10.046 4.761 -4.243 92 HB3 ARG 13 HB1 ARG 13 -9.647 5.923 -2.986 93 HG2 ARG 13 HG2 ARG 13 -8.715 7.422 -4.713 94 HG3 ARG 13 HG1 ARG 13 -9.226 6.270 -5.947 95 HD2 ARG 13 HD2 ARG 13 -11.056 7.655 -3.987 96 HD3 ARG 13 HD1 ARG 13 -10.819 8.133 -5.667 97 HE ARG 13 HE ARG 13 -12.486 6.036 -4.695 98 HH11 ARG 13 HH11 ARG 13 -10.540 7.020 -7.435 99 HH12 ARG 13 HH12 ARG 13 -11.381 6.010 -8.563 100 HH21 ARG 13 HH21 ARG 13 -13.605 4.702 -6.181 101 HH22 ARG 13 HH22 ARG 13 -13.131 4.690 -7.848 102 H GLY 14 H GLY 14 -5.929 5.760 -5.100 103 HA2 GLY 14 HA2 GLY 14 -4.888 7.947 -4.753 104 HA3 GLY 14 HA1 GLY 14 -5.217 7.747 -3.037 105 H GLU 15 H GLU 15 -4.475 4.883 -3.198 106 HA GLU 15 HA GLU 15 -1.631 5.247 -2.776 107 HB2 GLU 15 HB2 GLU 15 -3.326 2.771 -2.466 108 HB3 GLU 15 HB1 GLU 15 -1.694 2.995 -1.861 109 HG2 GLU 15 HG2 GLU 15 -2.424 4.600 -0.275 110 HG3 GLU 15 HG1 GLU 15 -4.032 4.666 -0.995 111 H ARG 16 H ARG 16 -0.065 4.616 -4.138 112 HA ARG 16 HA ARG 16 -0.891 3.295 -6.619 113 HB2 ARG 16 HB2 ARG 16 0.417 5.455 -6.669 114 HB3 ARG 16 HB1 ARG 16 1.772 4.578 -5.976 115 HG2 ARG 16 HG2 ARG 16 0.642 3.371 -8.400 116 HG3 ARG 16 HG1 ARG 16 1.367 4.963 -8.627 117 HD2 ARG 16 HD2 ARG 16 3.389 4.060 -7.388 118 HD3 ARG 16 HD1 ARG 16 2.662 2.463 -7.560 119 HE ARG 16 HE ARG 16 3.947 4.029 -9.608 120 HH11 ARG 16 HH11 ARG 16 1.824 1.328 -8.946 121 HH12 ARG 16 HH12 ARG 16 1.884 0.716 -10.565 122 HH21 ARG 16 HH21 ARG 16 4.043 3.217 -11.745 123 HH22 ARG 16 HH22 ARG 16 3.154 1.790 -12.161 124 H VAL 17 H VAL 17 -0.553 1.196 -6.839 125 HA VAL 17 HA VAL 17 0.711 -0.370 -4.875 126 HB VAL 17 HB VAL 17 -1.050 -1.306 -6.253 127 HG11 VAL 17 HG11 VAL 17 0.320 -0.114 -8.386 128 HG12 VAL 17 HG21 VAL 17 -1.172 -1.053 -8.452 129 HG13 VAL 17 3HG1 VAL 17 0.384 -1.852 -8.677 130 HG21 VAL 17 HG12 VAL 17 0.151 -3.404 -7.054 131 HG22 VAL 17 HG22 VAL 17 0.329 -2.974 -5.354 132 HG23 VAL 17 HG23 VAL 17 1.633 -2.632 -6.491 133 H ARG 18 H ARG 18 2.730 -1.070 -4.634 134 HA ARG 18 HA ARG 18 4.722 -0.202 -6.614 135 HB2 ARG 18 HB2 ARG 18 5.037 0.608 -4.312 136 HB3 ARG 18 HB1 ARG 18 5.063 -1.050 -3.727 137 HG2 ARG 18 HG2 ARG 18 7.302 -0.468 -3.807 138 HG3 ARG 18 HG1 ARG 18 7.062 -1.361 -5.308 139 HD2 ARG 18 HD2 ARG 18 8.358 0.582 -5.806 140 HD3 ARG 18 HD1 ARG 18 6.743 0.821 -6.472 141 HE ARG 18 HE ARG 18 6.531 2.643 -5.128 142 HH11 ARG 18 HH11 ARG 18 8.998 0.585 -3.728 143 HH12 ARG 18 HH12 ARG 18 9.350 1.672 -2.427 144 HH21 ARG 18 HH21 ARG 18 7.007 4.083 -3.415 145 HH22 ARG 18 HH22 ARG 18 8.208 3.658 -2.244 146 H GLY 19 H GLY 19 3.713 -2.968 -4.666 147 HA2 GLY 19 HA2 GLY 19 4.056 -4.945 -6.531 148 HA3 GLY 19 HA1 GLY 19 5.636 -4.772 -5.775 149 H THR 20 H THR 20 5.801 -6.541 -4.495 150 HA THR 20 HA THR 20 3.523 -7.378 -2.896 151 HB THR 20 HB THR 20 5.188 -9.170 -2.128 152 HG1 THR 20 HG1 THR 20 7.110 -8.188 -2.813 153 HG21 THR 20 HG12 THR 20 5.092 -9.895 -4.841 154 HG22 THR 20 HG22 THR 20 3.675 -8.882 -4.561 155 HG23 THR 20 HG23 THR 20 3.938 -10.321 -3.576 156 H CYS 21 H CYS 21 3.398 -7.232 -0.690 157 HA CYS 21 HA CYS 21 5.436 -5.538 0.593 158 HB2 CYS 21 HB2 CYS 21 2.952 -4.867 0.532 159 HB3 CYS 21 HB1 CYS 21 2.704 -6.151 1.710 160 H GLY 22 H GLY 22 3.517 -8.467 1.014 161 HA2 GLY 22 HA2 GLY 22 5.584 -9.894 2.274 162 HA3 GLY 22 HA1 GLY 22 4.492 -9.270 3.506 163 H ILE 23 H ILE 23 3.998 -11.517 3.989 164 HA ILE 23 HA ILE 23 2.875 -13.265 2.101 165 HB ILE 23 HB ILE 23 1.852 -14.421 4.099 166 HG12 ILE 23 HG21 ILE 23 3.470 -12.362 5.624 167 HG13 ILE 23 HG11 ILE 23 1.711 -12.413 5.553 168 HG21 ILE 23 HG12 ILE 23 4.812 -13.884 3.975 169 HG22 ILE 23 HG22 ILE 23 3.918 -15.197 3.209 170 HG23 ILE 23 HG23 ILE 23 4.088 -15.152 4.963 171 HD11 ILE 23 HD11 ILE 23 1.613 -13.922 7.175 172 HD12 ILE 23 HD12 ILE 23 3.327 -13.610 7.443 173 HD13 ILE 23 HD13 ILE 23 2.826 -14.943 6.403 174 H ARG 24 H ARG 24 1.176 -12.878 0.953 175 HA ARG 24 HA ARG 24 -0.903 -12.303 0.257 176 HB2 ARG 24 HB2 ARG 24 -1.554 -12.659 3.187 177 HB3 ARG 24 HB1 ARG 24 -2.757 -12.425 1.929 178 HG2 ARG 24 HG2 ARG 24 -0.820 -14.726 2.080 179 HG3 ARG 24 HG1 ARG 24 -2.517 -14.776 2.562 180 HD2 ARG 24 HD2 ARG 24 -3.139 -14.153 0.240 181 HD3 ARG 24 HD1 ARG 24 -1.438 -14.258 -0.207 182 HE ARG 24 HE ARG 24 -3.263 -16.413 0.069 183 HH11 ARG 24 HH11 ARG 24 0.106 -15.577 0.543 184 HH12 ARG 24 HH12 ARG 24 0.667 -17.210 0.407 185 HH21 ARG 24 HH21 ARG 24 -2.528 -18.573 -0.111 186 HH22 ARG 24 HH22 ARG 24 -0.837 -18.919 0.037 187 H PHE 25 H PHE 25 1.011 -10.214 1.116 188 HA PHE 25 HA PHE 25 -0.959 -8.076 1.612 189 HB2 PHE 25 HB2 PHE 25 1.908 -8.179 2.567 190 HB3 PHE 25 HB1 PHE 25 0.843 -6.785 2.709 191 HD1 PHE 25 HD2 PHE 25 -1.669 -7.984 3.586 192 HD2 PHE 25 HD1 PHE 25 2.333 -8.891 4.713 193 HE1 PHE 25 HE2 PHE 25 -2.473 -8.825 5.753 194 HE2 PHE 25 HE1 PHE 25 1.536 -9.732 6.883 195 HZ PHE 25 HZ PHE 25 -0.872 -9.698 7.407 196 H LEU 26 H LEU 26 -0.895 -6.329 0.342 197 HA LEU 26 HA LEU 26 0.936 -6.430 -1.955 198 HB2 LEU 26 HB2 LEU 26 -1.584 -6.345 -2.242 199 HB3 LEU 26 HB1 LEU 26 -1.523 -4.714 -1.604 200 HG LEU 26 HG LEU 26 -0.036 -4.079 -3.500 201 HD11 LEU 26 HD11 LEU 26 -0.693 -6.861 -4.457 202 HD12 LEU 26 HD12 LEU 26 0.901 -6.242 -4.027 203 HD13 LEU 26 HD13 LEU 26 0.056 -5.603 -5.437 204 HD21 LEU 26 HD21 LEU 26 -1.798 -3.661 -4.909 205 HD22 LEU 26 HD22 LEU 26 -2.658 -4.043 -3.418 206 HD23 LEU 26 HD23 LEU 26 -2.502 -5.262 -4.682 207 H TYR 27 H TYR 27 2.395 -4.784 -2.351 208 HA TYR 27 HA TYR 27 2.871 -2.935 -0.172 209 HB2 TYR 27 HB2 TYR 27 4.605 -4.191 -1.716 210 HB3 TYR 27 HB1 TYR 27 4.339 -2.816 -2.781 211 HD1 TYR 27 HD1 TYR 27 4.329 -2.610 0.905 212 HD2 TYR 27 HD2 TYR 27 6.534 -1.910 -2.660 213 HE1 TYR 27 HE1 TYR 27 5.987 -1.328 2.191 214 HE2 TYR 27 HE2 TYR 27 8.198 -0.625 -1.388 215 HH TYR 27 HH TYR 27 8.212 -0.555 2.072 216 H CYS 28 H CYS 28 1.746 -1.092 -0.044 217 HA CYS 28 HA CYS 28 1.019 0.238 -2.572 218 HB2 CYS 28 HB2 CYS 28 -0.573 0.175 -0.002 219 HB3 CYS 28 HB1 CYS 28 -1.042 0.991 -1.491 220 H CYS 29 H CYS 29 1.436 2.343 -2.783 221 HA CYS 29 HA CYS 29 2.385 3.832 -0.424 222 HB2 CYS 29 HB2 CYS 29 3.527 4.144 -3.204 223 HB3 CYS 29 HB1 CYS 29 4.151 4.816 -1.703 224 HA PRO 30 HA PRO 30 -1.051 6.193 -2.229 225 HB2 PRO 30 HB2 PRO 30 -1.529 7.692 -0.017 226 HB3 PRO 30 HB1 PRO 30 -2.151 6.051 -0.251 227 HG2 PRO 30 HG2 PRO 30 0.216 6.976 1.330 228 HG3 PRO 30 HG1 PRO 30 -0.999 5.752 1.744 229 HD2 PRO 30 HD2 PRO 30 1.470 5.123 0.803 230 HD3 PRO 30 HD1 PRO 30 0.037 4.122 0.493 231 H ARG 31 H ARG 31 -1.130 8.106 -3.205 232 HA ARG 31 HA ARG 31 0.985 10.046 -2.564 233 HB2 ARG 31 HB2 ARG 31 1.458 8.957 -4.716 234 HB3 ARG 31 HB1 ARG 31 -0.128 9.430 -5.310 235 HG2 ARG 31 HG2 ARG 31 1.428 10.952 -6.231 236 HG3 ARG 31 HG1 ARG 31 0.562 11.822 -4.968 237 HD2 ARG 31 HD2 ARG 31 3.312 10.599 -4.710 238 HD3 ARG 31 HD1 ARG 31 2.967 12.309 -4.935 239 HE ARG 31 HE ARG 31 2.972 10.890 -2.492 240 HH11 ARG 31 HH11 ARG 31 1.232 13.470 -4.123 241 HH12 ARG 31 HH12 ARG 31 0.658 14.177 -2.650 242 HH21 ARG 31 HH21 ARG 31 2.220 11.839 -0.563 243 HH22 ARG 31 HH22 ARG 31 1.182 13.226 -0.624 244 H ARG 32 H ARG 32 -0.622 10.860 -1.116 245 HA ARG 32 HA ARG 32 -2.315 12.839 -2.430 246 HB2 ARG 32 HB2 ARG 32 -3.818 10.974 -1.868 247 HB3 ARG 32 HB1 ARG 32 -3.244 11.001 -0.205 248 HG2 ARG 32 HG2 ARG 32 -4.053 13.509 -0.339 249 HG3 ARG 32 HG1 ARG 32 -5.083 12.856 -1.614 250 HD2 ARG 32 HD2 ARG 32 -6.115 12.880 0.666 251 HD3 ARG 32 HD1 ARG 32 -6.087 11.303 -0.118 252 HE ARG 32 HE ARG 32 -4.955 10.566 1.699 253 HH11 ARG 32 HH11 ARG 32 -4.048 13.932 1.258 254 HH12 ARG 32 HH12 ARG 32 -2.973 13.946 2.613 255 HH21 ARG 32 HH21 ARG 32 -3.546 10.607 3.498 256 HH22 ARG 32 HH22 ARG 32 -2.697 12.063 3.890 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 3.359 12.485 -0.273 2 H2 GLY 1 HT2 GLY 1 2.408 12.483 1.125 3 H3 GLY 1 HT3 GLY 1 2.451 11.115 0.129 4 HA2 GLY 1 HA1 GLY 1 5.052 11.911 1.036 5 HA3 GLY 1 HA2 GLY 1 3.958 11.484 2.347 6 H LEU 2 H LEU 2 6.344 10.070 1.319 7 HA LEU 2 HA LEU 2 5.378 7.738 -0.045 8 HB2 LEU 2 HB2 LEU 2 7.647 6.870 0.214 9 HB3 LEU 2 HB1 LEU 2 7.644 8.489 -0.448 10 HG LEU 2 HG LEU 2 8.113 8.030 2.488 11 HD11 LEU 2 HD11 LEU 2 10.496 7.953 2.065 12 HD12 LEU 2 HD12 LEU 2 10.217 8.041 0.327 13 HD13 LEU 2 HD13 LEU 2 9.696 6.621 1.233 14 HD21 LEU 2 HD21 LEU 2 9.397 10.135 2.239 15 HD22 LEU 2 HD22 LEU 2 7.689 10.316 1.835 16 HD23 LEU 2 HD23 LEU 2 8.892 10.209 0.551 17 H LEU 3 H LEU 3 3.762 7.886 2.033 18 HA LEU 3 HA LEU 3 4.726 6.328 4.268 19 HB2 LEU 3 HB2 LEU 3 3.048 8.175 4.495 20 HB3 LEU 3 HB1 LEU 3 1.901 7.181 3.619 21 HG LEU 3 HG LEU 3 2.028 5.486 5.423 22 HD11 LEU 3 HD11 LEU 3 3.006 6.452 7.622 23 HD12 LEU 3 HD12 LEU 3 3.968 7.463 6.544 24 HD13 LEU 3 HD13 LEU 3 4.088 5.707 6.445 25 HD21 LEU 3 HD21 LEU 3 1.364 8.168 6.597 26 HD22 LEU 3 HD22 LEU 3 0.589 6.611 6.894 27 HD23 LEU 3 HD23 LEU 3 0.374 7.422 5.343 28 H CYS 4 H CYS 4 5.299 4.767 2.341 29 HA CYS 4 HA CYS 4 3.251 3.123 1.293 30 HB2 CYS 4 HB2 CYS 4 6.170 2.444 1.668 31 HB3 CYS 4 HB1 CYS 4 5.041 1.655 0.573 32 H TYR 5 H TYR 5 2.417 1.199 1.959 33 HA TYR 5 HA TYR 5 3.494 -0.109 4.316 34 HB2 TYR 5 HB2 TYR 5 1.281 -0.109 5.482 35 HB3 TYR 5 HB1 TYR 5 2.056 1.466 5.406 36 HD1 TYR 5 HD1 TYR 5 -0.365 -0.546 3.356 37 HD2 TYR 5 HD2 TYR 5 0.684 3.249 4.969 38 HE1 TYR 5 HE1 TYR 5 -2.421 0.416 2.414 39 HE2 TYR 5 HE2 TYR 5 -1.369 4.219 4.031 40 HH TYR 5 HH TYR 5 -3.072 2.993 1.676 41 H CYS 6 H CYS 6 1.980 -2.056 4.882 42 HA CYS 6 HA CYS 6 1.773 -3.579 2.447 43 HB2 CYS 6 HB2 CYS 6 1.353 -4.327 5.341 44 HB3 CYS 6 HB1 CYS 6 1.218 -5.465 4.006 45 H GLY 7 H GLY 7 0.018 -3.506 1.243 46 HA2 GLY 7 HA2 GLY 7 -2.586 -2.891 2.361 47 HA3 GLY 7 HA1 GLY 7 -2.208 -3.151 0.660 48 H LYS 8 H LYS 8 -4.087 -4.351 2.885 49 HA LYS 8 HA LYS 8 -3.421 -7.122 2.903 50 HB2 LYS 8 HB2 LYS 8 -5.979 -5.690 3.636 51 HB3 LYS 8 HB1 LYS 8 -5.684 -7.402 3.910 52 HG2 LYS 8 HG2 LYS 8 -3.833 -6.861 5.396 53 HG3 LYS 8 HG1 LYS 8 -4.088 -5.140 5.100 54 HD2 LYS 8 HD2 LYS 8 -6.162 -6.981 6.286 55 HD3 LYS 8 HD1 LYS 8 -5.071 -5.974 7.239 56 HE2 LYS 8 HE2 LYS 8 -7.026 -4.951 5.181 57 HE3 LYS 8 HE1 LYS 8 -7.301 -4.955 6.922 58 HZ1 LYS 8 HZ1 LYS 8 -6.008 -3.014 5.404 59 HZ2 LYS 8 HZ2 LYS 8 -4.827 -3.730 6.379 60 HZ3 LYS 8 HZ3 LYS 8 -6.207 -3.054 7.084 61 H GLY 9 H GLY 9 -3.343 -8.102 0.972 62 HA2 GLY 9 HA2 GLY 9 -4.207 -9.250 -0.823 63 HA3 GLY 9 HA1 GLY 9 -5.805 -8.707 -0.347 64 H HIS 10 H HIS 10 -5.093 -5.863 -0.489 65 HA HIS 10 HA HIS 10 -4.203 -5.273 -3.133 66 HB2 HIS 10 HB2 HIS 10 -6.302 -4.548 -4.109 67 HB3 HIS 10 HB1 HIS 10 -6.446 -6.238 -3.641 68 HD1 HIS 10 HD1 HIS 10 -7.460 -6.321 -0.927 69 HD2 HIS 10 HD2 HIS 10 -8.562 -3.231 -3.481 70 HE1 HIS 10 HE1 HIS 10 -9.602 -5.401 0.014 71 HE2 HIS 10 HE2 HIS 10 -10.173 -3.447 -1.469 72 H CYS 11 H CYS 11 -4.102 -3.035 -3.527 73 HA CYS 11 HA CYS 11 -3.938 -1.448 -1.138 74 HB2 CYS 11 HB2 CYS 11 -3.487 -0.658 -4.020 75 HB3 CYS 11 HB1 CYS 11 -3.038 0.289 -2.608 76 H LYS 12 H LYS 12 -4.803 0.779 -1.139 77 HA LYS 12 HA LYS 12 -7.655 0.731 -1.571 78 HB2 LYS 12 HB2 LYS 12 -6.528 1.732 0.435 79 HB3 LYS 12 HB1 LYS 12 -5.875 2.981 -0.610 80 HG2 LYS 12 HG2 LYS 12 -8.317 3.488 -1.197 81 HG3 LYS 12 HG1 LYS 12 -8.710 2.524 0.228 82 HD2 LYS 12 HD2 LYS 12 -7.055 5.045 0.113 83 HD3 LYS 12 HD1 LYS 12 -8.624 4.829 0.885 84 HE2 LYS 12 HE2 LYS 12 -7.231 4.715 2.706 85 HE3 LYS 12 HE1 LYS 12 -7.347 3.009 2.278 86 HZ1 LYS 12 HZ1 LYS 12 -5.072 4.820 2.085 87 HZ2 LYS 12 HZ2 LYS 12 -5.233 3.705 0.828 88 HZ3 LYS 12 HZ3 LYS 12 -5.105 3.165 2.425 89 H ARG 13 H ARG 13 -8.807 2.058 -2.973 90 HA ARG 13 HA ARG 13 -7.628 2.665 -5.463 91 HB2 ARG 13 HB2 ARG 13 -9.850 3.796 -5.923 92 HB3 ARG 13 HB1 ARG 13 -9.925 2.099 -5.472 93 HG2 ARG 13 HG2 ARG 13 -10.659 2.638 -3.268 94 HG3 ARG 13 HG1 ARG 13 -10.360 4.358 -3.532 95 HD2 ARG 13 HD2 ARG 13 -12.373 2.696 -5.042 96 HD3 ARG 13 HD1 ARG 13 -12.752 3.758 -3.686 97 HE ARG 13 HE ARG 13 -11.389 5.266 -5.598 98 HH11 ARG 13 HH11 ARG 13 -14.438 3.584 -5.263 99 HH12 ARG 13 HH12 ARG 13 -15.290 4.635 -6.344 100 HH21 ARG 13 HH21 ARG 13 -12.505 6.664 -7.030 101 HH22 ARG 13 HH22 ARG 13 -14.185 6.394 -7.354 102 H GLY 14 H GLY 14 -5.861 3.977 -4.595 103 HA2 GLY 14 HA2 GLY 14 -6.107 6.678 -5.230 104 HA3 GLY 14 HA1 GLY 14 -6.252 6.543 -3.482 105 H GLU 15 H GLU 15 -4.464 4.127 -3.520 106 HA GLU 15 HA GLU 15 -1.966 5.649 -3.630 107 HB2 GLU 15 HB2 GLU 15 -1.050 3.697 -2.305 108 HB3 GLU 15 HB1 GLU 15 -2.216 4.726 -1.498 109 HG2 GLU 15 HG2 GLU 15 -3.788 2.775 -2.602 110 HG3 GLU 15 HG1 GLU 15 -2.327 1.899 -2.144 111 H ARG 16 H ARG 16 -0.039 4.630 -4.401 112 HA ARG 16 HA ARG 16 -0.593 3.100 -6.830 113 HB2 ARG 16 HB2 ARG 16 1.966 4.424 -5.914 114 HB3 ARG 16 HB1 ARG 16 1.713 3.656 -7.473 115 HG2 ARG 16 HG2 ARG 16 -0.114 5.334 -7.883 116 HG3 ARG 16 HG1 ARG 16 0.440 6.168 -6.429 117 HD2 ARG 16 HD2 ARG 16 2.057 5.604 -8.912 118 HD3 ARG 16 HD1 ARG 16 1.442 7.172 -8.394 119 HE ARG 16 HE ARG 16 3.005 6.231 -6.317 120 HH11 ARG 16 HH11 ARG 16 3.469 7.031 -9.690 121 HH12 ARG 16 HH12 ARG 16 5.121 7.513 -9.491 122 HH21 ARG 16 HH21 ARG 16 5.197 6.867 -6.038 123 HH22 ARG 16 HH22 ARG 16 6.107 7.421 -7.406 124 H VAL 17 H VAL 17 0.129 1.074 -7.204 125 HA VAL 17 HA VAL 17 1.087 -0.441 -4.934 126 HB VAL 17 HB VAL 17 0.609 -1.407 -7.761 127 HG11 VAL 17 HG11 VAL 17 1.730 -2.662 -5.492 128 HG12 VAL 17 HG21 VAL 17 1.323 -3.382 -7.050 129 HG13 VAL 17 3HG1 VAL 17 0.134 -3.368 -5.748 130 HG21 VAL 17 HG12 VAL 17 -1.586 -1.343 -7.426 131 HG22 VAL 17 HG22 VAL 17 -1.293 -0.447 -5.935 132 HG23 VAL 17 HG23 VAL 17 -1.421 -2.206 -5.897 133 H ARG 18 H ARG 18 3.176 -0.642 -4.504 134 HA ARG 18 HA ARG 18 5.145 0.009 -6.542 135 HB2 ARG 18 HB2 ARG 18 5.415 1.000 -4.329 136 HB3 ARG 18 HB1 ARG 18 5.459 -0.599 -3.597 137 HG2 ARG 18 HG2 ARG 18 7.688 0.331 -3.764 138 HG3 ARG 18 HG1 ARG 18 7.532 -1.092 -4.797 139 HD2 ARG 18 HD2 ARG 18 7.120 0.429 -6.723 140 HD3 ARG 18 HD1 ARG 18 7.452 1.797 -5.660 141 HE ARG 18 HE ARG 18 9.678 1.375 -5.880 142 HH11 ARG 18 HH11 ARG 18 7.922 -1.493 -6.898 143 HH12 ARG 18 HH12 ARG 18 9.353 -2.338 -7.395 144 HH21 ARG 18 HH21 ARG 18 11.560 0.252 -6.539 145 HH22 ARG 18 HH22 ARG 18 11.422 -1.346 -7.191 146 H GLY 19 H GLY 19 4.057 -2.725 -4.637 147 HA2 GLY 19 HA2 GLY 19 4.657 -4.725 -6.376 148 HA3 GLY 19 HA1 GLY 19 6.172 -4.467 -5.520 149 H THR 20 H THR 20 6.314 -6.236 -4.257 150 HA THR 20 HA THR 20 3.997 -7.137 -2.747 151 HB THR 20 HB THR 20 5.698 -8.899 -1.949 152 HG1 THR 20 HG1 THR 20 7.618 -7.952 -2.576 153 HG21 THR 20 HG12 THR 20 4.343 -9.953 -3.401 154 HG22 THR 20 HG22 THR 20 5.665 -9.758 -4.551 155 HG23 THR 20 HG23 THR 20 4.340 -8.595 -4.526 156 H CYS 21 H CYS 21 3.836 -7.085 -0.525 157 HA CYS 21 HA CYS 21 5.867 -5.453 0.862 158 HB2 CYS 21 HB2 CYS 21 3.448 -4.582 0.613 159 HB3 CYS 21 HB1 CYS 21 3.026 -5.813 1.798 160 H GLY 22 H GLY 22 3.716 -8.241 1.106 161 HA2 GLY 22 HA2 GLY 22 5.574 -9.764 2.585 162 HA3 GLY 22 HA1 GLY 22 4.357 -9.108 3.673 163 H ILE 23 H ILE 23 3.705 -11.321 4.080 164 HA ILE 23 HA ILE 23 2.778 -13.033 2.050 165 HB ILE 23 HB ILE 23 1.467 -14.156 3.889 166 HG12 ILE 23 HG21 ILE 23 2.915 -12.141 5.627 167 HG13 ILE 23 HG11 ILE 23 1.183 -12.147 5.319 168 HG21 ILE 23 HG12 ILE 23 4.184 -14.140 3.295 169 HG22 ILE 23 HG22 ILE 23 3.294 -15.393 4.159 170 HG23 ILE 23 HG23 ILE 23 4.106 -14.111 5.057 171 HD11 ILE 23 HD11 ILE 23 0.905 -14.191 6.499 172 HD12 ILE 23 HD12 ILE 23 1.874 -13.117 7.507 173 HD13 ILE 23 HD13 ILE 23 2.649 -14.427 6.616 174 H ARG 24 H ARG 24 1.249 -12.592 0.694 175 HA ARG 24 HA ARG 24 -0.686 -11.905 -0.263 176 HB2 ARG 24 HB2 ARG 24 -1.727 -12.285 2.548 177 HB3 ARG 24 HB1 ARG 24 -2.749 -11.967 1.155 178 HG2 ARG 24 HG2 ARG 24 -1.947 -14.042 0.114 179 HG3 ARG 24 HG1 ARG 24 -0.972 -14.365 1.549 180 HD2 ARG 24 HD2 ARG 24 -3.073 -15.610 1.607 181 HD3 ARG 24 HD1 ARG 24 -2.990 -14.436 2.917 182 HE ARG 24 HE ARG 24 -4.838 -13.428 2.060 183 HH11 ARG 24 HH11 ARG 24 -3.399 -15.356 -0.485 184 HH12 ARG 24 HH12 ARG 24 -4.638 -14.995 -1.640 185 HH21 ARG 24 HH21 ARG 24 -6.481 -12.950 0.538 186 HH22 ARG 24 HH22 ARG 24 -6.395 -13.622 -1.055 187 H PHE 25 H PHE 25 1.187 -9.943 0.922 188 HA PHE 25 HA PHE 25 -0.711 -7.702 1.167 189 HB2 PHE 25 HB2 PHE 25 1.963 -7.989 2.547 190 HB3 PHE 25 HB1 PHE 25 0.973 -6.533 2.549 191 HD1 PHE 25 HD1 PHE 25 -1.717 -7.692 2.961 192 HD2 PHE 25 HD2 PHE 25 2.018 -8.635 4.768 193 HE1 PHE 25 HE1 PHE 25 -2.894 -8.500 4.964 194 HE2 PHE 25 HE2 PHE 25 0.847 -9.447 6.774 195 HZ PHE 25 HZ PHE 25 -1.612 -9.380 6.874 196 H LEU 26 H LEU 26 -0.367 -5.977 -0.052 197 HA LEU 26 HA LEU 26 1.877 -6.091 -1.954 198 HB2 LEU 26 HB2 LEU 26 -0.866 -4.868 -2.125 199 HB3 LEU 26 HB1 LEU 26 0.420 -4.362 -3.202 200 HG LEU 26 HG LEU 26 0.621 -6.774 -3.928 201 HD11 LEU 26 HD11 LEU 26 -2.097 -7.088 -2.681 202 HD12 LEU 26 HD12 LEU 26 -0.616 -7.653 -1.907 203 HD13 LEU 26 HD13 LEU 26 -1.105 -8.317 -3.466 204 HD21 LEU 26 HD21 LEU 26 -1.054 -4.736 -4.764 205 HD22 LEU 26 HD22 LEU 26 -2.100 -6.155 -4.702 206 HD23 LEU 26 HD23 LEU 26 -0.627 -6.187 -5.672 207 H TYR 27 H TYR 27 3.147 -4.249 -2.309 208 HA TYR 27 HA TYR 27 3.315 -2.476 -0.032 209 HB2 TYR 27 HB2 TYR 27 5.239 -3.462 -1.578 210 HB3 TYR 27 HB1 TYR 27 4.892 -2.024 -2.532 211 HD1 TYR 27 HD1 TYR 27 4.767 -2.295 1.162 212 HD2 TYR 27 HD2 TYR 27 6.881 -0.794 -2.209 213 HE1 TYR 27 HE1 TYR 27 6.207 -0.982 2.659 214 HE2 TYR 27 HE2 TYR 27 8.327 0.525 -0.722 215 HH TYR 27 HH TYR 27 7.789 0.590 2.781 216 H CYS 28 H CYS 28 1.849 -0.904 0.090 217 HA CYS 28 HA CYS 28 1.008 0.428 -2.396 218 HB2 CYS 28 HB2 CYS 28 -0.412 0.488 0.265 219 HB3 CYS 28 HB1 CYS 28 -1.059 0.924 -1.314 220 H CYS 29 H CYS 29 1.402 2.538 -2.699 221 HA CYS 29 HA CYS 29 2.356 4.097 -0.382 222 HB2 CYS 29 HB2 CYS 29 3.288 4.372 -3.250 223 HB3 CYS 29 HB1 CYS 29 3.880 5.288 -1.869 224 HA PRO 30 HA PRO 30 -1.358 6.335 -1.665 225 HB2 PRO 30 HB2 PRO 30 -1.368 8.005 0.497 226 HB3 PRO 30 HB1 PRO 30 -2.036 6.370 0.507 227 HG2 PRO 30 HG2 PRO 30 0.610 7.345 1.499 228 HG3 PRO 30 HG1 PRO 30 -0.497 6.170 2.232 229 HD2 PRO 30 HD2 PRO 30 1.713 5.419 0.873 230 HD3 PRO 30 HD1 PRO 30 0.223 4.453 0.871 231 H ARG 31 H ARG 31 -1.721 8.220 -2.689 232 HA ARG 31 HA ARG 31 -0.095 10.543 -2.345 233 HB2 ARG 31 HB2 ARG 31 1.314 9.032 -3.853 234 HB3 ARG 31 HB1 ARG 31 0.073 9.273 -5.078 235 HG2 ARG 31 HG2 ARG 31 0.559 11.832 -4.358 236 HG3 ARG 31 HG1 ARG 31 2.147 11.112 -4.098 237 HD2 ARG 31 HD2 ARG 31 2.081 11.947 -6.330 238 HD3 ARG 31 HD1 ARG 31 2.021 10.187 -6.415 239 HE ARG 31 HE ARG 31 -0.608 10.941 -6.436 240 HH11 ARG 31 HH11 ARG 31 2.173 11.814 -8.392 241 HH12 ARG 31 HH12 ARG 31 1.237 12.069 -9.824 242 HH21 ARG 31 HH21 ARG 31 -1.831 11.266 -8.277 243 HH22 ARG 31 HH22 ARG 31 -1.065 11.758 -9.764 244 H ARG 32 H ARG 32 -2.427 8.779 -4.303 245 HA ARG 32 HA ARG 32 -4.432 9.352 -5.182 246 HB2 ARG 32 HB2 ARG 32 -3.964 11.845 -3.568 247 HB3 ARG 32 HB1 ARG 32 -5.332 11.713 -4.663 248 HG2 ARG 32 HG2 ARG 32 -6.023 9.659 -3.421 249 HG3 ARG 32 HG1 ARG 32 -4.751 10.018 -2.249 250 HD2 ARG 32 HD2 ARG 32 -7.032 10.851 -1.620 251 HD3 ARG 32 HD1 ARG 32 -5.771 12.085 -1.655 252 HE ARG 32 HE ARG 32 -6.959 12.061 -4.165 253 HH11 ARG 32 HH11 ARG 32 -7.895 12.761 -0.868 254 HH12 ARG 32 HH12 ARG 32 -9.086 13.936 -1.315 255 HH21 ARG 32 HH21 ARG 32 -8.523 13.611 -4.769 256 HH22 ARG 32 HH22 ARG 32 -9.447 14.422 -3.547 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 2.395 11.718 1.371 2 H2 GLY 1 HT2 GLY 1 2.398 13.406 1.236 3 H3 GLY 1 HT3 GLY 1 2.352 12.679 2.763 4 HA2 GLY 1 HA1 GLY 1 4.603 13.192 1.027 5 HA3 GLY 1 HA2 GLY 1 4.552 13.027 2.778 6 H LEU 2 H LEU 2 6.267 11.601 2.984 7 HA LEU 2 HA LEU 2 6.418 9.220 1.381 8 HB2 LEU 2 HB2 LEU 2 8.432 10.385 2.252 9 HB3 LEU 2 HB1 LEU 2 7.951 9.948 3.881 10 HG LEU 2 HG LEU 2 8.173 7.551 3.273 11 HD11 LEU 2 HD11 LEU 2 9.667 8.309 0.817 12 HD12 LEU 2 HD12 LEU 2 7.908 8.220 0.739 13 HD13 LEU 2 HD13 LEU 2 8.841 6.803 1.222 14 HD21 LEU 2 HD21 LEU 2 10.788 8.742 2.550 15 HD22 LEU 2 HD22 LEU 2 10.392 7.517 3.756 16 HD23 LEU 2 HD23 LEU 2 10.076 9.220 4.091 17 H LEU 3 H LEU 3 4.250 8.482 1.890 18 HA LEU 3 HA LEU 3 4.161 7.007 4.439 19 HB2 LEU 3 HB2 LEU 3 2.536 9.006 4.078 20 HB3 LEU 3 HB1 LEU 3 1.711 7.942 2.960 21 HG LEU 3 HG LEU 3 2.172 7.230 5.858 22 HD11 LEU 3 HD11 LEU 3 -0.149 7.905 6.240 23 HD12 LEU 3 HD12 LEU 3 -0.240 8.518 4.589 24 HD13 LEU 3 HD13 LEU 3 0.854 9.271 5.750 25 HD21 LEU 3 HD21 LEU 3 0.689 6.022 3.577 26 HD22 LEU 3 HD22 LEU 3 0.007 5.876 5.198 27 HD23 LEU 3 HD23 LEU 3 1.620 5.246 4.858 28 H CYS 4 H CYS 4 4.079 4.873 4.172 29 HA CYS 4 HA CYS 4 2.765 3.700 1.858 30 HB2 CYS 4 HB2 CYS 4 5.650 3.066 2.530 31 HB3 CYS 4 HB1 CYS 4 4.692 2.324 1.258 32 H TYR 5 H TYR 5 2.115 1.540 2.229 33 HA TYR 5 HA TYR 5 2.970 0.165 4.603 34 HB2 TYR 5 HB2 TYR 5 0.678 -0.013 5.590 35 HB3 TYR 5 HB1 TYR 5 1.385 1.591 5.698 36 HD1 TYR 5 HD1 TYR 5 -0.907 -0.391 3.489 37 HD2 TYR 5 HD2 TYR 5 0.089 3.406 5.129 38 HE1 TYR 5 HE1 TYR 5 -2.927 0.573 2.471 39 HE2 TYR 5 HE2 TYR 5 -1.927 4.378 4.118 40 HH TYR 5 HH TYR 5 -3.493 3.248 1.716 41 H CYS 6 H CYS 6 2.127 -1.991 4.753 42 HA CYS 6 HA CYS 6 1.643 -3.097 2.128 43 HB2 CYS 6 HB2 CYS 6 2.026 -4.443 4.809 44 HB3 CYS 6 HB1 CYS 6 1.884 -5.287 3.271 45 H GLY 7 H GLY 7 -0.367 -3.015 1.402 46 HA2 GLY 7 HA2 GLY 7 -2.665 -3.121 3.127 47 HA3 GLY 7 HA1 GLY 7 -2.674 -3.087 1.367 48 H LYS 8 H LYS 8 -4.016 -4.807 3.514 49 HA LYS 8 HA LYS 8 -3.010 -7.443 2.816 50 HB2 LYS 8 HB2 LYS 8 -5.232 -6.573 4.676 51 HB3 LYS 8 HB1 LYS 8 -4.809 -8.251 4.375 52 HG2 LYS 8 HG2 LYS 8 -3.747 -7.729 6.381 53 HG3 LYS 8 HG1 LYS 8 -2.467 -7.629 5.173 54 HD2 LYS 8 HD2 LYS 8 -2.817 -5.170 5.088 55 HD3 LYS 8 HD1 LYS 8 -3.985 -5.328 6.401 56 HE2 LYS 8 HE2 LYS 8 -1.069 -6.088 6.521 57 HE3 LYS 8 HE1 LYS 8 -1.792 -4.648 7.234 58 HZ1 LYS 8 HZ1 LYS 8 -1.918 -7.426 8.119 59 HZ2 LYS 8 HZ2 LYS 8 -3.300 -6.481 8.361 60 HZ3 LYS 8 HZ3 LYS 8 -1.821 -6.003 9.030 61 H GLY 9 H GLY 9 -3.694 -8.421 1.053 62 HA2 GLY 9 HA2 GLY 9 -5.202 -9.316 -0.466 63 HA3 GLY 9 HA1 GLY 9 -6.502 -8.500 0.386 64 H HIS 10 H HIS 10 -5.628 -5.864 0.231 65 HA HIS 10 HA HIS 10 -4.932 -5.126 -2.432 66 HB2 HIS 10 HB2 HIS 10 -7.026 -4.161 -3.161 67 HB3 HIS 10 HB1 HIS 10 -7.298 -5.857 -2.784 68 HD1 HIS 10 HD1 HIS 10 -7.810 -2.439 -1.163 69 HD2 HIS 10 HD2 HIS 10 -9.374 -6.297 -1.089 70 HE1 HIS 10 HE1 HIS 10 -9.834 -2.323 0.324 71 HE2 HIS 10 HE2 HIS 10 -10.664 -4.695 0.478 72 H CYS 11 H CYS 11 -4.512 -2.929 -2.608 73 HA CYS 11 HA CYS 11 -4.213 -1.555 -0.074 74 HB2 CYS 11 HB2 CYS 11 -3.391 -0.734 -2.867 75 HB3 CYS 11 HB1 CYS 11 -2.891 0.048 -1.371 76 H LYS 12 H LYS 12 -4.372 1.101 -0.926 77 HA LYS 12 HA LYS 12 -7.229 1.527 -0.835 78 HB2 LYS 12 HB2 LYS 12 -5.661 2.911 0.480 79 HB3 LYS 12 HB1 LYS 12 -4.942 3.505 -1.009 80 HG2 LYS 12 HG2 LYS 12 -7.306 4.343 -1.572 81 HG3 LYS 12 HG1 LYS 12 -7.644 4.091 0.141 82 HD2 LYS 12 HD2 LYS 12 -5.445 5.829 -0.983 83 HD3 LYS 12 HD1 LYS 12 -6.977 6.407 -0.326 84 HE2 LYS 12 HE2 LYS 12 -6.393 5.465 1.854 85 HE3 LYS 12 HE1 LYS 12 -4.870 4.875 1.195 86 HZ1 LYS 12 HZ1 LYS 12 -4.021 6.813 1.820 87 HZ2 LYS 12 HZ2 LYS 12 -5.536 7.484 2.139 88 HZ3 LYS 12 HZ3 LYS 12 -4.901 7.547 0.571 89 H ARG 13 H ARG 13 -8.459 2.696 -2.382 90 HA ARG 13 HA ARG 13 -7.825 2.134 -5.093 91 HB2 ARG 13 HB2 ARG 13 -10.146 2.273 -4.305 92 HB3 ARG 13 HB1 ARG 13 -9.927 3.972 -3.911 93 HG2 ARG 13 HG2 ARG 13 -11.131 3.805 -5.969 94 HG3 ARG 13 HG1 ARG 13 -9.517 4.425 -6.314 95 HD2 ARG 13 HD2 ARG 13 -10.072 2.788 -7.975 96 HD3 ARG 13 HD1 ARG 13 -8.823 2.120 -6.927 97 HE ARG 13 HE ARG 13 -10.264 0.452 -6.377 98 HH11 ARG 13 HH11 ARG 13 -12.171 3.151 -7.547 99 HH12 ARG 13 HH12 ARG 13 -13.677 2.300 -7.445 100 HH21 ARG 13 HH21 ARG 13 -12.258 -0.675 -6.244 101 HH22 ARG 13 HH22 ARG 13 -13.726 0.123 -6.703 102 H GLY 14 H GLY 14 -6.388 3.211 -6.297 103 HA2 GLY 14 HA2 GLY 14 -5.610 5.174 -7.388 104 HA3 GLY 14 HA1 GLY 14 -6.213 6.128 -6.039 105 H GLU 15 H GLU 15 -4.730 3.521 -4.721 106 HA GLU 15 HA GLU 15 -2.430 5.045 -3.890 107 HB2 GLU 15 HB2 GLU 15 -3.911 3.189 -2.665 108 HB3 GLU 15 HB1 GLU 15 -2.692 2.127 -3.350 109 HG2 GLU 15 HG2 GLU 15 -1.010 2.992 -2.055 110 HG3 GLU 15 HG1 GLU 15 -1.850 4.525 -1.803 111 H ARG 16 H ARG 16 -0.217 4.476 -4.329 112 HA ARG 16 HA ARG 16 0.029 3.063 -6.881 113 HB2 ARG 16 HB2 ARG 16 1.956 4.908 -5.473 114 HB3 ARG 16 HB1 ARG 16 2.290 4.098 -6.999 115 HG2 ARG 16 HG2 ARG 16 0.238 6.220 -6.438 116 HG3 ARG 16 HG1 ARG 16 1.611 6.290 -7.542 117 HD2 ARG 16 HD2 ARG 16 -0.821 4.526 -7.837 118 HD3 ARG 16 HD1 ARG 16 -0.489 5.991 -8.757 119 HE ARG 16 HE ARG 16 0.556 3.378 -9.240 120 HH11 ARG 16 HH11 ARG 16 1.239 6.788 -9.599 121 HH12 ARG 16 HH12 ARG 16 2.378 6.561 -10.884 122 HH21 ARG 16 HH21 ARG 16 2.064 3.067 -10.940 123 HH22 ARG 16 HH22 ARG 16 2.847 4.439 -11.648 124 H VAL 17 H VAL 17 0.720 1.100 -6.973 125 HA VAL 17 HA VAL 17 1.657 -0.335 -4.707 126 HB VAL 17 HB VAL 17 1.671 -1.158 -7.619 127 HG11 VAL 17 HG11 VAL 17 2.349 -3.203 -7.011 128 HG12 VAL 17 HG21 VAL 17 1.340 -3.213 -5.565 129 HG13 VAL 17 3HG1 VAL 17 2.913 -2.414 -5.537 130 HG21 VAL 17 HG12 VAL 17 -0.545 -0.469 -6.332 131 HG22 VAL 17 HG22 VAL 17 -0.398 -2.117 -5.721 132 HG23 VAL 17 HG23 VAL 17 -0.498 -1.825 -7.458 133 H ARG 18 H