NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538889 | 2lew | 17731 | 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 1HT GLY 1 8.264 3.578 5.140 2 H2 GLY 1 2HT GLY 1 7.395 4.402 3.945 3 H3 GLY 1 3HT GLY 1 6.572 3.476 5.097 4 HA2 GLY 1 HA1 GLY 1 7.009 4.978 6.816 5 HA3 GLY 1 HA2 GLY 1 8.261 5.779 5.874 6 H LEU 2 H LEU 2 7.381 7.833 5.935 7 HA LEU 2 HA LEU 2 5.979 9.567 5.472 8 HB2 LEU 2 HB2 LEU 2 5.410 7.825 3.069 9 HB3 LEU 2 HB1 LEU 2 4.989 9.521 3.199 10 HG LEU 2 HG LEU 2 7.803 8.423 3.235 11 HD11 LEU 2 HD11 LEU 2 6.441 8.322 1.061 12 HD12 LEU 2 HD12 LEU 2 8.025 9.095 1.014 13 HD13 LEU 2 HD13 LEU 2 6.563 10.081 1.067 14 HD21 LEU 2 HD21 LEU 2 6.910 10.779 4.312 15 HD22 LEU 2 HD22 LEU 2 7.379 11.259 2.681 16 HD23 LEU 2 HD23 LEU 2 8.549 10.471 3.739 17 H LEU 3 H LEU 3 3.519 8.728 3.649 18 HA LEU 3 HA LEU 3 1.774 8.097 5.933 19 HB2 LEU 3 HB2 LEU 3 1.475 10.325 4.774 20 HB3 LEU 3 HB1 LEU 3 0.994 9.440 3.341 21 HG LEU 3 HG LEU 3 -0.917 8.488 4.596 22 HD11 LEU 3 HD11 LEU 3 -0.547 8.457 6.827 23 HD12 LEU 3 HD12 LEU 3 -1.373 10.013 6.742 24 HD13 LEU 3 HD13 LEU 3 0.389 9.952 6.805 25 HD21 LEU 3 HD21 LEU 3 -0.964 11.480 4.828 26 HD22 LEU 3 HD22 LEU 3 -2.278 10.383 4.402 27 HD23 LEU 3 HD23 LEU 3 -0.962 10.666 3.262 28 H CYS 4 H CYS 4 3.275 6.208 4.326 29 HA CYS 4 HA CYS 4 1.441 4.943 2.507 30 HB2 CYS 4 HB2 CYS 4 3.901 3.683 3.697 31 HB3 CYS 4 HB1 CYS 4 3.119 3.301 2.172 32 H TYR 5 H TYR 5 0.539 2.831 2.809 33 HA TYR 5 HA TYR 5 0.355 1.960 5.595 34 HB2 TYR 5 HB2 TYR 5 -2.150 1.535 5.123 35 HB3 TYR 5 HB1 TYR 5 -1.623 3.162 5.525 36 HD1 TYR 5 HD2 TYR 5 -2.250 1.010 2.521 37 HD2 TYR 5 HD1 TYR 5 -2.349 4.909 4.219 38 HE1 TYR 5 HE2 TYR 5 -3.322 1.867 0.481 39 HE2 TYR 5 HE1 TYR 5 -3.426 5.774 2.188 40 HH TYR 5 HH TYR 5 -4.905 3.931 -0.032 41 H CYS 6 H CYS 6 0.153 -0.095 5.989 42 HA CYS 6 HA CYS 6 0.592 -1.932 3.772 43 HB2 CYS 6 HB2 CYS 6 2.147 -2.034 5.647 44 HB3 CYS 6 HB1 CYS 6 0.815 -2.264 6.770 45 H ARG 7 H ARG 7 -1.089 -3.118 3.018 46 HA ARG 7 HA ARG 7 -3.311 -3.706 4.865 47 HB2 ARG 7 HB2 ARG 7 -3.676 -2.893 1.975 48 HB3 ARG 7 HB1 ARG 7 -4.948 -3.277 3.121 49 HG2 ARG 7 HG2 ARG 7 -3.102 -0.899 3.211 50 HG3 ARG 7 HG1 ARG 7 -4.817 -0.895 2.805 51 HD2 ARG 7 HD2 ARG 7 -3.600 -1.592 5.473 52 HD3 ARG 7 HD1 ARG 7 -4.484 -0.123 5.079 53 HE ARG 7 HE ARG 7 -6.174 -2.254 4.534 54 HH11 ARG 7 HH11 ARG 7 -4.532 -0.909 7.309 55 HH12 ARG 7 HH12 ARG 7 -5.754 -1.389 8.439 56 HH21 ARG 7 HH21 ARG 7 -7.798 -2.911 6.028 57 HH22 ARG 7 HH22 ARG 7 -7.617 -2.534 7.706 58 H LYS 8 H LYS 8 -4.024 -5.748 4.804 59 HA LYS 8 HA LYS 8 -2.598 -7.702 3.324 60 HB2 LYS 8 HB2 LYS 8 -3.457 -8.120 5.597 61 HB3 LYS 8 HB1 LYS 8 -5.102 -7.983 4.998 62 HG2 LYS 8 HG2 LYS 8 -4.692 -9.931 3.532 63 HG3 LYS 8 HG1 LYS 8 -3.087 -10.091 4.247 64 HD2 LYS 8 HD2 LYS 8 -4.559 -11.636 5.342 65 HD3 LYS 8 HD1 LYS 8 -4.180 -10.337 6.475 66 HE2 LYS 8 HE2 LYS 8 -6.542 -10.882 6.577 67 HE3 LYS 8 HE1 LYS 8 -6.317 -9.258 5.933 68 HZ1 LYS 8 HZ1 LYS 8 -7.148 -9.840 3.944 69 HZ2 LYS 8 HZ2 LYS 8 -7.874 -11.104 4.802 70 HZ3 LYS 8 HZ3 LYS 8 -6.435 -11.374 3.957 71 H GLY 9 H GLY 9 -3.042 -8.554 1.455 72 HA2 GLY 9 HA2 GLY 9 -4.291 -9.388 -0.323 73 HA3 GLY 9 HA1 GLY 9 -5.739 -8.729 0.416 74 H HIS 10 H HIS 10 -5.331 -6.087 0.561 75 HA HIS 10 HA HIS 10 -4.134 -4.951 -1.753 76 HB2 HIS 10 HB2 HIS 10 -6.122 -6.080 -2.783 77 HB3 HIS 10 HB1 HIS 10 -7.159 -5.069 -1.785 78 HD1 HIS 10 HD1 HIS 10 -4.333 -4.479 -4.283 79 HD2 HIS 10 HD2 HIS 10 -7.998 -2.889 -3.133 80 HE1 HIS 10 HE1 HIS 10 -4.739 -2.535 -5.826 81 H CYS 11 H CYS 11 -3.919 -2.798 -1.536 82 HA CYS 11 HA CYS 11 -4.378 -1.582 0.938 83 HB2 CYS 11 HB2 CYS 11 -3.842 -0.256 -1.724 84 HB3 CYS 11 HB1 CYS 11 -3.615 0.472 -0.137 85 H LYS 12 H LYS 12 -5.841 -0.095 1.641 86 HA LYS 12 HA LYS 12 -8.384 -0.067 0.224 87 HB2 LYS 12 HB2 LYS 12 -7.629 0.805 3.020 88 HB3 LYS 12 HB1 LYS 12 -9.256 0.890 2.357 89 HG2 LYS 12 HG2 LYS 12 -7.667 -1.652 2.641 90 HG3 LYS 12 HG1 LYS 12 -8.864 -1.083 3.807 91 HD2 LYS 12 HD2 LYS 12 -10.589 -1.161 2.061 92 HD3 LYS 12 HD1 LYS 12 -9.387 -1.727 0.901 93 HE2 LYS 12 HE2 LYS 12 -9.036 -3.740 2.232 94 HE3 LYS 12 HE1 LYS 12 -10.203 -3.168 3.423 95 HZ1 LYS 12 HZ1 LYS 12 -11.679 -3.063 1.222 96 HZ2 LYS 12 HZ2 LYS 12 -11.589 -4.438 2.203 97 HZ3 LYS 12 HZ3 LYS 12 -10.651 -4.338 0.798 98 H ARG 13 H ARG 13 -9.366 1.735 -0.513 99 HA ARG 13 HA ARG 13 -9.442 3.702 -1.630 100 HB2 ARG 13 HB2 ARG 13 -9.437 5.677 -0.217 101 HB3 ARG 13 HB1 ARG 13 -10.253 4.348 0.588 102 HG2 ARG 13 HG2 ARG 13 -8.616 4.129 2.183 103 HG3 ARG 13 HG1 ARG 13 -7.372 4.849 1.160 104 HD2 ARG 13 HD2 ARG 13 -8.656 7.020 1.360 105 HD3 ARG 13 HD1 ARG 13 -9.608 6.235 2.619 106 HE ARG 13 HE ARG 13 -7.902 6.668 4.045 107 HH11 ARG 13 HH11 ARG 13 -6.536 6.465 0.815 108 HH12 ARG 13 HH12 ARG 13 -4.923 6.821 1.339 109 HH21 ARG 13 HH21 ARG 13 -5.769 7.147 4.731 110 HH22 ARG 13 HH22 ARG 13 -4.488 7.211 3.568 111 H GLY 14 H GLY 14 -7.182 2.570 -2.448 112 HA2 GLY 14 HA2 GLY 14 -5.634 4.777 -3.282 113 HA3 GLY 14 HA1 GLY 14 -4.784 3.920 -2.006 114 H GLY 15 H GLY 15 -4.748 4.274 -5.147 115 HA2 GLY 15 HA2 GLY 15 -4.165 1.430 -5.696 116 HA3 GLY 15 HA1 GLY 15 -4.784 2.547 -6.907 117 H ARG 16 H ARG 16 -2.263 3.039 -4.497 118 HA ARG 16 HA ARG 16 -0.310 3.363 -6.673 119 HB2 ARG 16 HB2 ARG 16 -0.736 5.100 -4.244 120 HB3 ARG 16 HB1 ARG 16 0.766 5.114 -5.154 121 HG2 ARG 16 HG2 ARG 16 -1.933 5.717 -6.344 122 HG3 ARG 16 HG1 ARG 16 -0.814 6.939 -5.739 123 HD2 ARG 16 HD2 ARG 16 -0.420 6.866 -8.047 124 HD3 ARG 16 HD1 ARG 16 0.893 5.929 -7.341 125 HE ARG 16 HE ARG 16 -1.296 4.258 -8.054 126 HH11 ARG 16 HH11 ARG 16 1.473 5.974 -9.367 127 HH12 ARG 16 HH12 ARG 16 1.570 4.966 -10.782 128 HH21 ARG 16 HH21 ARG 16 -1.159 2.935 -9.901 129 HH22 ARG 16 HH22 ARG 16 0.070 3.232 -11.085 130 H VAL 17 H VAL 17 -0.208 0.990 -5.903 131 HA VAL 17 HA VAL 17 0.974 0.344 -3.445 132 HB VAL 17 HB VAL 17 -0.095 -1.388 -4.708 133 HG11 VAL 17 HG11 VAL 17 0.146 -1.754 -6.893 134 HG12 VAL 17 HG21 VAL 17 1.905 -1.796 -6.772 135 HG13 VAL 17 3HG1 VAL 17 1.069 -0.251 -6.930 136 HG21 VAL 17 HG12 VAL 17 2.183 -2.864 -5.057 137 HG22 VAL 17 HG22 VAL 17 1.304 -2.667 -3.542 138 HG23 VAL 17 HG23 VAL 17 2.688 -1.634 -3.898 139 H ARG 18 H ARG 18 2.973 0.427 -2.715 140 HA ARG 18 HA ARG 18 5.032 1.473 -4.505 141 HB2 ARG 18 HB2 ARG 18 4.442 2.509 -2.214 142 HB3 ARG 18 HB1 ARG 18 5.305 1.140 -1.527 143 HG2 ARG 18 HG2 ARG 18 6.827 2.952 -1.627 144 HG3 ARG 18 HG1 ARG 18 7.290 1.818 -2.898 145 HD2 ARG 18 HD2 ARG 18 5.601 4.281 -3.330 146 HD3 ARG 18 HD1 ARG 18 7.339 4.208 -3.603 147 HE ARG 18 HE ARG 18 5.287 3.293 -5.348 148 HH11 ARG 18 HH11 ARG 18 8.577 2.620 -4.345 149 HH12 ARG 18 HH12 ARG 18 8.975 1.749 -5.787 150 HH21 ARG 18 HH21 ARG 18 5.807 2.145 -7.250 151 HH22 ARG 18 HH22 ARG 18 7.395 1.480 -7.447 152 H GLY 19 H GLY 19 4.093 -1.304 -2.692 153 HA2 GLY 19 HA2 GLY 19 5.684 -3.113 -4.023 154 HA3 GLY 19 HA1 GLY 19 6.641 -2.594 -2.642 155 H THR 20 H THR 20 6.273 -5.078 -2.411 156 HA THR 20 HA THR 20 3.724 -5.782 -1.263 157 HB THR 20 HB THR 20 4.974 -7.961 -0.747 158 HG1 THR 20 HG1 THR 20 7.095 -7.006 -0.994 159 HG21 THR 20 HG12 THR 20 3.443 -7.896 -2.573 160 HG22 THR 20 HG22 THR 20 4.924 -8.637 -3.180 161 HG23 THR 20 HG23 THR 20 4.560 -6.953 -3.560 162 H CYS 21 H CYS 21 3.235 -5.980 0.831 163 HA CYS 21 HA CYS 21 5.185 -5.006 2.785 164 HB2 CYS 21 HB2 CYS 21 2.938 -3.955 2.693 165 HB3 CYS 21 HB1 CYS 21 2.218 -5.509 3.095 166 H GLY 22 H GLY 22 5.886 -7.421 1.895 167 HA2 GLY 22 HA2 GLY 22 6.685 -9.324 3.051 168 HA3 GLY 22 HA1 GLY 22 5.373 -9.138 4.208 169 H ILE 23 H ILE 23 4.359 -11.083 4.080 170 HA ILE 23 HA ILE 23 3.707 -12.106 1.422 171 HB ILE 23 HB ILE 23 3.053 -14.202 2.519 172 HG12 ILE 23 HG21 ILE 23 2.459 -13.105 4.748 173 HG13 ILE 23 HG11 ILE 23 3.310 -14.640 4.830 174 HG21 ILE 23 HG12 ILE 23 5.155 -14.605 1.912 175 HG22 ILE 23 HG22 ILE 23 5.544 -14.434 3.624 176 HG23 ILE 23 HG23 ILE 23 5.732 -13.059 2.535 177 HD11 ILE 23 HD11 ILE 23 4.961 -12.188 4.909 178 HD12 ILE 23 HD12 ILE 23 5.151 -13.719 5.765 179 HD13 ILE 23 HD13 ILE 23 3.962 -12.541 6.320 180 H ARG 24 H ARG 24 1.786 -11.941 0.580 181 HA ARG 24 HA ARG 24 -0.420 -11.564 0.247 182 HB2 ARG 24 HB2 ARG 24 -0.675 -12.509 3.105 183 HB3 ARG 24 HB1 ARG 24 -2.015 -12.304 1.987 184 HG2 ARG 24 HG2 ARG 24 0.288 -14.206 1.607 185 HG3 ARG 24 HG1 ARG 24 -1.314 -14.643 2.202 186 HD2 ARG 24 HD2 ARG 24 -2.294 -13.873 0.088 187 HD3 ARG 24 HD1 ARG 24 -0.683 -13.468 -0.504 188 HE ARG 24 HE ARG 24 -0.672 -16.150 0.277 189 HH11 ARG 24 HH11 ARG 24 -2.146 -14.124 -2.164 190 HH12 ARG 24 HH12 ARG 24 -2.267 -15.392 -3.337 191 HH21 ARG 24 HH21 ARG 24 -0.827 -17.839 -1.266 192 HH22 ARG 24 HH22 ARG 24 -1.514 -17.514 -2.823 193 H PHE 25 H PHE 25 1.334 -9.442 1.551 194 HA PHE 25 HA PHE 25 -0.886 -7.671 2.314 195 HB2 PHE 25 HB2 PHE 25 1.787 -7.985 3.662 196 HB3 PHE 25 HB1 PHE 25 0.917 -6.462 3.743 197 HD1 PHE 25 HD2 PHE 25 0.249 -10.103 4.295 198 HD2 PHE 25 HD1 PHE 25 -0.362 -6.099 5.590 199 HE1 PHE 25 HE2 PHE 25 -1.000 -10.929 6.245 200 HE2 PHE 25 HE1 PHE 25 -1.607 -6.916 7.545 201 HZ PHE 25 HZ PHE 25 -1.931 -9.334 7.874 202 H LEU 26 H LEU 26 -0.805 -5.616 1.473 203 HA LEU 26 HA LEU 26 1.388 -5.104 -0.429 204 HB2 LEU 26 HB2 LEU 26 -1.545 -4.504 -0.574 205 HB3 LEU 26 HB1 LEU 26 -0.404 -3.536 -1.481 206 HG LEU 26 HG LEU 26 0.391 -5.668 -2.572 207 HD11 LEU 26 HD11 LEU 26 -0.718 -7.079 -0.710 208 HD12 LEU 26 HD12 LEU 26 -0.758 -7.663 -2.374 209 HD13 LEU 26 HD13 LEU 26 -2.182 -6.893 -1.674 210 HD21 LEU 26 HD21 LEU 26 -1.089 -4.095 -3.693 211 HD22 LEU 26 HD22 LEU 26 -2.490 -4.883 -2.968 212 HD23 LEU 26 HD23 LEU 26 -1.488 -5.757 -4.126 213 H TYR 27 H TYR 27 2.427 -3.186 -0.369 214 HA TYR 27 HA TYR 27 1.640 -1.315 1.773 215 HB2 TYR 27 HB2 TYR 27 3.902 -2.566 1.877 216 HB3 TYR 27 HB1 TYR 27 4.391 -1.525 0.546 217 HD1 TYR 27 HD2 TYR 27 2.503 -0.903 3.715 218 HD2 TYR 27 HD1 TYR 27 5.869 0.078 1.306 219 HE1 TYR 27 HE2 TYR 27 3.155 0.822 5.340 220 HE2 TYR 27 HE1 TYR 27 6.533 1.805 2.927 221 HH TYR 27 HH TYR 27 4.507 2.559 5.740 222 H CYS 28 H CYS 28 0.691 0.463 0.955 223 HA CYS 28 HA CYS 28 1.606 1.400 -1.686 224 HB2 CYS 28 HB2 CYS 28 -1.138 1.668 -0.453 225 HB3 CYS 28 HB1 CYS 28 -0.649 2.334 -2.008 226 H CYS 29 H CYS 29 1.953 3.539 -2.043 227 HA CYS 29 HA CYS 29 1.891 5.300 0.321 228 HB2 CYS 29 HB2 CYS 29 3.916 5.221 -1.929 229 HB3 CYS 29 HB1 CYS 29 3.867 6.451 -0.671 230 HA PRO 30 HA PRO 30 -0.737 7.701 -2.387 231 HB2 PRO 30 HB2 PRO 30 -1.267 9.710 -0.678 232 HB3 PRO 30 HB1 PRO 30 -1.961 8.097 -0.470 233 HG2 PRO 30 HG2 PRO 30 0.380 9.346 0.914 234 HG3 PRO 30 HG1 PRO 30 -0.927 8.359 1.595 235 HD2 PRO 30 HD2 PRO 30 1.554 7.380 0.988 236 HD3 PRO 30 HD1 PRO 30 0.082 6.392 0.994 237 H ARG 31 H ARG 31 1.955 7.924 -3.011 238 HA ARG 31 HA ARG 31 2.543 10.795 -2.992 239 HB2 ARG 31 HB2 ARG 31 4.257 8.981 -2.349 240 HB3 ARG 31 HB1 ARG 31 4.325 8.605 -4.061 241 HG2 ARG 31 HG2 ARG 31 4.922 11.333 -2.931 242 HG3 ARG 31 HG1 ARG 31 6.147 10.097 -3.213 243 HD2 ARG 31 HD2 ARG 31 4.388 11.430 -5.268 244 HD3 ARG 31 HD1 ARG 31 6.130 11.616 -5.076 245 HE ARG 31 HE ARG 31 4.729 9.457 -6.381 246 HH11 ARG 31 HH11 ARG 31 7.753 10.448 -4.908 247 HH12 ARG 31 HH12 ARG 31 8.669 9.181 -5.649 248 HH21 ARG 31 HH21 ARG 31 5.893 7.787 -7.330 249 HH22 ARG 31 HH22 ARG 31 7.608 7.660 -7.047 250 H ARG 32 H ARG 32 3.085 8.232 -5.389 251 HA ARG 32 HA ARG 32 1.305 8.933 -7.357 252 HB2 ARG 32 HB2 ARG 32 2.451 11.142 -7.402 253 HB3 ARG 32 HB1 ARG 32 3.965 10.329 -7.769 254 HG2 ARG 32 HG2 ARG 32 3.006 9.511 -9.872 255 HG3 ARG 32 HG1 ARG 32 1.503 10.361 -9.505 256 HD2 ARG 32 HD2 ARG 32 2.709 12.488 -9.487 257 HD3 ARG 32 HD1 ARG 32 4.214 11.642 -9.841 258 HE ARG 32 HE ARG 32 3.622 11.613 -12.035 259 HH11 ARG 32 HH11 ARG 32 0.717 12.134 -10.151 260 HH12 ARG 32 HH12 ARG 32 -0.298 12.363 -11.535 261 HH21 ARG 32 HH21 ARG 32 2.289 11.924 -13.871 262 HH22 ARG 32 HH22 ARG 32 0.599 12.244 -13.659 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -4.412 10.991 5.515 2 H2 GLY 1 2HT GLY 1 -3.465 11.192 4.125 3 H3 GLY 1 3HT GLY 1 -3.147 12.111 5.509 4 HA2 GLY 1 HA1 GLY 1 -2.552 10.102 6.734 5 HA3 GLY 1 HA2 GLY 1 -2.836 9.172 5.270 6 H LEU 2 H LEU 2 -1.694 10.559 3.312 7 HA LEU 2 HA LEU 2 0.234 11.101 2.263 8 HB2 LEU 2 HB2 LEU 2 0.407 12.910 3.905 9 HB3 LEU 2 HB1 LEU 2 1.232 11.833 5.016 10 HG LEU 2 HG LEU 2 3.089 11.626 3.373 11 HD11 LEU 2 HD11 LEU 2 3.219 12.947 1.442 12 HD12 LEU 2 HD12 LEU 2 1.846 13.944 1.926 13 HD13 LEU 2 HD13 LEU 2 1.588 12.275 1.417 14 HD21 LEU 2 HD21 LEU 2 2.504 14.486 4.118 15 HD22 LEU 2 HD22 LEU 2 4.084 13.737 3.882 16 HD23 LEU 2 HD23 LEU 2 3.081 13.267 5.254 17 H LEU 3 H LEU 3 1.134 9.533 5.342 18 HA LEU 3 HA LEU 3 3.336 8.134 4.224 19 HB2 LEU 3 HB2 LEU 3 1.793 7.819 6.787 20 HB3 LEU 3 HB1 LEU 3 3.099 6.734 6.360 21 HG LEU 3 HG LEU 3 4.585 8.794 6.202 22 HD11 LEU 3 HD11 LEU 3 2.288 10.050 7.694 23 HD12 LEU 3 HD12 LEU 3 2.809 10.471 6.063 24 HD13 LEU 3 HD13 LEU 3 3.878 10.765 7.434 25 HD21 LEU 3 HD21 LEU 3 5.301 8.166 8.206 26 HD22 LEU 3 HD22 LEU 3 3.848 7.175 8.342 27 HD23 LEU 3 HD23 LEU 3 3.861 8.816 8.991 28 H CYS 4 H CYS 4 3.541 6.012 3.607 29 HA CYS 4 HA CYS 4 1.355 4.833 2.283 30 HB2 CYS 4 HB2 CYS 4 3.889 3.404 3.063 31 HB3 CYS 4 HB1 CYS 4 2.853 3.091 1.678 32 H TYR 5 H TYR 5 0.429 2.716 2.668 33 HA TYR 5 HA TYR 5 0.468 1.905 5.484 34 HB2 TYR 5 HB2 TYR 5 -2.034 1.497 5.271 35 HB3 TYR 5 HB1 TYR 5 -1.512 3.169 5.395 36 HD1 TYR 5 HD2 TYR 5 -2.171 0.652 2.692 37 HD2 TYR 5 HD1 TYR 5 -2.579 4.671 4.020 38 HE1 TYR 5 HE2 TYR 5 -3.448 1.185 0.664 39 HE2 TYR 5 HE1 TYR 5 -3.865 5.213 1.995 40 HH TYR 5 HH TYR 5 -4.521 4.481 -0.022 41 H CYS 6 H CYS 6 0.264 -0.171 5.955 42 HA CYS 6 HA CYS 6 0.734 -2.037 3.792 43 HB2 CYS 6 HB2 CYS 6 2.091 -2.084 5.883 44 HB3 CYS 6 HB1 CYS 6 0.638 -2.498 6.782 45 H ARG 7 H ARG 7 -0.833 -3.384 2.985 46 HA ARG 7 HA ARG 7 -3.283 -3.716 4.592 47 HB2 ARG 7 HB2 ARG 7 -3.254 -3.264 1.603 48 HB3 ARG 7 HB1 ARG 7 -4.672 -3.458 2.622 49 HG2 ARG 7 HG2 ARG 7 -2.743 -1.147 2.638 50 HG3 ARG 7 HG1 ARG 7 -4.397 -1.145 2.030 51 HD2 ARG 7 HD2 ARG 7 -3.543 -1.555 4.895 52 HD3 ARG 7 HD1 ARG 7 -4.271 -0.098 4.223 53 HE ARG 7 HE ARG 7 -6.079 -2.069 3.673 54 HH11 ARG 7 HH11 ARG 7 -4.506 -0.928 6.576 55 HH12 ARG 7 HH12 ARG 7 -5.855 -1.268 7.608 56 HH21 ARG 7 HH21 ARG 7 -7.877 -2.536 5.033 57 HH22 ARG 7 HH22 ARG 7 -7.778 -2.191 6.728 58 H LYS 8 H LYS 8 -4.148 -5.719 4.613 59 HA LYS 8 HA LYS 8 -2.624 -7.897 3.621 60 HB2 LYS 8 HB2 LYS 8 -3.849 -8.265 5.632 61 HB3 LYS 8 HB1 LYS 8 -5.353 -7.733 4.897 62 HG2 LYS 8 HG2 LYS 8 -5.495 -10.076 5.058 63 HG3 LYS 8 HG1 LYS 8 -5.165 -9.730 3.360 64 HD2 LYS 8 HD2 LYS 8 -2.654 -10.000 4.217 65 HD3 LYS 8 HD1 LYS 8 -3.457 -11.022 5.411 66 HE2 LYS 8 HE2 LYS 8 -2.878 -12.479 3.666 67 HE3 LYS 8 HE1 LYS 8 -4.595 -12.154 3.431 68 HZ1 LYS 8 HZ1 LYS 8 -3.654 -11.935 1.323 69 HZ2 LYS 8 HZ2 LYS 8 -2.297 -11.099 1.897 70 HZ3 LYS 8 HZ3 LYS 8 -3.807 -10.332 1.851 71 H GLY 9 H GLY 9 -5.488 -6.224 2.564 72 HA2 GLY 9 HA2 GLY 9 -6.084 -8.071 0.438 73 HA3 GLY 9 HA1 GLY 9 -6.847 -6.509 0.707 74 H HIS 10 H HIS 10 -5.864 -4.632 -0.107 75 HA HIS 10 HA HIS 10 -3.448 -4.457 -1.442 76 HB2 HIS 10 HB2 HIS 10 -4.213 -4.329 -3.830 77 HB3 HIS 10 HB1 HIS 10 -4.207 -5.949 -3.156 78 HD1 HIS 10 HD1 HIS 10 -6.682 -6.836 -2.408 79 HD2 HIS 10 HD2 HIS 10 -6.535 -3.620 -5.034 80 HE1 HIS 10 HE1 HIS 10 -8.967 -6.712 -3.444 81 H CYS 11 H CYS 11 -3.252 -2.497 -0.631 82 HA CYS 11 HA CYS 11 -3.512 -0.274 -0.271 83 HB2 CYS 11 HB2 CYS 11 -5.052 -0.217 -2.862 84 HB3 CYS 11 HB1 CYS 11 -4.088 1.067 -2.147 85 H LYS 12 H LYS 12 -5.656 1.424 -1.130 86 HA LYS 12 HA LYS 12 -8.071 0.375 0.093 87 HB2 LYS 12 HB2 LYS 12 -6.192 2.069 1.523 88 HB3 LYS 12 HB1 LYS 12 -7.768 2.836 1.387 89 HG2 LYS 12 HG2 LYS 12 -7.368 0.041 2.423 90 HG3 LYS 12 HG1 LYS 12 -7.411 1.473 3.453 91 HD2 LYS 12 HD2 LYS 12 -9.628 0.612 1.592 92 HD3 LYS 12 HD1 LYS 12 -9.591 0.301 3.329 93 HE2 LYS 12 HE2 LYS 12 -9.539 2.715 3.754 94 HE3 LYS 12 HE1 LYS 12 -9.579 3.021 2.018 95 HZ1 LYS 12 HZ1 LYS 12 -11.722 2.327 3.813 96 HZ2 LYS 12 HZ2 LYS 12 -11.720 1.423 2.384 97 HZ3 LYS 12 HZ3 LYS 12 -11.777 3.111 2.314 98 H ARG 13 H ARG 13 -7.520 1.128 -2.513 99 HA ARG 13 HA ARG 13 -8.497 2.212 -4.248 100 HB2 ARG 13 HB2 ARG 13 -10.165 3.417 -2.051 101 HB3 ARG 13 HB1 ARG 13 -10.336 3.924 -3.723 102 HG2 ARG 13 HG2 ARG 13 -10.712 1.117 -2.700 103 HG3 ARG 13 HG1 ARG 13 -12.004 2.255 -3.091 104 HD2 ARG 13 HD2 ARG 13 -11.071 2.359 -5.420 105 HD3 ARG 13 HD1 ARG 13 -9.989 1.042 -4.979 106 HE ARG 13 HE ARG 13 -12.713 0.826 -5.715 107 HH11 ARG 13 HH11 ARG 13 -10.334 -0.594 -3.573 108 HH12 ARG 13 HH12 ARG 13 -11.163 -2.109 -3.446 109 HH21 ARG 13 HH21 ARG 13 -13.805 -1.176 -5.560 110 HH22 ARG 13 HH22 ARG 13 -13.139 -2.443 -4.584 111 H GLY 14 H GLY 14 -8.104 4.566 -1.594 112 HA2 GLY 14 HA2 GLY 14 -7.034 6.529 -3.448 113 HA3 GLY 14 HA1 GLY 14 -7.295 6.750 -1.722 114 H GLY 15 H GLY 15 -5.430 4.336 -3.538 115 HA2 GLY 15 HA2 GLY 15 -2.908 5.433 -2.714 116 HA3 GLY 15 HA1 GLY 15 -3.367 4.005 -1.794 117 H ARG 16 H ARG 16 -1.220 4.581 -3.823 118 HA ARG 16 HA ARG 16 -1.897 2.537 -5.810 119 HB2 ARG 16 HB2 ARG 16 -1.085 4.743 -6.643 120 HB3 ARG 16 HB1 ARG 16 0.426 4.479 -5.785 121 HG2 ARG 16 HG2 ARG 16 0.646 3.968 -8.154 122 HG3 ARG 16 HG1 ARG 16 0.885 2.525 -7.165 123 HD2 ARG 16 HD2 ARG 16 -0.491 2.024 -9.111 124 HD3 ARG 16 HD1 ARG 16 -1.414 1.829 -7.622 125 HE ARG 16 HE ARG 16 -1.773 4.434 -8.657 126 HH11 ARG 16 HH11 ARG 16 -2.694 1.111 -9.238 127 HH12 ARG 16 HH12 ARG 16 -4.177 1.520 -10.034 128 HH21 ARG 16 HH21 ARG 16 -3.731 4.988 -9.717 129 HH22 ARG 16 HH22 ARG 16 -4.768 3.733 -10.310 130 H VAL 17 H VAL 17 -0.848 0.643 -5.830 131 HA VAL 17 HA VAL 17 0.443 -0.301 -3.562 132 HB VAL 17 HB VAL 17 -0.601 -1.872 -5.021 133 HG11 VAL 17 HG11 VAL 17 0.414 -2.414 -7.260 134 HG12 VAL 17 HG21 VAL 17 1.346 -0.925 -7.108 135 HG13 VAL 17 3HG1 VAL 17 -0.416 -0.861 -7.158 136 HG21 VAL 17 HG12 VAL 17 2.237 -2.134 -4.386 137 HG22 VAL 17 HG22 VAL 17 1.678 -3.227 -5.652 138 HG23 VAL 17 HG23 VAL 17 0.894 -3.234 -4.073 139 H ARG 18 H ARG 18 2.395 -0.185 -2.827 140 HA ARG 18 HA ARG 18 4.466 1.094 -4.438 141 HB2 ARG 18 HB2 ARG 18 3.888 1.938 -2.136 142 HB3 ARG 18 HB1 ARG 18 4.500 0.421 -1.489 143 HG2 ARG 18 HG2 ARG 18 6.159 2.184 -1.316 144 HG3 ARG 18 HG1 ARG 18 6.704 0.910 -2.411 145 HD2 ARG 18 HD2 ARG 18 5.856 2.302 -4.310 146 HD3 ARG 18 HD1 ARG 18 5.560 3.596 -3.151 147 HE ARG 18 HE ARG 18 7.778 4.086 -3.216 148 HH11 ARG 18 HH11 ARG 18 7.377 0.787 -4.354 149 HH12 ARG 18 HH12 ARG 18 9.057 0.583 -4.727 150 HH21 ARG 18 HH21 ARG 18 9.997 3.806 -3.706 151 HH22 ARG 18 HH22 ARG 18 10.548 2.299 -4.357 152 H GLY 19 H GLY 19 3.564 -1.904 -2.973 153 HA2 GLY 19 HA2 GLY 19 5.020 -3.631 -4.423 154 HA3 GLY 19 HA1 GLY 19 6.200 -3.092 -3.236 155 H THR 20 H THR 20 6.304 -5.252 -2.432 156 HA THR 20 HA THR 20 3.920 -6.359 -1.208 157 HB THR 20 HB THR 20 5.566 -8.188 -0.504 158 HG1 THR 20 HG1 THR 20 7.459 -6.857 -0.862 159 HG21 THR 20 HG12 THR 20 4.318 -7.618 -3.019 160 HG22 THR 20 HG22 THR 20 4.602 -9.179 -2.252 161 HG23 THR 20 HG23 THR 20 5.833 -8.475 -3.300 162 H CYS 21 H CYS 21 3.513 -6.487 0.930 163 HA CYS 21 HA CYS 21 5.315 -4.997 2.713 164 HB2 CYS 21 HB2 CYS 21 2.968 -4.182 2.512 165 HB3 CYS 21 HB1 CYS 21 2.410 -5.728 3.145 166 H GLY 22 H GLY 22 6.235 -7.447 2.147 167 HA2 GLY 22 HA2 GLY 22 7.225 -9.024 3.620 168 HA3 GLY 22 HA1 GLY 22 5.839 -8.853 4.685 169 H ILE 23 H ILE 23 5.229 -10.959 4.836 170 HA ILE 23 HA ILE 23 4.981 -12.581 2.451 171 HB ILE 23 HB ILE 23 4.271 -13.284 5.302 172 HG12 ILE 23 HG21 ILE 23 6.794 -13.877 3.736 173 HG13 ILE 23 HG11 ILE 23 6.659 -12.681 5.019 174 HG21 ILE 23 HG12 ILE 23 4.211 -15.549 4.602 175 HG22 ILE 23 HG22 ILE 23 4.861 -15.147 3.013 176 HG23 ILE 23 HG23 ILE 23 3.228 -14.642 3.452 177 HD11 ILE 23 HD11 ILE 23 7.259 -15.437 5.224 178 HD12 ILE 23 HD12 ILE 23 5.718 -15.152 6.034 179 HD13 ILE 23 HD13 ILE 23 7.148 -14.235 6.508 180 H ARG 24 H ARG 24 3.273 -12.411 1.213 181 HA ARG 24 HA ARG 24 1.145 -12.295 0.445 182 HB2 ARG 24 HB2 ARG 24 0.455 -13.315 3.204 183 HB3 ARG 24 HB1 ARG 24 -0.619 -13.329 1.812 184 HG2 ARG 24 HG2 ARG 24 0.742 -14.920 0.679 185 HG3 ARG 24 HG1 ARG 24 2.022 -14.767 1.885 186 HD2 ARG 24 HD2 ARG 24 -0.746 -15.876 2.347 187 HD3 ARG 24 HD1 ARG 24 0.745 -16.811 2.235 188 HE ARG 24 HE ARG 24 1.016 -14.876 4.261 189 HH11 ARG 24 HH11 ARG 24 -0.683 -17.860 3.591 190 HH12 ARG 24 HH12 ARG 24 -0.820 -18.312 5.256 191 HH21 ARG 24 HH21 ARG 24 0.838 -15.463 6.469 192 HH22 ARG 24 HH22 ARG 24 0.048 -16.944 6.900 193 H PHE 25 H PHE 25 2.217 -9.895 1.594 194 HA PHE 25 HA PHE 25 -0.311 -8.555 2.253 195 HB2 PHE 25 HB2 PHE 25 2.220 -8.521 3.799 196 HB3 PHE 25 HB1 PHE 25 1.424 -6.968 3.580 197 HD1 PHE 25 HD2 PHE 25 0.702 -10.461 4.676 198 HD2 PHE 25 HD1 PHE 25 -0.207 -6.322 5.049 199 HE1 PHE 25 HE2 PHE 25 -0.818 -10.966 6.545 200 HE2 PHE 25 HE1 PHE 25 -1.724 -6.818 6.919 201 HZ PHE 25 HZ PHE 25 -2.039 -9.142 7.665 202 H LEU 26 H LEU 26 -0.525 -6.455 1.420 203 HA LEU 26 HA LEU 26 1.536 -5.756 -0.563 204 HB2 LEU 26 HB2 LEU 26 -1.447 -5.387 -0.622 205 HB3 LEU 26 HB1 LEU 26 -0.385 -4.465 -1.666 206 HG LEU 26 HG LEU 26 0.501 -6.735 -2.477 207 HD11 LEU 26 HD11 LEU 26 -0.645 -7.965 -0.573 208 HD12 LEU 26 HD12 LEU 26 -0.814 -8.655 -2.187 209 HD13 LEU 26 HD13 LEU 26 -2.143 -7.741 -1.476 210 HD21 LEU 26 HD21 LEU 26 -0.854 -5.272 -3.850 211 HD22 LEU 26 HD22 LEU 26 -2.323 -5.889 -3.093 212 HD23 LEU 26 HD23 LEU 26 -1.332 -6.953 -4.091 213 H TYR 27 H TYR 27 2.441 -3.829 -0.519 214 HA TYR 27 HA TYR 27 1.626 -1.967 1.608 215 HB2 TYR 27 HB2 TYR 27 4.003 -2.972 1.442 216 HB3 TYR 27 HB1 TYR 27 4.216 -1.910 0.057 217 HD1 TYR 27 HD1 TYR 27 2.601 -1.371 3.381 218 HD2 TYR 27 HD2 TYR 27 5.663 -0.219 0.663 219 HE1 TYR 27 HE1 TYR 27 3.262 0.441 4.904 220 HE2 TYR 27 HE2 TYR 27 6.335 1.596 2.178 221 HH TYR 27 HH TYR 27 6.069 1.948 4.864 222 H CYS 28 H CYS 28 0.741 -0.028 1.017 223 HA CYS 28 HA CYS 28 1.198 0.887 -1.743 224 HB2 CYS 28 HB2 CYS 28 -1.498 0.942 -0.380 225 HB3 CYS 28 HB1 CYS 28 -1.127 1.471 -2.017 226 H CYS 29 H CYS 29 1.165 3.088 -2.070 227 HA CYS 29 HA CYS 29 1.189 4.717 0.384 228 HB2 CYS 29 HB2 CYS 29 2.571 5.239 -2.260 229 HB3 CYS 29 HB1 CYS 29 2.673 6.256 -0.826 230 HA PRO 30 HA PRO 30 -2.395 6.644 -1.406 231 HB2 PRO 30 HB2 PRO 30 -2.816 8.507 0.483 232 HB3 PRO 30 HB1 PRO 30 -3.099 6.790 0.791 233 HG2 PRO 30 HG2 PRO 30 -0.773 8.497 1.569 234 HG3 PRO 30 HG1 PRO 30 -1.610 7.251 2.509 235 HD2 PRO 30 HD2 PRO 30 0.760 6.851 1.177 236 HD3 PRO 30 HD1 PRO 30 -0.390 5.561 1.573 237 H ARG 31 H ARG 31 -2.757 9.476 -0.711 238 HA ARG 31 HA ARG 31 -0.614 11.008 -1.761 239 HB2 ARG 31 HB2 ARG 31 -1.603 11.742 -3.859 240 HB3 ARG 31 HB1 ARG 31 -1.371 10.004 -3.886 241 HG2 ARG 31 HG2 ARG 31 -4.018 11.239 -3.199 242 HG3 ARG 31 HG1 ARG 31 -3.530 10.930 -4.864 243 HD2 ARG 31 HD2 ARG 31 -3.193 8.544 -4.263 244 HD3 ARG 31 HD1 ARG 31 -3.823 8.897 -2.655 245 HE ARG 31 HE ARG 31 -5.329 8.447 -5.016 246 HH11 ARG 31 HH11 ARG 31 -5.345 10.319 -2.057 247 HH12 ARG 31 HH12 ARG 31 -7.063 10.524 -2.042 248 HH21 ARG 31 HH21 ARG 31 -7.599 8.714 -5.003 249 HH22 ARG 31 HH22 ARG 31 -8.350 9.609 -3.724 250 H ARG 32 H ARG 32 -2.332 10.938 0.484 251 HA ARG 32 HA ARG 32 -2.885 13.632 0.861 252 HB2 ARG 32 HB2 ARG 32 -4.781 13.179 -0.718 253 HB3 ARG 32 HB1 ARG 32 -5.397 11.989 0.421 254 HG2 ARG 32 HG2 ARG 32 -5.762 13.703 2.079 255 HG3 ARG 32 HG1 ARG 32 -5.030 14.916 1.027 256 HD2 ARG 32 HD2 ARG 32 -6.808 14.591 -0.606 257 HD3 ARG 32 HD1 ARG 32 -7.528 13.342 0.409 258 HE ARG 32 HE ARG 32 -8.547 14.990 1.587 259 HH11 ARG 32 HH11 ARG 32 -5.733 16.397 0.042 260 HH12 ARG 32 HH12 ARG 32 -6.054 17.996 0.621 261 HH21 ARG 32 HH21 ARG 32 -8.977 17.106 2.350 262 HH22 ARG 32 HH22 ARG 32 -7.903 18.400 1.937 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 1.707 11.978 -0.647 2 H2 GLY 1 2HT GLY 1 1.576 10.981 0.714 3 H3 GLY 1 3HT GLY 1 2.263 10.379 -0.705 4 HA2 GLY 1 HA1 GLY 1 4.172 11.734 -0.490 5 HA3 GLY 1 HA2 GLY 1 3.419 12.641 0.817 6 H LEU 2 H LEU 2 4.763 12.220 2.485 7 HA LEU 2 HA LEU 2 5.822 9.601 2.982 8 HB2 LEU 2 HB2 LEU 2 6.804 10.605 5.000 9 HB3 LEU 2 HB1 LEU 2 7.168 11.517 3.552 10 HG LEU 2 HG LEU 2 4.903 12.354 5.341 11 HD11 LEU 2 HD11 LEU 2 6.262 13.449 6.819 12 HD12 LEU 2 HD12 LEU 2 7.606 13.550 5.680 13 HD13 LEU 2 HD13 LEU 2 7.249 12.025 6.492 14 HD21 LEU 2 HD21 LEU 2 6.748 13.856 3.482 15 HD22 LEU 2 HD22 LEU 2 5.450 14.570 4.437 16 HD23 LEU 2 HD23 LEU 2 5.071 13.421 3.155 17 H LEU 3 H LEU 3 3.429 8.860 2.917 18 HA LEU 3 HA LEU 3 2.708 8.224 5.631 19 HB2 LEU 3 HB2 LEU 3 0.222 8.900 4.935 20 HB3 LEU 3 HB1 LEU 3 1.300 9.984 5.791 21 HG LEU 3 HG LEU 3 1.913 10.975 3.541 22 HD11 LEU 3 HD11 LEU 3 1.178 10.035 1.682 23 HD12 LEU 3 HD12 LEU 3 -0.482 10.358 2.179 24 HD13 LEU 3 HD13 LEU 3 0.289 8.833 2.618 25 HD21 LEU 3 HD21 LEU 3 -0.434 11.333 5.160 26 HD22 LEU 3 HD22 LEU 3 -0.772 11.750 3.480 27 HD23 LEU 3 HD23 LEU 3 0.555 12.538 4.333 28 H CYS 4 H CYS 4 3.680 6.496 3.935 29 HA CYS 4 HA CYS 4 1.744 5.171 2.306 30 HB2 CYS 4 HB2 CYS 4 4.310 4.025 3.404 31 HB3 CYS 4 HB1 CYS 4 3.419 3.476 1.993 32 H TYR 5 H TYR 5 0.995 2.935 2.704 33 HA TYR 5 HA TYR 5 0.953 2.150 5.502 34 HB2 TYR 5 HB2 TYR 5 -1.562 1.818 5.385 35 HB3 TYR 5 HB1 TYR 5 -0.977 3.464 5.565 36 HD1 TYR 5 HD2 TYR 5 -1.692 1.179 2.662 37 HD2 TYR 5 HD1 TYR 5 -2.239 4.999 4.447 38 HE1 TYR 5 HE2 TYR 5 -3.080 1.864 0.753 39 HE2 TYR 5 HE1 TYR 5 -3.637 5.692 2.548 40 HH TYR 5 HH TYR 5 -4.014 3.686 -0.308 41 H CYS 6 H CYS 6 0.678 0.103 5.945 42 HA CYS 6 HA CYS 6 0.927 -1.769 3.735 43 HB2 CYS 6 HB2 CYS 6 2.527 -1.979 5.550 44 HB3 CYS 6 HB1 CYS 6 1.228 -2.075 6.730 45 H ARG 7 H ARG 7 -0.787 -2.988 3.077 46 HA ARG 7 HA ARG 7 -3.038 -3.296 4.953 47 HB2 ARG 7 HB2 ARG 7 -3.325 -2.719 2.001 48 HB3 ARG 7 HB1 ARG 7 -4.631 -2.930 3.156 49 HG2 ARG 7 HG2 ARG 7 -2.637 -0.674 3.090 50 HG3 ARG 7 HG1 ARG 7 -4.343 -0.593 2.649 51 HD2 ARG 7 HD2 ARG 7 -3.212 -1.159 5.387 52 HD3 ARG 7 HD1 ARG 7 -4.000 0.327 4.865 53 HE ARG 7 HE ARG 7 -5.796 -1.755 4.437 54 HH11 ARG 7 HH11 ARG 7 -4.177 -0.241 7.137 55 HH12 ARG 7 HH12 ARG 7 -5.456 -0.562 8.260 56 HH21 ARG 7 HH21 ARG 7 -7.491 -2.209 5.918 57 HH22 ARG 7 HH22 ARG 7 -7.346 -1.691 7.566 58 H LYS 8 H LYS 8 -3.975 -5.250 5.008 59 HA LYS 8 HA LYS 8 -2.647 -7.462 3.851 60 HB2 LYS 8 HB2 LYS 8 -3.652 -7.636 6.049 61 HB3 LYS 8 HB1 LYS 8 -5.237 -7.256 5.394 62 HG2 LYS 8 HG2 LYS 8 -5.151 -9.348 4.077 63 HG3 LYS 8 HG1 LYS 8 -3.616 -9.736 4.859 64 HD2 LYS 8 HD2 LYS 8 -4.709 -9.727 7.037 65 HD3 LYS 8 HD1 LYS 8 -6.242 -9.293 6.278 66 HE2 LYS 8 HE2 LYS 8 -6.182 -11.400 5.006 67 HE3 LYS 8 HE1 LYS 8 -4.683 -11.836 5.825 68 HZ1 LYS 8 HZ1 LYS 8 -5.759 -12.240 7.778 69 HZ2 LYS 8 HZ2 LYS 8 -6.988 -12.666 6.698 70 HZ3 LYS 8 HZ3 LYS 8 -7.018 -11.157 7.459 71 H GLY 9 H GLY 9 -3.016 -8.455 2.040 72 HA2 GLY 9 HA2 GLY 9 -4.096 -9.298 0.185 73 HA3 GLY 9 HA1 GLY 9 -5.600 -8.649 0.814 74 H HIS 10 H HIS 10 -5.216 -5.984 0.888 75 HA HIS 10 HA HIS 10 -3.947 -4.909 -1.412 76 HB2 HIS 10 HB2 HIS 10 -5.879 -4.324 -2.759 77 HB3 HIS 10 HB1 HIS 10 -5.837 -6.069 -2.542 78 HD1 HIS 10 HD1 HIS 10 -7.446 -6.821 -0.333 79 HD2 HIS 10 HD2 HIS 10 -8.353 -3.328 -2.395 80 HE1 HIS 10 HE1 HIS 10 -9.842 -6.313 0.229 81 H CYS 11 H CYS 11 -3.992 -2.669 -1.431 82 HA CYS 11 HA CYS 11 -4.485 -1.438 1.058 83 HB2 CYS 11 HB2 CYS 11 -3.836 -0.235 -1.641 84 HB3 CYS 11 HB1 CYS 11 -3.841 0.655 -0.116 85 H LYS 12 H LYS 12 -6.034 -0.016 1.720 86 HA LYS 12 HA LYS 12 -8.638 -0.431 0.764 87 HB2 LYS 12 HB2 LYS 12 -8.978 1.760 2.299 88 HB3 LYS 12 HB1 LYS 12 -8.836 0.131 2.935 89 HG2 LYS 12 HG2 LYS 12 -7.463 1.608 4.229 90 HG3 LYS 12 HG1 LYS 12 -6.425 0.521 3.309 91 HD2 LYS 12 HD2 LYS 12 -5.504 2.744 3.243 92 HD3 LYS 12 HD1 LYS 12 -6.093 2.316 1.639 93 HE2 LYS 12 HE2 LYS 12 -8.179 3.582 2.138 94 HE3 LYS 12 HE1 LYS 12 -7.447 4.103 3.655 95 HZ1 LYS 12 HZ1 LYS 12 -6.192 5.611 2.609 96 HZ2 LYS 12 HZ2 LYS 12 -7.251 5.418 1.306 97 HZ3 LYS 12 HZ3 LYS 12 -5.788 4.565 1.338 98 H ARG 13 H ARG 13 -9.849 0.519 -0.666 99 HA ARG 13 HA ARG 13 -10.680 1.912 -2.225 100 HB2 ARG 13 HB2 ARG 13 -9.010 3.953 -0.766 101 HB3 ARG 13 HB1 ARG 13 -10.040 4.358 -2.133 102 HG2 ARG 13 HG2 ARG 13 -10.942 3.164 0.483 103 HG3 ARG 13 HG1 ARG 13 -11.164 4.835 -0.040 104 HD2 ARG 13 HD2 ARG 13 -12.310 2.401 -1.409 105 HD3 ARG 13 HD1 ARG 13 -13.199 3.486 -0.341 106 HE ARG 13 HE ARG 13 -12.548 3.915 -3.098 107 HH11 ARG 13 HH11 ARG 13 -13.300 5.513 -0.072 108 HH12 ARG 13 HH12 ARG 13 -13.769 7.000 -0.823 109 HH21 ARG 13 HH21 ARG 13 -13.174 5.874 -4.096 110 HH22 ARG 13 HH22 ARG 13 -13.700 7.205 -3.120 111 H GLY 14 H GLY 14 -7.189 2.543 -1.852 112 HA2 GLY 14 HA2 GLY 14 -6.340 1.452 -4.197 113 HA3 GLY 14 HA1 GLY 14 -6.869 3.065 -4.655 114 H GLY 15 H GLY 15 -4.903 3.902 -5.148 115 HA2 GLY 15 HA2 GLY 15 -3.301 5.422 -4.049 116 HA3 GLY 15 HA1 GLY 15 -3.000 4.118 -2.903 117 H ARG 16 H ARG 16 -0.845 5.170 -4.165 118 HA ARG 16 HA ARG 16 -0.284 3.527 -6.488 119 HB2 ARG 16 HB2 ARG 16 0.569 5.740 -6.666 120 HB3 ARG 16 HB1 ARG 16 1.268 5.681 -5.054 121 HG2 ARG 16 HG2 ARG 16 2.958 5.532 -6.829 122 HG3 ARG 16 HG1 ARG 16 2.941 4.108 -5.788 123 HD2 ARG 16 HD2 ARG 16 1.440 3.035 -7.538 124 HD3 ARG 16 HD1 ARG 16 1.875 4.383 -8.587 125 HE ARG 16 HE ARG 16 3.504 2.126 -7.891 126 HH11 ARG 16 HH11 ARG 16 3.569 5.465 -8.944 127 HH12 ARG 16 HH12 ARG 16 5.175 5.369 -9.582 128 HH21 ARG 16 HH21 ARG 16 5.625 1.992 -8.726 129 HH22 ARG 16 HH22 ARG 16 6.349 3.384 -9.460 130 H VAL 17 H VAL 17 0.331 1.521 -6.208 131 HA VAL 17 HA VAL 17 1.168 0.436 -3.753 132 HB VAL 17 HB VAL 17 1.681 -0.768 -6.475 133 HG11 VAL 17 