NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637613 | 6nu4 | 30565 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 -32.855 15.134 17.496 2 H2 GLU 1 HT2 GLU 1 -33.049 15.452 19.154 3 H3 GLU 1 HT3 GLU 1 -32.527 13.921 18.634 4 HA GLU 1 HA GLU 1 -31.044 16.464 18.716 5 HB2 GLU 1 HB2 GLU 1 -30.546 13.607 19.590 6 HB3 GLU 1 HB1 GLU 1 -29.295 14.850 19.616 7 HG2 GLU 1 HG2 GLU 1 -30.570 16.205 21.161 8 HG3 GLU 1 HG1 GLU 1 -31.967 15.146 21.016 9 H ALA 2 HN ALA 2 -30.716 13.146 17.412 10 HA ALA 2 HA ALA 2 -29.614 12.325 15.574 11 HB1 ALA 2 HB1 ALA 2 -31.309 13.187 14.226 12 HB2 ALA 2 HB2 ALA 2 -29.868 13.906 13.507 13 HB3 ALA 2 HB3 ALA 2 -30.886 14.860 14.588 14 H SER 3 HN SER 3 -28.020 13.850 17.494 15 HA SER 3 HA SER 3 -26.165 15.577 16.244 16 HB2 SER 3 HB2 SER 3 -26.373 15.514 18.661 17 HB3 SER 3 HB1 SER 3 -25.874 13.826 18.691 18 HG SER 3 HG SER 3 -23.922 14.603 18.796 19 H VAL 4 HN VAL 4 -24.271 15.238 15.197 20 HA VAL 4 HA VAL 4 -23.125 12.569 15.050 21 HB VAL 4 HB VAL 4 -24.841 12.592 13.263 22 HG11 VAL 4 HG11 VAL 4 -24.515 14.066 11.293 23 HG12 VAL 4 HG12 VAL 4 -23.217 14.899 12.149 24 HG13 VAL 4 HG13 VAL 4 -24.870 14.985 12.756 25 HG21 VAL 4 HG21 VAL 4 -21.938 12.596 12.388 26 HG22 VAL 4 HG22 VAL 4 -23.257 12.025 11.366 27 HG23 VAL 4 HG23 VAL 4 -22.903 11.205 12.887 28 H ARG 5 HN ARG 5 -20.953 12.560 14.683 29 HA ARG 5 HA ARG 5 -19.616 14.993 13.758 30 HB2 ARG 5 HB2 ARG 5 -19.795 15.141 16.264 31 HB3 ARG 5 HB1 ARG 5 -18.814 13.679 16.363 32 HG2 ARG 5 HG2 ARG 5 -17.035 14.835 15.038 33 HG3 ARG 5 HG1 ARG 5 -18.000 16.310 15.090 34 HD2 ARG 5 HD2 ARG 5 -16.985 14.811 17.522 35 HD3 ARG 5 HD1 ARG 5 -16.261 16.274 16.862 36 HE ARG 5 HE ARG 5 -18.738 16.091 18.393 37 HH11 ARG 5 HH11 ARG 5 -16.785 18.071 16.251 38 HH12 ARG 5 HH12 ARG 5 -17.522 19.557 16.750 39 HH21 ARG 5 HH21 ARG 5 -19.659 18.055 19.037 40 HH22 ARG 5 HH22 ARG 5 -19.141 19.544 18.321 41 H TYR 6 HN TYR 6 -17.715 14.619 12.688 42 HA TYR 6 HA TYR 6 -16.640 11.878 12.679 43 HB2 TYR 6 HB2 TYR 6 -17.099 13.623 10.247 44 HB3 TYR 6 HB1 TYR 6 -16.226 12.094 10.246 45 HD1 TYR 6 HD1 TYR 6 -19.494 13.683 10.230 46 HD2 TYR 6 HD2 TYR 6 -17.430 9.970 10.878 47 HE1 TYR 6 HE1 TYR 6 -21.629 12.449 9.976 48 HE2 TYR 6 HE2 TYR 6 -19.567 8.739 10.625 49 HH TYR 6 HH TYR 6 -22.224 9.934 9.236 50 H ILE 7 HN ILE 7 -14.423 11.723 12.333 51 HA ILE 7 HA ILE 7 -12.928 14.242 12.199 52 HB ILE 7 HB ILE 7 -13.081 13.605 14.585 53 HG12 ILE 7 HG12 ILE 7 -10.557 13.408 15.012 54 HG13 ILE 7 HG11 ILE 7 -10.365 13.327 13.255 55 HG21 ILE 7 HG21 ILE 7 -11.695 11.054 13.711 56 HG22 ILE 7 HG22 ILE 7 -13.347 11.180 14.315 57 HG23 ILE 7 HG23 ILE 7 -11.989 11.537 15.382 58 HD11 ILE 7 HD11 ILE 7 -11.798 15.582 14.697 59 HD12 ILE 7 HD12 ILE 7 -11.382 15.514 12.985 60 HD13 ILE 7 HD13 ILE 7 -10.108 15.651 14.197 61 H THR 8 HN THR 8 -11.111 14.157 10.947 62 HA THR 8 HA THR 8 -10.351 11.526 9.815 63 HB THR 8 HB THR 8 -10.380 14.215 8.397 64 HG1 THR 8 HG1 THR 8 -12.110 13.323 7.287 65 HG21 THR 8 HG21 THR 8 -9.817 12.933 6.392 66 HG22 THR 8 HG22 THR 8 -9.824 11.433 7.318 67 HG23 THR 8 HG23 THR 8 -8.590 12.653 7.628 68 H TYR 9 HN TYR 9 -8.275 10.960 9.990 69 HA TYR 9 HA TYR 9 -6.391 12.608 11.386 70 HB2 TYR 9 HB2 TYR 9 -6.095 9.963 9.948 71 HB3 TYR 9 HB1 TYR 9 -4.792 10.741 10.850 72 HD1 TYR 9 HD1 TYR 9 -8.112 9.124 11.119 73 HD2 TYR 9 HD2 TYR 9 -4.824 10.865 13.268 74 HE1 TYR 9 HE1 TYR 9 -9.000 8.190 13.239 75 HE2 TYR 9 HE2 TYR 9 -5.713 9.933 15.386 76 HH TYR 9 HH TYR 9 -8.797 8.826 15.754 77 HA PRO 10 HA PRO 10 -4.567 14.814 7.989 78 HB2 PRO 10 HB2 PRO 10 -1.917 14.928 8.610 79 HB3 PRO 10 HB1 PRO 10 -3.159 15.869 9.467 80 HG2 PRO 10 HG2 PRO 10 -1.848 13.311 10.259 81 HG3 PRO 10 HG1 PRO 10 -2.216 14.741 11.242 82 HD2 PRO 10 HD2 PRO 10 -3.773 12.526 11.314 83 HD3 PRO 10 HD1 PRO 10 -4.457 14.155 11.510 84 H ALA 11 HN ALA 11 -3.610 14.520 5.994 85 HA ALA 11 HA ALA 11 -1.859 12.282 5.432 86 HB1 ALA 11 HB1 ALA 11 -4.395 12.388 3.833 87 HB2 ALA 11 HB2 ALA 11 -4.350 11.499 5.355 88 HB3 ALA 11 HB3 ALA 11 -3.263 11.051 4.041 89 H ILE 12 HN ILE 12 -0.959 12.389 3.285 90 HA ILE 12 HA ILE 12 -0.419 15.042 2.425 91 HB ILE 12 HB ILE 12 0.128 12.395 1.021 92 HG12 ILE 12 HG12 ILE 12 2.022 14.128 2.655 93 HG13 ILE 12 HG11 ILE 12 1.118 12.784 3.356 94 HG21 ILE 12 HG21 ILE 12 0.281 14.231 -0.587 95 HG22 ILE 12 HG22 ILE 12 1.917 13.731 -0.163 96 HG23 ILE 12 HG23 ILE 12 1.233 15.195 0.543 97 HD11 ILE 12 HD11 ILE 12 2.189 11.205 1.841 98 HD12 ILE 12 HD12 ILE 12 3.444 12.149 2.644 99 HD13 ILE 12 HD13 ILE 12 2.992 12.519 0.979 100 H ASP 13 HN ASP 13 -1.942 12.425 0.526 101 HA ASP 13 HA ASP 13 -4.247 13.854 -0.229 102 HB2 ASP 13 HB2 ASP 13 -2.390 15.189 -1.453 103 HB3 ASP 13 HB1 ASP 13 -2.266 13.788 -2.510 104 H ARG 14 HN ARG 14 -3.912 11.296 0.628 105 HA ARG 14 HA ARG 14 -3.961 9.510 -1.683 106 HB2 ARG 14 HB2 ARG 14 -4.054 8.985 1.289 107 HB3 ARG 14 HB1 ARG 14 -4.121 7.723 0.057 108 HG2 ARG 14 HG2 ARG 14 -1.961 8.510 -0.850 109 HG3 ARG 14 HG1 ARG 14 -1.883 9.734 0.412 110 HD2 ARG 14 HD2 ARG 14 -1.917 7.980 2.139 111 HD3 ARG 14 HD1 ARG 14 -1.999 6.743 0.888 112 HE ARG 14 HE ARG 14 0.258 8.369 0.392 113 HH11 ARG 14 HH11 ARG 14 -0.838 6.018 2.762 114 HH12 ARG 14 HH12 ARG 14 0.764 5.495 3.163 115 HH21 ARG 14 HH21 ARG 14 2.331 7.642 0.932 116 HH22 ARG 14 HH22 ARG 14 2.546 6.411 2.130 117 H GLY 15 HN GLY 15 -5.785 9.060 -2.697 118 HA2 GLY 15 HA2 GLY 15 -8.370 9.485 -1.361 119 HA3 GLY 15 HA1 GLY 15 -8.118 9.333 -3.098 120 H ASP 16 HN ASP 16 -10.074 7.833 -2.518 121 HA ASP 16 HA ASP 16 -8.989 5.103 -2.288 122 HB2 ASP 16 HB2 ASP 16 -10.017 5.655 -0.128 123 HB3 ASP 16 HB1 ASP 16 -11.523 6.076 -0.942 124 H HIS 17 HN HIS 17 -12.256 6.495 -2.819 125 HA HIS 17 HA HIS 17 -12.845 4.597 -4.872 126 HB2 HIS 17 HB2 HIS 17 -14.958 5.873 -5.155 127 HB3 HIS 17 HB1 HIS 17 -14.642 5.451 -3.475 128 HD2 HIS 17 HD2 HIS 17 -15.090 8.630 -5.665 129 HE1 HIS 17 HE1 HIS 17 -14.013 9.935 -1.798 130 HE2 HIS 17 HE2 HIS 17 -14.841 10.687 -4.079 131 H ALA 18 HN ALA 18 -12.227 8.118 -4.967 132 HA ALA 18 HA ALA 18 -10.847 8.024 -7.439 133 HB1 ALA 18 HB1 ALA 18 -12.616 7.846 -8.840 134 HB2 ALA 18 HB2 ALA 18 -12.903 9.544 -8.470 135 HB3 ALA 18 HB3 ALA 18 -13.771 8.288 -7.587 136 H VAL 19 HN VAL 19 -10.115 10.106 -8.153 137 HA VAL 19 HA VAL 19 -10.707 12.357 -6.351 138 HB VAL 19 HB VAL 19 -8.319 12.993 -6.364 139 HG11 VAL 19 HG11 VAL 19 -9.128 11.775 -4.448 140 HG12 VAL 19 HG12 VAL 19 -7.533 11.142 -4.854 141 HG13 VAL 19 HG13 VAL 19 -8.980 10.238 -5.301 142 HG21 VAL 19 HG21 VAL 19 -6.609 11.441 -7.156 143 HG22 VAL 19 HG22 VAL 19 -7.732 11.750 -8.479 144 HG23 VAL 19 HG23 VAL 19 -7.837 10.243 -7.569 145 H HIS 20 HN HIS 20 -10.410 14.444 -7.270 146 HA HIS 20 HA HIS 20 -11.042 14.600 -10.062 147 HB2 HIS 20 HB2 HIS 20 -11.841 16.215 -8.271 148 HB3 HIS 20 HB1 HIS 20 -10.214 16.897 -8.278 149 HD2 HIS 20 HD2 HIS 20 -13.460 17.097 -10.370 150 HE1 HIS 20 HE1 HIS 20 -10.464 19.088 -12.579 151 HE2 HIS 20 HE2 HIS 20 -12.958 18.629 -12.423 152 H CYS 21 HN CYS 21 -9.752 15.089 -11.787 153 HA CYS 21 HA CYS 21 -6.866 15.149 -11.293 154 HB2 CYS 21 HB2 CYS 21 -8.386 14.759 -13.872 155 HB3 CYS 21 HB1 CYS 21 -6.644 14.597 -13.667 156 H ASP 22 HN ASP 22 -5.609 16.865 -11.676 157 HA ASP 22 HA ASP 22 -6.786 19.425 -12.083 158 HB2 ASP 22 HB2 ASP 22 -4.659 18.883 -10.774 159 HB3 ASP 22 HB1 ASP 22 -3.860 18.749 -12.337 160 H LYS 23 HN LYS 23 -6.905 20.674 -13.894 161 HA LYS 23 HA LYS 23 -6.654 19.430 -16.461 162 HB2 LYS 23 HB2 LYS 23 -7.157 22.294 -15.620 163 HB3 LYS 23 HB1 LYS 23 -7.028 21.816 -17.308 164 HG2 LYS 23 HG2 LYS 23 -9.342 21.686 -16.933 165 HG3 LYS 23 HG1 LYS 23 -8.833 20.016 -16.707 166 HD2 LYS 23 HD2 LYS 23 -8.875 20.239 -14.313 167 HD3 LYS 23 HD1 LYS 23 -9.082 21.989 -14.420 168 HE2 LYS 23 HE2 LYS 23 -11.273 21.642 -15.536 169 HE3 LYS 23 HE1 LYS 23 -11.073 19.901 -15.355 170 HZ1 LYS 23 HZ1 LYS 23 -10.638 20.844 -12.841 171 HZ2 LYS 23 HZ2 LYS 23 -12.095 20.183 -13.411 172 HZ3 LYS 23 HZ3 LYS 23 -11.865 21.864 -13.413 173 H ALA 24 HN ALA 24 -4.548 21.311 -14.460 174 HA ALA 24 HA ALA 24 -2.620 21.779 -16.619 175 HB1 ALA 24 HB1 ALA 24 -1.350 22.960 -14.725 176 HB2 ALA 24 HB2 ALA 24 -2.826 22.766 -13.780 177 HB3 ALA 24 HB3 ALA 24 -2.852 23.703 -15.274 178 H HIS 25 HN HIS 25 -3.130 19.838 -13.762 179 HA HIS 25 HA HIS 25 -0.651 18.354 -14.360 180 HB2 HIS 25 HB2 HIS 25 -1.775 19.071 -11.638 181 HB3 HIS 25 HB1 HIS 25 -0.481 17.903 -11.883 182 HD2 HIS 25 HD2 HIS 25 -0.923 21.710 -11.532 183 HE1 HIS 25 HE1 HIS 25 2.974 21.116 -13.045 184 HE2 HIS 25 HE2 HIS 25 1.379 22.826 -12.053 185 HA PRO 26 HA PRO 26 -4.555 15.618 -14.175 186 HB2 PRO 26 HB2 PRO 26 -4.736 14.879 -16.763 187 HB3 PRO 26 HB1 PRO 26 -5.483 16.367 -16.133 188 HG2 PRO 26 HG2 PRO 26 -2.909 16.026 -17.597 189 HG3 PRO 26 HG1 PRO 26 -4.198 17.217 -17.861 190 HD2 PRO 26 HD2 PRO 26 -1.962 17.842 -16.470 191 HD3 PRO 26 HD1 PRO 26 -3.546 18.538 -16.066 192 H ASN 27 HN ASN 27 -1.391 15.443 -15.633 193 HA ASN 27 HA ASN 27 -1.253 12.602 -15.944 194 HB2 ASN 27 HB2 ASN 27 1.158 12.959 -16.310 195 HB3 ASN 27 HB1 ASN 27 0.177 14.056 -17.275 196 HD21 ASN 27 HD21 ASN 27 2.070 15.542 -17.362 197 HD22 ASN 27 HD22 ASN 27 2.447 16.515 -16.024 198 H THR 28 HN THR 28 -1.001 14.635 -13.181 199 HA THR 28 HA THR 28 0.599 12.765 -11.621 200 HB THR 28 HB THR 28 -0.879 15.277 -10.748 201 HG1 THR 28 HG1 THR 28 0.812 16.315 -11.427 202 HG21 THR 28 HG21 THR 28 -0.459 13.869 -8.844 203 HG22 THR 28 HG22 THR 28 0.781 15.122 -8.832 204 HG23 THR 28 HG23 THR 28 1.173 13.500 -9.401 205 H CYS 29 HN CYS 29 -2.703 13.841 -12.065 206 HA CYS 29 HA CYS 29 -3.913 12.519 -9.950 207 HB2 CYS 29 HB2 CYS 29 -4.987 14.274 -11.178 208 HB3 CYS 29 HB1 CYS 29 -5.004 13.289 -12.636 209 H LYS 30 HN LYS 30 -4.424 10.460 -9.612 210 HA LYS 30 HA LYS 30 -4.608 8.584 -11.871 211 HB2 LYS 30 HB2 LYS 30 -2.974 8.083 -9.365 212 HB3 LYS 30 HB1 LYS 30 -3.263 6.915 -10.650 213 HG2 LYS 30 HG2 LYS 30 -1.967 9.599 -11.181 214 HG3 LYS 30 HG1 LYS 30 -1.024 8.195 -10.738 215 HD2 LYS 30 HD2 LYS 30 -2.961 8.163 -13.069 216 HD3 LYS 30 HD1 LYS 30 -1.273 8.634 -13.246 217 HE2 LYS 30 HE2 LYS 30 -0.598 6.441 -12.256 218 HE3 LYS 30 HE1 LYS 30 -2.294 5.961 -12.239 219 HZ1 LYS 30 HZ1 LYS 30 -0.858 5.302 -14.236 220 HZ2 LYS 30 HZ2 LYS 30 -1.021 6.923 -14.718 221 HZ3 LYS 30 HZ3 LYS 30 -2.398 5.943 -14.540 222 H LYS 31 HN LYS 31 -6.190 7.093 -11.672 223 HA LYS 31 HA LYS 31 -8.197 7.336 -9.654 224 HB2 LYS 31 HB2 LYS 31 -7.673 5.234 -11.763 225 HB3 LYS 31 HB1 LYS 31 -9.102 5.267 -10.730 226 HG2 LYS 31 HG2 LYS 31 -8.288 7.617 -12.448 227 HG3 LYS 31 HG1 LYS 31 -9.370 6.354 -13.034 228 HD2 LYS 31 HD2 LYS 31 -10.874 6.816 -11.067 229 HD3 LYS 31 HD1 LYS 31 -9.834 8.178 -10.647 230 HE2 LYS 31 HE2 LYS 31 -11.192 7.866 -13.336 231 HE3 LYS 31 HE1 LYS 31 -11.848 8.826 -12.009 232 HZ1 LYS 31 HZ1 LYS 31 -9.599 9.975 -12.019 233 HZ2 LYS 31 HZ2 LYS 31 -10.654 10.331 -13.302 234 HZ3 LYS 31 HZ3 LYS 31 -9.354 9.260 -13.537 235 H LYS 32 HN LYS 32 -5.538 5.128 -10.234 236 HA LYS 32 HA LYS 32 -5.775 4.138 -7.470 237 HB2 LYS 32 HB2 LYS 32 -5.367 2.356 -9.899 238 HB3 LYS 32 HB1 LYS 32 -5.473 1.835 -8.220 239 HG2 LYS 32 HG2 LYS 32 -7.724 3.312 -9.623 240 HG3 LYS 32 HG1 LYS 32 -7.631 1.560 -9.551 241 HD2 LYS 32 HD2 LYS 32 -7.690 1.625 -7.094 242 HD3 LYS 32 HD1 LYS 32 -7.692 3.388 -7.122 243 HE2 LYS 32 HE2 LYS 32 -9.806 3.396 -8.327 244 HE3 LYS 32 HE1 LYS 32 -9.831 1.627 -8.349 245 HZ1 LYS 32 HZ1 LYS 32 -11.172 2.641 -6.535 246 HZ2 LYS 32 HZ2 LYS 32 -9.737 3.259 -5.867 247 HZ3 LYS 32 HZ3 LYS 32 -9.972 1.580 -5.980 248 H GLN 33 HN GLN 33 -3.781 3.418 -6.571 249 HA GLN 33 HA GLN 33 -1.391 3.662 -8.191 250 HB2 GLN 33 HB2 GLN 33 -0.341 5.410 -6.869 251 HB3 GLN 33 HB1 GLN 33 -1.861 6.002 -7.535 252 HG2 GLN 33 HG2 GLN 33 -2.918 5.289 -5.300 253 HG3 GLN 33 HG1 GLN 33 -1.274 5.147 -4.699 254 HE21 GLN 33 HE21 GLN 33 -0.372 7.027 -3.854 255 HE22 GLN 33 HE22 GLN 33 -0.928 8.598 -4.177 256 H ALA 34 HN ALA 34 0.591 3.429 -6.808 257 HA ALA 34 HA ALA 34 0.225 1.612 -4.527 258 HB1 ALA 34 HB1 ALA 34 0.560 0.208 -6.552 259 HB2 ALA 34 HB2 ALA 34 1.924 0.084 -5.442 260 HB3 ALA 34 HB3 ALA 34 2.056 1.078 -6.891 261 H ASN 35 HN ASN 35 2.828 1.078 -3.936 262 HA ASN 35 HA ASN 35 3.656 3.428 -2.658 263 HB2 ASN 35 HB2 ASN 35 5.246 0.953 -3.343 264 HB3 ASN 35 HB1 ASN 35 5.747 2.206 -2.220 265 HD21 ASN 35 HD21 ASN 35 4.006 -0.721 -2.436 266 HD22 ASN 35 HD22 ASN 35 3.238 -0.643 -0.924 267 HA PRO 36 HA PRO 36 5.695 5.666 -5.893 268 HB2 PRO 36 HB2 PRO 36 7.527 7.132 -4.554 269 HB3 PRO 36 HB1 PRO 36 5.780 7.436 -4.415 270 HG2 PRO 36 HG2 PRO 36 7.589 5.957 -2.573 271 HG3 PRO 36 HG1 PRO 36 6.307 7.121 -2.198 272 HD2 PRO 36 HD2 PRO 36 5.939 4.449 -1.985 273 HD3 PRO 36 HD1 PRO 36 4.628 5.563 -2.407 274 H TYR 37 HN TYR 37 7.602 3.716 -3.760 275 HA TYR 37 HA TYR 37 10.049 3.838 -5.270 276 HB2 TYR 37 HB2 TYR 37 9.966 3.581 -2.813 277 HB3 TYR 37 HB1 TYR 37 9.163 2.031 -3.019 278 HD1 TYR 37 HD1 TYR 37 12.317 3.886 -3.760 279 HD2 TYR 37 HD2 TYR 37 10.413 0.044 -3.506 280 HE1 TYR 37 HE1 TYR 37 14.521 2.777 -4.019 281 HE2 TYR 37 HE2 TYR 37 12.616 -1.065 -3.765 282 HH TYR 37 HH TYR 37 14.938 -0.620 -3.504 283 H ARG 38 HN ARG 38 10.599 2.591 -6.928 284 HA ARG 38 HA ARG 38 9.099 0.089 -7.413 285 HB2 ARG 38 HB2 ARG 38 9.947 2.219 -9.354 286 HB3 ARG 38 HB1 ARG 38 9.752 0.554 -9.890 287 HG2 ARG 38 HG2 ARG 38 7.512 0.515 -9.009 288 HG3 ARG 38 HG1 ARG 38 7.633 2.204 -8.491 289 HD2 ARG 38 HD2 ARG 38 7.974 2.910 -10.820 290 HD3 ARG 38 HD1 ARG 38 7.944 1.233 -11.354 291 HE ARG 38 HE ARG 38 5.543 1.855 -9.952 292 HH11 ARG 38 HH11 ARG 38 7.124 2.437 -13.037 293 HH12 ARG 38 HH12 ARG 38 5.636 2.665 -13.894 294 HH21 ARG 38 HH21 ARG 38 3.626 2.162 -11.107 295 HH22 ARG 38 HH22 ARG 38 3.666 2.509 -12.804 296 H ARG 39 HN ARG 39 10.128 -1.639 -8.179 297 HA ARG 39 HA ARG 39 12.938 -1.516 -8.688 298 HB2 ARG 39 HB2 ARG 39 12.774 -1.746 -6.201 299 HB3 ARG 39 HB1 ARG 39 11.925 -3.271 -6.443 300 HG2 ARG 39 HG2 ARG 39 13.871 -4.188 -7.644 301 HG3 ARG 39 HG1 ARG 39 14.726 -2.658 -7.438 302 HD2 ARG 39 HD2 ARG 39 14.615 -2.910 -4.994 303 HD3 ARG 39 HD1 ARG 39 13.746 -4.430 -5.182 304 HE ARG 39 HE ARG 39 15.759 -5.470 -5.764 305 HH11 ARG 39 HH11 ARG 39 16.213 -1.988 -5.704 306 HH12 ARG 39 HH12 ARG 39 17.938 -2.085 -5.838 307 HH21 ARG 39 HH21 ARG 39 18.016 -5.556 -5.938 308 HH22 ARG 39 HH22 ARG 39 18.950 -4.097 -5.970 309 H GLY 40 HN GLY 40 13.532 -3.015 -10.166 310 HA2 GLY 40 HA2 GLY 40 11.513 -5.036 -10.929 311 HA3 GLY 40 HA1 GLY 40 12.662 -4.296 -12.041 312 H CYS 41 HN CYS 41 12.160 -7.137 -11.411 313 HA CYS 41 HA CYS 41 14.580 -8.034 -10.041 314 HB2 CYS 41 HB2 CYS 41 12.452 -9.201 -9.637 315 HB3 CYS 41 HB1 CYS 41 12.336 -9.591 -11.352 316 H GLY 42 HN GLY 42 16.432 -8.091 -11.155 317 HA2 GLY 42 HA2 GLY 42 16.365 -8.872 -14.020 318 HA3 GLY 42 HA1 GLY 42 17.438 -7.628 -13.397 319 H VAL 43 HN VAL 43 16.980 -10.373 -11.353 320 HA VAL 43 HA VAL 43 19.723 -11.064 -11.345 321 HB VAL 43 HB VAL 43 19.029 -13.022 -10.002 322 HG11 VAL 43 HG11 VAL 43 18.086 -11.751 -8.139 323 HG12 VAL 43 HG12 VAL 43 17.546 -10.487 -9.243 324 HG13 VAL 43 HG13 VAL 43 19.270 -10.754 -8.985 325 HG21 VAL 43 HG21 VAL 43 16.284 -12.147 -10.933 326 HG22 VAL 43 HG22 VAL 43 16.476 -13.053 -9.431 327 HG23 VAL 43 HG23 VAL 43 16.986 -13.763 -10.960 328 H LEU 44 HN LEU 44 17.008 -12.255 -13.196 329 HA LEU 44 HA LEU 44 16.836 -13.590 -15.040 330 HB2 LEU 44 HB2 LEU 44 19.848 -13.282 -15.117 331 HB3 LEU 44 HB1 LEU 44 18.904 -14.081 -16.367 332 HG LEU 44 HG LEU 44 18.362 -11.240 -15.461 333 HD11 LEU 44 HD11 LEU 44 19.582 -10.517 -17.462 334 HD12 LEU 44 HD12 LEU 44 19.950 -12.193 -17.868 335 HD13 LEU 44 HD13 LEU 44 20.650 -11.461 -16.424 336 HD21 LEU 44 HD21 LEU 44 17.467 -12.956 -17.804 337 HD22 LEU 44 HD22 LEU 44 17.276 -11.203 -17.793 338 HD23 LEU 44 HD23 LEU 44 16.452 -12.186 -16.584 339 H GLU 45 HN GLU 45 18.161 -14.680 -12.196 340 HA GLU 45 HA GLU 45 19.025 -17.305 -12.864 341 HB2 GLU 45 HB2 GLU 45 17.971 -16.098 -10.311 342 HB3 GLU 45 HB1 GLU 45 18.558 -17.758 -10.426 343 HG2 GLU 45 HG2 GLU 45 20.757 -17.003 -11.122 344 HG3 GLU 45 HG1 GLU 45 20.199 -15.339 -11.232 345 H GLY 46 HN GLY 46 15.926 -15.877 -12.083 346 HA2 GLY 46 HA2 GLY 46 14.251 -17.534 -13.447 347 HA3 GLY 46 HA1 GLY 46 14.473 -18.355 -11.900 348 H CYS 47 HN CYS 47 14.732 -16.094 -10.246 349 HA CYS 47 HA CYS 47 13.433 -14.742 -8.936 350 HB2 CYS 47 HB2 CYS 47 13.762 -13.517 -11.289 351 HB3 CYS 47 HB1 CYS 47 12.003 -13.671 -11.318 352 H HIS 48 HN HIS 48 12.103 -16.036 -7.785 353 HA HIS 48 HA HIS 48 9.385 -16.459 -8.869 354 HB2 HIS 48 HB2 HIS 48 10.968 -18.354 -7.117 355 HB3 HIS 48 HB1 HIS 48 9.272 -18.557 -7.549 356 HD2 HIS 48 HD2 HIS 48 12.709 -19.439 -8.980 357 HE1 HIS 48 HE1 HIS 48 9.989 -19.796 -12.190 358 HE2 HIS 48 HE2 HIS 48 12.359 -20.289 -11.424 359 H ARG 49 HN ARG 49 7.693 -16.039 -7.546 360 HA ARG 49 HA ARG 49 8.286 -15.024 -4.834 361 HB2 ARG 49 HB2 ARG 49 7.804 -13.187 -6.466 362 HB3 ARG 49 HB1 ARG 49 6.214 -13.898 -6.739 363 HG2 ARG 49 HG2 ARG 49 5.673 -13.629 -4.345 364 HG3 ARG 49 HG1 ARG 49 7.266 -12.927 -4.058 365 HD2 ARG 49 HD2 ARG 49 6.727 -11.113 -5.670 366 HD3 ARG 49 HD1 ARG 49 5.115 -11.793 -5.867 367 HE ARG 49 HE ARG 49 6.102 -10.284 -3.581 368 HH11 ARG 49 HH11 ARG 49 3.617 -12.474 -4.754 369 HH12 ARG 49 HH12 ARG 49 2.485 -12.048 -3.514 370 HH21 ARG 49 HH21 ARG 49 4.600 -9.770 -1.970 371 HH22 ARG 49 HH22 ARG 49 3.042 -10.525 -1.948 372 H GLU 50 HN GLU 50 6.907 -15.618 -3.217 373 HA GLU 50 HA GLU 50 4.621 -17.345 -3.930 374 HB2 GLU 50 HB2 GLU 50 6.535 -17.747 -1.617 375 HB3 GLU 50 HB1 GLU 50 5.111 -18.720 -1.959 376 HG2 GLU 50 HG2 GLU 50 7.473 -18.412 -3.841 377 HG3 GLU 50 HG1 GLU 50 7.199 -19.801 -2.795 378 H THR 51 HN THR 51 2.958 -17.431 -2.342 379 HA THR 51 HA THR 51 2.165 -14.904 -1.420 380 HB THR 51 HB THR 51 1.158 -17.653 -0.629 381 HG1 THR 51 HG1 THR 51 0.438 -17.629 -2.588 382 HG21 THR 51 HG21 THR 51 -0.884 -16.561 0.068 383 HG22 THR 51 HG22 THR 51 -0.313 -15.000 -0.522 384 HG23 THR 51 HG23 THR 51 0.451 -15.745 0.883 385 H GLY 52 HN GLY 52 3.597 -17.687 0.244 386 HA2 GLY 52 HA2 GLY 52 4.751 -16.041 2.281 387 HA3 GLY 52 HA1 GLY 52 3.386 -16.995 2.861 388 HA PRO 53 HA PRO 53 7.355 -19.620 2.780 389 HB2 PRO 53 HB2 PRO 53 7.603 -20.163 5.409 390 HB3 PRO 53 HB1 PRO 53 8.302 -18.700 4.672 391 HG2 PRO 53 HG2 PRO 53 5.756 -19.016 6.196 392 HG3 PRO 53 HG1 PRO 53 6.995 -17.750 6.337 393 HD2 PRO 53 HD2 PRO 53 4.701 -17.354 4.953 394 HD3 PRO 53 HD1 PRO 53 6.240 -16.610 4.451 395 H LYS 54 HN LYS 54 4.360 -19.918 4.656 396 HA LYS 54 HA LYS 54 4.167 -22.749 3.893 397 HB2 LYS 54 HB2 LYS 54 5.095 -22.448 6.248 398 HB3 LYS 54 HB1 LYS 54 3.500 -21.835 6.674 399 HG2 LYS 54 HG2 LYS 54 2.556 -23.989 5.643 400 HG3 LYS 54 HG1 LYS 54 4.213 -24.581 5.613 401 HD2 LYS 54 HD2 LYS 54 3.367 -25.393 7.667 402 HD3 LYS 54 HD1 LYS 54 4.293 -23.964 8.130 403 HE2 LYS 54 HE2 LYS 54 2.170 -22.636 7.983 404 HE3 LYS 54 HE1 LYS 54 1.298 -24.142 7.733 405 HZ1 LYS 54 HZ1 LYS 54 2.942 -23.463 10.113 406 HZ2 LYS 54 HZ2 LYS 54 2.196 -24.966 9.842 407 HZ3 LYS 54 HZ3 LYS 54 1.251 -23.570 10.060 408 HA PRO 55 HA PRO 55 0.129 -20.219 3.240 409 HB2 PRO 55 HB2 PRO 55 -0.103 -20.913 0.585 410 HB3 PRO 55 HB1 PRO 55 0.705 -19.435 1.154 411 HG2 PRO 55 HG2 PRO 55 1.908 -22.071 0.418 412 HG3 PRO 55 HG1 PRO 55 2.397 -20.438 -0.072 413 HD2 PRO 55 HD2 PRO 55 3.751 -21.635 1.897 414 HD3 PRO 55 HD1 PRO 55 3.280 -19.929 2.049 415 H THR 56 HN THR 56 1.377 -23.397 2.380 416 HA THR 56 HA THR 56 -0.889 -24.776 1.653 417 HB THR 56 HB THR 56 1.271 -25.962 3.397 418 HG1 THR 56 HG1 THR 56 2.298 -24.837 1.780 419 HG21 THR 56 HG21 THR 56 -0.460 -27.532 2.952 420 HG22 THR 56 HG22 THR 56 0.824 -27.900 1.802 421 HG23 THR 56 HG23 THR 56 -0.604 -27.009 1.274 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 -11.583 8.077 39.037 2 H2 GLU 1 HT2 GLU 1 -10.956 6.717 38.236 3 H3 GLU 1 HT3 GLU 1 -12.512 6.665 38.918 4 HA GLU 1 HA GLU 1 -13.322 8.279 37.355 5 HB2 GLU 1 HB2 GLU 1 -11.836 9.061 35.518 6 HB3 GLU 1 HB1 GLU 1 -11.256 9.589 37.096 7 HG2 GLU 1 HG2 GLU 1 -9.668 7.649 37.120 8 HG3 GLU 1 HG1 GLU 1 -10.207 7.224 35.498 9 H ALA 2 HN ALA 2 -11.042 5.630 36.820 10 HA ALA 2 HA ALA 2 -11.275 3.609 35.759 11 HB1 ALA 2 HB1 ALA 2 -13.348 2.688 35.362 12 HB2 ALA 2 HB2 ALA 2 -14.015 4.188 34.717 13 HB3 ALA 2 HB3 ALA 2 -13.815 3.990 36.457 14 H SER 3 HN SER 3 -12.868 6.208 33.886 15 HA SER 3 HA SER 3 -12.582 6.950 31.749 16 HB2 SER 3 HB2 SER 3 -10.412 7.084 30.898 17 HB3 SER 3 HB1 SER 3 -10.121 6.902 32.622 18 HG SER 3 HG SER 3 -10.050 4.896 30.604 19 H VAL 4 HN VAL 4 -13.211 6.331 29.751 20 HA VAL 4 HA VAL 4 -13.124 3.455 29.092 21 HB VAL 4 HB VAL 4 -15.437 3.587 28.225 22 HG11 VAL 4 HG11 VAL 4 -15.217 4.467 31.117 23 HG12 VAL 4 HG12 VAL 4 -14.957 2.820 30.546 24 HG13 VAL 4 HG13 VAL 4 -16.548 3.565 30.395 25 HG21 VAL 4 HG21 VAL 4 -15.501 6.320 29.570 26 HG22 VAL 4 HG22 VAL 4 -16.845 5.530 28.745 27 HG23 VAL 4 HG23 VAL 4 -15.442 6.071 27.825 28 H ARG 5 HN ARG 5 -13.417 2.959 26.828 29 HA ARG 5 HA ARG 5 -12.599 5.164 25.025 30 HB2 ARG 5 HB2 ARG 5 -10.811 3.438 25.501 31 HB3 ARG 5 HB1 ARG 5 -11.851 2.245 24.723 32 HG2 ARG 5 HG2 ARG 5 -11.830 3.535 22.645 33 HG3 ARG 5 HG1 ARG 5 -10.861 4.796 23.412 34 HD2 ARG 5 HD2 ARG 5 -9.088 3.085 23.860 35 HD3 ARG 5 HD1 ARG 5 -10.035 1.921 22.940 36 HE ARG 5 HE ARG 5 -9.695 4.161 21.301 37 HH11 ARG 5 HH11 ARG 5 -7.642 1.741 22.811 38 HH12 ARG 5 HH12 ARG 5 -6.421 1.835 21.588 39 HH21 ARG 5 HH21 ARG 5 -8.072 4.258 19.727 40 HH22 ARG 5 HH22 ARG 5 -6.666 3.253 19.850 41 H TYR 6 HN TYR 6 -13.925 5.525 23.328 42 HA TYR 6 HA TYR 6 -16.081 3.575 22.832 43 HB2 TYR 6 HB2 TYR 6 -16.548 6.017 23.595 44 HB3 TYR 6 HB1 TYR 6 -16.124 6.455 21.941 45 HD1 TYR 6 HD1 TYR 6 -18.540 4.692 24.087 46 HD2 TYR 6 HD2 TYR 6 -17.542 5.777 20.053 47 HE1 TYR 6 HE1 TYR 6 -20.823 4.062 23.352 48 HE2 TYR 6 HE2 TYR 6 -19.825 5.147 19.318 49 HH TYR 6 HH TYR 6 -22.078 3.532 21.460 50 H ILE 7 HN ILE 7 -13.886 5.841 21.175 51 HA ILE 7 HA ILE 7 -14.125 4.181 18.739 52 HB ILE 7 HB ILE 7 -13.577 7.164 18.874 53 HG12 ILE 7 HG12 ILE 7 -15.943 6.677 19.440 54 HG13 ILE 7 HG11 ILE 7 -15.843 7.428 17.848 55 HG21 ILE 7 HG21 ILE 7 -12.498 5.968 16.959 56 HG22 ILE 7 HG22 ILE 7 -13.705 7.150 16.446 57 HG23 ILE 7 HG23 ILE 7 -14.094 5.429 16.437 58 HD11 ILE 7 HD11 ILE 7 -16.011 5.142 16.804 59 HD12 ILE 7 HD12 ILE 7 -17.437 5.559 17.756 60 HD13 ILE 7 HD13 ILE 7 -16.229 4.456 18.416 61 H THR 8 HN THR 8 -12.323 3.262 18.010 62 HA THR 8 HA THR 8 -9.872 3.576 19.456 63 HB THR 8 HB THR 8 -10.564 1.374 18.655 64 HG1 THR 8 HG1 THR 8 -8.204 2.434 17.507 65 HG21 THR 8 HG21 THR 8 -9.935 2.305 15.855 66 HG22 THR 8 HG22 THR 8 -11.581 2.308 16.492 67 HG23 THR 8 HG23 THR 8 -10.690 0.792 16.357 68 H TYR 9 HN TYR 9 -11.059 4.802 16.373 69 HA TYR 9 HA TYR 9 -8.429 6.106 15.965 70 HB2 TYR 9 HB2 TYR 9 -8.886 6.076 13.520 71 HB3 TYR 9 HB1 TYR 9 -8.799 4.453 14.204 72 HD1 TYR 9 HD1 TYR 9 -11.100 7.082 12.944 73 HD2 TYR 9 HD2 TYR 9 -10.739 3.009 14.257 74 HE1 TYR 9 HE1 TYR 9 -13.383 6.606 12.099 75 HE2 TYR 9 HE2 TYR 9 -13.020 2.534 13.414 76 HH TYR 9 HH TYR 9 -14.655 3.356 11.958 77 HA PRO 10 HA PRO 10 -10.816 9.947 16.172 78 HB2 PRO 10 HB2 PRO 10 -8.989 11.735 15.334 79 HB3 PRO 10 HB1 PRO 10 -8.857 10.917 16.909 80 HG2 PRO 10 HG2 PRO 10 -7.458 10.310 14.346 81 HG3 PRO 10 HG1 PRO 10 -6.808 10.370 15.994 82 HD2 PRO 10 HD2 PRO 10 -7.467 8.025 14.755 83 HD3 PRO 10 HD1 PRO 10 -7.548 8.246 16.519 84 H ALA 11 HN ALA 11 -9.206 8.933 13.200 85 HA ALA 11 HA ALA 11 -11.390 9.911 11.564 86 HB1 ALA 11 HB1 ALA 11 -9.592 11.797 11.935 87 HB2 ALA 11 HB2 ALA 11 -10.274 11.520 10.332 88 HB3 ALA 11 HB3 ALA 11 -8.683 10.877 10.734 89 H ILE 12 HN ILE 12 -11.218 9.199 9.321 90 HA ILE 12 HA ILE 12 -10.169 6.529 9.118 91 HB ILE 12 HB ILE 12 -11.393 8.305 6.962 92 HG12 ILE 12 HG12 ILE 12 -12.701 6.049 8.528 93 HG13 ILE 12 HG11 ILE 12 -12.826 7.738 9.023 94 HG21 ILE 12 HG21 ILE 12 -10.059 6.427 6.029 95 HG22 ILE 12 HG22 ILE 12 -11.783 6.162 5.762 96 HG23 ILE 12 HG23 ILE 12 -10.948 5.291 7.047 97 HD11 ILE 12 HD11 ILE 12 -14.771 6.936 7.624 98 HD12 ILE 12 HD12 ILE 12 -13.647 6.719 6.283 99 HD13 ILE 12 HD13 ILE 12 -13.929 8.329 6.944 100 H ASP 13 HN ASP 13 -9.559 9.432 7.138 101 HA ASP 13 HA ASP 13 -6.748 9.331 7.287 102 HB2 ASP 13 HB2 ASP 13 -7.247 7.216 5.903 103 HB3 ASP 13 HB1 ASP 13 -7.727 8.310 4.612 104 H ARG 14 HN ARG 14 -8.023 11.480 7.678 105 HA ARG 14 HA ARG 14 -8.854 13.018 5.419 106 HB2 ARG 14 HB2 ARG 14 -8.081 13.826 8.227 107 HB3 ARG 14 HB1 ARG 14 -8.753 14.936 7.029 108 HG2 ARG 14 HG2 ARG 14 -10.773 13.562 6.849 109 HG3 ARG 14 HG1 ARG 14 -10.102 12.390 7.985 110 HD2 ARG 14 HD2 ARG 14 -11.627 13.869 9.178 111 HD3 ARG 14 HD1 ARG 14 -9.978 14.178 9.711 112 HE ARG 14 HE ARG 14 -10.090 16.297 8.729 113 HH11 ARG 14 HH11 ARG 14 -12.878 14.404 7.731 114 HH12 ARG 14 HH12 ARG 14 -13.682 15.753 7.002 115 HH21 ARG 14 HH21 ARG 14 -11.167 18.023 7.749 116 HH22 ARG 14 HH22 ARG 14 -12.717 17.787 7.012 117 H GLY 15 HN GLY 15 -7.793 14.589 4.248 118 HA2 GLY 15 HA2 GLY 15 -5.393 15.841 4.759 119 HA3 GLY 15 HA1 GLY 15 -4.948 14.336 3.952 120 H ASP 16 HN ASP 16 -7.711 16.521 3.481 121 HA ASP 16 HA ASP 16 -8.553 17.524 1.623 122 HB2 ASP 16 HB2 ASP 16 -6.531 18.921 2.152 123 HB3 ASP 16 HB1 ASP 16 -5.648 18.006 0.933 124 H HIS 17 HN HIS 17 -8.560 14.831 1.278 125 HA HIS 17 HA HIS 17 -7.271 13.952 -1.126 126 HB2 HIS 17 HB2 HIS 17 -9.568 12.792 0.459 127 HB3 HIS 17 HB1 HIS 17 -8.811 11.992 -0.916 128 HD2 HIS 17 HD2 HIS 17 -8.207 12.460 2.857 129 HE1 HIS 17 HE1 HIS 17 -4.652 10.826 1.271 130 HE2 HIS 17 HE2 HIS 17 -5.890 11.395 3.415 131 H ALA 18 HN ALA 18 -8.123 13.626 -3.164 132 HA ALA 18 HA ALA 18 -10.829 14.513 -3.792 133 HB1 ALA 18 HB1 ALA 18 -9.910 16.628 -4.070 134 HB2 ALA 18 HB2 ALA 18 -9.753 15.954 -5.693 135 HB3 ALA 18 HB3 ALA 18 -8.358 15.994 -4.615 136 H VAL 19 HN VAL 19 -11.533 13.864 -5.878 137 HA VAL 19 HA VAL 19 -9.913 11.683 -7.037 138 HB VAL 19 HB VAL 19 -12.040 10.831 -7.983 139 HG11 VAL 19 HG11 VAL 19 -11.294 9.947 -5.859 140 HG12 VAL 19 HG12 VAL 19 -13.043 10.169 -5.780 141 HG13 VAL 19 HG13 VAL 19 -11.971 11.329 -4.997 142 HG21 VAL 19 HG21 VAL 19 -13.252 12.996 -8.109 143 HG22 VAL 19 HG22 VAL 19 -13.282 13.079 -6.347 144 HG23 VAL 19 HG23 VAL 19 -14.176 11.811 -7.183 145 H HIS 20 HN HIS 20 -11.162 14.805 -7.736 146 HA HIS 20 HA HIS 20 -11.318 14.609 -10.574 147 HB2 HIS 20 HB2 HIS 20 -12.405 16.388 -9.164 148 HB3 HIS 20 HB1 HIS 20 -10.810 17.106 -8.949 149 HD2 HIS 20 HD2 HIS 20 -10.310 18.994 -10.891 150 HE1 HIS 20 HE1 HIS 20 -12.739 17.401 -13.955 151 HE2 HIS 20 HE2 HIS 20 -11.177 19.303 -13.334 152 H CYS 21 HN CYS 21 -9.853 15.102 -12.151 153 HA CYS 21 HA CYS 21 -7.026 15.046 -11.374 154 HB2 CYS 21 HB2 CYS 21 -8.341 14.833 -14.088 155 HB3 CYS 21 HB1 CYS 21 -6.625 14.605 -13.759 156 H ASP 22 HN ASP 22 -5.638 16.743 -11.662 157 HA ASP 22 HA ASP 22 -6.696 19.350 -12.007 158 HB2 ASP 22 HB2 ASP 22 -4.588 18.688 -10.714 159 HB3 ASP 22 HB1 ASP 22 -3.796 18.576 -12.279 160 H LYS 23 HN LYS 23 -6.875 20.620 -13.748 161 HA LYS 23 HA LYS 23 -6.632 19.444 -16.353 162 HB2 LYS 23 HB2 LYS 23 -7.118 22.351 -15.608 163 HB3 LYS 23 HB1 LYS 23 -7.390 21.630 -17.191 164 HG2 LYS 23 HG2 LYS 23 -8.855 20.846 -14.632 165 HG3 LYS 23 HG1 LYS 23 -9.521 21.853 -15.907 166 HD2 LYS 23 HD2 LYS 23 -8.628 18.963 -16.291 167 HD3 LYS 23 HD1 LYS 23 -10.290 19.463 -16.017 168 HE2 LYS 23 HE2 LYS 23 -10.197 20.880 -18.062 169 HE3 LYS 23 HE1 LYS 23 -8.560 20.300 -18.368 170 HZ1 LYS 23 HZ1 LYS 23 -10.916 18.516 -18.096 171 HZ2 LYS 23 HZ2 LYS 23 -9.355 18.089 -18.614 172 HZ3 LYS 23 HZ3 LYS 23 -10.335 19.082 -19.586 173 H ALA 24 HN ALA 24 -4.492 21.209 -14.320 174 HA ALA 24 HA ALA 24 -2.643 21.826 -16.527 175 HB1 ALA 24 HB1 ALA 24 -2.073 22.535 -13.675 176 HB2 ALA 24 HB2 ALA 24 -3.278 23.468 -14.564 177 HB3 ALA 24 HB3 ALA 24 -1.619 23.383 -15.154 178 H HIS 25 HN HIS 25 -3.122 19.767 -13.746 179 HA HIS 25 HA HIS 25 -0.644 18.315 -14.410 180 HB2 HIS 25 HB2 HIS 25 -1.748 18.949 -11.662 181 HB3 HIS 25 HB1 HIS 25 -0.467 17.779 -11.952 182 HD2 HIS 25 HD2 HIS 25 -0.881 21.582 -11.496 183 HE1 HIS 25 HE1 HIS 25 3.026 20.995 -12.981 184 HE2 HIS 25 HE2 HIS 25 1.438 22.688 -11.951 185 HA PRO 26 HA PRO 26 -4.558 15.569 -14.274 186 HB2 PRO 26 HB2 PRO 26 -4.690 14.858 -16.881 187 HB3 PRO 26 HB1 PRO 26 -5.458 16.330 -16.248 188 HG2 PRO 26 HG2 PRO 26 -2.857 16.033 -17.668 189 HG3 PRO 26 HG1 PRO 26 -4.155 17.213 -17.937 190 HD2 PRO 26 HD2 PRO 26 -1.952 17.848 -16.504 191 HD3 PRO 26 HD1 PRO 26 -3.553 18.512 -16.103 192 H ASN 27 HN ASN 27 -1.406 15.406 -15.719 193 HA ASN 27 HA ASN 27 -1.150 12.625 -16.113 194 HB2 ASN 27 HB2 ASN 27 0.865 14.826 -15.695 195 HB3 ASN 27 HB1 ASN 27 1.333 13.153 -15.988 196 HD21 ASN 27 HD21 ASN 27 0.215 16.068 -17.503 197 HD22 ASN 27 HD22 ASN 27 0.072 15.441 -19.074 198 H THR 28 HN THR 28 -0.690 14.701 -13.287 199 HA THR 28 HA THR 28 0.462 12.521 -11.721 200 HB THR 28 HB THR 28 0.651 14.215 -9.927 201 HG1 THR 28 HG1 THR 28 -0.888 15.658 -10.161 202 HG21 THR 28 HG21 THR 28 1.650 15.233 -12.600 203 HG22 THR 28 HG22 THR 28 2.422 13.951 -11.667 204 HG23 THR 28 HG23 THR 28 2.340 15.588 -11.015 205 H CYS 29 HN CYS 29 -2.618 13.326 -12.620 206 HA CYS 29 HA CYS 29 -4.078 13.289 -10.263 207 HB2 CYS 29 HB2 CYS 29 -5.066 13.963 -12.331 208 HB3 CYS 29 HB1 CYS 29 -4.839 12.358 -13.025 209 H LYS 30 HN LYS 30 -4.820 11.714 -8.975 210 HA LYS 30 HA LYS 30 -3.484 9.228 -8.878 211 HB2 LYS 30 HB2 LYS 30 -6.022 10.097 -7.471 212 HB3 LYS 30 HB1 LYS 30 -5.018 8.723 -7.018 213 HG2 LYS 30 HG2 LYS 30 -3.920 11.537 -7.180 214 HG3 LYS 30 HG1 LYS 30 -4.632 10.911 -5.705 215 HD2 LYS 30 HD2 LYS 30 -2.367 9.503 -7.160 216 HD3 LYS 30 HD1 LYS 30 -2.089 10.696 -5.898 217 HE2 LYS 30 HE2 LYS 30 -3.475 9.324 -4.340 218 HE3 LYS 30 HE1 LYS 30 -3.624 8.097 -5.598 219 HZ1 LYS 30 HZ1 LYS 30 -1.192 7.940 -5.637 220 HZ2 LYS 30 HZ2 LYS 30 -1.836 7.538 -4.118 221 HZ3 LYS 30 HZ3 LYS 30 -1.099 9.051 -4.361 222 H LYS 31 HN LYS 31 -3.920 7.312 -9.716 223 HA LYS 31 HA LYS 31 -6.600 6.712 -10.761 224 HB2 LYS 31 HB2 LYS 31 -4.031 6.245 -12.302 225 HB3 LYS 31 HB1 LYS 31 -5.636 5.732 -12.810 226 HG2 LYS 31 HG2 LYS 31 -5.030 8.630 -12.215 227 HG3 LYS 31 HG1 LYS 31 -4.734 7.947 -13.809 228 HD2 LYS 31 HD2 LYS 31 -7.425 7.627 -12.457 229 HD3 LYS 31 HD1 LYS 31 -7.040 9.076 -13.381 230 HE2 LYS 31 HE2 LYS 31 -6.673 6.313 -14.548 231 HE3 LYS 31 HE1 LYS 31 -8.208 7.177 -14.659 232 HZ1 LYS 31 HZ1 LYS 31 -6.658 9.086 -15.497 233 HZ2 LYS 31 HZ2 LYS 31 -7.193 7.871 -16.559 234 HZ3 LYS 31 HZ3 LYS 31 -5.627 7.803 -15.900 235 H LYS 32 HN LYS 32 -7.059 4.447 -10.916 236 HA LYS 32 HA LYS 32 -5.199 2.756 -9.346 237 HB2 LYS 32 HB2 LYS 32 -8.227 2.655 -9.113 238 HB3 LYS 32 HB1 LYS 32 -7.060 1.742 -8.162 239 HG2 LYS 32 HG2 LYS 32 -7.236 4.772 -8.171 240 HG3 LYS 32 HG1 LYS 32 -7.973 3.750 -6.946 241 HD2 LYS 32 HD2 LYS 32 -5.761 2.870 -6.322 242 HD3 LYS 32 HD1 LYS 32 -5.002 3.846 -7.578 243 HE2 LYS 32 HE2 LYS 32 -5.839 5.881 -6.512 244 HE3 LYS 32 HE1 LYS 32 -6.577 4.919 -5.227 245 HZ1 LYS 32 HZ1 LYS 32 -4.356 5.829 -4.652 246 HZ2 LYS 32 HZ2 LYS 32 -3.680 4.875 -5.887 247 HZ3 LYS 32 HZ3 LYS 32 -4.436 4.139 -4.555 248 H GLN 33 HN GLN 33 -8.270 2.028 -10.962 249 HA GLN 33 HA GLN 33 -8.690 -0.102 -11.979 250 HB2 GLN 33 HB2 GLN 33 -8.154 0.379 -14.520 251 HB3 GLN 33 HB1 GLN 33 -9.373 1.311 -13.664 252 HG2 GLN 33 HG2 GLN 33 -6.577 2.388 -13.572 253 HG3 GLN 33 HG1 GLN 33 -7.402 2.461 -15.126 254 HE21 GLN 33 HE21 GLN 33 -8.046 4.636 -15.252 255 HE22 GLN 33 HE22 GLN 33 -8.969 5.422 -14.064 256 H ALA 34 HN ALA 34 -5.701 0.701 -13.776 257 HA ALA 34 HA ALA 34 -4.948 -1.962 -14.214 258 HB1 ALA 34 HB1 ALA 34 -2.882 0.198 -14.003 259 HB2 ALA 34 HB2 ALA 34 -4.089 0.268 -15.287 260 HB3 ALA 34 HB3 ALA 34 -3.007 -1.120 -15.167 261 H ASN 35 HN ASN 35 -2.921 -3.001 -13.427 262 HA ASN 35 HA ASN 35 -3.075 -3.439 -10.648 263 HB2 ASN 35 HB2 ASN 35 -0.904 -4.162 -12.621 264 HB3 ASN 35 HB1 ASN 35 -0.966 -4.734 -10.963 265 HD21 ASN 35 HD21 ASN 35 -1.320 -6.971 -11.535 266 HD22 ASN 35 HD22 ASN 35 -2.774 -7.501 -12.232 267 HA PRO 36 HA PRO 36 -0.532 -0.210 -8.981 268 HB2 PRO 36 HB2 PRO 36 0.361 -1.273 -6.681 269 HB3 PRO 36 HB1 PRO 36 -1.357 -0.889 -6.936 270 HG2 PRO 36 HG2 PRO 36 0.035 -3.514 -7.118 271 HG3 PRO 36 HG1 PRO 36 -1.527 -3.115 -6.380 272 HD2 PRO 36 HD2 PRO 36 -1.305 -4.231 -8.853 273 HD3 PRO 36 HD1 PRO 36 -2.655 -3.182 -8.389 274 H TYR 37 HN TYR 37 0.866 -3.341 -9.536 275 HA TYR 37 HA TYR 37 3.555 -2.896 -8.908 276 HB2 TYR 37 HB2 TYR 37 2.556 -5.109 -9.301 277 HB3 TYR 37 HB1 TYR 37 2.323 -4.714 -10.999 278 HD1 TYR 37 HD1 TYR 37 4.920 -5.150 -8.352 279 HD2 TYR 37 HD2 TYR 37 4.115 -4.977 -12.568 280 HE1 TYR 37 HE1 TYR 37 7.232 -5.909 -8.824 281 HE2 TYR 37 HE2 TYR 37 6.429 -5.737 -13.039 282 HH TYR 37 HH TYR 37 8.863 -5.568 -11.020 283 H ARG 38 HN ARG 38 5.149 -1.820 -9.896 284 HA ARG 38 HA ARG 38 4.668 -0.705 -12.598 285 HB2 ARG 38 HB2 ARG 38 4.726 0.991 -10.761 286 HB3 ARG 38 HB1 ARG 38 6.382 0.485 -10.410 287 HG2 ARG 38 HG2 ARG 38 7.070 1.109 -12.690 288 HG3 ARG 38 HG1 ARG 38 5.416 1.591 -13.071 289 HD2 ARG 38 HD2 ARG 38 5.506 3.296 -11.289 290 HD3 ARG 38 HD1 ARG 38 7.157 2.817 -10.915 291 HE ARG 38 HE ARG 38 7.014 3.465 -13.662 292 HH11 ARG 38 HH11 ARG 38 6.811 5.070 -10.544 293 HH12 ARG 38 HH12 ARG 38 7.391 6.586 -11.147 294 HH21 ARG 38 HH21 ARG 38 7.765 5.466 -14.411 295 HH22 ARG 38 HH22 ARG 38 7.928 6.805 -13.326 296 H ARG 39 HN ARG 39 6.234 -0.825 -14.090 297 HA ARG 39 HA ARG 39 8.784 -2.083 -13.372 298 HB2 ARG 39 HB2 ARG 39 7.212 -3.846 -14.152 299 HB3 ARG 39 HB1 ARG 39 7.042 -2.980 -15.675 300 HG2 ARG 39 HG2 ARG 39 8.693 -4.669 -16.066 301 HG3 ARG 39 HG1 ARG 39 9.578 -3.153 -15.928 302 HD2 ARG 39 HD2 ARG 39 10.139 -3.660 -13.597 303 HD3 ARG 39 HD1 ARG 39 9.185 -5.138 -13.665 304 HE ARG 39 HE ARG 39 11.839 -4.716 -14.783 305 HH11 ARG 39 HH11 ARG 39 8.960 -6.734 -14.846 306 HH12 ARG 39 HH12 ARG 39 9.787 -8.100 -15.518 307 HH21 ARG 39 HH21 ARG 39 12.873 -6.523 -15.666 308 HH22 ARG 39 HH22 ARG 39 11.986 -7.978 -15.977 309 H GLY 40 HN GLY 40 10.420 -0.951 -14.196 310 HA2 GLY 40 HA2 GLY 40 9.910 1.148 -16.129 311 HA3 GLY 40 HA1 GLY 40 11.431 0.852 -15.287 312 H CYS 41 HN CYS 41 11.883 1.404 -17.775 313 HA CYS 41 HA CYS 41 11.670 -0.814 -19.593 314 HB2 CYS 41 HB2 CYS 41 12.999 0.560 -21.104 315 HB3 CYS 41 HB1 CYS 41 11.720 1.526 -20.374 316 H GLY 42 HN GLY 42 13.392 -2.056 -20.452 317 HA2 GLY 42 HA2 GLY 42 15.561 -2.540 -18.515 318 HA3 GLY 42 HA1 GLY 42 14.958 -3.708 -19.681 319 H VAL 43 HN VAL 43 15.261 -0.724 -21.209 320 HA VAL 43 HA VAL 43 17.390 -1.560 -22.880 321 HB VAL 43 HB VAL 43 17.314 0.752 -23.780 322 HG11 VAL 43 HG11 VAL 43 14.698 -0.694 -23.318 323 HG12 VAL 43 HG12 VAL 43 15.772 -0.829 -24.711 324 HG13 VAL 43 HG13 VAL 43 14.865 0.658 -24.438 325 HG21 VAL 43 HG21 VAL 43 15.147 1.226 -21.703 326 HG22 VAL 43 HG22 VAL 43 15.767 2.389 -22.875 327 HG23 VAL 43 HG23 VAL 43 16.791 1.845 -21.548 328 H LEU 44 HN LEU 44 17.295 0.321 -19.945 329 HA LEU 44 HA LEU 44 18.916 1.117 -18.539 330 HB2 LEU 44 HB2 LEU 44 20.671 -0.775 -20.122 331 HB3 LEU 44 HB1 LEU 44 21.159 0.035 -18.636 332 HG LEU 44 HG LEU 44 18.703 -1.744 -18.831 333 HD11 LEU 44 HD11 LEU 44 20.787 -3.018 -19.286 334 HD12 LEU 44 HD12 LEU 44 20.062 -3.474 -17.745 335 HD13 LEU 44 HD13 LEU 44 21.469 -2.413 -17.777 336 HD21 LEU 44 HD21 LEU 44 18.576 -0.225 -16.947 337 HD22 LEU 44 HD22 LEU 44 20.263 -0.512 -16.526 338 HD23 LEU 44 HD23 LEU 44 19.069 -1.791 -16.304 339 H GLU 45 HN GLU 45 18.714 2.077 -21.630 340 HA GLU 45 HA GLU 45 21.158 3.438 -22.149 341 HB2 GLU 45 HB2 GLU 45 18.338 3.870 -23.119 342 HB3 GLU 45 HB1 GLU 45 19.710 4.813 -23.697 343 HG2 GLU 45 HG2 GLU 45 20.817 2.818 -24.525 344 HG3 GLU 45 HG1 GLU 45 19.594 1.784 -23.792 345 H GLY 46 HN GLY 46 18.223 4.269 -20.438 346 HA2 GLY 46 HA2 GLY 46 19.012 5.983 -18.555 347 HA3 GLY 46 HA1 GLY 46 19.026 7.033 -19.973 348 H CYS 47 HN CYS 47 16.724 5.331 -21.078 349 HA CYS 47 HA CYS 47 14.458 5.492 -21.224 350 HB2 CYS 47 HB2 CYS 47 15.118 4.530 -18.678 351 HB3 CYS 47 HB1 CYS 47 13.916 5.776 -18.358 352 H HIS 48 HN HIS 48 15.688 7.862 -21.693 353 HA HIS 48 HA HIS 48 14.880 10.087 -20.173 354 HB2 HIS 48 HB2 HIS 48 16.634 10.081 -21.966 355 HB3 HIS 48 HB1 HIS 48 15.344 10.004 -23.165 356 HD2 HIS 48 HD2 HIS 48 17.070 12.624 -20.868 357 HE1 HIS 48 HE1 HIS 48 13.884 14.586 -22.823 358 HE2 HIS 48 HE2 HIS 48 15.938 14.922 -21.367 359 H ARG 49 HN ARG 49 13.341 8.484 -22.955 360 HA ARG 49 HA ARG 49 10.734 9.480 -22.132 361 HB2 ARG 49 HB2 ARG 49 10.203 10.519 -24.278 362 HB3 ARG 49 HB1 ARG 49 11.623 11.297 -23.585 363 HG2 ARG 49 HG2 ARG 49 13.040 9.728 -24.989 364 HG3 ARG 49 HG1 ARG 49 11.561 9.233 -25.802 365 HD2 ARG 49 HD2 ARG 49 11.118 11.560 -26.470 366 HD3 ARG 49 HD1 ARG 49 12.590 12.081 -25.658 367 HE ARG 49 HE ARG 49 13.845 11.184 -27.426 368 HH11 ARG 49 HH11 ARG 49 10.482 10.223 -27.755 369 HH12 ARG 49 HH12 ARG 49 10.687 9.613 -29.364 370 HH21 ARG 49 HH21 ARG 49 14.069 10.373 -29.527 371 HH22 ARG 49 HH22 ARG 49 12.706 9.697 -30.357 372 H GLU 50 HN GLU 50 8.963 8.561 -23.434 373 HA GLU 50 HA GLU 50 9.608 6.179 -24.959 374 HB2 GLU 50 HB2 GLU 50 9.242 5.926 -22.217 