ARG 18 3.681 -0.961 -4.154 134 HA ARG 18 HA ARG 18 5.889 0.106 -5.785 135 HB2 ARG 18 HB2 ARG 18 5.721 -0.390 -2.811 136 HB3 ARG 18 HB1 ARG 18 7.215 0.013 -3.649 137 HG2 ARG 18 HG2 ARG 18 4.748 1.730 -3.466 138 HG3 ARG 18 HG1 ARG 18 6.277 1.982 -2.620 139 HD2 ARG 18 HD2 ARG 18 5.867 2.038 -5.608 140 HD3 ARG 18 HD1 ARG 18 6.095 3.443 -4.567 141 HE ARG 18 HE ARG 18 8.280 1.800 -4.145 142 HH11 ARG 18 HH11 ARG 18 6.858 3.517 -6.831 143 HH12 ARG 18 HH12 ARG 18 8.365 3.775 -7.643 144 HH21 ARG 18 HH21 ARG 18 10.288 2.128 -5.210 145 HH22 ARG 18 HH22 ARG 18 10.324 2.979 -6.718 146 H GLY 19 H GLY 19 4.772 -2.642 -3.888 147 HA2 GLY 19 HA2 GLY 19 5.852 -4.590 -5.550 148 HA3 GLY 19 HA1 GLY 19 7.038 -4.284 -4.286 149 H THR 20 H THR 20 6.210 -6.747 -4.198 150 HA THR 20 HA THR 20 3.824 -6.983 -2.557 151 HB THR 20 HB THR 20 4.466 -9.450 -2.593 152 HG1 THR 20 HG1 THR 20 6.675 -9.095 -3.214 153 HG21 THR 20 HG12 THR 20 3.129 -9.701 -4.393 154 HG22 THR 20 HG22 THR 20 4.155 -8.696 -5.418 155 HG23 THR 20 HG23 THR 20 2.999 -7.943 -4.318 156 H CYS 21 H CYS 21 3.793 -7.487 -0.411 157 HA CYS 21 HA CYS 21 6.342 -7.218 0.999 158 HB2 CYS 21 HB2 CYS 21 3.525 -7.297 2.103 159 HB3 CYS 21 HB1 CYS 21 4.983 -6.958 3.029 160 H GLY 22 H GLY 22 3.673 -9.458 0.571 161 HA2 GLY 22 HA2 GLY 22 5.192 -11.762 0.858 162 HA3 GLY 22 HA1 GLY 22 4.528 -11.391 2.445 163 H ILE 23 H ILE 23 3.292 -13.327 2.344 164 HA ILE 23 HA ILE 23 1.478 -13.909 0.287 165 HB ILE 23 HB ILE 23 0.305 -15.320 2.026 166 HG12 ILE 23 HG21 ILE 23 2.642 -14.438 3.740 167 HG13 ILE 23 HG11 ILE 23 0.967 -13.967 3.998 168 HG21 ILE 23 HG12 ILE 23 3.115 -15.565 1.127 169 HG22 ILE 23 HG22 ILE 23 1.724 -16.600 0.804 170 HG23 ILE 23 HG23 ILE 23 2.560 -16.706 2.353 171 HD11 ILE 23 HD11 ILE 23 1.935 -16.811 4.052 172 HD12 ILE 23 HD12 ILE 23 0.350 -16.206 4.532 173 HD13 ILE 23 HD13 ILE 23 1.776 -15.789 5.480 174 H ARG 24 H ARG 24 -0.137 -12.751 -0.345 175 HA ARG 24 HA ARG 24 -2.009 -11.487 -0.432 176 HB2 ARG 24 HB2 ARG 24 -2.750 -13.235 1.265 177 HB3 ARG 24 HB1 ARG 24 -2.391 -12.047 2.509 178 HG2 ARG 24 HG2 ARG 24 -4.028 -10.520 1.508 179 HG3 ARG 24 HG1 ARG 24 -4.405 -11.740 0.290 180 HD2 ARG 24 HD2 ARG 24 -5.104 -13.280 2.069 181 HD3 ARG 24 HD1 ARG 24 -4.751 -12.041 3.272 182 HE ARG 24 HE ARG 24 -6.773 -11.111 2.822 183 HH11 ARG 24 HH11 ARG 24 -5.879 -13.087 0.071 184 HH12 ARG 24 HH12 ARG 24 -7.365 -12.813 -0.775 185 HH21 ARG 24 HH21 ARG 24 -8.744 -10.758 1.713 186 HH22 ARG 24 HH22 ARG 24 -9.000 -11.489 0.164 187 H PHE 25 H PHE 25 0.661 -10.360 0.536 188 HA PHE 25 HA PHE 25 -0.467 -7.866 1.648 189 HB2 PHE 25 HB2 PHE 25 2.145 -9.206 2.291 190 HB3 PHE 25 HB1 PHE 25 1.929 -7.470 2.490 191 HD1 PHE 25 HD2 PHE 25 -0.375 -10.313 3.249 192 HD2 PHE 25 HD1 PHE 25 1.909 -7.048 4.738 193 HE1 PHE 25 HE2 PHE 25 -1.318 -10.680 5.491 194 HE2 PHE 25 HE1 PHE 25 0.974 -7.411 6.983 195 HZ PHE 25 HZ PHE 25 -0.644 -9.229 7.362 196 H LEU 26 H LEU 26 -0.024 -6.027 0.637 197 HA LEU 26 HA LEU 26 1.986 -6.048 -1.519 198 HB2 LEU 26 HB2 LEU 26 -0.376 -6.356 -2.353 199 HB3 LEU 26 HB1 LEU 26 -0.734 -4.759 -1.727 200 HG LEU 26 HG LEU 26 0.977 -3.814 -3.261 201 HD11 LEU 26 HD11 LEU 26 2.180 -6.084 -3.414 202 HD12 LEU 26 HD12 LEU 26 2.083 -5.082 -4.862 203 HD13 LEU 26 HD13 LEU 26 0.996 -6.458 -4.666 204 HD21 LEU 26 HD21 LEU 26 -1.262 -3.672 -3.991 205 HD22 LEU 26 HD22 LEU 26 -1.322 -5.390 -4.389 206 HD23 LEU 26 HD23 LEU 26 -0.348 -4.291 -5.367 207 H TYR 27 H TYR 27 3.343 -4.361 -1.431 208 HA TYR 27 HA TYR 27 2.961 -2.320 0.582 209 HB2 TYR 27 HB2 TYR 27 5.172 -3.503 -0.090 210 HB3 TYR 27 HB1 TYR 27 5.181 -2.389 -1.452 211 HD1 TYR 27 HD2 TYR 27 4.280 -1.887 2.137 212 HD2 TYR 27 HD1 TYR 27 6.859 -0.846 -1.080 213 HE1 TYR 27 HE2 TYR 27 5.359 -0.194 3.559 214 HE2 TYR 27 HE1 TYR 27 7.948 0.847 0.330 215 HH TYR 27 HH TYR 27 8.265 1.418 2.617 216 H CYS 28 H CYS 28 1.913 -0.468 0.190 217 HA CYS 28 HA CYS 28 2.061 0.662 -2.516 218 HB2 CYS 28 HB2 CYS 28 -0.449 0.324 -0.869 219 HB3 CYS 28 HB1 CYS 28 -0.346 1.289 -2.337 220 H CYS 29 H CYS 29 1.816 2.902 -2.662 221 HA CYS 29 HA CYS 29 2.021 4.353 -0.104 222 HB2 CYS 29 HB2 CYS 29 3.466 5.059 -2.669 223 HB3 CYS 29 HB1 CYS 29 3.628 5.864 -1.111 224 HA PRO 30 HA PRO 30 -1.477 6.325 -2.071 225 HB2 PRO 30 HB2 PRO 30 -2.371 7.620 0.114 226 HB3 PRO 30 HB1 PRO 30 -2.624 5.895 -0.152 227 HG2 PRO 30 HG2 PRO 30 -0.681 7.277 1.629 228 HG3 PRO 30 HG1 PRO 30 -1.541 5.748 1.877 229 HD2 PRO 30 HD2 PRO 30 1.100 5.993 1.055 230 HD3 PRO 30 HD1 PRO 30 0.091 4.549 0.850 231 H ARG 31 H ARG 31 -1.783 8.198 -3.024 232 HA ARG 31 HA ARG 31 0.152 10.327 -2.655 233 HB2 ARG 31 HB2 ARG 31 -0.546 9.766 -4.936 234 HB3 ARG 31 HB1 ARG 31 -2.225 10.076 -4.523 235 HG2 ARG 31 HG2 ARG 31 -1.182 11.896 -5.821 236 HG3 ARG 31 HG1 ARG 31 -1.784 12.423 -4.249 237 HD2 ARG 31 HD2 ARG 31 0.363 13.426 -4.622 238 HD3 ARG 31 HD1 ARG 31 0.521 12.214 -3.354 239 HE ARG 31 HE ARG 31 1.956 11.050 -4.691 240 HH11 ARG 31 HH11 ARG 31 0.259 13.388 -6.670 241 HH12 ARG 31 HH12 ARG 31 1.213 13.081 -8.083 242 HH21 ARG 31 HH21 ARG 31 3.224 10.644 -6.551 243 HH22 ARG 31 HH22 ARG 31 2.907 11.517 -8.014 244 H ARG 32 H ARG 32 -2.988 9.422 -1.722 245 HA ARG 32 HA ARG 32 -3.243 11.563 0.150 246 HB2 ARG 32 HB2 ARG 32 -4.135 12.616 -1.922 247 HB3 ARG 32 HB1 ARG 32 -5.287 11.299 -2.075 248 HG2 ARG 32 HG2 ARG 32 -6.338 11.962 0.021 249 HG3 ARG 32 HG1 ARG 32 -5.169 13.272 0.196 250 HD2 ARG 32 HD2 ARG 32 -7.141 12.961 -2.064 251 HD3 ARG 32 HD1 ARG 32 -7.312 14.064 -0.702 252 HE ARG 32 HE ARG 32 -5.832 14.516 -3.065 253 HH11 ARG 32 HH11 ARG 32 -5.649 15.066 0.390 254 HH12 ARG 32 HH12 ARG 32 -4.651 16.475 0.245 255 HH21 ARG 32 HH21 ARG 32 -4.510 16.378 -3.261 256 HH22 ARG 32 HH22 ARG 32 -4.005 17.224 -1.837 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 4.771 12.884 1.657 2 H2 GLY 1 HT2 GLY 1 5.987 14.014 1.298 3 H3 GLY 1 HT3 GLY 1 6.017 13.180 2.766 4 HA2 GLY 1 HA1 GLY 1 6.792 12.279 0.103 5 HA3 GLY 1 HA2 GLY 1 7.538 11.936 1.662 6 H LEU 2 H LEU 2 6.100 10.470 -0.771 7 HA LEU 2 HA LEU 2 3.953 9.024 -0.186 8 HB2 LEU 2 HB2 LEU 2 6.478 7.765 -1.244 9 HB3 LEU 2 HB1 LEU 2 4.843 7.183 -1.485 10 HG LEU 2 HG LEU 2 5.997 9.745 -2.592 11 HD11 LEU 2 HD11 LEU 2 5.481 7.030 -3.722 12 HD12 LEU 2 HD12 LEU 2 6.889 8.076 -3.909 13 HD13 LEU 2 HD13 LEU 2 5.392 8.454 -4.760 14 HD21 LEU 2 HD21 LEU 2 3.228 8.632 -2.539 15 HD22 LEU 2 HD22 LEU 2 3.767 9.557 -3.940 16 HD23 LEU 2 HD23 LEU 2 3.776 10.295 -2.338 17 H LEU 3 H LEU 3 3.435 8.456 1.826 18 HA LEU 3 HA LEU 3 5.238 7.103 3.605 19 HB2 LEU 3 HB2 LEU 3 2.255 7.554 3.787 20 HB3 LEU 3 HB1 LEU 3 3.264 6.942 5.084 21 HG LEU 3 HG LEU 3 3.538 9.682 3.840 22 HD11 LEU 3 HD11 LEU 3 1.534 8.826 5.508 23 HD12 LEU 3 HD12 LEU 3 2.079 10.494 5.319 24 HD13 LEU 3 HD13 LEU 3 2.718 9.499 6.628 25 HD21 LEU 3 HD21 LEU 3 5.254 10.103 5.286 26 HD22 LEU 3 HD22 LEU 3 5.519 8.383 5.009 27 HD23 LEU 3 HD23 LEU 3 4.695 8.923 6.471 28 H CYS 4 H CYS 4 5.562 5.468 1.741 29 HA CYS 4 HA CYS 4 3.669 3.547 1.080 30 HB2 CYS 4 HB2 CYS 4 6.649 3.144 1.357 31 HB3 CYS 4 HB1 CYS 4 5.541 2.120 0.452 32 H TYR 5 H TYR 5 2.944 1.699 1.961 33 HA TYR 5 HA TYR 5 4.206 0.590 4.328 34 HB2 TYR 5 HB2 TYR 5 1.940 0.537 5.516 35 HB3 TYR 5 HB1 TYR 5 2.790 2.075 5.487 36 HD1 TYR 5 HD1 TYR 5 0.458 0.341 3.102 37 HD2 TYR 5 HD2 TYR 5 1.336 3.837 5.360 38 HE1 TYR 5 HE1 TYR 5 -1.531 1.439 2.166 39 HE2 TYR 5 HE2 TYR 5 -0.650 4.944 4.430 40 HH TYR 5 HH TYR 5 -2.303 3.781 1.743 41 H CYS 6 H CYS 6 3.134 -1.481 4.975 42 HA CYS 6 HA CYS 6 2.659 -3.026 2.601 43 HB2 CYS 6 HB2 CYS 6 4.036 -3.932 4.394 44 HB3 CYS 6 HB1 CYS 6 2.690 -3.810 5.521 45 H GLY 7 H GLY 7 0.721 -2.777 1.677 46 HA2 GLY 7 HA2 GLY 7 -1.704 -2.397 3.171 47 HA3 GLY 7 HA1 GLY 7 -1.562 -2.604 1.430 48 H LYS 8 H LYS 8 -3.213 -3.851 3.716 49 HA LYS 8 HA LYS 8 -2.529 -6.657 3.385 50 HB2 LYS 8 HB2 LYS 8 -4.747 -5.408 5.015 51 HB3 LYS 8 HB1 LYS 8 -4.207 -7.079 5.093 52 HG2 LYS 8 HG2 LYS 8 -2.619 -4.647 5.893 53 HG3 LYS 8 HG1 LYS 8 -3.351 -5.831 6.976 54 HD2 LYS 8 HD2 LYS 8 -1.902 -7.573 6.035 55 HD3 LYS 8 HD1 LYS 8 -1.166 -6.377 4.968 56 HE2 LYS 8 HE2 LYS 8 -1.105 -6.327 7.982 57 HE3 LYS 8 HE1 LYS 8 0.224 -6.820 6.935 58 HZ1 LYS 8 HZ1 LYS 8 -0.827 -4.142 7.471 59 HZ2 LYS 8 HZ2 LYS 8 -0.191 -4.442 5.931 60 HZ3 LYS 8 HZ3 LYS 8 0.774 -4.660 7.304 61 H GLY 9 H GLY 9 -3.317 -7.745 1.721 62 HA2 GLY 9 HA2 GLY 9 -4.879 -8.650 0.302 63 HA3 GLY 9 HA1 GLY 9 -6.113 -7.722 1.129 64 H HIS 10 H HIS 10 -5.180 -5.101 0.632 65 HA HIS 10 HA HIS 10 -4.585 -4.676 -2.111 66 HB2 HIS 10 HB2 HIS 10 -6.744 -3.896 -2.928 67 HB3 HIS 10 HB1 HIS 10 -6.875 -5.572 -2.410 68 HD1 HIS 10 HD1 HIS 10 -7.655 -5.576 0.381 69 HD2 HIS 10 HD2 HIS 10 -8.927 -2.531 -2.145 70 HE1 HIS 10 HE1 HIS 10 -9.697 -4.605 1.476 71 HE2 HIS 10 HE2 HIS 10 -10.518 -2.847 -0.129 72 H CYS 11 H CYS 11 -4.364 -2.504 -2.633 73 HA CYS 11 HA CYS 11 -4.008 -0.737 -0.390 74 HB2 CYS 11 HB2 CYS 11 -3.717 -0.118 -3.338 75 HB3 CYS 11 HB1 CYS 11 -3.037 0.801 -1.997 76 H LYS 12 H LYS 12 -4.802 1.531 -0.540 77 HA LYS 12 HA LYS 12 -7.668 1.554 -0.890 78 HB2 LYS 12 HB2 LYS 12 -6.665 2.688 1.022 79 HB3 LYS 12 HB1 LYS 12 -5.684 3.680 -0.042 80 HG2 LYS 12 HG2 LYS 12 -7.431 5.058 0.704 81 HG3 LYS 12 HG1 LYS 12 -7.842 4.621 -0.954 82 HD2 LYS 12 HD2 LYS 12 -9.403 2.947 -0.159 83 HD3 LYS 12 HD1 LYS 12 -8.937 3.271 1.514 84 HE2 LYS 12 HE2 LYS 12 -9.731 5.603 1.231 85 HE3 LYS 12 HE1 LYS 12 -10.291 5.184 -0.387 86 HZ1 LYS 12 HZ1 LYS 12 -11.960 3.844 0.448 87 HZ2 LYS 12 HZ2 LYS 12 -11.947 5.121 1.556 88 HZ3 LYS 12 HZ3 LYS 12 -11.215 3.650 1.955 89 H ARG 13 H ARG 13 -8.782 2.483 -2.557 90 HA ARG 13 HA ARG 13 -7.548 2.939 -5.019 91 HB2 ARG 13 HB2 ARG 13 -10.255 3.847 -4.024 92 HB3 ARG 13 HB1 ARG 13 -9.728 3.973 -5.696 93 HG2 ARG 13 HG2 ARG 13 -9.474 1.530 -5.782 94 HG3 ARG 13 HG1 ARG 13 -10.063 1.428 -4.122 95 HD2 ARG 13 HD2 ARG 13 -11.862 0.952 -5.678 96 HD3 ARG 13 HD1 ARG 13 -12.178 2.460 -4.823 97 HE ARG 13 HE ARG 13 -12.157 3.541 -6.824 98 HH11 ARG 13 HH11 ARG 13 -10.510 0.478 -7.243 99 HH12 ARG 13 HH12 ARG 13 -10.266 0.691 -8.943 100 HH21 ARG 13 HH21 ARG 13 -11.841 3.829 -9.072 101 HH22 ARG 13 HH22 ARG 13 -11.026 2.604 -9.987 102 H GLY 14 H GLY 14 -5.943 4.384 -5.033 103 HA2 GLY 14 HA2 GLY 14 -6.179 6.986 -5.613 104 HA3 GLY 14 HA1 GLY 14 -6.242 7.008 -3.852 105 H GLU 15 H GLU 15 -4.498 4.797 -3.423 106 HA GLU 15 HA GLU 15 -1.975 6.173 -3.856 107 HB2 GLU 15 HB2 GLU 15 -1.068 4.289 -2.411 108 HB3 GLU 15 HB1 GLU 15 -2.187 5.409 -1.653 109 HG2 GLU 15 HG2 GLU 15 -3.987 3.744 -2.012 110 HG3 GLU 15 HG1 GLU 15 -2.763 2.625 -2.617 111 H ARG 16 H ARG 16 -0.030 4.782 -4.406 112 HA ARG 16 HA ARG 16 -0.767 3.050 -6.676 113 HB2 ARG 16 HB2 ARG 16 0.436 5.169 -7.246 114 HB3 ARG 16 HB1 ARG 16 1.804 4.595 -6.304 115 HG2 ARG 16 HG2 ARG 16 1.907 2.605 -7.819 116 HG3 ARG 16 HG1 ARG 16 0.687 3.390 -8.824 117 HD2 ARG 16 HD2 ARG 16 2.229 5.357 -8.998 118 HD3 ARG 16 HD1 ARG 16 3.457 4.389 -8.186 119 HE ARG 16 HE ARG 16 2.779 4.301 -10.923 120 HH11 ARG 16 HH11 ARG 16 3.650 2.140 -8.298 121 HH12 ARG 16 HH12 ARG 16 4.337 0.946 -9.343 122 HH21 ARG 16 HH21 ARG 16 3.694 2.720 -12.297 123 HH22 ARG 16 HH22 ARG 16 4.368 1.277 -11.616 124 H VAL 17 H VAL 17 -0.020 1.027 -6.756 125 HA VAL 17 HA VAL 17 1.208 -0.123 -4.448 126 HB VAL 17 HB VAL 17 0.805 -1.394 -7.164 127 HG11 VAL 17 HG11 VAL 17 1.852 -3.124 -6.244 128 HG12 VAL 17 HG21 VAL 17 0.479 -3.286 -5.149 129 HG13 VAL 17 3HG1 VAL 17 1.888 -2.342 -4.664 130 HG21 VAL 17 HG12 VAL 17 -1.094 -0.880 -4.929 131 HG22 VAL 17 HG22 VAL 17 -1.245 -2.378 -5.849 132 HG23 VAL 17 HG23 VAL 17 -1.358 -0.822 -6.672 133 H ARG 18 H ARG 18 3.322 -0.515 -4.082 134 HA ARG 18 HA ARG 18 5.225 0.328 -6.135 135 HB2 ARG 18 HB2 ARG 18 5.499 1.231 -3.859 136 HB3 ARG 18 HB1 ARG 18 5.700 -0.402 -3.238 137 HG2 ARG 18 HG2 ARG 18 7.733 -0.672 -4.534 138 HG3 ARG 18 HG1 ARG 18 7.522 0.934 -5.230 139 HD2 ARG 18 HD2 ARG 18 7.865 0.363 -2.289 140 HD3 ARG 18 HD1 ARG 18 9.164 0.861 -3.371 141 HE ARG 18 HE ARG 18 7.187 2.532 -2.169 142 HH11 ARG 18 HH11 ARG 18 9.208 2.193 -5.012 143 HH12 ARG 18 HH12 ARG 18 9.185 3.884 -5.386 144 HH21 ARG 18 HH21 ARG 18 7.150 4.753 -2.654 145 HH22 ARG 18 HH22 ARG 18 8.011 5.348 -4.037 146 H GLY 19 H GLY 19 4.307 -2.492 -4.245 147 HA2 GLY 19 HA2 GLY 19 5.064 -4.344 -6.187 148 HA3 GLY 19 HA1 GLY 19 6.407 -4.192 -5.060 149 H THR 20 H THR 20 5.982 -6.459 -4.588 150 HA THR 20 HA THR 20 3.537 -7.058 -3.140 151 HB THR 20 HB THR 20 4.709 -9.351 -2.933 152 HG1 THR 20 HG1 THR 20 6.800 -8.753 -3.496 153 HG21 THR 20 HG12 THR 20 4.392 -9.188 -5.757 154 HG22 THR 20 HG22 