HG11 VAL 17 0.962 -2.676 -4.512 134 HG12 VAL 17 HG21 VAL 17 2.222 -1.647 -3.830 135 HG13 VAL 17 3HG1 VAL 17 2.502 -2.492 -5.352 136 HG21 VAL 17 HG12 VAL 17 -0.812 -0.796 -4.789 137 HG22 VAL 17 HG22 VAL 17 -0.505 -1.950 -6.086 138 HG23 VAL 17 HG23 VAL 17 -0.634 -0.230 -6.450 139 H ARG 18 H ARG 18 3.045 0.455 -2.803 140 HA ARG 18 HA ARG 18 5.373 1.538 -4.175 141 HB2 ARG 18 HB2 ARG 18 4.617 2.291 -1.880 142 HB3 ARG 18 HB1 ARG 18 5.080 0.704 -1.285 143 HG2 ARG 18 HG2 ARG 18 7.393 1.140 -2.021 144 HG3 ARG 18 HG1 ARG 18 6.899 2.766 -2.508 145 HD2 ARG 18 HD2 ARG 18 6.116 3.147 -0.174 146 HD3 ARG 18 HD1 ARG 18 6.817 1.590 0.264 147 HE ARG 18 HE ARG 18 8.898 2.543 0.236 148 HH11 ARG 18 HH11 ARG 18 6.613 4.747 -1.230 149 HH12 ARG 18 HH12 ARG 18 7.767 6.025 -1.422 150 HH21 ARG 18 HH21 ARG 18 10.432 4.230 -0.006 151 HH22 ARG 18 HH22 ARG 18 9.946 5.730 -0.720 152 H GLY 19 H GLY 19 4.173 -1.376 -2.678 153 HA2 GLY 19 HA2 GLY 19 5.563 -3.197 -4.175 154 HA3 GLY 19 HA1 GLY 19 6.630 -2.834 -2.825 155 H THR 20 H THR 20 6.265 -5.188 -2.444 156 HA THR 20 HA THR 20 3.677 -5.891 -1.348 157 HB THR 20 HB THR 20 4.892 -8.093 -0.853 158 HG1 THR 20 HG1 THR 20 7.026 -7.094 -1.094 159 HG21 THR 20 HG12 THR 20 4.892 -8.717 -3.318 160 HG22 THR 20 HG22 THR 20 4.485 -7.032 -3.643 161 HG23 THR 20 HG23 THR 20 3.394 -8.034 -2.686 162 H CYS 21 H CYS 21 3.201 -6.160 0.771 163 HA CYS 21 HA CYS 21 5.213 -5.232 2.698 164 HB2 CYS 21 HB2 CYS 21 2.988 -4.083 2.607 165 HB3 CYS 21 HB1 CYS 21 2.239 -5.593 3.113 166 H GLY 22 H GLY 22 5.584 -7.766 1.682 167 HA2 GLY 22 HA2 GLY 22 6.368 -9.673 2.887 168 HA3 GLY 22 HA1 GLY 22 5.090 -9.407 4.066 169 H ILE 23 H ILE 23 4.165 -11.430 3.951 170 HA ILE 23 HA ILE 23 3.368 -12.459 1.352 171 HB ILE 23 HB ILE 23 4.330 -14.085 2.811 172 HG12 ILE 23 HG21 ILE 23 1.335 -14.515 2.729 173 HG13 ILE 23 HG11 ILE 23 2.446 -14.840 1.404 174 HG21 ILE 23 HG12 ILE 23 4.039 -13.129 4.961 175 HG22 ILE 23 HG22 ILE 23 3.221 -14.692 4.979 176 HG23 ILE 23 HG23 ILE 23 2.281 -13.207 4.831 177 HD11 ILE 23 HD11 ILE 23 3.490 -16.246 3.559 178 HD12 ILE 23 HD12 ILE 23 2.607 -16.905 2.181 179 HD13 ILE 23 HD13 ILE 23 1.745 -16.480 3.661 180 H ARG 24 H ARG 24 1.505 -11.997 0.481 181 HA ARG 24 HA ARG 24 -0.673 -11.477 0.139 182 HB2 ARG 24 HB2 ARG 24 -1.002 -12.649 2.903 183 HB3 ARG 24 HB1 ARG 24 -2.334 -12.234 1.834 184 HG2 ARG 24 HG2 ARG 24 -1.724 -13.903 0.273 185 HG3 ARG 24 HG1 ARG 24 -0.169 -14.170 1.064 186 HD2 ARG 24 HD2 ARG 24 -2.884 -14.766 2.238 187 HD3 ARG 24 HD1 ARG 24 -1.756 -15.955 1.585 188 HE ARG 24 HE ARG 24 -0.519 -14.412 3.618 189 HH11 ARG 24 HH11 ARG 24 -2.823 -17.002 3.147 190 HH12 ARG 24 HH12 ARG 24 -2.537 -17.719 4.696 191 HH21 ARG 24 HH21 ARG 24 -0.142 -15.342 5.676 192 HH22 ARG 24 HH22 ARG 24 -1.006 -16.769 6.144 193 H PHE 25 H PHE 25 1.081 -9.477 1.215 194 HA PHE 25 HA PHE 25 -0.946 -7.651 2.281 195 HB2 PHE 25 HB2 PHE 25 1.741 -8.245 3.477 196 HB3 PHE 25 HB1 PHE 25 1.091 -6.617 3.595 197 HD1 PHE 25 HD2 PHE 25 0.018 -10.148 4.223 198 HD2 PHE 25 HD1 PHE 25 -0.097 -6.080 5.461 199 HE1 PHE 25 HE2 PHE 25 -1.247 -10.798 6.229 200 HE2 PHE 25 HE1 PHE 25 -1.356 -6.723 7.473 201 HZ PHE 25 HZ PHE 25 -1.939 -9.084 7.858 202 H LEU 26 H LEU 26 -0.838 -5.612 1.420 203 HA LEU 26 HA LEU 26 1.324 -5.156 -0.530 204 HB2 LEU 26 HB2 LEU 26 -1.557 -4.274 -0.614 205 HB3 LEU 26 HB1 LEU 26 -0.327 -3.683 -1.712 206 HG LEU 26 HG LEU 26 -1.278 -6.538 -1.481 207 HD11 LEU 26 HD11 LEU 26 -1.487 -4.906 -3.952 208 HD12 LEU 26 HD12 LEU 26 -2.635 -4.598 -2.650 209 HD13 LEU 26 HD13 LEU 26 -2.521 -6.207 -3.362 210 HD21 LEU 26 HD21 LEU 26 0.161 -6.949 -3.431 211 HD22 LEU 26 HD22 LEU 26 1.091 -6.469 -2.011 212 HD23 LEU 26 HD23 LEU 26 0.788 -5.305 -3.300 213 H TYR 27 H TYR 27 2.394 -3.269 -0.510 214 HA TYR 27 HA TYR 27 1.724 -1.377 1.649 215 HB2 TYR 27 HB2 TYR 27 3.933 -2.654 1.732 216 HB3 TYR 27 HB1 TYR 27 4.409 -1.751 0.301 217 HD1 TYR 27 HD2 TYR 27 2.635 -0.650 3.395 218 HD2 TYR 27 HD1 TYR 27 6.098 -0.315 0.955 219 HE1 TYR 27 HE2 TYR 27 3.467 1.156 4.839 220 HE2 TYR 27 HE1 TYR 27 6.946 1.489 2.392 221 HH TYR 27 HH TYR 27 6.032 2.082 5.341 222 H CYS 28 H CYS 28 0.822 0.465 0.882 223 HA CYS 28 HA CYS 28 1.733 1.421 -1.758 224 HB2 CYS 28 HB2 CYS 28 -1.067 1.842 -0.741 225 HB3 CYS 28 HB1 CYS 28 -0.445 2.066 -2.369 226 H CYS 29 H CYS 29 1.561 3.682 -2.141 227 HA CYS 29 HA CYS 29 1.513 5.313 0.313 228 HB2 CYS 29 HB2 CYS 29 3.259 5.764 -2.119 229 HB3 CYS 29 HB1 CYS 29 3.248 6.727 -0.646 230 HA PRO 30 HA PRO 30 -1.689 7.236 -2.197 231 HB2 PRO 30 HB2 PRO 30 -2.750 8.740 -0.215 232 HB3 PRO 30 HB1 PRO 30 -3.075 7.010 -0.370 233 HG2 PRO 30 HG2 PRO 30 -1.205 8.433 1.467 234 HG3 PRO 30 HG1 PRO 30 -2.227 7.020 1.777 235 HD2 PRO 30 HD2 PRO 30 0.472 6.902 1.252 236 HD3 PRO 30 HD1 PRO 30 -0.662 5.568 0.969 237 H ARG 31 H ARG 31 -2.181 9.455 -2.848 238 HA ARG 31 HA ARG 31 0.082 10.994 -3.341 239 HB2 ARG 31 HB2 ARG 31 -1.868 12.860 -3.636 240 HB3 ARG 31 HB1 ARG 31 -1.436 11.673 -4.851 241 HG2 ARG 31 HG2 ARG 31 -3.787 11.686 -4.716 242 HG3 ARG 31 HG1 ARG 31 -3.253 10.206 -3.926 243 HD2 ARG 31 HD2 ARG 31 -3.703 11.081 -1.775 244 HD3 ARG 31 HD1 ARG 31 -3.873 12.722 -2.396 245 HE ARG 31 HE ARG 31 -5.809 11.248 -3.674 246 HH11 ARG 31 HH11 ARG 31 -5.030 11.893 -0.300 247 HH12 ARG 31 HH12 ARG 31 -6.698 11.925 0.187 248 HH21 ARG 31 HH21 ARG 31 -7.993 11.284 -3.002 249 HH22 ARG 31 HH22 ARG 31 -8.372 11.579 -1.338 250 H ARG 32 H ARG 32 -2.431 11.477 -0.908 251 HA ARG 32 HA ARG 32 -0.760 12.436 1.079 252 HB2 ARG 32 HB2 ARG 32 -1.219 14.795 1.164 253 HB3 ARG 32 HB1 ARG 32 -0.598 14.449 -0.442 254 HG2 ARG 32 HG2 ARG 32 -2.383 15.406 -1.334 255 HG3 ARG 32 HG1 ARG 32 -3.421 14.215 -0.545 256 HD2 ARG 32 HD2 ARG 32 -2.458 16.811 0.666 257 HD3 ARG 32 HD1 ARG 32 -4.080 16.498 0.046 258 HE ARG 32 HE ARG 32 -3.423 14.559 1.997 259 HH11 ARG 32 HH11 ARG 32 -4.235 17.967 1.743 260 HH12 ARG 32 HH12 ARG 32 -4.904 18.052 3.338 261 HH21 ARG 32 HH21 ARG 32 -4.280 14.663 4.069 262 HH22 ARG 32 HH22 ARG 32 -4.928 16.155 4.678 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 3.831 14.009 0.822 2 H2 GLY 1 2HT GLY 1 3.052 15.042 1.919 3 H3 GLY 1 3HT GLY 1 2.199 13.772 1.195 4 HA2 GLY 1 HA1 GLY 1 4.540 13.337 2.949 5 HA3 GLY 1 HA2 GLY 1 2.889 13.377 3.556 6 H LEU 2 H LEU 2 5.186 11.292 2.928 7 HA LEU 2 HA LEU 2 3.866 9.381 1.256 8 HB2 LEU 2 HB2 LEU 2 6.335 9.292 2.966 9 HB3 LEU 2 HB1 LEU 2 5.710 7.845 2.202 10 HG LEU 2 HG LEU 2 7.460 8.679 0.828 11 HD11 LEU 2 HD11 LEU 2 5.183 9.742 -0.731 12 HD12 LEU 2 HD12 LEU 2 5.069 8.080 -0.151 13 HD13 LEU 2 HD13 LEU 2 6.419 8.566 -1.175 14 HD21 LEU 2 HD21 LEU 2 7.520 10.929 -0.082 15 HD22 LEU 2 HD22 LEU 2 7.523 10.972 1.681 16 HD23 LEU 2 HD23 LEU 2 6.044 11.341 0.792 17 H LEU 3 H LEU 3 1.860 9.606 2.661 18 HA LEU 3 HA LEU 3 1.843 8.200 5.171 19 HB2 LEU 3 HB2 LEU 3 -0.244 9.461 3.439 20 HB3 LEU 3 HB1 LEU 3 -0.737 8.347 4.697 21 HG LEU 3 HG LEU 3 0.425 9.799 6.364 22 HD11 LEU 3 HD11 LEU 3 0.473 11.993 4.354 23 HD12 LEU 3 HD12 LEU 3 1.831 10.870 4.429 24 HD13 LEU 3 HD13 LEU 3 1.387 11.812 5.852 25 HD21 LEU 3 HD21 LEU 3 -1.441 11.677 5.128 26 HD22 LEU 3 HD22 LEU 3 -1.498 10.886 6.704 27 HD23 LEU 3 HD23 LEU 3 -2.064 10.032 5.268 28 H CYS 4 H CYS 4 2.985 6.437 3.625 29 HA CYS 4 HA CYS 4 1.295 4.719 2.148 30 HB2 CYS 4 HB2 CYS 4 3.910 4.047 3.494 31 HB3 CYS 4 HB1 CYS 4 3.148 3.149 2.190 32 H TYR 5 H TYR 5 0.811 2.465 2.711 33 HA TYR 5 HA TYR 5 0.584 1.873 5.543 34 HB2 TYR 5 HB2 TYR 5 -1.894 1.375 5.254 35 HB3 TYR 5 HB1 TYR 5 -1.439 3.072 5.331 36 HD1 TYR 5 HD2 TYR 5 -2.024 0.390 2.786 37 HD2 TYR 5 HD1 TYR 5 -2.356 4.514 3.767 38 HE1 TYR 5 HE2 TYR 5 -3.209 0.787 0.676 39 HE2 TYR 5 HE1 TYR 5 -3.551 4.923 1.654 40 HH TYR 5 HH TYR 5 -4.297 4.035 -0.251 41 H CYS 6 H CYS 6 0.453 -0.208 6.047 42 HA CYS 6 HA CYS 6 0.901 -2.093 3.875 43 HB2 CYS 6 HB2 CYS 6 2.486 -2.153 5.721 44 HB3 CYS 6 HB1 CYS 6 1.176 -2.359 6.875 45 H ARG 7 H ARG 7 -0.797 -3.228 3.127 46 HA ARG 7 HA ARG 7 -2.954 -3.907 5.014 47 HB2 ARG 7 HB2 ARG 7 -3.406 -2.899 2.197 48 HB3 ARG 7 HB1 ARG 7 -4.651 -3.410 3.324 49 HG2 ARG 7 HG2 ARG 7 -2.879 -0.991 3.547 50 HG3 ARG 7 HG1 ARG 7 -4.613 -1.023 3.231 51 HD2 ARG 7 HD2 ARG 7 -3.217 -1.865 5.767 52 HD3 ARG 7 HD1 ARG 7 -4.198 -0.421 5.534 53 HE ARG 7 HE ARG 7 -5.869 -2.495 4.914 54 HH11 ARG 7 HH11 ARG 7 -3.888 -1.690 7.676 55 HH12 ARG 7 HH12 ARG 7 -4.982 -2.373 8.836 56 HH21 ARG 7 HH21 ARG 7 -7.331 -3.417 6.439 57 HH22 ARG 7 HH22 ARG 7 -6.945 -3.362 8.127 58 H LYS 8 H LYS 8 -3.833 -5.888 4.774 59 HA LYS 8 HA LYS 8 -2.494 -7.741 2.999 60 HB2 LYS 8 HB2 LYS 8 -3.074 -8.244 5.385 61 HB3 LYS 8 HB1 LYS 8 -4.764 -8.280 4.920 62 HG2 LYS 8 HG2 LYS 8 -4.023 -10.057 3.205 63 HG3 LYS 8 HG1 LYS 8 -2.569 -10.181 4.198 64 HD2 LYS 8 HD2 LYS 8 -4.209 -11.849 4.869 65 HD3 LYS 8 HD1 LYS 8 -3.962 -10.669 6.158 66 HE2 LYS 8 HE2 LYS 8 -6.346 -11.247 5.804 67 HE3 LYS 8 HE1 LYS 8 -6.003 -9.532 5.582 68 HZ1 LYS 8 HZ1 LYS 8 -7.475 -10.456 3.860 69 HZ2 LYS 8 HZ2 LYS 8 -6.240 -11.499 3.369 70 HZ3 LYS 8 HZ3 LYS 8 -6.042 -9.823 3.210 71 H GLY 9 H GLY 9 -3.671 -6.021 1.438 72 HA2 GLY 9 HA2 GLY 9 -5.499 -7.563 -0.101 73 HA3 GLY 9 HA1 GLY 9 -6.339 -6.263 0.734 74 H HIS 10 H HIS 10 -6.834 -5.433 -1.404 75 HA HIS 10 HA HIS 10 -4.630 -4.453 -3.001 76 HB2 HIS 10 HB2 HIS 10 -6.755 -5.416 -3.978 77 HB3 HIS 10 HB1 HIS 10 -7.572 -3.949 -3.455 78 HD1 HIS 10 HD1 HIS 10 -7.951 -3.975 -6.215 79 HD2 HIS 10 HD2 HIS 10 -4.196 -2.920 -4.774 80 HE1 HIS 10 HE1 HIS 10 -6.822 -2.761 -8.103 81 H CYS 11 H CYS 11 -4.021 -3.145 -0.964 82 HA CYS 11 HA CYS 11 -3.684 -1.097 -0.015 83 HB2 CYS 11 HB2 CYS 11 -4.980 0.031 -2.492 84 HB3 CYS 11 HB1 CYS 11 -3.779 0.800 -1.459 85 H LYS 12 H LYS 12 -5.323 1.274 -0.536 86 HA LYS 12 HA LYS 12 -7.852 0.554 0.774 87 HB2 LYS 12 HB2 LYS 12 -5.798 2.525 1.744 88 HB3 LYS 12 HB1 LYS 12 -7.493 2.711 2.163 89 HG2 LYS 12 HG2 LYS 12 -7.491 0.560 3.270 90 HG3 LYS 12 HG1 LYS 12 -5.823 0.281 2.772 91 HD2 LYS 12 HD2 LYS 12 -6.025 1.042 5.121 92 HD3 LYS 12 HD1 LYS 12 -5.058 2.126 4.122 93 HE2 LYS 12 HE2 LYS 12 -6.539 3.402 5.559 94 HE3 LYS 12 HE1 LYS 12 -6.998 3.608 3.870 95 HZ1 LYS 12 HZ1 LYS 12 -8.384 2.104 5.992 96 HZ2 LYS 12 HZ2 LYS 12 -8.639 1.711 4.368 97 HZ3 LYS 12 HZ3 LYS 12 -9.005 3.264 4.930 98 H ARG 13 H ARG 13 -8.286 0.935 -1.642 99 HA ARG 13 HA ARG 13 -9.441 2.126 -3.189 100 HB2 ARG 13 HB2 ARG 13 -9.609 4.204 -0.999 101 HB3 ARG 13 HB1 ARG 13 -10.423 4.344 -2.548 102 HG2 ARG 13 HG2 ARG 13 -11.720 2.340 -2.060 103 HG3 ARG 13 HG1 ARG 13 -10.885 2.171 -0.514 104 HD2 ARG 13 HD2 ARG 13 -11.763 4.351 0.189 105 HD3 ARG 13 HD1 ARG 13 -12.607 4.503 -1.351 106 HE ARG 13 HE ARG 13 -13.410 2.108 -0.166 107 HH11 ARG 13 HH11 ARG 13 -13.666 5.550 0.412 108 HH12 ARG 13 HH12 ARG 13 -15.173 5.432 1.256 109 HH21 ARG 13 HH21 ARG 13 -15.410 1.942 0.950 110 HH22 ARG 13 HH22 ARG 13 -16.168 3.373 1.564 111 H GLY 14 H GLY 14 -8.426 5.204 -2.026 112 HA2 GLY 14 HA2 GLY 14 -6.991 5.745 -4.443 113 HA3 GLY 14 HA1 GLY 14 -7.209 6.842 -3.090 114 H GLY 15 H GLY 15 -5.461 3.846 -3.904 115 HA2 GLY 15 HA2 GLY 15 -3.018 5.067 -2.872 116 HA3 GLY 15 HA1 GLY 15 -3.572 3.603 -2.072 117 H ARG 16 H ARG 16 -1.292 4.497 -3.998 118 HA ARG 16 HA ARG 16 -1.604 2.437 -6.036 119 HB2 ARG 16 HB2 ARG 16 0.548 4.534 -5.661 120 HB3 ARG 16 HB1 ARG 16 0.458 3.401 -7.003 121 HG2 ARG 16 HG2 ARG 16 -1.553 5.546 -6.354 122 HG3 ARG 16 HG1 ARG 16 -0.363 5.585 -7.657 123 HD2 ARG 16 HD2 ARG 16 -1.414 3.649 -8.695 124 HD3 ARG 16 HD1 ARG 16 -2.580 3.558 -7.375 125 HE ARG 16 HE ARG 16 -2.706 6.114 -8.528 126 HH11 ARG 16 HH11 ARG 16 -3.485 2.791 -9.282 127 HH12 ARG 16 HH12 ARG 16 -4.771 3.197 -10.368 128 HH21 ARG 16 HH21 ARG 16 -4.409 6.666 -9.961 129 HH22 ARG 16 HH22 ARG 16 -5.299 5.410 -10.755 130 H VAL 17 H VAL 17 -0.550 0.565 -5.939 131 HA VAL 17 HA VAL 17 0.615 -0.311 -3.559 132 HB VAL 17 HB VAL 17 -0.350 -1.939 -5.008 133 HG11 VAL 17 HG11 VAL 17 1.780 -1.698 -7.072 134 HG12 VAL 17 HG21 VAL 17 0.424 -0.571 -7.111 135 HG13 VAL 17 3HG1 VAL 17 0.132 -2.306 -7.218 136 HG21 VAL 17 HG12 VAL 17 2.203 -3.069 -5.509 137 HG22 VAL 17 HG22 VAL 17 1.066 -3.439 -4.212 138 HG23 VAL 17 HG23 VAL 17 2.279 -2.178 -3.989 139 H ARG 18 H ARG 18 2.519 -0.053 -2.729 140 HA ARG 18 HA ARG 18 4.627 1.207 -4.284 141 HB2 ARG 18 HB2 ARG 18 3.972 2.035 -2.002 142 HB3 ARG 18 HB1 ARG 18 4.582 0.525 -1.336 143 HG2 ARG 18 HG2 ARG 18 6.212 2.307 -1.102 144 HG3 ARG 18 HG1 ARG 18 6.810 1.045 -2.184 145 HD2 ARG 18 HD2 ARG 18 5.996 2.440 -4.103 146 HD3 ARG 18 HD1 ARG 18 5.662 3.725 -2.945 147 HE ARG 18 HE ARG 18 7.877 4.232 -2.959 148 HH11 ARG 18 HH11 ARG 18 7.532 0.926 -4.095 149 HH12 ARG 18 HH12 ARG 18 9.222 0.737 -4.431 150 HH21 ARG 18 HH21 ARG 18 10.108 3.975 -3.403 151 HH22 ARG 18 HH22 ARG 18 10.688 2.471 -4.037 152 H GLY 19 H GLY 19 3.752 -1.801 -2.846 153 HA2 GLY 19 HA2 GLY 19 5.313 -3.482 -4.273 154 HA3 GLY 19 HA1 GLY 19 6.392 -2.968 -2.981 155 H THR 20 H THR 20 6.415 -5.182 -2.255 156 HA THR 20 HA THR 20 3.914 -6.176 -1.138 157 HB THR 20 HB THR 20 5.474 -8.166 -0.538 158 HG1 THR 20 HG1 THR 20 7.405 -8.196 -1.511 159 HG21 THR 20 HG12 THR 20 3.699 -8.044 -2.342 160 HG22 THR 20 HG22 THR 20 5.006 -9.195 -2.626 161 HG23 THR 20 HG23 THR 20 4.997 -7.644 -3.467 162 H CYS 21 H CYS 21 3.529 -6.412 0.999 163 HA CYS 21 HA CYS 21 5.442 -5.131 2.821 164 HB2 CYS 21 HB2 CYS 21 3.122 -4.239 2.766 165 HB3 CYS 21 HB1 CYS 21 2.529 -5.814 3.283 166 H GLY 22 H GLY 22 6.416 -7.444 2.160 167 HA2 GLY 22 HA2 GLY 22 7.356 -9.206 3.410 168 HA3 GLY 22 HA1 GLY 22 6.019 -9.080 4.545 169 H ILE 23 H ILE 23 5.109 -11.049 4.550 170 HA ILE 23 HA ILE 23 4.656 -12.366 1.977 171 HB ILE 23 HB ILE 23 5.840 -13.730 3.575 172 HG12 ILE 23 HG21 ILE 23 4.300 -15.691 3.703 173 HG13 ILE 23 HG11 ILE 23 2.985 -14.643 3.182 174 HG21 ILE 23 HG12 ILE 23 3.738 -12.817 5.423 175 HG22 ILE 23 HG22 ILE 23 5.436 -13.187 5.720 176 HG23 ILE 23 HG23 ILE 23 4.257 -14.493 5.601 177 HD11 ILE 23 HD11 ILE 23 3.796 -14.473 1.038 178 HD12 ILE 23 HD12 ILE 23 4.233 -16.129 1.460 179 HD13 ILE 23 HD13 ILE 23 5.449 -14.853 1.518 180 H ARG 24 H ARG 24 2.746 -12.437 1.092 181 HA ARG 24 HA ARG 24 0.529 -12.267 0.684 182 HB2 ARG 24 HB2 ARG 24 0.254 -13.160 3.558 183 HB3 ARG 24 HB1 ARG 24 -1.019 -13.194 2.345 184 HG2 ARG 24 HG2 ARG 24 0.244 -14.809 1.036 185 HG3 ARG 24 HG1 ARG 24 1.556 -14.751 2.214 186 HD2 ARG 24 HD2 ARG 24 0.260 -16.701 2.667 187 HD3 ARG 24 HD1 ARG 24 -0.065 -15.533 3.944 188 HE ARG 24 HE ARG 24 -2.248 -15.525 3.311 189 HH11 ARG 24 HH11 ARG 24 -0.361 -16.788 0.645 190 HH12 ARG 24 HH12 ARG 24 -1.741 -17.139 -0.339 191 HH21 ARG 24 HH21 ARG 24 -4.079 -15.997 2.015 192 HH22 ARG 24 HH22 ARG 24 -3.862 -16.689 0.443 193 H PHE 25 H PHE 25 1.937 -9.908 1.742 194 HA PHE 25 HA PHE 25 -0.442 -8.375 2.503 195 HB2 PHE 25 HB2 PHE 25 2.185 -8.459 3.937 196 HB3 PHE 25 HB1 PHE 25 1.314 -6.934 3.860 197 HD1 PHE 25 HD2 PHE 25 0.700 -10.521 4.724 198 HD2 PHE 25 HD1 PHE 25 -0.130 -6.432 5.551 199 HE1 PHE 25 HE2 PHE 25 -0.655 -11.192 6.664 200 HE2 PHE 25 HE1 PHE 25 -1.481 -7.093 7.496 201 HZ PHE 25 HZ PHE 25 -1.750 -9.476 8.052 202 H LEU 26 H LEU 26 -0.543 -6.323 1.599 203 HA LEU 26 HA LEU 26 1.573 -5.741 -0.360 204 HB2 LEU 26 HB2 LEU 26 -1.382 -5.167 -0.431 205 HB3 LEU 26 HB1 LEU 26 -0.248 -4.372 -1.503 206 HG LEU 26 HG LEU 26 0.432 -6.738 -2.244 207 HD11 LEU 26 HD11 LEU 26 -1.058 -8.518 -1.905 208 HD12 LEU 26 HD12 LEU 26 -2.292 -7.465 -1.213 209 HD13 LEU 26 HD13 LEU 26 -0.817 -7.808 -0.309 210 HD21 LEU 26 HD21 LEU 26 -0.639 -5.894 -4.001 211 HD22 LEU 26 HD22 LEU 26 -1.801 -5.046 -2.980 212 HD23 LEU 26 HD23 LEU 26 -2.074 -6.734 -3.413 213 H TYR 27 H TYR 27 2.497 -3.777 -0.418 214 HA TYR 27 HA TYR 27 1.749 -1.896 1.722 215 HB2 TYR 27 HB2 TYR 27 4.109 -2.930 1.608 216 HB3 TYR 27 HB1 TYR 27 4.351 -1.926 0.184 217 HD1 TYR 27 HD1 TYR 27 2.807 -1.321 3.534 218 HD2 TYR 27 HD2 TYR 27 5.725 -0.140 0.674 219 HE1 TYR 27 HE1 TYR 27 3.468 0.543 4.991 220 HE2 TYR 27 HE2 TYR 27 6.396 1.730 2.125 221 HH TYR 27 HH TYR 27 6.199 2.629 4.185 222 H CYS 28 H CYS 28 0.761 -0.048 1.051 223 HA CYS 28 HA CYS 28 1.298 0.843 -1.709 224 HB2 CYS 28 HB2 CYS 28 -1.423 0.980 -0.416 225 HB3 CYS 28 HB1 CYS 28 -1.003 1.341 -2.086 226 H CYS 29 H CYS 29 0.951 3.059 -2.137 227 HA CYS 29 HA CYS 29 0.846 4.791 0.243 228 HB2 CYS 29 HB2 CYS 29 2.612 5.249 -2.174 229 HB3 CYS 29 HB1 CYS 29 2.550 6.228 -0.714 230 HA PRO 30 HA PRO 30 -2.541 6.520 -2.084 231 HB2 PRO 30 HB2 PRO 30 -2.769 8.842 -0.631 232 HB3 PRO 30 HB1 PRO 30 -3.454 7.289 -0.141 233 HG2 PRO 30 HG2 PRO 30 -0.920 8.608 0.739 234 HG3 PRO 30 HG1 PRO 30 -2.107 7.706 1.699 235 HD2 PRO 30 HD2 PRO 30 0.225 6.611 0.920 236 HD3 PRO 30 HD1 PRO 30 -1.266 5.655 1.043 237 H ARG 31 H ARG 31 0.318 8.425 -1.288 238 HA ARG 31 HA ARG 31 0.726 9.326 -3.923 239 HB2 ARG 31 HB2 ARG 31 0.300 11.739 -3.579 240 HB3 ARG 31 HB1 ARG 31 -1.176 10.787 -3.504 241 HG2 ARG 31 HG2 ARG 31 -1.019 10.855 -1.019 242 HG3 ARG 31 HG1 ARG 31 0.351 11.957 -1.187 243 HD2 ARG 31 HD2 ARG 31 -1.699 13.200 -0.794 244 HD3 ARG 31 HD1 ARG 31 -1.077 13.529 -2.411 245 HE ARG 31 HE ARG 31 -2.899 11.423 -2.604 246 HH11 ARG 31 HH11 ARG 31 -2.888 14.831 -1.828 247 HH12 ARG 31 HH12 ARG 31 -4.511 15.097 -2.368 248 HH21 ARG 31 HH21 ARG 31 -5.042 11.757 -3.327 249 HH22 ARG 31 HH22 ARG 31 -5.744 13.337 -3.227 250 H ARG 32 H ARG 32 1.962 11.844 -3.123 251 HA ARG 32 HA ARG 32 4.184 10.779 -1.523 252 HB2 ARG 32 HB2 ARG 32 4.219 12.890 -3.691 253 HB3 ARG 32 HB1 ARG 32 5.604 12.455 -2.700 254 HG2 ARG 32 HG2 ARG 32 5.467 10.154 -3.591 255 HG3 ARG 32 HG1 ARG 32 4.155 10.675 -4.648 256 HD2 ARG 32 HD2 ARG 32 6.958 11.791 -4.634 257 HD3 ARG 32 HD1 ARG 32 6.316 10.647 -5.811 258 HE ARG 32 HE ARG 32 5.986 13.464 -5.820 259 HH11 ARG 32 HH11 ARG 32 4.280 10.502 -6.584 260 HH12 ARG 32 HH12 ARG 32 3.262 11.241 -7.774 261 HH21 ARG 32 HH21 ARG 32 4.634 14.447 -7.389 262 HH22 ARG 32 HH22 ARG 32 3.465 13.489 -8.232 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 7.199 11.601 0.835 2 H2 GLY 1 2HT GLY 1 7.247 10.451 2.077 3 H3 GLY 1 3HT GLY 1 8.632 11.342 1.701 4 HA2 GLY 1 HA1 GLY 1 8.073 12.814 3.234 5 HA3 GLY 1 HA2 GLY 1 6.685 13.212 2.229 6 H LEU 2 H LEU 2 4.902 11.382 2.411 7 HA LEU 2 HA LEU 2 4.324 11.220 5.271 8 HB2 LEU 2 HB2 LEU 2 2.657 12.061 3.528 9 HB3 LEU 2 HB1 LEU 2 2.516 10.393 3.005 10 HG LEU 2 HG LEU 2 1.655 9.738 5.185 11 HD11 LEU 2 HD11 LEU 2 2.796 12.240 5.991 12 HD12 LEU 2 HD12 LEU 2 2.173 10.925 6.987 13 HD13 LEU 2 HD13 LEU 2 1.088 12.193 6.422 14 HD21 LEU 2 HD21 LEU 2 -0.003 10.423 3.613 15 HD22 LEU 2 HD22 LEU 2 0.297 12.127 3.952 16 HD23 LEU 2 HD23 LEU 2 -0.443 11.103 5.181 17 H LEU 3 H LEU 3 4.127 9.315 6.377 18 HA LEU 3 HA LEU 3 5.618 7.120 5.487 19 HB2 LEU 3 HB2 LEU 3 4.943 5.989 7.491 20 HB3 LEU 3 HB1 LEU 3 5.269 7.666 7.865 21 HG LEU 3 HG LEU 3 2.462 6.674 7.411 22 HD11 LEU 3 HD11 LEU 3 3.241 7.052 10.186 23 HD12 LEU 3 HD12 LEU 3 4.106 5.724 9.411 24 HD13 LEU 3 HD13 LEU 3 2.343 5.733 9.431 25 HD21 LEU 3 HD21 LEU 3 1.881 8.617 8.777 26 HD22 LEU 3 HD22 LEU 3 2.807 9.094 7.354 27 HD23 LEU 3 HD23 LEU 3 3.591 9.024 8.933 28 H CYS 4 H CYS 4 5.129 5.248 4.528 29 HA CYS 4 HA CYS 4 2.617 5.030 3.169 30 HB2 CYS 4 HB2 CYS 4 4.833 2.980 3.310 31 HB3 CYS 4 HB1 CYS 4 3.567 3.093 2.095 32 H TYR 5 H TYR 5 1.301 3.015 3.275 33 HA TYR 5 HA TYR 5 1.293 1.905 5.995 34 HB2 TYR 5 HB2 TYR 5 -1.250 1.852 5.742 35 HB3 TYR 5 HB1 TYR 5 -0.495 3.408 6.054 36 HD1 TYR 5 HD2 TYR 5 -1.735 1.295 3.237 37 HD2 TYR 5 HD1 TYR 5 -1.030 5.223 4.701 38 HE1 TYR 5 HE2 TYR 5 -2.877 2.223 1.272 39 HE2 TYR 5 HE1 TYR 5 -2.177 6.165 2.740 40 HH TYR 5 HH TYR 5 -2.659 5.388 0.337 41 H CYS 6 H CYS 6 1.008 -0.154 6.278 42 HA CYS 6 HA CYS 6 1.150 -1.896 3.994 43 HB2 CYS 6 HB2 CYS 6 2.495 -2.319 6.020 44 HB3 CYS 6 HB1 CYS 6 1.019 -2.505 6.957 45 H ARG 7 H ARG 7 -0.576 -2.970 3.104 46 HA ARG 7 HA ARG 7 -3.065 -3.045 4.682 47 HB2 ARG 7 HB2 ARG 7 -2.893 -2.373 1.740 48 HB3 ARG 7 HB1 ARG 7 -4.366 -2.502 2.689 49 HG2 ARG 7 HG2 ARG 7 -2.198 -0.439 2.999 50 HG3 ARG 7 HG1 ARG 7 -3.816 -0.188 2.344 51 HD2 ARG 7 HD2 ARG 7 -3.125 -0.967 5.176 52 HD3 ARG 7 HD1 ARG 7 -3.677 0.616 4.633 53 HE ARG 7 HE ARG 7 -5.617 -1.197 3.850 54 HH11 ARG 7 HH11 ARG 7 -4.184 -0.128 6.852 55 HH12 ARG 7 HH12 ARG 7 -5.624 -0.372 7.785 56 HH21 ARG 7 HH21 ARG 7 -7.533 -1.533 5.075 57 HH22 ARG 7 HH22 ARG 7 -7.535 -1.176 6.769 58 H LYS 8 H LYS 8 -4.307 -4.819 4.496 59 HA LYS 8 HA LYS 8 -3.149 -7.131 3.177 60 HB2 LYS 8 HB2 LYS 8 -3.947 -7.298 5.485 61 HB3 LYS 8 HB1 LYS 8 -5.567 -6.871 4.980 62 HG2 LYS 8 HG2 LYS 8 -5.258 -9.287 5.405 63 HG3 LYS 8 HG1 LYS 8 -5.791 -8.927 3.761 64 HD2 LYS 8 HD2 LYS 8 -3.549 -9.222 2.925 65 HD3 LYS 8 HD1 LYS 8 -2.929 -9.433 4.564 66 HE2 LYS 8 HE2 LYS 8 -4.925 -11.247 3.217 67 HE3 LYS 8 HE1 LYS 8 -3.196 -11.566 3.349 68 HZ1 LYS 8 HZ1 LYS 8 -3.620 -12.504 5.295 69 HZ2 LYS 8 HZ2 LYS 8 -5.240 -12.023 5.253 70 HZ3 LYS 8 HZ3 LYS 8 -4.070 -10.991 5.904 71 H GLY 9 H GLY 9 -3.823 -5.386 1.349 72 HA2 GLY 9 HA2 GLY 9 -5.415 -6.712 -0.469 73 HA3 GLY 9 HA1 GLY 9 -6.485 -5.578 0.350 74 H HIS 10 H HIS 10 -6.694 -4.621 -1.814 75 HA HIS 10 HA HIS 10 -4.414 -3.334 -2.970 76 HB2 HIS 10 HB2 HIS 10 -5.956 -2.381 -4.609 77 HB3 HIS 10 HB1 HIS 10 -6.211 -4.106 -4.423 78 HD1 HIS 10 HD1 HIS 10 -8.401 -2.528 -5.708 79 HD2 HIS 10 HD2 HIS 10 -8.200 -3.088 -1.594 80 HE1 HIS 10 HE1 HIS 10 -10.750 -2.219 -4.872 81 H CYS 11 H CYS 11 -3.983 -2.328 -0.768 82 HA CYS 11 HA CYS 11 -3.719 -0.437 0.484 83 HB2 CYS 11 HB2 CYS 11 -4.908 1.068 -1.840 84 HB3 CYS 11 HB1 CYS 11 -3.743 1.649 -0.657 85 H LYS 12 H LYS 12 -5.298 1.959 0.348 86 HA LYS 12 HA LYS 12 -7.494 1.157 2.035 87 HB2 LYS 12 HB2 LYS 12 -6.442 3.830 1.122 88 HB3 LYS 12 HB1 LYS 12 -7.912 3.682 2.069 89 HG2 LYS 12 HG2 LYS 12 -6.671 2.662 3.883 90 HG3 LYS 12 HG1 LYS 12 -5.190 2.729 2.927 91 HD2 LYS 12 HD2 LYS 12 -5.233 4.560 4.517 92 HD3 LYS 12 HD1 LYS 12 -5.354 5.186 2.874 93 HE2 LYS 12 HE2 LYS 12 -7.800 4.682 4.544 94 HE3 LYS 12 HE1 LYS 12 -6.888 6.183 4.687 95 HZ1 LYS 12 HZ1 LYS 12 -8.641 6.538 3.148 96 HZ2 LYS 12 HZ2 LYS 12 -8.267 5.142 2.272 97 HZ3 LYS 12 HZ3 LYS 12 -7.213 6.464 2.245 98 H ARG 13 H ARG 13 -8.122 -0.019 -0.189 99 HA ARG 13 HA ARG 13 -9.763 -0.327 -1.725 100 HB2 ARG 13 HB2 ARG 13 -11.215 0.707 0.053 101 HB3 ARG 13 HB1 ARG 13 -10.970 2.263 -0.726 102 HG2 ARG 13 HG2 ARG 13 -11.970 1.299 -2.799 103 HG3 ARG 13 HG1 ARG 13 -12.356 -0.150 -1.871 104 HD2 ARG 13 HD2 ARG 13 -13.300 2.640 -1.222 105 HD3 ARG 13 HD1 ARG 13 -14.259 1.407 -2.039 106 HE ARG 13 HE ARG 13 -13.363 0.328 0.370 107 HH11 ARG 13 HH11 ARG 13 -15.457 2.898 -0.729 108 HH12 ARG 13 HH12 ARG 13 -16.505 2.819 0.647 109 HH21 ARG 13 HH21 ARG 13 -14.743 0.205 2.200 110 HH22 ARG 13 HH22 ARG 13 -16.096 1.280 2.323 111 H GLY 14 H GLY 14 -7.497 0.564 -2.715 112 HA2 GLY 14 HA2 GLY 14 -8.346 2.099 -5.009 113 HA3 GLY 14 HA1 GLY 14 -7.170 2.920 -3.991 114 H GLY 15 H GLY 15 -5.287 2.841 -5.035 115 HA2 GLY 15 HA2 GLY 15 -3.984 0.326 -5.430 116 HA3 GLY 15 HA1 GLY 15 -4.462 1.058 -6.954 117 H ARG 16 H ARG 16 -2.852 1.981 -3.911 118 HA ARG 16 HA ARG 16 -0.923 3.508 -5.531 119 HB2 ARG 16 HB2 ARG 16 -2.039 4.100 -2.793 120 HB3 ARG 16 HB1 ARG 16 -0.584 4.871 -3.405 121 HG2 ARG 16 HG2 ARG 16 -3.289 5.012 -4.725 122 HG3 ARG 16 HG1 ARG 16 -2.611 6.252 -3.669 123 HD2 ARG 16 HD2 ARG 16 -2.214 6.960 -5.903 124 HD3 ARG 16 HD1 ARG 16 -0.669 6.402 -5.263 125 HE ARG 16 HE ARG 16 -1.982 4.286 -6.608 126 HH11 ARG 16 HH11 ARG 16 -0.259 7.263 -7.250 127 HH12 ARG 16 HH12 ARG 16 0.273 6.766 -8.820 128 HH21 ARG 16 HH21 ARG 16 -1.287 3.620 -8.660 129 HH22 ARG 16 HH22 ARG 16 -0.317 4.679 -9.631 130 H VAL 17 H VAL 17 -0.698 0.773 -4.983 131 HA VAL 17 HA VAL 17 1.036 0.303 -2.774 132 HB VAL 17 HB VAL 17 -0.308 -1.514 -3.628 133 HG11 VAL 17 HG11 VAL 17 0.257 -2.547 -5.848 134 HG12 VAL 17 HG21 VAL 17 1.180 -1.089 -6.207 135 HG13 VAL 17 3HG1 VAL 17 -0.557 -0.984 -5.926 136 HG21 VAL 17 HG12 VAL 17 2.139 -1.834 -2.767 137 HG22 VAL 17 HG22 VAL 17 2.433 -2.363 -4.423 138 HG23 VAL 17 HG23 VAL 17 1.236 -3.196 -3.431 139 H ARG 18 H ARG 18 3.217 0.278 -2.674 140 HA ARG 18 HA ARG 18 4.680 0.929 -5.144 141 HB2 ARG 18 HB2 ARG 18 4.902 2.154 -2.417 142 HB3 ARG 18 HB1 ARG 18 6.295 2.129 -3.490 143 HG2 ARG 18 HG2 ARG 18 4.927 3.293 -5.204 144 HG3 ARG 18 HG1 ARG 18 3.629 3.424 -4.014 145 HD2 ARG 18 HD2 ARG 18 5.049 5.464 -4.203 146 HD3 ARG 18 HD1 ARG 18 4.985 4.776 -2.582 147 HE ARG 18 HE ARG 18 7.233 4.488 -2.683 148 HH11 ARG 18 HH11 ARG 18 6.054 4.721 -5.972 149 HH12 ARG 18 HH12 ARG 18 7.627 4.595 -6.685 150 HH21 ARG 18 HH21 ARG 18 9.314 4.325 -3.616 151 HH22 ARG 18 HH22 ARG 18 9.488 4.369 -5.339 152 H GLY 19 H GLY 19 4.200 -1.335 -2.813 153 HA2 GLY 19 HA2 GLY 19 6.413 -2.890 -3.611 154 HA3 GLY 19 HA1 GLY 19 6.777 -2.139 -2.065 155 H THR 20 H THR 20 6.826 -4.717 -1.894 156 HA THR 20 HA THR 20 4.178 -5.708 -1.181 157 HB THR 20 HB THR 20 5.573 -7.854 -0.725 158 HG1 THR 20 HG1 THR 20 7.552 -7.909 -1.763 159 HG21 THR 20 HG12 THR 20 4.822 -6.640 -3.342 160 HG22 THR 20 HG22 THR 20 4.166 -8.062 -2.529 161 HG23 THR 20 HG23 THR 20 5.727 -8.154 -3.347 162 H CYS 21 H CYS 21 3.583 -6.220 0.878 163 HA CYS 21 HA CYS 21 5.409 -5.316 2.998 164 HB2 CYS 21 HB2 CYS 21 3.207 -4.171 2.815 165 HB3 CYS 21 HB1 CYS 21 2.412 -5.709 3.125 166 H GLY 22 H GLY 22 6.045 -7.736 2.020 167 HA2 GLY 22 HA2 GLY 22 6.720 -9.701 3.135 168 HA3 GLY 22 HA1 GLY 22 5.397 -9.478 4.273 169 H ILE 23 H ILE 23 4.361 -11.399 4.118 170 HA ILE 23 HA ILE 23 3.795 -12.504 1.494 171 HB ILE 23 HB ILE 23 4.566 -14.095 3.094 172 HG12 ILE 23 HG21 ILE 23 1.584 -14.454 2.721 173 HG13 ILE 23 HG11 ILE 23 2.817 -14.860 1.533 174 HG21 ILE 23 HG12 ILE 23 4.111 -13.091 5.176 175 HG22 ILE 23 HG22 ILE 23 3.190 -14.596 5.154 176 HG23 ILE 23 HG23 ILE 23 2.376 -13.057 4.870 177 HD11 ILE 23 HD11 ILE 23 2.300 -16.169 4.182 178 HD12 ILE 23 HD12 ILE 23 3.765 -16.450 3.242 179 HD13 ILE 23 HD13 ILE 23 2.191 -16.877 2.570 180 H ARG 24 H ARG 24 2.040 -12.098 0.430 181 HA ARG 24 HA ARG 24 -0.046 -11.461 -0.170 182 HB2 ARG 24 HB2 ARG 24 -0.738 -12.760 2.466 183 HB3 ARG 24 HB1 ARG 24 -1.915 -12.298 1.246 184 HG2 ARG 24 HG2 ARG 24 0.304 -14.302 0.875 185 HG3 ARG 24 HG1 ARG 24 -1.397 -14.680 1.152 186 HD2 ARG 24 HD2 ARG 24 -1.994 -13.551 -0.931 187 HD3 ARG 24 HD1 ARG 24 -0.300 -13.143 -1.202 188 HE ARG 24 HE ARG 24 0.017 -15.233 -2.039 189 HH11 ARG 24 HH11 ARG 24 -2.916 -15.285 -0.124 190 HH12 ARG 24 HH12 ARG 24 -3.287 -16.935 -0.496 191 HH21 ARG 24 HH21 ARG 24 -0.473 -17.415 -2.539 192 HH22 ARG 24 HH22 ARG 24 -1.894 -18.148 -1.872 193 H PHE 25 H PHE 25 1.462 -9.426 1.063 194 HA PHE 25 HA PHE 25 -0.725 -7.745 2.040 195 HB2 PHE 25 HB2 PHE 25 1.829 -8.325 3.461 196 HB3 PHE 25 HB1 PHE 25 1.244 -6.668 3.495 197 HD1 PHE 25 HD1 PHE 25 0.344 -10.158 4.360 198 HD2 PHE 25 HD2 PHE 25 -0.483 -6.024 4.920 199 HE1 PHE 25 HE1 PHE 25 -1.166 -10.715 6.222 200 HE2 PHE 25 HE2 PHE 25 -1.993 -6.571 6.781 201 HZ PHE 25 HZ PHE 25 -2.340 -8.916 7.434 202 H LEU 26 H LEU 26 -0.674 -5.680 1.256 203 HA LEU 26 HA LEU 26 1.486 -5.112 -0.654 204 HB2 LEU 26 HB2 LEU 26 -1.368 -4.168 -0.520 205 HB3 LEU 26 HB1 LEU 26 -0.180 -3.403 -1.552 206 HG LEU 26 HG LEU 26 0.162 -5.702 -2.611 207 HD11 LEU 26 HD11 LEU 26 -1.078 -6.860 -0.704 208 HD12 LEU 26 HD12 LEU 26 -1.453 -7.373 -2.350 209 HD13 LEU 26 HD13 LEU 26 -2.555 -6.299 -1.488 210 HD21 LEU 26 HD21 LEU 26 -1.113 -3.745 -3.559 211 HD22 LEU 26 HD22 LEU 26 -2.581 -4.527 -2.974 212 HD23 LEU 26 HD23 LEU 26 -1.570 -5.333 -4.173 213 H TYR 27 H TYR 27 2.738 -3.376 -0.465 214 HA TYR 27 HA TYR 27 2.343 -1.653 1.876 215 HB2 TYR 27 HB2 TYR 27 4.545 -2.877 1.458 216 HB3 TYR 27 HB1 TYR 27 4.775 -1.806 0.081 217 HD1 TYR 27 HD1 TYR 27 3.550 -1.169 3.556 218 HD2 TYR 27 HD2 TYR 27 6.480 -0.335 0.585 219 HE1 TYR 27 HE1 TYR 27 4.576 0.497 5.044 220 HE2 TYR 27 HE2 TYR 27 7.513 1.334 2.066 221 HH TYR 27 HH TYR 27 7.607 2.059 4.244 222 H CYS 28 H CYS 28 0.957 -0.091 1.279 223 HA CYS 28 HA CYS 28 1.361 1.260 -1.295 224 HB2 CYS 28 HB2 CYS 28 -1.007 1.384 0.575 225 HB3 CYS 28 HB1 CYS 28 -0.917 2.068 -1.044 226 H CYS 29 H CYS 29 1.679 3.433 -1.449 227 HA CYS 29 HA CYS 29 2.194 4.838 1.084 228 HB2 CYS 29 HB2 CYS 29 3.330 5.364 -1.672 229 HB3 CYS 29 HB1 CYS 29 3.687 6.309 -0.228 230 HA PRO 30 HA PRO 30 -1.272 7.465 0.501 231 HB2 PRO 30 HB2 PRO 30 0.570 9.666 1.298 232 HB3 PRO 30 HB1 PRO 30 -1.009 9.223 1.957 233 HG2 PRO 30 HG2 PRO 30 1.206 8.618 3.285 234 HG3 PRO 30 HG1 PRO 30 -0.137 7.461 3.204 235 HD2 PRO 30 HD2 PRO 30 2.456 7.462 1.718 236 HD3 PRO 30 HD1 PRO 30 1.543 6.098 2.394 237 H ARG 31 H ARG 31 1.747 9.081 -0.578 238 HA ARG 31 HA ARG 31 0.778 9.365 -3.240 239 HB2 ARG 31 HB2 ARG 31 -0.589 11.107 -2.148 240 HB3 ARG 31 HB1 ARG 31 0.877 11.881 -1.564 241 HG2 ARG 31 HG2 ARG 31 -0.020 13.022 -3.518 242 HG3 ARG 31 HG1 ARG 31 1.571 12.336 -3.850 243 HD2 ARG 31 HD2 ARG 31 0.534 10.442 -4.979 244 HD3 ARG 31 HD1 ARG 31 -1.067 11.080 -4.609 245 HE ARG 31 HE ARG 31 0.654 11.875 -6.744 246 HH11 ARG 31 HH11 ARG 31 -1.868 13.007 -4.594 247 HH12 ARG 31 HH12 ARG 31 -2.354 14.304 -5.632 248 HH21 ARG 31 HH21 ARG 31 0.013 13.590 -8.126 249 HH22 ARG 31 HH22 ARG 31 -1.284 14.635 -7.649 250 H ARG 32 H ARG 32 2.935 10.916 -0.857 251 HA ARG 32 HA ARG 32 5.289 10.087 -2.170 252 HB2 ARG 32 HB2 ARG 32 6.114 12.229 -2.991 253 HB3 ARG 32 HB1 ARG 32 4.615 11.813 -3.809 254 HG2 ARG 32 HG2 ARG 32 3.384 13.367 -2.434 255 HG3 ARG 32 HG1 ARG 32 4.832 13.720 -1.488 256 HD2 ARG 32 HD2 ARG 32 5.916 14.596 -3.512 257 HD3 ARG 32 HD1 ARG 32 4.443 14.279 -4.426 258 HE ARG 32 HE ARG 32 3.789 15.884 -2.232 259 HH11 ARG 32 HH11 ARG 32 5.616 16.085 -5.203 260 HH12 ARG 32 HH12 ARG 32 5.367 17.787 -5.401 261 