NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
23793 | 2jyd | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.017 12.062 1.316 2 H2 GLY 1 H2 GLY 1 0.071 10.754 0.800 3 H3 GLY 1 H3 GLY 1 1.740 10.558 1.018 4 HA2 GLY 1 HA3 GLY 1 -0.331 10.962 3.099 5 HA3 GLY 1 HA2 GLY 1 0.719 9.567 2.884 6 H SER 2 H SER 2 1.002 10.185 5.272 7 HA SER 2 HA SER 2 2.887 12.373 5.674 8 HB2 SER 2 HB2 SER 2 2.622 10.889 8.053 9 HB3 SER 2 HB3 SER 2 1.868 12.435 7.672 10 HG SER 2 HG SER 2 0.174 11.122 6.623 11 H MET 3 H MET 3 2.733 8.866 5.771 12 HA MET 3 HA MET 3 5.677 8.800 5.811 13 HB2 MET 3 HB2 MET 3 4.741 7.985 7.952 14 HB3 MET 3 HB3 MET 3 3.802 6.786 7.073 15 HG2 MET 3 HG2 MET 3 6.404 6.381 6.215 16 HG3 MET 3 HG3 MET 3 6.558 6.718 7.937 17 HE1 MET 3 HE1 MET 3 6.280 2.795 6.444 18 HE2 MET 3 HE2 MET 3 7.007 4.295 5.868 19 HE3 MET 3 HE3 MET 3 7.480 3.627 7.430 20 H ALA 4 H ALA 4 6.040 8.520 3.672 21 HA ALA 4 HA ALA 4 4.474 6.554 2.188 22 HB1 ALA 4 HB1 ALA 4 5.845 8.986 1.531 23 HB2 ALA 4 HB2 ALA 4 6.436 7.669 0.516 24 HB3 ALA 4 HB3 ALA 4 4.713 8.044 0.559 25 H ALA 5 H ALA 5 6.868 6.261 0.332 26 HA ALA 5 HA ALA 5 8.410 4.356 1.968 27 HB1 ALA 5 HB1 ALA 5 6.663 3.363 0.356 28 HB2 ALA 5 HB2 ALA 5 7.782 3.844 -0.919 29 HB3 ALA 5 HB3 ALA 5 8.299 2.706 0.324 30 H HIS 6 H HIS 6 10.313 3.554 0.324 31 HA HIS 6 HA HIS 6 12.049 5.778 0.053 32 HB2 HIS 6 HB2 HIS 6 12.798 3.426 0.436 33 HB3 HIS 6 HB3 HIS 6 12.319 3.042 -1.213 34 HD1 HIS 6 HD1 HIS 6 14.156 6.205 -0.292 35 HD2 HIS 6 HD2 HIS 6 14.868 2.545 -2.138 36 HE1 HIS 6 HE1 HIS 6 16.441 6.399 -1.329 37 HE2 HIS 6 HE2 HIS 6 16.924 4.112 -2.276 38 H SER 7 H SER 7 9.806 4.223 -2.077 39 HA SER 7 HA SER 7 10.770 5.585 -4.444 40 HB2 SER 7 HB2 SER 7 8.112 4.311 -4.518 41 HB3 SER 7 HB3 SER 7 9.492 4.111 -5.602 42 HG SER 7 HG SER 7 9.340 2.198 -4.554 43 H ALA 8 H ALA 8 9.972 7.210 -2.207 44 HA ALA 8 HA ALA 8 8.854 9.118 -1.733 45 HB1 ALA 8 HB1 ALA 8 9.636 9.453 -4.202 46 HB2 ALA 8 HB2 ALA 8 7.911 9.351 -4.553 47 HB3 ALA 8 HB3 ALA 8 8.517 10.594 -3.458 48 H ASP 9 H ASP 9 6.510 10.208 -2.902 49 HA ASP 9 HA ASP 9 4.509 8.394 -1.770 50 HB2 ASP 9 HB2 ASP 9 4.806 11.015 -1.328 51 HB3 ASP 9 HB3 ASP 9 3.811 11.126 -2.776 52 H LEU 10 H LEU 10 5.675 7.690 -4.191 53 HA LEU 10 HA LEU 10 3.612 8.198 -6.209 54 HB2 LEU 10 HB2 LEU 10 6.011 6.414 -6.558 55 HB3 LEU 10 HB3 LEU 10 5.055 7.205 -7.797 56 HG LEU 10 HG LEU 10 6.827 8.680 -5.850 57 HD11 LEU 10 HD11 LEU 10 8.590 8.476 -7.226 58 HD12 LEU 10 HD12 LEU 10 7.761 7.010 -7.752 59 HD13 LEU 10 HD13 LEU 10 7.593 8.500 -8.681 60 HD21 LEU 10 HD21 LEU 10 6.555 10.278 -7.998 61 HD22 LEU 10 HD22 LEU 10 4.990 9.461 -8.020 62 HD23 LEU 10 HD23 LEU 10 5.501 10.351 -6.584 63 H LYS 11 H LYS 11 4.815 5.908 -3.968 64 HA LYS 11 HA LYS 11 2.419 4.373 -4.292 65 HB2 LYS 11 HB2 LYS 11 3.545 2.200 -4.209 66 HB3 LYS 11 HB3 LYS 11 3.988 3.083 -5.660 67 HG2 LYS 11 HG2 LYS 11 6.108 2.692 -5.165 68 HG3 LYS 11 HG3 LYS 11 5.929 3.765 -3.777 69 HD2 LYS 11 HD2 LYS 11 6.795 1.310 -3.458 70 HD3 LYS 11 HD3 LYS 11 5.688 2.031 -2.291 71 HE2 LYS 11 HE2 LYS 11 4.073 0.863 -4.268 72 HE3 LYS 11 HE3 LYS 11 5.342 -0.310 -3.925 73 HZ1 LYS 11 HZ1 LYS 11 3.102 0.449 -2.322 74 HZ2 LYS 11 HZ2 LYS 11 4.551 0.618 -1.468 75 HZ3 LYS 11 HZ3 LYS 11 4.145 -0.878 -2.156 76 H CYS 12 H CYS 12 2.657 2.583 -2.434 77 HA CYS 12 HA CYS 12 2.795 4.193 -0.057 78 HB2 CYS 12 HB2 CYS 12 1.621 2.104 0.869 79 HB3 CYS 12 HB3 CYS 12 0.779 3.041 -0.358 80 HA PRO 13 HA PRO 13 6.272 2.550 2.070 81 HB2 PRO 13 HB2 PRO 13 4.489 1.430 4.172 82 HB3 PRO 13 HB3 PRO 13 5.852 2.539 4.332 83 HG2 PRO 13 HG2 PRO 13 3.366 3.427 4.551 84 HG3 PRO 13 HG3 PRO 13 4.601 4.383 3.709 85 HD2 PRO 13 HD2 PRO 13 2.381 2.736 2.580 86 HD3 PRO 13 HD3 PRO 13 3.035 4.288 2.020 87 H THR 14 H THR 14 3.569 0.223 2.259 88 HA THR 14 HA THR 14 5.094 -2.041 2.792 89 HB THR 14 HB THR 14 2.570 -2.181 1.171 90 HG1 THR 14 HG1 THR 14 1.510 -1.227 2.734 91 HG21 THR 14 HG21 THR 14 4.154 -3.983 2.833 92 HG22 THR 14 HG22 THR 14 2.928 -4.350 1.619 93 HG23 THR 14 HG23 THR 14 2.445 -3.964 3.271 94 HA PRO 15 HA PRO 15 7.211 -2.445 -1.130 95 HB2 PRO 15 HB2 PRO 15 8.221 -4.930 0.106 96 HB3 PRO 15 HB3 PRO 15 9.116 -3.538 -0.510 97 HG2 PRO 15 HG2 PRO 15 8.930 -3.975 2.102 98 HG3 PRO 15 HG3 PRO 15 8.843 -2.328 1.447 99 HD2 PRO 15 HD2 PRO 15 6.609 -4.128 2.338 100 HD3 PRO 15 HD3 PRO 15 6.868 -2.404 2.693 101 H GLY 16 H GLY 16 5.453 -5.084 0.440 102 HA2 GLY 16 HA2 GLY 16 5.317 -6.671 -1.943 103 HA3 GLY 16 HA3 GLY 16 4.455 -6.971 -0.442 104 H CYS 17 H CYS 17 3.474 -4.127 -0.575 105 HA CYS 17 HA CYS 17 1.185 -4.623 -2.303 106 HB2 CYS 17 HB2 CYS 17 0.806 -3.875 0.008 107 HB3 CYS 17 HB3 CYS 17 1.739 -2.421 -0.306 108 H ASP 18 H ASP 18 0.450 -2.787 -3.679 109 HA ASP 18 HA ASP 18 2.804 -1.588 -4.963 110 HB2 ASP 18 HB2 ASP 18 1.883 -1.960 -7.037 111 HB3 ASP 18 HB3 ASP 18 1.196 -3.315 -6.149 112 H GLY 19 H GLY 19 -0.485 -0.913 -3.876 113 HA2 GLY 19 HA2 GLY 19 -0.641 1.377 -2.866 114 HA3 GLY 19 HA3 GLY 19 0.067 1.946 -4.370 115 H SER 20 H SER 20 -1.723 -0.320 -5.617 116 HA SER 20 HA SER 20 -4.019 1.455 -5.964 117 HB2 SER 20 HB2 SER 20 -3.608 -1.140 -7.431 118 HB3 SER 20 HB3 SER 20 -4.488 0.298 -7.952 119 HG SER 20 HG SER 20 -1.700 -0.172 -7.867 120 H GLY 21 H GLY 21 -6.073 0.934 -5.353 121 HA2 GLY 21 HA2 GLY 21 -7.792 -0.490 -4.576 122 HA3 GLY 21 HA3 GLY 21 -6.582 -1.703 -4.192 123 H HIS 22 H HIS 22 -8.005 -1.713 -2.236 124 HA HIS 22 HA HIS 22 -6.627 -0.394 -0.084 125 HB2 HIS 22 HB2 HIS 22 -9.363 0.465 -0.886 126 HB3 HIS 22 HB3 HIS 22 -9.106 0.184 0.828 127 HD1 HIS 22 HD1 HIS 22 -7.964 1.960 2.138 128 HD2 HIS 22 HD2 HIS 22 -7.794 2.649 -1.959 129 HE1 HIS 22 HE1 HIS 22 -7.162 4.323 1.884 130 HE2 HIS 22 HE2 HIS 22 -7.268 4.783 -0.588 131 H ILE 23 H ILE 23 -7.126 -1.411 1.963 132 HA ILE 23 HA ILE 23 -7.917 -4.148 1.795 133 HB ILE 23 HB ILE 23 -6.587 -2.636 3.683 134 HG12 ILE 23 HG12 ILE 23 -6.287 -5.027 3.223 135 HG13 ILE 23 HG13 ILE 23 -6.413 -4.718 4.951 136 HG21 ILE 23 HG21 ILE 23 -9.084 -2.118 4.443 137 HG22 ILE 23 HG22 ILE 23 -8.849 -3.640 5.302 138 HG23 ILE 23 HG23 ILE 23 -7.754 -2.288 5.588 139 HD11 ILE 23 HD11 ILE 23 -8.912 -5.407 3.535 140 HD12 ILE 23 HD12 ILE 23 -7.712 -6.688 3.726 141 HD13 ILE 23 HD13 ILE 23 -8.352 -5.861 5.147 142 H THR 24 H THR 24 -9.434 -1.154 2.282 143 HA THR 24 HA THR 24 -11.938 -1.903 3.306 144 HB THR 24 HB THR 24 -11.632 0.334 1.362 145 HG1 THR 24 HG1 THR 24 -10.678 0.683 3.999 146 HG21 THR 24 HG21 THR 24 -13.401 1.127 2.419 147 HG22 THR 24 HG22 THR 24 -12.672 0.868 4.004 148 HG23 THR 24 HG23 THR 24 -13.512 -0.452 3.191 149 H GLY 25 H GLY 25 -11.040 -0.992 0.001 150 HA2 GLY 25 HA2 GLY 25 -11.756 -2.011 -2.021 151 HA3 GLY 25 HA3 GLY 25 -12.950 -2.924 -1.102 152 H ASN 26 H ASN 26 -12.214 0.524 -1.121 153 HA ASN 26 HA ASN 26 -14.894 1.112 -2.159 154 HB2 ASN 26 HB2 ASN 26 -13.836 1.697 0.554 155 HB3 ASN 26 HB3 ASN 26 -14.753 2.975 -0.216 156 HD21 ASN 26 HD21 ASN 26 -14.862 -0.283 0.970 157 HD22 ASN 26 HD22 ASN 26 -16.576 -0.373 1.085 158 H TYR 27 H TYR 27 -11.743 1.532 -2.597 159 HA TYR 27 HA TYR 27 -12.080 4.223 -3.716 160 HB2 TYR 27 HB2 TYR 27 -9.583 3.410 -2.212 161 HB3 TYR 27 HB3 TYR 27 -9.971 4.995 -2.863 162 HD1 TYR 27 HD1 TYR 27 -10.717 2.589 -0.175 163 HD2 TYR 27 HD2 TYR 27 -11.384 6.517 -1.665 164 HE1 TYR 27 HE1 TYR 27 -11.688 3.236 1.982 165 HE2 TYR 27 HE2 TYR 27 -12.356 7.176 0.498 166 HH TYR 27 HH TYR 27 -12.675 6.573 2.637 167 H ALA 28 H ALA 28 -9.807 4.677 -4.941 168 HA ALA 28 HA ALA 28 -9.567 2.420 -6.798 169 HB1 ALA 28 HB1 ALA 28 -8.926 5.345 -7.069 170 HB2 ALA 28 HB2 ALA 28 -8.464 4.142 -8.274 171 HB3 ALA 28 HB3 ALA 28 -10.168 4.418 -7.911 172 H SER 29 H SER 29 -7.594 4.591 -4.796 173 HA SER 29 HA SER 29 -5.512 2.611 -4.660 174 HB2 SER 29 HB2 SER 29 -4.004 4.832 -5.464 175 HB3 SER 29 HB3 SER 29 -4.256 3.340 -6.365 176 HG SER 29 HG SER 29 -6.147 5.447 -6.472 177 H HIS 30 H HIS 30 -3.529 3.596 -3.493 178 HA HIS 30 HA HIS 30 -4.174 5.731 -1.622 179 HB2 HIS 30 HB2 HIS 30 -3.571 4.333 0.325 180 HB3 HIS 30 HB3 HIS 30 -5.011 3.722 -0.476 181 HD1 HIS 30 HD1 HIS 30 -4.764 1.418 -1.756 182 HD2 HIS 30 HD2 HIS 30 -1.364 2.688 0.276 183 HE1 HIS 30 HE1 HIS 30 -3.154 -0.547 -1.725 184 H ARG 31 H ARG 31 -2.089 5.916 -0.080 185 HA ARG 31 HA ARG 31 0.342 5.203 -1.529 186 HB2 ARG 31 HB2 ARG 31 -0.049 8.044 -0.604 187 HB3 ARG 31 HB3 ARG 31 1.219 7.401 -1.636 188 HG2 ARG 31 HG2 ARG 31 -1.314 6.930 -2.866 189 HG3 ARG 31 HG3 ARG 31 -1.198 8.627 -2.397 190 HD2 ARG 31 HD2 ARG 31 0.035 8.982 -4.209 191 HD3 ARG 31 HD3 ARG 31 1.291 7.977 -3.490 192 HE ARG 31 HE ARG 31 0.800 6.351 -5.003 193 HH11 ARG 31 HH12 ARG 31 -1.936 8.539 -4.839 194 HH12 ARG 31 HH11 ARG 31 -2.774 7.787 -6.162 195 HH21 ARG 31 HH22 ARG 31 -0.305 5.363 -6.744 196 HH22 ARG 31 HH21 ARG 31 -1.847 5.998 -7.254 197 H SER 32 H SER 32 -1.047 4.583 1.084 198 HA SER 32 HA SER 32 1.326 4.807 2.724 199 HB2 SER 32 HB2 SER 32 -1.343 5.722 3.790 200 HB3 SER 32 HB3 SER 32 0.211 5.782 4.604 201 HG SER 32 HG SER 32 0.473 7.069 2.304 202 H LEU 33 H LEU 33 0.905 3.592 4.879 203 HA LEU 33 HA LEU 33 0.016 0.974 4.191 204 HB2 LEU 33 HB2 LEU 33 1.403 2.291 6.400 205 HB3 LEU 33 HB3 LEU 33 0.373 0.971 6.918 206 HG LEU 33 HG LEU 33 2.141 0.387 4.630 207 HD11 LEU 33 HD11 LEU 33 4.145 0.366 5.760 208 HD12 LEU 33 HD12 LEU 33 3.406 1.849 6.368 209 HD13 LEU 33 HD13 LEU 33 3.374 0.381 7.347 210 HD21 LEU 33 HD21 LEU 33 1.257 -1.011 7.142 211 HD22 LEU 33 HD22 LEU 33 0.814 -1.377 5.475 212 HD23 LEU 33 HD23 LEU 33 2.455 -1.685 6.039 213 H SER 34 H SER 34 -1.706 3.629 5.111 214 HA SER 34 HA SER 34 -3.552 2.387 6.923 215 HB2 SER 34 HB2 SER 34 -4.701 4.701 5.765 216 HB3 SER 34 HB3 SER 34 -3.940 4.555 7.351 217 HG SER 34 HG SER 34 -2.202 5.521 6.619 218 H GLY 35 H GLY 35 -3.144 2.628 3.526 219 HA2 GLY 35 HA2 GLY 35 -5.914 1.719 3.097 220 HA3 GLY 35 HA3 GLY 35 -4.952 2.582 1.908 221 H CYS 36 H CYS 36 -2.750 0.594 3.123 222 HA CYS 36 HA CYS 36 -2.596 -1.049 0.893 223 HB2 CYS 36 HB2 CYS 36 -1.413 -1.266 3.654 224 HB3 CYS 36 HB3 CYS 36 -1.070 -2.460 2.403 225 HA PRO 37 HA PRO 37 -5.710 -4.084 2.106 226 HB2 PRO 37 HB2 PRO 37 -5.978 -5.207 -0.316 227 HB3 PRO 37 HB3 PRO 37 -6.708 -3.637 0.064 228 HG2 PRO 37 HG2 PRO 37 -4.187 -4.246 -1.446 229 HG3 PRO 37 HG3 PRO 37 -5.441 -3.038 -1.795 230 HD2 PRO 37 HD2 PRO 37 -3.052 -2.468 -0.543 231 HD3 PRO 37 HD3 PRO 37 -4.533 -1.512 -0.361 232 H ARG 38 H ARG 38 -2.526 -4.268 0.996 233 HA ARG 38 HA ARG 38 -2.354 -7.111 1.735 234 HB2 ARG 38 HB2 ARG 38 -0.567 -5.542 -0.131 235 HB3 ARG 38 HB3 ARG 38 -0.283 -7.200 0.377 236 HG2 ARG 38 HG2 ARG 38 -1.683 -8.006 -1.147 237 HG3 ARG 38 HG3 ARG 38 -2.932 -6.825 -0.740 238 HD2 ARG 38 HD2 ARG 38 -0.938 -5.358 -2.007 239 HD3 ARG 38 HD3 ARG 38 -1.063 -6.850 -2.936 240 HE ARG 38 HE ARG 38 -3.648 -6.087 -2.620 241 HH11 ARG 38 HH12 ARG 38 -0.774 -4.477 -3.772 242 HH12 ARG 38 HH11 ARG 38 -1.614 -3.455 -4.903 243 HH21 ARG 38 HH22 ARG 38 -4.787 -4.762 -4.130 244 HH22 ARG 38 HH21 ARG 38 -3.899 -3.626 -5.105 245 H ALA 39 H ALA 39 -2.224 -4.504 3.299 246 HA ALA 39 HA ALA 39 0.358 -3.888 4.108 247 HB1 ALA 39 HB1 ALA 39 -1.364 -2.455 4.827 248 HB2 ALA 39 HB2 ALA 39 -2.240 -3.771 5.609 249 HB3 ALA 39 HB3 ALA 39 -0.717 -3.201 6.287 250 H LYS 40 H LYS 40 1.750 -5.440 4.533 251 HA LYS 40 HA LYS 40 2.759 -7.286 5.378 252 HB2 LYS 40 HB2 LYS 40 1.303 -6.177 7.760 253 HB3 LYS 40 HB3 LYS 40 2.278 -7.632 7.900 254 HG2 LYS 40 HG2 LYS 40 3.787 -6.023 8.514 255 HG3 LYS 40 HG3 LYS 40 4.125 -6.156 6.788 256 HD2 LYS 40 HD2 LYS 40 3.820 -3.946 6.687 257 HD3 LYS 40 HD3 LYS 40 2.102 -4.271 6.922 258 HE2 LYS 40 HE2 LYS 40 3.580 -4.283 9.420 259 HE3 LYS 40 HE3 LYS 40 3.731 -2.751 8.563 260 HZ1 LYS 40 HZ1 LYS 40 1.045 -3.638 8.505 261 HZ2 LYS 40 HZ2 LYS 40 1.685 -2.208 9.162 262 HZ3 LYS 40 HZ3 LYS 40 1.601 -3.616 10.105 263 H LYS 41 H LYS 41 0.368 -7.757 3.959 264 HA LYS 41 HA LYS 41 -1.099 -9.803 5.423 265 HB2 LYS 41 HB2 LYS 41 -1.736 -7.974 3.388 266 HB3 LYS 41 HB3 LYS 41 -1.816 -9.560 2.635 267 HG2 LYS 41 HG2 LYS 41 -3.120 -9.741 5.137 268 HG3 LYS 41 HG3 LYS 41 -3.710 -8.289 4.320 269 HD2 LYS 41 HD2 LYS 41 -3.761 -9.990 2.258 270 HD3 LYS 41 HD3 LYS 41 -3.991 -11.142 3.576 271 HE2 LYS 41 HE2 LYS 41 -6.161 -10.607 3.325 272 HE3 LYS 41 HE3 LYS 41 -5.728 -9.210 4.307 273 HZ1 LYS 41 HZ1 LYS 41 -6.991 -8.620 2.303 274 HZ2 LYS 41 HZ2 LYS 41 -5.751 -9.247 1.334 275 HZ3 LYS 41 HZ3 LYS 41 -5.457 -7.902 2.321 276 H SER 42 H SER 42 0.917 -11.095 5.542 277 HA SER 42 HA SER 42 2.061 -12.973 5.023 278 HB2 SER 42 HB2 SER 42 0.290 -13.253 2.588 279 HB3 SER 42 HB3 SER 42 1.225 -14.522 3.385 280 HG SER 42 HG SER 42 -0.253 -13.528 5.276 281 H GLY 43 H GLY 43 1.306 -11.521 1.843 282 HA2 GLY 43 HA2 GLY 43 4.111 -11.711 1.066 283 HA3 GLY 43 HA3 GLY 43 2.784 -11.140 0.064 284 H LEU 44 H LEU 44 4.569 -10.266 3.000 285 HA LEU 44 HA LEU 44 3.874 -7.489 2.727 286 HB2 LEU 44 HB2 LEU 44 5.791 -7.449 4.612 287 HB3 LEU 44 HB3 LEU 44 4.109 -7.818 4.936 288 HG LEU 44 HG LEU 44 5.214 -10.289 4.299 289 HD11 LEU 44 HD11 LEU 44 7.436 -9.023 4.538 290 HD12 LEU 44 HD12 LEU 44 7.071 -9.005 6.264 291 HD13 LEU 44 HD13 LEU 44 7.236 -10.541 5.415 292 HD21 LEU 44 HD21 LEU 44 4.062 -8.915 6.571 293 HD22 LEU 44 HD22 LEU 44 3.896 -10.596 6.064 294 HD23 LEU 44 HD23 LEU 44 5.263 -10.110 7.064 295 H ARG 45 H ARG 45 6.673 -9.482 2.016 296 HA ARG 45 HA ARG 45 7.819 -7.231 0.549 297 HB2 ARG 45 HB2 ARG 45 8.778 -7.561 2.978 298 HB3 ARG 45 HB3 ARG 45 9.673 -8.874 2.226 299 HG2 ARG 45 HG2 ARG 45 10.755 -7.387 0.724 300 HG3 ARG 45 HG3 ARG 45 9.705 -6.049 1.197 301 HD2 ARG 45 HD2 ARG 45 11.080 -7.245 3.461 302 HD3 ARG 45 HD3 ARG 45 12.200 -6.640 2.241 303 HE ARG 45 HE ARG 45 10.339 -5.072 3.858 304 HH11 ARG 45 HH12 ARG 45 12.663 -5.155 1.232 305 HH12 ARG 45 HH11 ARG 45 12.943 -3.438 1.264 306 HH21 ARG 45 HH22 ARG 45 10.687 -2.821 3.889 307 HH22 ARG 45 HH21 ARG 45 11.811 -2.106 2.769 308 H VAL 46 H VAL 46 7.932 -7.981 -1.446 309 HA VAL 46 HA VAL 46 9.074 -10.657 -1.875 310 HB VAL 46 HB VAL 46 6.970 -9.437 -3.670 311 HG11 VAL 46 HG11 VAL 46 6.800 -11.984 -4.233 312 HG12 VAL 46 HG12 VAL 46 8.076 -10.998 -4.945 313 HG13 VAL 46 HG13 VAL 46 8.431 -12.037 -3.565 314 HG21 VAL 46 HG21 VAL 46 5.831 -11.640 -2.424 315 HG22 VAL 46 HG22 VAL 46 6.635 -10.769 -1.118 316 HG23 VAL 46 HG23 VAL 46 5.445 -9.945 -2.127 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 5.125 13.602 -6.271 2 H2 GLY 1 H2 GLY 1 3.738 14.570 -6.166 3 H3 GLY 1 H3 GLY 1 4.259 13.996 -7.675 4 HA2 GLY 1 HA3 GLY 1 2.310 12.854 -6.345 5 HA3 GLY 1 HA2 GLY 1 3.400 11.952 -7.388 6 H SER 2 H SER 2 5.682 11.833 -5.884 7 HA SER 2 HA SER 2 5.173 9.711 -4.148 8 HB2 SER 2 HB2 SER 2 7.643 11.285 -3.697 9 HB3 SER 2 HB3 SER 2 7.443 9.558 -4.002 10 HG SER 2 HG SER 2 7.377 9.921 -6.155 11 H MET 3 H MET 3 4.787 9.558 -1.999 12 HA MET 3 HA MET 3 4.021 11.985 -0.628 13 HB2 MET 3 HB2 MET 3 2.614 9.990 -0.455 14 HB3 MET 3 HB3 MET 3 3.947 9.092 0.256 15 HG2 MET 3 HG2 MET 3 3.649 9.983 2.292 16 HG3 MET 3 HG3 MET 3 3.218 11.571 1.653 17 HE1 MET 3 HE1 MET 3 2.421 9.323 3.811 18 HE2 MET 3 HE2 MET 3 0.697 9.567 4.101 19 HE3 MET 3 HE3 MET 3 1.250 8.169 3.179 20 H ALA 4 H ALA 4 6.337 9.349 -0.106 21 HA ALA 4 HA ALA 4 7.673 10.887 1.984 22 HB1 ALA 4 HB1 ALA 4 7.610 8.662 2.608 23 HB2 ALA 4 HB2 ALA 4 7.909 8.085 0.967 24 HB3 ALA 4 HB3 ALA 4 9.222 8.798 1.903 25 H ALA 5 H ALA 5 10.081 11.081 1.866 26 HA ALA 5 HA ALA 5 10.740 12.345 -0.636 27 HB1 ALA 5 HB1 ALA 5 12.027 13.626 0.632 28 HB2 ALA 5 HB2 ALA 5 11.457 12.714 2.033 29 HB3 ALA 5 HB3 ALA 5 12.942 12.234 1.212 30 H HIS 6 H HIS 6 10.530 9.993 -1.567 31 HA HIS 6 HA HIS 6 13.186 9.391 -2.392 32 HB2 HIS 6 HB2 HIS 6 13.308 7.054 -1.870 33 HB3 HIS 6 HB3 HIS 6 13.011 7.928 -0.377 34 HD1 HIS 6 HD1 HIS 6 11.915 5.056 -2.215 35 HD2 HIS 6 HD2 HIS 6 10.128 7.766 0.379 36 HE1 HIS 6 HE1 HIS 6 9.833 3.920 -1.376 37 HE2 HIS 6 HE2 HIS 6 8.658 5.670 0.005 38 H SER 7 H SER 7 13.235 8.703 -4.442 39 HA SER 7 HA SER 7 11.109 9.347 -6.022 40 HB2 SER 7 HB2 SER 7 12.778 7.478 -7.427 41 HB3 SER 7 HB3 SER 7 12.705 9.236 -7.573 42 HG SER 7 HG SER 7 14.463 9.385 -6.434 43 H ALA 8 H ALA 8 11.838 6.157 -4.732 44 HA ALA 8 HA ALA 8 10.051 4.788 -6.504 45 HB1 ALA 8 HB1 ALA 8 10.391 2.902 -4.803 46 HB2 ALA 8 HB2 ALA 8 11.789 3.461 -5.722 47 HB3 ALA 8 HB3 ALA 8 11.565 3.982 -4.051 48 H ASP 9 H ASP 9 9.301 6.928 -4.183 49 HA ASP 9 HA ASP 9 7.137 5.455 -2.924 50 HB2 ASP 9 HB2 ASP 9 8.610 7.424 -1.928 51 HB3 ASP 9 HB3 ASP 9 7.357 8.415 -2.672 52 H LEU 10 H LEU 10 6.803 5.362 -5.586 53 HA LEU 10 HA LEU 10 4.848 7.396 -6.357 54 HB2 LEU 10 HB2 LEU 10 4.766 6.244 -8.495 55 HB3 LEU 10 HB3 LEU 10 6.430 6.576 -8.052 56 HG LEU 10 HG LEU 10 5.607 3.947 -7.149 57 HD11 LEU 10 HD11 LEU 10 5.568 4.380 -10.129 58 HD12 LEU 10 HD12 LEU 10 5.294 2.871 -9.255 59 HD13 LEU 10 HD13 LEU 10 4.122 4.184 -9.141 60 HD21 LEU 10 HD21 LEU 10 7.826 5.217 -8.656 61 HD22 LEU 10 HD22 LEU 10 7.869 4.199 -7.216 62 HD23 LEU 10 HD23 LEU 10 7.612 3.472 -8.803 63 H LYS 11 H LYS 11 4.827 5.031 -4.320 64 HA LYS 11 HA LYS 11 2.030 4.357 -4.691 65 HB2 LYS 11 HB2 LYS 11 2.486 1.962 -4.273 66 HB3 LYS 11 HB3 LYS 11 3.241 2.516 -5.754 67 HG2 LYS 11 HG2 LYS 11 5.309 2.116 -5.012 68 HG3 LYS 11 HG3 LYS 11 4.951 2.698 -3.386 69 HD2 LYS 11 HD2 LYS 11 4.385 0.643 -2.633 70 HD3 LYS 11 HD3 LYS 11 3.645 0.173 -4.165 71 HE2 LYS 11 HE2 LYS 11 5.655 -0.503 -5.078 72 HE3 LYS 11 HE3 LYS 11 6.604 0.502 -3.983 73 HZ1 LYS 11 HZ1 LYS 11 5.358 -1.195 -2.298 74 HZ2 LYS 11 HZ2 LYS 11 6.940 -1.394 -2.886 75 HZ3 LYS 11 HZ3 LYS 11 5.646 -2.189 -3.641 76 H CYS 12 H CYS 12 2.142 2.460 -2.491 77 HA CYS 12 HA CYS 12 2.239 4.353 -0.321 78 HB2 CYS 12 HB2 CYS 12 1.392 2.413 0.997 79 HB3 CYS 12 HB3 CYS 12 0.399 2.792 -0.408 80 HA PRO 13 HA PRO 13 6.126 3.317 1.551 81 HB2 PRO 13 HB2 PRO 13 4.625 2.536 4.004 82 HB3 PRO 13 HB3 PRO 13 5.917 3.710 3.809 83 HG2 PRO 13 HG2 PRO 13 3.450 4.547 4.147 84 HG3 PRO 13 HG3 PRO 13 4.493 5.338 2.943 85 HD2 PRO 13 HD2 PRO 13 2.337 3.295 2.531 86 HD3 PRO 13 HD3 PRO 13 2.671 4.776 1.609 87 H THR 14 H THR 14 3.616 1.009 1.446 88 HA THR 14 HA THR 14 5.049 -1.170 2.637 89 HB THR 14 HB THR 14 2.560 -1.437 0.972 90 HG1 THR 14 HG1 THR 14 1.461 -0.360 2.426 91 HG21 THR 14 HG21 THR 14 2.121 -3.056 2.991 92 HG22 THR 14 HG22 THR 14 3.875 -2.982 3.168 93 HG23 THR 14 HG23 THR 14 3.164 -3.556 1.659 94 HA PRO 15 HA PRO 15 7.196 -2.249 -1.126 95 HB2 PRO 15 HB2 PRO 15 8.149 -4.535 0.467 96 HB3 PRO 15 HB3 PRO 15 9.069 -3.234 -0.289 97 HG2 PRO 15 HG2 PRO 15 8.793 -3.333 2.349 98 HG3 PRO 15 HG3 PRO 15 8.737 -1.785 1.482 99 HD2 PRO 15 HD2 PRO 15 6.450 -3.457 2.493 100 HD3 PRO 15 HD3 PRO 15 6.722 -1.709 2.673 101 H GLY 16 H GLY 16 5.432 -4.674 0.788 102 HA2 GLY 16 HA2 GLY 16 5.366 -6.574 -1.358 103 HA3 GLY 16 HA3 GLY 16 4.509 -6.700 0.169 104 H CYS 17 H CYS 17 3.542 -3.863 -0.536 105 HA CYS 17 HA CYS 17 1.237 -4.711 -2.123 106 HB2 CYS 17 HB2 CYS 17 0.822 -3.866 0.125 107 HB3 CYS 17 HB3 CYS 17 1.705 -2.398 -0.234 108 H ASP 18 H ASP 18 0.492 -3.278 -3.836 109 HA ASP 18 HA ASP 18 2.787 -2.047 -5.145 110 HB2 ASP 18 HB2 ASP 18 1.865 -2.625 -7.157 111 HB3 ASP 18 HB3 ASP 18 1.126 -3.854 -6.140 112 H GLY 19 H GLY 19 0.113 -1.044 -3.418 113 HA2 GLY 19 HA2 GLY 19 -0.170 1.246 -2.854 114 HA3 GLY 19 HA3 GLY 19 0.508 1.685 -4.414 115 H SER 20 H SER 20 -1.434 -0.540 -5.474 116 HA SER 20 HA SER 20 -3.661 1.329 -5.816 117 HB2 SER 20 HB2 SER 20 -3.463 -1.253 -7.317 118 HB3 SER 20 HB3 SER 20 -4.114 0.299 -7.839 119 HG SER 20 HG SER 20 -1.501 -0.654 -7.881 120 H GLY 21 H GLY 21 -5.759 0.813 -5.328 121 HA2 GLY 21 HA2 GLY 21 -7.526 -0.576 -4.609 122 HA3 GLY 21 HA3 GLY 21 -6.348 -1.798 -4.145 123 H HIS 22 H HIS 22 -7.962 -1.673 -2.274 124 HA HIS 22 HA HIS 22 -6.580 -0.384 -0.097 125 HB2 HIS 22 HB2 HIS 22 -9.221 0.615 -1.018 126 HB3 HIS 22 HB3 HIS 22 -9.062 0.343 0.709 127 HD1 HIS 22 HD1 HIS 22 -8.097 2.200 2.021 128 HD2 HIS 22 HD2 HIS 22 -7.244 2.560 -2.028 129 HE1 HIS 22 HE1 HIS 22 -7.044 4.459 1.754 130 HE2 HIS 22 HE2 HIS 22 -6.771 4.754 -0.731 131 H ILE 23 H ILE 23 -7.108 -1.356 1.920 132 HA ILE 23 HA ILE 23 -8.111 -4.018 1.748 133 HB ILE 23 HB ILE 23 -6.508 -2.676 3.531 134 HG12 ILE 23 HG12 ILE 23 -6.738 -5.155 2.888 135 HG13 ILE 23 HG13 ILE 23 -6.161 -4.772 4.505 136 HG21 ILE 23 HG21 ILE 23 -9.228 -2.790 4.665 137 HG22 ILE 23 HG22 ILE 23 -7.910 -3.310 5.716 138 HG23 ILE 23 HG23 ILE 23 -7.891 -1.693 5.011 139 HD11 ILE 23 HD11 ILE 23 -7.906 -6.630 4.205 140 HD12 ILE 23 HD12 ILE 23 -8.131 -5.460 5.505 141 HD13 ILE 23 HD13 ILE 23 -9.057 -5.309 4.012 142 H THR 24 H THR 24 -9.484 -0.931 2.288 143 HA THR 24 HA THR 24 -11.938 -1.888 3.465 144 HB THR 24 HB THR 24 -10.939 0.399 3.908 145 HG1 THR 24 HG1 THR 24 -12.900 0.812 4.553 146 HG21 THR 24 HG21 THR 24 -12.337 1.513 1.574 147 HG22 THR 24 HG22 THR 24 -10.844 0.651 1.208 148 HG23 THR 24 HG23 THR 24 -10.822 2.006 2.335 149 H GLY 25 H GLY 25 -10.672 -1.460 0.294 150 HA2 GLY 25 HA2 GLY 25 -11.556 -1.969 -1.762 151 HA3 GLY 25 HA3 GLY 25 -12.908 -2.695 -0.909 152 H ASN 26 H ASN 26 -12.283 0.606 -0.228 153 HA ASN 26 HA ASN 26 -14.699 1.320 -1.719 154 HB2 ASN 26 HB2 ASN 26 -13.455 2.289 0.827 155 HB3 ASN 26 HB3 ASN 26 -14.549 3.349 -0.058 156 HD21 ASN 26 HD21 ASN 26 -14.294 0.910 2.206 157 HD22 ASN 26 HD22 ASN 26 -15.950 0.435 2.261 158 H TYR 27 H TYR 27 -11.475 1.602 -2.210 159 HA TYR 27 HA TYR 27 -11.765 4.228 -3.508 160 HB2 TYR 27 HB2 TYR 27 -9.439 3.216 -1.870 161 HB3 TYR 27 HB3 TYR 27 -9.395 4.660 -2.860 162 HD1 TYR 27 HD2 TYR 27 -10.847 3.139 0.162 163 HD2 TYR 27 HD1 TYR 27 -10.425 6.702 -2.133 164 HE1 TYR 27 HE2 TYR 27 -11.726 4.451 2.041 165 HE2 TYR 27 HE1 TYR 27 -11.301 8.022 -0.253 166 HH TYR 27 HH TYR 27 -12.340 7.918 1.750 167 H ALA 28 H ALA 28 -9.428 4.505 -4.766 168 HA ALA 28 HA ALA 28 -9.347 2.192 -6.585 169 HB1 ALA 28 HB1 ALA 28 -8.952 3.612 -8.347 170 HB2 ALA 28 HB2 ALA 28 -9.957 4.635 -7.320 171 HB3 ALA 28 HB3 ALA 28 -8.206 4.845 -7.328 172 H SER 29 H SER 29 -7.283 4.532 -4.887 173 HA SER 29 HA SER 29 -5.192 2.546 -4.675 174 HB2 SER 29 HB2 SER 29 -3.700 4.728 -5.543 175 HB3 SER 29 HB3 SER 29 -4.022 3.259 -6.463 176 HG SER 29 HG SER 29 -5.407 4.298 -7.683 177 H HIS 30 H HIS 30 -3.224 3.613 -3.498 178 HA HIS 30 HA HIS 30 -4.012 5.771 -1.700 179 HB2 HIS 30 HB2 HIS 30 -3.375 4.412 0.293 180 HB3 HIS 30 HB3 HIS 30 -4.828 3.835 -0.509 181 HD1 HIS 30 HD1 HIS 30 -4.533 1.589 -1.965 182 HD2 HIS 30 HD2 HIS 30 -1.347 2.617 0.504 183 HE1 HIS 30 HE1 HIS 30 -3.035 -0.450 -1.834 184 H ARG 31 H ARG 31 -2.124 6.223 -0.123 185 HA ARG 31 HA ARG 31 0.474 5.706 -1.415 186 HB2 ARG 31 HB2 ARG 31 -0.501 8.397 -0.428 187 HB3 ARG 31 HB3 ARG 31 1.126 8.057 -0.993 188 HG2 ARG 31 HG2 ARG 31 -1.236 7.581 -2.764 189 HG3 ARG 31 HG3 ARG 31 -0.532 9.191 -2.591 190 HD2 ARG 31 HD2 ARG 31 1.094 8.669 -4.006 191 HD3 ARG 31 HD3 ARG 31 1.556 7.287 -3.012 192 HE ARG 31 HE ARG 31 0.355 5.895 -4.403 193 HH11 ARG 31 HH12 ARG 31 -0.205 9.248 -5.297 194 HH12 ARG 31 HH11 ARG 31 -1.046 8.838 -6.767 195 HH21 ARG 31 HH22 ARG 31 -0.716 5.362 -6.322 196 HH22 ARG 31 HH21 ARG 31 -1.359 6.619 -7.342 197 H SER 32 H SER 32 -1.192 5.083 1.223 198 HA SER 32 HA SER 32 1.104 5.473 3.018 199 HB2 SER 32 HB2 SER 32 -1.570 5.498 4.274 200 HB3 SER 32 HB3 SER 32 -0.139 6.464 4.636 201 HG SER 32 HG SER 32 -0.898 7.253 2.279 202 H LEU 33 H LEU 33 0.925 4.023 5.010 203 HA LEU 33 HA LEU 33 0.624 1.338 4.097 204 HB2 LEU 33 HB2 LEU 33 1.178 2.398 6.868 205 HB3 LEU 33 HB3 LEU 33 1.336 0.724 6.381 206 HG LEU 33 HG LEU 33 2.913 2.565 4.739 207 HD11 LEU 33 HD11 LEU 33 4.206 2.140 7.329 208 HD12 LEU 33 HD12 LEU 33 4.200 3.559 6.282 209 HD13 LEU 33 HD13 LEU 33 2.847 3.266 7.375 210 HD21 LEU 33 HD21 LEU 33 2.889 -0.057 5.065 211 HD22 LEU 33 HD22 LEU 33 4.372 0.818 4.678 212 HD23 LEU 33 HD23 LEU 33 4.039 0.338 6.344 213 H SER 34 H SER 34 -1.701 3.410 5.096 214 HA SER 34 HA SER 34 -3.124 1.740 6.930 215 HB2 SER 34 HB2 SER 34 -4.686 3.858 5.677 216 HB3 SER 34 HB3 SER 34 -4.266 3.621 7.374 217 HG SER 34 HG SER 34 -3.384 5.554 6.338 218 H GLY 35 H GLY 35 -3.803 2.835 3.596 219 HA2 GLY 35 HA2 GLY 35 -6.072 1.029 3.463 220 HA3 GLY 35 HA3 GLY 35 -5.598 2.204 2.251 221 H CYS 36 H CYS 36 -3.425 -0.222 3.554 222 HA CYS 36 HA CYS 36 -2.879 -1.211 0.913 223 HB2 CYS 36 HB2 CYS 36 -1.851 -1.882 3.664 224 HB3 CYS 36 HB3 CYS 36 -1.377 -2.814 2.244 225 HA PRO 37 HA PRO 37 -5.954 -4.509 1.275 226 HB2 PRO 37 HB2 PRO 37 -5.630 -5.419 -1.257 227 HB3 PRO 37 HB3 PRO 37 -6.619 -4.006 -0.873 228 HG2 PRO 37 HG2 PRO 37 -3.846 -4.140 -1.964 229 HG3 PRO 37 HG3 PRO 37 -5.162 -3.026 -2.372 230 HD2 PRO 37 HD2 PRO 37 -3.074 -2.387 -0.712 231 HD3 PRO 37 HD3 PRO 37 -4.675 -1.625 -0.635 232 H ARG 38 H ARG 38 -2.622 -4.494 0.468 233 HA ARG 38 HA ARG 38 -2.353 -7.364 1.038 234 HB2 ARG 38 HB2 ARG 38 -0.481 -5.372 -0.236 235 HB3 ARG 38 HB3 ARG 38 0.088 -6.918 0.371 236 HG2 ARG 38 HG2 ARG 38 -0.570 -7.948 -1.475 237 HG3 ARG 38 HG3 ARG 38 -2.204 -7.294 -1.313 238 HD2 ARG 38 HD2 ARG 38 -0.619 -5.144 -2.112 239 HD3 ARG 38 HD3 ARG 38 -0.078 -6.508 -3.090 240 HE ARG 38 HE ARG 38 -2.565 -6.799 -3.582 241 HH11 ARG 38 HH12 ARG 38 -1.220 -3.657 -2.778 242 HH12 ARG 38 HH11 ARG 38 -2.239 -2.801 -3.898 243 HH21 ARG 38 HH22 ARG 38 -3.919 -5.667 -5.037 244 HH22 ARG 38 HH21 ARG 38 -3.794 -3.935 -5.151 245 H ALA 39 H ALA 39 -3.162 -5.680 3.018 246 HA ALA 39 HA ALA 39 -1.516 -4.206 4.507 247 HB1 ALA 39 HB1 ALA 39 -3.770 -4.440 5.172 248 HB2 ALA 39 HB2 ALA 39 -3.574 -6.164 5.487 249 HB3 ALA 39 HB3 ALA 39 -2.784 -4.981 6.530 250 H LYS 40 H LYS 40 0.387 -4.425 5.236 251 HA LYS 40 HA LYS 40 1.996 -6.608 5.350 252 HB2 LYS 40 HB2 LYS 40 3.473 -5.298 6.769 253 HB3 LYS 40 HB3 LYS 40 2.766 -4.276 5.526 254 HG2 LYS 40 HG2 LYS 40 1.592 -4.429 8.282 255 HG3 LYS 40 HG3 LYS 40 2.942 -3.360 7.910 256 HD2 LYS 40 HD2 LYS 40 0.165 -3.308 6.734 257 HD3 LYS 40 HD3 LYS 40 0.944 -2.072 7.722 258 HE2 LYS 40 HE2 LYS 40 2.362 -1.411 5.988 259 HE3 LYS 40 HE3 LYS 40 2.093 -2.894 5.080 260 HZ1 LYS 40 HZ1 LYS 40 0.954 -0.923 4.144 261 HZ2 LYS 40 HZ2 LYS 40 0.006 -0.829 5.543 262 HZ3 LYS 40 HZ3 LYS 40 -0.110 -2.178 4.529 263 H LYS 41 H LYS 41 2.515 -8.175 6.785 264 HA LYS 41 HA LYS 41 1.149 -8.208 9.386 265 HB2 LYS 41 HB2 LYS 41 0.859 -10.183 7.168 266 HB3 LYS 41 HB3 LYS 41 0.900 -10.798 8.814 267 HG2 LYS 41 HG2 LYS 41 -0.891 -8.681 8.911 268 HG3 LYS 41 HG3 LYS 41 -1.238 -9.490 7.379 269 HD2 LYS 41 HD2 LYS 41 -1.441 -11.626 8.561 270 HD3 LYS 41 HD3 LYS 41 -1.087 -10.816 10.090 271 HE2 LYS 41 HE2 LYS 41 -3.265 -9.602 8.553 272 HE3 LYS 41 HE3 LYS 41 -3.585 -11.255 9.078 273 HZ1 LYS 41 HZ1 LYS 41 -4.332 -9.655 10.717 274 HZ2 LYS 41 HZ2 LYS 41 -2.768 -9.007 10.842 275 HZ3 LYS 41 HZ3 LYS 41 -3.069 -10.599 11.344 276 H SER 42 H SER 42 3.220 -10.320 7.403 277 HA SER 42 HA SER 42 4.772 -11.167 9.643 278 HB2 SER 42 HB2 SER 42 5.963 -11.566 7.002 279 HB3 SER 42 HB3 SER 42 5.481 -12.759 8.209 280 HG SER 42 HG SER 42 4.270 -12.788 6.172 281 H GLY 43 H GLY 43 4.917 -8.525 7.460 282 HA2 GLY 43 HA2 GLY 43 7.057 -7.304 8.887 283 HA3 GLY 43 HA3 GLY 43 7.602 -7.889 7.319 284 H LEU 44 H LEU 44 6.893 -5.145 8.679 285 HA LEU 44 HA LEU 44 4.815 -4.134 6.999 286 HB2 LEU 44 HB2 LEU 44 6.170 -1.902 7.904 287 HB3 LEU 44 HB3 LEU 44 4.777 -2.649 8.656 288 HG LEU 44 HG LEU 44 7.308 -3.884 9.445 289 HD11 LEU 44 HD11 LEU 44 7.757 -1.337 9.078 290 HD12 LEU 44 HD12 LEU 44 6.846 -1.163 10.578 291 HD13 LEU 44 HD13 LEU 44 8.318 -2.134 10.547 292 HD21 LEU 44 HD21 LEU 44 5.883 -2.779 11.610 293 HD22 LEU 44 HD22 LEU 44 4.686 -3.393 10.470 294 HD23 LEU 44 HD23 LEU 44 5.940 -4.464 11.095 295 H ARG 45 H ARG 45 8.299 -3.320 7.161 296 HA ARG 45 HA ARG 45 8.456 -3.365 4.292 297 HB2 ARG 45 HB2 ARG 45 9.590 -0.963 4.442 298 HB3 ARG 45 HB3 ARG 45 7.880 -1.168 4.099 299 HG2 ARG 45 HG2 ARG 45 7.834 -1.038 6.797 300 HG3 ARG 45 HG3 ARG 45 9.218 -0.001 6.434 301 HD2 ARG 45 HD2 ARG 45 7.246 0.670 4.565 302 HD3 ARG 45 HD3 ARG 45 6.406 0.519 6.109 303 HE ARG 45 HE ARG 45 7.959 2.176 7.005 304 HH11 ARG 45 HH12 ARG 45 7.851 1.863 3.507 305 HH12 ARG 45 HH11 ARG 45 8.278 3.523 3.217 306 HH21 ARG 45 HH22 ARG 45 8.542 4.354 6.622 307 HH22 ARG 45 HH21 ARG 45 8.685 4.933 4.987 308 H VAL 46 H VAL 46 9.888 -5.055 4.975 309 HA VAL 46 HA VAL 46 12.373 -4.224 6.248 310 HB VAL 46 HB VAL 46 12.911 -6.760 5.668 311 HG11 VAL 46 HG11 VAL 46 11.835 -7.358 7.887 312 HG12 VAL 46 HG12 VAL 46 12.967 -6.006 7.899 313 HG13 VAL 46 HG13 VAL 46 11.230 -5.701 7.926 314 HG21 VAL 46 HG21 VAL 46 9.911 -6.827 5.939 315 HG22 VAL 46 HG22 VAL 46 10.766 -7.022 4.409 316 HG23 VAL 46 HG23 VAL 46 11.002 -8.192 5.709 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 26.220 15.225 8.025 2 H2 GLY 1 H2 GLY 1 25.347 16.543 8.637 3 H3 GLY 1 H3 GLY 1 26.653 16.807 7.588 4 HA2 GLY 1 HA3 GLY 1 25.008 17.026 6.082 5 HA3 GLY 1 HA2 GLY 1 25.224 15.281 6.011 6 H SER 2 H SER 2 22.911 17.462 5.959 7 HA SER 2 HA SER 2 21.084 15.912 7.680 8 HB2 SER 2 HB2 SER 2 20.369 18.617 6.604 9 HB3 SER 2 HB3 SER 2 19.832 17.828 8.086 10 HG SER 2 HG SER 2 22.527 18.637 7.696 11 H MET 3 H MET 3 18.954 15.475 6.826 12 HA MET 3 HA MET 3 18.997 14.627 4.117 13 HB2 MET 3 HB2 MET 3 16.727 13.907 4.474 14 HB3 MET 3 HB3 MET 3 17.668 13.525 5.906 15 HG2 MET 3 HG2 MET 3 16.582 15.059 7.204 16 HG3 MET 3 HG3 MET 3 16.163 16.086 5.834 17 HE1 MET 3 HE1 MET 3 14.346 16.315 4.862 18 HE2 MET 3 HE2 MET 3 13.714 14.915 3.995 19 HE3 MET 3 HE3 MET 3 12.787 15.626 5.318 20 H ALA 4 H ALA 4 18.030 15.470 2.321 21 HA ALA 4 HA ALA 4 17.385 18.325 2.504 22 HB1 ALA 4 HB1 ALA 4 17.881 16.779 -0.022 23 HB2 ALA 4 HB2 ALA 4 18.001 18.518 0.242 24 HB3 ALA 4 HB3 ALA 4 19.195 17.432 0.955 25 H ALA 5 H ALA 5 16.149 15.251 1.324 26 HA ALA 5 HA ALA 5 13.448 16.290 1.469 27 HB1 ALA 5 HB1 ALA 5 14.819 15.770 -1.090 28 HB2 ALA 5 HB2 ALA 5 13.194 15.102 -0.938 29 HB3 ALA 5 HB3 ALA 5 13.461 16.834 -0.725 30 H HIS 6 H HIS 6 11.906 14.679 1.711 31 HA HIS 6 HA HIS 6 12.958 11.931 1.855 32 HB2 HIS 6 HB2 HIS 6 12.416 13.223 4.085 33 HB3 HIS 6 HB3 HIS 6 10.752 12.826 3.671 34 HD1 HIS 6 HD1 HIS 6 14.070 10.996 4.114 35 HD2 HIS 6 HD2 HIS 6 9.975 10.405 4.577 36 HE1 HIS 6 HE1 HIS 6 13.824 8.720 5.154 37 HE2 HIS 6 HE2 HIS 6 11.337 8.310 5.258 38 H SER 7 H SER 7 12.165 11.441 -0.181 39 HA SER 7 HA SER 7 9.313 11.792 -0.681 40 HB2 SER 7 HB2 SER 7 10.861 10.395 -2.734 41 HB3 SER 7 HB3 SER 7 9.868 11.847 -2.865 42 HG SER 7 HG SER 7 11.584 13.068 -2.592 43 H ALA 8 H ALA 8 8.842 10.229 1.076 44 HA ALA 8 HA ALA 8 9.192 7.438 0.197 45 HB1 ALA 8 HB1 ALA 8 8.614 6.937 2.640 46 HB2 ALA 8 HB2 ALA 8 10.204 7.624 2.300 47 HB3 ALA 8 HB3 ALA 8 8.915 8.651 2.929 48 H ASP 9 H ASP 9 7.067 9.702 -0.249 49 HA ASP 9 HA ASP 9 4.739 8.025 0.407 50 HB2 ASP 9 HB2 ASP 9 5.057 10.483 1.348 51 HB3 ASP 9 HB3 ASP 9 4.428 10.925 -0.234 52 H LEU 10 H LEU 10 6.381 7.651 -1.836 53 HA LEU 10 HA LEU 10 4.625 8.463 -4.056 54 HB2 LEU 10 HB2 LEU 10 7.241 7.022 -4.391 55 HB3 LEU 10 HB3 LEU 10 6.367 7.985 -5.564 56 HG LEU 10 HG LEU 10 7.607 9.205 -3.108 57 HD11 LEU 10 HD11 LEU 10 8.954 8.054 -5.355 58 HD12 LEU 10 HD12 LEU 10 9.163 9.806 -5.370 59 HD13 LEU 10 HD13 LEU 10 9.630 8.875 -3.947 60 HD21 LEU 10 HD21 LEU 10 6.927 10.412 -5.783 61 HD22 LEU 10 HD22 LEU 10 5.848 10.443 -4.388 62 HD23 LEU 10 HD23 LEU 10 7.411 11.257 -4.312 63 H LYS 11 H LYS 11 6.504 5.667 -2.988 64 HA LYS 11 HA LYS 11 4.257 3.935 -3.703 65 HB2 LYS 11 HB2 LYS 11 7.167 3.589 -3.885 66 HB3 LYS 11 HB3 LYS 11 6.340 2.249 -3.101 67 HG2 LYS 11 HG2 LYS 11 5.683 3.359 -5.821 68 HG3 LYS 11 HG3 LYS 11 6.606 1.890 -5.498 69 HD2 LYS 11 HD2 LYS 11 4.349 1.486 -4.015 70 HD3 LYS 11 HD3 LYS 11 3.719 2.358 -5.416 71 HE2 LYS 11 HE2 LYS 11 4.006 0.600 -6.760 72 HE3 LYS 11 HE3 LYS 11 5.632 0.302 -6.154 73 HZ1 LYS 11 HZ1 LYS 11 3.344 -1.175 -5.654 74 HZ2 LYS 11 HZ2 LYS 11 3.746 -0.425 -4.185 75 HZ3 LYS 11 HZ3 LYS 11 4.882 -1.395 -4.985 76 H CYS 12 H CYS 12 3.174 3.153 -2.088 77 HA CYS 12 HA CYS 12 3.399 4.168 0.434 78 HB2 CYS 12 HB2 CYS 12 1.758 2.268 1.028 79 HB3 CYS 12 HB3 CYS 12 1.295 3.433 -0.196 80 HA PRO 13 HA PRO 13 6.227 2.227 3.017 81 HB2 PRO 13 HB2 PRO 13 3.975 1.319 4.759 82 HB3 PRO 13 HB3 PRO 13 5.448 2.194 5.189 83 HG2 PRO 13 HG2 PRO 13 3.151 3.488 4.992 84 HG3 PRO 13 HG3 PRO 13 4.649 4.212 4.379 85 HD2 PRO 13 HD2 PRO 13 2.389 2.988 2.879 86 HD3 PRO 13 HD3 PRO 13 3.436 4.349 2.433 87 H THR 14 H THR 14 3.473 0.158 2.259 88 HA THR 14 HA THR 14 4.860 -2.237 3.056 89 HB THR 14 HB THR 14 2.342 -2.155 1.414 90 HG1 THR 14 HG1 THR 14 1.408 -1.184 3.043 91 HG21 THR 14 HG21 THR 14 2.762 -4.061 3.630 92 HG22 THR 14 HG22 THR 14 3.818 -4.256 2.231 93 HG23 THR 14 HG23 THR 14 2.066 -4.317 2.030 94 HA PRO 15 HA PRO 15 7.043 -2.391 -0.864 95 HB2 PRO 15 HB2 PRO 15 8.083 -4.905 0.304 96 HB3 PRO 15 HB3 PRO 15 8.962 -3.494 -0.287 97 HG2 PRO 15 HG2 PRO 15 8.796 -3.981 2.313 98 HG3 PRO 15 HG3 PRO 15 8.683 -2.322 1.690 99 HD2 PRO 15 HD2 PRO 15 6.480 -4.163 2.578 100 HD3 PRO 15 HD3 PRO 15 6.713 -2.436 2.936 101 H GLY 16 H GLY 16 5.246 -5.029 0.583 102 HA2 GLY 16 HA2 GLY 16 5.167 -6.562 -1.856 103 HA3 GLY 16 HA3 GLY 16 4.377 -6.970 -0.343 104 H CYS 17 H CYS 17 3.587 -3.876 -0.850 105 HA CYS 17 HA CYS 17 0.973 -4.586 -1.900 106 HB2 CYS 17 HB2 CYS 17 1.167 -3.218 0.140 107 HB3 CYS 17 HB3 CYS 17 2.035 -1.990 -0.769 108 H ASP 18 H ASP 18 -0.005 -3.258 -3.578 109 HA ASP 18 HA ASP 18 1.994 -2.524 -5.598 110 HB2 ASP 18 HB2 ASP 18 0.553 -3.211 -7.250 111 HB3 ASP 18 HB3 ASP 18 0.036 -4.273 -5.948 112 H GLY 19 H GLY 19 -0.445 -1.257 -3.559 113 HA2 GLY 19 HA2 GLY 19 -0.580 1.015 -3.013 114 HA3 GLY 19 HA3 GLY 19 0.217 1.408 -4.526 115 H SER 20 H SER 20 -1.684 -0.205 -6.120 116 HA SER 20 HA SER 20 -3.759 1.834 -6.173 117 HB2 SER 20 HB2 SER 20 -3.929 -0.005 -8.377 118 HB3 SER 20 HB3 SER 20 -3.537 1.715 -8.398 119 HG SER 20 HG SER 20 -1.755 -0.467 -7.993 120 H GLY 21 H GLY 21 -4.709 0.800 -4.247 121 HA2 GLY 21 HA2 GLY 21 -7.112 -0.406 -4.842 122 HA3 GLY 21 HA3 GLY 21 -6.012 -1.720 -4.437 123 H HIS 22 H HIS 22 -7.840 -1.825 -2.752 124 HA HIS 22 HA HIS 22 -6.721 -0.773 -0.292 125 HB2 HIS 22 HB2 HIS 22 -9.319 0.175 -1.401 126 HB3 HIS 22 HB3 HIS 22 -9.301 -0.236 0.304 127 HD1 HIS 22 HD1 HIS 22 -8.514 1.535 1.865 128 HD2 HIS 22 HD2 HIS 22 -7.422 2.309 -2.068 129 HE1 HIS 22 HE1 HIS 22 -7.552 3.850 1.874 130 HE2 HIS 22 HE2 HIS 22 -7.099 4.376 -0.541 131 H ILE 23 H ILE 23 -7.209 -2.095 1.482 132 HA ILE 23 HA ILE 23 -8.333 -4.688 0.863 133 HB ILE 23 HB ILE 23 -6.551 -3.741 2.795 134 HG12 ILE 23 HG12 ILE 23 -6.255 -5.883 1.909 135 HG13 ILE 23 HG13 ILE 23 -6.668 -6.182 3.592 136 HG21 ILE 23 HG21 ILE 23 -7.487 -4.461 4.941 137 HG22 ILE 23 HG22 ILE 23 -8.358 -3.081 4.268 138 HG23 ILE 23 HG23 ILE 23 -9.055 -4.699 4.169 139 HD11 ILE 23 HD11 ILE 23 -9.053 -6.130 2.022 140 HD12 ILE 23 HD12 ILE 23 -7.881 -7.236 1.301 141 HD13 ILE 23 HD13 ILE 23 -8.373 -7.447 2.982 142 H THR 24 H THR 24 -9.395 -1.696 1.834 143 HA THR 24 HA THR 24 -11.662 -2.233 3.397 144 HB THR 24 HB THR 24 -11.892 0.111 1.812 145 HG1 THR 24 HG1 THR 24 -9.328 -0.099 3.008 146 HG21 THR 24 HG21 THR 24 -12.494 -0.320 4.215 147 HG22 THR 24 HG22 THR 24 -11.695 1.215 3.880 148 HG23 THR 24 HG23 THR 24 -10.781 -0.125 4.572 149 H GLY 25 H GLY 25 -11.512 -0.919 0.159 150 HA2 GLY 25 HA2 GLY 25 -12.659 -2.002 -1.738 151 HA3 GLY 25 HA3 GLY 25 -13.894 -2.498 -0.586 152 H ASN 26 H ASN 26 -12.662 0.570 0.023 153 HA ASN 26 HA ASN 26 -15.125 1.766 -1.035 154 HB2 ASN 26 HB2 ASN 26 -13.337 2.984 1.065 155 HB3 ASN 26 HB3 ASN 26 -15.015 3.362 0.722 156 HD21 ASN 26 HD21 ASN 26 -16.093 0.808 0.641 157 HD22 ASN 26 HD22 ASN 26 -15.997 0.107 2.225 158 H TYR 27 H TYR 27 -11.747 1.750 -1.422 159 HA TYR 27 HA TYR 27 -11.844 4.211 -3.014 160 HB2 TYR 27 HB2 TYR 27 -9.627 3.327 -1.164 161 HB3 TYR 27 HB3 TYR 27 -9.594 4.744 -2.188 162 HD1 TYR 27 HD2 TYR 27 -11.053 3.240 0.819 163 HD2 TYR 27 HD1 