375 HB3 GLU 50 HB1 GLU 50 7.642 5.538 -22.847 376 HG2 GLU 50 HG2 GLU 50 10.172 4.297 -23.929 377 HG3 GLU 50 HG1 GLU 50 9.275 3.579 -22.594 378 H THR 51 HN THR 51 6.834 7.647 -23.239 379 HA THR 51 HA THR 51 5.479 8.117 -25.772 380 HB THR 51 HB THR 51 4.823 5.813 -25.268 381 HG1 THR 51 HG1 THR 51 2.858 6.263 -25.834 382 HG21 THR 51 HG21 THR 51 5.156 5.948 -22.793 383 HG22 THR 51 HG22 THR 51 3.602 5.240 -23.237 384 HG23 THR 51 HG23 THR 51 3.683 6.912 -22.680 385 H GLY 52 HN GLY 52 3.755 9.585 -25.656 386 HA2 GLY 52 HA2 GLY 52 2.733 10.662 -23.230 387 HA3 GLY 52 HA1 GLY 52 3.974 11.721 -23.893 388 HA PRO 53 HA PRO 53 -0.258 12.259 -26.144 389 HB2 PRO 53 HB2 PRO 53 -1.186 14.545 -25.041 390 HB3 PRO 53 HB1 PRO 53 -1.524 12.945 -24.343 391 HG2 PRO 53 HG2 PRO 53 0.536 14.950 -23.537 392 HG3 PRO 53 HG1 PRO 53 -0.573 14.009 -22.520 393 HD2 PRO 53 HD2 PRO 53 2.013 13.272 -22.860 394 HD3 PRO 53 HD1 PRO 53 0.710 12.074 -22.655 395 H LYS 54 HN LYS 54 -0.451 13.591 -27.952 396 HA LYS 54 HA LYS 54 1.207 15.982 -28.141 397 HB2 LYS 54 HB2 LYS 54 1.996 15.304 -30.437 398 HB3 LYS 54 HB1 LYS 54 2.742 14.478 -29.076 399 HG2 LYS 54 HG2 LYS 54 1.439 12.493 -29.457 400 HG3 LYS 54 HG1 LYS 54 0.397 13.311 -30.619 401 HD2 LYS 54 HD2 LYS 54 2.021 11.936 -31.836 402 HD3 LYS 54 HD1 LYS 54 2.386 13.639 -32.114 403 HE2 LYS 54 HE2 LYS 54 4.109 13.566 -30.369 404 HE3 LYS 54 HE1 LYS 54 3.772 11.856 -30.079 405 HZ1 LYS 54 HZ1 LYS 54 5.670 12.581 -31.715 406 HZ2 LYS 54 HZ2 LYS 54 4.383 12.719 -32.818 407 HZ3 LYS 54 HZ3 LYS 54 4.704 11.232 -32.061 408 HA PRO 55 HA PRO 55 -3.008 16.736 -29.990 409 HB2 PRO 55 HB2 PRO 55 -3.160 19.340 -29.186 410 HB3 PRO 55 HB1 PRO 55 -3.641 17.974 -28.153 411 HG2 PRO 55 HG2 PRO 55 -1.072 19.492 -28.196 412 HG3 PRO 55 HG1 PRO 55 -2.079 19.029 -26.815 413 HD2 PRO 55 HD2 PRO 55 0.101 17.607 -27.428 414 HD3 PRO 55 HD1 PRO 55 -1.385 16.791 -26.878 415 H THR 56 HN THR 56 0.158 18.152 -30.287 416 HA THR 56 HA THR 56 -0.228 20.198 -32.117 417 HB THR 56 HB THR 56 2.131 18.301 -32.117 418 HG1 THR 56 HG1 THR 56 2.778 19.242 -30.336 419 HG21 THR 56 HG21 THR 56 3.359 20.277 -32.876 420 HG22 THR 56 HG22 THR 56 1.891 21.248 -32.783 421 HG23 THR 56 HG23 THR 56 2.014 19.950 -33.969 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 3.628 27.900 11.174 2 H2 GLU 1 HT2 GLU 1 4.597 28.854 10.155 3 H3 GLU 1 HT3 GLU 1 4.990 28.691 11.800 4 HA GLU 1 HA GLU 1 5.014 26.506 9.793 5 HB2 GLU 1 HB2 GLU 1 7.207 28.168 11.064 6 HB3 GLU 1 HB1 GLU 1 7.524 26.622 10.275 7 HG2 GLU 1 HG2 GLU 1 6.660 27.441 8.167 8 HG3 GLU 1 HG1 GLU 1 6.097 28.928 8.918 9 H ALA 2 HN ALA 2 3.498 26.411 12.177 10 HA ALA 2 HA ALA 2 4.828 24.202 13.545 11 HB1 ALA 2 HB1 ALA 2 5.434 26.214 14.863 12 HB2 ALA 2 HB2 ALA 2 4.423 25.090 15.772 13 HB3 ALA 2 HB3 ALA 2 3.720 26.556 15.090 14 H SER 3 HN SER 3 3.392 22.809 14.652 15 HA SER 3 HA SER 3 1.458 21.574 14.786 16 HB2 SER 3 HB2 SER 3 1.042 23.813 16.180 17 HB3 SER 3 HB1 SER 3 -0.174 24.066 14.934 18 HG SER 3 HG SER 3 -1.114 22.881 16.571 19 H VAL 4 HN VAL 4 -1.061 21.694 13.901 20 HA VAL 4 HA VAL 4 -0.851 22.295 11.004 21 HB VAL 4 HB VAL 4 -2.353 19.966 12.269 22 HG11 VAL 4 HG11 VAL 4 -2.449 19.215 9.834 23 HG12 VAL 4 HG12 VAL 4 -1.925 20.842 9.401 24 HG13 VAL 4 HG13 VAL 4 -3.459 20.602 10.236 25 HG21 VAL 4 HG21 VAL 4 0.245 20.036 10.686 26 HG22 VAL 4 HG22 VAL 4 -0.605 18.567 11.161 27 HG23 VAL 4 HG23 VAL 4 0.084 19.621 12.395 28 H ARG 5 HN ARG 5 -1.709 24.400 11.943 29 HA ARG 5 HA ARG 5 -3.399 25.907 12.316 30 HB2 ARG 5 HB2 ARG 5 -4.722 24.044 10.330 31 HB3 ARG 5 HB1 ARG 5 -5.341 25.638 10.755 32 HG2 ARG 5 HG2 ARG 5 -2.532 25.201 9.696 33 HG3 ARG 5 HG1 ARG 5 -3.904 25.554 8.645 34 HD2 ARG 5 HD2 ARG 5 -4.312 27.656 9.909 35 HD3 ARG 5 HD1 ARG 5 -2.909 27.323 10.913 36 HE ARG 5 HE ARG 5 -2.894 28.212 8.127 37 HH11 ARG 5 HH11 ARG 5 -1.014 26.938 10.812 38 HH12 ARG 5 HH12 ARG 5 0.500 27.467 10.160 39 HH21 ARG 5 HH21 ARG 5 -0.896 28.898 7.322 40 HH22 ARG 5 HH22 ARG 5 0.564 28.571 8.194 41 H TYR 6 HN TYR 6 -5.953 26.052 12.651 42 HA TYR 6 HA TYR 6 -6.915 23.940 14.438 43 HB2 TYR 6 HB2 TYR 6 -5.632 25.595 15.831 44 HB3 TYR 6 HB1 TYR 6 -6.778 26.834 15.322 45 HD1 TYR 6 HD1 TYR 6 -6.438 23.612 17.149 46 HD2 TYR 6 HD2 TYR 6 -8.986 26.956 16.262 47 HE1 TYR 6 HE1 TYR 6 -8.014 22.881 18.920 48 HE2 TYR 6 HE2 TYR 6 -10.562 26.225 18.032 49 HH TYR 6 HH TYR 6 -11.158 24.212 19.242 50 H ILE 7 HN ILE 7 -7.611 27.228 13.248 51 HA ILE 7 HA ILE 7 -10.421 27.043 13.346 52 HB ILE 7 HB ILE 7 -8.590 28.797 11.656 53 HG12 ILE 7 HG12 ILE 7 -10.227 29.500 14.117 54 HG13 ILE 7 HG11 ILE 7 -8.558 28.932 14.224 55 HG21 ILE 7 HG21 ILE 7 -10.922 28.598 10.681 56 HG22 ILE 7 HG22 ILE 7 -10.536 30.224 11.236 57 HG23 ILE 7 HG23 ILE 7 -11.564 29.181 12.217 58 HD11 ILE 7 HD11 ILE 7 -8.456 31.334 14.231 59 HD12 ILE 7 HD12 ILE 7 -9.572 31.449 12.870 60 HD13 ILE 7 HD13 ILE 7 -7.943 30.820 12.623 61 H THR 8 HN THR 8 -8.112 26.443 10.701 62 HA THR 8 HA THR 8 -10.214 24.931 9.268 63 HB THR 8 HB THR 8 -9.317 25.766 7.133 64 HG1 THR 8 HG1 THR 8 -7.405 26.584 7.209 65 HG21 THR 8 HG21 THR 8 -9.879 28.158 8.880 66 HG22 THR 8 HG22 THR 8 -11.141 26.990 8.493 67 HG23 THR 8 HG23 THR 8 -10.349 27.892 7.202 68 H TYR 9 HN TYR 9 -9.396 23.306 7.772 69 HA TYR 9 HA TYR 9 -6.658 22.376 8.337 70 HB2 TYR 9 HB2 TYR 9 -7.472 20.048 8.561 71 HB3 TYR 9 HB1 TYR 9 -8.153 21.092 9.808 72 HD1 TYR 9 HD1 TYR 9 -8.858 19.281 6.657 73 HD2 TYR 9 HD2 TYR 9 -10.520 21.627 9.847 74 HE1 TYR 9 HE1 TYR 9 -11.142 18.662 5.920 75 HE2 TYR 9 HE2 TYR 9 -12.807 21.008 9.111 76 HH TYR 9 HH TYR 9 -13.784 18.890 7.730 77 HA PRO 10 HA PRO 10 -6.434 21.728 3.918 78 HB2 PRO 10 HB2 PRO 10 -4.761 19.612 3.653 79 HB3 PRO 10 HB1 PRO 10 -4.201 21.211 4.196 80 HG2 PRO 10 HG2 PRO 10 -4.844 18.789 5.819 81 HG3 PRO 10 HG1 PRO 10 -3.471 19.903 5.952 82 HD2 PRO 10 HD2 PRO 10 -5.609 20.074 7.604 83 HD3 PRO 10 HD1 PRO 10 -4.694 21.512 7.092 84 H ALA 11 HN ALA 11 -7.330 20.516 2.217 85 HA ALA 11 HA ALA 11 -8.370 17.841 2.680 86 HB1 ALA 11 HB1 ALA 11 -10.287 20.042 1.892 87 HB2 ALA 11 HB2 ALA 11 -10.144 19.414 3.534 88 HB3 ALA 11 HB3 ALA 11 -10.670 18.355 2.226 89 H ILE 12 HN ILE 12 -8.843 16.722 0.783 90 HA ILE 12 HA ILE 12 -8.134 18.091 -1.752 91 HB ILE 12 HB ILE 12 -7.555 15.186 -1.103 92 HG12 ILE 12 HG12 ILE 12 -5.069 16.125 -1.183 93 HG13 ILE 12 HG11 ILE 12 -5.832 17.667 -0.793 94 HG21 ILE 12 HG21 ILE 12 -7.841 15.793 -3.509 95 HG22 ILE 12 HG22 ILE 12 -6.195 15.270 -3.149 96 HG23 ILE 12 HG23 ILE 12 -6.554 16.986 -3.340 97 HD11 ILE 12 HD11 ILE 12 -6.404 16.992 1.333 98 HD12 ILE 12 HD12 ILE 12 -4.992 15.967 1.108 99 HD13 ILE 12 HD13 ILE 12 -6.606 15.299 0.883 100 H ASP 13 HN ASP 13 -9.987 18.322 -2.828 101 HA ASP 13 HA ASP 13 -12.220 17.961 -3.403 102 HB2 ASP 13 HB2 ASP 13 -12.290 16.540 -5.320 103 HB3 ASP 13 HB1 ASP 13 -10.692 17.260 -5.245 104 H ARG 14 HN ARG 14 -11.982 17.010 -0.846 105 HA ARG 14 HA ARG 14 -12.950 14.347 -0.543 106 HB2 ARG 14 HB2 ARG 14 -13.013 16.676 1.398 107 HB3 ARG 14 HB1 ARG 14 -13.375 15.004 1.817 108 HG2 ARG 14 HG2 ARG 14 -10.742 15.830 0.567 109 HG3 ARG 14 HG1 ARG 14 -10.977 15.781 2.305 110 HD2 ARG 14 HD2 ARG 14 -11.409 13.409 0.455 111 HD3 ARG 14 HD1 ARG 14 -9.967 13.680 1.420 112 HE ARG 14 HE ARG 14 -12.113 13.791 3.189 113 HH11 ARG 14 HH11 ARG 14 -10.717 11.395 1.030 114 HH12 ARG 14 HH12 ARG 14 -11.228 10.051 1.996 115 HH21 ARG 14 HH21 ARG 14 -12.760 12.010 4.416 116 HH22 ARG 14 HH22 ARG 14 -12.379 10.401 3.903 117 H GLY 15 HN GLY 15 -14.986 13.571 -0.161 118 HA2 GLY 15 HA2 GLY 15 -17.364 14.239 0.452 119 HA3 GLY 15 HA1 GLY 15 -17.216 15.377 -0.884 120 H ASP 16 HN ASP 16 -19.257 13.857 -1.271 121 HA ASP 16 HA ASP 16 -18.457 11.455 -2.771 122 HB2 ASP 16 HB2 ASP 16 -21.124 12.434 -1.748 123 HB3 ASP 16 HB1 ASP 16 -20.970 11.060 -2.838 124 H HIS 17 HN HIS 17 -17.866 11.943 -4.784 125 HA HIS 17 HA HIS 17 -19.798 12.929 -6.630 126 HB2 HIS 17 HB2 HIS 17 -18.545 14.895 -7.448 127 HB3 HIS 17 HB1 HIS 17 -19.099 15.104 -5.790 128 HD2 HIS 17 HD2 HIS 17 -17.045 15.350 -3.879 129 HE1 HIS 17 HE1 HIS 17 -13.824 15.032 -6.585 130 HE2 HIS 17 HE2 HIS 17 -14.466 15.579 -4.191 131 H ALA 18 HN ALA 18 -18.675 13.288 -8.876 132 HA ALA 18 HA ALA 18 -17.657 10.810 -9.654 133 HB1 ALA 18 HB1 ALA 18 -18.741 11.987 -11.346 134 HB2 ALA 18 HB2 ALA 18 -17.044 12.110 -11.811 135 HB3 ALA 18 HB3 ALA 18 -17.844 13.468 -11.017 136 H VAL 19 HN VAL 19 -15.992 13.775 -8.949 137 HA VAL 19 HA VAL 19 -13.777 14.237 -8.435 138 HB VAL 19 HB VAL 19 -13.200 11.260 -8.705 139 HG11 VAL 19 HG11 VAL 19 -11.177 12.562 -8.723 140 HG12 VAL 19 HG12 VAL 19 -11.336 11.859 -7.114 141 HG13 VAL 19 HG13 VAL 19 -11.741 13.555 -7.377 142 HG21 VAL 19 HG21 VAL 19 -15.031 12.018 -6.970 143 HG22 VAL 19 HG22 VAL 19 -13.672 12.679 -6.068 144 HG23 VAL 19 HG23 VAL 19 -13.737 10.955 -6.427 145 H HIS 20 HN HIS 20 -12.218 15.061 -9.681 146 HA HIS 20 HA HIS 20 -11.679 13.828 -12.300 147 HB2 HIS 20 HB2 HIS 20 -11.721 16.046 -13.387 148 HB3 HIS 20 HB1 HIS 20 -13.295 15.612 -12.722 149 HD2 HIS 20 HD2 HIS 20 -10.597 18.380 -12.302 150 HE1 HIS 20 HE1 HIS 20 -13.514 19.039 -9.324 151 HE2 HIS 20 HE2 HIS 20 -11.470 20.019 -10.467 152 H CYS 21 HN CYS 21 -9.702 14.577 -13.334 153 HA CYS 21 HA CYS 21 -7.558 14.923 -11.388 154 HB2 CYS 21 HB2 CYS 21 -7.598 14.259 -14.327 155 HB3 CYS 21 HB1 CYS 21 -6.105 14.579 -13.455 156 H ASP 22 HN ASP 22 -5.818 16.495 -11.752 157 HA ASP 22 HA ASP 22 -6.807 19.120 -11.984 158 HB2 ASP 22 HB2 ASP 22 -4.774 18.302 -10.682 159 HB3 ASP 22 HB1 ASP 22 -3.915 18.315 -12.220 160 H LYS 23 HN LYS 23 -6.818 20.578 -13.624 161 HA LYS 23 HA LYS 23 -6.507 19.694 -16.340 162 HB2 LYS 23 HB2 LYS 23 -7.053 22.359 -15.040 163 HB3 LYS 23 HB1 LYS 23 -6.692 22.270 -16.761 164 HG2 LYS 23 HG2 LYS 23 -9.084 22.176 -16.568 165 HG3 LYS 23 HG1 LYS 23 -8.554 20.538 -16.948 166 HD2 LYS 23 HD2 LYS 23 -8.782 19.852 -14.643 167 HD3 LYS 23 HD1 LYS 23 -9.069 21.513 -14.121 168 HE2 LYS 23 HE2 LYS 23 -11.145 21.577 -15.454 169 HE3 LYS 23 HE1 LYS 23 -10.862 19.916 -15.975 170 HZ1 LYS 23 HZ1 LYS 23 -11.462 19.093 -13.979 171 HZ2 LYS 23 HZ2 LYS 23 -12.331 20.548 -13.863 172 HZ3 LYS 23 HZ3 LYS 23 -10.822 20.393 -13.100 173 H ALA 24 HN ALA 24 -4.392 21.141 -14.014 174 HA ALA 24 HA ALA 24 -2.368 21.816 -16.037 175 HB1 ALA 24 HB1 ALA 24 -2.638 22.448 -13.102 176 HB2 ALA 24 HB2 ALA 24 -2.570 23.566 -14.463 177 HB3 ALA 24 HB3 ALA 24 -1.122 22.691 -13.970 178 H HIS 25 HN HIS 25 -3.102 19.527 -13.518 179 HA HIS 25 HA HIS 25 -0.664 18.017 -14.200 180 HB2 HIS 25 HB2 HIS 25 -1.897 18.418 -11.460 181 HB3 HIS 25 HB1 HIS 25 -0.654 17.225 -11.801 182 HD2 HIS 25 HD2 HIS 25 -0.855 20.852 -10.717 183 HE1 HIS 25 HE1 HIS 25 2.975 20.431 -12.443 184 HE2 HIS 25 HE2 HIS 25 1.493 21.944 -11.039 185 HA PRO 26 HA PRO 26 -4.776 15.600 -14.567 186 HB2 PRO 26 HB2 PRO 26 -4.810 15.148 -17.228 187 HB3 PRO 26 HB1 PRO 26 -5.484 16.614 -16.481 188 HG2 PRO 26 HG2 PRO 26 -2.831 16.218 -17.773 189 HG3 PRO 26 HG1 PRO 26 -4.005 17.529 -18.013 190 HD2 PRO 26 HD2 PRO 26 -1.874 17.860 -16.397 191 HD3 PRO 26 HD1 PRO 26 -3.451 18.583 -16.013 192 H ASN 27 HN ASN 27 -1.579 15.244 -15.878 193 HA ASN 27 HA ASN 27 -1.792 12.357 -16.233 194 HB2 ASN 27 HB2 ASN 27 0.575 14.209 -16.545 195 HB3 ASN 27 HB1 ASN 27 0.556 12.498 -16.970 196 HD21 ASN 27 HD21 ASN 27 -1.688 12.050 -18.373 197 HD22 ASN 27 HD22 ASN 27 -1.847 13.108 -19.691 198 H THR 28 HN THR 28 -1.078 14.441 -13.626 199 HA THR 28 HA THR 28 0.211 12.216 -12.165 200 HB THR 28 HB THR 28 1.509 13.896 -10.881 201 HG1 THR 28 HG1 THR 28 0.449 15.640 -12.844 202 HG21 THR 28 HG21 THR 28 2.359 12.714 -12.969 203 HG22 THR 28 HG22 THR 28 3.184 14.215 -12.545 204 HG23 THR 28 HG23 THR 28 1.993 14.200 -13.846 205 H CYS 29 HN CYS 29 -2.665 13.421 -12.375 206 HA CYS 29 HA CYS 29 -3.307 14.619 -9.917 207 HB2 CYS 29 HB2 CYS 29 -5.625 14.009 -10.393 208 HB3 CYS 29 HB1 CYS 29 -4.827 14.618 -11.841 209 H LYS 30 HN LYS 30 -4.557 13.713 -8.147 210 HA LYS 30 HA LYS 30 -3.192 11.631 -6.838 211 HB2 LYS 30 HB2 LYS 30 -5.864 12.907 -6.288 212 HB3 LYS 30 HB1 LYS 30 -5.089 11.759 -5.203 213 HG2 LYS 30 HG2 LYS 30 -3.724 14.295 -6.139 214 HG3 LYS 30 HG1 LYS 30 -4.693 14.232 -4.672 215 HD2 LYS 30 HD2 LYS 30 -2.328 12.378 -5.164 216 HD3 LYS 30 HD1 LYS 30 -2.191 13.919 -4.332 217 HE2 LYS 30 HE2 LYS 30 -3.904 13.154 -2.689 218 HE3 LYS 30 HE1 LYS 30 -3.922 11.579 -3.482 219 HZ1 LYS 30 HZ1 LYS 30 -1.453 11.537 -3.083 220 HZ2 LYS 30 HZ2 LYS 30 -2.428 11.397 -1.698 221 HZ3 LYS 30 HZ3 LYS 30 -1.670 12.874 -2.063 222 H LYS 31 HN LYS 31 -6.286 11.587 -8.518 223 HA LYS 31 HA LYS 31 -6.162 8.635 -8.504 224 HB2 LYS 31 HB2 LYS 31 -8.612 10.242 -7.776 225 HB3 LYS 31 HB1 LYS 31 -8.508 8.491 -7.881 226 HG2 LYS 31 HG2 LYS 31 -6.758 10.114 -6.010 227 HG3 LYS 31 HG1 LYS 31 -8.301 9.462 -5.508 228 HD2 LYS 31 HD2 LYS 31 -6.065 7.747 -6.645 229 HD3 LYS 31 HD1 LYS 31 -6.291 8.026 -4.923 230 HE2 LYS 31 HE2 LYS 31 -8.618 7.119 -5.127 231 HE3 LYS 31 HE1 LYS 31 -8.270 6.713 -6.807 232 HZ1 LYS 31 HZ1 LYS 31 -7.889 4.814 -5.400 233 HZ2 LYS 31 HZ2 LYS 31 -6.818 5.702 -4.423 234 HZ3 LYS 31 HZ3 LYS 31 -6.412 5.349 -6.036 235 H LYS 32 HN LYS 32 -7.217 7.589 -10.117 236 HA LYS 32 HA LYS 32 -8.087 7.204 -12.184 237 HB2 LYS 32 HB2 LYS 32 -9.080 10.058 -12.380 238 HB3 LYS 32 HB1 LYS 32 -9.768 8.599 -13.077 239 HG2 LYS 32 HG2 LYS 32 -9.724 9.242 -10.100 240 HG3 LYS 32 HG1 LYS 32 -11.119 9.429 -11.151 241 HD2 LYS 32 HD2 LYS 32 -11.281 7.065 -11.524 242 HD3 LYS 32 HD1 LYS 32 -9.703 6.771 -10.789 243 HE2 LYS 32 HE2 LYS 32 -10.536 7.566 -8.643 244 HE3 LYS 32 HE1 LYS 32 -12.134 7.856 -9.345 245 HZ1 LYS 32 HZ1 LYS 32 -12.554 5.624 -9.540 246 HZ2 LYS 32 HZ2 LYS 32 -11.601 5.620 -8.132 247 HZ3 LYS 32 HZ3 LYS 32 -10.915 5.199 -9.629 248 H GLN 33 HN GLN 33 -8.015 8.074 -14.513 249 HA GLN 33 HA GLN 33 -5.756 9.816 -15.011 250 HB2 GLN 33 HB2 GLN 33 -4.481 8.124 -16.254 251 HB3 GLN 33 HB1 GLN 33 -4.692 7.672 -14.556 252 HG2 GLN 33 HG2 GLN 33 -6.658 6.256 -15.262 253 HG3 GLN 33 HG1 GLN 33 -6.220 6.579 -16.938 254 HE21 GLN 33 HE21 GLN 33 -4.821 5.068 -17.843 255 HE22 GLN 33 HE22 GLN 33 -3.775 4.061 -16.962 256 H ALA 34 HN ALA 34 -8.089 7.552 -16.410 257 HA ALA 34 HA ALA 34 -8.020 8.524 -19.059 258 HB1 ALA 34 HB1 ALA 34 -10.538 7.441 -17.827 259 HB2 ALA 34 HB2 ALA 34 -9.149 6.387 -18.100 260 HB3 ALA 34 HB3 ALA 34 -9.911 7.213 -19.461 261 H ASN 35 HN ASN 35 -9.035 10.157 -20.091 262 HA ASN 35 HA ASN 35 -10.041 12.365 -18.543 263 HB2 ASN 35 HB2 ASN 35 -9.874 11.919 -21.525 264 HB3 ASN 35 HB1 ASN 35 -10.363 13.431 -20.769 265 HD21 ASN 35 HD21 ASN 35 -8.540 14.719 -21.336 266 HD22 ASN 35 HD22 ASN 35 -6.963 14.372 -20.815 267 HA PRO 36 HA PRO 36 -14.393 11.515 -18.701 268 HB2 PRO 36 HB2 PRO 36 -15.503 13.975 -18.749 269 HB3 PRO 36 HB1 PRO 36 -14.667 13.344 -17.314 270 HG2 PRO 36 HG2 PRO 36 -13.680 15.225 -19.393 271 HG3 PRO 36 HG1 PRO 36 -13.477 15.281 -17.634 272 HD2 PRO 36 HD2 PRO 36 -11.529 14.384 -19.303 273 HD3 PRO 36 HD1 PRO 36 -11.720 13.795 -17.642 274 H TYR 37 HN TYR 37 -12.949 13.505 -21.145 275 HA TYR 37 HA TYR 37 -15.182 13.315 -23.001 276 HB2 TYR 37 HB2 TYR 37 -13.841 15.396 -22.729 277 HB3 TYR 37 HB1 TYR 37 -12.427 14.517 -23.288 278 HD1 TYR 37 HD1 TYR 37 -15.842 15.625 -24.299 279 HD2 TYR 37 HD2 TYR 37 -12.036 14.133 -25.621 280 HE1 TYR 37 HE1 TYR 37 -16.496 16.045 -26.653 281 HE2 TYR 37 HE2 TYR 37 -12.690 14.555 -27.977 282 HH TYR 37 HH TYR 37 -15.900 15.248 -28.894 283 H ARG 38 HN ARG 38 -15.352 11.626 -24.376 284 HA ARG 38 HA ARG 38 -13.105 9.781 -24.682 285 HB2 ARG 38 HB2 ARG 38 -15.456 9.001 -24.124 286 HB3 ARG 38 HB1 ARG 38 -15.895 9.477 -25.770 287 HG2 ARG 38 HG2 ARG 38 -14.216 7.955 -26.695 288 HG3 ARG 38 HG1 ARG 38 -13.692 7.510 -25.071 289 HD2 ARG 38 HD2 ARG 38 -15.970 6.644 -24.599 290 HD3 ARG 38 HD1 ARG 38 -16.439 7.030 -26.253 291 HE ARG 38 HE ARG 38 -14.137 5.418 -26.367 292 HH11 ARG 38 HH11 ARG 38 -17.496 5.109 -25.379 293 HH12 ARG 38 HH12 ARG 38 -17.568 3.414 -25.729 294 HH21 ARG 38 HH21 ARG 38 -14.278 3.209 -26.812 295 HH22 ARG 38 HH22 ARG 38 -15.755 2.346 -26.537 296 H ARG 39 HN ARG 39 -15.521 11.160 -26.925 297 HA ARG 39 HA ARG 39 -13.562 12.048 -28.774 298 HB2 ARG 39 HB2 ARG 39 -13.334 9.594 -29.006 299 HB3 ARG 39 HB1 ARG 39 -15.022 9.508 -29.492 300 HG2 ARG 39 HG2 ARG 39 -14.595 10.886 -31.456 301 HG3 ARG 39 HG1 ARG 39 -12.936 11.181 -30.935 302 HD2 ARG 39 HD2 ARG 39 -12.929 9.450 -32.643 303 HD3 ARG 39 HD1 ARG 39 -12.486 8.738 -31.095 304 HE ARG 39 HE ARG 39 -15.308 8.547 -31.551 305 HH11 ARG 39 HH11 ARG 39 -12.249 7.073 -32.463 306 HH12 ARG 39 HH12 ARG 39 -12.960 5.538 -32.834 307 HH21 ARG 39 HH21 ARG 39 -16.195 6.527 -32.053 308 HH22 ARG 39 HH22 ARG 39 -15.182 5.234 -32.604 309 H GLY 40 HN GLY 40 -14.481 13.098 -30.584 310 HA2 GLY 40 HA2 GLY 40 -17.138 14.091 -30.110 311 HA3 GLY 40 HA1 GLY 40 -16.054 14.598 -31.407 312 H CYS 41 HN CYS 41 -18.368 14.465 -32.409 313 HA CYS 41 HA CYS 41 -19.495 11.939 -33.019 314 HB2 CYS 41 HB2 CYS 41 -20.919 13.134 -34.556 315 HB3 CYS 41 HB1 CYS 41 -20.709 14.123 -33.115 316 H GLY 42 HN GLY 42 -19.629 10.887 -35.085 317 HA2 GLY 42 HA2 GLY 42 -17.108 11.063 -36.605 318 HA3 GLY 42 HA1 GLY 42 -18.137 9.641 -36.519 319 H VAL 43 HN VAL 43 -20.162 12.268 -36.896 320 HA VAL 43 HA VAL 43 -20.865 11.607 -39.571 321 HB VAL 43 HB VAL 43 -22.372 13.567 -39.438 322 HG11 VAL 43 HG11 VAL 43 -23.658 12.738 -37.416 323 HG12 VAL 43 HG12 VAL 43 -22.292 11.674 -37.079 324 HG13 VAL 43 HG13 VAL 43 -23.208 11.487 -38.574 325 HG21 VAL 43 HG21 VAL 43 -21.347 13.953 -36.613 326 HG22 VAL 43 HG22 VAL 43 -22.438 14.997 -37.519 327 HG23 VAL 43 HG23 VAL 43 -20.735 14.911 -37.961 328 H LEU 44 HN LEU 44 -18.712 13.953 -38.179 329 HA LEU 44 HA LEU 44 -17.230 15.457 -39.070 330 HB2 LEU 44 HB2 LEU 44 -17.548 13.671 -41.492 331 HB3 LEU 44 HB1 LEU 44 -16.291 14.892 -41.302 332 HG LEU 44 HG LEU 44 -16.716 12.618 -39.330 333 HD11 LEU 44 HD11 LEU 44 -16.093 11.718 -41.538 334 HD12 LEU 44 HD12 LEU 44 -14.744 11.571 -40.409 335 HD13 LEU 44 HD13 LEU 44 -14.741 12.848 -41.626 336 HD21 LEU 44 HD21 LEU 44 -14.302 13.243 -38.761 337 HD22 LEU 44 HD22 LEU 44 -15.502 14.465 -38.335 338 HD23 LEU 44 HD23 LEU 44 -14.512 14.667 -39.780 339 H GLU 45 HN GLU 45 -20.337 15.666 -39.707 340 HA GLU 45 HA GLU 45 -20.579 17.226 -42.070 341 HB2 GLU 45 HB2 GLU 45 -22.280 17.041 -39.584 342 HB3 GLU 45 HB1 GLU 45 -22.721 18.014 -40.988 343 HG2 GLU 45 HG2 GLU 45 -22.754 16.069 -42.421 344 HG3 GLU 45 HG1 GLU 45 -22.089 15.053 -41.147 345 H GLY 46 HN GLY 46 -19.884 17.991 -38.723 346 HA2 GLY 46 HA2 GLY 46 -18.453 20.330 -39.204 347 HA3 GLY 46 HA1 GLY 46 -20.116 20.809 -38.844 348 H CYS 47 HN CYS 47 -20.908 19.094 -36.941 349 HA CYS 47 HA CYS 47 -20.864 18.751 -34.677 350 HB2 CYS 47 HB2 CYS 47 -18.599 17.550 -35.816 351 HB3 CYS 47 HB1 CYS 47 -17.966 18.405 -34.420 352 H HIS 48 HN HIS 48 -20.798 21.448 -35.447 353 HA HIS 48 HA HIS 48 -19.551 22.644 -33.092 354 HB2 HIS 48 HB2 HIS 48 -18.515 24.479 -34.410 355 HB3 HIS 48 HB1 HIS 48 -17.784 22.911 -34.706 356 HD2 HIS 48 HD2 HIS 48 -20.249 25.378 -36.576 357 HE1 HIS 48 HE1 HIS 48 -18.733 22.628 -39.392 358 HE2 HIS 48 HE2 HIS 48 -20.146 24.717 -39.099 359 H ARG 49 HN ARG 49 -20.266 24.805 -32.641 360 HA ARG 49 HA ARG 49 -23.030 25.089 -32.934 361 HB2 ARG 49 HB2 ARG 49 -21.751 26.008 -31.030 362 HB3 ARG 49 HB1 ARG 49 -21.001 27.183 -32.106 363 HG2 ARG 49 HG2 ARG 49 -23.203 28.169 -32.595 364 HG3 ARG 49 HG1 ARG 49 -23.985 26.967 -31.567 365 HD2 ARG 49 HD2 ARG 49 -22.748 27.801 -29.618 366 HD3 ARG 49 HD1 ARG 49 -21.915 28.974 -30.632 367 HE ARG 49 HE ARG 49 -23.845 30.290 -30.637 368 HH11 ARG 49 HH11 ARG 49 -24.609 27.127 -29.317 369 HH12 ARG 49 HH12 ARG 49 -26.181 27.603 -28.767 370 HH21 ARG 49 HH21 ARG 49 -25.896 30.872 -29.890 371 HH22 ARG 49 HH22 ARG 49 -26.903 29.712 -29.090 372 H GLU 50 HN GLU 50 -20.355 26.879 -34.496 373 HA GLU 50 HA GLU 50 -22.072 27.463 -36.792 374 HB2 GLU 50 HB2 GLU 50 -20.782 29.621 -35.118 375 HB3 GLU 50 HB1 GLU 50 -21.319 29.871 -36.770 376 HG2 GLU 50 HG2 GLU 50 -23.141 28.850 -34.575 377 HG3 GLU 50 HG1 GLU 50 -23.023 30.542 -35.043 378 H THR 51 HN THR 51 -20.862 28.393 -38.590 379 HA THR 51 HA THR 51 -18.472 26.993 -39.132 380 HB THR 51 HB THR 51 -19.674 29.410 -40.509 381 HG1 THR 51 HG1 THR 51 -20.477 27.711 -41.911 382 HG21 THR 51 HG21 THR 51 -17.774 27.316 -41.620 383 HG22 THR 51 HG22 THR 51 -17.273 28.925 -41.101 384 HG23 THR 51 HG23 THR 51 -18.381 28.743 -42.461 385 H GLY 52 HN GLY 52 -19.146 30.353 -38.200 386 HA2 GLY 52 HA2 GLY 52 -16.686 30.719 -36.851 387 HA3 GLY 52 HA1 GLY 52 -16.623 31.459 -38.449 388 HA PRO 53 HA PRO 53 -18.779 34.355 -35.359 389 HB2 PRO 53 HB2 PRO 53 -17.154 36.519 -35.577 390 HB3 PRO 53 HB1 PRO 53 -16.834 35.188 -34.440 391 HG2 PRO 53 HG2 PRO 53 -15.647 35.689 -37.133 392 HG3 PRO 53 HG1 PRO 53 -14.850 35.205 -35.623 393 HD2 PRO 53 HD2 PRO 53 -15.437 33.405 -37.560 394 HD3 PRO 53 HD1 PRO 53 -15.478 32.976 -35.832 395 H LYS 54 HN LYS 54 -20.144 36.092 -35.911 396 HA LYS 54 HA LYS 54 -20.068 37.027 -38.710 397 HB2 LYS 54 HB2 LYS 54 -22.533 36.121 -37.187 398 HB3 LYS 54 HB1 LYS 54 -22.551 36.867 -38.782 399 HG2 LYS 54 HG2 LYS 54 -20.918 34.379 -38.238 400 HG3 LYS 54 HG1 LYS 54 -22.623 34.268 -38.664 401 HD2 LYS 54 HD2 LYS 54 -20.687 35.871 -40.352 402 HD3 LYS 54 HD1 LYS 54 -20.898 34.138 -40.594 403 HE2 LYS 54 HE2 LYS 54 -23.164 36.155 -40.652 404 HE3 LYS 54 HE1 LYS 54 -22.371 35.502 -42.082 405 HZ1 LYS 54 HZ1 LYS 54 -24.109 34.144 -40.140 406 HZ2 LYS 54 HZ2 LYS 54 -22.938 33.245 -40.982 407 HZ3 LYS 54 HZ3 LYS 54 -24.142 34.088 -41.834 408 HA PRO 55 HA PRO 55 -20.323 40.621 -35.625 409 HB2 PRO 55 HB2 PRO 55 -18.497 42.209 -36.885 410 HB3 PRO 55 HB1 PRO 55 -18.050 40.982 -35.676 411 HG2 PRO 55 HG2 PRO 55 -18.005 40.803 -38.655 412 HG3 PRO 55 HG1 PRO 55 -16.767 40.324 -37.482 413 HD2 PRO 55 HD2 PRO 55 -18.388 38.485 -38.571 414 HD3 PRO 55 HD1 PRO 55 -17.908 38.377 -36.857 415 H THR 56 HN THR 56 -20.442 40.343 -39.116 416 HA THR 56 HA THR 56 -21.264 42.848 -39.923 417 HB THR 56 HB THR 56 -22.387 40.285 -41.056 418 HG1 THR 56 HG1 THR 56 -19.851 41.506 -41.393 419 HG21 THR 56 HG21 THR 56 -21.548 42.843 -42.428 420 HG22 THR 56 HG22 THR 56 -23.196 42.542 -41.874 421 HG23 THR 56 HG23 THR 56 -22.476 41.508 -43.110 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 -0.594 -23.030 -1.458 2 H2 GLU 1 HT2 GLU 1 -1.106 -24.312 -0.467 3 H3 GLU 1 HT3 GLU 1 0.255 -24.497 -1.469 4 HA GLU 1 HA GLU 1 -0.022 -23.055 1.066 5 HB2 GLU 1 HB2 GLU 1 1.015 -25.386 0.740 6 HB3 GLU 1 HB1 GLU 1 2.336 -24.567 -0.093 7 HG2 GLU 1 HG2 GLU 1 2.738 -23.173 1.910 8 HG3 GLU 1 HG1 GLU 1 1.425 -23.997 2.744 9 H ALA 2 HN ALA 2 -0.310 -21.319 -1.026 10 HA ALA 2 HA ALA 2 2.037 -20.202 -2.110 11 HB1 ALA 2 HB1 ALA 2 -0.521 -18.725 -1.462 12 HB2 ALA 2 HB2 ALA 2 -0.301 -19.736 -2.889 13 HB3 ALA 2 HB3 ALA 2 0.685 -18.291 -2.672 14 H SER 3 HN SER 3 0.294 -19.552 0.897 15 HA SER 3 HA SER 3 2.665 -18.357 2.076 16 HB2 SER 3 HB2 SER 3 1.576 -16.430 0.959 17 HB3 SER 3 HB1 SER 3 0.102 -16.762 1.860 18 HG SER 3 HG SER 3 2.667 -16.077 2.887 19 H VAL 4 HN VAL 4 2.121 -17.647 4.411 20 HA VAL 4 HA VAL 4 1.091 -19.887 5.803 21 HB VAL 4 HB VAL 4 1.360 -18.491 7.841 22 HG11 VAL 4 HG11 VAL 4 3.805 -18.157 7.592 23 HG12 VAL 4 HG12 VAL 4 3.640 -18.354 5.848 24 HG13 VAL 4 HG13 VAL 4 3.282 -19.702 6.924 25 HG21 VAL 4 HG21 VAL 4 2.021 -16.202 7.734 26 HG22 VAL 4 HG22 VAL 4 0.705 -16.330 6.568 27 HG23 VAL 4 HG23 VAL 4 2.373 -16.296 6.009 28 H ARG 5 HN ARG 5 -0.387 -16.931 4.678 29 HA ARG 5 HA ARG 5 -2.922 -17.705 5.981 30 HB2 ARG 5 HB2 ARG 5 -1.682 -15.042 5.448 31 HB3 ARG 5 HB1 ARG 5 -3.414 -15.149 5.170 32 HG2 ARG 5 HG2 ARG 5 -3.319 -14.537 7.439 33 HG3 ARG 5 HG1 ARG 5 -3.492 -16.289 7.531 34 HD2 ARG 5 HD2 ARG 5 -1.726 -15.563 9.050 35 HD3 ARG 5 HD1 ARG 5 -1.022 -16.496 7.732 36 HE ARG 5 HE ARG 5 0.047 -14.551 6.981 37 HH11 ARG 5 HH11 ARG 5 -2.338 -13.700 9.418 38 HH12 ARG 5 HH12 ARG 5 -1.792 -12.062 9.555 39 HH21 ARG 5 HH21 ARG 5 0.729 -12.409 7.193 40 HH22 ARG 5 HH22 ARG 5 -0.065 -11.338 8.299 41 H TYR 6 HN TYR 6 -4.886 -17.344 4.724 42 HA TYR 6 HA TYR 6 -4.431 -17.717 1.822 43 HB2 TYR 6 HB2 TYR 6 -6.641 -18.850 3.562 44 HB3 TYR 6 HB1 TYR 6 -6.549 -19.021 1.810 45 HD1 TYR 6 HD1 TYR 6 -5.167 -20.092 5.033 46 HD2 TYR 6 HD2 TYR 6 -4.772 -20.385 0.765 47 HE1 TYR 6 HE1 TYR 6 -3.681 -22.060 5.305 48 HE2 TYR 6 HE2 TYR 6 -3.285 -22.353 1.037 49 HH TYR 6 HH TYR 6 -2.866 -23.926 4.102 50 H ILE 7 HN ILE 7 -4.964 -15.253 3.586 51 HA ILE 7 HA ILE 7 -7.339 -14.269 2.145 52 HB ILE 7 HB ILE 7 -7.855 -12.897 4.124 53 HG12 ILE 7 HG12 ILE 7 -5.733 -14.517 5.580 54 HG13 ILE 7 HG11 ILE 7 -5.430 -12.886 4.971 55 HG21 ILE 7 HG21 ILE 7 -8.841 -15.174 3.785 56 HG22 ILE 7 HG22 ILE 7 -8.760 -14.694 5.479 57 HG23 ILE 7 HG23 ILE 7 -7.577 -15.829 4.827 58 HD11 ILE 7 HD11 ILE 7 -7.687 -13.578 6.879 59 HD12 ILE 7 HD12 ILE 7 -7.163 -11.965 6.394 60 HD13 ILE 7 HD13 ILE 7 -6.118 -12.968 7.401 61 H THR 8 HN THR 8 -7.421 -11.990 1.759 62 HA THR 8 HA THR 8 -4.782 -10.661 1.628 63 HB THR 8 HB THR 8 -6.983 -10.530 -0.467 64 HG1 THR 8 HG1 THR 8 -4.397 -11.670 -0.660 65 HG21 THR 8 HG21 THR 8 -5.429 -9.214 -1.764 66 HG22 THR 8 HG22 THR 8 -4.148 -9.459 -0.578 67 HG23 THR 8 HG23 THR 8 -5.548 -8.466 -0.171 68 H TYR 9 HN TYR 9 -4.724 -8.546 2.249 69 HA TYR 9 HA TYR 9 -6.705 -7.575 3.975 70 HB2 TYR 9 HB2 TYR 9 -4.501 -6.068 2.548 71 HB3 TYR 9 HB1 TYR 9 -5.453 -5.420 3.884 72 HD1 TYR 9 HD1 TYR 9 -2.993 -8.010 2.910 73 HD2 TYR 9 HD2 TYR 9 -5.073 -6.129 6.165 74 HE1 TYR 9 HE1 TYR 9 -1.482 -9.131 4.520 75 HE2 TYR 9 HE2 TYR 9 -3.556 -7.253 7.778 76 HH TYR 9 HH TYR 9 -1.415 -8.286 7.873 77 HA PRO 10 HA PRO 10 -9.598 -5.798 1.027 78 HB2 PRO 10 HB2 PRO 10 -11.122 -4.264 2.594 79 HB3 PRO 10 HB1 PRO 10 -11.108 -6.036 2.768 80 HG2 PRO 10 HG2 PRO 10 -9.682 -3.973 4.384 81 HG3 PRO 10 HG1 PRO 10 -10.589 -5.399 4.932 82 HD2 PRO 10 HD2 PRO 10 -7.853 -5.367 4.721 83 HD3 PRO 10 HD1 PRO 10 -8.815 -6.851 4.536 84 H ALA 11 HN ALA 11 -10.251 -3.784 0.011 85 HA ALA 11 HA ALA 11 -9.885 -1.719 -0.892 86 HB1 ALA 11 HB1 ALA 11 -8.722 -0.976 1.797 87 HB2 ALA 11 HB2 ALA 11 -10.451 -1.024 1.454 88 HB3 ALA 11 HB3 ALA 11 -9.412 0.111 0.591 89 H ILE 12 HN ILE 12 -8.393 -2.055 -2.461 90 HA ILE 12 HA ILE 12 -5.635 -2.568 -2.027 91 HB ILE 12 HB ILE 12 -7.057 -1.409 -4.452 92 HG12 ILE 12 HG12 ILE 12 -7.925 -3.651 -3.839 93 HG13 ILE 12 HG11 ILE 12 -7.002 -3.742 -5.334 94 HG21 ILE 12 HG21 ILE 12 -5.067 -2.282 -5.729 95 HG22 ILE 12 HG22 ILE 12 -4.269 -2.575 -4.185 96 HG23 ILE 12 HG23 ILE 12 -4.697 -0.930 -4.656 97 HD11 ILE 12 HD11 ILE 12 -6.100 -5.577 -4.234 98 HD12 ILE 12 HD12 ILE 12 -6.374 -4.889 -2.636 99 HD13 ILE 12 HD13 ILE 12 -5.010 -4.338 -3.606 100 H ASP 13 HN ASP 13 -7.488 0.350 -2.734 101 HA ASP 13 HA ASP 13 -5.492 2.009 -1.426 102 HB2 ASP 13 HB2 ASP 13 -4.787 1.949 -3.818 103 HB3 ASP 13 HB1 ASP 13 -6.366 2.582 -4.269 104 H ARG 14 HN ARG 14 -8.370 2.195 -3.491 105 HA ARG 14 HA ARG 14 -10.280 3.474 -3.359 106 HB2 ARG 14 HB2 ARG 14 -10.064 2.482 -0.504 107 HB3 ARG 14 HB1 ARG 14 -11.525 3.149 -1.233 108 HG2 ARG 14 HG2 ARG 14 -11.433 1.371 -2.976 109 HG3 ARG 14 HG1 ARG 14 -10.028 0.678 -2.165 110 HD2 ARG 14 HD2 ARG 14 -11.967 -0.541 -1.415 111 HD3 ARG 14 HD1 ARG 14 -11.425 0.473 -0.082 112 HE ARG 14 HE ARG 14 -13.368 1.871 -1.611 113 HH11 ARG 14 HH11 ARG 14 -13.131 -0.802 0.657 114 HH12 ARG 14 HH12 ARG 14 -14.752 -0.614 1.238 115 HH21 ARG 14 HH21 ARG 14 -15.477 2.082 -0.831 116 HH22 ARG 14 HH22 ARG 14 -16.072 1.016 0.399 117 H GLY 15 HN GLY 15 -11.501 5.089 -1.614 118 HA2 GLY 15 HA2 GLY 15 -10.023 6.911 -0.099 119 HA3 GLY 15 HA1 GLY 15 -10.067 7.532 -1.748 120 H ASP 16 HN ASP 16 -11.232 8.951 0.318 121 HA ASP 16 HA ASP 16 -14.101 8.413 0.279 122 HB2 ASP 16 HB2 ASP 16 -12.448 10.517 1.686 123 HB3 ASP 16 HB1 ASP 16 -14.204 10.419 1.790 124 H HIS 17 HN HIS 17 -11.805 10.850 -0.889 125 HA HIS 17 HA HIS 17 -13.692 11.644 -2.954 126 HB2 HIS 17 HB2 HIS 17 -12.650 13.672 -0.954 127 HB3 HIS 17 HB1 HIS 17 -13.539 14.055 -2.425 128 HD2 HIS 17 HD2 HIS 17 -14.298 13.193 1.222 129 HE1 HIS 17 HE1 HIS 17 -17.897 12.540 -0.888 130 HE2 HIS 17 HE2 HIS 17 -16.862 12.744 1.423 131 H ALA 18 HN ALA 18 -12.241 10.898 -4.477 132 HA ALA 18 HA ALA 18 -9.504 11.880 -4.509 133 HB1 ALA 18 HB1 ALA 18 -11.052 9.934 -6.178 134 HB2 ALA 18 HB2 ALA 18 -9.565 9.688 -5.260 135 HB3 ALA 18 HB3 ALA 18 -9.525 10.588 -6.775 136 H VAL 19 HN VAL 19 -12.396 13.165 -5.491 137 HA VAL 19 HA VAL 19 -13.107 14.720 -6.956 138 HB VAL 19 HB VAL 19 -11.784 16.761 -6.919 139 HG11 VAL 19 HG11 VAL 19 -13.126 16.363 -4.979 140 HG12 VAL 19 HG12 VAL 19 -11.561 16.931 -4.397 141 HG13 VAL 19 HG13 VAL 19 -11.955 15.213 -4.332 142 HG21 VAL 19 HG21 VAL 19 -9.548 15.571 -7.156 143 HG22 VAL 19 HG22 VAL 19 -9.664 15.185 -5.440 144 HG23 VAL 19 HG23 VAL 19 -9.578 16.868 -5.963 145 H HIS 20 HN HIS 20 -12.431 16.245 -8.806 146 HA HIS 20 HA HIS 20 -11.847 14.612 -11.070 147 HB2 HIS 20 HB2 HIS 20 -13.402 16.601 -11.038 148 HB3 HIS 20 HB1 HIS 20 -11.974 17.633 -10.984 149 HD2 HIS 20 HD2 HIS 20 -13.988 15.544 -13.575 150 HE1 HIS 20 HE1 HIS 20 -10.585 17.065 -15.560 151 HE2 HIS 20 HE2 HIS 20 -12.806 15.875 -15.879 152 H CYS 21 HN CYS 21 -10.082 14.695 -12.501 153 HA CYS 21 HA CYS 21 -7.542 15.012 -11.322 154 HB2 CYS 21 HB2 CYS 21 -8.480 14.561 -14.130 155 HB3 CYS 21 HB1 CYS 21 -6.780 14.909 -13.810 156 H ASP 22 HN ASP 22 -5.817 16.490 -11.860 157 HA ASP 22 HA ASP 22 -6.744 19.199 -11.981 158 HB2 ASP 22 HB2 ASP 22 -4.103 17.808 -11.717 159 HB3 ASP 22 HB1 ASP 22 -4.162 19.531 -12.061 160 H LYS 23 HN LYS 23 -6.806 20.500 -13.648 161 HA LYS 23 HA LYS 23 -6.598 19.479 -16.302 162 HB2 LYS 23 HB2 LYS 23 -7.017 22.250 -15.186 163 HB3 LYS 23 HB1 LYS 23 -7.079 21.877 -16.910 164 HG2 LYS 23 HG2 LYS 23 -9.027 20.598 -16.727 165 HG3 LYS 23 HG1 LYS 23 -8.763 20.216 -15.027 166 HD2 LYS 23 HD2 LYS 23 -9.286 22.485 -14.385 167 HD3 LYS 23 HD1 LYS 23 -9.490 22.967 -16.078 168 HE2 LYS 23 HE2 LYS 23 -11.372 21.417 -16.316 169 HE3 LYS 23 HE1 LYS 23 -11.128 20.833 -14.669 170 HZ1 LYS 23 HZ1 LYS 23 -11.725 22.923 -13.786 171 HZ2 LYS 23 HZ2 LYS 23 -12.907 22.553 -14.951 172 HZ3 LYS 23 HZ3 LYS 23 -11.680 23.676 -15.305 173 H ALA 24 HN ALA 24 -4.439 21.160 -14.187 174 HA ALA 24 HA ALA 24 -2.516 21.741 -16.339 175 HB1 ALA 24 HB1 ALA 24 -1.395 23.168 -14.831 176 HB2 ALA 24 HB2 ALA 24 -2.160 22.424 -13.426 177 HB3 ALA 24 HB3 ALA 24 -3.108 23.445 -14.508 178 H HIS 25 HN HIS 25 -3.115 19.616 -13.662 179 HA HIS 25 HA HIS 25 -0.629 18.156 -14.254 180 HB2 HIS 25 HB2 HIS 25 -1.838 18.757 -11.549 181 HB3 HIS 25 HB1 HIS 25 -0.602 17.530 -11.795 182 HD2 HIS 25 HD2 HIS 25 -0.838 21.297 -11.180 183 HE1 HIS 25 HE1 HIS 25 3.052 20.631 -12.676 184 HE2 HIS 25 HE2 HIS 25 1.526 22.331 -11.568 185 HA PRO 26 HA PRO 26 -4.568 15.450 -14.325 186 HB2 PRO 26 HB2 PRO 26 -4.721 14.894 -16.966 187 HB3 PRO 26 HB1 PRO 26 -5.470 16.338 -16.248 188 HG2 PRO 26 HG2 PRO 26 -2.873 16.088 -17.684 189 HG3 PRO 26 HG1 PRO 26 -4.156 17.296 -17.893 190 HD2 PRO 26 HD2 PRO 26 -1.947 17.825 -16.429 191 HD3 PRO 26 HD1 PRO 26 -3.539 18.488 -15.995 192 H ASN 27 HN ASN 27 -1.446 15.365 -15.852 193 HA ASN 27 HA ASN 27 -1.207 12.590 -16.347 194 HB2 ASN 27 HB2 ASN 27 0.845 14.772 -15.956 195 HB3 ASN 27 HB1 ASN 27 1.280 13.109 -16.333 196 HD21 ASN 27 HD21 ASN 27 1.827 15.335 -18.114 197 HD22 ASN 27 HD22 ASN 27 0.916 15.102 -19.528 198 H THR 28 HN THR 28 -0.594 14.601 -13.512 199 HA THR 28 HA THR 28 0.360 12.227 -12.021 200 HB THR 28 HB THR 28 1.268 13.843 -10.380 201 HG1 THR 28 HG1 THR 28 0.649 15.828 -10.500 202 HG21 THR 28 HG21 THR 28 2.085 14.146 -13.274 203 HG22 THR 28 HG22 THR 28 2.783 13.069 -12.064 204 HG23 THR 28 HG23 THR 28 3.021 14.812 -11.935 205 H CYS 29 HN CYS 29 -2.510 13.496 -12.602 206 HA CYS 29 HA CYS 29 -3.544 14.103 -10.040 207 HB2 CYS 29 HB2 CYS 29 -5.645 14.282 -11.112 208 HB3 CYS 29 HB1 CYS 29 -4.483 14.768 -12.324 209 H LYS 30 HN LYS 30 -5.460 12.772 -9.142 210 HA LYS 30 HA LYS 30 -4.469 10.207 -8.389 211 HB2 LYS 30 HB2 LYS 30 -7.182 11.473 -7.926 212 HB3 LYS 30 HB1 LYS 30 -6.606 10.005 -7.144 213 HG2 LYS 30 HG2 LYS 30 -5.040 12.586 -6.985 214 HG3 LYS 30 HG1 LYS 30 -6.334 12.234 -5.846 215 HD2 LYS 30 HD2 LYS 30 -4.089 10.263 -6.340 216 HD3 LYS 30 HD1 LYS 30 -3.937 11.557 -5.154 217 HE2 LYS 30 HE2 LYS 30 -6.166 9.494 -5.175 218 HE3 LYS 30 HE1 LYS 30 -4.746 9.432 -4.135 219 HZ1 LYS 30 HZ1 LYS 30 -6.985 11.341 -4.097 220 HZ2 LYS 30 HZ2 LYS 30 -5.469 11.799 -3.482 221 HZ3 LYS 30 HZ3 LYS 30 -6.298 10.474 -2.812 222 H LYS 31 HN LYS 31 -5.151 8.179 -8.918 223 HA LYS 31 HA LYS 31 -7.122 7.906 -11.098 224 HB2 LYS 31 HB2 LYS 31 -4.493 6.413 -10.895 225 HB3 LYS 31 HB1 LYS 31 -5.747 6.106 -12.088 226 HG2 LYS 31 HG2 LYS 31 -4.409 8.796 -11.771 227 HG3 LYS 31 HG1 LYS 31 -3.839 7.570 -12.900 228 HD2 LYS 31 HD2 LYS 31 -6.117 7.557 -13.953 229 HD3 LYS 31 HD1 LYS 31 -6.575 8.890 -12.893 230 HE2 LYS 31 HE2 LYS 31 -4.731 10.246 -13.819 231 HE3 LYS 31 HE1 LYS 31 -4.303 8.925 -14.898 232 HZ1 LYS 31 HZ1 LYS 31 -5.671 10.429 -16.101 233 HZ2 LYS 31 HZ2 LYS 31 -6.841 10.459 -14.868 234 HZ3 LYS 31 HZ3 LYS 31 -6.604 9.047 -15.785 235 H LYS 32 HN LYS 32 -8.255 5.960 -11.203 236 HA LYS 32 HA LYS 32 -8.135 4.269 -8.779 237 HB2 LYS 32 HB2 LYS 32 -10.708 5.305 -10.015 238 HB3 LYS 32 HB1 LYS 32 -10.562 4.295 -8.581 239 HG2 LYS 32 HG2 LYS 32 -9.385 7.082 -8.805 240 HG3 LYS 32 HG1 LYS 32 -10.936 6.730 -8.054 241 HD2 LYS 32 HD2 LYS 32 -9.845 5.328 -6.374 242 HD3 LYS 32 HD1 LYS 32 -8.279 5.555 -7.151 243 HE2 LYS 32 HE2 LYS 32 -8.444 7.967 -6.789 244 HE3 LYS 32 HE1 LYS 32 -9.994 7.747 -5.966 245 HZ1 LYS 32 HZ1 LYS 32 -7.655 6.220 -5.047 246 HZ2 LYS 32 HZ2 LYS 32 -9.009 6.749 -4.168 247 HZ3 LYS 32 HZ3 LYS 32 -7.790 7.849 -4.602 248 H GLN 33 HN GLN 33 -8.922 2.138 -9.019 249 HA GLN 33 HA GLN 33 -9.736 1.233 -11.650 250 HB2 GLN 33 HB2 GLN 33 -7.945 -0.418 -11.899 251 HB3 GLN 33 HB1 GLN 33 -7.266 1.207 -11.810 252 HG2 GLN 33 HG2 GLN 33 -6.966 0.793 -9.314 253 HG3 GLN 33 HG1 GLN 33 -7.340 -0.890 -9.634 254 HE21 GLN 33 HE21 GLN 33 -4.722 1.123 -9.275 255 HE22 GLN 33 HE22 GLN 33 -3.597 0.287 -10.232 256 H ALA 34 HN ALA 34 -10.064 -1.192 -11.621 257 HA ALA 34 HA ALA 34 -10.626 -2.418 -9.063 258 HB1 ALA 34 HB1 ALA 34 -13.086 -2.815 -9.855 259 HB2 ALA 34 HB2 ALA 34 -12.820 -1.355 -10.809 260 HB3 ALA 34 HB3 ALA 34 -12.668 -1.301 -9.052 261 H ASN 35 HN ASN 35 -11.287 -4.642 -9.250 262 HA ASN 35 HA ASN 35 -10.009 -5.986 -11.426 263 HB2 ASN 35 HB2 ASN 35 -10.780 -8.040 -10.318 264 HB3 ASN 35 HB1 ASN 35 -9.985 -6.945 -9.205 265 HD21 ASN 35 HD21 ASN 35 -11.142 -7.688 -7.311 266 HD22 ASN 35 HD22 ASN 35 -12.809 -7.441 -7.112 267 HA PRO 36 HA PRO 36 -13.382 -6.461 -14.216 268 HB2 PRO 36 HB2 PRO 36 -12.773 -8.696 -15.567 269 HB3 PRO 36 HB1 PRO 36 -11.763 -7.237 -15.667 270 HG2 PRO 36 HG2 PRO 36 -11.322 -9.734 -14.122 271 HG3 PRO 36 HG1 PRO 36 -10.155 -8.723 -14.992 272 HD2 PRO 36 HD2 PRO 36 -10.568 -8.665 -12.264 273 HD3 PRO 36 HD1 PRO 36 -9.826 -7.342 -13.178 274 H TYR 37 HN TYR 37 -12.787 -9.087 -12.012 275 HA TYR 37 HA TYR 37 -15.074 -10.676 -12.572 276 HB2 TYR 37 HB2 TYR 37 -13.084 -11.514 -11.359 277 HB3 TYR 37 HB1 TYR 37 -13.461 -10.435 -10.019 278 HD1 TYR 37 HD1 TYR 37 -14.763 -13.316 -12.004 279 HD2 TYR 37 HD2 TYR 37 -15.094 -11.041 -8.375 280 HE1 TYR 37 HE1 TYR 37 -16.309 -15.020 -11.079 281 HE2 TYR 37 HE2 TYR 37 -16.641 -12.747 -7.449 282 HH TYR 37 HH TYR 37 -18.097 -15.139 -9.358 283 H ARG 38 HN ARG 38 -17.135 -10.508 -11.893 284 HA ARG 38 HA ARG 38 -17.834 -8.277 -10.081 285 HB2 ARG 38 HB2 ARG 38 -18.689 -8.114 -12.448 286 HB3 ARG 38 HB1 ARG 38 -19.640 -9.568 -12.124 287 HG2 ARG 38 HG2 ARG 38 -20.773 -8.429 -10.261 288 HG3 ARG 38 HG1 ARG 38 -19.816 -6.976 -10.552 289 HD2 ARG 38 HD2 ARG 38 -20.777 -6.814 -12.827 290 HD3 ARG 38 HD1 ARG 38 -21.755 -8.243 -12.506 291 HE ARG 38 HE ARG 38 -22.251 -6.347 -10.471 292 HH11 ARG 38 HH11 ARG 38 -22.840 -6.762 -13.908 293 HH12 ARG 38 HH12 ARG 38 -24.270 -5.786 -13.905 294 HH21 ARG 38 HH21 ARG 38 -24.121 -5.075 -10.511 295 HH22 ARG 38 HH22 ARG 38 -24.988 -4.836 -11.991 296 H ARG 39 HN ARG 39 -19.197 -8.620 -8.431 297 HA ARG 39 HA ARG 39 -20.047 -11.396 -7.916 298 HB2 ARG 39 HB2 ARG 39 -18.061 -10.745 -6.563 299 HB3 ARG 39 HB1 ARG 39 -18.995 -9.416 -5.882 300 HG2 ARG 39 HG2 ARG 39 -20.625 -11.002 -4.944 301 HG3 ARG 39 HG1 ARG 39 -19.737 -12.354 -5.651 302 HD2 ARG 39 HD2 ARG 39 -17.760 -11.774 -4.311 303 HD3 ARG 39 HD1 ARG 39 -18.615 -10.399 -3.622 304 HE ARG 39 HE ARG 39 -19.803 -11.867 -2.244 305 HH11 ARG 39 HH11 ARG 39 -18.049 -13.713 -4.669 306 HH12 ARG 39 HH12 ARG 39 -18.357 -15.237 -3.906 307 HH21 ARG 39 HH21 ARG 39 -20.174 -13.878 -1.278 308 HH22 ARG 39 HH22 ARG 39 -19.553 -15.326 -1.997 309 H GLY 40 HN GLY 40 -22.184 -11.498 -7.822 310 HA2 GLY 40 HA2 GLY 40 -23.755 -9.089 -7.495 311 HA3 GLY 40 HA1 GLY 40 -24.369 -10.685 -7.922 312 H CYS 41 HN CYS 41 -25.916 -9.509 -6.261 313 HA CYS 41 HA CYS 41 -25.205 -10.031 -3.477 314 HB2 CYS 41 HB2 CYS 41 -26.342 -7.950 -3.998 315 HB3 CYS 41 HB1 CYS 41 -27.658 -8.825 -4.773 316 H GLY 42 HN GLY 42 -25.486 -12.034 -2.702 317 HA2 GLY 42 HA2 GLY 42 -27.919 -13.529 -3.457 318 HA3 GLY 42 HA1 GLY 42 -26.351 -14.321 -3.539 319 H VAL 43 HN VAL 43 -26.532 -12.100 -0.945 