THR 20 3.202 -8.123 -5.008 155 HG23 THR 20 HG23 THR 20 3.265 -9.829 -4.562 156 H CYS 21 H CYS 21 3.410 -7.563 -0.981 157 HA CYS 21 HA CYS 21 5.752 -6.816 0.633 158 HB2 CYS 21 HB2 CYS 21 3.843 -5.435 1.124 159 HB3 CYS 21 HB1 CYS 21 2.800 -6.842 1.288 160 H GLY 22 H GLY 22 3.201 -9.246 0.291 161 HA2 GLY 22 HA2 GLY 22 4.848 -11.409 0.951 162 HA3 GLY 22 HA1 GLY 22 3.990 -10.921 2.408 163 H ILE 23 H ILE 23 2.831 -12.906 2.446 164 HA ILE 23 HA ILE 23 1.307 -13.840 0.265 165 HB ILE 23 HB ILE 23 -0.003 -15.109 2.006 166 HG12 ILE 23 HG21 ILE 23 2.081 -13.938 3.870 167 HG13 ILE 23 HG11 ILE 23 0.371 -13.519 3.878 168 HG21 ILE 23 HG12 ILE 23 2.929 -15.308 1.551 169 HG22 ILE 23 HG22 ILE 23 1.629 -16.387 1.044 170 HG23 ILE 23 HG23 ILE 23 2.180 -16.396 2.719 171 HD11 ILE 23 HD11 ILE 23 0.634 -15.042 5.623 172 HD12 ILE 23 HD12 ILE 23 1.666 -16.103 4.663 173 HD13 ILE 23 HD13 ILE 23 -0.057 -15.991 4.307 174 H ARG 24 H ARG 24 -0.211 -12.752 -0.676 175 HA ARG 24 HA ARG 24 -2.036 -11.479 -1.107 176 HB2 ARG 24 HB2 ARG 24 -3.070 -13.226 0.409 177 HB3 ARG 24 HB1 ARG 24 -2.895 -12.081 1.730 178 HG2 ARG 24 HG2 ARG 24 -4.329 -10.492 0.498 179 HG3 ARG 24 HG1 ARG 24 -4.555 -11.711 -0.757 180 HD2 ARG 24 HD2 ARG 24 -5.299 -12.047 2.147 181 HD3 ARG 24 HD1 ARG 24 -6.424 -11.629 0.856 182 HE ARG 24 HE ARG 24 -5.449 -14.222 1.507 183 HH11 ARG 24 HH11 ARG 24 -6.509 -12.238 -1.177 184 HH12 ARG 24 HH12 ARG 24 -6.949 -13.585 -2.172 185 HH21 ARG 24 HH21 ARG 24 -6.033 -16.010 0.199 186 HH22 ARG 24 HH22 ARG 24 -6.678 -15.738 -1.387 187 H PHE 25 H PHE 25 0.402 -10.348 0.147 188 HA PHE 25 HA PHE 25 -0.790 -7.856 1.182 189 HB2 PHE 25 HB2 PHE 25 1.874 -9.062 1.973 190 HB3 PHE 25 HB1 PHE 25 1.249 -7.511 2.518 191 HD1 PHE 25 HD2 PHE 25 -1.654 -8.548 2.888 192 HD2 PHE 25 HD1 PHE 25 2.150 -9.986 4.141 193 HE1 PHE 25 HE2 PHE 25 -2.711 -9.661 4.811 194 HE2 PHE 25 HE1 PHE 25 1.100 -11.098 6.067 195 HZ PHE 25 HZ PHE 25 -1.334 -10.938 6.403 196 H LEU 26 H LEU 26 0.031 -5.947 0.369 197 HA LEU 26 HA LEU 26 2.239 -6.129 -1.540 198 HB2 LEU 26 HB2 LEU 26 1.070 -4.997 -3.294 199 HB3 LEU 26 HB1 LEU 26 0.153 -6.414 -2.836 200 HG LEU 26 HG LEU 26 -0.519 -3.592 -1.984 201 HD11 LEU 26 HD11 LEU 26 -1.476 -5.306 -4.255 202 HD12 LEU 26 HD12 LEU 26 -0.888 -3.643 -4.295 203 HD13 LEU 26 HD13 LEU 26 -2.463 -4.004 -3.588 204 HD21 LEU 26 HD21 LEU 26 -1.274 -5.600 -0.555 205 HD22 LEU 26 HD22 LEU 26 -2.345 -5.973 -1.907 206 HD23 LEU 26 HD23 LEU 26 -2.494 -4.431 -1.064 207 H TYR 27 H TYR 27 3.352 -4.197 -1.882 208 HA TYR 27 HA TYR 27 3.212 -2.375 0.348 209 HB2 TYR 27 HB2 TYR 27 5.287 -3.313 -1.043 210 HB3 TYR 27 HB1 TYR 27 4.984 -1.868 -2.000 211 HD1 TYR 27 HD2 TYR 27 4.723 -2.401 1.678 212 HD2 TYR 27 HD1 TYR 27 6.730 -0.413 -1.500 213 HE1 TYR 27 HE2 TYR 27 5.994 -1.082 3.316 214 HE2 TYR 27 HE1 TYR 27 8.013 0.907 0.130 215 HH TYR 27 HH TYR 27 7.188 1.245 3.283 216 H CYS 28 H CYS 28 2.019 -0.580 0.381 217 HA CYS 28 HA CYS 28 1.109 0.550 -2.183 218 HB2 CYS 28 HB2 CYS 28 -0.202 0.882 0.517 219 HB3 CYS 28 HB1 CYS 28 -0.883 1.261 -1.061 220 H CYS 29 H CYS 29 1.261 2.756 -2.528 221 HA CYS 29 HA CYS 29 2.601 4.315 -0.420 222 HB2 CYS 29 HB2 CYS 29 3.176 4.435 -3.388 223 HB3 CYS 29 HB1 CYS 29 3.892 5.478 -2.165 224 HA PRO 30 HA PRO 30 -1.193 6.620 -1.291 225 HB2 PRO 30 HB2 PRO 30 -0.998 8.190 0.925 226 HB3 PRO 30 HB1 PRO 30 -1.657 6.550 0.952 227 HG2 PRO 30 HG2 PRO 30 1.084 7.502 1.684 228 HG3 PRO 30 HG1 PRO 30 0.046 6.331 2.518 229 HD2 PRO 30 HD2 PRO 30 2.080 5.561 0.925 230 HD3 PRO 30 HD1 PRO 30 0.578 4.625 1.055 231 H ARG 31 H ARG 31 -1.648 8.788 -1.837 232 HA ARG 31 HA ARG 31 0.584 10.204 -2.965 233 HB2 ARG 31 HB2 ARG 31 -1.719 9.966 -4.021 234 HB3 ARG 31 HB1 ARG 31 -2.284 11.141 -2.842 235 HG2 ARG 31 HG2 ARG 31 -1.830 12.262 -4.909 236 HG3 ARG 31 HG1 ARG 31 -0.623 12.755 -3.719 237 HD2 ARG 31 HD2 ARG 31 0.430 12.329 -5.867 238 HD3 ARG 31 HD1 ARG 31 0.963 11.147 -4.673 239 HE ARG 31 HE ARG 31 0.061 9.507 -5.968 240 HH11 ARG 31 HH11 ARG 31 -1.375 12.551 -6.931 241 HH12 ARG 31 HH12 ARG 31 -2.324 11.854 -8.201 242 HH21 ARG 31 HH21 ARG 31 -1.199 8.576 -7.639 243 HH22 ARG 31 HH22 ARG 31 -2.224 9.585 -8.603 244 H ARG 32 H ARG 32 1.224 10.223 -0.455 245 HA ARG 32 HA ARG 32 1.069 12.998 0.323 246 HB2 ARG 32 HB2 ARG 32 -0.938 12.140 1.414 247 HB3 ARG 32 HB1 ARG 32 -0.022 10.809 2.109 248 HG2 ARG 32 HG2 ARG 32 1.289 12.417 3.424 249 HG3 ARG 32 HG1 ARG 32 0.320 13.731 2.752 250 HD2 ARG 32 HD2 ARG 32 -1.687 12.788 3.742 251 HD3 ARG 32 HD1 ARG 32 -0.763 11.418 4.355 252 HE ARG 32 HE ARG 32 0.413 13.746 5.339 253 HH11 ARG 32 HH11 ARG 32 -2.601 12.000 5.639 254 HH12 ARG 32 HH12 ARG 32 -2.907 12.534 7.259 255 HH21 ARG 32 HH21 ARG 32 0.023 14.460 7.484 256 HH22 ARG 32 HH22 ARG 32 -1.407 13.941 8.311 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 1.936 14.167 5.177 2 H2 GLY 1 HT2 GLY 1 3.301 13.387 4.551 3 H3 GLY 1 HT3 GLY 1 3.133 13.586 6.223 4 HA2 GLY 1 HA1 GLY 1 2.264 11.560 6.287 5 HA3 GLY 1 HA2 GLY 1 0.856 12.269 5.506 6 H LEU 2 H LEU 2 0.368 10.425 4.309 7 HA LEU 2 HA LEU 2 0.392 9.027 2.528 8 HB2 LEU 2 HB2 LEU 2 2.414 10.979 1.425 9 HB3 LEU 2 HB1 LEU 2 1.541 9.775 0.495 10 HG LEU 2 HG LEU 2 0.241 12.076 1.957 11 HD11 LEU 2 HD11 LEU 2 1.652 12.845 0.107 12 HD12 LEU 2 HD12 LEU 2 -0.063 13.079 -0.232 13 HD13 LEU 2 HD13 LEU 2 0.810 11.743 -0.984 14 HD21 LEU 2 HD21 LEU 2 -1.763 11.455 0.833 15 HD22 LEU 2 HD22 LEU 2 -1.127 10.004 1.608 16 HD23 LEU 2 HD23 LEU 2 -0.920 10.239 -0.128 17 H LEU 3 H LEU 3 1.931 8.169 4.616 18 HA LEU 3 HA LEU 3 4.531 7.359 3.686 19 HB2 LEU 3 HB2 LEU 3 2.938 6.710 6.157 20 HB3 LEU 3 HB1 LEU 3 4.460 5.920 5.802 21 HG LEU 3 HG LEU 3 5.463 8.284 5.717 22 HD11 LEU 3 HD11 LEU 3 3.383 9.171 7.591 23 HD12 LEU 3 HD12 LEU 3 2.902 9.120 5.895 24 HD13 LEU 3 HD13 LEU 3 4.298 10.081 6.388 25 HD21 LEU 3 HD21 LEU 3 6.105 6.890 7.481 26 HD22 LEU 3 HD22 LEU 3 4.496 6.914 8.204 27 HD23 LEU 3 HD23 LEU 3 5.514 8.353 8.269 28 H CYS 4 H CYS 4 5.149 5.373 2.974 29 HA CYS 4 HA CYS 4 3.227 3.754 1.677 30 HB2 CYS 4 HB2 CYS 4 6.123 3.155 2.320 31 HB3 CYS 4 HB1 CYS 4 5.129 2.280 1.162 32 H TYR 5 H TYR 5 2.483 1.676 2.178 33 HA TYR 5 HA TYR 5 3.271 0.461 4.693 34 HB2 TYR 5 HB2 TYR 5 0.914 0.335 5.516 35 HB3 TYR 5 HB1 TYR 5 1.570 1.965 5.506 36 HD1 TYR 5 HD2 TYR 5 -0.401 -0.297 3.252 37 HD2 TYR 5 HD1 TYR 5 0.203 3.648 4.729 38 HE1 TYR 5 HE2 TYR 5 -2.352 0.474 1.973 39 HE2 TYR 5 HE1 TYR 5 -1.751 4.427 3.457 40 HH TYR 5 HH TYR 5 -3.122 2.717 0.976 41 H CYS 6 H CYS 6 2.119 -1.659 5.009 42 HA CYS 6 HA CYS 6 2.058 -3.024 2.459 43 HB2 CYS 6 HB2 CYS 6 1.920 -4.038 5.300 44 HB3 CYS 6 HB1 CYS 6 1.866 -5.083 3.885 45 H GLY 7 H GLY 7 0.237 -2.893 1.363 46 HA2 GLY 7 HA2 GLY 7 -2.339 -2.592 2.563 47 HA3 GLY 7 HA1 GLY 7 -2.004 -2.863 0.857 48 H LYS 8 H LYS 8 -4.071 -4.039 2.518 49 HA LYS 8 HA LYS 8 -3.273 -6.797 2.896 50 HB2 LYS 8 HB2 LYS 8 -6.001 -5.527 3.186 51 HB3 LYS 8 HB1 LYS 8 -5.542 -7.136 3.726 52 HG2 LYS 8 HG2 LYS 8 -4.455 -4.536 4.782 53 HG3 LYS 8 HG1 LYS 8 -5.633 -5.574 5.581 54 HD2 LYS 8 HD2 LYS 8 -2.821 -6.405 4.869 55 HD3 LYS 8 HD1 LYS 8 -3.316 -5.814 6.454 56 HE2 LYS 8 HE2 LYS 8 -3.413 -8.094 6.761 57 HE3 LYS 8 HE1 LYS 8 -5.077 -7.732 6.309 58 HZ1 LYS 8 HZ1 LYS 8 -3.184 -8.435 4.180 59 HZ2 LYS 8 HZ2 LYS 8 -4.845 -8.742 4.295 60 HZ3 LYS 8 HZ3 LYS 8 -3.752 -9.673 5.186 61 H GLY 9 H GLY 9 -2.831 -7.583 0.847 62 HA2 GLY 9 HA2 GLY 9 -3.461 -8.829 -0.999 63 HA3 GLY 9 HA1 GLY 9 -5.136 -8.425 -0.659 64 H HIS 10 H HIS 10 -4.848 -5.588 -0.726 65 HA HIS 10 HA HIS 10 -3.724 -4.896 -3.291 66 HB2 HIS 10 HB2 HIS 10 -5.798 -4.169 -4.329 67 HB3 HIS 10 HB1 HIS 10 -5.918 -5.877 -3.924 68 HD1 HIS 10 HD1 HIS 10 -7.007 -2.515 -2.489 69 HD2 HIS 10 HD2 HIS 10 -8.157 -6.516 -2.534 70 HE1 HIS 10 HE1 HIS 10 -9.216 -2.600 -1.289 71 HE2 HIS 10 HE2 HIS 10 -9.812 -5.045 -1.197 72 H CYS 11 H CYS 11 -3.570 -2.665 -3.605 73 HA CYS 11 HA CYS 11 -3.518 -1.131 -1.174 74 HB2 CYS 11 HB2 CYS 11 -3.002 -0.175 -3.995 75 HB3 CYS 11 HB1 CYS 11 -2.435 0.563 -2.500 76 H LYS 12 H LYS 12 -4.241 1.299 -1.565 77 HA LYS 12 HA LYS 12 -7.115 1.228 -1.853 78 HB2 LYS 12 HB2 LYS 12 -6.036 2.560 -0.083 79 HB3 LYS 12 HB1 LYS 12 -5.211 3.519 -1.301 80 HG2 LYS 12 HG2 LYS 12 -7.532 4.158 -2.129 81 HG3 LYS 12 HG1 LYS 12 -8.128 3.479 -0.614 82 HD2 LYS 12 HD2 LYS 12 -6.179 5.761 -0.941 83 HD3 LYS 12 HD1 LYS 12 -7.838 5.861 -0.355 84 HE2 LYS 12 HE2 LYS 12 -6.811 5.831 1.660 85 HE3 LYS 12 HE1 LYS 12 -6.865 4.088 1.403 86 HZ1 LYS 12 HZ1 LYS 12 -4.585 5.893 1.388 87 HZ2 LYS 12 HZ2 LYS 12 -4.553 4.681 0.207 88 HZ3 LYS 12 HZ3 LYS 12 -4.670 4.266 1.845 89 H ARG 13 H ARG 13 -8.301 2.130 -3.503 90 HA ARG 13 HA ARG 13 -7.153 2.295 -6.063 91 HB2 ARG 13 HB2 ARG 13 -9.399 3.154 -6.767 92 HB3 ARG 13 HB1 ARG 13 -9.439 1.641 -5.875 93 HG2 ARG 13 HG2 ARG 13 -10.187 2.755 -3.891 94 HG3 ARG 13 HG1 ARG 13 -9.961 4.336 -4.641 95 HD2 ARG 13 HD2 ARG 13 -11.672 3.712 -6.334 96 HD3 ARG 13 HD1 ARG 13 -11.954 2.219 -5.442 97 HE ARG 13 HE ARG 13 -13.277 3.402 -4.029 98 HH11 ARG 13 HH11 ARG 13 -11.043 5.659 -5.514 99 HH12 ARG 13 HH12 ARG 13 -11.731 7.048 -4.742 100 HH21 ARG 13 HH21 ARG 13 -14.188 5.239 -3.004 101 HH22 ARG 13 HH22 ARG 13 -13.520 6.808 -3.308 102 H GLY 14 H GLY 14 -5.436 3.818 -5.551 103 HA2 GLY 14 HA2 GLY 14 -5.769 6.303 -6.736 104 HA3 GLY 14 HA1 GLY 14 -5.929 6.552 -5.000 105 H GLU 15 H GLU 15 -4.119 4.452 -4.244 106 HA GLU 15 HA GLU 15 -1.638 5.910 -4.615 107 HB2 GLU 15 HB2 GLU 15 -0.758 4.127 -3.024 108 HB3 GLU 15 HB1 GLU 15 -1.990 5.215 -2.398 109 HG2 GLU 15 HG2 GLU 15 -3.594 3.294 -3.212 110 HG3 GLU 15 HG1 GLU 15 -2.134 2.324 -3.015 111 H ARG 16 H ARG 16 0.377 4.219 -4.685 112 HA ARG 16 HA ARG 16 -0.148 2.496 -7.015 113 HB2 ARG 16 HB2 ARG 16 2.052 4.498 -6.623 114 HB3 ARG 16 HB1 ARG 16 2.289 3.108 -7.671 115 HG2 ARG 16 HG2 ARG 16 1.615 4.816 -9.107 116 HG3 ARG 16 HG1 ARG 16 0.159 3.853 -8.861 117 HD2 ARG 16 HD2 ARG 16 -0.538 5.482 -7.109 118 HD3 ARG 16 HD1 ARG 16 0.854 6.474 -7.539 119 HE ARG 16 HE ARG 16 -0.261 7.183 -9.407 120 HH11 ARG 16 HH11 ARG 16 -1.986 4.452 -8.036 121 HH12 ARG 16 HH12 ARG 16 -3.294 4.556 -9.168 122 HH21 ARG 16 HH21 ARG 16 -1.993 7.314 -10.899 123 HH22 ARG 16 HH22 ARG 16 -3.301 6.184 -10.793 124 H VAL 17 H VAL 17 0.845 0.574 -7.117 125 HA VAL 17 HA VAL 17 1.753 -0.585 -4.682 126 HB VAL 17 HB VAL 17 2.051 -2.645 -5.977 127 HG11 VAL 17 HG11 VAL 17 -0.293 -1.458 -5.380 128 HG12 VAL 17 HG21 VAL 17 -0.161 -3.067 -6.091 129 HG13 VAL 17 3HG1 VAL 17 -0.484 -1.672 -7.121 130 HG21 VAL 17 HG12 VAL 17 1.838 -2.793 -8.310 131 HG22 VAL 17 HG22 VAL 17 2.882 -1.396 -8.043 132 HG23 VAL 17 HG23 VAL 17 1.179 -1.162 -8.440 133 H ARG 18 H ARG 18 3.784 -1.479 -4.220 134 HA ARG 18 HA ARG 18 5.995 -0.469 -5.884 135 HB2 ARG 18 HB2 ARG 18 5.796 -0.487 -2.873 136 HB3 ARG 18 HB1 ARG 18 7.300 -0.218 -3.745 137 HG2 ARG 18 HG2 ARG 18 4.828 1.494 -3.830 138 HG3 ARG 18 HG1 ARG 18 6.384 1.896 -3.099 139 HD2 ARG 18 HD2 ARG 18 5.863 1.420 -6.030 140 HD3 ARG 18 HD1 ARG 18 6.123 2.986 -5.263 141 HE ARG 18 HE ARG 18 8.343 1.537 -4.618 142 HH11 ARG 18 HH11 ARG 18 6.747 2.355 -7.611 143 HH12 ARG 18 HH12 ARG 18 8.209 2.415 -8.537 144 HH21 ARG 18 HH21 ARG 18 10.293 1.605 -5.826 145 HH22 ARG 18 HH22 ARG 18 10.238 1.983 -7.515 146 H GLY 19 H GLY 19 4.783 -2.998 -3.791 147 HA2 GLY 19 HA2 GLY 19 6.161 -5.034 -5.132 148 HA3 GLY 19 HA1 GLY 19 7.078 -4.611 -3.690 149 H THR 20 H THR 20 6.682 -6.659 -2.767 150 HA THR 20 HA THR 20 3.954 -6.944 -1.706 151 HB THR 20 HB THR 20 4.446 -9.465 -1.734 152 HG1 THR 20 HG1 THR 20 6.643 -9.355 -2.312 153 HG21 THR 20 HG12 THR 20 3.398 -7.705 -3.750 154 HG22 THR 20 HG22 THR 20 2.871 -9.329 -3.306 155 HG23 THR 20 HG23 THR 20 4.143 -9.112 -4.509 156 H CYS 21 H CYS 21 3.796 -7.539 0.424 157 HA CYS 21 HA CYS 21 6.303 -7.447 1.933 158 HB2 CYS 21 HB2 CYS 21 3.453 -7.223 2.923 159 HB3 CYS 21 HB1 CYS 21 4.904 -6.996 3.894 160 H GLY 22 H GLY 22 3.455 -9.469 1.415 161 HA2 GLY 22 HA2 GLY 22 4.755 -11.880 1.802 162 HA3 GLY 22 HA1 GLY 22 4.120 -11.417 3.375 163 H ILE 23 H ILE 23 2.746 -13.258 3.331 164 HA ILE 23 HA ILE 23 0.895 -13.783 1.290 165 HB ILE 23 HB ILE 23 -0.391 -15.032 3.068 166 HG12 ILE 23 HG21 ILE 23 1.991 -14.266 4.778 167 HG13 ILE 23 HG11 ILE 23 0.354 -13.657 4.996 168 HG21 ILE 23 HG12 ILE 23 1.768 -16.560 3.478 169 HG22 ILE 23 HG22 ILE 23 2.386 -15.526 2.190 170 HG23 ILE 23 HG23 ILE 23 0.924 -16.477 1.931 171 HD11 ILE 23 HD11 ILE 23 1.119 -15.536 6.518 172 HD12 ILE 23 HD12 ILE 23 0.983 -16.584 5.107 173 HD13 ILE 23 HD13 ILE 23 -0.439 -15.737 5.715 174 H ARG 24 H ARG 24 -0.603 -12.506 0.600 175 HA