HH21 ARG 32 HH21 ARG 32 3.447 18.139 -2.480 262 HH22 ARG 32 HH22 ARG 32 4.127 18.962 -3.844 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -2.278 10.616 -0.112 2 H2 GLY 1 2HT GLY 1 -2.838 12.163 0.283 3 H3 GLY 1 3HT GLY 1 -3.764 10.802 0.687 4 HA2 GLY 1 HA1 GLY 1 -2.305 11.977 2.484 5 HA3 GLY 1 HA2 GLY 1 -2.436 10.223 2.439 6 H LEU 2 H LEU 2 -0.253 12.229 3.242 7 HA LEU 2 HA LEU 2 1.881 11.762 1.399 8 HB2 LEU 2 HB2 LEU 2 1.791 12.892 4.188 9 HB3 LEU 2 HB1 LEU 2 3.299 12.662 3.327 10 HG LEU 2 HG LEU 2 2.715 14.940 3.075 11 HD11 LEU 2 HD11 LEU 2 1.727 14.538 0.467 12 HD12 LEU 2 HD12 LEU 2 2.804 13.190 0.833 13 HD13 LEU 2 HD13 LEU 2 3.387 14.848 0.974 14 HD21 LEU 2 HD21 LEU 2 0.306 14.631 3.683 15 HD22 LEU 2 HD22 LEU 2 0.012 14.150 2.011 16 HD23 LEU 2 HD23 LEU 2 0.603 15.772 2.371 17 H LEU 3 H LEU 3 1.033 10.456 4.583 18 HA LEU 3 HA LEU 3 3.271 8.669 4.616 19 HB2 LEU 3 HB2 LEU 3 0.844 8.934 6.379 20 HB3 LEU 3 HB1 LEU 3 2.045 7.683 6.616 21 HG LEU 3 HG LEU 3 2.555 9.389 8.163 22 HD11 LEU 3 HD11 LEU 3 4.340 8.765 6.051 23 HD12 LEU 3 HD12 LEU 3 4.706 9.157 7.731 24 HD13 LEU 3 HD13 LEU 3 4.606 10.442 6.527 25 HD21 LEU 3 HD21 LEU 3 3.109 11.749 7.108 26 HD22 LEU 3 HD22 LEU 3 1.478 11.321 7.624 27 HD23 LEU 3 HD23 LEU 3 1.916 11.225 5.919 28 H CYS 4 H CYS 4 3.400 6.663 3.897 29 HA CYS 4 HA CYS 4 1.162 5.502 2.472 30 HB2 CYS 4 HB2 CYS 4 3.924 4.344 2.890 31 HB3 CYS 4 HB1 CYS 4 2.752 3.883 1.663 32 H TYR 5 H TYR 5 0.651 3.119 2.854 33 HA TYR 5 HA TYR 5 1.220 2.201 5.540 34 HB2 TYR 5 HB2 TYR 5 -1.306 1.810 5.918 35 HB3 TYR 5 HB1 TYR 5 -0.634 3.406 6.213 36 HD1 TYR 5 HD1 TYR 5 -1.664 1.817 2.980 37 HD2 TYR 5 HD2 TYR 5 -2.375 4.880 5.846 38 HE1 TYR 5 HE1 TYR 5 -3.362 2.801 1.501 39 HE2 TYR 5 HE2 TYR 5 -4.073 5.870 4.373 40 HH TYR 5 HH TYR 5 -4.949 5.851 2.300 41 H CYS 6 H CYS 6 0.881 0.106 5.961 42 HA CYS 6 HA CYS 6 0.971 -1.661 3.707 43 HB2 CYS 6 HB2 CYS 6 2.383 -2.068 5.640 44 HB3 CYS 6 HB1 CYS 6 0.977 -2.143 6.693 45 H ARG 7 H ARG 7 -0.735 -2.785 2.858 46 HA ARG 7 HA ARG 7 -3.189 -2.987 4.486 47 HB2 ARG 7 HB2 ARG 7 -3.208 -2.527 1.501 48 HB3 ARG 7 HB1 ARG 7 -4.576 -2.488 2.600 49 HG2 ARG 7 HG2 ARG 7 -2.341 -0.481 2.416 50 HG3 ARG 7 HG1 ARG 7 -4.025 -0.252 1.944 51 HD2 ARG 7 HD2 ARG 7 -3.077 -0.808 4.752 52 HD3 ARG 7 HD1 ARG 7 -3.451 0.790 4.115 53 HE ARG 7 HE ARG 7 -5.713 -0.704 3.690 54 HH11 ARG 7 HH11 ARG 7 -3.758 0.115 6.459 55 HH12 ARG 7 HH12 ARG 7 -5.096 0.195 7.559 56 HH21 ARG 7 HH21 ARG 7 -7.508 -0.604 5.138 57 HH22 ARG 7 HH22 ARG 7 -7.237 -0.219 6.802 58 H LYS 8 H LYS 8 -4.180 -4.953 4.448 59 HA LYS 8 HA LYS 8 -2.767 -7.170 3.404 60 HB2 LYS 8 HB2 LYS 8 -4.088 -7.330 5.466 61 HB3 LYS 8 HB1 LYS 8 -5.560 -7.024 4.560 62 HG2 LYS 8 HG2 LYS 8 -5.284 -9.106 3.350 63 HG3 LYS 8 HG1 LYS 8 -3.752 -9.401 4.176 64 HD2 LYS 8 HD2 LYS 8 -4.957 -9.446 6.329 65 HD3 LYS 8 HD1 LYS 8 -6.477 -9.229 5.460 66 HE2 LYS 8 HE2 LYS 8 -6.107 -11.327 4.272 67 HE3 LYS 8 HE1 LYS 8 -4.569 -11.539 5.108 68 HZ1 LYS 8 HZ1 LYS 8 -7.280 -11.556 6.312 69 HZ2 LYS 8 HZ2 LYS 8 -5.854 -11.537 7.219 70 HZ3 LYS 8 HZ3 LYS 8 -6.195 -12.850 6.209 71 H GLY 9 H GLY 9 -2.880 -8.054 1.509 72 HA2 GLY 9 HA2 GLY 9 -3.656 -8.728 -0.558 73 HA3 GLY 9 HA1 GLY 9 -5.261 -8.193 -0.077 74 H HIS 10 H HIS 10 -5.832 -7.057 -1.887 75 HA HIS 10 HA HIS 10 -4.096 -5.314 -3.285 76 HB2 HIS 10 HB2 HIS 10 -7.084 -5.656 -3.258 77 HB3 HIS 10 HB1 HIS 10 -6.340 -4.340 -4.158 78 HD1 HIS 10 HD1 HIS 10 -7.727 -5.989 -6.021 79 HD2 HIS 10 HD2 HIS 10 -3.993 -7.177 -4.624 80 HE1 HIS 10 HE1 HIS 10 -6.867 -7.639 -7.713 81 H CYS 11 H CYS 11 -3.887 -3.097 -3.241 82 HA CYS 11 HA CYS 11 -3.741 -1.799 -0.853 83 HB2 CYS 11 HB2 CYS 11 -4.285 -0.519 -3.534 84 HB3 CYS 11 HB1 CYS 11 -3.641 0.297 -2.112 85 H LYS 12 H LYS 12 -4.980 -0.545 0.395 86 HA LYS 12 HA LYS 12 -7.835 -0.343 -0.306 87 HB2 LYS 12 HB2 LYS 12 -6.566 -0.340 2.444 88 HB3 LYS 12 HB1 LYS 12 -8.287 -0.262 2.103 89 HG2 LYS 12 HG2 LYS 12 -6.500 -2.586 1.413 90 HG3 LYS 12 HG1 LYS 12 -7.534 -2.489 2.839 91 HD2 LYS 12 HD2 LYS 12 -9.487 -2.205 1.303 92 HD3 LYS 12 HD1 LYS 12 -8.399 -2.521 -0.050 93 HE2 LYS 12 HE2 LYS 12 -8.929 -4.400 2.252 94 HE3 LYS 12 HE1 LYS 12 -9.639 -4.531 0.645 95 HZ1 LYS 12 HZ1 LYS 12 -7.027 -5.316 1.561 96 HZ2 LYS 12 HZ2 LYS 12 -6.980 -4.408 0.132 97 HZ3 LYS 12 HZ3 LYS 12 -7.900 -5.825 0.206 98 H ARG 13 H ARG 13 -8.485 1.642 -0.774 99 HA ARG 13 HA ARG 13 -8.765 3.887 -0.787 100 HB2 ARG 13 HB2 ARG 13 -8.754 3.811 1.653 101 HB3 ARG 13 HB1 ARG 13 -6.997 3.883 1.664 102 HG2 ARG 13 HG2 ARG 13 -7.936 6.046 2.198 103 HG3 ARG 13 HG1 ARG 13 -7.089 6.115 0.653 104 HD2 ARG 13 HD2 ARG 13 -9.174 7.322 0.490 105 HD3 ARG 13 HD1 ARG 13 -9.251 5.872 -0.510 106 HE ARG 13 HE ARG 13 -10.306 5.316 2.043 107 HH11 ARG 13 HH11 ARG 13 -11.064 7.078 -0.875 108 HH12 ARG 13 HH12 ARG 13 -12.779 6.977 -0.656 109 HH21 ARG 13 HH21 ARG 13 -12.578 5.175 2.354 110 HH22 ARG 13 HH22 ARG 13 -13.643 5.891 1.191 111 H GLY 14 H GLY 14 -5.378 3.030 -0.087 112 HA2 GLY 14 HA2 GLY 14 -4.171 5.253 -1.283 113 HA3 GLY 14 HA1 GLY 14 -3.414 3.681 -1.078 114 H GLY 15 H GLY 15 -5.131 2.166 -2.692 115 HA2 GLY 15 HA2 GLY 15 -5.652 1.651 -4.872 116 HA3 GLY 15 HA1 GLY 15 -5.364 3.328 -5.295 117 H ARG 16 H ARG 16 -2.791 3.804 -4.899 118 HA ARG 16 HA ARG 16 -1.541 2.017 -6.814 119 HB2 ARG 16 HB2 ARG 16 -1.435 4.480 -7.123 120 HB3 ARG 16 HB1 ARG 16 -0.475 4.593 -5.654 121 HG2 ARG 16 HG2 ARG 16 0.877 4.672 -7.719 122 HG3 ARG 16 HG1 ARG 16 1.310 3.334 -6.653 123 HD2 ARG 16 HD2 ARG 16 1.245 2.585 -8.963 124 HD3 ARG 16 HD1 ARG 16 -0.035 1.811 -8.030 125 HE ARG 16 HE ARG 16 -1.589 2.850 -9.347 126 HH11 ARG 16 HH11 ARG 16 1.525 4.347 -9.892 127 HH12 ARG 16 HH12 ARG 16 0.966 5.350 -11.188 128 HH21 ARG 16 HH21 ARG 16 -2.342 4.174 -11.058 129 HH22 ARG 16 HH22 ARG 16 -1.244 5.253 -11.855 130 H VAL 17 H VAL 17 -0.330 0.421 -6.246 131 HA VAL 17 HA VAL 17 0.526 -0.017 -3.570 132 HB VAL 17 HB VAL 17 -0.091 -1.916 -4.908 133 HG11 VAL 17 HG11 VAL 17 1.794 -0.751 -6.850 134 HG12 VAL 17 HG21 VAL 17 0.295 -1.644 -7.113 135 HG13 VAL 17 3HG1 VAL 17 1.784 -2.511 -6.736 136 HG21 VAL 17 HG12 VAL 17 2.418 -3.008 -4.907 137 HG22 VAL 17 HG22 VAL 17 1.324 -2.938 -3.526 138 HG23 VAL 17 HG23 VAL 17 2.561 -1.699 -3.735 139 H ARG 18 H ARG 18 2.476 0.165 -2.668 140 HA ARG 18 HA ARG 18 4.502 1.667 -4.154 141 HB2 ARG 18 HB2 ARG 18 3.666 2.592 -2.008 142 HB3 ARG 18 HB1 ARG 18 4.235 1.150 -1.184 143 HG2 ARG 18 HG2 ARG 18 5.740 3.052 -0.887 144 HG3 ARG 18 HG1 ARG 18 6.528 1.707 -1.717 145 HD2 ARG 18 HD2 ARG 18 5.254 3.933 -3.264 146 HD3 ARG 18 HD1 ARG 18 6.876 4.120 -2.595 147 HE ARG 18 HE ARG 18 6.692 1.692 -4.039 148 HH11 ARG 18 HH11 ARG 18 6.906 5.151 -4.524 149 HH12 ARG 18 HH12 ARG 18 7.612 5.018 -6.099 150 HH21 ARG 18 HH21 ARG 18 7.612 1.504 -6.110 151 HH22 ARG 18 HH22 ARG 18 8.015 2.929 -7.009 152 H GLY 19 H GLY 19 3.861 -1.332 -2.518 153 HA2 GLY 19 HA2 GLY 19 5.782 -2.831 -3.822 154 HA3 GLY 19 HA1 GLY 19 6.553 -2.258 -2.349 155 H THR 20 H THR 20 6.611 -4.679 -2.009 156 HA THR 20 HA THR 20 4.083 -5.847 -1.197 157 HB THR 20 HB THR 20 5.730 -7.788 -0.569 158 HG1 THR 20 HG1 THR 20 7.692 -7.674 -1.595 159 HG21 THR 20 HG12 THR 20 4.239 -7.141 -2.823 160 HG22 THR 20 HG22 THR 20 4.934 -8.717 -2.441 161 HG23 THR 20 HG23 THR 20 5.823 -7.585 -3.461 162 H CYS 21 H CYS 21 3.517 -6.390 0.892 163 HA CYS 21 HA CYS 21 5.243 -5.271 3.005 164 HB2 CYS 21 HB2 CYS 21 3.066 -4.106 2.712 165 HB3 CYS 21 HB1 CYS 21 2.241 -5.621 3.061 166 H GLY 22 H GLY 22 5.852 -7.745 2.130 167 HA2 GLY 22 HA2 GLY 22 6.447 -9.701 3.295 168 HA3 GLY 22 HA1 GLY 22 5.144 -9.390 4.433 169 H ILE 23 H ILE 23 3.995 -11.252 4.346 170 HA ILE 23 HA ILE 23 3.299 -12.330 1.720 171 HB ILE 23 HB ILE 23 2.405 -14.283 3.031 172 HG12 ILE 23 HG21 ILE 23 3.866 -12.940 5.320 173 HG13 ILE 23 HG11 ILE 23 2.116 -13.075 5.184 174 HG21 ILE 23 HG12 ILE 23 5.089 -14.479 3.906 175 HG22 ILE 23 HG22 ILE 23 5.079 -13.529 2.421 176 HG23 ILE 23 HG23 ILE 23 4.362 -15.139 2.441 177 HD11 ILE 23 HD11 ILE 23 2.930 -15.672 4.921 178 HD12 ILE 23 HD12 ILE 23 2.353 -14.917 6.407 179 HD13 ILE 23 HD13 ILE 23 4.085 -15.020 6.084 180 H ARG 24 H ARG 24 1.391 -12.102 0.850 181 HA ARG 24 HA ARG 24 -0.780 -11.587 0.471 182 HB2 ARG 24 HB2 ARG 24 -1.107 -12.409 3.359 183 HB3 ARG 24 HB1 ARG 24 -2.432 -12.144 2.236 184 HG2 ARG 24 HG2 ARG 24 -0.271 -14.215 1.905 185 HG3 ARG 24 HG1 ARG 24 -1.890 -14.520 2.537 186 HD2 ARG 24 HD2 ARG 24 -2.851 -13.761 0.410 187 HD3 ARG 24 HD1 ARG 24 -1.227 -13.484 -0.218 188 HE ARG 24 HE ARG 24 -1.377 -16.132 0.656 189 HH11 ARG 24 HH11 ARG 24 -2.771 -14.104 -1.829 190 HH12 ARG 24 HH12 ARG 24 -2.987 -15.400 -2.955 191 HH21 ARG 24 HH21 ARG 24 -1.661 -17.859 -0.827 192 HH22 ARG 24 HH22 ARG 24 -2.354 -17.544 -2.382 193 H PHE 25 H PHE 25 1.107 -9.547 1.713 194 HA PHE 25 HA PHE 25 -0.975 -7.569 2.306 195 HB2 PHE 25 HB2 PHE 25 1.501 -8.146 3.908 196 HB3 PHE 25 HB1 PHE 25 0.856 -6.513 3.850 197 HD1 PHE 25 HD1 PHE 25 -0.338 -10.002 4.491 198 HD2 PHE 25 HD2 PHE 25 -0.578 -5.876 5.499 199 HE1 PHE 25 HE1 PHE 25 -1.905 -10.541 6.309 200 HE2 PHE 25 HE2 PHE 25 -2.144 -6.407 7.319 201 HZ PHE 25 HZ PHE 25 -2.813 -8.740 7.723 202 H LEU 26 H LEU 26 -0.652 -5.602 1.370 203 HA LEU 26 HA LEU 26 1.830 -5.286 -0.185 204 HB2 LEU 26 HB2 LEU 26 -1.015 -4.794 -0.964 205 HB3 LEU 26 HB1 LEU 26 0.249 -3.818 -1.676 206 HG LEU 26 HG LEU 26 1.332 -5.952 -2.467 207 HD11 LEU 26 HD11 LEU 26 -1.273 -7.335 -2.136 208 HD12 LEU 26 HD12 LEU 26 -0.177 -7.280 -0.755 209 HD13 LEU 26 HD13 LEU 26 0.355 -7.999 -2.275 210 HD21 LEU 26 HD21 LEU 26 0.373 -5.156 -4.308 211 HD22 LEU 26 HD22 LEU 26 -1.073 -4.649 -3.433 212 HD23 LEU 26 HD23 LEU 26 -0.926 -6.309 -4.006 213 H TYR 27 H TYR 27 2.854 -3.405 -0.042 214 HA TYR 27 HA TYR 27 1.887 -1.461 1.909 215 HB2 TYR 27 HB2 TYR 27 4.264 -2.335 1.928 216 HB3 TYR 27 HB1 TYR 27 4.513 -1.519 0.391 217 HD1 TYR 27 HD1 TYR 27 2.913 -0.496 3.616 218 HD2 TYR 27 HD2 TYR 27 5.866 0.317 0.664 219 HE1 TYR 27 HE1 TYR 27 3.547 1.550 4.821 220 HE2 TYR 27 HE2 TYR 27 6.507 2.366 1.861 221 HH TYR 27 HH TYR 27 6.361 3.212 4.275 222 H CYS 28 H CYS 28 0.803 0.339 1.192 223 HA CYS 28 HA CYS 28 1.380 1.221 -1.556 224 HB2 CYS 28 HB2 CYS 28 -1.428 1.186 -0.482 225 HB3 CYS 28 HB1 CYS 28 -0.885 1.354 -2.149 226 H CYS 29 H CYS 29 0.924 3.388 -2.035 227 HA CYS 29 HA CYS 29 0.791 5.124 0.341 228 HB2 CYS 29 HB2 CYS 29 1.997 5.697 -2.378 229 HB3 CYS 29 HB1 CYS 29 1.993 6.797 -1.003 230 HA PRO 30 HA PRO 30 -3.186 6.258 -1.321 231 HB2 PRO 30 HB2 PRO 30 -3.712 8.261 0.449 232 HB3 PRO 30 HB1 PRO 30 -3.895 6.546 0.834 233 HG2 PRO 30 HG2 PRO 30 -1.654 8.410 1.500 234 HG3 PRO 30 HG1 PRO 30 -2.409 7.160 2.505 235 HD2 PRO 30 HD2 PRO 30 -0.040 6.791 1.242 236 HD3 PRO 30 HD1 PRO 30 -1.184 5.467 1.540 237 H ARG 31 H ARG 31 -3.092 7.270 -3.247 238 HA ARG 31 HA ARG 31 -1.754 9.846 -3.466 239 HB2 ARG 31 HB2 ARG 31 -1.476 8.062 -5.213 240 HB3 ARG 31 HB1 ARG 31 -3.168 8.282 -5.636 241 HG2 ARG 31 HG2 ARG 31 -1.479 9.460 -7.097 242 HG3 ARG 31 HG1 ARG 31 -2.788 10.456 -6.461 243 HD2 ARG 31 HD2 ARG 31 -0.684 11.642 -6.280 244 HD3 ARG 31 HD1 ARG 31 -1.294 11.248 -4.675 245 HE ARG 31 HE ARG 31 0.558 9.959 -4.323 246 HH11 ARG 31 HH11 ARG 31 0.293 10.612 -7.750 247 HH12 ARG 31 HH12 ARG 31 1.820 9.896 -8.140 248 HH21 ARG 31 HH21 ARG 31 2.574 9.004 -4.824 249 HH22 ARG 31 HH22 ARG 31 3.123 8.975 -6.468 250 H ARG 32 H ARG 32 -3.982 9.725 -1.801 251 HA ARG 32 HA ARG 32 -5.497 11.925 -2.766 252 HB2 ARG 32 HB2 ARG 32 -6.690 10.062 -3.904 253 HB3 ARG 32 HB1 ARG 32 -6.954 9.299 -2.343 254 HG2 ARG 32 HG2 ARG 32 -8.931 10.502 -3.183 255 HG3 ARG 32 HG1 ARG 32 -8.358 11.118 -1.633 256 HD2 ARG 32 HD2 ARG 32 -7.206 12.945 -2.799 257 HD3 ARG 32 HD1 ARG 32 -7.804 12.333 -4.340 258 HE ARG 32 HE ARG 32 -9.230 13.914 -2.434 259 HH11 ARG 32 HH11 ARG 32 -9.597 11.519 -4.957 260 HH12 ARG 32 HH12 ARG 32 -11.254 11.913 -5.277 261 HH21 ARG 32 HH21 ARG 32 -11.422 14.445 -2.845 262 HH22 ARG 32 HH22 ARG 32 -12.297 13.586 -4.069 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 8.052 6.776 -1.613 2 H2 GLY 1 2HT GLY 1 7.942 8.338 -0.988 3 H3 GLY 1 3HT GLY 1 6.889 7.848 -2.226 4 HA2 GLY 1 HA1 GLY 1 5.503 7.609 -0.470 5 HA3 GLY 1 HA2 GLY 1 6.244 6.014 -0.504 6 H LEU 2 H LEU 2 5.125 7.840 1.655 7 HA LEU 2 HA LEU 2 7.237 7.306 3.593 8 HB2 LEU 2 HB2 LEU 2 5.984 10.017 3.146 9 HB3 LEU 2 HB1 LEU 2 6.786 9.581 4.641 10 HG LEU 2 HG LEU 2 8.111 9.656 1.926 11 HD11 LEU 2 HD11 LEU 2 7.569 11.888 2.595 12 HD12 LEU 2 HD12 LEU 2 9.290 11.632 2.882 13 HD13 LEU 2 HD13 LEU 2 8.155 11.595 4.232 14 HD21 LEU 2 HD21 LEU 2 9.601 9.619 4.498 15 HD22 LEU 2 HD22 LEU 2 10.065 9.002 2.913 16 HD23 LEU 2 HD23 LEU 2 8.920 8.103 3.907 17 H LEU 3 H LEU 3 4.060 8.892 3.308 18 HA LEU 3 HA LEU 3 3.152 7.567 5.735 19 HB2 LEU 3 HB2 LEU 3 1.749 9.540 3.923 20 HB3 LEU 3 HB1 LEU 3 1.116 8.934 5.442 21 HG LEU 3 HG LEU 3 3.604 10.620 5.130 22 HD11 LEU 3 HD11 LEU 3 2.316 12.385 6.160 23 HD12 LEU 3 HD12 LEU 3 0.906 11.331 6.269 24 HD13 LEU 3 HD13 LEU 3 1.511 11.836 4.691 25 HD21 LEU 3 HD21 LEU 3 3.906 10.524 7.413 26 HD22 LEU 3 HD22 LEU 3 3.381 8.879 7.059 27 HD23 LEU 3 HD23 LEU 3 2.237 10.045 7.723 28 H CYS 4 H CYS 4 3.687 5.677 4.014 29 HA CYS 4 HA CYS 4 1.370 5.015 2.404 30 HB2 CYS 4 HB2 CYS 4 3.881 3.408 2.878 31 HB3 CYS 4 HB1 CYS 4 2.695 3.165 1.600 32 H TYR 5 H TYR 5 0.480 2.781 2.542 33 HA TYR 5 HA TYR 5 0.531 1.655 5.231 34 HB2 TYR 5 HB2 TYR 5 -2.040 1.421 5.015 35 HB3 TYR 5 HB1 TYR 5 -1.375 2.970 5.512 36 HD1 TYR 5 HD1 TYR 5 -2.503 1.169 2.427 37 HD2 TYR 5 HD2 TYR 5 -2.082 4.894 4.439 38 HE1 TYR 5 HE1 TYR 5 -3.720 2.282 0.605 39 HE2 TYR 5 HE2 TYR 5 -3.297 6.018 2.621 40 HH TYR 5 HH TYR 5 -5.048 4.332 0.254 41 H CYS 6 H CYS 6 0.655 -0.471 5.236 42 HA CYS 6 HA CYS 6 0.400 -1.801 2.670 43 HB2 CYS 6 HB2 CYS 6 1.636 -3.617 3.625 44 HB3 CYS 6 HB1 CYS 6 2.461 -2.108 3.970 45 H ARG 7 H ARG 7 -1.116 -3.307 2.196 46 HA ARG 7 HA ARG 7 -2.888 -4.234 4.348 47 HB2 ARG 7 HB2 ARG 7 -3.685 -2.799 1.835 48 HB3 ARG 7 HB1 ARG 7 -4.764 -3.997 2.529 49 HG2 ARG 7 HG2 ARG 7 -5.509 -1.955 3.378 50 HG3 ARG 7 HG1 ARG 7 -4.586 -2.672 4.697 51 HD2 ARG 7 HD2 ARG 7 -2.640 -1.294 4.019 52 HD3 ARG 7 HD1 ARG 7 -3.647 -0.524 2.795 53 HE ARG 7 HE ARG 7 -4.591 0.761 4.428 54 HH11 ARG 7 HH11 ARG 7 -2.837 -1.861 5.958 55 HH12 ARG 7 HH12 ARG 7 -3.161 -1.302 7.569 56 HH21 ARG 7 HH21 ARG 7 -4.998 1.508 6.555 57 HH22 ARG 7 HH22 ARG 7 -4.386 0.618 7.908 58 H LYS 8 H LYS 8 -3.562 -6.318 4.145 59 HA LYS 8 HA LYS 8 -2.135 -7.964 2.310 60 HB2 LYS 8 HB2 LYS 8 -2.699 -8.615 4.661 61 HB3 LYS 8 HB1 LYS 8 -4.377 -8.770 4.163 62 HG2 LYS 8 HG2 LYS 8 -2.254 -10.305 2.731 63 HG3 LYS 8 HG1 LYS 8 -2.850 -10.869 4.290 64 HD2 LYS 8 HD2 LYS 8 -4.890 -11.437 3.456 65 HD3 LYS 8 HD1 LYS 8 -4.883 -10.133 2.265 66 HE2 LYS 8 HE2 LYS 8 -3.269 -12.679 2.106 67 HE3 LYS 8 HE1 LYS 8 -4.742 -12.335 1.200 68 HZ1 LYS 8 HZ1 LYS 8 -3.074 -11.800 -0.287 69 HZ2 LYS 8 HZ2 LYS 8 -2.065 -11.132 0.898 70 HZ3 LYS 8 HZ3 LYS 8 -3.441 -10.287 0.382 71 H GLY 9 H GLY 9 -5.502 -7.053 2.676 72 HA2 GLY 9 HA2 GLY 9 -6.449 -8.683 0.548 73 HA3 GLY 9 HA1 GLY 9 -7.336 -7.383 1.326 74 H HIS 10 H HIS 10 -6.282 -5.132 0.733 75 HA HIS 10 HA HIS 10 -5.130 -4.787 -1.814 76 HB2 HIS 10 HB2 HIS 10 -7.367 -5.651 -2.530 77 HB3 HIS 10 HB1 HIS 10 -8.123 -4.301 -1.697 78 HD1 HIS 10 HD1 HIS 10 -7.470 -1.846 -2.720 79 HD2 HIS 10 HD2 HIS 10 -6.691 -5.166 -5.111 80 HE1 HIS 10 HE1 HIS 10 -7.179 -0.951 -5.050 81 H CYS 11 H CYS 11 -4.758 -2.591 -2.269 82 HA CYS 11 HA CYS 11 -4.374 -0.882 -0.140 83 HB2 CYS 11 HB2 CYS 11 -4.940 0.097 -2.932 84 HB3 CYS 11 HB1 CYS 11 -3.871 0.801 -1.724 85 H LYS 12 H LYS 12 -5.500 0.794 0.755 86 HA LYS 12 HA LYS 12 -8.375 0.797 0.252 87 HB2 LYS 12 HB2 LYS 12 -6.709 1.859 2.534 88 HB3 LYS 12 HB1 LYS 12 -8.435 2.160 2.389 89 HG2 LYS 12 HG2 LYS 12 -7.173 -0.571 2.554 90 HG3 LYS 12 HG1 LYS 12 -7.897 0.297 3.909 91 HD2 LYS 12 HD2 LYS 12 -10.047 0.337 2.699 92 HD3 LYS 12 HD1 LYS 12 -9.309 -0.590 1.392 93 HE2 LYS 12 HE2 LYS 12 -8.883 -2.436 2.917 94 HE3 LYS 12 HE1 LYS 12 -9.555 -1.506 4.255 95 HZ1 LYS 12 HZ1 LYS 12 -11.598 -2.113 3.689 96 HZ2 LYS 12 HZ2 LYS 12 -10.923 -3.201 2.585 97 HZ3 LYS 12 HZ3 LYS 12 -11.378 -1.653 2.076 98 H ARG 13 H ARG 13 -9.477 2.533 -0.453 99 HA ARG 13 HA ARG 13 -9.930 4.512 -1.448 100 HB2 ARG 13 HB2 ARG 13 -7.536 5.483 0.129 101 HB3 ARG 13 HB1 ARG 13 -8.696 6.519 -0.691 102 HG2 ARG 13 HG2 ARG 13 -10.460 5.791 0.773 103 HG3 ARG 13 HG1 ARG 13 -9.395 4.604 1.524 104 HD2 ARG 13 HD2 ARG 13 -9.580 6.518 2.968 105 HD3 ARG 13 HD1 ARG 13 -7.949 6.450 2.306 106 HE ARG 13 HE ARG 13 -8.311 8.477 1.344 107 HH11 ARG 13 HH11 ARG 13 -11.436 7.089 2.121 108 HH12 ARG 13 HH12 ARG 13 -12.326 8.485 1.613 109 HH21 ARG 13 HH21 ARG 13 -9.488 10.326 0.678 110 HH22 ARG 13 HH22 ARG 13 -11.217 10.328 0.789 111 H GLY 14 H GLY 14 -7.674 6.471 -2.088 112 HA2 GLY 14 HA2 GLY 14 -7.079 5.342 -4.682 113 HA3 GLY 14 HA1 GLY 14 -6.704 6.969 -4.138 114 H GLY 15 H GLY 15 -5.804 3.856 -2.701 115 HA2 GLY 15 HA2 GLY 15 -3.042 4.741 -2.569 116 HA3 GLY 15 HA1 GLY 15 -3.708 3.288 -1.842 117 H ARG 16 H ARG 16 -1.395 4.039 -3.766 118 HA ARG 16 HA ARG 16 -1.958 1.963 -5.768 119 HB2 ARG 16 HB2 ARG 16 -0.062 4.316 -5.880 120 HB3 ARG 16 HB1 ARG 16 -0.087 3.024 -7.074 121 HG2 ARG 16 HG2 ARG 16 -2.331 4.934 -6.451 122 HG3 ARG 16 HG1 ARG 16 -1.318 4.925 -7.897 123 HD2 ARG 16 HD2 ARG 16 -2.183 2.736 -8.511 124 HD3 ARG 16 HD1 ARG 16 -3.149 2.685 -7.039 125 HE ARG 16 HE ARG 16 -4.720 3.956 -8.077 126 HH11 ARG 16 HH11 ARG 16 -1.726 4.277 -9.864 127 HH12 ARG 16 HH12 ARG 16 -2.425 5.242 -11.120 128 HH21 ARG 16 HH21 ARG 16 -5.652 5.225 -9.737 129 HH22 ARG 16 HH22 ARG 16 -4.665 5.783 -11.047 130 H VAL 17 H VAL 17 -0.595 0.276 -5.952 131 HA VAL 17 HA VAL 17 0.902 -0.513 -3.724 132 HB VAL 17 HB VAL 17 1.719 -2.384 -5.162 133 HG11 VAL 17 HG11 VAL 17 -0.148 -3.348 -4.452 134 HG12 VAL 17 HG21 VAL 17 -1.004 -2.694 -5.849 135 HG13 VAL 17 3HG1 VAL 17 -0.942 -1.778 -4.344 136 HG21 VAL 17 HG12 VAL 17 1.807 -1.157 -7.291 137 HG22 VAL 17 HG22 VAL 17 0.047 -1.062 -7.299 138 HG23 VAL 17 HG23 VAL 17 0.846 -2.629 -7.419 139 H ARG 18 H ARG 18 3.013 -0.548 -3.246 140 HA ARG 18 HA ARG 18 4.910 0.653 -5.147 141 HB2 ARG 18 HB2 ARG 18 4.258 1.520 -2.396 142 HB3 ARG 18 HB1 ARG 18 5.972 1.424 -2.769 143 HG2 ARG 18 HG2 ARG 18 5.284 3.648 -3.188 144 HG3 ARG 18 HG1 ARG 18 5.530 2.883 -4.757 145 HD2 ARG 18 HD2 ARG 18 3.146 2.563 -5.010 146 HD3 ARG 18 HD1 ARG 18 2.860 3.206 -3.395 147 HE ARG 18 HE ARG 18 2.997 5.314 -4.256 148 HH11 ARG 18 HH11 ARG 18 4.403 3.094 -6.567 149 HH12 ARG 18 HH12 ARG 18 4.708 4.320 -7.750 150 HH21 ARG 18 HH21 ARG 18 3.377 6.931 -5.800 151 HH22 ARG 18 HH22 ARG 18 4.122 6.516 -7.313 152 H GLY 19 H GLY 19 4.290 -1.550 -2.500 153 HA2 GLY 19 HA2 GLY 19 6.433 -3.267 -3.346 154 HA3 GLY 19 HA1 GLY 19 6.755 -2.484 -1.805 155 H THR 20 H THR 20 6.710 -4.453 -0.683 156 HA THR 20 HA THR 20 4.006 -5.556 -0.331 157 HB THR 20 HB THR 20 5.284 -7.739 0.262 158 HG1 THR 20 HG1 THR 20 7.273 -7.953 -0.747 159 HG21 THR 20 HG12 THR 20 4.815 -6.678 -2.509 160 HG22 THR 20 HG22 THR 20 3.841 -7.821 -1.582 161 HG23 THR 20 HG23 THR 20 5.400 -8.320 -2.239 162 H CYS 21 H CYS 21 3.378 -6.042 1.742 163 HA CYS 21 HA CYS 21 5.008 -4.889 3.870 164 HB2 CYS 21 HB2 CYS 21 2.527 -4.414 3.601 165 HB3 CYS 21 HB1 CYS 21 2.243 -6.066 4.128 166 H GLY 22 H GLY 22 6.073 -7.210 2.782 167 HA2 GLY 22 HA2 GLY 22 7.201 -8.932 4.017 168 HA3 GLY 22 HA1 GLY 22 5.779 -9.065 5.044 169 H ILE 23 H ILE 23 5.136 -11.116 4.773 170 HA ILE 23 HA ILE 23 5.161 -12.326 2.144 171 HB ILE 23 HB ILE 23 5.933 -13.720 3.913 172 HG12 ILE 23 HG21 ILE 23 3.149 -14.633 3.154 173 HG13 ILE 23 HG11 ILE 23 4.583 -14.814 2.150 174 HG21 ILE 23 HG12 ILE 23 4.083 -14.412 5.675 175 HG22 ILE 23 HG22 ILE 23 3.496 -12.786 5.323 176 HG23 ILE 23 HG23 ILE 23 5.137 -13.019 5.924 177 HD11 ILE 23 HD11 ILE 23 3.586 -16.592 4.065 178 HD12 ILE 23 HD12 ILE 23 5.071 -15.924 4.743 179 HD13 ILE 23 HD13 ILE 23 5.098 -16.709 3.164 180 H ARG 24 H ARG 24 3.549 -12.198 0.791 181 HA ARG 24 HA ARG 24 1.502 -12.023 -0.149 182 HB2 ARG 24 HB2 ARG 24 0.939 -13.540 2.345 183 HB3 ARG 24 HB1 ARG 24 -0.432 -12.922 1.439 184 HG2 ARG 24 HG2 ARG 24 -0.045 -15.156 0.736 185 HG3 ARG 24 HG1 ARG 24 0.461 -14.093 -0.574 186 HD2 ARG 24 HD2 ARG 24 2.792 -14.343 0.122 187 HD3 ARG 24 HD1 ARG 24 2.287 -15.394 1.445 188 HE ARG 24 HE ARG 24 1.314 -16.443 -0.971 189 HH11 ARG 24 HH11 ARG 24 4.342 -15.979 0.718 190 HH12 ARG 24 HH12 ARG 24 5.127 -17.319 -0.046 191 HH21 ARG 24 HH21 ARG 24 2.340 -18.221 -1.983 192 HH22 ARG 24 HH22 ARG 24 3.984 -18.600 -1.590 193 H PHE 25 H PHE 25 2.470 -9.745 1.486 194 HA PHE 25 HA PHE 25 -0.143 -8.450 1.931 195 HB2 PHE 25 HB2 PHE 25 2.392 -8.279 3.524 196 HB3 PHE 25 HB1 PHE 25 1.319 -6.890 3.460 197 HD1 PHE 25 HD2 PHE 25 0.904 -10.583 3.937 198 HD2 PHE 25 HD1 PHE 25 0.013 -6.653 5.298 199 HE1 PHE 25 HE2 PHE 25 -0.424 -11.527 5.779 200 HE2 PHE 25 HE1 PHE 25 -1.313 -7.588 7.145 201 HZ PHE 25 HZ PHE 25 -1.534 -10.028 7.387 202 H LEU 26 H LEU 26 -0.435 -6.460 0.937 203 HA LEU 26 HA LEU 26 1.720 -5.660 -0.885 204 HB2 LEU 26 HB2 LEU 26 -1.232 -5.040 -0.896 205 HB3 LEU 26 HB1 LEU 26 -0.086 -4.310 -2.001 206 HG LEU 26 HG LEU 26 0.471 -6.710 -2.731 207 HD11 LEU 26 HD11 LEU 26 -1.213 -7.385 -0.661 208 HD12 LEU 26 HD12 LEU 26 -0.689 -8.450 -1.966 209 HD13 LEU 26 HD13 LEU 26 -2.223 -7.590 -2.093 210 HD21 LEU 26 HD21 LEU 26 -0.708 -5.139 -4.140 211 HD22 LEU 26 HD22 LEU 26 -2.223 -5.493 -3.312 212 HD23 LEU 26 HD23 LEU 26 -1.438 -6.738 -4.283 213 H TYR 27 H TYR 27 2.735 -3.759 -0.729 214 HA TYR 27 HA TYR 27 1.937 -1.954 1.451 215 HB2 TYR 27 HB2 TYR 27 4.287 -2.864 1.350 216 HB3 TYR 27 HB1 TYR 27 4.508 -1.982 -0.154 217 HD1 TYR 27 HD1 TYR 27 2.727 -0.746 2.860 218 HD2 TYR 27 HD2 TYR 27 6.237 -0.521 0.471 219 HE1 TYR 27 HE1 TYR 27 3.475 1.203 4.156 220 HE2 TYR 27 HE2 TYR 27 6.993 1.434 1.754 221 HH TYR 27 HH TYR 27 6.356 2.261 4.398 222 H CYS 28 H CYS 28 0.646 -0.334 0.820 223 HA CYS 28 HA CYS 28 0.985 0.730 -1.906 224 HB2 CYS 28 HB2 CYS 28 -1.502 0.986 -0.231 225 HB3 CYS 28 HB1 CYS 28 -1.333 1.180 -1.972 226 H CYS 29 H CYS 29 0.914 2.920 -2.270 227 HA CYS 29 HA CYS 29 1.104 4.654 0.108 228 HB2 CYS 29 HB2 CYS 29 2.600 4.921 -2.514 229 HB3 CYS 29 HB1 CYS 29 2.647 6.089 -1.199 230 HA PRO 30 HA PRO 30 -2.427 6.738 -1.535 231 HB2 PRO 30 HB2 PRO 30 -1.188 9.217 -0.475 232 HB3 PRO 30 HB1 PRO 30 -2.772 8.513 -0.133 233 HG2 PRO 30 HG2 PRO 30 -0.799 8.394 1.659 234 HG3 PRO 30 HG1 PRO 30 -1.929 7.045 1.442 235 HD2 PRO 30 HD2 PRO 30 0.891 7.331 0.491 236 HD3 PRO 30 HD1 PRO 30 0.049 5.896 1.113 237 H ARG 31 H ARG 31 0.703 8.380 -1.964 238 HA ARG 31 HA ARG 31 0.011 8.867 -4.753 239 HB2 ARG 31 HB2 ARG 31 0.612 11.005 -2.739 240 HB3 ARG 31 HB1 ARG 31 1.114 11.227 -4.407 241 HG2 ARG 31 HG2 ARG 31 -0.915 12.248 -4.471 242 HG3 ARG 31 HG1 ARG 31 -1.401 10.607 -4.892 243 HD2 ARG 31 HD2 ARG 31 -2.020 10.188 -2.567 244 HD3 ARG 31 HD1 ARG 31 -1.511 11.818 -2.130 245 HE ARG 31 HE ARG 31 -3.491 12.614 -2.936 246 HH11 ARG 31 HH11 ARG 31 -3.059 9.338 -4.121 247 HH12 ARG 31 HH12 ARG 31 -4.597 9.296 -4.921 248 HH21 ARG 31 HH21 ARG 31 -5.522 12.551 -3.993 249 HH22 ARG 31 HH22 ARG 31 -5.995 11.124 -4.854 250 H ARG 32 H ARG 32 2.571 10.774 -3.784 251 HA ARG 32 HA ARG 32 4.484 9.251 -5.211 252 HB2 ARG 32 HB2 ARG 32 4.863 11.602 -3.346 253 HB3 ARG 32 HB1 ARG 32 6.094 10.958 -4.421 254 HG2 ARG 32 HG2 ARG 32 4.782 11.572 -6.354 255 HG3 ARG 32 HG1 ARG 32 3.465 12.123 -5.316 256 HD2 ARG 32 HD2 ARG 32 4.736 14.027 -6.078 257 HD3 ARG 32 HD1 ARG 32 4.979 13.814 -4.346 258 HE ARG 32 HE ARG 32 7.196 13.491 -4.742 259 HH11 ARG 32 HH11 ARG 32 5.482 13.015 -7.757 260 HH12 ARG 32 HH12 ARG 32 6.921 12.799 -8.695 261 HH21 ARG 32 HH21 ARG 32 9.103 13.209 -5.974 262 HH22 ARG 32 HH22 ARG 32 8.988 12.910 -7.677 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 1.727 14.158 0.287 2 H2 GLY 1 2HT GLY 1 1.503 13.091 -1.013 3 H3 GLY 1 3HT GLY 1 2.839 14.132 -0.988 4 HA2 GLY 1 HA1 GLY 1 2.873 11.569 -0.181 5 HA3 GLY 1 HA2 GLY 1 4.050 12.792 0.288 6 H LEU 2 H LEU 2 2.753 10.401 1.668 7 HA LEU 2 HA LEU 2 2.615 11.586 4.254 8 HB2 LEU 2 HB2 LEU 2 0.358 11.071 4.844 9 HB3 LEU 2 HB1 LEU 2 0.317 12.056 3.397 10 HG LEU 2 HG LEU 2 0.045 9.050 3.322 11 HD11 LEU 2 HD11 LEU 2 -1.773 9.760 4.652 12 HD12 LEU 2 HD12 LEU 2 -2.409 9.565 3.020 13 HD13 LEU 2 HD13 LEU 2 -2.056 11.177 3.641 14 HD21 LEU 2 HD21 LEU 2 0.659 10.465 1.250 15 HD22 LEU 2 HD22 LEU 2 -1.012 11.025 1.329 16 HD23 LEU 2 HD23 LEU 2 -0.665 9.308 1.120 17 H LEU 3 H LEU 3 1.426 9.583 5.679 18 HA LEU 3 HA LEU 3 3.394 7.535 5.527 19 HB2 LEU 3 HB2 LEU 3 0.872 7.711 7.176 20 HB3 LEU 3 HB1 LEU 3 2.129 6.508 7.392 21 HG LEU 3 HG LEU 3 2.471 9.485 7.774 22 HD11 LEU 3 HD11 LEU 3 2.659 8.947 10.141 23 HD12 LEU 3 HD12 LEU 3 2.338 7.248 9.790 24 HD13 LEU 3 HD13 LEU 3 1.087 8.459 9.505 25 HD21 LEU 3 HD21 LEU 3 4.498 7.777 8.924 26 HD22 LEU 3 HD22 LEU 3 4.673 9.170 7.857 27 HD23 LEU 3 HD23 LEU 3 4.396 7.567 7.176 28 H CYS 4 H CYS 4 3.344 5.655 4.517 29 HA CYS 4 HA CYS 4 0.889 4.863 3.131 30 HB2 CYS 4 HB2 CYS 4 3.665 3.746 2.724 31 HB3 CYS 4 HB1 CYS 4 2.278 3.590 1.653 32 H TYR 5 H TYR 5 0.385 2.494 3.107 33 HA TYR 5 HA TYR 5 1.456 1.025 5.381 34 HB2 TYR 5 HB2 TYR 5 -0.968 0.450 6.052 35 HB3 TYR 5 HB1 TYR 5 -0.309 2.004 6.542 36 HD1 TYR 5 HD1 TYR 5 -1.940 0.772 3.391 37 HD2 TYR 5 HD2 TYR 5 -1.950 3.615 6.555 38 HE1 TYR 5 HE1 TYR 5 -3.847 1.915 2.349 39 HE2 TYR 5 HE2 TYR 5 -3.860 4.768 5.519 40 HH TYR 5 HH TYR 5 -4.957 4.002 2.324 41 H CYS 6 H CYS 6 1.173 -1.171 5.365 42 HA CYS 6 HA CYS 6 0.645 -2.242 2.720 43 HB2 CYS 6 HB2 CYS 6 1.658 -4.331 3.695 44 HB3 CYS 6 HB1 CYS 6 2.726 -2.938 3.593 45 H ARG 7 H ARG 7 -1.201 -3.283 2.245 46 HA ARG 7 HA ARG 7 -2.780 -4.417 4.467 47 HB2 ARG 7 HB2 ARG 7 -3.993 -3.062 2.050 48 HB3 ARG 7 HB1 ARG 7 -4.837 -3.663 3.467 49 HG2 ARG 7 HG2 ARG 7 -3.031 -1.266 3.284 50 HG3 ARG 7 HG1 ARG 7 -4.764 -1.296 3.613 51 HD2 ARG 7 HD2 ARG 7 -2.590 -2.388 5.397 52 HD3 ARG 7 HD1 ARG 7 -3.477 -0.889 5.647 53 HE ARG 7 HE ARG 7 -5.389 -2.864 5.519 54 HH11 ARG 7 HH11 ARG 7 -2.557 -2.250 7.470 55 HH12 ARG 7 HH12 ARG 7 -3.219 -2.964 8.904 56 HH21 ARG 7 HH21 ARG 7 -6.281 -3.824 7.419 57 HH22 ARG 7 HH22 ARG 7 -5.342 -3.863 8.873 58 H LYS 8 H LYS 8 -3.765 -6.378 4.046 59 HA LYS 8 HA LYS 8 -2.630 -7.990 2.032 60 HB2 LYS 8 HB2 LYS 8 -3.448 -8.839 4.224 61 HB3 LYS 8 HB1 LYS 8 -5.097 -8.567 3.678 62 HG2 LYS 8 HG2 LYS 8 -4.788 -10.187 1.888 63 HG3 LYS 8 HG1 LYS 8 -3.118 -10.439 2.391 64 HD2 LYS 8 HD2 LYS 8 -4.449 -12.234 3.262 65 HD3 LYS 8 HD1 LYS 8 -3.971 -11.200 4.607 66 HE2 LYS 8 HE2 LYS 8 -6.156 -10.126 4.576 67 HE3 LYS 8 HE1 LYS 8 -6.634 -11.109 3.193 68 HZ1 LYS 8 HZ1 LYS 8 -5.956 -12.132 5.899 69 HZ2 LYS 8 HZ2 LYS 8 -6.390 -13.086 4.571 70 HZ3 LYS 8 HZ3 LYS 8 -7.512 -12.013 5.242 71 H GLY 9 H GLY 9 -5.534 -6.117 2.165 72 HA2 GLY 9 HA2 GLY 9 -6.717 -7.377 -0.151 73 HA3 GLY 9 HA1 GLY 9 -7.344 -5.978 0.706 74 H HIS 10 H HIS 10 -7.756 -5.066 -1.405 75 HA HIS 10 HA HIS 10 -5.503 -4.408 -3.085 76 HB2 HIS 10 HB2 HIS 10 -7.813 -4.900 -3.975 77 HB3 HIS 10 HB1 HIS 10 -8.333 -3.362 -3.299 78 HD1 HIS 10 HD1 HIS 10 -8.891 -3.052 -5.990 79 HD2 HIS 10 HD2 HIS 10 -4.907 -2.870 -4.814 80 HE1 HIS 10 HE1 HIS 10 -7.681 -1.926 -7.884 81 H CYS 11 H CYS 11 -4.676 -3.404 -0.887 82 HA CYS 11 HA CYS 11 -3.930 -1.536 0.185 83 HB2 CYS 11 HB2 CYS 11 -4.969 0.030 -2.175 84 HB3 CYS 11 HB1 CYS 11 -3.647 0.459 -1.096 85 H LYS 12 H LYS 12 -5.057 1.123 -0.027 86 HA LYS 12 HA LYS 12 -7.818 0.972 0.789 87 HB2 LYS 12 HB2 LYS 12 -5.611 1.424 2.771 88 HB3 LYS 12 HB1 LYS 12 -7.140 2.263 2.979 89 HG2 LYS 12 HG2 LYS 12 -6.811 -0.726 2.812 90 HG3 LYS 12 HG1 LYS 12 -6.991 0.201 4.301 91 HD2 LYS 12 HD2 LYS 12 -9.013 0.058 2.063 92 HD3 LYS 12 HD1 LYS 12 -9.110 -0.822 3.588 93 HE2 LYS 12 HE2 LYS 12 -9.079 2.183 3.299 94 HE3 LYS 12 HE1 LYS 12 -10.517 1.201 3.573 95 HZ1 LYS 12 HZ1 LYS 12 -8.311 1.815 5.421 96 HZ2 LYS 12 HZ2 LYS 12 -9.196 0.389 5.627 97 HZ3 LYS 12 HZ3 LYS 12 -9.982 1.884 5.684 98 H ARG 13 H ARG 13 -8.838 2.846 0.409 99 HA ARG 13 HA ARG 13 -9.273 5.008 -0.096 100 HB2 ARG 13 HB2 ARG 13 -7.802 5.737 1.675 101 HB3 ARG 13 HB1 ARG 13 -6.389 5.492 0.658 102 HG2 ARG 13 HG2 ARG 13 -7.044 7.301 -0.780 103 HG3 ARG 13 HG1 ARG 13 -8.572 7.485 0.083 104 HD2 ARG 13 HD2 ARG 13 -5.868 7.818 1.369 105 HD3 ARG 13 HD1 ARG 13 -6.799 9.152 0.689 106 HE ARG 13 HE ARG 13 -8.473 7.837 2.459 107 HH11 ARG 13 HH11 ARG 13 -5.426 9.541 2.619 108 HH12 ARG 13 HH12 ARG 13 -5.690 10.139 4.223 109 HH21 ARG 13 HH21 ARG 13 -8.839 8.624 4.580 110 HH22 ARG 13 HH22 ARG 13 -7.640 9.614 5.343 111 H GLY 14 H GLY 14 -6.400 3.567 -1.498 112 HA2 GLY 14 HA2 GLY 14 -7.313 4.388 -4.123 113 HA3 GLY 14 HA1 GLY 14 -5.762 5.055 -3.631 114 H GLY 15 H GLY 15 -4.563 3.961 -5.176 115 HA2 GLY 15 HA2 GLY 15 -4.052 1.171 -4.511 116 HA3 GLY 15 HA1 GLY 15 -4.605 1.494 -6.149 117 H ARG 16 H ARG 16 -2.420 3.360 -4.088 118 HA ARG 16 HA ARG 16 -0.474 3.408 -6.249 119 HB2 ARG 16 HB2 ARG 16 -1.051 5.489 -4.998 120 HB3 ARG 16 HB1 ARG 16 -0.368 4.768 -3.548 121 HG2 ARG 16 HG2 ARG 16 1.816 4.613 -4.698 122 HG3 ARG 16 HG1 ARG 16 1.107 5.451 -6.082 123 HD2 ARG 16 HD2 ARG 16 0.612 7.376 -4.678 124 HD3 ARG 16 HD1 ARG 16 1.270 6.536 -3.275 125 HE ARG 16 HE ARG 16 3.228 6.643 -5.290 126 HH11 ARG 16 HH11 ARG 16 1.540 8.700 -3.035 127 HH12 ARG 16 HH12 ARG 16 2.804 9.893 -2.952 128 HH21 ARG 16 HH21 ARG 16 4.935 8.192 -5.171 129 HH22 ARG 16 HH22 ARG 16 4.750 9.579 -4.151 130 H VAL 17 H VAL 17 -0.245 1.043 -5.939 131 HA VAL 17 HA VAL 17 0.972 -0.038 -3.626 132 HB VAL 17 HB VAL 17 1.200 -1.191 -6.401 133 HG11 