320 HA VAL 43 HA VAL 43 -26.281 -14.122 1.035 321 HB VAL 43 HB VAL 43 -26.457 -12.265 2.664 322 HG11 VAL 43 HG11 VAL 43 -24.331 -12.798 1.443 323 HG12 VAL 43 HG12 VAL 43 -24.441 -11.115 1.960 324 HG13 VAL 43 HG13 VAL 43 -24.740 -11.541 0.275 325 HG21 VAL 43 HG21 VAL 43 -28.156 -10.900 1.482 326 HG22 VAL 43 HG22 VAL 43 -27.000 -10.574 0.193 327 HG23 VAL 43 HG23 VAL 43 -26.713 -9.942 1.814 328 H LEU 44 HN LEU 44 -29.009 -12.315 -0.194 329 HA LEU 44 HA LEU 44 -31.268 -12.523 0.058 330 HB2 LEU 44 HB2 LEU 44 -30.499 -15.220 1.191 331 HB3 LEU 44 HB1 LEU 44 -32.154 -14.726 0.838 332 HG LEU 44 HG LEU 44 -29.935 -14.687 -1.230 333 HD11 LEU 44 HD11 LEU 44 -32.051 -16.800 -0.709 334 HD12 LEU 44 HD12 LEU 44 -30.318 -16.992 -0.449 335 HD13 LEU 44 HD13 LEU 44 -30.946 -16.782 -2.084 336 HD21 LEU 44 HD21 LEU 44 -31.986 -14.743 -2.772 337 HD22 LEU 44 HD22 LEU 44 -31.763 -13.245 -1.870 338 HD23 LEU 44 HD23 LEU 44 -32.964 -14.422 -1.337 339 H GLU 45 HN GLU 45 -29.312 -11.970 2.619 340 HA GLU 45 HA GLU 45 -31.012 -12.335 4.882 341 HB2 GLU 45 HB2 GLU 45 -28.690 -10.468 4.370 342 HB3 GLU 45 HB1 GLU 45 -29.519 -10.580 5.923 343 HG2 GLU 45 HG2 GLU 45 -28.939 -12.918 6.145 344 HG3 GLU 45 HG1 GLU 45 -28.289 -12.964 4.510 345 H GLY 46 HN GLY 46 -30.589 -9.802 2.530 346 HA2 GLY 46 HA2 GLY 46 -33.195 -8.722 3.018 347 HA3 GLY 46 HA1 GLY 46 -31.897 -7.643 3.540 348 H CYS 47 HN CYS 47 -30.158 -7.253 1.915 349 HA CYS 47 HA CYS 47 -29.412 -6.529 -0.097 350 HB2 CYS 47 HB2 CYS 47 -29.993 -9.001 -0.637 351 HB3 CYS 47 HB1 CYS 47 -31.373 -8.323 -1.503 352 H HIS 48 HN HIS 48 -32.811 -7.133 -0.960 353 HA HIS 48 HA HIS 48 -32.986 -4.486 -2.101 354 HB2 HIS 48 HB2 HIS 48 -33.956 -6.493 -3.219 355 HB3 HIS 48 HB1 HIS 48 -35.093 -6.640 -1.883 356 HD2 HIS 48 HD2 HIS 48 -37.442 -5.247 -2.393 357 HE1 HIS 48 HE1 HIS 48 -35.920 -2.507 -5.219 358 HE2 HIS 48 HE2 HIS 48 -38.017 -3.290 -4.020 359 H ARG 49 HN ARG 49 -33.940 -2.765 -1.203 360 HA ARG 49 HA ARG 49 -34.488 -2.624 1.544 361 HB2 ARG 49 HB2 ARG 49 -33.859 -0.676 0.121 362 HB3 ARG 49 HB1 ARG 49 -35.456 -0.736 -0.623 363 HG2 ARG 49 HG2 ARG 49 -35.657 0.907 1.088 364 HG3 ARG 49 HG1 ARG 49 -36.394 -0.532 1.773 365 HD2 ARG 49 HD2 ARG 49 -34.898 0.501 3.416 366 HD3 ARG 49 HD1 ARG 49 -34.274 -1.071 2.932 367 HE ARG 49 HE ARG 49 -32.445 0.004 1.961 368 HH11 ARG 49 HH11 ARG 49 -34.931 2.387 2.660 369 HH12 ARG 49 HH12 ARG 49 -33.915 3.738 2.282 370 HH21 ARG 49 HH21 ARG 49 -31.155 1.795 1.472 371 HH22 ARG 49 HH22 ARG 49 -31.789 3.400 1.616 372 H GLU 50 HN GLU 50 -36.640 -3.028 -1.228 373 HA GLU 50 HA GLU 50 -38.802 -3.786 -1.411 374 HB2 GLU 50 HB2 GLU 50 -38.758 -4.240 1.591 375 HB3 GLU 50 HB1 GLU 50 -39.936 -4.872 0.447 376 HG2 GLU 50 HG2 GLU 50 -38.050 -6.034 -0.739 377 HG3 GLU 50 HG1 GLU 50 -36.991 -5.551 0.575 378 H THR 51 HN THR 51 -37.956 -1.033 -0.744 379 HA THR 51 HA THR 51 -40.557 0.116 -0.585 380 HB THR 51 HB THR 51 -38.676 0.839 1.679 381 HG1 THR 51 HG1 THR 51 -39.396 -1.068 2.321 382 HG21 THR 51 HG21 THR 51 -40.309 2.564 0.841 383 HG22 THR 51 HG22 THR 51 -40.555 2.097 2.523 384 HG23 THR 51 HG23 THR 51 -41.611 1.455 1.268 385 H GLY 52 HN GLY 52 -39.927 0.940 -2.590 386 HA2 GLY 52 HA2 GLY 52 -38.618 3.477 -2.560 387 HA3 GLY 52 HA1 GLY 52 -37.588 2.243 -3.276 388 HA PRO 53 HA PRO 53 -41.507 2.293 -6.179 389 HB2 PRO 53 HB2 PRO 53 -43.264 4.375 -5.832 390 HB3 PRO 53 HB1 PRO 53 -43.447 2.763 -5.101 391 HG2 PRO 53 HG2 PRO 53 -42.371 5.256 -3.877 392 HG3 PRO 53 HG1 PRO 53 -43.495 4.066 -3.202 393 HD2 PRO 53 HD2 PRO 53 -40.901 4.056 -2.522 394 HD3 PRO 53 HD1 PRO 53 -41.807 2.536 -2.721 395 H LYS 54 HN LYS 54 -40.051 5.290 -5.026 396 HA LYS 54 HA LYS 54 -39.046 7.052 -6.072 397 HB2 LYS 54 HB2 LYS 54 -38.899 5.098 -8.404 398 HB3 LYS 54 HB1 LYS 54 -37.999 6.607 -8.288 399 HG2 LYS 54 HG2 LYS 54 -37.791 4.469 -6.157 400 HG3 LYS 54 HG1 LYS 54 -36.768 4.440 -7.590 401 HD2 LYS 54 HD2 LYS 54 -36.973 6.913 -5.857 402 HD3 LYS 54 HD1 LYS 54 -35.834 5.622 -5.486 403 HE2 LYS 54 HE2 LYS 54 -35.967 7.089 -8.142 404 HE3 LYS 54 HE1 LYS 54 -34.801 7.419 -6.864 405 HZ1 LYS 54 HZ1 LYS 54 -33.675 5.954 -8.223 406 HZ2 LYS 54 HZ2 LYS 54 -35.057 5.025 -8.563 407 HZ3 LYS 54 HZ3 LYS 54 -34.308 4.916 -7.041 408 HA PRO 55 HA PRO 55 -43.252 7.709 -8.013 409 HB2 PRO 55 HB2 PRO 55 -43.990 9.901 -6.525 410 HB3 PRO 55 HB1 PRO 55 -44.317 8.220 -6.047 411 HG2 PRO 55 HG2 PRO 55 -42.095 10.024 -5.212 412 HG3 PRO 55 HG1 PRO 55 -43.122 8.970 -4.224 413 HD2 PRO 55 HD2 PRO 55 -40.653 8.189 -4.915 414 HD3 PRO 55 HD1 PRO 55 -42.000 7.026 -4.878 415 H THR 56 HN THR 56 -40.548 9.777 -7.283 416 HA THR 56 HA THR 56 -41.022 12.178 -8.446 417 HB THR 56 HB THR 56 -38.917 11.625 -7.325 418 HG1 THR 56 HG1 THR 56 -38.594 13.370 -8.518 419 HG21 THR 56 HG21 THR 56 -38.604 9.358 -8.257 420 HG22 THR 56 HG22 THR 56 -37.163 10.348 -8.489 421 HG23 THR 56 HG23 THR 56 -38.260 10.057 -9.839 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 18.211 6.263 10.021 2 H2 GLU 1 HT2 GLU 1 18.876 5.544 11.412 3 H3 GLU 1 HT3 GLU 1 19.793 6.642 10.496 4 HA GLU 1 HA GLU 1 19.059 7.810 12.406 5 HB2 GLU 1 HB2 GLU 1 17.256 8.487 10.051 6 HB3 GLU 1 HB1 GLU 1 17.658 9.564 11.385 7 HG2 GLU 1 HG2 GLU 1 19.239 10.277 9.854 8 HG3 GLU 1 HG1 GLU 1 20.172 9.004 10.618 9 H ALA 2 HN ALA 2 18.065 6.751 14.069 10 HA ALA 2 HA ALA 2 15.586 5.419 13.951 11 HB1 ALA 2 HB1 ALA 2 16.580 6.711 16.474 12 HB2 ALA 2 HB2 ALA 2 17.450 5.347 15.769 13 HB3 ALA 2 HB3 ALA 2 15.769 5.158 16.263 14 H SER 3 HN SER 3 16.432 8.744 14.860 15 HA SER 3 HA SER 3 15.143 10.604 15.303 16 HB2 SER 3 HB2 SER 3 14.919 10.394 12.854 17 HB3 SER 3 HB1 SER 3 13.512 9.360 13.065 18 HG SER 3 HG SER 3 13.760 12.083 13.217 19 H VAL 4 HN VAL 4 12.514 11.231 15.354 20 HA VAL 4 HA VAL 4 11.058 9.190 16.849 21 HB VAL 4 HB VAL 4 12.347 10.416 18.569 22 HG11 VAL 4 HG11 VAL 4 11.993 12.780 18.979 23 HG12 VAL 4 HG12 VAL 4 10.821 12.871 17.665 24 HG13 VAL 4 HG13 VAL 4 12.522 12.566 17.310 25 HG21 VAL 4 HG21 VAL 4 9.982 9.576 18.975 26 HG22 VAL 4 HG22 VAL 4 9.429 11.226 18.697 27 HG23 VAL 4 HG23 VAL 4 10.503 10.873 20.051 28 H ARG 5 HN ARG 5 8.999 9.145 16.210 29 HA ARG 5 HA ARG 5 7.509 11.532 15.572 30 HB2 ARG 5 HB2 ARG 5 8.822 11.123 13.475 31 HB3 ARG 5 HB1 ARG 5 8.019 9.560 13.331 32 HG2 ARG 5 HG2 ARG 5 5.839 10.640 13.183 33 HG3 ARG 5 HG1 ARG 5 6.565 12.222 13.468 34 HD2 ARG 5 HD2 ARG 5 7.208 10.429 11.112 35 HD3 ARG 5 HD1 ARG 5 6.111 11.805 11.055 36 HE ARG 5 HE ARG 5 8.536 12.750 12.078 37 HH11 ARG 5 HH11 ARG 5 7.393 11.333 9.072 38 HH12 ARG 5 HH12 ARG 5 8.578 12.142 8.100 39 HH21 ARG 5 HH21 ARG 5 10.065 13.782 10.771 40 HH22 ARG 5 HH22 ARG 5 10.081 13.516 9.059 41 H TYR 6 HN TYR 6 5.373 11.234 15.861 42 HA TYR 6 HA TYR 6 4.296 8.499 15.901 43 HB2 TYR 6 HB2 TYR 6 3.830 10.621 18.011 44 HB3 TYR 6 HB1 TYR 6 2.920 9.117 17.889 45 HD1 TYR 6 HD1 TYR 6 6.164 10.634 18.735 46 HD2 TYR 6 HD2 TYR 6 3.978 6.958 18.355 47 HE1 TYR 6 HE1 TYR 6 7.939 9.450 20.001 48 HE2 TYR 6 HE2 TYR 6 5.749 5.769 19.617 49 HH TYR 6 HH TYR 6 7.912 5.937 20.384 50 H ILE 7 HN ILE 7 2.225 8.310 15.112 51 HA ILE 7 HA ILE 7 0.958 10.806 14.168 52 HB ILE 7 HB ILE 7 2.004 9.646 12.282 53 HG12 ILE 7 HG12 ILE 7 -0.135 9.228 10.900 54 HG13 ILE 7 HG11 ILE 7 -1.030 9.574 12.386 55 HG21 ILE 7 HG21 ILE 7 1.643 7.416 11.696 56 HG22 ILE 7 HG22 ILE 7 0.161 7.284 12.635 57 HG23 ILE 7 HG23 ILE 7 1.721 7.327 13.452 58 HD11 ILE 7 HD11 ILE 7 1.054 11.478 11.300 59 HD12 ILE 7 HD12 ILE 7 -0.211 11.805 12.486 60 HD13 ILE 7 HD13 ILE 7 -0.633 11.553 10.793 61 H THR 8 HN THR 8 -0.240 10.730 16.149 62 HA THR 8 HA THR 8 -2.444 8.750 16.135 63 HB THR 8 HB THR 8 -2.602 9.092 18.582 64 HG1 THR 8 HG1 THR 8 -1.647 10.807 19.287 65 HG21 THR 8 HG21 THR 8 0.213 8.333 17.774 66 HG22 THR 8 HG22 THR 8 -1.183 7.288 17.507 67 HG23 THR 8 HG23 THR 8 -0.715 7.730 19.148 68 H TYR 9 HN TYR 9 -1.762 11.986 15.550 69 HA TYR 9 HA TYR 9 -3.992 13.260 16.784 70 HB2 TYR 9 HB2 TYR 9 -2.271 14.077 14.440 71 HB3 TYR 9 HB1 TYR 9 -3.483 15.116 15.187 72 HD1 TYR 9 HD1 TYR 9 -0.265 13.363 15.720 73 HD2 TYR 9 HD2 TYR 9 -3.120 16.128 17.350 74 HE1 TYR 9 HE1 TYR 9 1.370 14.021 17.464 75 HE2 TYR 9 HE2 TYR 9 -1.484 16.785 19.097 76 HH TYR 9 HH TYR 9 1.741 16.151 18.923 77 HA PRO 10 HA PRO 10 -7.211 12.092 13.875 78 HB2 PRO 10 HB2 PRO 10 -9.022 14.055 14.204 79 HB3 PRO 10 HB1 PRO 10 -8.687 12.862 15.482 80 HG2 PRO 10 HG2 PRO 10 -7.685 15.660 15.206 81 HG3 PRO 10 HG1 PRO 10 -8.307 14.823 16.642 82 HD2 PRO 10 HD2 PRO 10 -5.638 15.127 16.163 83 HD3 PRO 10 HD1 PRO 10 -6.294 13.735 17.052 84 H ALA 11 HN ALA 11 -7.908 12.499 11.767 85 HA ALA 11 HA ALA 11 -7.504 15.079 10.513 86 HB1 ALA 11 HB1 ALA 11 -5.989 12.695 9.436 87 HB2 ALA 11 HB2 ALA 11 -5.253 13.985 10.386 88 HB3 ALA 11 HB3 ALA 11 -5.965 14.345 8.813 89 H ILE 12 HN ILE 12 -8.829 15.376 8.778 90 HA ILE 12 HA ILE 12 -10.134 13.047 7.576 91 HB ILE 12 HB ILE 12 -11.825 15.401 8.545 92 HG12 ILE 12 HG12 ILE 12 -11.677 12.637 9.844 93 HG13 ILE 12 HG11 ILE 12 -10.787 14.027 10.469 94 HG21 ILE 12 HG21 ILE 12 -12.533 13.834 6.581 95 HG22 ILE 12 HG22 ILE 12 -13.691 14.087 7.880 96 HG23 ILE 12 HG23 ILE 12 -12.744 12.605 7.824 97 HD11 ILE 12 HD11 ILE 12 -12.803 13.970 11.731 98 HD12 ILE 12 HD12 ILE 12 -13.785 13.668 10.297 99 HD13 ILE 12 HD13 ILE 12 -13.043 15.249 10.541 100 H ASP 13 HN ASP 13 -11.919 15.729 6.558 101 HA ASP 13 HA ASP 13 -10.720 15.809 3.993 102 HB2 ASP 13 HB2 ASP 13 -13.123 16.296 4.452 103 HB3 ASP 13 HB1 ASP 13 -12.639 17.789 5.244 104 H ARG 14 HN ARG 14 -10.662 17.983 6.770 105 HA ARG 14 HA ARG 14 -9.466 19.852 7.264 106 HB2 ARG 14 HB2 ARG 14 -7.304 18.145 6.003 107 HB3 ARG 14 HB1 ARG 14 -7.001 19.586 6.975 108 HG2 ARG 14 HG2 ARG 14 -8.384 18.481 8.814 109 HG3 ARG 14 HG1 ARG 14 -8.307 17.006 7.856 110 HD2 ARG 14 HD2 ARG 14 -5.894 18.560 8.829 111 HD3 ARG 14 HD1 ARG 14 -6.511 17.087 9.567 112 HE ARG 14 HE ARG 14 -6.090 16.451 6.901 113 HH11 ARG 14 HH11 ARG 14 -4.088 17.618 9.541 114 HH12 ARG 14 HH12 ARG 14 -2.643 16.878 8.937 115 HH21 ARG 14 HH21 ARG 14 -4.174 15.508 6.141 116 HH22 ARG 14 HH22 ARG 14 -2.695 15.691 7.022 117 H GLY 15 HN GLY 15 -7.449 19.325 4.380 118 HA2 GLY 15 HA2 GLY 15 -7.909 22.039 3.504 119 HA3 GLY 15 HA1 GLY 15 -6.833 20.860 2.760 120 H ASP 16 HN ASP 16 -8.046 22.213 0.950 121 HA ASP 16 HA ASP 16 -10.639 21.101 0.225 122 HB2 ASP 16 HB2 ASP 16 -10.176 23.506 -0.136 123 HB3 ASP 16 HB1 ASP 16 -8.882 23.083 -1.249 124 H HIS 17 HN HIS 17 -10.647 19.113 -0.597 125 HA HIS 17 HA HIS 17 -8.567 18.361 -2.564 126 HB2 HIS 17 HB2 HIS 17 -10.308 16.579 -0.835 127 HB3 HIS 17 HB1 HIS 17 -9.139 16.012 -2.026 128 HD2 HIS 17 HD2 HIS 17 -9.197 16.941 1.671 129 HE1 HIS 17 HE1 HIS 17 -5.142 17.134 0.513 130 HE2 HIS 17 HE2 HIS 17 -6.727 17.119 2.497 131 H ALA 18 HN ALA 18 -9.145 17.966 -4.604 132 HA ALA 18 HA ALA 18 -12.028 17.944 -5.259 133 HB1 ALA 18 HB1 ALA 18 -11.155 19.786 -6.369 134 HB2 ALA 18 HB2 ALA 18 -11.042 18.536 -7.609 135 HB3 ALA 18 HB3 ALA 18 -9.612 18.995 -6.686 136 H VAL 19 HN VAL 19 -12.906 16.225 -6.181 137 HA VAL 19 HA VAL 19 -11.521 13.776 -6.448 138 HB VAL 19 HB VAL 19 -14.247 14.655 -7.462 139 HG11 VAL 19 HG11 VAL 19 -13.062 11.861 -7.302 140 HG12 VAL 19 HG12 VAL 19 -13.506 12.722 -8.777 141 HG13 VAL 19 HG13 VAL 19 -14.756 12.220 -7.639 142 HG21 VAL 19 HG21 VAL 19 -13.851 14.651 -4.982 143 HG22 VAL 19 HG22 VAL 19 -13.477 12.930 -5.089 144 HG23 VAL 19 HG23 VAL 19 -15.092 13.509 -5.497 145 H HIS 20 HN HIS 20 -12.570 16.194 -8.803 146 HA HIS 20 HA HIS 20 -11.846 14.792 -11.145 147 HB2 HIS 20 HB2 HIS 20 -12.157 17.737 -10.584 148 HB3 HIS 20 HB1 HIS 20 -11.897 17.074 -12.201 149 HD2 HIS 20 HD2 HIS 20 -14.818 17.777 -9.842 150 HE1 HIS 20 HE1 HIS 20 -16.267 15.000 -12.676 151 HE2 HIS 20 HE2 HIS 20 -16.934 16.596 -10.816 152 H CYS 21 HN CYS 21 -10.047 14.902 -12.458 153 HA CYS 21 HA CYS 21 -7.522 15.223 -11.155 154 HB2 CYS 21 HB2 CYS 21 -8.292 14.663 -14.017 155 HB3 CYS 21 HB1 CYS 21 -6.612 14.740 -13.478 156 H ASP 22 HN ASP 22 -5.817 16.684 -11.683 157 HA ASP 22 HA ASP 22 -6.676 19.380 -12.044 158 HB2 ASP 22 HB2 ASP 22 -3.968 18.050 -11.957 159 HB3 ASP 22 HB1 ASP 22 -4.191 19.791 -12.086 160 H LYS 23 HN LYS 23 -6.755 20.586 -13.688 161 HA LYS 23 HA LYS 23 -6.657 19.502 -16.309 162 HB2 LYS 23 HB2 LYS 23 -7.194 21.764 -16.966 163 HB3 LYS 23 HB1 LYS 23 -8.260 21.226 -15.680 164 HG2 LYS 23 HG2 LYS 23 -6.328 22.420 -14.175 165 HG3 LYS 23 HG1 LYS 23 -6.113 23.345 -15.656 166 HD2 LYS 23 HD2 LYS 23 -8.795 22.972 -14.303 167 HD3 LYS 23 HD1 LYS 23 -7.739 24.342 -13.971 168 HE2 LYS 23 HE2 LYS 23 -8.688 23.635 -16.765 169 HE3 LYS 23 HE1 LYS 23 -9.532 24.782 -15.726 170 HZ1 LYS 23 HZ1 LYS 23 -6.644 25.074 -16.291 171 HZ2 LYS 23 HZ2 LYS 23 -7.748 26.247 -15.760 172 HZ3 LYS 23 HZ3 LYS 23 -7.808 25.683 -17.359 173 H ALA 24 HN ALA 24 -4.460 21.241 -14.311 174 HA ALA 24 HA ALA 24 -2.561 21.725 -16.508 175 HB1 ALA 24 HB1 ALA 24 -2.769 22.739 -13.686 176 HB2 ALA 24 HB2 ALA 24 -2.726 23.661 -15.189 177 HB3 ALA 24 HB3 ALA 24 -1.263 22.875 -14.594 178 H HIS 25 HN HIS 25 -3.176 19.697 -13.776 179 HA HIS 25 HA HIS 25 -0.670 18.241 -14.288 180 HB2 HIS 25 HB2 HIS 25 -1.892 18.955 -11.616 181 HB3 HIS 25 HB1 HIS 25 -0.660 17.713 -11.802 182 HD2 HIS 25 HD2 HIS 25 1.941 18.725 -11.934 183 HE1 HIS 25 HE1 HIS 25 0.935 22.803 -12.345 184 HE2 HIS 25 HE2 HIS 25 2.853 21.166 -12.034 185 HA PRO 26 HA PRO 26 -4.593 15.511 -14.273 186 HB2 PRO 26 HB2 PRO 26 -4.767 14.883 -16.888 187 HB3 PRO 26 HB1 PRO 26 -5.501 16.353 -16.214 188 HG2 PRO 26 HG2 PRO 26 -2.916 16.034 -17.640 189 HG3 PRO 26 HG1 PRO 26 -4.196 17.238 -17.906 190 HD2 PRO 26 HD2 PRO 26 -1.989 17.827 -16.466 191 HD3 PRO 26 HD1 PRO 26 -3.581 18.504 -16.050 192 H ASN 27 HN ASN 27 -1.431 15.422 -15.727 193 HA ASN 27 HA ASN 27 -1.252 12.587 -16.149 194 HB2 ASN 27 HB2 ASN 27 1.092 13.001 -16.662 195 HB3 ASN 27 HB1 ASN 27 0.073 14.192 -17.465 196 HD21 ASN 27 HD21 ASN 27 2.883 14.640 -16.857 197 HD22 ASN 27 HD22 ASN 27 2.970 15.913 -15.738 198 H THR 28 HN THR 28 -0.911 14.559 -13.356 199 HA THR 28 HA THR 28 0.595 12.449 -11.927 200 HB THR 28 HB THR 28 0.995 14.144 -10.176 201 HG1 THR 28 HG1 THR 28 -0.884 15.379 -10.605 202 HG21 THR 28 HG21 THR 28 2.625 13.885 -11.996 203 HG22 THR 28 HG22 THR 28 2.531 15.567 -11.477 204 HG23 THR 28 HG23 THR 28 1.737 15.057 -12.968 205 H CYS 29 HN CYS 29 -2.533 13.519 -12.462 206 HA CYS 29 HA CYS 29 -3.752 13.351 -9.942 207 HB2 CYS 29 HB2 CYS 29 -4.880 14.379 -11.823 208 HB3 CYS 29 HB1 CYS 29 -4.812 12.866 -12.730 209 H LYS 30 HN LYS 30 -4.557 11.800 -8.794 210 HA LYS 30 HA LYS 30 -3.448 9.201 -9.026 211 HB2 LYS 30 HB2 LYS 30 -5.593 10.167 -7.133 212 HB3 LYS 30 HB1 LYS 30 -4.528 8.772 -6.939 213 HG2 LYS 30 HG2 LYS 30 -2.589 10.624 -7.232 214 HG3 LYS 30 HG1 LYS 30 -3.860 11.713 -6.685 215 HD2 LYS 30 HD2 LYS 30 -3.106 9.205 -5.278 216 HD3 LYS 30 HD1 LYS 30 -2.357 10.749 -4.885 217 HE2 LYS 30 HE2 LYS 30 -5.350 10.223 -4.783 218 HE3 LYS 30 HE1 LYS 30 -4.296 10.225 -3.368 219 HZ1 LYS 30 HZ1 LYS 30 -3.640 12.550 -4.276 220 HZ2 LYS 30 HZ2 LYS 30 -5.083 12.371 -3.396 221 HZ3 LYS 30 HZ3 LYS 30 -5.124 12.463 -5.091 222 H LYS 31 HN LYS 31 -4.481 7.223 -9.357 223 HA LYS 31 HA LYS 31 -6.926 7.388 -10.985 224 HB2 LYS 31 HB2 LYS 31 -4.867 5.192 -10.751 225 HB3 LYS 31 HB1 LYS 31 -6.270 5.152 -11.807 226 HG2 LYS 31 HG2 LYS 31 -4.176 7.341 -11.917 227 HG3 LYS 31 HG1 LYS 31 -4.106 5.898 -12.926 228 HD2 LYS 31 HD2 LYS 31 -6.370 6.471 -13.830 229 HD3 LYS 31 HD1 LYS 31 -6.330 7.970 -12.901 230 HE2 LYS 31 HE2 LYS 31 -4.263 7.183 -14.969 231 HE3 LYS 31 HE1 LYS 31 -5.606 8.284 -15.269 232 HZ1 LYS 31 HZ1 LYS 31 -4.663 9.475 -13.178 233 HZ2 LYS 31 HZ2 LYS 31 -3.942 9.728 -14.699 234 HZ3 LYS 31 HZ3 LYS 31 -3.231 8.662 -13.582 235 H LYS 32 HN LYS 32 -5.680 5.792 -8.139 236 HA LYS 32 HA LYS 32 -6.751 4.762 -6.381 237 HB2 LYS 32 HB2 LYS 32 -9.407 5.040 -7.824 238 HB3 LYS 32 HB1 LYS 32 -9.122 4.750 -6.112 239 HG2 LYS 32 HG2 LYS 32 -8.259 7.265 -7.571 240 HG3 LYS 32 HG1 LYS 32 -9.737 7.131 -6.629 241 HD2 LYS 32 HD2 LYS 32 -8.636 7.443 -4.663 242 HD3 LYS 32 HD1 LYS 32 -7.473 6.182 -5.010 243 HE2 LYS 32 HE2 LYS 32 -6.517 8.114 -6.660 244 HE3 LYS 32 HE1 LYS 32 -7.247 9.120 -5.404 245 HZ1 LYS 32 HZ1 LYS 32 -4.832 8.247 -5.121 246 HZ2 LYS 32 HZ2 LYS 32 -5.598 6.818 -4.621 247 HZ3 LYS 32 HZ3 LYS 32 -5.881 8.274 -3.794 248 H GLN 33 HN GLN 33 -7.940 2.715 -5.899 249 HA GLN 33 HA GLN 33 -8.291 0.846 -8.063 250 HB2 GLN 33 HB2 GLN 33 -6.516 -0.701 -7.415 251 HB3 GLN 33 HB1 GLN 33 -5.823 0.865 -7.832 252 HG2 GLN 33 HG2 GLN 33 -5.958 1.393 -5.313 253 HG3 GLN 33 HG1 GLN 33 -6.229 -0.328 -5.086 254 HE21 GLN 33 HE21 GLN 33 -4.384 -1.609 -4.924 255 HE22 GLN 33 HE22 GLN 33 -2.830 -1.134 -5.413 256 H ALA 34 HN ALA 34 -8.638 -1.417 -7.128 257 HA ALA 34 HA ALA 34 -9.856 -1.356 -4.454 258 HB1 ALA 34 HB1 ALA 34 -11.302 -2.544 -6.827 259 HB2 ALA 34 HB2 ALA 34 -11.619 -0.916 -6.224 260 HB3 ALA 34 HB3 ALA 34 -11.919 -2.314 -5.190 261 H ASN 35 HN ASN 35 -9.667 -3.239 -3.330 262 HA ASN 35 HA ASN 35 -7.812 -5.196 -4.318 263 HB2 ASN 35 HB2 ASN 35 -8.130 -6.280 -2.133 264 HB3 ASN 35 HB1 ASN 35 -7.749 -4.574 -1.984 265 HD21 ASN 35 HD21 ASN 35 -8.855 -4.275 0.058 266 HD22 ASN 35 HD22 ASN 35 -10.541 -4.411 0.207 267 HA PRO 36 HA PRO 36 -10.683 -8.213 -5.820 268 HB2 PRO 36 HB2 PRO 36 -9.277 -10.481 -5.705 269 HB3 PRO 36 HB1 PRO 36 -8.774 -9.136 -6.753 270 HG2 PRO 36 HG2 PRO 36 -7.697 -9.974 -4.116 271 HG3 PRO 36 HG1 PRO 36 -6.840 -9.378 -5.548 272 HD2 PRO 36 HD2 PRO 36 -7.488 -7.846 -3.331 273 HD3 PRO 36 HD1 PRO 36 -7.095 -7.178 -4.929 274 H TYR 37 HN TYR 37 -9.434 -8.587 -2.607 275 HA TYR 37 HA TYR 37 -11.138 -10.788 -1.832 276 HB2 TYR 37 HB2 TYR 37 -8.907 -10.454 -0.825 277 HB3 TYR 37 HB1 TYR 37 -9.441 -8.908 -0.171 278 HD1 TYR 37 HD1 TYR 37 -10.107 -12.584 -0.086 279 HD2 TYR 37 HD2 TYR 37 -10.651 -8.809 1.889 280 HE1 TYR 37 HE1 TYR 37 -11.028 -13.755 1.895 281 HE2 TYR 37 HE2 TYR 37 -11.570 -9.981 3.874 282 HH TYR 37 HH TYR 37 -11.175 -12.659 4.774 283 H ARG 38 HN ARG 38 -13.150 -10.671 -1.051 284 HA ARG 38 HA ARG 38 -14.124 -8.233 0.232 285 HB2 ARG 38 HB2 ARG 38 -14.681 -8.040 -2.196 286 HB3 ARG 38 HB1 ARG 38 -15.666 -9.497 -2.039 287 HG2 ARG 38 HG2 ARG 38 -16.952 -8.327 -0.211 288 HG3 ARG 38 HG1 ARG 38 -16.056 -6.857 -0.593 289 HD2 ARG 38 HD2 ARG 38 -17.770 -8.405 -2.557 290 HD3 ARG 38 HD1 ARG 38 -18.256 -6.924 -1.743 291 HE ARG 38 HE ARG 38 -16.338 -7.164 -3.938 292 HH11 ARG 38 HH11 ARG 38 -17.684 -5.092 -1.436 293 HH12 ARG 38 HH12 ARG 38 -17.158 -3.629 -2.197 294 HH21 ARG 38 HH21 ARG 38 -15.668 -5.227 -4.893 295 HH22 ARG 38 HH22 ARG 38 -16.020 -3.708 -4.139 296 H ARG 39 HN ARG 39 -15.496 -8.611 1.833 297 HA ARG 39 HA ARG 39 -17.088 -10.983 2.009 298 HB2 ARG 39 HB2 ARG 39 -14.754 -11.743 2.656 299 HB3 ARG 39 HB1 ARG 39 -14.929 -10.737 4.094 300 HG2 ARG 39 HG2 ARG 39 -15.657 -12.882 4.800 301 HG3 ARG 39 HG1 ARG 39 -17.149 -11.997 4.499 302 HD2 ARG 39 HD2 ARG 39 -15.976 -13.573 2.220 303 HD3 ARG 39 HD1 ARG 39 -16.762 -14.450 3.524 304 HE ARG 39 HE ARG 39 -18.512 -12.403 2.812 305 HH11 ARG 39 HH11 ARG 39 -17.083 -15.198 1.233 306 HH12 ARG 39 HH12 ARG 39 -18.421 -15.426 0.157 307 HH21 ARG 39 HH21 ARG 39 -20.236 -12.737 1.386 308 HH22 ARG 39 HH22 ARG 39 -20.192 -14.039 0.244 309 H GLY 40 HN GLY 40 -18.824 -10.641 3.260 310 HA2 GLY 40 HA2 GLY 40 -19.087 -8.097 4.654 311 HA3 GLY 40 HA1 GLY 40 -20.364 -9.280 4.376 312 H CYS 41 HN CYS 41 -20.516 -8.360 6.754 313 HA CYS 41 HA CYS 41 -18.851 -9.828 8.648 314 HB2 CYS 41 HB2 CYS 41 -19.391 -7.491 9.106 315 HB3 CYS 41 HB1 CYS 41 -21.112 -7.864 9.046 316 H GLY 42 HN GLY 42 -19.363 -11.871 9.116 317 HA2 GLY 42 HA2 GLY 42 -22.205 -12.600 9.505 318 HA3 GLY 42 HA1 GLY 42 -21.165 -13.601 8.502 319 H VAL 43 HN VAL 43 -19.883 -12.051 11.349 320 HA VAL 43 HA VAL 43 -18.902 -14.452 12.461 321 HB VAL 43 HB VAL 43 -18.367 -13.091 14.456 322 HG11 VAL 43 HG11 VAL 43 -16.996 -13.061 12.313 323 HG12 VAL 43 HG12 VAL 43 -16.782 -11.663 13.365 324 HG13 VAL 43 HG13 VAL 43 -17.793 -11.536 11.927 325 HG21 VAL 43 HG21 VAL 43 -18.984 -10.740 14.571 326 HG22 VAL 43 HG22 VAL 43 -20.462 -11.675 14.358 327 HG23 VAL 43 HG23 VAL 43 -19.754 -10.822 12.986 328 H LEU 44 HN LEU 44 -21.899 -12.724 12.949 329 HA LEU 44 HA LEU 44 -23.858 -13.257 13.998 330 HB2 LEU 44 HB2 LEU 44 -22.612 -16.014 14.128 331 HB3 LEU 44 HB1 LEU 44 -24.260 -15.652 14.630 332 HG LEU 44 HG LEU 44 -23.207 -14.969 11.874 333 HD11 LEU 44 HD11 LEU 44 -24.818 -17.395 12.722 334 HD12 LEU 44 HD12 LEU 44 -23.105 -17.425 12.306 335 HD13 LEU 44 HD13 LEU 44 -24.303 -17.004 11.083 336 HD21 LEU 44 HD21 LEU 44 -25.955 -15.115 13.160 337 HD22 LEU 44 HD22 LEU 44 -25.733 -15.052 11.411 338 HD23 LEU 44 HD23 LEU 44 -25.189 -13.712 12.415 339 H GLU 45 HN GLU 45 -20.975 -13.090 15.620 340 HA GLU 45 HA GLU 45 -21.678 -13.950 18.244 341 HB2 GLU 45 HB2 GLU 45 -19.618 -12.003 17.221 342 HB3 GLU 45 HB1 GLU 45 -19.764 -12.456 18.922 343 HG2 GLU 45 HG2 GLU 45 -19.437 -14.825 18.333 344 HG3 GLU 45 HG1 GLU 45 -19.301 -14.389 16.630 345 H GLY 46 HN GLY 46 -22.005 -10.958 16.464 346 HA2 GLY 46 HA2 GLY 46 -24.209 -9.866 17.515 347 HA3 GLY 46 HA1 GLY 46 -22.989 -9.421 18.719 348 H CYS 47 HN CYS 47 -22.921 -9.709 15.215 349 HA CYS 47 HA CYS 47 -21.207 -7.554 14.749 350 HB2 CYS 47 HB2 CYS 47 -21.725 -9.467 13.243 351 HB3 CYS 47 HB1 CYS 47 -23.260 -8.691 12.859 352 H HIS 48 HN HIS 48 -24.768 -7.749 14.487 353 HA HIS 48 HA HIS 48 -25.040 -4.964 15.189 354 HB2 HIS 48 HB2 HIS 48 -24.530 -5.025 12.668 355 HB3 HIS 48 HB1 HIS 48 -26.120 -5.762 12.484 356 HD2 HIS 48 HD2 HIS 48 -24.572 -2.262 12.989 357 HE1 HIS 48 HE1 HIS 48 -28.741 -1.816 13.454 358 HE2 HIS 48 HE2 HIS 48 -26.544 -0.570 13.205 359 H ARG 49 HN ARG 49 -26.728 -4.924 16.529 360 HA ARG 49 HA ARG 49 -28.553 -7.057 16.856 361 HB2 ARG 49 HB2 ARG 49 -27.921 -5.413 18.640 362 HB3 ARG 49 HB1 ARG 49 -28.906 -4.205 17.812 363 HG2 ARG 49 HG2 ARG 49 -30.886 -5.688 18.038 364 HG3 ARG 49 HG1 ARG 49 -29.898 -6.855 18.913 365 HD2 ARG 49 HD2 ARG 49 -31.073 -5.532 20.548 366 HD3 ARG 49 HD1 ARG 49 -29.379 -5.046 20.584 367 HE ARG 49 HE ARG 49 -30.791 -3.389 18.766 368 HH11 ARG 49 HH11 ARG 49 -30.504 -3.947 22.225 369 HH12 ARG 49 HH12 ARG 49 -30.941 -2.325 22.643 370 HH21 ARG 49 HH21 ARG 49 -31.358 -1.288 19.358 371 HH22 ARG 49 HH22 ARG 49 -31.422 -0.829 21.026 372 H GLU 50 HN GLU 50 -28.823 -3.961 15.174 373 HA GLU 50 HA GLU 50 -30.156 -3.290 13.442 374 HB2 GLU 50 HB2 GLU 50 -31.753 -5.872 13.701 375 HB3 GLU 50 HB1 GLU 50 -31.819 -4.710 12.388 376 HG2 GLU 50 HG2 GLU 50 -29.419 -5.138 11.898 377 HG3 GLU 50 HG1 GLU 50 -29.403 -6.370 13.158 378 H THR 51 HN THR 51 -32.606 -5.088 15.339 379 HA THR 51 HA THR 51 -33.446 -2.669 16.676 380 HB THR 51 HB THR 51 -34.539 -2.350 14.505 381 HG1 THR 51 HG1 THR 51 -35.639 -1.741 16.412 382 HG21 THR 51 HG21 THR 51 -36.041 -3.918 13.543 383 HG22 THR 51 HG22 THR 51 -36.099 -4.888 15.016 384 HG23 THR 51 HG23 THR 51 -34.637 -4.870 14.029 385 H GLY 52 HN GLY 52 -34.982 -3.001 18.341 386 HA2 GLY 52 HA2 GLY 52 -36.017 -5.654 18.869 387 HA3 GLY 52 HA1 GLY 52 -34.769 -5.128 19.996 388 HA PRO 53 HA PRO 53 -39.076 -3.047 20.903 389 HB2 PRO 53 HB2 PRO 53 -40.378 -4.814 22.475 390 HB3 PRO 53 HB1 PRO 53 -40.524 -4.834 20.703 391 HG2 PRO 53 HG2 PRO 53 -38.828 -6.538 22.473 392 HG3 PRO 53 HG1 PRO 53 -39.835 -7.008 21.090 393 HD2 PRO 53 HD2 PRO 53 -37.150 -6.689 20.864 394 HD3 PRO 53 HD1 PRO 53 -38.261 -6.324 19.522 395 H LYS 54 HN LYS 54 -39.483 -1.951 22.867 396 HA LYS 54 HA LYS 54 -37.855 -2.723 25.205 397 HB2 LYS 54 HB2 LYS 54 -38.113 0.090 24.098 398 HB3 LYS 54 HB1 LYS 54 -37.322 -0.336 25.616 399 HG2 LYS 54 HG2 LYS 54 -35.741 -1.780 24.367 400 HG3 LYS 54 HG1 LYS 54 -36.507 -1.302 22.854 401 HD2 LYS 54 HD2 LYS 54 -34.599 0.112 23.067 402 HD3 LYS 54 HD1 LYS 54 -35.974 1.117 23.517 403 HE2 LYS 54 HE2 LYS 54 -35.522 0.729 25.895 404 HE3 LYS 54 HE1 LYS 54 -34.199 -0.361 25.486 405 HZ1 LYS 54 HZ1 LYS 54 -34.239 2.423 24.505 406 HZ2 LYS 54 HZ2 LYS 54 -32.917 1.365 24.663 407 HZ3 LYS 54 HZ3 LYS 54 -33.633 2.048 26.044 408 HA PRO 55 HA PRO 55 -42.394 -1.941 26.313 409 HB2 PRO 55 HB2 PRO 55 -42.763 -4.179 27.801 410 HB3 PRO 55 HB1 PRO 55 -42.950 -4.158 26.032 411 HG2 PRO 55 HG2 PRO 55 -40.617 -5.034 27.674 412 HG3 PRO 55 HG1 PRO 55 -41.393 -5.844 26.302 413 HD2 PRO 55 HD2 PRO 55 -39.124 -4.430 25.973 414 HD3 PRO 55 HD1 PRO 55 -40.395 -4.442 24.725 415 H THR 56 HN THR 56 -39.538 -2.818 28.141 416 HA THR 56 HA THR 56 -40.330 -2.508 30.764 417 HB THR 56 HB THR 56 -37.683 -1.517 29.697 418 HG1 THR 56 HG1 THR 56 -38.665 -4.135 30.143 419 HG21 THR 56 HG21 THR 56 -38.400 -2.904 32.288 420 HG22 THR 56 HG22 THR 56 -38.274 -1.153 32.114 421 HG23 THR 56 HG23 THR 56 -36.854 -2.169 31.866 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 -17.692 -19.402 -33.445 2 H2 GLU 1 HT2 GLU 1 -18.542 -20.368 -32.335 3 H3 GLU 1 HT3 GLU 1 -17.319 -19.320 -31.794 4 HA GLU 1 HA GLU 1 -18.792 -17.496 -32.885 5 HB2 GLU 1 HB2 GLU 1 -20.770 -19.710 -32.239 6 HB3 GLU 1 HB1 GLU 1 -21.197 -18.058 -32.675 7 HG2 GLU 1 HG2 GLU 1 -19.646 -19.979 -34.448 8 HG3 GLU 1 HG1 GLU 1 -21.357 -19.608 -34.618 9 H ALA 2 HN ALA 2 -17.895 -16.465 -31.126 10 HA ALA 2 HA ALA 2 -19.116 -17.046 -28.488 11 HB1 ALA 2 HB1 ALA 2 -17.086 -16.558 -27.398 12 HB2 ALA 2 HB2 ALA 2 -16.394 -15.803 -28.834 13 HB3 ALA 2 HB3 ALA 2 -16.609 -17.553 -28.774 14 H SER 3 HN SER 3 -20.272 -15.455 -27.646 15 HA SER 3 HA SER 3 -19.707 -12.666 -28.448 16 HB2 SER 3 HB2 SER 3 -22.434 -13.957 -28.221 17 HB3 SER 3 HB1 SER 3 -22.146 -12.237 -28.460 18 HG SER 3 HG SER 3 -22.304 -14.104 -30.291 19 H VAL 4 HN VAL 4 -19.906 -11.132 -26.856 20 HA VAL 4 HA VAL 4 -20.838 -12.004 -24.201 21 HB VAL 4 HB VAL 4 -18.921 -10.870 -23.121 22 HG11 VAL 4 HG11 VAL 4 -17.197 -12.583 -23.812 23 HG12 VAL 4 HG12 VAL 4 -18.304 -13.087 -25.090 24 HG13 VAL 4 HG13 VAL 4 -18.774 -13.251 -23.398 25 HG21 VAL 4 HG21 VAL 4 -16.985 -10.185 -24.440 26 HG22 VAL 4 HG22 VAL 4 -18.403 -9.345 -25.067 27 HG23 VAL 4 HG23 VAL 4 -17.754 -10.741 -25.928 28 H ARG 5 HN ARG 5 -21.309 -10.242 -22.714 29 HA ARG 5 HA ARG 5 -22.807 -8.169 -23.987 30 HB2 ARG 5 HB2 ARG 5 -23.188 -9.384 -21.673 31 HB3 ARG 5 HB1 ARG 5 -22.135 -8.116 -21.057 32 HG2 ARG 5 HG2 ARG 5 -24.363 -7.279 -20.811 33 HG3 ARG 5 HG1 ARG 5 -23.693 -6.446 -22.214 34 HD2 ARG 5 HD2 ARG 5 -24.819 -8.091 -23.707 35 HD3 ARG 5 HD1 ARG 5 -25.511 -8.873 -22.290 36 HE ARG 5 HE ARG 5 -27.023 -7.101 -22.095 37 HH11 ARG 5 HH11 ARG 5 -24.570 -6.284 -24.474 38 HH12 ARG 5 HH12 ARG 5 -25.423 -4.890 -25.050 39 HH21 ARG 5 HH21 ARG 5 -28.105 -5.284 -22.883 40 HH22 ARG 5 HH22 ARG 5 -27.412 -4.331 -24.152 41 H TYR 6 HN TYR 6 -22.506 -5.872 -23.790 42 HA TYR 6 HA TYR 6 -19.925 -4.861 -22.910 43 HB2 TYR 6 HB2 TYR 6 -20.628 -5.283 -25.760 44 HB3 TYR 6 HB1 TYR 6 -20.061 -3.657 -25.408 45 HD1 TYR 6 HD1 TYR 6 -19.174 -7.270 -25.197 46 HD2 TYR 6 HD2 TYR 6 -17.752 -3.225 -24.919 47 HE1 TYR 6 HE1 TYR 6 -16.832 -8.093 -25.187 48 HE2 TYR 6 HE2 TYR 6 -15.412 -4.047 -24.910 49 HH TYR 6 HH TYR 6 -14.230 -6.227 -24.265 50 H ILE 7 HN ILE 7 -20.698 -3.396 -21.565 51 HA ILE 7 HA ILE 7 -22.688 -1.444 -22.578 52 HB ILE 7 HB ILE 7 -22.238 -2.293 -19.709 53 HG12 ILE 7 HG12 ILE 7 -24.735 -3.199 -20.144 54 HG13 ILE 7 HG11 ILE 7 -24.167 -3.278 -21.817 55 HG21 ILE 7 HG21 ILE 7 -24.238 -0.449 -21.046 56 HG22 ILE 7 HG22 ILE 7 -23.097 -0.051 -19.762 57 HG23 ILE 7 HG23 ILE 7 -24.481 -1.092 -19.421 58 HD11 ILE 7 HD11 ILE 7 -23.861 -5.343 -20.200 59 HD12 ILE 7 HD12 ILE 7 -22.449 -4.453 -19.635 60 HD13 ILE 7 HD13 ILE 7 -22.583 -4.910 -21.332 61 H THR 8 HN THR 8 -21.797 0.500 -22.922 62 HA THR 8 HA THR 8 -19.648 1.422 -21.111 63 HB THR 8 HB THR 8 -19.675 1.769 -24.129 64 HG1 THR 8 HG1 THR 8 -19.035 -0.270 -23.745 65 HG21 THR 8 HG21 THR 8 -18.626 3.616 -22.669 66 HG22 THR 8 HG22 THR 8 -17.585 2.886 -23.892 67 HG23 THR 8 HG23 THR 8 -17.430 2.405 -22.205 68 H TYR 9 HN TYR 9 -19.988 3.336 -20.242 69 HA TYR 9 HA TYR 9 -21.594 5.332 -21.651 70 HB2 TYR 9 HB2 TYR 9 -22.112 4.391 -18.832 71 HB3 TYR 9 HB1 TYR 9 -22.655 5.963 -19.416 72 HD1 TYR 9 HD1 TYR 9 -23.180 2.333 -19.578 73 HD2 TYR 9 HD2 TYR 9 -24.289 6.130 -21.257 74 HE1 TYR 9 HE1 TYR 9 -25.167 1.290 -20.640 75 HE2 TYR 9 HE2 TYR 9 -26.271 5.088 -22.315 76 HH TYR 9 HH TYR 9 -27.696 2.651 -21.533 77 HA PRO 10 HA PRO 10 -18.346 8.078 -20.391 78 HB2 PRO 10 HB2 PRO 10 -19.585 10.484 -20.243 79 HB3 PRO 10 HB1 PRO 10 -19.276 9.650 -21.784 80 HG2 PRO 10 HG2 PRO 10 -21.789 9.775 -20.180 81 HG3 PRO 10 HG1 PRO 10 -21.561 9.940 -21.932 82 HD2 PRO 10 HD2 PRO 10 -22.414 7.624 -20.803 83 HD3 PRO 10 HD1 PRO 10 -21.414 7.644 -22.273 84 H ALA 11 HN ALA 11 -21.155 7.732 -18.355 85 HA ALA 11 HA ALA 11 -21.520 7.998 -16.108 86 HB1 ALA 11 HB1 ALA 11 -18.564 8.236 -15.630 87 HB2 ALA 11 HB2 ALA 11 -19.242 6.699 -16.169 88 HB3 ALA 11 HB3 ALA 11 -19.790 7.423 -14.658 89 H ILE 12 HN ILE 12 -22.479 10.031 -16.413 90 HA ILE 12 HA ILE 12 -20.871 12.444 -16.336 91 HB ILE 12 HB ILE 12 -23.883 12.075 -16.305 92 HG12 ILE 12 HG12 ILE 12 -22.106 12.866 -18.646 93 HG13 ILE 12 HG11 ILE 12 -22.580 11.193 -18.344 94 HG21 ILE 12 HG21 ILE 12 -23.104 14.304 -15.455 95 HG22 ILE 12 HG22 ILE 12 -23.977 14.447 -16.981 96 HG23 ILE 12 HG23 ILE 12 -22.217 14.541 -16.961 97 HD11 ILE 12 HD11 ILE 12 -24.158 12.082 -19.932 98 HD12 ILE 12 HD12 ILE 12 -24.398 13.538 -18.968 99 HD13 ILE 12 HD13 ILE 12 -24.997 11.986 -18.384 100 H ASP 13 HN ASP 13 -19.904 12.601 -14.345 101 HA ASP 13 HA ASP 13 -19.645 12.946 -12.100 102 HB2 ASP 13 HB2 ASP 13 -22.233 14.443 -12.570 103 HB3 ASP 13 HB1 ASP 13 -21.136 14.665 -11.210 104 H ARG 14 HN ARG 14 -20.922 10.479 -12.741 105 HA ARG 14 HA ARG 14 -23.204 9.972 -11.144 106 HB2 ARG 14 HB2 ARG 14 -21.103 7.997 -12.077 107 HB3 ARG 14 HB1 ARG 14 -22.722 7.601 -11.499 108 HG2 ARG 14 HG2 ARG 14 -23.559 9.179 -13.400 109 HG3 ARG 14 HG1 ARG 14 -21.931 9.028 -14.042 110 HD2 ARG 14 HD2 ARG 14 -23.235 7.321 -15.109 111 HD3 ARG 14 HD1 ARG 14 -22.202 6.516 -13.932 112 HE ARG 14 HE ARG 14 -24.748 7.202 -12.803 113 HH11 ARG 14 HH11 ARG 14 -23.157 4.826 -14.847 114 HH12 ARG 14 HH12 ARG 14 -24.312 3.582 -14.506 115 HH21 ARG 14 HH21 ARG 14 -26.247 5.554 -12.408 116 HH22 ARG 14 HH22 ARG 14 -26.050 3.995 -13.137 117 H GLY 15 HN GLY 15 -23.444 9.038 -9.133 118 HA2 GLY 15 HA2 GLY 15 -22.698 8.086 -7.087 119 HA3 GLY 15 HA1 GLY 15 -21.063 8.626 -7.455 120 H ASP 16 HN ASP 16 -22.384 9.055 -4.971 121 HA ASP 16 HA ASP 16 -23.564 11.602 -4.717 122 HB2 ASP 16 HB2 ASP 16 -23.611 9.761 -2.997 123 HB3 ASP 16 HB1 ASP 16 -21.945 10.167 -2.603 124 H HIS 17 HN HIS 17 -20.181 10.548 -4.428 125 HA HIS 17 HA HIS 17 -19.339 13.363 -4.740 126 HB2 HIS 17 HB2 HIS 17 -18.223 11.370 -2.758 127 HB3 HIS 17 HB1 HIS 17 -17.457 12.908 -3.155 128 HD2 HIS 17 HD2 HIS 17 -18.615 15.149 -1.938 129 HE1 HIS 17 HE1 HIS 17 -21.831 13.135 -0.093 130 HE2 HIS 17 HE2 HIS 17 -20.618 15.356 -0.277 131 H ALA 18 HN ALA 18 -17.443 13.709 -5.885 132 HA ALA 18 HA ALA 18 -15.880 11.469 -6.875 133 HB1 ALA 18 HB1 ALA 18 -16.273 11.928 -9.231 134 HB2 ALA 18 HB2 ALA 18 -17.395 13.225 -8.818 135 HB3 ALA 18 HB3 ALA 18 -17.802 11.551 -8.438 136 H VAL 19 HN VAL 19 -13.906 12.095 -7.851 137 HA VAL 19 HA VAL 19 -13.209 14.958 -7.557 138 HB VAL 19 HB VAL 19 -11.420 12.572 -6.954 139 HG11 VAL 19 HG11 VAL 19 -9.903 14.427 -6.039 140 HG12 VAL 19 HG12 VAL 19 -10.929 15.563 -6.915 141 HG13 VAL 19 HG13 VAL 19 -10.028 14.330 -7.797 142 HG21 VAL 19 HG21 VAL 19 -11.546 13.323 -4.625 143 HG22 VAL 19 HG22 VAL 19 -13.176 13.023 -5.230 144 HG23 VAL 19 HG23 VAL 19 -12.578 14.676 -5.091 145 H HIS 20 HN HIS 20 -12.396 15.897 -9.310 146 HA HIS 20 HA HIS 20 -11.823 14.239 -11.670 147 HB2 HIS 20 HB2 HIS 20 -12.418 17.189 -11.367 148 HB3 HIS 20 HB1 HIS 20 -12.008 16.415 -12.899 149 HD2 HIS 20 HD2 HIS 20 -14.113 14.996 -14.093 150 HE1 HIS 20 HE1 HIS 20 -16.910 15.476 -10.967 151 HE2 HIS 20 HE2 HIS 20 -16.588 14.640 -13.341 152 H CYS 21 HN CYS 21 -9.916 14.414 -12.833 153 HA CYS 21 HA CYS 21 -7.563 14.961 -11.351 154 HB2 CYS 21 HB2 CYS 21 -8.083 14.299 -14.231 155 HB3 CYS 21 HB1 CYS 21 -6.460 14.703 -13.671 156 H ASP 22 HN ASP 22 -5.877 16.482 -11.815 157 HA ASP 22 HA ASP 22 -6.874 19.128 -12.031 158 HB2 ASP 22 HB2 ASP 22 -4.114 17.939 -11.850 159 HB3 ASP 22 HB1 ASP 22 -4.390 19.672 -11.949 160 H LYS 23 HN LYS 23 -6.775 20.572 -13.676 161 HA LYS 23 HA LYS 23 -6.455 19.600 -16.359 162 HB2 LYS 23 HB2 LYS 23 -6.960 22.347 -15.204 163 HB3 LYS 23 HB1 LYS 23 -6.698 22.091 -16.924 164 HG2 LYS 23 HG2 LYS 23 -9.008 21.887 -16.870 165 HG3 LYS 23 HG1 LYS 23 -8.576 20.202 -16.612 166 HD2 LYS 23 HD2 LYS 23 -8.662 20.717 -14.099 167 HD3 LYS 23 HD1 LYS 23 -9.428 22.242 -14.541 168 HE2 LYS 23 HE2 LYS 23 -10.450 19.497 -15.332 169 HE3 LYS 23 HE1 LYS 23 -11.097 20.474 -14.017 170 HZ1 LYS 23 HZ1 LYS 23 -11.502 22.248 -15.697 171 HZ2 LYS 23 HZ2 LYS 23 -12.436 20.845 -15.919 172 HZ3 LYS 23 HZ3 LYS 23 -11.085 21.136 -16.907 173 H ALA 24 HN ALA 24 -4.392 21.115 -14.043 174 HA ALA 24 HA ALA 24 -2.326 21.755 -16.023 175 HB1 ALA 24 HB1 ALA 24 -2.080 22.181 -13.057 176 HB2 ALA 24 HB2 ALA 24 -2.998 23.302 -14.064 177 HB3 ALA 24 HB3 ALA 24 -1.279 23.047 -14.369 178 H HIS 25 HN HIS 25 -3.116 19.490 -13.489 179 HA HIS 25 HA HIS 25 -0.679 17.959 -14.126 180 HB2 HIS 25 HB2 HIS 25 -1.929 18.397 -11.400 181 HB3 HIS 25 HB1 HIS 25 -0.695 17.185 -11.725 182 HD2 HIS 25 HD2 HIS 25 1.914 18.200 -11.784 183 HE1 HIS 25 HE1 HIS 25 0.910 22.297 -11.599 184 HE2 HIS 25 HE2 HIS 25 2.830 20.632 -11.565 185 HA PRO 26 HA PRO 26 -4.739 15.469 -14.514 186 HB2 PRO 26 HB2 PRO 26 -4.763 15.045 -17.183 187 HB3 PRO 26 HB1 PRO 26 -5.475 16.493 -16.439 188 HG2 PRO 26 HG2 PRO 26 -2.815 16.164 -17.729 189 HG3 PRO 26 HG1 PRO 26 -4.018 17.449 -17.954 190 HD2 PRO 26 HD2 PRO 26 -1.882 17.798 -16.338 191 HD3 PRO 26 HD1 PRO 26 -3.467 18.512 -15.958 192 H ASN 27 HN ASN 27 -1.545 15.242 -15.916 193 HA ASN 27 HA ASN 27 -1.612 12.360 -16.268 194 HB2 ASN 27 HB2 ASN 27 0.688 12.566 -17.009 195 HB3 ASN 27 HB1 ASN 27 -0.291 13.811 -17.779 196 HD21 ASN 27 HD21 ASN 27 2.562 14.082 -17.489 197 HD22 ASN 27 HD22 ASN 27 2.869 15.362 -16.417 198 H THR 28 HN THR 28 -0.902 14.505 -13.680 199 HA THR 28 HA THR 28 0.266 12.277 -12.127 200 HB THR 28 HB THR 28 1.535 13.954 -10.812 201 HG1 THR 28 HG1 THR 28 1.035 15.952 -11.083 202 HG21 THR 28 HG21 THR 28 2.030 13.952 -13.800 203 HG22 THR 28 HG22 THR 28 2.650 12.783 -12.633 204 HG23 THR 28 HG23 THR 28 3.206 14.457 -12.586 205 H CYS 29 HN CYS 29 -2.544 13.502 -12.516 206 HA CYS 29 HA CYS 29 -3.362 14.696 -10.068 207 HB2 CYS 29 HB2 CYS 29 -5.596 14.394 -10.900 208 HB3 CYS 29 HB1 CYS 29 -4.576 14.802 -12.267 209 H LYS 30 HN LYS 30 -4.732 13.762 -8.442 210 HA LYS 30 HA LYS 30 -5.308 12.233 -6.876 211 HB2 LYS 30 HB2 LYS 30 -4.799 10.080 -8.964 212 HB3 LYS 30 HB1 LYS 30 -5.820 9.955 -7.534 213 HG2 LYS 30 HG2 LYS 30 -6.476 12.153 -9.496 214 HG3 LYS 30 HG1 LYS 30 -6.830 10.508 -9.966 215 HD2 LYS 30 HD2 LYS 30 -8.634 11.923 -8.788 216 HD3 LYS 30 HD1 LYS 30 -8.481 10.238 -8.288 217 HE2 LYS 30 HE2 LYS 30 -7.069 11.144 -6.327 218 HE3 LYS 30 HE1 LYS 30 -7.541 12.761 -6.846 219 HZ1 LYS 30 HZ1 LYS 30 -9.552 12.510 -5.953 220 HZ2 LYS 30 HZ2 LYS 30 -8.928 11.154 -5.150 221 HZ3 LYS 30 HZ3 LYS 30 -9.772 10.963 -6.609 222 H LYS 31 HN LYS 31 -4.361 9.773 -6.130 223 HA LYS 31 HA LYS 31 -1.455 10.211 -5.701 224 HB2 LYS 31 HB2 LYS 31 -3.442 8.933 -3.812 225 HB3 LYS 31 HB1 LYS 31 -1.719 9.133 -3.523 226 HG2 LYS 31 HG2 LYS 31 -3.572 11.456 -4.057 227 HG3 LYS 31 HG1 LYS 31 -3.185 10.893 -2.433 228 HD2 LYS 31 HD2 LYS 31 -0.766 11.271 -2.914 229 HD3 LYS 31 HD1 LYS 31 -1.203 11.914 -4.499 230 HE2 LYS 31 HE2 LYS 31 -2.552 13.666 -3.420 231 HE3 LYS 31 HE1 LYS 31 -2.113 13.032 -1.834 232 HZ1 LYS 31 HZ1 LYS 31 0.178 13.516 -2.264 233 HZ2 LYS 31 HZ2 LYS 31 -0.729 14.925 -2.545 234 HZ3 LYS 31 HZ3 LYS 31 -0.160 14.000 -3.852 235 H LYS 32 HN LYS 32 -0.117 8.454 -5.632 236 HA LYS 32 HA LYS 32 0.715 6.393 -6.145 237 HB2 LYS 32 HB2 LYS 32 -2.069 5.194 -6.114 238 HB3 LYS 32 HB1 LYS 32 -0.540 4.444 -5.678 239 HG2 LYS 32 HG2 LYS 32 -1.905 6.648 -4.082 240 HG3 LYS 32 HG1 LYS 32 -1.946 4.940 -3.676 241 HD2 LYS 32 HD2 LYS 32 0.415 4.883 -3.251 242 HD3 LYS 32 HD1 LYS 32 0.647 6.486 -3.955 243 HE2 LYS 32 HE2 LYS 32 -0.733 7.473 -2.202 244 HE3 LYS 32 HE1 LYS 32 -0.969 5.882 -1.463 245 HZ1 LYS 32 HZ1 LYS 32 1.555 7.416 -1.729 246 HZ2 LYS 32 HZ2 LYS 32 1.529 5.764 -1.332 247 HZ3 LYS 32 HZ3 LYS 32 0.796 6.903 -0.304 248 H GLN 33 HN GLN 33 0.259 4.449 -7.778 249 HA GLN 33 HA GLN 33 -1.078 5.298 -10.182 250 HB2 GLN 33 HB2 GLN 33 0.865 5.495 -11.595 251 HB3 GLN 33 HB1 GLN 33 1.105 6.539 -10.188 252 HG2 GLN 33 HG2 GLN 33 2.336 4.475 -9.161 253 HG3 GLN 33 HG1 GLN 33 2.414 3.896 -10.814 254 HE21 GLN 33 HE21 GLN 33 4.166 4.605 -12.025 255 HE22 GLN 33 HE22 GLN 33 5.105 5.971 -11.667 256 H ALA 34 HN ALA 34 -0.706 3.685 -11.976 257 HA ALA 34 HA ALA 34 -0.796 0.993 -10.828 258 HB1 ALA 34 HB1 ALA 34 -1.618 1.934 -13.584 259 HB2 ALA 34 HB2 ALA 34 -2.708 1.723 -12.215 260 HB3 ALA 34 HB3 ALA 34 -1.888 0.326 -12.910 261 H ASN 35 HN ASN 35 0.052 -0.783 -12.304 262 HA ASN 35 HA ASN 35 2.852 -0.426 -12.621 263 HB2 ASN 35 HB2 ASN 35 1.017 -2.640 -13.549 264 HB3 ASN 35 HB1 ASN 35 2.771 -2.697 -13.652 265 HD21 ASN 35 HD21 ASN 35 3.104 -4.370 -12.080 266 HD22 ASN 35 HD22 ASN 35 2.727 -4.171 -10.438 267 HA PRO 36 HA PRO 36 3.107 1.183 -16.725 268 HB2 PRO 36 HB2 PRO 36 5.495 0.323 -17.586 269 HB3 PRO 36 HB1 PRO 36 5.348 1.482 -16.246 270 HG2 PRO 36 HG2 PRO 36 5.795 -1.460 -16.146 271 HG3 PRO 36 HG1 PRO 36 6.595 -0.171 -15.234 272 HD2 PRO 36 HD2 PRO 36 4.596 -1.662 -14.175 273 HD3 PRO 36 HD1 PRO 36 4.878 0.029 -13.718 274 H TYR 37 HN TYR 37 3.325 -2.241 -16.273 275 HA TYR 37 HA TYR 37 2.940 -2.760 -19.134 276 HB2 TYR 37 HB2 TYR 37 4.881 -3.775 -17.989 277 HB3 TYR 37 HB1 TYR 37 3.782 -4.618 -16.909 278 HD1 TYR 37 HD1 TYR 37 4.515 -4.142 -20.553 279 HD2 TYR 37 HD2 TYR 37 2.922 -6.745 -17.528 280 HE1 TYR 37 HE1 TYR 37 4.262 -5.946 -22.236 281 HE2 TYR 37 HE2 TYR 37 2.668 -8.545 -19.211 282 HH TYR 37 HH TYR 37 2.505 -8.851 -21.569 283 H ARG 38 HN ARG 38 1.951 -5.280 -16.885 284 HA ARG 38 HA ARG 38 -0.783 -4.705 -16.546 285 HB2 ARG 38 HB2 ARG 38 -0.724 -4.879 -19.100 286 HB3 ARG 38 HB1 ARG 38 -0.266 -6.567 -18.874 287 HG2 ARG 38 HG2 ARG 38 -2.320 -7.089 -17.792 288 HG3 ARG 38 HG1 ARG 38 -2.754 -5.386 -17.624 289 HD2 ARG 38 HD2 ARG 38 -2.401 -6.799 -20.280 290 HD3 ARG 38 HD1 ARG 38 -3.956 -6.579 -19.486 291 HE ARG 38 HE ARG 38 -2.721 -4.057 -19.667 292 HH11 ARG 38 HH11 ARG 38 -4.036 -6.482 -21.844 293 HH12 ARG 38 HH12 ARG 38 -4.471 -5.328 -23.062 294 HH21 ARG 38 HH21 ARG 38 -3.323 -2.583 -21.272 295 HH22 ARG 38 HH22 ARG 38 -4.069 -3.132 -22.736 296 H ARG 39 HN ARG 39 -2.000 -6.623 -15.843 297 HA ARG 39 HA ARG 39 -0.231 -8.757 -14.847 298 HB2 ARG 39 HB2 ARG 39 -1.288 -7.267 -13.090 299 HB3 ARG 39 HB1 ARG 39 -2.854 -7.875 -13.631 300 HG2 ARG 39 HG2 ARG 39 -2.124 -10.192 -13.171 301 HG3 ARG 39 HG1 ARG 39 -0.576 -9.585 -12.586 302 HD2 ARG 39 HD2 ARG 39 -1.952 -9.961 -10.655 303 HD3 ARG 39 HD1 ARG 39 -1.861 -8.219 -10.891 304 HE ARG 39 HE ARG 39 -4.129 -9.178 -12.267 305 HH11 ARG 39 HH11 ARG 39 -3.014 -8.815 -8.955 306 HH12 ARG 39 HH12 ARG 39 -4.611 -8.645 -8.306 307 HH21 ARG 39 HH21 ARG 39 -6.199 -8.944 -11.376 308 HH22 ARG 39 HH22 ARG 39 -6.401 -8.718 -9.673 309 H GLY 40 HN GLY 40 -0.618 -10.680 -15.716 310 HA2 GLY 40 HA2 GLY 40 -2.617 -10.984 -17.668 311 HA3 GLY 40 HA1 GLY 40 -1.566 -12.279 -17.084 312 H CYS 41 HN CYS 41 -4.371 -12.411 -17.773 313 HA CYS 41 HA CYS 41 -5.967 -12.539 -15.390 314 HB2 CYS 41 HB2 CYS 41 -7.661 -13.521 -16.870 315 HB3 CYS 41 HB1 CYS 41 -6.957 -12.072 -17.587 316 H GLY 42 HN GLY 42 -6.992 -14.501 -14.587 317 HA2 GLY 42 HA2 GLY 42 -5.628 -17.034 -15.150 318 HA3 GLY 42 HA1 GLY 42 -5.541 -16.436 -13.499 319 H VAL 43 HN VAL 43 -8.490 -15.520 -14.897 320 HA VAL 43 HA VAL 43 -10.031 -17.211 -13.210 321 HB VAL 43 HB VAL 43 -11.989 -16.280 -14.408 322 HG11 VAL 43 HG11 VAL 43 -10.896 -15.041 -12.558 323 HG12 VAL 43 HG12 VAL 43 -11.629 -13.957 -13.740 324 HG13 VAL 43 HG13 VAL 43 -9.881 -14.209 -13.737 325 HG21 VAL 43 HG21 VAL 43 -11.611 -14.574 -16.173 326 HG22 VAL 43 HG22 VAL 43 -11.001 -16.150 -16.679 327 HG23 VAL 43 HG23 VAL 43 -9.880 -14.910 -16.121 328 H LEU 44 HN LEU 44 -8.999 -17.434 -16.540 329 HA LEU 44 HA LEU 44 -9.062 -19.114 -18.089 330 HB2 LEU 44 HB2 LEU 44 -9.714 -20.805 -15.667 331 HB3 LEU 44 HB1 LEU 44 -9.301 -21.446 -17.255 332 HG LEU 44 HG LEU 44 -7.497 -19.551 -15.712 333 HD11 LEU 44 HD11 LEU 44 -7.479 -22.581 -15.865 334 HD12 LEU 44 HD12 LEU 44 -7.739 -21.604 -14.420 335 HD13 LEU 44 HD13 LEU 44 -6.162 -21.609 -15.212 336 HD21 LEU 44 HD21 LEU 44 -5.781 -20.559 -17.296 337 HD22 LEU 44 HD22 LEU 44 -7.010 -19.581 -18.095 338 HD23 LEU 44 HD23 LEU 44 -7.116 -21.341 -18.142 339 H GLU 45 HN GLU 45 -11.807 -17.912 -16.773 340 HA GLU 45 HA GLU 45 -13.828 -19.745 -17.592 341 HB2 GLU 45 HB2 GLU 45 -13.865 -16.765 -17.127 342 HB3 GLU 45 HB1 GLU 45 -15.307 -17.697 -17.529 343 HG2 GLU 45 HG2 GLU 45 -15.057 -19.068 -15.544 344 HG3 GLU 45 HG1 GLU 45 -13.499 -18.334 -15.180 345 H GLY 46 HN GLY 46 -12.121 -17.133 -19.172 346 HA2 GLY 46 HA2 GLY 46 -12.254 -18.044 -21.756 347 HA3 GLY 46 HA1 GLY 46 -13.690 -17.031 -21.556 348 H CYS 47 HN CYS 47 -10.188 -17.072 -21.083 349 HA CYS 47 HA CYS 47 -10.110 -14.146 -21.518 350 HB2 CYS 47 HB2 CYS 47 -9.449 -14.856 -19.264 351 HB3 CYS 47 HB1 CYS 47 -8.222 -15.917 -19.957 352 H HIS 48 HN HIS 48 -9.295 -13.583 -23.414 353 HA HIS 48 HA HIS 48 -7.077 -15.141 -24.572 354 HB2 HIS 48 HB2 HIS 48 -9.455 -15.565 -25.599 355 HB3 HIS 48 HB1 HIS 48 -9.214 -13.990 -26.345 356 HD2 HIS 48 HD2 HIS 48 -6.012 -14.337 -27.181 357 HE1 HIS 48 HE1 HIS 48 -7.329 -17.778 -29.243 358 HE2 HIS 48 HE2 HIS 48 -5.434 -16.099 -29.019 359 H ARG 49 HN ARG 49 -8.999 -12.221 -25.169 360 HA ARG 49 HA ARG 49 -6.559 -10.596 -25.136 361 HB2 ARG 49 HB2 ARG 49 -6.863 -11.291 -27.479 362 HB3 ARG 49 HB1 ARG 49 -8.517 -10.693 -27.449 363 HG2 ARG 49 HG2 ARG 49 -7.728 -8.416 -27.099 364 HG3 ARG 49 HG1 ARG 49 -6.060 -8.971 -26.957 365 HD2 ARG 49 HD2 ARG 49 -7.768 -9.344 -29.435 366 HD3 ARG 49 HD1 ARG 49 -6.609 -8.037 -29.225 367 HE ARG 49 HE ARG 49 -5.247 -10.442 -28.740 368 HH11 ARG 49 HH11 ARG 49 -6.851 -8.863 -31.440 369 HH12 ARG 49 HH12 ARG 49 -5.856 -9.625 -32.635 370 HH21 ARG 49 HH21 ARG 49 -3.967 -11.411 -30.333 371 HH22 ARG 49 HH22 ARG 49 -4.231 -11.060 -32.009 372 H GLU 50 HN GLU 50 -6.851 -8.807 -24.067 373 HA GLU 50 HA GLU 50 -9.277 -8.173 -22.760 374 HB2 GLU 50 HB2 GLU 50 -6.689 -6.667 -23.106 375 HB3 GLU 50 HB1 GLU 50 -8.021 -6.089 -22.109 376 HG2 GLU 50 HG2 GLU 50 -6.532 -7.252 -20.653 377 HG3 GLU 50 HG1 GLU 50 -7.927 -8.301 -20.860 378 H THR 51 HN THR 51 -7.516 -6.666 -25.453 379 HA THR 51 HA THR 51 -10.010 -5.455 -26.354 380 HB THR 51 HB THR 51 -8.869 -3.294 -26.763 381 HG1 THR 51 HG1 THR 51 -6.742 -4.210 -26.795 382 HG21 THR 51 HG21 THR 51 -8.720 -2.584 -24.373 383 HG22 THR 51 HG22 THR 51 -8.817 -4.279 -23.899 384 HG23 THR 51 HG23 THR 51 -10.175 -3.517 -24.727 385 H GLY 52 HN GLY 52 -10.049 -4.970 -28.606 386 HA2 GLY 52 HA2 GLY 52 -8.159 -4.900 -30.469 387 HA3 GLY 52 HA1 GLY 52 -8.259 -6.629 -30.173 388 HA PRO 53 HA PRO 53 -11.636 -5.467 -33.255 389 HB2 PRO 53 HB2 PRO 53 -10.946 -7.115 -35.287 390 HB3 PRO 53 HB1 PRO 53 -10.215 -5.505 -35.089 391 HG2 PRO 53 HG2 PRO 53 -9.132 -8.171 -34.295 392 HG3 PRO 53 HG1 PRO 53 -8.318 -6.829 -35.124 393 HD2 PRO 53 HD2 PRO 53 -8.014 -7.253 -32.462 394 HD3 PRO 53 HD1 PRO 53 -8.002 -5.617 -33.166 395 H LYS 54 HN LYS 54 -13.395 -6.901 -33.999 396 HA LYS 54 HA LYS 54 -13.413 -9.557 -32.696 397 HB2 LYS 54 HB2 LYS 54 -14.745 -7.795 -31.465 398 HB3 LYS 54 HB1 LYS 54 -15.796 -7.716 -32.879 399 HG2 LYS 54 HG2 LYS 54 -15.910 -10.357 -32.571 400 HG3 LYS 54 HG1 LYS 54 -15.380 -9.986 -30.935 401 HD2 LYS 54 HD2 LYS 54 -17.738 -9.981 -30.776 402 HD3 LYS 54 HD1 LYS 54 -17.321 -8.269 -30.884 403 HE2 LYS 54 HE2 LYS 54 -17.656 -8.446 -33.380 404 HE3 LYS 54 HE1 LYS 54 -18.299 -10.062 -33.118 405 HZ1 LYS 54 HZ1 LYS 54 -20.064 -8.384 -33.202 406 HZ2 LYS 54 HZ2 LYS 54 -19.380 -7.594 -31.862 407 HZ3 LYS 54 HZ3 LYS 54 -20.008 -9.164 -31.698 408 HA PRO 55 HA PRO 55 -14.461 -9.913 -37.283 409 HB2 PRO 55 HB2 PRO 55 -12.867 -12.042 -37.822 410 HB3 PRO 55 HB1 PRO 55 -12.270 -10.366 -37.850 411 HG2 PRO 55 HG2 PRO 55 -12.054 -12.415 -35.692 412 HG3 PRO 55 HG1 PRO 55 -10.808 -11.339 -36.353 413 HD2 PRO 55 HD2 PRO 55 -12.060 -10.752 -34.038 414 HD3 PRO 55 HD1 PRO 55 -11.593 -9.477 -35.192 415 H THR 56 HN THR 56 -14.299 -12.165 -34.607 416 HA THR 56 HA THR 56 -15.494 -14.441 -35.623 417 HB THR 56 HB THR 56 -16.081 -13.392 -32.855 418 HG1 THR 56 HG1 THR 56 -13.763 -14.786 -33.678 419 HG21 THR 56 HG21 THR 56 -15.764 -15.866 -32.362 420 HG22 THR 56 HG22 THR 56 -15.754 -16.124 -34.105 421 HG23 THR 56 HG23 THR 56 -17.186 -15.459 -33.321 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 -41.705 -0.114 12.298 2 H2 GLU 1 HT2 GLU 1 -41.983 0.578 10.771 3 H3 GLU 1 HT3 GLU 1 -41.208 1.476 11.988 4 HA GLU 1 HA GLU 1 -39.899 0.237 10.048 5 HB2 GLU 1 HB2 GLU 1 -37.911 0.298 11.572 6 HB3 GLU 1 HB1 GLU 1 -38.862 1.778 11.643 7 HG2 GLU 1 HG2 GLU 1 -40.017 0.873 13.683 8 HG3 GLU 1 HG1 GLU 1 -38.927 -0.510 13.641 9 H ALA 2 HN ALA 2 -39.365 -1.753 9.394 10 HA ALA 2 HA ALA 2 -39.291 -3.955 11.328 11 HB1 ALA 2 HB1 ALA 2 -41.411 -4.482 10.646 12 HB2 ALA 2 HB2 ALA 2 -40.522 -5.277 9.346 13 HB3 ALA 2 HB3 ALA 2 -41.224 -3.680 9.085 14 H SER 3 HN SER 3 -39.189 -3.793 7.741 15 HA SER 3 HA SER 3 -36.336 -4.264 7.677 16 HB2 SER 3 HB2 SER 3 -37.126 -6.535 8.140 17 HB3 SER 3 HB1 SER 3 -38.227 -6.442 6.770 18 HG SER 3 HG SER 3 -35.387 -6.254 6.713 19 H VAL 4 HN VAL 4 -35.418 -3.931 5.658 20 HA VAL 4 HA VAL 4 -37.190 -3.409 3.385 21 HB VAL 4 HB VAL 4 -36.871 -1.223 4.493 22 HG11 VAL 4 HG11 VAL 4 -34.664 -1.734 5.523 23 HG12 VAL 4 HG12 VAL 4 -34.669 -0.198 4.658 24 HG13 VAL 4 HG13 VAL 4 -33.920 -1.619 3.929 25 HG21 VAL 4 HG21 VAL 4 -37.075 -1.323 2.019 26 HG22 VAL 4 HG22 VAL 4 -35.323 -1.463 1.885 27 HG23 VAL 4 HG23 VAL 4 -36.042 0.016 2.522 28 H ARG 5 HN ARG 5 -36.355 -4.028 1.452 29 HA ARG 5 HA ARG 5 -33.825 -5.472 1.490 30 HB2 ARG 5 HB2 ARG 5 -35.938 -5.200 -0.660 31 HB3 ARG 5 HB1 ARG 5 -34.504 -6.218 -0.782 32 HG2 ARG 5 HG2 ARG 5 -35.208 -7.564 1.096 33 HG3 ARG 5 HG1 ARG 5 -36.539 -6.462 1.449 34 HD2 ARG 5 HD2 ARG 5 -36.259 -8.030 -1.129 35 HD3 ARG 5 HD1 ARG 5 -37.270 -8.518 0.228 36 HE ARG 5 HE ARG 5 -37.989 -5.890 -0.457 37 HH11 ARG 5 HH11 ARG 5 -38.108 -9.083 -1.918 38 HH12 ARG 5 HH12 ARG 5 -39.500 -8.722 -2.883 39 HH21 ARG 5 HH21 ARG 5 -39.803 -5.462 -1.733 40 HH22 ARG 5 HH22 ARG 5 -40.452 -6.684 -2.778 41 H TYR 6 HN TYR 6 -32.009 -4.992 0.345 42 HA TYR 6 HA TYR 6 -31.975 -2.737 -1.506 43 HB2 TYR 6 HB2 TYR 6 -31.526 -1.735 0.740 44 HB3 TYR 6 HB1 TYR 6 -30.156 -2.825 0.927 45 HD1 TYR 6 HD1 TYR 6 -31.526 -0.062 -1.170 46 HD2 TYR 6 HD2 TYR 6 -28.046 -2.345 -0.102 47 HE1 TYR 6 HE1 TYR 6 -30.093 1.530 -2.423 48 HE2 TYR 6 HE2 TYR 6 -26.617 -0.753 -1.354 49 HH TYR 6 HH TYR 6 -27.600 1.217 -3.603 50 H ILE 7 HN ILE 7 -30.639 -3.159 -3.181 51 HA ILE 7 HA ILE 7 -28.529 -5.183 -2.837 52 HB ILE 7 HB ILE 7 -30.520 -6.290 -3.792 53 HG12 ILE 7 HG12 ILE 7 -28.447 -6.000 -5.986 54 HG13 ILE 7 HG11 ILE 7 -28.091 -6.851 -4.477 55 HG21 ILE 7 HG21 ILE 7 -31.297 -5.676 -6.059 56 HG22 ILE 7 HG22 ILE 7 -30.190 -4.304 -6.061 57 HG23 ILE 7 HG23 ILE 7 -31.528 -4.354 -4.914 58 HD11 ILE 7 HD11 ILE 7 -30.283 -7.533 -6.463 59 HD12 ILE 7 HD12 ILE 7 -30.078 -8.317 -4.897 60 HD13 ILE 7 HD13 ILE 7 -28.830 -8.476 -6.133 61 H THR 8 HN THR 8 -26.674 -4.878 -4.014 62 HA THR 8 HA THR 8 -26.544 -2.796 -6.050 63 HB THR 8 HB THR 8 -26.151 -1.544 -3.976 64 HG1 THR 8 HG1 THR 8 -24.981 -0.872 -5.734 65 HG21 THR 8 HG21 THR 8 -23.744 -3.327 -3.528 66 HG22 THR 8 HG22 THR 8 -25.277 -3.544 -2.686 67 HG23 THR 8 HG23 THR 8 -24.354 -2.058 -2.464 68 H TYR 9 HN TYR 9 -24.673 -2.899 -7.378 69 HA TYR 9 HA TYR 9 -23.676 -5.543 -7.769 70 HB2 TYR 9 HB2 TYR 9 -22.897 -2.907 -9.014 71 HB3 TYR 9 HB1 TYR 9 -22.260 -4.466 -9.533 72 HD1 TYR 9 HD1 TYR 9 -25.293 -2.367 -9.303 73 HD2 TYR 9 HD2 TYR 9 -23.628 -6.058 -10.734 74 HE1 TYR 9 HE1 TYR 9 -27.311 -2.738 -10.691 75 HE2 TYR 9 HE2 TYR 9 -25.647 -6.429 -12.124 76 HH TYR 9 HH TYR 9 -28.501 -4.555 -11.754 77 HA PRO 10 HA PRO 10 -20.030 -5.404 -5.189 78 HB2 PRO 10 HB2 PRO 10 -18.378 -7.164 -6.402 79 HB3 PRO 10 HB1 PRO 10 -19.854 -7.678 -5.556 80 HG2 PRO 10 HG2 PRO 10 -19.392 -7.287 -8.478 81 HG3 PRO 10 HG1 PRO 10 -20.236 -8.602 -7.637 82 HD2 PRO 10 HD2 PRO 10 -21.568 -6.545 -8.829 83 HD3 PRO 10 HD1 PRO 10 -22.197 -7.372 -7.387 84 H ALA 11 HN ALA 11 -18.015 -4.396 -5.022 85 HA ALA 11 HA ALA 11 -16.943 -3.135 -7.477 86 HB1 ALA 11 HB1 ALA 11 -17.535 -1.229 -6.398 87 HB2 ALA 11 HB2 ALA 11 -16.035 -1.486 -5.509 88 HB3 ALA 11 HB3 ALA 11 -17.570 -2.009 -4.820 89 H ILE 12 HN ILE 12 -16.251 -4.847 -4.551 90 HA ILE 12 HA ILE 12 -14.427 -5.873 -3.678 91 HB ILE 12 HB ILE 12 -13.382 -5.767 -6.545 92 HG12 ILE 12 HG12 ILE 12 -14.789 -8.053 -5.108 93 HG13 ILE 12 HG11 ILE 12 -15.661 -6.894 -6.115 94 HG21 ILE 12 HG21 ILE 12 -12.656 -7.752 -4.365 95 HG22 ILE 12 HG22 ILE 12 -11.723 -6.282 -4.622 96 HG23 ILE 12 HG23 ILE 12 -11.839 -7.484 -5.904 97 HD11 ILE 12 HD11 ILE 12 -14.250 -7.509 -8.050 98 HD12 ILE 12 HD12 ILE 12 -15.064 -8.933 -7.400 99 HD13 ILE 12 HD13 ILE 12 -13.360 -8.650 -7.044 100 H ASP 13 HN ASP 13 -12.119 -4.408 -5.895 101 HA ASP 13 HA ASP 13 -11.151 -2.689 -3.702 102 HB2 ASP 13 HB2 ASP 13 -9.725 -3.662 -6.184 103 HB3 ASP 13 HB1 ASP 13 -9.011 -2.650 -4.931 104 H ARG 14 HN ARG 14 -13.182 -2.312 -6.196 105 HA ARG 14 HA ARG 14 -12.144 -0.069 -7.609 106 HB2 ARG 14 HB2 ARG 14 -14.937 -1.178 -7.277 107 HB3 ARG 14 HB1 ARG 14 -14.522 0.140 -8.370 108 HG2 ARG 14 HG2 ARG 14 -13.037 -1.264 -9.643 109 HG3 ARG 14 HG1 ARG 14 -13.148 -2.556 -8.449 110 HD2 ARG 14 HD2 ARG 14 -15.529 -2.833 -8.939 111 HD3 ARG 14 HD1 ARG 14 -15.451 -1.533 -10.131 112 HE ARG 14 HE ARG 14 -14.429 -4.258 -10.428 113 HH11 ARG 14 HH11 ARG 14 -14.444 -0.989 -11.716 114 HH12 ARG 14 HH12 ARG 14 -13.912 -1.478 -13.290 115 HH21 ARG 14 HH21 ARG 14 -13.737 -4.853 -12.489 116 HH22 ARG 14 HH22 ARG 14 -13.513 -3.657 -13.724 117 H GLY 15 HN GLY 15 -12.460 2.109 -7.284 118 HA2 GLY 15 HA2 GLY 15 -14.091 2.994 -4.996 119 HA3 GLY 15 HA1 GLY 15 -12.389 3.440 -5.035 120 H ASP 16 HN ASP 16 -15.411 3.660 -6.886 121 HA ASP 16 HA ASP 16 -14.528 5.691 -8.677 122 HB2 ASP 16 HB2 ASP 16 -17.281 4.761 -7.845 123 HB3 ASP 16 HB1 ASP 16 -17.024 6.035 -9.031 124 H HIS 17 HN HIS 17 -14.991 7.913 -8.686 125 HA HIS 17 HA HIS 17 -16.118 9.129 -6.298 126 HB2 HIS 17 HB2 HIS 17 -14.166 10.581 -5.893 127 HB3 HIS 17 HB1 HIS 17 -13.772 8.881 -5.658 128 HD2 HIS 17 HD2 HIS 17 -12.506 11.865 -7.698 129 HE1 HIS 17 HE1 HIS 17 -10.759 8.438 -9.435 130 HE2 HIS 17 HE2 HIS 17 -10.705 10.977 -9.360 131 H ALA 18 HN ALA 18 -16.420 11.468 -6.511 132 HA ALA 18 HA ALA 18 -17.135 12.119 -9.284 133 HB1 ALA 18 HB1 ALA 18 -18.733 12.176 -7.206 134 HB2 ALA 18 HB2 ALA 18 -18.857 13.404 -8.467 135 HB3 ALA 18 HB3 ALA 18 -18.019 13.770 -6.959 136 H VAL 19 HN VAL 19 -14.379 12.559 -7.860 137 HA VAL 19 HA VAL 19 -14.137 15.455 -8.464 138 HB VAL 19 HB VAL 19 -12.277 13.712 -6.799 139 HG11 VAL 19 HG11 VAL 19 -12.327 16.733 -6.891 140 HG12 VAL 19 HG12 VAL 19 -11.366 15.804 -8.032 141 HG13 VAL 19 HG13 VAL 19 -11.052 15.669 -6.301 142 HG21 VAL 19 HG21 VAL 19 -14.591 14.181 -5.811 143 HG22 VAL 19 HG22 VAL 19 -14.152 15.889 -5.816 144 HG23 VAL 19 HG23 VAL 19 -13.228 14.746 -4.843 145 H HIS 20 HN HIS 20 -13.193 15.958 -10.319 146 HA HIS 20 HA HIS 20 -11.901 13.939 -11.928 147 HB2 HIS 20 HB2 HIS 20 -11.792 15.696 -13.665 148 HB3 HIS 20 HB1 HIS 20 -13.414 15.522 -13.000 149 HD2 HIS 20 HD2 HIS 20 -10.688 18.251 -13.363 150 HE1 HIS 20 HE1 HIS 20 -13.692 19.848 -10.863 151 HE2 HIS 20 HE2 HIS 20 -11.593 20.396 -12.184 152 H CYS 21 HN CYS 21 -9.872 14.469 -13.152 153 HA CYS 21 HA CYS 21 -7.730 14.950 -11.296 154 HB2 CYS 21 HB2 CYS 21 -7.858 14.265 -14.216 155 HB3 CYS 21 HB1 CYS 21 -6.326 14.682 -13.453 156 H ASP 22 HN ASP 22 -5.890 16.439 -11.852 157 HA ASP 22 HA ASP 22 -6.902 19.095 -12.030 158 HB2 ASP 22 HB2 ASP 22 -4.071 18.058 -12.002 159 HB3 ASP 22 HB1 ASP 22 -4.555 19.735 -11.756 160 H LYS 23 HN LYS 23 -6.775 20.562 -13.655 161 HA LYS 23 HA LYS 23 -6.448 19.638 -16.353 162 HB2 LYS 23 HB2 LYS 23 -6.922 22.351 -15.116 163 HB3 LYS 23 HB1 LYS 23 -6.628 22.169 -16.844 164 HG2 LYS 23 HG2 LYS 23 -8.978 22.087 -16.664 165 HG3 LYS 23 HG1 LYS 23 -8.512 20.393 -16.794 166 HD2 LYS 23 HD2 LYS 23 -8.829 19.996 -14.479 167 HD3 LYS 23 HD1 LYS 23 -8.825 21.718 -14.090 168 HE2 LYS 23 HE2 LYS 23 -11.110 20.884 -14.007 169 HE3 LYS 23 HE1 LYS 23 -10.942 21.979 -15.379 170 HZ1 LYS 23 HZ1 LYS 23 -11.032 19.019 -15.400 171 HZ2 LYS 23 HZ2 LYS 23 -10.474 19.921 -16.730 172 HZ3 LYS 23 HZ3 LYS 23 -12.073 20.102 -16.184 173 H ALA 24 HN ALA 24 -4.374 21.103 -14.003 174 HA ALA 24 HA ALA 24 -2.288 21.722 -15.971 175 HB1 ALA 24 HB1 ALA 24 -2.557 23.459 -14.362 176 HB2 ALA 24 HB2 ALA 24 -1.073 22.612 -13.927 177 HB3 ALA 24 HB3 ALA 24 -2.556 22.312 -13.021 178 H HIS 25 HN HIS 25 -3.109 19.454 -13.448 179 HA HIS 25 HA HIS 25 -0.677 17.911 -14.084 180 HB2 HIS 25 HB2 HIS 25 -1.967 18.301 -11.366 181 HB3 HIS 25 HB1 HIS 25 -0.708 17.116 -11.698 182 HD2 HIS 25 HD2 HIS 25 1.871 18.165 -11.574 183 HE1 HIS 25 HE1 HIS 25 0.822 22.253 -11.504 184 HE2 HIS 25 HE2 HIS 25 2.748 20.609 -11.323 185 HA PRO 26 HA PRO 26 -4.751 15.458 -14.528 186 HB2 PRO 26 HB2 PRO 26 -4.789 15.076 -17.198 187 HB3 PRO 26 HB1 PRO 26 -5.472 16.527 -16.430 188 HG2 PRO 26 HG2 PRO 26 -2.814 16.162 -17.710 189 HG3 PRO 26 HG1 PRO 26 -3.997 17.466 -17.951 190 HD2 PRO 26 HD2 PRO 26 -1.879 17.796 -16.316 191 HD3 PRO 26 HD1 PRO 26 -3.462 18.508 -15.934 192 H ASN 27 HN ASN 27 -1.562 15.240 -15.949 193 HA ASN 27 HA ASN 27 -1.627 12.367 -16.356 194 HB2 ASN 27 HB2 ASN 27 0.683 12.598 -17.078 195 HB3 ASN 27 HB1 ASN 27 -0.301 13.851 -17.822 196 HD21 ASN 27 HD21 ASN 27 2.624 13.987 -17.332 197 HD22 ASN 27 HD22 ASN 27 2.873 15.319 -16.311 198 H THR 28 HN THR 28 -0.931 14.463 -13.725 199 HA THR 28 HA THR 28 0.137 12.198 -12.171 200 HB THR 28 HB THR 28 1.078 15.039 -11.761 201 HG1 THR 28 HG1 THR 28 2.686 14.664 -13.138 202 HG21 THR 28 HG21 THR 28 1.550 13.740 -9.857 203 HG22 THR 28 HG22 THR 28 3.042 13.673 -10.793 204 HG23 THR 28 HG23 THR 28 1.929 12.306 -10.813 205 H CYS 29 HN CYS 29 -2.588 13.346 -12.458 206 HA CYS 29 HA CYS 29 -3.246 14.934 -10.195 207 HB2 CYS 29 HB2 CYS 29 -5.549 14.495 -10.785 208 HB3 CYS 29 HB1 CYS 29 -4.625 14.730 -12.262 209 H LYS 30 HN LYS 30 -4.296 14.400 -8.304 210 HA LYS 30 HA LYS 30 -4.621 13.259 -6.359 211 HB2 LYS 30 HB2 LYS 30 -4.910 10.670 -7.891 212 HB3 LYS 30 HB1 LYS 30 -5.755 11.201 -6.445 213 HG2 LYS 30 HG2 LYS 30 -6.156 12.352 -9.230 214 HG3 LYS 30 HG1 LYS 30 -7.256 11.238 -8.430 215 HD2 LYS 30 HD2 LYS 30 -7.591 12.932 -6.622 216 HD3 LYS 30 HD1 LYS 30 -6.554 14.048 -7.504 217 HE2 LYS 30 HE2 LYS 30 -8.087 13.876 -9.460 218 HE3 LYS 30 HE1 LYS 30 -9.160 12.868 -8.486 219 HZ1 LYS 30 HZ1 LYS 30 -8.291 15.524 -7.549 220 HZ2 LYS 30 HZ2 LYS 30 -9.636 14.607 -7.060 221 HZ3 LYS 30 HZ3 LYS 30 -9.614 15.350 -8.592 222 H LYS 31 HN LYS 31 -3.907 11.073 -5.180 223 HA LYS 31 HA LYS 31 -1.118 10.458 -5.845 224 HB2 LYS 31 HB2 LYS 31 -2.046 11.386 -3.120 225 HB3 LYS 31 HB1 LYS 31 -0.439 10.774 -3.479 226 HG2 LYS 31 HG2 LYS 31 -1.671 13.142 -4.875 227 HG3 LYS 31 HG1 LYS 31 -0.710 13.294 -3.406 228 HD2 LYS 31 HD2 LYS 31 1.174 12.176 -4.524 229 HD3 LYS 31 HD1 LYS 31 0.223 12.057 -6.006 230 HE2 LYS 31 HE2 LYS 31 1.669 13.946 -6.116 231 HE3 LYS 31 HE1 LYS 31 0.010 14.528 -6.032 232 HZ1 LYS 31 HZ1 LYS 31 0.296 15.259 -3.883 233 HZ2 LYS 31 HZ2 LYS 31 1.844 15.560 -4.516 234 HZ3 LYS 31 HZ3 LYS 31 1.566 14.185 -3.555 235 H LYS 32 HN LYS 32 -0.284 8.556 -4.754 236 HA LYS 32 HA LYS 32 -2.398 6.703 -3.819 237 HB2 LYS 32 HB2 LYS 32 -0.145 5.957 -5.711 238 HB3 LYS 32 HB1 LYS 32 -1.437 4.905 -5.146 239 HG2 LYS 32 HG2 LYS 32 -1.909 7.422 -6.773 240 HG3 LYS 32 HG1 LYS 32 -1.842 5.810 -7.469 241 HD2 LYS 32 HD2 LYS 32 -3.771 5.121 -6.104 242 HD3 LYS 32 HD1 LYS 32 -3.824 6.714 -5.348 243 HE2 LYS 32 HE2 LYS 32 -4.184 7.751 -7.532 244 HE3 LYS 32 HE1 LYS 32 -4.168 6.161 -8.305 245 HZ1 LYS 32 HZ1 LYS 32 -6.014 6.676 -6.069 246 HZ2 LYS 32 HZ2 LYS 32 -6.162 5.572 -7.350 247 HZ3 LYS 32 HZ3 LYS 32 -6.417 7.231 -7.619 248 H GLN 33 HN GLN 33 -1.717 5.053 -2.392 249 HA GLN 33 HA GLN 33 1.023 5.112 -1.420 250 HB2 GLN 33 HB2 GLN 33 0.381 5.507 0.922 251 HB3 GLN 33 HB1 GLN 33 -0.066 6.873 -0.095 252 HG2 GLN 33 HG2 GLN 33 -2.155 4.750 0.282 253 HG3 GLN 33 HG1 GLN 33 -1.779 5.762 1.670 254 HE21 GLN 33 HE21 GLN 33 -3.776 6.953 1.604 255 HE22 GLN 33 HE22 GLN 33 -4.139 8.037 0.350 256 H ALA 34 HN ALA 34 1.364 3.436 0.334 257 HA ALA 34 HA ALA 34 0.616 0.912 -0.607 258 HB1 ALA 34 HB1 ALA 34 1.560 1.635 2.177 259 HB2 ALA 34 HB2 ALA 34 2.607 1.319 0.793 260 HB3 ALA 34 HB3 ALA 34 1.600 0.029 1.450 261 H ASN 35 HN ASN 35 -0.951 -0.513 -0.122 262 HA ASN 35 HA ASN 35 -3.385 0.442 1.072 263 HB2 ASN 35 HB2 ASN 35 -2.569 -2.293 0.081 264 HB3 ASN 35 HB1 ASN 35 -4.191 -1.872 0.617 265 HD21 ASN 35 HD21 ASN 35 -2.976 -2.543 -2.176 266 HD22 ASN 35 HD22 ASN 35 -3.562 -1.292 -3.162 267 HA PRO 36 HA PRO 36 -2.813 -0.890 5.260 268 HB2 PRO 36 HB2 PRO 36 -5.309 -1.548 6.052 269 HB3 PRO 36 HB1 PRO 36 -4.828 0.132 5.729 270 HG2 PRO 36 HG2 PRO 36 -6.334 -1.760 3.995 271 HG3 PRO 36 HG1 PRO 36 -6.624 -0.039 4.303 272 HD2 PRO 36 HD2 PRO 36 -5.380 -0.920 2.060 273 HD3 PRO 36 HD1 PRO 36 -5.024 0.650 2.796 274 H TYR 37 HN TYR 37 -4.341 -3.025 3.003 275 HA TYR 37 HA TYR 37 -4.098 -5.403 4.656 276 HB2 TYR 37 HB2 TYR 37 -6.069 -4.968 3.215 277 HB3 TYR 37 HB1 TYR 37 -5.020 -5.014 1.805 278 HD1 TYR 37 HD1 TYR 37 -6.255 -7.053 4.680 279 HD2 TYR 37 HD2 TYR 37 -4.349 -7.100 0.829 280 HE1 TYR 37 HE1 TYR 37 -6.458 -9.524 4.610 281 HE2 TYR 37 HE2 TYR 37 -4.553 -9.572 0.759 282 HH TYR 37 HH TYR 37 -6.307 -11.305 1.995 283 H ARG 38 HN ARG 38 -2.317 -6.669 4.628 284 HA ARG 38 HA ARG 38 -0.257 -6.188 2.604 285 HB2 ARG 38 HB2 ARG 38 0.316 -6.162 5.075 286 HB3 ARG 38 HB1 ARG 38 -0.049 -7.886 5.095 287 HG2 ARG 38 HG2 ARG 38 1.663 -8.310 3.448 288 HG3 ARG 38 HG1 ARG 38 2.000 -6.580 3.316 289 HD2 ARG 38 HD2 ARG 38 3.605 -7.538 4.811 290 HD3 ARG 38 HD1 ARG 38 2.512 -6.551 5.761 291 HE ARG 38 HE ARG 38 1.595 -9.250 5.683 292 HH11 ARG 38 HH11 ARG 38 4.076 -7.256 7.172 293 HH12 ARG 38 HH12 ARG 38 4.234 -8.274 8.562 294 HH21 ARG 38 HH21 ARG 38 1.834 -10.556 7.522 295 HH22 ARG 38 HH22 ARG 38 2.973 -10.130 8.757 296 H ARG 39 HN ARG 39 -1.268 -9.182 4.290 297 HA ARG 39 HA ARG 39 -2.136 -10.498 1.950 298 HB2 ARG 39 HB2 ARG 39 0.277 -10.293 1.431 299 HB3 ARG 39 HB1 ARG 39 0.642 -11.245 2.863 300 HG2 ARG 39 HG2 ARG 39 -0.605 -13.155 1.971 301 HG3 ARG 39 HG1 ARG 39 -1.113 -12.204 0.575 302 HD2 ARG 39 HD2 ARG 39 0.753 -13.610 -0.066 303 HD3 ARG 39 HD1 ARG 39 1.279 -11.937 -0.070 304 HE ARG 39 HE ARG 39 1.971 -13.976 1.971 305 HH11 ARG 39 HH11 ARG 39 2.537 -10.757 0.615 306 HH12 ARG 39 HH12 ARG 39 3.999 -10.531 1.503 307 HH21 ARG 39 HH21 ARG 39 3.900 -13.609 3.081 308 HH22 ARG 39 HH22 ARG 39 4.761 -12.121 2.881 309 H GLY 40 HN GLY 40 -3.101 -12.438 2.412 310 HA2 GLY 40 HA2 GLY 40 -3.037 -13.298 5.242 311 HA3 GLY 40 HA1 GLY 40 -4.432 -13.476 4.179 312 H CYS 41 HN CYS 41 -3.235 -15.608 5.657 313 HA CYS 41 HA CYS 41 -1.472 -17.175 4.041 314 HB2 CYS 41 HB2 CYS 41 -1.758 -18.884 5.649 315 HB3 CYS 41 HB1 CYS 41 -1.824 -17.377 6.543 316 H GLY 42 HN GLY 42 -1.891 -19.076 2.909 317 HA2 GLY 42 HA2 GLY 42 -4.560 -19.156 1.648 318 HA3 GLY 42 HA1 GLY 42 -3.076 -19.766 0.930 319 H VAL 43 HN VAL 43 -3.338 -20.553 4.235 320 HA VAL 43 HA VAL 43 -3.441 -23.349 3.711 321 HB VAL 43 HB VAL 43 -4.192 -22.474 6.487 322 HG11 VAL 43 HG11 VAL 43 -3.673 -24.810 5.896 323 HG12 VAL 43 HG12 VAL 43 -2.578 -24.161 7.124 324 HG13 VAL 43 HG13 VAL 43 -2.042 -24.305 5.451 325 HG21 VAL 43 HG21 VAL 43 -1.497 -21.773 5.261 326 HG22 VAL 43 HG22 VAL 43 -1.743 -21.947 7.005 327 HG23 VAL 43 HG23 VAL 43 -2.618 -20.710 6.110 328 H LEU 44 HN LEU 44 -5.846 -20.954 4.537 329 HA LEU 44 HA LEU 44 -8.123 -20.962 4.576 330 HB2 LEU 44 HB2 LEU 44 -7.800 -23.606 3.129 331 HB3 LEU 44 HB1 LEU 44 -9.326 -22.749 3.333 332 HG LEU 44 HG LEU 44 -6.886 -21.508 2.013 333 HD11 LEU 44 HD11 LEU 44 -8.013 -21.960 -0.125 334 HD12 LEU 44 HD12 LEU 44 -9.321 -22.784 0.722 335 HD13 LEU 44 HD13 LEU 44 -7.697 -23.469 0.729 336 HD21 LEU 44 HD21 LEU 44 -8.725 -19.985 1.073 337 HD22 LEU 44 HD22 LEU 44 -8.425 -19.818 2.802 338 HD23 LEU 44 HD23 LEU 44 -9.820 -20.735 2.236 339 H GLU 45 HN GLU 45 -6.318 -22.779 6.529 340 HA GLU 45 HA GLU 45 -8.119 -24.627 7.716 341 HB2 GLU 45 HB2 GLU 45 -5.619 -23.259 8.692 342 HB3 GLU 45 HB1 GLU 45 -6.505 -24.436 9.674 343 HG2 GLU 45 HG2 GLU 45 -6.196 -26.157 7.996 344 HG3 GLU 45 HG1 GLU 45 -5.502 -25.001 6.869 345 H GLY 46 HN GLY 46 -7.421 -21.240 8.243 346 HA2 GLY 46 HA2 GLY 46 -9.849 -20.428 9.214 347 HA3 GLY 46 HA1 GLY 46 -8.963 -20.946 10.651 348 H CYS 47 HN CYS 47 -6.370 -20.186 9.706 349 HA CYS 47 HA CYS 47 -4.941 -18.414 9.845 350 HB2 CYS 47 HB2 CYS 47 -6.534 -18.078 7.609 351 HB3 CYS 47 HB1 CYS 47 -6.690 -16.520 8.415 352 H HIS 48 HN HIS 48 -6.556 -18.711 12.087 353 HA HIS 48 HA HIS 48 -7.572 -16.095 12.865 354 HB2 HIS 48 HB2 HIS 48 -8.617 -18.318 13.563 355 HB3 HIS 48 HB1 HIS 48 -7.221 -18.541 14.613 356 HD2 HIS 48 HD2 HIS 48 -8.366 -14.840 14.636 357 HE1 HIS 48 HE1 HIS 48 -10.158 -16.658 17.998 358 HE2 HIS 48 HE2 HIS 48 -9.681 -14.442 16.857 359 H ARG 49 HN ARG 49 -5.965 -14.630 13.126 360 HA ARG 49 HA ARG 49 -3.511 -15.417 14.538 361 HB2 ARG 49 HB2 ARG 49 -3.351 -14.277 12.320 362 HB3 ARG 49 HB1 ARG 49 -4.118 -12.860 13.032 363 HG2 ARG 49 HG2 ARG 49 -2.273 -12.628 14.629 364 HG3 ARG 49 HG1 ARG 49 -1.514 -14.088 13.996 365 HD2 ARG 49 HD2 ARG 49 -1.321 -13.022 11.775 366 HD3 ARG 49 HD1 ARG 49 -2.056 -11.558 12.418 367 HE ARG 49 HE ARG 49 0.171 -12.184 14.023 368 HH11 ARG 49 HH11 ARG 49 -0.483 -11.163 10.726 369 HH12 ARG 49 HH12 ARG 49 1.036 -10.351 10.544 370 HH21 ARG 49 HH21 ARG 49 2.142 -11.113 13.746 371 HH22 ARG 49 HH22 ARG 49 2.514 -10.324 12.252 372 H GLU 50 HN GLU 50 -3.610 -15.202 16.673 373 HA GLU 50 HA GLU 50 -3.888 -12.658 17.881 374 HB2 GLU 50 HB2 GLU 50 -5.821 -13.123 19.337 375 HB3 GLU 50 HB1 GLU 50 -6.290 -13.040 17.640 376 HG2 GLU 50 HG2 GLU 50 -6.308 -15.495 17.502 377 HG3 GLU 50 HG1 GLU 50 -5.753 -15.617 19.169 378 H THR 51 HN THR 51 -3.387 -12.673 20.148 379 HA THR 51 HA THR 51 -2.686 -15.173 21.415 380 HB THR 51 HB THR 51 -0.710 -14.810 20.022 381 HG1 THR 51 HG1 THR 51 -0.576 -15.609 22.230 382 HG21 THR 51 HG21 THR 51 -0.558 -12.148 21.461 383 HG22 THR 51 HG22 THR 51 -0.750 -12.411 19.728 384 HG23 THR 51 HG23 THR 51 0.766 -12.837 20.521 385 H GLY 52 HN GLY 52 -2.191 -14.984 23.638 386 HA2 GLY 52 HA2 GLY 52 -2.003 -12.523 25.037 387 HA3 GLY 52 HA1 GLY 52 -3.659 -13.123 25.103 388 HA PRO 53 HA PRO 53 -0.820 -15.376 28.266 389 HB2 PRO 53 HB2 PRO 53 -1.606 -14.231 30.593 390 HB3 PRO 53 HB1 PRO 53 -0.283 -13.574 29.605 391 HG2 PRO 53 HG2 PRO 53 -3.128 -12.692 29.767 392 HG3 PRO 53 HG1 PRO 53 -1.645 -11.718 29.738 393 HD2 PRO 53 HD2 PRO 53 -3.166 -12.078 27.517 394 HD3 PRO 53 HD1 PRO 53 -1.398 -11.892 27.435 395 H LYS 54 HN LYS 54 -1.567 -17.186 29.348 396 HA LYS 54 HA LYS 54 -4.329 -17.343 30.227 397 HB2 LYS 54 HB2 LYS 54 -4.556 -19.631 28.971 398 HB3 LYS 54 HB1 LYS 54 -4.884 -18.143 28.114 399 HG2 LYS 54 HG2 LYS 54 -3.514 -19.510 26.654 400 HG3 LYS 54 HG1 LYS 54 -2.498 -18.199 27.235 401 HD2 LYS 54 HD2 LYS 54 -1.212 -20.231 27.367 402 HD3 LYS 54 HD1 LYS 54 -1.621 -19.787 29.016 403 HE2 LYS 54 HE2 LYS 54 -3.499 -21.390 28.985 404 HE3 LYS 54 HE1 LYS 54 -3.126 -21.804 27.315 405 HZ1 LYS 54 HZ1 LYS 54 -2.022 -23.442 28.448 406 HZ2 LYS 54 HZ2 LYS 54 -1.631 -22.439 29.763 407 HZ3 LYS 54 HZ3 LYS 54 -0.788 -22.292 28.294 408 HA PRO 55 HA PRO 55 -1.121 -19.744 32.819 409 HB2 PRO 55 HB2 PRO 55 -1.417 -18.327 35.127 410 HB3 PRO 55 HB1 PRO 55 -0.241 -17.890 33.868 411 HG2 PRO 55 HG2 PRO 55 -2.961 -16.779 34.381 412 HG3 PRO 55 HG1 PRO 55 -1.441 -15.929 34.055 413 HD2 PRO 55 HD2 PRO 55 -3.257 -16.293 32.104 414 HD3 PRO 55 HD1 PRO 55 -1.509 -16.388 31.765 415 H THR 56 HN THR 56 -4.388 -18.551 33.287 416 HA THR 56 HA THR 56 -5.249 -19.908 35.526 417 HB THR 56 HB THR 56 -6.899 -19.526 33.014 418 HG1 THR 56 HG1 THR 56 -6.402 -17.747 35.167 419 HG21 THR 56 HG21 THR 56 -7.751 -19.458 35.916 420 HG22 THR 56 HG22 THR 56 -7.828 -20.913 34.924 421 HG23 THR 56 HG23 THR 56 -8.785 -19.498 34.487 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 -2.431 9.449 33.839 2 H2 GLU 1 HT2 GLU 1 -3.642 8.525 34.594 3 H3 GLU 1 HT3 GLU 1 -2.029 8.407 35.113 4 HA GLU 1 HA GLU 1 -2.905 9.761 36.724 5 HB2 GLU 1 HB2 GLU 1 -0.964 10.806 35.462 6 HB3 GLU 1 HB1 GLU 1 -2.155 11.769 34.585 7 HG2 GLU 1 HG2 GLU 1 -2.986 12.707 36.693 8 HG3 GLU 1 HG1 GLU 1 -1.840 11.719 37.600 9 H ALA 2 HN ALA 2 -4.852 10.331 37.432 10 HA ALA 2 HA ALA 2 -6.836 11.385 35.511 11 HB1 ALA 2 HB1 ALA 2 -7.737 9.420 36.404 12 HB2 ALA 2 HB2 ALA 2 -8.453 10.682 37.407 13 HB3 ALA 2 HB3 ALA 2 -7.089 9.743 38.013 14 H SER 3 HN SER 3 -7.544 13.400 35.721 15 HA SER 3 HA SER 3 -7.938 14.743 38.188 16 HB2 SER 3 HB2 SER 3 -5.523 14.924 38.261 17 HB3 SER 3 HB1 SER 3 -5.485 15.542 36.614 18 HG SER 3 HG SER 3 -6.520 16.741 38.961 19 H VAL 4 HN VAL 4 -7.207 15.162 34.743 20 HA VAL 4 HA VAL 4 -9.565 16.899 34.496 21 HB VAL 4 HB VAL 4 -7.590 18.374 34.668 22 HG11 VAL 4 HG11 VAL 4 -5.939 16.733 33.767 23 HG12 VAL 4 HG12 VAL 4 -5.815 18.322 33.011 24 HG13 VAL 4 HG13 VAL 4 -6.606 16.997 32.155 25 HG21 VAL 4 HG21 VAL 4 -8.025 19.710 32.693 26 HG22 VAL 4 HG22 VAL 4 -9.542 18.935 33.147 27 HG23 VAL 4 HG23 VAL 4 -8.595 18.299 31.803 28 H ARG 5 HN ARG 5 -10.574 16.877 32.455 29 HA ARG 5 HA ARG 5 -10.519 14.404 31.073 30 HB2 ARG 5 HB2 ARG 5 -11.749 17.060 30.280 31 HB3 ARG 5 HB1 ARG 5 -12.071 15.526 29.476 32 HG2 ARG 5 HG2 ARG 5 -12.550 15.973 32.440 33 HG3 ARG 5 HG1 ARG 5 -13.798 16.211 31.221 34 HD2 ARG 5 HD2 ARG 5 -12.310 13.605 31.723 35 HD3 ARG 5 HD1 ARG 5 -13.953 13.963 32.233 36 HE ARG 5 HE ARG 5 -13.073 13.332 29.527 37 HH11 ARG 5 HH11 ARG 5 -15.640 14.667 31.516 38 HH12 ARG 5 HH12 ARG 5 -16.865 14.423 30.316 39 HH21 ARG 5 HH21 ARG 5 -14.700 13.027 27.988 40 HH22 ARG 5 HH22 ARG 5 -16.332 13.499 28.330 41 H TYR 6 HN TYR 6 -9.747 13.829 29.046 42 HA TYR 6 HA TYR 6 -8.277 15.687 27.401 43 HB2 TYR 6 HB2 TYR 6 -6.613 15.064 29.192 44 HB3 TYR 6 HB1 TYR 6 -6.776 13.383 28.689 45 HD1 TYR 6 HD1 TYR 6 -5.644 16.757 27.632 46 HD2 TYR 6 HD2 TYR 6 -5.777 12.577 26.644 47 HE1 TYR 6 HE1 TYR 6 -3.988 17.129 25.822 48 HE2 TYR 6 HE2 TYR 6 -4.121 12.952 24.836 49 HH TYR 6 HH TYR 6 -3.436 15.824 23.538 50 H ILE 7 HN ILE 7 -9.695 15.065 25.812 51 HA ILE 7 HA ILE 7 -9.350 12.316 24.800 52 HB ILE 7 HB ILE 7 -11.740 12.208 24.265 53 HG12 ILE 7 HG12 ILE 7 -12.072 14.734 25.924 54 HG13 ILE 7 HG11 ILE 7 -12.008 14.768 24.157 55 HG21 ILE 7 HG21 ILE 7 -10.979 11.247 26.371 56 HG22 ILE 7 HG22 ILE 7 -12.576 11.964 26.589 57 HG23 ILE 7 HG23 ILE 7 -11.143 12.813 27.167 58 HD11 ILE 7 HD11 ILE 7 -14.351 14.707 25.014 59 HD12 ILE 7 HD12 ILE 7 -14.006 13.162 25.790 60 HD13 ILE 7 HD13 ILE 7 -13.965 13.294 24.032 61 H THR 8 HN THR 8 -9.741 12.031 22.555 62 HA THR 8 HA THR 8 -9.393 14.507 20.968 63 HB THR 8 HB THR 8 -8.058 13.131 19.386 64 HG1 THR 8 HG1 THR 8 -7.706 11.063 19.783 65 HG21 THR 8 HG21 THR 8 -6.964 12.918 22.197 66 HG22 THR 8 HG22 THR 8 -7.058 14.446 21.320 67 HG23 THR 8 HG23 THR 8 -6.060 13.130 20.697 68 H TYR 9 HN TYR 9 -11.872 12.828 21.683 69 HA TYR 9 HA TYR 9 -13.834 12.206 20.675 70 HB2 TYR 9 HB2 TYR 9 -12.631 13.553 18.235 71 HB3 TYR 9 HB1 TYR 9 -14.309 13.049 18.382 72 HD1 TYR 9 HD1 TYR 9 -11.741 15.396 19.640 73 HD2 TYR 9 HD2 TYR 9 -15.883 14.264 19.757 74 HE1 TYR 9 HE1 TYR 9 -12.292 17.526 20.786 75 HE2 TYR 9 HE2 TYR 9 -16.432 16.393 20.901 76 HH TYR 9 HH TYR 9 -14.965 18.919 20.885 77 HA PRO 10 HA PRO 10 -13.090 8.176 19.003 78 HB2 PRO 10 HB2 PRO 10 -15.183 7.814 17.209 79 HB3 PRO 10 HB1 PRO 10 -15.290 7.575 18.966 80 HG2 PRO 10 HG2 PRO 10 -16.130 9.907 17.324 81 HG3 PRO 10 HG1 PRO 10 -16.912 9.179 18.740 82 HD2 PRO 10 HD2 PRO 10 -15.517 11.468 18.943 83 HD3 PRO 10 HD1 PRO 10 -15.505 10.272 20.251 84 H ALA 11 HN ALA 11 -14.411 10.028 16.218 85 HA ALA 11 HA ALA 11 -13.728 10.179 14.030 86 HB1 ALA 11 HB1 ALA 11 -11.211 10.708 13.842 87 HB2 ALA 11 HB2 ALA 11 -11.196 10.606 15.602 88 HB3 ALA 11 HB3 ALA 11 -12.209 11.805 14.796 89 H ILE 12 HN ILE 12 -14.252 8.114 13.259 90 HA ILE 12 HA ILE 12 -12.183 6.069 13.425 91 HB ILE 12 HB ILE 12 -13.916 4.504 12.603 92 HG12 ILE 12 HG12 ILE 12 -15.833 6.859 12.801 93 HG13 ILE 12 HG11 ILE 12 -15.139 6.296 11.278 94 HG21 ILE 12 HG21 ILE 12 -15.382 4.639 14.623 95 HG22 ILE 12 HG22 ILE 12 -14.738 6.248 14.950 96 HG23 ILE 12 HG23 ILE 12 -13.673 4.844 15.011 97 HD11 ILE 12 HD11 ILE 12 -17.446 5.357 11.821 98 HD12 ILE 12 HD12 ILE 12 -16.685 4.474 13.145 99 HD13 ILE 12 HD13 ILE 12 -16.206 4.149 11.479 100 H ASP 13 HN ASP 13 -12.482 4.601 11.218 101 HA ASP 13 HA ASP 13 -11.393 6.361 9.153 102 HB2 ASP 13 HB2 ASP 13 -10.489 4.321 8.150 103 HB3 ASP 13 HB1 ASP 13 -10.062 4.434 9.852 104 H ARG 14 HN ARG 14 -13.804 7.008 9.083 105 HA ARG 14 HA ARG 14 -15.747 5.410 7.814 106 HB2 ARG 14 HB2 ARG 14 -15.340 8.388 7.777 107 HB3 ARG 14 HB1 ARG 14 -16.757 7.570 7.128 108 HG2 ARG 14 HG2 ARG 14 -16.934 6.473 9.495 109 HG3 ARG 14 HG1 ARG 14 -15.788 7.719 9.976 110 HD2 ARG 14 HD2 ARG 14 -18.015 8.545 10.425 111 HD3 ARG 14 HD1 ARG 14 -17.308 9.468 9.102 112 HE ARG 14 HE ARG 14 -18.853 7.224 8.162 113 HH11 ARG 14 HH11 ARG 14 -19.113 10.539 9.295 114 HH12 ARG 14 HH12 ARG 14 -20.609 10.832 8.474 115 HH21 ARG 14 HH21 ARG 14 -20.810 7.647 7.108 116 HH22 ARG 14 HH22 ARG 14 -21.562 9.201 7.243 117 H GLY 15 HN GLY 15 -13.366 7.652 6.497 118 HA2 GLY 15 HA2 GLY 15 -12.607 6.497 4.242 119 HA3 GLY 15 HA1 GLY 15 -14.180 7.114 3.765 120 H ASP 16 HN ASP 16 -12.594 8.290 2.233 121 HA ASP 16 HA ASP 16 -11.508 10.717 3.490 122 HB2 ASP 16 HB2 ASP 16 -9.928 9.536 2.047 123 HB3 ASP 16 HB1 ASP 16 -11.075 9.564 0.711 124 H HIS 17 HN HIS 17 -12.616 10.671 0.121 125 HA HIS 17 HA HIS 17 -15.202 11.645 0.438 126 HB2 HIS 17 HB2 HIS 17 -14.105 13.625 1.509 127 HB3 HIS 17 HB1 HIS 17 -13.216 13.925 0.022 128 HD2 HIS 17 HD2 HIS 17 -16.811 14.409 1.471 129 HE1 HIS 17 HE1 HIS 17 -16.822 15.881 -2.486 130 HE2 HIS 17 HE2 HIS 17 -18.165 15.720 -0.337 131 H ALA 18 HN ALA 18 -13.223 13.481 -1.843 132 HA ALA 18 HA ALA 18 -13.310 11.568 -3.963 133 HB1 ALA 18 HB1 ALA 18 -15.622 12.050 -4.141 134 HB2 ALA 18 HB2 ALA 18 -14.850 13.017 -5.400 135 HB3 ALA 18 HB3 ALA 18 -15.361 13.777 -3.892 136 H VAL 19 HN VAL 19 -12.145 12.269 -5.805 137 HA VAL 19 HA VAL 19 -10.947 14.953 -5.645 138 HB VAL 19 HB VAL 19 -8.751 14.013 -6.261 139 HG11 VAL 19 HG11 VAL 19 -9.779 12.677 -3.753 140 HG12 VAL 19 HG12 VAL 19 -9.510 14.417 -3.861 141 HG13 VAL 19 HG13 VAL 19 -8.159 13.302 -4.063 142 HG21 VAL 19 HG21 VAL 19 -10.132 11.348 -5.777 143 HG22 VAL 19 HG22 VAL 19 -8.390 11.556 -5.967 144 HG23 VAL 19 HG23 VAL 19 -9.473 11.917 -7.312 145 H HIS 20 HN HIS 20 -9.991 15.711 -7.619 146 HA HIS 20 HA HIS 20 -10.990 14.410 -10.070 147 HB2 HIS 20 HB2 HIS 20 -11.214 17.351 -9.378 148 HB3 HIS 20 HB1 HIS 20 -11.524 16.677 -10.978 149 HD2 HIS 20 HD2 HIS 20 -14.012 15.409 -11.262 150 HE1 HIS 20 HE1 HIS 20 -15.263 15.828 -7.252 151 HE2 HIS 20 HE2 HIS 20 -15.986 15.112 -9.579 152 H CYS 21 HN CYS 21 -9.727 14.778 -11.943 153 HA CYS 21 HA CYS 21 -6.933 15.052 -11.428 154 HB2 CYS 21 HB2 CYS 21 -8.420 14.938 -14.057 155 HB3 CYS 21 HB1 CYS 21 -6.690 14.682 -13.831 156 H ASP 22 HN ASP 22 -5.585 16.748 -11.752 157 HA ASP 22 HA ASP 22 -6.684 19.371 -11.988 158 HB2 ASP 22 HB2 ASP 22 -4.561 18.698 -10.730 159 HB3 ASP 22 HB1 ASP 22 -3.784 18.609 -12.304 160 H LYS 23 HN LYS 23 -6.927 20.611 -13.765 161 HA LYS 23 HA LYS 23 -6.666 19.439 -16.356 162 HB2 LYS 23 HB2 LYS 23 -7.314 22.248 -15.435 163 HB3 LYS 23 HB1 LYS 23 -7.227 21.809 -17.139 164 HG2 LYS 23 HG2 LYS 23 -9.507 21.514 -16.649 165 HG3 LYS 23 HG1 LYS 23 -8.873 19.879 -16.514 166 HD2 LYS 23 HD2 LYS 23 -8.874 19.946 -14.138 167 HD3 LYS 23 HD1 LYS 23 -9.039 21.702 -14.103 168 HE2 LYS 23 HE2 LYS 23 -11.150 19.801 -15.166 169 HE3 LYS 23 HE1 LYS 23 -11.172 20.519 -13.556 170 HZ1 LYS 23 HZ1 LYS 23 -10.885 22.708 -14.926 171 HZ2 LYS 23 HZ2 LYS 23 -12.421 22.016 -14.704 172 HZ3 LYS 23 HZ3 LYS 23 -11.584 21.788 -16.165 173 H ALA 24 HN ALA 24 -4.519 21.229 -14.354 174 HA ALA 24 HA ALA 24 -2.681 21.827 -16.574 175 HB1 ALA 24 HB1 ALA 24 -2.963 23.716 -15.148 176 HB2 ALA 24 HB2 ALA 24 -1.385 23.034 -14.752 177 HB3 ALA 24 HB3 ALA 24 -2.765 22.736 -13.695 178 H HIS 25 HN HIS 25 -3.139 19.779 -13.787 179 HA HIS 25 HA HIS 25 -0.643 18.355 -14.435 180 HB2 HIS 25 HB2 HIS 25 -1.752 18.993 -11.689 181 HB3 HIS 25 HB1 HIS 25 -0.455 17.838 -11.971 182 HD2 HIS 25 HD2 HIS 25 2.063 19.024 -12.202 183 HE1 HIS 25 HE1 HIS 25 0.773 23.030 -12.515 184 HE2 HIS 25 HE2 HIS 25 2.807 21.523 -12.321 185 HA PRO 26 HA PRO 26 -4.517 15.568 -14.265 186 HB2 PRO 26 HB2 PRO 26 -4.654 14.830 -16.863 187 HB3 PRO 26 HB1 PRO 26 -5.452 16.284 -16.224 188 HG2 PRO 26 HG2 PRO 26 -2.867 16.047 -17.692 189 HG3 PRO 26 HG1 PRO 26 -4.187 17.207 -17.929 190 HD2 PRO 26 HD2 PRO 26 -1.959 17.856 -16.536 191 HD3 PRO 26 HD1 PRO 26 -3.554 18.519 -16.120 192 H ASN 27 HN ASN 27 -1.358 15.447 -15.688 193 HA ASN 27 HA ASN 27 -1.022 12.691 -16.123 194 HB2 ASN 27 HB2 ASN 27 0.495 14.536 -16.904 195 HB3 ASN 27 HB1 ASN 27 1.124 14.621 -15.266 196 HD21 ASN 27 HD21 ASN 27 3.226 13.757 -15.639 197 HD22 ASN 27 HD22 ASN 27 3.492 12.183 -16.215 198 H THR 28 HN THR 28 -0.673 14.694 -13.223 199 HA THR 28 HA THR 28 0.425 12.478 -11.702 200 HB THR 28 HB THR 28 0.554 14.113 -9.843 201 HG1 THR 28 HG1 THR 28 -0.922 15.603 -10.047 202 HG21 THR 28 HG21 THR 28 2.197 15.635 -10.939 203 HG22 THR 28 HG22 THR 28 1.649 15.048 -12.509 204 HG23 THR 28 HG23 THR 28 2.435 13.944 -11.381 205 H CYS 29 HN CYS 29 -2.642 13.270 -12.635 206 HA CYS 29 HA CYS 29 -4.149 13.206 -10.306 207 HB2 CYS 29 HB2 CYS 29 -5.069 13.891 -12.458 208 HB3 CYS 29 HB1 CYS 29 -4.881 12.249 -13.070 209 H LYS 30 HN LYS 30 -4.782 11.611 -8.969 210 HA LYS 30 HA LYS 30 -3.665 8.964 -9.323 211 