ARG 24 HA ARG 24 -2.356 -11.084 0.461 176 HB2 ARG 24 HB2 ARG 24 -2.738 -11.804 3.371 177 HB3 ARG 24 HB1 ARG 24 -3.879 -10.861 2.424 178 HG2 ARG 24 HG2 ARG 24 -3.065 -13.711 1.884 179 HG3 ARG 24 HG1 ARG 24 -4.583 -13.180 2.611 180 HD2 ARG 24 HD2 ARG 24 -5.041 -11.890 0.519 181 HD3 ARG 24 HD1 ARG 24 -3.611 -12.636 -0.191 182 HE ARG 24 HE ARG 24 -6.185 -13.795 0.065 183 HH11 ARG 24 HH11 ARG 24 -2.781 -14.623 0.153 184 HH12 ARG 24 HH12 ARG 24 -3.041 -16.281 -0.270 185 HH21 ARG 24 HH21 ARG 24 -6.530 -15.982 -0.497 186 HH22 ARG 24 HH22 ARG 24 -5.178 -17.056 -0.641 187 H PHE 25 H PHE 25 0.301 -10.113 1.085 188 HA PHE 25 HA PHE 25 -0.464 -7.458 2.069 189 HB2 PHE 25 HB2 PHE 25 1.853 -9.084 3.111 190 HB3 PHE 25 HB1 PHE 25 1.845 -7.327 3.163 191 HD1 PHE 25 HD1 PHE 25 -0.065 -10.306 4.309 192 HD2 PHE 25 HD2 PHE 25 0.898 -6.214 4.946 193 HE1 PHE 25 HE1 PHE 25 -1.218 -10.377 6.480 194 HE2 PHE 25 HE2 PHE 25 -0.254 -6.275 7.117 195 HZ PHE 25 HZ PHE 25 -1.312 -8.361 7.889 196 H LEU 26 H LEU 26 0.462 -5.834 0.947 197 HA LEU 26 HA LEU 26 2.802 -6.385 -0.708 198 HB2 LEU 26 HB2 LEU 26 1.889 -5.688 -2.760 199 HB3 LEU 26 HB1 LEU 26 0.749 -6.843 -2.107 200 HG LEU 26 HG LEU 26 0.368 -3.856 -1.899 201 HD11 LEU 26 HD11 LEU 26 -0.081 -3.854 -4.075 202 HD12 LEU 26 HD12 LEU 26 -1.458 -4.898 -3.722 203 HD13 LEU 26 HD13 LEU 26 0.092 -5.607 -4.177 204 HD21 LEU 26 HD21 LEU 26 -2.033 -4.617 -1.645 205 HD22 LEU 26 HD22 LEU 26 -0.959 -4.958 -0.288 206 HD23 LEU 26 HD23 LEU 26 -1.393 -6.244 -1.416 207 H TYR 27 H TYR 27 3.939 -4.476 -1.344 208 HA TYR 27 HA TYR 27 3.646 -2.376 0.597 209 HB2 TYR 27 HB2 TYR 27 5.817 -3.399 -0.513 210 HB3 TYR 27 HB1 TYR 27 5.522 -2.154 -1.720 211 HD1 TYR 27 HD1 TYR 27 4.992 -2.010 1.960 212 HD2 TYR 27 HD2 TYR 27 7.237 -0.605 -1.370 213 HE1 TYR 27 HE1 TYR 27 6.108 -0.370 3.413 214 HE2 TYR 27 HE2 TYR 27 8.359 1.039 0.075 215 HH TYR 27 HH TYR 27 8.142 0.944 3.483 216 H CYS 28 H CYS 28 2.485 -0.594 0.375 217 HA CYS 28 HA CYS 28 1.790 0.322 -2.344 218 HB2 CYS 28 HB2 CYS 28 0.053 0.512 0.126 219 HB3 CYS 28 HB1 CYS 28 -0.395 0.960 -1.514 220 H CYS 29 H CYS 29 1.962 2.504 -2.735 221 HA CYS 29 HA CYS 29 2.712 4.193 -0.446 222 HB2 CYS 29 HB2 CYS 29 3.978 4.160 -3.187 223 HB3 CYS 29 HB1 CYS 29 4.248 5.427 -1.997 224 HA PRO 30 HA PRO 30 -0.695 6.517 -2.210 225 HB2 PRO 30 HB2 PRO 30 -0.608 8.154 0.161 226 HB3 PRO 30 HB1 PRO 30 -1.805 6.938 -0.282 227 HG2 PRO 30 HG2 PRO 30 -0.052 6.683 1.814 228 HG3 PRO 30 HG1 PRO 30 -0.800 5.318 0.968 229 HD2 PRO 30 HD2 PRO 30 1.943 6.471 0.662 230 HD3 PRO 30 HD1 PRO 30 1.420 4.773 0.639 231 H ARG 31 H ARG 31 -0.729 8.401 -3.358 232 HA ARG 31 HA ARG 31 1.538 10.225 -2.932 233 HB2 ARG 31 HB2 ARG 31 0.202 9.404 -5.501 234 HB3 ARG 31 HB1 ARG 31 1.231 10.826 -5.385 235 HG2 ARG 31 HG2 ARG 31 2.000 7.949 -4.985 236 HG3 ARG 31 HG1 ARG 31 2.586 9.077 -6.210 237 HD2 ARG 31 HD2 ARG 31 3.145 9.114 -3.247 238 HD3 ARG 31 HD1 ARG 31 4.295 8.846 -4.555 239 HE ARG 31 HE ARG 31 3.422 11.353 -3.518 240 HH11 ARG 31 HH11 ARG 31 4.561 9.777 -6.430 241 HH12 ARG 31 HH12 ARG 31 5.073 11.248 -7.183 242 HH21 ARG 31 HH21 ARG 31 4.092 13.298 -4.505 243 HH22 ARG 31 HH22 ARG 31 4.806 13.260 -6.083 244 H ARG 32 H ARG 32 -1.819 9.897 -2.977 245 HA ARG 32 HA ARG 32 -2.306 12.485 -2.045 246 HB2 ARG 32 HB2 ARG 32 -3.563 13.449 -3.883 247 HB3 ARG 32 HB1 ARG 32 -1.931 13.097 -4.430 248 HG2 ARG 32 HG2 ARG 32 -2.619 11.328 -5.760 249 HG3 ARG 32 HG1 ARG 32 -4.137 11.131 -4.882 250 HD2 ARG 32 HD2 ARG 32 -3.387 13.337 -6.794 251 HD3 ARG 32 HD1 ARG 32 -4.637 12.112 -7.005 252 HE ARG 32 HE ARG 32 -4.960 14.599 -5.766 253 HH11 ARG 32 HH11 ARG 32 -5.828 11.250 -5.215 254 HH12 ARG 32 HH12 ARG 32 -7.187 11.632 -4.220 255 HH21 ARG 32 HH21 ARG 32 -6.791 15.102 -4.488 256 HH22 ARG 32 HH22 ARG 32 -7.748 13.823 -3.824 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -2.433 9.757 2.473 2 H2 GLY 1 HT2 GLY 1 -2.977 11.289 1.994 3 H3 GLY 1 HT3 GLY 1 -2.892 10.893 3.644 4 HA2 GLY 1 HA1 GLY 1 -0.988 12.212 2.234 5 HA3 GLY 1 HA2 GLY 1 -0.747 11.426 3.791 6 H LEU 2 H LEU 2 0.868 11.765 1.158 7 HA LEU 2 HA LEU 2 1.243 9.166 0.124 8 HB2 LEU 2 HB2 LEU 2 3.270 10.036 -0.919 9 HB3 LEU 2 HB1 LEU 2 1.914 11.118 -1.151 10 HG LEU 2 HG LEU 2 3.916 11.620 1.036 11 HD11 LEU 2 HD11 LEU 2 4.282 11.876 -1.872 12 HD12 LEU 2 HD12 LEU 2 5.477 11.756 -0.580 13 HD13 LEU 2 HD13 LEU 2 4.703 13.303 -0.925 14 HD21 LEU 2 HD21 LEU 2 2.519 13.708 -0.568 15 HD22 LEU 2 HD22 LEU 2 3.041 13.739 1.118 16 HD23 LEU 2 HD23 LEU 2 1.605 12.825 0.655 17 H LEU 3 H LEU 3 1.959 7.500 1.197 18 HA LEU 3 HA LEU 3 4.458 7.492 2.552 19 HB2 LEU 3 HB2 LEU 3 2.692 8.528 4.182 20 HB3 LEU 3 HB1 LEU 3 2.113 6.884 4.335 21 HG LEU 3 HG LEU 3 3.713 7.727 6.128 22 HD11 LEU 3 HD11 LEU 3 4.321 5.198 4.615 23 HD12 LEU 3 HD12 LEU 3 3.216 5.394 5.976 24 HD13 LEU 3 HD13 LEU 3 4.954 5.578 6.216 25 HD21 LEU 3 HD21 LEU 3 5.642 8.602 5.481 26 HD22 LEU 3 HD22 LEU 3 5.330 8.153 3.804 27 HD23 LEU 3 HD23 LEU 3 6.127 7.012 4.888 28 H CYS 4 H CYS 4 5.254 5.520 2.196 29 HA CYS 4 HA CYS 4 3.586 3.475 1.084 30 HB2 CYS 4 HB2 CYS 4 6.520 3.496 1.786 31 HB3 CYS 4 HB1 CYS 4 5.703 2.178 0.950 32 H TYR 5 H TYR 5 2.934 1.564 1.945 33 HA TYR 5 HA TYR 5 3.951 0.660 4.488 34 HB2 TYR 5 HB2 TYR 5 1.931 0.804 5.772 35 HB3 TYR 5 HB1 TYR 5 2.269 2.408 5.142 36 HD1 TYR 5 HD1 TYR 5 0.116 -0.578 4.704 37 HD2 TYR 5 HD2 TYR 5 0.692 3.534 3.773 38 HE1 TYR 5 HE1 TYR 5 -2.161 -0.475 3.791 39 HE2 TYR 5 HE2 TYR 5 -1.588 3.648 2.856 40 HH TYR 5 HH TYR 5 -3.248 1.990 1.841 41 H CYS 6 H CYS 6 2.976 -1.417 5.125 42 HA CYS 6 HA CYS 6 2.576 -3.038 2.784 43 HB2 CYS 6 HB2 CYS 6 3.949 -3.728 4.787 44 HB3 CYS 6 HB1 CYS 6 2.443 -3.899 5.682 45 H GLY 7 H GLY 7 0.659 -2.935 1.845 46 HA2 GLY 7 HA2 GLY 7 -1.783 -2.521 3.325 47 HA3 GLY 7 HA1 GLY 7 -1.621 -2.682 1.582 48 H LYS 8 H LYS 8 -3.427 -3.936 3.630 49 HA LYS 8 HA LYS 8 -2.750 -6.750 3.368 50 HB2 LYS 8 HB2 LYS 8 -4.645 -5.179 5.042 51 HB3 LYS 8 HB1 LYS 8 -5.095 -6.830 4.651 52 HG2 LYS 8 HG2 LYS 8 -3.975 -6.736 6.793 53 HG3 LYS 8 HG1 LYS 8 -3.007 -7.638 5.629 54 HD2 LYS 8 HD2 LYS 8 -1.544 -6.221 6.892 55 HD3 LYS 8 HD1 LYS 8 -1.655 -5.578 5.254 56 HE2 LYS 8 HE2 LYS 8 -3.244 -3.897 6.002 57 HE3 LYS 8 HE1 LYS 8 -3.213 -4.569 7.633 58 HZ1 LYS 8 HZ1 LYS 8 -1.796 -2.609 7.415 59 HZ2 LYS 8 HZ2 LYS 8 -0.877 -3.385 6.223 60 HZ3 LYS 8 HZ3 LYS 8 -0.889 -3.980 7.808 61 H GLY 9 H GLY 9 -3.446 -7.887 1.703 62 HA2 GLY 9 HA2 GLY 9 -4.880 -8.718 0.107 63 HA3 GLY 9 HA1 GLY 9 -6.128 -7.646 0.718 64 H HIS 10 H HIS 10 -5.175 -5.148 0.301 65 HA HIS 10 HA HIS 10 -3.843 -4.641 -2.087 66 HB2 HIS 10 HB2 HIS 10 -5.691 -4.053 -3.631 67 HB3 HIS 10 HB1 HIS 10 -5.589 -5.772 -3.300 68 HD1 HIS 10 HD1 HIS 10 -8.147 -5.142 -4.413 69 HD2 HIS 10 HD2 HIS 10 -7.463 -4.508 -0.362 70 HE1 HIS 10 HE1 HIS 10 -10.421 -5.101 -3.345 71 HE2 HIS 10 HE2 HIS 10 -9.977 -4.840 -0.881 72 H CYS 11 H CYS 11 -3.906 -2.466 -2.768 73 HA CYS 11 HA CYS 11 -4.352 -0.624 -0.611 74 HB2 CYS 11 HB2 CYS 11 -3.601 0.157 -3.413 75 HB3 CYS 11 HB1 CYS 11 -3.100 0.887 -1.891 76 H LYS 12 H LYS 12 -5.382 1.563 -1.168 77 HA LYS 12 HA LYS 12 -8.071 1.049 -2.124 78 HB2 LYS 12 HB2 LYS 12 -7.192 3.827 -1.502 79 HB3 LYS 12 HB1 LYS 12 -8.707 3.025 -1.125 80 HG2 LYS 12 HG2 LYS 12 -6.083 2.747 0.318 81 HG3 LYS 12 HG1 LYS 12 -7.561 3.502 0.909 82 HD2 LYS 12 HD2 LYS 12 -8.666 1.408 1.070 83 HD3 LYS 12 HD1 LYS 12 -7.388 0.590 0.165 84 HE2 LYS 12 HE2 LYS 12 -5.812 1.212 2.013 85 HE3 LYS 12 HE1 LYS 12 -7.209 1.778 2.928 86 HZ1 LYS 12 HZ1 LYS 12 -8.073 -0.610 2.380 87 HZ2 LYS 12 HZ2 LYS 12 -7.031 -0.344 3.685 88 HZ3 LYS 12 HZ3 LYS 12 -6.424 -0.952 2.229 89 H ARG 13 H ARG 13 -9.090 2.504 -3.722 90 HA ARG 13 HA ARG 13 -7.611 2.601 -6.138 91 HB2 ARG 13 HB2 ARG 13 -10.295 3.762 -5.378 92 HB3 ARG 13 HB1 ARG 13 -9.634 3.841 -7.004 93 HG2 ARG 13 HG2 ARG 13 -9.588 1.394 -7.099 94 HG3 ARG 13 HG1 ARG 13 -10.269 1.328 -5.471 95 HD2 ARG 13 HD2 ARG 13 -11.991 1.015 -7.188 96 HD3 ARG 13 HD1 ARG 13 -12.271 2.472 -6.239 97 HE ARG 13 HE ARG 13 -12.062 3.699 -8.143 98 HH11 ARG 13 HH11 ARG 13 -10.626 0.557 -8.728 99 HH12 ARG 13 HH12 ARG 13 -10.268 0.884 -10.391 100 HH21 ARG 13 HH21 ARG 13 -11.587 4.139 -10.336 101 HH22 ARG 13 HH22 ARG 13 -10.817 2.929 -11.308 102 H GLY 14 H GLY 14 -5.820 3.879 -5.207 103 HA2 GLY 14 HA2 GLY 14 -5.688 6.452 -6.248 104 HA3 GLY 14 HA1 GLY 14 -6.106 6.617 -4.545 105 H GLU 15 H GLU 15 -4.616 4.096 -3.930 106 HA GLU 15 HA GLU 15 -2.066 5.351 -3.463 107 HB2 GLU 15 HB2 GLU 15 -2.887 2.508 -2.900 108 HB3 GLU 15 HB1 GLU 15 -1.507 3.348 -2.224 109 HG2 GLU 15 HG2 GLU 15 -3.032 4.867 -1.058 110 HG3 GLU 15 HG1 GLU 15 -4.404 3.970 -1.713 111 H ARG 16 H ARG 16 -0.067 4.703 -4.280 112 HA ARG 16 HA ARG 16 -0.172 3.495 -6.910 113 HB2 ARG 16 HB2 ARG 16 2.115 4.668 -5.312 114 HB3 ARG 16 HB1 ARG 16 2.280 4.025 -6.940 115 HG2 ARG 16 HG2 ARG 16 0.993 5.741 -7.873 116 HG3 ARG 16 HG1 ARG 16 0.333 6.214 -6.308 117 HD2 ARG 16 HD2 ARG 16 3.248 6.457 -7.041 118 HD3 ARG 16 HD1 ARG 16 2.077 7.762 -7.237 119 HE ARG 16 HE ARG 16 1.981 6.787 -4.588 120 HH11 ARG 16 HH11 ARG 16 4.082 8.634 -6.700 121 HH12 ARG 16 HH12 ARG 16 4.764 9.572 -5.413 122 HH21 ARG 16 HH21 ARG 16 2.848 8.044 -2.892 123 HH22 ARG 16 HH22 ARG 16 4.066 9.231 -3.240 124 H VAL 17 H VAL 17 0.210 1.433 -7.319 125 HA VAL 17 HA VAL 17 0.838 -0.392 -5.202 126 HB VAL 17 HB VAL 17 -0.751 -1.106 -6.857 127 HG11 VAL 17 HG11 VAL 17 1.103 -1.366 -9.110 128 HG12 VAL 17 HG21 VAL 17 0.716 0.297 -8.670 129 HG13 VAL 17 3HG1 VAL 17 -0.577 -0.832 -9.075 130 HG21 VAL 17 HG12 VAL 17 -0.055 -3.250 -7.027 131 HG22 VAL 17 HG22 VAL 17 1.247 -2.668 -5.988 132 HG23 VAL 17 HG23 VAL 17 1.501 -2.805 -7.728 133 H ARG 18 H ARG 18 2.760 -1.331 -4.712 134 HA ARG 18 HA ARG 18 5.013 -0.659 -6.490 135 HB2 ARG 18 HB2 ARG 18 4.973 -1.071 -3.502 136 HB3 ARG 18 HB1 ARG 18 6.450 -0.934 -4.449 137 HG2 ARG 18 HG2 ARG 18 4.325 1.156 -4.057 138 HG3 ARG 18 HG1 ARG 18 5.999 1.195 -3.498 139 HD2 ARG 18 HD2 ARG 18 5.088 1.210 -6.373 140 HD3 ARG 18 HD1 ARG 18 5.687 2.601 -5.472 141 HE ARG 18 HE ARG 18 7.713 0.833 -5.260 142 HH11 ARG 18 HH11 ARG 18 5.873 1.969 -8.000 143 HH12 ARG 18 HH12 ARG 18 7.206 1.885 -9.104 144 HH21 ARG 18 HH21 ARG 18 9.489 0.708 -6.707 145 HH22 ARG 18 HH22 ARG 18 9.272 1.162 -8.365 146 H GLY 19 H GLY 19 3.727 -3.195 -4.375 147 HA2 GLY 19 HA2 GLY 19 4.184 -5.324 -6.047 148 HA3 GLY 19 HA1 GLY 19 5.688 -5.125 -5.153 149 H THR 20 H THR 20 5.519 -7.026 -3.980 150 HA THR 20 HA THR 20 3.199 -7.240 -2.187 151 HB THR 20 HB THR 20 4.106 -9.604 -1.822 152 HG1 THR 20 HG1 THR 20 6.172 -9.219 -2.782 153 HG21 THR 20 HG12 THR 20 2.264 -9.882 -3.076 154 HG22 THR 20 HG22 THR 20 3.373 -10.058 -4.435 155 HG23 THR 20 HG23 THR 20 2.640 -8.491 -4.092 156 H CYS 21 H CYS 21 3.492 -7.406 0.045 157 HA CYS 21 HA CYS 21 6.270 -7.004 0.963 158 HB2 CYS 21 HB2 CYS 21 5.273 -5.674 2.864 159 HB3 CYS 21 HB1 CYS 21 5.197 -4.910 1.282 160 H GLY 22 H GLY 22 4.148 -9.288 0.787 161 HA2 GLY 22 HA2 GLY 22 5.117 -11.008 2.629 162 HA3 GLY 22 HA1 GLY 22 3.908 -10.113 3.541 163 H ILE 23 H ILE 23 3.150 -12.488 3.612 164 HA ILE 23 HA ILE 23 1.955 -13.615 1.313 165 HB ILE 23 HB ILE 23 0.635 -14.999 2.962 166 HG12 ILE 23 HG21 ILE 23 2.382 -13.566 4.981 167 HG13 ILE 23 HG11 ILE 23 0.645 -13.342 4.811 168 HG21 ILE 23 HG12 ILE 23 3.322 -15.457 3.913 169 HG22 ILE 23 HG22 ILE 23 3.301 -15.109 2.184 170 HG23 ILE 23 HG23 ILE 23 2.328 -16.431 2.829 171 HD11 ILE 23 HD11 ILE 23 0.269 -15.656 5.438 172 HD12 ILE 23 HD12 ILE 23 1.201 -14.811 6.675 173 HD13 ILE 23 HD13 ILE 23 2.009 -15.917 5.562 174 H ARG 24 H ARG 24 0.355 -12.797 0.222 175 HA ARG 24 HA ARG 24 -1.590 -11.794 -0.378 176 HB2 ARG 24 HB2 ARG 24 -2.503 -13.445 1.317 177 HB3 ARG 24 HB1 ARG 24 -2.466 -12.144 2.496 178 HG2 ARG 24 HG2 ARG 24 -4.018 -10.853 1.086 179 HG3 ARG 24 HG1 ARG 24 -4.089 -12.210 -0.042 180 HD2 ARG 24 HD2 ARG 24 -4.987 -13.641 1.710 181 HD3 ARG 24 HD1 ARG 24 -4.868 -12.321 2.871 182 HE ARG 24 HE ARG 24 -6.839 -11.512 2.080 183 HH11 ARG 24 HH11 ARG 24 -5.527 -13.684 -0.333 184 HH12 ARG 24 HH12 ARG 24 -6.894 -13.550 -1.388 185 HH21 ARG 24 HH21 ARG 24 -8.658 -11.346 0.697 186 HH22 ARG 24 HH22 ARG 24 -8.678 -12.219 -0.800 187 H PHE 25 H PHE 25 0.715 -10.342 0.850 188 HA PHE 25 HA PHE 25 -0.697 -7.885 1.658 189 HB2 PHE 25 HB2 PHE 25 2.105 -8.792 2.339 190 HB3 PHE 25 HB1 PHE 25 1.439 -7.207 2.724 191 HD1 PHE 25 HD2 PHE 25 -1.389 -8.526 3.334 192 HD2 PHE 25 HD1 PHE 25 2.589 -9.185 4.691 193 HE1 PHE 25 HE2 PHE 25 -2.263 -9.413 5.455 194 HE2 PHE 25 HE1 PHE 25 1.721 -10.070 6.816 195 HZ PHE 25 HZ PHE 25 -0.708 -10.186 7.200 196 H LEU 26 H LEU 26 -0.293 -6.045 0.595 197 HA LEU 26 HA LEU 26 1.583 -6.163 -1.682 198 HB2 LEU 26 HB2 LEU 26 -0.972 -6.259 -2.103 199 HB3 LEU 26 HB1 LEU 26 -0.971 -4.571 -1.645 200 HG LEU 26 HG LEU 26 0.802 -5.534 -3.869 201 HD11 LEU 26 HD11 LEU 26 -1.916 -4.449 -4.438 202 HD12 LEU 26 HD12 LEU 26 -1.743 -6.163 -4.062 203 HD13 LEU 26 HD13 LEU 26 -0.878 -5.472 -5.434 204 HD21 LEU 26 HD21 LEU 26 0.574 -3.251 -4.634 205 HD22 LEU 26 HD22 LEU 26 1.101 -3.262 -2.951 206 HD23 LEU 26 HD23 LEU 26 -0.580 -2.904 -3.346 207 H TYR 27 H TYR 27 2.957 -4.429 -1.907 208 HA TYR 27 HA TYR 27 3.100 -2.565 0.288 209 HB2 TYR 27 HB2 TYR 27 5.057 -3.636 -1.083 210 HB3 TYR 27 HB1 TYR 27 4.747 -2.322 -2.213 211 HD1 TYR 27 HD2 TYR 27 4.647 -2.335 1.509 212 HD2 TYR 27 HD1 TYR 27 6.567 -0.879 -1.996 213 HE1 TYR 27 HE2 TYR 27 6.025 -0.844 2.892 214 HE2 TYR 27 HE1 TYR 27 7.953 0.615 -0.621 215 HH TYR 27 HH TYR 27 8.736 0.844 1.635 216 H CYS 28 H CYS 28 1.955 -0.771 0.384 217 HA CYS 28 HA CYS 28 0.946 0.400 -2.114 218 HB2 CYS 28 HB2 CYS 28 -0.091 0.718 0.708 219 HB3 CYS 28 HB1 CYS 28 -0.855 1.320 -0.760 220 H CYS 29 H CYS 29 1.209 2.516 -2.577 221 HA CYS 29 HA CYS 29 2.509 4.259 -0.618 222 HB2 CYS 29 HB2 CYS 29 3.500 3.849 -3.455 223 HB3 CYS 29 HB1 CYS 29 4.075 5.098 -2.359 224 HA PRO 30 HA PRO 30 -1.194 6.118 -2.739 225 HB2 PRO 30 HB2 PRO 30 -1.762 7.751 -0.590 226 HB3 PRO 30 HB1 PRO 30 -2.416 6.121 -0.833 227 HG2 PRO 30 HG2 PRO 30 -0.083 6.994 0.836 228 HG3 PRO 30 HG1 PRO 30 -1.374 5.843 1.231 229 HD2 PRO 30 HD2 PRO 30 1.034 4.983 0.472 230 HD3 PRO 30 HD1 PRO 30 -0.439 4.158 -0.081 231 H ARG 31 H ARG 31 -1.477 8.164 -3.634 232 HA ARG 31 HA ARG 31 0.919 9.852 -3.491 233 HB2 ARG 31 HB2 ARG 31 0.038 10.777 -5.701 234 HB3 ARG 31 HB1 ARG 31 0.659 9.137 -5.705 235 HG2 ARG 31 HG2 ARG 31 -1.265 9.027 -7.004 236 HG3 ARG 31 HG1 ARG 31 -1.773 8.400 -5.437 237 HD2 ARG 31 HD2 ARG 31 -3.419 9.949 -6.427 238 HD3 ARG 31 HD1 ARG 31 -2.794 10.517 -4.878 239 HE ARG 31 HE ARG 31 -1.216 11.646 -6.869 240 HH11 ARG 31 HH11 ARG 31 -4.551 11.755 -5.845 241 HH12 ARG 31 HH12 ARG 31 -4.793 13.395 -6.348 242 HH21 ARG 31 HH21 ARG 31 -1.514 13.816 -7.536 243 HH22 ARG 31 HH22 ARG 31 -3.055 14.573 -7.315 244 H ARG 32 H ARG 32 -1.494 9.900 -1.695 245 HA ARG 32 HA ARG 32 -1.587 12.634 -1.190 246 HB2 ARG 32 HB2 ARG 32 -3.036 12.431 -3.361 247 HB3 ARG 32 HB1 ARG 32 -4.243 11.738 -2.288 248 HG2 ARG 32 HG2 ARG 32 -3.321 14.094 -1.050 249 HG3 ARG 32 HG1 ARG 32 -3.602 14.483 -2.746 250 HD2 ARG 32 HD2 ARG 32 -5.623 14.894 -1.530 251 HD3 ARG 32 HD1 ARG 32 -5.865 13.469 -2.537 252 HE ARG 32 HE ARG 32 -4.991 12.606 -0.025 253 HH11 ARG 32 HH11 ARG 32 -7.780 14.211 -1.429 254 HH12 ARG 32 HH12 ARG 32 -8.893 13.587 -0.258 255 HH21 ARG 32 HH21 ARG 32 -6.458 11.784 1.516 256 HH22 ARG 32 HH22 ARG 32 -8.138 12.201 1.427 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 9.678 8.945 1.103 2 H2 GLY 1 HT2 GLY 1 10.123 8.597 -0.490 3 H3 GLY 1 HT3 GLY 1 8.990 7.623 0.302 4 HA2 GLY 1 HA1 GLY 1 8.176 10.349 0.300 5 HA3 GLY 1 HA2 GLY 1 8.444 9.747 -1.333 6 H LEU 2 H LEU 2 5.950 10.434 0.175 7 HA LEU 2 HA LEU 2 3.799 9.734 0.200 8 HB2 LEU 2 HB2 LEU 2 4.974 7.482 -1.400 9 HB3 LEU 2 HB1 LEU 2 3.311 7.411 -0.856 10 HG LEU 2 HG LEU 2 2.878 9.552 -2.073 11 HD11 LEU 2 HD11 LEU 2 5.650 9.699 -2.220 12 HD12 LEU 2 HD12 LEU 2 4.487 10.742 -3.038 13 HD13 LEU 2 HD13 LEU 2 5.131 9.323 -3.864 14 HD21 LEU 2 HD21 LEU 2 2.517 8.505 -4.114 15 HD22 LEU 2 HD22 LEU 2 2.564 7.161 -2.973 16 HD23 LEU 2 HD23 LEU 2 3.970 7.516 -3.977 17 H LEU 3 H LEU 3 2.406 8.502 1.504 18 HA LEU 3 HA LEU 3 3.715 7.324 3.787 19 HB2 LEU 3 HB2 LEU 3 1.427 8.767 3.471 20 HB3 LEU 3 HB1 LEU 3 0.777 7.142 3.552 21 HG LEU 3 HG LEU 3 0.747 8.206 5.745 22 HD11 LEU 3 HD11 LEU 3 1.959 5.701 5.157 23 HD12 LEU 3 HD12 LEU 3 1.021 6.174 6.574 24 HD13 LEU 3 HD13 LEU 3 2.768 6.407 6.556 25 HD21 LEU 3 HD21 LEU 3 2.975 9.489 5.064 26 HD22 LEU 3 HD22 LEU 3 3.698 8.169 5.981 27 HD23 LEU 3 HD23 LEU 3 2.509 9.226 6.744 28 H CYS 4 H CYS 4 4.568 5.660 2.110 29 HA CYS 4 HA CYS 4 2.855 3.633 1.162 30 HB2 CYS 4 HB2 CYS 4 5.802 3.395 1.767 31 HB3 CYS 4 HB1 CYS 4 4.857 2.372 0.692 32 H TYR 5 H TYR 5 2.199 1.743 1.976 33 HA TYR 5 HA TYR 5 3.319 0.620 4.371 34 HB2 TYR 5 HB2 TYR 5 0.996 0.538 5.489 35 HB3 TYR 5 HB1 TYR 5 1.922 2.026 5.607 36 HD1 TYR 5 HD2 TYR 5 -0.323 0.705 2.896 37 HD2 TYR 5 HD1 TYR 5 0.447 3.774 5.743 38 HE1 TYR 5 HE2 TYR 5 -2.254 1.973 2.047 39 HE2 TYR 5 HE1 TYR 5 -1.482 5.044 4.904 40 HH TYR 5 HH TYR 5 -3.302 3.978 2.066 41 H CYS 6 H CYS 6 2.313 -1.500 4.876 42 HA CYS 6 HA CYS 6 1.824 -2.880 2.411 43 HB2 CYS 6 HB2 CYS 6 1.927 -3.885 5.258 44 HB3 CYS 6 HB1 CYS 6 1.813 -4.913 3.833 45 H GLY 7 H GLY 7 -0.053 -3.147 1.506 46 HA2 GLY 7 HA2 GLY 7 -2.513 -2.807 3.027 47 HA3 GLY 7 HA1 GLY 7 -2.370 -2.909 1.276 48 H LYS 8 H LYS 8 -4.219 -4.326 2.935 49 HA LYS 8 HA LYS 8 -3.280 -7.071 3.013 50 HB2 LYS 8 HB2 LYS 8 -5.878 -5.763 3.821 51 HB3 LYS 8 HB1 LYS 8 -5.618 -7.500 3.889 52 HG2 LYS 8 HG2 LYS 8 -3.934 -5.483 5.356 53 HG3 LYS 8 HG1 LYS 8 -5.316 -6.328 6.056 54 HD2 LYS 8 HD2 LYS 8 -2.870 -7.670 4.904 55 HD3 LYS 8 HD1 LYS 8 -3.150 -7.380 6.622 56 HE2 LYS 8 HE2 LYS 8 -5.133 -8.781 6.559 57 HE3 LYS 8 HE1 LYS 8 -4.933 -9.022 4.824 58 HZ1 LYS 8 HZ1 LYS 8 -3.118 -9.964 6.975 59 HZ2 LYS 8 HZ2 LYS 8 -2.761 -10.071 5.326 60 HZ3 LYS 8 HZ3 LYS 8 -4.080 -10.919 5.962 61 H GLY 9 H GLY 9 -3.246 -8.121 1.133 62 HA2 GLY 9 HA2 GLY 9 -4.092 -9.223 -0.699 63 HA3 GLY 9 HA1 GLY 9 -5.679 -8.621 -0.265 64 H HIS 10 H HIS 10 -5.128 -5.836 -0.452 65 HA HIS 10 HA HIS 10 -4.021 -5.254 -3.029 66 HB2 HIS 10 HB2 HIS 10 -6.128 -4.481 -4.082 67 HB3 HIS 10 HB1 HIS 10 -6.108 -6.216 -3.817 68 HD1 HIS 10 HD1 HIS 10 -8.803 -5.291 -4.252 69 HD2 HIS 10 HD2 HIS 10 -7.083 -4.960 -0.480 70 HE1 HIS 10 HE1 HIS 10 -10.728 -5.106 -2.645 71 HE2 HIS 10 HE2 HIS 10 -9.665 -4.900 -0.370 72 H CYS 11 H CYS 11 -4.015 -3.007 -3.512 73 HA CYS 11 HA CYS 11 -3.948 -1.359 -1.156 74 HB2 CYS 11 HB2 CYS 11 -3.605 -0.452 -4.015 75 HB3 CYS 11 HB1 CYS 11 -2.993 0.322 -2.558 76 H LYS 12 H LYS 12 -4.998 0.763 -1.114 77 HA LYS 12 HA LYS 12 -7.803 0.537 -1.778 78 HB2 LYS 12 HB2 LYS 12 -7.758 1.601 0.217 79 HB3 LYS 12 HB1 LYS 12 -6.103 2.141 -0.004 80 HG2 LYS 12 HG2 LYS 12 -7.404 3.779 -1.726 81 HG3 LYS 12 HG1 LYS 12 -8.636 3.544 -0.482 82 HD2 LYS 12 HD2 LYS 12 -7.303 4.454 1.192 83 HD3 LYS 12 HD1 LYS 12 -5.814 4.197 0.278 84 HE2 LYS 12 HE2 LYS 12 -6.811 5.891 -1.393 85 HE3 LYS 12 HE1 LYS 12 -7.906 6.317 -0.078 86 HZ1 LYS 12 HZ1 LYS 12 -6.214 7.190 1.165 87 HZ2 LYS 12 HZ2 LYS 12 -5.651 7.564 -0.390 88 HZ3 LYS 12 HZ3 LYS 12 -5.020 6.228 0.449 89 H ARG 13 H ARG 13 -8.945 2.099 -3.082 90 HA ARG 13 HA ARG 13 -7.811 2.611 -5.548 91 HB2 ARG 13 HB2 ARG 13 -9.731 4.284 -5.824 92 HB3 ARG 13 HB1 ARG 13 -10.155 2.615 -5.484 93 HG2 ARG 13 HG2 ARG 13 -11.584 3.798 -4.110 94 HG3 ARG 13 HG1 ARG 13 -10.263 3.385 -3.020 95 HD2 ARG 13 HD2 ARG 13 -10.835 5.670 -2.643 96 HD3 ARG 13 HD1 ARG 13 -9.283 5.633 -3.475 97 HE ARG 13 HE ARG 13 -11.530 5.919 -5.242 98 HH11 ARG 13 HH11 ARG 13 -9.153 7.588 -3.285 99 HH12 ARG 13 HH12 ARG 13 -9.411 9.121 -4.038 100 HH21 ARG 13 HH21 ARG 13 -11.883 7.946 -6.252 101 HH22 ARG 13 HH22 ARG 13 -10.977 9.327 -5.735 102 H GLY 14 H GLY 14 -6.579 4.172 -6.413 103 HA2 GLY 14 HA2 GLY 14 -5.812 6.430 -6.597 104 HA3 GLY 14 HA1 GLY 14 -6.194 6.661 -4.898 105 H GLU 15 H GLU 15 -4.893 4.036 -4.237 106 HA GLU 15 HA GLU 15 -2.233 5.118 -3.904 107 HB2 GLU 15 HB2 GLU 15 -3.098 2.356 -3.091 108 HB3 GLU 15 HB1 GLU 15 -1.851 3.365 -2.378 109 HG2 GLU 15 HG2 GLU 15 -3.622 4.914 -1.614 110 HG3 GLU 15 HG1 GLU 15 -4.822 3.772 -2.217 111 H ARG 16 H ARG 16 -0.300 4.129 -4.626 112 HA ARG 16 HA ARG 16 -0.701 2.449 -7.010 113 HB2 ARG 16 HB2 ARG 16 0.333 4.682 -7.391 114 HB3 ARG 16 HB1 ARG 16 1.660 4.216 -6.337 115 HG2 ARG 16 HG2 ARG 16 2.250 3.995 -8.694 116 HG3 ARG 16 HG1 ARG 16 2.283 2.437 -7.867 117 HD2 ARG 16 HD2 ARG 16 1.235 2.261 -10.072 118 HD3 ARG 16 HD1 ARG 16 0.097 1.882 -8.782 119 HE ARG 16 HE ARG 16 -1.192 3.626 -9.473 120 HH11 ARG 16 HH11 ARG 16 2.041 4.117 -10.732 121 HH12 ARG 16 HH12 ARG 16 1.614 5.526 -11.643 122 HH21 ARG 16 HH21 ARG 16 -1.764 5.481 -10.685 123 HH22 ARG 16 HH22 ARG 16 -0.558 6.303 -11.618 124 H VAL 17 H VAL 17 0.106 0.455 -7.024 125 HA VAL 17 HA VAL 17 1.178 -0.681 -4.674 126 HB VAL 17 HB VAL 17 -0.156 -2.033 -6.166 127 HG11 VAL 17 HG11 VAL 17 1.628 -2.643 -8.281 128 HG12 VAL 17 HG21 VAL 17 1.457 -0.889 -8.201 129 HG13 VAL 17 3HG1 VAL 17 0.026 -1.908 -8.367 130 HG21 VAL 17 HG12 VAL 17 2.684 -2.886 -5.760 131 HG22 VAL 17 HG22 VAL 17 1.529 -3.950 -6.562 132 HG23 VAL 17 HG23 VAL 17 1.227 -3.407 -4.912 133 H ARG 18 H ARG 18 3.180 -0.970 -4.006 134 HA ARG 18 HA ARG 18 5.359 0.065 -5.654 135 HB2 ARG 18 HB2 ARG 18 5.046 0.965 -3.371 136 HB3 ARG 18 HB1 ARG 18 5.304 -0.642 -2.714 137 HG2 ARG 18 HG2 ARG 18 7.292 0.724 -2.485 138 HG3 ARG 18 HG1 ARG 18 7.590 -0.634 -3.569 139 HD2 ARG 18 HD2 ARG 18 6.811 2.080 -4.597 140 HD3 ARG 18 HD1 ARG 18 8.490 1.662 -4.260 141 HE ARG 18 HE ARG 18 7.451 -0.346 -5.882 142 HH11 ARG 18 HH11 ARG 18 8.148 3.078 -6.093 143 HH12 ARG 18 HH12 ARG 18 8.392 3.056 -7.807 144 HH21 ARG 18 HH21 ARG 18 7.767 -0.389 -8.134 145 HH22 ARG 18 HH22 ARG 18 8.172 1.069 -8.976 146 H GLY 19 H GLY 19 4.388 -2.812 -3.851 147 HA2 GLY 19 HA2 GLY 19 5.507 -4.668 -5.562 148 HA3 GLY 19 HA1 GLY 19 6.759 -4.300 -4.381 149 H THR 20 H THR 20 6.541 -6.580 -3.773 150 HA THR 20 HA THR 20 4.087 -7.332 -2.411 151 HB THR 20 HB THR 20 5.435 -9.480 -1.987 152 HG1 THR 20 HG1 THR 20 7.506 -8.764 -2.428 153 HG21 THR 20 HG12 THR 20 4.074 -8.493 -4.318 154 HG22 THR 20 HG22 THR 20 4.096 -10.125 -3.650 155 HG23 THR 20 HG23 THR 20 5.342 -9.622 -4.793 156 H CYS 21 H CYS 21 3.892 -7.708 -0.218 157 HA CYS 21 HA CYS 21 6.110 -6.685 1.428 158 HB2 CYS 21 HB2 CYS 21 4.078 -5.329 1.583 159 HB3 CYS 21 HB1 CYS 21 3.144 -6.753 2.026 160 H GLY 22 H GLY 22 3.635 -9.208 1.176 161 HA2 GLY 22 HA2 GLY 22 5.265 -11.246 2.144 162 HA3 GLY 22 HA1 GLY 22 4.361 -10.616 3.516 163 H ILE 23 H ILE 23 3.353 -12.716 3.664 164 HA ILE 23 HA ILE 23 1.823 -13.797 1.558 165 HB ILE 23 HB ILE 23 0.663 -15.155 3.269 166 HG12 ILE 23 HG21 ILE 23 0.853 -13.407 5.116 167 HG13 ILE 23 HG11 ILE 23 1.175 -15.070 5.584 168 HG21 ILE 23 HG12 ILE 23 2.401 -16.377 2.566 169 HG22 ILE 23 HG22 ILE 23 3.031 -16.069 4.185 170 HG23 ILE 23 HG23 ILE 23 3.561 -15.075 2.828 171 HD11 ILE 23 HD11 ILE 23 2.750 -13.591 6.640 172 HD12 ILE 23 HD12 ILE 23 3.220 -12.920 5.079 173 HD13 ILE 23 HD13 ILE 23 3.591 -14.600 5.463 174 H ARG 24 H ARG 24 0.265 -12.805 0.622 175 HA ARG 24 HA ARG 24 -1.639 -11.668 0.181 176 HB2 ARG 24 HB2 ARG 24 -2.521 -13.369 1.883 177 HB3 ARG 24 HB1 ARG 24 -2.452 -12.066 3.060 178 HG2 ARG 24 HG2 ARG 24 -4.692 -12.299 2.177 179 HG3 ARG 24 HG1 ARG 24 -4.000 -10.752 1.692 180 HD2 ARG 24 HD2 ARG 24 -5.166 -11.748 -0.179 181 HD3 ARG 24 HD1 ARG 24 -3.434 -11.718 -0.503 182 HE ARG 24 HE ARG 24 -4.092 -14.193 0.642 183 HH11 ARG 24 HH11 ARG 24 -4.608 -12.403 -2.320 184 HH12 ARG 24 HH12 ARG 24 -4.776 -13.819 -3.303 185 HH21 ARG 24 HH21 ARG 24 -4.309 -16.074 -0.653 186 HH22 ARG 24 HH22 ARG 24 -4.604 -15.914 -2.351 187 H PHE 25 H PHE 25 0.742 -10.337 1.120 188 HA PHE 25 HA PHE 25 -0.462 -7.798 2.009 189 HB2 PHE 25 HB2 PHE 25 2.062 -9.095 3.017 190 HB3 PHE 25 HB1 PHE 25 1.879 -7.349 3.021 191 HD1 PHE 25 HD1 PHE 25 0.251 -10.453 4.279 192 HD2 PHE 25 HD2 PHE 25 0.940 -6.294 4.824 193 HE1 PHE 25 HE1 PHE 25 -0.811 -10.570 6.494 194 HE2 PHE 25 HE2 PHE 25 -0.123 -6.399 7.039 195 HZ PHE 25 HZ PHE 25 -0.999 -8.543 7.879 196 H LEU 26 H LEU 26 0.257 -6.025 0.912 197 HA LEU 26 HA LEU 26 2.588 -6.341 -0.827 198 HB2 LEU 26 HB2 LEU 26 1.537 -5.576 -2.807 199 HB3 LEU 26 HB1 LEU 26 0.568 -6.896 -2.194 200 HG LEU 26 HG LEU 26 -0.139 -3.990 -1.794 201 HD11 LEU 26 HD11 LEU 26 -1.329 -3.971 -3.728 202 HD12 LEU 26 HD12 LEU 26 -1.620 -5.709 -3.699 203 HD13 LEU 26 HD13 LEU 26 -0.053 -5.086 -4.215 204 HD21 LEU 26 HD21 LEU 26 -1.054 -5.957 -0.318 205 HD22 LEU 26 HD22 LEU 26 -2.067 -6.261 -1.730 206 HD23 LEU 26 HD23 LEU 26 -2.136 -4.698 -0.915 207 H TYR 27 H TYR 27 3.696 -4.432 -1.217 208 HA TYR 27 HA TYR 27 3.177 -2.364 0.714 209 HB2 TYR 27 HB2 TYR 27 5.470 -3.298 -0.265 210 HB3 TYR 27 HB1 TYR 27 5.211 -2.022 -1.449 211 HD1 TYR 27 HD2 TYR 27 4.470 -2.068 2.199 212 HD2 TYR 27 HD1 TYR 27 6.790 -0.381 -0.940 213 HE1 TYR 27 HE2 TYR 27 5.410 -0.436 3.781 214 HE2 TYR 27 HE1 TYR 27 7.740 1.253 0.629 215 HH TYR 27 HH TYR 27 6.450 1.829 3.692 216 