TYR 27 -10.790 6.759 -1.562 164 HE1 TYR 27 HE2 TYR 27 -12.078 4.537 2.632 165 HE2 TYR 27 HE1 TYR 27 -11.809 8.069 0.254 166 HH TYR 27 HH TYR 27 -12.379 6.688 3.425 167 H ALA 28 H ALA 28 -10.472 4.287 -4.787 168 HA ALA 28 HA ALA 28 -9.957 1.729 -5.975 169 HB1 ALA 28 HB1 ALA 28 -8.894 4.038 -7.398 170 HB2 ALA 28 HB2 ALA 28 -10.063 2.823 -7.912 171 HB3 ALA 28 HB3 ALA 28 -10.593 4.204 -6.954 172 H SER 29 H SER 29 -7.977 4.287 -4.584 173 HA SER 29 HA SER 29 -5.705 2.495 -4.528 174 HB2 SER 29 HB2 SER 29 -4.540 4.828 -5.540 175 HB3 SER 29 HB3 SER 29 -4.744 3.297 -6.390 176 HG SER 29 HG SER 29 -5.651 4.996 -7.581 177 H HIS 30 H HIS 30 -3.753 3.721 -3.544 178 HA HIS 30 HA HIS 30 -4.537 5.873 -1.752 179 HB2 HIS 30 HB2 HIS 30 -3.381 4.731 0.172 180 HB3 HIS 30 HB3 HIS 30 -4.901 3.993 -0.294 181 HD1 HIS 30 HD1 HIS 30 -4.579 1.737 -1.880 182 HD2 HIS 30 HD2 HIS 30 -1.310 3.035 0.334 183 HE1 HIS 30 HE1 HIS 30 -2.906 -0.158 -1.890 184 H ARG 31 H ARG 31 -2.144 5.811 -0.252 185 HA ARG 31 HA ARG 31 0.031 5.925 -2.172 186 HB2 ARG 31 HB2 ARG 31 -1.365 8.178 -1.921 187 HB3 ARG 31 HB3 ARG 31 -0.352 8.357 -0.497 188 HG2 ARG 31 HG2 ARG 31 1.645 8.155 -1.893 189 HG3 ARG 31 HG3 ARG 31 0.621 7.987 -3.320 190 HD2 ARG 31 HD2 ARG 31 1.583 10.298 -2.836 191 HD3 ARG 31 HD3 ARG 31 -0.143 10.195 -3.172 192 HE ARG 31 HE ARG 31 1.005 10.464 -0.457 193 HH11 ARG 31 HH12 ARG 31 -1.502 11.126 -2.827 194 HH12 ARG 31 HH11 ARG 31 -2.442 12.107 -1.736 195 HH21 ARG 31 HH22 ARG 31 -0.241 11.749 0.974 196 HH22 ARG 31 HH21 ARG 31 -1.711 12.480 0.404 197 H SER 32 H SER 32 -1.218 5.995 1.070 198 HA SER 32 HA SER 32 1.450 5.268 2.079 199 HB2 SER 32 HB2 SER 32 -0.445 6.670 3.901 200 HB3 SER 32 HB3 SER 32 1.315 6.745 3.836 201 HG SER 32 HG SER 32 1.193 8.135 2.093 202 H LEU 33 H LEU 33 0.951 4.429 4.560 203 HA LEU 33 HA LEU 33 -0.435 1.986 4.132 204 HB2 LEU 33 HB2 LEU 33 1.435 3.083 6.008 205 HB3 LEU 33 HB3 LEU 33 0.136 2.289 6.874 206 HG LEU 33 HG LEU 33 1.814 1.018 4.728 207 HD11 LEU 33 HD11 LEU 33 3.341 0.856 6.346 208 HD12 LEU 33 HD12 LEU 33 2.199 1.358 7.594 209 HD13 LEU 33 HD13 LEU 33 2.257 -0.327 7.079 210 HD21 LEU 33 HD21 LEU 33 0.524 -0.872 6.374 211 HD22 LEU 33 HD22 LEU 33 -0.696 0.299 5.875 212 HD23 LEU 33 HD23 LEU 33 0.252 -0.558 4.659 213 H SER 34 H SER 34 -2.320 3.937 3.837 214 HA SER 34 HA SER 34 -3.928 3.734 6.291 215 HB2 SER 34 HB2 SER 34 -4.949 5.483 4.181 216 HB3 SER 34 HB3 SER 34 -4.694 5.818 5.894 217 HG SER 34 HG SER 34 -2.426 6.049 5.381 218 H GLY 35 H GLY 35 -3.512 2.400 3.259 219 HA2 GLY 35 HA2 GLY 35 -6.022 0.993 3.443 220 HA3 GLY 35 HA3 GLY 35 -5.891 2.064 2.057 221 H CYS 36 H CYS 36 -3.065 0.489 3.308 222 HA CYS 36 HA CYS 36 -2.420 -0.772 0.853 223 HB2 CYS 36 HB2 CYS 36 -1.377 -0.932 3.660 224 HB3 CYS 36 HB3 CYS 36 -0.868 -2.142 2.487 225 HA PRO 37 HA PRO 37 -5.236 -4.184 1.679 226 HB2 PRO 37 HB2 PRO 37 -5.504 -5.040 -0.834 227 HB3 PRO 37 HB3 PRO 37 -6.248 -3.524 -0.292 228 HG2 PRO 37 HG2 PRO 37 -3.694 -3.943 -1.820 229 HG3 PRO 37 HG3 PRO 37 -4.988 -2.766 -2.113 230 HD2 PRO 37 HD2 PRO 37 -2.668 -2.163 -0.782 231 HD3 PRO 37 HD3 PRO 37 -4.208 -1.328 -0.507 232 H ARG 38 H ARG 38 -2.044 -4.192 0.509 233 HA ARG 38 HA ARG 38 -1.856 -7.102 0.947 234 HB2 ARG 38 HB2 ARG 38 0.341 -5.649 -0.447 235 HB3 ARG 38 HB3 ARG 38 -0.205 -7.304 -0.645 236 HG2 ARG 38 HG2 ARG 38 -2.344 -5.824 -1.538 237 HG3 ARG 38 HG3 ARG 38 -0.942 -4.912 -2.104 238 HD2 ARG 38 HD2 ARG 38 -0.369 -6.486 -3.590 239 HD3 ARG 38 HD3 ARG 38 -0.705 -7.802 -2.466 240 HE ARG 38 HE ARG 38 -3.072 -6.509 -3.481 241 HH11 ARG 38 HH12 ARG 38 -0.704 -9.033 -4.064 242 HH12 ARG 38 HH11 ARG 38 -1.758 -9.957 -5.092 243 HH21 ARG 38 HH22 ARG 38 -4.449 -7.719 -4.807 244 HH22 ARG 38 HH21 ARG 38 -3.905 -9.220 -5.498 245 H ALA 39 H ALA 39 -1.899 -4.998 2.929 246 HA ALA 39 HA ALA 39 0.718 -4.321 3.746 247 HB1 ALA 39 HB1 ALA 39 -1.302 -3.058 4.381 248 HB2 ALA 39 HB2 ALA 39 -1.744 -4.379 5.464 249 HB3 ALA 39 HB3 ALA 39 -0.261 -3.470 5.744 250 H LYS 40 H LYS 40 1.908 -6.161 3.800 251 HA LYS 40 HA LYS 40 2.853 -8.076 4.608 252 HB2 LYS 40 HB2 LYS 40 1.945 -6.804 7.195 253 HB3 LYS 40 HB3 LYS 40 3.149 -8.077 7.065 254 HG2 LYS 40 HG2 LYS 40 4.661 -6.449 6.969 255 HG3 LYS 40 HG3 LYS 40 4.076 -6.140 5.332 256 HD2 LYS 40 HD2 LYS 40 2.256 -4.735 6.653 257 HD3 LYS 40 HD3 LYS 40 3.543 -4.663 7.857 258 HE2 LYS 40 HE2 LYS 40 4.988 -3.540 6.423 259 HE3 LYS 40 HE3 LYS 40 4.087 -4.017 4.985 260 HZ1 LYS 40 HZ1 LYS 40 3.898 -1.633 6.298 261 HZ2 LYS 40 HZ2 LYS 40 2.507 -2.467 6.800 262 HZ3 LYS 40 HZ3 LYS 40 2.799 -2.225 5.146 263 H LYS 41 H LYS 41 0.613 -8.884 3.574 264 HA LYS 41 HA LYS 41 -1.111 -10.178 5.510 265 HB2 LYS 41 HB2 LYS 41 -1.387 -9.368 2.847 266 HB3 LYS 41 HB3 LYS 41 -1.426 -11.124 2.792 267 HG2 LYS 41 HG2 LYS 41 -3.501 -11.158 3.551 268 HG3 LYS 41 HG3 LYS 41 -3.055 -10.176 4.949 269 HD2 LYS 41 HD2 LYS 41 -4.540 -8.754 3.975 270 HD3 LYS 41 HD3 LYS 41 -3.078 -8.251 3.125 271 HE2 LYS 41 HE2 LYS 41 -4.388 -8.558 1.306 272 HE3 LYS 41 HE3 LYS 41 -3.868 -10.231 1.502 273 HZ1 LYS 41 HZ1 LYS 41 -5.901 -10.885 2.174 274 HZ2 LYS 41 HZ2 LYS 41 -6.413 -9.512 1.320 275 HZ3 LYS 41 HZ3 LYS 41 -6.226 -9.444 3.006 276 H SER 42 H SER 42 0.740 -11.392 2.746 277 HA SER 42 HA SER 42 1.359 -13.823 4.293 278 HB2 SER 42 HB2 SER 42 1.828 -13.693 1.349 279 HB3 SER 42 HB3 SER 42 1.312 -15.055 2.347 280 HG SER 42 HG SER 42 -0.743 -14.024 2.535 281 H GLY 43 H GLY 43 2.657 -11.452 4.796 282 HA2 GLY 43 HA2 GLY 43 4.973 -11.035 5.242 283 HA3 GLY 43 HA3 GLY 43 5.377 -11.972 3.806 284 H LEU 44 H LEU 44 6.682 -9.879 3.500 285 HA LEU 44 HA LEU 44 4.957 -7.920 2.127 286 HB2 LEU 44 HB2 LEU 44 7.011 -6.402 2.353 287 HB3 LEU 44 HB3 LEU 44 6.047 -6.703 3.783 288 HG LEU 44 HG LEU 44 7.970 -8.677 3.919 289 HD11 LEU 44 HD11 LEU 44 9.420 -7.909 2.280 290 HD12 LEU 44 HD12 LEU 44 9.099 -6.215 2.649 291 HD13 LEU 44 HD13 LEU 44 10.073 -7.186 3.750 292 HD21 LEU 44 HD21 LEU 44 9.005 -6.911 5.572 293 HD22 LEU 44 HD22 LEU 44 7.517 -6.035 5.213 294 HD23 LEU 44 HD23 LEU 44 7.441 -7.657 5.898 295 H ARG 45 H ARG 45 6.353 -10.536 1.296 296 HA ARG 45 HA ARG 45 7.411 -9.447 -1.215 297 HB2 ARG 45 HB2 ARG 45 8.989 -10.716 0.739 298 HB3 ARG 45 HB3 ARG 45 8.744 -11.913 -0.527 299 HG2 ARG 45 HG2 ARG 45 10.642 -10.874 -1.260 300 HG3 ARG 45 HG3 ARG 45 9.405 -9.948 -2.110 301 HD2 ARG 45 HD2 ARG 45 10.795 -8.301 -1.237 302 HD3 ARG 45 HD3 ARG 45 9.480 -8.383 -0.066 303 HE ARG 45 HE ARG 45 10.928 -9.515 1.440 304 HH11 ARG 45 HH12 ARG 45 12.507 -8.383 -1.470 305 HH12 ARG 45 HH11 ARG 45 14.107 -8.509 -0.805 306 HH21 ARG 45 HH22 ARG 45 13.023 -9.613 2.345 307 HH22 ARG 45 HH21 ARG 45 14.404 -9.186 1.368 308 H VAL 46 H VAL 46 5.042 -10.009 -1.555 309 HA VAL 46 HA VAL 46 4.905 -12.543 -2.914 310 HB VAL 46 HB VAL 46 4.256 -13.150 -0.590 311 HG11 VAL 46 HG11 VAL 46 1.660 -11.776 -0.769 312 HG12 VAL 46 HG12 VAL 46 2.687 -12.101 0.628 313 HG13 VAL 46 HG13 VAL 46 3.056 -10.749 -0.440 314 HG21 VAL 46 HG21 VAL 46 3.302 -14.646 -2.027 315 HG22 VAL 46 HG22 VAL 46 1.851 -13.975 -1.283 316 HG23 VAL 46 HG23 VAL 46 2.367 -13.412 -2.873 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -13.534 20.869 -5.428 2 H2 GLY 1 H2 GLY 1 -12.299 20.786 -4.273 3 H3 GLY 1 H3 GLY 1 -13.756 21.569 -3.899 4 HA2 GLY 1 HA3 GLY 1 -14.035 19.562 -2.842 5 HA3 GLY 1 HA2 GLY 1 -14.839 19.305 -4.387 6 H SER 2 H SER 2 -14.340 17.026 -3.544 7 HA SER 2 HA SER 2 -13.186 15.075 -3.696 8 HB2 SER 2 HB2 SER 2 -11.783 16.307 -6.070 9 HB3 SER 2 HB3 SER 2 -12.209 14.614 -5.812 10 HG SER 2 HG SER 2 -14.481 15.503 -5.756 11 H MET 3 H MET 3 -12.122 15.714 -1.695 12 HA MET 3 HA MET 3 -9.694 17.020 -1.471 13 HB2 MET 3 HB2 MET 3 -11.158 16.368 0.423 14 HB3 MET 3 HB3 MET 3 -10.656 14.698 0.209 15 HG2 MET 3 HG2 MET 3 -8.384 16.467 0.472 16 HG3 MET 3 HG3 MET 3 -9.479 16.597 1.847 17 HE1 MET 3 HE1 MET 3 -7.474 14.237 3.856 18 HE2 MET 3 HE2 MET 3 -7.711 15.925 3.401 19 HE3 MET 3 HE3 MET 3 -9.079 14.961 3.956 20 H ALA 4 H ALA 4 -7.900 16.605 -2.542 21 HA ALA 4 HA ALA 4 -6.173 15.544 -3.563 22 HB1 ALA 4 HB1 ALA 4 -5.015 14.565 -1.947 23 HB2 ALA 4 HB2 ALA 4 -6.486 14.323 -1.005 24 HB3 ALA 4 HB3 ALA 4 -5.973 13.101 -2.168 25 H ALA 5 H ALA 5 -8.050 15.343 -5.179 26 HA ALA 5 HA ALA 5 -9.405 12.970 -5.625 27 HB1 ALA 5 HB1 ALA 5 -9.517 13.858 -8.052 28 HB2 ALA 5 HB2 ALA 5 -10.254 14.802 -6.758 29 HB3 ALA 5 HB3 ALA 5 -8.678 15.265 -7.399 30 H HIS 6 H HIS 6 -6.172 13.884 -6.608 31 HA HIS 6 HA HIS 6 -5.927 11.388 -8.136 32 HB2 HIS 6 HB2 HIS 6 -4.973 13.979 -8.622 33 HB3 HIS 6 HB3 HIS 6 -3.555 13.047 -8.150 34 HD1 HIS 6 HD1 HIS 6 -5.601 13.834 -11.012 35 HD2 HIS 6 HD2 HIS 6 -3.305 10.580 -9.798 36 HE1 HIS 6 HE1 HIS 6 -5.185 12.479 -13.091 37 HE2 HIS 6 HE2 HIS 6 -3.928 10.439 -12.307 38 H SER 7 H SER 7 -5.534 9.783 -6.715 39 HA SER 7 HA SER 7 -3.980 10.086 -4.366 40 HB2 SER 7 HB2 SER 7 -4.137 7.356 -5.393 41 HB3 SER 7 HB3 SER 7 -4.770 8.027 -3.889 42 HG SER 7 HG SER 7 -6.220 7.240 -5.817 43 H ALA 8 H ALA 8 -3.331 8.561 -7.500 44 HA ALA 8 HA ALA 8 -1.444 8.250 -8.702 45 HB1 ALA 8 HB1 ALA 8 -0.584 10.330 -8.672 46 HB2 ALA 8 HB2 ALA 8 -0.673 10.463 -6.916 47 HB3 ALA 8 HB3 ALA 8 0.653 9.573 -7.669 48 H ASP 9 H ASP 9 -0.658 6.292 -8.666 49 HA ASP 9 HA ASP 9 0.186 5.035 -6.218 50 HB2 ASP 9 HB2 ASP 9 -1.018 3.694 -7.819 51 HB3 ASP 9 HB3 ASP 9 0.134 4.087 -9.088 52 H LEU 10 H LEU 10 1.937 6.408 -5.663 53 HA LEU 10 HA LEU 10 4.371 6.042 -7.276 54 HB2 LEU 10 HB2 LEU 10 5.351 7.754 -5.701 55 HB3 LEU 10 HB3 LEU 10 4.091 8.336 -6.771 56 HG LEU 10 HG LEU 10 2.870 7.502 -4.332 57 HD11 LEU 10 HD11 LEU 10 5.372 9.114 -4.043 58 HD12 LEU 10 HD12 LEU 10 4.012 9.365 -2.950 59 HD13 LEU 10 HD13 LEU 10 4.781 7.782 -3.052 60 HD21 LEU 10 HD21 LEU 10 3.249 10.364 -4.999 61 HD22 LEU 10 HD22 LEU 10 2.416 9.354 -6.181 62 HD23 LEU 10 HD23 LEU 10 1.788 9.490 -4.537 63 H LYS 11 H LYS 11 2.876 4.185 -5.471 64 HA LYS 11 HA LYS 11 3.283 2.458 -4.129 65 HB2 LYS 11 HB2 LYS 11 6.038 3.239 -4.897 66 HB3 LYS 11 HB3 LYS 11 5.846 2.111 -3.559 67 HG2 LYS 11 HG2 LYS 11 4.798 1.780 -6.363 68 HG3 LYS 11 HG3 LYS 11 6.111 0.885 -5.605 69 HD2 LYS 11 HD2 LYS 11 4.655 -0.267 -4.170 70 HD3 LYS 11 HD3 LYS 11 3.347 0.887 -4.439 71 HE2 LYS 11 HE2 LYS 11 4.443 -0.873 -6.619 72 HE3 LYS 11 HE3 LYS 11 3.121 -1.374 -5.566 73 HZ1 LYS 11 HZ1 LYS 11 3.101 0.440 -7.793 74 HZ2 LYS 11 HZ2 LYS 11 2.328 1.079 -6.426 75 HZ3 LYS 11 HZ3 LYS 11 1.821 -0.401 -7.073 76 H CYS 12 H CYS 12 3.251 1.990 -2.067 77 HA CYS 12 HA CYS 12 3.382 4.264 -0.255 78 HB2 CYS 12 HB2 CYS 12 1.938 2.314 0.969 79 HB3 CYS 12 HB3 CYS 12 1.257 3.436 -0.208 80 HA PRO 13 HA PRO 13 6.236 2.558 2.752 81 HB2 PRO 13 HB2 PRO 13 4.125 1.493 4.552 82 HB3 PRO 13 HB3 PRO 13 5.448 2.603 4.905 83 HG2 PRO 13 HG2 PRO 13 2.950 3.487 4.713 84 HG3 PRO 13 HG3 PRO 13 4.307 4.443 4.085 85 HD2 PRO 13 HD2 PRO 13 2.312 2.779 2.612 86 HD3 PRO 13 HD3 PRO 13 3.041 4.334 2.161 87 H THR 14 H THR 14 3.604 0.419 1.901 88 HA THR 14 HA THR 14 5.092 -1.946 2.692 89 HB THR 14 HB THR 14 2.439 -1.995 1.289 90 HG1 THR 14 HG1 THR 14 1.559 -0.992 2.928 91 HG21 THR 14 HG21 THR 14 3.179 -3.716 3.595 92 HG22 THR 14 HG22 THR 14 3.979 -4.019 2.054 93 HG23 THR 14 HG23 THR 14 2.220 -4.095 2.165 94 HA PRO 15 HA PRO 15 6.756 -2.140 -1.497 95 HB2 PRO 15 HB2 PRO 15 8.108 -4.518 -0.378 96 HB3 PRO 15 HB3 PRO 15 8.799 -3.087 -1.147 97 HG2 PRO 15 HG2 PRO 15 9.034 -3.445 1.471 98 HG3 PRO 15 HG3 PRO 15 8.720 -1.833 0.800 99 HD2 PRO 15 HD2 PRO 15 6.788 -3.764 2.054 100 HD3 PRO 15 HD3 PRO 15 6.964 -2.016 2.329 101 H GLY 16 H GLY 16 5.361 -4.811 0.340 102 HA2 GLY 16 HA2 GLY 16 5.024 -6.471 -1.987 103 HA3 GLY 16 HA3 GLY 16 4.447 -6.821 -0.368 104 H CYS 17 H CYS 17 3.483 -3.777 -1.051 105 HA CYS 17 HA CYS 17 0.761 -4.595 -1.593 106 HB2 CYS 17 HB2 CYS 17 1.352 -2.863 0.094 107 HB3 CYS 17 HB3 CYS 17 1.960 -1.848 -1.203 108 H ASP 18 H ASP 18 -0.455 -3.232 -3.251 109 HA ASP 18 HA ASP 18 1.182 -3.124 -5.694 110 HB2 ASP 18 HB2 ASP 18 -0.571 -3.932 -6.929 111 HB3 ASP 18 HB3 ASP 18 -0.918 -4.708 -5.388 112 H GLY 19 H GLY 19 -0.371 -1.223 -3.442 113 HA2 GLY 19 HA2 GLY 19 -0.429 1.080 -3.336 114 HA3 GLY 19 HA3 GLY 19 0.210 1.127 -4.970 115 H SER 20 H SER 20 -1.792 -0.181 -6.376 116 HA SER 20 HA SER 20 -3.860 1.869 -6.236 117 HB2 SER 20 HB2 SER 20 -4.029 -0.069 -8.436 118 HB3 SER 20 HB3 SER 20 -4.006 1.693 -8.484 119 HG SER 20 HG SER 20 -1.622 1.188 -7.811 120 H GLY 21 H GLY 21 -4.495 0.649 -4.203 121 HA2 GLY 21 HA2 GLY 21 -6.971 -0.622 -4.764 122 HA3 GLY 21 HA3 GLY 21 -5.805 -1.791 -4.156 123 H HIS 22 H HIS 22 -7.552 -1.877 -2.483 124 HA HIS 22 HA HIS 22 -6.601 -0.537 -0.139 125 HB2 HIS 22 HB2 HIS 22 -9.152 0.360 -1.378 126 HB3 HIS 22 HB3 HIS 22 -9.212 0.028 0.345 127 HD1 HIS 22 HD1 HIS 22 -8.365 1.780 1.883 128 HD2 HIS 22 HD2 HIS 22 -7.303 2.511 -2.071 129 HE1 HIS 22 HE1 HIS 22 -7.468 4.124 1.850 130 HE2 HIS 22 HE2 HIS 22 -6.931 4.597 -0.566 131 H ILE 23 H ILE 23 -7.231 -1.633 1.750 132 HA ILE 23 HA ILE 23 -8.179 -4.303 1.367 133 HB ILE 23 HB ILE 23 -6.917 -2.855 3.481 134 HG12 ILE 23 HG12 ILE 23 -5.956 -4.864 2.766 135 HG13 ILE 23 HG13 ILE 23 -6.627 -5.262 4.342 136 HG21 ILE 23 HG21 ILE 23 -8.074 -3.334 5.415 137 HG22 ILE 23 HG22 ILE 23 -9.378 -2.887 4.314 138 HG23 ILE 23 HG23 ILE 23 -9.050 -4.589 4.647 139 HD11 ILE 23 HD11 ILE 23 -8.624 -5.796 2.412 140 HD12 ILE 23 HD12 ILE 23 -7.113 -6.498 1.837 141 HD13 ILE 23 HD13 ILE 23 -7.738 -6.936 3.427 142 H THR 24 H THR 24 -9.591 -1.247 2.270 143 HA THR 24 HA THR 24 -12.126 -2.331 3.062 144 HB THR 24 HB THR 24 -11.281 -0.095 3.822 145 HG1 THR 24 HG1 THR 24 -13.363 -0.045 4.210 146 HG21 THR 24 HG21 THR 24 -10.525 1.330 2.280 147 HG22 THR 24 HG22 THR 24 -12.203 1.587 1.802 148 HG23 THR 24 HG23 THR 24 -11.226 0.380 0.969 149 H GLY 25 H GLY 25 -10.583 -1.625 0.079 150 HA2 GLY 25 HA2 GLY 25 -11.234 -1.960 -2.093 151 HA3 GLY 25 HA3 GLY 25 -12.613 -2.832 -1.442 152 H ASN 26 H ASN 26 -12.579 0.243 -0.183 153 HA ASN 26 HA ASN 26 -14.830 0.980 -1.848 154 HB2 ASN 26 HB2 ASN 26 -13.748 1.847 0.801 155 HB3 ASN 26 HB3 ASN 26 -14.820 2.939 -0.070 156 HD21 ASN 26 HD21 ASN 26 -14.687 0.494 2.137 157 HD22 ASN 26 HD22 ASN 26 -16.317 -0.075 2.024 158 H TYR 27 H TYR 27 -11.632 1.460 -2.162 159 HA TYR 27 HA TYR 27 -11.994 4.109 -3.374 160 HB2 TYR 27 HB2 TYR 27 -9.688 3.072 -1.727 161 HB3 TYR 27 HB3 TYR 27 -9.597 4.525 -2.706 162 HD1 TYR 27 HD1 TYR 27 -11.280 2.984 0.204 163 HD2 TYR 27 HD2 TYR 27 -10.492 6.583 -1.929 164 HE1 TYR 27 HE1 TYR 27 -12.184 4.288 2.078 165 HE2 TYR 27 HE2 TYR 27 -11.397 7.895 -0.054 166 HH TYR 27 HH TYR 27 -12.108 7.831 2.064 167 H ALA 28 H ALA 28 -9.448 4.358 -4.454 168 HA ALA 28 HA ALA 28 -9.342 2.095 -6.340 169 HB1 ALA 28 HB1 ALA 28 -8.968 5.033 -6.880 170 HB2 ALA 28 HB2 ALA 28 -8.574 3.760 -8.037 171 HB3 ALA 28 HB3 ALA 28 -10.239 3.979 -7.498 172 H SER 29 H SER 29 -7.507 4.564 -4.594 173 HA SER 29 HA SER 29 -5.181 2.839 -4.556 174 HB2 SER 29 HB2 SER 29 -3.961 5.182 -5.346 175 HB3 SER 29 HB3 SER 29 -4.246 3.787 -6.384 176 HG SER 29 HG SER 29 -5.914 4.777 -7.320 177 H HIS 30 H HIS 30 -3.296 4.226 -3.424 178 HA HIS 30 HA HIS 30 -4.274 6.149 -1.510 179 HB2 HIS 30 HB2 HIS 30 -3.473 4.780 0.438 180 HB3 HIS 30 HB3 HIS 30 -4.925 4.154 -0.328 181 HD1 HIS 30 HD1 HIS 30 -4.583 1.956 -1.841 182 HD2 HIS 30 HD2 HIS 30 -1.319 3.110 0.471 183 HE1 HIS 30 HE1 HIS 30 -2.960 0.012 -1.867 184 H ARG 31 H ARG 31 -2.102 5.814 0.319 185 HA ARG 31 HA ARG 31 0.345 5.866 -1.217 186 HB2 ARG 31 HB2 ARG 31 -1.071 8.297 -0.607 187 HB3 ARG 31 HB3 ARG 31 0.472 8.277 0.234 188 HG2 ARG 31 HG2 ARG 31 1.592 7.805 -1.916 189 HG3 ARG 31 HG3 ARG 31 0.030 7.957 -2.725 190 HD2 ARG 31 HD2 ARG 31 0.623 10.204 -0.971 191 HD3 ARG 31 HD3 ARG 31 1.823 9.997 -2.247 192 HE ARG 31 HE ARG 31 -0.270 9.925 -3.755 193 HH11 ARG 31 HH12 ARG 31 -0.021 11.817 -0.816 194 HH12 ARG 31 HH11 ARG 31 -1.012 13.109 -1.418 195 HH21 ARG 31 HH22 ARG 31 -1.595 11.615 -4.533 196 HH22 ARG 31 HH21 ARG 31 -1.906 13.002 -3.527 197 H SER 32 H SER 32 -1.397 5.661 1.702 198 HA SER 32 HA SER 32 1.102 5.219 3.200 199 HB2 SER 32 HB2 SER 32 -1.154 5.887 4.893 200 HB3 SER 32 HB3 SER 32 0.423 6.668 4.782 201 HG SER 32 HG SER 32 -0.342 7.909 3.055 202 H LEU 33 H LEU 33 0.590 3.867 5.272 203 HA LEU 33 HA LEU 33 -0.444 1.382 4.361 204 HB2 LEU 33 HB2 LEU 33 1.076 2.390 6.620 205 HB3 LEU 33 HB3 LEU 33 -0.081 1.166 7.107 206 HG LEU 33 HG LEU 33 1.665 0.607 4.767 207 HD11 LEU 33 HD11 LEU 33 3.186 1.523 6.452 208 HD12 LEU 33 HD12 LEU 33 2.557 0.375 7.634 209 HD13 LEU 33 HD13 LEU 33 3.434 -0.208 6.220 210 HD21 LEU 33 HD21 LEU 33 0.040 -1.041 5.240 211 HD22 LEU 33 HD22 LEU 33 1.565 -1.670 5.866 212 HD23 LEU 33 HD23 LEU 33 0.375 -0.981 6.971 213 H SER 34 H SER 34 -2.150 3.944 5.209 214 HA SER 34 HA SER 34 -4.039 2.778 7.038 215 HB2 SER 34 HB2 SER 34 -5.121 5.039 5.671 216 HB3 SER 34 HB3 SER 34 -4.538 4.941 7.333 217 HG SER 34 HG SER 34 -2.648 5.766 6.754 218 H GLY 35 H GLY 35 -3.448 2.618 3.702 219 HA2 GLY 35 HA2 GLY 35 -6.116 1.446 3.285 220 HA3 GLY 35 HA3 GLY 35 -5.473 2.608 2.136 221 H CYS 36 H CYS 36 -3.049 0.636 3.436 222 HA CYS 36 HA CYS 36 -2.499 -0.614 0.954 223 HB2 CYS 36 HB2 CYS 36 -1.410 -0.837 3.739 224 HB3 CYS 36 HB3 CYS 36 -0.955 -2.046 2.539 225 HA PRO 37 HA PRO 37 -5.352 -4.051 1.632 226 HB2 PRO 37 HB2 PRO 37 -5.233 -5.047 -0.856 227 HB3 PRO 37 HB3 PRO 37 -6.118 -3.556 -0.502 228 HG2 PRO 37 HG2 PRO 37 -3.379 -3.903 -1.666 229 HG3 PRO 37 HG3 PRO 37 -4.672 -2.795 -2.159 230 HD2 PRO 37 HD2 PRO 37 -2.562 -2.048 -0.594 231 HD3 PRO 37 HD3 PRO 37 -4.153 -1.269 -0.537 232 H ARG 38 H ARG 38 -2.044 -3.985 1.076 233 HA ARG 38 HA ARG 38 -1.810 -6.868 1.596 234 HB2 ARG 38 HB2 ARG 38 -0.605 -5.257 -0.597 235 HB3 ARG 38 HB3 ARG 38 0.399 -6.493 0.147 236 HG2 ARG 38 HG2 ARG 38 -0.722 -8.162 -0.830 237 HG3 ARG 38 HG3 ARG 38 -2.291 -7.393 -0.564 238 HD2 ARG 38 HD2 ARG 38 -1.275 -5.726 -2.397 239 HD3 ARG 38 HD3 ARG 38 -0.443 -7.209 -2.862 240 HE ARG 38 HE ARG 38 -3.308 -7.444 -2.487 241 HH11 ARG 38 HH12 ARG 38 -0.665 -6.894 -4.724 242 HH12 ARG 38 HH11 ARG 38 -1.576 -7.385 -6.124 243 HH21 ARG 38 HH22 ARG 38 -4.504 -8.130 -4.313 244 HH22 ARG 38 HH21 ARG 38 -3.770 -8.076 -5.891 245 H ALA 39 H ALA 39 -1.752 -5.014 3.583 246 HA ALA 39 HA ALA 39 0.731 -3.876 4.206 247 HB1 ALA 39 HB1 ALA 39 -0.211 -3.293 6.178 248 HB2 ALA 39 HB2 ALA 39 -1.692 -3.773 5.349 249 HB3 ALA 39 HB3 ALA 39 -0.896 -4.894 6.452 250 H LYS 40 H LYS 40 2.435 -4.578 5.503 251 HA LYS 40 HA LYS 40 3.056 -7.368 5.313 252 HB2 LYS 40 HB2 LYS 40 4.451 -4.912 6.245 253 HB3 LYS 40 HB3 LYS 40 5.040 -6.454 6.848 254 HG2 LYS 40 HG2 LYS 40 5.982 -6.988 4.897 255 HG3 LYS 40 HG3 LYS 40 4.597 -6.414 3.963 256 HD2 LYS 40 HD2 LYS 40 6.575 -5.097 3.452 257 HD3 LYS 40 HD3 LYS 40 5.365 -4.105 4.265 258 HE2 LYS 40 HE2 LYS 40 7.015 -5.255 6.258 259 HE3 LYS 40 HE3 LYS 40 8.069 -4.595 5.008 260 HZ1 LYS 40 HZ1 LYS 40 7.006 -3.163 7.007 261 HZ2 LYS 40 HZ2 LYS 40 5.876 -2.871 5.773 262 HZ3 LYS 40 HZ3 LYS 40 7.513 -2.504 5.529 263 H LYS 41 H LYS 41 0.771 -7.123 6.798 264 HA LYS 41 HA LYS 41 1.634 -8.130 9.408 265 HB2 LYS 41 HB2 LYS 41 -0.229 -5.838 8.893 266 HB3 LYS 41 HB3 LYS 41 -0.514 -6.884 10.278 267 HG2 LYS 41 HG2 LYS 41 2.249 -6.007 10.078 268 HG3 LYS 41 HG3 LYS 41 1.107 -4.669 10.223 269 HD2 LYS 41 HD2 LYS 41 0.456 -5.276 12.320 270 HD3 LYS 41 HD3 LYS 41 0.720 -6.996 12.024 271 HE2 LYS 41 HE2 LYS 41 3.000 -5.053 12.220 272 HE3 LYS 41 HE3 LYS 41 2.299 -5.806 13.652 273 HZ1 LYS 41 HZ1 LYS 41 3.886 -7.328 13.197 274 HZ2 LYS 41 HZ2 LYS 41 3.929 -6.982 11.539 275 HZ3 LYS 41 HZ3 LYS 41 2.692 -7.955 12.167 276 H SER 42 H SER 42 1.163 -10.176 8.569 277 HA SER 42 HA SER 42 -0.109 -12.037 8.331 278 HB2 SER 42 HB2 SER 42 -2.551 -10.381 8.969 279 HB3 SER 42 HB3 SER 42 -2.355 -12.124 9.143 280 HG SER 42 HG SER 42 -1.322 -11.845 10.977 281 H GLY 43 H GLY 43 -2.132 -9.353 7.085 282 HA2 GLY 43 HA2 GLY 43 -2.852 -10.944 4.767 283 HA3 GLY 43 HA3 GLY 43 -3.427 -9.329 5.148 284 H LEU 44 H LEU 44 -0.106 -10.517 4.773 285 HA LEU 44 HA LEU 44 0.565 -8.311 3.064 286 HB2 LEU 44 HB2 LEU 44 2.619 -10.160 2.823 287 HB3 LEU 44 HB3 LEU 44 2.559 -8.800 3.928 288 HG LEU 44 HG LEU 44 1.239 -10.593 5.419 289 HD11 LEU 44 HD11 LEU 44 1.692 -12.231 3.431 290 HD12 LEU 44 HD12 LEU 44 3.285 -12.369 4.177 291 HD13 LEU 44 HD13 LEU 44 1.839 -12.784 5.100 292 HD21 LEU 44 HD21 LEU 44 3.495 -9.268 5.693 293 HD22 LEU 44 HD22 LEU 44 3.101 -10.626 6.746 294 HD23 LEU 44 HD23 LEU 44 4.201 -10.854 5.388 295 H ARG 45 H ARG 45 -0.317 -11.636 2.685 296 HA ARG 45 HA ARG 45 -0.580 -11.215 -0.186 297 HB2 ARG 45 HB2 ARG 45 1.513 -12.710 0.771 298 HB3 ARG 45 HB3 ARG 45 0.279 -13.939 0.530 299 HG2 ARG 45 HG2 ARG 45 1.108 -11.972 -1.590 300 HG3 ARG 45 HG3 ARG 45 1.817 -13.578 -1.405 301 HD2 ARG 45 HD2 ARG 45 -1.128 -13.062 -1.807 302 HD3 ARG 45 HD3 ARG 45 -0.001 -13.431 -3.112 303 HE ARG 45 HE ARG 45 0.437 -15.527 -1.613 304 HH11 ARG 45 HH12 ARG 45 -2.644 -13.970 -2.236 305 HH12 ARG 45 HH11 ARG 45 -3.562 -15.436 -2.081 306 HH21 ARG 45 HH22 ARG 45 -0.780 -17.456 -1.378 307 HH22 ARG 45 HH21 ARG 45 -2.506 -17.415 -1.594 308 H VAL 46 H VAL 46 -2.801 -11.031 0.201 309 HA VAL 46 HA VAL 46 -4.129 -13.429 1.261 310 HB VAL 46 HB VAL 46 -6.132 -11.563 0.926 311 HG11 VAL 46 HG11 VAL 46 -4.502 -12.040 3.417 312 HG12 VAL 46 HG12 VAL 46 -6.167 -11.461 3.342 313 HG13 VAL 46 HG13 VAL 46 -5.780 -13.098 2.817 314 HG21 VAL 46 HG21 VAL 46 -5.467 -9.448 1.351 315 HG22 VAL 46 HG22 VAL 46 -4.161 -9.960 2.419 316 HG23 VAL 46 HG23 VAL 46 -3.940 -10.010 0.672 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 3.662 5.987 -14.982 2 H2 GLY 1 H2 GLY 1 5.000 6.187 -15.999 3 H3 GLY 1 H3 GLY 1 5.201 5.487 -14.469 4 HA2 GLY 1 HA3 GLY 1 4.673 4.214 -16.894 5 HA3 GLY 1 HA2 GLY 1 4.871 3.486 -15.306 6 H SER 2 H SER 2 2.891 3.465 -17.819 7 HA SER 2 HA SER 2 0.343 3.901 -16.646 8 HB2 SER 2 HB2 SER 2 0.448 2.063 -18.938 9 HB3 SER 2 HB3 SER 2 -0.416 3.591 -18.757 10 HG SER 2 HG SER 2 1.481 4.697 -19.255 11 H MET 3 H MET 3 2.506 1.176 -16.837 12 HA MET 3 HA MET 3 0.467 -0.569 -15.637 13 HB2 MET 3 HB2 MET 3 1.871 -1.343 -17.634 14 HB3 MET 3 HB3 MET 3 3.225 -1.416 -16.514 15 HG2 MET 3 HG2 MET 3 2.603 -3.472 -15.988 16 HG3 MET 3 HG3 MET 3 1.148 -2.796 -15.258 17 HE1 MET 3 HE1 MET 3 -0.325 -5.822 -17.030 18 HE2 MET 3 HE2 MET 3 1.434 -5.946 -17.017 19 HE3 MET 3 HE3 MET 3 0.589 -5.276 -15.623 20 H ALA 4 H ALA 4 0.635 0.788 -13.716 21 HA ALA 4 HA ALA 4 2.580 -0.286 -11.848 22 HB1 ALA 4 HB1 ALA 4 2.882 2.309 -13.050 23 HB2 ALA 4 HB2 ALA 4 2.622 2.469 -11.313 24 HB3 ALA 4 HB3 ALA 4 3.946 1.475 -11.917 25 H ALA 5 H ALA 5 1.858 2.142 -10.118 26 HA ALA 5 HA ALA 5 -0.615 1.099 -9.022 27 HB1 ALA 5 HB1 ALA 5 -0.353 2.728 -7.284 28 HB2 ALA 5 HB2 ALA 5 1.221 1.987 -7.576 29 HB3 ALA 5 HB3 ALA 5 0.872 3.596 -8.211 30 H HIS 6 H HIS 6 -1.829 1.405 -10.931 31 HA HIS 6 HA HIS 6 -3.254 2.423 -12.347 32 HB2 HIS 6 HB2 HIS 6 -3.961 3.550 -10.054 33 HB3 HIS 6 HB3 HIS 6 -3.284 4.986 -10.819 34 HD1 HIS 6 HD1 HIS 6 -4.422 5.704 -13.137 35 HD2 HIS 6 HD2 HIS 6 -6.458 2.827 -10.925 36 HE1 HIS 6 HE1 HIS 6 -6.751 5.641 -14.081 37 HE2 HIS 6 HE2 HIS 6 -7.869 3.717 -12.902 38 H SER 7 H SER 7 -2.315 5.662 -11.692 39 HA SER 7 HA SER 7 -0.310 5.574 -13.836 40 HB2 SER 7 HB2 SER 7 -1.995 7.992 -13.801 41 HB3 SER 7 HB3 SER 7 -1.423 7.040 -15.169 42 HG SER 7 HG SER 7 -3.326 6.184 -15.250 43 H ALA 8 H ALA 8 -0.399 5.866 -10.803 44 HA ALA 8 HA ALA 8 0.927 8.492 -10.602 45 HB1 ALA 8 HB1 ALA 8 -0.242 8.900 -8.757 46 HB2 ALA 8 HB2 ALA 8 -1.205 7.474 -9.144 47 HB3 ALA 8 HB3 ALA 8 0.180 7.336 -8.062 48 H ASP 9 H ASP 9 0.976 5.304 -9.034 49 HA ASP 9 HA ASP 9 2.613 4.099 -8.033 50 HB2 ASP 9 HB2 ASP 9 3.226 4.075 -10.514 51 HB3 ASP 9 HB3 ASP 9 4.504 5.202 -10.083 52 H LEU 10 H LEU 10 2.295 5.996 -6.426 53 HA LEU 10 HA LEU 10 4.648 7.632 -6.022 54 HB2 LEU 10 HB2 LEU 10 3.508 8.527 -4.119 55 HB3 LEU 10 HB3 LEU 10 2.353 8.404 -5.434 56 HG LEU 10 HG LEU 10 2.239 5.996 -3.907 57 HD11 LEU 10 HD11 LEU 10 1.238 7.339 -1.858 58 HD12 LEU 10 HD12 LEU 10 2.933 6.852 -1.919 59 HD13 LEU 10 HD13 LEU 10 2.474 8.503 -2.340 60 HD21 LEU 10 HD21 LEU 10 0.081 6.275 -4.362 61 HD22 LEU 10 HD22 LEU 10 0.037 7.843 -3.556 62 HD23 LEU 10 HD23 LEU 10 0.547 7.731 -5.241 63 H LYS 11 H LYS 11 3.596 4.520 -5.240 64 HA LYS 11 HA LYS 11 4.450 2.800 -4.079 65 HB2 LYS 11 HB2 LYS 11 6.811 4.631 -4.156 66 HB3 LYS 11 HB3 LYS 11 6.870 3.173 -3.171 67 HG2 LYS 11 HG2 LYS 11 6.294 3.272 -6.123 68 HG3 LYS 11 HG3 LYS 11 7.826 2.810 -5.382 69 HD2 LYS 11 HD2 LYS 11 7.032 0.786 -4.682 70 HD3 LYS 11 HD3 LYS 11 5.382 1.385 -4.484 71 HE2 LYS 11 HE2 LYS 11 5.955 -0.281 -6.411 72 HE3 LYS 11 HE3 LYS 11 4.861 1.069 -6.702 73 HZ1 LYS 11 HZ1 LYS 11 6.917 0.512 -8.268 74 HZ2 LYS 11 HZ2 LYS 11 7.692 1.559 -7.188 75 HZ3 LYS 11 HZ3 LYS 11 6.332 2.090 -8.056 76 H CYS 12 H CYS 12 3.382 2.391 -2.332 77 HA CYS 12 HA CYS 12 3.300 4.229 -0.105 78 HB2 CYS 12 HB2 CYS 12 1.777 2.232 0.720 79 HB3 CYS 12 HB3 CYS 12 1.216 3.331 -0.532 80 HA PRO 13 HA PRO 13 6.067 2.239 2.662 81 HB2 PRO 13 HB2 PRO 13 4.063 1.079 4.491 82 HB3 PRO 13 HB3 PRO 13 5.301 2.298 4.801 83 HG2 PRO 13 HG2 PRO 13 2.706 2.945 4.657 84 HG3 PRO 13 HG3 PRO 13 3.974 4.031 4.060 85 HD2 PRO 13 HD2 PRO 13 2.144 2.231 2.531 86 HD3 PRO 13 HD3 PRO 13 2.707 3.868 2.138 87 H THR 14 H THR 14 3.431 0.043 1.876 88 HA THR 14 HA THR 14 4.827 -2.282 2.769 89 HB THR 14 HB THR 14 2.394 -2.200 0.987 90 HG1 THR 14 HG1 THR 14 1.376 -1.418 2.670 91 HG21 THR 14 HG21 THR 14 2.851 -4.276 3.056 92 HG22 THR 14 HG22 THR 14 3.856 -4.347 1.608 93 HG23 THR 14 HG23 THR 14 2.099 -4.409 1.466 94 HA PRO 15 HA PRO 15 7.340 -2.798 -0.885 95 HB2 PRO 15 HB2 PRO 15 7.878 -5.436 0.343 96 HB3 PRO 15 HB3 PRO 15 9.007 -4.158 -0.113 97 HG2 PRO 15 HG2 PRO 15 8.460 -4.633 2.441 98 HG3 PRO 15 HG3 PRO 15 8.668 -2.976 1.846 99 HD2 PRO 15 HD2 PRO 15 6.135 -4.463 2.444 100 HD3 PRO 15 HD3 PRO 15 6.573 -2.787 2.839 101 H GLY 16 H GLY 16 5.316 -5.468 0.328 102 HA2 GLY 16 HA2 GLY 16 5.246 -6.770 -2.226 103 HA3 GLY 16 HA3 GLY 16 4.331 -7.228 -0.801 104 H CYS 17 H CYS 17 3.702 -4.099 -1.078 105 HA CYS 17 HA CYS 17 1.172 -4.531 -2.433 106 HB2 CYS 17 HB2 CYS 17 1.449 -3.290 -0.231 107 HB3 CYS 17 HB3 CYS 17 2.203 -1.999 -1.154 108 H ASP 18 H ASP 18 0.721 -2.021 -3.476 109 HA ASP 18 HA ASP 18 2.845 -1.533 -5.421 110 HB2 ASP 18 HB2 ASP 18 1.637 -2.120 -7.283 111 HB3 ASP 18 HB3 ASP 18 0.978 -3.271 -6.123 112 H GLY 19 H GLY 19 -0.241 -0.563 -4.015 113 HA2 GLY 19 HA2 GLY 19 -0.217 1.816 -3.234 114 HA3 GLY 19 HA3 GLY 19 0.338 2.211 -4.854 115 H SER 20 H SER 20 -1.689 -0.164 -5.534 116 HA SER 20 HA SER 20 -3.982 1.664 -5.762 117 HB2 SER 20 HB2 SER 20 -3.711 -0.834 -7.398 118 HB3 SER 20 HB3 SER 20 -4.539 0.674 -7.791 119 HG SER 20 HG SER 20 -1.756 0.126 -7.784 120 H GLY 21 H GLY 21 -6.073 0.886 -5.390 121 HA2 GLY 21 HA2 GLY 21 -7.692 -0.593 -4.582 122 HA3 GLY 21 HA3 GLY 21 -6.423 -1.745 -4.193 123 H HIS 22 H HIS 22 -8.093 -1.690 -2.303 124 HA HIS 22 HA HIS 22 -6.702 -0.416 -0.109 125 HB2 HIS 22 HB2 HIS 22 -9.410 0.477 -0.972 126 HB3 HIS 22 HB3 HIS 22 -9.194 0.207 0.749 127 HD1 HIS 22 HD1 HIS 22 -8.339 2.142 2.035 128 HD2 HIS 22 HD2 HIS 22 -7.452 2.458 -2.016 129 HE1 HIS 22 HE1 HIS 22 -7.373 4.436 1.729 130 HE2 HIS 22 HE2 HIS 22 -6.994 4.673 -0.749 131 H ILE 23 H ILE 23 -7.184 -1.417 1.898 132 HA ILE 23 HA ILE 23 -8.218 -4.103 1.730 133 HB ILE 23 HB ILE 23 -6.563 -2.747 3.526 134 HG12 ILE 23 HG12 ILE 23 -6.491 -5.133 2.808 135 HG13 ILE 23 HG13 ILE 23 -6.253 -4.906 4.537 136 HG21 ILE 23 HG21 ILE 23 -8.625 -1.972 4.698 137 HG22 ILE 23 HG22 ILE 23 -8.989 -3.661 5.054 138 HG23 ILE 23 HG23 ILE 23 -7.521 -2.920 5.696 139 HD11 ILE 23 HD11 ILE 23 -7.726 -6.828 3.847 140 HD12 ILE 23 HD12 ILE 23 -8.411 -5.717 5.034 141 HD13 ILE 23 HD13 ILE 23 -8.913 -5.623 3.345 142 H THR 24 H THR 24 -9.348 -0.947 2.568 143 HA THR 24 HA THR 24 -11.863 -1.755 3.668 144 HB THR 24 HB THR 24 -10.445 0.568 3.702 145 HG1 THR 24 HG1 THR 24 -13.254 0.251 4.125 146 HG21 THR 24 HG21 THR 24 -11.098 1.083 1.369 147 HG22 THR 24 HG22 THR 24 -11.635 2.296 2.533 148 HG23 THR 24 HG23 THR 24 -12.782 1.122 1.884 149 H GLY 25 H GLY 25 -10.571 -1.697 0.555 150 HA2 GLY 25 HA2 GLY 25 -11.433 -2.206 -1.499 151 HA3 GLY 25 HA3 GLY 25 -12.795 -2.855 -0.609 152 H ASN 26 H ASN 26 -12.434 0.447 -0.027 153 HA ASN 26 HA ASN 26 -14.708 0.952 -1.795 154 HB2 ASN 26 HB2 ASN 26 -13.853 1.950 0.868 155 HB3 ASN 26 HB3 ASN 26 -14.749 3.069 -0.152 156 HD21 ASN 26 HD21 ASN 26 -14.838 -0.224 1.141 157 HD22 ASN 26 HD22 ASN 26 -16.556 -0.290 1.301 158 H TYR 27 H TYR 27 -11.653 1.250 -2.325 159 HA TYR 27 HA TYR 27 -11.939 3.785 -3.741 160 HB2 TYR 27 HB2 TYR 27 -9.536 3.146 -2.013 161 HB3 TYR 27 HB3 TYR 27 -9.679 4.527 -3.089 162 HD1 TYR 27 HD2 TYR 27 -10.964 3.017 0.030 163 HD2 TYR 27 HD1 TYR 27 -10.822 6.502 -2.409 164 HE1 TYR 27 HE2 TYR 27 -11.927 4.334 1.864 165 HE2 TYR 27 HE1 TYR 27 -11.775 7.830 -0.573 166 HH TYR 27 HH TYR 27 -12.910 6.308 2.399 167 H ALA 28 H ALA 28 -9.860 4.080 -5.163 168 HA ALA 28 HA ALA 28 -9.417 1.499 -6.502 169 HB1 ALA 28 HB1 ALA 28 -8.835 2.838 -8.482 170 HB2 ALA 28 HB2 ALA 28 -10.471 3.157 -7.907 171 HB3 ALA 28 HB3 ALA 28 -9.176 4.307 -7.568 172 H SER 29 H SER 29 -7.829 4.087 -4.832 173 HA SER 29 HA SER 29 -5.344 2.610 -4.881 174 HB2 SER 29 HB2 SER 29 -4.334 5.074 -5.550 175 HB3 SER 29 HB3 SER 29 -4.528 3.728 -6.673 176 HG SER 29 HG SER 29 -6.418 5.803 -6.184 177 H HIS 30 H HIS 30 -3.658 3.723 -3.505 178 HA HIS 30 HA HIS 30 -4.849 5.531 -1.523 179 HB2 HIS 30 HB2 HIS 30 -3.656 4.231 0.288 180 HB3 HIS 30 HB3 HIS 30 -5.078 3.463 -0.394 181 HD1 HIS 30 HD1 HIS 30 -4.549 1.446 -2.150 182 HD2 HIS 30 HD2 HIS 30 -1.399 2.770 0.229 183 HE1 HIS 30 HE1 HIS 30 -2.775 -0.364 -2.226 184 H ARG 31 H ARG 31 -2.577 5.381 0.224 185 HA ARG 31 HA ARG 31 -0.340 6.302 -1.395 186 HB2 ARG 31 HB2 ARG 31 -2.078 8.030 0.280 187 HB3 ARG 31 HB3 ARG 31 -0.345 8.300 0.404 188 HG2 ARG 31 HG2 ARG 31 -0.756 8.158 -2.310 189 HG3 ARG 31 HG3 ARG 31 -2.192 8.999 -1.724 190 HD2 ARG 31 HD2 ARG 31 0.567 9.794 -0.850 191 HD3 ARG 31 HD3 ARG 31 -0.141 10.405 -2.345 192 HE ARG 31 HE ARG 31 -1.129 10.925 0.382 193 HH11 ARG 31 HH12 ARG 31 -1.173 11.603 -3.059 194 HH12 ARG 31 HH11 ARG 31 -2.080 13.077 -2.885 195 HH21 ARG 31 HH22 ARG 31 -2.319 12.853 0.619 196 HH22 ARG 31 HH21 ARG 31 -2.712 13.799 -0.790 197 H SER 32 H SER 32 -1.694 5.336 1.696 198 HA SER 32 HA SER 32 1.038 4.751 2.629 199 HB2 SER 32 HB2 SER 32 -0.885 5.532 4.720 200 HB3 SER 32 HB3 SER 32 0.810 5.969 4.522 201 HG SER 32 HG SER 32 0.132 7.450 2.876 202 H LEU 33 H LEU 33 0.504 3.601 5.035 203 HA LEU 33 HA LEU 33 -0.397 1.023 4.243 204 HB2 LEU 33 HB2 LEU 33 0.980 2.233 6.506 205 HB3 LEU 33 HB3 LEU 33 -0.143 0.981 7.003 206 HG LEU 33 HG LEU 33 1.819 0.424 4.814 207 HD11 LEU 33 HD11 LEU 33 3.296 -0.505 6.673 208 HD12 LEU 33 HD12 LEU 33 3.297 1.244 6.445 209 HD13 LEU 33 HD13 LEU 33 2.373 0.528 7.767 210 HD21 LEU 33 HD21 LEU 33 0.887 -1.429 6.971 211 HD22 LEU 33 HD22 LEU 33 -0.148 -1.076 5.587 212 HD23 LEU 33 HD23 LEU 33 1.440 -1.802 5.339 213 H SER 34 H SER 34 -2.058 3.699 5.247 214 HA SER 34 HA SER 34 -4.106 2.384 6.787 215 HB2 SER 34 HB2 SER 34 -4.972 4.876 5.668 216 HB3 SER 34 HB3 SER 34 -4.567 4.512 7.346 217 HG SER 34 HG SER 34 -2.375 4.943 6.851 218 H GLY 35 H GLY 35 -3.247 2.494 3.569 219 HA2 GLY 35 HA2 GLY 35 -5.997 1.825 2.737 220 HA3 GLY 35 HA3 GLY 35 -4.914 2.768 1.724 221 H CYS 36 H CYS 36 -2.749 0.808 2.900 222 HA CYS 36 HA CYS 36 -2.461 -0.782 0.631 223 HB2 CYS 36 HB2 CYS 36 -1.345 -0.964 3.420 224 HB3 CYS 36 HB3 CYS 36 -0.983 -2.209 2.231 225 HA PRO 37 HA PRO 37 -5.581 -3.883 1.697 226 HB2 PRO 37 HB2 PRO 37 -5.582 -5.119 -0.708 227 HB3 PRO 37 HB3 PRO 37 -6.447 -3.603 -0.421 228 HG2 PRO 37 HG2 PRO 37 -3.815 -4.066 -1.752 229 HG3 PRO 37 HG3 PRO 37 -5.106 -2.929 -2.180 230 HD2 PRO 37 HD2 PRO 37 -2.823 -2.227 -0.826 231 HD3 PRO 37 HD3 PRO 37 -4.357 -1.345 -0.715 232 H ARG 38 H ARG 38 -2.356 -4.164 0.534 233 HA ARG 38 HA ARG 38 -2.168 -6.931 1.521 234 HB2 ARG 38 HB2 ARG 38 -0.308 -5.383 -0.297 235 HB3 ARG 38 HB3 ARG 38 0.022 -6.990 0.331 236 HG2 ARG 38 HG2 ARG 38 -1.148 -7.932 -1.287 237 HG3 ARG 38 HG3 ARG 38 -2.550 -6.914 -0.946 238 HD2 ARG 38 HD2 ARG 38 -0.669 -5.244 -2.165 239 HD3 ARG 38 HD3 ARG 38 -0.641 -6.747 -3.085 240 HE ARG 38 HE ARG 38 -3.242 -6.354 -2.970 241 HH11 ARG 38 HH12 ARG 38 -0.750 -3.954 -3.445 242 HH12 ARG 38 HH11 ARG 38 -1.681 -3.010 -4.572 243 HH21 ARG 38 HH22 ARG 38 -4.505 -5.091 -4.387 244 HH22 ARG 38 HH21 ARG 38 -3.837 -3.642 -5.076 245 H ALA 39 H ALA 39 -2.404 -4.640 3.173 246 HA ALA 39 HA ALA 39 -0.329 -3.224 4.024 247 HB1 ALA 39 HB1 ALA 39 -2.788 -4.031 5.151 248 HB2 ALA 39 HB2 ALA 39 -1.558 -4.161 6.409 249 HB3 ALA 39 HB3 ALA 39 -1.796 -2.632 5.564 250 H LYS 40 H LYS 40 1.595 -3.446 4.901 251 HA LYS 40 HA LYS 40 2.670 -6.027 5.469 252 HB2 LYS 40 HB2 LYS 40 4.240 -4.590 4.545 253 HB3 LYS 40 HB3 LYS 40 3.672 -3.207 5.466 254 HG2 LYS 40 HG2 LYS 40 4.603 -4.711 7.470 255 HG3 LYS 40 HG3 LYS 40 5.651 -5.272 6.163 256 HD2 LYS 40 HD2 LYS 40 6.905 -3.480 6.686 257 HD3 LYS 40 HD3 LYS 40 5.696 -2.586 5.762 258 HE2 LYS 40 HE2 LYS 40 6.402 -1.935 8.263 259 HE3 LYS 40 HE3 LYS 40 4.794 -1.632 7.606 260 HZ1 LYS 40 HZ1 LYS 40 5.504 -4.093 9.107 261 HZ2 LYS 40 HZ2 LYS 40 3.953 -3.556 8.670 262 HZ3 LYS 40 HZ3 LYS 40 4.843 -2.712 9.842 263 H LYS 41 H LYS 41 1.893 -7.003 7.206 264 HA LYS 41 HA LYS 41 2.254 -5.766 9.818 265 HB2 LYS 41 HB2 LYS 41 -0.191 -5.525 8.746 266 HB3 LYS 41 HB3 LYS 41 -0.351 -7.143 9.412 267 HG2 LYS 41 HG2 LYS 41 -0.834 -6.237 11.369 268 HG3 LYS 41 HG3 LYS 41 0.808 -5.593 11.435 269 HD2 LYS 41 HD2 LYS 41 -0.027 -3.533 11.325 270 HD3 LYS 41 HD3 LYS 41 -0.662 -3.900 9.719 271 HE2 LYS 41 HE2 LYS 41 -2.769 -4.328 10.496 272 HE3 LYS 41 HE3 LYS 41 -2.196 -4.851 12.078 273 HZ1 LYS 41 HZ1 LYS 41 -2.770 -2.863 12.821 274 HZ2 LYS 41 HZ2 LYS 41 -3.098 -2.287 11.259 275 HZ3 LYS 41 HZ3 LYS 41 -1.525 -2.185 11.891 276 H SER 42 H SER 42 1.050 -8.584 8.050 277 HA SER 42 HA SER 42 2.381 -10.337 10.004 278 HB2 SER 42 HB2 SER 42 0.775 -11.683 7.977 279 HB3 SER 42 HB3 SER 42 0.675 -11.789 9.735 280 HG SER 42 HG SER 42 -0.473 -9.787 8.068 281 H GLY 43 H GLY 43 3.711 -8.751 8.018 282 HA2 GLY 43 HA2 GLY 43 5.764 -10.002 6.991 283 HA3 GLY 43 HA3 GLY 43 4.503 -10.664 5.954 284 H LEU 44 H LEU 44 6.672 -9.098 5.003 285 HA LEU 44 HA LEU 44 5.699 -6.404 4.642 286 HB2 LEU 44 HB2 LEU 44 7.960 -7.570 3.059 287 HB3 LEU 44 HB3 LEU 44 7.734 -5.923 3.616 288 HG LEU 44 HG LEU 44 8.271 -8.189 5.522 289 HD11 LEU 44 HD11 LEU 44 10.618 -7.566 5.476 290 HD12 LEU 44 HD12 LEU 44 10.090 -8.087 3.876 291 HD13 LEU 44 HD13 LEU 44 10.294 -6.369 4.221 292 HD21 LEU 44 HD21 LEU 44 7.389 -5.722 6.065 293 HD22 LEU 44 HD22 LEU 44 8.492 -6.599 7.126 294 HD23 LEU 44 HD23 LEU 44 9.122 -5.396 6.002 295 H ARG 45 H ARG 45 4.722 -9.181 3.352 296 HA ARG 45 HA ARG 45 3.619 -7.866 1.024 297 HB2 ARG 45 HB2 ARG 45 4.287 -9.623 -0.547 298 HB3 ARG 45 HB3 ARG 45 5.698 -8.814 0.121 299 HG2 ARG 45 HG2 ARG 45 5.275 -10.944 1.836 300 HG3 ARG 45 HG3 ARG 45 4.919 -11.603 0.239 301 HD2 ARG 45 HD2 ARG 45 7.057 -11.333 -0.501 302 HD3 ARG 45 HD3 ARG 45 7.349 -9.926 0.521 303 HE ARG 45 HE ARG 45 7.252 -12.679 1.592 304 HH11 ARG 45 HH12 ARG 45 8.799 -9.535 1.325 305 HH12 ARG 45 HH11 ARG 45 10.019 -9.907 2.514 306 HH21 ARG 45 HH22 ARG 45 8.851 -13.142 3.157 307 HH22 ARG 45 HH21 ARG 45 10.027 -11.932 3.569 308 H VAL 46 H VAL 46 1.911 -9.191 0.023 309 HA VAL 46 HA VAL 46 0.880 -11.309 1.762 310 HB VAL 46 HB VAL 46 -0.700 -8.904 0.828 311 HG11 VAL 46 HG11 VAL 46 -2.719 -9.962 1.466 312 HG12 VAL 46 HG12 VAL 46 -1.876 -11.098 0.413 313 HG13 VAL 46 HG13 VAL 46 -1.862 -11.338 2.162 314 HG21 VAL 46 HG21 VAL 46 0.237 -9.940 3.444 315 HG22 VAL 46 HG22 VAL 46 0.052 -8.278 2.882 316 HG23 VAL 46 HG23 VAL 46 -1.363 -9.198 3.394 