HB2 LYS 30 HB2 LYS 30 -5.268 10.139 -7.041 212 HB3 LYS 30 HB1 LYS 30 -4.516 8.553 -7.042 213 HG2 LYS 30 HG2 LYS 30 -2.808 9.720 -6.031 214 HG3 LYS 30 HG1 LYS 30 -2.317 9.961 -7.701 215 HD2 LYS 30 HD2 LYS 30 -3.385 12.151 -7.740 216 HD3 LYS 30 HD1 LYS 30 -4.047 11.894 -6.124 217 HE2 LYS 30 HE2 LYS 30 -1.087 11.841 -6.724 218 HE3 LYS 30 HE1 LYS 30 -1.932 13.300 -6.198 219 HZ1 LYS 30 HZ1 LYS 30 -1.076 12.294 -4.266 220 HZ2 LYS 30 HZ2 LYS 30 -1.601 10.746 -4.732 221 HZ3 LYS 30 HZ3 LYS 30 -2.732 11.927 -4.265 222 H LYS 31 HN LYS 31 -4.820 7.026 -9.292 223 HA LYS 31 HA LYS 31 -7.710 7.193 -9.851 224 HB2 LYS 31 HB2 LYS 31 -5.734 5.456 -11.358 225 HB3 LYS 31 HB1 LYS 31 -7.480 5.443 -11.569 226 HG2 LYS 31 HG2 LYS 31 -5.779 7.905 -11.981 227 HG3 LYS 31 HG1 LYS 31 -6.225 6.810 -13.288 228 HD2 LYS 31 HD2 LYS 31 -8.633 7.221 -12.767 229 HD3 LYS 31 HD1 LYS 31 -8.145 8.379 -11.529 230 HE2 LYS 31 HE2 LYS 31 -6.983 9.719 -13.231 231 HE3 LYS 31 HE1 LYS 31 -7.473 8.572 -14.477 232 HZ1 LYS 31 HZ1 LYS 31 -9.722 9.124 -14.187 233 HZ2 LYS 31 HZ2 LYS 31 -8.905 10.614 -14.204 234 HZ3 LYS 31 HZ3 LYS 31 -9.432 9.948 -12.734 235 H LYS 32 HN LYS 32 -8.919 5.312 -9.372 236 HA LYS 32 HA LYS 32 -7.591 3.460 -7.469 237 HB2 LYS 32 HB2 LYS 32 -10.335 4.699 -7.089 238 HB3 LYS 32 HB1 LYS 32 -9.498 3.630 -5.970 239 HG2 LYS 32 HG2 LYS 32 -8.432 6.343 -6.813 240 HG3 LYS 32 HG1 LYS 32 -9.332 6.070 -5.328 241 HD2 LYS 32 HD2 LYS 32 -7.599 4.497 -4.554 242 HD3 LYS 32 HD1 LYS 32 -6.704 4.729 -6.057 243 HE2 LYS 32 HE2 LYS 32 -6.490 7.113 -5.577 244 HE3 LYS 32 HE1 LYS 32 -7.369 6.905 -4.059 245 HZ1 LYS 32 HZ1 LYS 32 -5.648 5.703 -3.122 246 HZ2 LYS 32 HZ2 LYS 32 -4.805 6.872 -4.026 247 HZ3 LYS 32 HZ3 LYS 32 -4.966 5.286 -4.618 248 H GLN 33 HN GLN 33 -8.505 1.375 -7.283 249 HA GLN 33 HA GLN 33 -10.701 0.630 -9.026 250 HB2 GLN 33 HB2 GLN 33 -9.429 -1.076 -10.265 251 HB3 GLN 33 HB1 GLN 33 -8.790 0.536 -10.571 252 HG2 GLN 33 HG2 GLN 33 -7.539 -0.993 -8.309 253 HG3 GLN 33 HG1 GLN 33 -7.200 -1.550 -9.941 254 HE21 GLN 33 HE21 GLN 33 -4.994 -0.816 -9.963 255 HE22 GLN 33 HE22 GLN 33 -4.592 0.833 -9.961 256 H ALA 34 HN ALA 34 -11.324 -1.661 -8.782 257 HA ALA 34 HA ALA 34 -10.313 -3.071 -6.434 258 HB1 ALA 34 HB1 ALA 34 -11.963 -1.676 -5.379 259 HB2 ALA 34 HB2 ALA 34 -12.639 -3.299 -5.502 260 HB3 ALA 34 HB3 ALA 34 -13.151 -2.044 -6.628 261 H ASN 35 HN ASN 35 -11.086 -5.278 -6.297 262 HA ASN 35 HA ASN 35 -11.340 -6.507 -8.865 263 HB2 ASN 35 HB2 ASN 35 -11.591 -7.676 -6.090 264 HB3 ASN 35 HB1 ASN 35 -11.568 -8.622 -7.569 265 HD21 ASN 35 HD21 ASN 35 -9.537 -8.452 -5.282 266 HD22 ASN 35 HD22 ASN 35 -8.065 -8.107 -6.054 267 HA PRO 36 HA PRO 36 -15.765 -6.644 -9.235 268 HB2 PRO 36 HB2 PRO 36 -16.152 -8.640 -10.963 269 HB3 PRO 36 HB1 PRO 36 -15.277 -7.168 -11.438 270 HG2 PRO 36 HG2 PRO 36 -14.195 -9.832 -10.678 271 HG3 PRO 36 HG1 PRO 36 -13.702 -8.748 -11.989 272 HD2 PRO 36 HD2 PRO 36 -12.385 -8.916 -9.585 273 HD3 PRO 36 HD1 PRO 36 -12.359 -7.479 -10.627 274 H TYR 37 HN TYR 37 -14.088 -9.485 -8.115 275 HA TYR 37 HA TYR 37 -16.261 -11.190 -7.555 276 HB2 TYR 37 HB2 TYR 37 -13.913 -11.940 -7.660 277 HB3 TYR 37 HB1 TYR 37 -13.545 -11.003 -6.217 278 HD1 TYR 37 HD1 TYR 37 -15.602 -13.827 -7.519 279 HD2 TYR 37 HD2 TYR 37 -14.011 -11.884 -4.035 280 HE1 TYR 37 HE1 TYR 37 -16.344 -15.734 -6.117 281 HE2 TYR 37 HE2 TYR 37 -14.753 -13.791 -2.633 282 HH TYR 37 HH TYR 37 -16.808 -15.677 -3.043 283 H ARG 38 HN ARG 38 -17.756 -11.167 -5.983 284 HA ARG 38 HA ARG 38 -17.269 -9.837 -3.435 285 HB2 ARG 38 HB2 ARG 38 -18.179 -8.080 -4.983 286 HB3 ARG 38 HB1 ARG 38 -19.654 -9.044 -5.107 287 HG2 ARG 38 HG2 ARG 38 -20.017 -8.858 -2.697 288 HG3 ARG 38 HG1 ARG 38 -18.494 -7.989 -2.511 289 HD2 ARG 38 HD2 ARG 38 -19.345 -6.187 -3.973 290 HD3 ARG 38 HD1 ARG 38 -20.874 -7.044 -4.130 291 HE ARG 38 HE ARG 38 -19.939 -5.550 -1.804 292 HH11 ARG 38 HH11 ARG 38 -22.270 -7.871 -3.038 293 HH12 ARG 38 HH12 ARG 38 -23.396 -7.608 -1.750 294 HH21 ARG 38 HH21 ARG 38 -21.428 -5.246 -0.136 295 HH22 ARG 38 HH22 ARG 38 -22.918 -6.131 -0.114 296 H ARG 39 HN ARG 39 -18.410 -10.681 -1.793 297 HA ARG 39 HA ARG 39 -20.539 -12.621 -2.402 298 HB2 ARG 39 HB2 ARG 39 -18.307 -13.777 -2.102 299 HB3 ARG 39 HB1 ARG 39 -18.352 -13.240 -0.424 300 HG2 ARG 39 HG2 ARG 39 -19.285 -15.428 -0.392 301 HG3 ARG 39 HG1 ARG 39 -20.667 -14.343 -0.282 302 HD2 ARG 39 HD2 ARG 39 -21.098 -14.592 -2.680 303 HD3 ARG 39 HD1 ARG 39 -19.653 -15.584 -2.860 304 HE ARG 39 HE ARG 39 -22.218 -16.413 -1.758 305 HH11 ARG 39 HH11 ARG 39 -18.800 -17.166 -2.040 306 HH12 ARG 39 HH12 ARG 39 -19.015 -18.846 -1.673 307 HH21 ARG 39 HH21 ARG 39 -22.455 -18.605 -1.270 308 HH22 ARG 39 HH22 ARG 39 -21.076 -19.653 -1.241 309 H GLY 40 HN GLY 40 -19.132 -10.328 -0.187 310 HA2 GLY 40 HA2 GLY 40 -20.733 -10.858 2.068 311 HA3 GLY 40 HA1 GLY 40 -19.946 -9.318 1.723 312 H CYS 41 HN CYS 41 -22.602 -9.800 2.852 313 HA CYS 41 HA CYS 41 -24.619 -9.368 0.891 314 HB2 CYS 41 HB2 CYS 41 -26.097 -8.933 2.779 315 HB3 CYS 41 HB1 CYS 41 -25.071 -10.320 3.136 316 H GLY 42 HN GLY 42 -25.908 -7.480 0.575 317 HA2 GLY 42 HA2 GLY 42 -24.467 -4.931 1.049 318 HA3 GLY 42 HA1 GLY 42 -25.299 -5.292 -0.456 319 H VAL 43 HN VAL 43 -26.892 -6.426 2.377 320 HA VAL 43 HA VAL 43 -29.234 -4.941 1.905 321 HB VAL 43 HB VAL 43 -30.003 -5.797 4.094 322 HG11 VAL 43 HG11 VAL 43 -30.183 -7.263 2.169 323 HG12 VAL 43 HG12 VAL 43 -29.709 -8.225 3.569 324 HG13 VAL 43 HG13 VAL 43 -28.507 -7.779 2.358 325 HG21 VAL 43 HG21 VAL 43 -27.135 -6.788 4.336 326 HG22 VAL 43 HG22 VAL 43 -28.456 -7.274 5.402 327 HG23 VAL 43 HG23 VAL 43 -27.918 -5.595 5.373 328 H LEU 44 HN LEU 44 -26.485 -4.329 4.006 329 HA LEU 44 HA LEU 44 -25.767 -2.482 5.139 330 HB2 LEU 44 HB2 LEU 44 -27.956 -1.073 3.587 331 HB3 LEU 44 HB1 LEU 44 -26.794 -0.260 4.624 332 HG LEU 44 HG LEU 44 -25.956 -2.068 2.337 333 HD11 LEU 44 HD11 LEU 44 -26.199 0.959 2.370 334 HD12 LEU 44 HD12 LEU 44 -27.297 -0.130 1.525 335 HD13 LEU 44 HD13 LEU 44 -25.610 -0.024 1.029 336 HD21 LEU 44 HD21 LEU 44 -24.546 -0.010 4.080 337 HD22 LEU 44 HD22 LEU 44 -23.842 -0.647 2.595 338 HD23 LEU 44 HD23 LEU 44 -24.176 -1.730 3.944 339 H GLU 45 HN GLU 45 -28.790 -3.852 5.695 340 HA GLU 45 HA GLU 45 -29.874 -2.151 7.698 341 HB2 GLU 45 HB2 GLU 45 -30.171 -5.105 7.162 342 HB3 GLU 45 HB1 GLU 45 -31.062 -4.259 8.424 343 HG2 GLU 45 HG2 GLU 45 -32.116 -2.801 6.818 344 HG3 GLU 45 HG1 GLU 45 -31.097 -3.408 5.518 345 H GLY 46 HN GLY 46 -27.532 -4.739 7.716 346 HA2 GLY 46 HA2 GLY 46 -25.931 -4.101 9.764 347 HA3 GLY 46 HA1 GLY 46 -27.303 -4.817 10.610 348 H CYS 47 HN CYS 47 -27.776 -6.616 8.206 349 HA CYS 47 HA CYS 47 -27.304 -8.751 7.575 350 HB2 CYS 47 HB2 CYS 47 -25.121 -7.253 6.960 351 HB3 CYS 47 HB1 CYS 47 -24.375 -8.469 7.996 352 H HIS 48 HN HIS 48 -28.337 -9.244 9.717 353 HA HIS 48 HA HIS 48 -26.678 -11.147 11.141 354 HB2 HIS 48 HB2 HIS 48 -26.350 -8.904 12.308 355 HB3 HIS 48 HB1 HIS 48 -28.053 -8.990 12.755 356 HD2 HIS 48 HD2 HIS 48 -24.665 -10.456 13.896 357 HE1 HIS 48 HE1 HIS 48 -27.660 -12.525 16.029 358 HE2 HIS 48 HE2 HIS 48 -25.160 -12.124 15.840 359 H ARG 49 HN ARG 49 -27.848 -12.820 11.972 360 HA ARG 49 HA ARG 49 -30.563 -13.140 11.140 361 HB2 ARG 49 HB2 ARG 49 -28.897 -15.010 11.353 362 HB3 ARG 49 HB1 ARG 49 -29.008 -14.849 13.105 363 HG2 ARG 49 HG2 ARG 49 -31.416 -15.334 13.018 364 HG3 ARG 49 HG1 ARG 49 -31.347 -15.437 11.259 365 HD2 ARG 49 HD2 ARG 49 -29.740 -17.320 11.448 366 HD3 ARG 49 HD1 ARG 49 -29.867 -17.234 13.202 367 HE ARG 49 HE ARG 49 -32.469 -17.514 12.157 368 HH11 ARG 49 HH11 ARG 49 -29.513 -19.408 12.396 369 HH12 ARG 49 HH12 ARG 49 -30.343 -20.927 12.385 370 HH21 ARG 49 HH21 ARG 49 -33.509 -19.528 12.141 371 HH22 ARG 49 HH22 ARG 49 -32.590 -20.992 12.243 372 H GLU 50 HN GLU 50 -32.436 -12.841 12.228 373 HA GLU 50 HA GLU 50 -32.296 -12.057 15.080 374 HB2 GLU 50 HB2 GLU 50 -34.060 -10.843 12.953 375 HB3 GLU 50 HB1 GLU 50 -34.084 -10.427 14.664 376 HG2 GLU 50 HG2 GLU 50 -31.709 -9.706 14.512 377 HG3 GLU 50 HG1 GLU 50 -31.727 -10.062 12.786 378 H THR 51 HN THR 51 -34.155 -12.487 16.328 379 HA THR 51 HA THR 51 -36.322 -14.004 15.185 380 HB THR 51 HB THR 51 -34.636 -15.739 15.430 381 HG1 THR 51 HG1 THR 51 -36.028 -17.119 16.317 382 HG21 THR 51 HG21 THR 51 -33.621 -16.318 17.503 383 HG22 THR 51 HG22 THR 51 -34.718 -15.280 18.415 384 HG23 THR 51 HG23 THR 51 -33.476 -14.564 17.387 385 H GLY 52 HN GLY 52 -34.783 -12.541 17.983 386 HA2 GLY 52 HA2 GLY 52 -35.865 -11.161 19.546 387 HA3 GLY 52 HA1 GLY 52 -37.405 -11.859 19.073 388 HA PRO 53 HA PRO 53 -35.600 -15.296 21.945 389 HB2 PRO 53 HB2 PRO 53 -33.150 -14.964 23.070 390 HB3 PRO 53 HB1 PRO 53 -33.382 -15.706 21.469 391 HG2 PRO 53 HG2 PRO 53 -32.643 -12.889 22.141 392 HG3 PRO 53 HG1 PRO 53 -31.913 -13.983 20.945 393 HD2 PRO 53 HD2 PRO 53 -33.683 -12.094 20.209 394 HD3 PRO 53 HD1 PRO 53 -33.657 -13.691 19.422 395 H LYS 54 HN LYS 54 -36.097 -15.426 24.151 396 HA LYS 54 HA LYS 54 -35.624 -13.149 25.905 397 HB2 LYS 54 HB2 LYS 54 -37.795 -12.744 24.691 398 HB3 LYS 54 HB1 LYS 54 -38.426 -14.151 25.543 399 HG2 LYS 54 HG2 LYS 54 -37.695 -13.040 27.710 400 HG3 LYS 54 HG1 LYS 54 -37.328 -11.600 26.768 401 HD2 LYS 54 HD2 LYS 54 -39.527 -11.220 27.563 402 HD3 LYS 54 HD1 LYS 54 -39.755 -11.751 25.895 403 HE2 LYS 54 HE2 LYS 54 -40.073 -14.071 26.724 404 HE3 LYS 54 HE1 LYS 54 -39.978 -13.472 28.376 405 HZ1 LYS 54 HZ1 LYS 54 -41.982 -12.591 26.364 406 HZ2 LYS 54 HZ2 LYS 54 -41.870 -12.040 27.966 407 HZ3 LYS 54 HZ3 LYS 54 -42.285 -13.656 27.647 408 HA PRO 55 HA PRO 55 -35.168 -17.278 28.086 409 HB2 PRO 55 HB2 PRO 55 -33.126 -16.459 29.714 410 HB3 PRO 55 HB1 PRO 55 -32.868 -17.107 28.078 411 HG2 PRO 55 HG2 PRO 55 -32.991 -14.267 28.985 412 HG3 PRO 55 HG1 PRO 55 -31.818 -15.053 27.915 413 HD2 PRO 55 HD2 PRO 55 -33.799 -13.581 26.882 414 HD3 PRO 55 HD1 PRO 55 -33.298 -15.102 26.097 415 H THR 56 HN THR 56 -35.332 -13.953 29.211 416 HA THR 56 HA THR 56 -36.037 -12.970 31.148 417 HB THR 56 HB THR 56 -38.112 -13.329 29.902 418 HG1 THR 56 HG1 THR 56 -39.420 -12.992 31.615 419 HG21 THR 56 HG21 THR 56 -38.195 -15.692 29.606 420 HG22 THR 56 HG22 THR 56 -39.566 -15.293 30.640 421 HG23 THR 56 HG23 THR 56 -38.104 -15.987 31.344 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 -36.916 -17.599 16.361 2 H2 GLU 1 HT2 GLU 1 -36.844 -17.882 18.033 3 H3 GLU 1 HT3 GLU 1 -38.252 -18.263 17.163 4 HA GLU 1 HA GLU 1 -36.973 -20.249 17.695 5 HB2 GLU 1 HB2 GLU 1 -36.870 -21.152 15.380 6 HB3 GLU 1 HB1 GLU 1 -38.354 -20.244 15.666 7 HG2 GLU 1 HG2 GLU 1 -37.343 -18.257 14.573 8 HG3 GLU 1 HG1 GLU 1 -35.875 -19.181 14.265 9 H ALA 2 HN ALA 2 -35.194 -17.774 15.916 10 HA ALA 2 HA ALA 2 -32.677 -18.865 16.917 11 HB1 ALA 2 HB1 ALA 2 -33.314 -18.522 13.988 12 HB2 ALA 2 HB2 ALA 2 -32.702 -19.956 14.812 13 HB3 ALA 2 HB3 ALA 2 -31.661 -18.548 14.602 14 H SER 3 HN SER 3 -30.972 -17.347 16.955 15 HA SER 3 HA SER 3 -31.808 -14.534 16.551 16 HB2 SER 3 HB2 SER 3 -30.021 -15.673 18.716 17 HB3 SER 3 HB1 SER 3 -30.334 -13.961 18.455 18 HG SER 3 HG SER 3 -31.693 -15.264 20.023 19 H VAL 4 HN VAL 4 -30.222 -13.055 15.850 20 HA VAL 4 HA VAL 4 -27.709 -14.220 14.843 21 HB VAL 4 HB VAL 4 -29.334 -14.154 12.984 22 HG11 VAL 4 HG11 VAL 4 -30.356 -12.148 12.215 23 HG12 VAL 4 HG12 VAL 4 -29.356 -11.144 13.262 24 HG13 VAL 4 HG13 VAL 4 -30.609 -12.169 13.960 25 HG21 VAL 4 HG21 VAL 4 -27.111 -12.087 12.794 26 HG22 VAL 4 HG22 VAL 4 -27.955 -12.774 11.406 27 HG23 VAL 4 HG23 VAL 4 -26.970 -13.810 12.440 28 H ARG 5 HN ARG 5 -25.938 -12.960 15.006 29 HA ARG 5 HA ARG 5 -25.975 -10.693 16.743 30 HB2 ARG 5 HB2 ARG 5 -24.086 -12.363 16.469 31 HB3 ARG 5 HB1 ARG 5 -23.716 -11.573 14.937 32 HG2 ARG 5 HG2 ARG 5 -22.289 -10.530 16.537 33 HG3 ARG 5 HG1 ARG 5 -23.600 -9.383 16.267 34 HD2 ARG 5 HD2 ARG 5 -24.698 -10.020 18.301 35 HD3 ARG 5 HD1 ARG 5 -23.637 -11.411 18.513 36 HE ARG 5 HE ARG 5 -23.018 -8.631 19.142 37 HH11 ARG 5 HH11 ARG 5 -21.705 -11.842 18.565 38 HH12 ARG 5 HH12 ARG 5 -20.228 -11.519 19.408 39 HH21 ARG 5 HH21 ARG 5 -21.077 -8.258 20.240 40 HH22 ARG 5 HH22 ARG 5 -19.874 -9.501 20.350 41 H TYR 6 HN TYR 6 -26.023 -8.541 16.267 42 HA TYR 6 HA TYR 6 -25.616 -7.691 13.494 43 HB2 TYR 6 HB2 TYR 6 -28.144 -8.110 14.168 44 HB3 TYR 6 HB1 TYR 6 -27.970 -6.557 14.979 45 HD1 TYR 6 HD1 TYR 6 -27.988 -8.304 11.749 46 HD2 TYR 6 HD2 TYR 6 -27.597 -4.492 13.691 47 HE1 TYR 6 HE1 TYR 6 -28.292 -7.173 9.575 48 HE2 TYR 6 HE2 TYR 6 -27.903 -3.355 11.503 49 HH TYR 6 HH TYR 6 -28.890 -3.829 9.314 50 H ILE 7 HN ILE 7 -23.857 -6.513 13.886 51 HA ILE 7 HA ILE 7 -24.046 -4.338 15.882 52 HB ILE 7 HB ILE 7 -21.594 -5.948 15.090 53 HG12 ILE 7 HG12 ILE 7 -22.937 -5.747 17.807 54 HG13 ILE 7 HG11 ILE 7 -23.332 -7.020 16.646 55 HG21 ILE 7 HG21 ILE 7 -20.959 -3.627 15.560 56 HG22 ILE 7 HG22 ILE 7 -20.489 -4.624 16.938 57 HG23 ILE 7 HG23 ILE 7 -21.937 -3.620 17.028 58 HD11 ILE 7 HD11 ILE 7 -21.520 -7.506 18.451 59 HD12 ILE 7 HD12 ILE 7 -20.463 -6.516 17.452 60 HD13 ILE 7 HD13 ILE 7 -21.185 -7.981 16.788 61 H THR 8 HN THR 8 -23.786 -2.338 15.130 62 HA THR 8 HA THR 8 -22.909 -1.969 12.339 63 HB THR 8 HB THR 8 -24.431 -0.068 14.168 64 HG1 THR 8 HG1 THR 8 -25.262 -1.685 11.987 65 HG21 THR 8 HG21 THR 8 -24.859 1.155 12.029 66 HG22 THR 8 HG22 THR 8 -23.737 0.065 11.216 67 HG23 THR 8 HG23 THR 8 -23.155 1.148 12.482 68 H TYR 9 HN TYR 9 -20.973 -1.116 11.960 69 HA TYR 9 HA TYR 9 -19.200 -0.507 14.095 70 HB2 TYR 9 HB2 TYR 9 -17.544 -0.066 12.330 71 HB3 TYR 9 HB1 TYR 9 -18.423 -1.563 12.021 72 HD1 TYR 9 HD1 TYR 9 -18.057 1.992 11.014 73 HD2 TYR 9 HD2 TYR 9 -19.904 -1.783 10.132 74 HE1 TYR 9 HE1 TYR 9 -18.776 2.858 8.803 75 HE2 TYR 9 HE2 TYR 9 -20.618 -0.918 7.922 76 HH TYR 9 HH TYR 9 -20.107 0.775 6.363 77 HA PRO 10 HA PRO 10 -19.728 3.942 14.394 78 HB2 PRO 10 HB2 PRO 10 -17.476 4.706 15.591 79 HB3 PRO 10 HB1 PRO 10 -18.640 3.642 16.417 80 HG2 PRO 10 HG2 PRO 10 -16.084 2.929 15.049 81 HG3 PRO 10 HG1 PRO 10 -16.725 2.367 16.603 82 HD2 PRO 10 HD2 PRO 10 -16.946 0.924 14.267 83 HD3 PRO 10 HD1 PRO 10 -18.081 0.773 15.630 84 H ALA 11 HN ALA 11 -18.822 6.034 13.702 85 HA ALA 11 HA ALA 11 -16.737 5.915 11.637 86 HB1 ALA 11 HB1 ALA 11 -18.697 5.840 10.295 87 HB2 ALA 11 HB2 ALA 11 -18.156 7.518 10.260 88 HB3 ALA 11 HB3 ALA 11 -19.515 7.051 11.283 89 H ILE 12 HN ILE 12 -15.498 7.771 11.466 90 HA ILE 12 HA ILE 12 -15.826 9.693 13.669 91 HB ILE 12 HB ILE 12 -13.299 9.771 12.031 92 HG12 ILE 12 HG12 ILE 12 -12.504 7.847 13.850 93 HG13 ILE 12 HG11 ILE 12 -14.170 7.335 13.586 94 HG21 ILE 12 HG21 ILE 12 -14.007 11.092 14.247 95 HG22 ILE 12 HG22 ILE 12 -12.338 10.625 13.957 96 HG23 ILE 12 HG23 ILE 12 -13.343 9.665 15.036 97 HD11 ILE 12 HD11 ILE 12 -11.930 7.560 11.567 98 HD12 ILE 12 HD12 ILE 12 -13.618 7.501 11.062 99 HD13 ILE 12 HD13 ILE 12 -12.918 6.152 11.954 100 H ASP 13 HN ASP 13 -14.164 11.804 12.460 101 HA ASP 13 HA ASP 13 -16.235 13.057 10.819 102 HB2 ASP 13 HB2 ASP 13 -13.759 14.214 12.112 103 HB3 ASP 13 HB1 ASP 13 -14.990 15.139 11.253 104 H ARG 14 HN ARG 14 -13.858 11.072 9.994 105 HA ARG 14 HA ARG 14 -12.180 12.427 8.212 106 HB2 ARG 14 HB2 ARG 14 -13.167 9.576 8.232 107 HB3 ARG 14 HB1 ARG 14 -11.911 10.173 7.147 108 HG2 ARG 14 HG2 ARG 14 -10.565 10.880 9.086 109 HG3 ARG 14 HG1 ARG 14 -11.814 10.277 10.173 110 HD2 ARG 14 HD2 ARG 14 -11.525 8.006 9.267 111 HD3 ARG 14 HD1 ARG 14 -10.278 8.597 8.172 112 HE ARG 14 HE ARG 14 -10.004 8.125 11.037 113 HH11 ARG 14 HH11 ARG 14 -8.634 9.671 8.193 114 HH12 ARG 14 HH12 ARG 14 -7.053 9.814 8.884 115 HH21 ARG 14 HH21 ARG 14 -7.925 8.354 11.906 116 HH22 ARG 14 HH22 ARG 14 -6.657 9.075 10.973 117 H GLY 15 HN GLY 15 -12.309 12.950 6.090 118 HA2 GLY 15 HA2 GLY 15 -14.815 12.379 4.639 119 HA3 GLY 15 HA1 GLY 15 -14.179 14.020 4.705 120 H ASP 16 HN ASP 16 -14.613 12.237 2.394 121 HA ASP 16 HA ASP 16 -11.868 11.754 1.454 122 HB2 ASP 16 HB2 ASP 16 -14.522 10.966 0.236 123 HB3 ASP 16 HB1 ASP 16 -12.932 10.512 -0.376 124 H HIS 17 HN HIS 17 -10.889 13.244 0.279 125 HA HIS 17 HA HIS 17 -12.200 15.558 -0.766 126 HB2 HIS 17 HB2 HIS 17 -9.797 15.480 -0.019 127 HB3 HIS 17 HB1 HIS 17 -9.432 14.525 -1.455 128 HD2 HIS 17 HD2 HIS 17 -8.718 16.130 -3.578 129 HE1 HIS 17 HE1 HIS 17 -10.697 19.665 -2.394 130 HE2 HIS 17 HE2 HIS 17 -9.195 18.629 -4.157 131 H ALA 18 HN ALA 18 -12.674 16.108 -2.900 132 HA ALA 18 HA ALA 18 -13.693 14.122 -4.574 133 HB1 ALA 18 HB1 ALA 18 -12.708 16.770 -5.624 134 HB2 ALA 18 HB2 ALA 18 -14.141 16.655 -4.603 135 HB3 ALA 18 HB3 ALA 18 -14.096 15.821 -6.155 136 H VAL 19 HN VAL 19 -12.935 13.003 -6.307 137 HA VAL 19 HA VAL 19 -10.035 12.766 -6.518 138 HB VAL 19 HB VAL 19 -10.507 10.741 -7.847 139 HG11 VAL 19 HG11 VAL 19 -11.994 11.009 -5.224 140 HG12 VAL 19 HG12 VAL 19 -10.313 10.526 -5.445 141 HG13 VAL 19 HG13 VAL 19 -11.612 9.469 -5.996 142 HG21 VAL 19 HG21 VAL 19 -12.818 9.962 -8.132 143 HG22 VAL 19 HG22 VAL 19 -12.652 11.559 -8.859 144 HG23 VAL 19 HG23 VAL 19 -13.431 11.386 -7.288 145 H HIS 20 HN HIS 20 -11.794 14.969 -7.853 146 HA HIS 20 HA HIS 20 -11.669 14.715 -10.648 147 HB2 HIS 20 HB2 HIS 20 -12.858 16.473 -9.159 148 HB3 HIS 20 HB1 HIS 20 -11.322 17.328 -9.177 149 HD2 HIS 20 HD2 HIS 20 -11.430 19.208 -11.175 150 HE1 HIS 20 HE1 HIS 20 -13.805 17.064 -13.927 151 HE2 HIS 20 HE2 HIS 20 -12.620 19.263 -13.500 152 H CYS 21 HN CYS 21 -10.044 15.066 -12.149 153 HA CYS 21 HA CYS 21 -7.313 15.231 -11.142 154 HB2 CYS 21 HB2 CYS 21 -8.385 14.811 -13.939 155 HB3 CYS 21 HB1 CYS 21 -6.678 14.728 -13.494 156 H ASP 22 HN ASP 22 -5.764 16.794 -11.727 157 HA ASP 22 HA ASP 22 -6.769 19.450 -12.055 158 HB2 ASP 22 HB2 ASP 22 -4.692 18.717 -10.736 159 HB3 ASP 22 HB1 ASP 22 -3.905 18.535 -12.289 160 H LYS 23 HN LYS 23 -6.922 20.648 -13.898 161 HA LYS 23 HA LYS 23 -6.553 19.385 -16.458 162 HB2 LYS 23 HB2 LYS 23 -7.599 21.994 -15.480 163 HB3 LYS 23 HB1 LYS 23 -6.846 22.062 -17.068 164 HG2 LYS 23 HG2 LYS 23 -9.179 21.596 -17.432 165 HG3 LYS 23 HG1 LYS 23 -8.312 20.090 -17.732 166 HD2 LYS 23 HD2 LYS 23 -8.856 19.306 -15.468 167 HD3 LYS 23 HD1 LYS 23 -9.701 20.820 -15.135 168 HE2 LYS 23 HE2 LYS 23 -11.283 20.345 -16.974 169 HE3 LYS 23 HE1 LYS 23 -10.442 18.829 -17.304 170 HZ1 LYS 23 HZ1 LYS 23 -12.531 19.046 -15.666 171 HZ2 LYS 23 HZ2 LYS 23 -11.257 19.224 -14.554 172 HZ3 LYS 23 HZ3 LYS 23 -11.352 17.837 -15.530 173 H ALA 24 HN ALA 24 -4.548 21.265 -14.385 174 HA ALA 24 HA ALA 24 -2.603 21.865 -16.503 175 HB1 ALA 24 HB1 ALA 24 -3.278 23.565 -14.709 176 HB2 ALA 24 HB2 ALA 24 -1.549 23.332 -14.975 177 HB3 ALA 24 HB3 ALA 24 -2.338 22.581 -13.587 178 H HIS 25 HN HIS 25 -3.147 19.775 -13.767 179 HA HIS 25 HA HIS 25 -0.638 18.364 -14.357 180 HB2 HIS 25 HB2 HIS 25 -1.778 19.119 -11.663 181 HB3 HIS 25 HB1 HIS 25 -0.565 17.865 -11.852 182 HD2 HIS 25 HD2 HIS 25 -0.690 21.638 -11.385 183 HE1 HIS 25 HE1 HIS 25 3.087 20.858 -13.105 184 HE2 HIS 25 HE2 HIS 25 1.666 22.616 -11.949 185 HA PRO 26 HA PRO 26 -4.497 15.554 -14.186 186 HB2 PRO 26 HB2 PRO 26 -4.752 14.894 -16.780 187 HB3 PRO 26 HB1 PRO 26 -5.478 16.371 -16.104 188 HG2 PRO 26 HG2 PRO 26 -2.933 16.046 -17.608 189 HG3 PRO 26 HG1 PRO 26 -4.226 17.239 -17.852 190 HD2 PRO 26 HD2 PRO 26 -1.974 17.854 -16.489 191 HD3 PRO 26 HD1 PRO 26 -3.553 18.541 -16.046 192 H ASN 27 HN ASN 27 -1.333 15.485 -15.643 193 HA ASN 27 HA ASN 27 -1.184 12.679 -16.150 194 HB2 ASN 27 HB2 ASN 27 1.141 13.059 -16.657 195 HB3 ASN 27 HB1 ASN 27 0.189 14.369 -17.346 196 HD21 ASN 27 HD21 ASN 27 2.982 14.687 -16.788 197 HD22 ASN 27 HD22 ASN 27 3.156 15.820 -15.536 198 H THR 28 HN THR 28 -0.921 14.520 -13.248 199 HA THR 28 HA THR 28 0.460 12.260 -11.915 200 HB THR 28 HB THR 28 1.643 14.376 -11.593 201 HG1 THR 28 HG1 THR 28 1.998 13.785 -9.624 202 HG21 THR 28 HG21 THR 28 0.635 16.272 -10.524 203 HG22 THR 28 HG22 THR 28 -0.851 15.372 -10.209 204 HG23 THR 28 HG23 THR 28 -0.410 15.800 -11.864 205 H CYS 29 HN CYS 29 -2.578 13.158 -12.576 206 HA CYS 29 HA CYS 29 -3.949 13.145 -10.123 207 HB2 CYS 29 HB2 CYS 29 -4.916 13.846 -12.310 208 HB3 CYS 29 HB1 CYS 29 -4.888 12.161 -12.824 209 H LYS 30 HN LYS 30 -4.675 11.498 -8.838 210 HA LYS 30 HA LYS 30 -3.433 8.927 -9.232 211 HB2 LYS 30 HB2 LYS 30 -4.832 10.260 -6.915 212 HB3 LYS 30 HB1 LYS 30 -4.386 8.562 -6.891 213 HG2 LYS 30 HG2 LYS 30 -2.513 9.551 -5.919 214 HG3 LYS 30 HG1 LYS 30 -2.001 9.400 -7.595 215 HD2 LYS 30 HD2 LYS 30 -2.528 11.725 -8.024 216 HD3 LYS 30 HD1 LYS 30 -3.275 11.900 -6.441 217 HE2 LYS 30 HE2 LYS 30 -0.386 11.106 -6.804 218 HE3 LYS 30 HE1 LYS 30 -0.898 12.787 -6.640 219 HZ1 LYS 30 HZ1 LYS 30 -1.100 10.592 -4.672 220 HZ2 LYS 30 HZ2 LYS 30 -2.094 11.967 -4.559 221 HZ3 LYS 30 HZ3 LYS 30 -0.404 12.126 -4.482 222 H LYS 31 HN LYS 31 -4.438 7.225 -9.868 223 HA LYS 31 HA LYS 31 -6.028 5.855 -10.641 224 HB2 LYS 31 HB2 LYS 31 -7.644 7.019 -8.381 225 HB3 LYS 31 HB1 LYS 31 -8.018 5.521 -9.212 226 HG2 LYS 31 HG2 LYS 31 -5.411 6.033 -7.787 227 HG3 LYS 31 HG1 LYS 31 -6.811 5.311 -6.989 228 HD2 LYS 31 HD2 LYS 31 -6.848 3.530 -8.699 229 HD3 LYS 31 HD1 LYS 31 -5.412 4.230 -9.444 230 HE2 LYS 31 HE2 LYS 31 -4.799 2.426 -8.006 231 HE3 LYS 31 HE1 LYS 31 -4.181 3.923 -7.318 232 HZ1 LYS 31 HZ1 LYS 31 -5.742 3.881 -5.635 233 HZ2 LYS 31 HZ2 LYS 31 -5.427 2.219 -5.818 234 HZ3 LYS 31 HZ3 LYS 31 -6.827 2.905 -6.500 235 H LYS 32 HN LYS 32 -8.431 5.710 -11.370 236 HA LYS 32 HA LYS 32 -9.354 8.280 -12.466 237 HB2 LYS 32 HB2 LYS 32 -9.022 5.773 -14.137 238 HB3 LYS 32 HB1 LYS 32 -9.622 7.329 -14.699 239 HG2 LYS 32 HG2 LYS 32 -6.854 6.943 -13.526 240 HG3 LYS 32 HG1 LYS 32 -7.182 6.879 -15.252 241 HD2 LYS 32 HD2 LYS 32 -8.022 9.176 -15.212 242 HD3 LYS 32 HD1 LYS 32 -7.787 9.261 -13.466 243 HE2 LYS 32 HE2 LYS 32 -5.390 8.865 -13.763 244 HE3 LYS 32 HE1 LYS 32 -5.608 8.795 -15.517 245 HZ1 LYS 32 HZ1 LYS 32 -4.879 11.004 -14.577 246 HZ2 LYS 32 HZ2 LYS 32 -6.431 11.135 -13.900 247 HZ3 LYS 32 HZ3 LYS 32 -6.241 11.043 -15.587 248 H GLN 33 HN GLN 33 -9.985 4.863 -12.147 249 HA GLN 33 HA GLN 33 -12.838 5.072 -12.414 250 HB2 GLN 33 HB2 GLN 33 -12.790 2.677 -11.619 251 HB3 GLN 33 HB1 GLN 33 -11.833 2.991 -13.063 252 HG2 GLN 33 HG2 GLN 33 -10.184 3.408 -10.682 253 HG3 GLN 33 HG1 GLN 33 -10.933 1.809 -10.626 254 HE21 GLN 33 HE21 GLN 33 -9.087 0.557 -11.198 255 HE22 GLN 33 HE22 GLN 33 -8.279 0.715 -12.683 256 H ALA 34 HN ALA 34 -14.294 4.240 -10.700 257 HA ALA 34 HA ALA 34 -13.432 4.601 -7.944 258 HB1 ALA 34 HB1 ALA 34 -14.926 6.346 -7.377 259 HB2 ALA 34 HB2 ALA 34 -15.789 6.220 -8.909 260 HB3 ALA 34 HB3 ALA 34 -14.156 6.887 -8.867 261 H ASN 35 HN ASN 35 -14.682 3.465 -6.490 262 HA ASN 35 HA ASN 35 -16.364 1.419 -7.588 263 HB2 ASN 35 HB2 ASN 35 -15.782 2.150 -4.715 264 HB3 ASN 35 HB1 ASN 35 -16.669 0.726 -5.225 265 HD21 ASN 35 HD21 ASN 35 -14.976 -0.684 -4.305 266 HD22 ASN 35 HD22 ASN 35 -13.489 -0.881 -5.101 267 HA PRO 36 HA PRO 36 -20.276 3.524 -7.081 268 HB2 PRO 36 HB2 PRO 36 -22.018 1.499 -7.130 269 HB3 PRO 36 HB1 PRO 36 -21.035 1.903 -8.557 270 HG2 PRO 36 HG2 PRO 36 -20.627 -0.253 -6.544 271 HG3 PRO 36 HG1 PRO 36 -20.477 -0.316 -8.308 272 HD2 PRO 36 HD2 PRO 36 -18.334 -0.049 -6.630 273 HD3 PRO 36 HD1 PRO 36 -18.348 0.538 -8.306 274 H TYR 37 HN TYR 37 -19.261 1.090 -4.813 275 HA TYR 37 HA TYR 37 -21.369 1.249 -2.940 276 HB2 TYR 37 HB2 TYR 37 -19.796 -0.641 -3.055 277 HB3 TYR 37 HB1 TYR 37 -18.481 0.420 -2.554 278 HD1 TYR 37 HD1 TYR 37 -21.781 -0.965 -1.484 279 HD2 TYR 37 HD2 TYR 37 -18.106 0.873 -0.237 280 HE1 TYR 37 HE1 TYR 37 -22.387 -1.368 0.885 281 HE2 TYR 37 HE2 TYR 37 -18.710 0.469 2.138 282 HH TYR 37 HH TYR 37 -21.390 -1.537 3.036 283 H ARG 38 HN ARG 38 -21.831 2.686 -1.436 284 HA ARG 38 HA ARG 38 -19.869 4.275 -0.076 285 HB2 ARG 38 HB2 ARG 38 -20.208 5.572 -2.222 286 HB3 ARG 38 HB1 ARG 38 -21.891 5.792 -1.739 287 HG2 ARG 38 HG2 ARG 38 -21.111 6.847 0.346 288 HG3 ARG 38 HG1 ARG 38 -19.448 6.698 -0.228 289 HD2 ARG 38 HD2 ARG 38 -20.216 8.883 -0.788 290 HD3 ARG 38 HD1 ARG 38 -20.115 7.969 -2.278 291 HE ARG 38 HE ARG 38 -22.437 8.097 -2.476 292 HH11 ARG 38 HH11 ARG 38 -21.502 9.136 0.754 293 HH12 ARG 38 HH12 ARG 38 -23.087 9.707 1.154 294 HH21 ARG 38 HH21 ARG 38 -24.490 8.861 -1.901 295 HH22 ARG 38 HH22 ARG 38 -24.760 9.553 -0.335 296 H ARG 39 HN ARG 39 -20.662 5.196 1.789 297 HA ARG 39 HA ARG 39 -23.500 4.733 2.399 298 HB2 ARG 39 HB2 ARG 39 -22.086 2.898 3.356 299 HB3 ARG 39 HB1 ARG 39 -21.224 4.119 4.293 300 HG2 ARG 39 HG2 ARG 39 -23.244 4.754 5.466 301 HG3 ARG 39 HG1 ARG 39 -24.225 3.717 4.431 302 HD2 ARG 39 HD2 ARG 39 -23.076 1.729 5.291 303 HD3 ARG 39 HD1 ARG 39 -22.044 2.738 6.300 304 HE ARG 39 HE ARG 39 -24.678 3.384 6.955 305 HH11 ARG 39 HH11 ARG 39 -22.641 0.522 7.116 306 HH12 ARG 39 HH12 ARG 39 -23.476 -0.136 8.483 307 HH21 ARG 39 HH21 ARG 39 -25.734 2.487 8.731 308 HH22 ARG 39 HH22 ARG 39 -25.218 0.972 9.391 309 H GLY 40 HN GLY 40 -24.462 6.376 3.414 310 HA2 GLY 40 HA2 GLY 40 -23.024 8.838 3.618 311 HA3 GLY 40 HA1 GLY 40 -24.742 8.609 3.946 312 H CYS 41 HN CYS 41 -23.599 10.280 5.536 313 HA CYS 41 HA CYS 41 -22.335 9.183 7.875 314 HB2 CYS 41 HB2 CYS 41 -21.882 11.449 7.110 315 HB3 CYS 41 HB1 CYS 41 -23.577 11.874 7.319 316 H GLY 42 HN GLY 42 -23.297 8.151 9.452 317 HA2 GLY 42 HA2 GLY 42 -26.046 8.873 10.254 318 HA3 GLY 42 HA1 GLY 42 -25.602 7.185 10.029 319 H VAL 43 HN VAL 43 -23.688 9.794 11.418 320 HA VAL 43 HA VAL 43 -22.670 8.275 13.563 321 HB VAL 43 HB VAL 43 -22.925 11.300 13.341 322 HG11 VAL 43 HG11 VAL 43 -21.193 11.469 14.968 323 HG12 VAL 43 HG12 VAL 43 -20.911 9.728 14.949 324 HG13 VAL 43 HG13 VAL 43 -22.399 10.371 15.628 325 HG21 VAL 43 HG21 VAL 43 -21.684 10.138 11.473 326 HG22 VAL 43 HG22 VAL 43 -20.531 9.580 12.690 327 HG23 VAL 43 HG23 VAL 43 -20.742 11.307 12.404 328 H LEU 44 HN LEU 44 -25.369 10.558 13.365 329 HA LEU 44 HA LEU 44 -27.284 10.827 14.596 330 HB2 LEU 44 HB2 LEU 44 -26.280 8.547 16.338 331 HB3 LEU 44 HB1 LEU 44 -27.854 9.310 16.464 332 HG LEU 44 HG LEU 44 -26.888 8.054 13.884 333 HD11 LEU 44 HD11 LEU 44 -28.736 6.770 15.918 334 HD12 LEU 44 HD12 LEU 44 -27.007 6.429 15.855 335 HD13 LEU 44 HD13 LEU 44 -28.032 6.038 14.476 336 HD21 LEU 44 HD21 LEU 44 -29.567 8.965 14.984 337 HD22 LEU 44 HD22 LEU 44 -29.426 7.947 13.551 338 HD23 LEU 44 HD23 LEU 44 -28.738 9.571 13.550 339 H GLU 45 HN GLU 45 -24.134 11.161 15.811 340 HA GLU 45 HA GLU 45 -24.608 12.279 18.383 341 HB2 GLU 45 HB2 GLU 45 -22.339 12.482 16.409 342 HB3 GLU 45 HB1 GLU 45 -22.291 13.297 17.975 343 HG2 GLU 45 HG2 GLU 45 -22.520 11.187 19.156 344 HG3 GLU 45 HG1 GLU 45 -22.811 10.319 17.659 345 H GLY 46 HN GLY 46 -24.477 13.599 15.157 346 HA2 GLY 46 HA2 GLY 46 -26.183 15.623 15.236 347 HA3 GLY 46 HA1 GLY 46 -24.789 16.370 16.031 348 H CYS 47 HN CYS 47 -24.839 14.006 13.458 349 HA CYS 47 HA CYS 47 -22.920 15.266 11.848 350 HB2 CYS 47 HB2 CYS 47 -23.494 12.868 11.901 351 HB3 CYS 47 HB1 CYS 47 -24.988 13.237 11.045 352 H HIS 48 HN HIS 48 -26.446 15.189 11.705 353 HA HIS 48 HA HIS 48 -26.804 16.455 9.234 354 HB2 HIS 48 HB2 HIS 48 -28.563 15.269 10.584 355 HB3 HIS 48 HB1 HIS 48 -28.613 16.679 11.642 356 HD2 HIS 48 HD2 HIS 48 -29.919 15.586 8.140 357 HE1 HIS 48 HE1 HIS 48 -30.981 19.639 8.665 358 HE2 HIS 48 HE2 HIS 48 -31.291 17.592 7.190 359 H ARG 49 HN ARG 49 -26.469 17.809 12.506 360 HA ARG 49 HA ARG 49 -25.940 19.907 13.260 361 HB2 ARG 49 HB2 ARG 49 -24.064 19.709 11.617 362 HB3 ARG 49 HB1 ARG 49 -25.086 20.467 10.398 363 HG2 ARG 49 HG2 ARG 49 -25.299 22.475 11.828 364 HG3 ARG 49 HG1 ARG 49 -24.265 21.717 13.039 365 HD2 ARG 49 HD2 ARG 49 -22.430 21.583 11.403 366 HD3 ARG 49 HD1 ARG 49 -23.457 22.332 10.186 367 HE ARG 49 HE ARG 49 -23.374 24.016 12.456 368 HH11 ARG 49 HH11 ARG 49 -21.253 22.904 9.887 369 HH12 ARG 49 HH12 ARG 49 -20.273 24.334 9.910 370 HH21 ARG 49 HH21 ARG 49 -22.078 25.869 12.444 371 HH22 ARG 49 HH22 ARG 49 -20.739 26.001 11.352 372 H GLU 50 HN GLU 50 -28.189 20.254 13.652 373 HA GLU 50 HA GLU 50 -29.755 21.776 11.693 374 HB2 GLU 50 HB2 GLU 50 -30.396 21.004 14.523 375 HB3 GLU 50 HB1 GLU 50 -31.542 21.647 13.350 376 HG2 GLU 50 HG2 GLU 50 -31.163 19.674 11.880 377 HG3 GLU 50 HG1 GLU 50 -30.078 18.993 13.088 378 H THR 51 HN THR 51 -28.689 22.119 15.062 379 HA THR 51 HA THR 51 -28.415 23.891 16.426 380 HB THR 51 HB THR 51 -27.206 25.784 15.477 381 HG1 THR 51 HG1 THR 51 -26.563 25.466 13.212 382 HG21 THR 51 HG21 THR 51 -26.202 23.070 14.614 383 HG22 THR 51 HG22 THR 51 -25.979 23.802 16.202 384 HG23 THR 51 HG23 THR 51 -25.198 24.510 14.788 385 H GLY 52 HN GLY 52 -30.503 24.306 17.016 386 HA2 GLY 52 HA2 GLY 52 -31.860 26.460 15.543 387 HA3 GLY 52 HA1 GLY 52 -32.727 25.124 16.283 388 HA PRO 53 HA PRO 53 -31.538 28.503 19.553 389 HB2 PRO 53 HB2 PRO 53 -33.273 30.559 19.257 390 HB3 PRO 53 HB1 PRO 53 -31.711 30.506 18.407 391 HG2 PRO 53 HG2 PRO 53 -34.429 29.801 17.396 392 HG3 PRO 53 HG1 PRO 53 -33.150 30.750 16.616 393 HD2 PRO 53 HD2 PRO 53 -33.574 28.138 16.006 394 HD3 PRO 53 HD1 PRO 53 -31.953 28.872 15.957 395 H LYS 54 HN LYS 54 -32.761 28.838 21.531 396 HA LYS 54 HA LYS 54 -35.478 27.681 21.555 397 HB2 LYS 54 HB2 LYS 54 -33.265 27.062 23.535 398 HB3 LYS 54 HB1 LYS 54 -34.939 26.530 23.683 399 HG2 LYS 54 HG2 LYS 54 -34.746 25.317 21.542 400 HG3 LYS 54 HG1 LYS 54 -33.071 25.841 21.390 401 HD2 LYS 54 HD2 LYS 54 -32.974 23.631 22.293 402 HD3 LYS 54 HD1 LYS 54 -32.658 24.716 23.649 403 HE2 LYS 54 HE2 LYS 54 -34.986 24.540 24.376 404 HE3 LYS 54 HE1 LYS 54 -35.370 23.519 22.992 405 HZ1 LYS 54 HZ1 LYS 54 -34.062 21.786 23.803 406 HZ2 LYS 54 HZ2 LYS 54 -34.853 22.370 25.190 407 HZ3 LYS 54 HZ3 LYS 54 -33.231 22.784 24.895 408 HA PRO 55 HA PRO 55 -35.326 31.879 23.741 409 HB2 PRO 55 HB2 PRO 55 -37.524 32.939 22.547 410 HB3 PRO 55 HB1 PRO 55 -35.900 33.025 21.825 411 HG2 PRO 55 HG2 PRO 55 -38.120 31.112 21.261 412 HG3 PRO 55 HG1 PRO 55 -37.102 32.020 20.127 413 HD2 PRO 55 HD2 PRO 55 -36.591 29.437 20.667 414 HD3 PRO 55 HD1 PRO 55 -35.268 30.605 20.419 415 H THR 56 HN THR 56 -37.709 29.398 23.214 416 HA THR 56 HA THR 56 -39.896 30.137 24.674 417 HB THR 56 HB THR 56 -39.763 28.030 23.423 418 HG1 THR 56 HG1 THR 56 -40.257 27.547 26.169 419 HG21 THR 56 HG21 THR 56 -38.058 27.009 25.714 420 HG22 THR 56 HG22 THR 56 -37.431 27.434 24.122 421 HG23 THR 56 HG23 THR 56 -38.567 26.096 24.292 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 -45.900 8.584 -13.727 2 H2 GLU 1 HT2 GLU 1 -47.248 9.373 -13.055 3 H3 GLU 1 HT3 GLU 1 -47.457 7.964 -13.981 4 HA GLU 1 HA GLU 1 -46.550 6.590 -12.358 5 HB2 GLU 1 HB2 GLU 1 -45.507 7.587 -10.260 6 HB3 GLU 1 HB1 GLU 1 -44.582 7.843 -11.735 7 HG2 GLU 1 HG2 GLU 1 -45.691 10.118 -11.925 8 HG3 GLU 1 HG1 GLU 1 -46.355 9.859 -10.315 9 H ALA 2 HN ALA 2 -48.859 6.359 -12.490 10 HA ALA 2 HA ALA 2 -50.672 7.873 -10.897 11 HB1 ALA 2 HB1 ALA 2 -52.298 6.133 -11.440 12 HB2 ALA 2 HB2 ALA 2 -51.006 5.092 -12.036 13 HB3 ALA 2 HB3 ALA 2 -51.386 6.596 -12.877 14 H SER 3 HN SER 3 -48.459 5.363 -10.096 15 HA SER 3 HA SER 3 -49.782 4.027 -8.018 16 HB2 SER 3 HB2 SER 3 -46.837 4.581 -8.415 17 HB3 SER 3 HB1 SER 3 -47.481 3.503 -7.181 18 HG SER 3 HG SER 3 -47.075 2.244 -8.940 19 H VAL 4 HN VAL 4 -47.896 7.027 -7.983 20 HA VAL 4 HA VAL 4 -47.395 8.513 -6.301 21 HB VAL 4 HB VAL 4 -49.431 9.420 -5.153 22 HG11 VAL 4 HG11 VAL 4 -49.779 8.901 -8.114 23 HG12 VAL 4 HG12 VAL 4 -48.723 10.135 -7.423 24 HG13 VAL 4 HG13 VAL 4 -50.469 10.240 -7.194 25 HG21 VAL 4 HG21 VAL 4 -51.624 8.495 -5.654 26 HG22 VAL 4 HG22 VAL 4 -50.635 7.187 -5.008 27 HG23 VAL 4 HG23 VAL 4 -50.921 7.300 -6.744 28 H ARG 5 HN ARG 5 -46.176 6.552 -5.389 29 HA ARG 5 HA ARG 5 -47.095 5.190 -3.116 30 HB2 ARG 5 HB2 ARG 5 -45.128 4.495 -4.460 31 HB3 ARG 5 HB1 ARG 5 -44.238 5.889 -3.858 32 HG2 ARG 5 HG2 ARG 5 -44.317 5.056 -1.594 33 HG3 ARG 5 HG1 ARG 5 -45.427 3.761 -2.050 34 HD2 ARG 5 HD2 ARG 5 -43.154 2.874 -1.852 35 HD3 ARG 5 HD1 ARG 5 -43.676 2.815 -3.533 36 HE ARG 5 HE ARG 5 -42.285 5.255 -2.986 37 HH11 ARG 5 HH11 ARG 5 -41.712 1.835 -3.539 38 HH12 ARG 5 HH12 ARG 5 -40.114 2.077 -4.159 39 HH21 ARG 5 HH21 ARG 5 -40.204 5.531 -3.813 40 HH22 ARG 5 HH22 ARG 5 -39.266 4.162 -4.315 41 H TYR 6 HN TYR 6 -47.283 5.756 -1.023 42 HA TYR 6 HA TYR 6 -46.949 8.480 -0.210 43 HB2 TYR 6 HB2 TYR 6 -47.758 5.972 1.264 44 HB3 TYR 6 HB1 TYR 6 -47.668 7.559 2.027 45 HD1 TYR 6 HD1 TYR 6 -49.468 5.464 -0.397 46 HD2 TYR 6 HD2 TYR 6 -49.212 9.358 1.398 47 HE1 TYR 6 HE1 TYR 6 -51.720 6.017 -1.278 48 HE2 TYR 6 HE2 TYR 6 -51.463 9.911 0.517 49 HH TYR 6 HH TYR 6 -53.529 8.611 -0.193 50 H ILE 7 HN ILE 7 -45.139 5.508 0.098 51 HA ILE 7 HA ILE 7 -43.506 6.392 2.222 52 HB ILE 7 HB ILE 7 -42.988 4.151 0.249 53 HG12 ILE 7 HG12 ILE 7 -45.159 3.809 1.407 54 HG13 ILE 7 HG11 ILE 7 -43.973 2.640 1.983 55 HG21 ILE 7 HG21 ILE 7 -41.782 4.740 2.964 56 HG22 ILE 7 HG22 ILE 7 -40.948 4.672 1.411 57 HG23 ILE 7 HG23 ILE 7 -41.603 3.198 2.126 58 HD11 ILE 7 HD11 ILE 7 -43.545 4.229 3.950 59 HD12 ILE 7 HD12 ILE 7 -45.133 3.461 3.936 60 HD13 ILE 7 HD13 ILE 7 -44.961 5.136 3.415 61 H THR 8 HN THR 8 -42.047 7.970 2.054 62 HA THR 8 HA THR 8 -40.319 8.109 -0.336 63 HB THR 8 HB THR 8 -41.553 10.505 1.072 64 HG1 THR 8 HG1 THR 8 -42.960 9.256 -0.299 65 HG21 THR 8 HG21 THR 8 -39.351 11.049 0.209 66 HG22 THR 8 HG22 THR 8 -40.555 11.742 -0.878 67 HG23 THR 8 HG23 THR 8 -39.712 10.258 -1.324 68 H TYR 9 HN TYR 9 -38.192 8.182 0.154 69 HA TYR 9 HA TYR 9 -37.444 8.410 2.974 70 HB2 TYR 9 HB2 TYR 9 -35.251 7.502 2.265 71 HB3 TYR 9 HB1 TYR 9 -36.589 6.454 1.786 72 HD1 TYR 9 HD1 TYR 9 -34.028 8.838 0.594 73 HD2 TYR 9 HD2 TYR 9 -37.211 6.194 -0.557 74 HE1 TYR 9 HE1 TYR 9 -33.298 8.985 -1.772 75 HE2 TYR 9 HE2 TYR 9 -36.481 6.341 -2.921 76 HH TYR 9 HH TYR 9 -34.178 6.876 -4.101 77 HA PRO 10 HA PRO 10 -35.728 12.519 2.451 78 HB2 PRO 10 HB2 PRO 10 -33.980 12.683 4.483 79 HB3 PRO 10 HB1 PRO 10 -35.735 12.587 4.767 80 HG2 PRO 10 HG2 PRO 10 -33.683 10.423 4.918 81 HG3 PRO 10 HG1 PRO 10 -35.003 10.801 6.043 82 HD2 PRO 10 HD2 PRO 10 -35.197 8.817 4.181 83 HD3 PRO 10 HD1 PRO 10 -36.607 9.749 4.741 84 H ALA 11 HN ALA 11 -33.770 13.688 1.880 85 HA ALA 11 HA ALA 11 -31.669 11.979 0.722 86 HB1 ALA 11 HB1 ALA 11 -31.233 13.772 -0.834 87 HB2 ALA 11 HB2 ALA 11 -32.340 14.844 0.023 88 HB3 ALA 11 HB3 ALA 11 -32.967 13.444 -0.847 89 H ILE 12 HN ILE 12 -29.607 12.195 1.384 90 HA ILE 12 HA ILE 12 -28.980 14.332 3.326 91 HB ILE 12 HB ILE 12 -27.887 11.506 3.227 92 HG12 ILE 12 HG12 ILE 12 -30.254 11.497 3.983 93 HG13 ILE 12 HG11 ILE 12 -29.182 11.100 5.320 94 HG21 ILE 12 HG21 ILE 12 -27.494 13.645 5.344 95 HG22 ILE 12 HG22 ILE 12 -26.299 13.201 4.125 96 HG23 ILE 12 HG23 ILE 12 -26.789 12.028 5.347 97 HD11 ILE 12 HD11 ILE 12 -30.954 12.693 6.032 98 HD12 ILE 12 HD12 ILE 12 -30.423 13.838 4.800 99 HD13 ILE 12 HD13 ILE 12 -29.358 13.439 6.149 100 H ASP 13 HN ASP 13 -27.086 15.426 3.026 101 HA ASP 13 HA ASP 13 -25.953 15.493 0.435 102 HB2 ASP 13 HB2 ASP 13 -24.190 16.966 1.543 103 HB3 ASP 13 HB1 ASP 13 -25.859 17.504 1.678 104 H ARG 14 HN ARG 14 -25.504 13.252 0.181 105 HA ARG 14 HA ARG 14 -23.688 11.706 1.644 106 HB2 ARG 14 HB2 ARG 14 -24.503 11.679 -1.251 107 HB3 ARG 14 HB1 ARG 14 -23.500 10.429 -0.533 108 HG2 ARG 14 HG2 ARG 14 -26.101 11.130 0.851 109 HG3 ARG 14 HG1 ARG 14 -26.190 10.225 -0.651 110 HD2 ARG 14 HD2 ARG 14 -26.155 8.704 1.228 111 HD3 ARG 14 HD1 ARG 14 -24.673 8.513 0.294 112 HE ARG 14 HE ARG 14 -23.459 9.469 2.087 113 HH11 ARG 14 HH11 ARG 14 -26.911 9.507 2.787 114 HH12 ARG 14 HH12 ARG 14 -26.681 9.886 4.458 115 HH21 ARG 14 HH21 ARG 14 -23.226 9.983 4.277 116 HH22 ARG 14 HH22 ARG 14 -24.618 10.155 5.292 117 H GLY 15 HN GLY 15 -23.209 13.750 -1.190 118 HA2 GLY 15 HA2 GLY 15 -21.372 14.866 -1.921 119 HA3 GLY 15 HA1 GLY 15 -20.456 14.280 -0.535 120 H ASP 16 HN ASP 16 -19.083 14.358 -2.787 121 HA ASP 16 HA ASP 16 -19.130 11.640 -3.948 122 HB2 ASP 16 HB2 ASP 16 -19.375 13.503 -5.564 123 HB3 ASP 16 HB1 ASP 16 -17.832 14.154 -5.027 124 H HIS 17 HN HIS 17 -17.797 10.353 -2.824 125 HA HIS 17 HA HIS 17 -15.423 11.364 -1.522 126 HB2 HIS 17 HB2 HIS 17 -16.892 9.514 -0.599 127 HB3 HIS 17 HB1 HIS 17 -16.249 8.471 -1.866 128 HD2 HIS 17 HD2 HIS 17 -15.133 9.969 1.552 129 HE1 HIS 17 HE1 HIS 17 -11.877 7.774 0.005 130 HE2 HIS 17 HE2 HIS 17 -12.763 8.995 2.048 131 H ALA 18 HN ALA 18 -14.711 12.193 -3.736 132 HA ALA 18 HA ALA 18 -12.598 10.471 -4.705 133 HB1 ALA 18 HB1 ALA 18 -14.840 11.312 -6.555 134 HB2 ALA 18 HB2 ALA 18 -14.389 9.664 -6.122 135 HB3 ALA 18 HB3 ALA 18 -13.296 10.651 -7.092 136 H VAL 19 HN VAL 19 -11.091 11.593 -6.090 137 HA VAL 19 HA VAL 19 -11.281 14.547 -5.895 138 HB VAL 19 HB VAL 19 -8.780 12.813 -5.773 139 HG11 VAL 19 HG11 VAL 19 -9.146 15.821 -5.578 140 HG12 VAL 19 HG12 VAL 19 -8.289 14.947 -6.848 141 HG13 VAL 19 HG13 VAL 19 -7.643 14.972 -5.207 142 HG21 VAL 19 HG21 VAL 19 -10.238 12.794 -3.717 143 HG22 VAL 19 HG22 VAL 19 -10.045 14.545 -3.621 144 HG23 VAL 19 HG23 VAL 19 -8.641 13.492 -3.439 145 H HIS 20 HN HIS 20 -11.286 15.606 -7.765 146 HA HIS 20 HA HIS 20 -11.161 14.224 -10.256 147 HB2 HIS 20 HB2 HIS 20 -11.552 16.424 -11.277 148 HB3 HIS 20 HB1 HIS 20 -12.656 16.144 -9.933 149 HD2 HIS 20 HD2 HIS 20 -9.984 18.715 -11.013 150 HE1 HIS 20 HE1 HIS 20 -10.895 19.558 -6.979 151 HE2 HIS 20 HE2 HIS 20 -9.701 20.412 -9.052 152 H CYS 21 HN CYS 21 -9.832 15.126 -12.117 153 HA CYS 21 HA CYS 21 -7.011 15.071 -11.329 154 HB2 CYS 21 HB2 CYS 21 -8.312 14.873 -14.051 155 HB3 CYS 21 HB1 CYS 21 -6.600 14.633 -13.712 156 H