H CYS 28 H CYS 28 1.948 -0.634 0.384 217 HA CYS 28 HA CYS 28 1.405 0.161 -2.400 218 HB2 CYS 28 HB2 CYS 28 -0.470 0.381 -0.036 219 HB3 CYS 28 HB1 CYS 28 -0.838 0.787 -1.709 220 H CYS 29 H CYS 29 1.479 2.296 -2.910 221 HA CYS 29 HA CYS 29 2.187 4.164 -0.743 222 HB2 CYS 29 HB2 CYS 29 3.202 4.111 -3.596 223 HB3 CYS 29 HB1 CYS 29 3.538 5.393 -2.439 224 HA PRO 30 HA PRO 30 -1.767 5.618 -2.434 225 HB2 PRO 30 HB2 PRO 30 -2.351 7.206 -0.296 226 HB3 PRO 30 HB1 PRO 30 -2.706 5.477 -0.392 227 HG2 PRO 30 HG2 PRO 30 -0.433 6.874 0.962 228 HG3 PRO 30 HG1 PRO 30 -1.399 5.497 1.525 229 HD2 PRO 30 HD2 PRO 30 1.070 5.197 0.467 230 HD3 PRO 30 HD1 PRO 30 -0.207 3.981 0.263 231 H ARG 31 H ARG 31 -2.169 7.257 -3.668 232 HA ARG 31 HA ARG 31 -0.609 9.730 -3.327 233 HB2 ARG 31 HB2 ARG 31 -0.080 8.270 -5.381 234 HB3 ARG 31 HB1 ARG 31 -1.655 8.768 -5.986 235 HG2 ARG 31 HG2 ARG 31 0.033 10.178 -6.939 236 HG3 ARG 31 HG1 ARG 31 -0.929 11.129 -5.802 237 HD2 ARG 31 HD2 ARG 31 0.837 10.680 -4.080 238 HD3 ARG 31 HD1 ARG 31 1.814 9.961 -5.359 239 HE ARG 31 HE ARG 31 2.366 12.056 -6.054 240 HH11 ARG 31 HH11 ARG 31 -0.515 12.296 -4.070 241 HH12 ARG 31 HH12 ARG 31 -0.535 14.029 -4.085 242 HH21 ARG 31 HH21 ARG 31 2.331 14.347 -6.086 243 HH22 ARG 31 HH22 ARG 31 1.082 15.196 -5.241 244 H ARG 32 H ARG 32 -3.628 8.239 -3.510 245 HA ARG 32 HA ARG 32 -5.013 10.796 -3.317 246 HB2 ARG 32 HB2 ARG 32 -5.807 8.538 -5.172 247 HB3 ARG 32 HB1 ARG 32 -6.874 9.861 -4.733 248 HG2 ARG 32 HG2 ARG 32 -4.250 10.156 -6.175 249 HG3 ARG 32 HG1 ARG 32 -5.843 10.158 -6.934 250 HD2 ARG 32 HD2 ARG 32 -6.435 12.122 -5.503 251 HD3 ARG 32 HD1 ARG 32 -4.758 12.160 -4.955 252 HE ARG 32 HE ARG 32 -4.754 12.181 -7.746 253 HH11 ARG 32 HH11 ARG 32 -5.733 14.252 -5.104 254 HH12 ARG 32 HH12 ARG 32 -5.510 15.720 -5.998 255 HH21 ARG 32 HH21 ARG 32 -4.449 14.111 -8.935 256 HH22 ARG 32 HH22 ARG 32 -4.774 15.638 -8.187 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 9.695 8.671 0.046 2 H2 GLY 1 HT2 GLY 1 10.702 9.633 1.005 3 H3 GLY 1 HT3 GLY 1 9.941 10.298 -0.350 4 HA2 GLY 1 HA1 GLY 1 8.956 9.970 2.313 5 HA3 GLY 1 HA2 GLY 1 8.355 11.001 1.019 6 H LEU 2 H LEU 2 6.203 10.493 1.488 7 HA LEU 2 HA LEU 2 4.233 9.458 1.105 8 HB2 LEU 2 HB2 LEU 2 5.921 7.468 -0.408 9 HB3 LEU 2 HB1 LEU 2 4.171 7.416 -0.341 10 HG LEU 2 HG LEU 2 5.799 9.680 -1.501 11 HD11 LEU 2 HD11 LEU 2 6.023 7.890 -2.996 12 HD12 LEU 2 HD12 LEU 2 4.682 8.841 -3.634 13 HD13 LEU 2 HD13 LEU 2 4.363 7.355 -2.740 14 HD21 LEU 2 HD21 LEU 2 3.519 10.186 -0.452 15 HD22 LEU 2 HD22 LEU 2 2.843 9.250 -1.786 16 HD23 LEU 2 HD23 LEU 2 3.788 10.702 -2.117 17 H LEU 3 H LEU 3 2.957 8.213 2.321 18 HA LEU 3 HA LEU 3 4.189 6.692 4.437 19 HB2 LEU 3 HB2 LEU 3 1.311 7.355 3.820 20 HB3 LEU 3 HB1 LEU 3 1.798 6.379 5.191 21 HG LEU 3 HG LEU 3 3.212 8.401 5.904 22 HD11 LEU 3 HD11 LEU 3 3.013 10.399 4.894 23 HD12 LEU 3 HD12 LEU 3 1.311 10.152 4.502 24 HD13 LEU 3 HD13 LEU 3 2.563 9.424 3.495 25 HD21 LEU 3 HD21 LEU 3 0.202 8.533 5.918 26 HD22 LEU 3 HD22 LEU 3 1.265 9.468 6.970 27 HD23 LEU 3 HD23 LEU 3 1.227 7.709 7.091 28 H CYS 4 H CYS 4 4.990 5.259 2.514 29 HA CYS 4 HA CYS 4 3.252 3.412 1.306 30 HB2 CYS 4 HB2 CYS 4 6.155 2.956 2.000 31 HB3 CYS 4 HB1 CYS 4 5.221 2.148 0.746 32 H TYR 5 H TYR 5 2.508 1.427 1.880 33 HA TYR 5 HA TYR 5 3.544 0.024 4.148 34 HB2 TYR 5 HB2 TYR 5 1.519 0.006 5.510 35 HB3 TYR 5 HB1 TYR 5 2.142 1.637 5.339 36 HD1 TYR 5 HD1 TYR 5 -0.392 -0.646 3.779 37 HD2 TYR 5 HD2 TYR 5 0.657 3.333 4.865 38 HE1 TYR 5 HE1 TYR 5 -2.627 0.121 3.107 39 HE2 TYR 5 HE2 TYR 5 -1.576 4.110 4.191 40 HH TYR 5 HH TYR 5 -3.653 2.348 2.310 41 H CYS 6 H CYS 6 2.368 -2.037 4.507 42 HA CYS 6 HA CYS 6 1.640 -3.110 1.911 43 HB2 CYS 6 HB2 CYS 6 2.187 -4.515 4.529 44 HB3 CYS 6 HB1 CYS 6 1.929 -5.306 2.976 45 H GLY 7 H GLY 7 -0.398 -2.949 1.361 46 HA2 GLY 7 HA2 GLY 7 -2.574 -2.895 3.227 47 HA3 GLY 7 HA1 GLY 7 -2.697 -2.949 1.472 48 H LYS 8 H LYS 8 -4.163 -4.467 3.545 49 HA LYS 8 HA LYS 8 -3.195 -7.179 3.288 50 HB2 LYS 8 HB2 LYS 8 -5.813 -6.219 4.457 51 HB3 LYS 8 HB1 LYS 8 -5.053 -7.785 4.708 52 HG2 LYS 8 HG2 LYS 8 -3.988 -5.127 5.643 53 HG3 LYS 8 HG1 LYS 8 -4.757 -6.357 6.647 54 HD2 LYS 8 HD2 LYS 8 -2.960 -7.890 6.264 55 HD3 LYS 8 HD1 LYS 8 -2.248 -6.831 5.045 56 HE2 LYS 8 HE2 LYS 8 -2.556 -6.154 7.968 57 HE3 LYS 8 HE1 LYS 8 -1.071 -6.732 7.216 58 HZ1 LYS 8 HZ1 LYS 8 -2.476 -4.175 6.685 59 HZ2 LYS 8 HZ2 LYS 8 -1.206 -4.750 5.724 60 HZ3 LYS 8 HZ3 LYS 8 -0.937 -4.384 7.355 61 H GLY 9 H GLY 9 -3.448 -8.149 1.381 62 HA2 GLY 9 HA2 GLY 9 -4.579 -9.178 -0.348 63 HA3 GLY 9 HA1 GLY 9 -6.083 -8.548 0.307 64 H HIS 10 H HIS 10 -5.527 -5.814 0.248 65 HA HIS 10 HA HIS 10 -4.566 -4.951 -2.277 66 HB2 HIS 10 HB2 HIS 10 -6.739 -4.183 -3.225 67 HB3 HIS 10 HB1 HIS 10 -6.578 -5.930 -3.184 68 HD1 HIS 10 HD1 HIS 10 -9.334 -5.197 -3.512 69 HD2 HIS 10 HD2 HIS 10 -7.635 -5.173 0.281 70 HE1 HIS 10 HE1 HIS 10 -11.262 -5.362 -1.908 71 HE2 HIS 10 HE2 HIS 10 -10.217 -5.196 0.377 72 H CYS 11 H CYS 11 -4.333 -2.752 -2.351 73 HA CYS 11 HA CYS 11 -4.726 -1.369 0.155 74 HB2 CYS 11 HB2 CYS 11 -3.560 -0.281 -2.410 75 HB3 CYS 11 HB1 CYS 11 -3.342 0.353 -0.781 76 H LYS 12 H LYS 12 -5.392 1.053 -0.105 77 HA LYS 12 HA LYS 12 -8.097 1.030 -1.113 78 HB2 LYS 12 HB2 LYS 12 -7.591 2.094 1.028 79 HB3 LYS 12 HB1 LYS 12 -6.479 3.202 0.235 80 HG2 LYS 12 HG2 LYS 12 -8.398 4.099 -1.068 81 HG3 LYS 12 HG1 LYS 12 -9.467 3.079 -0.104 82 HD2 LYS 12 HD2 LYS 12 -8.768 4.217 1.922 83 HD3 LYS 12 HD1 LYS 12 -7.618 5.191 1.003 84 HE2 LYS 12 HE2 LYS 12 -9.488 6.153 -0.273 85 HE3 LYS 12 HE1 LYS 12 -10.620 5.208 0.693 86 HZ1 LYS 12 HZ1 LYS 12 -10.642 6.884 2.119 87 HZ2 LYS 12 HZ2 LYS 12 -9.408 7.694 1.294 88 HZ3 LYS 12 HZ3 LYS 12 -9.023 6.562 2.491 89 H ARG 13 H ARG 13 -8.933 2.223 -2.790 90 HA ARG 13 HA ARG 13 -7.283 2.776 -4.994 91 HB2 ARG 13 HB2 ARG 13 -9.697 2.287 -5.197 92 HB3 ARG 13 HB1 ARG 13 -10.069 3.818 -4.417 93 HG2 ARG 13 HG2 ARG 13 -10.350 3.970 -6.825 94 HG3 ARG 13 HG1 ARG 13 -9.047 5.024 -6.276 95 HD2 ARG 13 HD2 ARG 13 -8.381 3.884 -8.302 96 HD3 ARG 13 HD1 ARG 13 -7.410 3.311 -6.948 97 HE ARG 13 HE ARG 13 -9.640 1.623 -7.286 98 HH11 ARG 13 HH11 ARG 13 -6.600 2.435 -8.818 99 HH12 ARG 13 HH12 ARG 13 -6.414 0.888 -9.575 100 HH21 ARG 13 HH21 ARG 13 -9.405 -0.428 -8.286 101 HH22 ARG 13 HH22 ARG 13 -8.016 -0.745 -9.273 102 H GLY 14 H GLY 14 -5.767 4.260 -4.956 103 HA2 GLY 14 HA2 GLY 14 -5.795 6.861 -5.193 104 HA3 GLY 14 HA1 GLY 14 -6.170 6.751 -3.475 105 H GLU 15 H GLU 15 -4.567 4.272 -3.260 106 HA GLU 15 HA GLU 15 -2.050 5.530 -2.655 107 HB2 GLU 15 HB2 GLU 15 -2.807 2.612 -2.529 108 HB3 GLU 15 HB1 GLU 15 -1.410 3.353 -1.777 109 HG2 GLU 15 HG2 GLU 15 -2.906 4.658 -0.339 110 HG3 GLU 15 HG1 GLU 15 -4.291 3.848 -1.077 111 H ARG 16 H ARG 16 -0.118 5.282 -3.716 112 HA ARG 16 HA ARG 16 -0.266 4.289 -6.432 113 HB2 ARG 16 HB2 ARG 16 0.942 6.392 -5.904 114 HB3 ARG 16 HB1 ARG 16 2.075 5.478 -4.921 115 HG2 ARG 16 HG2 ARG 16 3.048 5.973 -7.073 116 HG3 ARG 16 HG1 ARG 16 2.786 4.235 -6.918 117 HD2 ARG 16 HD2 ARG 16 0.815 4.355 -8.291 118 HD3 ARG 16 HD1 ARG 16 0.894 6.114 -8.327 119 HE ARG 16 HE ARG 16 2.378 5.961 -10.042 120 HH11 ARG 16 HH11 ARG 16 2.349 2.863 -8.397 121 HH12 ARG 16 HH12 ARG 16 3.447 2.120 -9.507 122 HH21 ARG 16 HH21 ARG 16 3.828 4.973 -11.511 123 HH22 ARG 16 HH22 ARG 16 4.290 3.320 -11.279 124 H VAL 17 H VAL 17 -0.381 2.105 -6.404 125 HA VAL 17 HA VAL 17 0.951 0.383 -4.644 126 HB VAL 17 HB VAL 17 0.109 -0.255 -7.478 127 HG11 VAL 17 HG11 VAL 17 0.121 -2.161 -5.170 128 HG12 VAL 17 HG21 VAL 17 1.585 -1.867 -6.108 129 HG13 VAL 17 3HG1 VAL 17 0.142 -2.503 -6.900 130 HG21 VAL 17 HG12 VAL 17 -1.711 -1.051 -5.349 131 HG22 VAL 17 HG22 VAL 17 -2.045 -0.251 -6.885 132 HG23 VAL 17 HG23 VAL 17 -1.536 0.698 -5.488 133 H ARG 18 H ARG 18 3.005 -0.293 -4.540 134 HA ARG 18 HA ARG 18 4.826 0.529 -6.680 135 HB2 ARG 18 HB2 ARG 18 5.344 1.092 -4.279 136 HB3 ARG 18 HB1 ARG 18 5.545 -0.630 -3.981 137 HG2 ARG 18 HG2 ARG 18 7.314 -0.655 -5.737 138 HG3 ARG 18 HG1 ARG 18 7.181 1.100 -5.820 139 HD2 ARG 18 HD2 ARG 18 7.940 -0.516 -3.390 140 HD3 ARG 18 HD1 ARG 18 9.041 0.420 -4.399 141 HE ARG 18 HE ARG 18 6.967 2.069 -3.392 142 HH11 ARG 18 HH11 ARG 18 9.933 0.473 -2.453 143 HH12 ARG 18 HH12 ARG 18 10.261 1.561 -1.146 144 HH21 ARG 18 HH21 ARG 18 7.389 3.512 -1.657 145 HH22 ARG 18 HH22 ARG 18 8.811 3.288 -0.692 146 H GLY 19 H GLY 19 3.724 -2.294 -4.904 147 HA2 GLY 19 HA2 GLY 19 3.850 -4.094 -6.976 148 HA3 GLY 19 HA1 GLY 19 5.439 -4.154 -6.224 149 H THR 20 H THR 20 5.051 -6.326 -5.581 150 HA THR 20 HA THR 20 2.891 -6.816 -3.706 151 HB THR 20 HB THR 20 3.957 -9.145 -3.652 152 HG1 THR 20 HG1 THR 20 5.990 -8.539 -4.525 153 HG21 THR 20 HG12 THR 20 2.721 -7.904 -6.095 154 HG22 THR 20 HG22 THR 20 1.969 -8.937 -4.880 155 HG23 THR 20 HG23 THR 20 3.110 -9.624 -6.035 156 H CYS 21 H CYS 21 3.124 -7.185 -1.554 157 HA CYS 21 HA CYS 21 5.677 -6.377 -0.383 158 HB2 CYS 21 HB2 CYS 21 3.711 -5.226 0.454 159 HB3 CYS 21 HB1 CYS 21 2.935 -6.757 0.837 160 H GLY 22 H GLY 22 3.355 -9.036 -0.333 161 HA2 GLY 22 HA2 GLY 22 5.233 -11.065 -0.124 162 HA3 GLY 22 HA1 GLY 22 4.753 -10.655 1.519 163 H ILE 23 H ILE 23 3.783 -12.707 1.798 164 HA ILE 23 HA ILE 23 1.858 -13.814 0.099 165 HB ILE 23 HB ILE 23 1.044 -15.035 2.162 166 HG12 ILE 23 HG21 ILE 23 3.381 -13.603 3.454 167 HG13 ILE 23 HG11 ILE 23 1.686 -13.282 3.802 168 HG21 ILE 23 HG12 ILE 23 3.733 -15.112 0.964 169 HG22 ILE 23 HG22 ILE 23 2.502 -16.369 1.080 170 HG23 ILE 23 HG23 ILE 23 3.534 -16.016 2.466 171 HD11 ILE 23 HD11 ILE 23 2.048 -16.041 4.150 172 HD12 ILE 23 HD12 ILE 23 1.781 -14.814 5.390 173 HD13 ILE 23 HD13 ILE 23 3.425 -15.252 4.920 174 H ARG 24 H ARG 24 0.026 -13.011 -0.498 175 HA ARG 24 HA ARG 24 -1.830 -11.755 -0.680 176 HB2 ARG 24 HB2 ARG 24 -3.520 -12.053 0.982 177 HB3 ARG 24 HB1 ARG 24 -2.616 -13.550 0.849 178 HG2 ARG 24 HG2 ARG 24 -1.401 -12.996 2.899 179 HG3 ARG 24 HG1 ARG 24 -2.315 -11.491 3.028 180 HD2 ARG 24 HD2 ARG 24 -3.486 -14.271 3.056 181 HD3 ARG 24 HD1 ARG 24 -3.227 -13.254 4.473 182 HE ARG 24 HE ARG 24 -4.787 -11.823 2.647 183 HH11 ARG 24 HH11 ARG 24 -5.024 -14.659 4.675 184 HH12 ARG 24 HH12 ARG 24 -6.738 -14.533 4.887 185 HH21 ARG 24 HH21 ARG 24 -7.059 -11.641 2.919 186 HH22 ARG 24 HH22 ARG 24 -7.902 -12.809 3.883 187 H PHE 25 H PHE 25 0.574 -10.313 0.103 188 HA PHE 25 HA PHE 25 -0.722 -7.986 1.374 189 HB2 PHE 25 HB2 PHE 25 2.052 -9.066 1.751 190 HB3 PHE 25 HB1 PHE 25 1.737 -7.345 1.932 191 HD1 PHE 25 HD2 PHE 25 -0.653 -9.969 2.951 192 HD2 PHE 25 HD1 PHE 25 2.316 -7.198 4.213 193 HE1 PHE 25 HE2 PHE 25 -1.316 -10.332 5.290 194 HE2 PHE 25 HE1 PHE 25 1.659 -7.556 6.556 195 HZ PHE 25 HZ PHE 25 -0.160 -9.125 7.098 196 H LEU 26 H LEU 26 -0.518 -6.076 0.387 197 HA LEU 26 HA LEU 26 1.027 -6.004 -2.128 198 HB2 LEU 26 HB2 LEU 26 -1.509 -5.984 -2.298 199 HB3 LEU 26 HB1 LEU 26 -1.467 -4.418 -1.516 200 HG LEU 26 HG LEU 26 -0.094 -3.557 -3.404 201 HD11 LEU 26 HD11 LEU 26 -0.854 -5.873 -5.079 202 HD12 LEU 26 HD12 LEU 26 0.497 -6.102 -3.969 203 HD13 LEU 26 HD13 LEU 26 0.554 -4.815 -5.173 204 HD21 LEU 26 HD21 LEU 26 -2.497 -4.679 -4.707 205 HD22 LEU 26 HD22 LEU 26 -1.943 -3.009 -4.589 206 HD23 LEU 26 HD23 LEU 26 -2.756 -3.767 -3.221 207 H TYR 27 H TYR 27 2.493 -4.369 -2.333 208 HA TYR 27 HA TYR 27 2.743 -2.543 -0.061 209 HB2 TYR 27 HB2 TYR 27 4.682 -3.926 -1.016 210 HB3 TYR 27 HB1 TYR 27 4.655 -2.808 -2.375 211 HD1 TYR 27 HD2 TYR 27 4.091 -1.950 1.191 212 HD2 TYR 27 HD1 TYR 27 6.744 -1.766 -2.129 213 HE1 TYR 27 HE2 TYR 27 5.538 -0.402 2.440 214 HE2 TYR 27 HE1 TYR 27 8.196 -0.222 -0.889 215 HH TYR 27 HH TYR 27 7.637 0.529 2.485 216 H CYS 28 H CYS 28 1.942 -0.541 -0.186 217 HA CYS 28 HA CYS 28 1.847 0.759 -2.821 218 HB2 CYS 28 HB2 CYS 28 -0.433 0.752 -0.837 219 HB3 CYS 28 HB1 CYS 28 -0.416 1.542 -2.410 220 H CYS 29 H CYS 29 1.742 3.036 -2.781 221 HA CYS 29 HA CYS 29 2.544 4.263 -0.225 222 HB2 CYS 29 HB2 CYS 29 3.549 4.935 -3.003 223 HB3 CYS 29 HB1 CYS 29 3.977 5.798 -1.530 224 HA PRO 30 HA PRO 30 -1.323 6.292 -1.602 225 HB2 PRO 30 HB2 PRO 30 -1.949 7.227 0.892 226 HB3 PRO 30 HB1 PRO 30 -2.406 5.634 0.273 227 HG2 PRO 30 HG2 PRO 30 -0.140 6.391 2.075 228 HG3 PRO 30 HG1 PRO 30 -1.218 4.985 2.160 229 HD2 PRO 30 HD2 PRO 30 1.287 4.821 1.169 230 HD3 PRO 30 HD1 PRO 30 -0.046 3.831 0.540 231 H ARG 31 H ARG 31 -1.600 8.309 -2.233 232 HA ARG 31 HA ARG 31 0.514 10.193 -1.955 233 HB2 ARG 31 HB2 ARG 31 -0.612 10.199 -4.025 234 HB3 ARG 31 HB1 ARG 31 -2.193 10.238 -3.267 235 HG2 ARG 31 HG2 ARG 31 -1.526 12.345 -4.403 236 HG3 ARG 31 HG1 ARG 31 -1.959 12.536 -2.707 237 HD2 ARG 