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 11.122 25.837 1.556 2 H2 GLY 1 H2 GLY 1 10.307 24.570 2.345 3 H3 GLY 1 H3 GLY 1 9.424 25.781 1.556 4 HA2 GLY 1 HA3 GLY 1 10.056 25.046 -0.561 5 HA3 GLY 1 HA2 GLY 1 11.313 24.020 0.118 6 H SER 2 H SER 2 9.650 22.852 -1.602 7 HA SER 2 HA SER 2 7.827 21.295 0.116 8 HB2 SER 2 HB2 SER 2 7.294 21.226 -2.776 9 HB3 SER 2 HB3 SER 2 6.177 21.435 -1.430 10 HG SER 2 HG SER 2 7.359 23.312 -3.028 11 H MET 3 H MET 3 8.978 19.520 0.594 12 HA MET 3 HA MET 3 10.802 18.361 -1.319 13 HB2 MET 3 HB2 MET 3 11.659 17.139 0.425 14 HB3 MET 3 HB3 MET 3 10.959 18.481 1.314 15 HG2 MET 3 HG2 MET 3 9.667 17.107 2.462 16 HG3 MET 3 HG3 MET 3 8.997 16.423 0.980 17 HE1 MET 3 HE1 MET 3 9.931 13.738 3.593 18 HE2 MET 3 HE2 MET 3 8.698 14.826 2.956 19 HE3 MET 3 HE3 MET 3 9.148 13.382 2.051 20 H ALA 4 H ALA 4 10.726 16.155 -2.032 21 HA ALA 4 HA ALA 4 9.716 14.479 -3.180 22 HB1 ALA 4 HB1 ALA 4 7.448 13.826 -1.698 23 HB2 ALA 4 HB2 ALA 4 9.055 13.114 -1.553 24 HB3 ALA 4 HB3 ALA 4 8.594 14.465 -0.518 25 H ALA 5 H ALA 5 6.598 14.236 -2.660 26 HA ALA 5 HA ALA 5 5.787 16.406 -4.457 27 HB1 ALA 5 HB1 ALA 5 4.240 14.683 -5.555 28 HB2 ALA 5 HB2 ALA 5 5.950 14.637 -5.985 29 HB3 ALA 5 HB3 ALA 5 5.299 13.469 -4.838 30 H HIS 6 H HIS 6 3.624 17.051 -4.237 31 HA HIS 6 HA HIS 6 2.548 16.728 -1.607 32 HB2 HIS 6 HB2 HIS 6 2.322 18.669 -3.484 33 HB3 HIS 6 HB3 HIS 6 0.810 17.809 -3.757 34 HD1 HIS 6 HD1 HIS 6 -0.574 19.798 -2.855 35 HD2 HIS 6 HD2 HIS 6 2.099 18.186 -0.105 36 HE1 HIS 6 HE1 HIS 6 -1.228 20.759 -0.625 37 HE2 HIS 6 HE2 HIS 6 0.526 19.929 0.981 38 H SER 7 H SER 7 1.498 15.754 -4.847 39 HA SER 7 HA SER 7 -0.378 13.840 -3.662 40 HB2 SER 7 HB2 SER 7 -0.686 13.620 -6.379 41 HB3 SER 7 HB3 SER 7 -1.636 14.698 -5.351 42 HG SER 7 HG SER 7 0.745 15.332 -6.785 43 H ALA 8 H ALA 8 1.957 12.956 -3.028 44 HA ALA 8 HA ALA 8 3.332 11.535 -5.108 45 HB1 ALA 8 HB1 ALA 8 4.964 11.124 -3.563 46 HB2 ALA 8 HB2 ALA 8 4.214 12.558 -2.860 47 HB3 ALA 8 HB3 ALA 8 3.815 10.959 -2.235 48 H ASP 9 H ASP 9 0.888 10.643 -5.336 49 HA ASP 9 HA ASP 9 0.565 8.108 -3.900 50 HB2 ASP 9 HB2 ASP 9 -1.304 9.857 -4.615 51 HB3 ASP 9 HB3 ASP 9 -1.224 8.980 -6.139 52 H LEU 10 H LEU 10 2.819 7.881 -5.173 53 HA LEU 10 HA LEU 10 2.361 6.628 -7.775 54 HB2 LEU 10 HB2 LEU 10 4.969 6.709 -6.267 55 HB3 LEU 10 HB3 LEU 10 4.722 6.465 -7.986 56 HG LEU 10 HG LEU 10 3.922 9.065 -6.735 57 HD11 LEU 10 HD11 LEU 10 6.299 9.782 -7.548 58 HD12 LEU 10 HD12 LEU 10 6.077 9.093 -5.939 59 HD13 LEU 10 HD13 LEU 10 6.690 8.087 -7.251 60 HD21 LEU 10 HD21 LEU 10 3.601 8.137 -9.220 61 HD22 LEU 10 HD22 LEU 10 3.870 9.843 -8.858 62 HD23 LEU 10 HD23 LEU 10 5.214 8.829 -9.382 63 H LYS 11 H LYS 11 3.309 5.937 -4.480 64 HA LYS 11 HA LYS 11 1.885 3.587 -4.350 65 HB2 LYS 11 HB2 LYS 11 3.654 1.903 -4.117 66 HB3 LYS 11 HB3 LYS 11 3.613 2.576 -5.737 67 HG2 LYS 11 HG2 LYS 11 5.815 2.784 -5.504 68 HG3 LYS 11 HG3 LYS 11 5.439 4.182 -4.492 69 HD2 LYS 11 HD2 LYS 11 7.004 2.648 -3.388 70 HD3 LYS 11 HD3 LYS 11 5.480 2.791 -2.510 71 HE2 LYS 11 HE2 LYS 11 4.830 0.684 -3.949 72 HE3 LYS 11 HE3 LYS 11 6.581 0.481 -4.037 73 HZ1 LYS 11 HZ1 LYS 11 6.727 -0.029 -1.858 74 HZ2 LYS 11 HZ2 LYS 11 5.107 -0.489 -2.055 75 HZ3 LYS 11 HZ3 LYS 11 5.481 1.026 -1.398 76 H CYS 12 H CYS 12 2.385 2.427 -2.305 77 HA CYS 12 HA CYS 12 2.616 4.407 -0.219 78 HB2 CYS 12 HB2 CYS 12 1.453 2.787 1.121 79 HB3 CYS 12 HB3 CYS 12 0.708 2.779 -0.476 80 HA PRO 13 HA PRO 13 6.343 2.851 1.739 81 HB2 PRO 13 HB2 PRO 13 5.703 2.150 4.274 82 HB3 PRO 13 HB3 PRO 13 5.728 3.829 3.734 83 HG2 PRO 13 HG2 PRO 13 3.388 1.984 4.008 84 HG3 PRO 13 HG3 PRO 13 3.556 3.664 4.557 85 HD2 PRO 13 HD2 PRO 13 2.279 3.045 2.276 86 HD3 PRO 13 HD3 PRO 13 3.250 4.523 2.432 87 H THR 14 H THR 14 3.598 0.738 1.760 88 HA THR 14 HA THR 14 4.913 -1.588 2.745 89 HB THR 14 HB THR 14 2.316 -1.225 1.253 90 HG1 THR 14 HG1 THR 14 1.490 -1.074 3.214 91 HG21 THR 14 HG21 THR 14 1.787 -3.550 1.946 92 HG22 THR 14 HG22 THR 14 3.465 -3.750 2.447 93 HG23 THR 14 HG23 THR 14 3.081 -3.465 0.750 94 HA PRO 15 HA PRO 15 7.205 -2.481 -0.988 95 HB2 PRO 15 HB2 PRO 15 7.866 -4.954 0.488 96 HB3 PRO 15 HB3 PRO 15 8.941 -3.720 -0.169 97 HG2 PRO 15 HG2 PRO 15 8.565 -3.918 2.450 98 HG3 PRO 15 HG3 PRO 15 8.684 -2.329 1.668 99 HD2 PRO 15 HD2 PRO 15 6.232 -3.817 2.554 100 HD3 PRO 15 HD3 PRO 15 6.647 -2.103 2.780 101 H GLY 16 H GLY 16 5.019 -4.719 0.596 102 HA2 GLY 16 HA2 GLY 16 4.975 -6.544 -1.619 103 HA3 GLY 16 HA3 GLY 16 3.999 -6.651 -0.164 104 H CYS 17 H CYS 17 3.457 -3.638 -1.025 105 HA CYS 17 HA CYS 17 0.933 -4.233 -2.298 106 HB2 CYS 17 HB2 CYS 17 2.231 -1.917 -1.012 107 HB3 CYS 17 HB3 CYS 17 1.145 -1.524 -2.332 108 H ASP 18 H ASP 18 0.288 -2.711 -4.094 109 HA ASP 18 HA ASP 18 2.481 -2.292 -6.010 110 HB2 ASP 18 HB2 ASP 18 1.175 -2.909 -7.802 111 HB3 ASP 18 HB3 ASP 18 0.535 -3.996 -6.576 112 H GLY 19 H GLY 19 0.212 -0.932 -3.989 113 HA2 GLY 19 HA2 GLY 19 0.248 1.420 -3.589 114 HA3 GLY 19 HA3 GLY 19 0.554 1.673 -5.300 115 H SER 20 H SER 20 -1.600 -0.395 -5.884 116 HA SER 20 HA SER 20 -3.796 1.527 -5.684 117 HB2 SER 20 HB2 SER 20 -4.052 -0.856 -7.428 118 HB3 SER 20 HB3 SER 20 -4.492 0.824 -7.741 119 HG SER 20 HG SER 20 -2.032 -0.490 -8.087 120 H GLY 21 H GLY 21 -5.889 0.876 -5.121 121 HA2 GLY 21 HA2 GLY 21 -7.528 -0.615 -4.370 122 HA3 GLY 21 HA3 GLY 21 -6.283 -1.828 -4.114 123 H HIS 22 H HIS 22 -8.217 -1.506 -2.289 124 HA HIS 22 HA HIS 22 -6.697 -0.662 0.054 125 HB2 HIS 22 HB2 HIS 22 -9.257 0.547 -0.838 126 HB3 HIS 22 HB3 HIS 22 -9.167 0.109 0.860 127 HD1 HIS 22 HD1 HIS 22 -8.531 2.004 2.250 128 HD2 HIS 22 HD2 HIS 22 -6.743 2.213 -1.493 129 HE1 HIS 22 HE1 HIS 22 -7.220 4.136 2.249 130 HE2 HIS 22 HE2 HIS 22 -6.340 4.355 -0.096 131 H ILE 23 H ILE 23 -7.594 -1.584 2.047 132 HA ILE 23 HA ILE 23 -8.584 -4.252 1.720 133 HB ILE 23 HB ILE 23 -7.708 -2.541 3.956 134 HG12 ILE 23 HG12 ILE 23 -6.241 -4.244 3.199 135 HG13 ILE 23 HG13 ILE 23 -6.855 -4.787 4.756 136 HG21 ILE 23 HG21 ILE 23 -10.016 -4.399 4.282 137 HG22 ILE 23 HG22 ILE 23 -8.838 -4.233 5.585 138 HG23 ILE 23 HG23 ILE 23 -9.726 -2.820 5.011 139 HD11 ILE 23 HD11 ILE 23 -6.933 -6.112 2.254 140 HD12 ILE 23 HD12 ILE 23 -7.505 -6.677 3.823 141 HD13 ILE 23 HD13 ILE 23 -8.589 -5.781 2.757 142 H THR 24 H THR 24 -9.903 -1.106 2.534 143 HA THR 24 HA THR 24 -12.517 -1.976 3.196 144 HB THR 24 HB THR 24 -11.557 0.237 3.840 145 HG1 THR 24 HG1 THR 24 -13.917 -0.298 3.664 146 HG21 THR 24 HG21 THR 24 -10.544 0.793 1.663 147 HG22 THR 24 HG22 THR 24 -11.599 2.074 2.259 148 HG23 THR 24 HG23 THR 24 -12.158 0.993 0.982 149 H GLY 25 H GLY 25 -10.898 -1.681 0.197 150 HA2 GLY 25 HA2 GLY 25 -11.584 -1.964 -1.976 151 HA3 GLY 25 HA3 GLY 25 -13.002 -2.755 -1.303 152 H ASN 26 H ASN 26 -12.127 0.540 -0.622 153 HA ASN 26 HA ASN 26 -14.513 1.445 -2.089 154 HB2 ASN 26 HB2 ASN 26 -13.575 1.911 0.702 155 HB3 ASN 26 HB3 ASN 26 -14.418 3.226 -0.104 156 HD21 ASN 26 HD21 ASN 26 -14.945 1.040 2.062 157 HD22 ASN 26 HD22 ASN 26 -16.566 0.559 1.696 158 H TYR 27 H TYR 27 -11.387 1.536 -2.412 159 HA TYR 27 HA TYR 27 -11.329 4.320 -3.318 160 HB2 TYR 27 HB2 TYR 27 -9.260 2.879 -1.663 161 HB3 TYR 27 HB3 TYR 27 -8.869 4.286 -2.626 162 HD1 TYR 27 HD2 TYR 27 -11.032 3.121 0.163 163 HD2 TYR 27 HD1 TYR 27 -9.249 6.454 -1.798 164 HE1 TYR 27 HE2 TYR 27 -11.736 4.582 2.012 165 HE2 TYR 27 HE1 TYR 27 -9.937 7.917 0.053 166 HH TYR 27 HH TYR 27 -11.934 7.779 1.865 167 H ALA 28 H ALA 28 -9.349 4.617 -4.798 168 HA ALA 28 HA ALA 28 -9.255 2.316 -6.613 169 HB1 ALA 28 HB1 ALA 28 -9.205 3.774 -8.305 170 HB2 ALA 28 HB2 ALA 28 -9.653 4.992 -7.109 171 HB3 ALA 28 HB3 ALA 28 -7.958 4.755 -7.535 172 H SER 29 H SER 29 -7.218 4.460 -4.705 173 HA SER 29 HA SER 29 -5.100 2.513 -4.707 174 HB2 SER 29 HB2 SER 29 -3.615 4.726 -5.458 175 HB3 SER 29 HB3 SER 29 -3.992 3.343 -6.484 176 HG SER 29 HG SER 29 -4.532 5.484 -7.338 177 H HIS 30 H HIS 30 -3.089 3.601 -3.578 178 HA HIS 30 HA HIS 30 -3.753 5.659 -1.667 179 HB2 HIS 30 HB2 HIS 30 -3.395 4.290 0.297 180 HB3 HIS 30 HB3 HIS 30 -4.703 3.599 -0.647 181 HD1 HIS 30 HD1 HIS 30 -4.028 1.380 -2.073 182 HD2 HIS 30 HD2 HIS 30 -1.336 2.626 0.846 183 HE1 HIS 30 HE1 HIS 30 -2.437 -0.557 -1.689 184 H ARG 31 H ARG 31 -1.831 6.103 -0.224 185 HA ARG 31 HA ARG 31 0.679 5.075 -1.312 186 HB2 ARG 31 HB2 ARG 31 1.650 7.422 -1.169 187 HB3 ARG 31 HB3 ARG 31 0.577 7.094 -2.512 188 HG2 ARG 31 HG2 ARG 31 -0.297 9.070 -1.917 189 HG3 ARG 31 HG3 ARG 31 -1.204 8.070 -0.780 190 HD2 ARG 31 HD2 ARG 31 -0.085 10.142 0.166 191 HD3 ARG 31 HD3 ARG 31 0.210 8.616 0.994 192 HE ARG 31 HE ARG 31 2.379 8.575 -0.280 193 HH11 ARG 31 HH12 ARG 31 0.749 11.603 0.382 194 HH12 ARG 31 HH11 ARG 31 2.227 12.515 0.533 195 HH21 ARG 31 HH22 ARG 31 4.318 9.763 -0.122 196 HH22 ARG 31 HH21 ARG 31 4.267 11.468 0.228 197 H SER 32 H SER 32 -1.070 4.992 1.203 198 HA SER 32 HA SER 32 1.177 5.223 3.044 199 HB2 SER 32 HB2 SER 32 -1.227 6.067 4.390 200 HB3 SER 32 HB3 SER 32 0.325 6.886 4.280 201 HG SER 32 HG SER 32 -1.691 7.905 3.325 202 H LEU 33 H LEU 33 0.843 3.989 5.039 203 HA LEU 33 HA LEU 33 -0.383 1.486 4.466 204 HB2 LEU 33 HB2 LEU 33 1.485 2.586 6.369 205 HB3 LEU 33 HB3 LEU 33 0.338 1.526 7.166 206 HG LEU 33 HG LEU 33 1.741 0.614 4.693 207 HD11 LEU 33 HD11 LEU 33 3.485 1.462 6.201 208 HD12 LEU 33 HD12 LEU 33 2.851 0.436 7.489 209 HD13 LEU 33 HD13 LEU 33 3.541 -0.295 6.039 210 HD21 LEU 33 HD21 LEU 33 0.065 -0.873 5.334 211 HD22 LEU 33 HD22 LEU 33 1.522 -1.564 6.050 212 HD23 LEU 33 HD23 LEU 33 0.395 -0.652 7.052 213 H SER 34 H SER 34 -2.297 3.657 4.694 214 HA SER 34 HA SER 34 -3.737 3.050 7.157 215 HB2 SER 34 HB2 SER 34 -5.204 4.830 5.494 216 HB3 SER 34 HB3 SER 34 -4.345 5.205 6.990 217 HG SER 34 HG SER 34 -2.954 6.251 5.821 218 H GLY 35 H GLY 35 -3.719 2.326 3.787 219 HA2 GLY 35 HA2 GLY 35 -6.176 0.748 4.142 220 HA3 GLY 35 HA3 GLY 35 -6.043 1.857 2.793 221 H CYS 36 H CYS 36 -3.293 0.053 3.929 222 HA CYS 36 HA CYS 36 -2.721 -1.035 1.407 223 HB2 CYS 36 HB2 CYS 36 -1.749 -1.628 4.191 224 HB3 CYS 36 HB3 CYS 36 -1.207 -2.594 2.821 225 HA PRO 37 HA PRO 37 -5.566 -4.517 1.670 226 HB2 PRO 37 HB2 PRO 37 -5.402 -5.230 -0.914 227 HB3 PRO 37 HB3 PRO 37 -6.341 -3.827 -0.395 228 HG2 PRO 37 HG2 PRO 37 -3.643 -3.941 -1.654 229 HG3 PRO 37 HG3 PRO 37 -4.953 -2.774 -1.906 230 HD2 PRO 37 HD2 PRO 37 -2.735 -2.351 -0.298 231 HD3 PRO 37 HD3 PRO 37 -4.271 -1.475 -0.167 232 H ARG 38 H ARG 38 -2.258 -4.302 1.066 233 HA ARG 38 HA ARG 38 -1.967 -7.203 1.456 234 HB2 ARG 38 HB2 ARG 38 -0.447 -5.409 -0.421 235 HB3 ARG 38 HB3 ARG 38 0.270 -6.887 0.202 236 HG2 ARG 38 HG2 ARG 38 -0.869 -8.134 -1.247 237 HG3 ARG 38 HG3 ARG 38 -2.390 -7.315 -0.871 238 HD2 ARG 38 HD2 ARG 38 -0.691 -5.526 -2.297 239 HD3 ARG 38 HD3 ARG 38 -0.779 -7.048 -3.174 240 HE ARG 38 HE ARG 38 -3.375 -6.496 -2.544 241 HH11 ARG 38 HH12 ARG 38 -0.822 -4.849 -4.278 242 HH12 ARG 38 HH11 ARG 38 -1.908 -3.871 -5.225 243 HH21 ARG 38 HH22 ARG 38 -4.823 -5.257 -3.834 244 HH22 ARG 38 HH21 ARG 38 -4.177 -4.128 -4.993 245 H ALA 39 H ALA 39 -2.151 -5.330 3.491 246 HA ALA 39 HA ALA 39 0.258 -4.237 4.394 247 HB1 ALA 39 HB1 ALA 39 -1.411 -3.420 5.684 248 HB2 ALA 39 HB2 ALA 39 -2.350 -4.910 5.595 249 HB3 ALA 39 HB3 ALA 39 -0.998 -4.788 6.718 250 H LYS 40 H LYS 40 1.843 -4.989 5.745 251 HA LYS 40 HA LYS 40 2.789 -7.528 5.310 252 HB2 LYS 40 HB2 LYS 40 3.438 -5.370 7.236 253 HB3 LYS 40 HB3 LYS 40 4.080 -6.968 7.591 254 HG2 LYS 40 HG2 LYS 40 5.714 -6.657 6.135 255 HG3 LYS 40 HG3 LYS 40 4.542 -6.397 4.842 256 HD2 LYS 40 HD2 LYS 40 5.113 -4.175 6.748 257 HD3 LYS 40 HD3 LYS 40 6.281 -4.536 5.475 258 HE2 LYS 40 HE2 LYS 40 4.936 -3.761 3.844 259 HE3 LYS 40 HE3 LYS 40 3.481 -4.407 4.601 260 HZ1 LYS 40 HZ1 LYS 40 4.845 -1.841 5.117 261 HZ2 LYS 40 HZ2 LYS 40 3.806 -2.519 6.272 262 HZ3 LYS 40 HZ3 LYS 40 3.217 -2.122 4.731 263 H LYS 41 H LYS 41 1.513 -9.231 5.716 264 HA LYS 41 HA LYS 41 0.351 -9.602 8.366 265 HB2 LYS 41 HB2 LYS 41 0.017 -10.862 5.692 266 HB3 LYS 41 HB3 LYS 41 -0.250 -11.887 7.094 267 HG2 LYS 41 HG2 LYS 41 -2.328 -11.117 7.119 268 HG3 LYS 41 HG3 LYS 41 -1.662 -9.582 7.682 269 HD2 LYS 41 HD2 LYS 41 -1.335 -8.970 5.261 270 HD3 LYS 41 HD3 LYS 41 -2.287 -10.398 4.854 271 HE2 LYS 41 HE2 LYS 41 -4.074 -9.434 6.404 272 HE3 LYS 41 HE3 LYS 41 -3.152 -7.933 6.333 273 HZ1 LYS 41 HZ1 LYS 41 -3.526 -8.920 3.717 274 HZ2 LYS 41 HZ2 LYS 41 -4.079 -7.464 4.395 275 HZ3 LYS 41 HZ3 LYS 41 -5.032 -8.863 4.503 276 H SER 42 H SER 42 0.568 -12.313 8.721 277 HA SER 42 HA SER 42 3.205 -12.659 9.674 278 HB2 SER 42 HB2 SER 42 1.776 -15.154 9.204 279 HB3 SER 42 HB3 SER 42 2.289 -14.423 10.727 280 HG SER 42 HG SER 42 0.398 -13.420 10.928 281 H GLY 43 H GLY 43 1.501 -13.712 6.779 282 HA2 GLY 43 HA2 GLY 43 4.108 -14.516 5.634 283 HA3 GLY 43 HA3 GLY 43 2.578 -15.246 5.161 284 H LEU 44 H LEU 44 4.368 -12.192 5.176 285 HA LEU 44 HA LEU 44 2.640 -10.699 3.583 286 HB2 LEU 44 HB2 LEU 44 5.121 -9.789 2.826 287 HB3 LEU 44 HB3 LEU 44 4.186 -9.214 4.190 288 HG LEU 44 HG LEU 44 5.659 -11.521 5.015 289 HD11 LEU 44 HD11 LEU 44 7.900 -10.915 4.602 290 HD12 LEU 44 HD12 LEU 44 7.086 -10.843 3.039 291 HD13 LEU 44 HD13 LEU 44 7.434 -9.357 3.921 292 HD21 LEU 44 HD21 LEU 44 6.645 -9.857 6.575 293 HD22 LEU 44 HD22 LEU 44 5.804 -8.588 5.685 294 HD23 LEU 44 HD23 LEU 44 4.882 -9.834 6.527 295 H ARG 45 H ARG 45 5.090 -13.024 2.703 296 HA ARG 45 HA ARG 45 4.093 -12.888 -0.060 297 HB2 ARG 45 HB2 ARG 45 6.424 -14.319 -0.292 298 HB3 ARG 45 HB3 ARG 45 6.243 -12.617 -0.688 299 HG2 ARG 45 HG2 ARG 45 8.093 -12.554 0.641 300 HG3 ARG 45 HG3 ARG 45 6.826 -12.276 1.838 301 HD2 ARG 45 HD2 ARG 45 6.893 -14.925 1.963 302 HD3 ARG 45 HD3 ARG 45 8.541 -14.660 1.392 303 HE ARG 45 HE ARG 45 8.828 -13.187 3.366 304 HH11 ARG 45 HH12 ARG 45 6.387 -15.720 3.394 305 HH12 ARG 45 HH11 ARG 45 6.310 -15.781 5.133 306 HH21 ARG 45 HH22 ARG 45 8.690 -13.262 5.647 307 HH22 ARG 45 HH21 ARG 45 7.602 -14.398 6.399 308 H VAL 46 H VAL 46 3.819 -14.969 -1.079 309 HA VAL 46 HA VAL 46 2.915 -16.944 0.828 310 HB VAL 46 HB VAL 46 2.531 -18.154 -1.563 311 HG11 VAL 46 HG11 VAL 46 0.421 -16.232 -1.087 312 HG12 VAL 46 HG12 VAL 46 0.413 -17.984 -0.898 313 HG13 VAL 46 HG13 VAL 46 0.993 -16.959 0.415 314 HG21 VAL 46 HG21 VAL 46 1.975 -16.635 -3.271 315 HG22 VAL 46 HG22 VAL 46 2.066 -15.250 -2.182 316 HG23 VAL 46 HG23 VAL 46 3.539 -16.093 -2.664 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 13.929 11.489 -16.088 2 H2 GLY 1 H2 GLY 1 14.690 13.003 -16.130 3 H3 GLY 1 H3 GLY 1 14.220 12.250 -17.575 4 HA2 GLY 1 HA3 GLY 1 12.774 14.135 -16.646 5 HA3 GLY 1 HA2 GLY 1 12.004 12.687 -17.279 6 H SER 2 H SER 2 10.164 12.891 -16.016 7 HA SER 2 HA SER 2 10.474 12.949 -13.124 8 HB2 SER 2 HB2 SER 2 7.760 12.604 -14.159 9 HB3 SER 2 HB3 SER 2 8.407 13.844 -13.086 10 HG SER 2 HG SER 2 9.153 14.978 -14.868 11 H MET 3 H MET 3 11.255 10.996 -12.524 12 HA MET 3 HA MET 3 11.168 8.860 -11.789 13 HB2 MET 3 HB2 MET 3 8.750 9.503 -11.296 14 HB3 MET 3 HB3 MET 3 8.329 8.667 -12.785 15 HG2 MET 3 HG2 MET 3 9.972 6.942 -11.245 16 HG3 MET 3 HG3 MET 3 8.720 7.596 -10.190 17 HE1 MET 3 HE1 MET 3 5.844 7.573 -12.142 18 HE2 MET 3 HE2 MET 3 5.562 6.175 -11.104 19 HE3 MET 3 HE3 MET 3 6.443 7.570 -10.483 20 H ALA 4 H ALA 4 8.814 8.165 -14.297 21 HA ALA 4 HA ALA 4 8.843 6.836 -16.131 22 HB1 ALA 4 HB1 ALA 4 10.556 6.983 -17.658 23 HB2 ALA 4 HB2 ALA 4 10.797 8.457 -16.721 24 HB3 ALA 4 HB3 ALA 4 11.806 7.043 -16.416 25 H ALA 5 H ALA 5 12.108 5.935 -15.201 26 HA ALA 5 HA ALA 5 11.066 3.365 -14.216 27 HB1 ALA 5 HB1 ALA 5 12.562 2.180 -15.402 28 HB2 ALA 5 HB2 ALA 5 12.642 3.617 -16.422 29 HB3 ALA 5 HB3 ALA 5 13.844 3.365 -15.156 30 H HIS 6 H HIS 6 10.948 4.483 -12.173 31 HA HIS 6 HA HIS 6 13.466 4.386 -10.724 32 HB2 HIS 6 HB2 HIS 6 12.637 6.821 -11.680 33 HB3 HIS 6 HB3 HIS 6 11.932 6.799 -10.067 34 HD1 HIS 6 HD1 HIS 6 14.979 4.890 -9.944 35 HD2 HIS 6 HD2 HIS 6 14.017 8.941 -9.894 36 HE1 HIS 6 HE1 HIS 6 17.007 6.063 -9.029 37 HE2 HIS 6 HE2 HIS 6 16.351 8.492 -8.872 38 H SER 7 H SER 7 12.913 2.935 -9.237 39 HA SER 7 HA SER 7 10.247 2.852 -8.125 40 HB2 SER 7 HB2 SER 7 12.316 1.184 -6.866 41 HB3 SER 7 HB3 SER 7 10.766 0.718 -7.571 42 HG SER 7 HG SER 7 11.905 1.189 -9.671 43 H ALA 8 H ALA 8 10.119 4.842 -7.052 44 HA ALA 8 HA ALA 8 11.842 5.113 -4.676 45 HB1 ALA 8 HB1 ALA 8 11.729 7.430 -4.863 46 HB2 ALA 8 HB2 ALA 8 11.830 6.902 -6.544 47 HB3 ALA 8 HB3 ALA 8 10.275 7.377 -5.860 48 H ASP 9 H ASP 9 10.073 7.221 -3.618 49 HA ASP 9 HA ASP 9 7.942 5.485 -2.545 50 HB2 ASP 9 HB2 ASP 9 9.666 6.582 -0.997 51 HB3 ASP 9 HB3 ASP 9 8.871 8.106 -1.368 52 H LEU 10 H LEU 10 6.939 6.001 -4.694 53 HA LEU 10 HA LEU 10 5.542 8.588 -4.686 54 HB2 LEU 10 HB2 LEU 10 5.462 6.440 -6.807 55 HB3 LEU 10 HB3 LEU 10 4.892 8.093 -6.950 56 HG LEU 10 HG LEU 10 7.651 8.184 -6.263 57 HD11 LEU 10 HD11 LEU 10 8.739 6.781 -7.679 58 HD12 LEU 10 HD12 LEU 10 7.315 5.788 -7.370 59 HD13 LEU 10 HD13 LEU 10 7.416 6.750 -8.845 60 HD21 LEU 10 HD21 LEU 10 6.785 8.714 -9.036 61 HD22 LEU 10 HD22 LEU 10 5.942 9.603 -7.768 62 HD23 LEU 10 HD23 LEU 10 7.695 9.727 -7.915 63 H LYS 11 H LYS 11 5.204 5.170 -4.350 64 HA LYS 11 HA LYS 11 2.326 5.416 -3.876 65 HB2 LYS 11 HB2 LYS 11 2.200 3.032 -4.107 66 HB3 LYS 11 HB3 LYS 11 3.137 3.654 -5.449 67 HG2 LYS 11 HG2 LYS 11 5.102 2.733 -4.696 68 HG3 LYS 11 HG3 LYS 11 4.561 2.683 -3.017 69 HD2 LYS 11 HD2 LYS 11 2.780 1.005 -3.995 70 HD3 LYS 11 HD3 LYS 11 3.995 0.800 -5.256 71 HE2 LYS 11 HE2 LYS 11 4.420 -0.869 -3.633 72 HE3 LYS 11 HE3 LYS 11 5.665 0.361 -3.426 73 HZ1 LYS 11 HZ1 LYS 11 3.203 0.507 -1.811 74 HZ2 LYS 11 HZ2 LYS 11 4.761 1.074 -1.456 75 HZ3 LYS 11 HZ3 LYS 11 4.427 -0.584 -1.378 76 H CYS 12 H CYS 12 2.342 3.059 -2.187 77 HA CYS 12 HA CYS 12 2.706 4.404 0.302 78 HB2 CYS 12 HB2 CYS 12 1.737 2.253 1.194 79 HB3 CYS 12 HB3 CYS 12 0.746 3.093 0.010 80 HA PRO 13 HA PRO 13 6.483 2.623 1.724 81 HB2 PRO 13 HB2 PRO 13 5.344 1.734 4.269 82 HB3 PRO 13 HB3 PRO 13 6.458 3.058 3.951 83 HG2 PRO 13 HG2 PRO 13 3.918 3.491 4.704 84 HG3 PRO 13 HG3 PRO 13 4.777 4.579 3.598 85 HD2 PRO 13 HD2 PRO 13 2.793 2.428 2.971 86 HD3 PRO 13 HD3 PRO 13 2.914 4.073 2.309 87 H THR 14 H THR 14 3.712 0.506 2.207 88 HA THR 14 HA THR 14 4.985 -1.827 2.978 89 HB THR 14 HB THR 14 2.587 -1.862 1.171 90 HG1 THR 14 HG1 THR 14 1.381 -0.957 2.721 91 HG21 THR 14 HG21 THR 14 2.620 -3.395 3.672 92 HG22 THR 14 HG22 THR 14 3.887 -3.852 2.534 93 HG23 THR 14 HG23 THR 14 2.196 -3.906 2.039 94 HA PRO 15 HA PRO 15 7.335 -2.792 -0.695 95 HB2 PRO 15 HB2 PRO 15 7.905 -5.299 0.755 96 HB3 PRO 15 HB3 PRO 15 9.021 -4.068 0.161 97 HG2 PRO 15 HG2 PRO 15 8.542 -4.323 2.760 98 HG3 PRO 15 HG3 PRO 15 8.741 -2.724 2.018 99 HD2 PRO 15 HD2 PRO 15 6.209 -4.145 2.788 100 HD3 PRO 15 HD3 PRO 15 6.672 -2.449 3.061 101 H GLY 16 H GLY 16 5.223 -5.193 0.850 102 HA2 GLY 16 HA2 GLY 16 5.096 -6.791 -1.541 103 HA3 GLY 16 HA3 GLY 16 4.247 -7.097 -0.037 104 H CYS 17 H CYS 17 3.631 -3.976 -0.737 105 HA CYS 17 HA CYS 17 1.058 -4.635 -1.956 106 HB2 CYS 17 HB2 CYS 17 1.150 -3.362 0.189 107 HB3 CYS 17 HB3 CYS 17 1.979 -2.067 -0.656 108 H ASP 18 H ASP 18 0.221 -3.195 -3.629 109 HA ASP 18 HA ASP 18 2.384 -2.375 -5.435 110 HB2 ASP 18 HB2 ASP 18 1.080 -2.968 -7.232 111 HB3 ASP 18 HB3 ASP 18 0.456 -4.092 -6.028 112 H GLY 19 H GLY 19 -0.039 -1.132 -3.428 113 HA2 GLY 19 HA2 GLY 19 -0.125 1.160 -2.876 114 HA3 GLY 19 HA3 GLY 19 0.534 1.547 -4.455 115 H SER 20 H SER 20 -1.830 -0.627 -5.094 116 HA SER 20 HA SER 20 -3.818 1.529 -5.409 117 HB2 SER 20 HB2 SER 20 -4.009 -0.903 -7.100 118 HB3 SER 20 HB3 SER 20 -4.348 0.781 -7.501 119 HG SER 20 HG SER 20 -1.948 -0.639 -7.579 120 H GLY 21 H GLY 21 -6.056 0.936 -5.291 121 HA2 GLY 21 HA2 GLY 21 -7.875 -0.199 -4.452 122 HA3 GLY 21 HA3 GLY 21 -6.848 -1.612 -4.266 123 H HIS 22 H HIS 22 -8.499 -1.466 -2.358 124 HA HIS 22 HA HIS 22 -6.883 -0.698 -0.056 125 HB2 HIS 22 HB2 HIS 22 -9.559 0.453 -0.679 126 HB3 HIS 22 HB3 HIS 22 -9.286 -0.057 0.980 127 HD1 HIS 22 HD1 HIS 22 -8.732 1.895 2.349 128 HD2 HIS 22 HD2 HIS 22 -7.059 2.179 -1.450 129 HE1 HIS 22 HE1 HIS 22 -7.457 4.053 2.329 130 HE2 HIS 22 HE2 HIS 22 -6.683 4.324 -0.051 131 H ILE 23 H ILE 23 -7.581 -1.845 1.898 132 HA ILE 23 HA ILE 23 -8.554 -4.500 1.351 133 HB ILE 23 HB ILE 23 -7.376 -3.114 3.617 134 HG12 ILE 23 HG12 ILE 23 -6.219 -4.935 2.654 135 HG13 ILE 23 HG13 ILE 23 -6.786 -5.520 4.214 136 HG21 ILE 23 HG21 ILE 23 -9.867 -3.542 4.316 137 HG22 ILE 23 HG22 ILE 23 -9.292 -5.193 4.549 138 HG23 ILE 23 HG23 ILE 23 -8.542 -3.862 5.434 139 HD11 ILE 23 HD11 ILE 23 -7.374 -7.295 2.948 140 HD12 ILE 23 HD12 ILE 23 -8.828 -6.326 2.712 141 HD13 ILE 23 HD13 ILE 23 -7.563 -6.330 1.484 142 H THR 24 H THR 24 -9.825 -1.469 2.446 143 HA THR 24 HA THR 24 -12.413 -2.448 3.170 144 HB THR 24 HB THR 24 -11.071 -0.159 3.710 145 HG1 THR 24 HG1 THR 24 -12.743 -0.762 4.988 146 HG21 THR 24 HG21 THR 24 -12.097 1.727 2.666 147 HG22 THR 24 HG22 THR 24 -13.223 0.697 1.782 148 HG23 THR 24 HG23 THR 24 -11.504 0.667 1.384 149 H GLY 25 H GLY 25 -10.858 -1.663 0.217 150 HA2 GLY 25 HA2 GLY 25 -11.569 -2.119 -1.918 151 HA3 GLY 25 HA3 GLY 25 -13.122 -2.583 -1.252 152 H ASN 26 H ASN 26 -13.112 0.254 0.010 153 HA ASN 26 HA ASN 26 -14.789 1.319 -2.020 154 HB2 ASN 26 HB2 ASN 26 -14.070 2.047 0.763 155 HB3 ASN 26 HB3 ASN 26 -14.721 3.330 -0.251 156 HD21 ASN 26 HD21 ASN 26 -15.558 1.135 1.947 157 HD22 ASN 26 HD22 ASN 26 -17.182 0.781 1.462 158 H TYR 27 H TYR 27 -11.514 1.498 -1.845 159 HA TYR 27 HA TYR 27 -11.485 4.111 -3.181 160 HB2 TYR 27 HB2 TYR 27 -9.401 2.933 -1.340 161 HB3 TYR 27 HB3 TYR 27 -9.185 4.393 -2.280 162 HD1 TYR 27 HD1 TYR 27 -11.191 2.890 0.456 163 HD2 TYR 27 HD2 TYR 27 -9.990 6.472 -1.509 164 HE1 TYR 27 HE1 TYR 27 -12.203 4.216 2.261 165 HE2 TYR 27 HE2 TYR 27 -10.992 7.806 0.298 166 HH TYR 27 HH TYR 27 -12.862 7.467 2.009 167 H ALA 28 H ALA 28 -9.943 4.365 -4.847 168 HA ALA 28 HA ALA 28 -9.556 1.894 -6.311 169 HB1 ALA 28 HB1 ALA 28 -10.241 4.451 -7.047 170 HB2 ALA 28 HB2 ALA 28 -8.567 4.312 -7.588 171 HB3 ALA 28 HB3 ALA 28 -9.771 3.147 -8.139 172 H SER 29 H SER 29 -7.605 4.263 -4.641 173 HA SER 29 HA SER 29 -5.306 2.545 -4.756 174 HB2 SER 29 HB2 SER 29 -4.145 4.896 -5.730 175 HB3 SER 29 HB3 SER 29 -4.352 3.382 -6.610 176 HG SER 29 HG SER 29 -6.049 4.187 -7.654 177 H HIS 30 H HIS 30 -3.347 3.755 -3.756 178 HA HIS 30 HA HIS 30 -4.056 5.903 -1.959 179 HB2 HIS 30 HB2 HIS 30 -3.309 4.646 0.050 180 HB3 HIS 30 HB3 HIS 30 -4.803 4.027 -0.631 181 HD1 HIS 30 HD1 HIS 30 -4.606 1.666 -1.929 182 HD2 HIS 30 HD2 HIS 30 -1.251 2.893 0.208 183 HE1 HIS 30 HE1 HIS 30 -3.079 -0.353 -1.748 184 H ARG 31 H ARG 31 -1.890 5.930 -0.304 185 HA ARG 31 HA ARG 31 0.521 5.454 -1.840 186 HB2 ARG 31 HB2 ARG 31 1.183 7.902 -1.638 187 HB3 ARG 31 HB3 ARG 31 -0.012 7.512 -2.864 188 HG2 ARG 31 HG2 ARG 31 -1.368 9.021 -1.998 189 HG3 ARG 31 HG3 ARG 31 -1.426 8.095 -0.500 190 HD2 ARG 31 HD2 ARG 31 -0.386 10.654 -0.874 191 HD3 ARG 31 HD3 ARG 31 -0.262 9.654 0.570 192 HE ARG 31 HE ARG 31 1.837 8.754 -0.597 193 HH11 ARG 31 HH12 ARG 31 0.643 12.032 -0.905 194 HH12 ARG 31 HH11 ARG 31 2.219 12.717 -1.174 195 HH21 ARG 31 HH22 ARG 31 3.914 9.639 -0.934 196 HH22 ARG 31 HH21 ARG 31 4.089 11.358 -1.151 197 H SER 32 H SER 32 -0.885 5.133 0.950 198 HA SER 32 HA SER 32 1.596 5.428 2.435 199 HB2 SER 32 HB2 SER 32 -0.575 6.340 4.104 200 HB3 SER 32 HB3 SER 32 0.974 7.107 3.775 201 HG SER 32 HG SER 32 -1.296 7.218 2.060 202 H LEU 33 H LEU 33 1.493 4.328 4.579 203 HA LEU 33 HA LEU 33 0.210 1.804 4.297 204 HB2 LEU 33 HB2 LEU 33 2.254 3.000 5.939 205 HB3 LEU 33 HB3 LEU 33 1.153 2.059 6.928 206 HG LEU 33 HG LEU 33 2.386 0.917 4.447 207 HD11 LEU 33 HD11 LEU 33 3.534 0.662 7.216 208 HD12 LEU 33 HD12 LEU 33 4.212 0.064 5.701 209 HD13 LEU 33 HD13 LEU 33 4.142 1.799 6.011 210 HD21 LEU 33 HD21 LEU 33 1.578 -0.520 6.951 211 HD22 LEU 33 HD22 LEU 33 0.388 -0.103 5.717 212 HD23 LEU 33 HD23 LEU 33 1.747 -1.153 5.313 213 H SER 34 H SER 34 -1.976 2.782 4.187 214 HA SER 34 HA SER 34 -3.157 2.795 6.872 215 HB2 SER 34 HB2 SER 34 -4.781 4.472 5.314 216 HB3 SER 34 HB3 SER 34 -3.724 4.955 6.642 217 HG SER 34 HG SER 34 -2.306 5.717 5.264 218 H GLY 35 H GLY 35 -3.962 2.778 3.402 219 HA2 GLY 35 HA2 GLY 35 -5.982 0.718 3.997 220 HA3 GLY 35 HA3 GLY 35 -6.131 1.899 2.704 221 H CYS 36 H CYS 36 -3.290 -0.007 3.577 222 HA CYS 36 HA CYS 36 -2.859 -0.889 0.900 223 HB2 CYS 36 HB2 CYS 36 -1.665 -1.585 3.579 224 HB3 CYS 36 HB3 CYS 36 -1.236 -2.496 2.134 225 HA PRO 37 HA PRO 37 -5.698 -4.384 1.356 226 HB2 PRO 37 HB2 PRO 37 -5.696 -5.144 -1.216 227 HB3 PRO 37 HB3 PRO 37 -6.575 -3.700 -0.689 228 HG2 PRO 37 HG2 PRO 37 -3.898 -3.913 -2.019 229 HG3 PRO 37 HG3 PRO 37 -5.222 -2.771 -2.336 230 HD2 PRO 37 HD2 PRO 37 -3.018 -2.169 -0.800 231 HD3 PRO 37 HD3 PRO 37 -4.600 -1.386 -0.620 232 H ARG 38 H ARG 38 -2.470 -4.098 0.408 233 HA ARG 38 HA ARG 38 -1.991 -6.981 0.757 234 HB2 ARG 38 HB2 ARG 38 -0.046 -5.078 -0.529 235 HB3 ARG 38 HB3 ARG 38 -0.072 -6.833 -0.606 236 HG2 ARG 38 HG2 ARG 38 -2.446 -6.285 -1.742 237 HG3 ARG 38 HG3 ARG 38 -1.542 -4.839 -2.196 238 HD2 ARG 38 HD2 ARG 38 -0.095 -5.986 -3.518 239 HD3 ARG 38 HD3 ARG 38 -0.205 -7.457 -2.552 240 HE ARG 38 HE ARG 38 -2.623 -7.422 -3.609 241 HH11 ARG 38 HH12 ARG 38 0.438 -6.694 -5.167 242 HH12 ARG 38 HH11 ARG 38 -0.082 -7.277 -6.727 243 HH21 ARG 38 HH22 ARG 38 -3.280 -8.226 -5.638 244 HH22 ARG 38 HH21 ARG 38 -2.187 -8.144 -6.988 245 H ALA 39 H ALA 39 -2.392 -4.949 2.788 246 HA ALA 39 HA ALA 39 -0.106 -3.871 3.879 247 HB1 ALA 39 HB1 ALA 39 -1.304 -3.561 5.861 248 HB2 ALA 39 HB2 ALA 39 -2.547 -3.592 4.610 249 HB3 ALA 39 HB3 ALA 39 -2.268 -5.017 5.613 250 H LYS 40 H LYS 40 1.629 -4.641 4.827 251 HA LYS 40 HA LYS 40 2.377 -7.275 4.775 252 HB2 LYS 40 HB2 LYS 40 3.959 -6.401 6.775 253 HB3 LYS 40 HB3 LYS 40 4.243 -6.037 5.080 254 HG2 LYS 40 HG2 LYS 40 3.907 -3.859 5.390 255 HG3 LYS 40 HG3 LYS 40 2.443 -4.134 6.336 256 HD2 LYS 40 HD2 LYS 40 3.842 -4.646 8.295 257 HD3 LYS 40 HD3 LYS 40 5.279 -4.282 7.336 258 HE2 LYS 40 HE2 LYS 40 5.062 -2.179 8.026 259 HE3 LYS 40 HE3 LYS 40 3.657 -2.074 6.966 260 HZ1 LYS 40 HZ1 LYS 40 2.405 -3.041 8.970 261 HZ2 LYS 40 HZ2 LYS 40 2.843 -1.402 9.002 262 HZ3 LYS 40 HZ3 LYS 40 3.754 -2.534 9.872 263 H LYS 41 H LYS 41 1.597 -8.963 5.773 264 HA LYS 41 HA LYS 41 0.634 -8.669 8.547 265 HB2 LYS 41 HB2 LYS 41 -0.580 -9.891 6.171 266 HB3 LYS 41 HB3 LYS 41 -0.577 -10.948 7.574 267 HG2 LYS 41 HG2 LYS 41 -2.423 -9.921 8.235 268 HG3 LYS 41 HG3 LYS 41 -1.437 -8.494 8.553 269 HD2 LYS 41 HD2 LYS 41 -3.441 -8.089 7.102 270 HD3 LYS 41 HD3 LYS 41 -1.901 -7.594 6.397 271 HE2 LYS 41 HE2 LYS 41 -2.116 -9.018 4.689 272 HE3 LYS 41 HE3 LYS 41 -2.581 -10.345 5.752 273 HZ1 LYS 41 HZ1 LYS 41 -4.525 -8.216 5.164 274 HZ2 LYS 41 HZ2 LYS 41 -4.793 -9.844 5.560 275 HZ3 LYS 41 HZ3 LYS 41 -4.248 -9.431 4.011 276 H SER 42 H SER 42 1.373 -11.384 6.395 277 HA SER 42 HA SER 42 2.855 -12.679 8.536 278 HB2 SER 42 HB2 SER 42 2.814 -14.139 6.045 279 HB3 SER 42 HB3 SER 42 2.077 -14.561 7.592 280 HG SER 42 HG SER 42 0.204 -13.746 6.958 281 H GLY 43 H GLY 43 3.406 -10.848 5.690 282 HA2 GLY 43 HA2 GLY 43 6.291 -11.312 6.002 283 HA3 GLY 43 HA3 GLY 43 5.570 -11.492 4.410 284 H LEU 44 H LEU 44 6.615 -9.278 6.863 285 HA LEU 44 HA LEU 44 5.731 -6.932 5.391 286 HB2 LEU 44 HB2 LEU 44 7.799 -6.301 7.264 287 HB3 LEU 44 HB3 LEU 44 6.104 -5.852 7.301 288 HG LEU 44 HG LEU 44 6.601 -8.597 8.196 289 HD11 LEU 44 HD11 LEU 44 8.482 -6.725 9.025 290 HD12 LEU 44 HD12 LEU 44 7.327 -6.826 10.354 291 HD13 LEU 44 HD13 LEU 44 8.132 -8.284 9.775 292 HD21 LEU 44 HD21 LEU 44 5.388 -6.667 10.016 293 HD22 LEU 44 HD22 LEU 44 4.619 -6.719 8.430 294 HD23 LEU 44 HD23 LEU 44 4.757 -8.191 9.392 295 H ARG 45 H ARG 45 8.792 -8.464 6.226 296 HA ARG 45 HA ARG 45 9.875 -7.537 3.663 297 HB2 ARG 45 HB2 ARG 45 11.040 -6.269 5.374 298 HB3 ARG 45 HB3 ARG 45 11.343 -7.729 6.306 299 HG2 ARG 45 HG2 ARG 45 12.425 -8.115 3.714 300 HG3 ARG 45 HG3 ARG 45 12.948 -6.533 4.297 301 HD2 ARG 45 HD2 ARG 45 14.595 -7.962 5.099 302 HD3 ARG 45 HD3 ARG 45 13.520 -7.774 6.484 303 HE ARG 45 HE ARG 45 13.266 -10.093 4.682 304 HH11 ARG 45 HH12 ARG 45 13.914 -8.778 7.872 305 HH12 ARG 45 HH11 ARG 45 13.689 -10.306 8.680 306 HH21 ARG 45 HH22 ARG 45 12.979 -12.091 5.735 307 HH22 ARG 45 HH21 ARG 45 13.168 -12.198 7.465 308 H VAL 46 H VAL 46 10.604 -9.165 2.413 309 HA VAL 46 HA VAL 46 10.064 -11.837 3.137 310 HB VAL 46 HB VAL 46 11.805 -10.847 0.864 311 HG11 VAL 46 HG11 VAL 46 12.217 -13.162 1.164 312 HG12 VAL 46 HG12 VAL 46 10.505 -13.504 1.418 313 HG13 VAL 46 HG13 VAL 46 11.081 -13.027 -0.178 314 HG21 VAL 46 HG21 VAL 46 9.756 -9.843 0.457 315 HG22 VAL 46 HG22 VAL 46 9.607 -11.369 -0.415 316 HG23 VAL 46 HG23 VAL 46 8.847 -11.179 1.165 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 5.158 11.602 -16.749 2 H2 GLY 1 H2 GLY 1 4.042 11.573 -18.024 3 H3 GLY 1 H3 GLY 1 3.754 12.549 -16.673 4 HA2 GLY 1 HA3 GLY 1 6.239 12.998 -18.138 5 HA3 GLY 1 HA2 GLY 1 4.746 13.501 -18.917 6 H SER 2 H SER 2 4.971 15.682 -18.762 7 HA SER 2 HA SER 2 5.836 17.008 -16.396 8 HB2 SER 2 HB2 SER 2 4.236 18.592 -18.275 9 HB3 SER 2 HB3 SER 2 5.898 18.826 -17.732 10 HG SER 2 HG SER 2 6.402 18.156 -19.656 11 H MET 3 H MET 3 4.575 16.501 -14.663 12 HA MET 3 HA MET 3 1.706 17.138 -14.867 13 HB2 MET 3 HB2 MET 3 2.141 14.794 -14.315 14 HB3 MET 3 HB3 MET 3 3.121 15.285 -12.940 15 HG2 MET 3 HG2 MET 3 1.074 14.689 -12.016 16 HG3 MET 3 HG3 MET 3 1.027 16.450 -12.079 17 HE1 MET 3 HE1 MET 3 -1.977 14.110 -12.342 18 HE2 MET 3 HE2 MET 3 -1.553 13.349 -13.876 19 HE3 MET 3 HE3 MET 3 -0.399 13.346 -12.542 20 H ALA 4 H ALA 4 1.075 18.907 -13.891 21 HA ALA 4 HA ALA 4 2.811 20.319 -12.070 22 HB1 ALA 4 HB1 ALA 4 1.406 21.427 -13.829 23 HB2 ALA 4 HB2 ALA 4 -0.007 21.037 -12.848 24 HB3 ALA 4 HB3 ALA 4 1.243 22.103 -12.208 25 H ALA 5 H ALA 5 2.421 18.070 -10.818 26 HA ALA 5 HA ALA 5 0.893 18.799 -8.491 27 HB1 ALA 5 HB1 ALA 5 -0.905 17.532 -8.798 28 HB2 ALA 5 HB2 ALA 5 -0.339 17.170 -10.430 29 HB3 ALA 5 HB3 ALA 5 0.104 16.115 -9.088 30 H HIS 6 H HIS 6 1.553 17.723 -6.663 31 HA HIS 6 HA HIS 6 4.153 16.506 -6.809 32 HB2 HIS 6 HB2 HIS 6 2.579 17.818 -4.836 33 HB3 HIS 6 HB3 HIS 6 2.991 16.225 -4.216 34 HD1 HIS 6 HD1 HIS 6 5.694 17.234 -6.355 35 HD2 HIS 6 HD2 HIS 6 4.510 18.124 -2.463 36 HE1 HIS 6 HE1 HIS 6 7.733 18.167 -5.215 37 HE2 HIS 6 HE2 HIS 6 6.957 18.832 -2.912 38 H SER 7 H SER 7 4.058 14.535 -7.762 39 HA SER 7 HA SER 7 1.991 12.664 -7.328 40 HB2 SER 7 HB2 SER 7 4.591 11.622 -8.260 41 HB3 SER 7 HB3 SER 7 2.993 11.500 -8.997 42 HG SER 7 HG SER 7 3.309 13.317 -10.064 43 H ALA 8 H ALA 8 1.766 12.268 -5.138 44 HA ALA 8 HA ALA 8 4.021 10.934 -3.792 45 HB1 ALA 8 HB1 ALA 8 3.427 12.375 -2.173 46 HB2 ALA 8 HB2 ALA 8 1.833 12.653 -2.874 47 HB3 ALA 8 HB3 ALA 8 2.115 11.236 -1.862 48 H ASP 9 H ASP 9 0.844 10.525 -5.060 49 HA ASP 9 HA ASP 9 0.384 7.940 -3.830 50 HB2 ASP 9 HB2 ASP 9 -1.372 9.747 -4.577 51 HB3 ASP 9 HB3 ASP 9 -1.192 8.997 -6.158 52 H LEU 10 H LEU 10 2.782 7.973 -5.155 53 HA LEU 10 HA LEU 10 2.418 6.723 -7.747 54 HB2 LEU 10 HB2 LEU 10 4.812 6.626 -7.885 55 HB3 LEU 10 HB3 LEU 10 4.351 8.221 -7.326 56 HG LEU 10 HG LEU 10 4.818 6.589 -5.039 57 HD11 LEU 10 HD11 LEU 10 6.953 6.449 -7.151 58 HD12 LEU 10 HD12 LEU 10 7.255 6.168 -5.436 59 HD13 LEU 10 HD13 LEU 10 6.156 5.111 -6.323 60 HD21 LEU 10 HD21 LEU 10 5.905 9.060 -6.271 61 HD22 LEU 10 HD22 LEU 10 5.179 8.808 -4.683 62 HD23 LEU 10 HD23 LEU 10 6.838 8.293 -4.986 63 H LYS 11 H LYS 11 3.195 5.880 -4.446 64 HA LYS 11 HA LYS 11 1.985 3.447 -4.472 65 HB2 LYS 11 HB2 LYS 11 3.606 1.779 -4.711 66 HB3 LYS 11 HB3 LYS 11 3.965 2.891 -6.019 67 HG2 LYS 11 HG2 LYS 11 6.066 2.654 -5.286 68 HG3 LYS 11 HG3 LYS 11 5.581 3.880 -4.113 69 HD2 LYS 11 HD2 LYS 11 6.752 1.764 -3.246 70 HD3 LYS 11 HD3 LYS 11 5.297 2.322 -2.417 71 HE2 LYS 11 HE2 LYS 11 4.523 0.557 -4.516 72 HE3 LYS 11 HE3 LYS 11 5.797 -0.217 -3.574 73 HZ1 LYS 11 HZ1 LYS 11 3.094 0.120 -2.898 74 HZ2 LYS 11 HZ2 LYS 11 4.025 0.981 -1.781 75 HZ3 LYS 11 HZ3 LYS 11 4.304 -0.670 -2.020 76 H CYS 12 H CYS 12 2.227 2.344 -2.457 77 HA CYS 12 HA CYS 12 2.520 4.245 -0.359 78 HB2 CYS 12 HB2 CYS 12 1.557 2.302 0.962 79 HB3 CYS 12 HB3 CYS 12 0.598 2.867 -0.401 80 HA PRO 13 HA PRO 13 6.165 3.029 1.890 81 HB2 PRO 13 HB2 PRO 13 4.492 2.088 4.160 82 HB3 PRO 13 HB3 PRO 13 5.782 3.289 4.140 83 HG2 PRO 13 HG2 PRO 13 3.254 4.047 4.334 84 HG3 PRO 13 HG3 PRO 13 4.393 4.956 3.322 85 HD2 PRO 13 HD2 PRO 13 2.293 2.989 2.506 86 HD3 PRO 13 HD3 PRO 13 2.747 4.529 1.748 87 H THR 14 H THR 14 3.570 0.659 1.836 88 HA THR 14 HA THR 14 5.161 -1.522 2.760 89 HB THR 14 HB THR 14 2.566 -1.687 1.227 90 HG1 THR 14 HG1 THR 14 1.594 -0.967 2.967 91 HG21 THR 14 HG21 THR 14 3.360 -3.547 3.416 92 HG22 THR 14 HG22 THR 14 4.121 -3.742 1.836 93 HG23 THR 14 HG23 THR 14 2.367 -3.842 1.990 94 HA PRO 15 HA PRO 15 7.271 -2.162 -1.103 95 HB2 PRO 15 HB2 PRO 15 8.257 -4.612 0.223 96 HB3 PRO 15 HB3 PRO 15 9.164 -3.244 -0.428 97 HG2 PRO 15 HG2 PRO 15 8.948 -3.590 2.192 98 HG3 PRO 15 HG3 PRO 15 8.870 -1.967 1.480 99 HD2 PRO 15 HD2 PRO 15 6.620 -3.727 2.414 100 HD3 PRO 15 HD3 PRO 15 6.883 -1.992 2.704 101 H GLY 16 H GLY 16 5.533 -4.800 0.511 102 HA2 GLY 16 HA2 GLY 16 5.449 -6.438 -1.845 103 HA3 GLY 16 HA3 GLY 16 4.601 -6.737 -0.336 104 H CYS 17 H CYS 17 3.219 -4.323 -0.162 105 HA CYS 17 HA CYS 17 1.016 -4.765 -1.931 106 HB2 CYS 17 HB2 CYS 17 0.687 -4.000 0.373 107 HB3 CYS 17 HB3 CYS 17 1.630 -2.557 0.047 108 H ASP 18 H ASP 18 0.484 -3.581 -3.750 109 HA ASP 18 HA ASP 18 2.702 -2.223 -4.971 110 HB2 ASP 18 HB2 ASP 18 1.677 -2.596 -6.987 111 HB3 ASP 18 HB3 ASP 18 0.908 -3.858 -6.036 112 H GLY 19 H GLY 19 -0.441 -1.323 -3.703 113 HA2 GLY 19 HA2 GLY 19 -0.484 0.952 -2.730 114 HA3 GLY 19 HA3 GLY 19 0.261 1.502 -4.225 115 H SER 20 H SER 20 -1.696 -0.672 -5.445 116 HA SER 20 HA SER 20 -3.879 1.248 -5.806 117 HB2 SER 20 HB2 SER 20 -3.531 -1.345 -7.307 118 HB3 SER 20 HB3 SER 20 -4.438 0.087 -7.794 119 HG SER 20 HG SER 20 -1.630 -0.299 -7.704 120 H GLY 21 H GLY 21 -5.928 0.873 -5.157 121 HA2 GLY 21 HA2 GLY 21 -7.755 -0.472 -4.484 122 HA3 GLY 21 HA3 GLY 21 -6.633 -1.783 -4.144 123 H HIS 22 H HIS 22 -8.194 -1.686 -2.214 124 HA HIS 22 HA HIS 22 -6.747 -0.506 0.003 125 HB2 HIS 22 HB2 HIS 22 -9.407 0.498 -0.878 126 HB3 HIS 22 HB3 HIS 22 -9.222 0.196 0.842 127 HD1 HIS 22 HD1 HIS 22 -8.368 2.072 2.154 128 HD2 HIS 22 HD2 HIS 22 -7.314 2.413 -1.853 129 HE1 HIS 22 HE1 HIS 22 -7.311 4.332 1.927 130 HE2 HIS 22 HE2 HIS 22 -6.842 4.596 -0.532 131 H ILE 23 H ILE 23 -7.686 -1.291 2.099 132 HA ILE 23 HA ILE 23 -8.513 -4.048 1.907 133 HB ILE 23 HB ILE 23 -7.576 -2.261 4.026 134 HG12 ILE 23 HG12 ILE 23 -6.229 -4.099 3.332 135 HG13 ILE 23 HG13 ILE 23 -6.798 -4.479 4.954 136 HG21 ILE 23 HG21 ILE 23 -9.920 -4.042 4.582 137 HG22 ILE 23 HG22 ILE 23 -8.718 -3.698 5.828 138 HG23 ILE 23 HG23 ILE 23 -9.633 -2.380 5.094 139 HD11 ILE 23 HD11 ILE 23 -7.450 -6.439 4.144 140 HD12 ILE 23 HD12 ILE 23 -8.712 -5.574 3.265 141 HD13 ILE 23 HD13 ILE 23 -7.169 -5.917 2.483 142 H THR 24 H THR 24 -9.955 -0.924 2.517 143 HA THR 24 HA THR 24 -12.550 -1.971 3.149 144 HB THR 24 HB THR 24 -11.501 0.354 3.767 145 HG1 THR 24 HG1 THR 24 -13.836 -0.629 3.936 146 HG21 THR 24 HG21 THR 24 -11.388 0.865 1.206 147 HG22 THR 24 HG22 THR 24 -11.839 2.134 2.346 148 HG23 THR 24 HG23 THR 24 -13.085 1.296 1.419 149 H GLY 25 H GLY 25 -10.794 -1.419 0.289 150 HA2 GLY 25 HA2 GLY 25 -11.283 -1.786 -1.911 151 HA3 GLY 25 HA3 GLY 25 -12.695 -2.648 -1.331 152 H ASN 26 H ASN 26 -12.494 0.661 -0.443 153 HA ASN 26 HA ASN 26 -14.677 1.265 -2.302 154 HB2 ASN 26 HB2 ASN 26 -13.967 2.113 0.455 155 HB3 ASN 26 HB3 ASN 26 -14.789 3.296 -0.556 156 HD21 ASN 26 HD21 ASN 26 -14.992 -0.070 0.515 157 HD22 ASN 26 HD22 ASN 26 -16.715 -0.125 0.575 158 H TYR 27 H TYR 27 -11.528 1.622 -2.513 159 HA TYR 27 HA TYR 27 -11.699 4.356 -3.581 160 HB2 TYR 27 HB2 TYR 27 -9.477 3.122 -1.948 161 HB3 TYR 