ASP 22 HN ASP 22 -5.602 16.759 -11.646 157 HA ASP 22 HA ASP 22 -6.643 19.381 -11.961 158 HB2 ASP 22 HB2 ASP 22 -4.534 18.713 -10.697 159 HB3 ASP 22 HB1 ASP 22 -3.756 18.557 -12.265 160 H LYS 23 HN LYS 23 -6.919 20.587 -13.740 161 HA LYS 23 HA LYS 23 -6.683 19.429 -16.337 162 HB2 LYS 23 HB2 LYS 23 -7.305 22.223 -15.362 163 HB3 LYS 23 HB1 LYS 23 -7.144 21.864 -17.077 164 HG2 LYS 23 HG2 LYS 23 -9.439 21.545 -16.780 165 HG3 LYS 23 HG1 LYS 23 -8.850 19.903 -16.556 166 HD2 LYS 23 HD2 LYS 23 -8.818 20.295 -14.081 167 HD3 LYS 23 HD1 LYS 23 -9.510 21.893 -14.357 168 HE2 LYS 23 HE2 LYS 23 -10.790 19.301 -15.260 169 HE3 LYS 23 HE1 LYS 23 -11.222 20.160 -13.782 170 HZ1 LYS 23 HZ1 LYS 23 -11.668 20.933 -16.579 171 HZ2 LYS 23 HZ2 LYS 23 -11.477 22.150 -15.410 172 HZ3 LYS 23 HZ3 LYS 23 -12.729 21.013 -15.258 173 H ALA 24 HN ALA 24 -4.504 21.205 -14.348 174 HA ALA 24 HA ALA 24 -2.675 21.773 -16.580 175 HB1 ALA 24 HB1 ALA 24 -2.846 23.687 -15.233 176 HB2 ALA 24 HB2 ALA 24 -1.355 22.927 -14.678 177 HB3 ALA 24 HB3 ALA 24 -2.838 22.749 -13.739 178 H HIS 25 HN HIS 25 -3.115 19.753 -13.771 179 HA HIS 25 HA HIS 25 -0.629 18.311 -14.434 180 HB2 HIS 25 HB2 HIS 25 -1.733 18.963 -11.689 181 HB3 HIS 25 HB1 HIS 25 -0.457 17.783 -11.967 182 HD2 HIS 25 HD2 HIS 25 2.080 18.921 -12.171 183 HE1 HIS 25 HE1 HIS 25 0.868 22.946 -12.554 184 HE2 HIS 25 HE2 HIS 25 2.871 21.403 -12.312 185 HA PRO 26 HA PRO 26 -4.551 15.577 -14.285 186 HB2 PRO 26 HB2 PRO 26 -4.653 14.826 -16.887 187 HB3 PRO 26 HB1 PRO 26 -5.437 16.299 -16.278 188 HG2 PRO 26 HG2 PRO 26 -2.821 16.004 -17.668 189 HG3 PRO 26 HG1 PRO 26 -4.120 17.177 -17.962 190 HD2 PRO 26 HD2 PRO 26 -1.936 17.837 -16.521 191 HD3 PRO 26 HD1 PRO 26 -3.540 18.492 -16.132 192 H ASN 27 HN ASN 27 -1.394 15.375 -15.710 193 HA ASN 27 HA ASN 27 -1.133 12.574 -16.005 194 HB2 ASN 27 HB2 ASN 27 0.406 14.296 -16.969 195 HB3 ASN 27 HB1 ASN 27 1.050 14.547 -15.353 196 HD21 ASN 27 HD21 ASN 27 2.229 13.269 -17.944 197 HD22 ASN 27 HD22 ASN 27 2.874 11.801 -17.389 198 H THR 28 HN THR 28 -0.661 14.771 -13.289 199 HA THR 28 HA THR 28 0.597 12.934 -11.548 200 HB THR 28 HB THR 28 -0.948 15.480 -10.934 201 HG1 THR 28 HG1 THR 28 1.786 14.921 -11.432 202 HG21 THR 28 HG21 THR 28 1.159 14.078 -9.264 203 HG22 THR 28 HG22 THR 28 -0.574 13.899 -8.987 204 HG23 THR 28 HG23 THR 28 0.192 15.480 -8.807 205 H CYS 29 HN CYS 29 -2.710 13.920 -12.211 206 HA CYS 29 HA CYS 29 -4.054 12.939 -10.108 207 HB2 CYS 29 HB2 CYS 29 -5.135 14.198 -11.851 208 HB3 CYS 29 HB1 CYS 29 -4.933 12.867 -12.983 209 H LYS 30 HN LYS 30 -4.845 11.018 -9.402 210 HA LYS 30 HA LYS 30 -3.425 8.665 -9.979 211 HB2 LYS 30 HB2 LYS 30 -6.039 9.019 -8.495 212 HB3 LYS 30 HB1 LYS 30 -5.030 7.577 -8.447 213 HG2 LYS 30 HG2 LYS 30 -3.898 10.289 -7.730 214 HG3 LYS 30 HG1 LYS 30 -4.755 9.327 -6.534 215 HD2 LYS 30 HD2 LYS 30 -2.481 8.164 -8.158 216 HD3 LYS 30 HD1 LYS 30 -2.183 9.051 -6.664 217 HE2 LYS 30 HE2 LYS 30 -4.001 6.630 -6.898 218 HE3 LYS 30 HE1 LYS 30 -2.349 6.595 -6.284 219 HZ1 LYS 30 HZ1 LYS 30 -4.693 7.983 -5.119 220 HZ2 LYS 30 HZ2 LYS 30 -3.099 8.322 -4.640 221 HZ3 LYS 30 HZ3 LYS 30 -3.745 6.765 -4.418 222 H LYS 31 HN LYS 31 -4.026 6.748 -10.918 223 HA LYS 31 HA LYS 31 -6.418 6.747 -12.635 224 HB2 LYS 31 HB2 LYS 31 -3.659 5.797 -13.449 225 HB3 LYS 31 HB1 LYS 31 -5.121 5.618 -14.413 226 HG2 LYS 31 HG2 LYS 31 -4.088 8.301 -13.472 227 HG3 LYS 31 HG1 LYS 31 -3.666 7.612 -15.037 228 HD2 LYS 31 HD2 LYS 31 -6.103 7.483 -15.591 229 HD3 LYS 31 HD1 LYS 31 -6.465 8.282 -14.061 230 HE2 LYS 31 HE2 LYS 31 -4.693 9.451 -16.218 231 HE3 LYS 31 HE1 LYS 31 -6.393 9.865 -15.997 232 HZ1 LYS 31 HZ1 LYS 31 -5.835 10.537 -13.704 233 HZ2 LYS 31 HZ2 LYS 31 -5.042 11.474 -14.881 234 HZ3 LYS 31 HZ3 LYS 31 -4.196 10.264 -14.039 235 H LYS 32 HN LYS 32 -7.233 4.649 -13.162 236 HA LYS 32 HA LYS 32 -6.368 2.533 -11.269 237 HB2 LYS 32 HB2 LYS 32 -9.243 3.223 -11.942 238 HB3 LYS 32 HB1 LYS 32 -8.690 2.005 -10.800 239 HG2 LYS 32 HG2 LYS 32 -8.090 4.966 -10.519 240 HG3 LYS 32 HG1 LYS 32 -9.402 4.153 -9.682 241 HD2 LYS 32 HD2 LYS 32 -7.785 2.681 -8.543 242 HD3 LYS 32 HD1 LYS 32 -6.455 3.457 -9.403 243 HE2 LYS 32 HE2 LYS 32 -7.058 5.609 -8.413 244 HE3 LYS 32 HE1 LYS 32 -8.375 4.843 -7.520 245 HZ1 LYS 32 HZ1 LYS 32 -6.853 3.555 -6.280 246 HZ2 LYS 32 HZ2 LYS 32 -6.232 5.137 -6.266 247 HZ3 LYS 32 HZ3 LYS 32 -5.553 3.962 -7.288 248 H GLN 33 HN GLN 33 -6.671 0.404 -11.885 249 HA GLN 33 HA GLN 33 -7.762 -0.217 -14.499 250 HB2 GLN 33 HB2 GLN 33 -5.694 -1.311 -15.307 251 HB3 GLN 33 HB1 GLN 33 -5.487 0.429 -15.097 252 HG2 GLN 33 HG2 GLN 33 -4.479 -0.043 -12.833 253 HG3 GLN 33 HG1 GLN 33 -4.538 -1.761 -13.225 254 HE21 GLN 33 HE21 GLN 33 -2.438 0.796 -13.224 255 HE22 GLN 33 HE22 GLN 33 -1.407 0.313 -14.484 256 H ALA 34 HN ALA 34 -6.018 -1.338 -11.661 257 HA ALA 34 HA ALA 34 -6.210 -3.203 -10.333 258 HB1 ALA 34 HB1 ALA 34 -8.323 -4.207 -10.046 259 HB2 ALA 34 HB2 ALA 34 -8.802 -3.882 -11.710 260 HB3 ALA 34 HB3 ALA 34 -8.700 -2.560 -10.550 261 H ASN 35 HN ASN 35 -6.555 -5.667 -10.446 262 HA ASN 35 HA ASN 35 -4.828 -6.660 -12.481 263 HB2 ASN 35 HB2 ASN 35 -6.479 -8.094 -10.402 264 HB3 ASN 35 HB1 ASN 35 -5.286 -8.869 -11.437 265 HD21 ASN 35 HD21 ASN 35 -3.059 -7.446 -11.409 266 HD22 ASN 35 HD22 ASN 35 -2.524 -7.070 -9.842 267 HA PRO 36 HA PRO 36 -7.997 -7.953 -15.354 268 HB2 PRO 36 HB2 PRO 36 -6.554 -9.615 -16.960 269 HB3 PRO 36 HB1 PRO 36 -6.334 -7.852 -16.942 270 HG2 PRO 36 HG2 PRO 36 -4.553 -9.938 -15.955 271 HG3 PRO 36 HG1 PRO 36 -4.215 -8.235 -16.285 272 HD2 PRO 36 HD2 PRO 36 -4.732 -9.498 -13.729 273 HD3 PRO 36 HD1 PRO 36 -4.238 -7.827 -14.062 274 H TYR 37 HN TYR 37 -5.994 -10.882 -14.882 275 HA TYR 37 HA TYR 37 -6.633 -13.107 -14.707 276 HB2 TYR 37 HB2 TYR 37 -6.202 -12.150 -12.457 277 HB3 TYR 37 HB1 TYR 37 -7.935 -11.907 -12.263 278 HD1 TYR 37 HD1 TYR 37 -5.256 -14.441 -12.631 279 HD2 TYR 37 HD2 TYR 37 -9.434 -13.785 -11.887 280 HE1 TYR 37 HE1 TYR 37 -5.504 -16.808 -11.930 281 HE2 TYR 37 HE2 TYR 37 -9.682 -16.150 -11.183 282 HH TYR 37 HH TYR 37 -7.819 -17.966 -10.163 283 H ARG 38 HN ARG 38 -8.029 -13.649 -16.362 284 HA ARG 38 HA ARG 38 -9.967 -14.385 -17.337 285 HB2 ARG 38 HB2 ARG 38 -10.387 -14.761 -14.459 286 HB3 ARG 38 HB1 ARG 38 -11.911 -14.440 -15.274 287 HG2 ARG 38 HG2 ARG 38 -11.346 -16.232 -16.921 288 HG3 ARG 38 HG1 ARG 38 -9.917 -16.624 -15.956 289 HD2 ARG 38 HD2 ARG 38 -11.270 -17.215 -14.057 290 HD3 ARG 38 HD1 ARG 38 -12.725 -16.591 -14.825 291 HE ARG 38 HE ARG 38 -11.518 -18.662 -16.402 292 HH11 ARG 38 HH11 ARG 38 -13.520 -18.147 -13.561 293 HH12 ARG 38 HH12 ARG 38 -14.286 -19.697 -13.669 294 HH21 ARG 38 HH21 ARG 38 -12.546 -20.672 -16.511 295 HH22 ARG 38 HH22 ARG 38 -13.736 -21.115 -15.332 296 H ARG 39 HN ARG 39 -12.165 -13.782 -17.892 297 HA ARG 39 HA ARG 39 -12.684 -10.921 -17.425 298 HB2 ARG 39 HB2 ARG 39 -11.800 -12.025 -19.829 299 HB3 ARG 39 HB1 ARG 39 -13.533 -11.914 -20.075 300 HG2 ARG 39 HG2 ARG 39 -12.067 -9.526 -18.933 301 HG3 ARG 39 HG1 ARG 39 -11.930 -9.859 -20.656 302 HD2 ARG 39 HD2 ARG 39 -14.364 -9.786 -20.898 303 HD3 ARG 39 HD1 ARG 39 -14.548 -9.541 -19.162 304 HE ARG 39 HE ARG 39 -12.862 -7.513 -20.139 305 HH11 ARG 39 HH11 ARG 39 -16.217 -8.503 -20.464 306 HH12 ARG 39 HH12 ARG 39 -16.785 -6.899 -20.783 307 HH21 ARG 39 HH21 ARG 39 -13.643 -5.438 -20.564 308 HH22 ARG 39 HH22 ARG 39 -15.332 -5.173 -20.841 309 H GLY 40 HN GLY 40 -14.014 -14.074 -18.288 310 HA2 GLY 40 HA2 GLY 40 -16.614 -13.247 -17.153 311 HA3 GLY 40 HA1 GLY 40 -16.544 -14.145 -18.667 312 H CYS 41 HN CYS 41 -17.881 -15.029 -16.295 313 HA CYS 41 HA CYS 41 -16.296 -16.893 -14.823 314 HB2 CYS 41 HB2 CYS 41 -18.371 -17.673 -13.884 315 HB3 CYS 41 HB1 CYS 41 -18.462 -15.921 -14.028 316 H GLY 42 HN GLY 42 -16.209 -19.087 -14.916 317 HA2 GLY 42 HA2 GLY 42 -17.439 -20.609 -17.045 318 HA3 GLY 42 HA1 GLY 42 -15.693 -20.450 -17.207 319 H VAL 43 HN VAL 43 -16.956 -20.439 -14.008 320 HA VAL 43 HA VAL 43 -15.506 -22.727 -13.183 321 HB VAL 43 HB VAL 43 -17.758 -21.232 -11.789 322 HG11 VAL 43 HG11 VAL 43 -17.166 -23.543 -10.921 323 HG12 VAL 43 HG12 VAL 43 -17.041 -22.227 -9.756 324 HG13 VAL 43 HG13 VAL 43 -15.588 -22.888 -10.505 325 HG21 VAL 43 HG21 VAL 43 -14.748 -20.880 -11.689 326 HG22 VAL 43 HG22 VAL 43 -15.877 -20.132 -10.558 327 HG23 VAL 43 HG23 VAL 43 -15.937 -19.709 -12.271 328 H LEU 44 HN LEU 44 -18.881 -22.118 -14.033 329 HA LEU 44 HA LEU 44 -20.638 -23.477 -14.572 330 HB2 LEU 44 HB2 LEU 44 -18.605 -25.727 -14.528 331 HB3 LEU 44 HB1 LEU 44 -20.248 -25.848 -15.140 332 HG LEU 44 HG LEU 44 -18.225 -23.852 -16.222 333 HD11 LEU 44 HD11 LEU 44 -18.948 -26.651 -17.143 334 HD12 LEU 44 HD12 LEU 44 -17.351 -26.049 -16.698 335 HD13 LEU 44 HD13 LEU 44 -18.132 -25.476 -18.173 336 HD21 LEU 44 HD21 LEU 44 -20.935 -24.873 -17.155 337 HD22 LEU 44 HD22 LEU 44 -19.853 -23.933 -18.182 338 HD23 LEU 44 HD23 LEU 44 -20.516 -23.218 -16.714 339 H GLU 45 HN GLU 45 -19.666 -22.941 -11.793 340 HA GLU 45 HA GLU 45 -20.888 -25.178 -10.303 341 HB2 GLU 45 HB2 GLU 45 -19.004 -22.958 -9.593 342 HB3 GLU 45 HB1 GLU 45 -19.950 -23.740 -8.330 343 HG2 GLU 45 HG2 GLU 45 -19.031 -25.921 -8.916 344 HG3 GLU 45 HG1 GLU 45 -18.177 -25.238 -10.293 345 H GLY 46 HN GLY 46 -21.141 -21.737 -10.927 346 HA2 GLY 46 HA2 GLY 46 -23.897 -21.596 -10.473 347 HA3 GLY 46 HA1 GLY 46 -23.081 -21.071 -9.002 348 H CYS 47 HN CYS 47 -23.372 -20.481 -12.470 349 HA CYS 47 HA CYS 47 -22.909 -17.617 -11.984 350 HB2 CYS 47 HB2 CYS 47 -20.819 -18.633 -12.872 351 HB3 CYS 47 HB1 CYS 47 -21.715 -19.164 -14.298 352 H HIS 48 HN HIS 48 -24.609 -16.497 -12.706 353 HA HIS 48 HA HIS 48 -26.122 -17.518 -15.034 354 HB2 HIS 48 HB2 HIS 48 -27.329 -16.477 -12.458 355 HB3 HIS 48 HB1 HIS 48 -28.234 -16.889 -13.912 356 HD2 HIS 48 HD2 HIS 48 -26.969 -18.626 -10.756 357 HE1 HIS 48 HE1 HIS 48 -27.767 -21.716 -13.517 358 HE2 HIS 48 HE2 HIS 48 -27.243 -21.200 -11.087 359 H ARG 49 HN ARG 49 -27.159 -15.995 -16.312 360 HA ARG 49 HA ARG 49 -26.350 -13.181 -15.864 361 HB2 ARG 49 HB2 ARG 49 -25.202 -14.264 -17.793 362 HB3 ARG 49 HB1 ARG 49 -26.774 -14.599 -18.514 363 HG2 ARG 49 HG2 ARG 49 -27.265 -12.178 -18.590 364 HG3 ARG 49 HG1 ARG 49 -25.695 -11.834 -17.862 365 HD2 ARG 49 HD2 ARG 49 -24.567 -12.894 -19.780 366 HD3 ARG 49 HD1 ARG 49 -26.131 -13.245 -20.507 367 HE ARG 49 HE ARG 49 -25.986 -10.472 -19.987 368 HH11 ARG 49 HH11 ARG 49 -24.523 -12.855 -22.113 369 HH12 ARG 49 HH12 ARG 49 -24.196 -11.712 -23.372 370 HH21 ARG 49 HH21 ARG 49 -25.534 -9.010 -21.653 371 HH22 ARG 49 HH22 ARG 49 -24.768 -9.548 -23.110 372 H GLU 50 HN GLU 50 -27.985 -11.819 -15.546 373 HA GLU 50 HA GLU 50 -30.443 -11.992 -17.030 374 HB2 GLU 50 HB2 GLU 50 -31.935 -12.093 -15.054 375 HB3 GLU 50 HB1 GLU 50 -31.044 -13.600 -15.318 376 HG2 GLU 50 HG2 GLU 50 -29.384 -12.873 -13.604 377 HG3 GLU 50 HG1 GLU 50 -30.341 -11.421 -13.316 378 H THR 51 HN THR 51 -31.967 -10.253 -16.454 379 HA THR 51 HA THR 51 -30.625 -7.749 -16.303 380 HB THR 51 HB THR 51 -32.920 -6.815 -16.302 381 HG1 THR 51 HG1 THR 51 -33.639 -9.549 -16.216 382 HG21 THR 51 HG21 THR 51 -33.519 -7.609 -18.514 383 HG22 THR 51 HG22 THR 51 -32.567 -9.075 -18.281 384 HG23 THR 51 HG23 THR 51 -31.762 -7.511 -18.405 385 H GLY 52 HN GLY 52 -32.422 -9.716 -13.982 386 HA2 GLY 52 HA2 GLY 52 -31.207 -8.795 -11.688 387 HA3 GLY 52 HA1 GLY 52 -32.605 -7.749 -11.929 388 HA PRO 53 HA PRO 53 -33.912 -11.837 -9.850 389 HB2 PRO 53 HB2 PRO 53 -34.737 -10.905 -7.448 390 HB3 PRO 53 HB1 PRO 53 -33.043 -11.339 -7.768 391 HG2 PRO 53 HG2 PRO 53 -34.323 -8.645 -7.767 392 HG3 PRO 53 HG1 PRO 53 -32.784 -9.158 -7.050 393 HD2 PRO 53 HD2 PRO 53 -32.888 -7.870 -9.436 394 HD3 PRO 53 HD1 PRO 53 -31.649 -9.100 -9.078 395 H LYS 54 HN LYS 54 -36.063 -12.540 -9.708 396 HA LYS 54 HA LYS 54 -38.212 -10.539 -9.879 397 HB2 LYS 54 HB2 LYS 54 -37.558 -11.343 -12.177 398 HB3 LYS 54 HB1 LYS 54 -38.105 -12.942 -11.687 399 HG2 LYS 54 HG2 LYS 54 -40.320 -11.775 -11.015 400 HG3 LYS 54 HG1 LYS 54 -39.726 -10.400 -11.939 401 HD2 LYS 54 HD2 LYS 54 -41.005 -11.603 -13.514 402 HD3 LYS 54 HD1 LYS 54 -39.348 -12.092 -13.873 403 HE2 LYS 54 HE2 LYS 54 -39.704 -14.051 -12.307 404 HE3 LYS 54 HE1 LYS 54 -41.407 -13.613 -12.262 405 HZ1 LYS 54 HZ1 LYS 54 -40.018 -14.016 -14.838 406 HZ2 LYS 54 HZ2 LYS 54 -41.686 -14.053 -14.511 407 HZ3 LYS 54 HZ3 LYS 54 -40.684 -15.325 -13.991 408 HA PRO 55 HA PRO 55 -39.158 -13.883 -6.715 409 HB2 PRO 55 HB2 PRO 55 -40.395 -12.239 -4.928 410 HB3 PRO 55 HB1 PRO 55 -38.632 -12.469 -4.971 411 HG2 PRO 55 HG2 PRO 55 -40.279 -10.277 -6.149 412 HG3 PRO 55 HG1 PRO 55 -38.792 -10.174 -5.192 413 HD2 PRO 55 HD2 PRO 55 -38.710 -9.950 -7.866 414 HD3 PRO 55 HD1 PRO 55 -37.428 -10.815 -6.982 415 H THR 56 HN THR 56 -41.077 -11.382 -8.247 416 HA THR 56 HA THR 56 -43.657 -12.033 -7.511 417 HB THR 56 HB THR 56 -42.849 -11.187 -10.299 418 HG1 THR 56 HG1 THR 56 -43.093 -9.730 -7.886 419 HG21 THR 56 HG21 THR 56 -45.315 -10.707 -8.603 420 HG22 THR 56 HG22 THR 56 -45.214 -11.736 -10.032 421 HG23 THR 56 HG23 THR 56 -45.023 -9.990 -10.187 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 -29.283 37.502 23.289 2 H2 GLU 1 HT2 GLU 1 -27.995 37.056 24.302 3 H3 GLU 1 HT3 GLU 1 -29.251 35.956 23.980 4 HA GLU 1 HA GLU 1 -27.376 37.027 21.941 5 HB2 GLU 1 HB2 GLU 1 -27.375 34.523 23.633 6 HB3 GLU 1 HB1 GLU 1 -26.654 34.499 22.024 7 HG2 GLU 1 HG2 GLU 1 -25.200 36.400 22.654 8 HG3 GLU 1 HG1 GLU 1 -25.905 36.398 24.270 9 H ALA 2 HN ALA 2 -30.208 37.105 21.756 10 HA ALA 2 HA ALA 2 -31.313 34.832 20.462 11 HB1 ALA 2 HB1 ALA 2 -32.926 36.681 19.538 12 HB2 ALA 2 HB2 ALA 2 -32.085 37.719 20.689 13 HB3 ALA 2 HB3 ALA 2 -32.940 36.285 21.255 14 H SER 3 HN SER 3 -31.519 34.299 18.322 15 HA SER 3 HA SER 3 -30.950 34.125 16.118 16 HB2 SER 3 HB2 SER 3 -32.202 36.358 16.154 17 HB3 SER 3 HB1 SER 3 -30.619 37.125 16.124 18 HG SER 3 HG SER 3 -30.204 36.088 14.173 19 H VAL 4 HN VAL 4 -28.914 33.220 17.311 20 HA VAL 4 HA VAL 4 -26.565 34.497 16.068 21 HB VAL 4 HB VAL 4 -25.181 33.919 18.037 22 HG11 VAL 4 HG11 VAL 4 -26.102 36.177 17.838 23 HG12 VAL 4 HG12 VAL 4 -26.068 35.687 19.531 24 HG13 VAL 4 HG13 VAL 4 -27.588 35.665 18.637 25 HG21 VAL 4 HG21 VAL 4 -26.395 32.104 19.049 26 HG22 VAL 4 HG22 VAL 4 -27.867 33.067 19.169 27 HG23 VAL 4 HG23 VAL 4 -26.483 33.440 20.197 28 H ARG 5 HN ARG 5 -24.780 33.039 15.655 29 HA ARG 5 HA ARG 5 -25.720 30.322 15.047 30 HB2 ARG 5 HB2 ARG 5 -24.723 31.766 13.246 31 HB3 ARG 5 HB1 ARG 5 -23.186 31.684 14.101 32 HG2 ARG 5 HG2 ARG 5 -24.553 29.051 13.550 33 HG3 ARG 5 HG1 ARG 5 -23.905 29.907 12.161 34 HD2 ARG 5 HD2 ARG 5 -22.270 29.334 14.645 35 HD3 ARG 5 HD1 ARG 5 -22.308 28.280 13.246 36 HE ARG 5 HE ARG 5 -21.243 29.992 11.946 37 HH11 ARG 5 HH11 ARG 5 -21.530 30.898 15.351 38 HH12 ARG 5 HH12 ARG 5 -20.317 32.120 15.232 39 HH21 ARG 5 HH21 ARG 5 -19.668 31.599 11.873 40 HH22 ARG 5 HH22 ARG 5 -19.274 32.517 13.287 41 H TYR 6 HN TYR 6 -25.205 28.736 16.397 42 HA TYR 6 HA TYR 6 -22.745 28.977 18.023 43 HB2 TYR 6 HB2 TYR 6 -24.978 29.045 19.250 44 HB3 TYR 6 HB1 TYR 6 -25.186 27.362 18.770 45 HD1 TYR 6 HD1 TYR 6 -23.134 29.706 20.755 46 HD2 TYR 6 HD2 TYR 6 -23.854 25.592 19.754 47 HE1 TYR 6 HE1 TYR 6 -21.696 28.996 22.644 48 HE2 TYR 6 HE2 TYR 6 -22.414 24.881 21.644 49 HH TYR 6 HH TYR 6 -20.461 27.147 23.423 50 H ILE 7 HN ILE 7 -24.811 26.833 16.128 51 HA ILE 7 HA ILE 7 -22.773 24.708 16.255 52 HB ILE 7 HB ILE 7 -25.560 24.482 15.068 53 HG12 ILE 7 HG12 ILE 7 -25.803 23.064 17.391 54 HG13 ILE 7 HG11 ILE 7 -24.620 24.256 17.940 55 HG21 ILE 7 HG21 ILE 7 -25.183 22.108 15.160 56 HG22 ILE 7 HG22 ILE 7 -23.692 22.318 16.076 57 HG23 ILE 7 HG23 ILE 7 -23.771 22.833 14.391 58 HD11 ILE 7 HD11 ILE 7 -26.109 26.075 17.398 59 HD12 ILE 7 HD12 ILE 7 -27.043 24.890 18.310 60 HD13 ILE 7 HD13 ILE 7 -27.215 24.990 16.559 61 H THR 8 HN THR 8 -21.382 24.527 14.619 62 HA THR 8 HA THR 8 -22.067 25.748 12.015 63 HB THR 8 HB THR 8 -19.336 25.048 13.156 64 HG1 THR 8 HG1 THR 8 -20.509 27.592 12.750 65 HG21 THR 8 HG21 THR 8 -18.400 26.148 11.263 66 HG22 THR 8 HG22 THR 8 -19.962 26.804 10.773 67 HG23 THR 8 HG23 THR 8 -19.640 25.079 10.606 68 H TYR 9 HN TYR 9 -23.001 24.194 10.804 69 HA TYR 9 HA TYR 9 -21.426 22.108 9.747 70 HB2 TYR 9 HB2 TYR 9 -21.973 21.088 11.949 71 HB3 TYR 9 HB1 TYR 9 -23.688 21.160 11.533 72 HD1 TYR 9 HD1 TYR 9 -20.416 19.639 10.681 73 HD2 TYR 9 HD2 TYR 9 -24.645 19.627 9.936 74 HE1 TYR 9 HE1 TYR 9 -20.192 17.499 9.447 75 HE2 TYR 9 HE2 TYR 9 -24.422 17.491 8.700 76 HH TYR 9 HH TYR 9 -21.965 15.478 8.942 77 HA PRO 10 HA PRO 10 -24.653 22.942 6.662 78 HB2 PRO 10 HB2 PRO 10 -23.996 21.171 4.744 79 HB3 PRO 10 HB1 PRO 10 -22.991 22.598 5.086 80 HG2 PRO 10 HG2 PRO 10 -22.614 19.774 5.982 81 HG3 PRO 10 HG1 PRO 10 -21.422 20.911 5.320 82 HD2 PRO 10 HD2 PRO 10 -21.656 20.447 7.989 83 HD3 PRO 10 HD1 PRO 10 -21.158 22.028 7.347 84 H ALA 11 HN ALA 11 -26.642 22.068 5.956 85 HA ALA 11 HA ALA 11 -27.835 20.036 7.512 86 HB1 ALA 11 HB1 ALA 11 -28.907 20.839 4.825 87 HB2 ALA 11 HB2 ALA 11 -28.921 21.984 6.166 88 HB3 ALA 11 HB3 ALA 11 -29.786 20.455 6.306 89 H ILE 12 HN ILE 12 -26.449 20.047 4.260 90 HA ILE 12 HA ILE 12 -26.512 17.108 4.249 91 HB ILE 12 HB ILE 12 -26.941 18.944 1.848 92 HG12 ILE 12 HG12 ILE 12 -28.908 16.987 3.102 93 HG13 ILE 12 HG11 ILE 12 -28.877 18.699 3.528 94 HG21 ILE 12 HG21 ILE 12 -25.832 16.968 1.068 95 HG22 ILE 12 HG22 ILE 12 -27.542 16.670 0.773 96 HG23 ILE 12 HG23 ILE 12 -26.747 15.930 2.162 97 HD11 ILE 12 HD11 ILE 12 -30.556 18.151 1.743 98 HD12 ILE 12 HD12 ILE 12 -29.224 17.657 0.697 99 HD13 ILE 12 HD13 ILE 12 -29.354 19.335 1.228 100 H ASP 13 HN ASP 13 -24.754 16.208 2.839 101 HA ASP 13 HA ASP 13 -22.249 17.229 3.575 102 HB2 ASP 13 HB2 ASP 13 -21.288 15.591 2.010 103 HB3 ASP 13 HB1 ASP 13 -22.574 14.876 2.972 104 H ARG 14 HN ARG 14 -24.314 18.162 0.962 105 HA ARG 14 HA ARG 14 -24.022 19.471 -0.921 106 HB2 ARG 14 HB2 ARG 14 -22.380 21.014 1.117 107 HB3 ARG 14 HB1 ARG 14 -23.056 21.685 -0.363 108 HG2 ARG 14 HG2 ARG 14 -24.749 20.398 1.801 109 HG3 ARG 14 HG1 ARG 14 -24.444 22.128 1.719 110 HD2 ARG 14 HD2 ARG 14 -25.784 20.456 -0.434 111 HD3 ARG 14 HD1 ARG 14 -26.599 21.550 0.671 112 HE ARG 14 HE ARG 14 -24.661 23.079 -0.605 113 HH11 ARG 14 HH11 ARG 14 -27.473 21.219 -1.590 114 HH12 ARG 14 HH12 ARG 14 -27.791 22.205 -2.979 115 HH21 ARG 14 HH21 ARG 14 -25.110 24.337 -2.430 116 HH22 ARG 14 HH22 ARG 14 -26.456 23.962 -3.450 117 H GLY 15 HN GLY 15 -21.972 21.113 -1.857 118 HA2 GLY 15 HA2 GLY 15 -19.888 21.143 -2.882 119 HA3 GLY 15 HA1 GLY 15 -19.503 19.620 -2.083 120 H ASP 16 HN ASP 16 -18.616 19.454 -4.423 121 HA ASP 16 HA ASP 16 -20.674 18.466 -6.279 122 HB2 ASP 16 HB2 ASP 16 -17.785 19.246 -6.660 123 HB3 ASP 16 HB1 ASP 16 -18.722 18.436 -7.910 124 H HIS 17 HN HIS 17 -21.062 16.374 -6.358 125 HA HIS 17 HA HIS 17 -19.554 14.424 -4.959 126 HB2 HIS 17 HB2 HIS 17 -21.705 14.166 -7.067 127 HB3 HIS 17 HB1 HIS 17 -21.028 12.798 -6.183 128 HD2 HIS 17 HD2 HIS 17 -23.744 15.468 -5.698 129 HE1 HIS 17 HE1 HIS 17 -23.034 13.811 -1.881 130 HE2 HIS 17 HE2 HIS 17 -24.581 15.306 -3.229 131 H ALA 18 HN ALA 18 -19.684 15.367 -8.364 132 HA ALA 18 HA ALA 18 -17.989 13.287 -9.327 133 HB1 ALA 18 HB1 ALA 18 -19.626 14.926 -10.595 134 HB2 ALA 18 HB2 ALA 18 -18.194 14.281 -11.396 135 HB3 ALA 18 HB3 ALA 18 -18.173 15.916 -10.734 136 H VAL 19 HN VAL 19 -15.811 13.283 -9.791 137 HA VAL 19 HA VAL 19 -14.212 15.608 -8.978 138 HB VAL 19 HB VAL 19 -14.303 14.069 -7.040 139 HG11 VAL 19 HG11 VAL 19 -14.651 11.945 -8.144 140 HG12 VAL 19 HG12 VAL 19 -13.147 11.853 -7.230 141 HG13 VAL 19 HG13 VAL 19 -13.102 12.074 -8.979 142 HG21 VAL 19 HG21 VAL 19 -12.226 15.425 -7.654 143 HG22 VAL 19 HG22 VAL 19 -11.555 13.935 -8.317 144 HG23 VAL 19 HG23 VAL 19 -11.944 14.040 -6.600 145 H HIS 20 HN HIS 20 -12.435 15.982 -10.221 146 HA HIS 20 HA HIS 20 -11.671 13.961 -12.226 147 HB2 HIS 20 HB2 HIS 20 -11.563 15.694 -13.974 148 HB3 HIS 20 HB1 HIS 20 -13.199 15.518 -13.342 149 HD2 HIS 20 HD2 HIS 20 -10.480 18.245 -13.687 150 HE1 HIS 20 HE1 HIS 20 -13.524 19.875 -11.262 151 HE2 HIS 20 HE2 HIS 20 -11.406 20.408 -12.559 152 H CYS 21 HN CYS 21 -9.592 14.403 -13.277 153 HA CYS 21 HA CYS 21 -7.574 15.026 -11.345 154 HB2 CYS 21 HB2 CYS 21 -7.453 14.333 -14.281 155 HB3 CYS 21 HB1 CYS 21 -6.020 14.608 -13.295 156 H ASP 22 HN ASP 22 -5.811 16.592 -11.704 157 HA ASP 22 HA ASP 22 -6.786 19.206 -11.988 158 HB2 ASP 22 HB2 ASP 22 -4.734 18.423 -10.700 159 HB3 ASP 22 HB1 ASP 22 -3.898 18.379 -12.248 160 H LYS 23 HN LYS 23 -6.839 20.629 -13.650 161 HA LYS 23 HA LYS 23 -6.532 19.672 -16.347 162 HB2 LYS 23 HB2 LYS 23 -7.556 22.095 -15.030 163 HB3 LYS 23 HB1 LYS 23 -6.657 22.488 -16.488 164 HG2 LYS 23 HG2 LYS 23 -8.936 22.183 -17.168 165 HG3 LYS 23 HG1 LYS 23 -8.078 20.735 -17.690 166 HD2 LYS 23 HD2 LYS 23 -8.871 19.529 -15.698 167 HD3 LYS 23 HD1 LYS 23 -9.705 20.982 -15.140 168 HE2 LYS 23 HE2 LYS 23 -11.101 20.969 -17.174 169 HE3 LYS 23 HE1 LYS 23 -10.268 19.521 -17.738 170 HZ1 LYS 23 HZ1 LYS 23 -12.116 18.662 -16.706 171 HZ2 LYS 23 HZ2 LYS 23 -12.116 19.831 -15.472 172 HZ3 LYS 23 HZ3 LYS 23 -10.964 18.582 -15.468 173 H ALA 24 HN ALA 24 -4.425 21.176 -14.072 174 HA ALA 24 HA ALA 24 -2.444 21.884 -16.126 175 HB1 ALA 24 HB1 ALA 24 -2.178 22.331 -13.156 176 HB2 ALA 24 HB2 ALA 24 -3.032 23.464 -14.202 177 HB3 ALA 24 HB3 ALA 24 -1.318 23.142 -14.464 178 H HIS 25 HN HIS 25 -3.116 19.613 -13.565 179 HA HIS 25 HA HIS 25 -0.667 18.121 -14.255 180 HB2 HIS 25 HB2 HIS 25 -1.867 18.594 -11.517 181 HB3 HIS 25 HB1 HIS 25 -0.642 17.378 -11.833 182 HD2 HIS 25 HD2 HIS 25 -0.854 21.129 -11.065 183 HE1 HIS 25 HE1 HIS 25 3.052 20.455 -12.518 184 HE2 HIS 25 HE2 HIS 25 1.533 22.139 -11.374 185 HA PRO 26 HA PRO 26 -4.728 15.604 -14.479 186 HB2 PRO 26 HB2 PRO 26 -4.865 15.134 -17.125 187 HB3 PRO 26 HB1 PRO 26 -5.530 16.596 -16.360 188 HG2 PRO 26 HG2 PRO 26 -2.933 16.231 -17.768 189 HG3 PRO 26 HG1 PRO 26 -4.134 17.523 -17.966 190 HD2 PRO 26 HD2 PRO 26 -1.930 17.882 -16.445 191 HD3 PRO 26 HD1 PRO 26 -3.490 18.612 -16.015 192 H ASN 27 HN ASN 27 -1.542 15.314 -15.796 193 HA ASN 27 HA ASN 27 -1.717 12.455 -16.283 194 HB2 ASN 27 HB2 ASN 27 0.631 14.346 -16.459 195 HB3 ASN 27 HB1 ASN 27 0.648 12.652 -16.951 196 HD21 ASN 27 HD21 ASN 27 -1.499 12.192 -18.442 197 HD22 ASN 27 HD22 ASN 27 -1.681 13.307 -19.707 198 H THR 28 HN THR 28 -1.106 14.359 -13.511 199 HA THR 28 HA THR 28 0.122 12.017 -12.195 200 HB THR 28 HB THR 28 1.931 13.606 -12.549 201 HG1 THR 28 HG1 THR 28 1.074 13.727 -9.855 202 HG21 THR 28 HG21 THR 28 0.434 15.633 -12.657 203 HG22 THR 28 HG22 THR 28 1.886 15.845 -11.679 204 HG23 THR 28 HG23 THR 28 0.329 15.567 -10.898 205 H CYS 29 HN CYS 29 -2.693 13.298 -12.287 206 HA CYS 29 HA CYS 29 -3.256 14.285 -9.679 207 HB2 CYS 29 HB2 CYS 29 -5.600 13.800 -10.200 208 HB3 CYS 29 HB1 CYS 29 -4.812 14.529 -11.598 209 H LYS 30 HN LYS 30 -4.215 13.203 -7.865 210 HA LYS 30 HA LYS 30 -3.510 10.325 -7.750 211 HB2 LYS 30 HB2 LYS 30 -3.393 12.319 -5.473 212 HB3 LYS 30 HB1 LYS 30 -2.907 10.629 -5.405 213 HG2 LYS 30 HG2 LYS 30 -1.620 12.716 -7.203 214 HG3 LYS 30 HG1 LYS 30 -0.959 12.190 -5.658 215 HD2 LYS 30 HD2 LYS 30 -0.823 9.864 -6.536 216 HD3 LYS 30 HD1 LYS 30 -1.417 10.431 -8.095 217 HE2 LYS 30 HE2 LYS 30 0.522 11.950 -8.282 218 HE3 LYS 30 HE1 LYS 30 1.125 11.371 -6.731 219 HZ1 LYS 30 HZ1 LYS 30 1.580 9.286 -7.589 220 HZ2 LYS 30 HZ2 LYS 30 2.023 10.311 -8.871 221 HZ3 LYS 30 HZ3 LYS 30 0.542 9.477 -8.914 222 H LYS 31 HN LYS 31 -5.690 12.752 -6.353 223 HA LYS 31 HA LYS 31 -7.830 12.589 -5.539 224 HB2 LYS 31 HB2 LYS 31 -8.025 9.952 -6.998 225 HB3 LYS 31 HB1 LYS 31 -9.348 11.019 -6.533 226 HG2 LYS 31 HG2 LYS 31 -7.147 11.747 -8.493 227 HG3 LYS 31 HG1 LYS 31 -8.749 11.192 -8.965 228 HD2 LYS 31 HD2 LYS 31 -9.266 13.435 -8.991 229 HD3 LYS 31 HD1 LYS 31 -9.469 13.243 -7.267 230 HE2 LYS 31 HE2 LYS 31 -7.329 14.165 -6.805 231 HE3 LYS 31 HE1 LYS 31 -6.780 13.932 -8.464 232 HZ1 LYS 31 HZ1 LYS 31 -8.016 15.705 -9.214 233 HZ2 LYS 31 HZ2 LYS 31 -7.519 16.259 -7.684 234 HZ3 LYS 31 HZ3 LYS 31 -9.094 15.663 -7.905 235 H LYS 32 HN LYS 32 -9.361 10.925 -4.309 236 HA LYS 32 HA LYS 32 -7.742 9.097 -2.646 237 HB2 LYS 32 HB2 LYS 32 -9.628 11.174 -1.489 238 HB3 LYS 32 HB1 LYS 32 -8.689 9.988 -0.587 239 HG2 LYS 32 HG2 LYS 32 -7.422 12.077 -2.380 240 HG3 LYS 32 HG1 LYS 32 -7.655 12.309 -0.652 241 HD2 LYS 32 HD2 LYS 32 -6.241 10.365 -0.168 242 HD3 LYS 32 HD1 LYS 32 -6.050 10.040 -1.889 243 HE2 LYS 32 HE2 LYS 32 -5.007 12.234 -2.196 244 HE3 LYS 32 HE1 LYS 32 -5.169 12.566 -0.468 245 HZ1 LYS 32 HZ1 LYS 32 -3.399 10.658 -1.837 246 HZ2 LYS 32 HZ2 LYS 32 -3.915 10.312 -0.257 247 HZ3 LYS 32 HZ3 LYS 32 -3.045 11.736 -0.578 248 H GLN 33 HN GLN 33 -8.877 7.428 -1.637 249 HA GLN 33 HA GLN 33 -11.725 7.202 -1.900 250 HB2 GLN 33 HB2 GLN 33 -11.759 5.208 -3.324 251 HB3 GLN 33 HB1 GLN 33 -11.038 6.562 -4.185 252 HG2 GLN 33 HG2 GLN 33 -9.158 4.771 -2.677 253 HG3 GLN 33 HG1 GLN 33 -9.902 4.116 -4.128 254 HE21 GLN 33 HE21 GLN 33 -7.979 4.182 -5.430 255 HE22 GLN 33 HE22 GLN 33 -7.257 5.643 -5.908 256 H ALA 34 HN ALA 34 -12.499 5.030 -1.093 257 HA ALA 34 HA ALA 34 -12.627 3.485 0.581 258 HB1 ALA 34 HB1 ALA 34 -10.522 2.728 -0.823 259 HB2 ALA 34 HB2 ALA 34 -10.926 1.938 0.701 260 HB3 ALA 34 HB3 ALA 34 -9.661 3.164 0.654 261 H ASN 35 HN ASN 35 -11.914 2.938 2.832 262 HA ASN 35 HA ASN 35 -11.766 5.322 4.419 263 HB2 ASN 35 HB2 ASN 35 -11.616 2.398 5.174 264 HB3 ASN 35 HB1 ASN 35 -11.693 3.721 6.330 265 HD21 ASN 35 HD21 ASN 35 -13.804 3.144 7.155 266 HD22 ASN 35 HD22 ASN 35 -15.208 3.292 6.214 267 HA PRO 36 HA PRO 36 -7.371 5.666 4.894 268 HB2 PRO 36 HB2 PRO 36 -7.107 6.771 7.343 269 HB3 PRO 36 HB1 PRO 36 -7.775 7.670 5.964 270 HG2 PRO 36 HG2 PRO 36 -9.192 6.344 8.216 271 HG3 PRO 36 HG1 PRO 36 -9.510 7.907 7.447 272 HD2 PRO 36 HD2 PRO 36 -10.953 5.670 6.884 273 HD3 PRO 36 HD1 PRO 36 -10.701 6.975 5.715 274 H TYR 37 HN TYR 37 -9.176 4.036 7.380 275 HA TYR 37 HA TYR 37 -6.957 2.825 8.721 276 HB2 TYR 37 HB2 TYR 37 -9.136 3.357 9.784 277 HB3 TYR 37 HB1 TYR 37 -9.892 2.126 8.777 278 HD1 TYR 37 HD1 TYR 37 -7.560 2.736 11.580 279 HD2 TYR 37 HD2 TYR 37 -9.469 -0.262 9.166 280 HE1 TYR 37 HE1 TYR 37 -6.857 0.990 13.192 281 HE2 TYR 37 HE2 TYR 37 -8.767 -2.004 10.778 282 HH TYR 37 HH TYR 37 -7.914 -2.375 12.870 283 H ARG 38 HN ARG 38 -6.031 0.876 8.356 284 HA ARG 38 HA ARG 38 -7.234 -0.942 6.362 285 HB2 ARG 38 HB2 ARG 38 -5.404 0.434 5.343 286 HB3 ARG 38 HB1 ARG 38 -4.289 -0.283 6.510 287 HG2 ARG 38 HG2 ARG 38 -4.779 -2.522 5.631 288 HG3 ARG 38 HG1 ARG 38 -5.944 -1.838 4.495 289 HD2 ARG 38 HD2 ARG 38 -4.136 -0.499 3.461 290 HD3 ARG 38 HD1 ARG 38 -2.977 -1.220 4.572 291 HE ARG 38 HE ARG 38 -4.178 -2.489 2.240 292 HH11 ARG 38 HH11 ARG 38 -2.447 -3.003 5.255 293 HH12 ARG 38 HH12 ARG 38 -1.837 -4.553 4.779 294 HH21 ARG 38 HH21 ARG 38 -3.349 -4.506 1.655 295 HH22 ARG 38 HH22 ARG 38 -2.347 -5.397 2.752 296 H ARG 39 HN ARG 39 -6.974 -3.082 6.710 297 HA ARG 39 HA ARG 39 -5.378 -3.964 8.999 298 HB2 ARG 39 HB2 ARG 39 -7.742 -3.576 9.764 299 HB3 ARG 39 HB1 ARG 39 -8.261 -4.800 8.607 300 HG2 ARG 39 HG2 ARG 39 -6.775 -6.465 9.699 301 HG3 ARG 39 HG1 ARG 39 -6.301 -5.253 10.887 302 HD2 ARG 39 HD2 ARG 39 -9.125 -6.258 10.443 303 HD3 ARG 39 HD1 ARG 39 -8.066 -6.759 11.744 304 HE ARG 39 HE ARG 39 -8.212 -4.540 12.682 305 HH11 ARG 39 HH11 ARG 39 -10.417 -5.022 9.952 306 HH12 ARG 39 HH12 ARG 39 -11.429 -3.702 10.411 307 HH21 ARG 39 HH21 ARG 39 -9.599 -2.845 13.222 308 HH22 ARG 39 HH22 ARG 39 -10.975 -2.483 12.235 309 H GLY 40 HN GLY 40 -4.367 -5.852 8.636 310 HA2 GLY 40 HA2 GLY 40 -5.004 -7.287 6.139 311 HA3 GLY 40 HA1 GLY 40 -3.419 -7.274 6.916 312 H CYS 41 HN CYS 41 -5.425 -9.478 6.187 313 HA CYS 41 HA CYS 41 -6.071 -10.623 8.795 314 HB2 CYS 41 HB2 CYS 41 -7.685 -10.808 6.930 315 HB3 CYS 41 HB1 CYS 41 -6.500 -11.729 6.005 316 H GLY 42 HN GLY 42 -4.548 -11.678 9.887 317 HA2 GLY 42 HA2 GLY 42 -2.691 -13.446 8.411 318 HA3 GLY 42 HA1 GLY 42 -2.086 -12.326 9.619 319 H VAL 43 HN VAL 43 -5.165 -13.760 10.288 320 HA VAL 43 HA VAL 43 -4.264 -14.974 12.688 321 HB VAL 43 HB VAL 43 -6.535 -15.950 12.821 322 HG11 VAL 43 HG11 VAL 43 -6.308 -13.053 11.988 323 HG12 VAL 43 HG12 VAL 43 -6.288 -13.709 13.625 324 HG13 VAL 43 HG13 VAL 43 -7.777 -13.746 12.679 325 HG21 VAL 43 HG21 VAL 43 -6.836 -14.772 10.030 326 HG22 VAL 43 HG22 VAL 43 -8.174 -15.378 11.006 327 HG23 VAL 43 HG23 VAL 43 -6.915 -16.481 10.455 328 H LEU 44 HN LEU 44 -4.786 -16.203 9.442 329 HA LEU 44 HA LEU 44 -4.196 -18.154 8.399 330 HB2 LEU 44 HB2 LEU 44 -2.453 -18.587 10.842 331 HB3 LEU 44 HB1 LEU 44 -2.316 -19.449 9.311 332 HG LEU 44 HG LEU 44 -2.013 -16.435 9.594 333 HD11 LEU 44 HD11 LEU 44 0.124 -18.560 9.283 334 HD12 LEU 44 HD12 LEU 44 -0.228 -17.693 10.777 335 HD13 LEU 44 HD13 LEU 44 0.390 -16.819 9.374 336 HD21 LEU 44 HD21 LEU 44 -0.974 -16.666 7.320 337 HD22 LEU 44 HD22 LEU 44 -2.673 -17.133 7.331 338 HD23 LEU 44 HD23 LEU 44 -1.418 -18.373 7.321 339 H GLU 45 HN GLU 45 -6.107 -18.118 11.090 340 HA GLU 45 HA GLU 45 -6.279 -20.872 11.800 341 HB2 GLU 45 HB2 GLU 45 -8.165 -18.547 12.154 342 HB3 GLU 45 HB1 GLU 45 -8.484 -20.158 12.792 343 HG2 GLU 45 HG2 GLU 45 -6.448 -20.096 14.132 344 HG3 GLU 45 HG1 GLU 45 -5.979 -18.564 13.408 345 H GLY 46 HN GLY 46 -7.878 -18.825 9.469 346 HA2 GLY 46 HA2 GLY 46 -8.492 -20.618 7.533 347 HA3 GLY 46 HA1 GLY 46 -9.859 -20.747 8.649 348 H CYS 47 HN CYS 47 -7.851 -18.067 7.598 349 HA CYS 47 HA CYS 47 -9.855 -16.121 7.580 350 HB2 CYS 47 HB2 CYS 47 -7.364 -15.832 7.637 351 HB3 CYS 47 HB1 CYS 47 -7.355 -16.135 5.899 352 H HIS 48 HN HIS 48 -8.497 -18.069 4.940 353 HA HIS 48 HA HIS 48 -10.957 -17.949 3.445 354 HB2 HIS 48 HB2 HIS 48 -9.829 -15.768 2.874 355 HB3 HIS 48 HB1 HIS 48 -8.491 -16.710 2.212 356 HD2 HIS 48 HD2 HIS 48 -8.841 -17.183 -0.478 357 HE1 HIS 48 HE1 HIS 48 -13.055 -16.982 -0.604 358 HE2 HIS 48 HE2 HIS 48 -10.958 -17.308 -1.999 359 H ARG 49 HN ARG 49 -9.507 -20.041 4.599 360 HA ARG 49 HA ARG 49 -8.948 -22.204 4.131 361 HB2 ARG 49 HB2 ARG 49 -10.455 -21.976 2.110 362 HB3 ARG 49 HB1 ARG 49 -9.022 -21.559 1.171 363 HG2 ARG 49 HG2 ARG 49 -7.990 -23.693 1.688 364 HG3 ARG 49 HG1 ARG 49 -9.312 -24.108 2.782 365 HD2 ARG 49 HD2 ARG 49 -9.717 -25.234 0.686 366 HD3 ARG 49 HD1 ARG 49 -10.887 -23.928 0.836 367 HE ARG 49 HE ARG 49 -8.602 -22.981 -0.550 368 HH11 ARG 49 HH11 ARG 49 -11.342 -25.120 -1.037 369 HH12 ARG 49 HH12 ARG 49 -11.367 -24.901 -2.756 370 HH21 ARG 49 HH21 ARG 49 -8.665 -22.721 -2.798 371 HH22 ARG 49 HH22 ARG 49 -9.857 -23.548 -3.744 372 H GLU 50 HN GLU 50 -7.263 -19.909 1.983 373 HA GLU 50 HA GLU 50 -5.069 -19.378 1.803 374 HB2 GLU 50 HB2 GLU 50 -4.376 -21.558 3.827 375 HB3 GLU 50 HB1 GLU 50 -3.364 -20.217 3.312 376 HG2 GLU 50 HG2 GLU 50 -4.907 -18.610 4.313 377 HG3 GLU 50 HG1 GLU 50 -6.017 -19.907 4.744 378 H THR 51 HN THR 51 -4.383 -22.826 2.402 379 HA THR 51 HA THR 51 -4.501 -23.529 -0.364 380 HB THR 51 HB THR 51 -1.727 -23.460 0.834 381 HG1 THR 51 HG1 THR 51 -1.713 -21.436 0.345 382 HG21 THR 51 HG21 THR 51 -1.893 -25.073 -0.907 383 HG22 THR 51 HG22 THR 51 -1.167 -23.646 -1.646 384 HG23 THR 51 HG23 THR 51 -2.875 -24.001 -1.908 385 H GLY 52 HN GLY 52 -2.904 -24.297 2.718 386 HA2 GLY 52 HA2 GLY 52 -4.255 -26.770 3.058 387 HA3 GLY 52 HA1 GLY 52 -2.619 -27.038 2.458 388 HA PRO 53 HA PRO 53 -2.669 -26.240 7.193 389 HB2 PRO 53 HB2 PRO 53 -1.983 -28.691 8.117 390 HB3 PRO 53 HB1 PRO 53 -3.670 -28.224 7.810 391 HG2 PRO 53 HG2 PRO 53 -1.814 -29.808 6.090 392 HG3 PRO 53 HG1 PRO 53 -3.513 -30.122 6.495 393 HD2 PRO 53 HD2 PRO 53 -2.804 -28.995 4.137 394 HD3 PRO 53 HD1 PRO 53 -4.318 -28.561 4.968 395 H LYS 54 HN LYS 54 -0.805 -25.833 8.399 396 HA LYS 54 HA LYS 54 1.746 -26.913 7.468 397 HB2 LYS 54 HB2 LYS 54 2.797 -24.627 7.630 398 HB3 LYS 54 HB1 LYS 54 1.764 -24.910 6.236 399 HG2 LYS 54 HG2 LYS 54 -0.021 -23.617 7.182 400 HG3 LYS 54 HG1 LYS 54 0.748 -23.561 8.764 401 HD2 LYS 54 HD2 LYS 54 1.093 -21.413 7.645 402 HD3 LYS 54 HD1 LYS 54 2.639 -22.252 7.755 403 HE2 LYS 54 HE2 LYS 54 2.378 -23.059 5.452 404 HE3 LYS 54 HE1 LYS 54 0.835 -22.206 5.311 405 HZ1 LYS 54 HZ1 LYS 54 3.253 -20.727 6.120 406 HZ2 LYS 54 HZ2 LYS 54 1.853 -20.153 5.347 407 HZ3 LYS 54 HZ3 LYS 54 2.995 -21.064 4.478 408 HA PRO 55 HA PRO 55 1.510 -26.970 12.134 409 HB2 PRO 55 HB2 PRO 55 2.963 -29.266 12.419 410 HB3 PRO 55 HB1 PRO 55 1.207 -29.257 12.140 411 HG2 PRO 55 HG2 PRO 55 3.426 -29.624 10.177 412 HG3 PRO 55 HG1 PRO 55 1.943 -30.569 10.382 413 HD2 PRO 55 HD2 PRO 55 2.101 -28.727 8.455 414 HD3 PRO 55 HD1 PRO 55 0.593 -28.930 9.384 415 H THR 56 HN THR 56 4.042 -26.975 9.746 416 HA THR 56 HA THR 56 6.331 -26.993 11.347 417 HB THR 56 HB THR 56 6.026 -25.466 8.755 418 HG1 THR 56 HG1 THR 56 6.767 -27.570 7.917 419 HG21 THR 56 HG21 THR 56 8.350 -26.808 10.157 420 HG22 THR 56 HG22 THR 56 8.145 -25.082 9.853 421 HG23 THR 56 HG23 THR 56 8.415 -26.188 8.507 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 -0.630 -9.001 -18.756 2 H2 GLU 1 HT2 GLU 1 0.131 -8.317 -20.112 3 H3 GLU 1 HT3 GLU 1 -0.630 -9.831 -20.235 4 HA GLU 1 HA GLU 1 -2.000 -8.163 -21.248 5 HB2 GLU 1 HB2 GLU 1 -2.962 -10.101 -19.905 6 HB3 GLU 1 HB1 GLU 1 -3.207 -8.959 -18.583 7 HG2 GLU 1 HG2 GLU 1 -4.629 -7.564 -20.013 8 HG3 GLU 1 HG1 GLU 1 -4.325 -8.625 -21.384 9 H ALA 2 HN ALA 2 -0.149 -6.465 -20.331 10 HA ALA 2 HA ALA 2 -0.874 -4.645 -18.300 11 HB1 ALA 2 HB1 ALA 2 0.646 -3.069 -19.593 12 HB2 ALA 2 HB2 ALA 2 0.859 -4.380 -20.750 13 HB3 ALA 2 HB3 ALA 2 1.368 -4.592 -19.075 14 H SER 3 HN SER 3 -1.652 -4.796 -21.730 15 HA SER 3 HA SER 3 -2.717 -2.252 -22.112 16 HB2 SER 3 HB2 SER 3 -3.380 -4.876 -23.442 17 HB3 SER 3 HB1 SER 3 -3.985 -3.321 -24.001 18 HG SER 3 HG SER 3 -1.772 -2.668 -24.179 19 H VAL 4 HN VAL 4 -4.289 -5.193 -20.879 20 HA VAL 4 HA VAL 4 -6.748 -3.609 -20.397 21 HB VAL 4 HB VAL 4 -6.445 -6.621 -20.715 22 HG11 VAL 4 HG11 VAL 4 -8.273 -5.939 -19.122 23 HG12 VAL 4 HG12 VAL 4 -8.885 -6.715 -20.583 24 HG13 VAL 4 HG13 VAL 4 -8.976 -4.963 -20.412 25 HG21 VAL 4 HG21 VAL 4 -7.754 -4.522 -22.480 26 HG22 VAL 4 HG22 VAL 4 -7.725 -6.256 -22.801 27 HG23 VAL 4 HG23 VAL 4 -6.224 -5.327 -22.825 28 H ARG 5 HN ARG 5 -7.307 -3.146 -18.397 29 HA ARG 5 HA ARG 5 -5.733 -3.914 -16.136 30 HB2 ARG 5 HB2 ARG 5 -8.328 -2.384 -16.360 31 HB3 ARG 5 HB1 ARG 5 -7.453 -2.622 -14.847 32 HG2 ARG 5 HG2 ARG 5 -5.483 -1.507 -15.772 33 HG3 ARG 5 HG1 ARG 5 -6.290 -1.325 -17.329 34 HD2 ARG 5 HD2 ARG 5 -6.454 0.769 -16.082 35 HD3 ARG 5 HD1 ARG 5 -8.050 0.044 -16.234 36 HE ARG 5 HE ARG 5 -6.810 -0.802 -13.807 37 HH11 ARG 5 HH11 ARG 5 -8.364 2.005 -15.240 38 HH12 ARG 5 HH12 ARG 5 -8.898 2.640 -13.720 39 HH21 ARG 5 HH21 ARG 5 -7.510 0.071 -11.841 40 HH22 ARG 5 HH22 ARG 5 -8.404 1.554 -11.803 41 H TYR 6 HN TYR 6 -6.657 -4.796 -14.104 42 HA TYR 6 HA TYR 6 -8.985 -6.493 -14.274 43 HB2 TYR 6 HB2 TYR 6 -7.194 -7.907 -15.310 44 HB3 TYR 6 HB1 TYR 6 -6.257 -7.751 -13.824 45 HD1 TYR 6 HD1 TYR 6 -9.470 -9.007 -15.233 46 HD2 TYR 6 HD2 TYR 6 -6.760 -9.081 -11.900 47 HE1 TYR 6 HE1 TYR 6 -10.747 -10.882 -14.232 48 HE2 TYR 6 HE2 TYR 6 -8.038 -10.956 -10.902 49 HH TYR 6 HH TYR 6 -11.032 -11.739 -11.651 50 H ILE 7 HN ILE 7 -9.852 -5.569 -12.496 51 HA ILE 7 HA ILE 7 -8.360 -5.825 -9.974 52 HB ILE 7 HB ILE 7 -8.991 -3.557 -9.303 53 HG12 ILE 7 HG12 ILE 7 -9.895 -3.099 -12.165 54 HG13 ILE 7 HG11 ILE 7 -11.038 -3.492 -10.875 55 HG21 ILE 7 HG21 ILE 7 -7.451 -2.333 -10.779 56 HG22 ILE 7 HG22 ILE 7 -7.537 -3.650 -11.950 57 HG23 ILE 7 HG23 ILE 7 -6.814 -3.926 -10.366 58 HD11 ILE 7 HD11 ILE 7 -10.812 -1.022 -11.271 59 HD12 ILE 7 HD12 ILE 7 -9.119 -1.137 -10.792 60 HD13 ILE 7 HD13 ILE 7 -10.391 -1.502 -9.628 61 H THR 8 HN THR 8 -9.823 -5.314 -8.046 62 HA THR 8 HA THR 8 -12.455 -6.578 -8.517 63 HB THR 8 HB THR 8 -11.009 -7.924 -7.070 64 HG1 THR 8 HG1 THR 8 -12.607 -8.303 -5.754 65 HG21 THR 8 HG21 THR 8 -9.526 -6.215 -6.185 66 HG22 THR 8 HG22 THR 8 -10.334 -7.011 -4.834 67 HG23 THR 8 HG23 THR 8 -10.870 -5.417 -5.367 68 H TYR 9 HN TYR 9 -14.257 -5.889 -7.227 69 HA TYR 9 HA TYR 9 -14.570 -3.063 -7.182 70 HB2 TYR 9 HB2 TYR 9 -16.834 -3.551 -6.318 71 HB3 TYR 9 HB1 TYR 9 -16.434 -4.638 -7.647 72 HD1 TYR 9 HD1 TYR 9 -16.877 -4.372 -3.977 73 HD2 TYR 9 HD2 TYR 9 -16.072 -7.015 -7.270 74 HE1 TYR 9 HE1 TYR 9 -17.283 -6.322 -2.510 75 HE2 TYR 9 HE2 TYR 9 -16.480 -8.969 -5.804 76 HH TYR 9 HH TYR 9 -17.245 -8.574 -2.337 77 HA PRO 10 HA PRO 10 -13.276 -2.006 -3.031 78 HB2 PRO 10 HB2 PRO 10 -15.217 -0.286 -2.143 79 HB3 PRO 10 HB1 PRO 10 -13.962 0.176 -3.313 80 HG2 PRO 10 HG2 PRO 10 -16.795 -0.617 -3.804 81 HG3 PRO 10 HG1 PRO 10 -15.843 0.689 -4.537 82 HD2 PRO 10 HD2 PRO 10 -16.259 -1.625 -5.845 83 HD3 PRO 10 HD1 PRO 10 -14.721 -0.743 -5.988 84 H ALA 11 HN ALA 11 -13.369 -3.340 -1.314 85 HA ALA 11 HA ALA 11 -15.511 -5.091 -0.753 86 HB1 ALA 11 HB1 ALA 11 -13.287 -4.273 1.119 87 HB2 ALA 11 HB2 ALA 11 -13.121 -5.489 -0.149 88 HB3 ALA 11 HB3 ALA 11 -14.243 -5.754 1.185 89 H ILE 12 HN ILE 12 -14.519 -2.021 0.641 90 HA ILE 12 HA ILE 12 -16.395 -2.013 2.778 91 HB ILE 12 HB ILE 12 -15.069 0.397 1.508 92 HG12 ILE 12 HG12 ILE 12 -13.327 -1.278 2.107 93 HG13 ILE 12 HG11 ILE 12 -13.243 0.107 3.192 94 HG21 ILE 12 HG21 ILE 12 -16.689 1.216 2.991 95 HG22 ILE 12 HG22 ILE 12 -15.228 1.189 3.977 96 HG23 ILE 12 HG23 ILE 12 -16.430 -0.090 4.151 97 HD11 ILE 12 HD11 ILE 12 -13.016 -2.069 4.409 