31 HD2 ARG 31 0.869 12.037 -3.001 238 HD3 ARG 31 HD1 ARG 31 0.367 13.425 -3.969 239 HE ARG 31 HE ARG 31 -0.803 13.611 -1.408 240 HH11 ARG 31 HH11 ARG 31 2.345 13.898 -2.938 241 HH12 ARG 31 HH12 ARG 31 2.962 14.975 -1.732 242 HH21 ARG 31 HH21 ARG 31 -0.017 14.988 0.153 243 HH22 ARG 31 HH22 ARG 31 1.604 15.604 0.051 244 H ARG 32 H ARG 32 -2.934 10.610 -1.178 245 HA ARG 32 HA ARG 32 -4.007 12.004 0.248 246 HB2 ARG 32 HB2 ARG 32 -3.618 11.574 2.582 247 HB3 ARG 32 HB1 ARG 32 -3.442 10.073 1.690 248 HG2 ARG 32 HG2 ARG 32 -1.075 10.126 1.911 249 HG3 ARG 32 HG1 ARG 32 -1.114 11.770 2.550 250 HD2 ARG 32 HD2 ARG 32 -2.147 9.267 3.871 251 HD3 ARG 32 HD1 ARG 32 -0.770 10.245 4.370 252 HE ARG 32 HE ARG 32 -3.425 10.625 5.152 253 HH11 ARG 32 HH11 ARG 32 -0.749 12.567 3.991 254 HH12 ARG 32 HH12 ARG 32 -1.273 14.000 4.802 255 HH21 ARG 32 HH21 ARG 32 -4.100 12.517 6.242 256 HH22 ARG 32 HH22 ARG 32 -3.172 13.970 6.094 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 3.021 14.296 3.322 2 H2 GLY 1 HT2 GLY 1 3.619 12.802 3.836 3 H3 GLY 1 HT3 GLY 1 2.617 12.887 2.473 4 HA2 GLY 1 HA1 GLY 1 4.272 14.037 1.226 5 HA3 GLY 1 HA2 GLY 1 5.288 14.171 2.656 6 H LEU 2 H LEU 2 3.444 11.518 1.194 7 HA LEU 2 HA LEU 2 4.035 9.494 0.373 8 HB2 LEU 2 HB2 LEU 2 5.911 10.620 -0.777 9 HB3 LEU 2 HB1 LEU 2 6.903 10.398 0.652 10 HG LEU 2 HG LEU 2 6.698 7.940 0.375 11 HD11 LEU 2 HD11 LEU 2 5.492 8.548 -2.312 12 HD12 LEU 2 HD12 LEU 2 4.534 8.087 -0.905 13 HD13 LEU 2 HD13 LEU 2 5.735 6.973 -1.558 14 HD21 LEU 2 HD21 LEU 2 8.493 9.492 -0.693 15 HD22 LEU 2 HD22 LEU 2 7.712 9.043 -2.209 16 HD23 LEU 2 HD23 LEU 2 8.403 7.797 -1.170 17 H LEU 3 H LEU 3 3.909 7.664 1.436 18 HA LEU 3 HA LEU 3 5.611 6.962 3.627 19 HB2 LEU 3 HB2 LEU 3 3.669 8.559 4.470 20 HB3 LEU 3 HB1 LEU 3 2.711 7.098 4.366 21 HG LEU 3 HG LEU 3 3.552 7.534 6.644 22 HD11 LEU 3 HD11 LEU 3 5.094 5.154 6.230 23 HD12 LEU 3 HD12 LEU 3 3.632 5.110 5.243 24 HD13 LEU 3 HD13 LEU 3 3.513 5.348 6.988 25 HD21 LEU 3 HD21 LEU 3 6.242 6.710 6.395 26 HD22 LEU 3 HD22 LEU 3 5.617 8.256 6.969 27 HD23 LEU 3 HD23 LEU 3 5.984 8.034 5.258 28 H CYS 4 H CYS 4 5.895 5.337 1.967 29 HA CYS 4 HA CYS 4 3.859 3.681 1.008 30 HB2 CYS 4 HB2 CYS 4 6.730 2.868 1.464 31 HB3 CYS 4 HB1 CYS 4 5.596 2.182 0.305 32 H TYR 5 H TYR 5 2.947 1.817 1.711 33 HA TYR 5 HA TYR 5 3.946 0.504 4.090 34 HB2 TYR 5 HB2 TYR 5 1.757 0.601 5.258 35 HB3 TYR 5 HB1 TYR 5 2.538 2.167 5.123 36 HD1 TYR 5 HD2 TYR 5 0.026 0.089 3.254 37 HD2 TYR 5 HD1 TYR 5 1.222 3.958 4.559 38 HE1 TYR 5 HE2 TYR 5 -2.049 1.035 2.334 39 HE2 TYR 5 HE1 TYR 5 -0.853 4.911 3.652 40 HH TYR 5 HH TYR 5 -2.971 3.135 1.600 41 H CYS 6 H CYS 6 2.906 -1.551 4.484 42 HA CYS 6 HA CYS 6 2.207 -2.817 1.983 43 HB2 CYS 6 HB2 CYS 6 2.618 -3.975 4.744 44 HB3 CYS 6 HB1 CYS 6 2.380 -4.914 3.275 45 H GLY 7 H GLY 7 0.195 -2.927 1.315 46 HA2 GLY 7 HA2 GLY 7 -2.022 -2.661 3.170 47 HA3 GLY 7 HA1 GLY 7 -2.124 -2.734 1.414 48 H LYS 8 H LYS 8 -3.344 -4.245 3.817 49 HA LYS 8 HA LYS 8 -2.573 -6.972 3.236 50 HB2 LYS 8 HB2 LYS 8 -4.404 -7.475 4.951 51 HB3 LYS 8 HB1 LYS 8 -2.982 -6.616 5.526 52 HG2 LYS 8 HG2 LYS 8 -4.190 -4.513 5.452 53 HG3 LYS 8 HG1 LYS 8 -5.610 -5.333 4.801 54 HD2 LYS 8 HD2 LYS 8 -4.359 -5.941 7.479 55 HD3 LYS 8 HD1 LYS 8 -5.746 -4.877 7.242 56 HE2 LYS 8 HE2 LYS 8 -5.619 -7.801 6.511 57 HE3 LYS 8 HE1 LYS 8 -6.436 -7.127 7.920 58 HZ1 LYS 8 HZ1 LYS 8 -7.110 -6.459 5.106 59 HZ2 LYS 8 HZ2 LYS 8 -7.945 -5.957 6.490 60 HZ3 LYS 8 HZ3 LYS 8 -7.945 -7.590 6.049 61 H GLY 9 H GLY 9 -3.376 -7.976 1.545 62 HA2 GLY 9 HA2 GLY 9 -5.014 -8.920 0.196 63 HA3 GLY 9 HA1 GLY 9 -6.227 -7.968 1.039 64 H HIS 10 H HIS 10 -5.339 -5.417 0.682 65 HA HIS 10 HA HIS 10 -4.460 -4.672 -1.843 66 HB2 HIS 10 HB2 HIS 10 -6.637 -3.882 -2.861 67 HB3 HIS 10 HB1 HIS 10 -6.379 -5.619 -2.891 68 HD1 HIS 10 HD1 HIS 10 -8.018 -3.269 -0.360 69 HD2 HIS 10 HD2 HIS 10 -8.708 -6.841 -2.371 70 HE1 HIS 10 HE1 HIS 10 -10.290 -4.047 0.401 71 HE2 HIS 10 HE2 HIS 10 -10.731 -6.149 -0.916 72 H CYS 11 H CYS 11 -4.110 -2.521 -1.906 73 HA CYS 11 HA CYS 11 -4.656 -1.029 0.492 74 HB2 CYS 11 HB2 CYS 11 -3.300 -0.125 -2.058 75 HB3 CYS 11 HB1 CYS 11 -3.201 0.651 -0.479 76 H LYS 12 H LYS 12 -4.789 1.579 -0.818 77 HA LYS 12 HA LYS 12 -7.630 1.523 -1.586 78 HB2 LYS 12 HB2 LYS 12 -6.001 3.865 -0.582 79 HB3 LYS 12 HB1 LYS 12 -7.735 3.839 -0.857 80 HG2 LYS 12 HG2 LYS 12 -6.563 1.906 1.080 81 HG3 LYS 12 HG1 LYS 12 -6.728 3.597 1.551 82 HD2 LYS 12 HD2 LYS 12 -8.690 2.478 2.287 83 HD3 LYS 12 HD1 LYS 12 -9.146 3.442 0.883 84 HE2 LYS 12 HE2 LYS 12 -9.023 1.450 -0.527 85 HE3 LYS 12 HE1 LYS 12 -8.545 0.486 0.871 86 HZ1 LYS 12 HZ1 LYS 12 -10.640 0.741 1.846 87 HZ2 LYS 12 HZ2 LYS 12 -10.975 0.432 0.217 88 HZ3 LYS 12 HZ3 LYS 12 -11.080 2.009 0.816 89 H ARG 13 H ARG 13 -8.344 2.860 -3.292 90 HA ARG 13 HA ARG 13 -6.665 2.885 -5.578 91 HB2 ARG 13 HB2 ARG 13 -9.145 2.583 -5.636 92 HB3 ARG 13 HB1 ARG 13 -9.326 4.276 -5.202 93 HG2 ARG 13 HG2 ARG 13 -8.134 4.899 -7.274 94 HG3 ARG 13 HG1 ARG 13 -8.069 3.192 -7.715 95 HD2 ARG 13 HD2 ARG 13 -10.609 4.733 -7.202 96 HD3 ARG 13 HD1 ARG 13 -9.923 4.447 -8.800 97 HE ARG 13 HE ARG 13 -10.217 1.978 -7.518 98 HH11 ARG 13 HH11 ARG 13 -12.210 4.552 -8.788 99 HH12 ARG 13 HH12 ARG 13 -13.540 3.513 -9.183 100 HH21 ARG 13 HH21 ARG 13 -11.971 0.585 -8.041 101 HH22 ARG 13 HH22 ARG 13 -13.401 1.249 -8.756 102 H GLY 14 H GLY 14 -5.057 4.145 -4.232 103 HA2 GLY 14 HA2 GLY 14 -4.917 6.819 -5.268 104 HA3 GLY 14 HA1 GLY 14 -5.121 6.758 -3.518 105 H GLU 15 H GLU 15 -3.681 4.296 -3.131 106 HA GLU 15 HA GLU 15 -1.012 5.409 -3.149 107 HB2 GLU 15 HB2 GLU 15 -1.918 2.673 -2.246 108 HB3 GLU 15 HB1 GLU 15 -0.352 3.395 -1.931 109 HG2 GLU 15 HG2 GLU 15 -1.375 3.804 0.040 110 HG3 GLU 15 HG1 GLU 15 -1.832 5.266 -0.833 111 H ARG 16 H ARG 16 0.697 4.791 -4.388 112 HA ARG 16 HA ARG 16 0.048 3.285 -6.785 113 HB2 ARG 16 HB2 ARG 16 2.467 4.867 -5.928 114 HB3 ARG 16 HB1 ARG 16 2.484 3.861 -7.368 115 HG2 ARG 16 HG2 ARG 16 2.012 6.022 -8.127 116 HG3 ARG 16 HG1 ARG 16 0.462 5.183 -8.140 117 HD2 ARG 16 HD2 ARG 16 -0.043 6.203 -5.928 118 HD3 ARG 16 HD1 ARG 16 1.453 7.128 -6.058 119 HE ARG 16 HE ARG 16 0.415 8.547 -7.514 120 HH11 ARG 16 HH11 ARG 16 -1.551 5.671 -7.166 121 HH12 ARG 16 HH12 ARG 16 -2.825 6.258 -8.179 122 HH21 ARG 16 HH21 ARG 16 -1.273 9.332 -8.854 123 HH22 ARG 16 HH22 ARG 16 -2.667 8.346 -9.140 124 H VAL 17 H VAL 17 0.546 1.210 -7.103 125 HA VAL 17 HA VAL 17 1.619 -0.340 -4.989 126 HB VAL 17 HB VAL 17 -0.028 -1.307 -6.481 127 HG11 VAL 17 HG11 VAL 17 0.226 -1.653 -8.766 128 HG12 VAL 17 HG21 VAL 17 1.973 -1.421 -8.707 129 HG13 VAL 17 3HG1 VAL 17 0.894 -0.039 -8.518 130 HG21 VAL 17 HG12 VAL 17 0.948 -3.174 -5.745 131 HG22 VAL 17 HG22 VAL 17 2.571 -2.531 -5.999 132 HG23 VAL 17 HG23 VAL 17 1.694 -3.265 -7.341 133 H ARG 18 H ARG 18 3.625 -0.866 -4.534 134 HA ARG 18 HA ARG 18 5.736 -0.097 -6.423 135 HB2 ARG 18 HB2 ARG 18 5.743 0.906 -4.133 136 HB3 ARG 18 HB1 ARG 18 5.961 -0.706 -3.469 137 HG2 ARG 18 HG2 ARG 18 8.069 0.477 -3.553 138 HG3 ARG 18 HG1 ARG 18 8.092 -0.903 -4.653 139 HD2 ARG 18 HD2 ARG 18 7.653 0.571 -6.540 140 HD3 ARG 18 HD1 ARG 18 7.557 1.957 -5.455 141 HE ARG 18 HE ARG 18 9.915 0.768 -6.512 142 HH11 ARG 18 HH11 ARG 18 8.655 2.451 -3.710 143 HH12 ARG 18 HH12 ARG 18 10.207 3.010 -3.183 144 HH21 ARG 18 HH21 ARG 18 11.971 1.511 -5.825 145 HH22 ARG 18 HH22 ARG 18 12.099 2.476 -4.392 146 H GLY 19 H GLY 19 4.446 -2.746 -4.547 147 HA2 GLY 19 HA2 GLY 19 5.256 -4.779 -6.214 148 HA3 GLY 19 HA1 GLY 19 6.564 -4.585 -5.053 149 H THR 20 H THR 20 6.148 -6.663 -4.183 150 HA THR 20 HA THR 20 3.678 -6.805 -2.586 151 HB THR 20 HB THR 20 4.149 -9.317 -2.586 152 HG1 THR 20 HG1 THR 20 6.268 -9.224 -3.440 153 HG21 THR 20 HG12 THR 20 3.329 -9.430 -5.104 154 HG22 THR 20 HG22 THR 20 3.149 -7.691 -4.872 155 HG23 THR 20 HG23 THR 20 2.285 -8.814 -3.823 156 H CYS 21 H CYS 21 3.832 -7.262 -0.442 157 HA CYS 21 HA CYS 21 6.506 -7.083 0.717 158 HB2 CYS 21 HB2 CYS 21 3.781 -6.955 2.024 159 HB3 CYS 21 HB1 CYS 21 5.316 -6.736 2.859 160 H GLY 22 H GLY 22 3.721 -9.233 0.607 161 HA2 GLY 22 HA2 GLY 22 5.230 -11.562 0.914 162 HA3 GLY 22 HA1 GLY 22 4.621 -11.108 2.501 163 H ILE 23 H ILE 23 3.360 -13.009 2.561 164 HA ILE 23 HA ILE 23 1.514 -13.766 0.612 165 HB ILE 23 HB ILE 23 0.324 -14.958 2.494 166 HG12 ILE 23 HG21 ILE 23 2.672 -13.925 4.106 167 HG13 ILE 23 HG11 ILE 23 1.003 -13.402 4.304 168 HG21 ILE 23 HG12 ILE 23 1.873 -16.175 1.200 169 HG22 ILE 23 HG22 ILE 23 2.286 -16.512 2.882 170 HG23 ILE 23 HG23 ILE 23 3.251 -15.367 1.948 171 HD11 ILE 23 HD11 ILE 23 0.347 -15.515 5.131 172 HD12 ILE 23 HD12 ILE 23 1.841 -15.088 5.965 173 HD13 ILE 23 HD13 ILE 23 1.871 -16.256 4.645 174 H ARG 24 H ARG 24 -0.067 -12.660 -0.151 175 HA ARG 24 HA ARG 24 -1.889 -11.353 -0.404 176 HB2 ARG 24 HB2 ARG 24 -2.364 -11.896 2.529 177 HB3 ARG 24 HB1 ARG 24 -3.555 -11.317 1.372 178 HG2 ARG 24 HG2 ARG 24 -3.339 -13.420 0.122 179 HG3 ARG 24 HG1 ARG 24 -2.185 -13.999 1.324 180 HD2 ARG 24 HD2 ARG 24 -4.309 -14.930 1.865 181 HD3 ARG 24 HD1 ARG 24 -3.959 -13.679 3.057 182 HE ARG 24 HE ARG 24 -5.438 -12.534 0.972 183 HH11 ARG 24 HH11 ARG 24 -5.833 -14.817 3.587 184 HH12 ARG 24 HH12 ARG 24 -7.537 -14.547 3.747 185 HH21 ARG 24 HH21 ARG 24 -7.694 -12.166 1.170 186 HH22 ARG 24 HH22 ARG 24 -8.600 -13.034 2.366 187 H PHE 25 H PHE 25 0.683 -10.106 0.456 188 HA PHE 25 HA PHE 25 -0.508 -7.582 1.396 189 HB2 PHE 25 HB2 PHE 25 1.986 -8.897 2.409 190 HB3 PHE 25 HB1 PHE 25 1.852 -7.142 2.389 191 HD1 PHE 25 HD1 PHE 25 -0.269 -10.048 3.431 192 HD2 PHE 25 HD2 PHE 25 1.229 -6.173 4.345 193 HE1 PHE 25 HE1 PHE 25 -1.466 -10.097 5.580 194 HE2 PHE 25 HE2 PHE 25 0.036 -6.215 6.495 195 HZ PHE 25 HZ PHE 25 -1.313 -8.178 7.115 196 H LEU 26 H LEU 26 0.052 -5.809 0.336 197 HA LEU 26 HA LEU 26 2.161 -6.033 -1.713 198 HB2 LEU 26 HB2 LEU 26 -0.597 -4.866 -1.969 199 HB3 LEU 26 HB1 LEU 26 0.703 -4.368 -3.031 200 HG LEU 26 HG LEU 26 0.949 -6.878 -3.575 201 HD11 LEU 26 HD11 LEU 26 -1.933 -6.997 -2.770 202 HD12 LEU 26 HD12 LEU 26 -0.653 -7.465 -1.650 203 HD13 LEU 26 HD13 LEU 26 -0.836 -8.314 -3.185 204 HD21 LEU 26 HD21 LEU 26 -1.630 -5.766 -4.570 205 HD22 LEU 26 HD22 LEU 26 -0.334 -6.575 -5.452 206 HD23 LEU 26 HD23 LEU 26 -0.128 -4.908 -4.915 207 H TYR 27 H TYR 27 3.453 -4.274 -2.026 208 HA TYR 27 HA TYR 27 3.477 -2.326 0.123 209 HB2 TYR 27 HB2 TYR 27 5.512 -3.540 -0.976 210 HB3 TYR 27 HB1 TYR 27 5.347 -2.322 -2.234 211 HD1 TYR 27 HD1 TYR 27 4.886 -1.922 1.437 212 HD2 TYR 27 HD2 TYR 27 7.264 -1.017 -1.971 213 HE1 TYR 27 HE1 TYR 27 6.231 -0.377 2.795 214 HE2 TYR 27 HE2 TYR 27 8.616 0.533 -0.623 215 HH TYR 27 HH TYR 27 8.140 0.838 2.857 216 H CYS 28 H CYS 28 2.450 -0.408 -0.031 217 HA CYS 28 HA CYS 28 1.999 0.684 -2.734 218 HB2 CYS 28 HB2 CYS 28 0.081 0.763 -0.397 219 HB3 CYS 28 HB1 CYS 28 -0.183 1.515 -1.965 220 H CYS 29 H CYS 29 2.443 2.777 -3.041 221 HA CYS 29 HA CYS 29 3.297 4.354 -0.702 222 HB2 CYS 29 HB2 CYS 29 4.121 4.588 -3.607 223 HB3 CYS 29 HB1 CYS 29 4.658 5.661 -2.318 224 HA PRO 30 HA PRO 30 -0.461 6.546 -1.918 225 HB2 PRO 30 HB2 PRO 30 -0.886 7.764 0.435 226 HB3 PRO 30 HB1 PRO 30 -1.243 6.049 0.168 227 HG2 PRO 30 HG2 PRO 30 1.135 7.305 1.492 228 HG3 PRO 30 HG1 PRO 30 0.183 5.898 2.004 229 HD2 PRO 30 HD2 PRO 30 2.568 5.701 0.691 230 HD3 PRO 30 HD1 PRO 30 1.288 4.478 0.579 231 H ARG 31 H ARG 31 -0.918 8.557 -2.552 232 HA ARG 31 HA ARG 31 1.266 10.469 -2.617 233 HB2 ARG 31 HB2 ARG 31 -0.677 11.697 -4.031 234 HB3 ARG 31 HB1 ARG 31 0.453 10.546 -4.723 235 HG2 ARG 31 HG2 ARG 31 -1.703 9.972 -5.506 236 HG3 ARG 31 HG1 ARG 31 -1.252 8.758 -4.312 237 HD2 ARG 31 HD2 ARG 31 -3.565 9.388 -4.011 238 HD3 ARG 31 HD1 ARG 31 -2.613 9.938 -2.633 239 HE ARG 31 HE ARG 31 -2.674 12.075 -4.342 240 HH11 ARG 31 HH11 ARG 31 -5.083 10.090 -2.765 241 HH12 ARG 31 HH12 ARG 31 -6.242 11.369 -2.628 242 HH21 ARG 31 HH21 ARG 31 -4.197 13.780 -4.160 243 HH22 ARG 31 HH22 ARG 31 -5.735 13.477 -3.425 244 H ARG 32 H ARG 32 0.691 10.459 -0.133 245 HA ARG 32 HA ARG 32 -0.916 12.879 0.319 246 HB2 ARG 32 HB2 ARG 32 -2.123 10.773 1.033 247 HB3 ARG 32 HB1 ARG 32 -0.837 10.512 2.201 248 HG2 ARG 32 HG2 ARG 32 -2.645 11.499 3.363 249 HG3 ARG 32 HG1 ARG 32 -1.407 12.743 3.194 250 HD2 ARG 32 HD2 ARG 32 -3.739 12.466 1.307 251 HD3 ARG 32 HD1 ARG 32 -3.785 13.475 2.750 252 HE ARG 32 HE ARG 32 -2.483 14.059 0.263 253 HH11 ARG 32 HH11 ARG 32 -2.458 14.706 3.700 254 HH12 ARG 32 HH12 ARG 32 -1.585 16.192 3.549 255 HH21 ARG 32 HH21 ARG 32 -1.329 16.023 0.054 256 HH22 ARG 32 HH22 ARG 32 -0.943 16.945 1.465
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