27 HB3 TYR 27 -9.322 4.630 -2.827 162 HD1 TYR 27 HD1 TYR 27 -11.201 2.970 -0.104 163 HD2 TYR 27 HD2 TYR 27 -10.070 6.664 -1.883 164 HE1 TYR 27 HE1 TYR 27 -12.117 4.168 1.826 165 HE2 TYR 27 HE2 TYR 27 -10.982 7.877 0.056 166 HH TYR 27 HH TYR 27 -13.097 6.751 2.088 167 H ALA 28 H ALA 28 -9.430 4.722 -4.809 168 HA ALA 28 HA ALA 28 -9.317 2.581 -6.813 169 HB1 ALA 28 HB1 ALA 28 -9.662 4.433 -8.069 170 HB2 ALA 28 HB2 ALA 28 -8.933 5.511 -6.880 171 HB3 ALA 28 HB3 ALA 28 -7.907 4.552 -7.949 172 H SER 29 H SER 29 -7.251 4.656 -4.809 173 HA SER 29 HA SER 29 -5.295 2.556 -4.579 174 HB2 SER 29 HB2 SER 29 -3.427 4.014 -5.457 175 HB3 SER 29 HB3 SER 29 -4.543 3.422 -6.690 176 HG SER 29 HG SER 29 -3.947 5.965 -5.987 177 H HIS 30 H HIS 30 -3.277 3.548 -3.396 178 HA HIS 30 HA HIS 30 -3.956 5.741 -1.615 179 HB2 HIS 30 HB2 HIS 30 -3.434 4.403 0.398 180 HB3 HIS 30 HB3 HIS 30 -4.867 3.809 -0.429 181 HD1 HIS 30 HD1 HIS 30 -4.643 1.469 -1.652 182 HD2 HIS 30 HD2 HIS 30 -1.297 2.672 0.511 183 HE1 HIS 30 HE1 HIS 30 -3.122 -0.549 -1.489 184 H ARG 31 H ARG 31 -1.992 6.147 -0.108 185 HA ARG 31 HA ARG 31 0.517 5.331 -1.393 186 HB2 ARG 31 HB2 ARG 31 1.348 7.706 -1.146 187 HB3 ARG 31 HB3 ARG 31 0.159 7.444 -2.413 188 HG2 ARG 31 HG2 ARG 31 -1.025 9.100 -1.562 189 HG3 ARG 31 HG3 ARG 31 -1.310 8.108 -0.131 190 HD2 ARG 31 HD2 ARG 31 1.277 9.171 0.149 191 HD3 ARG 31 HD3 ARG 31 0.254 10.497 -0.409 192 HE ARG 31 HE ARG 31 -0.221 8.894 2.028 193 HH11 ARG 31 HH12 ARG 31 -0.619 11.847 0.175 194 HH12 ARG 31 HH11 ARG 31 -1.417 12.695 1.460 195 HH21 ARG 31 HH22 ARG 31 -1.260 10.007 3.715 196 HH22 ARG 31 HH21 ARG 31 -1.774 11.650 3.484 197 H SER 32 H SER 32 -1.198 5.252 1.277 198 HA SER 32 HA SER 32 1.169 5.440 2.999 199 HB2 SER 32 HB2 SER 32 -1.334 6.037 4.389 200 HB3 SER 32 HB3 SER 32 0.205 6.895 4.427 201 HG SER 32 HG SER 32 -1.762 7.095 2.380 202 H LEU 33 H LEU 33 0.852 4.180 5.060 203 HA LEU 33 HA LEU 33 -0.000 1.549 4.382 204 HB2 LEU 33 HB2 LEU 33 1.516 2.875 6.470 205 HB3 LEU 33 HB3 LEU 33 0.501 1.598 7.115 206 HG LEU 33 HG LEU 33 2.191 0.995 4.744 207 HD11 LEU 33 HD11 LEU 33 3.890 0.266 6.651 208 HD12 LEU 33 HD12 LEU 33 3.964 1.852 5.881 209 HD13 LEU 33 HD13 LEU 33 3.185 1.670 7.453 210 HD21 LEU 33 HD21 LEU 33 0.504 -0.562 5.865 211 HD22 LEU 33 HD22 LEU 33 2.124 -1.197 5.574 212 HD23 LEU 33 HD23 LEU 33 1.662 -0.662 7.190 213 H SER 34 H SER 34 -2.025 3.873 4.923 214 HA SER 34 HA SER 34 -3.591 2.706 7.068 215 HB2 SER 34 HB2 SER 34 -4.987 4.818 5.776 216 HB3 SER 34 HB3 SER 34 -4.217 4.832 7.361 217 HG SER 34 HG SER 34 -3.516 6.255 5.317 218 H GLY 35 H GLY 35 -3.330 2.267 3.745 219 HA2 GLY 35 HA2 GLY 35 -6.034 1.102 3.677 220 HA3 GLY 35 HA3 GLY 35 -5.527 2.204 2.408 221 H CYS 36 H CYS 36 -3.147 0.095 3.722 222 HA CYS 36 HA CYS 36 -2.651 -1.120 1.200 223 HB2 CYS 36 HB2 CYS 36 -1.561 -1.490 3.974 224 HB3 CYS 36 HB3 CYS 36 -1.107 -2.600 2.681 225 HA PRO 37 HA PRO 37 -5.635 -4.423 1.848 226 HB2 PRO 37 HB2 PRO 37 -5.784 -5.210 -0.712 227 HB3 PRO 37 HB3 PRO 37 -6.554 -3.721 -0.153 228 HG2 PRO 37 HG2 PRO 37 -3.976 -4.087 -1.620 229 HG3 PRO 37 HG3 PRO 37 -5.234 -2.860 -1.853 230 HD2 PRO 37 HD2 PRO 37 -2.910 -2.433 -0.449 231 HD3 PRO 37 HD3 PRO 37 -4.413 -1.529 -0.190 232 H ARG 38 H ARG 38 -2.404 -4.565 0.602 233 HA ARG 38 HA ARG 38 -2.328 -7.440 1.236 234 HB2 ARG 38 HB2 ARG 38 -0.936 -6.030 -1.047 235 HB3 ARG 38 HB3 ARG 38 -0.511 -7.645 -0.499 236 HG2 ARG 38 HG2 ARG 38 -2.245 -8.573 -1.549 237 HG3 ARG 38 HG3 ARG 38 -3.354 -7.289 -1.053 238 HD2 ARG 38 HD2 ARG 38 -1.465 -6.206 -2.878 239 HD3 ARG 38 HD3 ARG 38 -2.126 -7.679 -3.570 240 HE ARG 38 HE ARG 38 -4.367 -6.507 -2.827 241 HH11 ARG 38 HH12 ARG 38 -1.547 -5.142 -4.387 242 HH12 ARG 38 HH11 ARG 38 -2.414 -3.832 -5.129 243 HH21 ARG 38 HH22 ARG 38 -5.544 -4.818 -3.854 244 HH22 ARG 38 HH21 ARG 38 -4.697 -3.663 -4.842 245 H ALA 39 H ALA 39 -1.864 -5.583 3.135 246 HA ALA 39 HA ALA 39 0.748 -4.606 3.361 247 HB1 ALA 39 HB1 ALA 39 -1.107 -5.351 5.616 248 HB2 ALA 39 HB2 ALA 39 0.246 -4.223 5.683 249 HB3 ALA 39 HB3 ALA 39 -1.174 -3.837 4.714 250 H LYS 40 H LYS 40 2.526 -5.766 3.348 251 HA LYS 40 HA LYS 40 4.024 -7.441 3.601 252 HB2 LYS 40 HB2 LYS 40 3.296 -8.305 6.264 253 HB3 LYS 40 HB3 LYS 40 4.733 -7.466 5.711 254 HG2 LYS 40 HG2 LYS 40 2.225 -5.912 6.088 255 HG3 LYS 40 HG3 LYS 40 3.152 -6.409 7.505 256 HD2 LYS 40 HD2 LYS 40 4.899 -5.036 7.012 257 HD3 LYS 40 HD3 LYS 40 4.643 -5.154 5.269 258 HE2 LYS 40 HE2 LYS 40 2.689 -3.701 5.451 259 HE3 LYS 40 HE3 LYS 40 2.922 -3.596 7.195 260 HZ1 LYS 40 HZ1 LYS 40 4.550 -2.099 6.972 261 HZ2 LYS 40 HZ2 LYS 40 3.912 -1.847 5.423 262 HZ3 LYS 40 HZ3 LYS 40 5.244 -2.875 5.632 263 H LYS 41 H LYS 41 3.194 -9.610 5.769 264 HA LYS 41 HA LYS 41 1.517 -11.197 3.951 265 HB2 LYS 41 HB2 LYS 41 4.193 -11.778 4.968 266 HB3 LYS 41 HB3 LYS 41 3.041 -13.059 5.322 267 HG2 LYS 41 HG2 LYS 41 3.664 -13.786 3.283 268 HG3 LYS 41 HG3 LYS 41 2.443 -12.630 2.746 269 HD2 LYS 41 HD2 LYS 41 4.006 -11.100 2.043 270 HD3 LYS 41 HD3 LYS 41 5.242 -11.690 3.156 271 HE2 LYS 41 HE2 LYS 41 6.091 -13.010 1.581 272 HE3 LYS 41 HE3 LYS 41 4.521 -13.774 1.326 273 HZ1 LYS 41 HZ1 LYS 41 3.940 -12.081 -0.241 274 HZ2 LYS 41 HZ2 LYS 41 5.448 -12.717 -0.683 275 HZ3 LYS 41 HZ3 LYS 41 5.353 -11.205 0.088 276 H SER 42 H SER 42 1.968 -13.358 6.179 277 HA SER 42 HA SER 42 -0.354 -12.592 7.717 278 HB2 SER 42 HB2 SER 42 1.385 -14.996 8.255 279 HB3 SER 42 HB3 SER 42 -0.336 -14.788 8.585 280 HG SER 42 HG SER 42 -0.103 -14.427 6.016 281 H GLY 43 H GLY 43 1.041 -10.637 8.369 282 HA2 GLY 43 HA2 GLY 43 1.456 -10.477 11.044 283 HA3 GLY 43 HA3 GLY 43 2.988 -11.097 10.438 284 H LEU 44 H LEU 44 0.836 -8.371 10.550 285 HA LEU 44 HA LEU 44 2.501 -6.785 8.779 286 HB2 LEU 44 HB2 LEU 44 0.670 -5.077 10.008 287 HB3 LEU 44 HB3 LEU 44 0.553 -5.782 8.408 288 HG LEU 44 HG LEU 44 -0.405 -7.468 10.645 289 HD11 LEU 44 HD11 LEU 44 -1.477 -4.783 10.044 290 HD12 LEU 44 HD12 LEU 44 -2.655 -6.086 10.201 291 HD13 LEU 44 HD13 LEU 44 -1.551 -5.728 11.531 292 HD21 LEU 44 HD21 LEU 44 -1.911 -8.262 9.053 293 HD22 LEU 44 HD22 LEU 44 -1.798 -6.798 8.078 294 HD23 LEU 44 HD23 LEU 44 -0.454 -7.938 8.114 295 H ARG 45 H ARG 45 2.601 -7.619 11.983 296 HA ARG 45 HA ARG 45 4.175 -5.213 12.620 297 HB2 ARG 45 HB2 ARG 45 1.900 -6.230 13.977 298 HB3 ARG 45 HB3 ARG 45 3.294 -6.528 15.008 299 HG2 ARG 45 HG2 ARG 45 2.950 -3.831 13.785 300 HG3 ARG 45 HG3 ARG 45 1.953 -4.286 15.171 301 HD2 ARG 45 HD2 ARG 45 3.644 -3.809 16.527 302 HD3 ARG 45 HD3 ARG 45 4.611 -5.062 15.750 303 HE ARG 45 HE ARG 45 4.574 -2.209 14.997 304 HH11 ARG 45 HH12 ARG 45 6.122 -5.352 15.013 305 HH12 ARG 45 HH11 ARG 45 7.592 -4.775 14.287 306 HH21 ARG 45 HH22 ARG 45 6.522 -1.439 14.079 307 HH22 ARG 45 HH21 ARG 45 7.824 -2.552 13.765 308 H VAL 46 H VAL 46 4.954 -7.770 11.417 309 HA VAL 46 HA VAL 46 6.440 -9.135 13.501 310 HB VAL 46 HB VAL 46 5.286 -10.284 11.513 311 HG11 VAL 46 HG11 VAL 46 7.604 -8.993 10.154 312 HG12 VAL 46 HG12 VAL 46 7.040 -10.570 9.603 313 HG13 VAL 46 HG13 VAL 46 5.941 -9.190 9.600 314 HG21 VAL 46 HG21 VAL 46 7.565 -10.928 13.027 315 HG22 VAL 46 HG22 VAL 46 6.456 -12.034 12.219 316 HG23 VAL 46 HG23 VAL 46 7.894 -11.459 11.378 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 16.723 18.438 -9.481 2 H2 GLY 1 H2 GLY 1 16.167 20.039 -9.513 3 H3 GLY 1 H3 GLY 1 15.148 18.783 -10.009 4 HA2 GLY 1 HA3 GLY 1 16.150 19.259 -7.261 5 HA3 GLY 1 HA2 GLY 1 14.505 19.510 -7.828 6 H SER 2 H SER 2 14.444 17.993 -5.787 7 HA SER 2 HA SER 2 14.878 15.199 -6.445 8 HB2 SER 2 HB2 SER 2 13.359 15.902 -4.004 9 HB3 SER 2 HB3 SER 2 14.724 14.804 -4.207 10 HG SER 2 HG SER 2 15.954 16.882 -4.545 11 H MET 3 H MET 3 13.439 14.912 -8.171 12 HA MET 3 HA MET 3 10.650 15.516 -7.902 13 HB2 MET 3 HB2 MET 3 11.758 15.505 -10.100 14 HB3 MET 3 HB3 MET 3 12.096 13.790 -9.920 15 HG2 MET 3 HG2 MET 3 10.241 13.715 -11.238 16 HG3 MET 3 HG3 MET 3 9.506 13.614 -9.637 17 HE1 MET 3 HE1 MET 3 7.584 14.201 -11.745 18 HE2 MET 3 HE2 MET 3 7.329 15.859 -12.285 19 HE3 MET 3 HE3 MET 3 8.700 14.934 -12.893 20 H ALA 4 H ALA 4 9.061 14.253 -7.178 21 HA ALA 4 HA ALA 4 9.699 11.815 -5.810 22 HB1 ALA 4 HB1 ALA 4 7.386 11.807 -5.150 23 HB2 ALA 4 HB2 ALA 4 7.996 13.459 -5.031 24 HB3 ALA 4 HB3 ALA 4 6.985 12.987 -6.398 25 H ALA 5 H ALA 5 10.567 10.707 -7.704 26 HA ALA 5 HA ALA 5 8.469 9.689 -9.509 27 HB1 ALA 5 HB1 ALA 5 11.320 10.446 -9.967 28 HB2 ALA 5 HB2 ALA 5 10.531 9.275 -11.026 29 HB3 ALA 5 HB3 ALA 5 9.876 10.907 -10.870 30 H HIS 6 H HIS 6 10.650 8.778 -7.094 31 HA HIS 6 HA HIS 6 10.360 5.956 -7.892 32 HB2 HIS 6 HB2 HIS 6 12.803 7.107 -6.529 33 HB3 HIS 6 HB3 HIS 6 12.582 5.451 -7.085 34 HD1 HIS 6 HD1 HIS 6 12.064 5.400 -9.866 35 HD2 HIS 6 HD2 HIS 6 14.238 8.567 -8.265 36 HE1 HIS 6 HE1 HIS 6 13.297 6.431 -11.802 37 HE2 HIS 6 HE2 HIS 6 14.403 8.480 -10.845 38 H SER 7 H SER 7 8.929 5.188 -6.531 39 HA SER 7 HA SER 7 7.890 4.552 -4.626 40 HB2 SER 7 HB2 SER 7 10.212 5.655 -3.035 41 HB3 SER 7 HB3 SER 7 9.064 4.404 -2.552 42 HG SER 7 HG SER 7 10.037 3.446 -4.711 43 H ALA 8 H ALA 8 9.437 7.134 -2.851 44 HA ALA 8 HA ALA 8 8.542 8.966 -1.812 45 HB1 ALA 8 HB1 ALA 8 7.918 9.352 -4.721 46 HB2 ALA 8 HB2 ALA 8 7.689 10.621 -3.518 47 HB3 ALA 8 HB3 ALA 8 9.296 9.955 -3.800 48 H ASP 9 H ASP 9 5.987 9.560 -4.019 49 HA ASP 9 HA ASP 9 4.053 8.590 -2.028 50 HB2 ASP 9 HB2 ASP 9 4.479 11.189 -2.364 51 HB3 ASP 9 HB3 ASP 9 3.393 10.953 -3.729 52 H LEU 10 H LEU 10 5.167 7.528 -4.531 53 HA LEU 10 HA LEU 10 2.684 7.103 -6.064 54 HB2 LEU 10 HB2 LEU 10 5.500 6.271 -6.774 55 HB3 LEU 10 HB3 LEU 10 4.079 6.069 -7.780 56 HG LEU 10 HG LEU 10 4.639 8.849 -6.989 57 HD11 LEU 10 HD11 LEU 10 6.364 7.890 -9.179 58 HD12 LEU 10 HD12 LEU 10 6.635 9.160 -7.988 59 HD13 LEU 10 HD13 LEU 10 6.873 7.470 -7.545 60 HD21 LEU 10 HD21 LEU 10 3.275 7.410 -9.025 61 HD22 LEU 10 HD22 LEU 10 3.288 9.147 -8.723 62 HD23 LEU 10 HD23 LEU 10 4.495 8.427 -9.788 63 H LYS 11 H LYS 11 5.331 5.524 -4.389 64 HA LYS 11 HA LYS 11 3.714 3.104 -4.210 65 HB2 LYS 11 HB2 LYS 11 6.501 3.526 -4.816 66 HB3 LYS 11 HB3 LYS 11 6.321 2.510 -3.391 67 HG2 LYS 11 HG2 LYS 11 5.135 2.037 -6.109 68 HG3 LYS 11 HG3 LYS 11 6.432 1.135 -5.337 69 HD2 LYS 11 HD2 LYS 11 3.688 1.359 -4.128 70 HD3 LYS 11 HD3 LYS 11 4.103 0.090 -5.281 71 HE2 LYS 11 HE2 LYS 11 5.009 -1.113 -3.653 72 HE3 LYS 11 HE3 LYS 11 6.135 0.194 -3.294 73 HZ1 LYS 11 HZ1 LYS 11 4.373 -0.712 -1.545 74 HZ2 LYS 11 HZ2 LYS 11 3.424 0.500 -2.252 75 HZ3 LYS 11 HZ3 LYS 11 4.915 0.892 -1.544 76 H CYS 12 H CYS 12 2.887 2.713 -2.359 77 HA CYS 12 HA CYS 12 3.253 4.287 -0.068 78 HB2 CYS 12 HB2 CYS 12 1.909 2.166 0.848 79 HB3 CYS 12 HB3 CYS 12 1.163 3.362 -0.206 80 HA PRO 13 HA PRO 13 6.375 2.442 2.442 81 HB2 PRO 13 HB2 PRO 13 5.011 1.431 4.645 82 HB3 PRO 13 HB3 PRO 13 5.530 3.104 4.442 83 HG2 PRO 13 HG2 PRO 13 2.854 1.882 3.925 84 HG3 PRO 13 HG3 PRO 13 3.251 3.449 4.659 85 HD2 PRO 13 HD2 PRO 13 2.422 3.306 2.137 86 HD3 PRO 13 HD3 PRO 13 3.719 4.431 2.602 87 H THR 14 H THR 14 3.564 0.354 2.038 88 HA THR 14 HA THR 14 4.893 -2.032 2.828 89 HB THR 14 HB THR 14 2.376 -1.920 1.186 90 HG1 THR 14 HG1 THR 14 1.412 -0.954 2.798 91 HG21 THR 14 HG21 THR 14 3.832 -3.986 2.469 92 HG22 THR 14 HG22 THR 14 2.273 -4.096 1.650 93 HG23 THR 14 HG23 THR 14 2.340 -3.748 3.379 94 HA PRO 15 HA PRO 15 7.042 -2.630 -1.074 95 HB2 PRO 15 HB2 PRO 15 7.886 -5.115 0.298 96 HB3 PRO 15 HB3 PRO 15 8.870 -3.836 -0.419 97 HG2 PRO 15 HG2 PRO 15 8.696 -4.074 2.212 98 HG3 PRO 15 HG3 PRO 15 8.697 -2.471 1.451 99 HD2 PRO 15 HD2 PRO 15 6.379 -4.066 2.502 100 HD3 PRO 15 HD3 PRO 15 6.739 -2.337 2.709 101 H GLY 16 H GLY 16 5.049 -5.019 0.568 102 HA2 GLY 16 HA2 GLY 16 4.866 -6.727 -1.748 103 HA3 GLY 16 HA3 GLY 16 4.022 -6.942 -0.226 104 H CYS 17 H CYS 17 3.633 -3.819 -1.164 105 HA CYS 17 HA CYS 17 0.999 -4.396 -2.319 106 HB2 CYS 17 HB2 CYS 17 1.183 -3.161 -0.145 107 HB3 CYS 17 HB3 CYS 17 2.002 -1.870 -1.005 108 H ASP 18 H ASP 18 0.255 -2.407 -3.724 109 HA ASP 18 HA ASP 18 2.466 -1.694 -5.536 110 HB2 ASP 18 HB2 ASP 18 1.304 -2.299 -7.422 111 HB3 ASP 18 HB3 ASP 18 0.673 -3.492 -6.292 112 H GLY 19 H GLY 19 -0.208 -0.658 -3.683 113 HA2 GLY 19 HA2 GLY 19 -0.364 1.643 -3.074 114 HA3 GLY 19 HA3 GLY 19 0.263 2.076 -4.656 115 H SER 20 H SER 20 -1.906 -0.242 -5.335 116 HA SER 20 HA SER 20 -4.070 1.729 -5.647 117 HB2 SER 20 HB2 SER 20 -3.992 -0.778 -7.268 118 HB3 SER 20 HB3 SER 20 -4.592 0.822 -7.702 119 HG SER 20 HG SER 20 -1.982 -0.203 -7.772 120 H GLY 21 H GLY 21 -6.176 1.151 -5.154 121 HA2 GLY 21 HA2 GLY 21 -7.889 -0.241 -4.353 122 HA3 GLY 21 HA3 GLY 21 -6.696 -1.496 -4.060 123 H HIS 22 H HIS 22 -8.196 -1.485 -2.118 124 HA HIS 22 HA HIS 22 -6.717 -0.326 0.081 125 HB2 HIS 22 HB2 HIS 22 -9.454 0.604 -0.622 126 HB3 HIS 22 HB3 HIS 22 -9.192 0.205 1.066 127 HD1 HIS 22 HD1 HIS 22 -8.717 2.215 2.384 128 HD2 HIS 22 HD2 HIS 22 -7.144 2.523 -1.457 129 HE1 HIS 22 HE1 HIS 22 -7.672 4.495 2.257 130 HE2 HIS 22 HE2 HIS 22 -6.950 4.748 -0.141 131 H ILE 23 H ILE 23 -7.385 -1.304 2.150 132 HA ILE 23 HA ILE 23 -8.064 -4.078 1.880 133 HB ILE 23 HB ILE 23 -6.966 -2.401 3.920 134 HG12 ILE 23 HG12 ILE 23 -5.929 -4.444 3.161 135 HG13 ILE 23 HG13 ILE 23 -6.276 -4.589 4.881 136 HG21 ILE 23 HG21 ILE 23 -9.521 -3.694 4.679 137 HG22 ILE 23 HG22 ILE 23 -8.180 -3.818 5.817 138 HG23 ILE 23 HG23 ILE 23 -8.757 -2.232 5.304 139 HD11 ILE 23 HD11 ILE 23 -7.133 -6.574 4.333 140 HD12 ILE 23 HD12 ILE 23 -8.522 -5.658 3.751 141 HD13 ILE 23 HD13 ILE 23 -7.259 -6.155 2.626 142 H THR 24 H THR 24 -9.725 -1.113 2.569 143 HA THR 24 HA THR 24 -12.139 -2.313 3.509 144 HB THR 24 HB THR 24 -11.247 0.083 3.941 145 HG1 THR 24 HG1 THR 24 -13.415 -0.938 4.454 146 HG21 THR 24 HG21 THR 24 -11.316 1.588 2.303 147 HG22 THR 24 HG22 THR 24 -13.014 1.231 1.988 148 HG23 THR 24 HG23 THR 24 -11.753 0.296 1.186 149 H GLY 25 H GLY 25 -10.799 -1.958 0.422 150 HA2 GLY 25 HA2 GLY 25 -11.601 -2.412 -1.676 151 HA3 GLY 25 HA3 GLY 25 -12.896 -3.273 -0.859 152 H ASN 26 H ASN 26 -12.107 0.193 -0.899 153 HA ASN 26 HA ASN 26 -14.613 0.715 -2.316 154 HB2 ASN 26 HB2 ASN 26 -13.944 1.474 0.475 155 HB3 ASN 26 HB3 ASN 26 -14.786 2.671 -0.497 156 HD21 ASN 26 HD21 ASN 26 -15.131 0.088 1.502 157 HD22 ASN 26 HD22 ASN 26 -16.761 -0.325 1.127 158 H TYR 27 H TYR 27 -11.398 1.218 -2.314 159 HA TYR 27 HA TYR 27 -11.703 3.899 -3.471 160 HB2 TYR 27 HB2 TYR 27 -9.518 2.924 -1.635 161 HB3 TYR 27 HB3 TYR 27 -9.407 4.391 -2.580 162 HD1 TYR 27 HD1 TYR 27 -11.275 2.748 0.169 163 HD2 TYR 27 HD2 TYR 27 -10.448 6.395 -1.874 164 HE1 TYR 27 HE1 TYR 27 -12.417 4.005 1.949 165 HE2 TYR 27 HE2 TYR 27 -11.586 7.656 -0.100 166 HH TYR 27 HH TYR 27 -13.498 6.114 2.320 167 H ALA 28 H ALA 28 -10.164 4.459 -5.070 168 HA ALA 28 HA ALA 28 -9.506 2.235 -6.769 169 HB1 ALA 28 HB1 ALA 28 -8.632 5.035 -7.325 170 HB2 ALA 28 HB2 ALA 28 -9.151 3.780 -8.447 171 HB3 ALA 28 HB3 ALA 28 -10.338 4.603 -7.434 172 H SER 29 H SER 29 -7.701 4.570 -4.804 173 HA SER 29 HA SER 29 -5.403 2.819 -4.815 174 HB2 SER 29 HB2 SER 29 -4.124 5.132 -5.571 175 HB3 SER 29 HB3 SER 29 -4.465 3.767 -6.635 176 HG SER 29 HG SER 29 -5.688 5.067 -7.729 177 H HIS 30 H HIS 30 -3.504 3.985 -3.679 178 HA HIS 30 HA HIS 30 -4.261 5.996 -1.744 179 HB2 HIS 30 HB2 HIS 30 -3.619 4.600 0.187 180 HB3 HIS 30 HB3 HIS 30 -5.026 3.942 -0.637 181 HD1 HIS 30 HD1 HIS 30 -4.696 1.663 -1.917 182 HD2 HIS 30 HD2 HIS 30 -1.342 3.023 0.141 183 HE1 HIS 30 HE1 HIS 30 -3.018 -0.238 -1.919 184 H ARG 31 H ARG 31 -2.086 5.677 -0.022 185 HA ARG 31 HA ARG 31 0.329 5.239 -1.494 186 HB2 ARG 31 HB2 ARG 31 1.147 7.642 -0.983 187 HB3 ARG 31 HB3 ARG 31 0.120 7.388 -2.386 188 HG2 ARG 31 HG2 ARG 31 -1.682 7.918 -0.369 189 HG3 ARG 31 HG3 ARG 31 -0.329 8.993 -0.012 190 HD2 ARG 31 HD2 ARG 31 -2.204 9.828 -1.579 191 HD3 ARG 31 HD3 ARG 31 -0.524 10.124 -2.027 192 HE ARG 31 HE ARG 31 -0.751 8.130 -3.506 193 HH11 ARG 31 HH12 ARG 31 -3.597 9.957 -2.555 194 HH12 ARG 31 HH11 ARG 31 -4.513 9.489 -3.961 195 HH21 ARG 31 HH22 ARG 31 -1.954 7.523 -5.341 196 HH22 ARG 31 HH21 ARG 31 -3.584 8.101 -5.536 197 H SER 32 H SER 32 -1.242 4.742 1.117 198 HA SER 32 HA SER 32 1.093 4.836 2.854 199 HB2 SER 32 HB2 SER 32 -1.086 5.470 4.526 200 HB3 SER 32 HB3 SER 32 0.275 6.510 4.107 201 HG SER 32 HG SER 32 -0.995 7.645 2.884 202 H LEU 33 H LEU 33 0.523 3.615 4.986 203 HA LEU 33 HA LEU 33 -0.387 1.023 4.227 204 HB2 LEU 33 HB2 LEU 33 0.919 2.285 6.510 205 HB3 LEU 33 HB3 LEU 33 -0.203 1.021 6.979 206 HG LEU 33 HG LEU 33 1.716 0.384 4.813 207 HD11 LEU 33 HD11 LEU 33 3.249 -0.318 6.848 208 HD12 LEU 33 HD12 LEU 33 3.378 1.269 6.092 209 HD13 LEU 33 HD13 LEU 33 2.477 1.079 7.596 210 HD21 LEU 33 HD21 LEU 33 1.459 -1.460 7.021 211 HD22 LEU 33 HD22 LEU 33 -0.118 -0.992 6.385 212 HD23 LEU 33 HD23 LEU 33 1.093 -1.691 5.310 213 H SER 34 H SER 34 -2.025 3.753 5.146 214 HA SER 34 HA SER 34 -4.130 2.515 6.672 215 HB2 SER 34 HB2 SER 34 -4.955 4.984 5.502 216 HB3 SER 34 HB3 SER 34 -4.514 4.666 7.183 217 HG SER 34 HG SER 34 -3.252 6.293 5.842 218 H GLY 35 H GLY 35 -3.217 2.441 3.491 219 HA2 GLY 35 HA2 GLY 35 -5.969 1.812 2.644 220 HA3 GLY 35 HA3 GLY 35 -4.871 2.710 1.609 221 H CYS 36 H CYS 36 -2.753 0.774 2.913 222 HA CYS 36 HA CYS 36 -2.439 -0.856 0.678 223 HB2 CYS 36 HB2 CYS 36 -1.319 -0.994 3.469 224 HB3 CYS 36 HB3 CYS 36 -0.876 -2.176 2.239 225 HA PRO 37 HA PRO 37 -5.510 -3.996 1.776 226 HB2 PRO 37 HB2 PRO 37 -5.465 -5.230 -0.629 227 HB3 PRO 37 HB3 PRO 37 -6.379 -3.747 -0.340 228 HG2 PRO 37 HG2 PRO 37 -3.706 -4.106 -1.633 229 HG3 PRO 37 HG3 PRO 37 -5.048 -3.049 -2.109 230 HD2 PRO 37 HD2 PRO 37 -2.863 -2.156 -0.749 231 HD3 PRO 37 HD3 PRO 37 -4.471 -1.426 -0.596 232 H ARG 38 H ARG 38 -2.250 -4.219 0.683 233 HA ARG 38 HA ARG 38 -2.098 -7.035 1.527 234 HB2 ARG 38 HB2 ARG 38 -0.325 -5.465 -0.344 235 HB3 ARG 38 HB3 ARG 38 0.034 -7.093 0.214 236 HG2 ARG 38 HG2 ARG 38 -1.309 -8.000 -1.303 237 HG3 ARG 38 HG3 ARG 38 -2.631 -6.902 -0.898 238 HD2 ARG 38 HD2 ARG 38 -0.792 -5.302 -2.208 239 HD3 ARG 38 HD3 ARG 38 -0.762 -6.817 -3.108 240 HE ARG 38 HE ARG 38 -3.395 -6.384 -2.891 241 HH11 ARG 38 HH12 ARG 38 -0.803 -4.195 -3.722 242 HH12 ARG 38 HH11 ARG 38 -1.742 -3.281 -4.868 243 HH21 ARG 38 HH22 ARG 38 -4.660 -5.181 -4.395 244 HH22 ARG 38 HH21 ARG 38 -3.926 -3.864 -5.265 245 H ALA 39 H ALA 39 -2.156 -4.972 3.408 246 HA ALA 39 HA ALA 39 0.181 -3.826 4.239 247 HB1 ALA 39 HB1 ALA 39 -0.782 -3.621 6.406 248 HB2 ALA 39 HB2 ALA 39 -2.100 -3.524 5.240 249 HB3 ALA 39 HB3 ALA 39 -1.830 -5.015 6.142 250 H LYS 40 H LYS 40 2.019 -4.443 5.186 251 HA LYS 40 HA LYS 40 2.493 -7.285 5.538 252 HB2 LYS 40 HB2 LYS 40 4.761 -6.824 5.386 253 HB3 LYS 40 HB3 LYS 40 4.074 -5.566 4.370 254 HG2 LYS 40 HG2 LYS 40 4.256 -4.659 7.087 255 HG3 LYS 40 HG3 LYS 40 5.818 -5.259 6.529 256 HD2 LYS 40 HD2 LYS 40 6.124 -3.451 5.264 257 HD3 LYS 40 HD3 LYS 40 4.558 -3.676 4.482 258 HE2 LYS 40 HE2 LYS 40 4.536 -1.535 5.514 259 HE3 LYS 40 HE3 LYS 40 3.502 -2.592 6.474 260 HZ1 LYS 40 HZ1 LYS 40 4.928 -1.233 7.874 261 HZ2 LYS 40 HZ2 LYS 40 6.310 -1.864 7.120 262 HZ3 LYS 40 HZ3 LYS 40 5.315 -2.875 8.046 263 H LYS 41 H LYS 41 3.574 -8.085 7.480 264 HA LYS 41 HA LYS 41 2.739 -6.583 9.878 265 HB2 LYS 41 HB2 LYS 41 2.711 -9.495 9.222 266 HB3 LYS 41 HB3 LYS 41 3.023 -9.025 10.888 267 HG2 LYS 41 HG2 LYS 41 0.812 -9.035 11.123 268 HG3 LYS 41 HG3 LYS 41 0.844 -7.502 10.246 269 HD2 LYS 41 HD2 LYS 41 0.079 -8.432 8.314 270 HD3 LYS 41 HD3 LYS 41 0.844 -9.989 8.636 271 HE2 LYS 41 HE2 LYS 41 -0.864 -10.469 10.324 272 HE3 LYS 41 HE3 LYS 41 -1.630 -8.918 9.987 273 HZ1 LYS 41 HZ1 LYS 41 -2.124 -9.629 7.771 274 HZ2 LYS 41 HZ2 LYS 41 -2.694 -10.814 8.848 275 HZ3 LYS 41 HZ3 LYS 41 -1.260 -11.073 7.976 276 H SER 42 H SER 42 4.527 -9.227 10.727 277 HA SER 42 HA SER 42 6.837 -7.629 11.373 278 HB2 SER 42 HB2 SER 42 6.980 -10.538 11.794 279 HB3 SER 42 HB3 SER 42 7.236 -9.220 12.938 280 HG SER 42 HG SER 42 4.964 -9.000 13.091 281 H GLY 43 H GLY 43 7.986 -7.139 9.586 282 HA2 GLY 43 HA2 GLY 43 9.823 -7.808 8.174 283 HA3 GLY 43 HA3 GLY 43 9.086 -9.400 8.041 284 H LEU 44 H LEU 44 9.454 -6.393 6.605 285 HA LEU 44 HA LEU 44 7.048 -5.938 5.321 286 HB2 LEU 44 HB2 LEU 44 8.807 -5.055 3.451 287 HB3 LEU 44 HB3 LEU 44 8.331 -4.156 4.876 288 HG LEU 44 HG LEU 44 10.446 -5.650 5.807 289 HD11 LEU 44 HD11 LEU 44 10.899 -6.352 3.456 290 HD12 LEU 44 HD12 LEU 44 11.194 -4.658 3.065 291 HD13 LEU 44 HD13 LEU 44 12.230 -5.488 4.228 292 HD21 LEU 44 HD21 LEU 44 9.847 -3.195 6.075 293 HD22 LEU 44 HD22 LEU 44 11.562 -3.595 6.002 294 HD23 LEU 44 HD23 LEU 44 10.751 -2.927 4.584 295 H ARG 45 H ARG 45 9.875 -7.448 3.777 296 HA ARG 45 HA ARG 45 8.196 -9.423 2.490 297 HB2 ARG 45 HB2 ARG 45 9.434 -7.138 1.033 298 HB3 ARG 45 HB3 ARG 45 9.539 -8.720 0.275 299 HG2 ARG 45 HG2 ARG 45 6.899 -8.571 1.025 300 HG3 ARG 45 HG3 ARG 45 7.276 -6.916 0.544 301 HD2 ARG 45 HD2 ARG 45 7.542 -7.468 -1.631 302 HD3 ARG 45 HD3 ARG 45 8.267 -9.031 -1.256 303 HE ARG 45 HE ARG 45 5.566 -9.159 -0.554 304 HH11 ARG 45 HH12 ARG 45 7.487 -8.739 -3.462 305 HH12 ARG 45 HH11 ARG 45 6.347 -9.574 -4.478 306 HH21 ARG 45 HH22 ARG 45 4.063 -10.220 -1.896 307 HH22 ARG 45 HH21 ARG 45 4.390 -10.382 -3.598 308 H VAL 46 H VAL 46 9.560 -11.034 1.327 309 HA VAL 46 HA VAL 46 12.183 -11.229 2.643 310 HB VAL 46 HB VAL 46 11.857 -13.716 1.688 311 HG11 VAL 46 HG11 VAL 46 11.420 -14.393 3.886 312 HG12 VAL 46 HG12 VAL 46 12.260 -12.852 4.049 313 HG13 VAL 46 HG13 VAL 46 10.510 -12.927 4.249 314 HG21 VAL 46 HG21 VAL 46 9.562 -14.463 1.997 315 HG22 VAL 46 HG22 VAL 46 9.050 -12.806 2.325 316 HG23 VAL 46 HG23 VAL 46 9.652 -13.244 0.724 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 19.132 18.110 6.246 2 H2 GLY 1 H2 GLY 1 20.001 19.533 5.935 3 H3 GLY 1 H3 GLY 1 20.372 18.594 7.296 4 HA2 GLY 1 HA3 GLY 1 21.619 18.469 4.887 5 HA3 GLY 1 HA2 GLY 1 21.718 17.266 6.167 6 H SER 2 H SER 2 21.514 15.312 5.321 7 HA SER 2 HA SER 2 19.554 14.919 3.154 8 HB2 SER 2 HB2 SER 2 21.469 12.753 3.503 9 HB3 SER 2 HB3 SER 2 21.097 13.701 2.060 10 HG SER 2 HG SER 2 22.523 15.298 2.777 11 H MET 3 H MET 3 18.777 14.949 5.895 12 HA MET 3 HA MET 3 18.271 12.109 6.470 13 HB2 MET 3 HB2 MET 3 19.066 14.120 8.154 14 HB3 MET 3 HB3 MET 3 17.327 14.096 8.418 15 HG2 MET 3 HG2 MET 3 18.495 11.437 8.408 16 HG3 MET 3 HG3 MET 3 19.185 12.487 9.644 17 HE1 MET 3 HE1 MET 3 18.471 10.509 10.927 18 HE2 MET 3 HE2 MET 3 17.776 11.528 12.189 19 HE3 MET 3 HE3 MET 3 16.845 10.185 11.526 20 H ALA 4 H ALA 4 16.955 14.089 4.511 21 HA ALA 4 HA ALA 4 14.183 13.901 5.445 22 HB1 ALA 4 HB1 ALA 4 13.638 15.592 4.002 23 HB2 ALA 4 HB2 ALA 4 15.319 16.003 4.338 24 HB3 ALA 4 HB3 ALA 4 14.898 15.164 2.846 25 H ALA 5 H ALA 5 13.426 11.919 5.088 26 HA ALA 5 HA ALA 5 13.875 10.722 2.431 27 HB1 ALA 5 HB1 ALA 5 14.380 8.788 3.406 28 HB2 ALA 5 HB2 ALA 5 14.383 9.630 4.954 29 HB3 ALA 5 HB3 ALA 5 12.916 8.831 4.386 30 H HIS 6 H HIS 6 11.987 12.502 2.341 31 HA HIS 6 HA HIS 6 9.496 10.946 2.441 32 HB2 HIS 6 HB2 HIS 6 10.037 13.360 3.830 33 HB3 HIS 6 HB3 HIS 6 8.915 13.754 2.530 34 HD1 HIS 6 HD1 HIS 6 9.208 11.231 5.372 35 HD2 HIS 6 HD2 HIS 6 6.325 13.240 3.141 36 HE1 HIS 6 HE1 HIS 6 6.999 10.598 6.389 37 HE2 HIS 6 HE2 HIS 6 5.290 11.968 5.146 38 H SER 7 H SER 7 7.935 12.920 1.096 39 HA SER 7 HA SER 7 7.350 13.589 -0.984 40 HB2 SER 7 HB2 SER 7 10.248 13.555 -1.809 41 HB3 SER 7 HB3 SER 7 8.949 14.594 -2.398 42 HG SER 7 HG SER 7 9.075 15.022 0.186 43 H ALA 8 H ALA 8 7.722 12.902 -3.442 44 HA ALA 8 HA ALA 8 7.295 11.226 -4.920 45 HB1 ALA 8 HB1 ALA 8 9.421 10.513 -5.195 46 HB2 ALA 8 HB2 ALA 8 9.687 10.303 -3.464 47 HB3 ALA 8 HB3 ALA 8 8.810 9.075 -4.376 48 H ASP 9 H ASP 9 5.505 11.456 -2.974 49 HA ASP 9 HA ASP 9 5.028 8.891 -1.679 50 HB2 ASP 9 HB2 ASP 9 4.653 11.392 -0.812 51 HB3 ASP 9 HB3 ASP 9 3.076 11.150 -1.553 52 H LEU 10 H LEU 10 4.895 8.206 -4.130 53 HA LEU 10 HA LEU 10 2.093 8.319 -4.990 54 HB2 LEU 10 HB2 LEU 10 4.560 7.366 -6.441 55 HB3 LEU 10 HB3 LEU 10 2.931 7.292 -7.092 56 HG LEU 10 HG LEU 10 4.070 9.916 -6.211 57 HD11 LEU 10 HD11 LEU 10 4.909 10.282 -8.480 58 HD12 LEU 10 HD12 LEU 10 5.762 8.970 -7.667 59 HD13 LEU 10 HD13 LEU 10 4.536 8.605 -8.884 60 HD21 LEU 10 HD21 LEU 10 1.818 8.930 -7.862 61 HD22 LEU 10 HD22 LEU 10 1.907 10.311 -6.768 62 HD23 LEU 10 HD23 LEU 10 2.603 10.422 -8.383 63 H LYS 11 H LYS 11 4.724 6.147 -4.204 64 HA LYS 11 HA LYS 11 2.796 3.993 -3.934 65 HB2 LYS 11 HB2 LYS 11 5.433 4.094 -4.996 66 HB3 LYS 11 HB3 LYS 11 5.445 3.057 -3.572 67 HG2 LYS 11 HG2 LYS 11 3.566 2.802 -5.904 68 HG3 LYS 11 HG3 LYS 11 4.988 1.810 -5.610 69 HD2 LYS 11 HD2 LYS 11 2.925 2.043 -3.477 70 HD3 LYS 11 HD3 LYS 11 2.594 1.005 -4.863 71 HE2 LYS 11 HE2 LYS 11 3.818 -0.604 -3.953 72 HE3 LYS 11 HE3 LYS 11 5.228 0.451 -3.983 73 HZ1 LYS 11 HZ1 LYS 11 4.350 -0.545 -1.752 74 HZ2 LYS 11 HZ2 LYS 11 3.289 0.776 -1.797 75 HZ3 LYS 11 HZ3 LYS 11 4.966 1.028 -1.806 76 H CYS 12 H CYS 12 2.262 3.351 -2.101 77 HA CYS 12 HA CYS 12 2.796 4.494 0.336 78 HB2 CYS 12 HB2 CYS 12 1.637 2.511 1.252 79 HB3 CYS 12 HB3 CYS 12 0.825 3.140 -0.178 80 HA PRO 13 HA PRO 13 6.519 2.797 1.973 81 HB2 PRO 13 HB2 PRO 13 5.815 1.904 4.460 82 HB3 PRO 13 HB3 PRO 13 5.998 3.610 4.045 83 HG2 PRO 13 HG2 PRO 13 3.500 1.968 4.186 84 HG3 PRO 13 HG3 PRO 13 3.809 3.594 4.829 85 HD2 PRO 13 HD2 PRO 13 2.491 3.246 2.534 86 HD3 PRO 13 HD3 PRO 13 3.638 4.587 2.737 87 H THR 14 H THR 14 3.742 0.661 2.113 88 HA THR 14 HA THR 14 5.049 -1.691 2.892 89 HB THR 14 HB THR 14 2.574 -1.576 1.174 90 HG1 THR 14 HG1 THR 14 1.515 -0.816 2.854 91 HG21 THR 14 HG21 THR 14 2.561 -3.783 1.486 92 HG22 THR 14 HG22 THR 14 2.423 -3.507 3.223 93 HG23 THR 14 HG23 THR 14 4.013 -3.681 2.481 94 HA PRO 15 HA PRO 15 7.284 -2.467 -0.896 95 HB2 PRO 15 HB2 PRO 15 8.200 -4.863 0.552 96 HB3 PRO 15 HB3 PRO 15 9.139 -3.516 -0.097 97 HG2 PRO 15 HG2 PRO 15 8.815 -3.807 2.526 98 HG3 PRO 15 HG3 PRO 15 8.795 -2.201 1.773 99 HD2 PRO 15 HD2 PRO 15 6.472 -3.908 2.623 100 HD3 PRO 15 HD3 PRO 15 6.760 -2.179 2.927 101 H GLY 16 H GLY 16 5.443 -4.964 0.836 102 HA2 GLY 16 HA2 GLY 16 5.359 -6.690 -1.472 103 HA3 GLY 16 HA3 GLY 16 4.595 -6.982 0.080 104 H CYS 17 H CYS 17 3.798 -3.934 -0.838 105 HA CYS 17 HA CYS 17 1.109 -4.717 -1.536 106 HB2 CYS 17 HB2 CYS 17 1.823 -2.813 0.020 107 HB3 CYS 17 HB3 CYS 17 2.232 -1.926 -1.438 108 H ASP 18 H ASP 18 0.202 -2.878 -3.188 109 HA ASP 18 HA ASP 18 1.910 -2.928 -5.585 110 HB2 ASP 18 HB2 ASP 18 0.238 -3.677 -6.967 111 HB3 ASP 18 HB3 ASP 18 -0.212 -4.515 -5.486 112 H GLY 19 H GLY 19 -0.158 -1.249 -3.441 113 HA2 GLY 19 HA2 GLY 19 -0.043 1.069 -3.130 114 HA3 GLY 19 HA3 GLY 19 0.581 1.238 -4.760 115 H SER 20 H SER 20 -2.064 -0.737 -4.981 116 HA SER 20 HA SER 20 -3.813 1.577 -5.507 117 HB2 SER 20 HB2 SER 20 -4.359 -0.960 -6.933 118 HB3 SER 20 HB3 SER 20 -4.456 0.703 -7.511 119 HG SER 20 HG SER 20 -2.262 -1.048 -7.415 120 H GLY 21 H GLY 21 -6.098 1.225 -5.237 121 HA2 GLY 21 HA2 GLY 21 -7.961 0.457 -4.157 122 HA3 GLY 21 HA3 GLY 21 -7.169 -1.105 -4.058 123 H HIS 22 H HIS 22 -8.396 -1.087 -2.028 124 HA HIS 22 HA HIS 22 -6.639 -0.366 0.167 125 HB2 HIS 22 HB2 HIS 22 -9.324 0.825 -0.235 126 HB3 HIS 22 HB3 HIS 22 -9.007 0.201 1.371 127 HD1 HIS 22 HD1 HIS 22 -8.754 2.277 2.688 128 HD2 HIS 22 HD2 HIS 22 -6.484 2.346 -0.789 129 HE1 HIS 22 HE1 HIS 22 -7.346 4.343 2.844 130 HE2 HIS 22 HE2 HIS 22 -6.219 4.516 0.597 131 H ILE 23 H ILE 23 -7.027 -1.687 2.051 132 HA ILE 23 HA ILE 23 -8.018 -4.305 1.545 133 HB ILE 23 HB ILE 23 -6.592 -3.039 3.627 134 HG12 ILE 23 HG12 ILE 23 -6.111 -5.223 2.586 135 HG13 ILE 23 HG13 ILE 23 -6.107 -5.304 4.344 136 HG21 ILE 23 HG21 ILE 23 -8.392 -2.622 5.030 137 HG22 ILE 23 HG22 ILE 23 -9.220 -4.110 4.572 138 HG23 ILE 23 HG23 ILE 23 -7.789 -4.179 5.601 139 HD11 ILE 23 HD11 ILE 23 -7.256 -7.162 2.950 140 HD12 ILE 23 HD12 ILE 23 -8.026 -6.566 4.421 141 HD13 ILE 23 HD13 ILE 23 -8.586 -6.007 2.844 142 H THR 24 H THR 24 -9.309 -1.363 2.500 143 HA THR 24 HA THR 24 -11.818 -1.838 3.566 144 HB THR 24 HB THR 24 -11.240 0.163 1.408 145 HG1 THR 24 HG1 THR 24 -10.569 0.756 4.073 146 HG21 THR 24 HG21 THR 24 -12.773 1.511 2.488 147 HG22 THR 24 HG22 THR 24 -12.678 0.588 3.989 148 HG23 THR 24 HG23 THR 24 -13.473 -0.102 2.572 149 H GLY 25 H GLY 25 -10.907 -1.428 0.158 150 HA2 GLY 25 HA2 GLY 25 -11.792 -2.617 -1.693 151 HA3 GLY 25 HA3 GLY 25 -13.128 -3.144 -0.678 152 H ASN 26 H ASN 26 -12.245 0.142 -0.426 153 HA ASN 26 HA ASN 26 -14.549 0.919 -2.084 154 HB2 ASN 26 HB2 ASN 26 -13.846 1.533 0.735 155 HB3 ASN 26 HB3 ASN 26 -14.579 2.829 -0.203 156 HD21 ASN 26 HD21 ASN 26 -15.358 0.756 1.987 157 HD22 ASN 26 HD22 ASN 26 -16.936 0.270 1.481 158 H TYR 27 H TYR 27 -11.362 1.093 -2.187 159 HA TYR 27 HA TYR 27 -11.352 3.900 -3.078 160 HB2 TYR 27 HB2 TYR 27 -9.307 2.394 -1.476 161 HB3 TYR 27 HB3 TYR 27 -8.830 3.757 -2.466 162 HD1 TYR 27 HD2 TYR 27 -11.393 2.885 0.094 163 HD2 TYR 27 HD1 TYR 27 -8.745 5.826 -1.449 164 HE1 TYR 27 HE2 TYR 27 -12.037 4.401 1.917 165 HE2 TYR 27 HE1 TYR 27 -9.364 7.356 0.376 166 HH TYR 27 HH TYR 27 -11.660 7.523 1.931 167 H ALA 28 H ALA 28 -9.509 4.341 -4.604 168 HA ALA 28 HA ALA 28 -9.328 2.118 -6.516 169 HB1 ALA 28 HB1 ALA 28 -10.335 4.182 -7.357 170 HB2 ALA 28 HB2 ALA 28 -8.863 5.064 -6.952 171 HB3 ALA 28 HB3 ALA 28 -8.827 3.811 -8.193 172 H SER 29 H SER 29 -7.459 4.280 -4.510 173 HA SER 29 HA SER 29 -5.124 2.669 -4.743 174 HB2 SER 29 HB2 SER 29 -3.890 4.981 -5.561 175 HB3 SER 29 HB3 SER 29 -4.262 3.614 -6.609 176 HG SER 29 HG SER 29 -5.731 4.767 -7.587 177 H HIS 30 H HIS 30 -3.208 3.822 -3.679 178 HA HIS 30 HA HIS 30 -3.901 5.883 -1.788 179 HB2 HIS 30 HB2 HIS 30 -3.148 4.568 0.166 180 HB3 HIS 30 HB3 HIS 30 -4.628 3.942 -0.534 181 HD1 HIS 30 HD1 HIS 30 -4.315 1.663 -2.005 182 HD2 HIS 30 HD2 HIS 30 -1.129 2.823 0.407 183 HE1 HIS 30 HE1 HIS 30 -2.772 -0.344 -1.825 184 H ARG 31 H ARG 31 -1.868 6.288 -0.348 185 HA ARG 31 HA ARG 31 0.565 5.860 -1.941 186 HB2 ARG 31 HB2 ARG 31 0.143 8.553 -0.739 187 HB3 ARG 31 HB3 ARG 31 1.051 8.096 -2.171 188 HG2 ARG 31 HG2 ARG 31 -1.782 7.624 -2.516 189 HG3 ARG 31 HG3 ARG 31 -1.440 9.300 -2.086 190 HD2 ARG 31 HD2 ARG 31 -1.243 9.391 -4.371 191 HD3 ARG 31 HD3 ARG 31 0.426 9.069 -3.906 192 HE ARG 31 HE ARG 31 -0.011 6.705 -4.457 193 HH11 ARG 31 HH12 ARG 31 -2.077 9.187 -5.819 194 HH12 ARG 31 HH11 ARG 31 -2.577 8.203 -7.164 195 HH21 ARG 31 HH22 ARG 31 -0.660 5.413 -6.229 196 HH22 ARG 31 HH21 ARG 31 -1.769 6.064 -7.406 197 H SER 32 H SER 32 -0.948 5.734 1.002 198 HA SER 32 HA SER 32 1.631 5.605 2.394 199 HB2 SER 32 HB2 SER 32 -0.347 6.607 4.211 200 HB3 SER 32 HB3 SER 32 1.170 7.359 3.718 201 HG SER 32 HG SER 32 -1.008 7.481 1.959 202 H LEU 33 H LEU 33 1.075 4.730 4.780 203 HA LEU 33 HA LEU 33 -0.150 2.166 4.378 204 HB2 LEU 33 HB2 LEU 33 1.548 3.452 6.363 205 HB3 LEU 33 HB3 LEU 33 0.313 2.447 7.097 206 HG LEU 33 HG LEU 33 2.309 1.533 5.034 207 HD11 LEU 33 HD11 LEU 33 2.490 0.170 7.528 208 HD12 LEU 33 HD12 LEU 33 3.713 1.137 6.701 209 HD13 LEU 33 HD13 LEU 33 2.586 1.907 7.819 210 HD21 LEU 33 HD21 LEU 33 0.641 0.054 4.660 211 HD22 LEU 33 HD22 LEU 33 1.345 -0.722 6.080 212 HD23 LEU 33 HD23 LEU 33 -0.084 0.298 6.248 213 H SER 34 H SER 34 -2.098 3.910 3.881 214 HA SER 34 HA SER 34 -3.686 4.368 6.268 215 HB2 SER 34 HB2 SER 34 -4.874 4.871 3.616 216 HB3 SER 34 HB3 SER 34 -4.787 5.922 5.031 217 HG SER 34 HG SER 34 -3.178 6.885 4.100 218 H GLY 35 H GLY 35 -3.664 2.293 3.423 219 HA2 GLY 35 HA2 GLY 35 -5.425 0.413 4.655 220 HA3 GLY 35 HA3 GLY 35 -6.239 1.354 3.421 221 H CYS 36 H CYS 36 -3.016 -0.134 3.678 222 HA CYS 36 HA CYS 36 -2.828 -0.935 0.993 223 HB2 CYS 36 HB2 CYS 36 -1.529 -1.945 3.529 224 HB3 CYS 36 HB3 CYS 36 -1.150 -2.625 1.948 225 HA PRO 37 HA PRO 37 -5.832 -4.301 1.372 226 HB2 PRO 37 HB2 PRO 37 -6.195 -4.729 -1.246 227 HB3 PRO 37 HB3 PRO 37 -6.887 -3.303 -0.444 228 HG2 PRO 37 HG2 PRO 37 -4.400 -3.527 -2.112 229 HG3 PRO 37 HG3 PRO 37 -5.652 -2.272 -2.130 230 HD2 PRO 37 HD2 PRO 37 -3.252 -2.017 -0.829 231 HD3 PRO 37 HD3 PRO 37 -4.730 -1.160 -0.354 232 H ARG 38 H ARG 38 -2.730 -4.155 0.072 233 HA ARG 38 HA ARG 38 -2.469 -7.063 -0.186 234 HB2 ARG 38 HB2 ARG 38 -0.903 -4.715 -1.132 235 HB3 ARG 38 HB3 ARG 38 -0.006 -6.157 -0.722 236 HG2 ARG 38 HG2 ARG 38 -0.361 -6.535 -2.932 237 HG3 ARG 38 HG3 ARG 38 -1.808 -7.303 -2.264 238 HD2 ARG 38 HD2 ARG 38 -2.204 -4.492 -2.605 239 HD3 ARG 38 HD3 ARG 38 -1.686 -5.219 -4.125 240 HE ARG 38 HE ARG 38 -3.699 -6.819 -2.978 241 HH11 ARG 38 HH12 ARG 38 -3.326 -3.669 -4.516 242 HH12 ARG 38 HH11 ARG 38 -4.956 -3.662 -5.135 243 HH21 ARG 38 HH22 ARG 38 -5.830 -6.781 -3.796 244 HH22 ARG 38 HH21 ARG 38 -6.358 -5.421 -4.739 245 H ALA 39 H ALA 39 -3.133 -5.951 2.240 246 HA ALA 39 HA ALA 39 -1.205 -5.089 3.952 247 HB1 ALA 39 HB1 ALA 39 -3.582 -5.181 4.493 248 HB2 ALA 39 HB2 ALA 39 -3.481 -6.935 4.648 249 HB3 ALA 39 HB3 ALA 39 -2.599 -5.899 5.770 250 H LYS 40 H LYS 40 0.245 -5.942 5.312 251 HA LYS 40 HA LYS 40 1.797 -8.058 4.550 252 HB2 LYS 40 HB2 LYS 40 1.671 -7.388 7.456 253 HB3 LYS 40 HB3 LYS 40 3.071 -7.614 6.417 254 HG2 LYS 40 HG2 LYS 40 2.349 -5.427 5.285 255 HG3 LYS 40 HG3 LYS 40 1.317 -5.189 6.698 256 HD2 LYS 40 HD2 LYS 40 3.063 -4.706 8.035 257 HD3 LYS 40 HD3 LYS 40 4.097 -5.934 7.304 258 HE2 LYS 40 HE2 LYS 40 5.126 -3.914 6.741 259 HE3 LYS 40 HE3 LYS 40 4.226 -4.357 5.290 260 HZ1 LYS 40 HZ1 LYS 40 3.963 -2.008 5.861 261 HZ2 LYS 40 HZ2 LYS 40 3.297 -2.432 7.362 262 HZ3 LYS 40 HZ3 LYS 40 2.481 -2.830 5.930 263 H LYS 41 H LYS 41 -0.725 -8.064 7.059 264 HA LYS 41 HA LYS 41 -1.323 -10.802 6.525 265 HB2 LYS 41 HB2 LYS 41 0.602 -10.274 8.556 266 HB3 LYS 41 HB3 LYS 41 -0.872 -10.819 9.344 267 HG2 LYS 41 HG2 LYS 41 -0.241 -12.447 7.040 268 HG3 LYS 41 HG3 LYS 41 1.089 -12.408 8.199 269 HD2 LYS 41 HD2 LYS 41 -1.181 -12.697 9.769 270 HD3 LYS 41 HD3 LYS 41 -1.481 -13.735 8.376 271 HE2 LYS 41 HE2 LYS 41 -0.335 -15.210 9.676 272 HE3 LYS 41 HE3 LYS 41 1.027 -14.457 8.845 273 HZ1 LYS 41 HZ1 LYS 41 0.575 -12.856 11.018 274 HZ2 LYS 41 HZ2 LYS 41 1.808 -14.006 10.864 275 HZ3 LYS 41 HZ3 LYS 41 0.347 -14.425 11.620 276 H SER 42 H SER 42 -1.994 -10.293 9.739 277 HA SER 42 HA SER 42 -4.758 -9.655 9.220 278 HB2 SER 42 HB2 SER 42 -3.724 -9.635 12.004 279 HB3 SER 42 HB3 SER 42 -5.143 -10.444 11.333 280 HG SER 42 HG SER 42 -3.836 -12.066 10.533 281 H GLY 43 H GLY 43 -3.694 -7.620 8.189 282 HA2 GLY 43 HA2 GLY 43 -4.364 -5.248 8.726 283 HA3 GLY 43 HA3 GLY 43 -3.464 -5.500 10.218 284 H LEU 44 H LEU 44 -2.534 -3.457 8.976 285 HA LEU 44 HA LEU 44 -0.376 -4.364 7.204 286 HB2 LEU 44 HB2 LEU 44 -0.340 -1.603 7.203 287 HB3 LEU 44 HB3 LEU 44 -1.030 -2.642 5.971 288 HG LEU 44 HG LEU 44 -2.989 -2.360 7.993 289 HD11 LEU 44 HD11 LEU 44 -1.819 0.283 7.137 290 HD12 LEU 44 HD12 LEU 44 -3.305 0.052 8.058 291 HD13 LEU 44 HD13 LEU 44 -1.752 -0.395 8.764 292 HD21 LEU 44 HD21 LEU 44 -4.095 -1.011 6.103 293 HD22 LEU 44 HD22 LEU 44 -2.657 -1.421 5.168 294 HD23 LEU 44 HD23 LEU 44 -3.691 -2.702 5.799 295 H ARG 45 H ARG 45 -0.987 -3.506 10.357 296 HA ARG 45 HA ARG 45 1.869 -3.123 10.848 297 HB2 ARG 45 HB2 ARG 45 0.043 -1.023 11.029 298 HB3 ARG 45 HB3 ARG 45 0.252 -1.556 12.691 299 HG2 ARG 45 HG2 ARG 45 2.822 -1.439 11.527 300 HG3 ARG 45 HG3 ARG 45 1.977 0.049 11.098 301 HD2 ARG 45 HD2 ARG 45 3.225 0.230 13.225 302 HD3 ARG 45 HD3 ARG 45 1.492 0.503 13.413 303 HE ARG 45 HE ARG 45 2.787 -2.072 14.075 304 HH11 ARG 45 HH12 ARG 45 0.606 0.570 14.863 305 HH12 ARG 45 HH11 ARG 45 -0.026 -0.214 16.283 306 HH21 ARG 45 HH22 ARG 45 1.954 -3.095 15.940 307 HH22 ARG 45 HH21 ARG 45 0.746 -2.289 16.901 308 H VAL 46 H VAL 46 1.798 -5.322 11.485 309 HA VAL 46 HA VAL 46 0.555 -5.721 14.122 310 HB VAL 46 HB VAL 46 0.602 -8.262 13.188 311 HG11 VAL 46 HG11 VAL 46 -1.309 -6.311 13.867 312 HG12 VAL 46 HG12 VAL 46 -1.894 -7.117 12.412 313 HG13 VAL 46 HG13 VAL 46 -1.500 -8.064 13.847 314 HG21 VAL 46 HG21 VAL 46 -0.682 -7.094 10.838 315 HG22 VAL 46 HG22 VAL 46 1.067 -6.861 10.877 316 HG23 VAL 46 HG23 VAL 46 0.392 -8.487 