98 HD12 ILE 12 HD12 ILE 12 -14.623 -2.532 3.847 99 HD13 ILE 12 HD13 ILE 12 -14.433 -1.161 4.940 100 H ASP 13 HN ASP 13 -17.007 -1.844 -0.500 101 HA ASP 13 HA ASP 13 -18.793 -1.204 -1.778 102 HB2 ASP 13 HB2 ASP 13 -20.084 -2.261 0.150 103 HB3 ASP 13 HB1 ASP 13 -20.250 -0.647 0.830 104 H ARG 14 HN ARG 14 -16.846 0.534 -1.525 105 HA ARG 14 HA ARG 14 -17.430 3.097 -0.515 106 HB2 ARG 14 HB2 ARG 14 -15.513 2.204 -2.686 107 HB3 ARG 14 HB1 ARG 14 -15.520 3.807 -1.948 108 HG2 ARG 14 HG2 ARG 14 -15.114 2.792 0.274 109 HG3 ARG 14 HG1 ARG 14 -15.121 1.192 -0.455 110 HD2 ARG 14 HD2 ARG 14 -13.186 1.776 -1.845 111 HD3 ARG 14 HD1 ARG 14 -13.175 3.404 -1.173 112 HE ARG 14 HE ARG 14 -12.205 2.556 0.769 113 HH11 ARG 14 HH11 ARG 14 -13.251 -0.120 -1.240 114 HH12 ARG 14 HH12 ARG 14 -12.424 -1.310 -0.294 115 HH21 ARG 14 HH21 ARG 14 -11.144 0.967 1.981 116 HH22 ARG 14 HH22 ARG 14 -11.242 -0.698 1.514 117 H GLY 15 HN GLY 15 -18.258 4.930 -1.469 118 HA2 GLY 15 HA2 GLY 15 -18.880 5.185 -4.249 119 HA3 GLY 15 HA1 GLY 15 -20.311 4.774 -3.315 120 H ASP 16 HN ASP 16 -20.193 7.129 -4.687 121 HA ASP 16 HA ASP 16 -20.533 9.375 -4.486 122 HB2 ASP 16 HB2 ASP 16 -22.112 8.387 -2.740 123 HB3 ASP 16 HB1 ASP 16 -20.923 8.888 -1.538 124 H HIS 17 HN HIS 17 -17.816 8.575 -4.403 125 HA HIS 17 HA HIS 17 -16.623 10.514 -2.508 126 HB2 HIS 17 HB2 HIS 17 -15.383 8.146 -3.926 127 HB3 HIS 17 HB1 HIS 17 -14.463 9.337 -3.006 128 HD2 HIS 17 HD2 HIS 17 -14.688 9.101 -0.196 129 HE1 HIS 17 HE1 HIS 17 -17.240 5.738 -0.205 130 HE2 HIS 17 HE2 HIS 17 -15.809 7.244 1.255 131 H ALA 18 HN ALA 18 -16.166 12.408 -3.355 132 HA ALA 18 HA ALA 18 -16.115 12.883 -6.171 133 HB1 ALA 18 HB1 ALA 18 -16.916 14.581 -4.606 134 HB2 ALA 18 HB2 ALA 18 -15.553 15.193 -5.544 135 HB3 ALA 18 HB3 ALA 18 -15.314 14.678 -3.874 136 H VAL 19 HN VAL 19 -14.459 13.095 -7.545 137 HA VAL 19 HA VAL 19 -11.733 13.399 -6.606 138 HB VAL 19 HB VAL 19 -12.055 10.946 -6.504 139 HG11 VAL 19 HG11 VAL 19 -13.812 10.962 -8.360 140 HG12 VAL 19 HG12 VAL 19 -12.657 9.630 -8.381 141 HG13 VAL 19 HG13 VAL 19 -12.462 10.984 -9.494 142 HG21 VAL 19 HG21 VAL 19 -10.144 10.306 -7.961 143 HG22 VAL 19 HG22 VAL 19 -9.824 11.819 -7.114 144 HG23 VAL 19 HG23 VAL 19 -10.290 11.843 -8.814 145 H HIS 20 HN HIS 20 -10.684 14.739 -7.947 146 HA HIS 20 HA HIS 20 -11.492 14.857 -10.784 147 HB2 HIS 20 HB2 HIS 20 -11.045 17.273 -9.012 148 HB3 HIS 20 HB1 HIS 20 -11.317 17.314 -10.752 149 HD2 HIS 20 HD2 HIS 20 -13.398 17.437 -7.575 150 HE1 HIS 20 HE1 HIS 20 -16.058 16.212 -10.614 151 HE2 HIS 20 HE2 HIS 20 -15.896 17.054 -8.226 152 H CYS 21 HN CYS 21 -9.908 15.270 -12.248 153 HA CYS 21 HA CYS 21 -7.135 15.129 -11.279 154 HB2 CYS 21 HB2 CYS 21 -8.282 14.818 -14.062 155 HB3 CYS 21 HB1 CYS 21 -6.584 14.606 -13.632 156 H ASP 22 HN ASP 22 -5.667 16.778 -11.622 157 HA ASP 22 HA ASP 22 -6.698 19.387 -11.988 158 HB2 ASP 22 HB2 ASP 22 -4.618 18.677 -10.686 159 HB3 ASP 22 HB1 ASP 22 -3.799 18.607 -12.245 160 H LYS 23 HN LYS 23 -6.958 20.579 -13.772 161 HA LYS 23 HA LYS 23 -6.665 19.416 -16.356 162 HB2 LYS 23 HB2 LYS 23 -7.348 22.187 -15.375 163 HB3 LYS 23 HB1 LYS 23 -7.091 21.885 -17.091 164 HG2 LYS 23 HG2 LYS 23 -9.437 21.632 -16.748 165 HG3 LYS 23 HG1 LYS 23 -8.809 19.989 -16.862 166 HD2 LYS 23 HD2 LYS 23 -8.867 19.722 -14.466 167 HD3 LYS 23 HD1 LYS 23 -9.240 21.432 -14.230 168 HE2 LYS 23 HE2 LYS 23 -11.381 21.112 -15.430 169 HE3 LYS 23 HE1 LYS 23 -11.009 19.398 -15.617 170 HZ1 LYS 23 HZ1 LYS 23 -10.722 19.491 -13.065 171 HZ2 LYS 23 HZ2 LYS 23 -12.286 19.420 -13.724 172 HZ3 LYS 23 HZ3 LYS 23 -11.661 20.899 -13.170 173 H ALA 24 HN ALA 24 -4.528 21.224 -14.335 174 HA ALA 24 HA ALA 24 -2.661 21.781 -16.544 175 HB1 ALA 24 HB1 ALA 24 -1.389 22.848 -14.445 176 HB2 ALA 24 HB2 ALA 24 -3.029 22.885 -13.799 177 HB3 ALA 24 HB3 ALA 24 -2.658 23.717 -15.305 178 H HIS 25 HN HIS 25 -3.141 19.769 -13.744 179 HA HIS 25 HA HIS 25 -0.630 18.347 -14.347 180 HB2 HIS 25 HB2 HIS 25 -1.811 18.998 -11.634 181 HB3 HIS 25 HB1 HIS 25 -0.535 17.810 -11.870 182 HD2 HIS 25 HD2 HIS 25 2.007 18.932 -11.940 183 HE1 HIS 25 HE1 HIS 25 0.843 22.956 -12.483 184 HE2 HIS 25 HE2 HIS 25 2.822 21.407 -12.101 185 HA PRO 26 HA PRO 26 -4.529 15.559 -14.293 186 HB2 PRO 26 HB2 PRO 26 -4.685 14.902 -16.900 187 HB3 PRO 26 HB1 PRO 26 -5.418 16.387 -16.251 188 HG2 PRO 26 HG2 PRO 26 -2.811 16.033 -17.638 189 HG3 PRO 26 HG1 PRO 26 -4.084 17.231 -17.957 190 HD2 PRO 26 HD2 PRO 26 -1.912 17.867 -16.489 191 HD3 PRO 26 HD1 PRO 26 -3.514 18.530 -16.102 192 H ASN 27 HN ASN 27 -1.348 15.438 -15.694 193 HA ASN 27 HA ASN 27 -1.210 12.590 -16.074 194 HB2 ASN 27 HB2 ASN 27 1.132 12.928 -16.573 195 HB3 ASN 27 HB1 ASN 27 0.189 14.188 -17.362 196 HD21 ASN 27 HD21 ASN 27 2.992 14.515 -16.748 197 HD22 ASN 27 HD22 ASN 27 3.134 15.743 -15.585 198 H THR 28 HN THR 28 -0.996 14.572 -13.297 199 HA THR 28 HA THR 28 0.419 12.470 -11.777 200 HB THR 28 HB THR 28 0.731 14.201 -10.024 201 HG1 THR 28 HG1 THR 28 -0.103 16.126 -10.258 202 HG21 THR 28 HG21 THR 28 1.750 14.724 -12.818 203 HG22 THR 28 HG22 THR 28 2.572 13.908 -11.489 204 HG23 THR 28 HG23 THR 28 2.309 15.651 -11.425 205 H CYS 29 HN CYS 29 -2.610 13.034 -12.631 206 HA CYS 29 HA CYS 29 -4.046 13.200 -10.186 207 HB2 CYS 29 HB2 CYS 29 -5.003 13.876 -12.312 208 HB3 CYS 29 HB1 CYS 29 -4.884 12.225 -12.910 209 H LYS 30 HN LYS 30 -4.668 11.697 -8.809 210 HA LYS 30 HA LYS 30 -4.158 8.862 -9.497 211 HB2 LYS 30 HB2 LYS 30 -3.503 10.223 -6.867 212 HB3 LYS 30 HB1 LYS 30 -3.224 8.531 -7.262 213 HG2 LYS 30 HG2 LYS 30 -1.985 10.844 -8.780 214 HG3 LYS 30 HG1 LYS 30 -1.157 9.986 -7.497 215 HD2 LYS 30 HD2 LYS 30 -1.420 7.878 -8.807 216 HD3 LYS 30 HD1 LYS 30 -2.150 8.801 -10.111 217 HE2 LYS 30 HE2 LYS 30 -0.095 10.158 -10.304 218 HE3 LYS 30 HE1 LYS 30 0.645 9.214 -9.013 219 HZ1 LYS 30 HZ1 LYS 30 -0.082 8.356 -11.741 220 HZ2 LYS 30 HZ2 LYS 30 0.077 7.219 -10.489 221 HZ3 LYS 30 HZ3 LYS 30 1.400 8.189 -10.933 222 H LYS 31 HN LYS 31 -5.400 7.317 -8.399 223 HA LYS 31 HA LYS 31 -8.050 8.228 -7.627 224 HB2 LYS 31 HB2 LYS 31 -6.977 5.402 -7.882 225 HB3 LYS 31 HB1 LYS 31 -8.663 5.843 -7.648 226 HG2 LYS 31 HG2 LYS 31 -7.040 6.802 -10.009 227 HG3 LYS 31 HG1 LYS 31 -7.989 5.319 -10.058 228 HD2 LYS 31 HD2 LYS 31 -9.182 8.021 -9.342 229 HD3 LYS 31 HD1 LYS 31 -9.146 7.397 -10.986 230 HE2 LYS 31 HE2 LYS 31 -10.370 5.359 -10.195 231 HE3 LYS 31 HE1 LYS 31 -10.509 6.103 -8.603 232 HZ1 LYS 31 HZ1 LYS 31 -12.404 6.389 -10.309 233 HZ2 LYS 31 HZ2 LYS 31 -11.394 7.572 -10.990 234 HZ3 LYS 31 HZ3 LYS 31 -11.918 7.721 -9.381 235 H LYS 32 HN LYS 32 -9.032 7.734 -5.677 236 HA LYS 32 HA LYS 32 -7.164 7.084 -3.465 237 HB2 LYS 32 HB2 LYS 32 -9.184 9.344 -3.452 238 HB3 LYS 32 HB1 LYS 32 -8.044 8.942 -2.170 239 HG2 LYS 32 HG2 LYS 32 -7.175 9.711 -4.976 240 HG3 LYS 32 HG1 LYS 32 -7.285 10.869 -3.665 241 HD2 LYS 32 HD2 LYS 32 -5.629 9.583 -2.379 242 HD3 LYS 32 HD1 LYS 32 -5.537 8.388 -3.672 243 HE2 LYS 32 HE2 LYS 32 -4.829 10.152 -5.238 244 HE3 LYS 32 HE1 LYS 32 -4.855 11.328 -3.921 245 HZ1 LYS 32 HZ1 LYS 32 -3.284 8.849 -3.659 246 HZ2 LYS 32 HZ2 LYS 32 -3.063 10.345 -2.884 247 HZ3 LYS 32 HZ3 LYS 32 -2.645 10.162 -4.520 248 H GLN 33 HN GLN 33 -8.049 6.177 -1.614 249 HA GLN 33 HA GLN 33 -10.887 5.679 -1.426 250 HB2 GLN 33 HB2 GLN 33 -10.723 3.226 -1.381 251 HB3 GLN 33 HB1 GLN 33 -10.202 3.856 -2.940 252 HG2 GLN 33 HG2 GLN 33 -8.064 3.475 -0.868 253 HG3 GLN 33 HG1 GLN 33 -8.774 2.025 -1.566 254 HE21 GLN 33 HE21 GLN 33 -6.913 1.455 -2.823 255 HE22 GLN 33 HE22 GLN 33 -6.388 2.384 -4.142 256 H ALA 34 HN ALA 34 -11.407 4.380 0.595 257 HA ALA 34 HA ALA 34 -10.154 5.551 2.839 258 HB1 ALA 34 HB1 ALA 34 -12.112 3.295 2.497 259 HB2 ALA 34 HB2 ALA 34 -12.358 4.875 3.233 260 HB3 ALA 34 HB3 ALA 34 -11.422 3.641 4.077 261 H ASN 35 HN ASN 35 -8.590 4.858 4.226 262 HA ASN 35 HA ASN 35 -6.711 2.912 3.275 263 HB2 ASN 35 HB2 ASN 35 -6.865 4.436 5.877 264 HB3 ASN 35 HB1 ASN 35 -5.529 3.387 5.422 265 HD21 ASN 35 HD21 ASN 35 -5.703 6.452 5.758 266 HD22 ASN 35 HD22 ASN 35 -5.053 7.054 4.310 267 HA PRO 36 HA PRO 36 -8.204 -0.737 5.315 268 HB2 PRO 36 HB2 PRO 36 -5.963 -2.178 5.694 269 HB3 PRO 36 HB1 PRO 36 -6.614 -1.860 4.070 270 HG2 PRO 36 HG2 PRO 36 -4.377 -0.522 5.498 271 HG3 PRO 36 HG1 PRO 36 -4.484 -1.039 3.807 272 HD2 PRO 36 HD2 PRO 36 -4.875 1.543 4.591 273 HD3 PRO 36 HD1 PRO 36 -5.647 0.843 3.156 274 H TYR 37 HN TYR 37 -5.692 1.130 6.836 275 HA TYR 37 HA TYR 37 -5.599 -0.137 9.364 276 HB2 TYR 37 HB2 TYR 37 -3.845 1.356 8.477 277 HB3 TYR 37 HB1 TYR 37 -4.956 2.716 8.575 278 HD1 TYR 37 HD1 TYR 37 -3.317 0.063 10.652 279 HD2 TYR 37 HD2 TYR 37 -5.170 3.939 10.610 280 HE1 TYR 37 HE1 TYR 37 -2.660 0.401 13.019 281 HE2 TYR 37 HE2 TYR 37 -4.512 4.278 12.979 282 HH TYR 37 HH TYR 37 -3.876 2.200 15.027 283 H ARG 38 HN ARG 38 -6.939 -0.031 11.046 284 HA ARG 38 HA ARG 38 -8.648 2.234 11.579 285 HB2 ARG 38 HB2 ARG 38 -9.930 0.900 9.834 286 HB3 ARG 38 HB1 ARG 38 -10.013 -0.407 11.014 287 HG2 ARG 38 HG2 ARG 38 -11.162 1.050 12.578 288 HG3 ARG 38 HG1 ARG 38 -11.040 2.392 11.436 289 HD2 ARG 38 HD2 ARG 38 -13.200 1.437 11.165 290 HD3 ARG 38 HD1 ARG 38 -12.269 0.961 9.762 291 HE ARG 38 HE ARG 38 -12.053 -1.038 11.777 292 HH11 ARG 38 HH11 ARG 38 -14.367 0.226 9.450 293 HH12 ARG 38 HH12 ARG 38 -15.243 -1.263 9.329 294 HH21 ARG 38 HH21 ARG 38 -13.248 -2.954 11.613 295 HH22 ARG 38 HH22 ARG 38 -14.611 -3.053 10.549 296 H ARG 39 HN ARG 39 -9.637 2.124 13.652 297 HA ARG 39 HA ARG 39 -8.667 -0.073 15.357 298 HB2 ARG 39 HB2 ARG 39 -7.355 2.036 15.686 299 HB3 ARG 39 HB1 ARG 39 -8.852 2.845 16.141 300 HG2 ARG 39 HG2 ARG 39 -9.158 1.349 18.032 301 HG3 ARG 39 HG1 ARG 39 -7.761 0.386 17.547 302 HD2 ARG 39 HD2 ARG 39 -7.077 1.880 19.330 303 HD3 ARG 39 HD1 ARG 39 -6.331 2.422 17.830 304 HE ARG 39 HE ARG 39 -8.823 3.753 18.244 305 HH11 ARG 39 HH11 ARG 39 -5.492 3.745 19.373 306 HH12 ARG 39 HH12 ARG 39 -5.528 5.405 19.867 307 HH21 ARG 39 HH21 ARG 39 -8.830 5.913 18.923 308 HH22 ARG 39 HH22 ARG 39 -7.409 6.625 19.612 309 H GLY 40 HN GLY 40 -10.399 -1.186 15.877 310 HA2 GLY 40 HA2 GLY 40 -12.802 0.274 16.753 311 HA3 GLY 40 HA1 GLY 40 -12.930 -1.104 15.663 312 H CYS 41 HN CYS 41 -14.369 -1.714 17.611 313 HA CYS 41 HA CYS 41 -13.117 -2.606 20.020 314 HB2 CYS 41 HB2 CYS 41 -15.272 -3.635 20.517 315 HB3 CYS 41 HB1 CYS 41 -15.509 -2.011 19.877 316 H GLY 42 HN GLY 42 -12.798 -4.766 20.727 317 HA2 GLY 42 HA2 GLY 42 -12.488 -6.764 18.558 318 HA3 GLY 42 HA1 GLY 42 -11.282 -6.559 19.817 319 H VAL 43 HN VAL 43 -14.369 -6.123 21.125 320 HA VAL 43 HA VAL 43 -14.248 -8.463 22.725 321 HB VAL 43 HB VAL 43 -16.519 -7.799 23.481 322 HG11 VAL 43 HG11 VAL 43 -14.558 -6.795 24.529 323 HG12 VAL 43 HG12 VAL 43 -15.834 -5.587 24.398 324 HG13 VAL 43 HG13 VAL 43 -14.480 -5.567 23.266 325 HG21 VAL 43 HG21 VAL 43 -16.243 -5.459 21.567 326 HG22 VAL 43 HG22 VAL 43 -17.636 -5.873 22.567 327 HG23 VAL 43 HG23 VAL 43 -17.213 -6.883 21.191 328 H LEU 44 HN LEU 44 -15.800 -7.734 19.686 329 HA LEU 44 HA LEU 44 -16.961 -8.999 18.165 330 HB2 LEU 44 HB2 LEU 44 -15.649 -11.271 19.676 331 HB3 LEU 44 HB1 LEU 44 -16.492 -11.446 18.139 332 HG LEU 44 HG LEU 44 -14.139 -9.563 18.549 333 HD11 LEU 44 HD11 LEU 44 -13.486 -11.946 18.876 334 HD12 LEU 44 HD12 LEU 44 -12.784 -11.269 17.406 335 HD13 LEU 44 HD13 LEU 44 -14.184 -12.334 17.304 336 HD21 LEU 44 HD21 LEU 44 -15.687 -10.562 16.129 337 HD22 LEU 44 HD22 LEU 44 -14.098 -9.814 15.977 338 HD23 LEU 44 HD23 LEU 44 -15.449 -8.891 16.638 339 H GLU 45 HN GLU 45 -17.992 -8.637 21.172 340 HA GLU 45 HA GLU 45 -19.884 -10.702 21.619 341 HB2 GLU 45 HB2 GLU 45 -19.729 -7.845 22.571 342 HB3 GLU 45 HB1 GLU 45 -20.956 -8.986 23.122 343 HG2 GLU 45 HG2 GLU 45 -19.272 -10.479 24.016 344 HG3 GLU 45 HG1 GLU 45 -17.979 -9.520 23.309 345 H GLY 46 HN GLY 46 -19.969 -7.667 19.871 346 HA2 GLY 46 HA2 GLY 46 -21.903 -8.291 18.013 347 HA3 GLY 46 HA1 GLY 46 -22.786 -7.605 19.379 348 H CYS 47 HN CYS 47 -20.651 -5.802 20.175 349 HA CYS 47 HA CYS 47 -20.174 -3.574 19.889 350 HB2 CYS 47 HB2 CYS 47 -18.720 -5.069 18.134 351 HB3 CYS 47 HB1 CYS 47 -19.487 -3.929 17.031 352 H HIS 48 HN HIS 48 -22.959 -4.484 19.074 353 HA HIS 48 HA HIS 48 -23.764 -1.974 17.814 354 HB2 HIS 48 HB2 HIS 48 -23.407 -3.641 15.956 355 HB3 HIS 48 HB1 HIS 48 -24.673 -4.631 16.676 356 HD2 HIS 48 HD2 HIS 48 -24.338 -1.460 14.455 357 HE1 HIS 48 HE1 HIS 48 -28.441 -1.946 15.328 358 HE2 HIS 48 HE2 HIS 48 -26.764 -0.662 13.917 359 H ARG 49 HN ARG 49 -25.353 -1.182 19.043 360 HA ARG 49 HA ARG 49 -27.658 -2.690 19.809 361 HB2 ARG 49 HB2 ARG 49 -25.787 -3.460 21.423 362 HB3 ARG 49 HB1 ARG 49 -25.972 -1.873 22.165 363 HG2 ARG 49 HG2 ARG 49 -28.368 -2.329 22.567 364 HG3 ARG 49 HG1 ARG 49 -28.199 -3.906 21.797 365 HD2 ARG 49 HD2 ARG 49 -26.526 -4.539 23.501 366 HD3 ARG 49 HD1 ARG 49 -26.743 -2.976 24.283 367 HE ARG 49 HE ARG 49 -29.268 -4.219 24.045 368 HH11 ARG 49 HH11 ARG 49 -26.256 -4.644 25.805 369 HH12 ARG 49 HH12 ARG 49 -27.013 -5.417 27.158 370 HH21 ARG 49 HH21 ARG 49 -30.216 -5.226 25.837 371 HH22 ARG 49 HH22 ARG 49 -29.244 -5.743 27.172 372 H GLU 50 HN GLU 50 -26.573 0.069 18.788 373 HA GLU 50 HA GLU 50 -28.661 1.615 20.105 374 HB2 GLU 50 HB2 GLU 50 -25.757 2.440 20.147 375 HB3 GLU 50 HB1 GLU 50 -27.084 3.565 20.442 376 HG2 GLU 50 HG2 GLU 50 -27.863 2.135 22.317 377 HG3 GLU 50 HG1 GLU 50 -26.527 1.033 22.028 378 H THR 51 HN THR 51 -25.882 2.447 17.985 379 HA THR 51 HA THR 51 -27.541 2.733 15.659 380 HB THR 51 HB THR 51 -28.178 4.796 16.814 381 HG1 THR 51 HG1 THR 51 -28.108 5.080 14.671 382 HG21 THR 51 HG21 THR 51 -26.133 5.049 18.200 383 HG22 THR 51 HG22 THR 51 -26.513 6.529 17.318 384 HG23 THR 51 HG23 THR 51 -25.220 5.472 16.752 385 H GLY 52 HN GLY 52 -26.333 3.459 13.766 386 HA2 GLY 52 HA2 GLY 52 -23.422 3.492 14.002 387 HA3 GLY 52 HA1 GLY 52 -24.133 2.191 13.049 388 HA PRO 53 HA PRO 53 -24.043 6.452 10.681 389 HB2 PRO 53 HB2 PRO 53 -21.609 6.510 9.488 390 HB3 PRO 53 HB1 PRO 53 -21.904 7.200 11.101 391 HG2 PRO 53 HG2 PRO 53 -20.714 4.560 10.373 392 HG3 PRO 53 HG1 PRO 53 -20.180 5.741 11.583 393 HD2 PRO 53 HD2 PRO 53 -21.601 3.540 12.275 394 HD3 PRO 53 HD1 PRO 53 -21.769 5.085 13.143 395 H LYS 54 HN LYS 54 -24.595 6.532 8.488 396 HA LYS 54 HA LYS 54 -23.947 4.221 6.793 397 HB2 LYS 54 HB2 LYS 54 -26.249 4.107 5.971 398 HB3 LYS 54 HB1 LYS 54 -26.133 3.692 7.676 399 HG2 LYS 54 HG2 LYS 54 -26.858 5.991 8.275 400 HG3 LYS 54 HG1 LYS 54 -27.021 6.394 6.572 401 HD2 LYS 54 HD2 LYS 54 -28.534 4.127 7.908 402 HD3 LYS 54 HD1 LYS 54 -29.196 5.746 7.681 403 HE2 LYS 54 HE2 LYS 54 -28.195 3.961 5.436 404 HE3 LYS 54 HE1 LYS 54 -29.895 4.166 5.864 405 HZ1 LYS 54 HZ1 LYS 54 -28.633 6.695 5.524 406 HZ2 LYS 54 HZ2 LYS 54 -29.966 6.042 4.702 407 HZ3 LYS 54 HZ3 LYS 54 -28.392 5.731 4.150 408 HA PRO 55 HA PRO 55 -23.466 8.465 4.639 409 HB2 PRO 55 HB2 PRO 55 -20.875 8.097 3.847 410 HB3 PRO 55 HB1 PRO 55 -21.326 8.840 5.397 411 HG2 PRO 55 HG2 PRO 55 -20.544 6.019 4.818 412 HG3 PRO 55 HG1 PRO 55 -19.977 7.097 6.103 413 HD2 PRO 55 HD2 PRO 55 -21.835 5.249 6.633 414 HD3 PRO 55 HD1 PRO 55 -21.953 6.876 7.350 415 H THR 56 HN THR 56 -22.785 5.111 3.921 416 HA THR 56 HA THR 56 -22.214 5.143 1.220 417 HB THR 56 HB THR 56 -24.000 3.064 2.479 418 HG1 THR 56 HG1 THR 56 -22.311 2.295 3.536 419 HG21 THR 56 HG21 THR 56 -23.535 2.866 0.071 420 HG22 THR 56 HG22 THR 56 -22.762 1.567 0.977 421 HG23 THR 56 HG23 THR 56 -21.803 2.931 0.400 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 -31.953 -8.117 -22.698 2 H2 GLU 1 HT2 GLU 1 -33.523 -8.764 -22.724 3 H3 GLU 1 HT3 GLU 1 -32.318 -9.486 -21.769 4 HA GLU 1 HA GLU 1 -33.120 -6.685 -21.341 5 HB2 GLU 1 HB2 GLU 1 -35.023 -8.592 -21.257 6 HB3 GLU 1 HB1 GLU 1 -34.318 -8.876 -19.668 7 HG2 GLU 1 HG2 GLU 1 -35.050 -6.069 -20.509 8 HG3 GLU 1 HG1 GLU 1 -36.289 -7.160 -19.898 9 H ALA 2 HN ALA 2 -30.555 -7.635 -21.278 10 HA ALA 2 HA ALA 2 -29.900 -7.435 -18.435 11 HB1 ALA 2 HB1 ALA 2 -29.067 -9.737 -20.198 12 HB2 ALA 2 HB2 ALA 2 -29.869 -9.801 -18.628 13 HB3 ALA 2 HB3 ALA 2 -28.182 -9.294 -18.738 14 H SER 3 HN SER 3 -27.757 -6.697 -18.038 15 HA SER 3 HA SER 3 -26.782 -4.866 -19.997 16 HB2 SER 3 HB2 SER 3 -25.103 -4.287 -18.365 17 HB3 SER 3 HB1 SER 3 -26.634 -4.523 -17.527 18 HG SER 3 HG SER 3 -24.539 -5.611 -16.772 19 H VAL 4 HN VAL 4 -24.625 -4.805 -20.889 20 HA VAL 4 HA VAL 4 -23.865 -7.222 -22.166 21 HB VAL 4 HB VAL 4 -22.450 -4.540 -21.928 22 HG11 VAL 4 HG11 VAL 4 -21.822 -6.910 -23.721 23 HG12 VAL 4 HG12 VAL 4 -20.778 -6.230 -22.476 24 HG13 VAL 4 HG13 VAL 4 -21.139 -5.297 -23.928 25 HG21 VAL 4 HG21 VAL 4 -23.308 -4.201 -24.215 26 HG22 VAL 4 HG22 VAL 4 -24.632 -4.499 -23.089 27 HG23 VAL 4 HG23 VAL 4 -24.083 -5.784 -24.164 28 H ARG 5 HN ARG 5 -22.479 -5.345 -19.488 29 HA ARG 5 HA ARG 5 -20.292 -7.147 -19.062 30 HB2 ARG 5 HB2 ARG 5 -21.383 -4.858 -17.425 31 HB3 ARG 5 HB1 ARG 5 -19.951 -5.785 -16.975 32 HG2 ARG 5 HG2 ARG 5 -18.886 -5.198 -19.118 33 HG3 ARG 5 HG1 ARG 5 -20.316 -4.269 -19.576 34 HD2 ARG 5 HD2 ARG 5 -19.993 -2.788 -17.643 35 HD3 ARG 5 HD1 ARG 5 -18.582 -3.719 -17.154 36 HE ARG 5 HE ARG 5 -17.351 -2.689 -18.850 37 HH11 ARG 5 HH11 ARG 5 -20.761 -1.965 -19.285 38 HH12 ARG 5 HH12 ARG 5 -20.477 -0.775 -20.510 39 HH21 ARG 5 HH21 ARG 5 -17.026 -1.130 -20.458 40 HH22 ARG 5 HH22 ARG 5 -18.374 -0.307 -21.168 41 H TYR 6 HN TYR 6 -19.963 -8.592 -17.380 42 HA TYR 6 HA TYR 6 -22.408 -9.519 -15.997 43 HB2 TYR 6 HB2 TYR 6 -19.914 -11.053 -16.771 44 HB3 TYR 6 HB1 TYR 6 -21.245 -11.714 -15.821 45 HD1 TYR 6 HD1 TYR 6 -20.164 -10.600 -19.153 46 HD2 TYR 6 HD2 TYR 6 -23.455 -12.097 -16.831 47 HE1 TYR 6 HE1 TYR 6 -21.399 -11.117 -21.236 48 HE2 TYR 6 HE2 TYR 6 -24.691 -12.615 -18.918 49 HH TYR 6 HH TYR 6 -24.198 -13.061 -21.281 50 H ILE 7 HN ILE 7 -19.080 -8.501 -15.619 51 HA ILE 7 HA ILE 7 -19.384 -8.643 -12.683 52 HB ILE 7 HB ILE 7 -16.743 -8.895 -14.176 53 HG12 ILE 7 HG12 ILE 7 -17.030 -11.364 -13.051 54 HG13 ILE 7 HG11 ILE 7 -18.741 -10.993 -13.280 55 HG21 ILE 7 HG21 ILE 7 -17.340 -9.603 -11.298 56 HG22 ILE 7 HG22 ILE 7 -16.860 -7.975 -11.770 57 HG23 ILE 7 HG23 ILE 7 -15.771 -9.331 -12.057 58 HD11 ILE 7 HD11 ILE 7 -17.958 -10.347 -15.729 59 HD12 ILE 7 HD12 ILE 7 -18.201 -12.035 -15.295 60 HD13 ILE 7 HD13 ILE 7 -16.574 -11.363 -15.329 61 H THR 8 HN THR 8 -19.306 -6.716 -11.692 62 HA THR 8 HA THR 8 -18.226 -4.403 -13.196 63 HB THR 8 HB THR 8 -20.254 -4.241 -10.961 64 HG1 THR 8 HG1 THR 8 -21.334 -5.415 -12.410 65 HG21 THR 8 HG21 THR 8 -19.316 -2.421 -13.180 66 HG22 THR 8 HG22 THR 8 -19.320 -2.112 -11.444 67 HG23 THR 8 HG23 THR 8 -20.838 -2.154 -12.335 68 H TYR 9 HN TYR 9 -16.553 -6.097 -11.603 69 HA TYR 9 HA TYR 9 -14.881 -5.995 -10.041 70 HB2 TYR 9 HB2 TYR 9 -15.450 -3.070 -10.508 71 HB3 TYR 9 HB1 TYR 9 -14.232 -3.581 -9.340 72 HD1 TYR 9 HD1 TYR 9 -15.190 -3.615 -12.921 73 HD2 TYR 9 HD2 TYR 9 -12.143 -4.569 -10.047 74 HE1 TYR 9 HE1 TYR 9 -13.562 -3.962 -14.760 75 HE2 TYR 9 HE2 TYR 9 -10.517 -4.916 -11.886 76 HH TYR 9 HH TYR 9 -10.480 -5.408 -14.238 77 HA PRO 10 HA PRO 10 -16.791 -6.018 -6.016 78 HB2 PRO 10 HB2 PRO 10 -14.692 -5.866 -4.329 79 HB3 PRO 10 HB1 PRO 10 -14.990 -7.301 -5.339 80 HG2 PRO 10 HG2 PRO 10 -13.088 -5.045 -5.785 81 HG3 PRO 10 HG1 PRO 10 -12.827 -6.789 -5.972 82 HD2 PRO 10 HD2 PRO 10 -13.339 -5.167 -8.094 83 HD3 PRO 10 HD1 PRO 10 -13.865 -6.864 -8.053 84 H ALA 11 HN ALA 11 -17.445 -4.675 -4.279 85 HA ALA 11 HA ALA 11 -16.233 -2.051 -3.929 86 HB1 ALA 11 HB1 ALA 11 -18.934 -2.467 -5.151 87 HB2 ALA 11 HB2 ALA 11 -17.693 -1.281 -5.554 88 HB3 ALA 11 HB3 ALA 11 -18.667 -1.078 -4.097 89 H ILE 12 HN ILE 12 -16.707 -1.104 -1.950 90 HA ILE 12 HA ILE 12 -17.956 -2.903 0.014 91 HB ILE 12 HB ILE 12 -16.276 -0.429 0.518 92 HG12 ILE 12 HG12 ILE 12 -14.904 -2.149 -0.645 93 HG13 ILE 12 HG11 ILE 12 -14.397 -1.999 1.035 94 HG21 ILE 12 HG21 ILE 12 -16.059 -1.311 2.806 95 HG22 ILE 12 HG22 ILE 12 -17.093 -2.675 2.386 96 HG23 ILE 12 HG23 ILE 12 -17.753 -1.039 2.389 97 HD11 ILE 12 HD11 ILE 12 -14.530 -4.386 0.342 98 HD12 ILE 12 HD12 ILE 12 -16.232 -4.174 -0.064 99 HD13 ILE 12 HD13 ILE 12 -15.703 -4.034 1.612 100 H ASP 13 HN ASP 13 -17.896 0.550 -0.825 101 HA ASP 13 HA ASP 13 -20.752 0.737 -0.220 102 HB2 ASP 13 HB2 ASP 13 -20.295 2.950 1.003 103 HB3 ASP 13 HB1 ASP 13 -19.967 1.462 1.885 104 H ARG 14 HN ARG 14 -18.001 2.838 -1.058 105 HA ARG 14 HA ARG 14 -17.760 4.502 -2.582 106 HB2 ARG 14 HB2 ARG 14 -19.119 2.351 -4.213 107 HB3 ARG 14 HB1 ARG 14 -18.453 3.819 -4.929 108 HG2 ARG 14 HG2 ARG 14 -16.243 3.292 -3.966 109 HG3 ARG 14 HG1 ARG 14 -16.903 1.818 -3.255 110 HD2 ARG 14 HD2 ARG 14 -17.465 0.976 -5.499 111 HD3 ARG 14 HD1 ARG 14 -16.823 2.452 -6.217 112 HE ARG 14 HE ARG 14 -14.817 1.282 -4.600 113 HH11 ARG 14 HH11 ARG 14 -16.515 0.649 -7.608 114 HH12 ARG 14 HH12 ARG 14 -15.201 -0.238 -8.305 115 HH21 ARG 14 HH21 ARG 14 -13.122 0.129 -5.547 116 HH22 ARG 14 HH22 ARG 14 -13.289 -0.529 -7.142 117 H GLY 15 HN GLY 15 -20.886 3.533 -4.011 118 HA2 GLY 15 HA2 GLY 15 -22.969 4.614 -3.859 119 HA3 GLY 15 HA1 GLY 15 -22.209 5.916 -2.946 120 H ASP 16 HN ASP 16 -23.686 7.036 -4.639 121 HA ASP 16 HA ASP 16 -22.520 7.258 -7.295 122 HB2 ASP 16 HB2 ASP 16 -24.968 7.275 -7.013 123 HB3 ASP 16 HB1 ASP 16 -24.844 8.749 -6.054 124 H HIS 17 HN HIS 17 -20.604 8.263 -7.242 125 HA HIS 17 HA HIS 17 -20.558 11.106 -6.749 126 HB2 HIS 17 HB2 HIS 17 -18.647 11.054 -5.172 127 HB3 HIS 17 HB1 HIS 17 -20.088 10.314 -4.479 128 HD2 HIS 17 HD2 HIS 17 -19.801 7.611 -3.807 129 HE1 HIS 17 HE1 HIS 17 -15.910 7.078 -5.356 130 HE2 HIS 17 HE2 HIS 17 -17.761 5.995 -3.996 131 H ALA 18 HN ALA 18 -18.414 12.062 -7.359 132 HA ALA 18 HA ALA 18 -16.730 10.405 -9.063 133 HB1 ALA 18 HB1 ALA 18 -18.379 12.685 -10.161 134 HB2 ALA 18 HB2 ALA 18 -18.466 10.986 -10.628 135 HB3 ALA 18 HB3 ALA 18 -17.030 11.934 -11.014 136 H VAL 19 HN VAL 19 -14.794 11.412 -9.714 137 HA VAL 19 HA VAL 19 -14.150 13.998 -8.483 138 HB VAL 19 HB VAL 19 -13.380 12.241 -6.915 139 HG11 VAL 19 HG11 VAL 19 -11.662 10.641 -7.555 140 HG12 VAL 19 HG12 VAL 19 -11.627 11.286 -9.195 141 HG13 VAL 19 HG13 VAL 19 -13.062 10.446 -8.610 142 HG21 VAL 19 HG21 VAL 19 -12.070 14.345 -7.168 143 HG22 VAL 19 HG22 VAL 19 -11.078 13.564 -8.400 144 HG23 VAL 19 HG23 VAL 19 -11.039 12.981 -6.736 145 H HIS 20 HN HIS 20 -12.449 15.147 -9.546 146 HA HIS 20 HA HIS 20 -11.822 14.104 -12.250 147 HB2 HIS 20 HB2 HIS 20 -11.903 16.427 -13.070 148 HB3 HIS 20 HB1 HIS 20 -13.445 15.929 -12.382 149 HD2 HIS 20 HD2 HIS 20 -10.793 18.684 -11.869 150 HE1 HIS 20 HE1 HIS 20 -13.407 18.905 -8.562 151 HE2 HIS 20 HE2 HIS 20 -11.516 20.079 -9.784 152 H CYS 21 HN CYS 21 -9.879 14.690 -13.218 153 HA CYS 21 HA CYS 21 -7.646 14.889 -11.380 154 HB2 CYS 21 HB2 CYS 21 -7.907 14.401 -14.332 155 HB3 CYS 21 HB1 CYS 21 -6.344 14.711 -13.581 156 H ASP 22 HN ASP 22 -5.801 16.379 -11.841 157 HA ASP 22 HA ASP 22 -6.707 19.075 -11.924 158 HB2 ASP 22 HB2 ASP 22 -3.979 17.784 -11.940 159 HB3 ASP 22 HB1 ASP 22 -4.208 19.526 -11.947 160 H LYS 23 HN LYS 23 -6.718 20.500 -13.508 161 HA LYS 23 HA LYS 23 -6.585 19.627 -16.232 162 HB2 LYS 23 HB2 LYS 23 -6.927 22.336 -14.945 163 HB3 LYS 23 HB1 LYS 23 -7.014 22.072 -16.686 164 HG2 LYS 23 HG2 LYS 23 -9.004 20.858 -16.567 165 HG3 LYS 23 HG1 LYS 23 -8.728 20.329 -14.909 166 HD2 LYS 23 HD2 LYS 23 -9.176 22.555 -14.074 167 HD3 LYS 23 HD1 LYS 23 -9.387 23.178 -15.717 168 HE2 LYS 23 HE2 LYS 23 -11.057 20.933 -14.545 169 HE3 LYS 23 HE1 LYS 23 -11.552 22.626 -14.514 170 HZ1 LYS 23 HZ1 LYS 23 -10.899 21.083 -16.968 171 HZ2 LYS 23 HZ2 LYS 23 -11.444 22.692 -16.908 172 HZ3 LYS 23 HZ3 LYS 23 -12.467 21.425 -16.421 173 H ALA 24 HN ALA 24 -4.352 21.079 -14.029 174 HA ALA 24 HA ALA 24 -2.439 21.743 -16.169 175 HB1 ALA 24 HB1 ALA 24 -1.344 23.145 -14.672 176 HB2 ALA 24 HB2 ALA 24 -1.924 22.259 -13.261 177 HB3 ALA 24 HB3 ALA 24 -3.020 23.314 -14.155 178 H HIS 25 HN HIS 25 -3.064 19.543 -13.551 179 HA HIS 25 HA HIS 25 -0.634 18.030 -14.244 180 HB2 HIS 25 HB2 HIS 25 -1.807 18.545 -11.504 181 HB3 HIS 25 HB1 HIS 25 -0.600 17.305 -11.816 182 HD2 HIS 25 HD2 HIS 25 2.018 18.291 -11.932 183 HE1 HIS 25 HE1 HIS 25 1.065 22.401 -11.952 184 HE2 HIS 25 HE2 HIS 25 2.965 20.721 -11.846 185 HA PRO 26 HA PRO 26 -4.680 15.517 -14.441 186 HB2 PRO 26 HB2 PRO 26 -4.764 14.992 -17.097 187 HB3 PRO 26 HB1 PRO 26 -5.480 16.452 -16.382 188 HG2 PRO 26 HG2 PRO 26 -2.852 16.126 -17.738 189 HG3 PRO 26 HG1 PRO 26 -4.078 17.391 -17.952 190 HD2 PRO 26 HD2 PRO 26 -1.898 17.800 -16.413 191 HD3 PRO 26 HD1 PRO 26 -3.477 18.509 -16.006 192 H ASN 27 HN ASN 27 -1.568 15.244 -15.984 193 HA ASN 27 HA ASN 27 -1.541 12.401 -16.321 194 HB2 ASN 27 HB2 ASN 27 0.644 14.482 -16.319 195 HB3 ASN 27 HB1 ASN 27 0.964 12.769 -16.563 196 HD21 ASN 27 HD21 ASN 27 1.444 14.798 -18.589 197 HD22 ASN 27 HD22 ASN 27 0.407 14.477 -19.893 198 H THR 28 HN THR 28 -0.740 14.564 -13.689 199 HA THR 28 HA THR 28 0.223 12.268 -12.076 200 HB THR 28 HB THR 28 1.453 13.943 -10.710 201 HG1 THR 28 HG1 THR 28 1.518 16.030 -11.375 202 HG21 THR 28 HG21 THR 28 2.114 14.089 -13.661 203 HG22 THR 28 HG22 THR 28 2.514 12.725 -12.616 204 HG23 THR 28 HG23 THR 28 3.234 14.307 -12.317 205 H CYS 29 HN CYS 29 -2.573 13.419 -12.517 206 HA CYS 29 HA CYS 29 -3.423 14.669 -10.119 207 HB2 CYS 29 HB2 CYS 29 -5.652 14.346 -10.943 208 HB3 CYS 29 HB1 CYS 29 -4.632 14.692 -12.327 209 H LYS 30 HN LYS 30 -4.938 13.737 -8.550 210 HA LYS 30 HA LYS 30 -5.345 12.289 -6.834 211 HB2 LYS 30 HB2 LYS 30 -5.208 10.201 -9.027 212 HB3 LYS 30 HB1 LYS 30 -5.980 10.000 -7.459 213 HG2 LYS 30 HG2 LYS 30 -6.792 12.210 -9.354 214 HG3 LYS 30 HG1 LYS 30 -7.501 10.605 -9.451 215 HD2 LYS 30 HD2 LYS 30 -7.439 12.150 -6.854 216 HD3 LYS 30 HD1 LYS 30 -8.749 12.350 -8.016 217 HE2 LYS 30 HE2 LYS 30 -7.918 9.706 -6.769 218 HE3 LYS 30 HE1 LYS 30 -9.316 10.664 -6.291 219 HZ1 LYS 30 HZ1 LYS 30 -10.252 9.221 -7.774 220 HZ2 LYS 30 HZ2 LYS 30 -8.867 9.134 -8.755 221 HZ3 LYS 30 HZ3 LYS 30 -9.870 10.505 -8.814 222 H LYS 31 HN LYS 31 -3.464 12.686 -5.753 223 HA LYS 31 HA LYS 31 -1.439 10.532 -5.916 224 HB2 LYS 31 HB2 LYS 31 -0.969 13.416 -5.112 225 HB3 LYS 31 HB1 LYS 31 0.256 12.163 -5.260 226 HG2 LYS 31 HG2 LYS 31 -1.504 13.002 -7.581 227 HG3 LYS 31 HG1 LYS 31 0.052 13.760 -7.265 228 HD2 LYS 31 HD2 LYS 31 -0.269 10.760 -7.619 229 HD3 LYS 31 HD1 LYS 31 0.085 11.844 -8.959 230 HE2 LYS 31 HE2 LYS 31 2.115 12.637 -7.742 231 HE3 LYS 31 HE1 LYS 31 1.788 11.451 -6.480 232 HZ1 LYS 31 HZ1 LYS 31 1.930 10.573 -9.278 233 HZ2 LYS 31 HZ2 LYS 31 2.270 9.707 -7.855 234 HZ3 LYS 31 HZ3 LYS 31 3.369 10.867 -8.432 235 H LYS 32 HN LYS 32 -3.047 12.822 -3.806 236 HA LYS 32 HA LYS 32 -3.736 12.712 -1.613 237 HB2 LYS 32 HB2 LYS 32 -2.959 9.810 -1.560 238 HB3 LYS 32 HB1 LYS 32 -4.177 10.636 -0.615 239 HG2 LYS 32 HG2 LYS 32 -4.302 10.149 -3.622 240 HG3 LYS 32 HG1 LYS 32 -5.199 9.218 -2.433 241 HD2 LYS 32 HD2 LYS 32 -6.727 10.926 -2.012 242 HD3 LYS 32 HD1 LYS 32 -5.590 12.208 -2.407 243 HE2 LYS 32 HE2 LYS 32 -5.714 11.430 -4.821 244 HE3 LYS 32 HE1 LYS 32 -7.064 10.402 -4.337 245 HZ1 LYS 32 HZ1 LYS 32 -7.292 12.983 -5.110 246 HZ2 LYS 32 HZ2 LYS 32 -7.303 13.134 -3.421 247 HZ3 LYS 32 HZ3 LYS 32 -8.444 12.144 -4.196 248 H GLN 33 HN GLN 33 -1.024 13.387 -2.240 249 HA GLN 33 HA GLN 33 0.122 12.742 0.350 250 HB2 GLN 33 HB2 GLN 33 2.327 12.211 -0.674 251 HB3 GLN 33 HB1 GLN 33 1.032 11.093 -1.122 252 HG2 GLN 33 HG2 GLN 33 0.702 12.327 -3.224 253 HG3 GLN 33 HG1 GLN 33 2.090 13.353 -2.836 254 HE21 GLN 33 HE21 GLN 33 1.275 10.636 -4.595 255 HE22 GLN 33 HE22 GLN 33 2.789 9.867 -4.619 256 H ALA 34 HN ALA 34 0.440 14.619 -2.632 257 HA ALA 34 HA ALA 34 1.079 16.783 -3.064 258 HB1 ALA 34 HB1 ALA 34 -0.702 17.101 -1.204 259 HB2 ALA 34 HB2 ALA 34 0.371 18.449 -1.581 260 HB3 ALA 34 HB3 ALA 34 0.678 17.448 -0.162 261 H ASN 35 HN ASN 35 3.136 17.182 -3.535 262 HA ASN 35 HA ASN 35 5.297 16.403 -1.845 263 HB2 ASN 35 HB2 ASN 35 6.731 17.496 -3.515 264 HB3 ASN 35 HB1 ASN 35 5.567 16.405 -4.250 265 HD21 ASN 35 HD21 ASN 35 5.417 17.528 -6.291 266 HD22 ASN 35 HD22 ASN 35 4.774 19.093 -6.427 267 HA PRO 36 HA PRO 36 5.798 20.037 0.599 268 HB2 PRO 36 HB2 PRO 36 8.341 19.878 1.389 269 HB3 PRO 36 HB1 PRO 36 7.153 18.634 1.840 270 HG2 PRO 36 HG2 PRO 36 9.270 18.548 -0.240 271 HG3 PRO 36 HG1 PRO 36 8.707 17.272 0.853 272 HD2 PRO 36 HD2 PRO 36 7.937 17.557 -1.806 273 HD3 PRO 36 HD1 PRO 36 7.056 16.605 -0.594 274 H TYR 37 HN TYR 37 7.913 19.713 -2.174 275 HA TYR 37 HA TYR 37 9.315 22.138 -2.046 276 HB2 TYR 37 HB2 TYR 37 9.924 20.297 -3.564 277 HB3 TYR 37 HB1 TYR 37 8.443 20.554 -4.480 278 HD1 TYR 37 HD1 TYR 37 11.653 22.167 -3.454 279 HD2 TYR 37 HD2 TYR 37 8.337 22.227 -6.185 280 HE1 TYR 37 HE1 TYR 37 12.813 23.878 -4.826 281 HE2 TYR 37 HE2 TYR 37 9.498 23.937 -7.556 282 HH TYR 37 HH TYR 37 12.190 24.543 -7.843 283 H ARG 38 HN ARG 38 6.279 21.367 -3.755 284 HA ARG 38 HA ARG 38 4.590 22.646 -4.556 285 HB2 ARG 38 HB2 ARG 38 4.610 23.261 -2.067 286 HB3 ARG 38 HB1 ARG 38 5.386 24.765 -2.562 287 HG2 ARG 38 HG2 ARG 38 3.495 25.222 -4.085 288 HG3 ARG 38 HG1 ARG 38 2.711 23.736 -3.557 289 HD2 ARG 38 HD2 ARG 38 2.760 24.620 -1.208 290 HD3 ARG 38 HD1 ARG 38 3.374 26.143 -1.842 291 HE ARG 38 HE ARG 38 0.650 25.144 -2.045 292 HH11 ARG 38 HH11 ARG 38 3.002 27.396 -3.369 293 HH12 ARG 38 HH12 ARG 38 1.797 28.445 -4.037 294 HH21 ARG 38 HH21 ARG 38 -0.885 26.548 -2.922 295 HH22 ARG 38 HH22 ARG 38 -0.391 27.968 -3.782 296 H ARG 39 HN ARG 39 4.053 24.468 -5.890 297 HA ARG 39 HA ARG 39 6.024 26.469 -6.503 298 HB2 ARG 39 HB2 ARG 39 6.920 24.430 -7.669 299 HB3 ARG 39 HB1 ARG 39 5.469 24.442 -8.671 300 HG2 ARG 39 HG2 ARG 39 5.998 26.714 -9.448 301 HG3 ARG 39 HG1 ARG 39 7.435 26.743 -8.426 302 HD2 ARG 39 HD2 ARG 39 8.331 24.789 -9.664 303 HD3 ARG 39 HD1 ARG 39 6.918 24.826 -10.714 304 HE ARG 39 HE ARG 39 8.117 27.382 -10.749 305 HH11 ARG 39 HH11 ARG 39 8.830 24.117 -11.831 306 HH12 ARG 39 HH12 ARG 39 9.828 24.642 -13.146 307 HH21 ARG 39 HH21 ARG 39 9.422 28.022 -12.478 308 HH22 ARG 39 HH22 ARG 39 10.159 26.841 -13.507 309 H GLY 40 HN GLY 40 5.055 28.236 -7.252 310 HA2 GLY 40 HA2 GLY 40 2.210 28.147 -7.936 311 HA3 GLY 40 HA1 GLY 40 3.172 29.594 -7.635 312 H CYS 41 HN CYS 41 1.629 29.856 -9.709 313 HA CYS 41 HA CYS 41 2.983 28.990 -12.156 314 HB2 CYS 41 HB2 CYS 41 0.538 28.855 -12.054 315 HB3 CYS 41 HB1 CYS 41 0.450 30.586 -11.746 316 H GLY 42 HN GLY 42 4.629 30.139 -12.860 317 HA2 GLY 42 HA2 GLY 42 4.454 33.081 -12.914 318 HA3 GLY 42 HA1 GLY 42 5.880 32.326 -12.211 319 H VAL 43 HN VAL 43 4.050 31.183 -14.976 320 HA VAL 43 HA VAL 43 6.318 30.670 -16.577 321 HB VAL 43 HB VAL 43 3.415 31.023 -17.420 322 HG11 VAL 43 HG11 VAL 43 3.955 29.827 -19.419 323 HG12 VAL 43 HG12 VAL 43 5.580 29.464 -18.840 324 HG13 VAL 43 HG13 VAL 43 5.145 31.114 -19.264 325 HG21 VAL 43 HG21 VAL 43 3.626 29.258 -15.759 326 HG22 VAL 43 HG22 VAL 43 4.995 28.561 -16.636 327 HG23 VAL 43 HG23 VAL 43 3.382 28.544 -17.355 328 H LEU 44 HN LEU 44 4.028 33.367 -16.478 329 HA LEU 44 HA LEU 44 4.165 35.554 -17.135 330 HB2 LEU 44 HB2 LEU 44 6.937 34.912 -18.197 331 HB3 LEU 44 HB1 LEU 44 6.226 36.513 -18.090 332 HG LEU 44 HG LEU 44 6.624 34.700 -15.683 333 HD11 LEU 44 HD11 LEU 44 8.305 37.033 -16.655 334 HD12 LEU 44 HD12 LEU 44 8.789 35.338 -16.696 335 HD13 LEU 44 HD13 LEU 44 8.546 36.147 -15.148 336 HD21 LEU 44 HD21 LEU 44 4.906 36.353 -15.267 337 HD22 LEU 44 HD22 LEU 44 5.855 37.622 -16.043 338 HD23 LEU 44 HD23 LEU 44 6.375 36.955 -14.495 339 H GLU 45 HN GLU 45 4.372 32.883 -19.214 340 HA GLU 45 HA GLU 45 4.194 34.097 -21.766 341 HB2 GLU 45 HB2 GLU 45 3.385 31.432 -20.659 342 HB3 GLU 45 HB1 GLU 45 3.099 31.863 -22.343 343 HG2 GLU 45 HG2 GLU 45 5.820 31.967 -20.984 344 HG3 GLU 45 HG1 GLU 45 5.260 30.660 -22.018 345 H GLY 46 HN GLY 46 1.843 33.237 -19.323 346 HA2 GLY 46 HA2 GLY 46 -0.097 35.026 -19.622 347 HA3 GLY 46 HA1 GLY 46 -0.434 33.961 -20.989 348 H CYS 47 HN CYS 47 -0.008 34.040 -17.492 349 HA CYS 47 HA CYS 47 -1.215 31.411 -17.171 350 HB2 CYS 47 HB2 CYS 47 0.794 32.243 -15.878 351 HB3 CYS 47 HB1 CYS 47 -0.308 33.313 -15.006 352 H HIS 48 HN HIS 48 -3.312 31.917 -17.964 353 HA HIS 48 HA HIS 48 -5.013 33.349 -16.017 354 HB2 HIS 48 HB2 HIS 48 -4.667 34.600 -18.201 355 HB3 HIS 48 HB1 HIS 48 -5.519 33.277 -18.997 356 HD2 HIS 48 HD2 HIS 48 -6.330 36.431 -16.894 357 HE1 HIS 48 HE1 HIS 48 -9.953 34.321 -17.406 358 HE2 HIS 48 HE2 HIS 48 -8.926 36.503 -16.608 359 H ARG 49 HN ARG 49 -4.803 30.854 -18.515 360 HA ARG 49 HA ARG 49 -5.867 28.872 -18.825 361 HB2 ARG 49 HB2 ARG 49 -5.232 28.701 -16.305 362 HB3 ARG 49 HB1 ARG 49 -6.947 28.987 -16.012 363 HG2 ARG 49 HG2 ARG 49 -7.576 27.022 -17.234 364 HG3 ARG 49 HG1 ARG 49 -5.946 26.819 -17.879 365 HD2 ARG 49 HD2 ARG 49 -6.676 26.637 -14.943 366 HD3 ARG 49 HD1 ARG 49 -6.423 25.253 -16.004 367 HE ARG 49 HE ARG 49 -4.145 26.898 -16.176 368 HH11 ARG 49 HH11 ARG 49 -5.733 24.868 -13.796 369 HH12 ARG 49 HH12 ARG 49 -4.271 24.529 -12.931 370 HH21 ARG 49 HH21 ARG 49 -2.263 26.437 -15.021 371 HH22 ARG 49 HH22 ARG 49 -2.316 25.412 -13.626 372 H GLU 50 HN GLU 50 -7.786 28.166 -19.628 373 HA GLU 50 HA GLU 50 -9.816 30.086 -20.083 374 HB2 GLU 50 HB2 GLU 50 -10.996 28.236 -21.231 375 HB3 GLU 50 HB1 GLU 50 -9.322 28.404 -21.773 376 HG2 GLU 50 HG2 GLU 50 -8.690 26.551 -20.216 377 HG3 GLU 50 HG1 GLU 50 -10.386 26.380 -19.766 378 H THR 51 HN THR 51 -9.530 27.349 -17.902 379 HA THR 51 HA THR 51 -12.244 27.834 -16.929 380 HB THR 51 HB THR 51 -10.408 25.477 -16.471 381 HG1 THR 51 HG1 THR 51 -12.707 25.781 -18.093 382 HG21 THR 51 HG21 THR 51 -12.568 24.388 -15.694 383 HG22 THR 51 HG22 THR 51 -13.291 25.996 -15.688 384 HG23 THR 51 HG23 THR 51 -11.943 25.632 -14.611 385 H GLY 52 HN GLY 52 -9.184 26.822 -15.390 386 HA2 GLY 52 HA2 GLY 52 -8.043 27.861 -13.638 387 HA3 GLY 52 HA1 GLY 52 -9.374 28.992 -13.457 388 HA PRO 53 HA PRO 53 -10.522 24.860 -11.105 389 HB2 PRO 53 HB2 PRO 53 -8.457 23.597 -9.892 390 HB3 PRO 53 HB1 PRO 53 -8.969 23.226 -11.555 391 HG2 PRO 53 HG2 PRO 53 -6.720 24.953 -10.626 392 HG3 PRO 53 HG1 PRO 53 -6.743 23.723 -11.906 393 HD2 PRO 53 HD2 PRO 53 -6.950 26.367 -12.470 394 HD3 PRO 53 HD1 PRO 53 -7.780 25.127 -13.442 395 H LYS 54 HN LYS 54 -11.050 24.830 -8.882 396 HA LYS 54 HA LYS 54 -9.512 26.523 -7.034 397 HB2 LYS 54 HB2 LYS 54 -11.555 27.706 -8.301 398 HB3 LYS 54 HB1 LYS 54 -12.501 26.866 -7.082 399 HG2 LYS 54 HG2 LYS 54 -10.130 28.653 -6.419 400 HG3 LYS 54 HG1 LYS 54 -11.789 29.237 -6.459 401 HD2 LYS 54 HD2 LYS 54 -10.851 26.956 -4.675 402 HD3 LYS 54 HD1 LYS 54 -10.955 28.627 -4.160 403 HE2 LYS 54 HE2 LYS 54 -13.298 26.995 -5.194 404 HE3 LYS 54 HE1 LYS 54 -12.979 27.370 -3.507 405 HZ1 LYS 54 HZ1 LYS 54 -12.990 29.775 -4.228 406 HZ2 LYS 54 HZ2 LYS 54 -14.492 28.982 -4.217 407 HZ3 LYS 54 HZ3 LYS 54 -13.678 29.245 -5.685 408 HA PRO 55 HA PRO 55 -11.268 22.484 -5.194 409 HB2 PRO 55 HB2 PRO 55 -8.915 21.317 -4.527 410 HB3 PRO 55 HB1 PRO 55 -9.647 21.128 -6.136 411 HG2 PRO 55 HG2 PRO 55 -7.477 22.972 -5.252 412 HG3 PRO 55 HG1 PRO 55 -7.560 21.940 -6.691 413 HD2 PRO 55 HD2 PRO 55 -8.112 24.581 -6.827 414 HD3 PRO 55 HD1 PRO 55 -8.980 23.388 -7.827 415 H THR 56 HN THR 56 -8.872 24.863 -4.293 416 HA THR 56 HA THR 56 -8.417 24.291 -1.622 417 HB THR 56 HB THR 56 -7.157 25.978 -2.892 418 HG1 THR 56 HG1 THR 56 -6.773 26.541 -0.907 419 HG21 THR 56 HG21 THR 56 -8.221 28.297 -3.051 420 HG22 THR 56 HG22 THR 56 -9.766 27.490 -2.780 421 HG23 THR 56 HG23 THR 56 -8.797 27.086 -4.197 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 13.183 32.352 -14.451 2 H2 GLU 1 HT2 GLU 1 12.439 33.102 -13.120 3 H3 GLU 1 HT3 GLU 1 13.782 33.829 -13.870 4 HA GLU 1 HA GLU 1 12.445 34.023 -15.935 5 HB2 GLU 1 HB2 GLU 1 10.826 32.221 -15.202 6 HB3 GLU 1 HB1 GLU 1 10.134 33.392 -14.080 7 HG2 GLU 1 HG2 GLU 1 8.825 33.409 -16.139 8 HG3 GLU 1 HG1 GLU 1 9.700 34.929 -16.004 9 H ALA 2 HN ALA 2 11.901 34.836 -12.537 10 HA ALA 2 HA ALA 2 11.545 36.816 -11.454 11 HB1 ALA 2 HB1 ALA 2 12.824 38.687 -12.190 12 HB2 ALA 2 HB2 ALA 2 12.800 38.135 -13.865 13 HB3 ALA 2 HB3 ALA 2 13.740 37.256 -12.661 14 H SER 3 HN SER 3 9.233 36.402 -11.834 15 HA SER 3 HA SER 3 7.946 38.061 -13.878 16 HB2 SER 3 HB2 SER 3 6.819 36.028 -11.941 17 HB3 SER 3 HB1 SER 3 5.867 36.922 -13.119 18 HG SER 3 HG SER 3 6.486 35.479 -14.515 19 H VAL 4 HN VAL 4 6.735 39.843 -13.465 20 HA VAL 4 HA VAL 4 7.147 41.281 -11.059 21 HB VAL 4 HB VAL 4 6.776 42.361 -13.262 22 HG11 VAL 4 HG11 VAL 4 4.928 40.752 -13.949 23 HG12 VAL 4 HG12 VAL 4 4.617 42.454 -14.291 24 HG13 VAL 4 HG13 VAL 4 3.849 41.679 -12.906 25 HG21 VAL 4 HG21 VAL 4 6.436 43.713 -11.261 26 HG22 VAL 4 HG22 VAL 4 4.803 43.077 -11.061 27 HG23 VAL 4 HG23 VAL 4 5.178 44.127 -12.425 28 H ARG 5 HN ARG 5 4.557 39.177 -12.148 29 HA ARG 5 HA ARG 5 2.570 39.918 -10.304 30 HB2 ARG 5 HB2 ARG 5 2.247 38.452 -12.332 31 HB3 ARG 5 HB1 ARG 5 3.021 37.146 -11.438 32 HG2 ARG 5 HG2 ARG 5 0.694 36.806 -11.102 33 HG3 ARG 5 HG1 ARG 5 1.251 37.565 -9.614 34 HD2 ARG 5 HD2 ARG 5 -0.805 38.653 -10.332 35 HD3 ARG 5 HD1 ARG 5 0.522 39.788 -10.527 36 HE ARG 5 HE ARG 5 0.058 38.277 -12.923 37 HH11 ARG 5 HH11 ARG 5 -1.149 41.021 -11.085 38 HH12 ARG 5 HH12 ARG 5 -1.836 41.798 -12.472 39 HH21 ARG 5 HH21 ARG 5 -0.849 39.327 -14.699 40 HH22 ARG 5 HH22 ARG 5 -1.665 40.841 -14.505 41 H TYR 6 HN TYR 6 2.311 39.537 -8.173 42 HA TYR 6 HA TYR 6 3.722 37.335 -6.876 43 HB2 TYR 6 HB2 TYR 6 5.266 39.326 -6.825 44 HB3 TYR 6 HB1 TYR 