VAL 17 HG11 VAL 17 2.231 -2.064 -4.029 134 HG12 VAL 17 HG21 VAL 17 1.897 -3.080 -5.431 135 HG13 VAL 17 3HG1 VAL 17 0.714 -2.958 -4.128 136 HG21 VAL 17 HG12 VAL 17 -1.100 -0.778 -6.246 137 HG22 VAL 17 HG22 VAL 17 -1.147 -1.183 -4.530 138 HG23 VAL 17 HG23 VAL 17 -0.920 -2.455 -5.729 139 H ARG 18 H ARG 18 3.020 -0.197 -3.027 140 HA ARG 18 HA ARG 18 5.098 0.785 -4.872 141 HB2 ARG 18 HB2 ARG 18 4.813 1.056 -1.888 142 HB3 ARG 18 HB1 ARG 18 6.369 1.247 -2.685 143 HG2 ARG 18 HG2 ARG 18 5.557 3.108 -3.956 144 HG3 ARG 18 HG1 ARG 18 3.918 2.859 -3.350 145 HD2 ARG 18 HD2 ARG 18 5.071 4.694 -2.195 146 HD3 ARG 18 HD1 ARG 18 4.629 3.383 -1.103 147 HE ARG 18 HE ARG 18 7.269 3.023 -2.037 148 HH11 ARG 18 HH11 ARG 18 5.376 5.013 0.131 149 HH12 ARG 18 HH12 ARG 18 6.700 5.342 1.199 150 HH21 ARG 18 HH21 ARG 18 9.033 3.462 -0.630 151 HH22 ARG 18 HH22 ARG 18 8.786 4.466 0.758 152 H GLY 19 H GLY 19 4.006 -1.763 -2.828 153 HA2 GLY 19 HA2 GLY 19 5.668 -3.701 -3.899 154 HA3 GLY 19 HA1 GLY 19 6.502 -3.080 -2.486 155 H THR 20 H THR 20 6.357 -4.876 -1.263 156 HA THR 20 HA THR 20 3.658 -5.586 -0.350 157 HB THR 20 HB THR 20 4.632 -7.929 0.037 158 HG1 THR 20 HG1 THR 20 6.309 -7.629 -2.116 159 HG21 THR 20 HG12 THR 20 3.802 -6.721 -2.547 160 HG22 THR 20 HG22 THR 20 3.027 -7.983 -1.587 161 HG23 THR 20 HG23 THR 20 4.434 -8.368 -2.580 162 H CYS 21 H CYS 21 3.560 -6.395 1.831 163 HA CYS 21 HA CYS 21 5.485 -5.064 3.556 164 HB2 CYS 21 HB2 CYS 21 2.832 -5.231 3.742 165 HB3 CYS 21 HB1 CYS 21 3.235 -6.686 4.644 166 H GLY 22 H GLY 22 6.538 -7.250 2.148 167 HA2 GLY 22 HA2 GLY 22 7.964 -9.000 2.621 168 HA3 GLY 22 HA1 GLY 22 7.520 -8.889 4.304 169 H ILE 23 H ILE 23 5.070 -9.379 4.470 170 HA ILE 23 HA ILE 23 4.751 -12.148 3.687 171 HB ILE 23 HB ILE 23 2.623 -11.973 5.052 172 HG12 ILE 23 HG21 ILE 23 3.830 -9.279 5.731 173 HG13 ILE 23 HG11 ILE 23 2.294 -9.556 4.917 174 HG21 ILE 23 HG12 ILE 23 5.405 -11.733 6.029 175 HG22 ILE 23 HG22 ILE 23 4.230 -13.028 6.251 176 HG23 ILE 23 HG23 ILE 23 4.118 -11.562 7.225 177 HD11 ILE 23 HD11 ILE 23 2.411 -10.921 7.461 178 HD12 ILE 23 HD12 ILE 23 1.225 -9.771 6.845 179 HD13 ILE 23 HD13 ILE 23 2.695 -9.188 7.626 180 H ARG 24 H ARG 24 1.931 -12.224 3.571 181 HA ARG 24 HA ARG 24 1.590 -11.482 0.808 182 HB2 ARG 24 HB2 ARG 24 -0.274 -12.873 2.732 183 HB3 ARG 24 HB1 ARG 24 -0.615 -12.617 1.027 184 HG2 ARG 24 HG2 ARG 24 1.690 -14.218 2.130 185 HG3 ARG 24 HG1 ARG 24 0.190 -14.883 1.483 186 HD2 ARG 24 HD2 ARG 24 1.745 -15.058 -0.272 187 HD3 ARG 24 HD1 ARG 24 0.757 -13.657 -0.675 188 HE ARG 24 HE ARG 24 2.617 -12.349 -0.530 189 HH11 ARG 24 HH11 ARG 24 3.317 -15.398 1.049 190 HH12 ARG 24 HH12 ARG 24 4.965 -14.988 1.394 191 HH21 ARG 24 HH21 ARG 24 4.786 -11.797 -0.053 192 HH22 ARG 24 HH22 ARG 24 5.799 -12.930 0.778 193 H PHE 25 H PHE 25 1.920 -9.171 2.026 194 HA PHE 25 HA PHE 25 -0.760 -7.948 1.998 195 HB2 PHE 25 HB2 PHE 25 1.513 -7.439 3.914 196 HB3 PHE 25 HB1 PHE 25 0.307 -6.203 3.592 197 HD1 PHE 25 HD2 PHE 25 0.190 -9.882 4.261 198 HD2 PHE 25 HD1 PHE 25 -1.184 -5.993 5.294 199 HE1 PHE 25 HE2 PHE 25 -1.275 -10.860 5.979 200 HE2 PHE 25 HE1 PHE 25 -2.646 -6.960 7.020 201 HZ PHE 25 HZ PHE 25 -2.695 -9.399 7.361 202 H LEU 26 H LEU 26 -0.931 -6.163 0.707 203 HA LEU 26 HA LEU 26 1.405 -5.486 -0.893 204 HB2 LEU 26 HB2 LEU 26 -1.493 -4.674 -1.110 205 HB3 LEU 26 HB1 LEU 26 -0.240 -4.081 -2.177 206 HG LEU 26 HG LEU 26 0.188 -6.538 -2.773 207 HD11 LEU 26 HD11 LEU 26 -2.614 -6.903 -1.748 208 HD12 LEU 26 HD12 LEU 26 -1.189 -7.376 -0.823 209 HD13 LEU 26 HD13 LEU 26 -1.512 -8.125 -2.386 210 HD21 LEU 26 HD21 LEU 26 -2.532 -5.674 -3.634 211 HD22 LEU 26 HD22 LEU 26 -1.212 -6.354 -4.583 212 HD23 LEU 26 HD23 LEU 26 -1.135 -4.679 -4.042 213 H TYR 27 H TYR 27 2.571 -3.706 -0.644 214 HA TYR 27 HA TYR 27 1.832 -1.817 1.452 215 HB2 TYR 27 HB2 TYR 27 4.131 -2.733 1.386 216 HB3 TYR 27 HB1 TYR 27 4.356 -2.035 -0.213 217 HD1 TYR 27 HD2 TYR 27 3.020 -0.712 3.028 218 HD2 TYR 27 HD1 TYR 27 5.823 -0.275 -0.142 219 HE1 TYR 27 HE2 TYR 27 3.854 1.360 4.058 220 HE2 TYR 27 HE1 TYR 27 6.665 1.796 0.879 221 HH TYR 27 HH TYR 27 5.795 2.766 4.060 222 H CYS 28 H CYS 28 0.563 -0.162 0.861 223 HA CYS 28 HA CYS 28 1.147 1.194 -1.687 224 HB2 CYS 28 HB2 CYS 28 -1.685 1.019 -0.767 225 HB3 CYS 28 HB1 CYS 28 -1.047 1.190 -2.395 226 H CYS 29 H CYS 29 0.545 3.389 -1.780 227 HA CYS 29 HA CYS 29 0.373 4.673 0.853 228 HB2 CYS 29 HB2 CYS 29 1.078 5.856 -1.845 229 HB3 CYS 29 HB1 CYS 29 1.093 6.721 -0.311 230 HA PRO 30 HA PRO 30 -3.907 5.618 0.386 231 HB2 PRO 30 HB2 PRO 30 -3.162 8.300 1.451 232 HB3 PRO 30 HB1 PRO 30 -4.401 7.170 2.008 233 HG2 PRO 30 HG2 PRO 30 -2.127 7.436 3.353 234 HG3 PRO 30 HG1 PRO 30 -2.866 5.838 3.134 235 HD2 PRO 30 HD2 PRO 30 -0.513 7.048 1.746 236 HD3 PRO 30 HD1 PRO 30 -0.779 5.369 2.263 237 H ARG 31 H ARG 31 -1.677 8.232 -0.560 238 HA ARG 31 HA ARG 31 -3.002 8.495 -3.109 239 HB2 ARG 31 HB2 ARG 31 -3.227 10.596 -0.985 240 HB3 ARG 31 HB1 ARG 31 -3.087 11.096 -2.665 241 HG2 ARG 31 HG2 ARG 31 -5.069 9.737 -3.207 242 HG3 ARG 31 HG1 ARG 31 -5.222 9.321 -1.499 243 HD2 ARG 31 HD2 ARG 31 -5.567 11.642 -0.924 244 HD3 ARG 31 HD1 ARG 31 -5.287 12.129 -2.594 245 HE ARG 31 HE ARG 31 -7.389 10.285 -2.560 246 HH11 ARG 31 HH11 ARG 31 -6.713 13.544 -1.474 247 HH12 ARG 31 HH12 ARG 31 -8.356 14.073 -1.613 248 HH21 ARG 31 HH21 ARG 31 -9.564 10.976 -2.747 249 HH22 ARG 31 HH22 ARG 31 -9.983 12.606 -2.339 250 H ARG 32 H ARG 32 -1.863 11.161 -3.538 251 HA ARG 32 HA ARG 32 0.800 10.331 -4.235 252 HB2 ARG 32 HB2 ARG 32 -0.610 12.982 -4.602 253 HB3 ARG 32 HB1 ARG 32 0.968 12.582 -5.265 254 HG2 ARG 32 HG2 ARG 32 -0.050 10.787 -6.585 255 HG3 ARG 32 HG1 ARG 32 -1.630 11.217 -5.933 256 HD2 ARG 32 HD2 ARG 32 -1.467 12.218 -8.082 257 HD3 ARG 32 HD1 ARG 32 -1.302 13.509 -6.898 258 HE ARG 32 HE ARG 32 0.763 12.485 -8.683 259 HH11 ARG 32 HH11 ARG 32 -0.105 14.682 -6.099 260 HH12 ARG 32 HH12 ARG 32 1.341 15.623 -6.236 261 HH21 ARG 32 HH21 ARG 32 2.672 13.731 -8.877 262 HH22 ARG 32 HH22 ARG 32 2.925 15.081 -7.822 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -0.788 13.154 0.194 2 H2 GLY 1 2HT GLY 1 -2.158 12.723 1.093 3 H3 GLY 1 3HT GLY 1 -1.636 11.737 -0.175 4 HA2 GLY 1 HA1 GLY 1 -0.213 12.220 2.385 5 HA3 GLY 1 HA2 GLY 1 -0.995 10.725 1.884 6 H LEU 2 H LEU 2 1.913 11.883 2.385 7 HA LEU 2 HA LEU 2 3.185 11.069 -0.093 8 HB2 LEU 2 HB2 LEU 2 4.400 12.013 2.504 9 HB3 LEU 2 HB1 LEU 2 5.268 11.761 1.002 10 HG LEU 2 HG LEU 2 3.099 13.819 1.435 11 HD11 LEU 2 HD11 LEU 2 4.829 15.456 1.444 12 HD12 LEU 2 HD12 LEU 2 6.056 14.246 1.071 13 HD13 LEU 2 HD13 LEU 2 5.251 14.229 2.640 14 HD21 LEU 2 HD21 LEU 2 2.941 13.628 -0.802 15 HD22 LEU 2 HD22 LEU 2 4.499 12.816 -0.949 16 HD23 LEU 2 HD23 LEU 2 4.432 14.571 -0.795 17 H LEU 3 H LEU 3 3.081 10.016 3.291 18 HA LEU 3 HA LEU 3 4.758 7.742 2.786 19 HB2 LEU 3 HB2 LEU 3 4.736 8.916 4.960 20 HB3 LEU 3 HB1 LEU 3 3.076 8.407 5.203 21 HG LEU 3 HG LEU 3 3.834 6.041 5.189 22 HD11 LEU 3 HD11 LEU 3 6.004 6.797 3.898 23 HD12 LEU 3 HD12 LEU 3 6.012 5.393 4.966 24 HD13 LEU 3 HD13 LEU 3 6.647 6.938 5.534 25 HD21 LEU 3 HD21 LEU 3 4.411 6.045 7.411 26 HD22 LEU 3 HD22 LEU 3 3.719 7.659 7.244 27 HD23 LEU 3 HD23 LEU 3 5.469 7.446 7.247 28 H CYS 4 H CYS 4 4.180 5.732 2.310 29 HA CYS 4 HA CYS 4 1.377 5.159 1.778 30 HB2 CYS 4 HB2 CYS 4 3.840 3.470 1.279 31 HB3 CYS 4 HB1 CYS 4 2.220 3.112 0.711 32 H TYR 5 H TYR 5 0.565 2.938 2.432 33 HA TYR 5 HA TYR 5 1.776 1.997 4.914 34 HB2 TYR 5 HB2 TYR 5 -0.521 1.714 5.923 35 HB3 TYR 5 HB1 TYR 5 0.077 3.358 5.826 36 HD1 TYR 5 HD1 TYR 5 -1.672 1.259 3.250 37 HD2 TYR 5 HD2 TYR 5 -1.770 4.716 5.723 38 HE1 TYR 5 HE1 TYR 5 -3.786 1.943 2.199 39 HE2 TYR 5 HE2 TYR 5 -3.882 5.412 4.677 40 HH TYR 5 HH TYR 5 -5.551 3.346 2.348 41 H CYS 6 H CYS 6 1.604 -0.162 5.317 42 HA CYS 6 HA CYS 6 0.858 -1.702 2.984 43 HB2 CYS 6 HB2 CYS 6 2.107 -3.494 3.906 44 HB3 CYS 6 HB1 CYS 6 3.053 -2.031 4.110 45 H ARG 7 H ARG 7 -0.942 -2.881 2.820 46 HA ARG 7 HA ARG 7 -2.451 -3.478 5.284 47 HB2 ARG 7 HB2 ARG 7 -3.747 -2.693 2.670 48 HB3 ARG 7 HB1 ARG 7 -4.533 -2.934 4.220 49 HG2 ARG 7 HG2 ARG 7 -2.707 -0.678 3.433 50 HG3 ARG 7 HG1 ARG 7 -4.439 -0.598 3.755 51 HD2 ARG 7 HD2 ARG 7 -2.295 -1.291 5.757 52 HD3 ARG 7 HD1 ARG 7 -3.120 0.257 5.619 53 HE ARG 7 HE ARG 7 -5.184 -1.363 6.012 54 HH11 ARG 7 HH11 ARG 7 -2.067 -1.315 7.585 55 HH12 ARG 7 HH12 ARG 7 -2.691 -1.745 9.145 56 HH21 ARG 7 HH21 ARG 7 -6.034 -1.935 8.081 57 HH22 ARG 7 HH22 ARG 7 -4.955 -2.101 9.425 58 H LYS 8 H LYS 8 -3.713 -5.378 5.216 59 HA LYS 8 HA LYS 8 -2.637 -7.461 3.614 60 HB2 LYS 8 HB2 LYS 8 -3.583 -7.742 5.934 61 HB3 LYS 8 HB1 LYS 8 -5.185 -7.530 5.243 62 HG2 LYS 8 HG2 LYS 8 -4.911 -9.513 3.898 63 HG3 LYS 8 HG1 LYS 8 -3.248 -9.699 4.461 64 HD2 LYS 8 HD2 LYS 8 -4.191 -9.857 6.800 65 HD3 LYS 8 HD1 LYS 8 -5.788 -9.973 6.057 66 HE2 LYS 8 HE2 LYS 8 -4.942 -12.189 6.546 67 HE3 LYS 8 HE1 LYS 8 -5.036 -11.951 4.801 68 HZ1 LYS 8 HZ1 LYS 8 -2.574 -11.743 6.453 69 HZ2 LYS 8 HZ2 LYS 8 -2.654 -11.485 4.783 70 HZ3 LYS 8 HZ3 LYS 8 -2.969 -13.021 5.418 71 H GLY 9 H GLY 9 -3.063 -7.670 1.559 72 HA2 GLY 9 HA2 GLY 9 -4.807 -8.357 -0.058 73 HA3 GLY 9 HA1 GLY 9 -5.780 -7.035 0.583 74 H HIS 10 H HIS 10 -5.562 -6.854 -2.002 75 HA HIS 10 HA HIS 10 -3.168 -5.553 -2.892 76 HB2 HIS 10 HB2 HIS 10 -4.669 -6.935 -4.364 77 HB3 HIS 10 HB1 HIS 10 -5.845 -5.628 -4.295 78 HD1 HIS 10 HD1 HIS 10 -5.304 -5.883 -7.014 79 HD2 HIS 10 HD2 HIS 10 -2.444 -4.043 -4.623 80 HE1 HIS 10 HE1 HIS 10 -3.835 -4.590 -8.593 81 H CYS 11 H CYS 11 -3.311 -3.950 -1.066 82 HA CYS 11 HA CYS 11 -3.397 -1.765 -0.456 83 HB2 CYS 11 HB2 CYS 11 -4.739 -1.212 -3.106 84 HB3 CYS 11 HB1 CYS 11 -3.914 -0.052 -2.072 85 H LYS 12 H LYS 12 -4.794 -0.314 0.578 86 HA LYS 12 HA LYS 12 -7.662 -0.903 0.362 87 HB2 LYS 12 HB2 LYS 12 -6.090 -0.662 2.936 88 HB3 LYS 12 HB1 LYS 12 -7.847 -0.646 2.851 89 HG2 LYS 12 HG2 LYS 12 -6.031 -2.911 2.052 90 HG3 LYS 12 HG1 LYS 12 -7.070 -2.839 3.477 91 HD2 LYS 12 HD2 LYS 12 -9.044 -2.921 2.170 92 HD3 LYS 12 HD1 LYS 12 -8.156 -2.609 0.679 93 HE2 LYS 12 HE2 LYS 12 -8.773 -4.931 0.753 94 HE3 LYS 12 HE1 LYS 12 -7.027 -4.795 0.945 95 HZ1 LYS 12 HZ1 LYS 12 -8.138 -4.730 3.488 96 HZ2 LYS 12 HZ2 LYS 12 -7.206 -5.961 2.796 97 HZ3 LYS 12 HZ3 LYS 12 -8.894 -5.999 2.668 98 H ARG 13 H ARG 13 -8.675 0.861 -0.198 99 HA ARG 13 HA ARG 13 -9.247 3.029 -0.524 100 HB2 ARG 13 HB2 ARG 13 -8.059 3.337 2.240 101 HB3 ARG 13 HB1 ARG 13 -9.027 4.558 1.426 102 HG2 ARG 13 HG2 ARG 13 -9.952 1.805 2.224 103 HG3 ARG 13 HG1 ARG 13 -10.355 3.317 3.037 104 HD2 ARG 13 HD2 ARG 13 -11.053 2.638 0.180 105 HD3 ARG 13 HD1 ARG 13 -12.155 2.511 1.548 106 HE ARG 13 HE ARG 13 -11.452 4.878 0.117 107 HH11 ARG 13 HH11 ARG 13 -12.439 3.696 3.263 108 HH12 ARG 13 HH12 ARG 13 -13.104 5.213 3.769 109 HH21 ARG 13 HH21 ARG 13 -12.325 6.885 0.781 110 HH22 ARG 13 HH22 ARG 13 -13.040 7.031 2.351 111 H GLY 14 H GLY 14 -6.929 2.326 -1.780 112 HA2 GLY 14 HA2 GLY 14 -5.493 4.883 -1.755 113 HA3 GLY 14 HA1 GLY 14 -4.569 3.394 -1.635 114 H GLY 15 H GLY 15 -3.545 3.196 -3.518 115 HA2 GLY 15 HA2 GLY 15 -4.769 2.332 -5.822 116 HA3 GLY 15 HA1 GLY 15 -4.661 4.078 -5.994 117 H ARG 16 H ARG 16 -2.229 4.613 -4.829 118 HA ARG 16 HA ARG 16 -0.475 3.495 -6.850 119 HB2 ARG 16 HB2 ARG 16 1.157 5.232 -5.977 120 HB3 ARG 16 HB1 ARG 16 -0.303 5.838 -6.741 121 HG2 ARG 16 HG2 ARG 16 -1.275 6.243 -4.516 122 HG3 ARG 16 HG1 ARG 16 0.228 5.681 -3.778 123 HD2 ARG 16 HD2 ARG 16 1.439 7.471 -4.995 124 HD3 ARG 16 HD1 ARG 16 -0.104 8.060 -5.608 125 HE ARG 16 HE ARG 16 1.024 8.554 -3.042 126 HH11 ARG 16 HH11 ARG 16 -2.037 8.198 -4.713 127 HH12 ARG 16 HH12 ARG 16 -2.935 9.062 -3.511 128 HH21 ARG 16 HH21 ARG 16 -0.165 9.716 -1.472 129 HH22 ARG 16 HH22 ARG 16 -1.885 9.929 -1.672 130 H VAL 17 H VAL 17 0.181 1.539 -6.317 131 HA VAL 17 HA VAL 17 1.176 0.965 -3.635 132 HB VAL 17 HB VAL 17 -0.242 -0.751 -4.492 133 HG11 VAL 17 HG11 VAL 17 -0.340 -0.436 -6.797 134 HG12 VAL 17 HG21 VAL 17 0.477 -1.990 -6.627 135 HG13 VAL 17 3HG1 VAL 17 1.411 -0.536 -6.981 136 HG21 VAL 17 HG12 VAL 17 1.024 -2.586 -4.038 137 HG22 VAL 17 HG22 VAL 17 2.127 -1.330 -3.475 138 HG23 VAL 17 HG23 VAL 17 2.358 -2.058 -5.065 139 H ARG 18 H ARG 18 3.303 0.415 -3.196 140 HA ARG 18 HA ARG 18 5.191 0.297 -5.381 141 HB2 ARG 18 HB2 ARG 18 6.655 2.064 -4.247 142 HB3 ARG 18 HB1 ARG 18 5.277 2.624 -5.177 143 HG2 ARG 18 HG2 ARG 18 5.265 3.936 -3.252 144 HG3 ARG 18 HG1 ARG 18 4.025 2.717 -2.958 145 HD2 ARG 18 HD2 ARG 18 5.398 3.058 -0.978 146 HD3 ARG 18 HD1 ARG 18 5.609 1.429 -1.615 147 HE ARG 18 HE ARG 18 7.807 1.893 -1.975 148 HH11 ARG 18 HH11 ARG 18 6.103 4.927 -1.553 149 HH12 ARG 18 HH12 ARG 18 7.537 5.894 -1.622 150 HH21 ARG 18 HH21 ARG 18 9.709 3.168 -2.062 151 HH22 ARG 18 HH22 ARG 18 9.595 4.889 -1.910 152 H GLY 19 H GLY 19 4.161 -1.388 -3.107 153 HA2 GLY 19 HA2 GLY 19 6.618 -2.665 -2.536 154 HA3 GLY 19 HA1 GLY 19 6.163 -1.682 -1.155 155 H THR 20 H THR 20 6.252 -3.913 -0.211 156 HA THR 20 HA THR 20 3.544 -5.011 -0.149 157 HB THR 20 HB THR 20 4.647 -7.336 0.049 158 HG1 THR 20 HG1 THR 20 6.618 -7.080 -1.568 159 HG21 THR 20 HG12 THR 20 3.379 -7.244 -1.838 160 HG22 THR 20 HG22 THR 20 4.966 -7.306 -2.605 161 HG23 THR 20 HG23 THR 20 4.140 -5.760 -2.410 162 H CYS 21 H CYS 21 3.135 -6.242 1.840 163 HA CYS 21 HA CYS 21 4.987 -5.465 4.002 164 HB2 CYS 21 HB2 CYS 21 2.576 -4.459 3.870 165 HB3 CYS 21 HB1 CYS 21 2.088 -6.025 4.500 166 H GLY 22 H GLY 22 5.277 -7.813 2.497 167 HA2 GLY 22 HA2 GLY 22 6.031 -9.916 3.357 168 HA3 GLY 22 HA1 GLY 22 4.774 -9.822 4.583 169 H ILE 23 H ILE 23 3.809 -11.777 4.144 170 HA ILE 23 HA ILE 23 3.046 -12.455 1.449 171 HB ILE 23 HB ILE 23 3.771 -14.260 2.840 172 HG12 ILE 23 HG21 ILE 23 0.773 -14.442 2.461 173 HG13 ILE 23 HG11 ILE 23 1.978 -14.744 1.214 174 HG21 ILE 23 HG12 ILE 23 1.554 -13.496 4.733 175 HG22 ILE 23 HG22 ILE 23 3.288 -13.355 5.024 176 HG23 ILE 23 HG23 ILE 23 2.546 -14.948 4.865 177 HD11 ILE 23 HD11 ILE 23 1.715 -16.321 3.762 178 HD12 ILE 23 HD12 ILE 23 2.798 -16.660 2.412 179 HD13 ILE 23 HD13 ILE 23 1.053 -16.799 2.198 180 H ARG 24 H ARG 24 1.249 -11.935 0.483 181 HA ARG 24 HA ARG 24 -0.845 -11.213 0.021 182 HB2 ARG 24 HB2 ARG 24 -1.515 -12.378 2.731 183 HB3 ARG 24 HB1 ARG 24 -2.682 -11.925 1.496 184 HG2 ARG 24 HG2 ARG 24 -0.572 -14.051 1.180 185 HG3 ARG 24 HG1 ARG 24 -2.263 -14.346 1.584 186 HD2 ARG 24 HD2 ARG 24 -1.332 -12.953 -0.922 187 HD3 ARG 24 HD1 ARG 24 -1.704 -14.673 -0.826 188 HE ARG 24 HE ARG 24 -3.903 -13.198 0.122 189 HH11 ARG 24 HH11 ARG 24 -2.217 -13.896 -2.861 190 HH12 ARG 24 HH12 ARG 24 -3.619 -13.693 -3.858 191 HH21 ARG 24 HH21 ARG 24 -5.768 -12.930 -1.188 192 HH22 ARG 24 HH22 ARG 24 -5.644 -13.142 -2.903 193 H PHE 25 H PHE 25 0.950 -9.370 1.166 194 HA PHE 25 HA PHE 25 -0.952 -7.433 2.279 195 HB2 PHE 25 HB2 PHE 25 1.701 -8.241 3.421 196 HB3 PHE 25 HB1 PHE 25 1.171 -6.577 3.580 197 HD1 PHE 25 HD2 PHE 25 -0.009 -10.054 4.253 198 HD2 PHE 25 HD1 PHE 25 -0.029 -5.964 5.423 199 HE1 PHE 25 HE2 PHE 25 -1.230 -10.649 6.302 200 HE2 PHE 25 HE1 PHE 25 -1.241 -6.553 7.480 201 HZ PHE 25 HZ PHE 25 -1.847 -8.899 7.920 202 H LEU 26 H LEU 26 -0.884 -5.575 1.122 203 HA LEU 26 HA LEU 26 1.472 -5.143 -0.595 204 HB2 LEU 26 HB2 LEU 26 -1.431 -4.582 -0.984 205 HB3 LEU 26 HB1 LEU 26 -0.266 -3.543 -1.770 206 HG LEU 26 HG LEU 26 -1.026 -5.243 -3.308 207 HD11 LEU 26 HD11 LEU 26 1.801 -5.743 -2.401 208 HD12 LEU 26 HD12 LEU 26 1.267 -4.502 -3.533 209 HD13 LEU 26 HD13 LEU 26 1.124 -6.207 -3.962 210 HD21 LEU 26 HD21 LEU 26 -0.399 -7.072 -1.056 211 HD22 LEU 26 HD22 LEU 26 -0.125 -7.657 -2.699 212 HD23 LEU 26 HD23 LEU 26 -1.730 -7.108 -2.213 213 H TYR 27 H TYR 27 2.541 -3.260 -0.564 214 HA TYR 27 HA TYR 27 1.815 -1.331 1.531 215 HB2 TYR 27 HB2 TYR 27 4.107 -2.335 1.568 216 HB3 TYR 27 HB1 TYR 27 4.411 -1.625 -0.011 217 HD1 TYR 27 HD2 TYR 27 3.122 -0.435 3.297 218 HD2 TYR 27 HD1 TYR 27 5.758 0.229 0.030 219 HE1 TYR 27 HE2 TYR 27 3.957 1.598 4.392 220 HE2 TYR 27 HE1 TYR 27 6.603 2.265 1.117 221 HH TYR 27 HH TYR 27 5.144 3.503 4.076 222 H CYS 28 H CYS 28 0.415 0.082 0.673 223 HA CYS 28 HA CYS 28 1.186 1.439 -1.828 224 HB2 CYS 28 HB2 CYS 28 -1.703 1.048 -1.196 225 HB3 CYS 28 HB1 CYS 28 -0.904 1.168 -2.760 226 H CYS 29 H CYS 29 0.345 3.587 -2.059 227 HA CYS 29 HA CYS 29 0.065 4.934 0.504 228 HB2 CYS 29 HB2 CYS 29 0.742 5.775 -2.265 229 HB3 CYS 29 HB1 CYS 29 -0.060 6.961 -1.243 230 HA PRO 30 HA PRO 30 -4.318 5.235 0.479 231 HB2 PRO 30 HB2 PRO 30 -4.543 7.770 1.571 232 HB3 PRO 30 HB1 PRO 30 -4.311 6.286 2.497 233 HG2 PRO 30 HG2 PRO 30 -2.301 8.325 1.645 234 HG3 PRO 30 HG1 PRO 30 -2.427 7.445 3.180 235 HD2 PRO 30 HD2 PRO 30 -0.633 6.746 1.322 236 HD3 PRO 30 HD1 PRO 30 -1.470 5.523 2.300 237 H ARG 31 H ARG 31 -6.031 6.214 -0.605 238 HA ARG 31 HA ARG 31 -5.318 7.650 -3.006 239 HB2 ARG 31 HB2 ARG 31 -7.172 5.845 -2.685 240 HB3 ARG 31 HB1 ARG 31 -8.138 7.180 -2.072 241 HG2 ARG 31 HG2 ARG 31 -7.793 8.374 -4.197 242 HG3 ARG 31 HG1 ARG 31 -6.894 6.983 -4.807 243 HD2 ARG 31 HD2 ARG 31 -8.946 5.598 -4.349 244 HD3 ARG 31 HD1 ARG 31 -9.802 7.106 -4.030 245 HE ARG 31 HE ARG 31 -9.897 7.490 -6.278 246 HH11 ARG 31 HH11 ARG 31 -7.545 4.962 -5.677 247 HH12 ARG 31 HH12 ARG 31 -7.252 4.660 -7.359 248 HH21 ARG 31 HH21 ARG 31 -9.503 7.100 -8.501 249 HH22 ARG 31 HH22 ARG 31 -8.365 5.880 -8.969 250 H ARG 32 H ARG 32 -4.475 9.190 -1.112 251 HA ARG 32 HA ARG 32 -5.874 11.640 -1.380 252 HB2 ARG 32 HB2 ARG 32 -6.241 11.960 1.101 253 HB3 ARG 32 HB1 ARG 32 -7.328 10.799 0.348 254 HG2 ARG 32 HG2 ARG 32 -5.897 8.968 1.161 255 HG3 ARG 32 HG1 ARG 32 -4.871 10.153 1.966 256 HD2 ARG 32 HD2 ARG 32 -6.650 10.807 3.420 257 HD3 ARG 32 HD1 ARG 32 -7.815 9.842 2.512 258 HE ARG 32 HE ARG 32 -5.840 8.103 3.378 259 HH11 ARG 32 HH11 ARG 32 -8.208 10.214 4.834 260 HH12 ARG 32 HH12 ARG 32 -8.430 9.221 6.236 261 HH21 ARG 32 HH21 ARG 32 -6.127 6.769 5.212 262 HH22 ARG 32 HH22 ARG 32 -7.237 7.248 6.452 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -3.647 12.249 4.076 2 H2 GLY 1 2HT GLY 1 -4.428 11.988 5.550 3 H3 GLY 1 3HT GLY 1 -4.546 10.834 4.315 4 HA2 GLY 1 HA1 GLY 1 -2.295 11.433 6.114 5 HA3 GLY 1 HA2 GLY 1 -2.964 9.872 5.655 6 H LEU 2 H LEU 2 -0.241 11.462 5.446 7 HA LEU 2 HA LEU 2 0.272 11.012 2.606 8 HB2 LEU 2 HB2 LEU 2 1.778 12.451 4.771 9 HB3 LEU 2 HB1 LEU 2 2.554 12.029 3.259 10 HG LEU 2 HG LEU 2 1.865 14.302 3.108 11 HD11 LEU 2 HD11 LEU 2 1.139 12.409 1.288 12 HD12 LEU 2 HD12 LEU 2 1.068 14.152 1.033 13 HD13 LEU 2 HD13 LEU 2 -0.375 13.277 1.544 14 HD21 LEU 2 HD21 LEU 2 -0.832 14.523 3.184 15 HD22 LEU 2 HD22 LEU 2 0.238 14.897 4.535 16 HD23 LEU 2 HD23 LEU 2 -0.558 13.326 4.449 17 H LEU 3 H LEU 3 1.267 9.905 5.780 18 HA LEU 3 HA LEU 3 3.438 8.312 5.025 19 HB2 LEU 3 HB2 LEU 3 1.528 7.943 7.332 20 HB3 LEU 3 HB1 LEU 3 3.078 7.143 7.167 21 HG LEU 3 HG LEU 3 2.674 10.121 7.455 22 HD11 LEU 3 HD11 LEU 3 3.079 7.934 9.381 23 HD12 LEU 3 HD12 LEU 3 2.348 9.523 9.599 24 HD13 LEU 3 HD13 LEU 3 4.102 9.352 9.607 25 HD21 LEU 3 HD21 LEU 3 4.642 9.548 6.115 26 HD22 LEU 3 HD22 LEU 3 5.207 8.484 7.404 27 HD23 LEU 3 HD23 LEU 3 5.095 10.222 7.681 28 H CYS 4 H CYS 4 3.629 6.340 4.202 29 HA CYS 4 HA CYS 4 1.396 5.063 2.987 30 HB2 CYS 4 HB2 CYS 4 4.160 3.917 3.379 31 HB3 CYS 4 HB1 CYS 4 2.985 3.479 2.145 32 H TYR 5 H TYR 5 0.843 2.750 3.338 33 HA TYR 5 HA TYR 5 1.443 1.733 5.988 34 HB2 TYR 5 HB2 TYR 5 -1.071 1.314 6.355 35 HB3 TYR 5 HB1 TYR 5 -0.428 2.916 6.675 36 HD1 TYR 5 HD2 TYR 5 -1.516 1.293 3.469 37 HD2 TYR 5 HD1 TYR 5 -2.109 4.432 6.277 38 HE1 TYR 5 HE2 TYR 5 -3.234 2.267 2.007 39 HE2 TYR 5 HE1 TYR 5 -3.831 5.413 4.825 40 HH TYR 5 HH TYR 5 -4.892 5.285 2.882 41 H CYS 6 H CYS 6 1.146 -0.388 6.313 42 HA CYS 6 HA CYS 6 1.178 -2.033 3.952 43 HB2 CYS 6 HB2 CYS 6 2.725 -2.508 5.761 44 HB3 CYS 6 HB1 CYS 6 1.395 -2.673 6.900 45 H ARG 7 H ARG 7 -0.592 -3.061 3.132 46 HA ARG 7 HA ARG 7 -2.887 -3.480 4.935 47 HB2 ARG 7 HB2 ARG 7 -3.119 -2.599 2.051 48 HB3 ARG 7 HB1 ARG 7 -4.442 -2.866 3.173 49 HG2 ARG 7 HG2 ARG 7 -2.394 -0.665 3.244 50 HG3 ARG 7 HG1 ARG 7 -4.123 -0.521 2.939 51 HD2 ARG 7 HD2 ARG 7 -2.826 -1.365 5.526 52 HD3 ARG 7 HD1 ARG 7 -3.574 0.195 5.199 53 HE ARG 7 HE ARG 7 -5.529 -1.685 4.728 54 HH11 ARG 7 HH11 ARG 7 -3.499 -0.785 7.421 55 HH12 ARG 7 HH12 ARG 7 -4.677 -1.190 8.627 56 HH21 ARG 7 HH21 ARG 7 -7.103 -2.241 6.318 57 HH22 ARG 7 HH22 ARG 7 -6.733 -2.021 7.995 58 H LYS 8 H LYS 8 -3.662 -5.478 4.924 59 HA LYS 8 HA LYS 8 -2.561 -7.434 3.101 60 HB2 LYS 8 HB2 LYS 8 -2.812 -7.983 5.464 61 HB3 LYS 8 HB1 LYS 8 -4.546 -7.737 5.362 62 HG2 LYS 8 HG2 LYS 8 -4.606 -9.594 3.673 63 HG3 LYS 8 HG1 LYS 8 -2.913 -9.905 4.065 64 HD2 LYS 8 HD2 LYS 8 -4.332 -11.398 5.333 65 HD3 LYS 8 HD1 LYS 8 -3.553 -10.249 6.423 66 HE2 LYS 8 HE2 LYS 8 -5.594 -8.896 6.449 67 HE3 LYS 8 HE1 LYS 8 -6.370 -10.045 5.360 68 HZ1 LYS 8 HZ1 LYS 8 -6.722 -10.197 7.922 69 HZ2 LYS 8 HZ2 LYS 8 -5.250 -11.028 7.886 70 HZ3 LYS 8 HZ3 LYS 8 -6.568 -11.604 6.998 71 H GLY 9 H GLY 9 -3.462 -6.706 1.164 72 HA2 GLY 9 HA2 GLY 9 -5.687 -7.985 0.209 73 HA3 GLY 9 HA1 GLY 9 -6.299 -6.455 0.821 74 H HIS 10 H HIS 10 -6.304 -4.791 -0.525 75 HA HIS 10 HA HIS 10 -4.330 -4.645 -2.668 76 HB2 HIS 10 HB2 HIS 10 -7.315 -4.719 -3.090 77 HB3 HIS 10 HB1 HIS 10 -6.229 -3.980 -4.262 78 HD1 HIS 10 HD1 HIS 10 -4.101 -5.828 -4.827 79 HD2 HIS 10 HD2 HIS 10 -7.870 -7.252 -3.803 80 HE1 HIS 10 HE1 HIS 10 -4.188 -8.184 -5.697 81 H CYS 11 H CYS 11 -4.076 -3.138 -0.575 82 HA CYS 11 HA CYS 11 -3.796 -1.009 0.147 83 HB2 CYS 11 HB2 CYS 11 -4.766 -0.211 -2.604 84 HB3 CYS 11 HB1 CYS 11 -3.868 0.801 -1.479 85 H LYS 12 H LYS 12 -5.169 1.326 -0.354 86 HA LYS 12 HA LYS 12 -8.004 0.968 -0.024 87 HB2 LYS 12 HB2 LYS 12 -6.242 1.808 2.275 88 HB3 LYS 12 HB1 LYS 12 -7.903 2.368 2.160 89 HG2 LYS 12 HG2 LYS 12 -7.031 -0.513 2.278 90 HG3 LYS 12 HG1 LYS 12 -7.693 0.422 3.621 91 HD2 LYS 12 HD2 LYS 12 -9.795 0.684 2.452 92 HD3 LYS 12 HD1 LYS 12 -9.137 -0.114 1.023 93 HE2 LYS 12 HE2 LYS 12 -8.816 -2.166 2.373 94 HE3 LYS 12 HE1 LYS 12 -9.590 -1.356 3.733 95 HZ1 LYS 12 HZ1 LYS 12 -10.893 -1.787 1.102 96 HZ2 LYS 12 HZ2 LYS 12 -11.620 -1.202 2.512 97 HZ3 LYS 12 HZ3 LYS 12 -11.095 -2.808 2.436 98 H ARG 13 H ARG 13 -9.113 2.905 -0.406 99 HA ARG 13 HA ARG 13 -9.492 5.029 -1.131 100 HB2 ARG 13 HB2 ARG 13 -6.617 5.510 -0.340 101 HB3 ARG 13 HB1 ARG 13 -7.671 6.755 -0.986 102 HG2 ARG 13 HG2 ARG 13 -8.148 5.219 1.560 103 HG3 ARG 13 HG1 ARG 13 -7.492 6.853 1.452 104 HD2 ARG 13 HD2 ARG 13 -9.647 7.404 0.155 105 HD3 ARG 13 HD1 ARG 13 -10.261 5.888 0.814 106 HE ARG 13 HE ARG 13 -10.533 6.930 2.824 107 HH11 ARG 13 HH11 ARG 13 -8.324 8.831 0.896 108 HH12 ARG 13 HH12 ARG 13 -8.169 10.107 2.072 109 HH21 ARG 13 HH21 ARG 13 -10.337 8.615 4.385 110 HH22 ARG 13 HH22 ARG 13 -9.313 9.972 4.045 111 H GLY 14 H GLY 14 -6.861 3.160 -2.329 112 HA2 GLY 14 HA2 GLY 14 -7.510 3.386 -5.004 113 HA3 GLY 14 HA1 GLY 14 -6.324 4.649 -4.688 114 H GLY 15 H GLY 15 -6.106 2.215 -6.341 115 HA2 GLY 15 HA2 GLY 15 -4.417 0.356 -4.973 116 HA3 GLY 15 HA1 GLY 15 -4.690 0.435 -6.706 117 H ARG 16 H ARG 16 -3.244 2.638 -4.315 118 HA ARG 16 HA ARG 16 -1.077 3.217 -6.168 119 HB2 ARG 16 HB2 ARG 16 -1.721 4.371 -3.446 120 HB3 ARG 16 HB1 ARG 16 -0.425 4.926 -4.496 121 HG2 ARG 16 HG2 ARG 16 -2.083 5.549 -6.193 122 HG3 ARG 16 HG1 ARG 16 -3.372 5.023 -5.110 123 HD2 ARG 16 HD2 ARG 16 -2.679 6.698 -3.469 124 HD3 ARG 16 HD1 ARG 16 -1.377 7.214 -4.538 125 HE ARG 16 HE ARG 16 -2.886 8.451 -5.709 126 HH11 ARG 16 HH11 ARG 16 -4.654 6.119 -3.792 127 HH12 ARG 16 HH12 ARG 16 -6.214 6.699 -4.278 128 HH21 ARG 16 HH21 ARG 16 -4.943 9.229 -6.358 129 HH22 ARG 16 HH22 ARG 16 -6.376 8.472 -5.744 130 H VAL 17 H VAL 17 -0.542 0.846 -5.854 131 HA VAL 17 HA VAL 17 0.601 -0.110 -3.483 132 HB VAL 17 HB VAL 17 1.723 -1.812 -4.938 133 HG11 VAL 17 HG11 VAL 17 -0.935 -1.979 -6.038 134 HG12 VAL 17 HG21 VAL 17 -0.980 -1.467 -4.351 135 HG13 VAL 17 3HG1 VAL 17 -0.169 -2.969 -4.795 136 HG21 VAL 17 HG12 VAL 17 0.349 -0.320 -7.174 137 HG22 VAL 17 HG22 VAL 17 1.184 -1.866 -7.320 138 HG23 VAL 17 HG23 VAL 17 2.091 -0.409 -6.911 139 H ARG 18 H ARG 18 2.529 0.076 -2.585 140 HA ARG 18 HA ARG 18 4.520 1.765 -3.930 141 HB2 ARG 18 HB2 ARG 18 3.657 2.462 -1.681 142 HB3 ARG 18 HB1 ARG 18 4.354 0.996 -1.009 143 HG2 ARG 18 HG2 ARG 18 5.805 2.876 -0.596 144 HG3 ARG 18 HG1 ARG 18 6.583 1.749 -1.711 145 HD2 ARG 18 HD2 ARG 18 5.894 3.168 -3.595 146 HD3 ARG 18 HD1 ARG 18 5.151 4.297 -2.465 147 HE ARG 18 HE ARG 18 7.908 4.118 -3.146 148 HH11 ARG 18 HH11 ARG 18 5.733 4.952 -0.524 149 HH12 ARG 18 HH12 ARG 18 6.901 5.932 0.300 150 HH21 ARG 18 HH21 ARG 18 9.446 5.418 -2.059 151 HH22 ARG 18 HH22 ARG 18 9.012 6.201 -0.576 152 H GLY 19 H GLY 19 3.979 -1.316 -2.371 153 HA2 GLY 19 HA2 GLY 19 5.859 -2.732 -3.841 154 HA3 GLY 19 HA1 GLY 19 6.662 -2.225 -2.359 155 H THR 20 H THR 20 6.759 -4.650 -2.129 156 HA THR 20 HA THR 20 4.254 -5.862 -1.291 157 HB THR 20 HB THR 20 5.871 -7.857 -0.860 158 HG1 THR 20 HG1 THR 20 7.821 -7.719 -1.909 159 HG21 THR 20 HG12 THR 20 5.815 -8.430 -3.297 160 HG22 THR 20 HG22 THR 20 5.232 -6.796 -3.612 161 HG23 THR 20 HG23 THR 20 4.264 -7.905 -2.643 162 H CYS 21 H CYS 21 3.753 -6.428 0.778 163 HA CYS 21 HA CYS 21 5.554 -5.403 2.869 164 HB2 CYS 21 HB2 CYS 21 3.300 -4.370 2.751 165 HB3 CYS 21 HB1 CYS 21 2.585 -5.954 3.033 166 H GLY 22 H GLY 22 6.259 -7.787 1.805 167 HA2 GLY 22 HA2 GLY 22 7.040 -9.765 2.819 168 HA3 GLY 22 HA1 GLY 22 5.785 -9.604 4.041 169 H ILE 23 H ILE 23 4.715 -11.507 3.896 170 HA ILE 23 HA ILE 23 3.926 -12.431 1.236 171 HB ILE 23 HB ILE 23 3.311 -14.563 2.286 172 HG12 ILE 23 HG21 ILE 23 2.850 -13.558 4.584 173 HG13 ILE 23 HG11 ILE 23 3.699 -15.096 4.560 174 HG21 ILE 23 HG12 ILE 23 5.371 -14.958 1.544 175 HG22 ILE 23 HG22 ILE 23 5.854 -14.864 3.238 176 HG23 ILE 23 HG23 ILE 23 5.999 -13.446 2.199 177 HD11 ILE 23 HD11 ILE 23 4.539 -12.501 5.580 178 HD12 ILE 23 HD12 ILE 23 5.758 -13.298 4.585 179 HD13 ILE 23 HD13 ILE 23 5.094 -14.123 5.996 180 H ARG 24 H ARG 24 1.967 -12.234 0.507 181 HA ARG 24 HA ARG 24 -0.238 -11.792 0.298 182 HB2 ARG 24 HB2 ARG 24 -0.403 -12.890 3.107 183 HB3 ARG 24 HB1 ARG 24 -1.768 -12.642 2.026 184 HG2 ARG 24 HG2 ARG 24 -0.731 -14.244 0.439 185 HG3 ARG 24 HG1 ARG 24 0.517 -14.562 1.645 186 HD2 ARG 24 HD2 ARG 24 -1.165 -16.272 1.796 187 HD3 ARG 24 HD1 ARG 24 -1.257 -15.252 3.230 188 HE ARG 24 HE ARG 24 -3.046 -14.239 1.345 189 HH11 ARG 24 HH11 ARG 24 -2.632 -17.106 3.300 190 HH12 ARG 24 HH12 ARG 24 -4.326 -17.456 3.386 191 HH21 ARG 24 HH21 ARG 24 -5.289 -14.688 1.447 192 HH22 ARG 24 HH22 ARG 24 -5.844 -16.076 2.324 193 H PHE 25 H PHE 25 1.549 -9.732 1.469 194 HA PHE 25 HA PHE 25 -0.572 -7.977 2.474 195 HB2 PHE 25 HB2 PHE 25 2.132 -8.432 3.710 196 HB3 PHE 25 HB1 PHE 25 1.332 -6.877 3.875 197 HD1 PHE 25 HD1 PHE 25 0.599 -10.511 4.362 198 HD2 PHE 25 HD2 PHE 25 0.059 -6.521 5.733 199 HE1 PHE 25 HE1 PHE 25 -0.634 -11.353 6.314 200 HE2 PHE 25 HE2 PHE 25 -1.175 -7.355 7.689 201 HZ PHE 25 HZ PHE 25 -1.525 -9.775 7.981 202 H LEU 26 H LEU 26 -0.544 -5.963 1.562 203 HA LEU 26 HA LEU 26 1.674 -5.433 -0.300 204 HB2 LEU 26 HB2 LEU 26 -1.259 -4.835 -0.501 205 HB3 LEU 26 HB1 LEU 26 -0.091 -3.925 -1.435 206 HG LEU 26 HG LEU 26 0.686 -6.131 -2.407 207 HD11 LEU 26 HD11 LEU 26 -0.143 -7.723 -0.869 208 HD12 LEU 26 HD12 LEU 26 -1.071 -7.934 -2.354 209 HD13 LEU 26 HD13 LEU 26 -1.783 -7.086 -0.983 210 HD21 LEU 26 HD21 LEU 26 -2.137 -5.901 -3.184 211 HD22 LEU 26 HD22 LEU 26 -0.674 -5.784 -4.161 212 HD23 LEU 26 HD23 LEU 26 -1.218 -4.396 -3.217 213 H TYR 27 H TYR 27 2.726 -3.559 -0.200 214 HA TYR 27 HA TYR 27 2.050 -1.729 1.983 215 HB2 TYR 27 HB2 TYR 27 4.385 -2.657 1.714 216 HB3 TYR 27 HB1 TYR 27 4.502 -1.769 0.201 217 HD1 TYR 27 HD2 TYR 27 3.168 -0.782 3.551 218 HD2 TYR 27 HD1 TYR 27 6.041 -0.081 0.493 219 HE1 TYR 27 HE2 TYR 27 3.992 1.180 4.782 220 HE2 TYR 27 HE1 TYR 27 6.874 1.881 1.716 221 HH TYR 27 HH TYR 27 6.447 2.462 4.775 222 H CYS 28 H CYS 28 0.922 0.095 1.491 223 HA CYS 28 HA CYS 28 1.193 1.158 -1.245 224 HB2 CYS 28 HB2 CYS 28 -1.423 1.139 0.247 225 HB3 CYS 28 HB1 CYS 28 -1.140 1.464 -1.460 226 H CYS 29 H CYS 29 0.668 3.403 -1.499 227 HA CYS 29 HA CYS 29 0.924 4.941 1.005 228 HB2 CYS 29 HB2 CYS 29 2.010 5.642 -1.732 229 HB3 CYS 29 HB1 CYS 29 2.153 6.637 -0.287 230 HA PRO 30 HA PRO 30 -2.879 6.743 -0.458 231 HB2 PRO 30 HB2 PRO 30 -3.427 8.200 1.728 232 HB3 PRO 30 HB1 PRO 30 -3.553 6.438 1.731 233 HG2 PRO 30 HG2 PRO 30 -1.444 8.191 2.881 234 HG3 PRO 30 HG1 PRO 30 -2.062 6.640 3.469 235 HD2 PRO 30 HD2 PRO 30 0.303 7.041 2.017 236 HD3 PRO 30 HD1 PRO 30 -0.497 5.485 2.308 237 H ARG 31 H ARG 31 -3.212 9.438 0.999 238 HA ARG 31 HA ARG 31 -1.275 11.248 0.088 239 HB2 ARG 31 HB2 ARG 31 -2.225 10.501 -2.140 240 HB3 ARG 31 HB1 ARG 31 -3.747 11.237 -1.653 241 HG2 ARG 31 HG2 ARG 31 -2.482 12.729 -3.091 242 HG3 ARG 31 HG1 ARG 31 -2.638 13.409 -1.467 243 HD2 ARG 31 HD2 ARG 31 -0.381 12.556 -0.934 244 HD3 ARG 31 HD1 ARG 31 -0.232 11.979 -2.593 245 HE ARG 31 HE ARG 31 -0.851 14.707 -2.660 246 HH11 ARG 31 HH11 ARG 31 1.753 12.594 -1.681 247 HH12 ARG 31 HH12 ARG 31 2.995 13.766 -1.969 248 HH21 ARG 31 HH21 ARG 31 0.784 16.274 -3.047 249 HH22 ARG 31 HH22 ARG 31 2.441 15.870 -2.751 250 H ARG 32 H ARG 32 -4.728 10.746 0.629 251 HA ARG 32 HA ARG 32 -4.718 12.851 2.615 252 HB2 ARG 32 HB2 ARG 32 -6.797 13.878 1.623 253 HB3 ARG 32 HB1 ARG 32 -5.315 14.170 0.723 254 HG2 ARG 32 HG2 ARG 32 -5.919 12.526 -0.918 255 HG3 ARG 32 HG1 ARG 32 -7.328 12.042 0.028 256 HD2 ARG 32 HD2 ARG 32 -6.877 14.762 -1.192 257 HD3 ARG 32 HD1 ARG 32 -7.934 13.510 -1.843 258 HE ARG 32 HE ARG 32 -8.701 14.000 0.797 259 HH11 ARG 32 HH11 ARG 32 -8.641 15.660 -2.280 260 HH12 ARG 32 HH12 ARG 32 -10.015 16.651 -1.927 261 