10.970 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 7.494 17.705 -0.708 2 H2 GLY 1 H2 GLY 1 7.709 16.123 -0.137 3 H3 GLY 1 H3 GLY 1 6.153 16.697 -0.482 4 HA2 GLY 1 HA3 GLY 1 7.773 16.993 -2.767 5 HA3 GLY 1 HA2 GLY 1 7.876 15.339 -2.181 6 H SER 2 H SER 2 6.814 15.183 -4.429 7 HA SER 2 HA SER 2 4.067 15.913 -4.649 8 HB2 SER 2 HB2 SER 2 5.327 13.760 -6.319 9 HB3 SER 2 HB3 SER 2 4.160 14.996 -6.789 10 HG SER 2 HG SER 2 5.737 16.504 -6.851 11 H MET 3 H MET 3 5.778 12.965 -3.758 12 HA MET 3 HA MET 3 5.114 10.992 -2.860 13 HB2 MET 3 HB2 MET 3 3.690 12.983 -1.527 14 HB3 MET 3 HB3 MET 3 2.479 11.772 -1.922 15 HG2 MET 3 HG2 MET 3 4.982 10.719 -0.805 16 HG3 MET 3 HG3 MET 3 4.034 11.732 0.283 17 HE1 MET 3 HE1 MET 3 3.314 8.375 -2.185 18 HE2 MET 3 HE2 MET 3 4.777 8.629 -1.233 19 HE3 MET 3 HE3 MET 3 3.563 7.471 -0.690 20 H ALA 4 H ALA 4 4.545 11.414 -5.576 21 HA ALA 4 HA ALA 4 2.837 9.260 -6.161 22 HB1 ALA 4 HB1 ALA 4 1.283 11.157 -7.483 23 HB2 ALA 4 HB2 ALA 4 0.809 10.184 -6.090 24 HB3 ALA 4 HB3 ALA 4 1.481 11.796 -5.850 25 H ALA 5 H ALA 5 5.141 11.439 -6.941 26 HA ALA 5 HA ALA 5 4.743 11.568 -9.795 27 HB1 ALA 5 HB1 ALA 5 6.180 13.043 -7.905 28 HB2 ALA 5 HB2 ALA 5 7.392 12.304 -8.953 29 HB3 ALA 5 HB3 ALA 5 6.117 13.305 -9.649 30 H HIS 6 H HIS 6 7.228 11.235 -10.861 31 HA HIS 6 HA HIS 6 7.496 8.355 -10.881 32 HB2 HIS 6 HB2 HIS 6 7.726 10.091 -12.870 33 HB3 HIS 6 HB3 HIS 6 9.402 10.147 -12.334 34 HD1 HIS 6 HD1 HIS 6 10.488 8.905 -14.225 35 HD2 HIS 6 HD2 HIS 6 7.295 6.828 -12.559 36 HE1 HIS 6 HE1 HIS 6 10.534 6.625 -15.290 37 HE2 HIS 6 HE2 HIS 6 8.504 5.434 -14.376 38 H SER 7 H SER 7 8.059 8.923 -8.428 39 HA SER 7 HA SER 7 10.981 9.116 -8.179 40 HB2 SER 7 HB2 SER 7 9.329 9.327 -5.742 41 HB3 SER 7 HB3 SER 7 10.669 10.337 -6.287 42 HG SER 7 HG SER 7 9.223 11.337 -7.760 43 H ALA 8 H ALA 8 11.208 8.027 -5.599 44 HA ALA 8 HA ALA 8 10.795 5.189 -6.206 45 HB1 ALA 8 HB1 ALA 8 12.476 6.518 -4.081 46 HB2 ALA 8 HB2 ALA 8 12.403 4.785 -4.399 47 HB3 ALA 8 HB3 ALA 8 13.057 5.879 -5.619 48 H ASP 9 H ASP 9 9.219 7.598 -4.678 49 HA ASP 9 HA ASP 9 7.779 5.717 -2.940 50 HB2 ASP 9 HB2 ASP 9 9.455 7.398 -1.762 51 HB3 ASP 9 HB3 ASP 9 8.148 8.546 -2.028 52 H LEU 10 H LEU 10 6.784 5.989 -5.231 53 HA LEU 10 HA LEU 10 4.936 8.252 -5.378 54 HB2 LEU 10 HB2 LEU 10 4.250 7.273 -7.517 55 HB3 LEU 10 HB3 LEU 10 5.984 7.522 -7.456 56 HG LEU 10 HG LEU 10 5.608 4.898 -6.568 57 HD11 LEU 10 HD11 LEU 10 4.423 4.160 -8.839 58 HD12 LEU 10 HD12 LEU 10 3.528 4.428 -7.342 59 HD13 LEU 10 HD13 LEU 10 3.582 5.688 -8.576 60 HD21 LEU 10 HD21 LEU 10 7.171 6.256 -8.352 61 HD22 LEU 10 HD22 LEU 10 7.191 4.510 -8.101 62 HD23 LEU 10 HD23 LEU 10 6.229 5.203 -9.407 63 H LYS 11 H LYS 11 5.177 5.054 -4.295 64 HA LYS 11 HA LYS 11 2.278 4.889 -3.923 65 HB2 LYS 11 HB2 LYS 11 2.461 2.484 -4.033 66 HB3 LYS 11 HB3 LYS 11 3.219 3.181 -5.451 67 HG2 LYS 11 HG2 LYS 11 5.346 2.604 -4.780 68 HG3 LYS 11 HG3 LYS 11 4.893 2.494 -3.078 69 HD2 LYS 11 HD2 LYS 11 3.302 0.592 -4.241 70 HD3 LYS 11 HD3 LYS 11 4.792 0.472 -5.180 71 HE2 LYS 11 HE2 LYS 11 5.127 -1.007 -3.411 72 HE3 LYS 11 HE3 LYS 11 5.982 0.452 -2.914 73 HZ1 LYS 11 HZ1 LYS 11 4.302 -0.808 -1.334 74 HZ2 LYS 11 HZ2 LYS 11 3.188 0.214 -2.097 75 HZ3 LYS 11 HZ3 LYS 11 4.511 0.870 -1.273 76 H CYS 12 H CYS 12 2.502 2.690 -2.136 77 HA CYS 12 HA CYS 12 2.824 4.233 0.252 78 HB2 CYS 12 HB2 CYS 12 1.824 2.065 1.213 79 HB3 CYS 12 HB3 CYS 12 0.843 3.000 0.092 80 HA PRO 13 HA PRO 13 6.487 2.410 1.953 81 HB2 PRO 13 HB2 PRO 13 5.792 1.597 4.453 82 HB3 PRO 13 HB3 PRO 13 5.961 3.298 4.007 83 HG2 PRO 13 HG2 PRO 13 3.476 1.643 4.201 84 HG3 PRO 13 HG3 PRO 13 3.779 3.284 4.808 85 HD2 PRO 13 HD2 PRO 13 2.451 2.850 2.513 86 HD3 PRO 13 HD3 PRO 13 3.542 4.235 2.715 87 H THR 14 H THR 14 3.637 0.340 2.353 88 HA THR 14 HA THR 14 4.865 -2.040 3.048 89 HB THR 14 HB THR 14 2.421 -1.791 1.293 90 HG1 THR 14 HG1 THR 14 1.359 -1.112 3.009 91 HG21 THR 14 HG21 THR 14 3.496 -4.068 1.699 92 HG22 THR 14 HG22 THR 14 1.787 -3.908 2.101 93 HG23 THR 14 HG23 THR 14 3.001 -3.874 3.381 94 HA PRO 15 HA PRO 15 7.311 -2.838 -0.583 95 HB2 PRO 15 HB2 PRO 15 7.648 -5.486 0.706 96 HB3 PRO 15 HB3 PRO 15 8.870 -4.322 0.186 97 HG2 PRO 15 HG2 PRO 15 8.336 -4.656 2.762 98 HG3 PRO 15 HG3 PRO 15 8.655 -3.039 2.104 99 HD2 PRO 15 HD2 PRO 15 6.035 -4.312 2.813 100 HD3 PRO 15 HD3 PRO 15 6.596 -2.652 3.108 101 H GLY 16 H GLY 16 5.161 -5.429 0.619 102 HA2 GLY 16 HA2 GLY 16 5.070 -6.704 -1.941 103 HA3 GLY 16 HA3 GLY 16 4.144 -7.157 -0.522 104 H CYS 17 H CYS 17 3.352 -4.146 -0.558 105 HA CYS 17 HA CYS 17 0.950 -4.546 -2.140 106 HB2 CYS 17 HB2 CYS 17 0.870 -3.642 0.175 107 HB3 CYS 17 HB3 CYS 17 1.776 -2.239 -0.369 108 H ASP 18 H ASP 18 0.271 -3.002 -3.739 109 HA ASP 18 HA ASP 18 2.585 -1.888 -5.157 110 HB2 ASP 18 HB2 ASP 18 1.562 -2.385 -7.146 111 HB3 ASP 18 HB3 ASP 18 0.830 -3.623 -6.130 112 H GLY 19 H GLY 19 -0.181 -0.938 -3.419 113 HA2 GLY 19 HA2 GLY 19 -0.419 1.321 -2.713 114 HA3 GLY 19 HA3 GLY 19 0.375 1.839 -4.191 115 H SER 20 H SER 20 -1.790 -0.438 -5.150 116 HA SER 20 HA SER 20 -3.828 1.622 -5.656 117 HB2 SER 20 HB2 SER 20 -3.661 -0.991 -7.140 118 HB3 SER 20 HB3 SER 20 -4.395 0.530 -7.652 119 HG SER 20 HG SER 20 -1.735 -0.301 -7.721 120 H GLY 21 H GLY 21 -6.036 1.071 -5.433 121 HA2 GLY 21 HA2 GLY 21 -7.847 -0.055 -4.529 122 HA3 GLY 21 HA3 GLY 21 -6.789 -1.410 -4.166 123 H HIS 22 H HIS 22 -8.191 -1.324 -2.218 124 HA HIS 22 HA HIS 22 -6.686 -0.148 -0.057 125 HB2 HIS 22 HB2 HIS 22 -9.377 0.864 -0.760 126 HB3 HIS 22 HB3 HIS 22 -9.152 0.443 0.930 127 HD1 HIS 22 HD1 HIS 22 -8.583 2.395 2.272 128 HD2 HIS 22 HD2 HIS 22 -7.007 2.704 -1.561 129 HE1 HIS 22 HE1 HIS 22 -7.405 4.605 2.204 130 HE2 HIS 22 HE2 HIS 22 -6.651 4.869 -0.180 131 H ILE 23 H ILE 23 -7.209 -1.120 1.988 132 HA ILE 23 HA ILE 23 -7.981 -3.855 1.787 133 HB ILE 23 HB ILE 23 -6.669 -2.237 3.701 134 HG12 ILE 23 HG12 ILE 23 -5.717 -4.288 3.144 135 HG13 ILE 23 HG13 ILE 23 -6.302 -4.550 4.781 136 HG21 ILE 23 HG21 ILE 23 -9.201 -2.440 4.631 137 HG22 ILE 23 HG22 ILE 23 -8.465 -3.877 5.340 138 HG23 ILE 23 HG23 ILE 23 -7.771 -2.285 5.652 139 HD11 ILE 23 HD11 ILE 23 -8.381 -5.276 3.009 140 HD12 ILE 23 HD12 ILE 23 -6.887 -6.012 2.428 141 HD13 ILE 23 HD13 ILE 23 -7.431 -6.309 4.077 142 H THR 24 H THR 24 -9.634 -0.902 2.340 143 HA THR 24 HA THR 24 -11.986 -2.084 3.510 144 HB THR 24 HB THR 24 -11.235 0.283 3.962 145 HG1 THR 24 HG1 THR 24 -13.587 -0.708 3.925 146 HG21 THR 24 HG21 THR 24 -12.635 1.313 1.615 147 HG22 THR 24 HG22 THR 24 -11.116 0.500 1.239 148 HG23 THR 24 HG23 THR 24 -11.136 1.851 2.371 149 H GLY 25 H GLY 25 -10.724 -1.890 0.392 150 HA2 GLY 25 HA2 GLY 25 -11.567 -2.360 -1.689 151 HA3 GLY 25 HA3 GLY 25 -12.852 -3.198 -0.832 152 H ASN 26 H ASN 26 -12.192 0.238 -0.597 153 HA ASN 26 HA ASN 26 -14.757 0.770 -1.943 154 HB2 ASN 26 HB2 ASN 26 -13.722 1.633 0.710 155 HB3 ASN 26 HB3 ASN 26 -14.656 2.805 -0.204 156 HD21 ASN 26 HD21 ASN 26 -14.870 0.570 2.108 157 HD22 ASN 26 HD22 ASN 26 -16.531 0.145 1.943 158 H TYR 27 H TYR 27 -11.521 1.259 -2.216 159 HA TYR 27 HA TYR 27 -11.888 3.923 -3.414 160 HB2 TYR 27 HB2 TYR 27 -9.619 2.842 -1.754 161 HB3 TYR 27 HB3 TYR 27 -9.435 4.251 -2.785 162 HD1 TYR 27 HD1 TYR 27 -11.288 2.921 0.138 163 HD2 TYR 27 HD2 TYR 27 -10.194 6.383 -2.086 164 HE1 TYR 27 HE1 TYR 27 -12.163 4.352 1.936 165 HE2 TYR 27 HE2 TYR 27 -11.069 7.817 -0.292 166 HH TYR 27 HH TYR 27 -12.974 6.588 2.286 167 H ALA 28 H ALA 28 -9.637 4.351 -4.706 168 HA ALA 28 HA ALA 28 -9.497 2.133 -6.638 169 HB1 ALA 28 HB1 ALA 28 -9.976 4.886 -6.985 170 HB2 ALA 28 HB2 ALA 28 -8.381 4.557 -7.664 171 HB3 ALA 28 HB3 ALA 28 -9.784 3.652 -8.231 172 H SER 29 H SER 29 -7.571 4.393 -4.730 173 HA SER 29 HA SER 29 -5.330 2.614 -4.749 174 HB2 SER 29 HB2 SER 29 -4.024 4.889 -5.664 175 HB3 SER 29 HB3 SER 29 -4.298 3.410 -6.581 176 HG SER 29 HG SER 29 -5.372 4.676 -7.867 177 H HIS 30 H HIS 30 -3.376 3.744 -3.673 178 HA HIS 30 HA HIS 30 -4.084 5.911 -1.884 179 HB2 HIS 30 HB2 HIS 30 -3.351 4.640 0.123 180 HB3 HIS 30 HB3 HIS 30 -4.837 4.016 -0.579 181 HD1 HIS 30 HD1 HIS 30 -4.622 1.676 -1.873 182 HD2 HIS 30 HD2 HIS 30 -1.265 2.898 0.269 183 HE1 HIS 30 HE1 HIS 30 -3.111 -0.350 -1.676 184 H ARG 31 H ARG 31 -1.859 5.748 -0.179 185 HA ARG 31 HA ARG 31 0.504 5.340 -1.779 186 HB2 ARG 31 HB2 ARG 31 1.292 7.686 -1.602 187 HB3 ARG 31 HB3 ARG 31 -0.114 7.506 -2.640 188 HG2 ARG 31 HG2 ARG 31 -1.221 8.040 -0.180 189 HG3 ARG 31 HG3 ARG 31 0.226 9.051 -0.207 190 HD2 ARG 31 HD2 ARG 31 -1.690 8.968 -2.515 191 HD3 ARG 31 HD3 ARG 31 -1.944 10.042 -1.141 192 HE ARG 31 HE ARG 31 0.514 10.127 -2.779 193 HH11 ARG 31 HH12 ARG 31 -2.140 11.719 -1.133 194 HH12 ARG 31 HH11 ARG 31 -1.630 13.317 -1.594 195 HH21 ARG 31 HH22 ARG 31 1.194 12.222 -3.364 196 HH22 ARG 31 HH21 ARG 31 0.270 13.603 -2.859 197 H SER 32 H SER 32 -0.939 4.973 0.991 198 HA SER 32 HA SER 32 1.538 4.906 2.482 199 HB2 SER 32 HB2 SER 32 -0.336 6.019 4.302 200 HB3 SER 32 HB3 SER 32 1.162 6.743 3.719 201 HG SER 32 HG SER 32 -1.269 6.861 2.262 202 H LEU 33 H LEU 33 0.976 3.947 4.791 203 HA LEU 33 HA LEU 33 -0.383 1.486 4.286 204 HB2 LEU 33 HB2 LEU 33 1.403 2.593 6.285 205 HB3 LEU 33 HB3 LEU 33 0.126 1.642 7.019 206 HG LEU 33 HG LEU 33 1.742 0.549 4.752 207 HD11 LEU 33 HD11 LEU 33 3.434 1.158 6.280 208 HD12 LEU 33 HD12 LEU 33 2.470 0.647 7.667 209 HD13 LEU 33 HD13 LEU 33 3.125 -0.557 6.557 210 HD21 LEU 33 HD21 LEU 33 0.754 -1.421 5.240 211 HD22 LEU 33 HD22 LEU 33 0.785 -1.123 6.980 212 HD23 LEU 33 HD23 LEU 33 -0.473 -0.393 5.982 213 H SER 34 H SER 34 -2.092 3.793 4.175 214 HA SER 34 HA SER 34 -3.761 3.680 6.547 215 HB2 SER 34 HB2 SER 34 -4.916 5.108 4.328 216 HB3 SER 34 HB3 SER 34 -4.352 5.738 5.878 217 HG SER 34 HG SER 34 -2.341 6.035 5.043 218 H GLY 35 H GLY 35 -3.636 2.430 3.303 219 HA2 GLY 35 HA2 GLY 35 -5.978 0.784 3.858 220 HA3 GLY 35 HA3 GLY 35 -6.085 1.871 2.486 221 H CYS 36 H CYS 36 -3.260 0.060 3.580 222 HA CYS 36 HA CYS 36 -2.705 -0.938 0.977 223 HB2 CYS 36 HB2 CYS 36 -1.603 -1.432 3.724 224 HB3 CYS 36 HB3 CYS 36 -1.123 -2.476 2.388 225 HA PRO 37 HA PRO 37 -5.581 -4.405 1.426 226 HB2 PRO 37 HB2 PRO 37 -5.558 -5.157 -1.160 227 HB3 PRO 37 HB3 PRO 37 -6.471 -3.751 -0.603 228 HG2 PRO 37 HG2 PRO 37 -3.820 -3.865 -1.975 229 HG3 PRO 37 HG3 PRO 37 -5.163 -2.732 -2.222 230 HD2 PRO 37 HD2 PRO 37 -2.930 -2.162 -0.730 231 HD3 PRO 37 HD3 PRO 37 -4.511 -1.397 -0.487 232 H ARG 38 H ARG 38 -2.319 -4.252 0.462 233 HA ARG 38 HA ARG 38 -2.025 -7.161 0.841 234 HB2 ARG 38 HB2 ARG 38 -0.561 -5.290 -1.009 235 HB3 ARG 38 HB3 ARG 38 0.134 -6.830 -0.526 236 HG2 ARG 38 HG2 ARG 38 -1.250 -8.019 -1.841 237 HG3 ARG 38 HG3 ARG 38 -2.620 -6.942 -1.553 238 HD2 ARG 38 HD2 ARG 38 -1.022 -5.297 -2.961 239 HD3 ARG 38 HD3 ARG 38 -0.537 -6.849 -3.641 240 HE ARG 38 HE ARG 38 -3.379 -6.554 -3.529 241 HH11 ARG 38 HH12 ARG 38 -0.523 -5.750 -5.404 242 HH12 ARG 38 HH11 ARG 38 -1.404 -5.551 -6.893 243 HH21 ARG 38 HH22 ARG 38 -4.528 -6.330 -5.476 244 HH22 ARG 38 HH21 ARG 38 -3.691 -5.906 -6.941 245 H ALA 39 H ALA 39 -2.067 -5.105 2.852 246 HA ALA 39 HA ALA 39 0.477 -4.249 3.635 247 HB1 ALA 39 HB1 ALA 39 -1.909 -4.809 5.393 248 HB2 ALA 39 HB2 ALA 39 -0.509 -3.821 5.814 249 HB3 ALA 39 HB3 ALA 39 -1.599 -3.304 4.528 250 H LYS 40 H LYS 40 2.125 -5.536 3.958 251 HA LYS 40 HA LYS 40 3.489 -7.131 4.797 252 HB2 LYS 40 HB2 LYS 40 1.238 -7.289 6.771 253 HB3 LYS 40 HB3 LYS 40 2.542 -8.468 6.825 254 HG2 LYS 40 HG2 LYS 40 3.919 -7.030 7.809 255 HG3 LYS 40 HG3 LYS 40 3.550 -5.762 6.639 256 HD2 LYS 40 HD2 LYS 40 1.308 -5.598 7.986 257 HD3 LYS 40 HD3 LYS 40 2.255 -6.372 9.257 258 HE2 LYS 40 HE2 LYS 40 2.856 -4.281 9.797 259 HE3 LYS 40 HE3 LYS 40 3.954 -4.418 8.426 260 HZ1 LYS 40 HZ1 LYS 40 1.203 -3.507 7.955 261 HZ2 LYS 40 HZ2 LYS 40 2.626 -3.126 7.109 262 HZ3 LYS 40 HZ3 LYS 40 2.318 -2.415 8.619 263 H LYS 41 H LYS 41 3.699 -9.533 5.090 264 HA LYS 41 HA LYS 41 2.020 -10.864 3.096 265 HB2 LYS 41 HB2 LYS 41 4.695 -10.830 3.299 266 HB3 LYS 41 HB3 LYS 41 4.366 -12.227 4.312 267 HG2 LYS 41 HG2 LYS 41 3.957 -13.518 2.556 268 HG3 LYS 41 HG3 LYS 41 2.886 -12.321 1.826 269 HD2 LYS 41 HD2 LYS 41 5.058 -11.075 1.222 270 HD3 LYS 41 HD3 LYS 41 5.853 -12.618 1.540 271 HE2 LYS 41 HE2 LYS 41 3.627 -12.147 -0.437 272 HE3 LYS 41 HE3 LYS 41 5.332 -12.361 -0.833 273 HZ1 LYS 41 HZ1 LYS 41 3.359 -14.343 0.042 274 HZ2 LYS 41 HZ2 LYS 41 4.982 -14.576 0.499 275 HZ3 LYS 41 HZ3 LYS 41 4.568 -14.467 -1.140 276 H SER 42 H SER 42 1.776 -13.333 3.641 277 HA SER 42 HA SER 42 0.039 -13.646 5.782 278 HB2 SER 42 HB2 SER 42 1.498 -16.075 5.018 279 HB3 SER 42 HB3 SER 42 -0.226 -15.714 4.907 280 HG SER 42 HG SER 42 0.026 -14.960 2.921 281 H GLY 43 H GLY 43 0.338 -13.863 7.905 282 HA2 GLY 43 HA2 GLY 43 1.428 -14.636 9.863 283 HA3 GLY 43 HA3 GLY 43 2.882 -14.921 8.917 284 H LEU 44 H LEU 44 0.890 -12.021 9.039 285 HA LEU 44 HA LEU 44 3.161 -10.335 9.334 286 HB2 LEU 44 HB2 LEU 44 1.149 -8.676 9.950 287 HB3 LEU 44 HB3 LEU 44 1.570 -9.113 8.306 288 HG LEU 44 HG LEU 44 -0.240 -11.080 9.115 289 HD11 LEU 44 HD11 LEU 44 -2.059 -10.052 10.124 290 HD12 LEU 44 HD12 LEU 44 -0.684 -9.400 11.016 291 HD13 LEU 44 HD13 LEU 44 -1.465 -8.430 9.768 292 HD21 LEU 44 HD21 LEU 44 -0.335 -8.680 7.342 293 HD22 LEU 44 HD22 LEU 44 -0.330 -10.391 6.915 294 HD23 LEU 44 HD23 LEU 44 -1.785 -9.654 7.587 295 H ARG 45 H ARG 45 0.870 -11.759 11.560 296 HA ARG 45 HA ARG 45 2.531 -10.938 13.788 297 HB2 ARG 45 HB2 ARG 45 0.320 -9.356 13.107 298 HB3 ARG 45 HB3 ARG 45 -0.221 -10.336 14.463 299 HG2 ARG 45 HG2 ARG 45 0.858 -9.021 15.871 300 HG3 ARG 45 HG3 ARG 45 2.382 -9.352 15.043 301 HD2 ARG 45 HD2 ARG 45 0.413 -7.328 14.017 302 HD3 ARG 45 HD3 ARG 45 1.644 -6.918 15.211 303 HE ARG 45 HE ARG 45 2.526 -8.169 12.719 304 HH11 ARG 45 HH12 ARG 45 2.258 -5.302 14.710 305 HH12 ARG 45 HH11 ARG 45 3.423 -4.398 13.787 306 HH21 ARG 45 HH22 ARG 45 4.045 -6.973 11.481 307 HH22 ARG 45 HH21 ARG 45 4.437 -5.343 11.960 308 H VAL 46 H VAL 46 2.516 -13.408 13.221 309 HA VAL 46 HA VAL 46 0.255 -14.911 14.119 310 HB VAL 46 HB VAL 46 2.876 -16.263 14.218 311 HG11 VAL 46 HG11 VAL 46 1.687 -18.060 13.489 312 HG12 VAL 46 HG12 VAL 46 0.366 -17.123 14.185 313 HG13 VAL 46 HG13 VAL 46 0.646 -17.092 12.445 314 HG21 VAL 46 HG21 VAL 46 1.969 -14.799 11.787 315 HG22 VAL 46 HG22 VAL 46 3.601 -15.089 12.388 316 HG23 VAL 46 HG23 VAL 46 2.711 -16.388 11.593 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 16.541 8.360 -1.765 2 H2 GLY 1 H2 GLY 1 15.389 7.163 -1.433 3 H3 GLY 1 H3 GLY 1 14.906 8.633 -2.124 4 HA2 GLY 1 HA3 GLY 1 16.859 6.932 -3.515 5 HA3 GLY 1 HA2 GLY 1 15.145 6.553 -3.611 6 H SER 2 H SER 2 13.753 7.944 -4.698 7 HA SER 2 HA SER 2 15.131 9.791 -6.521 8 HB2 SER 2 HB2 SER 2 12.388 8.653 -7.002 9 HB3 SER 2 HB3 SER 2 13.563 9.248 -8.178 10 HG SER 2 HG SER 2 13.780 7.109 -8.340 11 H MET 3 H MET 3 13.547 11.516 -7.416 12 HA MET 3 HA MET 3 12.540 12.991 -5.126 13 HB2 MET 3 HB2 MET 3 13.897 13.813 -7.284 14 HB3 MET 3 HB3 MET 3 12.263 14.048 -7.887 15 HG2 MET 3 HG2 MET 3 11.747 15.555 -6.123 16 HG3 MET 3 HG3 MET 3 13.252 15.177 -5.285 17 HE1 MET 3 HE1 MET 3 14.004 18.754 -6.121 18 HE2 MET 3 HE2 MET 3 12.284 18.467 -6.390 19 HE3 MET 3 HE3 MET 3 13.112 17.673 -5.049 20 H ALA 4 H ALA 4 10.678 11.968 -4.521 21 HA ALA 4 HA ALA 4 8.389 12.357 -6.292 22 HB1 ALA 4 HB1 ALA 4 8.190 10.189 -6.754 23 HB2 ALA 4 HB2 ALA 4 9.539 9.791 -5.687 24 HB3 ALA 4 HB3 ALA 4 7.901 9.894 -5.039 25 H ALA 5 H ALA 5 8.021 14.098 -4.798 26 HA ALA 5 HA ALA 5 7.464 13.388 -2.032 27 HB1 ALA 5 HB1 ALA 5 7.874 15.914 -3.531 28 HB2 ALA 5 HB2 ALA 5 6.924 15.975 -2.046 29 HB3 ALA 5 HB3 ALA 5 8.578 15.366 -2.009 30 H HIS 6 H HIS 6 5.731 13.548 -4.900 31 HA HIS 6 HA HIS 6 3.224 13.841 -3.381 32 HB2 HIS 6 HB2 HIS 6 2.287 14.426 -5.796 33 HB3 HIS 6 HB3 HIS 6 2.936 15.664 -4.734 34 HD1 HIS 6 HD1 HIS 6 3.287 14.246 -8.069 35 HD2 HIS 6 HD2 HIS 6 5.667 16.433 -5.449 36 HE1 HIS 6 HE1 HIS 6 5.124 15.225 -9.477 37 HE2 HIS 6 HE2 HIS 6 6.417 16.710 -7.907 38 H SER 7 H SER 7 1.439 12.963 -5.264 39 HA SER 7 HA SER 7 1.590 10.203 -4.940 40 HB2 SER 7 HB2 SER 7 -0.109 10.951 -7.164 41 HB3 SER 7 HB3 SER 7 -0.557 10.338 -5.572 42 HG SER 7 HG SER 7 -1.375 12.454 -5.969 43 H ALA 8 H ALA 8 3.351 9.194 -5.763 44 HA ALA 8 HA ALA 8 3.546 9.053 -8.691 45 HB1 ALA 8 HB1 ALA 8 5.274 10.625 -7.879 46 HB2 ALA 8 HB2 ALA 8 5.924 9.344 -6.858 47 HB3 ALA 8 HB3 ALA 8 5.963 9.177 -8.613 48 H ASP 9 H ASP 9 4.966 7.142 -9.333 49 HA ASP 9 HA ASP 9 4.068 4.844 -7.819 50 HB2 ASP 9 HB2 ASP 9 4.239 5.105 -10.409 51 HB3 ASP 9 HB3 ASP 9 5.929 4.680 -10.171 52 H LEU 10 H LEU 10 5.650 6.169 -6.160 53 HA LEU 10 HA LEU 10 8.291 4.905 -6.211 54 HB2 LEU 10 HB2 LEU 10 8.933 6.392 -4.502 55 HB3 LEU 10 HB3 LEU 10 7.965 7.357 -5.600 56 HG LEU 10 HG LEU 10 6.440 6.160 -3.391 57 HD11 LEU 10 HD11 LEU 10 8.915 7.070 -2.669 58 HD12 LEU 10 HD12 LEU 10 7.907 8.503 -2.461 59 HD13 LEU 10 HD13 LEU 10 7.500 7.008 -1.619 60 HD21 LEU 10 HD21 LEU 10 5.397 7.742 -4.839 61 HD22 LEU 10 HD22 LEU 10 5.617 8.514 -3.268 62 HD23 LEU 10 HD23 LEU 10 6.703 8.904 -4.601 63 H LYS 11 H LYS 11 5.305 4.077 -5.468 64 HA LYS 11 HA LYS 11 4.346 2.393 -4.342 65 HB2 LYS 11 HB2 LYS 11 7.189 1.804 -3.550 66 HB3 LYS 11 HB3 LYS 11 5.831 0.837 -2.989 67 HG2 LYS 11 HG2 LYS 11 6.551 1.302 -5.873 68 HG3 LYS 11 HG3 LYS 11 6.948 -0.139 -4.939 69 HD2 LYS 11 HD2 LYS 11 4.686 -0.768 -4.750 70 HD3 LYS 11 HD3 LYS 11 4.119 0.827 -5.252 71 HE2 LYS 11 HE2 LYS 11 5.755 -0.137 -7.331 72 HE3 LYS 11 HE3 LYS 11 4.712 -1.477 -6.855 73 HZ1 LYS 11 HZ1 LYS 11 2.910 0.422 -6.949 74 HZ2 LYS 11 HZ2 LYS 11 3.359 -0.445 -8.331 75 HZ3 LYS 11 HZ3 LYS 11 4.009 1.100 -8.051 76 H CYS 12 H CYS 12 3.312 2.107 -2.453 77 HA CYS 12 HA CYS 12 3.518 4.199 -0.507 78 HB2 CYS 12 HB2 CYS 12 1.795 2.377 0.550 79 HB3 CYS 12 HB3 CYS 12 1.337 3.574 -0.656 80 HA PRO 13 HA PRO 13 5.997 2.577 2.734 81 HB2 PRO 13 HB2 PRO 13 3.610 1.853 4.379 82 HB3 PRO 13 HB3 PRO 13 5.055 2.761 4.832 83 HG2 PRO 13 HG2 PRO 13 2.792 4.042 4.343 84 HG3 PRO 13 HG3 PRO 13 4.334 4.698 3.759 85 HD2 PRO 13 HD2 PRO 13 2.176 3.301 2.250 86 HD3 PRO 13 HD3 PRO 13 3.237 4.629 1.738 87 H THR 14 H THR 14 3.319 0.466 1.873 88 HA THR 14 HA THR 14 4.574 -1.888 2.985 89 HB THR 14 HB THR 14 2.182 -1.717 1.156 90 HG1 THR 14 HG1 THR 14 1.231 -0.945 2.874 91 HG21 THR 14 HG21 THR 14 2.849 -3.914 3.094 92 HG22 THR 14 HG22 THR 14 3.449 -3.937 1.437 93 HG23 THR 14 HG23 THR 14 1.713 -3.940 1.747 94 HA PRO 15 HA PRO 15 7.218 -2.468 -0.523 95 HB2 PRO 15 HB2 PRO 15 7.680 -5.104 0.744 96 HB3 PRO 15 HB3 PRO 15 8.839 -3.839 0.326 97 HG2 PRO 15 HG2 PRO 15 8.183 -4.277 2.854 98 HG3 PRO 15 HG3 PRO 15 8.412 -2.625 2.250 99 HD2 PRO 15 HD2 PRO 15 5.859 -4.121 2.742 100 HD3 PRO 15 HD3 PRO 15 6.272 -2.443 3.151 101 H GLY 16 H GLY 16 5.164 -5.183 0.580 102 HA2 GLY 16 HA2 GLY 16 5.231 -6.410 -2.016 103 HA3 GLY 16 HA3 GLY 16 4.318 -6.962 -0.625 104 H CYS 17 H CYS 17 3.673 -3.742 -1.122 105 HA CYS 17 HA CYS 17 1.042 -4.355 -2.152 106 HB2 CYS 17 HB2 CYS 17 1.672 -2.768 -0.231 107 HB3 CYS 17 HB3 CYS 17 2.120 -1.633 -1.496 108 H ASP 18 H ASP 18 0.201 -2.376 -3.638 109 HA ASP 18 HA ASP 18 2.114 -2.094 -5.864 110 HB2 ASP 18 HB2 ASP 18 0.610 -2.770 -7.460 111 HB3 ASP 18 HB3 ASP 18 0.052 -3.750 -6.110 112 H GLY 19 H GLY 19 -0.336 -0.668 -3.872 113 HA2 GLY 19 HA2 GLY 19 -0.197 1.686 -3.428 114 HA3 GLY 19 HA3 GLY 19 0.324 1.925 -5.088 115 H SER 20 H SER 20 -2.062 -0.193 -5.476 116 HA SER 20 HA SER 20 -4.113 1.919 -5.626 117 HB2 SER 20 HB2 SER 20 -4.325 -0.464 -7.392 118 HB3 SER 20 HB3 SER 20 -4.767 1.215 -7.706 119 HG SER 20 HG SER 20 -2.230 -0.023 -7.843 120 H GLY 21 H GLY 21 -6.333 1.189 -5.384 121 HA2 GLY 21 HA2 GLY 21 -7.999 -0.148 -4.453 122 HA3 GLY 21 HA3 GLY 21 -6.814 -1.428 -4.252 123 H HIS 22 H HIS 22 -8.157 -1.516 -2.231 124 HA HIS 22 HA HIS 22 -6.624 -0.350 -0.063 125 HB2 HIS 22 HB2 HIS 22 -9.400 0.534 -0.704 126 HB3 HIS 22 HB3 HIS 22 -9.070 0.178 0.981 127 HD1 HIS 22 HD1 HIS 22 -8.354 2.113 2.300 128 HD2 HIS 22 HD2 HIS 22 -7.414 2.597 -1.723 129 HE1 HIS 22 HE1 HIS 22 -7.498 4.466 2.080 130 HE2 HIS 22 HE2 HIS 22 -7.028 4.772 -0.372 131 H ILE 23 H ILE 23 -7.352 -1.291 2.056 132 HA ILE 23 HA ILE 23 -8.099 -4.063 1.764 133 HB ILE 23 HB ILE 23 -6.868 -2.473 3.805 134 HG12 ILE 23 HG12 ILE 23 -5.864 -4.487 3.042 135 HG13 ILE 23 HG13 ILE 23 -6.320 -4.762 4.719 136 HG21 ILE 23 HG21 ILE 23 -7.949 -3.543 5.797 137 HG22 ILE 23 HG22 ILE 23 -8.915 -2.303 4.997 138 HG23 ILE 23 HG23 ILE 23 -9.281 -4.008 4.739 139 HD11 ILE 23 HD11 ILE 23 -8.518 -5.615 3.253 140 HD12 ILE 23 HD12 ILE 23 -7.117 -6.171 2.334 141 HD13 ILE 23 HD13 ILE 23 -7.296 -6.626 4.030 142 H THR 24 H THR 24 -9.613 -1.036 2.497 143 HA THR 24 HA THR 24 -12.061 -2.105 3.502 144 HB THR 24 HB THR 24 -11.280 0.223 3.964 145 HG1 THR 24 HG1 THR 24 -13.303 0.646 4.334 146 HG21 THR 24 HG21 THR 24 -10.446 0.867 1.805 147 HG22 THR 24 HG22 THR 24 -11.762 1.953 2.252 148 HG23 THR 24 HG23 THR 24 -12.040 0.665 1.081 149 H GLY 25 H GLY 25 -10.706 -1.706 0.367 150 HA2 GLY 25 HA2 GLY 25 -11.489 -2.215 -1.729 151 HA3 GLY 25 HA3 GLY 25 -12.735 -3.152 -0.914 152 H ASN 26 H ASN 26 -12.182 0.311 -0.657 153 HA ASN 26 HA ASN 26 -14.797 0.779 -1.923 154 HB2 ASN 26 HB2 ASN 26 -13.757 1.592 0.758 155 HB3 ASN 26 HB3 ASN 26 -14.867 2.676 -0.071 156 HD21 ASN 26 HD21 ASN 26 -14.892 0.675 2.298 157 HD22 ASN 26 HD22 ASN 26 -16.404 -0.139 2.082 158 H TYR 27 H TYR 27 -11.636 1.352 -2.299 159 HA TYR 27 HA TYR 27 -12.090 4.052 -3.365 160 HB2 TYR 27 HB2 TYR 27 -9.735 3.035 -1.780 161 HB3 TYR 27 HB3 TYR 27 -9.668 4.487 -2.757 162 HD1 TYR 27 HD1 TYR 27 -11.366 2.937 0.149 163 HD2 TYR 27 HD2 TYR 27 -10.518 6.539 -1.957 164 HE1 TYR 27 HE1 TYR 27 -12.288 4.240 2.013 165 HE2 TYR 27 HE2 TYR 27 -11.438 7.850 -0.093 166 HH TYR 27 HH TYR 27 -13.101 7.483 1.782 167 H ALA 28 H ALA 28 -9.947 4.603 -4.722 168 HA ALA 28 HA ALA 28 -9.765 2.446 -6.704 169 HB1 ALA 28 HB1 ALA 28 -10.093 4.065 -8.183 170 HB2 ALA 28 HB2 ALA 28 -10.084 5.272 -6.898 171 HB3 ALA 28 HB3 ALA 28 -8.575 4.813 -7.686 172 H SER 29 H SER 29 -7.794 4.700 -4.813 173 HA SER 29 HA SER 29 -5.586 2.835 -4.867 174 HB2 SER 29 HB2 SER 29 -4.386 5.312 -5.576 175 HB3 SER 29 HB3 SER 29 -4.358 3.796 -6.472 176 HG SER 29 HG SER 29 -5.306 5.181 -7.846 177 H HIS 30 H HIS 30 -3.623 3.958 -3.734 178 HA HIS 30 HA HIS 30 -4.337 5.908 -1.719 179 HB2 HIS 30 HB2 HIS 30 -3.828 4.448 0.160 180 HB3 HIS 30 HB3 HIS 30 -5.158 3.769 -0.760 181 HD1 HIS 30 HD1 HIS 30 -4.706 1.511 -2.012 182 HD2 HIS 30 HD2 HIS 30 -1.459 2.995 0.130 183 HE1 HIS 30 HE1 HIS 30 -2.932 -0.302 -2.033 184 H ARG 31 H ARG 31 -2.300 5.801 -0.040 185 HA ARG 31 HA ARG 31 0.143 4.928 -1.164 186 HB2 ARG 31 HB2 ARG 31 -0.523 7.363 -2.156 187 HB3 ARG 31 HB3 ARG 31 0.359 7.838 -0.711 188 HG2 ARG 31 HG2 ARG 31 1.774 7.700 -2.731 189 HG3 ARG 31 HG3 ARG 31 2.299 6.634 -1.425 190 HD2 ARG 31 HD2 ARG 31 2.159 4.879 -2.782 191 HD3 ARG 31 HD3 ARG 31 0.449 5.209 -3.044 192 HE ARG 31 HE ARG 31 2.604 6.377 -4.682 193 HH11 ARG 31 HH12 ARG 31 -0.628 5.051 -4.320 194 HH12 ARG 31 HH11 ARG 31 -0.975 5.134 -6.023 195 HH21 ARG 31 HH22 ARG 31 2.124 6.468 -6.918 196 HH22 ARG 31 HH21 ARG 31 0.571 5.933 -7.487 197 H SER 32 H SER 32 -1.293 4.452 1.123 198 HA SER 32 HA SER 32 0.676 5.080 3.143 199 HB2 SER 32 HB2 SER 32 -1.785 5.523 4.453 200 HB3 SER 32 HB3 SER 32 -0.519 6.707 4.135 201 HG SER 32 HG SER 32 -2.918 6.806 3.209 202 H LEU 33 H LEU 33 0.165 3.820 5.192 203 HA LEU 33 HA LEU 33 -0.533 1.141 4.461 204 HB2 LEU 33 HB2 LEU 33 -0.020 2.274 7.209 205 HB3 LEU 33 HB3 LEU 33 -0.010 0.577 6.768 206 HG LEU 33 HG LEU 33 1.861 2.140 5.180 207 HD11 LEU 33 HD11 LEU 33 3.312 2.907 6.782 208 HD12 LEU 33 HD12 LEU 33 1.756 3.274 7.526 209 HD13 LEU 33 HD13 LEU 33 2.663 1.849 8.036 210 HD21 LEU 33 HD21 LEU 33 1.557 -0.434 5.704 211 HD22 LEU 33 HD22 LEU 33 3.140 0.267 5.365 212 HD23 LEU 33 HD23 LEU 33 2.651 -0.039 7.032 213 H SER 34 H SER 34 -2.316 3.787 5.323 214 HA SER 34 HA SER 34 -4.451 2.445 6.719 215 HB2 SER 34 HB2 SER 34 -5.212 4.929 5.461 216 HB3 SER 34 HB3 SER 34 -5.061 4.560 7.180 217 HG SER 34 HG SER 34 -3.633 6.247 6.454 218 H GLY 35 H GLY 35 -3.329 2.519 3.587 219 HA2 GLY 35 HA2 GLY 35 -5.994 1.811 2.541 220 HA3 GLY 35 HA3 GLY 35 -4.821 2.716 1.598 221 H CYS 36 H CYS 36 -2.678 0.961 2.866 222 HA CYS 36 HA CYS 36 -2.284 -0.751 0.727 223 HB2 CYS 36 HB2 CYS 36 -1.146 -0.632 3.506 224 HB3 CYS 36 HB3 CYS 36 -0.657 -1.907 2.385 225 HA PRO 37 HA PRO 37 -5.097 -4.035 2.047 226 HB2 PRO 37 HB2 PRO 37 -5.331 -5.205 -0.361 227 HB3 PRO 37 HB3 PRO 37 -6.178 -3.702 0.030 228 HG2 PRO 37 HG2 PRO 37 -3.656 -4.111 -1.530 229 HG3 PRO 37 HG3 PRO 37 -5.021 -3.027 -1.866 230 HD2 PRO 37 HD2 PRO 37 -2.682 -2.209 -0.701 231 HD3 PRO 37 HD3 PRO 37 -4.242 -1.410 -0.452 232 H ARG 38 H ARG 38 -1.907 -4.113 0.786 233 HA ARG 38 HA ARG 38 -1.707 -6.999 1.339 234 HB2 ARG 38 HB2 ARG 38 -0.387 -5.243 -0.664 235 HB3 ARG 38 HB3 ARG 38 0.570 -6.551 0.018 236 HG2 ARG 38 HG2 ARG 38 -0.494 -8.073 -1.194 237 HG3 ARG 38 HG3 ARG 38 -2.080 -7.388 -0.820 238 HD2 ARG 38 HD2 ARG 38 -0.585 -5.622 -2.516 239 HD3 ARG 38 HD3 ARG 38 -0.683 -7.222 -3.233 240 HE ARG 38 HE ARG 38 -3.214 -6.874 -2.608 241 HH11 ARG 38 HH12 ARG 38 -0.947 -4.589 -3.958 242 HH12 ARG 38 HH11 ARG 38 -2.158 -3.654 -4.785 243 HH21 ARG 38 HH22 ARG 38 -4.829 -5.661 -3.681 244 HH22 ARG 38 HH21 ARG 38 -4.366 -4.296 -4.661 245 H ALA 39 H ALA 39 -1.590 -4.868 3.323 246 HA ALA 39 HA ALA 39 0.962 -4.193 4.164 247 HB1 ALA 39 HB1 ALA 39 -1.104 -3.300 5.141 248 HB2 ALA 39 HB2 ALA 39 -1.409 -4.858 5.904 249 HB3 ALA 39 HB3 ALA 39 -0.001 -3.905 6.375 250 H LYS 40 H LYS 40 2.484 -5.157 5.498 251 HA LYS 40 HA LYS 40 2.609 -8.005 5.314 252 HB2 LYS 40 HB2 LYS 40 4.607 -7.391 7.090 253 HB3 LYS 40 HB3 LYS 40 4.779 -7.451 5.346 254 HG2 LYS 40 HG2 LYS 40 5.761 -5.437 5.952 255 HG3 LYS 40 HG3 LYS 40 4.162 -4.965 5.387 256 HD2 LYS 40 HD2 LYS 40 3.411 -4.480 7.517 257 HD3 LYS 40 HD3 LYS 40 4.587 -5.547 8.287 258 HE2 LYS 40 HE2 LYS 40 5.393 -3.423 8.780 259 HE3 LYS 40 HE3 LYS 40 6.346 -3.897 7.374 260 HZ1 LYS 40 HZ1 LYS 40 5.661 -2.023 6.433 261 HZ2 LYS 40 HZ2 LYS 40 4.542 -1.715 7.674 262 HZ3 LYS 40 HZ3 LYS 40 4.101 -2.684 6.353 263 H LYS 41 H LYS 41 2.206 -9.539 6.815 264 HA LYS 41 HA LYS 41 0.744 -8.649 9.183 265 HB2 LYS 41 HB2 LYS 41 0.727 -11.026 7.463 266 HB3 LYS 41 HB3 LYS 41 0.602 -11.394 9.178 267 HG2 LYS 41 HG2 LYS 41 -1.600 -11.214 8.431 268 HG3 LYS 41 HG3 LYS 41 -1.274 -9.686 9.249 269 HD2 LYS 41 HD2 LYS 41 -2.460 -9.279 7.164 270 HD3 LYS 41 HD3 LYS 41 -0.820 -8.632 7.071 271 HE2 LYS 41 HE2 LYS 41 -0.865 -9.700 5.071 272 HE3 LYS 41 HE3 LYS 41 -0.346 -11.054 6.074 273 HZ1 LYS 41 HZ1 LYS 41 -2.136 -11.686 4.589 274 HZ2 LYS 41 HZ2 LYS 41 -3.145 -10.487 5.236 275 HZ3 LYS 41 HZ3 LYS 41 -2.649 -11.789 6.199 276 H SER 42 H SER 42 2.583 -11.633 8.897 277 HA SER 42 HA SER 42 3.966 -10.946 11.391 278 HB2 SER 42 HB2 SER 42 4.193 -13.689 10.304 279 HB3 SER 42 HB3 SER 42 3.871 -13.150 11.953 280 HG SER 42 HG SER 42 1.728 -12.720 11.341 281 H GLY 43 H GLY 43 4.488 -12.076 8.099 282 HA2 GLY 43 HA2 GLY 43 7.380 -12.050 8.376 283 HA3 GLY 43 HA3 GLY 43 6.468 -12.392 6.912 284 H LEU 44 H LEU 44 6.940 -9.677 9.159 285 HA LEU 44 HA LEU 44 6.348 -7.654 7.331 286 HB2 LEU 44 HB2 LEU 44 8.361 -7.216 9.498 287 HB3 LEU 44 HB3 LEU 44 7.089 -6.148 8.938 288 HG LEU 44 HG LEU 44 5.924 -8.531 10.051 289 HD11 LEU 44 HD11 LEU 44 7.213 -7.102 12.256 290 HD12 LEU 44 HD12 LEU 44 6.911 -8.826 12.040 291 HD13 LEU 44 HD13 LEU 44 8.309 -8.072 11.272 292 HD21 LEU 44 HD21 LEU 44 5.606 -5.677 10.063 293 HD22 LEU 44 HD22 LEU 44 4.421 -6.939 10.395 294 HD23 LEU 44 HD23 LEU 44 5.438 -6.323 11.696 295 H ARG 45 H ARG 45 9.569 -8.643 8.481 296 HA ARG 45 HA ARG 45 10.595 -8.352 5.782 297 HB2 ARG 45 HB2 ARG 45 10.813 -6.148 7.279 298 HB3 ARG 45 HB3 ARG 45 12.228 -7.008 7.870 299 HG2 ARG 45 HG2 ARG 45 13.309 -6.109 6.152 300 HG3 ARG 45 HG3 ARG 45 12.444 -7.276 5.147 301 HD2 ARG 45 HD2 ARG 45 10.781 -5.695 4.582 302 HD3 ARG 45 HD3 ARG 45 11.304 -4.583 5.845 303 HE ARG 45 HE ARG 45 13.373 -4.280 4.508 304 HH11 ARG 45 HH12 ARG 45 10.469 -5.462 2.931 305 HH12 ARG 45 HH11 ARG 45 10.932 -4.866 1.361 306 HH21 ARG 45 HH22 ARG 45 13.955 -3.458 2.454 307 HH22 ARG 45 HH21 ARG 45 12.890 -3.701 1.096 308 H VAL 46 H VAL 46 10.500 -10.685 6.339 309 HA VAL 46 HA VAL 46 12.853 -11.513 7.909 310 HB VAL 46 HB VAL 46 10.615 -13.375 7.146 311 HG11 VAL 46 HG11 VAL 46 12.295 -13.531 9.613 312 HG12 VAL 46 HG12 VAL 46 11.510 -14.824 8.707 313 HG13 VAL 46 HG13 VAL 46 12.957 -14.050 8.064 314 HG21 VAL 46 HG21 VAL 46 9.398 -12.908 9.089 315 HG22 VAL 46 HG22 VAL 46 10.714 -11.978 9.802 316 HG23 VAL 46 HG23 VAL 46 9.803 -11.319 8.443 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 21.527 2.441 -17.178 2 H2 GLY 1 H2 GLY 1 22.266 1.105 -16.439 3 H3 GLY 1 H3 GLY 1 23.138 2.542 -16.658 4 HA2 GLY 1 HA3 GLY 1 22.609 2.757 -14.474 5 HA3 GLY 1 HA2 GLY 1 21.253 3.579 -15.232 6 H SER 2 H SER 2 21.934 1.601 -12.804 7 HA SER 2 HA SER 2 19.696 -0.242 -13.181 8 HB2 SER 2 HB2 SER 2 21.003 -0.350 -10.583 9 HB3 SER 2 HB3 SER 2 20.829 -1.615 -11.798 10 HG SER 2 HG SER 2 22.974 -0.031 -11.226 11 H MET 3 H MET 3 17.737 0.469 -12.647 12 HA MET 3 HA MET 3 17.411 2.677 -10.792 13 HB2 MET 3 HB2 MET 3 16.100 2.148 -13.028 14 HB3 MET 3 HB3 MET 3 15.100 1.180 -11.952 15 HG2 MET 3 HG2 MET 3 15.638 3.874 -10.968 16 HG3 MET 3 HG3 MET 3 14.749 3.823 -12.489 17 HE1 MET 3 HE1 MET 3 11.955 4.529 -11.480 18 HE2 MET 3 HE2 MET 3 12.202 4.648 -9.739 19 HE3 MET 3 HE3 MET 3 13.427 5.262 -10.847 20 H ALA 4 H ALA 4 15.971 2.586 -8.974 21 HA ALA 4 HA ALA 4 16.481 0.391 -7.286 22 HB1 ALA 4 HB1 ALA 4 16.008 2.005 -5.829 23 HB2 ALA 4 HB2 ALA 4 15.256 2.986 -7.086 24 HB3 ALA 4 HB3 ALA 4 14.301 1.788 -6.212 25 H ALA 5 H ALA 5 13.627 1.372 -9.102 26 HA ALA 5 HA ALA 5 11.704 0.333 -9.686 27 HB1 ALA 5 HB1 ALA 5 13.813 -1.702 -9.858 28 HB2 ALA 5 HB2 ALA 5 12.164 -2.326 -9.837 29 HB3 ALA 5 HB3 ALA 5 12.651 -1.158 -11.068 30 H HIS 6 H HIS 6 12.684 -2.509 -7.873 31 HA HIS 6 HA HIS 6 10.227 -2.608 -6.443 32 HB2 HIS 6 HB2 HIS 6 11.995 -4.488 -7.076 33 HB3 HIS 6 HB3 HIS 6 12.634 -4.095 -5.485 34 HD1 HIS 6 HD1 HIS 6 11.427 -5.017 -3.484 35 HD2 HIS 6 HD2 HIS 6 9.324 -5.565 -7.034 36 HE1 HIS 6 HE1 HIS 6 9.503 -6.537 -2.909 37 HE2 HIS 6 HE2 HIS 6 8.257 -6.890 -5.074 38 H SER 7 H SER 7 13.463 -1.476 -5.713 39 HA SER 7 HA SER 7 12.718 -0.816 -2.972 40 HB2 SER 7 HB2 SER 7 15.363 -0.002 -4.028 41 HB3 SER 7 HB3 SER 7 14.947 -0.787 -2.504 42 HG SER 7 HG SER 7 15.396 -2.626 -3.376 43 H ALA 8 H ALA 8 11.441 0.572 -5.183 44 HA ALA 8 HA ALA 8 12.543 3.278 -4.881 45 HB1 ALA 8 HB1 ALA 8 12.247 3.341 -7.086 46 HB2 ALA 8 HB2 ALA 8 11.286 1.862 -7.074 47 HB3 ALA 8 HB3 ALA 8 10.513 3.417 -6.759 48 H ASP 9 H ASP 9 11.216 4.991 -4.280 49 HA ASP 9 HA ASP 9 8.923 4.184 -2.635 50 HB2 ASP 9 HB2 ASP 9 10.886 5.551 -1.715 51 HB3 ASP 9 HB3 ASP 9 10.263 6.891 -2.670 52 H LEU 10 H LEU 10 8.369 4.125 -5.292 53 HA LEU 10 HA LEU 10 6.889 6.594 -5.862 54 HB2 LEU 10 HB2 LEU 10 6.643 4.353 -7.747 55 HB3 LEU 10 HB3 LEU 10 6.950 6.050 -8.058 56 HG LEU 10 HG LEU 10 9.152 4.383 -6.925 57 HD11 LEU 10 HD11 LEU 10 8.463 4.454 -9.855 58 HD12 LEU 10 HD12 LEU 10 9.821 3.622 -9.099 59 HD13 LEU 10 HD13 LEU 10 8.172 3.076 -8.793 60 HD21 LEU 10 HD21 LEU 10 8.804 6.981 -8.145 61 HD22 LEU 10 HD22 LEU 10 10.160 6.343 -7.215 62 HD23 LEU 10 HD23 LEU 10 10.061 6.042 -8.951 63 H LYS 11 H LYS 11 6.531 3.982 -4.067 64 HA LYS 11 HA LYS 11 3.640 3.824 -4.512 65 HB2 LYS 11 HB2 LYS 11 3.712 1.452 -3.918 66 HB3 LYS 11 HB3 LYS 11 4.765 1.767 -5.286 67 HG2 LYS 11 HG2 LYS 11 6.606 1.138 -4.179 68 HG3 LYS 11 HG3 LYS 11 6.105 1.937 -2.686 69 HD2 LYS 11 HD2 LYS 11 5.283 0.046 -1.836 70 HD3 LYS 11 HD3 LYS 11 4.451 -0.365 -3.336 71 HE2 LYS 11 HE2 LYS 11 6.201 -2.001 -2.597 72 HE3 LYS 11 HE3 LYS 11 6.400 -1.381 -4.235 73 HZ1 LYS 11 HZ1 LYS 11 7.840 -0.319 -1.865 74 HZ2 LYS 11 HZ2 LYS 11 8.106 0.092 -3.485 75 HZ3 LYS 11 HZ3 LYS 11 8.487 -1.462 -2.935 76 H CYS 12 H CYS 12 3.183 2.197 -2.253 77 HA CYS 12 HA CYS 12 3.345 4.201 -0.179 78 HB2 CYS 12 HB2 CYS 12 1.908 2.178 0.878 79 HB3 CYS 12 HB3 CYS 12 1.215 3.361 -0.229 80 HA PRO 13 HA PRO 13 6.322 2.362 2.501 81 HB2 PRO 13 HB2 PRO 13 4.294 1.588 4.526 82 HB3 PRO 13 HB3 PRO 13 5.720 2.609 4.696 83 HG2 PRO 13 HG2 PRO 13 3.307 3.695 4.634 84 HG3 PRO 13 HG3 PRO 13 4.666 4.468 3.794 85 HD2 PRO 13 HD2 PRO 13 2.433 2.827 2.669 86 HD3 PRO 13 HD3 PRO 13 3.182 4.304 2.030 87 H THR 14 H THR 14 3.498 0.333 2.024 88 HA THR 14 HA THR 14 4.648 -2.057 3.043 89 HB THR 14 HB THR 14 2.336 -1.728 1.126 90 HG1 THR 14 HG1 THR 14 1.254 -1.142 2.841 91 HG21 THR 14 HG21 THR 14 2.712 -3.975 0.946 92 HG22 THR 14 HG22 THR 14 1.766 -3.980 2.434 93 HG23 THR 14 HG23 THR 14 3.524 -4.075 2.508 94 HA PRO 15 HA PRO 15 7.421 -2.781 -0.369 95 HB2 PRO 15 HB2 PRO 15 7.730 -5.417 0.955 96 HB3 PRO 15 HB3 PRO 15 8.955 -4.211 0.550 97 HG2 PRO 15 HG2 PRO 15 8.207 -4.565 3.068 98 HG3 PRO 15 HG3 PRO 15 8.523 -2.937 2.436 99 HD2 PRO 15 HD2 PRO 15 5.895 -4.309 2.898 100 HD3 PRO 15 HD3 PRO 15 6.372 -2.636 3.265 101 H GLY 16 H GLY 16 5.036 -5.185 0.663 102 HA2 GLY 16 HA2 GLY 16 5.166 -6.538 -1.893 103 HA3 GLY 16 HA3 GLY 16 4.193 -7.017 -0.514 104 H CYS 17 H CYS 17 3.818 -3.754 -1.114 105 HA CYS 17 HA CYS 17 1.231 -4.249 -2.395 106 HB2 CYS 17 HB2 CYS 17 1.598 -2.997 -0.160 107 HB3 CYS 17 HB3 CYS 17 2.133 -1.664 -1.169 108 H ASP 18 H ASP 18 0.607 -1.969 -3.578 109 HA ASP 18 HA ASP 18 2.778 -1.279 -5.424 110 HB2 ASP 18 HB2 ASP 18 1.680 -1.965 -7.322 111 HB3 ASP 18 HB3 ASP 18 1.092 -3.165 -6.177 112 H GLY 19 H GLY 19 -0.109 -0.414 -3.753 113 HA2 GLY 19 HA2 GLY 19 -0.395 1.908 -3.151 114 HA3 GLY 19 HA3 GLY 19 0.208 2.343 -4.742 115 H SER 20 H SER 20 -1.727 -0.158 -5.433 116 HA SER 20 HA SER 20 -4.041 1.617 -5.840 117 HB2 SER 20 HB2 SER 20 -3.686 -0.988 -7.284 118 HB3 SER 20 HB3 SER 20 -4.516 0.477 -7.814 119 HG SER 20 HG SER 20 -1.782 -0.169 -7.857 120 H GLY 21 H GLY 21 -6.125 0.880 -5.395 121 HA2 GLY 21 HA2 GLY 21 -7.740 -0.593 -4.591 122 HA3 GLY 21 HA3 GLY 21 -6.471 -1.738 -4.192 123 H HIS 22 H HIS 22 -8.049 -1.818 -2.318 124 HA HIS 22 HA HIS 22 -6.810 -0.568 -0.056 125 HB2 HIS 22 HB2 HIS 22 -9.432 0.428 -1.019 126 HB3 HIS 22 HB3 HIS 22 -9.355 0.044 0.692 127 HD1 HIS 22 HD1 HIS 22 -8.335 1.729 2.202 128 HD2 HIS 22 HD2 HIS 22 -7.604 2.565 -1.809 129 HE1 HIS 22 HE1 HIS 22 -7.413 4.055 2.156 130 HE2 HIS 22 HE2 HIS 22 -7.092 4.599 -0.280 131 H ILE 23 H ILE 23 -7.508 -1.556 1.938 132 HA ILE 23 HA ILE 23 -8.351 -4.275 1.621 133 HB ILE 23 HB ILE 23 -7.157 -2.698 3.706 134 HG12 ILE 23 HG12 ILE 23 -6.038 -4.628 3.027 135 HG13 ILE 23 HG13 ILE 23 -6.716 -5.092 4.582 136 HG21 ILE 23 HG21 ILE 23 -8.232 -3.477 5.672 137 HG22 ILE 23 HG22 ILE 23 -9.488 -2.770 4.655 138 HG23 ILE 23 HG23 ILE 23 -9.311 -4.523 4.750 139 HD11 ILE 23 HD11 ILE 23 -7.587 -5.914 1.840 140 HD12 ILE 23 HD12 ILE 23 -7.116 -6.921 3.208 141 HD13 ILE 23 HD13 ILE 23 -8.657 -6.068 3.234 142 H THR 24 H THR 24 -9.866 -1.254 2.467 143 HA THR 24 HA THR 24 -12.302 -2.349 3.445 144 HB THR 24 HB THR 24 -11.530 -0.046 3.967 145 HG1 THR 24 HG1 THR 24 -13.727 -0.426 4.257 146 HG21 THR 24 HG21 THR 24 -12.245 1.650 2.099 147 HG22 THR 24 HG22 THR 24 -11.917 0.282 1.032 148 HG23 THR 24 HG23 THR 24 -10.644 0.908 2.081 149 H GLY 25 H GLY 25 -11.041 -1.759 0.269 150 HA2 GLY 25 HA2 GLY 25 -11.881 -2.236 -1.811 151 HA3 GLY 25 HA3 GLY 25 -13.158 -3.135 -1.002 152 H ASN 26 H ASN 26 -12.434 0.291 -0.629 153 HA ASN 26 HA ASN 26 -15.030 0.913 -1.864 154 HB2 ASN 26 HB2 ASN 26 -13.936 1.640 0.816 155 HB3 ASN 26 HB3 ASN 26 -14.983 2.794 0.003 156 HD21 ASN 26 HD21 ASN 26 -15.079 0.691 2.320 157 HD22 ASN 26 HD22 ASN 26 -16.663 0.027 2.117 158 H TYR 27 H TYR 27 -11.753 1.483 -2.003 159 HA TYR 27 HA TYR 27 -12.170 4.145 -3.190 160 HB2 TYR 27 HB2 TYR 27 -9.706 3.121 -1.763 161 HB3 TYR 27 HB3 TYR 27 -9.870 4.690 -2.517 162 HD1 TYR 27 HD2 TYR 27 -11.357 2.578 0.151 163 HD2 TYR 27 HD1 TYR 27 -10.593 6.520 -1.237 164 HE1 TYR 27 HE2 TYR 27 -12.197 3.476 2.275 165 HE2 TYR 27 HE1 TYR 27 -11.422 7.438 0.893 166 HH TYR 27 HH TYR 27 -13.072 6.617 2.746 167 H ALA 28 H ALA 28 -9.962 4.579 -4.568 168 HA ALA 28 HA ALA 28 -9.875 2.324 -6.450 169 HB1 ALA 28 HB1 ALA 28 -10.544 4.810 -7.037 170 HB2 ALA 28 HB2 ALA 28 -8.795 4.994 -7.177 171 HB3 ALA 28 HB3 ALA 28 -9.640 3.805 -8.169 172 H SER 29 H SER 29 -7.771 4.699 -4.841 173 HA SER 29 HA SER 29 -5.630 2.750 -4.786 174 HB2 SER 29 HB2 SER 29 -4.298 5.033 -5.728 175 HB3 SER 29 HB3 SER 29 -4.533 3.512 -6.585 176 HG SER 29 HG SER 29 -6.180 5.833 -6.665 177 H HIS 30 H HIS 30 -3.645 3.734 -3.706 178 HA HIS 30 HA HIS 30 -4.242 5.897 -1.851 179 HB2 HIS 30 HB2 HIS 30 -3.605 4.547 0.102 180 HB3 HIS 30 HB3 HIS 30 -5.030 3.878 -0.676 181 HD1 HIS 30 HD1 HIS 30 -4.693 1.559 -1.967 182 HD2 HIS 30 HD2 HIS 30 -1.392 2.938 0.165 183 HE1 HIS 30 HE1 HIS 30 -3.010 -0.343 -1.917 184 H ARG 31 H ARG 31 -2.026 5.719 -0.225 185 HA ARG 31 HA ARG 31 0.327 5.057 -1.727 186 HB2 ARG 31 HB2 ARG 31 -0.706 7.653 -2.069 187 HB3 ARG 31 HB3 ARG 31 0.690 7.818 -1.010 188 HG2 ARG 31 HG2 ARG 31 1.221 6.043 -3.229 189 HG3 ARG 31 HG3 ARG 31 0.711 7.642 -3.769 190 HD2 ARG 31 HD2 ARG 31 2.435 8.478 -1.997 191 HD3 ARG 31 HD3 ARG 31 3.102 6.854 -2.158 192 HE ARG 31 HE ARG 31 2.679 8.366 -4.614 193 HH11 ARG 31 HH12 ARG 31 4.928 7.201 -2.198 194 HH12 ARG 31 HH11 ARG 31 6.332 7.495 -3.173 195 HH21 ARG 31 HH22 ARG 31 4.514 8.759 -5.903 196 HH22 ARG 31 HH21 ARG 31 6.103 8.407 -5.284 197 H SER 32 H SER 32 -1.217 5.088 1.013 198 HA SER 32 HA SER 32 1.249 5.154 2.581 199 HB2 SER 32 HB2 SER 32 -1.071 5.976 4.152 200 HB3 SER 32 HB3 SER 32 0.527 6.706 4.045 201 HG SER 32 HG SER 32 -1.337 7.006 1.954 202 H LEU 33 H LEU 33 0.856 4.029 4.771 203 HA LEU 33 HA LEU 33 -0.141 1.430 4.202 204 HB2 LEU 33 HB2 LEU 33 1.491 2.730 6.190 205 HB3 LEU 33 HB3 LEU 33 0.351 1.638 6.953 206 HG LEU 33 HG LEU 33 2.015 0.717 4.651 207 HD11 LEU 33 HD11 LEU 33 2.862 0.664 7.538 208 HD12 LEU 33 HD12 LEU 33 3.737 -0.019 6.168 209 HD13 LEU 33 HD13 LEU 33 3.536 1.726 6.302 210 HD21 LEU 33 HD21 LEU 33 0.883 -1.149 5.059 211 HD22 LEU 33 HD22 LEU 33 1.677 -1.239 6.633 212 HD23 LEU 33 HD23 LEU 33 0.122 -0.424 6.476 213 H SER 34 H SER 34 -1.964 3.960 4.745 214 HA SER 34 HA SER 34 -3.661 2.929 6.841 215 HB2 SER 34 HB2 SER 34 -4.856 5.056 5.303 216 HB3 SER 34 HB3 SER 34 -4.309 5.073 6.980 217 HG SER 34 HG SER 34 -2.887 6.437 6.203 218 H GLY 35 H GLY 35 -3.308 2.478 3.488 219 HA2 GLY 35 HA2 GLY 35 -5.979 1.249 3.387 220 HA3 GLY 35 HA3 GLY 35 -5.490 2.375 2.134 221 H CYS 36 H CYS 36 -2.952 0.440 3.325 222 HA CYS 36 HA CYS 36 -2.553 -0.845 0.827 223 HB2 CYS 36 HB2 CYS 36 -1.324 -1.147 3.560 224 HB3 CYS 36 HB3 CYS 36 -0.885 -2.232 2.242 225 HA PRO 37 HA PRO 37 -5.440 -4.203 1.764 226 HB2 PRO 37 HB2 PRO 37 -5.545 -5.198 -0.740 227 HB3 PRO 37 HB3 PRO 37 -6.418 -3.734 -0.273 228 HG2 PRO 37 HG2 PRO 37 -3.842 -4.014 -1.757 229 HG3 PRO 37 HG3 PRO 37 -5.183 -2.888 -2.037 230 HD2 PRO 37 HD2 PRO 37 -2.867 -2.219 -0.724 231 HD3 PRO 37 HD3 PRO 37 -4.421 -1.407 -0.472 232 H ARG 38 H ARG 38 -2.210 -4.199 0.775 233 HA ARG 38 HA ARG 38 -1.990 -7.097 1.257 234 HB2 ARG 38 HB2 ARG 38 -0.305 -5.303 -0.495 235 HB3 ARG 38 HB3 ARG 38 0.165 -6.938 -0.049 236 HG2 ARG 38 HG2 ARG 38 -1.130 -7.822 -1.620 237 HG3 ARG 38 HG3 ARG 38 -2.520 -6.858 -1.113 238 HD2 ARG 38 HD2 ARG 38 -0.772 -5.061 -2.343 239 HD3 ARG 38 HD3 ARG 38 -0.756 -6.499 -3.360 240 HE ARG 38 HE ARG 38 -3.387 -6.134 -2.992 241 HH11 ARG 38 HH12 ARG 38 -0.849 -3.888 -3.789 242 HH12 ARG 38 HH11 ARG 38 -1.846 -2.872 -4.790 243 HH21 ARG 38 HH22 ARG 38 -4.753 -4.803 -4.292 244 HH22 ARG 38 HH21 ARG 38 -4.089 -3.383 -5.045 245 H ALA 39 H ALA 39 -1.930 -4.623 3.019 246 HA ALA 39 HA ALA 39 0.657 -4.210 4.025 247 HB1 ALA 39 HB1 ALA 39 -0.412 -3.283 5.980 248 HB2 ALA 39 HB2 ALA 39 -1.291 -2.774 4.537 249 HB3 ALA 39 HB3 ALA 39 -1.938 -4.060 5.554 250 H LYS 40 H LYS 40 1.940 -5.733 4.726 251 HA LYS 40 HA LYS 40 2.758 -7.641 5.628 252 HB2 LYS 40 HB2 LYS 40 1.001 -6.472 7.637 253 HB3 LYS 40 HB3 LYS 40 1.191 -8.211 7.836 254 HG2 LYS 40 HG2 LYS 40 2.979 -7.559 9.051 255 HG3 LYS 40 HG3 LYS 40 3.753 -7.547 7.463 256 HD2 LYS 40 HD2 LYS 40 4.333 -5.447 8.035 257 HD3 LYS 40 HD3 LYS 40 2.691 -5.060 7.521 258 HE2 LYS 40 HE2 LYS 40 3.149 -5.924 10.331 259 HE3 LYS 40 HE3 LYS 40 3.610 -4.288 9.862 260 HZ1 LYS 40 HZ1 LYS 40 1.033 -4.864 8.867 261 HZ2 LYS 40 HZ2 LYS 40 1.503 -3.671 9.975 262 HZ3 LYS 40 HZ3 LYS 40 1.078 -5.220 10.524 263 H LYS 41 H LYS 41 0.804 -7.963 3.591 264 HA LYS 41 HA LYS 41 -1.182 -9.839 4.120 265 HB2 LYS 41 HB2 LYS 41 -0.381 -8.499 1.909 266 HB3 LYS 41 HB3 LYS 41 0.231 -10.104 1.531 267 HG2 LYS 41 HG2 LYS 41 -2.548 -9.979 2.506 268 HG3 LYS 41 HG3 LYS 41 -2.241 -9.258 0.923 269 HD2 LYS 41 HD2 LYS 41 -1.179 -11.982 1.568 270 HD3 LYS 41 HD3 LYS 41 -2.864 -11.777 1.087 271 HE2 LYS 41 HE2 LYS 41 -2.324 -11.410 -1.055 272 HE3 LYS 41 HE3 LYS 41 -0.982 -10.350 -0.625 273 HZ1 LYS 41 HZ1 LYS 41 0.358 -12.326 -0.160 274 HZ2 LYS 41 HZ2 LYS 41 -0.189 -12.315 -1.766 275 HZ3 LYS 41 HZ3 LYS 41 -0.936 -13.324 -0.626 276 H SER 42 H SER 42 -0.766 -11.611 5.278 277 HA SER 42 HA SER 42 0.070 -13.614 5.928 278 HB2 SER 42 HB2 SER 42 1.328 -14.016 3.233 279 HB3 SER 42 HB3 SER 42 0.543 -15.196 4.283 280 HG SER 42 HG SER 42 -1.265 -13.355 3.670 281 H GLY 43 H GLY 43 1.652 -11.199 6.223 282 HA2 GLY 43 HA2 GLY 43 3.721 -10.775 7.204 283 HA3 GLY 43 HA3 GLY 43 4.204 -12.425 6.839 284 H LEU 44 H LEU 44 4.901 -9.303 6.167 285 HA LEU 44 HA LEU 44 5.184 -9.280 3.367 286 HB2 LEU 44 HB2 LEU 44 6.557 -7.706 5.537 287 HB3 LEU 44 HB3 LEU 44 6.746 -7.367 3.825 288 HG LEU 44 HG LEU 44 4.076 -7.353 5.208 289 HD11 LEU 44 HD11 LEU 44 4.951 -5.614 6.332 290 HD12 LEU 44 HD12 LEU 44 6.221 -5.332 5.141 291 HD13 LEU 44 HD13 LEU 44 4.581 -4.759 4.831 292 HD21 LEU 44 HD21 LEU 44 3.879 -7.588 2.854 293 HD22 LEU 44 HD22 LEU 44 3.504 -5.912 3.252 294 HD23 LEU 44 HD23 LEU 44 5.074 -6.324 2.563 295 H ARG 45 H ARG 45 7.191 -10.531 5.912 296 HA ARG 45 HA ARG 45 9.481 -10.802 4.129 297 HB2 ARG 45 HB2 ARG 45 9.521 -10.074 6.625 298 HB3 ARG 45 HB3 ARG 45 9.378 -11.794 6.957 299 HG2 ARG 45 HG2 ARG 45 11.420 -12.081 5.452 300 HG3 ARG 45 HG3 ARG 45 11.618 -10.334 5.604 301 HD2 ARG 45 HD2 ARG 45 12.877 -11.865 7.250 302 HD3 ARG 45 HD3 ARG 45 12.036 -10.454 7.886 303 HE ARG 45 HE ARG 45 10.985 -13.214 8.017 304 HH11 ARG 45 HH12 ARG 45 11.335 -9.986 9.345 305 HH12 ARG 45 HH11 ARG 45 10.415 -10.339 10.781 306 HH21 ARG 45 HH22 ARG 45 9.783 -13.678 9.887 307 HH22 ARG 45 HH21 ARG 45 9.509 -12.447 11.082 308 H VAL 46 H VAL 46 6.799 -12.454 4.251 309 HA VAL 46 HA VAL 46 8.147 -15.068 4.078 310 HB VAL 46 HB VAL 46 5.188 -14.954 4.418 311 HG11 VAL 46 HG11 VAL 46 6.405 -17.064 4.007 312 HG12 VAL 46 HG12 VAL 46 7.287 -16.823 5.516 313 HG13 VAL 46 HG13 VAL 46 5.540 -17.063 5.544 314 HG21 VAL 46 HG21 VAL 46 5.659 -13.519 6.199 315 HG22 VAL 46 HG22 VAL 46 5.639 -15.115 6.949 316 HG23 VAL 46 HG23 VAL 46 7.176 -14.336 6.577 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 12.546 8.057 -2.011 2 H2 GLY 1 H2 GLY 1 12.468 9.322 -3.133 3 H3 GLY 1 H3 GLY 1 12.599 9.668 -1.475 4 HA2 GLY 1 HA3 GLY 1 14.798 9.311 -1.405 5 HA3 GLY 1 HA2 GLY 1 14.703 8.008 -2.580 6 H SER 2 H SER 2 16.721 9.857 -2.722 7 HA SER 2 HA SER 2 15.976 11.884 -4.657 8 HB2 SER 2 HB2 SER 2 18.787 11.216 -3.800 9 HB3 SER 2 HB3 SER 2 18.144 12.764 -4.345 10 HG SER 2 HG SER 2 16.891 12.829 -2.414 11 H MET 3 H MET 3 15.221 10.223 -6.210 12 HA MET 3 HA MET 3 17.341 8.754 -7.582 13 HB2 MET 3 HB2 MET 3 14.337 8.777 -7.872 14 HB3 MET 3 HB3 MET 3 15.391 7.907 -8.979 15 HG2 MET 3 HG2 MET 3 15.873 6.288 -7.468 16 HG3 MET 3 HG3 MET 3 15.738 7.378 -6.088 17 HE1 MET 3 HE1 MET 3 12.307 5.156 -8.188 18 HE2 MET 3 HE2 MET 3 13.317 6.313 -9.054 19 HE3 MET 3 HE3 MET 3 14.031 4.842 -8.395 20 H ALA 4 H ALA 4 14.554 10.596 -8.797 21 HA ALA 4 HA ALA 4 16.298 11.742 -10.864 22 HB1 ALA 4 HB1 ALA 4 13.293 11.613 -10.662 23 HB2 ALA 4 HB2 ALA 4 14.175 12.431 -11.952 24 HB3 ALA 4 HB3 ALA 4 14.328 10.686 -11.749 25 H ALA 5 H ALA 5 13.434 12.943 -9.147 26 HA ALA 5 HA ALA 5 15.017 15.173 -8.111 27 HB1 ALA 5 HB1 ALA 5 13.782 15.864 -10.215 28 HB2 ALA 5 HB2 ALA 5 12.292 15.643 -9.297 29 HB3 ALA 5 HB3 ALA 5 13.480 16.839 -8.777 30 H HIS 6 H HIS 6 11.568 15.298 -7.883 31 HA HIS 6 HA HIS 6 11.717 14.593 -5.054 32 HB2 HIS 6 HB2 HIS 6 10.397 16.603 -5.969 33 HB3 HIS 6 HB3 HIS 6 9.221 15.420 -6.531 34 HD1 HIS 6 HD1 HIS 6 10.855 14.725 -3.265 35 HD2 HIS 6 HD2 HIS 6 7.379 16.541 -4.663 36 HE1 HIS 6 HE1 HIS 6 9.347 14.950 -1.266 37 HE2 HIS 6 HE2 HIS 6 7.284 16.112 -2.114 38 H SER 7 H SER 7 12.349 12.401 -6.041 39 HA SER 7 HA SER 7 10.149 10.783 -6.979 40 HB2 SER 7 HB2 SER 7 12.755 9.597 -6.122 41 HB3 SER 7 HB3 SER 7 11.744 9.202 -7.515 42 HG SER 7 HG SER 7 12.374 11.334 -8.341 43 H ALA 8 H ALA 8 8.876 11.257 -5.000 44 HA ALA 8 HA ALA 8 9.295 9.156 -3.034 45 HB1 ALA 8 HB1 ALA 8 9.767 11.985 -2.498 46 HB2 ALA 8 HB2 ALA 8 8.618 11.242 -1.385 47 HB3 ALA 8 HB3 ALA 8 10.233 10.559 -1.568 48 H ASP 9 H ASP 9 7.447 8.759 -1.728 49 HA ASP 9 HA ASP 9 5.257 8.317 -1.441 50 HB2 ASP 9 HB2 ASP 9 5.545 10.818 -0.808 51 HB3 ASP 9 HB3 ASP 9 4.631 11.119 -2.277 52 H LEU 10 H LEU 10 6.223 7.641 -3.948 53 HA LEU 10 HA LEU 10 3.862 8.057 -5.662 54 HB2 LEU 10 HB2 LEU 10 6.541 6.837 -6.345 55 HB3 LEU 10 HB3 LEU 10 5.203 7.050 -7.462 56 HG LEU 10 HG LEU 10 6.059 9.511 -6.112 57 HD11 LEU 10 HD11 LEU 10 7.911 9.349 -8.152 58 HD12 LEU 10 HD12 LEU 10 8.239 9.277 -6.421 59 HD13 LEU 10 HD13 LEU 10 8.027 7.788 -7.342 60 HD21 LEU 10 HD21 LEU 10 6.052 9.302 -9.038 61 HD22 LEU 10 HD22 LEU 10 4.525 8.885 -8.259 62 HD23 LEU 10 HD23 LEU 10 5.254 10.465 -7.977 63 H LYS 11 H LYS 11 5.714 5.845 -3.806 64 HA LYS 11 HA LYS 11 3.688 3.799 -4.187 65 HB2 LYS 11 HB2 LYS 11 6.559 3.644 -4.363 66 HB3 LYS 11 HB3 LYS 11 5.981 2.642 -3.035 67 HG2 LYS 11 HG2 LYS 11 4.986 2.527 -5.864 68 HG3 LYS 11 HG3 LYS 11 6.145 1.418 -5.134 69 HD2 LYS 11 HD2 LYS 11 3.512 1.853 -3.810 70 HD3 LYS 11 HD3 LYS 11 3.585 0.823 -5.242 71 HE2 LYS 11 HE2 LYS 11 4.162 -0.845 -3.888 72 HE3 LYS 11 HE3 LYS 11 5.708 -0.027 -3.668 73 HZ1 LYS 11 HZ1 LYS 11 3.333 0.575 -1.987 74 HZ2 LYS 11 HZ2 LYS 11 4.952 0.982 -1.699 75 HZ3 LYS 11 HZ3 LYS 11 4.457 -0.629 -1.584 76 H CYS 12 H CYS 12 3.071 2.729 -2.337 77 HA CYS 12 HA CYS 12 3.013 4.318 0.031 78 HB2 CYS 12 HB2 CYS 12 1.723 2.171 0.810 79 HB3 CYS 12 HB3 CYS 12 0.999 3.255 -0.373 80 HA PRO 13 HA PRO 13 6.076 2.569 2.646 81 HB2 PRO 13 HB2 PRO 13 4.037 1.356 4.442 82 HB3 PRO 13 HB3 PRO 13 5.344 2.483 4.820 83 HG2 PRO 13 HG2 PRO 13 2.824 3.317 4.711 84 HG3 PRO 13 HG3 PRO 13 4.145 4.322 4.087 85 HD2 PRO 13 HD2 PRO 13 2.150 2.677 2.598 86 HD3 PRO 13 HD3 PRO 13 2.839 4.261 2.191 87 H THR 14 H THR 14 3.436 0.231 2.175 88 HA THR 14 HA THR 14 4.936 -2.036 2.906 89 HB THR 14 HB THR 14 2.534 -2.054 1.087 90 HG1 THR 14 HG1 THR 14 1.409 -1.314 2.709 91 HG21 THR 14 HG21 THR 14 2.202 -4.142 2.708 92 HG22 THR 14 HG22 THR 14 3.962 -4.045 2.760 93 HG23 THR 14 HG23 THR 14 3.134 -4.250 1.215 94 HA PRO 15 HA PRO 15 7.431 -2.290 -0.806 95 HB2 PRO 15 HB2 PRO 15 8.351 -4.784 0.494 96 HB3 PRO 15 HB3 PRO 15 9.283 -3.386 -0.042 97 HG2 PRO 15 HG2 PRO 15 8.887 -3.828 2.542 98 HG3 PRO 15 HG3 PRO 15 8.843 -2.181 1.884 99 HD2 PRO 15 HD2 PRO 15 6.554 -3.988 2.603 100 HD3 PRO 15 HD3 PRO 15 6.771 -2.258 2.950 101 H GLY 16 H GLY 16 5.503 -4.912 0.547 102 HA2 GLY 16 HA2 GLY 16 5.618 -6.452 -1.898 103 HA3 GLY 16 HA3 GLY 16 4.752 -6.883 -0.435 104 H CYS 17 H CYS 17 4.052 -3.751 -1.189 105 HA CYS 17 HA CYS 17 1.491 -4.523 -2.385 106 HB2 CYS 17 HB2 CYS 17 1.580 -3.271 -0.210 107 HB3 CYS 17 HB3 CYS 17 2.282 -1.916 -1.081 108 H ASP 18 H ASP 18 0.598 -2.523 -3.748 109 HA ASP 18 HA ASP 18 2.732 -1.682 -5.592 110 HB2 ASP 18 HB2 ASP 18 1.647 -2.452 -7.462 111 HB3 ASP 18 HB3 ASP 18 1.121 -3.657 -6.294 112 H GLY 19 H GLY 19 -0.015 -0.827 -3.774 113 HA2 GLY 19 HA2 GLY 19 -0.385 1.460 -3.228 114 HA3 GLY 19 HA3 GLY 19 0.231 1.907 -4.809 115 H SER 20 H SER 20 -1.768 -0.582 -5.464 116 HA SER 20 HA SER 20 -4.024 1.255 -5.921 117 HB2 SER 20 HB2 SER 20 -3.794 -1.381 -7.322 118 HB3 SER 20 HB3 SER 20 -4.503 0.134 -7.886 119 HG SER 20 HG SER 20 -1.857 -0.739 -7.932 120 H GLY 21 H GLY 21 -6.138 0.599 -5.474 121 HA2 GLY 21 HA2 GLY 21 -7.806 -0.759 -4.550 122 HA3 GLY 21 HA3 GLY 21 -6.579 -1.942 -4.125 123 H HIS 22 H HIS 22 -8.072 -1.812 -2.150 124 HA HIS 22 HA HIS 22 -6.622 -0.369 -0.112 125 HB2 HIS 22 HB2 HIS 22 -9.358 0.442 -0.931 126 HB3 HIS 22 HB3 HIS 22 -9.104 0.250 0.795 127 HD1 HIS 22 HD1 HIS 22 -8.062 2.140 2.006 128 HD2 HIS 22 HD2 HIS 22 -7.659 2.499 -2.120 129 HE1 HIS 22 HE1 HIS 22 -7.204 4.463 1.610 130 HE2 HIS 22 HE2 HIS 22 -7.107 4.715 -0.896 131 H ILE 23 H ILE 23 -7.474 -0.969 2.075 132 HA ILE 23 HA ILE 23 -8.147 -3.781 2.172 133 HB ILE 23 HB ILE 23 -6.879 -1.941 3.914 134 HG12 ILE 23 HG12 ILE 23 -6.363 -4.365 3.366 135 HG13 ILE 23 HG13 ILE 23 -6.137 -3.877 5.041 136 HG21 ILE 23 HG21 ILE 23 -9.209 -1.590 4.831 137 HG22 ILE 23 HG22 ILE 23 -9.140 -3.262 5.387 138 HG23 ILE 23 HG23 ILE 23 -7.975 -2.082 5.990 139 HD11 ILE 23 HD11 ILE 23 -7.185 -5.910 5.250 140 HD12 ILE 23 HD12 ILE 23 -8.540 -4.788 5.362 141 HD13 ILE 23 HD13 ILE 23 -8.224 -5.642 3.851 142 H THR 24 H THR 24 -9.673 -0.688 2.468 143 HA THR 24 HA THR 24 -12.127 -1.663 3.578 144 HB THR 24 HB THR 24 -11.279 0.651 3.962 145 HG1 THR 24 HG1 THR 24 -13.495 0.178 4.281 146 HG21 THR 24 HG21 THR 24 -10.424 1.332 1.881 147 HG22 THR 24 HG22 THR 24 -11.869 2.312 2.124 148 HG23 THR 24 HG23 THR 24 -11.917 0.924 1.037 149 H GLY 25 H GLY 25 -10.856 -1.198 0.370 150 HA2 GLY 25 HA2 GLY 25 -11.713 -1.755 -1.689 151 HA3 GLY 25 HA3 GLY 25 -12.965 -2.645 -0.837 152 H ASN 26 H ASN 26 -12.347 0.782 -0.476 153 HA ASN 26 HA ASN 26 -14.966 1.341 -1.707 154 HB2 ASN 26 HB2 ASN 26 -13.788 2.162 0.891 155 HB3 ASN 26 HB3 ASN 26 -14.736 3.373 0.040 156 HD21 ASN 26 HD21 ASN 26 -14.913 1.115 2.333 157 HD22 ASN 26 HD22 ASN 26 -16.587 0.696 2.209 158 H TYR 27 H TYR 27 -11.733 1.829 -2.067 159 HA TYR 27 HA TYR 27 -12.123 4.451 -3.349 160 HB2 TYR 27 HB2 TYR 27 -9.675 3.324 -1.977 161 HB3 TYR 27 HB3 TYR 27 -9.679 4.800 -2.919 162 HD1 TYR 27 HD2 TYR 27 -11.299 3.224 0.042 163 HD2 TYR 27 HD1 TYR 27 -10.102 6.839 -1.859 164 HE1 TYR 27 HE2 TYR 27 -11.886 4.478 2.070 165 HE2 TYR 27 HE1 TYR 27 -10.679 8.101 0.171 166 HH TYR 27 HH TYR 27 -12.224 7.802 2.164 167 H ALA 28 H ALA 28 -9.771 4.609 -4.734 168 HA ALA 28 HA ALA 28 -9.954 2.325 -6.584 169 HB1 ALA 28 HB1 ALA 28 -8.716 4.082 -8.111 170 HB2 ALA 28 HB2 ALA 28 -10.471 4.102 -7.932 171 HB3 ALA 28 HB3 ALA 28 -9.477 5.231 -7.010 172 H SER 29 H SER 29 -7.673 4.631 -5.117 173 HA SER 29 HA SER 29 -5.703 2.494 -4.936 174 HB2 SER 29 HB2 SER 29 -4.158 4.672 -5.766 175 HB3 SER 29 HB3 SER 29 -4.512 3.219 -6.700 176 HG SER 29 HG SER 29 -6.174 4.249 -7.710 177 H HIS 30 H HIS 30 -3.653 3.464 -3.771 178 HA HIS 30 HA HIS 30 -4.392 5.535 -1.845 179 HB2 HIS 30 HB2 HIS 30 -3.793 4.123 0.058 180 HB3 HIS 30 HB3 HIS 30 -5.123 3.402 -0.838 181 HD1 HIS 30 HD1 HIS 30 -4.613 1.161 -2.121 182 HD2 HIS 30 HD2 HIS 30 -1.429 2.702 0.074 183 HE1 HIS 30 HE1 HIS 30 -2.824 -0.636 -2.076 184 H ARG 31 H ARG 31 -2.328 5.525 -0.156 185 HA ARG 31 HA ARG 31 0.170 5.054 -1.538 186 HB2 ARG 31 HB2 ARG 31 -0.890 7.443 -2.089 187 HB3 ARG 31 HB3 ARG 31 -0.122 7.847 -0.559 188 HG2 ARG 31 HG2 ARG 31 1.605 8.333 -1.933 189 HG3 ARG 31 HG3 ARG 31 1.928 6.610 -1.728 190 HD2 ARG 31 HD2 ARG 31 1.985 6.674 -3.992 191 HD3 ARG 31 HD3 ARG 31 0.245 6.478 -3.794 192 HE ARG 31 HE ARG 31 1.331 9.193 -3.973 193 HH11 ARG 31 HH12 ARG 31 -0.371 6.548 -5.508 194 HH12 ARG 31 HH11 ARG 31 -1.153 7.566 -6.688 195 HH21 ARG 31 HH22 ARG 31 0.348 10.525 -5.522 196 HH22 ARG 31 HH21 ARG 31 -0.710 9.838 -6.720 197 H SER 32 H SER 32 -1.508 4.699 1.107 198 HA SER 32 HA SER 32 0.846 4.872 2.834 199 HB2 SER 32 HB2 SER 32 -1.542 5.400 4.371 200 HB3 SER 32 HB3 SER 32 -0.080 6.373 4.226 201 HG SER 32 HG SER 32 -1.172 7.702 3.042 202 H LEU 33 H LEU 33 0.423 3.562 4.914 203 HA LEU 33 HA LEU 33 -0.357 0.949 4.110 204 HB2 LEU 33 HB2 LEU 33 1.047 2.197 6.298 205 HB3 LEU 33 HB3 LEU 33 -0.074 0.987 6.895 206 HG LEU 33 HG LEU 33 1.770 0.307 4.655 207 HD11 LEU 33 HD11 LEU 33 3.272 1.255 6.240 208 HD12 LEU 33 HD12 LEU 33 2.478 0.421 7.576 209 HD13 LEU 33 HD13 LEU 33 3.385 -0.499 6.374 210 HD21 LEU 33 HD21 LEU 33 -0.066 -1.214 5.357 211 HD22 LEU 33 HD22 LEU 33 1.538 -1.924 5.539 212 HD23 LEU 33 HD23 LEU 33 0.677 -1.312 6.953 213 H SER 34 H SER 34 -2.172 3.510 5.088 214 HA SER 34 HA SER 34 -4.141 2.101 6.661 215 HB2 SER 34 HB2 SER 34 -5.193 4.479 5.492 216 HB3 SER 34 HB3 SER 34 -4.701 4.215 7.167 217 HG SER 34 HG SER 34 -2.927 5.292 6.817 218 H GLY 35 H GLY 35 -3.272 2.365 3.413 219 HA2 GLY 35 HA2 GLY 35 -5.969 1.560 2.538 220 HA3 GLY 35 HA3 GLY 35 -4.827 2.432 1.530 221 H CYS 36 H CYS 36 -2.695 0.560 2.777 222 HA CYS 36 HA CYS 36 -2.408 -1.134 0.604 223 HB2 CYS 36 HB2 CYS 36 -1.282 -1.270 3.401 224 HB3 CYS 36 HB3 CYS 36 -0.820 -2.416 2.141 225 HA PRO 37 HA PRO 37 -5.419 -4.302 1.831 226 HB2 PRO 37 HB2 PRO 37 -5.547 -5.485 -0.583 227 HB3 PRO 37 HB3 PRO 37 -6.410 -3.983 -0.237 228 HG2 PRO 37 HG2 PRO 37 -3.826 -4.390 -1.684 229 HG3 PRO 37 HG3 PRO 37 -5.173 -3.304 -2.081 230 HD2 PRO 37 HD2 PRO 37 -2.883 -2.479 -0.818 231 HD3 PRO 37 HD3 PRO 37 -4.457 -1.691 -0.625 232 H ARG 38 H ARG 38 -2.202 -4.295 0.905 233 HA ARG 38 HA ARG 38 -1.888 -7.169 1.472 234 HB2 ARG 38 HB2 ARG 38 -0.227 -5.305 -0.217 235 HB3 ARG 38 HB3 ARG 38 0.386 -6.851 0.358 236 HG2 ARG 38 HG2 ARG 38 -0.716 -7.979 -1.203 237 HG3 ARG 38 HG3 ARG 38 -2.209 -7.079 -0.918 238 HD2 ARG 38 HD2 ARG 38 -0.561 -5.226 -2.114 239 HD3 ARG 38 HD3 ARG 38 -0.179 -6.723 -2.963 240 HE ARG 38 HE ARG 38 -2.811 -6.816 -3.066 241 HH11 ARG 38 HH12 ARG 38 -0.726 -4.049 -3.470 242 HH12 ARG 38 HH11 ARG 38 -1.719 -3.293 -4.684 243 HH21 ARG 38 HH22 ARG 38 -4.167 -5.818 -4.622 244 HH22 ARG 38 HH21 ARG 38 -3.692 -4.305 -5.333 245 H ALA 39 H ALA 39 -2.199 -4.973 3.335 246 HA ALA 39 HA ALA 39 -0.012 -3.791 4.376 247 HB1 ALA 39 HB1 ALA 39 -1.163 -4.023 6.631 248 HB2 ALA 39 HB2 ALA 39 -2.088 -3.268 5.333 249 HB3 ALA 39 HB3 ALA 39 -2.399 -4.946 5.777 250 H LYS 40 H LYS 40 1.687 -4.257 5.622 251 HA LYS 40 HA LYS 40 2.788 -6.811 5.576 252 HB2 LYS 40 HB2 LYS 40 3.514 -4.613 7.517 253 HB3 LYS 40 HB3 LYS 40 4.549 -5.921 6.960 254 HG2 LYS 40 HG2 LYS 40 5.189 -4.766 5.181 255 HG3 LYS 40 HG3 LYS 40 3.522 -4.383 4.744 256 HD2 LYS 40 HD2 LYS 40 4.633 -2.314 5.133 257 HD3 LYS 40 HD3 LYS 40 3.579 -2.602 6.519 258 HE2 LYS 40 HE2 LYS 40 5.954 -3.813 7.236 259 HE3 LYS 40 HE3 LYS 40 6.469 -2.353 6.394 260 HZ1 LYS 40 HZ1 LYS 40 5.438 -0.998 7.925 261 HZ2 LYS 40 HZ2 LYS 40 5.996 -2.259 8.909 262 HZ3 LYS 40 HZ3 LYS 40 4.363 -2.202 8.450 263 H LYS 41 H LYS 41 1.747 -8.468 6.520 264 HA LYS 41 HA LYS 41 0.818 -8.158 9.285 265 HB2 LYS 41 HB2 LYS 41 -0.097 -9.707 6.968 266 HB3 LYS 41 HB3 LYS 41 -0.034 -10.640 8.457 267 HG2 LYS 41 HG2 LYS 41 -2.080 -9.832 8.818 268 HG3 LYS 41 HG3 LYS 41 -1.252 -8.348 9.291 269 HD2 LYS 41 HD2 LYS 41 -1.359 -8.059 6.595 270 HD3 LYS 41 HD3 LYS 41 -2.856 -8.941 6.907 271 HE2 LYS 41 HE2 LYS 41 -2.704 -6.976 8.897 272 HE3 LYS 41 HE3 LYS 41 -2.225 -6.178 7.401 273 HZ1 LYS 41 HZ1 LYS 41 -4.758 -7.604 7.967 274 HZ2 LYS 41 HZ2 LYS 41 -4.282 -7.176 6.395 275 HZ3 LYS 41 HZ3 LYS 41 -4.548 -5.970 7.561 276 H SER 42 H SER 42 1.798 -11.107 7.607 277 HA SER 42 HA SER 42 3.424 -11.918 9.839 278 HB2 SER 42 HB2 SER 42 3.961 -13.628 7.689 279 HB3 SER 42 HB3 SER 42 2.794 -13.898 8.985 280 HG SER 42 HG SER 42 1.175 -13.302 7.703 281 H GLY 43 H GLY 43 3.906 -10.646 6.611 282 HA2 GLY 43 HA2 GLY 43 6.714 -10.136 7.309 283 HA3 GLY 43 HA3 GLY 43 6.317 -10.816 5.734 284 H LEU 44 H LEU 44 7.614 -8.640 5.421 285 HA LEU 44 HA LEU 44 5.667 -6.448 5.156 286 HB2 LEU 44 HB2 LEU 44 7.845 -5.106 4.722 287 HB3 LEU 44 HB3 LEU 44 7.404 -5.535 6.362 288 HG LEU 44 HG LEU 44 9.060 -7.603 5.250 289 HD11 LEU 44 HD11 LEU 44 11.084 -5.820 5.382 290 HD12 LEU 44 HD12 LEU 44 10.338 -6.361 3.878 291 HD13 LEU 44 HD13 LEU 44 9.835 -4.839 4.616 292 HD21 LEU 44 HD21 LEU 44 9.805 -5.645 7.398 293 HD22 LEU 44 HD22 LEU 44 8.589 -6.893 7.663 294 HD23 LEU 44 HD23 LEU 44 10.243 -7.346 7.251 295 H ARG 45 H ARG 45 7.905 -8.519 3.495 296 HA ARG 45 HA ARG 45 7.195 -7.276 0.922 297 HB2 ARG 45 HB2 ARG 45 9.616 -8.508 1.950 298 HB3 ARG 45 HB3 ARG 45 9.097 -9.270 0.453 299 HG2 ARG 45 HG2 ARG 45 10.104 -7.624 -0.632 300 HG3 ARG 45 HG3 ARG 45 8.850 -6.543 -0.021 301 HD2 ARG 45 HD2 ARG 45 10.176 -5.758 1.696 302 HD3 ARG 45 HD3 ARG 45 11.199 -7.193 1.696 303 HE ARG 45 HE ARG 45 11.325 -5.401 -0.618 304 HH11 ARG 45 HH12 ARG 45 12.811 -6.692 2.288 305 HH12 ARG 45 HH11 ARG 45 14.374 -6.015 1.924 306 HH21 ARG 45 HH22 ARG 45 13.399 -4.589 -1.121 307 HH22 ARG 45 HH21 ARG 45 14.724 -4.887 -0.034 308 H VAL 46 H VAL 46 5.060 -8.402 1.611 309 HA VAL 46 HA VAL 46 5.117 -11.176 0.622 310 HB VAL 46 HB VAL 46 2.719 -11.101 1.840 311 HG11 VAL 46 HG11 VAL 46 3.888 -12.129 3.827 312 HG12 VAL 46 HG12 VAL 46 4.265 -12.838 2.257 313 HG13 VAL 46 HG13 VAL 46 5.408 -11.736 3.025 314 HG21 VAL 46 HG21 VAL 46 2.520 -9.692 3.606 315 HG22 VAL 46 HG22 VAL 46 4.255 -9.676 3.926 316 HG23 VAL 46 HG23 VAL 46 3.588 -8.688 2.625 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -2.928 10.951 9.481 2 H2 GLY 1 H2 GLY 1 -3.208 11.908 8.114 3 H3 GLY 1 H3 GLY 1 -1.646 11.328 8.435 4 HA2 GLY 1 HA3 GLY 1 -2.669 9.014 8.267 5 HA3 GLY 1 HA2 GLY 1 -4.015 9.840 7.492 6 H SER 2 H SER 2 -3.657 10.928 5.498 7 HA SER 2 HA SER 2 -1.249 9.984 4.091 8 HB2 SER 2 HB2 SER 2 -3.928 10.506 2.805 9 HB3 SER 2 HB3 SER 2 -2.555 9.618 2.144 10 HG SER 2 HG SER 2 -4.232 8.846 4.316 11 H MET 3 H MET 3 0.060 11.700 3.963 12 HA MET 3 HA MET 3 -0.990 14.381 3.594 13 HB2 MET 3 HB2 MET 3 1.665 13.187 4.198 14 HB3 MET 3 HB3 MET 3 1.647 14.751 3.398 15 HG2 MET 3 HG2 MET 3 0.996 15.827 5.233 16 HG3 MET 3 HG3 MET 3 -0.161 14.575 5.679 17 HE1 MET 3 HE1 MET 3 3.508 13.519 4.951 18 HE2 MET 3 HE2 MET 3 3.726 15.211 5.398 19 HE3 MET 3 HE3 MET 3 4.341 13.933 6.449 20 H ALA 4 H ALA 4 -1.889 13.245 1.501 21 HA ALA 4 HA ALA 4 -0.371 14.340 -0.705 22 HB1 ALA 4 HB1 ALA 4 -0.052 11.624 -0.109 23 HB2 ALA 4 HB2 ALA 4 -1.158 11.678 -1.483 24 HB3 ALA 4 HB3 ALA 4 0.421 12.456 -1.591 25 H ALA 5 H ALA 5 -2.261 15.701 -0.618 26 HA ALA 5 HA ALA 5 -4.889 14.745 -0.824 27 HB1 ALA 5 HB1 ALA 5 -3.883 17.397 -1.845 28 HB2 ALA 5 HB2 ALA 5 -5.525 16.996 -1.343 29 HB3 ALA 5 HB3 ALA 5 -4.227 17.053 -0.149 30 H HIS 6 H HIS 6 -2.854 16.169 -3.379 31 HA HIS 6 HA HIS 6 -4.381 14.574 -5.332 32 HB2 HIS 6 HB2 HIS 6 -4.658 17.238 -5.152 33 HB3 HIS 6 HB3 HIS 6 -3.243 17.178 -6.198 34 HD1 HIS 6 HD1 HIS 6 -3.791 17.146 -8.599 35 HD2 HIS 6 HD2 HIS 6 -6.810 15.439 -6.302 36 HE1 HIS 6 HE1 HIS 6 -5.598 16.493 -10.222 37 HE2 HIS 6 HE2 HIS 6 -7.335 15.306 -8.834 38 H SER 7 H SER 7 -1.770 14.138 -3.975 39 HA SER 7 HA SER 7 0.237 14.516 -5.993 40 HB2 SER 7 HB2 SER 7 0.562 12.596 -3.717 41 HB3 SER 7 HB3 SER 7 1.746 13.684 -4.445 42 HG SER 7 HG SER 7 0.533 15.438 -3.518 43 H ALA 8 H ALA 8 1.441 12.730 -6.952 44 HA ALA 8 HA ALA 8 -0.383 10.789 -8.077 45 HB1 ALA 8 HB1 ALA 8 1.051 10.691 -9.808 46 HB2 ALA 8 HB2 ALA 8 1.717 12.161 -9.096 47 HB3 ALA 8 HB3 ALA 8 2.469 10.602 -8.764 48 H ASP 9 H ASP 9 0.870 8.553 -8.544 49 HA ASP 9 HA ASP 9 0.905 7.240 -6.016 50 HB2 ASP 9 HB2 ASP 9 0.061 6.162 -8.083 51 HB3 ASP 9 HB3 ASP 9 1.702 6.147 -8.723 52 H LEU 10 H LEU 10 2.569 7.990 -4.785 53 HA LEU 10 HA LEU 10 5.313 7.678 -5.744 54 HB2 LEU 10 HB2 LEU 10 5.856 8.585 -3.432 55 HB3 LEU 10 HB3 LEU 10 5.020 9.677 -4.521 56 HG LEU 10 HG LEU 10 2.995 8.366 -3.083 57 HD11 LEU 10 HD11 LEU 10 4.096 9.449 -0.801 58 HD12 LEU 10 HD12 LEU 10 3.923 7.731 -1.163 59 HD13 LEU 10 HD13 LEU 10 5.436 8.563 -1.527 60 HD21 LEU 10 HD21 LEU 10 3.574 10.873 -3.890 61 HD22 LEU 10 HD22 LEU 10 2.289 10.475 -2.749 62 HD23 LEU 10 HD23 LEU 10 3.858 11.021 -2.154 63 H LYS 11 H LYS 11 3.071 5.689 -4.767 64 HA LYS 11 HA LYS 11 2.903 3.657 -3.893 65 HB2 LYS 11 HB2 LYS 11 5.647 3.848 -4.746 66 HB3 LYS 11 HB3 LYS 11 5.485 2.775 -3.359 67 HG2 LYS 11 HG2 LYS 11 3.846 2.588 -5.874 68 HG3 LYS 11 HG3 LYS 11 5.274 1.625 -5.524 69 HD2 LYS 11 HD2 LYS 11 2.898 1.689 -3.684 70 HD3 LYS 11 HD3 LYS 11 3.000 0.564 -5.037 71 HE2 LYS 11 HE2 LYS 11 4.219 -0.817 -3.798 72 HE3 LYS 11 HE3 LYS 11 5.447 0.437 -3.610 73 HZ1 LYS 11 HZ1 LYS 11 3.028 0.328 -1.892 74 HZ2 LYS 11 HZ2 LYS 11 4.458 1.186 -1.628 75 HZ3 LYS 11 HZ3 LYS 11 4.451 -0.501 -1.500 76 H CYS 12 H CYS 12 2.364 2.949 -2.012 77 HA CYS 12 HA CYS 12 2.815 4.398 0.338 78 HB2 CYS 12 HB2 CYS 12 1.621 2.603 1.445 79 HB3 CYS 12 HB3 CYS 12 0.863 2.910 -0.115 80 HA PRO 13 HA PRO 13 6.530 2.898 2.200 81 HB2 PRO 13 HB2 PRO 13 5.635 2.048 4.676 82 HB3 PRO 13 HB3 PRO 13 5.998 3.719 4.249 83 HG2 PRO 13 HG2 PRO 13 3.368 2.324 4.336 84 HG3 PRO 13 HG3 PRO 13 3.788 3.964 4.866 85 HD2 PRO 13 HD2 PRO 13 2.525 3.542 2.550 86 HD3 PRO 13 HD3 PRO 13 3.770 4.799 2.698 87 H THR 14 H THR 14 3.740 0.780 2.305 88 HA THR 14 HA THR 14 5.009 -1.600 3.112 89 HB THR 14 HB THR 14 2.589 -1.386 1.314 90 HG1 THR 14 HG1 THR 14 1.465 -0.779 3.024 91 HG21 THR 14 HG21 THR 14 3.945 -3.576 2.676 92 HG22 THR 14 HG22 THR 14 2.726 -3.621 1.401 93 HG23 THR 14 HG23 THR 14 2.234 -3.468 3.089 94 HA PRO 15 HA PRO 15 7.520 -2.130 -0.543 95 HB2 PRO 15 HB2 PRO 15 8.184 -4.696 0.772 96 HB3 PRO 15 HB3 PRO 15 9.253 -3.395 0.242 97 HG2 PRO 15 HG2 PRO 15 8.775 -3.784 2.821 98 HG3 PRO 15 HG3 PRO 15 8.902 -2.145 2.156 99 HD2 PRO 15 HD2 PRO 15 6.445 -3.706 2.876 100 HD3 PRO 15 HD3 PRO 15 6.821 -1.995 3.177 101 H GLY 16 H GLY 16 5.774 -4.946 0.778 102 HA2 GLY 16 HA2 GLY 16 5.736 -6.253 -1.767 103 HA3 GLY 16 HA3 GLY 16 4.978 -6.827 -0.293 104 H CYS 17 H CYS 17 3.978 -3.716 -0.800 105 HA CYS 17 HA CYS 17 1.336 -4.541 -1.542 106 HB2 CYS 17 HB2 CYS 17 2.327 -2.495 -0.090 107 HB3 CYS 17 HB3 CYS 17 2.060 -1.679 -1.625 108 H ASP 18 H ASP 18 0.136 -3.621 -3.326 109 HA ASP 18 HA ASP 18 1.762 -3.351 -5.749 110 HB2 ASP 18 HB2 ASP 18 -0.030 -4.097 -6.977 111 HB3 ASP 18 HB3 ASP 18 -0.378 -4.895 -5.450 112 H GLY 19 H GLY 19 -0.529 -1.666 -3.708 113 HA2 GLY 19 HA2 GLY 19 -0.345 0.661 -3.347 114 HA3 GLY 19 HA3 GLY 19 0.362 0.828 -4.940 115 H SER 20 H SER 20 -2.021 -0.964 -5.890 116 HA SER 20 HA SER 20 -3.768 1.369 -6.226 117 HB2 SER 20 HB2 SER 20 -4.287 -0.816 -8.068 118 HB3 SER 20 HB3 SER 20 -3.851 0.858 -8.411 119 HG SER 20 HG SER 20 -2.124 -1.331 -7.856 120 H GLY 21 H GLY 21 -4.817 0.879 -4.165 121 HA2 GLY 21 HA2 GLY 21 -7.345 0.095 -4.381 122 HA3 GLY 21 HA3 GLY 21 -6.550 -1.447 -4.107 123 H HIS 22 H HIS 22 -8.226 -1.134 -2.308 124 HA HIS 22 HA HIS 22 -6.714 -0.506 0.100 125 HB2 HIS 22 HB2 HIS 22 -9.217 0.886 -0.698 126 HB3 HIS 22 HB3 HIS 22 -9.134 0.331 0.962 127 HD1 HIS 22 HD1 HIS 22 -8.500 2.159 2.451 128 HD2 HIS 22 HD2 HIS 22 -6.574 2.486 -1.225 129 HE1 HIS 22 HE1 HIS 22 -7.153 4.266 2.571 130 HE2 HIS 22 HE2 HIS 22 -6.229 4.580 0.248 131 H ILE 23 H ILE 23 -7.383 -1.810 1.872 132 HA ILE 23 HA ILE 23 -8.665 -4.263 1.178 133 HB ILE 23 HB ILE 23 -7.111 -3.295 3.348 134 HG12 ILE 23 HG12 ILE 23 -6.837 -5.396 2.037 135 HG13 ILE 23 HG13 ILE 23 -6.737 -5.633 3.779 136 HG21 ILE 23 HG21 ILE 23 -9.795 -4.326 4.206 137 HG22 ILE 23 HG22 ILE 23 -8.362 -4.497 5.220 138 HG23 ILE 23 HG23 ILE 23 -8.931 -2.891 4.758 139 HD11 ILE 23 HD11 ILE 23 -8.750 -6.589 1.840 140 HD12 ILE 23 HD12 ILE 23 -8.084 -7.372 3.275 141 HD13 ILE 23 HD13 ILE 23 -9.332 -6.136 3.444 142 H THR 24 H THR 24 -9.708 -1.214 2.420 143 HA THR 24 HA THR 24 -12.198 -2.053 3.496 144 HB THR 24 HB THR 24 -11.008 0.128 4.005 145 HG1 THR 24 HG1 THR 24 -13.230 -0.317 4.576 146 HG21 THR 24 HG21 THR 24 -12.007 1.975 2.384 147 HG22 THR 24 HG22 THR 24 -11.895 0.656 1.220 148 HG23 THR 24 HG23 THR 24 -10.452 1.203 2.072 149 H GLY 25 H GLY 25 -11.088 -1.649 0.282 150 HA2 GLY 25 HA2 GLY 25 -12.136 -1.967 -1.734 151 HA3 GLY 25 HA3 GLY 25 -13.491 -2.611 -0.822 152 H ASN 26 H ASN 26 -12.359 0.629 -0.287 153 HA ASN 26 HA ASN 26 -14.795 1.649 -1.593 154 HB2 ASN 26 HB2 ASN 26 -13.580 2.192 1.068 155 HB3 ASN 26 HB3 ASN 26 -14.344 3.540 0.241 156 HD21 ASN 26 HD21 ASN 26 -14.900 1.447 2.538 157 HD22 ASN 26 HD22 ASN 26 -16.595 1.179 2.344 158 H TYR 27 H TYR 27 -11.536 1.584 -1.874 159 HA TYR 27 HA TYR 27 -11.451 4.275 -3.061 160 HB2 TYR 27 HB2 TYR 27 -9.359 2.824 -1.445 161 HB3 TYR 27 HB3 TYR 27 -8.984 4.212 -2.446 162 HD1 TYR 27 HD1 TYR 27 -10.914 3.087 0.497 163 HD2 TYR 27 HD2 TYR 27 -9.468 6.428 -1.709 164 HE1 TYR 27 HE1 TYR 27 -11.561 4.577 2.339 165 HE2 TYR 27 HE2 TYR 27 -10.117 7.929 0.128 166 HH TYR 27 HH TYR 27 -11.639 7.986 2.024 167 H ALA 28 H ALA 28 -9.562 4.442 -4.647 168 HA ALA 28 HA ALA 28 -9.591 2.020 -6.321 169 HB1 ALA 28 HB1 ALA 28 -9.613 4.913 -6.911 170 HB2 ALA 28 HB2 ALA 28 -8.647 3.906 -7.988 171 HB3 ALA 28 HB3 ALA 28 -10.366 3.573 -7.774 172 H SER 29 H SER 29 -7.543 4.274 -4.642 173 HA SER 29 HA SER 29 -5.302 2.492 -4.927 174 HB2 SER 29 HB2 SER 29 -3.949 4.727 -5.634 175 HB3 SER 29 HB3 SER 29 -4.546 3.546 -6.800 176 HG SER 29 HG SER 29 -6.009 5.828 -5.934 177 H HIS 30 H HIS 30 -3.288 3.722 -3.860 178 HA HIS 30 HA HIS 30 -3.943 5.581 -1.784 179 HB2 HIS 30 HB2 HIS 30 -3.620 4.157 0.119 180 HB3 HIS 30 HB3 HIS 30 -4.807 3.373 -0.904 181 HD1 HIS 30 HD1 HIS 30 -3.707 1.452 -2.553 182 HD2 HIS 30 HD2 HIS 30 -1.601 2.507 0.874 183 HE1 HIS 30 HE1 HIS 30 -2.018 -0.384 -2.165 184 H ARG 31 H ARG 31 -1.960 6.033 -0.428 185 HA ARG 31 HA ARG 31 0.543 5.084 -1.597 186 HB2 ARG 31 HB2 ARG 31 1.299 7.594 -1.574 187 HB3 ARG 31 HB3 ARG 31 0.462 6.923 -2.967 188 HG2 ARG 31 HG2 ARG 31 -1.667 7.806 -1.725 189 HG3 ARG 31 HG3 ARG 31 -0.500 8.861 -0.924 190 HD2 ARG 31 HD2 ARG 31 -0.960 10.179 -2.705 191 HD3 ARG 31 HD3 ARG 31 0.303 9.195 -3.443 192 HE ARG 31 HE ARG 31 -1.366 7.967 -4.605 193 HH11 ARG 31 HH12 ARG 31 -2.643 10.687 -2.798 194 HH12 ARG 31 HH11 ARG 31 -4.109 10.782 -3.726 195 HH21 ARG 31 HH22 ARG 31 -3.296 8.091 -5.828 196 HH22 ARG 31 HH21 ARG 31 -4.490 9.292 -5.429 197 H SER 32 H SER 32 -0.999 5.094 1.045 198 HA SER 32 HA SER 32 1.357 5.611 2.669 199 HB2 SER 32 HB2 SER 32 -0.668 6.573 4.312 200 HB3 SER 32 HB3 SER 32 0.544 7.547 3.478 201 HG SER 32 HG SER 32 -1.997 7.740 3.162 202 H LEU 33 H LEU 33 1.066 4.723 4.918 203 HA LEU 33 HA LEU 33 -0.087 2.111 4.745 204 HB2 LEU 33 HB2 LEU 33 1.763 3.532 6.473 205 HB3 LEU 33 HB3 LEU 33 0.646 2.540 7.392 206 HG LEU 33 HG LEU 33 2.321 1.500 5.117 207 HD11 LEU 33 HD11 LEU 33 3.421 0.367 7.270 208 HD12 LEU 33 HD12 LEU 33 4.004 1.882 6.583 209 HD13 LEU 33 HD13 LEU 33 2.932 1.905 7.983 210 HD21 LEU 33 HD21 LEU 33 0.527 0.045 5.391 211 HD22 LEU 33 HD22 LEU 33 1.793 -0.670 6.392 212 HD23 LEU 33 HD23 LEU 33 0.495 0.259 7.143 213 H SER 34 H SER 34 -2.281 3.067 4.385 214 HA SER 34 HA SER 34 -3.661 3.293 6.968 215 HB2 SER 34 HB2 SER 34 -4.508 4.860 4.535 216 HB3 SER 34 HB3 SER 34 -5.050 5.061 6.200 217 HG SER 34 HG SER 34 -2.385 5.321 6.091 218 H GLY 35 H GLY 35 -3.895 2.545 3.511 219 HA2 GLY 35 HA2 GLY 35 -5.928 0.538 4.192 220 HA3 GLY 35 HA3 GLY 35 -6.250 1.685 2.900 221 H CYS 36 H CYS 36 -3.520 -0.375 3.872 222 HA CYS 36 HA CYS 36 -2.826 -0.956 1.151 223 HB2 CYS 36 HB2 CYS 36 -1.860 -1.918 3.836 224 HB3 CYS 36 HB3 CYS 36 -1.285 -2.654 2.337 225 HA PRO 37 HA PRO 37 -5.731 -4.390 0.930 226 HB2 PRO 37 HB2 PRO 37 -5.463 -4.842 -1.710 227 HB3 PRO 37 HB3 PRO 37 -6.396 -3.479 -1.086 228 HG2 PRO 37 HG2 PRO 37 -3.642 -3.529 -2.224 229 HG3 PRO 37 HG3 PRO 37 -4.917 -2.313 -2.417 230 HD2 PRO 37 HD2 PRO 37 -2.782 -2.083 -0.687 231 HD3 PRO 37 HD3 PRO 37 -4.322 -1.221 -0.509 232 H ARG 38 H ARG 38 -2.402 -4.257 -0.029 233 HA ARG 38 HA ARG 38 -2.193 -7.178 0.275 234 HB2 ARG 38 HB2 ARG 38 0.015 -5.658 -1.028 235 HB3 ARG 38 HB3 ARG 38 -0.520 -7.305 -1.299 236 HG2 ARG 38 HG2 ARG 38 -2.652 -5.839 -2.184 237 HG3 ARG 38 HG3 ARG 38 -1.272 -4.842 -2.647 238 HD2 ARG 38 HD2 ARG 38 -0.492 -6.369 -4.125 239 HD3 ARG 38 HD3 ARG 38 -1.047 -7.737 -3.164 240 HE ARG 38 HE ARG 38 -3.278 -6.362 -4.187 241 HH11 ARG 38 HH12 ARG 38 -0.639 -8.396 -5.276 242 HH12 ARG 38 HH11 ARG 38 -1.501 -8.991 -6.660 243 HH21 ARG 38 HH22 ARG 38 -4.416 -7.146 -6.015 244 HH22 ARG 38 HH21 ARG 38 -3.659 -8.312 -7.061 245 H ALA 39 H ALA 39 -2.370 -5.548 2.460 246 HA ALA 39 HA ALA 39 -0.018 -4.386 3.365 247 HB1 ALA 39 HB1 ALA 39 -1.017 -4.509 5.610 248 HB2 ALA 39 HB2 ALA 39 -2.120 -3.869 4.391 249 HB3 ALA 39 HB3 ALA 39 -2.296 -5.529 4.957 250 H LYS 40 H LYS 40 1.777 -5.530 3.226 251 HA LYS 40 HA LYS 40 3.435 -6.962 3.777 252 HB2 LYS 40 HB2 LYS 40 1.697 -7.229 6.229 253 HB3 LYS 40 HB3 LYS 40 3.253 -8.034 6.078 254 HG2 LYS 40 HG2 LYS 40 3.995 -6.174 7.097 255 HG3 LYS 40 HG3 LYS 40 3.983 -5.530 5.454 256 HD2 LYS 40 HD2 LYS 40 1.385 -5.162 6.371 257 HD3 LYS 40 HD3 LYS 40 2.406 -4.759 7.753 258 HE2 LYS 40 HE2 LYS 40 3.031 -2.836 6.823 259 HE3 LYS 40 HE3 LYS 40 3.481 -3.642 5.319 260 HZ1 LYS 40 HZ1 LYS 40 0.816 -2.580 6.090 261 HZ2 LYS 40 HZ2 LYS 40 1.050 -3.609 4.769 262 HZ3 LYS 40 HZ3 LYS 40 1.800 -2.096 4.792 263 H LYS 41 H LYS 41 2.956 -9.433 5.410 264 HA LYS 41 HA LYS 41 1.142 -11.106 4.016 265 HB2 LYS 41 HB2 LYS 41 3.522 -10.627 2.638 266 HB3 LYS 41 HB3 LYS 41 3.790 -12.175 3.427 267 HG2 LYS 41 HG2 LYS 41 2.715 -13.116 1.737 268 HG3 LYS 41 HG3 LYS 41 1.238 -12.373 2.351 269 HD2 LYS 41 HD2 LYS 41 2.620 -10.380 0.912 270 HD3 LYS 41 HD3 LYS 41 2.647 -11.841 -0.079 271 HE2 LYS 41 HE2 LYS 41 0.547 -11.439 -0.678 272 HE3 LYS 41 HE3 LYS 41 0.053 -11.641 1.003 273 HZ1 LYS 41 HZ1 LYS 41 0.775 -9.132 -0.394 274 HZ2 LYS 41 HZ2 LYS 41 0.676 -9.236 1.298 275 HZ3 LYS 41 HZ3 LYS 41 -0.700 -9.534 0.347 276 H SER 42 H SER 42 1.850 -13.531 4.520 277 HA SER 42 HA SER 42 2.035 -13.814 7.321 278 HB2 SER 42 HB2 SER 42 2.899 -16.100 5.650 279 HB3 SER 42 HB3 SER 42 1.655 -16.022 6.899 280 HG SER 42 HG SER 42 0.285 -14.998 5.395 281 H GLY 43 H GLY 43 4.385 -14.205 4.705 282 HA2 GLY 43 HA2 GLY 43 6.534 -13.934 6.719 283 HA3 GLY 43 HA3 GLY 43 6.741 -14.828 5.216 284 H LEU 44 H LEU 44 5.705 -11.629 6.346 285 HA LEU 44 HA LEU 44 5.993 -10.318 3.917 286 HB2 LEU 44 HB2 LEU 44 6.114 -8.232 5.371 287 HB3 LEU 44 HB3 LEU 44 4.694 -9.247 5.533 288 HG LEU 44 HG LEU 44 6.421 -10.232 7.468 289 HD11 LEU 44 HD11 LEU 44 6.809 -7.990 8.723 290 HD12 LEU 44 HD12 LEU 44 7.968 -8.532 7.508 291 HD13 LEU 44 HD13 LEU 44 6.780 -7.295 7.104 292 HD21 LEU 44 HD21 LEU 44 4.715 -9.744 8.881 293 HD22 LEU 44 HD22 LEU 44 4.504 -8.115 8.241 294 HD23 LEU 44 HD23 LEU 44 3.865 -9.498 7.354 295 H ARG 45 H ARG 45 7.615 -9.472 2.829 296 HA ARG 45 HA ARG 45 9.688 -8.821 2.197 297 HB2 ARG 45 HB2 ARG 45 9.290 -7.736 4.793 298 HB3 ARG 45 HB3 ARG 45 10.964 -8.265 4.686 299 HG2 ARG 45 HG2 ARG 45 10.969 -6.988 2.437 300 HG3 ARG 45 HG3 ARG 45 9.530 -6.195 3.081 301 HD2 ARG 45 HD2 ARG 45 11.840 -5.113 3.480 302 HD3 ARG 45 HD3 ARG 45 10.699 -5.205 4.821 303 HE ARG 45 HE ARG 45 12.011 -6.910 5.793 304 HH11 ARG 45 HH12 ARG 45 13.422 -5.581 2.876 305 HH12 ARG 45 HH11 ARG 45 14.995 -6.260 3.175 306 HH21 ARG 45 HH22 ARG 45 14.072 -7.801 6.197 307 HH22 ARG 45 HH21 ARG 45 15.381 -7.469 5.097 308 H VAL 46 H VAL 46 9.167 -11.630 3.162 309 HA VAL 46 HA VAL 46 11.982 -12.396 3.582 310 HB VAL 46 HB VAL 46 9.580 -14.115 4.223 311 HG11 VAL 46 HG11 VAL 46 12.326 -14.684 3.978 312 HG12 VAL 46 HG12 VAL 46 11.952 -14.720 5.701 313 HG13 VAL 46 HG13 VAL 46 11.050 -15.741 4.582 314 HG21 VAL 46 HG21 VAL 46 11.049 -13.230 6.535 315 HG22 VAL 46 HG22 VAL 46 10.408 -11.855 5.637 316 HG23 VAL 46 HG23 VAL 