HH21 ARG 32 HH21 ARG 32 -10.525 15.306 1.278 262 HH22 ARG 32 HH22 ARG 32 -11.093 16.449 0.106 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 6.541 10.503 -0.984 2 H2 GLY 1 2HT GLY 1 8.071 10.580 -0.258 3 H3 GLY 1 3HT GLY 1 6.732 11.250 0.526 4 HA2 GLY 1 HA1 GLY 1 5.999 8.659 0.096 5 HA3 GLY 1 HA2 GLY 1 7.695 8.568 0.563 6 H LEU 2 H LEU 2 7.730 7.991 2.622 7 HA LEU 2 HA LEU 2 7.586 8.106 4.874 8 HB2 LEU 2 HB2 LEU 2 6.175 10.731 4.398 9 HB3 LEU 2 HB1 LEU 2 6.692 10.137 5.964 10 HG LEU 2 HG LEU 2 8.532 10.797 3.661 11 HD11 LEU 2 HD11 LEU 2 9.137 12.758 4.848 12 HD12 LEU 2 HD12 LEU 2 8.189 12.278 6.256 13 HD13 LEU 2 HD13 LEU 2 7.375 12.738 4.761 14 HD21 LEU 2 HD21 LEU 2 10.286 10.602 5.441 15 HD22 LEU 2 HD22 LEU 2 9.524 9.079 4.982 16 HD23 LEU 2 HD23 LEU 2 9.058 9.882 6.482 17 H LEU 3 H LEU 3 4.495 9.432 3.651 18 HA LEU 3 HA LEU 3 2.989 7.958 5.593 19 HB2 LEU 3 HB2 LEU 3 2.167 9.541 3.160 20 HB3 LEU 3 HB1 LEU 3 1.015 8.720 4.192 21 HG LEU 3 HG LEU 3 1.993 10.130 6.106 22 HD11 LEU 3 HD11 LEU 3 3.460 11.769 5.719 23 HD12 LEU 3 HD12 LEU 3 2.681 12.240 4.208 24 HD13 LEU 3 HD13 LEU 3 3.821 10.894 4.231 25 HD21 LEU 3 HD21 LEU 3 0.595 11.768 4.029 26 HD22 LEU 3 HD22 LEU 3 0.372 11.758 5.778 27 HD23 LEU 3 HD23 LEU 3 -0.214 10.407 4.806 28 H CYS 4 H CYS 4 2.839 5.837 5.465 29 HA CYS 4 HA CYS 4 1.890 4.585 3.022 30 HB2 CYS 4 HB2 CYS 4 4.448 3.719 4.390 31 HB3 CYS 4 HB1 CYS 4 3.632 2.820 3.122 32 H TYR 5 H TYR 5 1.401 2.211 3.467 33 HA TYR 5 HA TYR 5 1.090 1.493 6.234 34 HB2 TYR 5 HB2 TYR 5 -1.392 1.106 6.025 35 HB3 TYR 5 HB1 TYR 5 -0.881 2.780 6.163 36 HD1 TYR 5 HD1 TYR 5 -1.826 0.237 3.591 37 HD2 TYR 5 HD2 TYR 5 -1.722 4.348 4.677 38 HE1 TYR 5 HE1 TYR 5 -3.159 0.791 1.605 39 HE2 TYR 5 HE2 TYR 5 -3.050 4.910 2.687 40 HH TYR 5 HH TYR 5 -3.788 4.116 0.679 41 H CYS 6 H CYS 6 1.134 -0.554 6.593 42 HA CYS 6 HA CYS 6 1.397 -2.361 4.330 43 HB2 CYS 6 HB2 CYS 6 3.145 -2.493 5.980 44 HB3 CYS 6 HB1 CYS 6 1.970 -2.641 7.279 45 H ARG 7 H ARG 7 -0.314 -3.557 3.707 46 HA ARG 7 HA ARG 7 -2.171 -4.576 5.708 47 HB2 ARG 7 HB2 ARG 7 -2.985 -2.705 3.489 48 HB3 ARG 7 HB1 ARG 7 -4.126 -3.754 4.318 49 HG2 ARG 7 HG2 ARG 7 -4.019 -2.560 6.270 50 HG3 ARG 7 HG1 ARG 7 -2.407 -1.933 5.926 51 HD2 ARG 7 HD2 ARG 7 -4.040 -0.157 5.760 52 HD3 ARG 7 HD1 ARG 7 -3.350 -0.501 4.178 53 HE ARG 7 HE ARG 7 -6.087 -1.026 5.034 54 HH11 ARG 7 HH11 ARG 7 -3.643 -1.279 2.535 55 HH12 ARG 7 HH12 ARG 7 -4.771 -1.703 1.289 56 HH21 ARG 7 HH21 ARG 7 -7.583 -1.571 3.370 57 HH22 ARG 7 HH22 ARG 7 -7.004 -1.839 1.756 58 H LYS 8 H LYS 8 -3.174 -6.436 5.121 59 HA LYS 8 HA LYS 8 -2.194 -7.782 2.759 60 HB2 LYS 8 HB2 LYS 8 -2.464 -8.850 5.022 61 HB3 LYS 8 HB1 LYS 8 -4.200 -8.788 4.778 62 HG2 LYS 8 HG2 LYS 8 -3.897 -10.162 2.728 63 HG3 LYS 8 HG1 LYS 8 -2.191 -10.325 3.145 64 HD2 LYS 8 HD2 LYS 8 -3.438 -12.272 3.894 65 HD3 LYS 8 HD1 LYS 8 -2.825 -11.365 5.278 66 HE2 LYS 8 HE2 LYS 8 -5.022 -10.323 5.564 67 HE3 LYS 8 HE1 LYS 8 -5.631 -11.221 4.175 68 HZ1 LYS 8 HZ1 LYS 8 -5.970 -13.007 5.424 69 HZ2 LYS 8 HZ2 LYS 8 -5.690 -12.038 6.781 70 HZ3 LYS 8 HZ3 LYS 8 -4.423 -12.936 6.111 71 H GLY 9 H GLY 9 -3.524 -5.719 1.866 72 HA2 GLY 9 HA2 GLY 9 -5.579 -6.805 0.248 73 HA3 GLY 9 HA1 GLY 9 -6.286 -5.842 1.538 74 H HIS 10 H HIS 10 -6.537 -5.248 -1.188 75 HA HIS 10 HA HIS 10 -4.773 -3.491 -2.330 76 HB2 HIS 10 HB2 HIS 10 -6.527 -2.717 -3.716 77 HB3 HIS 10 HB1 HIS 10 -6.936 -4.380 -3.325 78 HD1 HIS 10 HD1 HIS 10 -8.664 -4.447 -1.056 79 HD2 HIS 10 HD2 HIS 10 -8.656 -1.090 -3.507 80 HE1 HIS 10 HE1 HIS 10 -10.845 -3.285 -0.611 81 H CYS 11 H CYS 11 -4.513 -1.283 -2.396 82 HA CYS 11 HA CYS 11 -4.423 0.076 0.014 83 HB2 CYS 11 HB2 CYS 11 -4.576 1.516 -2.613 84 HB3 CYS 11 HB1 CYS 11 -3.576 1.874 -1.208 85 H LYS 12 H LYS 12 -5.445 2.128 0.584 86 HA LYS 12 HA LYS 12 -8.285 1.899 0.577 87 HB2 LYS 12 HB2 LYS 12 -6.435 4.077 1.556 88 HB3 LYS 12 HB1 LYS 12 -8.178 4.112 1.774 89 HG2 LYS 12 HG2 LYS 12 -6.455 1.870 2.790 90 HG3 LYS 12 HG1 LYS 12 -6.822 3.312 3.738 91 HD2 LYS 12 HD2 LYS 12 -8.876 1.432 2.572 92 HD3 LYS 12 HD1 LYS 12 -8.325 1.415 4.248 93 HE2 LYS 12 HE2 LYS 12 -9.707 3.714 2.861 94 HE3 LYS 12 HE1 LYS 12 -10.454 2.604 4.007 95 HZ1 LYS 12 HZ1 LYS 12 -8.105 4.260 4.722 96 HZ2 LYS 12 HZ2 LYS 12 -9.169 3.452 5.760 97 HZ3 LYS 12 HZ3 LYS 12 -9.692 4.818 4.910 98 H ARG 13 H ARG 13 -9.723 2.740 -0.742 99 HA ARG 13 HA ARG 13 -10.718 3.865 -2.424 100 HB2 ARG 13 HB2 ARG 13 -9.022 5.831 -1.081 101 HB3 ARG 13 HB1 ARG 13 -9.417 6.262 -2.738 102 HG2 ARG 13 HG2 ARG 13 -11.590 5.378 -0.895 103 HG3 ARG 13 HG1 ARG 13 -10.951 7.019 -0.777 104 HD2 ARG 13 HD2 ARG 13 -12.903 6.946 -2.237 105 HD3 ARG 13 HD1 ARG 13 -11.457 7.391 -3.140 106 HE ARG 13 HE ARG 13 -11.616 5.438 -4.340 107 HH11 ARG 13 HH11 ARG 13 -13.931 5.393 -1.712 108 HH12 ARG 13 HH12 ARG 13 -14.686 3.921 -2.226 109 HH21 ARG 13 HH21 ARG 13 -12.603 3.491 -5.024 110 HH22 ARG 13 HH22 ARG 13 -13.928 2.835 -4.119 111 H GLY 14 H GLY 14 -8.251 2.217 -3.063 112 HA2 GLY 14 HA2 GLY 14 -8.274 2.446 -5.788 113 HA3 GLY 14 HA1 GLY 14 -7.023 3.568 -5.277 114 H GLY 15 H GLY 15 -5.224 2.597 -5.938 115 HA2 GLY 15 HA2 GLY 15 -4.343 0.246 -4.530 116 HA3 GLY 15 HA1 GLY 15 -4.599 -0.016 -6.250 117 H ARG 16 H ARG 16 -3.162 2.559 -4.252 118 HA ARG 16 HA ARG 16 -1.043 2.879 -6.210 119 HB2 ARG 16 HB2 ARG 16 -2.215 4.830 -5.079 120 HB3 ARG 16 HB1 ARG 16 -1.363 4.378 -3.607 121 HG2 ARG 16 HG2 ARG 16 0.776 4.735 -4.717 122 HG3 ARG 16 HG1 ARG 16 -0.062 5.158 -6.211 123 HD2 ARG 16 HD2 ARG 16 -0.282 6.638 -3.591 124 HD3 ARG 16 HD1 ARG 16 0.685 7.143 -4.974 125 HE ARG 16 HE ARG 16 -2.101 7.547 -4.602 126 HH11 ARG 16 HH11 ARG 16 0.288 6.931 -7.091 127 HH12 ARG 16 HH12 ARG 16 -0.655 7.644 -8.355 128 HH21 ARG 16 HH21 ARG 16 -3.348 8.492 -6.268 129 HH22 ARG 16 HH22 ARG 16 -2.729 8.538 -7.885 130 H VAL 17 H VAL 17 -0.569 0.542 -5.570 131 HA VAL 17 HA VAL 17 0.788 -0.006 -3.134 132 HB VAL 17 HB VAL 17 1.036 -1.513 -5.745 133 HG11 VAL 17 HG11 VAL 17 1.082 -2.973 -3.208 134 HG12 VAL 17 HG21 VAL 17 2.438 -1.869 -3.440 135 HG13 VAL 17 3HG1 VAL 17 2.114 -3.129 -4.630 136 HG21 VAL 17 HG12 VAL 17 -1.080 -1.641 -3.614 137 HG22 VAL 17 HG22 VAL 17 -0.761 -2.987 -4.710 138 HG23 VAL 17 HG23 VAL 17 -1.281 -1.430 -5.353 139 H ARG 18 H ARG 18 2.876 0.279 -2.598 140 HA ARG 18 HA ARG 18 4.654 1.346 -4.680 141 HB2 ARG 18 HB2 ARG 18 4.777 1.656 -1.676 142 HB3 ARG 18 HB1 ARG 18 5.977 2.288 -2.797 143 HG2 ARG 18 HG2 ARG 18 3.068 3.061 -2.683 144 HG3 ARG 18 HG1 ARG 18 4.434 4.029 -2.125 145 HD2 ARG 18 HD2 ARG 18 4.238 3.074 -4.964 146 HD3 ARG 18 HD1 ARG 18 3.438 4.551 -4.434 147 HE ARG 18 HE ARG 18 6.247 4.165 -4.890 148 HH11 ARG 18 HH11 ARG 18 3.869 6.053 -3.152 149 HH12 ARG 18 HH12 ARG 18 4.915 7.424 -2.944 150 HH21 ARG 18 HH21 ARG 18 7.637 5.993 -4.597 151 HH22 ARG 18 HH22 ARG 18 7.027 7.398 -3.764 152 H GLY 19 H GLY 19 4.162 -1.241 -2.472 153 HA2 GLY 19 HA2 GLY 19 6.170 -2.826 -3.676 154 HA3 GLY 19 HA1 GLY 19 6.745 -2.218 -2.129 155 H THR 20 H THR 20 6.768 -4.664 -1.837 156 HA THR 20 HA THR 20 4.129 -5.640 -1.016 157 HB THR 20 HB THR 20 5.454 -7.865 -0.820 158 HG1 THR 20 HG1 THR 20 7.299 -7.938 -2.132 159 HG21 THR 20 HG12 THR 20 4.658 -8.462 -2.877 160 HG22 THR 20 HG22 THR 20 5.289 -7.014 -3.663 161 HG23 THR 20 HG23 THR 20 3.818 -6.922 -2.695 162 H CYS 21 H CYS 21 3.743 -6.274 1.074 163 HA CYS 21 HA CYS 21 5.822 -5.518 3.012 164 HB2 CYS 21 HB2 CYS 21 3.618 -4.336 3.121 165 HB3 CYS 21 HB1 CYS 21 2.865 -5.879 3.508 166 H GLY 22 H GLY 22 6.270 -7.890 1.834 167 HA2 GLY 22 HA2 GLY 22 7.033 -9.902 2.850 168 HA3 GLY 22 HA1 GLY 22 5.731 -9.764 4.023 169 H ILE 23 H ILE 23 4.646 -11.632 3.757 170 HA ILE 23 HA ILE 23 4.069 -12.597 1.078 171 HB ILE 23 HB ILE 23 3.366 -13.829 3.745 172 HG12 ILE 23 HG21 ILE 23 5.612 -14.505 1.830 173 HG13 ILE 23 HG11 ILE 23 5.812 -13.619 3.337 174 HG21 ILE 23 HG12 ILE 23 2.614 -15.704 2.632 175 HG22 ILE 23 HG22 ILE 23 3.518 -15.327 1.166 176 HG23 ILE 23 HG23 ILE 23 2.061 -14.416 1.562 177 HD11 ILE 23 HD11 ILE 23 5.326 -15.507 4.634 178 HD12 ILE 23 HD12 ILE 23 6.380 -16.091 3.347 179 HD13 ILE 23 HD13 ILE 23 4.642 -16.378 3.262 180 H ARG 24 H ARG 24 2.352 -11.957 0.040 181 HA ARG 24 HA ARG 24 0.244 -11.406 -0.533 182 HB2 ARG 24 HB2 ARG 24 -0.429 -12.597 2.152 183 HB3 ARG 24 HB1 ARG 24 -1.632 -12.087 0.976 184 HG2 ARG 24 HG2 ARG 24 0.459 -14.214 0.549 185 HG3 ARG 24 HG1 ARG 24 -1.251 -14.490 0.887 186 HD2 ARG 24 HD2 ARG 24 -0.185 -13.003 -1.512 187 HD3 ARG 24 HD1 ARG 24 -0.668 -14.697 -1.517 188 HE ARG 24 HE ARG 24 -2.383 -12.404 -1.619 189 HH11 ARG 24 HH11 ARG 24 -2.202 -15.770 -0.671 190 HH12 ARG 24 HH12 ARG 24 -3.914 -16.020 -0.737 191 HH21 ARG 24 HH21 ARG 24 -4.652 -12.725 -1.708 192 HH22 ARG 24 HH22 ARG 24 -5.312 -14.281 -1.330 193 H PHE 25 H PHE 25 1.839 -9.767 1.816 194 HA PHE 25 HA PHE 25 -0.364 -7.933 2.372 195 HB2 PHE 25 HB2 PHE 25 2.383 -8.270 3.532 196 HB3 PHE 25 HB1 PHE 25 1.505 -6.761 3.754 197 HD1 PHE 25 HD2 PHE 25 0.777 -10.423 4.020 198 HD2 PHE 25 HD1 PHE 25 0.413 -6.548 5.735 199 HE1 PHE 25 HE2 PHE 25 -0.408 -11.392 5.945 200 HE2 PHE 25 HE1 PHE 25 -0.770 -7.509 7.666 201 HZ PHE 25 HZ PHE 25 -1.185 -9.933 7.769 202 H LEU 26 H LEU 26 -0.526 -5.942 1.525 203 HA LEU 26 HA LEU 26 1.424 -5.231 -0.545 204 HB2 LEU 26 HB2 LEU 26 -1.422 -4.341 -0.080 205 HB3 LEU 26 HB1 LEU 26 -0.375 -3.618 -1.281 206 HG LEU 26 HG LEU 26 -1.772 -5.132 -2.435 207 HD11 LEU 26 HD11 LEU 26 -0.178 -6.870 -3.247 208 HD12 LEU 26 HD12 LEU 26 0.941 -6.348 -1.989 209 HD13 LEU 26 HD13 LEU 26 0.454 -5.225 -3.258 210 HD21 LEU 26 HD21 LEU 26 -2.436 -7.211 -1.762 211 HD22 LEU 26 HD22 LEU 26 -2.207 -6.438 -0.193 212 HD23 LEU 26 HD23 LEU 26 -0.962 -7.507 -0.840 213 H TYR 27 H TYR 27 2.631 -3.438 -0.422 214 HA TYR 27 HA TYR 27 2.337 -1.780 1.982 215 HB2 TYR 27 HB2 TYR 27 4.545 -2.898 1.519 216 HB3 TYR 27 HB1 TYR 27 4.679 -1.917 0.066 217 HD1 TYR 27 HD1 TYR 27 3.668 -1.143 3.584 218 HD2 TYR 27 HD2 TYR 27 6.305 -0.308 0.352 219 HE1 TYR 27 HE1 TYR 27 4.714 0.646 4.907 220 HE2 TYR 27 HE2 TYR 27 7.358 1.484 1.665 221 HH TYR 27 HH TYR 27 7.032 2.848 3.512 222 H CYS 28 H CYS 28 0.697 -0.446 1.310 223 HA CYS 28 HA CYS 28 1.023 1.044 -1.183 224 HB2 CYS 28 HB2 CYS 28 -1.273 1.009 0.780 225 HB3 CYS 28 HB1 CYS 28 -1.268 1.814 -0.783 226 H CYS 29 H CYS 29 0.981 3.309 -1.279 227 HA CYS 29 HA CYS 29 1.336 4.722 1.274 228 HB2 CYS 29 HB2 CYS 29 3.053 5.170 -1.183 229 HB3 CYS 29 HB1 CYS 29 3.158 6.060 0.332 230 HA PRO 30 HA PRO 30 -1.728 7.173 -0.915 231 HB2 PRO 30 HB2 PRO 30 -2.532 8.652 1.172 232 HB3 PRO 30 HB1 PRO 30 -2.952 6.940 1.040 233 HG2 PRO 30 HG2 PRO 30 -0.811 8.243 2.675 234 HG3 PRO 30 HG1 PRO 30 -1.921 6.935 3.123 235 HD2 PRO 30 HD2 PRO 30 0.680 6.544 2.326 236 HD3 PRO 30 HD1 PRO 30 -0.604 5.331 2.165 237 H ARG 31 H ARG 31 1.201 7.859 -0.724 238 HA ARG 31 HA ARG 31 0.978 10.636 -1.497 239 HB2 ARG 31 HB2 ARG 31 2.629 9.736 0.870 240 HB3 ARG 31 HB1 ARG 31 3.001 11.202 -0.022 241 HG2 ARG 31 HG2 ARG 31 0.392 10.652 1.380 242 HG3 ARG 31 HG1 ARG 31 1.718 11.612 2.038 243 HD2 ARG 31 HD2 ARG 31 1.517 13.114 0.054 244 HD3 ARG 31 HD1 ARG 31 0.082 12.208 -0.425 245 HE ARG 31 HE ARG 31 0.256 14.222 1.588 246 HH11 ARG 31 HH11 ARG 31 -1.486 11.316 0.673 247 HH12 ARG 31 HH12 ARG 31 -2.879 11.708 1.631 248 HH21 ARG 31 HH21 ARG 31 -1.585 14.727 2.849 249 HH22 ARG 31 HH22 ARG 31 -2.933 13.643 2.868 250 H ARG 32 H ARG 32 2.662 11.246 -2.879 251 HA ARG 32 HA ARG 32 3.928 9.150 -4.292 252 HB2 ARG 32 HB2 ARG 32 3.301 11.279 -5.355 253 HB3 ARG 32 HB1 ARG 32 4.468 12.129 -4.352 254 HG2 ARG 32 HG2 ARG 32 5.298 11.776 -6.620 255 HG3 ARG 32 HG1 ARG 32 6.293 10.942 -5.424 256 HD2 ARG 32 HD2 ARG 32 5.201 8.839 -5.941 257 HD3 ARG 32 HD1 ARG 32 4.117 9.652 -7.068 258 HE ARG 32 HE ARG 32 6.768 8.758 -7.583 259 HH11 ARG 32 HH11 ARG 32 4.483 11.279 -8.411 260 HH12 ARG 32 HH12 ARG 32 5.201 11.606 -9.953 261 HH21 ARG 32 HH21 ARG 32 7.723 9.184 -9.620 262 HH22 ARG 32 HH22 ARG 32 7.049 10.408 -10.644 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 8.593 10.385 0.382 2 H2 GLY 1 2HT GLY 1 8.301 9.897 1.981 3 H3 GLY 1 3HT GLY 1 9.177 11.308 1.681 4 HA2 GLY 1 HA1 GLY 1 7.369 12.555 1.439 5 HA3 GLY 1 HA2 GLY 1 6.595 11.328 0.447 6 H LEU 2 H LEU 2 4.682 10.887 1.302 7 HA LEU 2 HA LEU 2 4.113 11.128 4.097 8 HB2 LEU 2 HB2 LEU 2 2.470 9.901 1.879 9 HB3 LEU 2 HB1 LEU 2 1.884 10.307 3.480 10 HG LEU 2 HG LEU 2 2.884 12.302 1.443 11 HD11 LEU 2 HD11 LEU 2 0.360 12.953 1.641 12 HD12 LEU 2 HD12 LEU 2 0.170 11.270 2.137 13 HD13 LEU 2 HD13 LEU 2 0.861 11.652 0.559 14 HD21 LEU 2 HD21 LEU 2 1.268 13.430 3.495 15 HD22 LEU 2 HD22 LEU 2 2.952 13.775 3.099 16 HD23 LEU 2 HD23 LEU 2 2.561 12.497 4.251 17 H LEU 3 H LEU 3 3.230 9.378 5.396 18 HA LEU 3 HA LEU 3 4.924 7.095 5.365 19 HB2 LEU 3 HB2 LEU 3 2.521 7.806 7.041 20 HB3 LEU 3 HB1 LEU 3 3.426 6.323 7.258 21 HG LEU 3 HG LEU 3 5.473 7.817 7.632 22 HD11 LEU 3 HD11 LEU 3 4.365 9.871 6.731 23 HD12 LEU 3 HD12 LEU 3 5.123 10.068 8.311 24 HD13 LEU 3 HD13 LEU 3 3.372 9.897 8.188 25 HD21 LEU 3 HD21 LEU 3 3.224 7.218 9.416 26 HD22 LEU 3 HD22 LEU 3 4.308 8.486 9.987 27 HD23 LEU 3 HD23 LEU 3 4.947 6.887 9.603 28 H CYS 4 H CYS 4 4.565 5.069 4.691 29 HA CYS 4 HA CYS 4 2.308 4.590 2.955 30 HB2 CYS 4 HB2 CYS 4 4.599 2.776 3.725 31 HB3 CYS 4 HB1 CYS 4 3.436 2.472 2.445 32 H TYR 5 H TYR 5 1.152 2.441 3.131 33 HA TYR 5 HA TYR 5 0.858 1.570 5.904 34 HB2 TYR 5 HB2 TYR 5 -1.638 1.524 5.619 35 HB3 TYR 5 HB1 TYR 5 -0.924 3.120 5.750 36 HD1 TYR 5 HD2 TYR 5 -2.542 0.734 3.451 37 HD2 TYR 5 HD1 TYR 5 -1.089 4.699 3.950 38 HE1 TYR 5 HE2 TYR 5 -3.745 1.422 1.422 39 HE2 TYR 5 HE1 TYR 5 -2.296 5.402 1.927 40 HH TYR 5 HH TYR 5 -4.705 3.584 0.487 41 H CYS 6 H CYS 6 0.855 -0.454 6.183 42 HA CYS 6 HA CYS 6 0.893 -2.245 3.913 43 HB2 CYS 6 HB2 CYS 6 2.591 -2.596 5.557 44 HB3 CYS 6 HB1 CYS 6 1.413 -2.599 6.858 45 H ARG 7 H ARG 7 -0.963 -3.077 3.205 46 HA ARG 7 HA ARG 7 -2.970 -3.974 5.152 47 HB2 ARG 7 HB2 ARG 7 -3.698 -2.362 2.695 48 HB3 ARG 7 HB1 ARG 7 -4.813 -3.025 3.873 49 HG2 ARG 7 HG2 ARG 7 -2.822 -0.818 4.339 50 HG3 ARG 7 HG1 ARG 7 -4.568 -0.648 4.182 51 HD2 ARG 7 HD2 ARG 7 -3.052 -2.034 6.382 52 HD3 ARG 7 HD1 ARG 7 -3.983 -0.545 6.503 53 HE ARG 7 HE ARG 7 -5.700 -2.564 5.619 54 HH11 ARG 7 HH11 ARG 7 -3.830 -1.760 8.456 55 HH12 ARG 7 HH12 ARG 7 -4.909 -2.541 9.561 56 HH21 ARG 7 HH21 ARG 7 -7.141 -3.620 7.070 57 HH22 ARG 7 HH22 ARG 7 -6.800 -3.605 8.768 58 H LYS 8 H LYS 8 -4.119 -5.780 4.515 59 HA LYS 8 HA LYS 8 -3.074 -7.156 2.185 60 HB2 LYS 8 HB2 LYS 8 -3.243 -8.375 4.337 61 HB3 LYS 8 HB1 LYS 8 -4.989 -8.160 4.299 62 HG2 LYS 8 HG2 LYS 8 -5.191 -9.522 2.354 63 HG3 LYS 8 HG1 LYS 8 -3.441 -9.584 2.151 64 HD2 LYS 8 HD2 LYS 8 -3.268 -10.778 4.308 65 HD3 LYS 8 HD1 LYS 8 -5.031 -10.778 4.420 66 HE2 LYS 8 HE2 LYS 8 -4.122 -12.905 3.550 67 HE3 LYS 8 HE1 LYS 8 -5.203 -12.101 2.412 68 HZ1 LYS 8 HZ1 LYS 8 -3.553 -11.789 0.946 69 HZ2 LYS 8 HZ2 LYS 8 -2.771 -13.031 1.784 70 HZ3 LYS 8 HZ3 LYS 8 -2.400 -11.415 2.127 71 H GLY 9 H GLY 9 -4.110 -7.115 0.319 72 HA2 GLY 9 HA2 GLY 9 -6.553 -7.679 -0.454 73 HA3 GLY 9 HA1 GLY 9 -6.847 -6.090 0.243 74 H HIS 10 H HIS 10 -6.406 -4.323 -0.919 75 HA HIS 10 HA HIS 10 -4.583 -4.342 -3.128 76 HB2 HIS 10 HB2 HIS 10 -6.225 -3.743 -4.872 77 HB3 HIS 10 HB1 HIS 10 -6.487 -5.367 -4.257 78 HD1 HIS 10 HD1 HIS 10 -8.840 -4.498 -5.615 79 HD2 HIS 10 HD2 HIS 10 -8.156 -3.227 -1.716 80 HE1 HIS 10 HE1 HIS 10 -11.088 -3.807 -4.727 81 H CYS 11 H CYS 11 -4.680 -2.944 -0.773 82 HA CYS 11 HA CYS 11 -4.300 -0.869 0.037 83 HB2 CYS 11 HB2 CYS 11 -4.731 0.041 -2.810 84 HB3 CYS 11 HB1 CYS 11 -4.089 1.037 -1.509 85 H LYS 12 H LYS 12 -5.402 0.921 0.855 86 HA LYS 12 HA LYS 12 -8.305 0.815 0.420 87 HB2 LYS 12 HB2 LYS 12 -6.740 1.934 2.761 88 HB3 LYS 12 HB1 LYS 12 -8.493 1.908 2.627 89 HG2 LYS 12 HG2 LYS 12 -6.757 -0.550 2.661 90 HG3 LYS 12 HG1 LYS 12 -7.559 0.126 4.077 91 HD2 LYS 12 HD2 LYS 12 -9.217 -0.452 1.674 92 HD3 LYS 12 HD1 LYS 12 -8.644 -1.818 2.630 93 HE2 LYS 12 HE2 LYS 12 -10.824 -1.188 3.417 94 HE3 LYS 12 HE1 LYS 12 -9.635 -0.764 4.644 95 HZ1 LYS 12 HZ1 LYS 12 -9.770 1.514 4.028 96 HZ2 LYS 12 HZ2 LYS 12 -11.354 0.957 4.235 97 HZ3 LYS 12 HZ3 LYS 12 -10.731 1.169 2.679 98 H ARG 13 H ARG 13 -9.329 2.531 -0.414 99 HA ARG 13 HA ARG 13 -9.741 4.561 -1.328 100 HB2 ARG 13 HB2 ARG 13 -9.168 5.383 0.952 101 HB3 ARG 13 HB1 ARG 13 -7.498 5.564 0.439 102 HG2 ARG 13 HG2 ARG 13 -8.625 7.700 0.411 103 HG3 ARG 13 HG1 ARG 13 -8.194 7.217 -1.230 104 HD2 ARG 13 HD2 ARG 13 -10.494 6.431 -1.586 105 HD3 ARG 13 HD1 ARG 13 -10.917 6.954 0.045 106 HE ARG 13 HE ARG 13 -9.821 9.131 -1.331 107 HH11 ARG 13 HH11 ARG 13 -12.682 7.122 -1.390 108 HH12 ARG 13 HH12 ARG 13 -13.701 8.359 -2.045 109 HH21 ARG 13 HH21 ARG 13 -11.157 10.775 -2.206 110 HH22 ARG 13 HH22 ARG 13 -12.829 10.444 -2.512 111 H GLY 14 H GLY 14 -8.529 3.048 -3.016 112 HA2 GLY 14 HA2 GLY 14 -7.598 3.630 -5.136 113 HA3 GLY 14 HA1 GLY 14 -6.586 4.815 -4.325 114 H GLY 15 H GLY 15 -6.211 2.306 -6.095 115 HA2 GLY 15 HA2 GLY 15 -4.600 0.546 -4.500 116 HA3 GLY 15 HA1 GLY 15 -4.793 0.496 -6.243 117 H ARG 16 H ARG 16 -3.295 2.553 -3.741 118 HA ARG 16 HA ARG 16 -1.238 3.341 -5.635 119 HB2 ARG 16 HB2 ARG 16 -1.794 4.167 -2.788 120 HB3 ARG 16 HB1 ARG 16 -0.360 4.684 -3.659 121 HG2 ARG 16 HG2 ARG 16 -1.790 6.468 -3.939 122 HG3 ARG 16 HG1 ARG 16 -2.036 5.553 -5.428 123 HD2 ARG 16 HD2 ARG 16 -4.163 6.282 -4.501 124 HD3 ARG 16 HD1 ARG 16 -4.034 4.524 -4.462 125 HE ARG 16 HE ARG 16 -4.137 4.597 -2.181 126 HH11 ARG 16 HH11 ARG 16 -3.487 7.826 -3.365 127 HH12 ARG 16 HH12 ARG 16 -3.555 8.554 -1.797 128 HH21 ARG 16 HH21 ARG 16 -4.183 5.537 -0.108 129 HH22 ARG 16 HH22 ARG 16 -3.957 7.249 0.065 130 H VAL 17 H VAL 17 -0.845 0.820 -5.549 131 HA VAL 17 HA VAL 17 0.717 -0.167 -3.370 132 HB VAL 17 HB VAL 17 0.718 -1.228 -6.199 133 HG11 VAL 17 HG11 VAL 17 2.437 -2.073 -4.598 134 HG12 VAL 17 HG21 VAL 17 1.354 -3.312 -5.232 135 HG13 VAL 17 3HG1 VAL 17 1.122 -2.690 -3.598 136 HG21 VAL 17 HG12 VAL 17 -1.329 -2.091 -5.979 137 HG22 VAL 17 HG22 VAL 17 -1.541 -0.934 -4.665 138 HG23 VAL 17 HG23 VAL 17 -1.036 -2.588 -4.313 139 H ARG 18 H ARG 18 2.839 0.152 -2.970 140 HA ARG 18 HA ARG 18 4.529 1.025 -5.212 141 HB2 ARG 18 HB2 ARG 18 4.152 2.359 -2.577 142 HB3 ARG 18 HB1 ARG 18 5.765 2.355 -3.274 143 HG2 ARG 18 HG2 ARG 18 4.801 4.364 -3.977 144 HG3 ARG 18 HG1 ARG 18 4.697 3.299 -5.377 145 HD2 ARG 18 HD2 ARG 18 2.355 2.771 -4.711 146 HD3 ARG 18 HD1 ARG 18 2.492 3.988 -3.442 147 HE ARG 18 HE ARG 18 2.230 5.618 -5.016 148 HH11 ARG 18 HH11 ARG 18 2.808 2.566 -6.638 149 HH12 ARG 18 HH12 ARG 18 2.656 3.237 -8.230 150 HH21 ARG 18 HH21 ARG 18 2.015 6.506 -7.120 151 HH22 ARG 18 HH22 ARG 18 2.199 5.482 -8.504 152 H GLY 19 H GLY 19 3.980 -1.329 -3.088 153 HA2 GLY 19 HA2 GLY 19 6.425 -2.626 -3.491 154 HA3 GLY 19 HA1 GLY 19 6.483 -1.853 -1.912 155 H THR 20 H THR 20 6.741 -4.370 -1.617 156 HA THR 20 HA THR 20 4.073 -5.515 -1.159 157 HB THR 20 HB THR 20 5.442 -7.687 -0.899 158 HG1 THR 20 HG1 THR 20 7.529 -7.251 -1.013 159 HG21 THR 20 HG12 THR 20 4.633 -6.244 -3.334 160 HG22 THR 20 HG22 THR 20 4.211 -7.866 -2.785 161 HG23 THR 20 HG23 THR 20 5.753 -7.581 -3.592 162 H CYS 21 H CYS 21 3.507 -6.185 0.883 163 HA CYS 21 HA CYS 21 5.383 -5.439 3.016 164 HB2 CYS 21 HB2 CYS 21 3.220 -4.282 3.045 165 HB3 CYS 21 HB1 CYS 21 2.388 -5.832 3.115 166 H GLY 22 H GLY 22 6.506 -7.135 3.753 167 HA2 GLY 22 HA2 GLY 22 6.976 -9.235 4.579 168 HA3 GLY 22 HA1 GLY 22 5.254 -9.408 4.880 169 H ILE 23 H ILE 23 4.555 -11.196 3.984 170 HA ILE 23 HA ILE 23 5.119 -11.670 1.166 171 HB ILE 23 HB ILE 23 6.750 -13.020 2.476 172 HG12 ILE 23 HG21 ILE 23 6.287 -15.194 1.361 173 HG13 ILE 23 HG11 ILE 23 4.676 -14.612 0.953 174 HG21 ILE 23 HG12 ILE 23 5.359 -15.161 3.454 175 HG22 ILE 23 HG22 ILE 23 4.337 -13.799 3.908 176 HG23 ILE 23 HG23 ILE 23 6.025 -13.841 4.413 177 HD11 ILE 23 HD11 ILE 23 6.470 -12.661 0.037 178 HD12 ILE 23 HD12 ILE 23 5.510 -13.788 -0.920 179 HD13 ILE 23 HD13 ILE 23 7.145 -14.223 -0.426 180 H ARG 24 H ARG 24 2.876 -10.597 2.419 181 HA ARG 24 HA ARG 24 0.822 -12.180 1.290 182 HB2 ARG 24 HB2 ARG 24 -0.440 -12.755 3.321 183 HB3 ARG 24 HB1 ARG 24 1.123 -13.558 3.267 184 HG2 ARG 24 HG2 ARG 24 2.024 -11.881 4.814 185 HG3 ARG 24 HG1 ARG 24 0.437 -11.112 4.886 186 HD2 ARG 24 HD2 ARG 24 -0.488 -13.276 5.718 187 HD3 ARG 24 HD1 ARG 24 1.162 -13.892 5.797 188 HE ARG 24 HE ARG 24 1.023 -11.478 7.224 189 HH11 ARG 24 HH11 ARG 24 -0.077 -14.794 7.444 190 HH12 ARG 24 HH12 ARG 24 -0.170 -14.788 9.173 191 HH21 ARG 24 HH21 ARG 24 0.906 -11.461 9.511 192 HH22 ARG 24 HH22 ARG 24 0.392 -12.886 10.353 193 H PHE 25 H PHE 25 1.922 -9.261 2.297 194 HA PHE 25 HA PHE 25 -0.768 -8.085 2.226 195 HB2 PHE 25 HB2 PHE 25 1.483 -7.538 4.125 196 HB3 PHE 25 HB1 PHE 25 0.409 -6.224 3.673 197 HD1 PHE 25 HD1 PHE 25 -0.157 -9.823 4.541 198 HD2 PHE 25 HD2 PHE 25 -1.035 -5.743 5.353 199 HE1 PHE 25 HE1 PHE 25 -1.770 -10.516 6.262 200 HE2 PHE 25 HE2 PHE 25 -2.649 -6.426 7.075 201 HZ PHE 25 HZ PHE 25 -3.021 -8.815 7.526 202 H LEU 26 H LEU 26 -0.786 -5.836 1.461 203 HA LEU 26 HA LEU 26 1.307 -5.419 -0.554 204 HB2 LEU 26 HB2 LEU 26 -1.514 -4.377 -0.336 205 HB3 LEU 26 HB1 LEU 26 -0.362 -3.747 -1.493 206 HG LEU 26 HG LEU 26 -0.170 -6.142 -2.373 207 HD11 LEU 26 HD11 LEU 26 -2.885 -6.587 -1.237 208 HD12 LEU 26 HD12 LEU 26 -1.474 -6.952 -0.241 209 HD13 LEU 26 HD13 LEU 26 -1.685 -7.755 -1.797 210 HD21 LEU 26 HD21 LEU 26 -1.233 -4.612 -3.763 211 HD22 LEU 26 HD22 LEU 26 -2.587 -4.396 -2.652 212 HD23 LEU 26 HD23 LEU 26 -2.430 -5.894 -3.570 213 H TYR 27 H TYR 27 2.592 -3.651 -0.514 214 HA TYR 27 HA TYR 27 2.331 -1.879 1.802 215 HB2 TYR 27 HB2 TYR 27 4.515 -3.098 1.141 216 HB3 TYR 27 HB1 TYR 27 4.632 -1.900 -0.141 217 HD1 TYR 27 HD1 TYR 27 3.586 -1.602 3.432 218 HD2 TYR 27 HD2 TYR 27 6.346 -0.447 0.407 219 HE1 TYR 27 HE1 TYR 27 4.664 -0.060 5.013 220 HE2 TYR 27 HE2 TYR 27 7.431 1.100 1.980 221 HH TYR 27 HH TYR 27 7.652 1.254 4.548 222 H CYS 28 H CYS 28 0.777 -0.462 1.228 223 HA CYS 28 HA CYS 28 0.896 0.846 -1.368 224 HB2 CYS 28 HB2 CYS 28 -1.144 1.246 0.810 225 HB3 CYS 28 HB1 CYS 28 -1.309 1.613 -0.905 226 H CYS 29 H CYS 29 1.306 2.962 -1.696 227 HA CYS 29 HA CYS 29 1.809 4.678 0.638 228 HB2 CYS 29 HB2 CYS 29 3.601 4.570 -1.799 229 HB3 CYS 29 HB1 CYS 29 3.827 5.569 -0.371 230 HA PRO 30 HA PRO 30 -0.987 7.182 -1.838 231 HB2 PRO 30 HB2 PRO 30 -0.163 9.291 0.074 232 HB3 PRO 30 HB1 PRO 30 -1.782 8.698 -0.310 233 HG2 PRO 30 HG2 PRO 30 -0.599 8.104 2.016 234 HG3 PRO 30 HG1 PRO 30 -1.633 6.933 1.177 235 HD2 PRO 30 HD2 PRO 30 1.353 7.062 1.331 236 HD3 PRO 30 HD1 PRO 30 0.280 5.646 1.367 237 H ARG 31 H ARG 31 2.018 8.469 -0.549 238 HA ARG 31 HA ARG 31 3.152 9.122 -3.066 239 HB2 ARG 31 HB2 ARG 31 1.796 11.262 -1.487 240 HB3 ARG 31 HB1 ARG 31 3.371 11.647 -2.162 241 HG2 ARG 31 HG2 ARG 31 2.620 11.426 -4.357 242 HG3 ARG 31 HG1 ARG 31 1.192 10.507 -3.873 243 HD2 ARG 31 HD2 ARG 31 0.648 12.814 -4.538 244 HD3 ARG 31 HD1 ARG 31 0.223 12.476 -2.863 245 HE ARG 31 HE ARG 31 2.805 13.604 -2.981 246 HH11 ARG 31 HH11 ARG 31 -0.561 14.461 -3.383 247 HH12 ARG 31 HH12 ARG 31 -0.337 16.115 -2.921 248 HH21 ARG 31 HH21 ARG 31 3.117 15.794 -2.359 249 HH22 ARG 31 HH22 ARG 31 1.765 16.875 -2.334 250 H ARG 32 H ARG 32 5.267 8.683 -2.670 251 HA ARG 32 HA ARG 32 6.353 9.485 -0.071 252 HB2 ARG 32 HB2 ARG 32 7.561 7.345 0.118 253 HB3 ARG 32 HB1 ARG 32 5.820 7.122 0.138 254 HG2 ARG 32 HG2 ARG 32 6.407 5.429 -1.257 255 HG3 ARG 32 HG1 ARG 32 6.187 6.715 -2.444 256 HD2 ARG 32 HD2 ARG 32 8.603 7.156 -2.397 257 HD3 ARG 32 HD1 ARG 32 8.811 5.854 -1.227 258 HE ARG 32 HE ARG 32 8.600 5.600 -4.043 259 HH11 ARG 32 HH11 ARG 32 7.750 3.973 -1.057 260 HH12 ARG 32 HH12 ARG 32 7.682 2.400 -1.780 261 HH21 ARG 32 HH21 ARG 32 8.514 3.513 -5.000 262 HH22 ARG 32 HH22 ARG 32 8.113 2.136 -4.024 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 5.593 13.138 3.357 2 H2 GLY 1 2HT GLY 1 6.708 13.111 4.630 3 H3 GLY 1 3HT GLY 1 5.722 14.463 4.405 4 HA2 GLY 1 HA1 GLY 1 4.738 13.347 6.181 5 HA3 GLY 1 HA2 GLY 1 3.765 12.936 4.774 6 H LEU 2 H LEU 2 5.170 11.018 3.517 7 HA LEU 2 HA LEU 2 5.570 8.786 3.480 8 HB2 LEU 2 HB2 LEU 2 6.753 9.449 6.167 9 HB3 LEU 2 HB1 LEU 2 6.739 7.810 5.553 10 HG LEU 2 HG LEU 2 8.879 8.664 5.072 11 HD11 LEU 2 HD11 LEU 2 8.996 8.023 2.936 12 HD12 LEU 2 HD12 LEU 2 7.847 9.247 2.396 13 HD13 LEU 2 HD13 LEU 2 7.262 7.739 3.100 14 HD21 LEU 2 HD21 LEU 2 9.224 10.775 3.809 15 HD22 LEU 2 HD22 LEU 2 8.534 11.007 5.415 16 HD23 LEU 2 HD23 LEU 2 7.503 11.113 3.988 17 H LEU 3 H LEU 3 3.009 9.515 4.067 18 HA LEU 3 HA LEU 3 2.025 8.018 6.317 19 HB2 LEU 3 HB2 LEU 3 -0.220 8.643 5.456 20 HB3 LEU 3 HB1 LEU 3 0.831 10.005 5.773 21 HG LEU 3 HG LEU 3 0.569 8.916 2.987 22 HD11 LEU 3 HD11 LEU 3 -1.417 10.464 4.553 23 HD12 LEU 3 HD12 LEU 3 -1.657 9.316 3.236 24 HD13 LEU 3 HD13 LEU 3 -1.125 10.961 2.886 25 HD21 LEU 3 HD21 LEU 3 1.223 11.121 2.340 26 HD22 LEU 3 HD22 LEU 3 2.339 10.586 3.598 27 HD23 LEU 3 HD23 LEU 3 1.046 11.720 3.989 28 H CYS 4 H CYS 4 3.382 6.203 5.070 29 HA CYS 4 HA CYS 4 1.891 4.771 3.072 30 HB2 CYS 4 HB2 CYS 4 4.270 3.916 4.725 31 HB3 CYS 4 HB1 CYS 4 3.622 3.040 3.349 32 H TYR 5 H TYR 5 1.304 2.455 3.414 33 HA TYR 5 HA TYR 5 0.752 1.609 6.096 34 HB2 TYR 5 HB2 TYR 5 -1.739 1.378 5.685 35 HB3 TYR 5 HB1 TYR 5 -1.145 3.001 5.997 36 HD1 TYR 5 HD2 TYR 5 -1.929 0.740 3.121 37 HD2 TYR 5 HD1 TYR 5 -1.870 4.715 4.626 38 HE1 TYR 5 HE2 TYR 5 -3.054 1.520 1.085 39 HE2 TYR 5 HE1 TYR 5 -3.004 5.507 2.592 40 HH TYR 5 HH TYR 5 -4.008 4.909 0.690 41 H CYS 6 H CYS 6 0.552 -0.475 6.322 42 HA CYS 6 HA CYS 6 0.977 -2.129 3.975 43 HB2 CYS 6 HB2 CYS 6 2.392 -2.425 5.961 44 HB3 CYS 6 HB1 CYS 6 0.970 -2.795 6.925 45 H ARG 7 H ARG 7 -0.699 -3.145 3.006 46 HA ARG 7 HA ARG 7 -3.028 -3.890 4.650 47 HB2 ARG 7 HB2 ARG 7 -3.253 -2.636 1.907 48 HB3 ARG 7 HB1 ARG 7 -4.580 -3.135 2.941 49 HG2 ARG 7 HG2 ARG 7 -2.657 -0.875 3.449 50 HG3 ARG 7 HG1 ARG 7 -4.347 -0.735 2.968 51 HD2 ARG 7 HD2 ARG 7 -3.286 -1.846 5.563 52 HD3 ARG 7 HD1 ARG 7 -4.120 -0.312 5.335 53 HE ARG 7 HE ARG 7 -5.869 -2.214 4.413 54 HH11 ARG 7 HH11 ARG 7 -4.194 -1.615 7.419 55 HH12 ARG 7 HH12 ARG 7 -5.456 -2.261 8.414 56 HH21 ARG 7 HH21 ARG 7 -7.555 -3.085 5.720 57 HH22 ARG 7 HH22 ARG 7 -7.374 -3.103 7.442 58 H LYS 8 H LYS 8 -3.766 -5.890 4.272 59 HA LYS 8 HA LYS 8 -2.376 -7.631 2.508 60 HB2 LYS 8 HB2 LYS 8 -3.214 -8.548 4.549 61 HB3 LYS 8 HB1 LYS 8 -4.843 -7.986 4.211 62 HG2 LYS 8 HG2 LYS 8 -5.080 -9.596 2.433 63 HG3 LYS 8 HG1 LYS 8 -3.397 -10.091 2.612 64 HD2 LYS 8 HD2 LYS 8 -5.478 -10.343 4.780 65 HD3 LYS 8 HD1 LYS 8 -5.040 -11.643 3.671 66 HE2 LYS 8 HE2 LYS 8 -2.736 -11.557 4.475 67 HE3 LYS 8 HE1 LYS 8 -3.159 -10.241 5.567 68 HZ1 LYS 8 HZ1 LYS 8 -4.865 -12.501 5.913 69 HZ2 LYS 8 HZ2 LYS 8 -3.934 -11.672 7.055 70 HZ3 LYS 8 HZ3 LYS 8 -3.239 -12.912 6.137 71 H GLY 9 H GLY 9 -5.295 -5.806 2.322 72 HA2 GLY 9 HA2 GLY 9 -6.365 -7.161 0.025 73 HA3 GLY 9 HA1 GLY 9 -6.967 -5.669 0.729 74 H HIS 10 H HIS 10 -6.643 -3.847 -0.367 75 HA HIS 10 HA HIS 10 -4.381 -3.629 -2.196 76 HB2 HIS 10 HB2 HIS 10 -7.268 -3.324 -3.027 77 HB3 HIS 10 HB1 HIS 10 -5.934 -2.646 -3.953 78 HD1 HIS 10 HD1 HIS 10 -3.967 -4.790 -4.258 79 HD2 HIS 10 HD2 HIS 10 -8.039 -5.618 -4.197 80 HE1 HIS 10 HE1 HIS 10 -4.217 -7.006 -5.413 81 H CYS 11 H CYS 11 -3.944 -2.315 -0.195 82 HA CYS 11 HA CYS 11 -3.568 -0.272 0.739 83 HB2 CYS 11 HB2 CYS 11 -4.824 0.891 -1.746 84 HB3 CYS 11 HB1 CYS 11 -3.701 1.682 -0.648 85 H LYS 12 H LYS 12 -5.207 2.089 0.269 86 HA LYS 12 HA LYS 12 -7.767 1.291 1.450 87 HB2 LYS 12 HB2 LYS 12 -5.642 2.927 2.688 88 HB3 LYS 12 HB1 LYS 12 -7.267 3.584 2.816 89 HG2 LYS 12 HG2 LYS 12 -6.465 0.813 3.681 90 HG3 LYS 12 HG1 LYS 12 -6.611 2.208 4.754 91 HD2 LYS 12 HD2 LYS 12 -8.829 1.015 3.086 92 HD3 LYS 12 HD1 LYS 12 -8.622 0.812 4.827 93 HE2 LYS 12 HE2 LYS 12 -8.930 3.193 5.171 94 HE3 LYS 12 HE1 LYS 12 -9.033 3.456 3.430 95 HZ1 LYS 12 HZ1 LYS 12 -11.226 3.362 3.930 96 HZ2 LYS 12 HZ2 LYS 12 -11.015 2.341 5.262 97 HZ3 LYS 12 HZ3 LYS 12 -10.967 1.706 3.694 98 H ARG 13 H ARG 13 -7.432 1.960 -1.183 99 HA ARG 13 HA ARG 13 -9.266 4.102 -1.458 100 HB2 ARG 13 HB2 ARG 13 -7.072 5.335 -1.095 101 HB3 ARG 13 HB1 ARG 13 -6.549 4.677 -2.641 102 HG2 ARG 13 HG2 ARG 13 -8.426 5.786 -3.750 103 HG3 ARG 13 HG1 ARG 13 -8.947 6.448 -2.199 104 HD2 ARG 13 HD2 ARG 13 -6.726 7.572 -2.019 105 HD3 ARG 13 HD1 ARG 13 -6.371 7.024 -3.656 106 HE ARG 13 HE ARG 13 -7.934 9.266 -2.918 107 HH11 ARG 13 HH11 ARG 13 -7.788 6.712 -5.316 108 HH12 ARG 13 HH12 ARG 13 -8.651 7.612 -6.515 109 HH21 ARG 13 HH21 ARG 13 -9.071 10.457 -4.505 110 HH22 ARG 13 HH22 ARG 13 -9.381 9.747 -6.054 111 H GLY 14 H GLY 14 -6.890 1.983 -2.989 112 HA2 GLY 14 HA2 GLY 14 -8.678 0.798 -4.732 113 HA3 GLY 14 HA1 GLY 14 -7.999 2.165 -5.602 114 H GLY 15 H GLY 15 -5.462 2.251 -5.305 115 HA2 GLY 15 HA2 GLY 15 -4.103 -0.229 -5.022 116 HA3 GLY 15 HA1 GLY 15 -4.400 0.119 -6.717 117 H ARG 16 H ARG 16 -3.432 2.120 -3.935 118 HA ARG 16 HA ARG 16 -1.395 3.396 -5.586 119 HB2 ARG 16 HB2 ARG 16 -2.959 4.668 -4.024 120 HB3 ARG 16 HB1 ARG 16 -2.054 3.969 -2.690 121 HG2 ARG 16 HG2 ARG 16 -1.225 6.165 -3.079 122 HG3 ARG 16 HG1 ARG 16 0.002 5.019 -3.621 123 HD2 ARG 16 HD2 ARG 16 -0.774 5.305 -5.934 124 HD3 ARG 16 HD1 ARG 16 -1.972 6.473 -5.379 125 HE ARG 16 HE ARG 16 -0.333 8.056 -5.279 126 HH11 ARG 16 HH11 ARG 16 1.179 4.906 -5.472 127 HH12 ARG 16 HH12 ARG 16 2.784 5.539 -5.562 128 HH21 ARG 16 HH21 ARG 16 1.783 8.902 -5.381 129 HH22 ARG 16 HH22 ARG 16 3.131 7.826 -5.513 130 H VAL 17 H VAL 17 -0.899 0.763 -5.203 131 HA VAL 17 HA VAL 17 0.632 0.061 -2.961 132 HB VAL 17 HB VAL 17 0.946 -1.122 -5.716 133 HG11 VAL 17 HG11 VAL 17 2.509 -1.729 -3.778 134 HG12 VAL 17 HG21 VAL 17 1.743 -3.044 -4.668 135 HG13 VAL 17 3HG1 VAL 17 1.113 -2.561 -3.093 136 HG21 VAL 17 HG12 VAL 17 -1.202 -1.577 -3.660 137 HG22 VAL 17 HG22 VAL 17 -0.822 -2.756 -4.916 138 HG23 VAL 17 HG23 VAL 17 -1.388 -1.147 -5.361 139 H ARG 18 H ARG 18 2.727 0.166 -2.488 140 HA ARG 18 HA ARG 18 4.457 1.689 -4.312 141 HB2 ARG 18 HB2 ARG 18 4.033 2.701 -2.082 142 HB3 ARG 18 HB1 ARG 18 4.723 1.274 -1.325 143 HG2 ARG 18 HG2 ARG 18 6.289 3.161 -1.395 144 HG3 ARG 18 HG1 ARG 18 6.885 1.760 -2.286 145 HD2 ARG 18 HD2 ARG 18 5.374 3.927 -3.694 146 HD3 ARG 18 HD1 ARG 18 7.091 4.128 -3.336 147 HE ARG 18 HE ARG 18 6.666 1.626 -4.577 148 HH11 ARG 18 HH11 ARG 18 6.709 5.046 -5.329 149 HH12 ARG 18 HH12 ARG 18 7.110 4.807 -6.996 150 HH21 ARG 18 HH21 ARG 18 7.189 1.300 -6.762 151 HH22 ARG 18 HH22 ARG 18 7.385 2.661 -7.818 152 H GLY 19 H GLY 19 4.106 -1.203 -2.397 153 HA2 GLY 19 HA2 GLY 19 5.820 -2.739 -4.010 154 HA3 GLY 19 HA1 GLY 19 6.701 -2.240 -2.570 155 H THR 20 H THR 20 6.768 -4.595 -2.170 156 HA THR 20 HA THR 20 4.249 -5.768 -1.309 157 HB THR 20 HB THR 20 5.864 -7.756 -0.810 158 HG1 THR 20 HG1 THR 20 7.799 -7.660 -1.894 159 HG21 THR 20 HG12 THR 20 4.296 -7.047 -2.958 160 HG22 THR 20 HG22 THR 20 5.059 -8.620 -2.718 161 HG23 THR 20 HG23 THR 20 5.853 -7.395 -3.709 162 H CYS 21 H CYS 21 3.747 -6.299 0.768 163 HA CYS 21 HA CYS 21 5.537 -5.231 2.848 164 HB2 CYS 21 HB2 CYS 21 3.288 -4.178 2.672 165 HB3 CYS 21 HB1 CYS 21 2.564 -5.744 3.026 166 H GLY 22 H GLY 22 6.166 -7.686 1.824 167 HA2 GLY 22 HA2 GLY 22 6.933 -9.620 2.948 168 HA3 GLY 22 HA1 GLY 22 5.648 -9.409 4.130 169 H ILE 23 H ILE 23 4.660 -11.368 4.020 170 HA ILE 23 HA ILE 23 3.966 -12.442 1.407 171 HB ILE 23 HB ILE 23 3.210 -14.458 2.592 172 HG12 ILE 23 HG21 ILE 23 2.626 -13.238 4.758 173 HG13 ILE 23 HG11 ILE 23 3.428 -14.792 4.926 174 HG21 ILE 23 HG12 ILE 23 5.385 -14.622 1.835 175 HG22 ILE 23 HG22 ILE 23 5.533 -15.045 3.540 176 HG23 ILE 23 HG23 ILE 23 5.987 -13.432 2.989 177 HD11 ILE 23 HD11 ILE 23 4.623 -12.060 5.300 178 HD12 ILE 23 HD12 ILE 23 5.573 -13.545 5.249 179 HD13 ILE 23 HD13 ILE 23 4.370 -13.311 6.517 180 H ARG 24 H ARG 24 2.091 -12.202 0.502 181 HA ARG 24 HA ARG 24 -0.047 -11.598 0.081 182 HB2 ARG 24 HB2 ARG 24 -0.344 -13.732 1.405 183 HB3 ARG 24 HB1 ARG 24 -0.676 -12.728 2.809 184 HG2 ARG 24 HG2 ARG 24 -2.742 -13.482 1.805 185 HG3 ARG 24 HG1 ARG 24 -2.587 -11.732 1.634 186 HD2 ARG 24 HD2 ARG 24 -1.709 -12.117 -0.673 187 HD3 ARG 24 HD1 ARG 24 -2.088 -13.827 -0.476 188 HE ARG 24 HE ARG 24 -4.368 -12.251 0.078 189 HH11 ARG 24 HH11 ARG 24 -2.405 -13.372 -2.589 190 HH12 ARG 24 HH12 ARG 24 -3.682 -13.260 -3.751 191 HH21 ARG 24 HH21 ARG 24 -6.067 -12.098 -1.451 192 HH22 ARG 24 HH22 ARG 24 -5.775 -12.536 -3.101 193 H PHE 25 H PHE 25 1.469 -9.523 1.008 194 HA PHE 25 HA PHE 25 -0.577 -7.807 2.144 195 HB2 PHE 25 HB2 PHE 25 2.007 -8.446 3.501 196 HB3 PHE 25 HB1 PHE 25 1.431 -6.786 3.564 197 HD1 PHE 25 HD2 PHE 25 -0.556 -6.205 4.797 198 HD2 PHE 25 HD1 PHE 25 0.845 -10.219 4.671 199 HE1 PHE 25 HE2 PHE 25 -2.014 -6.767 6.694 200 HE2 PHE 25 HE1 PHE 25 -0.611 -10.789 6.569 201 HZ PHE 25 HZ PHE 25 -2.044 -9.062 7.583 202 H LEU 26 H LEU 26 -0.531 -5.824 1.247 203 HA LEU 26 HA LEU 26 1.720 -5.242 -0.555 204 HB2 LEU 26 HB2 LEU 26 -1.175 -4.407 -0.665 205 HB3 LEU 26 HB1 LEU 26 0.061 -3.652 -1.647 206 HG LEU 26 HG LEU 26 -1.013 -5.217 -3.042 207 HD11 LEU 26 HD11 LEU 26 1.688 -5.908 -2.096 208 HD12 LEU 26 HD12 LEU 26 1.112 -5.507 -3.713 209 HD13 LEU 26 HD13 LEU 26 0.866 -7.129 -3.068 210 HD21 LEU 26 HD21 LEU 26 -1.510 -6.636 -0.677 211 HD22 LEU 26 HD22 LEU 26 -0.562 -7.713 -1.703 212 HD23 LEU 26 HD23 LEU 26 -2.068 -7.022 -2.305 213 H TYR 27 H TYR 27 2.890 -3.462 -0.255 214 HA TYR 27 HA TYR 27 2.185 -1.731 2.006 215 HB2 TYR 27 HB2 TYR 27 4.481 -2.855 1.788 216 HB3 TYR 27 HB1 TYR 27 4.780 -1.746 0.453 217 HD1 TYR 27 HD2 TYR 27 3.185 -1.242 3.795 218 HD2 TYR 27 HD1 TYR 27 6.344 -0.193 1.145 219 HE1 TYR 27 HE2 TYR 27 3.961 0.451 5.400 220 HE2 TYR 27 HE1 TYR 27 7.131 1.501 2.744 221 HH TYR 27 HH TYR 27 6.659 2.610 4.635 222 H CYS 28 H CYS 28 1.113 0.090 1.483 223 HA CYS 28 HA CYS 28 1.579 1.204 -1.201 224 HB2 CYS 28 HB2 CYS 28 -0.835 1.698 0.530 225 HB3 CYS 28 HB1 CYS 28 -0.636 2.049 -1.186 226 H CYS 29 H CYS 29 1.784 3.406 -1.497 227 HA CYS 29 HA CYS 29 1.992 5.120 0.863 228 HB2 CYS 29 HB2 CYS 29 4.190 4.830 -1.202 229 HB3 CYS 29 HB1 CYS 29 4.145 6.057 0.057 230 HA PRO 30 HA PRO 30 -0.339 7.461 -2.207 231 HB2 PRO 30 HB2 PRO 30 -0.505 9.441 -0.033 232 HB3 PRO 30 HB1 PRO 30 -1.804 8.608 -0.890 233 HG2 PRO 30 HG2 PRO 30 -1.199 8.025 1.661 234 HG3 PRO 30 HG1 PRO 30 -1.745 6.782 0.522 235 HD2 PRO 30 HD2 PRO 30 1.030 7.398 1.468 236 HD3 PRO 30 HD1 PRO 30 0.252 5.821 1.211 237 H ARG 31 H ARG 31 2.017 8.918 -0.006 238 HA ARG 31 HA ARG 31 3.587 10.010 -2.082 239 HB2 ARG 31 HB2 ARG 31 3.311 12.395 -1.625 240 HB3 ARG 31 HB1 ARG 31 1.803 11.699 -2.192 241 HG2 ARG 31 HG2 ARG 31 2.260 11.929 0.741 242 HG3 ARG 31 HG1 ARG 31 1.861 13.378 -0.182 243 HD2 ARG 31 HD2 ARG 31 -0.139 12.209 -1.064 244 HD3 ARG 31 HD1 ARG 31 0.245 10.837 -0.026 245 HE ARG 31 HE ARG 31 -0.716 11.954 1.702 246 HH11 ARG 31 HH11 ARG 31 0.166 14.319 -0.727 247 HH12 ARG 31 HH12 ARG 31 -0.526 15.652 0.133 248 HH21 ARG 31 HH21 ARG 31 -1.634 13.714 2.841 249 HH22 ARG 31 HH22 ARG 31 -1.551 15.307 2.167 250 H ARG 32 H ARG 32 5.459 11.179 -1.201 251 HA ARG 32 HA ARG 32 6.345 9.934 1.218 252 HB2 ARG 32 HB2 ARG 32 8.468 11.157 0.789 253 HB3 ARG 32 HB1 ARG 32 7.930 10.186 -0.574 254 HG2 ARG 32 HG2 ARG 32 7.300 12.062 -1.815 255 HG3 ARG 32 HG1 ARG 32 7.301 13.109 -0.397 256 HD2 ARG 32 HD2 ARG 32 9.230 13.556 -1.820 257 HD3 ARG 32 HD1 ARG 32 9.729 12.934 -0.251 258 HE ARG 32 HE ARG 32 9.959 11.589 -2.829 259 HH11 ARG 32 HH11 ARG 32 10.408 11.478 0.639 260 HH12 ARG 32 HH12 ARG 32 11.431 10.080 0.597 261 HH21 ARG 32 HH21 ARG 32 11.319 9.741 -2.898 262 HH22 ARG 32 HH22 ARG 32 11.952 9.090 -1.423 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 1.958 14.732 3.276 2 H2 GLY 1 2HT GLY 1 0.866 15.517 2.250 3 H3 GLY 1 3HT GLY 1 2.498 15.411 1.824 4 HA2 GLY 1 HA1 GLY 1 0.594 13.746 0.934 5 HA3 GLY 1 HA2 GLY 1 2.310 13.357 1.001 6 H LEU 2 H LEU 2 -0.269 11.770 1.397 7 HA LEU 2 HA LEU 2 -0.291 10.966 4.123 8 HB2 LEU 2 HB2 LEU 2 -1.441 9.716 1.635 9 HB3 LEU 2 HB1 LEU 2 -1.624 9.000 3.222 10 HG LEU 2 HG LEU 2 -3.633 10.158 2.785 11 HD11 LEU 2 HD11 LEU 2 -1.793 11.403 4.732 12 HD12 LEU 2 HD12 LEU 2 -3.346 10.606 4.981 13 HD13 LEU 2 HD13 LEU 2 -3.292 12.264 4.380 14 HD21 LEU 2 HD21 LEU 2 -2.015 12.604 2.087 15 HD22 LEU 2 HD22 LEU 2 -3.773 12.470 2.082 16 HD23 LEU 2 HD23 LEU 2 -2.816 11.542 0.928 17 H LEU 3 H LEU 3 0.578 9.204 5.107 18 HA LEU 3 HA LEU 3 3.030 8.210 4.029 19 HB2 LEU 3 HB2 LEU 3 1.520 7.606 6.567 20 HB3 LEU 3 HB1 LEU 3 3.021 6.803 6.149 21 HG LEU 3 HG LEU 3 3.576 8.525 7.672 22 HD11 LEU 3 HD11 LEU 3 4.417 10.196 5.508 23 HD12 LEU 3 HD12 LEU 3 4.572 8.499 5.054 24 HD13 LEU 3 HD13 LEU 3 5.365 9.098 6.511 25 HD21 LEU 3 HD21 LEU 3 2.968 10.976 6.685 26 HD22 LEU 3 HD22 LEU 3 2.020 10.124 7.905 27 HD23 LEU 3 HD23 LEU 3 1.543 10.053 6.208 28 H CYS 4 H CYS 4 3.570 6.012 3.674 29 HA CYS 4 HA CYS 4 1.585 4.570 2.230 30 HB2 CYS 4 HB2 CYS 4 4.314 3.610 3.092 31 HB3 CYS 4 HB1 CYS 4 3.326 2.958 1.791 32 H TYR 5 H TYR 5 1.077 2.277 2.641 33 HA TYR 5 HA TYR 5 1.311 1.352 5.372 34 HB2 TYR 5 HB2 TYR 5 -1.148 1.079 5.651 35 HB3 TYR 5 HB1 TYR 5 -0.644 2.764 5.585 36 HD1 TYR 5 HD2 TYR 5 -2.255 0.049 3.648 37 HD2 TYR 5 HD1 TYR 5 -1.472 4.224 3.900 38 HE1 TYR 5 HE2 TYR 5 -3.881 0.454 1.853 39 HE2 TYR 5 HE1 TYR 5 -3.102 4.640 2.105 40 HH TYR 5 HH TYR 5 -4.683 3.739 0.796 41 H CYS 6 H CYS 6 1.231 -0.812 5.559 42 HA CYS 6 HA CYS 6 0.780 -2.266 3.063 43 HB2 CYS 6 HB2 CYS 6 2.205 -4.033 4.012 44 HB3 CYS 6 HB1 CYS 6 3.043 -2.492 3.907 45 H ARG 7 H ARG 7 -1.080 -3.366 2.945 46 HA ARG 7 HA ARG 7 -2.069 -4.745 5.325 47 HB2 ARG 7 HB2 ARG 7 -3.567 -2.603 3.847 48 HB3 ARG 7 HB1 ARG 7 -4.445 -3.926 4.597 49 HG2 ARG 7 HG2 ARG 7 -4.521 -2.388 6.276 50 HG3 ARG 7 HG1 ARG 7 -3.035 -3.231 6.709 51 HD2 ARG 7 HD2 ARG 7 -1.732 -1.495 5.562 52 HD3 ARG 7 HD1 ARG 7 -3.223 -0.652 5.154 53 HE ARG 7 HE ARG 7 -3.240 0.233 7.248 54 HH11 ARG 7 HH11 ARG 7 -1.079 -2.535 7.283 55 HH12 ARG 7 HH12 ARG 7 -0.627 -2.309 8.943 56 HH21 ARG 7 HH21 ARG 7 -2.625 0.527 9.432 57 HH22 ARG 7 HH22 ARG 7 -1.502 -0.571 10.161 58 H LYS 8 H LYS 8 -3.467 -6.476 4.887 59 HA LYS 8 HA LYS 8 -2.936 -7.849 2.466 60 HB2 LYS 8 HB2 LYS 8 -3.331 -9.018 4.580 61 HB3 LYS 8 HB1 LYS 8 -4.986 -8.426 4.613 62 HG2 LYS 8 HG2 LYS 8 -5.123 -9.623 2.282 63 HG3 LYS 8 HG1 LYS 8 -3.755 -10.539 2.915 64 HD2 LYS 8 HD2 LYS 8 -5.482 -11.848 3.651 65 HD3 LYS 8 HD1 LYS 8 -5.319 -10.760 5.029 66 HE2 LYS 8 HE2 LYS 8 -7.286 -10.443 2.758 67 HE3 LYS 8 HE1 LYS 8 -7.666 -11.073 4.358 68 HZ1 LYS 8 HZ1 LYS 8 -6.846 -8.863 5.223 69 HZ2 LYS 8 HZ2 LYS 8 -8.308 -8.831 4.374 70 HZ3 LYS 8 HZ3 LYS 8 -6.882 -8.309 3.621 71 H GLY 9 H GLY 9 -3.762 -7.023 0.623 72 HA2 GLY 9 HA2 GLY 9 -6.334 -7.380 -0.198 73 HA3 GLY 9 HA1 GLY 9 -6.355 -5.782 0.531 74 H HIS 10 H HIS 10 -6.062 -4.180 -0.824 75 HA HIS 10 HA HIS 10 -3.991 -4.110 -2.757 76 HB2 HIS 10 HB2 HIS 10 -5.394 -3.912 -4.792 77 HB3 HIS 10 HB1 HIS 10 -5.478 -5.516 -4.080 78 HD1 HIS 10 HD1 HIS 10 -7.737 -5.774 -2.426 79 HD2 HIS 10 HD2 HIS 10 -7.815 -2.946 -5.468 80 HE1 HIS 10 HE1 HIS 10 -10.168 -5.262 -2.804 81 H CYS 11 H CYS 11 -4.195 -2.475 -0.839 82 HA CYS 11 HA CYS 11 -4.142 -0.273 -0.310 83 HB2 CYS 11 HB2 CYS 11 -5.338 0.255 -3.038 84 HB3 CYS 11 HB1 CYS 11 -4.614 1.451 -1.968 85 H LYS 12 H LYS 12 -5.522 1.213 0.692 86 HA LYS 12 HA LYS 12 -8.262 0.236 0.957 87 HB2 LYS 12 HB2 LYS 12 -6.696 2.254 2.579 88 HB3 LYS 12 HB1 LYS 12 -8.352 1.773 2.918 89 HG2 LYS 12 HG2 LYS 12 -5.989 -0.094 2.916 90 HG3 LYS 12 HG1 LYS 12 -6.690 0.646 4.355 91 HD2 LYS 12 HD2 LYS 12 -8.139 -1.187 2.440 92 HD3 LYS 12 HD1 LYS 12 -7.484 -1.660 4.008 93 HE2 LYS 12 HE2 LYS 12 -9.609 0.439 3.571 94 HE3 LYS 12 HE1 LYS 12 -9.915 -1.223 4.070 95 HZ1 LYS 12 HZ1 LYS 12 -9.773 0.611 5.848 96 HZ2 LYS 12 HZ2 LYS 12 -8.099 0.487 5.642 97 HZ3 LYS 12 HZ3 LYS 12 -8.991 -0.861 6.139 98 H ARG 13 H ARG 13 -9.721 1.072 -0.338 99 HA ARG 13 HA ARG 13 -11.074 2.535 -1.407 100 HB2 ARG 13 HB2 ARG 13 -9.604 4.419 0.377 101 HB3 ARG 13 HB1 ARG 13 -10.576 5.079 -0.931 102 HG2 ARG 13 HG2 ARG 13 -11.668 3.130 1.078 103 HG3 ARG 13 HG1 ARG 13 -11.702 4.879 1.316 104 HD2 ARG 13 HD2 ARG 13 -12.966 5.130 -0.772 105 HD3 ARG 13 HD1 ARG 13 -12.939 3.381 -0.995 106 HE ARG 13 HE ARG 13 -14.639 4.891 0.771 107 HH11 ARG 13 HH11 ARG 13 -13.289 1.742 0.062 108 HH12 ARG 13 HH12 ARG 13 -14.456 0.880 1.007 109 HH21 ARG 13 HH21 ARG 13 -16.185 3.763 2.029 110 HH22 ARG 13 HH22 ARG 13 -16.109 2.036 2.133 111 H GLY 14 H GLY 14 -7.746 3.847 -1.405 112 HA2 GLY 14 HA2 GLY 14 -7.433 3.424 -4.187 113 HA3 GLY 14 HA1 GLY 14 -7.878 5.098 -3.888 114 H GLY 15 H GLY 15 -5.365 3.689 -4.824 115 HA2 GLY 15 HA2 GLY 15 -3.501 5.483 -3.798 116 HA3 GLY 15 HA1 GLY 15 -3.368 4.004 -2.855 117 H ARG 16 H ARG 16 -1.301 3.570 -3.626 118 HA ARG 16 HA ARG 16 -1.250 2.297 -6.245 119 HB2 ARG 16 HB2 ARG 16 0.584 4.542 -5.404 120 HB3 ARG 16 HB1 ARG 16 1.035 3.387 -6.648 121 HG2 ARG 16 HG2 ARG 16 -1.396 5.161 -6.754 122 HG3 ARG 16 HG1 ARG 16 0.144 5.499 -7.549 123 HD2 ARG 16 HD2 ARG 16 -0.085 3.365 -8.788 124 HD3 ARG 16 HD1 ARG 16 -1.673 3.146 -8.057 125 HE ARG 16 HE ARG 16 -1.014 4.812 -10.273 126 HH11 ARG 16 HH11 ARG 16 -3.220 4.489 -7.564 127 HH12 ARG 16 HH12 ARG 16 -4.446 5.481 -8.290 128 HH21 ARG 16 HH21 ARG 16 -2.633 6.110 -11.226 129 HH22 ARG 16 HH22 ARG 16 -4.113 6.399 -10.375 130 H VAL 17 H VAL 17 -0.127 0.420 -6.156 131 HA VAL 17 HA VAL 17 1.018 -0.374 -3.640 132 HB VAL 17 HB VAL 17 1.084 -1.905 -6.243 133 HG11 VAL 17 HG11 VAL 17 1.723 -3.746 -5.060 134 HG12 VAL 17 HG21 VAL 17 0.951 -3.195 -3.572 135 HG13 VAL 17 3HG1 VAL 17 2.486 -2.491 -4.082 136 HG21 VAL 17 HG12 VAL 17 -1.213 -1.090 -5.077 137 HG22 VAL 17 HG22 VAL 17 -0.938 -2.608 -4.221 138 HG23 VAL 17 HG23 VAL 17 -1.047 -2.595 -5.981 139 H ARG 18 H ARG 18 3.089 -0.244 -3.065 140 HA ARG 18 HA ARG 18 5.068 0.294 -5.180 141 HB2 ARG 18 HB2 ARG 18 4.732 1.467 -2.458 142 HB3 ARG 18 HB1 ARG 18 6.365 1.277 -3.085 143 HG2 ARG 18 HG2 ARG 18 5.592 3.488 -3.586 144 HG3 ARG 18 HG1 ARG 18 5.701 2.571 -5.088 145 HD2 ARG 18 HD2 ARG 18 3.221 2.069 -4.755 146 HD3 ARG 18 HD1 ARG 18 3.248 3.345 -3.541 147 HE ARG 18 HE ARG 18 3.235 4.886 -5.217 148 HH11 ARG 18 HH11 ARG 18 4.259 1.799 -6.558 149 HH12 ARG 18 HH12 ARG 18 4.365 2.397 -8.178 150 HH21 ARG 18 HH21 ARG 18 3.315 5.658 -7.347 151 HH22 ARG 18 HH22 ARG 18 3.834 4.602 -8.633 152 H GLY 19 H GLY 19 4.077 -1.860 -2.786 153 HA2 GLY 19 HA2 GLY 19 6.090 -3.721 -3.377 154 HA3 GLY 19 HA1 GLY 19 6.538 -2.892 -1.895 155 H THR 20 H THR 20 6.342 -4.744 -0.663 156 HA THR 20 HA THR 20 3.585 -5.437 0.016 157 HB THR 20 HB THR 20 4.439 -7.864 0.293 158 HG1 THR 20 HG1 THR 20 6.052 -7.970 -1.725 159 HG21 THR 20 HG12 THR 20 4.178 -8.158 -2.332 160 HG22 THR 20 HG22 THR 20 3.649 -6.479 -2.218 161 HG23 THR 20 HG23 THR 20 2.808 -7.732 -1.305 162 H CYS 21 H CYS 21 3.341 -6.270 2.150 163 HA CYS 21 HA CYS 21 5.389 -5.293 3.974 164 HB2 CYS 21 HB2 CYS 21 2.735 -5.077 4.140 165 HB3 CYS 21 HB1 CYS 21 2.909 -6.622 4.961 166 H GLY 22 H GLY 22 6.625 -7.192 2.833 167 HA2 GLY 22 HA2 GLY 22 7.880 -9.031 3.541 168 HA3 GLY 22 HA1 GLY 22 6.683 -9.382 4.758 169 H ILE 23 H ILE 23 4.485 -9.774 3.611 170 HA ILE 23 HA ILE 23 4.414 -11.094 1.125 171 HB ILE 23 HB ILE 23 5.778 -12.777 2.326 172 HG12 ILE 23 HG21 ILE 23 4.346 -14.756 1.805 173 HG13 ILE 23 HG11 ILE 23 2.984 -13.662 1.580 174 HG21 ILE 23 HG12 ILE 23 4.823 -14.115 4.114 175 HG22 ILE 23 HG22 ILE 23 3.359 -13.133 4.086 176 HG23 ILE 23 HG23 ILE 23 4.893 -12.415 4.576 177 HD11 ILE 23 HD11 ILE 23 4.230 -12.552 -0.238 178 HD12 ILE 23 HD12 ILE 23 3.903 -14.255 -0.553 179 HD13 ILE 23 HD13 ILE 23 5.513 -13.746 -0.046 180 H ARG 24 H ARG 24 2.347 -11.668 0.522 181 HA ARG 24 HA ARG 24 0.097 -11.791 0.511 182 HB2 ARG 24 HB2 ARG 24 0.307 -13.292 2.422 183 HB3 ARG 24 HB1 ARG 24 0.321 -11.915 3.511 184 HG2 ARG 24 HG2 ARG 24 -1.956 -11.376 2.926 185 HG3 ARG 24 HG1 ARG 24 -1.980 -12.664 1.720 186 HD2 ARG 24 HD2 ARG 24 -1.578 -13.054 4.685 187 HD3 ARG 24 HD1 ARG 24 -3.094 -13.314 3.822 188 HE ARG 24 HE ARG 24 -1.157 -14.856 2.561 189 HH11 ARG 24 HH11 ARG 24 -2.682 -14.689 5.703 190 HH12 ARG 24 HH12 ARG 24 -2.534 -16.385 6.014 191 HH21 ARG 24 HH21 ARG 24 -0.958 -17.104 2.959 192 HH22 ARG 24 HH22 ARG 24 -1.550 -17.764 4.447 193 H PHE 25 H PHE 25 1.365 -9.515 2.817 194 HA PHE 25 HA PHE 25 -0.919 -7.750 2.467 195 HB2 PHE 25 HB2 PHE 25 1.546 -7.619 4.201 196 HB3 PHE 25 HB1 PHE 25 0.431 -6.264 4.057 197 HD1 PHE 25 HD1 PHE 25 -0.109 -9.945 4.385 198 HD2 PHE 25 HD2 PHE 25 -0.763 -6.064 5.997 199 HE1 PHE 25 HE1 PHE 25 -1.547 -10.916 6.127 200 HE2 PHE 25 HE2 PHE 25 -2.201 -7.027 7.745 201 HZ PHE 25 HZ PHE 25 -2.597 -9.455 7.804 202 H LEU 26 H LEU 26 -0.970 -6.036 1.144 203 HA LEU 26 HA LEU 26 1.363 -5.551 -0.528 204 HB2 LEU 26 HB2 LEU 26 -1.528 -4.773 -0.725 205 HB3 LEU 26 HB1 LEU 26 -0.318 -3.984 -1.715 206 HG LEU 26 HG LEU 26 0.310 -6.265 -2.594 207 HD11 LEU 26 HD11 LEU 26 -0.631 -7.629 -0.821 208 HD12 LEU 26 HD12 LEU 26 -1.353 -8.047 -2.375 209 HD13 LEU 26 HD13 LEU 26 -2.251 -7.061 -1.221 210 HD21 LEU 26 HD21 LEU 26 -1.036 -4.713 -3.884 211 HD22 LEU 26 HD22 LEU 26 -2.498 -5.280 -3.077 212 HD23 LEU 26 HD23 LEU 26 -1.595 -6.367 -4.132 213 H TYR 27 H TYR 27 2.513 -3.716 -0.581 214 HA TYR 27 HA TYR 27 2.031 -1.777 1.562 215 HB2 TYR 27 HB2 TYR 27 4.278 -2.897 1.269 216 HB3 TYR 27 HB1 TYR 27 4.437 -2.035 -0.255 217 HD1 TYR 27 HD2 TYR 27 3.233 -0.902 3.097 218 HD2 TYR 27 HD1 TYR 27 6.118 -0.483 0.000 219 HE1 TYR 27 HE2 TYR 27 4.242 0.989 4.301 220 HE2 TYR 27 HE1 TYR 27 7.137 1.409 1.196 221 HH TYR 27 HH TYR 27 7.146 2.092 3.891 222 H CYS 28 H CYS 28 0.566 -0.337 0.860 223 HA CYS 28 HA CYS 28 0.816 0.776 -1.839 224 HB2 CYS 28 HB2 CYS 28 -1.415 0.933 0.191 225 HB3 CYS 28 HB1 CYS 28 -1.441 1.744 -1.369 226 H CYS 29 H CYS 29 1.069 2.924 -2.248 227 HA CYS 29 HA CYS 29 1.594 4.668 0.068 228 HB2 CYS 29 HB2 CYS 29 3.065 4.490 -2.561 229 HB3 CYS 29 HB1 CYS 29 3.205 5.876 -1.487 230 HA PRO 30 HA PRO 30 -1.693 6.901 -2.019 231 HB2 PRO 30 HB2 PRO 30 -1.712 8.670 0.276 232 HB3 PRO 30 HB1 PRO 30 -2.922 7.483 -0.210 233 HG2 PRO 30 HG2 PRO 30 -1.373 7.221 2.018 234 HG3 PRO 30 HG1 PRO 30 -2.037 5.844 1.120 235 HD2 PRO 30 HD2 PRO 30 0.723 7.009 1.038 236 HD3 PRO 30 HD1 PRO 30 0.215 5.305 1.035 237 H ARG 31 H ARG 31 1.267 8.162 -0.713 238 HA ARG 31 HA ARG 31 1.050 10.838 -1.511 239 HB2 ARG 31 HB2 ARG 31 3.546 10.870 -1.404 240 HB3 ARG 31 HB1 ARG 31 2.772 10.234 0.039 241 HG2 ARG 31 HG2 ARG 31 3.567 8.123 -0.292 242 HG3 ARG 31 HG1 ARG 31 3.626 8.300 -2.047 243 HD2 ARG 31 HD2 ARG 31 5.872 8.190 -1.130 244 HD3 ARG 31 HD1 ARG 31 5.567 9.778 -1.829 245 HE ARG 31 HE ARG 31 5.845 10.707 0.238 246 HH11 ARG 31 HH11 ARG 31 5.437 7.250 0.619 247 HH12 ARG 31 HH12 ARG 31 5.770 7.268 2.317 248 HH21 ARG 31 HH21 ARG 31 6.285 10.734 2.486 249 HH22 ARG 31 HH22 ARG 31 6.247 9.254 3.384 250 H ARG 32 H ARG 32 2.509 8.070 -3.207 251 HA ARG 32 HA ARG 32 1.861 9.185 -5.774 252 HB2 ARG 32 HB2 ARG 32 4.704 9.067 -4.797 253 HB3 ARG 32 HB1 ARG 32 4.352 8.806 -6.495 254 HG2 ARG 32 HG2 ARG 32 3.666 11.284 -4.925 255 HG3 ARG 32 HG1 ARG 32 5.025 11.106 -6.034 256 HD2 ARG 32 HD2 ARG 32 3.385 12.197 -7.298 257 HD3 ARG 32 HD1 ARG 32 3.270 10.511 -7.799 258 HE ARG 32 HE ARG 32 1.488 10.962 -5.672 259 HH11 ARG 32 HH11 ARG 32 1.896 11.786 -9.050 260 HH12 ARG 32 HH12 ARG 32 0.202 11.980 -9.344 261 HH21 ARG 32 HH21 ARG 32 -0.741 11.207 -6.044 262 HH22 ARG 32 HH22 ARG 32 -1.310 11.650 -7.618 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 0.229 9.836 3.038 2 H2 GLY 1 2HT GLY 1 -0.694 11.228 3.320 3 H3 GLY 1 3HT GLY 1 -0.340 10.170 4.595 4 HA2 GLY 1 HA1 GLY 1 1.184 12.340 3.582 5 HA3 GLY 1 HA2 GLY 1 1.400 11.434 5.075 6 H LEU 2 H LEU 2 3.687 11.532 4.754 7 HA LEU 2 HA LEU 2 4.941 10.488 2.442 8 HB2 LEU 2 HB2 LEU 2 7.007 10.584 3.679 9 HB3 LEU 2 HB1 LEU 2 6.077 12.036 3.980 10 HG LEU 2 HG LEU 2 6.052 9.733 5.920 11 HD11 LEU 2 HD11 LEU 2 8.013 10.324 6.857 12 HD12 LEU 2 HD12 LEU 2 7.790 12.036 6.501 13 HD13 LEU 2 HD13 LEU 2 8.369 10.942 5.245 14 HD21 LEU 2 HD21 LEU 2 5.202 11.263 7.458 15 HD22 LEU 2 HD22 LEU 2 4.377 11.695 5.960 16 HD23 LEU 2 HD23 LEU 2 5.745 12.655 6.520 17 H LEU 3 H LEU 3 4.013 9.074 5.524 18 HA LEU 3 HA LEU 3 5.272 6.559 5.007 19 HB2 LEU 3 HB2 LEU 3 4.883 7.399 7.289 20 HB3 LEU 3 HB1 LEU 3 3.153 7.301 7.027 21 HG LEU 3 HG LEU 3 3.375 4.839 6.749 22 HD11 LEU 3 HD11 LEU 3 5.760 4.244 7.987 23 HD12 LEU 3 HD12 LEU 3 6.197 5.534 6.864 24 HD13 LEU 3 HD13 LEU 3 5.412 4.072 6.266 25 HD21 LEU 3 HD21 LEU 3 4.474 5.893 9.351 26 HD22 LEU 3 HD22 LEU 3 3.644 4.357 9.100 27 HD23 LEU 3 HD23 LEU 3 2.768 5.875 8.904 28 H CYS 4 H CYS 4 4.509 4.901 3.896 29 HA CYS 4 HA CYS 4 1.879 5.078 2.692 30 HB2 CYS 4 HB2 CYS 4 3.903 2.871 2.334 31 HB3 CYS 4 HB1 CYS 4 2.595 3.323 1.249 32 H TYR 5 H TYR 5 0.392 3.221 2.761 33 HA TYR 5 HA TYR 5 0.412 2.052 5.437 34 HB2 TYR 5 HB2 TYR 5 -2.010 1.607 5.035 35 HB3 TYR 5 HB1 TYR 5 -1.564 3.305 5.043 36 HD1 TYR 5 HD2 TYR 5 -2.126 0.486 2.658 37 HD2 TYR 5 HD1 TYR 5 -2.359 4.675 3.345 38 HE1 TYR 5 HE2 TYR 5 -3.274 0.765 0.510 39 HE2 TYR 5 HE1 TYR 5 -3.517 4.966 1.193 40 HH TYR 5 HH TYR 5 -4.731 3.769 -0.433 41 H CYS 6 H CYS 6 0.387 0.017 5.906 42 HA CYS 6 HA CYS 6 0.942 -1.895 3.776 43 HB2 CYS 6 HB2 CYS 6 2.485 -1.879 5.645 44 HB3 CYS 6 HB1 CYS 6 1.160 -2.052 6.787 45 H ARG 7 H ARG 7 -0.713 -3.156 3.041 46 HA ARG 7 HA ARG 7 -2.907 -3.752 4.917 47 HB2 ARG 7 HB2 ARG 7 -3.256 -2.933 2.027 48 HB3 ARG 7 HB1 ARG 7 -4.544 -3.477 3.090 49 HG2 ARG 7 HG2 ARG 7 -2.934 -0.951 3.304 50 HG3 ARG 7 HG1 ARG 7 -4.656 -1.110 2.962 51 HD2 ARG 7 HD2 ARG 7 -3.249 -1.782 5.541 52 HD3 ARG 7 HD1 ARG 7 -4.328 -0.418 5.256 53 HE ARG 7 HE ARG 7 -5.818 -2.644 4.657 54 HH11 ARG 7 HH11 ARG 7 -4.022 -1.538 7.443 55 HH12 ARG 7 HH12 ARG 7 -5.070 -2.300 8.595 56 HH21 ARG 7 HH21 ARG 7 -7.212 -3.673 6.169 57 HH22 ARG 7 HH22 ARG 7 -6.891 -3.524 7.866 58 H LYS 8 H LYS 8 -3.834 -5.727 4.782 59 HA LYS 8 HA LYS 8 -2.399 -7.770 3.318 60 HB2 LYS 8 HB2 LYS 8 -3.148 -8.038 5.682 61 HB3 LYS 8 HB1 LYS 8 -4.809 -8.047 5.127 62 HG2 LYS 8 HG2 LYS 8 -4.109 -10.035 3.668 63 HG3 LYS 8 HG1 LYS 8 -2.670 -10.102 4.686 64 HD2 LYS 8 HD2 LYS 8 -5.492 -10.172 5.747 65 HD3 LYS 8 HD1 LYS 8 -4.535 -11.613 5.403 66 HE2 LYS 8 HE2 LYS 8 -3.677 -9.432 7.297 67 HE3 LYS 8 HE1 LYS 8 -4.530 -10.891 7.800 68 HZ1 LYS 8 HZ1 LYS 8 -2.684 -12.116 7.622 69 HZ2 LYS 8 HZ2 LYS 8 -1.854 -10.643 7.660 70 HZ3 LYS 8 HZ3 LYS 8 -2.195 -11.382 6.178 71 H GLY 9 H GLY 9 -3.514 -6.109 1.558 72 HA2 GLY 9 HA2 GLY 9 -5.104 -7.801 -0.054 73 HA3 GLY 9 HA1 GLY 9 -6.121 -6.579 0.694 74 H HIS 10 H HIS 10 -6.609 -5.566 -1.255 75 HA HIS 10 HA HIS 10 -4.391 -4.495 -2.811 76 HB2 HIS 10 HB2 HIS 10 -7.328 -4.785 -3.337 77 HB3 HIS 10 HB1 HIS 10 -6.354 -3.680 -4.302 78 HD1 HIS 10 HD1 HIS 10 -4.003 -5.034 -5.195 79 HD2 HIS 10 HD2 HIS 10 -7.495 -7.193 -4.534 80 HE1 HIS 10 HE1 HIS 10 -3.743 -7.155 -6.519 81 H CYS 11 H CYS 11 -3.926 -3.133 -0.851 82 HA CYS 11 HA CYS 11 -3.767 -1.068 0.100 83 HB2 CYS 11 HB2 CYS 11 -5.256 -0.033 -2.307 84 HB3 CYS 11 HB1 CYS 11 -4.076 0.817 -1.316 85 H LYS 12 H LYS 12 -5.642 1.131 -0.277 86 HA LYS 12 HA LYS 12 -8.159 0.159 0.818 87 HB2 LYS 12 HB2 LYS 12 -6.112 1.640 2.394 88 HB3 LYS 12 HB1 LYS 12 -7.792 2.099 2.622 89 HG2 LYS 12 HG2 LYS 12 -6.695 -0.685 2.967 90 HG3 LYS 12 HG1 LYS 12 -7.016 0.456 4.273 91 HD2 LYS 12 HD2 LYS 12 -9.063 -0.656 2.352 92 HD3 LYS 12 HD1 LYS 12 -8.839 -1.161 4.026 93 HE2 LYS 12 HE2 LYS 12 -9.595 1.622 3.134 94 HE3 LYS 12 HE1 LYS 12 -10.725 0.411 3.734 95 HZ1 LYS 12 HZ1 LYS 12 -9.811 2.174 5.346 96 HZ2 LYS 12 HZ2 LYS 12 -8.412 1.225 5.372 97 HZ3 LYS 12 HZ3 LYS 12 -9.889 0.567 5.867 98 H ARG 13 H ARG 13 -9.572 1.114 -0.470 99 HA ARG 13 HA ARG 13 -10.686 2.655 -1.713 100 HB2 ARG 13 HB2 ARG 13 -9.699 4.210 0.635 101 HB3 ARG 13 HB1 ARG 13 -10.471 5.079 -0.683 102 HG2 ARG 13 HG2 ARG 13 -11.754 2.740 0.704 103 HG3 ARG 13 HG1 ARG 13 -11.964 4.412 1.230 104 HD2 ARG 13 HD2 ARG 13 -12.792 4.958 -1.055 105 HD3 ARG 13 HD1 ARG 13 -12.712 3.243 -1.448 106 HE ARG 13 HE ARG 13 -14.713 4.582 0.120 107 HH11 ARG 13 HH11 ARG 13 -13.222 1.491 -0.585 108 HH12 ARG 13 HH12 ARG 13 -14.534 0.565 0.061 109 HH21 ARG 13 HH21 ARG 13 -16.447 3.360 0.977 110 HH22 ARG 13 HH22 ARG 13 -16.370 1.630 0.953 111 H GLY 14 H GLY 14 -8.314 2.002 -2.874 112 HA2 GLY 14 HA2 GLY 14 -7.169 2.760 -4.741 113 HA3 GLY 14 HA1 GLY 14 -7.807 4.370 -4.442 114 H GLY 15 H GLY 15 -5.052 2.985 -4.877 115 HA2 GLY 15 HA2 GLY 15 -3.514 4.930 -3.544 116 HA3 GLY 15 HA1 GLY 15 -3.435 3.415 -2.651 117 H ARG 16 H ARG 16 -1.263 4.746 -4.035 118 HA ARG 16 HA ARG 16 -0.824 3.101 -6.386 119 HB2 ARG 16 HB2 ARG 16 -0.109 5.392 -6.581 120 HB3 ARG 16 HB1 ARG 16 0.830 5.279 -5.098 121 HG2 ARG 16 HG2 ARG 16 2.290 5.214 -7.023 122 HG3 ARG 16 HG1 ARG 16 2.330 3.666 -6.178 123 HD2 ARG 16 HD2 ARG 16 0.528 2.936 -7.861 124 HD3 ARG 16 HD1 ARG 16 1.020 4.352 -8.791 125 HE ARG 16 HE ARG 16 3.285 2.812 -8.083 126 HH11 ARG 16 HH11 ARG 16 0.543 2.796 -10.259 127 HH12 ARG 16 HH12 ARG 16 1.318 1.794 -11.439 128 HH21 ARG 16 HH21 ARG 16 4.316 1.485 -9.636 129 HH22 ARG 16 HH22 ARG 16 3.475 1.046 -11.085 130 H VAL 17 H VAL 17 -0.012 1.162 -6.210 131 HA VAL 17 HA VAL 17 1.005 0.069 -3.843 132 HB VAL 17 HB VAL 17 1.813 -1.821 -5.292 133 HG11 VAL 17 HG11 VAL 17 -0.229 -2.500 -4.714 134 HG12 VAL 17 HG21 VAL 17 -0.758 -1.941 -6.300 135 HG13 VAL 17 3HG1 VAL 17 -0.902 -0.880 -4.899 136 HG21 VAL 17 HG12 VAL 17 1.589 0.125 -7.328 137 HG22 VAL 17 HG22 VAL 17 0.382 -1.118 -7.661 138 HG23 VAL 17 HG23 VAL 17 2.080 -1.562 -7.484 139 H ARG 18 H ARG 18 2.934 0.043 -2.966 140 HA ARG 18 HA ARG 18 5.133 1.363 -4.387 141 HB2 ARG 18 HB2 ARG 18 4.220 2.049 -2.034 142 HB3 ARG 18 HB1 ARG 18 5.148 0.669 -1.466 143 HG2 ARG 18 HG2 ARG 18 6.399 2.733 -1.238 144 HG3 ARG 18 HG1 ARG 18 7.181 1.646 -2.392 145 HD2 ARG 18 HD2 ARG 18 6.156 2.903 -4.236 146 HD3 ARG 18 HD1 ARG 18 5.405 3.989 -3.069 147 HE ARG 18 HE ARG 18 8.074 4.101 -4.036 148 HH11 ARG 18 HH11 ARG 18 6.131 4.740 -1.182 149 HH12 ARG 18 HH12 ARG 18 7.259 5.872 -0.513 150 HH21 ARG 18 HH21 ARG 18 9.562 5.597 -3.146 151 HH22 ARG 18 HH22 ARG 18 9.212 6.358 -1.630 152 H GLY 19 H GLY 19 4.266 -1.516 -2.563 153 HA2 GLY 19 HA2 GLY 19 5.848 -3.270 -4.033 154 HA3 GLY 19 HA1 GLY 19 6.796 -2.773 -2.636 155 H THR 20 H THR 20 6.699 -5.031 -2.004 156 HA THR 20 HA THR 20 4.096 -5.958 -1.073 157 HB THR 20 HB THR 20 5.552 -8.024 -0.441 158 HG1 THR 20 HG1 THR 20 7.468 -8.174 -1.605 159 HG21 THR 20 HG12 THR 20 5.457 -8.793 -2.857 160 HG22 THR 20 HG22 THR 20 4.868 -7.178 -3.247 161 HG23 THR 20 HG23 THR 20 3.942 -8.217 -2.165 162 H CYS 21 H CYS 21 3.593 -6.278 1.052 163 HA CYS 21 HA CYS 21 5.485 -5.135 2.989 164 HB2 CYS 21 HB2 CYS 21 3.225 -4.074 2.760 165 HB3 CYS 21 HB1 CYS 21 2.521 -5.576 3.348 166 H GLY 22 H GLY 22 5.882 -7.745 2.061 167 HA2 GLY 22 HA2 GLY 22 6.733 -9.543 3.406 168 HA3 GLY 22 HA1 GLY 22 5.432 -9.246 4.549 169 H ILE 23 H ILE 23 4.618 -11.314 4.559 170 HA ILE 23 HA ILE 23 3.939 -12.628 2.073 171 HB ILE 23 HB ILE 23 3.494 -13.488 4.939 172 HG12 ILE 23 HG21 ILE 23 5.203 -15.283 4.151 173 HG13 ILE 23 HG11 ILE 23 5.577 -14.139 2.869 174 HG21 ILE 23 HG12 ILE 23 1.986 -14.909 4.130 175 HG22 ILE 23 HG22 ILE 23 3.328 -15.736 3.338 176 HG23 ILE 23 HG23 ILE 23 2.402 -14.518 2.461 177 HD11 ILE 23 HD11 ILE 23 7.164 -13.800 4.577 178 HD12 ILE 23 HD12 ILE 23 5.920 -13.775 5.828 179 HD13 ILE 23 HD13 ILE 23 6.036 -12.447 4.673 180 H ARG 24 H ARG 24 2.132 -12.271 1.038 181 HA ARG 24 HA ARG 24 0.018 -11.681 0.497 182 HB2 ARG 24 HB2 ARG 24 -0.416 -13.731 1.892 183 HB3 ARG 24 HB1 ARG 24 -0.728 -12.666 3.255 184 HG2 ARG 24 HG2 ARG 24 -2.592 -11.654 2.066 185 HG3 ARG 24 HG1 ARG 24 -2.261 -12.669 0.661 186 HD2 ARG 24 HD2 ARG 24 -2.778 -14.657 1.919 187 HD3 ARG 24 HD1 ARG 24 -2.961 -13.717 3.399 188 HE ARG 24 HE ARG 24 -4.742 -12.676 1.535 189 HH11 ARG 24 HH11 ARG 24 -4.236 -15.700 3.220 190 HH12 ARG 24 HH12 ARG 24 -5.917 -16.116 3.254 191 HH21 ARG 24 HH21 ARG 24 -6.970 -13.215 1.579 192 HH22 ARG 24 HH22 ARG 24 -7.476 -14.697 2.318 193 H PHE 25 H PHE 25 1.502 -9.594 1.256 194 HA PHE 25 HA PHE 25 -0.487 -7.789 2.385 195 HB2 PHE 25 HB2 PHE 25 2.199 -8.341 3.553 196 HB3 PHE 25 HB1 PHE 25 1.661 -6.669 3.513 197 HD1 PHE 25 HD2 PHE 25 1.043 -9.994 4.925 198 HD2 PHE 25 HD1 PHE 25 -0.101 -5.900 4.922 199 HE1 PHE 25 HE2 PHE 25 -0.206 -10.346 7.012 200 HE2 PHE 25 HE1 PHE 25 -1.346 -6.240 7.015 201 HZ PHE 25 HZ PHE 25 -1.405 -8.466 8.060 202 H LEU 26 H LEU 26 -0.555 -5.911 1.304 203 HA LEU 26 HA LEU 26 1.608 -5.399 -0.625 204 HB2 LEU 26 HB2 LEU 26 -1.343 -4.857 -0.773 205 HB3 LEU 26 HB1 LEU 26 -0.212 -3.964 -1.765 206 HG LEU 26 HG LEU 26 0.577 -6.192 -2.679 207 HD11 LEU 26 HD11 LEU 26 -1.157 -8.016 -2.521 208 HD12 LEU 26 HD12 LEU 26 -1.845 -7.127 -1.162 209 HD13 LEU 26 HD13 LEU 26 -0.195 -7.741 -1.069 210 HD21 LEU 26 HD21 LEU 26 -1.141 -6.276 -4.313 211 HD22 LEU 26 HD22 LEU 26 -0.997 -4.592 -3.806 212 HD23 LEU 26 HD23 LEU 26 -2.323 -5.585 -3.201 213 H TYR 27 H TYR 27 2.641 -3.521 -0.544 214 HA TYR 27 HA TYR 27 1.864 -1.647 1.577 215 HB2 TYR 27 HB2 TYR 27 4.206 -2.717 1.434 216 HB3 TYR 27 HB1 TYR 27 4.470 -1.663 0.051 217 HD1 TYR 27 HD2 TYR 27 2.892 -1.142 3.399 218 HD2 TYR 27 HD1 TYR 27 5.889 0.059 0.629 219 HE1 TYR 27 HE2 TYR 27 3.569 0.661 4.924 220 HE2 TYR 27 HE1 TYR 27 6.576 1.867 2.149 221 HH TYR 27 HH TYR 27 4.802 2.512 5.147 222 H CYS 28 H CYS 28 0.514 -0.132 0.766 223 HA CYS 28 HA CYS 28 1.191 1.023 -1.862 224 HB2 CYS 28 HB2 CYS 28 -1.520 1.236 -0.579 225 HB3 CYS 28 HB1 CYS 28 -1.076 1.462 -2.267 226 H CYS 29 H CYS 29 1.284 3.211 -2.103 227 HA CYS 29 HA CYS 29 1.388 4.738 0.394 228 HB2 CYS 29 HB2 CYS 29 2.451 5.438 -2.351 229 HB3 CYS 29 HB1 CYS 29 2.707 6.366 -0.875 230 HA PRO 30 HA PRO 30 -2.453 6.662 -0.659 231 HB2 PRO 30 HB2 PRO 30 -2.348 8.703 1.126 232 HB3 PRO 30 HB1 PRO 30 -2.707 7.037 1.593 233 HG2 PRO 30 HG2 PRO 30 -0.127 8.542 1.775 234 HG3 PRO 30 HG1 PRO 30 -0.871 7.445 2.954 235 HD2 PRO 30 HD2 PRO 30 1.140 6.678 1.303 236 HD3 PRO 30 HD1 PRO 30 -0.121 5.562 1.863 237 H ARG 31 H ARG 31 -3.267 8.559 -1.639 238 HA ARG 31 HA ARG 31 -1.544 9.828 -3.456 239 HB2 ARG 31 HB2 ARG 31 -3.435 11.215 -4.085 240 HB3 ARG 31 HB1 ARG 31 -3.962 9.555 -3.867 241 HG2 ARG 31 HG2 ARG 31 -4.234 11.536 -1.641 242 HG3 ARG 31 HG1 ARG 31 -5.415 11.483 -2.950 243 HD2 ARG 31 HD2 ARG 31 -4.649 9.133 -1.219 244 HD3 ARG 31 HD1 ARG 31 -6.074 10.142 -0.974 245 HE ARG 31 HE ARG 31 -6.146 9.218 -3.598 246 HH11 ARG 31 HH11 ARG 31 -6.306 7.874 -0.367 247 HH12 ARG 31 HH12 ARG 31 -7.306 6.539 -0.836 248 HH21 ARG 31 HH21 ARG 31 -7.498 7.469 -4.204 249 HH22 ARG 31 HH22 ARG 31 -7.995 6.313 -3.003 250 H ARG 32 H ARG 32 -2.382 10.585 -0.213 251 HA ARG 32 HA ARG 32 -0.427 12.615 -0.007 252 HB2 ARG 32 HB2 ARG 32 -1.807 14.521 0.491 253 HB3 ARG 32 HB1 ARG 32 -2.293 13.914 -1.086 254 HG2 ARG 32 HG2 ARG 32 -4.269 12.959 -0.215 255 HG3 ARG 32 HG1 ARG 32 -3.728 13.187 1.450 256 HD2 ARG 32 HD2 ARG 32 -3.732 15.665 0.987 257 HD3 ARG 32 HD1 ARG 32 -4.547 15.299 -0.533 258 HE ARG 32 HE ARG 32 -6.476 15.115 0.644 259 HH11 ARG 32 HH11 ARG 32 -3.827 14.469 2.849 260 HH12 ARG 32 HH12 ARG 32 -4.856 14.259 4.227 261 HH21 ARG 32 HH21 ARG 32 -7.838 14.842 2.465 262 HH22 ARG 32 HH22 