46 9.322 -13.128 6.196 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 17.983 -10.648 9.220 2 H2 GLY 1 H2 GLY 1 18.268 -9.001 8.957 3 H3 GLY 1 H3 GLY 1 19.058 -10.157 8.001 4 HA2 GLY 1 HA3 GLY 1 17.379 -9.414 6.610 5 HA3 GLY 1 HA2 GLY 1 16.735 -10.899 7.300 6 H SER 2 H SER 2 14.769 -9.638 6.464 7 HA SER 2 HA SER 2 12.842 -8.504 6.857 8 HB2 SER 2 HB2 SER 2 13.310 -8.781 9.806 9 HB3 SER 2 HB3 SER 2 11.811 -8.957 8.896 10 HG SER 2 HG SER 2 12.992 -10.856 7.908 11 H MET 3 H MET 3 13.867 -6.536 6.067 12 HA MET 3 HA MET 3 14.177 -4.529 8.207 13 HB2 MET 3 HB2 MET 3 16.318 -4.740 7.247 14 HB3 MET 3 HB3 MET 3 15.672 -4.890 5.619 15 HG2 MET 3 HG2 MET 3 15.050 -2.348 6.932 16 HG3 MET 3 HG3 MET 3 16.769 -2.641 6.680 17 HE1 MET 3 HE1 MET 3 17.339 -1.607 3.197 18 HE2 MET 3 HE2 MET 3 17.495 -0.989 4.842 19 HE3 MET 3 HE3 MET 3 17.965 -2.647 4.477 20 H ALA 4 H ALA 4 12.915 -2.761 8.097 21 HA ALA 4 HA ALA 4 11.323 -2.369 5.646 22 HB1 ALA 4 HB1 ALA 4 10.224 -1.322 8.172 23 HB2 ALA 4 HB2 ALA 4 9.414 -2.122 6.824 24 HB3 ALA 4 HB3 ALA 4 10.274 -3.079 8.030 25 H ALA 5 H ALA 5 12.506 -0.796 4.679 26 HA ALA 5 HA ALA 5 13.248 1.556 6.277 27 HB1 ALA 5 HB1 ALA 5 14.220 0.909 3.506 28 HB2 ALA 5 HB2 ALA 5 14.925 2.018 4.682 29 HB3 ALA 5 HB3 ALA 5 14.992 0.277 4.960 30 H HIS 6 H HIS 6 13.058 3.667 5.221 31 HA HIS 6 HA HIS 6 10.815 3.813 3.320 32 HB2 HIS 6 HB2 HIS 6 10.191 4.433 5.708 33 HB3 HIS 6 HB3 HIS 6 11.280 5.806 5.547 34 HD1 HIS 6 HD1 HIS 6 9.076 7.243 5.995 35 HD2 HIS 6 HD2 HIS 6 9.187 5.178 2.386 36 HE1 HIS 6 HE1 HIS 6 7.312 8.305 4.549 37 HE2 HIS 6 HE2 HIS 6 7.501 7.145 2.316 38 H SER 7 H SER 7 13.139 3.731 2.202 39 HA SER 7 HA SER 7 14.332 6.376 1.998 40 HB2 SER 7 HB2 SER 7 15.285 4.352 0.114 41 HB3 SER 7 HB3 SER 7 16.183 5.276 1.323 42 HG SER 7 HG SER 7 15.341 3.797 2.909 43 H ALA 8 H ALA 8 12.271 4.192 0.236 44 HA ALA 8 HA ALA 8 12.109 6.068 -2.016 45 HB1 ALA 8 HB1 ALA 8 12.431 3.774 -2.683 46 HB2 ALA 8 HB2 ALA 8 11.052 3.261 -1.710 47 HB3 ALA 8 HB3 ALA 8 10.800 4.281 -3.124 48 H ASP 9 H ASP 9 10.023 6.771 -2.736 49 HA ASP 9 HA ASP 9 7.732 6.414 -1.007 50 HB2 ASP 9 HB2 ASP 9 9.394 8.291 -0.089 51 HB3 ASP 9 HB3 ASP 9 8.576 9.267 -1.302 52 H LEU 10 H LEU 10 8.176 5.804 -3.641 53 HA LEU 10 HA LEU 10 6.891 7.836 -5.282 54 HB2 LEU 10 HB2 LEU 10 7.118 6.240 -7.106 55 HB3 LEU 10 HB3 LEU 10 8.650 6.440 -6.278 56 HG LEU 10 HG LEU 10 7.113 4.220 -5.198 57 HD11 LEU 10 HD11 LEU 10 6.322 3.361 -7.093 58 HD12 LEU 10 HD12 LEU 10 7.217 4.515 -8.082 59 HD13 LEU 10 HD13 LEU 10 8.000 3.035 -7.529 60 HD21 LEU 10 HD21 LEU 10 9.227 3.063 -5.490 61 HD22 LEU 10 HD22 LEU 10 9.839 4.389 -6.476 62 HD23 LEU 10 HD23 LEU 10 9.492 4.649 -4.766 63 H LYS 11 H LYS 11 6.188 4.948 -3.519 64 HA LYS 11 HA LYS 11 3.346 5.432 -3.941 65 HB2 LYS 11 HB2 LYS 11 2.858 3.092 -4.229 66 HB3 LYS 11 HB3 LYS 11 4.053 3.562 -5.424 67 HG2 LYS 11 HG2 LYS 11 5.771 2.410 -4.344 68 HG3 LYS 11 HG3 LYS 11 4.857 2.285 -2.836 69 HD2 LYS 11 HD2 LYS 11 3.176 1.017 -4.492 70 HD3 LYS 11 HD3 LYS 11 4.704 0.663 -5.299 71 HE2 LYS 11 HE2 LYS 11 3.952 -1.040 -3.609 72 HE3 LYS 11 HE3 LYS 11 5.579 -0.406 -3.380 73 HZ1 LYS 11 HZ1 LYS 11 4.764 1.040 -1.652 74 HZ2 LYS 11 HZ2 LYS 11 4.323 -0.554 -1.303 75 HZ3 LYS 11 HZ3 LYS 11 3.167 0.530 -1.904 76 H CYS 12 H CYS 12 2.697 3.118 -2.303 77 HA CYS 12 HA CYS 12 2.892 4.375 0.231 78 HB2 CYS 12 HB2 CYS 12 1.629 2.303 0.961 79 HB3 CYS 12 HB3 CYS 12 0.868 3.274 -0.293 80 HA PRO 13 HA PRO 13 6.266 2.492 2.244 81 HB2 PRO 13 HB2 PRO 13 4.520 1.453 4.403 82 HB3 PRO 13 HB3 PRO 13 5.858 2.595 4.494 83 HG2 PRO 13 HG2 PRO 13 3.352 3.424 4.749 84 HG3 PRO 13 HG3 PRO 13 4.549 4.395 3.869 85 HD2 PRO 13 HD2 PRO 13 2.390 2.618 2.799 86 HD3 PRO 13 HD3 PRO 13 2.918 4.216 2.231 87 H THR 14 H THR 14 3.466 0.286 2.242 88 HA THR 14 HA THR 14 4.867 -2.028 2.949 89 HB THR 14 HB THR 14 2.409 -2.038 1.216 90 HG1 THR 14 HG1 THR 14 1.331 -1.151 2.810 91 HG21 THR 14 HG21 THR 14 1.950 -4.119 2.161 92 HG22 THR 14 HG22 THR 14 3.005 -3.834 3.547 93 HG23 THR 14 HG23 THR 14 3.702 -4.164 1.960 94 HA PRO 15 HA PRO 15 7.200 -2.672 -0.786 95 HB2 PRO 15 HB2 PRO 15 7.978 -5.168 0.586 96 HB3 PRO 15 HB3 PRO 15 8.989 -3.844 0.005 97 HG2 PRO 15 HG2 PRO 15 8.590 -4.191 2.603 98 HG3 PRO 15 HG3 PRO 15 8.634 -2.561 1.901 99 HD2 PRO 15 HD2 PRO 15 6.250 -4.223 2.666 100 HD3 PRO 15 HD3 PRO 15 6.573 -2.506 2.998 101 H GLY 16 H GLY 16 5.187 -5.166 0.707 102 HA2 GLY 16 HA2 GLY 16 5.126 -6.751 -1.703 103 HA3 GLY 16 HA3 GLY 16 4.280 -7.097 -0.203 104 H CYS 17 H CYS 17 3.742 -3.943 -1.004 105 HA CYS 17 HA CYS 17 1.107 -4.580 -2.117 106 HB2 CYS 17 HB2 CYS 17 1.352 -3.222 0.003 107 HB3 CYS 17 HB3 CYS 17 2.095 -1.963 -0.968 108 H ASP 18 H ASP 18 0.295 -2.715 -3.596 109 HA ASP 18 HA ASP 18 2.445 -2.023 -5.492 110 HB2 ASP 18 HB2 ASP 18 1.227 -2.697 -7.315 111 HB3 ASP 18 HB3 ASP 18 0.621 -3.846 -6.128 112 H GLY 19 H GLY 19 -0.060 -0.935 -3.513 113 HA2 GLY 19 HA2 GLY 19 -0.275 1.343 -2.950 114 HA3 GLY 19 HA3 GLY 19 0.372 1.771 -4.523 115 H SER 20 H SER 20 -1.846 -0.492 -5.248 116 HA SER 20 HA SER 20 -3.924 1.551 -5.627 117 HB2 SER 20 HB2 SER 20 -3.882 -1.031 -7.145 118 HB3 SER 20 HB3 SER 20 -4.506 0.543 -7.639 119 HG SER 20 HG SER 20 -1.897 -0.464 -7.707 120 H GLY 21 H GLY 21 -6.152 0.893 -5.432 121 HA2 GLY 21 HA2 GLY 21 -7.909 -0.267 -4.486 122 HA3 GLY 21 HA3 GLY 21 -6.809 -1.592 -4.140 123 H HIS 22 H HIS 22 -8.165 -1.573 -2.160 124 HA HIS 22 HA HIS 22 -6.679 -0.337 -0.029 125 HB2 HIS 22 HB2 HIS 22 -9.379 0.656 -0.729 126 HB3 HIS 22 HB3 HIS 22 -9.143 0.266 0.964 127 HD1 HIS 22 HD1 HIS 22 -8.415 2.162 2.317 128 HD2 HIS 22 HD2 HIS 22 -7.201 2.580 -1.631 129 HE1 HIS 22 HE1 HIS 22 -7.332 4.411 2.186 130 HE2 HIS 22 HE2 HIS 22 -6.809 4.741 -0.254 131 H ILE 23 H ILE 23 -7.280 -1.248 2.069 132 HA ILE 23 HA ILE 23 -8.035 -4.002 1.907 133 HB ILE 23 HB ILE 23 -6.999 -2.211 3.953 134 HG12 ILE 23 HG12 ILE 23 -5.775 -4.110 3.027 135 HG13 ILE 23 HG13 ILE 23 -5.971 -4.285 4.767 136 HG21 ILE 23 HG21 ILE 23 -7.920 -3.475 5.894 137 HG22 ILE 23 HG22 ILE 23 -9.082 -2.424 5.087 138 HG23 ILE 23 HG23 ILE 23 -9.123 -4.164 4.805 139 HD11 ILE 23 HD11 ILE 23 -6.728 -6.324 4.379 140 HD12 ILE 23 HD12 ILE 23 -8.166 -5.592 3.663 141 HD13 ILE 23 HD13 ILE 23 -6.798 -6.031 2.640 142 H THR 24 H THR 24 -9.640 -0.997 2.557 143 HA THR 24 HA THR 24 -12.100 -2.191 3.453 144 HB THR 24 HB THR 24 -11.223 0.153 4.055 145 HG1 THR 24 HG1 THR 24 -13.527 -0.826 4.179 146 HG21 THR 24 HG21 THR 24 -11.358 1.881 2.593 147 HG22 THR 24 HG22 THR 24 -12.727 1.185 1.724 148 HG23 THR 24 HG23 THR 24 -11.094 0.587 1.425 149 H GLY 25 H GLY 25 -10.612 -1.814 0.466 150 HA2 GLY 25 HA2 GLY 25 -11.298 -2.174 -1.688 151 HA3 GLY 25 HA3 GLY 25 -12.681 -2.982 -0.971 152 H ASN 26 H ASN 26 -12.295 0.330 -0.169 153 HA ASN 26 HA ASN 26 -14.636 0.922 -1.831 154 HB2 ASN 26 HB2 ASN 26 -13.672 1.859 0.831 155 HB3 ASN 26 HB3 ASN 26 -14.648 2.966 -0.129 156 HD21 ASN 26 HD21 ASN 26 -15.293 1.738 2.387 157 HD22 ASN 26 HD22 ASN 26 -16.727 0.801 2.131 158 H TYR 27 H TYR 27 -11.429 1.370 -2.080 159 HA TYR 27 HA TYR 27 -11.734 3.967 -3.406 160 HB2 TYR 27 HB2 TYR 27 -9.450 3.070 -1.644 161 HB3 TYR 27 HB3 TYR 27 -9.453 4.530 -2.610 162 HD1 TYR 27 HD2 TYR 27 -10.950 2.866 0.308 163 HD2 TYR 27 HD1 TYR 27 -10.625 6.495 -1.886 164 HE1 TYR 27 HE2 TYR 27 -11.997 4.077 2.167 165 HE2 TYR 27 HE1 TYR 27 -11.667 7.721 -0.026 166 HH TYR 27 HH TYR 27 -13.258 6.162 2.531 167 H ALA 28 H ALA 28 -10.259 4.369 -5.116 168 HA ALA 28 HA ALA 28 -9.684 2.026 -6.668 169 HB1 ALA 28 HB1 ALA 28 -10.305 4.604 -7.283 170 HB2 ALA 28 HB2 ALA 28 -8.576 4.560 -7.620 171 HB3 ALA 28 HB3 ALA 28 -9.659 3.421 -8.419 172 H SER 29 H SER 29 -7.739 4.420 -4.917 173 HA SER 29 HA SER 29 -5.516 2.581 -4.842 174 HB2 SER 29 HB2 SER 29 -4.253 4.935 -5.709 175 HB3 SER 29 HB3 SER 29 -4.390 3.419 -6.594 176 HG SER 29 HG SER 29 -5.772 4.317 -7.896 177 H HIS 30 H HIS 30 -3.603 3.651 -3.686 178 HA HIS 30 HA HIS 30 -4.381 5.792 -1.867 179 HB2 HIS 30 HB2 HIS 30 -3.542 4.516 0.091 180 HB3 HIS 30 HB3 HIS 30 -4.999 3.822 -0.603 181 HD1 HIS 30 HD1 HIS 30 -4.660 1.527 -1.962 182 HD2 HIS 30 HD2 HIS 30 -1.356 2.908 0.164 183 HE1 HIS 30 HE1 HIS 30 -3.009 -0.392 -1.865 184 H ARG 31 H ARG 31 -2.211 5.833 -0.219 185 HA ARG 31 HA ARG 31 0.173 5.685 -1.897 186 HB2 ARG 31 HB2 ARG 31 -1.216 8.152 -1.156 187 HB3 ARG 31 HB3 ARG 31 0.492 8.150 -0.728 188 HG2 ARG 31 HG2 ARG 31 -0.588 7.519 -3.461 189 HG3 ARG 31 HG3 ARG 31 0.023 9.096 -2.956 190 HD2 ARG 31 HD2 ARG 31 1.752 6.707 -2.561 191 HD3 ARG 31 HD3 ARG 31 1.564 7.348 -4.193 192 HE ARG 31 HE ARG 31 2.944 8.592 -1.963 193 HH11 ARG 31 HH12 ARG 31 1.541 9.006 -5.150 194 HH12 ARG 31 HH11 ARG 31 2.448 10.451 -5.503 195 HH21 ARG 31 HH22 ARG 31 4.146 10.464 -2.415 196 HH22 ARG 31 HH21 ARG 31 3.944 11.286 -3.941 197 H SER 32 H SER 32 -1.334 5.438 1.080 198 HA SER 32 HA SER 32 1.264 5.247 2.450 199 HB2 SER 32 HB2 SER 32 -0.887 6.063 4.222 200 HB3 SER 32 HB3 SER 32 0.673 6.833 3.937 201 HG SER 32 HG SER 32 -1.623 7.109 2.271 202 H LEU 33 H LEU 33 0.950 4.090 4.664 203 HA LEU 33 HA LEU 33 -0.210 1.537 4.157 204 HB2 LEU 33 HB2 LEU 33 1.560 2.756 6.083 205 HB3 LEU 33 HB3 LEU 33 0.387 1.728 6.883 206 HG LEU 33 HG LEU 33 2.011 0.755 4.559 207 HD11 LEU 33 HD11 LEU 33 3.609 1.496 6.201 208 HD12 LEU 33 HD12 LEU 33 2.720 0.682 7.487 209 HD13 LEU 33 HD13 LEU 33 3.525 -0.265 6.236 210 HD21 LEU 33 HD21 LEU 33 -0.116 -0.308 6.029 211 HD22 LEU 33 HD22 LEU 33 0.921 -1.155 4.880 212 HD23 LEU 33 HD23 LEU 33 1.324 -1.154 6.598 213 H SER 34 H SER 34 -1.983 3.951 4.403 214 HA SER 34 HA SER 34 -3.606 3.407 6.730 215 HB2 SER 34 HB2 SER 34 -4.664 5.178 4.635 216 HB3 SER 34 HB3 SER 34 -4.452 5.480 6.361 217 HG SER 34 HG SER 34 -2.488 6.252 6.007 218 H GLY 35 H GLY 35 -3.408 2.380 3.463 219 HA2 GLY 35 HA2 GLY 35 -5.896 0.889 3.774 220 HA3 GLY 35 HA3 GLY 35 -5.842 2.055 2.466 221 H CYS 36 H CYS 36 -3.046 0.196 3.441 222 HA CYS 36 HA CYS 36 -2.635 -0.850 0.833 223 HB2 CYS 36 HB2 CYS 36 -1.414 -1.372 3.531 224 HB3 CYS 36 HB3 CYS 36 -1.003 -2.394 2.159 225 HA PRO 37 HA PRO 37 -5.517 -4.283 1.453 226 HB2 PRO 37 HB2 PRO 37 -5.609 -5.080 -1.115 227 HB3 PRO 37 HB3 PRO 37 -6.477 -3.645 -0.555 228 HG2 PRO 37 HG2 PRO 37 -3.892 -3.843 -2.033 229 HG3 PRO 37 HG3 PRO 37 -5.212 -2.677 -2.234 230 HD2 PRO 37 HD2 PRO 37 -2.886 -2.177 -0.844 231 HD3 PRO 37 HD3 PRO 37 -4.418 -1.325 -0.577 232 H ARG 38 H ARG 38 -2.294 -4.139 0.542 233 HA ARG 38 HA ARG 38 -2.001 -7.065 0.644 234 HB2 ARG 38 HB2 ARG 38 0.137 -5.194 -0.335 235 HB3 ARG 38 HB3 ARG 38 -0.054 -6.910 -0.656 236 HG2 ARG 38 HG2 ARG 38 -2.342 -5.821 -1.715 237 HG3 ARG 38 HG3 ARG 38 -1.110 -4.609 -2.076 238 HD2 ARG 38 HD2 ARG 38 -0.093 -5.921 -3.572 239 HD3 ARG 38 HD3 ARG 38 -0.232 -7.349 -2.547 240 HE ARG 38 HE ARG 38 -2.645 -7.365 -3.343 241 HH11 ARG 38 HH12 ARG 38 0.027 -6.199 -5.284 242 HH12 ARG 38 HH11 ARG 38 -0.773 -6.509 -6.797 243 HH21 ARG 38 HH22 ARG 38 -3.682 -7.808 -5.319 244 HH22 ARG 38 HH21 ARG 38 -2.875 -7.451 -6.820 245 H ALA 39 H ALA 39 -2.421 -5.480 2.923 246 HA ALA 39 HA ALA 39 -0.165 -4.622 4.287 247 HB1 ALA 39 HB1 ALA 39 -2.702 -4.521 4.897 248 HB2 ALA 39 HB2 ALA 39 -2.357 -6.027 5.748 249 HB3 ALA 39 HB3 ALA 39 -1.487 -4.553 6.176 250 H LYS 40 H LYS 40 1.548 -5.638 5.047 251 HA LYS 40 HA LYS 40 1.900 -8.394 4.593 252 HB2 LYS 40 HB2 LYS 40 4.128 -8.007 5.765 253 HB3 LYS 40 HB3 LYS 40 3.811 -7.079 4.306 254 HG2 LYS 40 HG2 LYS 40 3.038 -5.217 5.873 255 HG3 LYS 40 HG3 LYS 40 3.807 -6.150 7.158 256 HD2 LYS 40 HD2 LYS 40 5.716 -6.102 5.171 257 HD3 LYS 40 HD3 LYS 40 4.991 -4.496 5.076 258 HE2 LYS 40 HE2 LYS 40 5.887 -5.709 7.674 259 HE3 LYS 40 HE3 LYS 40 6.973 -4.784 6.641 260 HZ1 LYS 40 HZ1 LYS 40 6.202 -3.154 8.005 261 HZ2 LYS 40 HZ2 LYS 40 4.680 -3.869 8.207 262 HZ3 LYS 40 HZ3 LYS 40 5.040 -3.048 6.768 263 H LYS 41 H LYS 41 -0.168 -8.473 6.214 264 HA LYS 41 HA LYS 41 -1.056 -9.410 8.085 265 HB2 LYS 41 HB2 LYS 41 1.437 -10.964 7.508 266 HB3 LYS 41 HB3 LYS 41 0.432 -11.400 8.884 267 HG2 LYS 41 HG2 LYS 41 -0.731 -11.109 6.141 268 HG3 LYS 41 HG3 LYS 41 0.042 -12.606 6.664 269 HD2 LYS 41 HD2 LYS 41 -1.594 -13.076 8.200 270 HD3 LYS 41 HD3 LYS 41 -2.011 -11.376 8.435 271 HE2 LYS 41 HE2 LYS 41 -2.663 -11.752 5.816 272 HE3 LYS 41 HE3 LYS 41 -3.041 -13.329 6.507 273 HZ1 LYS 41 HZ1 LYS 41 -4.426 -12.219 8.163 274 HZ2 LYS 41 HZ2 LYS 41 -4.954 -11.883 6.585 275 HZ3 LYS 41 HZ3 LYS 41 -4.084 -10.713 7.455 276 H SER 42 H SER 42 1.623 -10.546 9.726 277 HA SER 42 HA SER 42 1.098 -8.960 12.005 278 HB2 SER 42 HB2 SER 42 3.636 -10.523 11.600 279 HB3 SER 42 HB3 SER 42 2.721 -10.266 13.088 280 HG SER 42 HG SER 42 0.988 -11.464 11.756 281 H GLY 43 H GLY 43 1.677 -6.956 12.355 282 HA2 GLY 43 HA2 GLY 43 2.979 -5.061 12.445 283 HA3 GLY 43 HA3 GLY 43 4.332 -6.010 11.843 284 H LEU 44 H LEU 44 1.138 -5.322 10.406 285 HA LEU 44 HA LEU 44 2.198 -4.847 7.827 286 HB2 LEU 44 HB2 LEU 44 -0.102 -3.464 7.698 287 HB3 LEU 44 HB3 LEU 44 -0.003 -5.203 7.527 288 HG LEU 44 HG LEU 44 -0.317 -4.915 10.239 289 HD11 LEU 44 HD11 LEU 44 -1.454 -2.564 8.874 290 HD12 LEU 44 HD12 LEU 44 -2.517 -3.388 10.015 291 HD13 LEU 44 HD13 LEU 44 -0.953 -2.774 10.552 292 HD21 LEU 44 HD21 LEU 44 -1.497 -6.564 9.061 293 HD22 LEU 44 HD22 LEU 44 -2.740 -5.485 9.697 294 HD23 LEU 44 HD23 LEU 44 -2.264 -5.380 8.001 295 H ARG 45 H ARG 45 1.359 -2.778 10.518 296 HA ARG 45 HA ARG 45 3.096 -0.710 9.356 297 HB2 ARG 45 HB2 ARG 45 0.844 -0.007 11.227 298 HB3 ARG 45 HB3 ARG 45 1.788 1.062 10.202 299 HG2 ARG 45 HG2 ARG 45 0.686 0.234 8.235 300 HG3 ARG 45 HG3 ARG 45 -0.171 -0.984 9.186 301 HD2 ARG 45 HD2 ARG 45 -0.457 1.845 10.017 302 HD3 ARG 45 HD3 ARG 45 -1.263 1.356 8.527 303 HE ARG 45 HE ARG 45 -1.728 0.118 11.167 304 HH11 ARG 45 HH12 ARG 45 -2.804 1.011 7.958 305 HH12 ARG 45 HH11 ARG 45 -4.464 0.566 8.246 306 HH21 ARG 45 HH22 ARG 45 -3.877 -0.540 11.537 307 HH22 ARG 45 HH21 ARG 45 -5.070 -0.339 10.290 308 H VAL 46 H VAL 46 1.456 -0.861 12.462 309 HA VAL 46 HA VAL 46 3.862 -1.812 13.786 310 HB VAL 46 HB VAL 46 2.925 0.187 15.526 311 HG11 VAL 46 HG11 VAL 46 5.119 0.085 15.818 312 HG12 VAL 46 HG12 VAL 46 5.368 -0.614 14.218 313 HG13 VAL 46 HG13 VAL 46 5.284 1.137 14.414 314 HG21 VAL 46 HG21 VAL 46 3.578 2.192 13.957 315 HG22 VAL 46 HG22 VAL 46 2.969 1.117 12.696 316 HG23 VAL 46 HG23 VAL 46 1.919 1.599 14.029 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 10.731 13.383 1.521 2 H2 GLY 1 H2 GLY 1 10.065 11.830 1.380 3 H3 GLY 1 H3 GLY 1 11.654 12.024 1.932 4 HA2 GLY 1 HA3 GLY 1 9.632 11.626 3.567 5 HA3 GLY 1 HA2 GLY 1 11.044 12.574 4.013 6 H SER 2 H SER 2 8.403 13.444 1.803 7 HA SER 2 HA SER 2 8.051 15.920 3.281 8 HB2 SER 2 HB2 SER 2 6.324 15.221 0.948 9 HB3 SER 2 HB3 SER 2 7.046 16.767 1.388 10 HG SER 2 HG SER 2 7.930 15.523 -0.503 11 H MET 3 H MET 3 5.850 13.378 2.054 12 HA MET 3 HA MET 3 3.841 14.204 3.975 13 HB2 MET 3 HB2 MET 3 3.424 13.443 1.547 14 HB3 MET 3 HB3 MET 3 3.635 11.811 2.167 15 HG2 MET 3 HG2 MET 3 1.445 11.867 2.547 16 HG3 MET 3 HG3 MET 3 1.854 12.859 3.944 17 HE1 MET 3 HE1 MET 3 1.156 15.716 3.966 18 HE2 MET 3 HE2 MET 3 -0.529 15.502 3.493 19 HE3 MET 3 HE3 MET 3 0.278 14.271 4.462 20 H ALA 4 H ALA 4 5.477 11.130 3.205 21 HA ALA 4 HA ALA 4 5.144 10.377 6.039 22 HB1 ALA 4 HB1 ALA 4 3.937 9.136 3.865 23 HB2 ALA 4 HB2 ALA 4 5.307 8.097 4.261 24 HB3 ALA 4 HB3 ALA 4 4.105 8.479 5.494 25 H ALA 5 H ALA 5 6.651 8.313 6.410 26 HA ALA 5 HA ALA 5 9.344 9.205 5.957 27 HB1 ALA 5 HB1 ALA 5 9.982 7.610 7.474 28 HB2 ALA 5 HB2 ALA 5 8.298 7.828 7.951 29 HB3 ALA 5 HB3 ALA 5 8.758 6.457 6.941 30 H HIS 6 H HIS 6 9.345 9.238 3.671 31 HA HIS 6 HA HIS 6 10.129 6.731 2.438 32 HB2 HIS 6 HB2 HIS 6 7.452 7.650 2.249 33 HB3 HIS 6 HB3 HIS 6 8.205 7.969 0.690 34 HD1 HIS 6 HD1 HIS 6 9.609 5.005 2.324 35 HD2 HIS 6 HD2 HIS 6 6.408 5.871 -0.192 36 HE1 HIS 6 HE1 HIS 6 8.842 2.791 1.406 37 HE2 HIS 6 HE2 HIS 6 6.818 3.330 0.003 38 H SER 7 H SER 7 11.476 7.067 0.702 39 HA SER 7 HA SER 7 12.584 9.675 0.367 40 HB2 SER 7 HB2 SER 7 13.169 7.687 -1.722 41 HB3 SER 7 HB3 SER 7 14.272 8.575 -0.670 42 HG SER 7 HG SER 7 13.582 7.091 1.033 43 H ALA 8 H ALA 8 10.294 7.669 -1.352 44 HA ALA 8 HA ALA 8 9.512 10.011 -2.932 45 HB1 ALA 8 HB1 ALA 8 10.554 8.943 -4.672 46 HB2 ALA 8 HB2 ALA 8 10.293 7.339 -3.988 47 HB3 ALA 8 HB3 ALA 8 8.961 8.193 -4.771 48 H ASP 9 H ASP 9 7.278 10.027 -3.505 49 HA ASP 9 HA ASP 9 5.649 8.200 -1.856 50 HB2 ASP 9 HB2 ASP 9 5.800 10.773 -1.361 51 HB3 ASP 9 HB3 ASP 9 4.710 10.918 -2.734 52 H LEU 10 H LEU 10 6.447 7.503 -4.423 53 HA LEU 10 HA LEU 10 4.110 7.899 -6.138 54 HB2 LEU 10 HB2 LEU 10 6.603 6.246 -6.579 55 HB3 LEU 10 HB3 LEU 10 5.326 6.493 -7.756 56 HG LEU 10 HG LEU 10 7.031 8.711 -6.629 57 HD11 LEU 10 HD11 LEU 10 7.565 6.753 -8.702 58 HD12 LEU 10 HD12 LEU 10 7.647 8.412 -9.297 59 HD13 LEU 10 HD13 LEU 10 8.647 7.913 -7.933 60 HD21 LEU 10 HD21 LEU 10 4.602 8.940 -7.771 61 HD22 LEU 10 HD22 LEU 10 5.872 10.153 -7.919 62 HD23 LEU 10 HD23 LEU 10 5.625 8.972 -9.207 63 H LYS 11 H LYS 11 5.507 5.743 -3.893 64 HA LYS 11 HA LYS 11 3.232 3.950 -4.169 65 HB2 LYS 11 HB2 LYS 11 6.139 3.307 -4.036 66 HB3 LYS 11 HB3 LYS 11 5.040 2.267 -3.137 67 HG2 LYS 11 HG2 LYS 11 4.797 2.887 -6.069 68 HG3 LYS 11 HG3 LYS 11 5.541 1.435 -5.399 69 HD2 LYS 11 HD2 LYS 11 3.121 1.503 -4.120 70 HD3 LYS 11 HD3 LYS 11 2.722 2.128 -5.722 71 HE2 LYS 11 HE2 LYS 11 2.463 -0.125 -6.063 72 HE3 LYS 11 HE3 LYS 11 4.146 0.092 -6.541 73 HZ1 LYS 11 HZ1 LYS 11 4.882 -1.098 -4.802 74 HZ2 LYS 11 HZ2 LYS 11 3.321 -1.748 -4.797 75 HZ3 LYS 11 HZ3 LYS 11 3.715 -0.490 -3.730 76 H CYS 12 H CYS 12 3.155 2.611 -2.090 77 HA CYS 12 HA CYS 12 3.091 4.445 0.154 78 HB2 CYS 12 HB2 CYS 12 1.659 2.790 1.188 79 HB3 CYS 12 HB3 CYS 12 1.123 3.016 -0.474 80 HA PRO 13 HA PRO 13 6.433 2.686 2.507 81 HB2 PRO 13 HB2 PRO 13 5.272 1.716 4.804 82 HB3 PRO 13 HB3 PRO 13 5.604 3.422 4.506 83 HG2 PRO 13 HG2 PRO 13 3.048 1.912 4.155 84 HG3 PRO 13 HG3 PRO 13 3.315 3.509 4.883 85 HD2 PRO 13 HD2 PRO 13 2.394 3.281 2.394 86 HD3 PRO 13 HD3 PRO 13 3.571 4.544 2.816 87 H THR 14 H THR 14 3.671 0.641 2.002 88 HA THR 14 HA THR 14 4.915 -1.789 2.859 89 HB THR 14 HB THR 14 2.372 -1.330 1.295 90 HG1 THR 14 HG1 THR 14 1.486 -1.005 3.203 91 HG21 THR 14 HG21 THR 14 3.173 -3.597 0.945 92 HG22 THR 14 HG22 THR 14 1.771 -3.612 2.016 93 HG23 THR 14 HG23 THR 14 3.392 -3.810 2.682 94 HA PRO 15 HA PRO 15 7.184 -2.284 -1.005 95 HB2 PRO 15 HB2 PRO 15 8.072 -4.755 0.361 96 HB3 PRO 15 HB3 PRO 15 9.032 -3.438 -0.313 97 HG2 PRO 15 HG2 PRO 15 8.808 -3.722 2.310 98 HG3 PRO 15 HG3 PRO 15 8.776 -2.108 1.571 99 HD2 PRO 15 HD2 PRO 15 6.478 -3.787 2.532 100 HD3 PRO 15 HD3 PRO 15 6.789 -2.056 2.793 101 H GLY 16 H GLY 16 5.221 -4.736 0.598 102 HA2 GLY 16 HA2 GLY 16 5.171 -6.419 -1.745 103 HA3 GLY 16 HA3 GLY 16 4.362 -6.734 -0.221 104 H CYS 17 H CYS 17 3.606 -3.641 -1.086 105 HA CYS 17 HA CYS 17 0.926 -4.369 -1.778 106 HB2 CYS 17 HB2 CYS 17 2.355 -2.008 -0.929 107 HB3 CYS 17 HB3 CYS 17 1.261 -1.637 -2.255 108 H ASP 18 H ASP 18 -0.219 -3.450 -3.598 109 HA ASP 18 HA ASP 18 1.359 -3.481 -6.071 110 HB2 ASP 18 HB2 ASP 18 -0.585 -4.032 -7.226 111 HB3 ASP 18 HB3 ASP 18 -0.837 -4.850 -5.687 112 H GLY 19 H GLY 19 -0.659 -1.478 -4.036 113 HA2 GLY 19 HA2 GLY 19 -0.288 0.849 -3.844 114 HA3 GLY 19 HA3 GLY 19 0.346 0.860 -5.480 115 H SER 20 H SER 20 -2.223 -0.838 -6.130 116 HA SER 20 HA SER 20 -3.914 1.555 -6.444 117 HB2 SER 20 HB2 SER 20 -4.670 -0.337 -8.374 118 HB3 SER 20 HB3 SER 20 -3.745 1.141 -8.640 119 HG SER 20 HG SER 20 -2.679 -1.414 -7.963 120 H GLY 21 H GLY 21 -4.872 0.985 -4.362 121 HA2 GLY 21 HA2 GLY 21 -7.387 0.066 -4.465 122 HA3 GLY 21 HA3 GLY 21 -6.473 -1.416 -4.226 123 H HIS 22 H HIS 22 -7.964 -1.314 -2.316 124 HA HIS 22 HA HIS 22 -6.423 -0.431 -0.013 125 HB2 HIS 22 HB2 HIS 22 -9.110 0.642 -0.704 126 HB3 HIS 22 HB3 HIS 22 -8.880 0.143 0.962 127 HD1 HIS 22 HD1 HIS 22 -8.482 2.137 2.327 128 HD2 HIS 22 HD2 HIS 22 -6.572 2.424 -1.354 129 HE1 HIS 22 HE1 HIS 22 -7.360 4.374 2.324 130 HE2 HIS 22 HE2 HIS 22 -6.398 4.620 0.008 131 H ILE 23 H ILE 23 -7.644 -1.337 2.022 132 HA ILE 23 HA ILE 23 -8.348 -4.106 1.448 133 HB ILE 23 HB ILE 23 -7.468 -2.607 3.829 134 HG12 ILE 23 HG12 ILE 23 -5.969 -4.170 2.838 135 HG13 ILE 23 HG13 ILE 23 -6.501 -4.878 4.360 136 HG21 ILE 23 HG21 ILE 23 -9.206 -4.997 4.338 137 HG22 ILE 23 HG22 ILE 23 -8.563 -3.828 5.494 138 HG23 ILE 23 HG23 ILE 23 -9.842 -3.349 4.377 139 HD11 ILE 23 HD11 ILE 23 -6.924 -5.781 1.599 140 HD12 ILE 23 HD12 ILE 23 -6.791 -6.704 3.097 141 HD13 ILE 23 HD13 ILE 23 -8.319 -5.932 2.671 142 H THR 24 H THR 24 -9.750 -1.102 2.571 143 HA THR 24 HA THR 24 -12.247 -1.999 3.398 144 HB THR 24 HB THR 24 -11.516 0.252 3.892 145 HG1 THR 24 HG1 THR 24 -13.666 0.324 3.965 146 HG21 THR 24 HG21 THR 24 -10.381 1.312 2.276 147 HG22 THR 24 HG22 THR 24 -11.970 1.815 1.698 148 HG23 THR 24 HG23 THR 24 -11.180 0.405 0.991 149 H GLY 25 H GLY 25 -11.098 -1.287 0.136 150 HA2 GLY 25 HA2 GLY 25 -12.015 -2.085 -1.855 151 HA3 GLY 25 HA3 GLY 25 -13.419 -2.643 -0.958 152 H ASN 26 H ASN 26 -12.585 0.525 -0.206 153 HA ASN 26 HA ASN 26 -14.811 1.519 -1.826 154 HB2 ASN 26 HB2 ASN 26 -13.678 2.249 0.841 155 HB3 ASN 26 HB3 ASN 26 -14.528 3.486 -0.081 156 HD21 ASN 26 HD21 ASN 26 -14.787 0.697 1.851 157 HD22 ASN 26 HD22 ASN 26 -16.510 0.553 1.821 158 H TYR 27 H TYR 27 -11.544 1.470 -2.027 159 HA TYR 27 HA TYR 27 -11.438 4.157 -3.226 160 HB2 TYR 27 HB2 TYR 27 -9.429 2.734 -1.493 161 HB3 TYR 27 HB3 TYR 27 -8.964 4.057 -2.550 162 HD1 TYR 27 HD2 TYR 27 -11.178 3.176 0.303 163 HD2 TYR 27 HD1 TYR 27 -9.286 6.294 -1.896 164 HE1 TYR 27 HE2 TYR 27 -11.852 4.796 2.022 165 HE2 TYR 27 HE1 TYR 27 -9.950 7.917 -0.175 166 HH TYR 27 HH TYR 27 -12.037 7.914 1.666 167 H ALA 28 H ALA 28 -9.590 4.396 -4.792 168 HA ALA 28 HA ALA 28 -9.438 1.976 -6.458 169 HB1 ALA 28 HB1 ALA 28 -8.925 3.535 -8.311 170 HB2 ALA 28 HB2 ALA 28 -10.496 3.835 -7.567 171 HB3 ALA 28 HB3 ALA 28 -9.128 4.884 -7.193 172 H SER 29 H SER 29 -7.565 4.208 -4.616 173 HA SER 29 HA SER 29 -5.166 2.669 -5.086 174 HB2 SER 29 HB2 SER 29 -3.887 4.815 -5.677 175 HB3 SER 29 HB3 SER 29 -4.872 4.094 -6.945 176 HG SER 29 HG SER 29 -6.495 5.700 -5.720 177 H HIS 30 H HIS 30 -3.268 3.888 -3.828 178 HA HIS 30 HA HIS 30 -4.094 5.514 -1.626 179 HB2 HIS 30 HB2 HIS 30 -3.748 4.001 0.180 180 HB3 HIS 30 HB3 HIS 30 -4.824 3.185 -0.941 181 HD1 HIS 30 HD1 HIS 30 -3.527 1.398 -2.593 182 HD2 HIS 30 HD2 HIS 30 -1.619 2.529 0.925 183 HE1 HIS 30 HE1 HIS 30 -1.727 -0.333 -2.164 184 H ARG 31 H ARG 31 -2.168 5.802 -0.056 185 HA ARG 31 HA ARG 31 0.410 5.273 -1.322 186 HB2 ARG 31 HB2 ARG 31 0.973 7.779 -0.845 187 HB3 ARG 31 HB3 ARG 31 0.151 7.333 -2.331 188 HG2 ARG 31 HG2 ARG 31 -2.016 7.859 -1.109 189 HG3 ARG 31 HG3 ARG 31 -1.003 8.610 0.125 190 HD2 ARG 31 HD2 ARG 31 -0.821 9.336 -2.786 191 HD3 ARG 31 HD3 ARG 31 -1.925 10.142 -1.671 192 HE ARG 31 HE ARG 31 1.027 10.146 -1.429 193 HH11 ARG 31 HH12 ARG 31 -2.105 11.633 -0.874 194 HH12 ARG 31 HH11 ARG 31 -1.430 13.070 -0.162 195 HH21 ARG 31 HH22 ARG 31 1.902 12.022 -0.523 196 HH22 ARG 31 HH21 ARG 31 0.854 13.298 0.030 197 H SER 32 H SER 32 -1.226 4.792 1.272 198 HA SER 32 HA SER 32 1.069 5.035 3.025 199 HB2 SER 32 HB2 SER 32 -1.025 5.853 4.691 200 HB3 SER 32 HB3 SER 32 0.296 6.859 4.096 201 HG SER 32 HG SER 32 -1.046 7.843 2.801 202 H LEU 33 H LEU 33 0.609 3.915 5.162 203 HA LEU 33 HA LEU 33 -0.497 1.345 4.600 204 HB2 LEU 33 HB2 LEU 33 1.126 2.596 6.672 205 HB3 LEU 33 HB3 LEU 33 -0.006 1.424 7.318 206 HG LEU 33 HG LEU 33 1.721 0.663 5.005 207 HD11 LEU 33 HD11 LEU 33 2.962 -0.196 7.391 208 HD12 LEU 33 HD12 LEU 33 3.607 0.881 6.152 209 HD13 LEU 33 HD13 LEU 33 2.719 1.546 7.524 210 HD21 LEU 33 HD21 LEU 33 -0.230 -0.649 6.331 211 HD22 LEU 33 HD22 LEU 33 1.120 -1.446 5.525 212 HD23 LEU 33 HD23 LEU 33 1.182 -1.147 7.261 213 H SER 34 H SER 34 -2.221 3.906 4.988 214 HA SER 34 HA SER 34 -3.940 3.228 7.187 215 HB2 SER 34 HB2 SER 34 -5.087 5.034 5.233 216 HB3 SER 34 HB3 SER 34 -4.662 5.338 6.919 217 HG SER 34 HG SER 34 -3.487 6.455 5.011 218 H GLY 35 H GLY 35 -3.659 2.323 3.905 219 HA2 GLY 35 HA2 GLY 35 -6.087 0.732 4.126 220 HA3 GLY 35 HA3 GLY 35 -6.064 1.933 2.843 221 H CYS 36 H CYS 36 -3.317 0.078 3.976 222 HA CYS 36 HA CYS 36 -2.579 -0.704 1.354 223 HB2 CYS 36 HB2 CYS 36 -1.625 -1.299 4.127 224 HB3 CYS 36 HB3 CYS 36 -1.030 -2.279 2.787 225 HA PRO 37 HA PRO 37 -5.320 -4.286 1.301 226 HB2 PRO 37 HB2 PRO 37 -4.931 -4.905 -1.309 227 HB3 PRO 37 HB3 PRO 37 -5.997 -3.598 -0.788 228 HG2 PRO 37 HG2 PRO 37 -3.227 -3.463 -1.876 229 HG3 PRO 37 HG3 PRO 37 -4.601 -2.376 -2.152 230 HD2 PRO 37 HD2 PRO 37 -2.532 -1.845 -0.421 231 HD3 PRO 37 HD3 PRO 37 -4.155 -1.148 -0.283 232 H ARG 38 H ARG 38 -1.954 -4.050 0.656 233 HA ARG 38 HA ARG 38 -1.685 -6.947 1.098 234 HB2 ARG 38 HB2 ARG 38 -0.365 -5.214 -0.938 235 HB3 ARG 38 HB3 ARG 38 0.579 -6.510 -0.222 236 HG2 ARG 38 HG2 ARG 38 -0.332 -7.932 -1.645 237 HG3 ARG 38 HG3 ARG 38 -1.922 -7.596 -0.950 238 HD2 ARG 38 HD2 ARG 38 -1.140 -5.433 -2.638 239 HD3 ARG 38 HD3 ARG 38 -0.974 -6.948 -3.521 240 HE ARG 38 HE ARG 38 -3.477 -6.494 -2.091 241 HH11 ARG 38 HH12 ARG 38 -1.755 -6.596 -5.139 242 HH12 ARG 38 HH11 ARG 38 -3.209 -6.657 -6.093 243 HH21 ARG 38 HH22 ARG 38 -5.386 -6.576 -3.336 244 HH22 ARG 38 HH21 ARG 38 -5.276 -6.604 -5.073 245 H ALA 39 H ALA 39 -1.750 -4.762 2.968 246 HA ALA 39 HA ALA 39 0.676 -3.762 3.795 247 HB1 ALA 39 HB1 ALA 39 -0.563 -2.865 5.402 248 HB2 ALA 39 HB2 ALA 39 -1.930 -3.770 4.752 249 HB3 ALA 39 HB3 ALA 39 -0.969 -4.449 6.064 250 H LYS 40 H LYS 40 2.470 -4.674 4.433 251 HA LYS 40 HA LYS 40 3.995 -6.111 5.279 252 HB2 LYS 40 HB2 LYS 40 1.736 -6.652 7.210 253 HB3 LYS 40 HB3 LYS 40 3.392 -7.194 7.442 254 HG2 LYS 40 HG2 LYS 40 2.781 -4.295 7.030 255 HG3 LYS 40 HG3 LYS 40 2.605 -5.044 8.618 256 HD2 LYS 40 HD2 LYS 40 4.945 -5.768 8.531 257 HD3 LYS 40 HD3 LYS 40 5.119 -5.015 6.945 258 HE2 LYS 40 HE2 LYS 40 4.661 -3.684 9.600 259 HE3 LYS 40 HE3 LYS 40 6.024 -3.485 8.500 260 HZ1 LYS 40 HZ1 LYS 40 4.854 -1.630 7.986 261 HZ2 LYS 40 HZ2 LYS 40 3.353 -2.308 8.392 262 HZ3 LYS 40 HZ3 LYS 40 4.086 -2.694 6.909 263 H LYS 41 H LYS 41 1.641 -8.360 6.454 264 HA LYS 41 HA LYS 41 1.366 -9.950 4.147 265 HB2 LYS 41 HB2 LYS 41 3.860 -10.273 5.387 266 HB3 LYS 41 HB3 LYS 41 2.913 -11.659 5.908 267 HG2 LYS 41 HG2 LYS 41 3.435 -12.634 3.991 268 HG3 LYS 41 HG3 LYS 41 2.417 -11.444 3.178 269 HD2 LYS 41 HD2 LYS 41 4.676 -10.004 3.496 270 HD3 LYS 41 HD3 LYS 41 5.358 -11.625 3.350 271 HE2 LYS 41 HE2 LYS 41 4.682 -11.865 1.189 272 HE3 LYS 41 HE3 LYS 41 3.258 -10.848 1.409 273 HZ1 LYS 41 HZ1 LYS 41 5.900 -10.140 0.523 274 HZ2 LYS 41 HZ2 LYS 41 5.312 -9.108 1.734 275 HZ3 LYS 41 HZ3 LYS 41 4.426 -9.329 0.303 276 H SER 42 H SER 42 1.951 -11.997 6.755 277 HA SER 42 HA SER 42 -0.906 -12.145 7.355 278 HB2 SER 42 HB2 SER 42 0.618 -14.112 8.767 279 HB3 SER 42 HB3 SER 42 -0.522 -14.351 7.442 280 HG SER 42 HG SER 42 1.078 -14.457 6.041 281 H GLY 43 H GLY 43 -0.025 -9.887 8.342 282 HA2 GLY 43 HA2 GLY 43 -0.643 -9.443 10.836 283 HA3 GLY 43 HA3 GLY 43 0.857 -10.324 11.103 284 H LEU 44 H LEU 44 -0.231 -7.380 11.272 285 HA LEU 44 HA LEU 44 1.614 -5.983 9.554 286 HB2 LEU 44 HB2 LEU 44 0.043 -4.703 11.762 287 HB3 LEU 44 HB3 LEU 44 0.537 -4.018 10.225 288 HG LEU 44 HG LEU 44 -1.429 -6.281 10.319 289 HD11 LEU 44 HD11 LEU 44 -2.571 -4.834 11.710 290 HD12 LEU 44 HD12 LEU 44 -1.917 -3.395 10.926 291 HD13 LEU 44 HD13 LEU 44 -3.151 -4.359 10.113 292 HD21 LEU 44 HD21 LEU 44 -1.382 -5.998 8.128 293 HD22 LEU 44 HD22 LEU 44 -1.964 -4.346 8.335 294 HD23 LEU 44 HD23 LEU 44 -0.233 -4.673 8.303 295 H ARG 45 H ARG 45 1.529 -6.997 12.868 296 HA ARG 45 HA ARG 45 3.742 -5.265 13.621 297 HB2 ARG 45 HB2 ARG 45 3.447 -6.156 15.857 298 HB3 ARG 45 HB3 ARG 45 1.885 -5.688 15.201 299 HG2 ARG 45 HG2 ARG 45 1.607 -8.136 14.554 300 HG3 ARG 45 HG3 ARG 45 2.988 -8.445 15.608 301 HD2 ARG 45 HD2 ARG 45 1.838 -7.695 17.513 302 HD3 ARG 45 HD3 ARG 45 0.580 -6.919 16.553 303 HE ARG 45 HE ARG 45 -0.435 -8.992 16.219 304 HH11 ARG 45 HH12 ARG 45 2.554 -9.318 18.029 305 HH12 ARG 45 HH11 ARG 45 2.194 -10.938 18.561 306 HH21 ARG 45 HH22 ARG 45 -0.888 -11.136 16.924 307 HH22 ARG 45 HH21 ARG 45 0.261 -11.955 17.938 308 H VAL 46 H VAL 46 3.843 -7.667 11.683 309 HA VAL 46 HA VAL 46 6.105 -9.042 12.978 310 HB VAL 46 HB VAL 46 4.822 -10.293 10.610 311 HG11 VAL 46 HG11 VAL 46 6.782 -11.020 12.341 312 HG12 VAL 46 HG12 VAL 46 5.385 -11.841 13.036 313 HG13 VAL 46 HG13 VAL 46 5.843 -12.144 11.360 314 HG21 VAL 46 HG21 VAL 46 3.024 -9.444 12.333 315 HG22 VAL 46 HG22 VAL 46 2.913 -11.056 11.624 316 HG23 VAL 46 HG23 VAL 46 3.562 -10.852 13.253 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 9.021 21.523 -9.636 2 H2 GLY 1 H2 GLY 1 7.501 20.960 -9.136 3 H3 GLY 1 H3 GLY 1 7.735 21.450 -10.741 4 HA2 GLY 1 HA3 GLY 1 7.848 18.904 -9.886 5 HA3 GLY 1 HA2 GLY 1 8.593 19.503 -11.364 6 H SER 2 H SER 2 10.500 18.550 -11.536 7 HA SER 2 HA SER 2 12.593 17.807 -11.085 8 HB2 SER 2 HB2 SER 2 12.657 19.998 -9.003 9 HB3 SER 2 HB3 SER 2 14.036 19.274 -9.829 10 HG SER 2 HG SER 2 11.942 20.704 -11.133 11 H MET 3 H MET 3 11.037 16.046 -10.056 12 HA MET 3 HA MET 3 11.945 15.634 -7.278 13 HB2 MET 3 HB2 MET 3 9.341 15.747 -8.236 14 HB3 MET 3 HB3 MET 3 9.658 14.025 -8.071 15 HG2 MET 3 HG2 MET 3 9.733 14.115 -5.823 16 HG3 MET 3 HG3 MET 3 10.482 15.710 -5.801 17 HE1 MET 3 HE1 MET 3 8.976 17.507 -7.322 18 HE2 MET 3 HE2 MET 3 7.404 17.971 -6.673 19 HE3 MET 3 HE3 MET 3 8.848 18.103 -5.666 20 H ALA 4 H ALA 4 13.012 14.860 -10.032 21 HA ALA 4 HA ALA 4 14.158 13.158 -10.975 22 HB1 ALA 4 HB1 ALA 4 15.650 12.508 -9.479 23 HB2 ALA 4 HB2 ALA 4 14.562 12.962 -8.169 24 HB3 ALA 4 HB3 ALA 4 14.500 11.332 -8.844 25 H ALA 5 H ALA 5 13.218 10.625 -8.870 26 HA ALA 5 HA ALA 5 11.482 9.560 -10.994 27 HB1 ALA 5 HB1 ALA 5 12.803 7.976 -8.804 28 HB2 ALA 5 HB2 ALA 5 12.084 7.375 -10.299 29 HB3 ALA 5 HB3 ALA 5 13.577 8.312 -10.353 30 H HIS 6 H HIS 6 11.706 10.123 -7.529 31 HA HIS 6 HA HIS 6 9.067 9.014 -7.059 32 HB2 HIS 6 HB2 HIS 6 10.989 8.811 -5.417 33 HB3 HIS 6 HB3 HIS 6 10.793 10.530 -5.094 34 HD1 HIS 6 HD1 HIS 6 9.614 10.824 -2.946 35 HD2 HIS 6 HD2 HIS 6 8.097 7.601 -5.107 36 HE1 HIS 6 HE1 HIS 6 7.699 9.928 -1.586 37 HE2 HIS 6 HE2 HIS 6 6.844 7.928 -2.859 38 H SER 7 H SER 7 8.390 10.715 -8.776 39 HA SER 7 HA SER 7 8.047 13.407 -7.873 40 HB2 SER 7 HB2 SER 7 6.132 12.784 -9.885 41 HB3 SER 7 HB3 SER 7 7.644 13.677 -10.066 42 HG SER 7 HG SER 7 7.154 10.909 -10.411 43 H ALA 8 H ALA 8 5.948 10.562 -8.110 44 HA ALA 8 HA ALA 8 4.162 11.828 -6.141 45 HB1 ALA 8 HB1 ALA 8 2.258 10.856 -7.143 46 HB2 ALA 8 HB2 ALA 8 3.176 11.583 -8.459 47 HB3 ALA 8 HB3 ALA 8 3.237 9.840 -8.201 48 H ASP 9 H ASP 9 3.301 10.457 -4.559 49 HA ASP 9 HA ASP 9 4.971 8.141 -3.954 50 HB2 ASP 9 HB2 ASP 9 4.040 10.069 -2.351 51 HB3 ASP 9 HB3 ASP 9 2.699 8.937 -2.203 52 H LEU 10 H LEU 10 4.055 7.097 -5.886 53 HA LEU 10 HA LEU 10 1.355 6.113 -5.728 54 HB2 LEU 10 HB2 LEU 10 3.575 5.139 -7.516 55 HB3 LEU 10 HB3 LEU 10 1.849 4.938 -7.759 56 HG LEU 10 HG LEU 10 2.664 7.740 -7.570 57 HD11 LEU 10 HD11 LEU 10 4.354 6.034 -9.060 58 HD12 LEU 10 HD12 LEU 10 3.374 6.948 -10.206 59 HD13 LEU 10 HD13 LEU 10 4.346 7.798 -9.005 60 HD21 LEU 10 HD21 LEU 10 0.543 7.528 -8.364 61 HD22 LEU 10 HD22 LEU 10 1.414 7.532 -9.896 62 HD23 LEU 10 HD23 LEU 10 0.883 6.006 -9.189 63 H LYS 11 H LYS 11 4.489 5.122 -4.715 64 HA LYS 11 HA LYS 11 3.419 2.495 -4.005 65 HB2 LYS 11 HB2 LYS 11 6.016 3.368 -4.987 66 HB3 LYS 11 HB3 LYS 11 6.126 2.339 -3.563 67 HG2 LYS 11 HG2 LYS 11 4.774 1.705 -6.169 68 HG3 LYS 11 HG3 LYS 11 6.226 0.968 -5.506 69 HD2 LYS 11 HD2 LYS 11 3.453 0.794 -4.330 70 HD3 LYS 11 HD3 LYS 11 4.280 -0.484 -5.218 71 HE2 LYS 11 HE2 LYS 11 5.290 -1.176 -3.363 72 HE3 LYS 11 HE3 LYS 11 5.955 0.434 -3.085 73 HZ1 LYS 11 HZ1 LYS 11 4.123 -0.826 -1.522 74 HZ2 LYS 11 HZ2 LYS 11 3.170 0.248 -2.413 75 HZ3 LYS 11 HZ3 LYS 11 4.467 0.830 -1.494 76 H CYS 12 H CYS 12 2.563 2.668 -2.165 77 HA CYS 12 HA CYS 12 3.162 4.184 0.064 78 HB2 CYS 12 HB2 CYS 12 1.936 2.074 1.120 79 HB3 CYS 12 HB3 CYS 12 1.087 3.187 0.056 80 HA PRO 13 HA PRO 13 6.513 2.440 2.365 81 HB2 PRO 13 HB2 PRO 13 5.314 1.463 4.675 82 HB3 PRO 13 HB3 PRO 13 5.830 3.128 4.412 83 HG2 PRO 13 HG2 PRO 13 3.122 1.916 4.129 84 HG3 PRO 13 HG3 PRO 13 3.583 3.499 4.784 85 HD2 PRO 13 HD2 PRO 13 2.548 3.276 2.335 86 HD3 PRO 13 HD3 PRO 13 3.865 4.423 2.662 87 H THR 14 H THR 14 3.687 0.303 2.295 88 HA THR 14 HA THR 14 5.096 -2.073 2.931 89 HB THR 14 HB THR 14 2.544 -1.977 1.341 90 HG1 THR 14 HG1 THR 14 1.567 -1.098 3.002 91 HG21 THR 14 HG21 THR 14 2.256 -4.132 1.972 92 HG22 THR 14 HG22 THR 14 2.934 -3.858 3.577 93 HG23 THR 14 HG23 THR 14 4.006 -4.096 2.198 94 HA PRO 15 HA PRO 15 7.085 -2.383 -1.111 95 HB2 PRO 15 HB2 PRO 15 8.215 -4.828 0.099 96 HB3 PRO 15 HB3 PRO 15 9.040 -3.432 -0.595 97 HG2 PRO 15 HG2 PRO 15 9.037 -3.822 2.028 98 HG3 PRO 15 HG3 PRO 15 8.865 -2.190 1.352 99 HD2 PRO 15 HD2 PRO 15 6.738 -4.026 2.415 100 HD3 PRO 15 HD3 PRO 15 6.974 -2.290 2.724 101 H GLY 16 H GLY 16 5.307 -4.855 0.581 102 HA2 GLY 16 HA2 GLY 16 5.134 -6.605 -1.702 103 HA3 GLY 16 HA3 GLY 16 4.341 -6.832 -0.152 104 H CYS 17 H CYS 17 3.542 -3.843 -0.712 105 HA CYS 17 HA CYS 17 0.994 -4.543 -1.939 106 HB2 CYS 17 HB2 CYS 17 1.070 -3.333 0.224 107 HB3 CYS 17 HB3 CYS 17 1.903 -2.004 -0.567 108 H ASP 18 H ASP 18 0.090 -3.096 -3.581 109 HA ASP 18 HA ASP 18 2.212 -2.252 -5.414 110 HB2 ASP 18 HB2 ASP 18 0.877 -2.845 -7.186 111 HB3 ASP 18 HB3 ASP 18 0.273 -3.962 -5.968 112 H GLY 19 H GLY 19 -0.189 -1.007 -3.378 113 HA2 GLY 19 HA2 GLY 19 -0.224 1.278 -2.799 114 HA3 GLY 19 HA3 GLY 19 0.444 1.669 -4.375 115 H SER 20 H SER 20 -1.950 -0.437 -5.058 116 HA SER 20 HA SER 20 -3.886 1.752 -5.405 117 HB2 SER 20 HB2 SER 20 -4.137 -0.794 -6.937 118 HB3 SER 20 HB3 SER 20 -4.526 0.856 -7.425 119 HG SER 20 HG SER 20 -2.091 -0.517 -7.489 120 H GLY 21 H GLY 21 -6.178 1.111 -5.346 121 HA2 GLY 21 HA2 GLY 21 -7.990 0.139 -4.335 122 HA3 GLY 21 HA3 GLY 21 -7.005 -1.295 -4.103 123 H HIS 22 H HIS 22 -8.261 -1.381 -2.129 124 HA HIS 22 HA HIS 22 -6.722 -0.361 0.092 125 HB2 HIS 22 HB2 HIS 22 -9.474 0.624 -0.500 126 HB3 HIS 22 HB3 HIS 22 -9.149 0.172 1.162 127 HD1 HIS 22 HD1 HIS 22 -8.456 2.047 2.563 128 HD2 HIS 22 HD2 HIS 22 -7.357 2.635 -1.408 129 HE1 HIS 22 HE1 HIS 22 -7.464 4.348 2.465 130 HE2 HIS 22 HE2 HIS 22 -6.950 4.753 0.031 131 H ILE 23 H ILE 23 -7.270 -1.580 2.080 132 HA ILE 23 HA ILE 23 -8.110 -4.271 1.545 133 HB ILE 23 HB ILE 23 -6.759 -3.020 3.647 134 HG12 ILE 23 HG12 ILE 23 -6.323 -5.257 2.761 135 HG13 ILE 23 HG13 ILE 23 -6.501 -5.303 4.511 136 HG21 ILE 23 HG21 ILE 23 -8.117 -4.024 5.610 137 HG22 ILE 23 HG22 ILE 23 -8.552 -2.435 4.980 138 HG23 ILE 23 HG23 ILE 23 -9.491 -3.856 4.519 139 HD11 ILE 23 HD11 ILE 23 -8.953 -5.931 4.009 140 HD12 ILE 23 HD12 ILE 23 -8.346 -6.327 2.401 141 HD13 ILE 23 HD13 ILE 23 -7.693 -7.151 3.818 142 H THR 24 H THR 24 -9.538 -1.327 2.341 143 HA THR 24 HA THR 24 -12.041 -2.029 3.359 144 HB THR 24 HB THR 24 -11.705 0.199 1.410 145 HG1 THR 24 HG1 THR 24 -10.448 0.018 3.967 146 HG21 THR 24 HG21 THR 24 -13.169 1.331 2.810 147 HG22 THR 24 HG22 THR 24 -12.830 0.269 4.177 148 HG23 THR 24 HG23 THR 24 -13.763 -0.327 2.803 149 H GLY 25 H GLY 25 -11.176 -1.136 0.038 150 HA2 GLY 25 HA2 GLY 25 -11.870 -2.313 -1.926 151 HA3 GLY 25 HA3 GLY 25 -13.185 -3.017 -0.992 152 H ASN 26 H ASN 26 -12.454 0.355 -0.699 153 HA ASN 26 HA ASN 26 -14.924 0.994 -2.169 154 HB2 ASN 26 HB2 ASN 26 -13.902 1.827 0.502 155 HB3 ASN 26 HB3 ASN 26 -14.814 3.011 -0.425 156 HD21 ASN 26 HD21 ASN 26 -15.323 1.394 2.063 157 HD22 ASN 26 HD22 ASN 26 -16.872 0.672 1.792 158 H TYR 27 H TYR 27 -11.660 1.362 -2.335 159 HA TYR 27 HA TYR 27 -11.875 4.047 -3.521 160 HB2 TYR 27 HB2 TYR 27 -9.645 2.847 -1.873 161 HB3 TYR 27 HB3 TYR 27 -9.493 4.345 -2.773 162 HD1 TYR 27 HD2 TYR 27 -11.285 2.718 0.015 163 HD2 TYR 27 HD1 TYR 27 -10.317 6.391 -1.894 164 HE1 TYR 27 HE2 TYR 27 -12.179 3.945 1.947 165 HE2 TYR 27 HE1 TYR 27 -11.194 7.633 0.039 166 HH TYR 27 HH TYR 27 -11.676 7.343 2.348 167 H ALA 28 H ALA 28 -9.805 4.487 -4.886 168 HA ALA 28 HA ALA 28 -9.531 2.237 -6.753 169 HB1 ALA 28 HB1 ALA 28 -8.776 3.886 -8.376 170 HB2 ALA 28 HB2 ALA 28 -10.330 4.361 -7.689 171 HB3 ALA 28 HB3 ALA 28 -8.849 5.149 -7.146 172 H SER 29 H SER 29 -7.658 4.508 -4.789 173 HA SER 29 HA SER 29 -5.444 2.671 -4.681 174 HB2 SER 29 HB2 SER 29 -3.984 4.813 -5.519 175 HB3 SER 29 HB3 SER 29 -4.463 3.476 -6.565 176 HG SER 29 HG SER 29 -5.531 4.897 -7.676 177 H HIS 30 H HIS 30 -3.540 3.732 -3.482 178 HA HIS 30 HA HIS 30 -4.372 5.898 -1.715 179 HB2 HIS 30 HB2 HIS 30 -3.421 4.670 0.262 180 HB3 HIS 30 HB3 HIS 30 -4.928 4.012 -0.345 181 HD1 HIS 30 HD1 HIS 30 -4.701 1.693 -1.726 182 HD2 HIS 30 HD2 HIS 30 -1.330 2.970 0.350 183 HE1 HIS 30 HE1 HIS 30 -3.111 -0.282 -1.634 184 H ARG 31 H ARG 31 -2.022 5.579 -0.012 185 HA ARG 31 HA ARG 31 0.269 5.598 -1.758 186 HB2 ARG 31 HB2 ARG 31 0.836 7.990 -0.735 187 HB3 ARG 31 HB3 ARG 31 -0.006 7.798 -2.265 188 HG2 ARG 31 HG2 ARG 31 -2.153 7.931 -0.840 189 HG3 ARG 31 HG3 ARG 31 -1.093 8.604 0.401 190 HD2 ARG 31 HD2 ARG 31 -2.228 10.297 -1.055 191 HD3 ARG 31 HD3 ARG 31 -0.471 10.422 -0.997 192 HE ARG 31 HE ARG 31 -1.082 8.817 -3.177 193 HH11 ARG 31 HH12 ARG 31 -1.621 12.124 -2.153 194 HH12 ARG 31 HH11 ARG 31 -1.722 12.744 -3.776 195 HH21 ARG 31 HH22 ARG 31 -1.204 9.609 -5.298 196 HH22 ARG 31 HH21 ARG 31 -1.456 11.309 -5.576 197 H SER 32 H SER 32 -1.188 5.597 1.342 198 HA SER 32 HA SER 32 1.449 5.080 2.545 199 HB2 SER 32 HB2 SER 32 -0.748 6.266 4.189 200 HB3 SER 32 HB3 SER 32 0.997 6.426 4.372 201 HG SER 32 HG SER 32 0.848 7.651 2.296 202 H LEU 33 H LEU 33 0.908 4.091 4.924 203 HA LEU 33 HA LEU 33 -0.346 1.583 4.382 204 HB2 LEU 33 HB2 LEU 33 1.370 2.736 6.409 205 HB3 LEU 33 HB3 LEU 33 0.109 1.754 7.130 206 HG LEU 33 HG LEU 33 1.782 0.701 4.882 207 HD11 LEU 33 HD11 LEU 33 3.391 -0.149 6.390 208 HD12 LEU 33 HD12 LEU 33 3.222 1.570 6.753 209 HD13 LEU 33 HD13 LEU 33 2.455 0.370 7.793 210 HD21 LEU 33 HD21 LEU 33 0.293 -0.612 7.155 211 HD22 LEU 33 HD22 LEU 33 -0.242 -0.525 5.476 212 HD23 LEU 33 HD23 LEU 33 1.200 -1.451 5.896 213 H SER 34 H SER 34 -2.003 4.067 4.442 214 HA SER 34 HA SER 34 -3.765 3.801 6.694 215 HB2 SER 34 HB2 SER 34 -4.860 5.230 4.426 216 HB3 SER 34 HB3 SER 34 -4.435 5.843 6.025 217 HG SER 34 HG SER 34 -2.494 6.420 5.327 218 H GLY 35 H GLY 35 -3.535 2.584 3.444 219 HA2 GLY 35 HA2 GLY 35 -5.861 0.894 3.924 220 HA3 GLY 35 HA3 GLY 35 -5.972 2.009 2.573 221 H CYS 36 H CYS 36 -3.141 0.210 3.667 222 HA CYS 36 HA CYS 36 -2.604 -0.812 1.046 223 HB2 CYS 36 HB2 CYS 36 -1.414 -1.180 3.779 224 HB3 CYS 36 HB3 CYS 36 -0.976 -2.299 2.488 225 HA PRO 37 HA PRO 37 -5.376 -4.315 1.817 226 HB2 PRO 37 HB2 PRO 37 -5.880 -4.928 -0.725 227 HB3 PRO 37 HB3 PRO 37 -6.582 -3.474 0.010 228 HG2 PRO 37 HG2 PRO 37 -4.206 -3.724 -1.807 229 HG3 PRO 37 HG3 PRO 37 -5.508 -2.519 -1.822 230 HD2 PRO 37 HD2 PRO 37 -3.018 -2.121 -0.680 231 HD3 PRO 37 HD3 PRO 37 -4.488 -1.229 -0.243 232 H ARG 38 H ARG 38 -2.279 -4.032 0.659 233 HA ARG 38 HA ARG 38 -1.926 -6.954 0.561 234 HB2 ARG 38 HB2 ARG 38 -0.797 -4.789 -1.140 235 HB3 ARG 38 HB3 ARG 38 0.252 -6.144 -0.746 236 HG2 ARG 38 HG2 ARG 38 -1.003 -7.639 -1.941 237 HG3 ARG 38 HG3 ARG 38 -2.476 -6.675 -1.803 238 HD2 ARG 38 HD2 ARG 38 -0.903 -4.963 -3.167 239 HD3 ARG 38 HD3 ARG 38 -0.272 -6.503 -3.749 240 HE ARG 38 HE ARG 38 -3.165 -6.128 -3.814 241 HH11 ARG 38 HH12 ARG 38 -0.111 -6.192 -5.533 242 HH12 ARG 38 HH11 ARG 38 -0.853 -6.384 -7.096 243 HH21 ARG 38 HH22 ARG 38 -4.138 -6.386 -5.860 244 HH22 ARG 38 HH21 ARG 38 -3.147 -6.497 -7.284 245 H ALA 39 H ALA 39 -1.802 -4.834 2.727 246 HA ALA 39 HA ALA 39 0.851 -4.382 3.493 247 HB1 ALA 39 HB1 ALA 39 -1.482 -3.509 4.428 248 HB2 ALA 39 HB2 ALA 39 -1.158 -4.757 5.633 249 HB3 ALA 39 HB3 ALA 39 0.004 -3.456 5.379 250 H LYS 40 H LYS 40 2.300 -5.901 3.752 251 HA LYS 40 HA LYS 40 3.404 -7.763 4.415 252 HB2 LYS 40 HB2 LYS 40 1.433 -7.340 6.558 253 HB3 LYS 40 HB3 LYS 40 2.042 -8.985 6.438 254 HG2 LYS 40 HG2 LYS 40 3.493 -7.983 7.938 255 HG3 LYS 40 HG3 LYS 40 4.373 -7.898 6.412 256 HD2 LYS 40 HD2 LYS 40 4.639 -5.764 7.298 257 HD3 LYS 40 HD3 LYS 40 3.289 -5.566 6.178 258 HE2 LYS 40 HE2 LYS 40 1.905 -6.191 8.360 259 HE3 LYS 40 HE3 LYS 40 3.329 -5.510 9.145 260 HZ1 LYS 40 HZ1 LYS 40 2.683 -3.470 8.622 261 HZ2 LYS 40 HZ2 LYS 40 1.198 -4.118 8.124 262 HZ3 LYS 40 HZ3 LYS 40 2.439 -3.867 6.993 263 H LYS 41 H LYS 41 1.339 -7.878 2.369 264 HA LYS 41 HA LYS 41 0.329 -10.615 2.651 265 HB2 LYS 41 HB2 LYS 41 -0.496 -8.240 1.149 266 HB3 LYS 41 HB3 LYS 41 -0.515 -9.712 0.186 267 HG2 LYS 41 HG2 LYS 41 -1.728 -10.007 2.826 268 HG3 LYS 41 HG3 LYS 41 -2.543 -8.843 1.777 269 HD2 LYS 41 HD2 LYS 41 -3.206 -10.435 0.300 270 HD3 LYS 41 HD3 LYS 41 -1.764 -11.420 0.553 271 HE2 LYS 41 HE2 LYS 41 -3.014 -12.772 1.798 272 HE3 LYS 41 HE3 LYS 41 -3.106 -11.478 2.991 273 HZ1 LYS 41 HZ1 LYS 41 -5.308 -11.955 2.591 274 HZ2 LYS 41 HZ2 LYS 41 -5.069 -12.249 0.938 275 HZ3 LYS 41 HZ3 LYS 41 -5.048 -10.658 1.529 276 H SER 42 H SER 42 1.177 -9.097 -0.389 277 HA SER 42 HA SER 42 2.876 -11.340 -1.089 278 HB2 SER 42 HB2 SER 42 2.664 -9.025 -2.919 279 HB3 SER 42 HB3 SER 42 2.469 -10.747 -3.251 280 HG SER 42 HG SER 42 0.402 -10.601 -2.186 281 H GLY 43 H GLY 43 3.989 -10.067 0.999 282 HA2 GLY 43 HA2 GLY 43 6.567 -9.629 0.667 283 HA3 GLY 43 HA3 GLY 43 5.933 -8.124 0.006 284 H LEU 44 H LEU 44 6.925 -9.714 2.785 285 HA LEU 44 HA LEU 44 5.405 -7.902 4.527 286 HB2 LEU 44 HB2 LEU 44 6.641 -9.802 6.134 287 HB3 LEU 44 HB3 LEU 44 4.954 -9.761 5.665 288 HG LEU 44 HG LEU 44 6.723 -11.035 3.693 289 HD11 LEU 44 HD11 LEU 44 6.960 -13.106 4.969 290 HD12 LEU 44 HD12 LEU 44 7.833 -11.773 5.725 291 HD13 LEU 44 HD13 LEU 44 6.290 -12.305 6.391 292 HD21 LEU 44 HD21 LEU 44 4.695 -11.708 3.089 293 HD22 LEU 44 HD22 LEU 44 4.673 -12.743 4.517 294 HD23 LEU 44 HD23 LEU 44 3.990 -11.119 4.594 295 H ARG 45 H ARG 45 8.632 -9.368 4.177 296 HA ARG 45 HA ARG 45 9.734 -6.995 5.535 297 HB2 ARG 45 HB2 ARG 45 11.685 -8.793 5.956 298 HB3 ARG 45 HB3 ARG 45 10.370 -8.524 7.090 299 HG2 ARG 45 HG2 ARG 45 9.657 -10.608 6.860 300 HG3 ARG 45 HG3 ARG 45 9.604 -10.455 5.101 301 HD2 ARG 45 HD2 ARG 45 12.250 -10.659 5.437 302 HD3 ARG 45 HD3 ARG 45 11.717 -11.562 6.855 303 HE ARG 45 HE ARG 45 10.620 -13.113 5.411 304 HH11 ARG 45 HH12 ARG 45 12.678 -10.783 3.810 305 HH12 ARG 45 HH11 ARG 45 12.764 -11.678 2.323 306 HH21 ARG 45 HH22 ARG 45 10.722 -14.305 3.457 307 HH22 ARG 45 HH21 ARG 45 11.661 -13.690 2.125 308 H VAL 46 H VAL 46 9.925 -6.000 3.497 309 HA VAL 46 HA VAL 46 12.349 -6.794 2.086 310 HB VAL 46 HB VAL 46 10.740 -5.823 0.029 311 HG11 VAL 46 HG11 VAL 46 11.728 -8.552 0.776 312 HG12 VAL 46 HG12 VAL 46 10.841 -8.266 -0.721 313 HG13 VAL 46 HG13 VAL 46 12.366 -7.431 -0.426 314 HG21 VAL 46 HG21 VAL 46 8.698 -6.183 1.236 315 HG22 VAL 46 HG22 VAL 46 8.834 -7.439 0.005 316 HG23 VAL 46 HG23 VAL 46 9.196 -7.813 1.690 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 9.337 21.031 -17.160 2 H2 GLY 1 H2 GLY 1 7.963 22.020 -17.084 3 H3 GLY 1 H3 GLY 1 8.685 21.680 -18.581 4 HA2 GLY 1 HA3 GLY 1 6.565 20.412 -17.925 5 HA3 GLY 1 HA2 GLY 1 7.899 19.538 -18.665 6 H SER 2 H SER 2 7.828 17.585 -17.763 7 HA SER 2 HA SER 2 7.935 15.918 -16.237 8 HB2 SER 2 HB2 SER 2 9.019 17.874 -14.224 9 HB3 SER 2 HB3 SER 2 9.428 16.173 -14.443 10 HG SER 2 HG SER 2 10.188 16.998 -16.641 11 H MET 3 H MET 3 5.462 16.529 -16.399 12 HA MET 3 HA MET 3 4.372 17.367 -13.828 13 HB2 MET 3 HB2 MET 3 3.468 17.689 -16.375 14 HB3 MET 3 HB3 MET 3 2.537 16.285 -15.870 15 HG2 MET 3 HG2 MET 3 2.202 17.877 -13.724 16 HG3 MET 3 HG3 MET 3 2.370 19.086 -14.996 17 HE1 MET 3 HE1 MET 3 -1.528 18.506 -14.070 18 HE2 MET 3 HE2 MET 3 -0.248 17.956 -12.986 19 HE3 MET 3 HE3 MET 3 -0.135 19.541 -13.754 20 H ALA 4 H ALA 4 5.374 14.532 -15.328 21 HA ALA 4 HA ALA 4 4.373 12.928 -13.136 22 HB1 ALA 4 HB1 ALA 4 3.804 11.521 -15.610 23 HB2 ALA 4 HB2 ALA 4 2.786 11.765 -14.189 24 HB3 ALA 4 HB3 ALA 4 2.848 12.996 -15.450 25 H ALA 5 H ALA 5 6.927 13.818 -13.987 26 HA ALA 5 HA ALA 5 8.222 11.562 -15.279 27 HB1 ALA 5 HB1 ALA 5 9.212 13.473 -16.057 28 HB2 ALA 5 HB2 ALA 5 9.033 14.323 -14.524 29 HB3 ALA 5 HB3 ALA 5 10.287 13.100 -14.713 30 H HIS 6 H HIS 6 7.141 10.594 -13.117 31 HA HIS 6 HA HIS 6 9.368 10.284 -11.211 32 HB2 HIS 6 HB2 HIS 6 6.560 10.910 -10.737 33 HB3 HIS 6 HB3 HIS 6 7.066 9.459 -9.876 34 HD1 HIS 6 HD1 HIS 6 7.707 10.038 -7.567 35 HD2 HIS 6 HD2 HIS 6 8.790 13.014 -10.257 36 HE1 HIS 6 HE1 HIS 6 8.862 11.803 -6.194 37 HE2 HIS 6 HE2 HIS 6 9.704 13.475 -7.881 38 H SER 7 H SER 7 9.351 8.105 -10.134 39 HA SER 7 HA SER 7 8.819 6.086 -12.166 40 HB2 SER 7 HB2 SER 7 9.950 5.241 -9.576 41 HB3 SER 7 HB3 SER 7 10.493 4.893 -11.218 42 HG SER 7 HG SER 7 11.112 7.276 -11.147 43 H ALA 8 H ALA 8 8.330 3.822 -10.704 44 HA ALA 8 HA ALA 8 5.548 4.159 -10.077 45 HB1 ALA 8 HB1 ALA 8 7.391 1.908 -10.491 46 HB2 ALA 8 HB2 ALA 8 6.051 1.599 -9.386 47 HB3 ALA 8 HB3 ALA 8 5.727 2.135 -11.034 48 H ASP 9 H ASP 9 7.819 5.224 -8.269 49 HA ASP 9 HA ASP 9 7.056 3.917 -5.770 50 HB2 ASP 9 HB2 ASP 9 9.497 4.668 -6.522 51 HB3 ASP 9 HB3 ASP 9 8.974 6.197 -5.822 52 H LEU 10 H LEU 10 5.165 5.395 -7.195 53 HA LEU 10 HA LEU 10 4.720 7.786 -5.548 54 HB2 LEU 10 HB2 LEU 10 2.603 7.799 -7.182 55 HB3 LEU 10 HB3 LEU 10 4.140 8.516 -7.623 56 HG LEU 10 HG LEU 10 4.664 6.220 -8.696 57 HD11 LEU 10 HD11 LEU 10 1.670 6.061 -8.443 58 HD12 LEU 10 HD12 LEU 10 2.644 5.057 -9.516 59 HD13 LEU 10 HD13 LEU 10 2.857 4.945 -7.769 60 HD21 LEU 10 HD21 LEU 10 3.557 6.893 -10.771 61 HD22 LEU 10 HD22 LEU 10 2.579 8.051 -9.867 62 HD23 LEU 10 HD23 LEU 10 4.327 8.259 -9.965 63 H LYS 11 H LYS 11 4.586 4.935 -4.792 64 HA LYS 11 HA LYS 11 1.747 4.632 -4.173 65 HB2 LYS 11 HB2 LYS 11 2.215 2.249 -4.027 66 HB3 LYS 11 HB3 LYS 11 2.783 2.890 -5.554 67 HG2 LYS 11 HG2 LYS 11 5.019 2.705 -4.954 68 HG3 LYS 11 HG3 LYS 11 4.645 2.589 -3.231 69 HD2 LYS 11 HD2 LYS 11 3.273 0.468 -4.332 70 HD3 LYS 11 HD3 LYS 11 4.775 0.502 -5.257 71 HE2 LYS 11 HE2 LYS 11 5.201 -0.899 -3.423 72 HE3 LYS 11 HE3 LYS 11 5.965 0.638 -3.023 73 HZ1 LYS 11 HZ1 LYS 11 4.364 -0.668 -1.368 74 HZ2 LYS 11 HZ2 LYS 11 3.214 0.308 -2.133 75 HZ3 LYS 11 HZ3 LYS 11 4.536 1.014 -1.345 76 H CYS 12 H CYS 12 2.391 2.570 -2.210 77 HA CYS 12 HA CYS 12 2.636 4.354 0.053 78 HB2 CYS 12 HB2 CYS 12 1.843 2.200 1.214 79 HB3 CYS 12 HB3 CYS 12 0.740 2.965 0.075 80 HA PRO 13 HA PRO 13 6.525 2.755 1.559 81 HB2 PRO 13 HB2 PRO 13 6.133 2.127 4.152 82 HB3 PRO 13 HB3 PRO 13 6.076 3.792 3.570 83 HG2 PRO 13 HG2 PRO 13 3.813 1.928 4.149 84 HG3 PRO 13 HG3 PRO 13 3.993 3.637 4.587 85 HD2 PRO 13 HD2 PRO 13 2.526 2.816 2.466 86 HD3 PRO 13 HD3 PRO 13 3.382 4.370 2.501 87 H THR 14 H THR 14 3.796 0.636 2.079 88 HA THR 14 HA THR 14 5.093 -1.670 2.965 89 HB THR 14 HB THR 14 2.658 -1.737 1.207 90 HG1 THR 14 HG1 THR 14 1.481 -0.821 2.787 91 HG21 THR 14 HG21 THR 14 3.941 -3.493 3.173 92 HG22 THR 14 HG22 THR 14 2.806 -3.885 1.883 93 HG23 THR 14 HG23 THR 14 2.210 -3.281 3.430 94 HA PRO 15 HA PRO 15 7.413 -2.610 -0.749 95 HB2 PRO 15 HB2 PRO 15 8.028 -5.094 0.748 96 HB3 PRO 15 HB3 PRO 15 9.126 -3.900 0.052 97 HG2 PRO 15 HG2 PRO 15 8.769 -4.030 2.676 98 HG3 PRO 15 HG3 PRO 15 8.929 -2.466 1.857 99 HD2 PRO 15 HD2 PRO 15 6.454 -3.847 2.840 100 HD3 PRO 15 HD3 PRO 15 6.914 -2.133 2.963 101 H GLY 16 H GLY 16 5.399 -5.077 0.837 102 HA2 GLY 16 HA2 GLY 16 5.261 -6.680 -1.536 103 HA3 GLY 16 HA3 GLY 16 4.399 -6.972 -0.035 104 H CYS 17 H CYS 17 3.595 -3.975 -0.450 105 HA CYS 17 HA CYS 17 1.148 -4.625 -1.896 106 HB2 CYS 17 HB2 CYS 17 1.033 -3.620 0.364 107 HB3 CYS 17 HB3 CYS 17 1.874 -2.202 -0.241 108 H ASP 18 H ASP 18 0.372 -3.258 -3.577 109 HA ASP 18 HA ASP 18 2.579 -2.102 -5.108 110 HB2 ASP 18 HB2 ASP 18 1.494 -2.725 -7.027 111 HB3 ASP 18 HB3 ASP 18 0.836 -3.927 -5.925 112 H GLY 19 H GLY 19 -0.137 -1.144 -3.305 113 HA2 GLY 19 HA2 GLY 19 -0.426 1.105 -2.661 114 HA3 GLY 19 HA3 GLY 19 0.382 1.607 -4.133 115 H SER 20 H SER 20 -1.822 -0.661 -5.064 116 HA SER 20 HA SER 20 -3.803 1.440 -5.637 117 HB2 SER 20 HB2 SER 20 -3.716 -1.186 -7.089 118 HB3 SER 20 HB3 SER 20 -4.332 0.372 -7.643 119 HG SER 20 HG SER 20 -1.711 -0.608 -7.565 120 H GLY 21 H GLY 21 -6.032 0.927 -5.480 121 HA2 GLY 21 HA2 GLY 21 -7.893 -0.097 -4.568 122 HA3 GLY 21 HA3 GLY 21 -6.914 -1.532 -4.303 123 H HIS 22 H HIS 22 -8.405 -1.378 -2.375 124 HA HIS 22 HA HIS 22 -6.819 -0.429 -0.141 125 HB2 HIS 22 HB2 HIS 22 -9.448 0.749 -0.862 126 HB3 HIS 22 HB3 HIS 22 -9.244 0.313 0.826 127 HD1 HIS 22 HD1 HIS 22 -8.382 2.120 2.224 128 HD2 HIS 22 HD2 HIS 22 -7.150 2.547 -1.728 129 HE1 HIS 22 HE1 HIS 22 -7.185 4.319 2.123 130 HE2 HIS 22 HE2 HIS 22 -6.554 4.625 -0.295 131 H ILE 23 H ILE 23 -7.505 -1.409 1.882 132 HA ILE 23 HA ILE 23 -8.497 -4.079 1.560 133 HB ILE 23 HB ILE 23 -7.116 -2.608 3.584 134 HG12 ILE 23 HG12 ILE 23 -6.354 -4.717 2.711 135 HG13 ILE 23 HG13 ILE 23 -6.634 -4.894 4.440 136 HG21 ILE 23 HG21 ILE 23 -9.445 -4.150 4.713 137 HG22 ILE 23 HG22 ILE 23 -8.171 -3.330 5.614 138 HG23 ILE 23 HG23 ILE 23 -9.330 -2.391 4.673 139 HD11 ILE 23 HD11 ILE 23 -7.586 -6.523 2.408 140 HD12 ILE 23 HD12 ILE 23 -8.078 -6.539 4.101 141 HD13 ILE 23 HD13 ILE 23 -8.987 -5.588 2.928 142 H THR 24 H THR 24 -9.799 -0.982 2.498 143 HA THR 24 HA THR 24 -12.272 -1.884 3.541 144 HB THR 24 HB THR 24 -11.408 0.385 3.983 145 HG1 THR 24 HG1 THR 24 -13.748 -0.128 3.981 146 HG21 THR 24 HG21 THR 24 -11.320 0.497 1.101 147 HG22 THR 24 HG22 THR 24 -10.564 1.552 2.292 148 HG23 THR 24 HG23 THR 24 -12.219 1.857 1.771 149 H GLY 25 H GLY 25 -11.071 -1.475 0.316 150 HA2 GLY 25 HA2 GLY 25 -11.996 -2.002 -1.722 151 HA3 GLY 25 HA3 GLY 25 -13.324 -2.753 -0.844 152 H ASN 26 H ASN 26 -12.155 0.589 -0.972 153 HA ASN 26 HA ASN 26 -14.730 1.446 -2.077 154 HB2 ASN 26 HB2 ASN 26 -13.623 2.047 0.626 155 HB3 ASN 26 HB3 ASN 26 -14.496 3.325 -0.206 156 HD21 ASN 26 HD21 ASN 26 -14.773 0.754 1.830 157 HD22 ASN 26 HD22 ASN 26 -16.473 0.487 1.686 158 H TYR 27 H TYR 27 -11.527 1.546 -2.479 159 HA TYR 27 HA TYR 27 -11.584 4.256 -3.581 160 HB2 TYR 27 HB2 TYR 27 -9.408 3.081 -1.846 161 HB3 TYR 27 HB3 TYR 27 -9.268 4.575 -2.746 162 HD1 TYR 27 HD2 TYR 27 -10.457 6.583 -2.034 163 HD2 TYR 27 HD1 TYR 27 -10.770 2.954 0.165 164 HE1 TYR 27 HE2 TYR 27 -11.425 7.816 -0.142 165 HE2 TYR 27 HE1 TYR 27 -11.729 4.183 2.064 166 HH TYR 27 HH TYR 27 -12.628 7.560 1.802 167 H ALA 28 H ALA 28 -9.795 4.629 -5.143 168 HA ALA 28 HA ALA 28 -9.464 2.277 -6.815 169 HB1 ALA 28 HB1 ALA 28 -9.915 3.951 -8.255 170 HB2 ALA 28 HB2 ALA 28 -9.256 5.192 -7.189 171 HB3 ALA 28 HB3 ALA 28 -8.173 4.210 -8.176 172 H SER 29 H SER 29 -7.452 4.500 -4.956 173 HA SER 29 HA SER 29 -5.349 2.536 -4.800 174 HB2 SER 29 HB2 SER 29 -3.859 4.734 -5.618 175 HB3 SER 29 HB3 SER 29 -4.187 3.290 -6.576 176 HG SER 29 HG SER 29 -6.144 5.290 -6.543 177 H HIS 30 H HIS 30 -3.385 3.590 -3.621 178 HA HIS 30 HA HIS 30 -4.158 5.752 -1.837 179 HB2 HIS 30 HB2 HIS 30 -3.441 4.477 0.167 180 HB3 HIS 30 HB3 HIS 30 -4.889 3.826 -0.577 181 HD1 HIS 30 HD1 HIS 30 -4.599 1.492 -1.870 182 HD2 HIS 30 HD2 HIS 30 -1.327 2.792 0.357 183 HE1 HIS 30 HE1 HIS 30 -3.037 -0.495 -1.645 184 H ARG 31 H ARG 31 -2.037 5.706 -0.092 185 HA ARG 31 HA ARG 31 0.416 5.509 -1.639 186 HB2 ARG 31 HB2 ARG 31 -1.057 7.878 -1.654 187 HB3 ARG 31 HB3 ARG 31 0.223 8.162 -0.482 188 HG2 ARG 31 HG2 ARG 31 1.750 8.374 -2.072 189 HG3 ARG 31 HG3 ARG 31 1.219 6.902 -2.883 190 HD2 ARG 31 HD2 ARG 31 -0.405 9.401 -3.108 191 HD3 ARG 31 HD3 ARG 31 1.032 9.192 -4.107 192 HE ARG 31 HE ARG 31 -0.118 6.994 -4.762 193 HH11 ARG 31 HH12 ARG 31 -1.775 9.999 -4.038 194 HH12 ARG 31 HH11 ARG 31 -3.139 9.632 -5.056 195 HH21 ARG 31 HH22 ARG 31 -1.916 6.497 -6.071 196 HH22 ARG 31 HH21 ARG 31 -3.228 7.639 -6.211 197 H SER 32 H SER 32 -1.041 4.898 1.139 198 HA SER 32 HA SER 32 1.438 5.025 2.643 199 HB2 SER 32 HB2 SER 32 -0.717 5.868 4.377 200 HB3 SER 32 HB3 SER 32 0.863 6.601 4.123 201 HG SER 32 HG SER 32 -1.200 6.911 2.219 202 H LEU 33 H LEU 33 1.162 3.895 4.823 203 HA LEU 33 HA LEU 33 0.030 1.325 4.344 204 HB2 LEU 33 HB2 LEU 33 1.847 2.580 6.213 205 HB3 LEU 33 HB3 LEU 33 0.736 1.508 7.043 206 HG LEU 33 HG LEU 33 2.234 0.565 4.635 207 HD11 LEU 33 HD11 LEU 33 3.618 1.608 6.674 208 HD12 LEU 33 HD12 LEU 33 3.362 -0.021 7.295 209 HD13 LEU 33 HD13 LEU 33 4.167 0.215 5.745 210 HD21 LEU 33 HD21 LEU 33 1.017 -0.759 7.054 211 HD22 LEU 33 HD22 LEU 33 0.471 -0.871 5.381 212 HD23 LEU 33 HD23 LEU 33 2.002 -1.604 5.859 213 H SER 34 H SER 34 -2.045 3.196 4.341 214 HA SER 34 HA SER 34 -3.449 2.644 6.865 215 HB2 SER 34 HB2 SER 34 -4.627 4.573 4.956 216 HB3 SER 34 HB3 SER 34 -4.475 4.671 6.712 217 HG SER 34 HG SER 34 -2.205 5.100 6.350 218 H GLY 35 H GLY 35 -3.838 2.686 3.337 219 HA2 GLY 35 HA2 GLY 35 -6.131 0.862 3.674 220 HA3 GLY 35 HA3 GLY 35 -5.938 1.975 2.327 221 H CYS 36 H CYS 36 -3.284 0.089 3.568 222 HA CYS 36 HA CYS 36 -2.698 -1.040 1.038 223 HB2 CYS 36 HB2 CYS 36 -1.650 -1.440 3.825 224 HB3 CYS 36 HB3 CYS 36 -1.125 -2.495 2.514 225 HA PRO 37 HA PRO 37 -5.473 -4.574 1.608 226 HB2 PRO 37 HB2 PRO 37 -5.464 -5.352 -0.968 227 HB3 PRO 37 HB3 PRO 37 -6.446 -3.996 -0.405 228 HG2 PRO 37 HG2 PRO 37 -3.853 -3.979 -1.878 229 HG3 PRO 37 HG3 PRO 37 -5.249 -2.897 -2.043 230 HD2 PRO 37 HD2 PRO 37 -2.945 -2.293 -0.634 231 HD3 PRO 37 HD3 PRO 37 -4.520 -1.522 -0.380 232 H ARG 38 H ARG 38 -2.285 -4.270 0.310 233 HA ARG 38 HA ARG 38 -1.775 -7.137 0.759 234 HB2 ARG 38 HB2 ARG 38 -0.603 -5.136 -1.121 235 HB3 ARG 38 HB3 ARG 38 0.445 -6.404 -0.498 236 HG2 ARG 38 HG2 ARG 38 -0.745 -8.083 -1.556 237 HG3 ARG 38 HG3 ARG 38 -2.197 -7.093 -1.713 238 HD2 ARG 38 HD2 ARG 38 -0.311 -5.664 -3.116 239 HD3 ARG 38 HD3 ARG 38 0.104 -7.338 -3.481 240 HE ARG 38 HE ARG 38 -2.677 -6.972 -3.762 241 HH11 ARG 38 HH12 ARG 38 0.354 -6.215 -5.354 242 HH12 ARG 38 HH11 ARG 38 -0.382 -6.018 -6.924 243 HH21 ARG 38 HH22 ARG 38 -3.635 -6.740 -5.823 244 HH22 ARG 38 HH21 ARG 38 -2.640 -6.315 -7.187 245 H ALA 39 H ALA 39 -2.034 -5.355 2.887 246 HA ALA 39 HA ALA 39 0.211 -4.051 3.781 247 HB1 ALA 39 HB1 ALA 39 -1.913 -3.821 4.886 248 HB2 ALA 39 HB2 ALA 39 -1.862 -5.502 5.417 249 HB3 ALA 39 HB3 ALA 39 -0.699 -4.341 6.053 250 H LYS 40 H LYS 40 1.870 -4.528 5.151 251 HA LYS 40 HA LYS 40 3.506 -6.598 4.682 252 HB2 LYS 40 HB2 LYS 40 3.161 -4.936 7.159 253 HB3 LYS 40 HB3 LYS 40 4.391 -6.191 7.090 254 HG2 LYS 40 HG2 LYS 40 5.747 -4.727 6.145 255 HG3 LYS 40 HG3 LYS 40 4.689 -4.726 4.730 256 HD2 LYS 40 HD2 LYS 40 4.279 -2.575 5.138 257 HD3 LYS 40 HD3 LYS 40 3.423 -3.079 6.598 258 HE2 LYS 40 HE2 LYS 40 6.382 -2.858 6.726 259 HE3 LYS 40 HE3 LYS 40 5.451 -1.364 6.664 260 HZ1 LYS 40 HZ1 LYS 40 5.217 -1.599 8.844 261 HZ2 LYS 40 HZ2 LYS 40 5.803 -3.192 8.828 262 HZ3 LYS 40 HZ3 LYS 40 4.161 -2.890 8.527 263 H LYS 41 H LYS 41 3.267 -8.690 4.804 264 HA LYS 41 HA LYS 41 1.685 -9.828 7.000 265 HB2 LYS 41 HB2 LYS 41 1.468 -10.158 4.204 266 HB3 LYS 41 HB3 LYS 41 2.096 -11.676 4.835 267 HG2 LYS 41 HG2 LYS 41 -0.001 -12.215 5.301 268 HG3 LYS 41 HG3 LYS 41 0.067 -11.012 6.591 269 HD2 LYS 41 HD2 LYS 41 -0.426 -9.527 4.306 270 HD3 LYS 41 HD3 LYS 41 -1.405 -10.980 4.091 271 HE2 LYS 41 HE2 LYS 41 -1.452 -9.087 6.438 272 HE3 LYS 41 HE3 LYS 41 -2.710 -9.300 5.222 273 HZ1 LYS 41 HZ1 LYS 41 -2.915 -10.469 7.507 274 HZ2 LYS 41 HZ2 LYS 41 -1.854 -11.608 6.840 275 HZ3 LYS 41 HZ3 LYS 41 -3.350 -11.307 6.100 276 H SER 42 H SER 42 2.498 -12.511 6.475 277 HA SER 42 HA SER 42 4.666 -12.692 8.206 278 HB2 SER 42 HB2 SER 42 4.340 -15.056 6.553 279 HB3 SER 42 HB3 SER 42 4.015 -14.835 8.274 280 HG SER 42 HG SER 42 1.969 -14.361 7.869 281 H GLY 43 H GLY 43 4.582 -12.668 4.679 282 HA2 GLY 43 HA2 GLY 43 7.444 -13.319 4.594 283 HA3 GLY 43 HA3 GLY 43 6.351 -13.283 3.220 284 H LEU 44 H LEU 44 5.372 -10.612 4.434 285 HA LEU 44 HA LEU 44 7.442 -9.009 3.108 286 HB2 LEU 44 HB2 LEU 44 4.834 -7.791 3.799 287 HB3 LEU 44 HB3 LEU 44 5.840 -7.560 2.384 288 HG LEU 44 HG LEU 44 4.333 -10.123 2.777 289 HD11 LEU 44 HD11 LEU 44 2.529 -9.126 1.389 290 HD12 LEU 44 HD12 LEU 44 2.639 -8.443 3.012 291 HD13 LEU 44 HD13 LEU 44 3.273 -7.545 1.630 292 HD21 LEU 44 HD21 LEU 44 5.698 -8.701 0.549 293 HD22 LEU 44 HD22 LEU 44 5.730 -10.408 0.991 294 HD23 LEU 44 HD23 LEU 44 4.318 -9.734 0.178 295 H ARG 45 H ARG 45 8.736 -9.120 5.057 296 HA ARG 45 HA ARG 45 9.587 -8.292 6.986 297 HB2 ARG 45 HB2 ARG 45 9.199 -6.197 5.504 298 HB3 ARG 45 HB3 ARG 45 7.894 -5.842 6.627 299 HG2 ARG 45 HG2 ARG 45 9.679 -4.644 7.482 300 HG3 ARG 45 HG3 ARG 45 9.678 -6.111 8.460 301 HD2 ARG 45 HD2 ARG 45 11.922 -5.282 7.556 302 HD3 ARG 45 HD3 ARG 45 11.536 -6.990 7.355 303 HE ARG 45 HE ARG 45 11.139 -5.022 5.188 304 HH11 ARG 45 HH12 ARG 45 12.456 -8.052 6.380 305 HH12 ARG 45 HH11 ARG 45 12.926 -8.614 4.799 306 HH21 ARG 45 HH22 ARG 45 11.753 -5.762 3.120 307 HH22 ARG 45 HH21 ARG 45 12.498 -7.324 2.940 308 H VAL 46 H VAL 46 8.139 -10.016 7.946 309 HA VAL 46 HA VAL 46 5.794 -9.220 9.348 310 HB VAL 46 HB VAL 46 6.325 -11.592 8.732 311 HG11 VAL 46 HG11 VAL 46 8.339 -12.363 9.260 312 HG12 VAL 46 HG12 VAL 46 8.619 -11.061 10.416 313 HG13 VAL 46 HG13 VAL 46 7.746 -12.510 10.914 314 HG21 VAL 46 HG21 VAL 46 5.503 -10.738 11.457 315 HG22 VAL 46 HG22 VAL 46 4.568 -11.525 10.187 316 HG23 VAL 46 HG23 VAL 46 5.717 -12.460 11.140 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 1.864 -8.068 -6.470 2 H2 GLY 1 H2 GLY 1 3.274 -8.892 -6.011 3 H3 GLY 1 H3 GLY 1 3.189 -8.140 -7.529 4 HA2 GLY 1 HA3 GLY 1 3.013 -6.676 -4.963 5 HA3 GLY 1 HA2 GLY 1 4.517 -6.911 -5.845 6 H SER 2 H SER 2 5.069 -5.159 -6.950 7 HA SER 2 HA SER 2 3.006 -3.298 -7.831 8 HB2 SER 2 HB2 SER 2 5.508 -2.335 -8.630 9 HB3 SER 2 HB3 SER 2 4.602 -1.847 -7.196 10 HG SER 2 HG SER 2 5.913 -2.973 -5.963 11 H MET 3 H MET 3 2.179 -3.433 -9.813 12 HA MET 3 HA MET 3 3.526 -5.021 -11.841 13 HB2 MET 3 HB2 MET 3 0.987 -5.027 -11.295 14 HB3 MET 3 HB3 MET 3 0.940 -3.552 -12.251 15 HG2 MET 3 HG2 MET 3 2.104 -4.910 -14.072 16 HG3 MET 3 HG3 MET 3 1.645 -6.325 -13.128 17 HE1 MET 3 HE1 MET 3 0.671 -5.351 -16.308 18 HE2 MET 3 HE2 MET 3 -0.781 -4.352 -16.245 19 HE3 MET 3 HE3 MET 3 0.748 -3.725 -15.628 20 H ALA 4 H ALA 4 2.369 -1.698 -11.400 21 HA ALA 4 HA ALA 4 4.068 -0.898 -13.679 22 HB1 ALA 4 HB1 ALA 4 1.314 -0.248 -12.988 23 HB2 ALA 4 HB2 ALA 4 2.303 1.173 -13.326 24 HB3 ALA 4 HB3 ALA 4 2.161 -0.109 -14.530 25 H ALA 5 H ALA 5 3.945 -0.879 -10.419 26 HA ALA 5 HA ALA 5 5.178 1.776 -10.157 27 HB1 ALA 5 HB1 ALA 5 4.158 -0.010 -7.953 28 HB2 ALA 5 HB2 ALA 5 4.679 1.667 -7.807 29 HB3 ALA 5 HB3 ALA 5 3.218 1.273 -8.711 30 H HIS 6 H HIS 6 6.801 1.652 -8.128 31 HA HIS 6 HA HIS 6 8.526 -0.696 -8.422 32 HB2 HIS 6 HB2 HIS 6 9.102 1.859 -9.540 33 HB3 HIS 6 HB3 HIS 6 10.198 1.612 -8.184 34 HD1 HIS 6 HD1 HIS 6 12.321 0.612 -8.911 35 HD2 HIS 6 HD2 HIS 6 9.119 -0.727 -11.207 36 HE1 HIS 6 HE1 HIS 6 13.307 -0.973 -10.600 37 HE2 HIS 6 HE2 HIS 6 11.378 -1.605 -12.101 38 H SER 7 H SER 7 10.391 -0.504 -6.750 39 HA SER 7 HA SER 7 9.127 -0.125 -4.194 40 HB2 SER 7 HB2 SER 7 11.918 -0.754 -3.979 41 HB3 SER 7 HB3 SER 7 10.526 -1.777 -3.620 42 HG SER 7 HG SER 7 12.076 -2.481 -5.333 43 H ALA 8 H ALA 8 8.951 2.256 -4.687 44 HA ALA 8 HA ALA 8 11.115 3.635 -3.312 45 HB1 ALA 8 HB1 ALA 8 10.754 5.535 -5.097 46 HB2 ALA 8 HB2 ALA 8 11.902 4.227 -5.387 47 HB3 ALA 8 HB3 ALA 8 10.303 4.176 -6.131 48 H ASP 9 H ASP 9 10.329 6.066 -3.024 49 HA ASP 9 HA ASP 9 7.774 5.846 -1.713 50 HB2 ASP 9 HB2 ASP 9 9.939 7.176 -0.993 51 HB3 ASP 9 HB3 ASP 9 9.208 8.460 -1.952 52 H LEU 10 H LEU 10 7.586 5.556 -4.462 53 HA LEU 10 HA LEU 10 6.151 7.948 -5.368 54 HB2 LEU 10 HB2 LEU 10 6.108 7.002 -7.518 55 HB3 LEU 10 HB3 LEU 10 7.706 6.619 -6.905 56 HG LEU 10 HG LEU 10 5.830 4.498 -6.295 57 HD11 LEU 10 HD11 LEU 10 4.999 5.620 -8.538 58 HD12 LEU 10 HD12 LEU 10 6.329 4.678 -9.214 59 HD13 LEU 10 HD13 LEU 10 5.034 3.870 -8.331 60 HD21 LEU 10 HD21 LEU 10 7.551 3.120 -7.139 61 HD22 LEU 10 HD22 LEU 10 8.245 4.435 -8.083 62 HD23 LEU 10 HD23 LEU 10 8.356 4.460 -6.325 63 H LYS 11 H LYS 11 5.792 4.967 -3.832 64 HA LYS 11 HA LYS 11 2.893 5.203 -3.945 65 HB2 LYS 11 HB2 LYS 11 3.001 2.556 -3.814 66 HB3 LYS 11 HB3 LYS 11 3.048 3.382 -5.357 67 HG2 LYS 11 HG2 LYS 11 4.743 1.891 -5.624 68 HG3 LYS 11 HG3 LYS 11 5.638 3.272 -4.987 69 HD2 LYS 11 HD2 LYS 11 6.391 1.347 -3.807 70 HD3 LYS 11 HD3 LYS 11 5.365 2.263 -2.701 71 HE2 LYS 11 HE2 LYS 11 3.584 0.575 -3.942 72 HE3 LYS 11 HE3 LYS 11 5.028 -0.425 -3.778 73 HZ1 LYS 11 HZ1 LYS 11 4.786 0.854 -1.372 74 HZ2 LYS 11 HZ2 LYS 11 4.387 -0.759 -1.691 75 HZ3 LYS 11 HZ3 LYS 11 3.189 0.444 -1.771 76 H CYS 12 H CYS 12 2.426 3.040 -2.186 77 HA CYS 12 HA CYS 12 2.839 4.328 0.261 78 HB2 CYS 12 HB2 CYS 12 1.826 2.114 1.113 79 HB3 CYS 12 HB3 CYS 12 0.863 3.109 0.032 80 HA PRO 13 HA PRO 13 6.485 2.640 2.050 81 HB2 PRO 13 HB2 PRO 13 4.959 1.609 4.363 82 HB3 PRO 13 HB3 PRO 13 6.234 2.822 4.317 83 HG2 PRO 13 HG2 PRO 13 3.694 3.507 4.748 84 HG3 PRO 13 HG3 PRO 13 4.791 4.536 3.803 85 HD2 PRO 13 HD2 PRO 13 2.638 2.688 2.857 86 HD3 PRO 13 HD3 PRO 13 3.102 4.291 2.254 87 H THR 14 H THR 14 3.715 0.472 2.107 88 HA THR 14 HA THR 14 5.010 -1.871 2.890 89 HB THR 14 HB THR 14 2.610 -1.840 1.080 90 HG1 THR 14 HG1 THR 14 1.419 -0.987 2.657 91 HG21 THR 14 HG21 THR 14 3.687 -3.626 3.230 92 HG22 THR 14 HG22 THR 14 3.117 -4.043 1.614 93 HG23 THR 14 HG23 THR 14 1.960 -3.610 2.874 94 HA PRO 15 HA PRO 15 7.393 -2.731 -0.820 95 HB2 PRO 15 HB2 PRO 15 7.930 -5.253 0.630 96 HB3 PRO 15 HB3 PRO 15 9.063 -4.052 0.005 97 HG2 PRO 15 HG2 PRO 15 8.634 -4.269 2.613 98 HG3 PRO 15 HG3 PRO 15 8.833 -2.677 1.856 99 HD2 PRO 15 HD2 PRO 15 6.304 -4.074 2.677 100 HD3 PRO 15 HD3 PRO 15 6.784 -2.383 2.937 101 H GLY 16 H GLY 16 5.253 -5.119 0.728 102 HA2 GLY 16 HA2 GLY 16 5.125 -6.770 -1.609 103 HA3 GLY 16 HA3 GLY 16 4.164 -6.956 -0.152 104 H CYS 17 H CYS 17 3.353 -4.059 -0.466 105 HA CYS 17 HA CYS 17 1.095 -4.559 -2.228 106 HB2 CYS 17 HB2 CYS 17 0.679 -3.664 0.008 107 HB3 CYS 17 HB3 CYS 17 1.714 -2.288 -0.330 108 H ASP 18 H ASP 18 0.407 -2.611 -3.596 109 HA ASP 18 HA ASP 18 2.802 -1.502 -4.916 110 HB2 ASP 18 HB2 ASP 18 2.007 -2.022 -7.008 111 HB3 ASP 18 HB3 ASP 18 1.335 -3.364 -6.088 112 H GLY 19 H GLY 19 -0.214 -0.856 -3.473 113 HA2 GLY 19 HA2 GLY 19 -0.692 1.379 -2.771 114 HA3 GLY 19 HA3 GLY 19 0.114 1.970 -4.215 115 H SER 20 H SER 20 -1.722 -0.532 -5.282 116 HA SER 20 HA SER 20 -3.908 1.296 -5.993 117 HB2 SER 20 HB2 SER 20 -3.340 -1.385 -7.253 118 HB3 SER 20 HB3 SER 20 -4.322 -0.068 -7.897 119 HG SER 20 HG SER 20 -1.547 -0.382 -7.831 120 H GLY 21 H GLY 21 -5.960 0.924 -5.395 121 HA2 GLY 21 HA2 GLY 21 -7.794 -0.316 -4.648 122 HA3 GLY 21 HA3 GLY 21 -6.724 -1.674 -4.337 123 H HIS 22 H HIS 22 -8.196 -1.638 -2.410 124 HA HIS 22 HA HIS 22 -6.721 -0.579 -0.166 125 HB2 HIS 22 HB2 HIS 22 -9.376 0.537 -0.933 126 HB3 HIS 22 HB3 HIS 22 -9.155 0.145 0.762 127 HD1 HIS 22 HD1 HIS 22 -8.249 1.963 2.147 128 HD2 HIS 22 HD2 HIS 22 -7.251 2.455 -1.862 129 HE1 HIS 22 HE1 HIS 22 -7.159 4.218 1.992 130 HE2 HIS 22 HE2 HIS 22 -6.708 4.571 -0.461 131 H ILE 23 H ILE 23 -7.310 -1.690 1.804 132 HA ILE 23 HA ILE 23 -8.368 -4.324 1.391 133 HB ILE 23 HB ILE 23 -6.977 -2.928 3.505 134 HG12 ILE 23 HG12 ILE 23 -5.980 -4.836 2.553 135 HG13 ILE 23 HG13 ILE 23 -6.479 -5.345 4.161 136 HG21 ILE 23 HG21 ILE 23 -8.161 -4.585 5.251 137 HG22 ILE 23 HG22 ILE 23 -8.617 -2.891 5.052 138 HG23 ILE 23 HG23 ILE 23 -9.551 -4.156 4.253 139 HD11 ILE 23 HD11 ILE 23 -8.605 -6.203 2.972 140 HD12 ILE 23 HD12 ILE 23 -7.629 -6.085 1.509 141 HD13 ILE 23 HD13 ILE 23 -7.106 -7.124 2.836 142 H THR 24 H THR 24 -9.590 -1.255 2.449 143 HA THR 24 HA THR 24 -12.026 -2.163 3.574 144 HB THR 24 HB THR 24 -11.057 0.082 4.013 145 HG1 THR 24 HG1 THR 24 -13.505 -0.530 3.966 146 HG21 THR 24 HG21 THR 24 -10.256 0.786 1.903 147 HG22 THR 24 HG22 THR 24 -11.596 1.864 2.295 148 HG23 THR 24 HG23 THR 24 -11.832 0.549 1.143 149 H GLY 25 H GLY 25 -10.947 -1.781 0.322 150 HA2 GLY 25 HA2 GLY 25 -11.970 -2.191 -1.690 151 HA3 GLY 25 HA3 GLY 25 -13.228 -3.007 -0.772 152 H ASN 26 H ASN 26 -12.253 0.386 -0.639 153 HA ASN 26 HA ASN 26 -14.900 1.146 -1.664 154 HB2 ASN 26 HB2 ASN 26 -13.626 1.799 0.958 155 HB3 ASN 26 HB3 ASN 26 -14.656 3.008 0.204 156 HD21 ASN 26 HD21 ASN 26 -14.701 0.826 2.483 157 HD22 ASN 26 HD22 ASN 26 -16.324 0.252 2.367 158 H TYR 27 H TYR 27 -11.781 1.368 -2.360 159 HA TYR 27 HA TYR 27 -11.996 4.141 -3.299 160 HB2 TYR 27 HB2 TYR 27 -9.707 2.875 -1.797 161 HB3 TYR 27 HB3 TYR 27 -9.534 4.343 -2.737 162 HD1 TYR 27 HD2 TYR 27 -11.029 2.867 0.274 163 HD2 TYR 27 HD1 TYR 27 -10.468 6.430 -1.985 164 HE1 TYR 27 HE2 TYR 27 -11.816 4.198 2.183 165 HE2 TYR 27 HE1 TYR 27 -11.252 7.767 -0.082 166 HH TYR 27 HH TYR 27 -12.606 7.520 1.893 167 H ALA 28 H ALA 28 -9.623 4.420 -4.548 168 HA ALA 28 HA ALA 28 -9.673 2.290 -6.585 169 HB1 ALA 28 HB1 ALA 28 -9.636 5.208 -6.780 170 HB2 ALA 28 HB2 ALA 28 -8.444 4.406 -7.803 171 HB3 ALA 28 HB3 ALA 28 -10.155 3.998 -7.956 172 H SER 29 H SER 29 -7.598 4.508 -4.745 173 HA SER 29 HA SER 29 -5.501 2.557 -4.643 174 HB2 SER 29 HB2 SER 29 -3.953 4.589 -5.650 175 HB3 SER 29 HB3 SER 29 -4.487 3.183 -6.571 176 HG SER 29 HG SER 29 -6.015 4.363 -7.549 177 H HIS 30 H HIS 30 -3.429 3.747 -3.702 178 HA HIS 30 HA HIS 30 -4.072 5.940 -1.921 179 HB2 HIS 30 HB2 HIS 30 -3.376 4.664 0.091 180 HB3 HIS 30 HB3 HIS 30 -4.866 4.050 -0.611 181 HD1 HIS 30 HD1 HIS 30 -4.709 1.683 -1.816 182 HD2 HIS 30 HD2 HIS 30 -1.252 2.936 0.135 183 HE1 HIS 30 HE1 HIS 30 -3.173 -0.329 -1.692 184 H ARG 31 H ARG 31 -1.874 5.791 -0.245 185 HA ARG 31 HA ARG 31 0.503 5.265 -1.803 186 HB2 ARG 31 HB2 ARG 31 -0.633 7.728 -2.185 187 HB3 ARG 31 HB3 ARG 31 0.501 8.053 -0.880 188 HG2 ARG 31 HG2 ARG 31 1.748 6.454 -2.905 189 HG3 ARG 31 HG3 ARG 31 1.043 7.909 -3.612 190 HD2 ARG 31 HD2 ARG 31 2.960 7.799 -1.283 191 HD3 ARG 31 HD3 ARG 31 3.348 8.309 -2.925 192 HE ARG 31 HE ARG 31 1.489 10.068 -2.400 193 HH11 ARG 31 HH12 ARG 31 3.947 8.852 -0.220 194 HH12 ARG 31 HH11 ARG 31 4.053 10.328 0.695 195 HH21 ARG 31 HH22 ARG 31 1.604 12.016 -1.178 196 HH22 ARG 31 HH21 ARG 31 2.697 12.110 0.173 197 H SER 32 H SER 32 -0.956 4.975 0.950 198 HA SER 32 HA SER 32 1.514 5.054 2.485 199 HB2 SER 32 HB2 SER 32 -0.595 5.915 4.224 200 HB3 SER 32 HB3 SER 32 0.906 6.744 3.821 201 HG SER 32 HG SER 32 -0.090 7.881 2.289 202 H LEU 33 H LEU 33 1.199 3.906 4.650 203 HA LEU 33 HA LEU 33 -0.003 1.379 4.154 204 HB2 LEU 33 HB2 LEU 33 1.790 2.583 6.087 205 HB3 LEU 33 HB3 LEU 33 0.643 1.508 6.864 206 HG LEU 33 HG LEU 33 2.118 0.554 4.459 207 HD11 LEU 33 HD11 LEU 33 3.425 1.542 6.751 208 HD12 LEU 33 HD12 LEU 33 3.493 -0.219 6.836 209 HD13 LEU 33 HD13 LEU 33 4.115 0.620 5.414 210 HD21 LEU 33 HD21 LEU 33 1.878 -1.595 5.588 211 HD22 LEU 33 HD22 LEU 33 1.150 -0.795 6.982 212 HD23 LEU 33 HD23 LEU 33 0.313 -0.797 5.429 213 H SER 34 H SER 34 -1.895 3.620 4.300 214 HA SER 34 HA SER 34 -3.429 2.979 6.709 215 HB2 SER 34 HB2 SER 34 -4.556 5.031 4.983 216 HB3 SER 34 HB3 SER 34 -4.093 5.126 6.682 217 HG SER 34 HG SER 34 -1.909 5.405 5.969 218 H GLY 35 H GLY 35 -3.320 2.379 3.341 219 HA2 GLY 35 HA2 GLY 35 -5.945 1.078 3.524 220 HA3 GLY 35 HA3 GLY 35 -5.657 2.233 2.233 221 H CYS 36 H CYS 36 -3.093 0.155 3.317 222 HA CYS 36 HA CYS 36 -2.689 -0.944 0.744 223 HB2 CYS 36 HB2 CYS 36 -1.583 -1.554 3.475 224 HB3 CYS 36 HB3 CYS 36 -1.137 -2.521 2.066 225 HA PRO 37 HA PRO 37 -5.719 -4.259 1.152 226 HB2 PRO 37 HB2 PRO 37 -5.396 -5.216 -1.365 227 HB3 PRO 37 HB3 PRO 37 -6.368 -3.784 -1.010 228 HG2 PRO 37 HG2 PRO 37 -3.589 -3.975 -2.081 229 HG3 PRO 37 HG3 PRO 37 -4.889 -2.851 -2.521 230 HD2 PRO 37 HD2 PRO 37 -2.808 -2.199 -0.857 231 HD3 PRO 37 HD3 PRO 37 -4.403 -1.429 -0.799 232 H ARG 38 H ARG 38 -2.373 -4.261 0.613 233 HA ARG 38 HA ARG 38 -2.221 -7.135 1.223 234 HB2 ARG 38 HB2 ARG 38 -0.422 -5.441 -0.504 235 HB3 ARG 38 HB3 ARG 38 0.111 -6.971 0.180 236 HG2 ARG 38 HG2 ARG 38 -0.988 -8.148 -1.354 237 HG3 ARG 38 HG3 ARG 38 -2.452 -7.174 -1.172 238 HD2 ARG 38 HD2 ARG 38 -0.583 -5.507 -2.409 239 HD3 ARG 38 HD3 ARG 38 -0.417 -7.068 -3.207 240 HE ARG 38 HE ARG 38 -3.080 -6.724 -3.214 241 HH11 ARG 38 HH12 ARG 38 -0.464 -4.589 -4.113 242 HH12 ARG 38 HH11 ARG 38 -1.396 -3.713 -5.294 243 HH21 ARG 38 HH22 ARG 38 -4.312 -5.611 -4.759 244 HH22 ARG 38 HH21 ARG 38 -3.582 -4.342 -5.697 245 H ALA 39 H ALA 39 -2.576 -5.238 3.179 246 HA ALA 39 HA ALA 39 -0.370 -4.049 4.321 247 HB1 ALA 39 HB1 ALA 39 -2.125 -5.240 6.312 248 HB2 ALA 39 HB2 ALA 39 -1.778 -3.544 5.973 249 HB3 ALA 39 HB3 ALA 39 -3.000 -4.399 5.032 250 H LYS 40 H LYS 40 1.264 -4.659 5.622 251 HA LYS 40 HA LYS 40 2.294 -7.217 5.329 252 HB2 LYS 40 HB2 LYS 40 3.234 -5.650 7.668 253 HB3 LYS 40 HB3 LYS 40 4.159 -6.451 6.407 254 HG2 LYS 40 HG2 LYS 40 2.956 -4.453 5.004 255 HG3 LYS 40 HG3 LYS 40 3.189 -3.694 6.581 256 HD2 LYS 40 HD2 LYS 40 5.470 -5.213 5.442 257 HD3 LYS 40 HD3 LYS 40 5.064 -3.669 4.691 258 HE2 LYS 40 HE2 LYS 40 5.336 -3.880 7.664 259 HE3 LYS 40 HE3 LYS 40 6.770 -3.728 6.651 260 HZ1 LYS 40 HZ1 LYS 40 5.993 -1.658 5.817 261 HZ2 LYS 40 HZ2 LYS 40 5.881 -1.594 7.508 262 HZ3 LYS 40 HZ3 LYS 40 4.486 -1.838 6.576 263 H LYS 41 H LYS 41 0.176 -5.977 7.758 264 HA LYS 41 HA LYS 41 -0.937 -6.909 9.487 265 HB2 LYS 41 HB2 LYS 41 0.029 -9.468 8.215 266 HB3 LYS 41 HB3 LYS 41 -1.027 -9.435 9.620 267 HG2 LYS 41 HG2 LYS 41 -1.640 -8.307 6.896 268 HG3 LYS 41 HG3 LYS 41 -2.307 -9.782 7.595 269 HD2 LYS 41 HD2 LYS 41 -2.633 -7.219 9.082 270 HD3 LYS 41 HD3 LYS 41 -3.637 -7.506 7.662 271 HE2 LYS 41 HE2 LYS 41 -3.648 -9.870 9.223 272 HE3 LYS 41 HE3 LYS 41 -3.950 -8.511 10.305 273 HZ1 LYS 41 HZ1 LYS 41 -5.421 -8.554 7.786 274 HZ2 LYS 41 HZ2 LYS 41 -5.918 -8.044 9.325 275 HZ3 LYS 41 HZ3 LYS 41 -5.872 -9.698 8.957 276 H SER 42 H SER 42 1.652 -9.332 9.426 277 HA SER 42 HA SER 42 2.311 -8.915 12.171 278 HB2 SER 42 HB2 SER 42 4.433 -10.191 10.706 279 HB3 SER 42 HB3 SER 42 3.320 -10.903 11.873 280 HG SER 42 HG SER 42 1.918 -11.406 10.252 281 H GLY 43 H GLY 43 2.907 -6.813 12.538 282 HA2 GLY 43 HA2 GLY 43 4.361 -5.021 12.645 283 HA3 GLY 43 HA3 GLY 43 5.519 -5.944 11.693 284 H LEU 44 H LEU 44 2.256 -4.566 11.235 285 HA LEU 44 HA LEU 44 2.749 -4.244 8.446 286 HB2 LEU 44 HB2 LEU 44 0.519 -2.951 8.545 287 HB3 LEU 44 HB3 LEU 44 0.523 -4.676 8.843 288 HG LEU 44 HG LEU 44 0.764 -3.726 11.382 289 HD11 LEU 44 HD11 LEU 44 0.371 -1.408 10.171 290 HD12 LEU 44 HD12 LEU 44 -1.314 -1.914 10.279 291 HD13 LEU 44 HD13 LEU 44 -0.343 -1.765 11.743 292 HD21 LEU 44 HD21 LEU 44 -1.808 -4.161 9.867 293 HD22 LEU 44 HD22 LEU 44 -0.798 -5.432 10.556 294 HD23 LEU 44 HD23 LEU 44 -1.591 -4.265 11.615 295 H ARG 45 H ARG 45 2.590 -1.974 11.175 296 HA ARG 45 HA ARG 45 3.793 0.017 9.373 297 HB2 ARG 45 HB2 ARG 45 1.259 0.271 10.153 298 HB3 ARG 45 HB3 ARG 45 2.034 0.984 11.561 299 HG2 ARG 45 HG2 ARG 45 3.349 2.232 9.532 300 HG3 ARG 45 HG3 ARG 45 1.737 2.026 8.843 301 HD2 ARG 45 HD2 ARG 45 1.480 4.034 9.914 302 HD3 ARG 45 HD3 ARG 45 0.964 2.922 11.179 303 HE ARG 45 HE ARG 45 3.516 3.161 11.804 304 HH11 ARG 45 HH12 ARG 45 1.214 5.623 10.861 305 HH12 ARG 45 HH11 ARG 45 2.012 6.892 11.746 306 HH21 ARG 45 HH22 ARG 45 4.550 4.814 13.006 307 HH22 ARG 45 HH21 ARG 45 3.897 6.427 12.979 308 H VAL 46 H VAL 46 5.213 -1.696 11.054 309 HA VAL 46 HA VAL 46 6.417 0.311 12.815 310 HB VAL 46 HB VAL 46 7.185 -1.962 14.083 311 HG11 VAL 46 HG11 VAL 46 4.874 -1.220 15.446 312 HG12 VAL 46 HG12 VAL 46 6.501 -0.577 15.680 313 HG13 VAL 46 HG13 VAL 46 5.382 0.234 14.585 314 HG21 VAL 46 HG21 VAL 46 4.520 -2.493 12.871 315 HG22 VAL 46 HG22 VAL 46 5.857 -3.599 13.194 316 HG23 VAL 46 HG23 VAL 46 4.825 -3.053 14.516
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