ARG 32 -7.142 14.473 4.009 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 7.096 4.949 4.300 2 H2 GLY 1 2HT GLY 1 8.004 4.381 2.994 3 H3 GLY 1 3HT GLY 1 6.331 4.563 2.843 4 HA2 GLY 1 HA1 GLY 1 8.422 6.507 2.552 5 HA3 GLY 1 HA2 GLY 1 6.779 6.524 1.923 6 H LEU 2 H LEU 2 6.121 8.522 2.501 7 HA LEU 2 HA LEU 2 6.662 9.577 5.133 8 HB2 LEU 2 HB2 LEU 2 4.936 10.622 2.890 9 HB3 LEU 2 HB1 LEU 2 5.268 11.488 4.378 10 HG LEU 2 HG LEU 2 7.325 10.693 2.314 11 HD11 LEU 2 HD11 LEU 2 5.860 12.473 1.534 12 HD12 LEU 2 HD12 LEU 2 7.475 13.094 1.877 13 HD13 LEU 2 HD13 LEU 2 6.159 13.384 3.015 14 HD21 LEU 2 HD21 LEU 2 8.182 12.697 4.167 15 HD22 LEU 2 HD22 LEU 2 8.895 11.120 3.824 16 HD23 LEU 2 HD23 LEU 2 7.637 11.271 5.052 17 H LEU 3 H LEU 3 3.811 8.367 3.387 18 HA LEU 3 HA LEU 3 2.591 7.732 5.947 19 HB2 LEU 3 HB2 LEU 3 0.399 8.833 4.934 20 HB3 LEU 3 HB1 LEU 3 1.518 9.723 5.944 21 HG LEU 3 HG LEU 3 2.601 10.546 3.794 22 HD11 LEU 3 HD11 LEU 3 0.136 10.207 2.291 23 HD12 LEU 3 HD12 LEU 3 0.977 8.687 2.595 24 HD13 LEU 3 HD13 LEU 3 1.814 10.011 1.782 25 HD21 LEU 3 HD21 LEU 3 -0.228 11.466 3.927 26 HD22 LEU 3 HD22 LEU 3 1.259 12.403 3.777 27 HD23 LEU 3 HD23 LEU 3 0.821 11.686 5.328 28 H CYS 4 H CYS 4 3.566 5.973 4.156 29 HA CYS 4 HA CYS 4 1.507 4.989 2.398 30 HB2 CYS 4 HB2 CYS 4 3.973 3.511 3.300 31 HB3 CYS 4 HB1 CYS 4 3.032 3.245 1.839 32 H TYR 5 H TYR 5 0.598 2.807 2.600 33 HA TYR 5 HA TYR 5 0.494 1.850 5.363 34 HB2 TYR 5 HB2 TYR 5 -2.000 1.371 4.940 35 HB3 TYR 5 HB1 TYR 5 -1.518 3.014 5.336 36 HD1 TYR 5 HD2 TYR 5 -1.940 0.912 2.252 37 HD2 TYR 5 HD1 TYR 5 -2.533 4.676 4.142 38 HE1 TYR 5 HE2 TYR 5 -3.086 1.735 0.242 39 HE2 TYR 5 HE1 TYR 5 -3.685 5.507 2.139 40 HH TYR 5 HH TYR 5 -4.888 3.616 -0.215 41 H CYS 6 H CYS 6 0.260 -0.228 5.705 42 HA CYS 6 HA CYS 6 0.654 -1.991 3.402 43 HB2 CYS 6 HB2 CYS 6 2.430 -2.104 5.006 44 HB3 CYS 6 HB1 CYS 6 1.290 -2.263 6.332 45 H ARG 7 H ARG 7 -1.177 -2.978 2.775 46 HA ARG 7 HA ARG 7 -2.982 -4.035 4.843 47 HB2 ARG 7 HB2 ARG 7 -4.023 -2.679 2.352 48 HB3 ARG 7 HB1 ARG 7 -4.968 -3.320 3.682 49 HG2 ARG 7 HG2 ARG 7 -3.163 -0.909 3.761 50 HG3 ARG 7 HG1 ARG 7 -4.926 -0.909 3.756 51 HD2 ARG 7 HD2 ARG 7 -3.131 -1.996 5.917 52 HD3 ARG 7 HD1 ARG 7 -4.080 -0.517 5.992 53 HE ARG 7 HE ARG 7 -5.898 -2.517 5.510 54 HH11 ARG 7 HH11 ARG 7 -3.486 -1.880 7.953 55 HH12 ARG 7 HH12 ARG 7 -4.395 -2.605 9.239 56 HH21 ARG 7 HH21 ARG 7 -7.120 -3.489 7.212 57 HH22 ARG 7 HH22 ARG 7 -6.466 -3.525 8.814 58 H LYS 8 H LYS 8 -3.862 -5.984 4.394 59 HA LYS 8 HA LYS 8 -2.685 -7.600 2.419 60 HB2 LYS 8 HB2 LYS 8 -3.334 -8.524 4.557 61 HB3 LYS 8 HB1 LYS 8 -5.010 -8.075 4.290 62 HG2 LYS 8 HG2 LYS 8 -5.235 -9.703 2.546 63 HG3 LYS 8 HG1 LYS 8 -3.507 -10.057 2.593 64 HD2 LYS 8 HD2 LYS 8 -5.388 -10.489 4.910 65 HD3 LYS 8 HD1 LYS 8 -4.936 -11.744 3.755 66 HE2 LYS 8 HE2 LYS 8 -2.599 -11.505 4.381 67 HE3 LYS 8 HE1 LYS 8 -3.012 -10.198 5.490 68 HZ1 LYS 8 HZ1 LYS 8 -4.041 -11.653 6.947 69 HZ2 LYS 8 HZ2 LYS 8 -2.699 -12.544 6.426 70 HZ3 LYS 8 HZ3 LYS 8 -4.231 -12.868 5.784 71 H GLY 9 H GLY 9 -3.600 -8.609 0.695 72 HA2 GLY 9 HA2 GLY 9 -5.218 -9.080 -0.940 73 HA3 GLY 9 HA1 GLY 9 -6.235 -7.816 -0.264 74 H HIS 10 H HIS 10 -5.183 -5.562 -0.469 75 HA HIS 10 HA HIS 10 -3.361 -4.919 -2.451 76 HB2 HIS 10 HB2 HIS 10 -4.813 -4.102 -4.290 77 HB3 HIS 10 HB1 HIS 10 -4.867 -5.848 -4.111 78 HD1 HIS 10 HD1 HIS 10 -7.108 -5.047 -5.653 79 HD2 HIS 10 HD2 HIS 10 -7.242 -4.615 -1.522 80 HE1 HIS 10 HE1 HIS 10 -9.548 -4.908 -5.070 81 H CYS 11 H CYS 11 -3.731 -4.019 -0.011 82 HA CYS 11 HA CYS 11 -3.910 -2.175 1.277 83 HB2 CYS 11 HB2 CYS 11 -3.810 -0.791 -1.407 84 HB3 CYS 11 HB1 CYS 11 -3.590 0.005 0.150 85 H LYS 12 H LYS 12 -5.236 0.298 0.767 86 HA LYS 12 HA LYS 12 -8.032 -0.338 0.300 87 HB2 LYS 12 HB2 LYS 12 -6.953 0.449 3.007 88 HB3 LYS 12 HB1 LYS 12 -8.628 0.727 2.555 89 HG2 LYS 12 HG2 LYS 12 -7.311 -1.979 2.516 90 HG3 LYS 12 HG1 LYS 12 -8.224 -1.343 3.887 91 HD2 LYS 12 HD2 LYS 12 -10.234 -1.253 2.605 92 HD3 LYS 12 HD1 LYS 12 -9.363 -1.585 1.107 93 HE2 LYS 12 HE2 LYS 12 -9.554 -3.501 3.427 94 HE3 LYS 12 HE1 LYS 12 -10.613 -3.541 2.017 95 HZ1 LYS 12 HZ1 LYS 12 -9.092 -4.734 0.968 96 HZ2 LYS 12 HZ2 LYS 12 -8.065 -4.673 2.308 97 HZ3 LYS 12 HZ3 LYS 12 -7.965 -3.476 1.112 98 H ARG 13 H ARG 13 -9.305 1.479 -0.070 99 HA ARG 13 HA ARG 13 -9.795 3.560 -0.811 100 HB2 ARG 13 HB2 ARG 13 -7.594 4.383 1.093 101 HB3 ARG 13 HB1 ARG 13 -8.694 5.496 0.296 102 HG2 ARG 13 HG2 ARG 13 -10.580 4.291 1.430 103 HG3 ARG 13 HG1 ARG 13 -9.362 3.415 2.360 104 HD2 ARG 13 HD2 ARG 13 -8.489 5.534 3.215 105 HD3 ARG 13 HD1 ARG 13 -9.695 6.414 2.278 106 HE ARG 13 HE ARG 13 -11.263 5.908 3.863 107 HH11 ARG 13 HH11 ARG 13 -8.418 3.950 4.422 108 HH12 ARG 13 HH12 ARG 13 -9.017 3.264 5.896 109 HH21 ARG 13 HH21 ARG 13 -12.065 5.005 5.810 110 HH22 ARG 13 HH22 ARG 13 -11.101 3.863 6.685 111 H GLY 14 H GLY 14 -8.162 2.057 -2.445 112 HA2 GLY 14 HA2 GLY 14 -6.970 2.350 -4.391 113 HA3 GLY 14 HA1 GLY 14 -7.031 4.084 -4.098 114 H GLY 15 H GLY 15 -5.114 4.990 -3.849 115 HA2 GLY 15 HA2 GLY 15 -3.043 5.334 -2.814 116 HA3 GLY 15 HA1 GLY 15 -3.106 3.683 -2.206 117 H ARG 16 H ARG 16 -0.935 5.143 -3.583 118 HA ARG 16 HA ARG 16 -0.752 3.760 -6.136 119 HB2 ARG 16 HB2 ARG 16 1.203 5.618 -4.760 120 HB3 ARG 16 HB1 ARG 16 1.394 4.966 -6.380 121 HG2 ARG 16 HG2 ARG 16 -0.765 6.845 -5.444 122 HG3 ARG 16 HG1 ARG 16 0.597 7.236 -6.495 123 HD2 ARG 16 HD2 ARG 16 -1.649 5.321 -7.119 124 HD3 ARG 16 HD1 ARG 16 -1.442 6.937 -7.792 125 HE ARG 16 HE ARG 16 0.874 5.493 -8.347 126 HH11 ARG 16 HH11 ARG 16 -2.520 5.415 -9.173 127 HH12 ARG 16 HH12 ARG 16 -2.265 4.694 -10.728 128 HH21 ARG 16 HH21 ARG 16 1.230 4.537 -10.401 129 HH22 ARG 16 HH22 ARG 16 -0.122 4.193 -11.430 130 H VAL 17 H VAL 17 -0.278 1.681 -5.994 131 HA VAL 17 HA VAL 17 0.988 0.416 -3.848 132 HB VAL 17 HB VAL 17 1.020 -0.641 -6.671 133 HG11 VAL 17 HG11 VAL 17 2.264 -1.838 -4.850 134 HG12 VAL 17 HG21 VAL 17 1.033 -2.794 -5.674 135 HG13 VAL 17 3HG1 VAL 17 0.706 -2.128 -4.075 136 HG21 VAL 17 HG12 VAL 17 -1.249 -1.223 -4.827 137 HG22 VAL 17 HG22 VAL 17 -1.189 -1.265 -6.588 138 HG23 VAL 17 HG23 VAL 17 -1.255 0.282 -5.745 139 H ARG 18 H ARG 18 3.032 0.273 -3.269 140 HA ARG 18 HA ARG 18 5.086 1.214 -5.135 141 HB2 ARG 18 HB2 ARG 18 5.171 0.814 -2.138 142 HB3 ARG 18 HB1 ARG 18 6.536 1.342 -3.113 143 HG2 ARG 18 HG2 ARG 18 3.931 2.804 -2.753 144 HG3 ARG 18 HG1 ARG 18 5.483 3.229 -2.032 145 HD2 ARG 18 HD2 ARG 18 4.896 3.148 -4.990 146 HD3 ARG 18 HD1 ARG 18 4.939 4.606 -4.003 147 HE ARG 18 HE ARG 18 7.165 3.207 -5.100 148 HH11 ARG 18 HH11 ARG 18 6.170 5.160 -2.366 149 HH12 ARG 18 HH12 ARG 18 7.772 5.715 -2.013 150 HH21 ARG 18 HH21 ARG 18 9.283 3.931 -4.636 151 HH22 ARG 18 HH22 ARG 18 9.550 5.009 -3.307 152 H GLY 19 H GLY 19 3.998 -1.528 -3.296 153 HA2 GLY 19 HA2 GLY 19 5.137 -3.446 -4.887 154 HA3 GLY 19 HA1 GLY 19 6.365 -3.088 -3.683 155 H THR 20 H THR 20 6.185 -5.231 -2.943 156 HA THR 20 HA THR 20 3.685 -6.039 -1.707 157 HB THR 20 HB THR 20 5.086 -8.126 -1.160 158 HG1 THR 20 HG1 THR 20 7.147 -7.325 -1.509 159 HG21 THR 20 HG12 THR 20 4.450 -9.097 -3.151 160 HG22 THR 20 HG22 THR 20 4.932 -7.698 -4.111 161 HG23 THR 20 HG23 THR 20 3.448 -7.646 -3.159 162 H CYS 21 H CYS 21 3.366 -6.294 0.442 163 HA CYS 21 HA CYS 21 5.284 -5.005 2.227 164 HB2 CYS 21 HB2 CYS 21 2.888 -4.317 2.233 165 HB3 CYS 21 HB1 CYS 21 2.479 -5.930 2.806 166 H GLY 22 H GLY 22 3.803 -6.668 4.347 167 HA2 GLY 22 HA2 GLY 22 5.851 -8.634 4.659 168 HA3 GLY 22 HA1 GLY 22 4.449 -8.427 5.694 169 H ILE 23 H ILE 23 4.034 -10.609 5.881 170 HA ILE 23 HA ILE 23 3.896 -12.394 3.712 171 HB ILE 23 HB ILE 23 2.667 -13.919 5.265 172 HG12 ILE 23 HG21 ILE 23 1.670 -11.980 6.633 173 HG13 ILE 23 HG11 ILE 23 2.241 -13.387 7.517 174 HG21 ILE 23 HG12 ILE 23 4.979 -14.199 5.134 175 HG22 ILE 23 HG22 ILE 23 4.636 -14.113 6.862 176 HG23 ILE 23 HG23 ILE 23 5.302 -12.711 6.025 177 HD11 ILE 23 HD11 ILE 23 2.785 -11.082 8.452 178 HD12 ILE 23 HD12 ILE 23 3.960 -10.959 7.142 179 HD13 ILE 23 HD13 ILE 23 4.106 -12.246 8.340 180 H ARG 24 H ARG 24 2.624 -11.881 2.074 181 HA ARG 24 HA ARG 24 0.770 -11.682 0.800 182 HB2 ARG 24 HB2 ARG 24 -0.427 -12.956 3.243 183 HB3 ARG 24 HB1 ARG 24 -1.452 -12.444 1.911 184 HG2 ARG 24 HG2 ARG 24 -0.978 -14.768 1.652 185 HG3 ARG 24 HG1 ARG 24 -0.112 -13.886 0.395 186 HD2 ARG 24 HD2 ARG 24 1.939 -14.013 1.754 187 HD3 ARG 24 HD1 ARG 24 1.061 -14.944 2.966 188 HE ARG 24 HE ARG 24 2.181 -15.916 0.538 189 HH11 ARG 24 HH11 ARG 24 -0.459 -16.416 2.782 190 HH12 ARG 24 HH12 ARG 24 -0.716 -18.064 2.318 191 HH21 ARG 24 HH21 ARG 24 1.849 -18.097 -0.078 192 HH22 ARG 24 HH22 ARG 24 0.601 -19.022 0.688 193 H PHE 25 H PHE 25 1.668 -9.389 1.842 194 HA PHE 25 HA PHE 25 -0.802 -7.857 2.272 195 HB2 PHE 25 HB2 PHE 25 1.758 -7.721 3.825 196 HB3 PHE 25 HB1 PHE 25 0.827 -6.250 3.580 197 HD1 PHE 25 HD1 PHE 25 0.532 -9.721 4.885 198 HD2 PHE 25 HD2 PHE 25 -0.907 -5.720 5.002 199 HE1 PHE 25 HE1 PHE 25 -0.879 -10.287 6.819 200 HE2 PHE 25 HE2 PHE 25 -2.322 -6.279 6.933 201 HZ PHE 25 HZ PHE 25 -2.309 -8.565 7.843 202 H LEU 26 H LEU 26 -0.790 -5.759 1.340 203 HA LEU 26 HA LEU 26 1.289 -5.410 -0.713 204 HB2 LEU 26 HB2 LEU 26 -1.623 -4.732 -0.638 205 HB3 LEU 26 HB1 LEU 26 -0.551 -3.769 -1.633 206 HG LEU 26 HG LEU 26 -1.601 -5.461 -2.989 207 HD11 LEU 26 HD11 LEU 26 1.102 -4.998 -2.869 208 HD12 LEU 26 HD12 LEU 26 0.249 -5.830 -4.171 209 HD13 LEU 26 HD13 LEU 26 0.999 -6.760 -2.874 210 HD21 LEU 26 HD21 LEU 26 -0.752 -7.910 -2.400 211 HD22 LEU 26 HD22 LEU 26 -2.256 -7.251 -1.758 212 HD23 LEU 26 HD23 LEU 26 -0.797 -7.248 -0.767 213 H TYR 27 H TYR 27 2.317 -3.446 -0.954 214 HA TYR 27 HA TYR 27 1.929 -1.553 1.272 215 HB2 TYR 27 HB2 TYR 27 4.142 -2.798 1.088 216 HB3 TYR 27 HB1 TYR 27 4.430 -1.891 -0.392 217 HD1 TYR 27 HD1 TYR 27 3.104 -0.938 2.971 218 HD2 TYR 27 HD2 TYR 27 6.047 -0.283 -0.030 219 HE1 TYR 27 HE1 TYR 27 4.047 0.897 4.306 220 HE2 TYR 27 HE2 TYR 27 6.999 1.556 1.297 221 HH TYR 27 HH TYR 27 6.151 2.093 4.556 222 H CYS 28 H CYS 28 0.846 0.199 0.632 223 HA CYS 28 HA CYS 28 1.510 1.365 -1.995 224 HB2 CYS 28 HB2 CYS 28 -1.257 1.468 -0.804 225 HB3 CYS 28 HB1 CYS 28 -0.765 1.857 -2.447 226 H CYS 29 H CYS 29 1.511 3.589 -2.135 227 HA CYS 29 HA CYS 29 1.291 5.027 0.430 228 HB2 CYS 29 HB2 CYS 29 3.004 5.785 -1.950 229 HB3 CYS 29 HB1 CYS 29 2.974 6.580 -0.380 230 HA PRO 30 HA PRO 30 -2.128 6.979 -1.705 231 HB2 PRO 30 HB2 PRO 30 -2.545 8.935 0.188 232 HB3 PRO 30 HB1 PRO 30 -3.201 7.297 0.284 233 HG2 PRO 30 HG2 PRO 30 -0.815 8.471 1.634 234 HG3 PRO 30 HG1 PRO 30 -2.001 7.309 2.255 235 HD2 PRO 30 HD2 PRO 30 0.468 6.573 1.422 236 HD3 PRO 30 HD1 PRO 30 -0.948 5.515 1.265 237 H ARG 31 H ARG 31 0.597 8.732 -0.326 238 HA ARG 31 HA ARG 31 0.546 10.529 -2.643 239 HB2 ARG 31 HB2 ARG 31 0.682 11.282 0.248 240 HB3 ARG 31 HB1 ARG 31 1.613 12.226 -0.904 241 HG2 ARG 31 HG2 ARG 31 -0.402 13.379 -0.676 242 HG3 ARG 31 HG1 ARG 31 -0.564 12.502 -2.197 243 HD2 ARG 31 HD2 ARG 31 -2.621 12.270 -1.028 244 HD3 ARG 31 HD1 ARG 31 -1.789 10.719 -0.932 245 HE ARG 31 HE ARG 31 -1.749 10.939 1.333 246 HH11 ARG 31 HH11 ARG 31 -2.282 14.115 -0.046 247 HH12 ARG 31 HH12 ARG 31 -2.481 14.892 1.490 248 HH21 ARG 31 HH21 ARG 31 -2.020 11.960 3.366 249 HH22 ARG 31 HH22 ARG 31 -2.332 13.663 3.434 250 H ARG 32 H ARG 32 2.563 9.710 0.191 251 HA ARG 32 HA ARG 32 4.704 8.775 -1.490 252 HB2 ARG 32 HB2 ARG 32 4.945 11.341 0.073 253 HB3 ARG 32 HB1 ARG 32 6.353 10.346 -0.262 254 HG2 ARG 32 HG2 ARG 32 4.539 11.614 -2.304 255 HG3 ARG 32 HG1 ARG 32 6.171 12.135 -1.875 256 HD2 ARG 32 HD2 ARG 32 7.101 10.076 -2.712 257 HD3 ARG 32 HD1 ARG 32 5.491 9.422 -3.001 258 HE ARG 32 HE ARG 32 5.449 10.528 -4.985 259 HH11 ARG 32 HH11 ARG 32 7.906 12.002 -2.980 260 HH12 ARG 32 HH12 ARG 32 8.446 13.093 -4.211 261 HH21 ARG 32 HH21 ARG 32 6.155 11.957 -6.622 262 HH22 ARG 32 HH22 ARG 32 7.444 13.068 -6.294 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 10.693 8.840 4.928 2 H2 GLY 1 2HT GLY 1 12.127 8.051 4.499 3 H3 GLY 1 3HT GLY 1 11.638 8.096 6.117 4 HA2 GLY 1 HA1 GLY 1 11.154 6.068 4.384 5 HA3 GLY 1 HA2 GLY 1 10.314 6.342 5.907 6 H LEU 2 H LEU 2 9.323 5.187 3.376 7 HA LEU 2 HA LEU 2 7.591 7.126 2.179 8 HB2 LEU 2 HB2 LEU 2 7.583 4.108 2.046 9 HB3 LEU 2 HB1 LEU 2 6.573 5.152 1.065 10 HG LEU 2 HG LEU 2 9.593 5.105 0.992 11 HD11 LEU 2 HD11 LEU 2 9.161 4.144 -1.307 12 HD12 LEU 2 HD12 LEU 2 7.508 3.847 -0.769 13 HD13 LEU 2 HD13 LEU 2 8.858 3.069 0.058 14 HD21 LEU 2 HD21 LEU 2 9.522 6.915 -0.304 15 HD22 LEU 2 HD22 LEU 2 7.855 7.123 0.233 16 HD23 LEU 2 HD23 LEU 2 8.197 6.264 -1.269 17 H LEU 3 H LEU 3 5.560 7.661 2.729 18 HA LEU 3 HA LEU 3 4.502 6.671 5.222 19 HB2 LEU 3 HB2 LEU 3 2.802 8.380 4.985 20 HB3 LEU 3 HB1 LEU 3 4.388 9.061 4.692 21 HG LEU 3 HG LEU 3 2.607 8.227 2.412 22 HD11 LEU 3 HD11 LEU 3 1.159 9.812 3.001 23 HD12 LEU 3 HD12 LEU 3 2.423 10.975 2.601 24 HD13 LEU 3 HD13 LEU 3 2.225 10.425 4.265 25 HD21 LEU 3 HD21 LEU 3 4.654 8.673 1.492 26 HD22 LEU 3 HD22 LEU 3 5.093 9.827 2.752 27 HD23 LEU 3 HD23 LEU 3 3.962 10.295 1.482 28 H CYS 4 H CYS 4 4.611 4.670 3.263 29 HA CYS 4 HA CYS 4 1.960 4.356 2.164 30 HB2 CYS 4 HB2 CYS 4 4.215 2.357 2.253 31 HB3 CYS 4 HB1 CYS 4 2.746 2.210 1.314 32 H TYR 5 H TYR 5 0.606 2.567 2.644 33 HA TYR 5 HA TYR 5 0.776 1.735 5.456 34 HB2 TYR 5 HB2 TYR 5 -1.734 1.350 5.196 35 HB3 TYR 5 HB1 TYR 5 -1.187 3.021 5.223 36 HD1 TYR 5 HD1 TYR 5 -1.799 0.331 2.693 37 HD2 TYR 5 HD2 TYR 5 -2.166 4.445 3.691 38 HE1 TYR 5 HE1 TYR 5 -2.957 0.730 0.573 39 HE2 TYR 5 HE2 TYR 5 -3.328 4.859 1.560 40 HH TYR 5 HH TYR 5 -4.516 3.732 -0.151 41 H CYS 6 H CYS 6 0.640 -0.341 6.035 42 HA CYS 6 HA CYS 6 1.047 -2.281 3.918 43 HB2 CYS 6 HB2 CYS 6 2.466 -2.311 5.946 44 HB3 CYS 6 HB1 CYS 6 1.042 -2.669 6.918 45 H ARG 7 H ARG 7 -0.674 -3.309 3.066 46 HA ARG 7 HA ARG 7 -2.948 -3.934 4.836 47 HB2 ARG 7 HB2 ARG 7 -3.208 -2.896 2.008 48 HB3 ARG 7 HB1 ARG 7 -4.533 -3.396 3.044 49 HG2 ARG 7 HG2 ARG 7 -2.746 -1.005 3.369 50 HG3 ARG 7 HG1 ARG 7 -4.476 -1.026 3.033 51 HD2 ARG 7 HD2 ARG 7 -3.116 -1.918 5.571 52 HD3 ARG 7 HD1 ARG 7 -4.079 -0.458 5.352 53 HE ARG 7 HE ARG 7 -5.817 -2.410 4.682 54 HH11 ARG 7 HH11 ARG 7 -3.680 -2.028 7.420 55 HH12 ARG 7 HH12 ARG 7 -4.754 -2.799 8.541 56 HH21 ARG 7 HH21 ARG 7 -7.251 -3.446 6.152 57 HH22 ARG 7 HH22 ARG 7 -6.792 -3.612 7.814 58 H LYS 8 H LYS 8 -3.490 -5.996 4.788 59 HA LYS 8 HA LYS 8 -2.345 -7.758 2.794 60 HB2 LYS 8 HB2 LYS 8 -2.624 -8.157 5.348 61 HB3 LYS 8 HB1 LYS 8 -4.252 -8.651 4.926 62 HG2 LYS 8 HG2 LYS 8 -1.813 -9.844 3.642 63 HG3 LYS 8 HG1 LYS 8 -2.505 -10.475 5.132 64 HD2 LYS 8 HD2 LYS 8 -4.591 -10.950 4.009 65 HD3 LYS 8 HD1 LYS 8 -3.998 -10.197 2.526 66 HE2 LYS 8 HE2 LYS 8 -3.886 -12.674 2.486 67 HE3 LYS 8 HE1 LYS 8 -2.318 -11.897 2.270 68 HZ1 LYS 8 HZ1 LYS 8 -2.782 -13.870 4.008 69 HZ2 LYS 8 HZ2 LYS 8 -3.015 -12.528 5.009 70 HZ3 LYS 8 HZ3 LYS 8 -1.548 -12.727 4.192 71 H GLY 9 H GLY 9 -3.608 -6.623 1.128 72 HA2 GLY 9 HA2 GLY 9 -5.793 -8.201 0.286 73 HA3 GLY 9 HA1 GLY 9 -6.398 -6.694 0.954 74 H HIS 10 H HIS 10 -5.712 -4.690 -0.043 75 HA HIS 10 HA HIS 10 -4.224 -4.603 -2.427 76 HB2 HIS 10 HB2 HIS 10 -6.143 -4.066 -4.001 77 HB3 HIS 10 HB1 HIS 10 -5.957 -5.756 -3.559 78 HD1 HIS 10 HD1 HIS 10 -8.036 -2.772 -2.403 79 HD2 HIS 10 HD2 HIS 10 -8.288 -6.901 -2.827 80 HE1 HIS 10 HE1 HIS 10 -10.399 -3.376 -1.769 81 H CYS 11 H CYS 11 -3.732 -3.023 -0.570 82 HA CYS 11 HA CYS 11 -3.500 -0.868 0.116 83 HB2 CYS 11 HB2 CYS 11 -4.868 -0.090 -2.459 84 HB3 CYS 11 HB1 CYS 11 -3.696 0.843 -1.534 85 H LYS 12 H LYS 12 -5.103 1.396 -0.385 86 HA LYS 12 HA LYS 12 -7.786 0.746 0.582 87 HB2 LYS 12 HB2 LYS 12 -5.815 2.489 2.070 88 HB3 LYS 12 HB1 LYS 12 -7.547 2.574 2.335 89 HG2 LYS 12 HG2 LYS 12 -7.509 0.183 2.996 90 HG3 LYS 12 HG1 LYS 12 -5.749 0.218 2.855 91 HD2 LYS 12 HD2 LYS 12 -6.417 0.543 5.174 92 HD3 LYS 12 HD1 LYS 12 -5.665 2.009 4.543 93 HE2 LYS 12 HE2 LYS 12 -7.913 2.948 4.134 94 HE3 LYS 12 HE1 LYS 12 -8.626 1.502 4.845 95 HZ1 LYS 12 HZ1 LYS 12 -6.918 3.508 6.217 96 HZ2 LYS 12 HZ2 LYS 12 -7.405 2.046 6.916 97 HZ3 LYS 12 HZ3 LYS 12 -8.560 3.206 6.491 98 H ARG 13 H ARG 13 -9.269 2.064 -0.303 99 HA ARG 13 HA ARG 13 -10.226 3.710 -1.542 100 HB2 ARG 13 HB2 ARG 13 -9.425 5.069 0.389 101 HB3 ARG 13 HB1 ARG 13 -7.946 5.404 -0.492 102 HG2 ARG 13 HG2 ARG 13 -9.398 6.451 -2.278 103 HG3 ARG 13 HG1 ARG 13 -10.732 6.330 -1.128 104 HD2 ARG 13 HD2 ARG 13 -9.842 7.907 0.280 105 HD3 ARG 13 HD1 ARG 13 -8.185 7.578 -0.225 106 HE ARG 13 HE ARG 13 -8.394 9.112 -1.909 107 HH11 ARG 13 HH11 ARG 13 -11.559 8.530 -0.505 108 HH12 ARG 13 HH12 ARG 13 -12.350 9.718 -1.483 109 HH21 ARG 13 HH21 ARG 13 -9.419 10.635 -3.219 110 HH22 ARG 13 HH22 ARG 13 -11.125 10.936 -3.030 111 H GLY 14 H GLY 14 -8.177 1.993 -2.754 112 HA2 GLY 14 HA2 GLY 14 -7.238 1.747 -4.837 113 HA3 GLY 14 HA1 GLY 14 -8.008 3.264 -5.281 114 H GLY 15 H GLY 15 -5.589 2.606 -2.784 115 HA2 GLY 15 HA2 GLY 15 -4.032 4.877 -3.495 116 HA3 GLY 15 HA1 GLY 15 -3.586 3.635 -2.333 117 H ARG 16 H ARG 16 -1.647 4.701 -3.916 118 HA ARG 16 HA ARG 16 -1.269 2.954 -6.198 119 HB2 ARG 16 HB2 ARG 16 -0.647 5.310 -6.414 120 HB3 ARG 16 HB1 ARG 16 0.472 5.155 -5.067 121 HG2 ARG 16 HG2 ARG 16 1.631 5.141 -7.213 122 HG3 ARG 16 HG1 ARG 16 1.841 3.615 -6.352 123 HD2 ARG 16 HD2 ARG 16 0.029 2.639 -7.726 124 HD3 ARG 16 HD1 ARG 16 -0.069 4.151 -8.625 125 HE ARG 16 HE ARG 16 1.866 2.069 -8.945 126 HH11 ARG 16 HH11 ARG 16 1.326 5.509 -9.324 127 HH12 ARG 16 HH12 ARG 16 2.595 5.714 -10.484 128 HH21 ARG 16 HH21 ARG 16 3.545 2.331 -10.479 129 HH22 ARG 16 HH22 ARG 16 3.860 3.899 -11.145 130 H VAL 17 H VAL 17 -0.424 1.037 -5.969 131 HA VAL 17 HA VAL 17 0.746 0.048 -3.613 132 HB VAL 17 HB VAL 17 1.209 -1.143 -6.342 133 HG11 VAL 17 HG11 VAL 17 1.510 -3.172 -5.250 134 HG12 VAL 17 HG21 VAL 17 0.702 -2.615 -3.785 135 HG13 VAL 17 3HG1 VAL 17 2.310 -2.012 -4.188 136 HG21 VAL 17 HG12 VAL 17 -1.317 -0.672 -5.051 137 HG22 VAL 17 HG22 VAL 17 -1.015 -2.401 -5.214 138 HG23 VAL 17 HG23 VAL 17 -0.981 -1.362 -6.638 139 H ARG 18 H ARG 18 2.769 0.048 -2.891 140 HA ARG 18 HA ARG 18 4.840 1.243 -4.600 141 HB2 ARG 18 HB2 ARG 18 4.090 1.984 -2.105 142 HB3 ARG 18 HB1 ARG 18 5.352 0.826 -1.713 143 HG2 ARG 18 HG2 ARG 18 6.288 3.036 -1.805 144 HG3 ARG 18 HG1 ARG 18 6.910 2.082 -3.155 145 HD2 ARG 18 HD2 ARG 18 5.302 3.128 -4.656 146 HD3 ARG 18 HD1 ARG 18 4.620 4.041 -3.313 147 HE ARG 18 HE ARG 18 6.289 5.559 -3.571 148 HH11 ARG 18 HH11 ARG 18 7.330 2.568 -5.065 149 HH12 ARG 18 HH12 ARG 18 8.812 3.233 -5.667 150 HH21 ARG 18 HH21 ARG 18 8.238 6.447 -4.373 151 HH22 ARG 18 HH22 ARG 18 9.328 5.448 -5.273 152 H GLY 19 H GLY 19 3.946 -1.533 -2.704 153 HA2 GLY 19 HA2 GLY 19 5.442 -3.397 -4.063 154 HA3 GLY 19 HA1 GLY 19 6.483 -2.842 -2.759 155 H THR 20 H THR 20 6.434 -4.902 -1.790 156 HA THR 20 HA THR 20 3.849 -5.690 -0.630 157 HB THR 20 HB THR 20 5.075 -7.883 -0.167 158 HG1 THR 20 HG1 THR 20 7.196 -6.927 -0.611 159 HG21 THR 20 HG12 THR 20 3.801 -8.500 -1.891 160 HG22 THR 20 HG22 THR 20 5.114 -8.050 -2.979 161 HG23 THR 20 HG23 THR 20 3.867 -6.873 -2.568 162 H CYS 21 H CYS 21 3.631 -5.914 1.580 163 HA CYS 21 HA CYS 21 5.956 -5.069 3.168 164 HB2 CYS 21 HB2 CYS 21 4.346 -4.148 4.806 165 HB3 CYS 21 HB1 CYS 21 4.264 -3.363 3.233 166 H GLY 22 H GLY 22 5.263 -7.775 2.422 167 HA2 GLY 22 HA2 GLY 22 5.975 -9.318 4.428 168 HA3 GLY 22 HA1 GLY 22 4.331 -8.956 4.931 169 H ILE 23 H ILE 23 4.204 -11.361 4.797 170 HA ILE 23 HA ILE 23 4.251 -12.618 2.241 171 HB ILE 23 HB ILE 23 4.663 -14.010 4.119 172 HG12 ILE 23 HG21 ILE 23 1.891 -14.656 3.095 173 HG13 ILE 23 HG11 ILE 23 3.395 -15.041 2.268 174 HG21 ILE 23 HG12 ILE 23 2.967 -12.434 5.520 175 HG22 ILE 23 HG22 ILE 23 3.592 -13.983 6.088 176 HG23 ILE 23 HG23 ILE 23 1.998 -13.896 5.338 177 HD11 ILE 23 HD11 ILE 23 3.118 -16.026 5.035 178 HD12 ILE 23 HD12 ILE 23 3.846 -16.790 3.622 179 HD13 ILE 23 HD13 ILE 23 2.092 -16.774 3.812 180 H ARG 24 H ARG 24 2.954 -11.733 0.783 181 HA ARG 24 HA ARG 24 1.079 -11.299 -0.407 182 HB2 ARG 24 HB2 ARG 24 -0.044 -13.103 1.695 183 HB3 ARG 24 HB1 ARG 24 -1.160 -12.193 0.689 184 HG2 ARG 24 HG2 ARG 24 -0.825 -14.405 -0.215 185 HG3 ARG 24 HG1 ARG 24 -0.163 -13.195 -1.312 186 HD2 ARG 24 HD2 ARG 24 2.081 -13.661 -0.512 187 HD3 ARG 24 HD1 ARG 24 1.446 -14.809 0.664 188 HE ARG 24 HE ARG 24 1.422 -16.378 -0.976 189 HH11 ARG 24 HH11 ARG 24 1.390 -13.236 -2.532 190 HH12 ARG 24 HH12 ARG 24 1.427 -13.887 -4.136 191 HH21 ARG 24 HH21 ARG 24 1.471 -17.238 -3.093 192 HH22 ARG 24 HH22 ARG 24 1.474 -16.168 -4.455 193 H PHE 25 H PHE 25 2.136 -9.472 1.467 194 HA PHE 25 HA PHE 25 -0.270 -7.974 2.269 195 HB2 PHE 25 HB2 PHE 25 2.495 -8.103 3.440 196 HB3 PHE 25 HB1 PHE 25 1.521 -6.655 3.654 197 HD1 PHE 25 HD1 PHE 25 1.322 -10.351 4.115 198 HD2 PHE 25 HD2 PHE 25 0.148 -6.497 5.471 199 HE1 PHE 25 HE1 PHE 25 0.207 -11.378 6.054 200 HE2 PHE 25 HE2 PHE 25 -0.968 -7.512 7.412 201 HZ PHE 25 HZ PHE 25 -0.945 -9.954 7.700 202 H LEU 26 H LEU 26 -0.628 -6.076 1.256 203 HA LEU 26 HA LEU 26 1.380 -5.222 -0.690 204 HB2 LEU 26 HB2 LEU 26 -1.558 -4.638 -0.435 205 HB3 LEU 26 HB1 LEU 26 -0.523 -3.777 -1.554 206 HG LEU 26 HG LEU 26 0.052 -6.071 -2.534 207 HD11 LEU 26 HD11 LEU 26 -1.083 -7.192 -0.470 208 HD12 LEU 26 HD12 LEU 26 -1.230 -7.922 -2.069 209 HD13 LEU 26 HD13 LEU 26 -2.560 -6.971 -1.409 210 HD21 LEU 26 HD21 LEU 26 -2.427 -6.092 -3.559 211 HD22 LEU 26 HD22 LEU 26 -1.195 -4.914 -4.010 212 HD23 LEU 26 HD23 LEU 26 -2.421 -4.493 -2.814 213 H TYR 27 H TYR 27 2.468 -3.419 -0.519 214 HA TYR 27 HA TYR 27 1.846 -1.578 1.695 215 HB2 TYR 27 HB2 TYR 27 4.161 -2.801 1.344 216 HB3 TYR 27 HB1 TYR 27 4.415 -1.555 0.129 217 HD1 TYR 27 HD2 TYR 27 2.782 -1.310 3.469 218 HD2 TYR 27 HD1 TYR 27 6.069 -0.179 1.019 219 HE1 TYR 27 HE2 TYR 27 3.564 0.209 5.234 220 HE2 TYR 27 HE1 TYR 27 6.866 1.342 2.781 221 HH TYR 27 HH TYR 27 5.027 2.383 5.281 222 H CYS 28 H CYS 28 0.655 0.125 0.976 223 HA CYS 28 HA CYS 28 1.400 1.278 -1.641 224 HB2 CYS 28 HB2 CYS 28 -1.442 1.321 -0.703 225 HB3 CYS 28 HB1 CYS 28 -0.808 1.439 -2.340 226 H CYS 29 H CYS 29 1.354 3.473 -1.834 227 HA CYS 29 HA CYS 29 1.014 4.972 0.663 228 HB2 CYS 29 HB2 CYS 29 2.649 5.358 -1.791 229 HB3 CYS 29 HB1 CYS 29 2.067 6.806 -0.980 230 HA PRO 30 HA PRO 30 -2.799 6.625 -0.848 231 HB2 PRO 30 HB2 PRO 30 -2.980 8.816 0.756 232 HB3 PRO 30 HB1 PRO 30 -3.303 7.174 1.321 233 HG2 PRO 30 HG2 PRO 30 -0.843 8.842 1.647 234 HG3 PRO 30 HG1 PRO 30 -1.638 7.774 2.819 235 HD2 PRO 30 HD2 PRO 30 0.579 7.050 1.427 236 HD3 PRO 30 HD1 PRO 30 -0.651 5.885 1.955 237 H ARG 31 H ARG 31 -3.083 7.677 -2.694 238 HA ARG 31 HA ARG 31 -2.142 10.364 -3.076 239 HB2 ARG 31 HB2 ARG 31 -0.186 8.784 -3.680 240 HB3 ARG 31 HB1 ARG 31 -1.158 8.322 -5.067 241 HG2 ARG 31 HG2 ARG 31 0.245 9.954 -5.917 242 HG3 ARG 31 HG1 ARG 31 -1.242 10.841 -5.586 243 HD2 ARG 31 HD2 ARG 31 1.178 10.734 -3.785 244 HD3 ARG 31 HD1 ARG 31 0.761 12.067 -4.860 245 HE ARG 31 HE ARG 31 -1.424 11.634 -3.201 246 HH11 ARG 31 HH11 ARG 31 1.912 12.632 -2.897 247 HH12 ARG 31 HH12 ARG 31 1.634 13.600 -1.488 248 HH21 ARG 31 HH21 ARG 31 -1.805 12.902 -1.336 249 HH22 ARG 31 HH22 ARG 31 -0.492 13.751 -0.595 250 H ARG 32 H ARG 32 -4.659 9.351 -2.905 251 HA ARG 32 HA ARG 32 -5.829 10.186 -5.356 252 HB2 ARG 32 HB2 ARG 32 -5.257 7.894 -6.014 253 HB3 ARG 32 HB1 ARG 32 -6.054 7.266 -4.579 254 HG2 ARG 32 HG2 ARG 32 -8.199 8.021 -5.403 255 HG3 ARG 32 HG1 ARG 32 -7.423 8.743 -6.816 256 HD2 ARG 32 HD2 ARG 32 -6.686 6.566 -7.567 257 HD3 ARG 32 HD1 ARG 32 -7.334 5.812 -6.111 258 HE ARG 32 HE ARG 32 -8.776 6.527 -8.466 259 HH11 ARG 32 HH11 ARG 32 -9.051 6.077 -5.006 260 HH12 ARG 32 HH12 ARG 32 -10.772 5.874 -5.041 261 HH21 ARG 32 HH21 ARG 32 -11.050 6.253 -8.520 262 HH22 ARG 32 HH22 ARG 32 -11.912 5.968 -7.046 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 6.692 11.697 6.613 2 H2 GLY 1 2HT GLY 1 7.341 12.805 5.512 3 H3 GLY 1 3HT GLY 1 7.046 11.209 5.031 4 HA2 GLY 1 HA1 GLY 1 4.678 12.395 6.049 5 HA3 GLY 1 HA2 GLY 1 5.354 13.352 4.736 6 H LEU 2 H LEU 2 2.897 11.834 4.690 7 HA LEU 2 HA LEU 2 1.725 10.426 3.355 8 HB2 LEU 2 HB2 LEU 2 2.947 11.795 1.623 9 HB3 LEU 2 HB1 LEU 2 4.126 10.502 1.527 10 HG LEU 2 HG LEU 2 2.260 8.959 0.850 11 HD11 LEU 2 HD11 LEU 2 0.660 11.412 0.246 12 HD12 LEU 2 HD12 LEU 2 0.517 10.613 1.811 13 HD13 LEU 2 HD13 LEU 2 0.141 9.730 0.331 14 HD21 LEU 2 HD21 LEU 2 2.886 9.351 -1.248 15 HD22 LEU 2 HD22 LEU 2 3.743 10.769 -0.644 16 HD23 LEU 2 HD23 LEU 2 2.098 10.929 -1.260 17 H LEU 3 H LEU 3 2.665 9.094 5.379 18 HA LEU 3 HA LEU 3 4.435 6.955 4.803 19 HB2 LEU 3 HB2 LEU 3 3.436 8.021 7.073 20 HB3 LEU 3 HB1 LEU 3 2.387 6.627 6.925 21 HG LEU 3 HG LEU 3 4.327 6.214 8.390 22 HD11 LEU 3 HD11 LEU 3 3.894 4.628 5.913 23 HD12 LEU 3 HD12 LEU 3 3.566 4.212 7.595 24 HD13 LEU 3 HD13 LEU 3 5.221 4.190 6.988 25 HD21 LEU 3 HD21 LEU 3 6.298 5.929 6.298 26 HD22 LEU 3 HD22 LEU 3 6.409 6.762 7.848 27 HD23 LEU 3 HD23 LEU 3 5.741 7.596 6.446 28 H CYS 4 H CYS 4 4.043 5.227 3.590 29 HA CYS 4 HA CYS 4 1.477 4.682 2.511 30 HB2 CYS 4 HB2 CYS 4 3.796 2.774 2.451 31 HB3 CYS 4 HB1 CYS 4 2.530 2.995 1.251 32 H TYR 5 H TYR 5 0.194 2.825 2.779 33 HA TYR 5 HA TYR 5 0.367 1.685 5.479 34 HB2 TYR 5 HB2 TYR 5 -2.118 1.227 5.113 35 HB3 TYR 5 HB1 TYR 5 -1.629 2.899 5.347 36 HD1 TYR 5 HD1 TYR 5 -2.117 0.495 2.518 37 HD2 TYR 5 HD2 TYR 5 -2.587 4.467 3.953 38 HE1 TYR 5 HE1 TYR 5 -3.233 1.108 0.424 39 HE2 TYR 5 HE2 TYR 5 -3.705 5.093 1.853 40 HH TYR 5 HH TYR 5 -3.482 3.775 -0.804 41 H CYS 6 H CYS 6 0.227 -0.396 5.907 42 HA CYS 6 HA CYS 6 0.692 -2.227 3.705 43 HB2 CYS 6 HB2 CYS 6 2.128 -2.437 5.658 44 HB3 CYS 6 HB1 CYS 6 0.728 -2.605 6.707 45 H ARG 7 H ARG 7 -1.007 -3.248 2.791 46 HA ARG 7 HA ARG 7 -3.367 -3.737 4.485 47 HB2 ARG 7 HB2 ARG 7 -3.375 -2.758 1.629 48 HB3 ARG 7 HB1 ARG 7 -4.803 -3.273 2.513 49 HG2 ARG 7 HG2 ARG 7 -3.064 -0.888 3.048 50 HG3 ARG 7 HG1 ARG 7 -4.764 -0.914 2.579 51 HD2 ARG 7 HD2 ARG 7 -3.596 -1.869 5.188 52 HD3 ARG 7 HD1 ARG 7 -4.547 -0.408 4.940 53 HE ARG 7 HE ARG 7 -6.186 -2.389 4.058 54 HH11 ARG 7 HH11 ARG 7 -4.390 -1.922 7.022 55 HH12 ARG 7 HH12 ARG 7 -5.560 -2.724 8.017 56 HH21 ARG 7 HH21 ARG 7 -7.740 -3.465 5.360 57 HH22 ARG 7 HH22 ARG 7 -7.472 -3.610 7.067 58 H LYS 8 H LYS 8 -4.391 -5.612 4.277 59 HA LYS 8 HA LYS 8 -3.096 -7.674 2.703 60 HB2 LYS 8 HB2 LYS 8 -3.589 -8.096 5.082 61 HB3 LYS 8 HB1 LYS 8 -5.295 -7.825 4.784 62 HG2 LYS 8 HG2 LYS 8 -3.878 -9.974 3.279 63 HG3 LYS 8 HG1 LYS 8 -4.334 -10.244 4.960 64 HD2 LYS 8 HD2 LYS 8 -6.674 -9.598 4.340 65 HD3 LYS 8 HD1 LYS 8 -6.158 -9.573 2.653 66 HE2 LYS 8 HE2 LYS 8 -7.186 -11.692 3.109 67 HE3 LYS 8 HE1 LYS 8 -5.455 -11.941 2.890 68 HZ1 LYS 8 HZ1 LYS 8 -6.953 -11.887 5.450 69 HZ2 LYS 8 HZ2 LYS 8 -5.264 -11.885 5.360 70 HZ3 LYS 8 HZ3 LYS 8 -6.141 -13.202 4.763 71 H GLY 9 H GLY 9 -3.814 -8.108 0.746 72 HA2 GLY 9 HA2 GLY 9 -5.397 -8.814 -0.820 73 HA3 GLY 9 HA1 GLY 9 -6.670 -8.234 0.236 74 H HIS 10 H HIS 10 -6.183 -5.560 0.522 75 HA HIS 10 HA HIS 10 -5.547 -4.390 -2.034 76 HB2 HIS 10 HB2 HIS 10 -7.866 -5.372 -2.310 77 HB3 HIS 10 HB1 HIS 10 -8.418 -4.196 -1.124 78 HD1 HIS 10 HD1 HIS 10 -6.413 -4.037 -4.366 79 HD2 HIS 10 HD2 HIS 10 -9.448 -2.028 -2.355 80 HE1 HIS 10 HE1 HIS 10 -7.085 -2.142 -5.878 81 H CYS 11 H CYS 11 -5.321 -2.205 -2.011 82 HA CYS 11 HA CYS 11 -4.753 -0.921 0.438 83 HB2 CYS 11 HB2 CYS 11 -5.265 0.652 -2.046 84 HB3 CYS 11 HB1 CYS 11 -3.952 0.794 -0.882 85 H LYS 12 H LYS 12 -5.829 0.981 1.352 86 HA LYS 12 HA LYS 12 -8.698 1.065 0.688 87 HB2 LYS 12 HB2 LYS 12 -9.116 1.618 3.068 88 HB3 LYS 12 HB1 LYS 12 -8.418 0.022 2.831 89 HG2 LYS 12 HG2 LYS 12 -6.375 0.639 3.735 90 HG3 LYS 12 HG1 LYS 12 -6.660 2.359 3.459 91 HD2 LYS 12 HD2 LYS 12 -8.169 0.653 5.440 92 HD3 LYS 12 HD1 LYS 12 -6.825 1.722 5.847 93 HE2 LYS 12 HE2 LYS 12 -8.101 3.638 5.009 94 HE3 LYS 12 HE1 LYS 12 -9.442 2.569 4.603 95 HZ1 LYS 12 HZ1 LYS 12 -9.873 2.155 6.853 96 HZ2 LYS 12 HZ2 LYS 12 -9.599 3.821 6.773 97 HZ3 LYS 12 HZ3 LYS 12 -8.392 2.795 7.361 98 H ARG 13 H ARG 13 -7.165 2.812 -0.713 99 HA ARG 13 HA ARG 13 -8.350 5.287 -0.126 100 HB2 ARG 13 HB2 ARG 13 -6.586 5.302 1.670 101 HB3 ARG 13 HB1 ARG 13 -5.370 5.290 0.401 102 HG2 ARG 13 HG2 ARG 13 -5.680 7.538 1.211 103 HG3 ARG 13 HG1 ARG 13 -6.270 7.423 -0.449 104 HD2 ARG 13 HD2 ARG 13 -8.564 7.195 0.399 105 HD3 ARG 13 HD1 ARG 13 -7.963 7.343 2.048 106 HE ARG 13 HE ARG 13 -7.143 9.590 0.537 107 HH11 ARG 13 HH11 ARG 13 -10.018 8.179 1.946 108 HH12 ARG 13 HH12 ARG 13 -10.816 9.698 2.163 109 HH21 ARG 13 HH21 ARG 13 -8.179 11.595 0.798 110 HH22 ARG 13 HH22 ARG 13 -9.764 11.654 1.514 111 H GLY 14 H GLY 14 -5.589 3.681 -1.625 112 HA2 GLY 14 HA2 GLY 14 -6.398 4.614 -4.220 113 HA3 GLY 14 HA1 GLY 14 -4.928 5.388 -3.642 114 H GLY 15 H GLY 15 -5.647 3.334 -5.802 115 HA2 GLY 15 HA2 GLY 15 -4.237 0.950 -5.067 116 HA3 GLY 15 HA1 GLY 15 -4.809 1.372 -6.673 117 H ARG 16 H ARG 16 -2.468 2.871 -4.447 118 HA ARG 16 HA ARG 16 -0.525 2.805 -6.652 119 HB2 ARG 16 HB2 ARG 16 -1.087 4.842 -4.555 120 HB3 ARG 16 HB1 ARG 16 0.580 4.641 -5.076 121 HG2 ARG 16 HG2 ARG 16 -1.781 5.335 -6.811 122 HG3 ARG 16 HG1 ARG 16 -0.443 6.394 -6.357 123 HD2 ARG 16 HD2 ARG 16 1.113 4.863 -7.524 124 HD3 ARG 16 HD1 ARG 16 -0.266 3.894 -8.040 125 HE ARG 16 HE ARG 16 -0.613 6.587 -8.829 126 HH11 ARG 16 HH11 ARG 16 1.220 3.714 -9.606 127 HH12 ARG 16 HH12 ARG 16 1.470 4.156 -11.262 128 HH21 ARG 16 HH21 ARG 16 -0.287 7.186 -11.026 129 HH22 ARG 16 HH22 ARG 16 0.610 6.137 -12.071 130 H VAL 17 H VAL 17 -0.244 0.564 -5.862 131 HA VAL 17 HA VAL 17 0.917 -0.007 -3.359 132 HB VAL 17 HB VAL 17 1.346 -1.561 -5.915 133 HG11 VAL 17 HG11 VAL 17 1.351 -3.476 -4.209 134 HG12 VAL 17 HG21 VAL 17 1.603 -2.214 -3.002 135 HG13 VAL 17 3HG1 VAL 17 2.776 -2.441 -4.300 136 HG21 VAL 17 HG12 VAL 17 -0.629 -2.918 -5.077 137 HG22 VAL 17 HG22 VAL 17 -0.994 -1.338 -5.769 138 HG23 VAL 17 HG23 VAL 17 -0.986 -1.554 -4.019 139 H ARG 18 H ARG 18 2.876 0.460 -2.625 140 HA ARG 18 HA ARG 18 4.870 1.515 -4.462 141 HB2 ARG 18 HB2 ARG 18 4.157 2.372 -2.038 142 HB3 ARG 18 HB1 ARG 18 5.409 1.237 -1.547 143 HG2 ARG 18 HG2 ARG 18 6.289 3.490 -1.782 144 HG3 ARG 18 HG1 ARG 18 7.027 2.397 -2.957 145 HD2 ARG 18 HD2 ARG 18 5.414 3.217 -4.653 146 HD3 ARG 18 HD1 ARG 18 4.796 4.364 -3.467 147 HE ARG 18 HE ARG 18 6.577 5.708 -3.900 148 HH11 ARG 18 HH11 ARG 18 7.333 2.491 -5.059 149 HH12 ARG 18 HH12 ARG 18 8.832 2.963 -5.785 150 HH21 ARG 18 HH21 ARG 18 8.558 6.343 -4.855 151 HH22 ARG 18 HH22 ARG 18 9.534 5.165 -5.668 152 H GLY 19 H GLY 19 4.251 -1.238 -2.428 153 HA2 GLY 19 HA2 GLY 19 6.055 -2.899 -3.809 154 HA3 GLY 19 HA1 GLY 19 6.805 -2.365 -2.309 155 H THR 20 H THR 20 6.715 -4.777 -1.970 156 HA THR 20 HA THR 20 4.084 -5.747 -1.191 157 HB THR 20 HB THR 20 5.435 -7.877 -0.693 158 HG1 THR 20 HG1 THR 20 7.517 -7.092 -0.712 159 HG21 THR 20 HG12 THR 20 4.745 -6.682 -3.310 160 HG22 THR 20 HG22 THR 20 4.194 -8.184 -2.570 161 HG23 THR 20 HG23 THR 20 5.775 -8.113 -3.347 162 H CYS 21 H CYS 21 3.471 -6.165 0.861 163 HA CYS 21 HA CYS 21 5.291 -5.267 2.987 164 HB2 CYS 21 HB2 CYS 21 3.156 -4.078 2.900 165 HB3 CYS 21 HB1 CYS 21 2.283 -5.605 2.980 166 H GLY 22 H GLY 22 6.243 -6.835 4.147 167 HA2 GLY 22 HA2 GLY 22 6.600 -8.879 5.156 168 HA3 GLY 22 HA1 GLY 22 4.859 -9.126 5.094 169 H ILE 23 H ILE 23 4.438 -10.968 4.106 170 HA ILE 23 HA ILE 23 5.690 -11.464 1.508 171 HB ILE 23 HB ILE 23 5.758 -13.932 2.071 172 HG12 ILE 23 HG21 ILE 23 5.563 -12.882 4.906 173 HG13 ILE 23 HG11 ILE 23 4.322 -13.817 4.081 174 HG21 ILE 23 HG12 ILE 23 7.918 -13.754 3.296 175 HG22 ILE 23 HG22 ILE 23 7.600 -12.033 3.512 176 HG23 ILE 23 HG23 ILE 23 7.799 -12.696 1.891 177 HD11 ILE 23 HD11 ILE 23 7.058 -14.958 4.326 178 HD12 ILE 23 HD12 ILE 23 5.497 -15.774 4.246 179 HD13 ILE 23 HD13 ILE 23 5.991 -14.960 5.729 180 H ARG 24 H ARG 24 3.170 -10.371 1.968 181 HA ARG 24 HA ARG 24 1.554 -11.930 0.329 182 HB2 ARG 24 HB2 ARG 24 1.528 -13.318 2.501 183 HB3 ARG 24 HB1 ARG 24 0.486 -12.049 3.133 184 HG2 ARG 24 HG2 ARG 24 -0.776 -13.971 2.278 185 HG3 ARG 24 HG1 ARG 24 -1.152 -12.480 1.411 186 HD2 ARG 24 HD2 ARG 24 0.286 -13.138 -0.420 187 HD3 ARG 24 HD1 ARG 24 0.802 -14.575 0.460 188 HE ARG 24 HE ARG 24 -1.588 -14.252 -1.071 189 HH11 ARG 24 HH11 ARG 24 -0.168 -15.973 1.623 190 HH12 ARG 24 HH12 ARG 24 -1.290 -17.290 1.547 191 HH21 ARG 24 HH21 ARG 24 -3.080 -15.990 -1.183 192 HH22 ARG 24 HH22 ARG 24 -2.953 -17.300 -0.057 193 H PHE 25 H PHE 25 1.855 -9.406 2.628 194 HA PHE 25 HA PHE 25 -0.692 -8.206 1.940 195 HB2 PHE 25 HB2 PHE 25 1.516 -7.395 3.832 196 HB3 PHE 25 HB1 PHE 25 0.123 -6.372 3.510 197 HD1 PHE 25 HD2 PHE 25 0.223 -10.073 3.944 198 HD2 PHE 25 HD1 PHE 25 -0.991 -6.317 5.536 199 HE1 PHE 25 HE2 PHE 25 -1.038 -11.232 5.707 200 HE2 PHE 25 HE1 PHE 25 -2.252 -7.471 7.303 201 HZ PHE 25 HZ PHE 25 -2.281 -9.930 7.389 202 H LEU 26 H LEU 26 -0.873 -6.050 1.111 203 HA LEU 26 HA LEU 26 1.284 -5.408 -0.776 204 HB2 LEU 26 HB2 LEU 26 -1.629 -4.603 -0.744 205 HB3 LEU 26 HB1 LEU 26 -0.461 -3.989 -1.892 206 HG LEU 26 HG LEU 26 -0.104 -6.436 -2.580 207 HD11 LEU 26 HD11 LEU 26 -1.667 -8.052 -2.029 208 HD12 LEU 26 HD12 LEU 26 -2.848 -6.867 -1.471 209 HD13 LEU 26 HD13 LEU 26 -1.420 -7.217 -0.496 210 HD21 LEU 26 HD21 LEU 26 -1.652 -6.198 -4.266 211 HD22 LEU 26 HD22 LEU 26 -1.494 -4.536 -3.698 212 HD23 LEU 26 HD23 LEU 26 -2.873 -5.512 -3.194 213 H TYR 27 H TYR 27 2.419 -3.559 -0.566 214 HA TYR 27 HA TYR 27 1.651 -1.774 1.635 215 HB2 TYR 27 HB2 TYR 27 3.977 -2.885 1.486 216 HB3 TYR 27 HB1 TYR 27 4.297 -1.736 0.190 217 HD1 TYR 27 HD1 TYR 27 2.618 -1.462 3.516 218 HD2 TYR 27 HD2 TYR 27 5.691 -0.049 0.937 219 HE1 TYR 27 HE1 TYR 27 3.233 0.228 5.189 220 HE2 TYR 27 HE2 TYR 27 6.318 1.647 2.606 221 HH TYR 27 HH TYR 27 4.349 2.345 5.333 222 H CYS 28 H CYS 28 0.097 -0.548 0.576 223 HA CYS 28 HA CYS 28 0.922 0.910 -1.832 224 HB2 CYS 28 HB2 CYS 28 -1.804 1.204 -0.666 225 HB3 CYS 28 HB1 CYS 28 -1.303 1.193 -2.351 226 H CYS 29 H CYS 29 0.994 3.139 -1.911 227 HA CYS 29 HA CYS 29 1.136 4.452 0.685 228 HB2 CYS 29 HB2 CYS 29 1.856 5.499 -2.063 229 HB3 CYS 29 HB1 CYS 29 2.188 6.303 -0.530 230 HA PRO 30 HA PRO 30 -2.869 6.217 0.271 231 HB2 PRO 30 HB2 PRO 30 -2.667 8.342 1.926 232 HB3 PRO 30 HB1 PRO 30 -2.702 6.675 2.516 233 HG2 PRO 30 HG2 PRO 30 -0.356 8.485 2.092 234 HG3 PRO 30 HG1 PRO 30 -0.702 7.404 3.455 235 HD2 PRO 30 HD2 PRO 30 1.013 6.752 1.452 236 HD3 PRO 30 HD1 PRO 30 0.057 5.545 2.334 237 H ARG 31 H ARG 31 -3.223 9.075 0.761 238 HA ARG 31 HA ARG 31 -1.951 10.673 -1.170 239 HB2 ARG 31 HB2 ARG 31 -3.864 10.907 -2.758 240 HB3 ARG 31 HB1 ARG 31 -3.121 9.313 -2.818 241 HG2 ARG 31 HG2 ARG 31 -4.914 8.372 -1.514 242 HG3 ARG 31 HG1 ARG 31 -5.627 9.968 -1.281 243 HD2 ARG 31 HD2 ARG 31 -6.801 8.700 -3.008 244 HD3 ARG 31 HD1 ARG 31 -6.045 10.150 -3.668 245 HE ARG 31 HE ARG 31 -4.246 8.057 -3.997 246 HH11 ARG 31 HH11 ARG 31 -7.445 8.927 -5.092 247 HH12 ARG 31 HH12 ARG 31 -7.290 8.134 -6.623 248 HH21 ARG 31 HH21 ARG 31 -4.020 6.993 -6.021 249 HH22 ARG 31 HH22 ARG 31 -5.331 7.027 -7.154 250 H ARG 32 H ARG 32 -4.301 12.266 -1.767 251 HA ARG 32 HA ARG 32 -4.650 13.496 0.841 252 HB2 ARG 32 HB2 ARG 32 -4.128 14.821 -1.267 253 HB3 ARG 32 HB1 ARG 32 -5.758 14.443 -1.809 254 HG2 ARG 32 HG2 ARG 32 -6.577 15.498 0.337 255 HG3 ARG 32 HG1 ARG 32 -4.931 16.089 0.561 256 HD2 ARG 32 HD2 ARG 32 -6.391 17.764 -0.480 257 HD3 ARG 32 HD1 ARG 32 -5.044 17.308 -1.518 258 HE ARG 32 HE ARG 32 -6.606 16.796 -3.074 259 HH11 ARG 32 HH11 ARG 32 -8.018 16.019 0.046 260 HH12 ARG 32 HH12 ARG 32 -9.539 15.542 -0.625 261 HH21 ARG 32 HH21 ARG 32 -8.623 16.181 -3.948 262 HH22 ARG 32 HH22 ARG 32 -9.887 15.643 -2.894 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 2.985 16.295 4.078 2 H2 GLY 1 2HT GLY 1 1.604 15.992 3.148 3 H3 GLY 1 3HT GLY 1 2.918 16.815 2.469 4 HA2 GLY 1 HA1 GLY 1 3.616 14.876 1.686 5 HA3 GLY 1 HA2 GLY 1 4.012 14.481 3.356 6 H LEU 2 H LEU 2 3.539 12.270 3.028 7 HA LEU 2 HA LEU 2 0.769 11.647 3.408 8 HB2 LEU 2 HB2 LEU 2 0.494 10.123 1.554 9 HB3 LEU 2 HB1 LEU 2 0.835 11.728 0.965 10 HG LEU 2 HG LEU 2 1.942 10.236 -0.478 11 HD11 LEU 2 HD11 LEU 2 3.410 12.096 0.966 12 HD12 LEU 2 HD12 LEU 2 3.804 11.396 -0.603 13 HD13 LEU 2 HD13 LEU 2 4.435 10.664 0.872 14 HD21 LEU 2 HD21 LEU 2 3.306 8.890 1.836 15 HD22 LEU 2 HD22 LEU 2 3.350 8.429 0.135 16 HD23 LEU 2 HD23 LEU 2 1.851 8.276 1.051 17 H LEU 3 H LEU 3 0.434 9.517 4.183 18 HA LEU 3 HA LEU 3 2.910 8.258 5.149 19 HB2 LEU 3 HB2 LEU 3 1.508 9.233 6.924 20 HB3 LEU 3 HB1 LEU 3 0.156 8.250 6.393 21 HG LEU 3 HG LEU 3 1.455 6.212 6.979 22 HD11 LEU 3 HD11 LEU 3 3.431 6.520 8.460 23 HD12 LEU 3 HD12 LEU 3 3.423 8.233 8.036 24 HD13 LEU 3 HD13 LEU 3 3.701 7.018 6.789 25 HD21 LEU 3 HD21 LEU 3 -0.103 6.854 8.594 26 HD22 LEU 3 HD22 LEU 3 0.823 8.281 9.056 27 HD23 LEU 3 HD23 LEU 3 1.400 6.674 9.499 28 H CYS 4 H CYS 4 3.300 6.235 4.536 29 HA CYS 4 HA CYS 4 1.548 4.910 2.712 30 HB2 CYS 4 HB2 CYS 4 4.046 3.883 4.059 31 HB3 CYS 4 HB1 CYS 4 3.245 3.151 2.677 32 H TYR 5 H TYR 5 0.897 2.609 3.016 33 HA TYR 5 HA TYR 5 0.508 1.785 5.764 34 HB2 TYR 5 HB2 TYR 5 -2.009 1.418 5.211 35 HB3 TYR 5 HB1 TYR 5 -1.449 2.994 5.752 36 HD1 TYR 5 HD2 TYR 5 -2.073 1.105 2.569 37 HD2 TYR 5 HD1 TYR 5 -2.095 4.856 4.577 38 HE1 TYR 5 HE2 TYR 5 -3.082 2.157 0.586 39 HE2 TYR 5 HE1 TYR 5 -3.106 5.913 2.606 40 HH TYR 5 HH TYR 5 -4.014 4.016 -0.245 41 H CYS 6 H CYS 6 0.342 -0.270 6.090 42 HA CYS 6 HA CYS 6 0.759 -2.059 3.846 43 HB2 CYS 6 HB2 CYS 6 2.183 -2.240 5.847 44 HB3 CYS 6 HB1 CYS 6 0.759 -2.538 6.834 45 H ARG 7 H ARG 7 -0.922 -3.209 2.984 46 HA ARG 7 HA ARG 7 -3.277 -3.634 4.704 47 HB2 ARG 7 HB2 ARG 7 -3.375 -2.778 1.808 48 HB3 ARG 7 HB1 ARG 7 -4.764 -3.176 2.805 49 HG2 ARG 7 HG2 ARG 7 -2.912 -0.823 3.092 50 HG3 ARG 7 HG1 ARG 7 -4.620 -0.809 2.655 51 HD2 ARG 7 HD2 ARG 7 -3.411 -1.514 5.318 52 HD3 ARG 7 HD1 ARG 7 -4.423 -0.128 4.939 53 HE ARG 7 HE ARG 7 -5.937 -2.352 4.337 54 HH11 ARG 7 HH11 ARG 7 -4.332 -1.086 7.170 55 HH12 ARG 7 HH12 ARG 7 -5.463 -1.773 8.288 56 HH21 ARG 7 HH21 ARG 7 -7.441 -3.287 5.814 57 HH22 ARG 7 HH22 ARG 7 -7.232 -3.033 7.514 58 H LYS 8 H LYS 8 -4.350 -5.512 4.493 59 HA LYS 8 HA LYS 8 -3.044 -7.634 3.008 60 HB2 LYS 8 HB2 LYS 8 -3.752 -7.927 5.363 61 HB3 LYS 8 HB1 LYS 8 -5.423 -7.752 4.875 62 HG2 LYS 8 HG2 LYS 8 -4.878 -10.084 5.191 63 HG3 LYS 8 HG1 LYS 8 -5.215 -9.769 3.488 64 HD2 LYS 8 HD2 LYS 8 -2.885 -9.776 2.957 65 HD3 LYS 8 HD1 LYS 8 -2.442 -9.834 4.663 66 HE2 LYS 8 HE2 LYS 8 -3.604 -12.046 4.798 67 HE3 LYS 8 HE1 LYS 8 -3.793 -11.986 3.046 68 HZ1 LYS 8 HZ1 LYS 8 -1.317 -11.728 2.936 69 HZ2 LYS 8 HZ2 LYS 8 -1.857 -13.237 3.490 70 HZ3 LYS 8 HZ3 LYS 8 -1.265 -12.099 4.588 71 H GLY 9 H GLY 9 -3.909 -5.980 1.248 72 HA2 GLY 9 HA2 GLY 9 -5.673 -7.423 -0.399 73 HA3 GLY 9 HA1 GLY 9 -6.562 -6.099 0.351 74 H HIS 10 H HIS 10 -6.841 -4.996 -1.648 75 HA HIS 10 HA HIS 10 -4.412 -4.183 -3.038 76 HB2 HIS 10 HB2 HIS 10 -6.446 -4.972 -4.296 77 HB3 HIS 10 HB1 HIS 10 -7.269 -3.511 -3.764 78 HD1 HIS 10 HD1 HIS 10 -3.909 -4.187 -5.457 79 HD2 HIS 10 HD2 HIS 10 -7.220 -1.691 -5.751 80 HE1 HIS 10 HE1 HIS 10 -3.438 -2.670 -7.406 81 H CYS 11 H CYS 11 -5.304 -3.211 -0.355 82 HA CYS 11 HA CYS 11 -5.105 -1.340 0.896 83 HB2 CYS 11 HB2 CYS 11 -4.016 -0.159 -1.662 84 HB3 CYS 11 HB1 CYS 11 -3.928 0.612 -0.080 85 H LYS 12 H LYS 12 -6.297 0.397 1.564 86 HA LYS 12 HA LYS 12 -8.692 0.927 0.002 87 HB2 LYS 12 HB2 LYS 12 -9.356 2.200 2.148 88 HB3 LYS 12 HB1 LYS 12 -9.298 0.446 2.197 89 HG2 LYS 12 HG2 LYS 12 -7.322 0.431 3.443 90 HG3 LYS 12 HG1 LYS 12 -6.967 2.116 3.076 91 HD2 LYS 12 HD2 LYS 12 -7.734 1.902 5.369 92 HD3 LYS 12 HD1 LYS 12 -8.916 2.800 4.420 93 HE2 LYS 12 HE2 LYS 12 -9.234 -0.152 4.741 94 HE3 LYS 12 HE1 LYS 12 -9.671 0.910 6.076 95 HZ1 LYS 12 HZ1 LYS 12 -11.637 0.721 4.922 96 HZ2 LYS 12 HZ2 LYS 12 -10.891 0.695 3.405 97 HZ3 LYS 12 HZ3 LYS 12 -11.010 2.147 4.263 98 H ARG 13 H ARG 13 -9.521 3.087 -0.218 99 HA ARG 13 HA ARG 13 -9.467 5.307 -0.685 100 HB2 ARG 13 HB2 ARG 13 -8.091 5.726 1.298 101 HB3 ARG 13 HB1 ARG 13 -6.643 5.292 0.399 102 HG2 ARG 13 HG2 ARG 13 -7.168 7.180 -1.167 103 HG3 ARG 13 HG1 ARG 13 -8.436 7.665 -0.045 104 HD2 ARG 13 HD2 ARG 13 -5.520 7.400 0.672 105 HD3 ARG 13 HD1 ARG 13 -6.305 8.914 0.232 106 HE ARG 13 HE ARG 13 -7.480 8.877 2.267 107 HH11 ARG 13 HH11 ARG 13 -5.270 6.182 1.952 108 HH12 ARG 13 HH12 ARG 13 -5.289 5.803 3.643 109 HH21 ARG 13 HH21 ARG 13 -7.519 8.373 4.502 110 HH22 ARG 13 HH22 ARG 13 -6.576 7.049 5.097 111 H GLY 14 H GLY 14 -6.495 3.568 -1.534 112 HA2 GLY 14 HA2 GLY 14 -6.960 3.995 -4.316 113 HA3 GLY 14 HA1 GLY 14 -5.679 5.037 -3.714 114 H GLY 15 H GLY 15 -6.018 2.431 -5.419 115 HA2 GLY 15 HA2 GLY 15 -4.311 0.552 -4.070 116 HA3 GLY 15 HA1 GLY 15 -4.893 0.438 -5.723 117 H ARG 16 H ARG 16 -2.889 2.810 -3.999 118 HA ARG 16 HA ARG 16 -1.046 2.881 -6.245 119 HB2 ARG 16 HB2 ARG 16 -1.366 4.515 -3.743 120 HB3 ARG 16 HB1 ARG 16 0.094 4.630 -4.716 121 HG2 ARG 16 HG2 ARG 16 -1.224 5.319 -6.641 122 HG3 ARG 16 HG1 ARG 16 -2.704 5.170 -5.689 123 HD2 ARG 16 HD2 ARG 16 -1.812 7.505 -5.910 124 HD3 ARG 16 HD1 ARG 16 -2.062 6.952 -4.255 125 HE ARG 16 HE ARG 16 0.165 7.227 -3.879 126 HH11 ARG 16 HH11 ARG 16 -0.295 6.990 -7.350 127 HH12 ARG 16 HH12 ARG 16 1.377 7.253 -7.714 128 HH21 ARG 16 HH21 ARG 16 2.350 7.582 -4.354 129 HH22 ARG 16 HH22 ARG 16 2.890 7.590 -6.001 130 H VAL 17 H VAL 17 -0.578 0.582 -5.750 131 HA VAL 17 HA VAL 17 0.815 -0.233 -3.470 132 HB VAL 17 HB VAL 17 1.594 -2.155 -4.849 133 HG11 VAL 17 HG11 VAL 17 -0.353 -2.944 -4.119 134 HG12 VAL 17 HG21 VAL 17 -1.050 -2.457 -5.664 135 HG13 VAL 17 3HG1 VAL 17 -1.124 -1.365 -4.280 136 HG21 VAL 17 HG12 VAL 17 -0.097 -1.321 -7.127 137 HG22 VAL 17 HG22 VAL 17 1.380 -2.284 -7.102 138 HG23 VAL 17 HG23 VAL 17 1.471 -0.527 -6.979 139 H ARG 18 H ARG 18 2.834 -0.135 -2.845 140 HA ARG 18 HA ARG 18 4.781 1.223 -4.578 141 HB2 ARG 18 HB2 ARG 18 4.325 2.357 -2.464 142 HB3 ARG 18 HB1 ARG 18 4.684 0.886 -1.572 143 HG2 ARG 18 HG2 ARG 18 7.010 1.002 -2.333 144 HG3 ARG 18 HG1 ARG 18 6.640 2.497 -3.200 145 HD2 ARG 18 HD2 ARG 18 6.015 3.571 -1.112 146 HD3 ARG 18 HD1 ARG 18 6.326 2.077 -0.233 147 HE ARG 18 HE ARG 18 8.659 2.764 -1.591 148 HH11 ARG 18 HH11 ARG 18 6.638 4.033 0.968 149 HH12 ARG 18 HH12 ARG 18 7.948 4.797 1.806 150 HH21 ARG 18 HH21 ARG 18 10.403 3.774 -0.490 151 HH22 ARG 18 HH22 ARG 18 10.098 4.652 0.970 152 H GLY 19 H GLY 19 4.163 -1.578 -2.580 153 HA2 GLY 19 HA2 GLY 19 5.819 -3.292 -4.039 154 HA3 GLY 19 HA1 GLY 19 6.731 -2.732 -2.643 155 H THR 20 H THR 20 6.700 -5.042 -2.066 156 HA THR 20 HA THR 20 4.140 -6.044 -1.121 157 HB THR 20 HB THR 20 5.651 -8.051 -0.465 158 HG1 THR 20 HG1 THR 20 7.603 -8.132 -1.562 159 HG21 THR 20 HG12 THR 20 4.063 -8.217 -2.255 160 HG22 THR 20 HG22 THR 20 5.594 -8.879 -2.827 161 HG23 THR 20 HG23 THR 20 5.092 -7.262 -3.324 162 H CYS 21 H CYS 21 3.607 -6.333 0.974 163 HA CYS 21 HA CYS 21 5.372 -5.079 2.952 164 HB2 CYS 21 HB2 CYS 21 3.070 -4.198 2.739 165 HB3 CYS 21 HB1 CYS 21 2.440 -5.784 3.172 166 H GLY 22 H GLY 22 6.232 -7.532 2.169 167 HA2 GLY 22 HA2 GLY 22 7.163 -9.254 3.496 168 HA3 GLY 22 HA1 GLY 22 5.830 -9.072 4.623 169 H ILE 23 H ILE 23 5.096 -11.114 4.718 170 HA ILE 23 HA ILE 23 4.841 -12.792 2.424 171 HB ILE 23 HB ILE 23 3.704 -13.190 5.192 172 HG12 ILE 23 HG21 ILE 23 6.144 -12.911 5.227 173 HG13 ILE 23 HG11 ILE 23 5.694 -14.571 5.599 174 HG21 ILE 23 HG12 ILE 23 3.462 -15.491 4.640 175 HG22 ILE 23 HG22 ILE 23 4.299 -15.276 3.102 176 HG23 ILE 23 HG23 ILE 23 2.703 -14.564 3.345 177 HD11 ILE 23 HD11 ILE 23 7.118 -15.231 4.044 178 HD12 ILE 23 HD12 ILE 23 7.403 -13.567 3.534 179 HD13 ILE 23 HD13 ILE 23 6.076 -14.489 2.830 180 H ARG 24 H ARG 24 3.424 -12.240 0.927 181 HA ARG 24 HA ARG 24 1.484 -11.784 -0.154 182 HB2 ARG 24 HB2 ARG 24 1.067 -14.030 1.081 183 HB3 ARG 24 HB1 ARG 24 0.006 -13.081 2.115 184 HG2 ARG 24 HG2 ARG 24 -1.289 -14.134 0.388 185 HG3 ARG 24 HG1 ARG 24 -1.270 -12.391 0.117 186 HD2 ARG 24 HD2 ARG 24 0.465 -12.663 -1.576 187 HD3 ARG 24 HD1 ARG 24 0.491 -14.401 -1.285 188 HE ARG 24 HE ARG 24 -2.125 -13.626 -1.951 189 HH11 ARG 24 HH11 ARG 24 1.031 -13.949 -3.424 190 HH12 ARG 24 HH12 ARG 24 0.408 -14.247 -5.012 191 HH21 ARG 24 HH21 ARG 24 -2.962 -14.024 -4.048 192 HH22 ARG 24 HH22 ARG 24 -1.872 -14.291 -5.368 193 H PHE 25 H PHE 25 2.278 -9.579 1.113 194 HA PHE 25 HA PHE 25 -0.253 -8.356 1.947 195 HB2 PHE 25 HB2 PHE 25 2.292 -8.428 3.467 196 HB3 PHE 25 HB1 PHE 25 1.493 -6.864 3.378 197 HD1 PHE 25 HD2 PHE 25 1.038 -10.383 4.427 198 HD2 PHE 25 HD1 PHE 25 -0.370 -6.378 4.690 199 HE1 PHE 25 HE2 PHE 25 -0.457 -11.032 6.271 200 HE2 PHE 25 HE1 PHE 25 -1.862 -7.017 6.537 201 HZ PHE 25 HZ PHE 25 -1.915 -9.348 7.320 202 H LEU 26 H LEU 26 -0.493 -6.191 1.271 203 HA LEU 26 HA LEU 26 1.520 -5.381 -0.710 204 HB2 LEU 26 HB2 LEU 26 -1.438 -4.860 -0.562 205 HB3 LEU 26 HB1 LEU 26 -0.383 -3.916 -1.594 206 HG LEU 26 HG LEU 26 0.315 -6.122 -2.667 207 HD11 LEU 26 HD11 LEU 26 -2.266 -7.218 -1.646 208 HD12 LEU 26 HD12 LEU 26 -0.790 -7.416 -0.700 209 HD13 LEU 26 HD13 LEU 26 -0.880 -8.060 -2.339 210 HD21 LEU 26 HD21 LEU 26 -1.632 -6.159 -4.130 211 HD22 LEU 26 HD22 LEU 26 -1.154 -4.504 -3.751 212 HD23 LEU 26 HD23 LEU 26 -2.548 -5.225 -2.948 213 H TYR 27 H TYR 27 2.548 -3.538 -0.538 214 HA TYR 27 HA TYR 27 1.905 -1.777 1.733 215 HB2 TYR 27 HB2 TYR 27 4.152 -2.889 1.692 216 HB3 TYR 27 HB1 TYR 27 4.494 -2.063 0.179 217 HD1 TYR 27 HD1 TYR 27 3.023 -0.888 3.416 218 HD2 TYR 27 HD2 TYR 27 6.128 -0.491 0.534 219 HE1 TYR 27 HE1 TYR 27 3.950 1.008 4.680 220 HE2 TYR 27 HE2 TYR 27 7.060 1.404 1.788 221 HH TYR 27 HH TYR 27 6.396 2.075 4.870 222 H CYS 28 H CYS 28 0.814 0.008 1.112 223 HA CYS 28 HA CYS 28 1.440 1.131 -1.544 224 HB2 CYS 28 HB2 CYS 28 -1.208 1.290 -0.102 225 HB3 CYS 28 HB1 CYS 28 -0.855 1.856 -1.731 226 H CYS 29 H CYS 29 1.211 3.402 -1.816 227 HA CYS 29 HA CYS 29 1.258 5.002 0.646 228 HB2 CYS 29 HB2 CYS 29 3.216 5.324 -1.642 229 HB3 CYS 29 HB1 CYS 29 3.135 6.326 -0.199 230 HA PRO 30 HA PRO 30 -1.668 7.208 -1.911 231 HB2 PRO 30 HB2 PRO 30 -2.285 9.150 -0.133 232 HB3 PRO 30 HB1 PRO 30 -2.874 7.491 0.028 233 HG2 PRO 30 HG2 PRO 30 -0.585 8.830 1.413 234 HG3 PRO 30 HG1 PRO 30 -1.816 7.741 2.080 235 HD2 PRO 30 HD2 PRO 30 0.695 6.925 1.419 236 HD3 PRO 30 HD1 PRO 30 -0.721 5.858 1.354 237 H ARG 31 H ARG 31 -1.634 10.139 -0.882 238 HA ARG 31 HA ARG 31 0.807 11.315 -1.703 239 HB2 ARG 31 HB2 ARG 31 0.127 10.621 -3.938 240 HB3 ARG 31 HB1 ARG 31 -1.469 11.322 -3.704 241 HG2 ARG 31 HG2 ARG 31 -0.068 13.525 -3.320 242 HG3 ARG 31 HG1 ARG 31 1.122 12.650 -4.286 243 HD2 ARG 31 HD2 ARG 31 -0.282 14.023 -5.717 244 HD3 ARG 31 HD1 ARG 31 -0.566 12.313 -6.038 245 HE ARG 31 HE ARG 31 -2.424 13.202 -4.121 246 HH11 ARG 31 HH11 ARG 31 -1.703 13.637 -7.521 247 HH12 ARG 31 HH12 ARG 31 -3.349 13.948 -7.957 248 HH21 ARG 31 HH21 ARG 31 -4.572 13.598 -4.666 249 HH22 ARG 31 HH22 ARG 31 -4.997 13.929 -6.324 250 H ARG 32 H ARG 32 -2.582 12.103 -2.299 251 HA ARG 32 HA ARG 32 -3.191 13.605 -0.083 252 HB2 ARG 32 HB2 ARG 32 -1.345 15.117 -0.819 253 HB3 ARG 32 HB1 ARG 32 -2.170 15.348 -2.352 254 HG2 ARG 32 HG2 ARG 32 -3.663 15.975 0.136 255 HG3 ARG 32 HG1 ARG 32 -2.383 17.077 -0.367 256 HD2 ARG 32 HD2 ARG 32 -3.445 17.455 -2.478 257 HD3 ARG 32 HD1 ARG 32 -4.622 16.178 -2.175 258 HE ARG 32 HE ARG 32 -4.720 18.885 -1.237 259 HH11 ARG 32 HH11 ARG 32 -5.826 15.601 -0.671 260 HH12 ARG 32 HH12 ARG 32 -7.141 16.099 0.354 261 HH21 ARG 32 HH21 ARG 32 -6.463 19.530 0.106 262 HH22 ARG 32 HH22 ARG 32 -7.504 18.330 0.792 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 1.852 9.157 8.832 2 H2 GLY 1 2HT GLY 1 2.704 7.699 8.777 3 H3 GLY 1 3HT GLY 1 2.061 8.355 7.358 4 HA2 GLY 1 HA1 GLY 1 3.628 10.364 8.311 5 HA3 GLY 1 HA2 GLY 1 4.554 8.903 8.640 6 H LEU 2 H LEU 2 6.113 9.270 7.063 7 HA LEU 2 HA LEU 2 5.304 9.757 4.349 8 HB2 LEU 2 HB2 LEU 2 7.623 9.874 3.786 9 HB3 LEU 2 HB1 LEU 2 7.357 10.774 5.255 10 HG LEU 2 HG LEU 2 9.432 9.730 5.519 11 HD11 LEU 2 HD11 LEU 2 8.264 7.572 7.015 12 HD12 LEU 2 HD12 LEU 2 7.378 9.077 7.257 13 HD13 LEU 2 HD13 LEU 2 9.112 9.014 7.575 14 HD21 LEU 2 HD21 LEU 2 9.017 8.092 3.627 15 HD22 LEU 2 HD22 LEU 2 8.355 7.016 4.857 16 HD23 LEU 2 HD23 LEU 2 10.033 7.549 4.962 17 H LEU 3 H LEU 3 6.142 7.028 6.295 18 HA LEU 3 HA LEU 3 6.580 5.227 4.125 19 HB2 LEU 3 HB2 LEU 3 6.652 3.478 5.759 20 HB3 LEU 3 HB1 LEU 3 7.541 4.853 6.378 21 HG LEU 3 HG LEU 3 4.693 4.308 7.196 22 HD11 LEU 3 HD11 LEU 3 7.039 2.772 7.825 23 HD12 LEU 3 HD12 LEU 3 5.365 2.512 8.313 24 HD13 LEU 3 HD13 LEU 3 6.409 3.558 9.273 25 HD21 LEU 3 HD21 LEU 3 6.735 5.604 8.921 26 HD22 LEU 3 HD22 LEU 3 4.999 5.891 8.811 27 HD23 LEU 3 HD23 LEU 3 6.080 6.535 7.575 28 H CYS 4 H CYS 4 5.215 3.714 3.276 29 HA CYS 4 HA CYS 4 2.434 4.393 3.252 30 HB2 CYS 4 HB2 CYS 4 3.829 2.006 2.031 31 HB3 CYS 4 HB1 CYS 4 2.210 2.568 1.646 32 H TYR 5 H TYR 5 0.732 2.719 3.578 33 HA TYR 5 HA TYR 5 1.217 1.367 6.102 34 HB2 TYR 5 HB2 TYR 5 -1.265 0.982 6.086 35 HB3 TYR 5 HB1 TYR 5 -0.778 2.670 6.097 36 HD1 TYR 5 HD1 TYR 5 -1.719 -0.012 3.657 37 HD2 TYR 5 HD2 TYR 5 -1.845 4.119 4.653 38 HE1 TYR 5 HE1 TYR 5 -3.135 0.409 1.696 39 HE2 TYR 5 HE2 TYR 5 -3.261 4.553 2.690 40 HH TYR 5 HH TYR 5 -3.833 3.598 0.587 41 H CYS 6 H CYS 6 1.072 -0.747 6.482 42 HA CYS 6 HA CYS 6 1.250 -2.464 4.131 43 HB2 CYS 6 HB2 CYS 6 3.083 -2.668 5.703 44 HB3 CYS 6 HB1 CYS 6 1.959 -2.942 7.027 45 H ARG 7 H ARG 7 -0.586 -3.390 3.523 46 HA ARG 7 HA ARG 7 -2.397 -4.470 5.575 47 HB2 ARG 7 HB2 ARG 7 -3.417 -3.000 3.138 48 HB3 ARG 7 HB1 ARG 7 -4.367 -3.644 4.464 49 HG2 ARG 7 HG2 ARG 7 -2.460 -1.322 4.614 50 HG3 ARG 7 HG1 ARG 7 -4.217 -1.222 4.557 51 HD2 ARG 7 HD2 ARG 7 -2.511 -2.379 6.747 52 HD3 ARG 7 HD1 ARG 7 -3.502 -0.929 6.821 53 HE ARG 7 HE ARG 7 -5.205 -3.030 6.213 54 HH11 ARG 7 HH11 ARG 7 -3.063 -2.135 8.817 55 HH12 ARG 7 HH12 ARG 7 -4.019 -2.885 10.051 56 HH21 ARG 7 HH21 ARG 7 -6.486 -4.047 7.844 57 HH22 ARG 7 HH22 ARG 7 -5.969 -3.977 9.495 58 H LYS 8 H LYS 8 -3.497 -6.335 4.953 59 HA LYS 8 HA LYS 8 -2.302 -7.887 2.904 60 HB2 LYS 8 HB2 LYS 8 -3.173 -9.032 4.819 61 HB3 LYS 8 HB1 LYS 8 -4.763 -8.322 4.599 62 HG2 LYS 8 HG2 LYS 8 -5.248 -9.688 2.763 63 HG3 LYS 8 HG1 LYS 8 -3.553 -10.122 2.530 64 HD2 LYS 8 HD2 LYS 8 -5.181 -10.896 4.948 65 HD3 LYS 8 HD1 LYS 8 -4.950 -11.932 3.537 66 HE2 LYS 8 HE2 LYS 8 -2.538 -11.895 3.895 67 HE3 LYS 8 HE1 LYS 8 -2.749 -10.828 5.282 68 HZ1 LYS 8 HZ1 LYS 8 -4.173 -12.668 6.233 69 HZ2 LYS 8 HZ2 LYS 8 -2.510 -12.967 6.160 70 HZ3 LYS 8 HZ3 LYS 8 -3.546 -13.663 5.019 71 H GLY 9 H GLY 9 -5.096 -5.882 3.133 72 HA2 GLY 9 HA2 GLY 9 -6.421 -6.699 0.764 73 HA3 GLY 9 HA1 GLY 9 -6.650 -5.167 1.601 74 H HIS 10 H HIS 10 -6.471 -5.676 -1.264 75 HA HIS 10 HA HIS 10 -3.920 -4.809 -2.191 76 HB2 HIS 10 HB2 HIS 10 -6.603 -5.022 -3.552 77 HB3 HIS 10 HB1 HIS 10 -5.153 -4.471 -4.382 78 HD1 HIS 10 HD1 HIS 10 -6.070 -6.783 -5.744 79 HD2 HIS 10 HD2 HIS 10 -3.965 -7.230 -2.186 80 HE1 HIS 10 HE1 HIS 10 -5.202 -9.144 -5.765 81 H CYS 11 H CYS 11 -3.899 -2.993 -0.595 82 HA CYS 11 HA CYS 11 -3.677 -0.768 -0.251 83 HB2 CYS 11 HB2 CYS 11 -4.779 -0.480 -3.050 84 HB3 CYS 11 HB1 CYS 11 -4.107 0.831 -2.089 85 H LYS 12 H LYS 12 -4.874 0.914 0.624 86 HA LYS 12 HA LYS 12 -7.768 0.411 0.694 87 HB2 LYS 12 HB2 LYS 12 -5.909 1.676 2.702 88 HB3 LYS 12 HB1 LYS 12 -7.656 1.833 2.814 89 HG2 LYS 12 HG2 LYS 12 -6.093 -0.741 2.884 90 HG3 LYS 12 HG1 LYS 12 -6.851 0.058 4.261 91 HD2 LYS 12 HD2 LYS 12 -8.204 -1.211 1.882 92 HD3 LYS 12 HD1 LYS 12 -8.297 -1.715 3.568 93 HE2 LYS 12 HE2 LYS 12 -9.389 0.851 2.411 94 HE3 LYS 12 HE1 LYS 12 -10.336 -0.560 2.874 95 HZ1 LYS 12 HZ1 LYS 12 -9.653 -0.231 5.162 96 HZ2 LYS 12 HZ2 LYS 12 -10.395 1.166 4.567 97 HZ3 LYS 12 HZ3 LYS 12 -8.713 1.106 4.723 98 H ARG 13 H ARG 13 -6.422 1.861 -1.393 99 HA ARG 13 HA ARG 13 -8.105 4.169 -1.466 100 HB2 ARG 13 HB2 ARG 13 -5.455 4.504 -0.438 101 HB3 ARG 13 HB1 ARG 13 -5.553 5.304 -2.001 102 HG2 ARG 13 HG2 ARG 13 -7.369 5.774 0.356 103 HG3 ARG 13 HG1 ARG 13 -6.089 6.848 -0.214 104 HD2 ARG 13 HD2 ARG 13 -7.262 7.153 -2.325 105 HD3 ARG 13 HD1 ARG 13 -8.523 6.036 -1.802 106 HE ARG 13 HE ARG 13 -8.322 8.083 0.094 107 HH11 ARG 13 HH11 ARG 13 -9.303 7.627 -3.231 108 HH12 ARG 13 HH12 ARG 13 -10.443 8.930 -3.215 109 HH21 ARG 13 HH21 ARG 13 -9.829 9.812 0.130 110 HH22 ARG 13 HH22 ARG 13 -10.743 10.181 -1.295 111 H GLY 14 H GLY 14 -7.714 1.820 -3.018 112 HA2 GLY 14 HA2 GLY 14 -7.782 1.266 -5.243 113 HA3 GLY 14 HA1 GLY 14 -7.652 2.978 -5.611 114 H GLY 15 H GLY 15 -6.153 2.958 -7.186 115 HA2 GLY 15 HA2 GLY 15 -3.822 1.312 -7.135 116 HA3 GLY 15 HA1 GLY 15 -4.164 2.598 -8.279 117 H ARG 16 H ARG 16 -3.128 2.056 -4.923 118 HA ARG 16 HA ARG 16 -1.259 4.301 -5.251 119 HB2 ARG 16 HB2 ARG 16 -3.097 3.791 -2.914 120 HB3 ARG 16 HB1 ARG 16 -1.678 4.823 -2.794 121 HG2 ARG 16 HG2 ARG 16 -3.996 5.243 -4.671 122 HG3 ARG 16 HG1 ARG 16 -3.715 6.114 -3.161 123 HD2 ARG 16 HD2 ARG 16 -1.668 7.049 -4.027 124 HD3 ARG 16 HD1 ARG 16 -1.799 6.076 -5.490 125 HE ARG 16 HE ARG 16 -3.159 7.671 -6.353 126 HH11 ARG 16 HH11 ARG 16 -3.242 7.985 -2.868 127 HH12 ARG 16 HH12 ARG 16 -4.252 9.390 -2.888 128 HH21 ARG 16 HH21 ARG 16 -4.491 9.527 -6.390 129 HH22 ARG 16 HH22 ARG 16 -4.963 10.274 -4.901 130 H VAL 17 H VAL 17 -0.838 1.495 -5.542 131 HA VAL 17 HA VAL 17 0.507 0.581 -3.160 132 HB VAL 17 HB VAL 17 -0.594 -1.088 -4.505 133 HG11 VAL 17 HG11 VAL 17 0.386 0.370 -6.691 134 HG12 VAL 17 HG21 VAL 17 -0.631 -1.070 -6.721 135 HG13 VAL 17 3HG1 VAL 17 1.125 -1.228 -6.791 136 HG21 VAL 17 HG12 VAL 17 1.159 -2.110 -3.430 137 HG22 VAL 17 HG22 VAL 17 2.379 -1.216 -4.337 138 HG23 VAL 17 HG23 VAL 17 1.490 -2.529 -5.111 139 H ARG 18 H ARG 18 2.611 0.725 -2.709 140 HA ARG 18 HA ARG 18 4.331 1.939 -4.761 141 HB2 ARG 18 HB2 ARG 18 4.352 2.250 -1.765 142 HB3 ARG 18 HB1 ARG 18 5.716 2.719 -2.771 143 HG2 ARG 18 HG2 ARG 18 2.936 3.861 -2.770 144 HG3 ARG 18 HG1 ARG 18 4.458 4.680 -2.401 145 HD2 ARG 18 HD2 ARG 18 5.167 4.230 -4.758 146 HD3 ARG 18 HD1 ARG 18 3.540 3.637 -5.075 147 HE ARG 18 HE ARG 18 3.447 6.247 -3.962 148 HH11 ARG 18 HH11 ARG 18 4.121 4.507 -6.924 149 HH12 ARG 18 HH12 ARG 18 3.816 5.869 -7.946 150 HH21 ARG 18 HH21 ARG 18 3.077 8.044 -5.271 151 HH22 ARG 18 HH22 ARG 18 3.210 7.902 -7.002 152 H GLY 19 H GLY 19 3.751 -0.848 -2.975 153 HA2 GLY 19 HA2 GLY 19 5.813 -2.298 -4.136 154 HA3 GLY 19 HA1 GLY 19 6.416 -1.749 -2.581 155 H THR 20 H THR 20 6.527 -4.165 -2.375 156 HA THR 20 HA THR 20 3.954 -5.302 -1.544 157 HB THR 20 HB THR 20 5.315 -7.481 -1.552 158 HG1 THR 20 HG1 THR 20 7.394 -6.711 -1.706 159 HG21 THR 20 HG12 THR 20 4.886 -7.856 -3.866 160 HG22 THR 20 HG22 THR 20 5.004 -6.135 -4.232 161 HG23 THR 20 HG23 THR 20 3.643 -6.746 -3.292 162 H CYS 21 H CYS 21 3.673 -6.099 0.507 163 HA CYS 21 HA CYS 21 5.722 -5.341 2.461 164 HB2 CYS 21 HB2 CYS 21 3.362 -4.458 2.661 165 HB3 CYS 21 HB1 CYS 21 2.864 -6.109 3.012 166 H GLY 22 H GLY 22 4.177 -7.224 4.293 167 HA2 GLY 22 HA2 GLY 22 5.992 -9.407 4.092 168 HA3 GLY 22 HA1 GLY 22 4.641 -9.290 5.206 169 H ILE 23 H ILE 23 4.271 -11.536 4.874 170 HA ILE 23 HA ILE 23 3.760 -12.684 2.358 171 HB ILE 23 HB ILE 23 2.573 -14.486 3.704 172 HG12 ILE 23 HG21 ILE 23 3.664 -12.868 6.022 173 HG13 ILE 23 HG11 ILE 23 1.958 -13.036 5.626 174 HG21 ILE 23 HG12 ILE 23 4.893 -14.948 4.949 175 HG22 ILE 23 HG22 ILE 23 5.407 -13.668 3.850 176 HG23 ILE 23 HG23 ILE 23 4.680 -15.142 3.209 177 HD11 ILE 23 HD11 ILE 23 2.945 -14.498 7.485 178 HD12 ILE 23 HD12 ILE 23 3.651 -15.440 6.173 179 HD13 ILE 23 HD13 ILE 23 1.900 -15.260 6.287 180 H ARG 24 H ARG 24 2.280 -11.917 1.052 181 HA ARG 24 HA ARG 24 0.275 -11.427 0.129 182 HB2 ARG 24 HB2 ARG 24 -0.793 -12.750 2.626 183 HB3 ARG 24 HB1 ARG 24 -1.815 -12.190 1.310 184 HG2 ARG 24 HG2 ARG 24 0.349 -14.274 1.082 185 HG3 ARG 24 HG1 ARG 24 -1.385 -14.590 1.181 186 HD2 ARG 24 HD2 ARG 24 -1.697 -13.277 -0.897 187 HD3 ARG 24 HD1 ARG 24 0.051 -13.088 -1.007 188 HE ARG 24 HE ARG 24 -1.477 -15.347 -1.799 189 HH11 ARG 24 HH11 ARG 24 1.631 -14.445 -0.455 190 HH12 ARG 24 HH12 ARG 24 2.426 -15.888 -0.986 191 HH21 ARG 24 HH21 ARG 24 -0.427 -17.253 -2.506 192 HH22 ARG 24 HH22 ARG 24 1.253 -17.488 -2.156 193 H PHE 25 H PHE 25 1.622 -9.422 1.417 194 HA PHE 25 HA PHE 25 -0.595 -7.712 2.303 195 HB2 PHE 25 HB2 PHE 25 2.080 -8.092 3.620 196 HB3 PHE 25 HB1 PHE 25 1.270 -6.537 3.721 197 HD1 PHE 25 HD1 PHE 25 0.614 -10.161 4.338 198 HD2 PHE 25 HD2 PHE 25 -0.154 -6.134 5.468 199 HE1 PHE 25 HE1 PHE 25 -0.696 -10.953 6.262 200 HE2 PHE 25 HE2 PHE 25 -1.467 -6.918 7.393 201 HZ PHE 25 HZ PHE 25 -1.741 -9.332 7.791 202 H LEU 26 H LEU 26 -0.548 -5.641 1.475 203 HA LEU 26 HA LEU 26 1.597 -5.136 -0.472 204 HB2 LEU 26 HB2 LEU 26 -1.276 -4.249 -0.433 205 HB3 LEU 26 HB1 LEU 26 -0.080 -3.534 -1.499 206 HG LEU 26 HG LEU 26 -1.032 -6.397 -1.502 207 HD11 LEU 26 HD11 LEU 26 -1.091 -4.793 -3.948 208 HD12 LEU 26 HD12 LEU 26 -2.148 -4.204 -2.665 209 HD13 LEU 26 HD13 LEU 26 -2.315 -5.858 -3.254 210 HD21 LEU 26 HD21 LEU 26 0.508 -6.151 -3.716 211 HD22 LEU 26 HD22 LEU 26 1.060 -6.855 -2.196 212 HD23 LEU 26 HD23 LEU 26 1.417 -5.169 -2.567 213 H TYR 27 H TYR 27 2.567 -3.182 -0.614 214 HA TYR 27 HA TYR 27 2.422 -1.490 1.780 215 HB2 TYR 27 HB2 TYR 27 4.597 -2.534 1.006 216 HB3 TYR 27 HB1 TYR 27 4.489 -1.541 -0.439 217 HD1 TYR 27 HD1 TYR 27 4.249 -1.022 3.266 218 HD2 TYR 27 HD2 TYR 27 5.837 0.299 -0.452 219 HE1 TYR 27 HE1 TYR 27 5.457 0.781 4.427 220 HE2 TYR 27 HE2 TYR 27 7.046 2.104 0.695 221 HH TYR 27 HH TYR 27 7.528 2.199 3.985 222 H CYS 28 H CYS 28 0.646 -0.168 1.302 223 HA CYS 28 HA CYS 28 0.877 1.437 -1.169 224 HB2 CYS 28 HB2 CYS 28 -1.698 0.873 0.292 225 HB3 CYS 28 HB1 CYS 28 -1.492 1.519 -1.331 226 H CYS 29 H CYS 29 0.647 3.632 -1.059 227 HA CYS 29 HA CYS 29 0.615 4.787 1.639 228 HB2 CYS 29 HB2 CYS 29 1.807 5.608 -0.953 229 HB3 CYS 29 HB1 CYS 29 1.243 6.896 0.103 230 HA PRO 30 HA PRO 30 -3.491 6.333 1.264 231 HB2 PRO 30 HB2 PRO 30 -2.528 8.756 2.664 232 HB3 PRO 30 HB1 PRO 30 -3.790 7.614 3.132 233 HG2 PRO 30 HG2 PRO 30 -1.421 7.664 4.378 234 HG3 PRO 30 HG1 PRO 30 -2.292 6.146 4.097 235 HD2 PRO 30 HD2 PRO 30 0.072 7.272 2.656 236 HD3 PRO 30 HD1 PRO 30 -0.298 5.588 3.079 237 H ARG 31 H ARG 31 -0.909 8.709 0.729 238 HA ARG 31 HA ARG 31 -2.067 9.515 -1.775 239 HB2 ARG 31 HB2 ARG 31 -2.180 11.932 -1.175 240 HB3 ARG 31 HB1 ARG 31 -3.381 10.950 -0.354 241 HG2 ARG 31 HG2 ARG 31 -2.187 11.059 1.700 242 HG3 ARG 31 HG1 ARG 31 -0.783 11.784 0.913 243 HD2 ARG 31 HD2 ARG 31 -2.118 13.765 0.368 244 HD3 ARG 31 HD1 ARG 31 -3.516 13.040 1.158 245 HE ARG 31 HE ARG 31 -1.313 14.372 2.411 246 HH11 ARG 31 HH11 ARG 31 -3.808 11.964 2.886 247 HH12 ARG 31 HH12 ARG 31 -3.793 12.094 4.611 248 HH21 ARG 31 HH21 ARG 31 -1.288 14.555 4.693 249 HH22 ARG 31 HH22 ARG 31 -2.356 13.575 5.643 250 H ARG 32 H ARG 32 0.183 8.270 -1.605 251 HA ARG 32 HA ARG 32 2.157 10.213 -2.396 252 HB2 ARG 32 HB2 ARG 32 2.654 10.185 -0.051 253 HB3 ARG 32 HB1 ARG 32 2.530 8.434 0.019 254 HG2 ARG 32 HG2 ARG 32 4.550 8.215 -1.305 255 HG3 ARG 32 HG1 ARG 32 4.661 9.971 -1.452 256 HD2 ARG 32 HD2 ARG 32 5.036 10.218 0.891 257 HD3 ARG 32 HD1 ARG 32 4.660 8.521 1.188 258 HE ARG 32 HE ARG 32 7.163 9.615 0.332 259 HH11 ARG 32 HH11 ARG 32 5.156 6.750 0.339 260 HH12 ARG 32 HH12 ARG 32 6.472 5.666 0.032 261 HH21 ARG 32 HH21 ARG 32 8.914 8.185 -0.068 262 HH22 ARG 32 HH22 ARG 32 8.615 6.485 -0.199
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