6 4.048 40.173 -5.874 45 HD1 TYR 6 HD1 TYR 6 6.299 37.209 -5.929 46 HD2 TYR 6 HD2 TYR 6 3.753 39.712 -3.537 47 HE1 TYR 6 HE1 TYR 6 7.154 36.116 -3.872 48 HE2 TYR 6 HE2 TYR 6 4.608 38.619 -1.482 49 HH TYR 6 HH TYR 6 7.337 36.929 -1.300 50 H ILE 7 HN ILE 7 1.874 36.373 -6.232 51 HA ILE 7 HA ILE 7 0.125 37.882 -4.386 52 HB ILE 7 HB ILE 7 -0.713 35.727 -6.351 53 HG12 ILE 7 HG12 ILE 7 -0.270 37.877 -7.508 54 HG13 ILE 7 HG11 ILE 7 -1.999 37.532 -7.499 55 HG21 ILE 7 HG21 ILE 7 -2.990 36.082 -5.599 56 HG22 ILE 7 HG22 ILE 7 -2.486 37.396 -4.538 57 HG23 ILE 7 HG23 ILE 7 -1.991 35.740 -4.186 58 HD11 ILE 7 HD11 ILE 7 -2.280 39.093 -5.569 59 HD12 ILE 7 HD12 ILE 7 -1.590 39.914 -6.968 60 HD13 ILE 7 HD13 ILE 7 -0.552 39.452 -5.621 61 H THR 8 HN THR 8 0.061 37.038 -2.387 62 HA THR 8 HA THR 8 0.357 34.166 -1.978 63 HB THR 8 HB THR 8 2.679 34.935 -1.966 64 HG1 THR 8 HG1 THR 8 3.166 34.196 0.149 65 HG21 THR 8 HG21 THR 8 3.479 36.550 -0.319 66 HG22 THR 8 HG22 THR 8 1.849 36.744 0.323 67 HG23 THR 8 HG23 THR 8 2.223 37.297 -1.309 68 H TYR 9 HN TYR 9 -0.258 33.421 0.079 69 HA TYR 9 HA TYR 9 -1.536 35.370 1.868 70 HB2 TYR 9 HB2 TYR 9 -3.491 33.854 2.160 71 HB3 TYR 9 HB1 TYR 9 -3.360 34.474 0.517 72 HD1 TYR 9 HD1 TYR 9 -3.189 31.507 2.654 73 HD2 TYR 9 HD2 TYR 9 -2.554 33.012 -1.318 74 HE1 TYR 9 HE1 TYR 9 -3.165 29.189 1.776 75 HE2 TYR 9 HE2 TYR 9 -2.527 30.691 -2.192 76 HH TYR 9 HH TYR 9 -3.730 28.261 -0.982 77 HA PRO 10 HA PRO 10 0.628 33.321 5.109 78 HB2 PRO 10 HB2 PRO 10 -1.148 33.246 7.197 79 HB3 PRO 10 HB1 PRO 10 -0.286 34.709 6.669 80 HG2 PRO 10 HG2 PRO 10 -3.066 33.829 6.041 81 HG3 PRO 10 HG1 PRO 10 -2.468 35.439 6.486 82 HD2 PRO 10 HD2 PRO 10 -3.003 34.829 3.926 83 HD3 PRO 10 HD1 PRO 10 -1.628 35.874 4.350 84 H ALA 11 HN ALA 11 -2.563 31.952 4.405 85 HA ALA 11 HA ALA 11 -3.424 29.826 4.613 86 HB1 ALA 11 HB1 ALA 11 -0.785 28.541 4.189 87 HB2 ALA 11 HB2 ALA 11 -1.237 29.747 2.991 88 HB3 ALA 11 HB3 ALA 11 -2.290 28.364 3.289 89 H ILE 12 HN ILE 12 -3.449 30.550 7.033 90 HA ILE 12 HA ILE 12 -1.625 29.502 8.890 91 HB ILE 12 HB ILE 12 -4.563 30.179 9.230 92 HG12 ILE 12 HG12 ILE 12 -3.203 32.114 8.490 93 HG13 ILE 12 HG11 ILE 12 -3.717 32.333 10.161 94 HG21 ILE 12 HG21 ILE 12 -2.449 29.779 11.376 95 HG22 ILE 12 HG22 ILE 12 -3.827 28.721 11.071 96 HG23 ILE 12 HG23 ILE 12 -4.090 30.365 11.653 97 HD11 ILE 12 HD11 ILE 12 -0.961 31.829 9.065 98 HD12 ILE 12 HD12 ILE 12 -1.333 31.199 10.666 99 HD13 ILE 12 HD13 ILE 12 -1.468 32.926 10.348 100 H ASP 13 HN ASP 13 -4.704 28.186 7.706 101 HA ASP 13 HA ASP 13 -3.794 25.481 7.995 102 HB2 ASP 13 HB2 ASP 13 -4.408 26.023 10.350 103 HB3 ASP 13 HB1 ASP 13 -6.051 26.366 9.812 104 H ARG 14 HN ARG 14 -4.727 27.051 5.847 105 HA ARG 14 HA ARG 14 -7.421 26.016 5.269 106 HB2 ARG 14 HB2 ARG 14 -5.767 28.083 3.791 107 HB3 ARG 14 HB1 ARG 14 -7.416 27.605 3.386 108 HG2 ARG 14 HG2 ARG 14 -8.136 28.329 5.671 109 HG3 ARG 14 HG1 ARG 14 -6.503 28.922 5.963 110 HD2 ARG 14 HD2 ARG 14 -7.819 30.793 5.236 111 HD3 ARG 14 HD1 ARG 14 -6.742 30.360 3.912 112 HE ARG 14 HE ARG 14 -8.601 29.727 2.654 113 HH11 ARG 14 HH11 ARG 14 -9.580 30.155 6.004 114 HH12 ARG 14 HH12 ARG 14 -11.270 30.018 5.652 115 HH21 ARG 14 HH21 ARG 14 -10.822 29.568 2.245 116 HH22 ARG 14 HH22 ARG 14 -11.967 29.696 3.538 117 H GLY 15 HN GLY 15 -7.495 24.113 4.283 118 HA2 GLY 15 HA2 GLY 15 -5.658 23.590 2.037 119 HA3 GLY 15 HA1 GLY 15 -5.830 22.381 3.305 120 H ASP 16 HN ASP 16 -6.554 22.486 0.352 121 HA ASP 16 HA ASP 16 -9.262 21.378 0.656 122 HB2 ASP 16 HB2 ASP 16 -8.426 23.273 -1.544 123 HB3 ASP 16 HB1 ASP 16 -9.983 22.456 -1.420 124 H HIS 17 HN HIS 17 -9.833 19.795 -0.887 125 HA HIS 17 HA HIS 17 -7.918 18.961 -2.883 126 HB2 HIS 17 HB2 HIS 17 -7.621 16.674 -2.006 127 HB3 HIS 17 HB1 HIS 17 -6.950 17.879 -0.910 128 HD2 HIS 17 HD2 HIS 17 -9.592 15.056 -0.871 129 HE1 HIS 17 HE1 HIS 17 -10.042 17.190 2.744 130 HE2 HIS 17 HE2 HIS 17 -10.724 15.093 1.481 131 H ALA 18 HN ALA 18 -8.704 17.186 -4.223 132 HA ALA 18 HA ALA 18 -11.481 16.395 -3.982 133 HB1 ALA 18 HB1 ALA 18 -12.311 17.424 -5.940 134 HB2 ALA 18 HB2 ALA 18 -10.700 17.918 -6.464 135 HB3 ALA 18 HB3 ALA 18 -11.457 18.706 -5.081 136 H VAL 19 HN VAL 19 -12.073 14.723 -5.427 137 HA VAL 19 HA VAL 19 -9.926 12.970 -6.156 138 HB VAL 19 HB VAL 19 -11.709 11.476 -7.008 139 HG11 VAL 19 HG11 VAL 19 -12.729 11.037 -4.881 140 HG12 VAL 19 HG12 VAL 19 -12.509 12.708 -4.362 141 HG13 VAL 19 HG13 VAL 19 -11.109 11.652 -4.556 142 HG21 VAL 19 HG21 VAL 19 -13.647 13.656 -6.161 143 HG22 VAL 19 HG22 VAL 19 -14.030 12.131 -6.966 144 HG23 VAL 19 HG23 VAL 19 -13.166 13.398 -7.839 145 H HIS 20 HN HIS 20 -11.558 15.490 -7.829 146 HA HIS 20 HA HIS 20 -11.387 14.559 -10.501 147 HB2 HIS 20 HB2 HIS 20 -11.417 17.383 -9.412 148 HB3 HIS 20 HB1 HIS 20 -11.608 16.960 -11.112 149 HD2 HIS 20 HD2 HIS 20 -13.805 17.364 -8.014 150 HE1 HIS 20 HE1 HIS 20 -16.086 15.110 -10.759 151 HE2 HIS 20 HE2 HIS 20 -16.168 16.416 -8.582 152 H CYS 21 HN CYS 21 -9.892 14.988 -12.135 153 HA CYS 21 HA CYS 21 -7.129 15.096 -11.296 154 HB2 CYS 21 HB2 CYS 21 -8.390 14.967 -14.041 155 HB3 CYS 21 HB1 CYS 21 -6.668 14.768 -13.707 156 H ASP 22 HN ASP 22 -5.628 16.738 -11.724 157 HA ASP 22 HA ASP 22 -6.648 19.405 -11.947 158 HB2 ASP 22 HB2 ASP 22 -4.553 18.707 -10.678 159 HB3 ASP 22 HB1 ASP 22 -3.779 18.499 -12.237 160 H LYS 23 HN LYS 23 -6.932 20.592 -13.752 161 HA LYS 23 HA LYS 23 -6.672 19.406 -16.331 162 HB2 LYS 23 HB2 LYS 23 -7.278 22.221 -15.420 163 HB3 LYS 23 HB1 LYS 23 -7.156 21.802 -17.126 164 HG2 LYS 23 HG2 LYS 23 -9.459 21.579 -16.638 165 HG3 LYS 23 HG1 LYS 23 -8.854 19.925 -16.613 166 HD2 LYS 23 HD2 LYS 23 -8.907 19.798 -14.255 167 HD3 LYS 23 HD1 LYS 23 -8.941 21.551 -14.062 168 HE2 LYS 23 HE2 LYS 23 -11.147 20.619 -13.586 169 HE3 LYS 23 HE1 LYS 23 -11.219 21.595 -15.053 170 HZ1 LYS 23 HZ1 LYS 23 -12.315 19.321 -15.111 171 HZ2 LYS 23 HZ2 LYS 23 -10.743 18.676 -15.139 172 HZ3 LYS 23 HZ3 LYS 23 -11.269 19.699 -16.390 173 H ALA 24 HN ALA 24 -4.521 21.215 -14.348 174 HA ALA 24 HA ALA 24 -2.674 21.797 -16.560 175 HB1 ALA 24 HB1 ALA 24 -2.171 22.514 -13.690 176 HB2 ALA 24 HB2 ALA 24 -3.290 23.471 -14.662 177 HB3 ALA 24 HB3 ALA 24 -1.603 23.320 -15.154 178 H HIS 25 HN HIS 25 -3.125 19.747 -13.777 179 HA HIS 25 HA HIS 25 -0.643 18.310 -14.451 180 HB2 HIS 25 HB2 HIS 25 -1.731 18.957 -11.701 181 HB3 HIS 25 HB1 HIS 25 -0.458 17.777 -11.988 182 HD2 HIS 25 HD2 HIS 25 -0.785 21.523 -11.380 183 HE1 HIS 25 HE1 HIS 25 2.993 21.008 -13.192 184 HE2 HIS 25 HE2 HIS 25 1.501 22.647 -11.952 185 HA PRO 26 HA PRO 26 -4.522 15.539 -14.280 186 HB2 PRO 26 HB2 PRO 26 -4.653 14.804 -16.884 187 HB3 PRO 26 HB1 PRO 26 -5.453 16.258 -16.251 188 HG2 PRO 26 HG2 PRO 26 -2.860 16.015 -17.692 189 HG3 PRO 26 HG1 PRO 26 -4.179 17.172 -17.953 190 HD2 PRO 26 HD2 PRO 26 -1.973 17.846 -16.541 191 HD3 PRO 26 HD1 PRO 26 -3.577 18.487 -16.131 192 H ASN 27 HN ASN 27 -1.354 15.429 -15.691 193 HA ASN 27 HA ASN 27 -1.029 12.657 -16.087 194 HB2 ASN 27 HB2 ASN 27 0.953 14.875 -15.568 195 HB3 ASN 27 HB1 ASN 27 1.440 13.214 -15.882 196 HD21 ASN 27 HD21 ASN 27 2.083 15.441 -17.639 197 HD22 ASN 27 HD22 ASN 27 1.301 15.164 -19.119 198 H THR 28 HN THR 28 -0.654 14.727 -13.239 199 HA THR 28 HA THR 28 0.509 12.590 -11.645 200 HB THR 28 HB THR 28 0.497 14.268 -9.827 201 HG1 THR 28 HG1 THR 28 -0.372 16.234 -10.154 202 HG21 THR 28 HG21 THR 28 2.216 15.644 -10.736 203 HG22 THR 28 HG22 THR 28 1.548 15.527 -12.365 204 HG23 THR 28 HG23 THR 28 2.312 14.123 -11.622 205 H CYS 29 HN CYS 29 -2.614 13.443 -12.591 206 HA CYS 29 HA CYS 29 -4.081 13.137 -10.260 207 HB2 CYS 29 HB2 CYS 29 -5.034 14.040 -12.324 208 HB3 CYS 29 HB1 CYS 29 -4.869 12.461 -13.090 209 H LYS 30 HN LYS 30 -4.719 11.379 -9.104 210 HA LYS 30 HA LYS 30 -4.157 8.700 -10.204 211 HB2 LYS 30 HB2 LYS 30 -3.524 9.730 -7.467 212 HB3 LYS 30 HB1 LYS 30 -3.528 8.014 -7.894 213 HG2 LYS 30 HG2 LYS 30 -1.898 8.427 -9.670 214 HG3 LYS 30 HG1 LYS 30 -1.907 10.151 -9.295 215 HD2 LYS 30 HD2 LYS 30 -1.170 9.659 -7.055 216 HD3 LYS 30 HD1 LYS 30 -1.077 7.939 -7.424 217 HE2 LYS 30 HE2 LYS 30 0.422 10.080 -8.941 218 HE3 LYS 30 HE1 LYS 30 1.151 9.107 -7.657 219 HZ1 LYS 30 HZ1 LYS 30 0.503 7.120 -8.981 220 HZ2 LYS 30 HZ2 LYS 30 1.653 8.106 -9.749 221 HZ3 LYS 30 HZ3 LYS 30 0.026 8.154 -10.236 222 H LYS 31 HN LYS 31 -5.459 6.984 -9.461 223 HA LYS 31 HA LYS 31 -7.936 7.751 -8.057 224 HB2 LYS 31 HB2 LYS 31 -7.737 5.871 -10.433 225 HB3 LYS 31 HB1 LYS 31 -9.197 6.215 -9.513 226 HG2 LYS 31 HG2 LYS 31 -7.611 8.368 -10.912 227 HG3 LYS 31 HG1 LYS 31 -8.963 7.531 -11.676 228 HD2 LYS 31 HD2 LYS 31 -10.430 8.262 -9.788 229 HD3 LYS 31 HD1 LYS 31 -9.073 9.172 -9.121 230 HE2 LYS 31 HE2 LYS 31 -8.943 10.505 -11.178 231 HE3 LYS 31 HE1 LYS 31 -10.288 9.596 -11.866 232 HZ1 LYS 31 HZ1 LYS 31 -11.764 10.464 -10.293 233 HZ2 LYS 31 HZ2 LYS 31 -10.830 11.798 -10.770 234 HZ3 LYS 31 HZ3 LYS 31 -10.523 11.028 -9.288 235 H LYS 32 HN LYS 32 -8.948 6.107 -6.852 236 HA LYS 32 HA LYS 32 -7.189 3.814 -6.181 237 HB2 LYS 32 HB2 LYS 32 -8.717 5.496 -4.168 238 HB3 LYS 32 HB1 LYS 32 -7.635 4.155 -3.813 239 HG2 LYS 32 HG2 LYS 32 -6.754 6.698 -5.212 240 HG3 LYS 32 HG1 LYS 32 -6.550 6.415 -3.491 241 HD2 LYS 32 HD2 LYS 32 -5.130 4.454 -3.968 242 HD3 LYS 32 HD1 LYS 32 -5.360 4.700 -5.700 243 HE2 LYS 32 HE2 LYS 32 -4.359 6.924 -5.525 244 HE3 LYS 32 HE1 LYS 32 -4.093 6.681 -3.796 245 HZ1 LYS 32 HZ1 LYS 32 -2.796 5.325 -6.075 246 HZ2 LYS 32 HZ2 LYS 32 -2.871 4.566 -4.558 247 HZ3 LYS 32 HZ3 LYS 32 -2.077 6.060 -4.726 248 H GLN 33 HN GLN 33 -8.197 1.942 -5.390 249 HA GLN 33 HA GLN 33 -11.087 1.801 -5.289 250 HB2 GLN 33 HB2 GLN 33 -11.336 0.127 -7.049 251 HB3 GLN 33 HB1 GLN 33 -10.610 1.583 -7.723 252 HG2 GLN 33 HG2 GLN 33 -8.341 0.430 -7.269 253 HG3 GLN 33 HG1 GLN 33 -9.273 -1.044 -7.067 254 HE21 GLN 33 HE21 GLN 33 -9.790 -2.186 -8.948 255 HE22 GLN 33 HE22 GLN 33 -9.656 -1.559 -10.520 256 H ALA 34 HN ALA 34 -11.778 -0.555 -4.912 257 HA ALA 34 HA ALA 34 -9.774 -1.985 -3.278 258 HB1 ALA 34 HB1 ALA 34 -11.872 -2.591 -1.821 259 HB2 ALA 34 HB2 ALA 34 -12.535 -1.111 -2.515 260 HB3 ALA 34 HB3 ALA 34 -11.043 -1.052 -1.577 261 H ASN 35 HN ASN 35 -10.734 -2.450 -6.041 262 HA ASN 35 HA ASN 35 -11.311 -4.203 -7.412 263 HB2 ASN 35 HB2 ASN 35 -10.876 -5.826 -4.890 264 HB3 ASN 35 HB1 ASN 35 -11.041 -6.495 -6.510 265 HD21 ASN 35 HD21 ASN 35 -8.873 -7.304 -6.710 266 HD22 ASN 35 HD22 ASN 35 -7.518 -6.282 -6.742 267 HA PRO 36 HA PRO 36 -15.682 -4.747 -6.971 268 HB2 PRO 36 HB2 PRO 36 -16.225 -6.795 -8.642 269 HB3 PRO 36 HB1 PRO 36 -15.704 -5.202 -9.233 270 HG2 PRO 36 HG2 PRO 36 -14.130 -7.698 -8.892 271 HG3 PRO 36 HG1 PRO 36 -14.099 -6.516 -10.212 272 HD2 PRO 36 HD2 PRO 36 -12.235 -6.573 -8.225 273 HD3 PRO 36 HD1 PRO 36 -12.675 -5.090 -9.087 274 H TYR 37 HN TYR 37 -13.605 -7.469 -6.386 275 HA TYR 37 HA TYR 37 -15.430 -9.351 -5.367 276 HB2 TYR 37 HB2 TYR 37 -13.116 -9.865 -6.069 277 HB3 TYR 37 HB1 TYR 37 -12.500 -8.924 -4.718 278 HD1 TYR 37 HD1 TYR 37 -14.507 -11.946 -5.603 279 HD2 TYR 37 HD2 TYR 37 -12.381 -9.854 -2.507 280 HE1 TYR 37 HE1 TYR 37 -14.693 -13.933 -4.126 281 HE2 TYR 37 HE2 TYR 37 -12.569 -11.840 -1.036 282 HH TYR 37 HH TYR 37 -14.677 -14.356 -1.603 283 H ARG 38 HN ARG 38 -16.443 -9.510 -3.436 284 HA ARG 38 HA ARG 38 -15.528 -7.852 -1.177 285 HB2 ARG 38 HB2 ARG 38 -17.390 -6.674 -2.352 286 HB3 ARG 38 HB1 ARG 38 -18.420 -8.072 -2.031 287 HG2 ARG 38 HG2 ARG 38 -18.156 -7.758 0.377 288 HG3 ARG 38 HG1 ARG 38 -17.029 -6.428 0.109 289 HD2 ARG 38 HD2 ARG 38 -18.792 -5.134 -1.007 290 HD3 ARG 38 HD1 ARG 38 -19.922 -6.467 -0.794 291 HE ARG 38 HE ARG 38 -20.163 -5.862 1.445 292 HH11 ARG 38 HH11 ARG 38 -17.432 -4.130 0.070 293 HH12 ARG 38 HH12 ARG 38 -17.233 -3.099 1.448 294 HH21 ARG 38 HH21 ARG 38 -19.870 -4.503 3.223 295 HH22 ARG 38 HH22 ARG 38 -18.614 -3.310 3.224 296 H ARG 39 HN ARG 39 -15.685 -8.749 0.761 297 HA ARG 39 HA ARG 39 -17.340 -11.057 1.268 298 HB2 ARG 39 HB2 ARG 39 -15.257 -11.957 0.163 299 HB3 ARG 39 HB1 ARG 39 -14.346 -11.351 1.545 300 HG2 ARG 39 HG2 ARG 39 -15.721 -12.717 3.070 301 HG3 ARG 39 HG1 ARG 39 -16.641 -13.330 1.694 302 HD2 ARG 39 HD2 ARG 39 -14.542 -14.263 0.740 303 HD3 ARG 39 HD1 ARG 39 -13.670 -13.708 2.165 304 HE ARG 39 HE ARG 39 -15.450 -16.004 2.000 305 HH11 ARG 39 HH11 ARG 39 -13.901 -13.700 4.153 306 HH12 ARG 39 HH12 ARG 39 -14.029 -14.727 5.543 307 HH21 ARG 39 HH21 ARG 39 -15.602 -17.312 3.850 308 HH22 ARG 39 HH22 ARG 39 -14.986 -16.755 5.369 309 H GLY 40 HN GLY 40 -17.785 -11.275 3.444 310 HA2 GLY 40 HA2 GLY 40 -16.343 -9.471 5.302 311 HA3 GLY 40 HA1 GLY 40 -18.100 -9.594 5.300 312 H CYS 41 HN CYS 41 -16.594 -10.051 7.598 313 HA CYS 41 HA CYS 41 -16.384 -12.946 7.973 314 HB2 CYS 41 HB2 CYS 41 -14.645 -11.490 8.932 315 HB3 CYS 41 HB1 CYS 41 -15.866 -10.650 9.883 316 H GLY 42 HN GLY 42 -18.177 -14.046 8.421 317 HA2 GLY 42 HA2 GLY 42 -20.108 -12.946 10.366 318 HA3 GLY 42 HA1 GLY 42 -20.686 -13.552 8.822 319 H VAL 43 HN VAL 43 -17.979 -15.181 10.225 320 HA VAL 43 HA VAL 43 -19.301 -17.687 10.320 321 HB VAL 43 HB VAL 43 -17.231 -18.509 11.405 322 HG11 VAL 43 HG11 VAL 43 -17.415 -18.138 8.919 323 HG12 VAL 43 HG12 VAL 43 -15.766 -18.080 9.540 324 HG13 VAL 43 HG13 VAL 43 -16.615 -16.584 9.154 325 HG21 VAL 43 HG21 VAL 43 -15.388 -16.978 11.885 326 HG22 VAL 43 HG22 VAL 43 -16.805 -16.440 12.781 327 HG23 VAL 43 HG23 VAL 43 -16.331 -15.607 11.303 328 H LEU 44 HN LEU 44 -18.715 -15.227 12.741 329 HA LEU 44 HA LEU 44 -19.500 -14.900 14.866 330 HB2 LEU 44 HB2 LEU 44 -21.446 -17.098 14.109 331 HB3 LEU 44 HB1 LEU 44 -21.557 -16.119 15.568 332 HG LEU 44 HG LEU 44 -21.498 -14.936 12.773 333 HD11 LEU 44 HD11 LEU 44 -23.487 -16.443 13.248 334 HD12 LEU 44 HD12 LEU 44 -23.897 -14.767 12.885 335 HD13 LEU 44 HD13 LEU 44 -23.917 -15.338 14.554 336 HD21 LEU 44 HD21 LEU 44 -22.175 -13.840 15.529 337 HD22 LEU 44 HD22 LEU 44 -22.521 -12.976 14.032 338 HD23 LEU 44 HD23 LEU 44 -20.854 -13.329 14.479 339 H GLU 45 HN GLU 45 -17.761 -17.560 14.025 340 HA GLU 45 HA GLU 45 -17.941 -19.258 16.298 341 HB2 GLU 45 HB2 GLU 45 -15.758 -18.794 14.271 342 HB3 GLU 45 HB1 GLU 45 -15.663 -20.023 15.531 343 HG2 GLU 45 HG2 GLU 45 -17.644 -21.142 14.687 344 HG3 GLU 45 HG1 GLU 45 -17.942 -19.843 13.539 345 H GLY 46 HN GLY 46 -16.043 -16.422 15.511 346 HA2 GLY 46 HA2 GLY 46 -15.646 -15.346 17.972 347 HA3 GLY 46 HA1 GLY 46 -14.338 -16.527 17.835 348 H CYS 47 HN CYS 47 -15.915 -14.208 15.664 349 HA CYS 47 HA CYS 47 -13.523 -13.608 14.210 350 HB2 CYS 47 HB2 CYS 47 -15.943 -13.592 13.403 351 HB3 CYS 47 HB1 CYS 47 -16.096 -12.037 14.221 352 H HIS 48 HN HIS 48 -11.981 -12.140 14.740 353 HA HIS 48 HA HIS 48 -12.683 -9.692 16.130 354 HB2 HIS 48 HB2 HIS 48 -12.356 -11.415 17.938 355 HB3 HIS 48 HB1 HIS 48 -10.674 -11.541 17.423 356 HD2 HIS 48 HD2 HIS 48 -9.117 -9.848 18.936 357 HE1 HIS 48 HE1 HIS 48 -11.983 -6.833 19.642 358 HE2 HIS 48 HE2 HIS 48 -9.589 -7.555 20.085 359 H ARG 49 HN ARG 49 -11.240 -8.044 15.817 360 HA ARG 49 HA ARG 49 -9.530 -8.156 13.584 361 HB2 ARG 49 HB2 ARG 49 -10.708 -6.106 14.368 362 HB3 ARG 49 HB1 ARG 49 -9.587 -6.019 15.725 363 HG2 ARG 49 HG2 ARG 49 -7.694 -5.732 14.236 364 HG3 ARG 49 HG1 ARG 49 -8.698 -6.037 12.818 365 HD2 ARG 49 HD2 ARG 49 -9.073 -3.719 14.737 366 HD3 ARG 49 HD1 ARG 49 -8.265 -3.610 13.175 367 HE ARG 49 HE ARG 49 -10.789 -4.730 12.712 368 HH11 ARG 49 HH11 ARG 49 -9.493 -1.674 13.865 369 HH12 ARG 49 HH12 ARG 49 -10.849 -0.752 13.309 370 HH21 ARG 49 HH21 ARG 49 -12.544 -3.490 12.018 371 HH22 ARG 49 HH22 ARG 49 -12.566 -1.777 12.268 372 H GLU 50 HN GLU 50 -8.755 -8.295 17.065 373 HA GLU 50 HA GLU 50 -5.901 -8.449 16.394 374 HB2 GLU 50 HB2 GLU 50 -7.150 -8.090 19.125 375 HB3 GLU 50 HB1 GLU 50 -5.448 -7.968 18.716 376 HG2 GLU 50 HG2 GLU 50 -5.986 -6.069 17.165 377 HG3 GLU 50 HG1 GLU 50 -7.649 -6.129 17.737 378 H THR 51 HN THR 51 -4.603 -10.024 17.285 379 HA THR 51 HA THR 51 -5.681 -12.602 17.187 380 HB THR 51 HB THR 51 -3.010 -11.656 18.254 381 HG1 THR 51 HG1 THR 51 -3.939 -12.449 15.697 382 HG21 THR 51 HG21 THR 51 -2.321 -14.027 17.507 383 HG22 THR 51 HG22 THR 51 -4.046 -14.395 17.494 384 HG23 THR 51 HG23 THR 51 -3.259 -13.906 18.996 385 H GLY 52 HN GLY 52 -4.637 -10.557 19.893 386 HA2 GLY 52 HA2 GLY 52 -6.440 -11.854 21.721 387 HA3 GLY 52 HA1 GLY 52 -4.745 -12.234 22.020 388 HA PRO 53 HA PRO 53 -6.015 -7.914 23.768 389 HB2 PRO 53 HB2 PRO 53 -6.315 -8.422 26.385 390 HB3 PRO 53 HB1 PRO 53 -7.653 -8.634 25.229 391 HG2 PRO 53 HG2 PRO 53 -5.775 -10.679 26.328 392 HG3 PRO 53 HG1 PRO 53 -7.553 -10.747 26.224 393 HD2 PRO 53 HD2 PRO 53 -5.998 -11.986 24.408 394 HD3 PRO 53 HD1 PRO 53 -7.522 -11.196 23.924 395 H LYS 54 HN LYS 54 -3.959 -10.494 25.061 396 HA LYS 54 HA LYS 54 -1.888 -8.491 25.683 397 HB2 LYS 54 HB2 LYS 54 -3.012 -9.280 27.771 398 HB3 LYS 54 HB1 LYS 54 -2.480 -10.916 27.403 399 HG2 LYS 54 HG2 LYS 54 -0.161 -10.286 27.539 400 HG3 LYS 54 HG1 LYS 54 -0.562 -8.573 27.630 401 HD2 LYS 54 HD2 LYS 54 -1.556 -10.537 29.713 402 HD3 LYS 54 HD1 LYS 54 0.034 -9.787 29.844 403 HE2 LYS 54 HE2 LYS 54 -2.494 -8.182 29.450 404 HE3 LYS 54 HE1 LYS 54 -1.842 -8.555 31.050 405 HZ1 LYS 54 HZ1 LYS 54 -0.957 -6.479 30.469 406 HZ2 LYS 54 HZ2 LYS 54 -0.610 -6.969 28.878 407 HZ3 LYS 54 HZ3 LYS 54 0.302 -7.575 30.177 408 HA PRO 55 HA PRO 55 -0.197 -11.818 22.762 409 HB2 PRO 55 HB2 PRO 55 1.087 -9.943 21.191 410 HB3 PRO 55 HB1 PRO 55 -0.558 -10.545 20.876 411 HG2 PRO 55 HG2 PRO 55 0.294 -8.063 22.312 412 HG3 PRO 55 HG1 PRO 55 -0.927 -8.258 21.041 413 HD2 PRO 55 HD2 PRO 55 -1.752 -8.106 23.575 414 HD3 PRO 55 HD1 PRO 55 -2.446 -9.333 22.489 415 H THR 56 HN THR 56 0.945 -9.088 24.630 416 HA THR 56 HA THR 56 3.676 -9.135 24.346 417 HB THR 56 HB THR 56 2.287 -8.771 27.005 418 HG1 THR 56 HG1 THR 56 2.222 -6.533 26.212 419 HG21 THR 56 HG21 THR 56 4.116 -7.125 27.339 420 HG22 THR 56 HG22 THR 56 4.794 -7.587 25.779 421 HG23 THR 56 HG23 THR 56 4.729 -8.761 27.096 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 7.097 20.073 25.893 2 H2 GLU 1 HT2 GLU 1 6.634 19.793 27.505 3 H3 GLU 1 HT3 GLU 1 6.349 21.306 26.784 4 HA GLU 1 HA GLU 1 4.465 19.523 27.023 5 HB2 GLU 1 HB2 GLU 1 4.801 21.886 25.629 6 HB3 GLU 1 HB1 GLU 1 4.429 20.776 24.318 7 HG2 GLU 1 HG2 GLU 1 2.733 20.861 26.817 8 HG3 GLU 1 HG1 GLU 1 2.448 21.977 25.482 9 H ALA 2 HN ALA 2 4.880 17.350 26.807 10 HA ALA 2 HA ALA 2 6.185 16.117 24.622 11 HB1 ALA 2 HB1 ALA 2 4.137 14.943 26.520 12 HB2 ALA 2 HB2 ALA 2 5.878 15.003 26.796 13 HB3 ALA 2 HB3 ALA 2 5.227 14.025 25.480 14 H SER 3 HN SER 3 5.443 15.268 22.718 15 HA SER 3 HA SER 3 3.063 16.383 21.608 16 HB2 SER 3 HB2 SER 3 3.660 15.194 19.595 17 HB3 SER 3 HB1 SER 3 5.125 15.857 20.308 18 HG SER 3 HG SER 3 5.563 13.815 21.166 19 H VAL 4 HN VAL 4 1.246 15.276 20.770 20 HA VAL 4 HA VAL 4 0.644 12.565 21.133 21 HB VAL 4 HB VAL 4 0.669 13.109 23.554 22 HG11 VAL 4 HG11 VAL 4 -0.051 15.531 23.168 23 HG12 VAL 4 HG12 VAL 4 -0.776 14.705 24.547 24 HG13 VAL 4 HG13 VAL 4 -1.701 14.914 23.061 25 HG21 VAL 4 HG21 VAL 4 -0.944 11.409 22.600 26 HG22 VAL 4 HG22 VAL 4 -2.177 12.669 22.588 27 HG23 VAL 4 HG23 VAL 4 -1.483 12.131 24.116 28 H ARG 5 HN ARG 5 -0.693 12.264 19.469 29 HA ARG 5 HA ARG 5 -2.960 14.101 19.096 30 HB2 ARG 5 HB2 ARG 5 -1.056 13.300 16.882 31 HB3 ARG 5 HB1 ARG 5 -2.567 14.182 16.656 32 HG2 ARG 5 HG2 ARG 5 -1.706 15.971 18.178 33 HG3 ARG 5 HG1 ARG 5 -0.168 15.114 18.265 34 HD2 ARG 5 HD2 ARG 5 0.047 16.822 16.575 35 HD3 ARG 5 HD1 ARG 5 -0.025 15.264 15.758 36 HE ARG 5 HE ARG 5 -2.074 15.884 14.835 37 HH11 ARG 5 HH11 ARG 5 -1.244 18.147 17.397 38 HH12 ARG 5 HH12 ARG 5 -2.531 19.240 17.011 39 HH21 ARG 5 HH21 ARG 5 -3.742 17.339 14.374 40 HH22 ARG 5 HH22 ARG 5 -3.935 18.783 15.311 41 H TYR 6 HN TYR 6 -4.750 13.235 17.989 42 HA TYR 6 HA TYR 6 -4.700 10.340 17.458 43 HB2 TYR 6 HB2 TYR 6 -6.850 11.815 19.010 44 HB3 TYR 6 HB1 TYR 6 -6.951 10.137 18.483 45 HD1 TYR 6 HD1 TYR 6 -5.396 12.477 20.844 46 HD2 TYR 6 HD2 TYR 6 -5.492 8.410 19.467 47 HE1 TYR 6 HE1 TYR 6 -4.159 11.762 22.870 48 HE2 TYR 6 HE2 TYR 6 -4.255 7.695 21.493 49 HH TYR 6 HH TYR 6 -2.509 9.217 23.213 50 H ILE 7 HN ILE 7 -6.139 9.655 15.830 51 HA ILE 7 HA ILE 7 -7.513 11.800 14.357 52 HB ILE 7 HB ILE 7 -5.304 11.404 13.300 53 HG12 ILE 7 HG12 ILE 7 -7.482 10.288 11.505 54 HG13 ILE 7 HG11 ILE 7 -7.460 11.985 12.004 55 HG21 ILE 7 HG21 ILE 7 -4.917 9.236 12.124 56 HG22 ILE 7 HG22 ILE 7 -6.361 8.586 12.900 57 HG23 ILE 7 HG23 ILE 7 -4.971 9.055 13.878 58 HD11 ILE 7 HD11 ILE 7 -6.334 11.882 9.885 59 HD12 ILE 7 HD12 ILE 7 -5.356 10.506 10.397 60 HD13 ILE 7 HD13 ILE 7 -5.081 12.097 11.108 61 H THR 8 HN THR 8 -9.354 11.221 13.232 62 HA THR 8 HA THR 8 -10.293 8.433 13.500 63 HB THR 8 HB THR 8 -12.567 9.272 13.948 64 HG1 THR 8 HG1 THR 8 -12.187 11.331 12.935 65 HG21 THR 8 HG21 THR 8 -12.164 10.078 16.252 66 HG22 THR 8 HG22 THR 8 -10.467 10.340 15.851 67 HG23 THR 8 HG23 THR 8 -11.131 8.706 15.850 68 H TYR 9 HN TYR 9 -11.980 7.850 11.940 69 HA TYR 9 HA TYR 9 -11.260 8.673 9.315 70 HB2 TYR 9 HB2 TYR 9 -13.559 6.986 10.309 71 HB3 TYR 9 HB1 TYR 9 -13.165 7.219 8.604 72 HD1 TYR 9 HD1 TYR 9 -12.032 5.748 11.795 73 HD2 TYR 9 HD2 TYR 9 -11.179 6.233 7.614 74 HE1 TYR 9 HE1 TYR 9 -10.309 3.971 11.942 75 HE2 TYR 9 HE2 TYR 9 -9.453 4.457 7.759 76 HH TYR 9 HH TYR 9 -8.294 3.264 10.738 77 HA PRO 10 HA PRO 10 -13.944 12.175 8.728 78 HB2 PRO 10 HB2 PRO 10 -14.434 12.116 6.055 79 HB3 PRO 10 HB1 PRO 10 -12.868 12.587 6.751 80 HG2 PRO 10 HG2 PRO 10 -13.694 9.981 5.568 81 HG3 PRO 10 HG1 PRO 10 -12.174 10.874 5.379 82 HD2 PRO 10 HD2 PRO 10 -12.424 8.748 7.051 83 HD3 PRO 10 HD1 PRO 10 -11.312 10.092 7.388 84 H ALA 11 HN ALA 11 -15.082 9.094 7.384 85 HA ALA 11 HA ALA 11 -17.156 8.177 7.122 86 HB1 ALA 11 HB1 ALA 11 -17.510 8.137 9.415 87 HB2 ALA 11 HB2 ALA 11 -18.875 9.122 8.885 88 HB3 ALA 11 HB3 ALA 11 -17.441 9.894 9.562 89 H ILE 12 HN ILE 12 -17.341 9.121 5.024 90 HA ILE 12 HA ILE 12 -19.294 11.346 4.906 91 HB ILE 12 HB ILE 12 -17.458 10.839 2.582 92 HG12 ILE 12 HG12 ILE 12 -16.166 12.974 3.953 93 HG13 ILE 12 HG11 ILE 12 -16.531 11.831 5.242 94 HG21 ILE 12 HG21 ILE 12 -17.881 13.149 2.062 95 HG22 ILE 12 HG22 ILE 12 -18.589 13.435 3.651 96 HG23 ILE 12 HG23 ILE 12 -19.423 12.404 2.488 97 HD11 ILE 12 HD11 ILE 12 -15.276 10.102 4.201 98 HD12 ILE 12 HD12 ILE 12 -14.284 11.552 4.030 99 HD13 ILE 12 HD13 ILE 12 -15.221 10.959 2.662 100 H ASP 13 HN ASP 13 -20.082 8.704 5.115 101 HA ASP 13 HA ASP 13 -21.681 7.302 4.231 102 HB2 ASP 13 HB2 ASP 13 -22.388 9.375 2.825 103 HB3 ASP 13 HB1 ASP 13 -21.485 8.607 1.522 104 H ARG 14 HN ARG 14 -18.546 7.802 2.983 105 HA ARG 14 HA ARG 14 -17.005 6.459 1.993 106 HB2 ARG 14 HB2 ARG 14 -18.736 4.485 3.476 107 HB3 ARG 14 HB1 ARG 14 -17.148 4.104 2.804 108 HG2 ARG 14 HG2 ARG 14 -16.062 5.724 4.220 109 HG3 ARG 14 HG1 ARG 14 -17.601 6.420 4.708 110 HD2 ARG 14 HD2 ARG 14 -18.224 4.363 5.825 111 HD3 ARG 14 HD1 ARG 14 -16.723 3.582 5.323 112 HE ARG 14 HE ARG 14 -17.069 5.559 7.451 113 HH11 ARG 14 HH11 ARG 14 -14.779 3.885 5.378 114 HH12 ARG 14 HH12 ARG 14 -13.436 4.163 6.435 115 HH21 ARG 14 HH21 ARG 14 -15.303 5.861 8.818 116 HH22 ARG 14 HH22 ARG 14 -13.735 5.276 8.373 117 H GLY 15 HN GLY 15 -19.340 7.082 0.330 118 HA2 GLY 15 HA2 GLY 15 -19.743 4.666 -1.269 119 HA3 GLY 15 HA1 GLY 15 -20.562 6.212 -1.496 120 H ASP 16 HN ASP 16 -19.904 5.606 -3.803 121 HA ASP 16 HA ASP 16 -17.113 6.170 -4.445 122 HB2 ASP 16 HB2 ASP 16 -18.272 4.360 -5.650 123 HB3 ASP 16 HB1 ASP 16 -19.446 5.520 -6.268 124 H HIS 17 HN HIS 17 -16.620 8.267 -4.256 125 HA HIS 17 HA HIS 17 -18.484 10.314 -5.244 126 HB2 HIS 17 HB2 HIS 17 -15.982 10.503 -3.557 127 HB3 HIS 17 HB1 HIS 17 -16.903 11.901 -4.113 128 HD2 HIS 17 HD2 HIS 17 -19.260 12.405 -2.673 129 HE1 HIS 17 HE1 HIS 17 -19.061 9.022 -0.157 130 HE2 HIS 17 HE2 HIS 17 -20.301 11.190 -0.610 131 H ALA 18 HN ALA 18 -18.113 11.503 -7.023 132 HA ALA 18 HA ALA 18 -16.258 10.679 -8.966 133 HB1 ALA 18 HB1 ALA 18 -17.026 12.511 -10.280 134 HB2 ALA 18 HB2 ALA 18 -17.536 13.409 -8.851 135 HB3 ALA 18 HB3 ALA 18 -18.415 11.963 -9.342 136 H VAL 19 HN VAL 19 -14.264 11.329 -9.531 137 HA VAL 19 HA VAL 19 -12.999 13.516 -7.989 138 HB VAL 19 HB VAL 19 -11.722 10.860 -8.760 139 HG11 VAL 19 HG11 VAL 19 -9.834 11.752 -7.301 140 HG12 VAL 19 HG12 VAL 19 -10.621 13.327 -7.380 141 HG13 VAL 19 HG13 VAL 19 -10.027 12.566 -8.855 142 HG21 VAL 19 HG21 VAL 19 -13.323 10.765 -6.830 143 HG22 VAL 19 HG22 VAL 19 -12.366 12.004 -6.019 144 HG23 VAL 19 HG23 VAL 19 -11.660 10.425 -6.354 145 H HIS 20 HN HIS 20 -12.104 15.051 -9.217 146 HA HIS 20 HA HIS 20 -11.734 14.508 -12.100 147 HB2 HIS 20 HB2 HIS 20 -12.301 17.099 -10.640 148 HB3 HIS 20 HB1 HIS 20 -11.892 17.005 -12.350 149 HD2 HIS 20 HD2 HIS 20 -14.038 14.050 -12.283 150 HE1 HIS 20 HE1 HIS 20 -16.871 17.179 -12.291 151 HE2 HIS 20 HE2 HIS 20 -16.536 14.691 -12.671 152 H CYS 21 HN CYS 21 -9.791 14.614 -12.971 153 HA CYS 21 HA CYS 21 -7.453 14.997 -11.365 154 HB2 CYS 21 HB2 CYS 21 -7.878 14.554 -14.317 155 HB3 CYS 21 HB1 CYS 21 -6.283 14.743 -13.597 156 H ASP 22 HN ASP 22 -5.737 16.565 -11.768 157 HA ASP 22 HA ASP 22 -6.704 19.229 -11.927 158 HB2 ASP 22 HB2 ASP 22 -4.642 18.410 -10.665 159 HB3 ASP 22 HB1 ASP 22 -3.837 18.330 -12.221 160 H LYS 23 HN LYS 23 -6.902 20.564 -13.636 161 HA LYS 23 HA LYS 23 -6.611 19.581 -16.305 162 HB2 LYS 23 HB2 LYS 23 -7.246 22.283 -15.123 163 HB3 LYS 23 HB1 LYS 23 -6.954 22.112 -16.852 164 HG2 LYS 23 HG2 LYS 23 -9.317 21.891 -16.587 165 HG3 LYS 23 HG1 LYS 23 -8.719 20.250 -16.821 166 HD2 LYS 23 HD2 LYS 23 -8.827 19.798 -14.444 167 HD3 LYS 23 HD1 LYS 23 -9.205 21.487 -14.093 168 HE2 LYS 23 HE2 LYS 23 -11.319 21.267 -15.354 169 HE3 LYS 23 HE1 LYS 23 -10.939 19.579 -15.692 170 HZ1 LYS 23 HZ1 LYS 23 -10.792 19.288 -13.213 171 HZ2 LYS 23 HZ2 LYS 23 -12.350 19.583 -13.826 172 HZ3 LYS 23 HZ3 LYS 23 -11.484 20.828 -13.061 173 H ALA 24 HN ALA 24 -4.456 21.162 -14.129 174 HA ALA 24 HA ALA 24 -2.552 21.855 -16.259 175 HB1 ALA 24 HB1 ALA 24 -2.225 22.404 -13.309 176 HB2 ALA 24 HB2 ALA 24 -3.105 23.491 -14.384 177 HB3 ALA 24 HB3 ALA 24 -1.393 23.173 -14.660 178 H HIS 25 HN HIS 25 -3.102 19.640 -13.623 179 HA HIS 25 HA HIS 25 -0.639 18.187 -14.347 180 HB2 HIS 25 HB2 HIS 25 -1.776 18.689 -11.587 181 HB3 HIS 25 HB1 HIS 25 -0.540 17.480 -11.916 182 HD2 HIS 25 HD2 HIS 25 -0.808 21.277 -11.290 183 HE1 HIS 25 HE1 HIS 25 3.110 20.576 -12.696 184 HE2 HIS 25 HE2 HIS 25 1.570 22.297 -11.641 185 HA PRO 26 HA PRO 26 -4.628 15.570 -14.457 186 HB2 PRO 26 HB2 PRO 26 -4.719 15.003 -17.105 187 HB3 PRO 26 HB1 PRO 26 -5.467 16.453 -16.400 188 HG2 PRO 26 HG2 PRO 26 -2.849 16.179 -17.789 189 HG3 PRO 26 HG1 PRO 26 -4.109 17.412 -17.993 190 HD2 PRO 26 HD2 PRO 26 -1.913 17.886 -16.491 191 HD3 PRO 26 HD1 PRO 26 -3.500 18.566 -16.074 192 H ASN 27 HN ASN 27 -1.476 15.343 -15.874 193 HA ASN 27 HA ASN 27 -1.399 12.522 -16.314 194 HB2 ASN 27 HB2 ASN 27 0.760 14.614 -16.116 195 HB3 ASN 27 HB1 ASN 27 1.117 12.913 -16.384 196 HD21 ASN 27 HD21 ASN 27 1.735 14.951 -18.332 197 HD22 ASN 27 HD22 ASN 27 0.771 14.675 -19.704 198 H THR 28 HN THR 28 -0.808 14.539 -13.499 199 HA THR 28 HA THR 28 0.319 12.207 -12.062 200 HB THR 28 HB THR 28 1.313 13.856 -10.510 201 HG1 THR 28 HG1 THR 28 0.478 15.764 -10.579 202 HG21 THR 28 HG21 THR 28 2.516 13.006 -12.549 203 HG22 THR 28 HG22 THR 28 3.056 14.597 -12.011 204 HG23 THR 28 HG23 THR 28 1.981 14.454 -13.402 205 H CYS 29 HN CYS 29 -2.639 13.329 -12.416 206 HA CYS 29 HA CYS 29 -3.465 14.000 -9.784 207 HB2 CYS 29 HB2 CYS 29 -5.730 13.772 -10.593 208 HB3 CYS 29 HB1 CYS 29 -4.768 14.545 -11.849 209 H LYS 30 HN LYS 30 -4.588 12.761 -8.238 210 HA LYS 30 HA LYS 30 -4.642 9.843 -8.558 211 HB2 LYS 30 HB2 LYS 30 -3.319 11.160 -6.166 212 HB3 LYS 30 HB1 LYS 30 -3.517 9.434 -6.430 213 HG2 LYS 30 HG2 LYS 30 -1.934 11.243 -8.288 214 HG3 LYS 30 HG1 LYS 30 -1.204 10.322 -6.980 215 HD2 LYS 30 HD2 LYS 30 -2.845 9.024 -9.184 216 HD3 LYS 30 HD1 LYS 30 -1.097 9.214 -9.271 217 HE2 LYS 30 HE2 LYS 30 -0.877 7.941 -7.138 218 HE3 LYS 30 HE1 LYS 30 -2.621 7.692 -7.130 219 HZ1 LYS 30 HZ1 LYS 30 -0.655 6.693 -9.105 220 HZ2 LYS 30 HZ2 LYS 30 -2.331 6.688 -9.393 221 HZ3 LYS 30 HZ3 LYS 30 -1.684 5.788 -8.106 222 H LYS 31 HN LYS 31 -5.075 12.137 -5.874 223 HA LYS 31 HA LYS 31 -7.913 11.421 -5.753 224 HB2 LYS 31 HB2 LYS 31 -6.038 11.276 -3.381 225 HB3 LYS 31 HB1 LYS 31 -7.788 11.084 -3.308 226 HG2 LYS 31 HG2 LYS 31 -5.998 9.330 -5.009 227 HG3 LYS 31 HG1 LYS 31 -6.483 8.899 -3.376 228 HD2 LYS 31 HD2 LYS 31 -8.886 9.090 -4.103 229 HD3 LYS 31 HD1 LYS 31 -8.319 9.357 -5.752 230 HE2 LYS 31 HE2 LYS 31 -7.653 6.914 -4.089 231 HE3 LYS 31 HE1 LYS 31 -8.922 6.971 -5.312 232 HZ1 LYS 31 HZ1 LYS 31 -6.008 7.050 -5.647 233 HZ2 LYS 31 HZ2 LYS 31 -6.979 7.861 -6.782 234 HZ3 LYS 31 HZ3 LYS 31 -7.171 6.191 -6.531 235 H LYS 32 HN LYS 32 -9.218 12.900 -4.568 236 HA LYS 32 HA LYS 32 -7.969 15.559 -4.152 237 HB2 LYS 32 HB2 LYS 32 -10.680 15.088 -5.437 238 HB3 LYS 32 HB1 LYS 32 -9.869 16.634 -5.216 239 HG2 LYS 32 HG2 LYS 32 -8.761 14.370 -6.909 240 HG3 LYS 32 HG1 LYS 32 -9.648 15.743 -7.559 241 HD2 LYS 32 HD2 LYS 32 -7.929 17.283 -6.714 242 HD3 LYS 32 HD1 LYS 32 -7.049 15.935 -5.993 243 HE2 LYS 32 HE2 LYS 32 -6.787 14.917 -8.200 244 HE3 LYS 32 HE1 LYS 32 -7.638 16.275 -8.943 245 HZ1 LYS 32 HZ1 LYS 32 -5.121 16.377 -8.944 246 HZ2 LYS 32 HZ2 LYS 32 -5.222 16.650 -7.269 247 HZ3 LYS 32 HZ3 LYS 32 -5.926 17.748 -8.358 248 H GLN 33 HN GLN 33 -8.909 16.884 -2.573 249 HA GLN 33 HA GLN 33 -11.123 15.856 -1.000 250 HB2 GLN 33 HB2 GLN 33 -9.930 15.723 1.098 251 HB3 GLN 33 HB1 GLN 33 -9.071 14.728 -0.074 252 HG2 GLN 33 HG2 GLN 33 -7.659 16.912 -0.493 253 HG3 GLN 33 HG1 GLN 33 -8.294 17.407 1.064 254 HE21 GLN 33 HE21 GLN 33 -7.212 16.656 2.898 255 HE22 GLN 33 HE22 GLN 33 -6.085 15.388 2.895 256 H ALA 34 HN ALA 34 -11.574 17.374 0.890 257 HA ALA 34 HA ALA 34 -11.529 20.103 -0.113 258 HB1 ALA 34 HB1 ALA 34 -13.672 19.539 0.668 259 HB2 ALA 34 HB2 ALA 34 -12.985 20.463 2.005 260 HB3 ALA 34 HB3 ALA 34 -13.035 18.700 2.082 261 H ASN 35 HN ASN 35 -11.348 21.813 1.743 262 HA ASN 35 HA ASN 35 -8.641 21.824 2.540 263 HB2 ASN 35 HB2 ASN 35 -10.953 23.546 3.429 264 HB3 ASN 35 HB1 ASN 35 -9.273 23.849 3.841 265 HD21 ASN 35 HD21 ASN 35 -8.993 25.784 2.598 266 HD22 ASN 35 HD22 ASN 35 -9.083 25.804 0.902 267 HA PRO 36 HA PRO 36 -8.761 19.657 6.400 268 HB2 PRO 36 HB2 PRO 36 -6.609 20.582 7.677 269 HB3 PRO 36 HB1 PRO 36 -6.459 19.683 6.149 270 HG2 PRO 36 HG2 PRO 36 -6.352 22.617 6.618 271 HG3 PRO 36 HG1 PRO 36 -5.319 21.602 5.602 272 HD2 PRO 36 HD2 PRO 36 -7.400 23.082 4.620 273 HD3 PRO 36 HD1 PRO 36 -6.807 21.601 3.845 274 H TYR 37 HN TYR 37 -8.916 23.127 6.432 275 HA TYR 37 HA TYR 37 -9.125 23.678 9.162 276 HB2 TYR 37 HB2 TYR 37 -8.801 25.403 7.447 277 HB3 TYR 37 HB1 TYR 37 -10.404 25.081 6.798 278 HD1 TYR 37 HD1 TYR 37 -8.578 26.276 9.830 279 HD2 TYR 37 HD2 TYR 37 -12.342 26.102 7.766 280 HE1 TYR 37 HE1 TYR 37 -9.542 27.891 11.447 281 HE2 TYR 37 HE2 TYR 37 -13.305 27.714 9.384 282 HH TYR 37 HH TYR 37 -11.876 28.461 12.304 283 H ARG 38 HN ARG 38 -11.688 23.029 6.790 284 HA ARG 38 HA ARG 38 -13.880 23.037 8.610 285 HB2 ARG 38 HB2 ARG 38 -14.034 23.184 6.102 286 HB3 ARG 38 HB1 ARG 38 -13.536 21.487 6.072 287 HG2 ARG 38 HG2 ARG 38 -15.523 20.802 7.276 288 HG3 ARG 38 HG1 ARG 38 -15.983 22.480 7.574 289 HD2 ARG 38 HD2 ARG 38 -16.283 22.842 5.166 290 HD3 ARG 38 HD1 ARG 38 -15.787 21.183 4.842 291 HE ARG 38 HE ARG 38 -17.914 21.018 6.628 292 HH11 ARG 38 HH11 ARG 38 -17.426 22.265 3.379 293 HH12 ARG 38 HH12 ARG 38 -19.063 21.977 2.892 294 HH21 ARG 38 HH21 ARG 38 -20.044 20.666 5.953 295 HH22 ARG 38 HH22 ARG 38 -20.533 21.077 4.343 296 H ARG 39 HN ARG 39 -11.855 20.493 7.247 297 HA ARG 39 HA ARG 39 -11.935 18.906 9.585 298 HB2 ARG 39 HB2 ARG 39 -14.245 18.640 8.770 299 HB3 ARG 39 HB1 ARG 39 -13.621 17.964 7.275 300 HG2 ARG 39 HG2 ARG 39 -12.542 16.123 8.524 301 HG3 ARG 39 HG1 ARG 39 -13.112 16.813 10.045 302 HD2 ARG 39 HD2 ARG 39 -14.621 15.029 9.406 303 HD3 ARG 39 HD1 ARG 39 -15.458 16.565 9.216 304 HE ARG 39 HE ARG 39 -14.200 15.829 6.768 305 HH11 ARG 39 HH11 ARG 39 -16.951 14.975 8.780 306 HH12 ARG 39 HH12 ARG 39 -17.893 14.383 7.451 307 HH21 ARG 39 HH21 ARG 39 -15.464 15.046 5.064 308 HH22 ARG 39 HH22 ARG 39 -17.053 14.424 5.362 309 H GLY 40 HN GLY 40 -10.391 17.282 9.496 310 HA2 GLY 40 HA2 GLY 40 -8.835 17.106 6.987 311 HA3 GLY 40 HA1 GLY 40 -8.177 16.853 8.601 312 H CYS 41 HN CYS 41 -8.339 15.148 6.083 313 HA CYS 41 HA CYS 41 -10.027 12.920 6.763 314 HB2 CYS 41 HB2 CYS 41 -8.748 11.779 4.870 315 HB3 CYS 41 HB1 CYS 41 -9.671 13.215 4.444 316 H GLY 42 HN GLY 42 -9.339 10.776 7.233 317 HA2 GLY 42 HA2 GLY 42 -6.646 10.433 8.351 318 HA3 GLY 42 HA1 GLY 42 -8.007 10.186 9.434 319 H VAL 43 HN VAL 43 -8.682 9.288 6.198 320 HA VAL 43 HA VAL 43 -9.109 6.561 6.808 321 HB VAL 43 HB VAL 43 -9.387 6.269 4.365 322 HG11 VAL 43 HG11 VAL 43 -11.200 7.186 5.844 323 HG12 VAL 43 HG12 VAL 43 -11.330 7.703 4.163 324 HG13 VAL 43 HG13 VAL 43 -10.690 8.809 5.378 325 HG21 VAL 43 HG21 VAL 43 -7.564 7.987 3.790 326 HG22 VAL 43 HG22 VAL 43 -8.768 9.230 4.125 327 HG23 VAL 43 HG23 VAL 43 -9.035 8.074 2.820 328 H LEU 44 HN LEU 44 -6.324 8.288 5.692 329 HA LEU 44 HA LEU 44 -4.132 7.730 5.444 330 HB2 LEU 44 HB2 LEU 44 -4.962 5.060 6.619 331 HB3 LEU 44 HB1 LEU 44 -3.302 5.558 6.327 332 HG LEU 44 HG LEU 44 -5.224 7.152 8.061 333 HD11 LEU 44 HD11 LEU 44 -4.075 6.147 9.983 334 HD12 LEU 44 HD12 LEU 44 -3.087 5.167 8.901 335 HD13 LEU 44 HD13 LEU 44 -4.825 4.887 9.002 336 HD21 LEU 44 HD21 LEU 44 -2.997 8.047 8.933 337 HD22 LEU 44 HD22 LEU 44 -3.372 8.499 7.270 338 HD23 LEU 44 HD23 LEU 44 -2.219 7.205 7.592 339 H GLU 45 HN GLU 45 -6.574 6.332 3.643 340 HA GLU 45 HA GLU 45 -5.136 4.526 1.970 341 HB2 GLU 45 HB2 GLU 45 -7.663 6.124 1.555 342 HB3 GLU 45 HB1 GLU 45 -7.035 4.981 0.368 343 HG2 GLU 45 HG2 GLU 45 -7.214 3.146 1.937 344 HG3 GLU 45 HG1 GLU 45 -7.625 4.244 3.249 345 H GLY 46 HN GLY 46 -5.712 7.970 1.943 346 HA2 GLY 46 HA2 GLY 46 -3.417 8.523 0.364 347 HA3 GLY 46 HA1 GLY 46 -4.903 8.756 -0.568 348 H CYS 47 HN CYS 47 -3.902 9.339 2.774 349 HA CYS 47 HA CYS 47 -4.663 12.178 2.509 350 HB2 CYS 47 HB2 CYS 47 -6.464 10.946 3.566 351 HB3 CYS 47 HB1 CYS 47 -5.344 10.269 4.745 352 H HIS 48 HN HIS 48 -2.950 13.418 2.946 353 HA HIS 48 HA HIS 48 -1.398 13.040 5.342 354 HB2 HIS 48 HB2 HIS 48 -0.284 11.455 3.761 355 HB3 HIS 48 HB1 HIS 48 0.049 12.811 2.686 356 HD2 HIS 48 HD2 HIS 48 2.429 14.099 3.274 357 HE1 HIS 48 HE1 HIS 48 2.942 12.647 7.204 358 HE2 HIS 48 HE2 HIS 48 3.994 14.045 5.363 359 H ARG 49 HN ARG 49 -1.918 15.100 5.951 360 HA ARG 49 HA ARG 49 -0.375 17.239 4.858 361 HB2 ARG 49 HB2 ARG 49 -2.344 17.084 3.246 362 HB3 ARG 49 HB1 ARG 49 -3.362 17.601 4.590 363 HG2 ARG 49 HG2 ARG 49 -1.979 19.633 4.857 364 HG3 ARG 49 HG1 ARG 49 -0.976 19.124 3.497 365 HD2 ARG 49 HD2 ARG 49 -3.058 19.106 2.075 366 HD3 ARG 49 HD1 ARG 49 -3.920 19.829 3.429 367 HE ARG 49 HE ARG 49 -2.027 21.151 1.669 368 HH11 ARG 49 HH11 ARG 49 -3.565 21.269 4.823 369 HH12 ARG 49 HH12 ARG 49 -3.327 22.973 5.010 370 HH21 ARG 49 HH21 ARG 49 -1.744 23.370 1.943 371 HH22 ARG 49 HH22 ARG 49 -2.300 24.157 3.383 372 H GLU 50 HN GLU 50 -0.166 18.922 6.321 373 HA GLU 50 HA GLU 50 -2.008 19.102 8.577 374 HB2 GLU 50 HB2 GLU 50 -0.206 18.951 10.260 375 HB3 GLU 50 HB1 GLU 50 -0.432 17.434 9.393 376 HG2 GLU 50 HG2 GLU 50 1.607 19.396 8.351 377 HG3 GLU 50 HG1 GLU 50 2.001 18.429 9.767 378 H THR 51 HN THR 51 -1.633 20.960 9.947 379 HA THR 51 HA THR 51 0.179 23.018 9.023 380 HB THR 51 HB THR 51 -1.733 23.338 7.513 381 HG1 THR 51 HG1 THR 51 -2.123 25.516 8.097 382 HG21 THR 51 HG21 THR 51 -3.952 23.792 8.288 383 HG22 THR 51 HG22 THR 51 -3.417 23.898 9.966 384 HG23 THR 51 HG23 THR 51 -3.423 22.340 9.138 385 H GLY 52 HN GLY 52 0.454 24.718 10.539 386 HA2 GLY 52 HA2 GLY 52 -0.958 24.450 13.110 387 HA3 GLY 52 HA1 GLY 52 0.795 24.353 13.094 388 HA PRO 53 HA PRO 53 -0.113 28.934 11.741 389 HB2 PRO 53 HB2 PRO 53 -2.669 29.824 11.729 390 HB3 PRO 53 HB1 PRO 53 -1.927 29.020 10.323 391 HG2 PRO 53 HG2 PRO 53 -3.714 27.859 12.416 392 HG3 PRO 53 HG1 PRO 53 -3.798 27.689 10.650 393 HD2 PRO 53 HD2 PRO 53 -2.711 25.767 12.196 394 HD3 PRO 53 HD1 PRO 53 -2.059 26.141 10.582 395 H LYS 54 HN LYS 54 -0.195 30.774 13.124 396 HA LYS 54 HA LYS 54 -1.405 30.384 15.789 397 HB2 LYS 54 HB2 LYS 54 1.030 29.875 15.867 398 HB3 LYS 54 HB1 LYS 54 1.380 31.508 15.332 399 HG2 LYS 54 HG2 LYS 54 0.092 32.374 17.294 400 HG3 LYS 54 HG1 LYS 54 -0.078 30.714 17.862 401 HD2 LYS 54 HD2 LYS 54 2.605 32.031 17.322 402 HD3 LYS 54 HD1 LYS 54 1.850 31.971 18.916 403 HE2 LYS 54 HE2 LYS 54 1.711 29.446 18.591 404 HE3 LYS 54 HE1 LYS 54 2.774 29.652 17.213 405 HZ1 LYS 54 HZ1 LYS 54 3.379 30.024 20.055 406 HZ2 LYS 54 HZ2 LYS 54 4.172 31.021 18.931 407 HZ3 LYS 54 HZ3 LYS 54 4.324 29.333 18.830 408 HA PRO 55 HA PRO 55 -2.714 34.511 14.018 409 HB2 PRO 55 HB2 PRO 55 -5.200 34.524 15.123 410 HB3 PRO 55 HB1 PRO 55 -4.833 33.697 13.592 411 HG2 PRO 55 HG2 PRO 55 -5.036 32.569 16.347 412 HG3 PRO 55 HG1 PRO 55 -5.731 31.967 14.833 413 HD2 PRO 55 HD2 PRO 55 -3.478 30.891 15.832 414 HD3 PRO 55 HD1 PRO 55 -3.700 31.098 14.076 415 H THR 56 HN THR 56 -2.688 33.129 17.227 416 HA THR 56 HA THR 56 -3.407 35.240 18.853 417 HB THR 56 HB THR 56 -1.164 33.318 19.483 418 HG1 THR 56 HG1 THR 56 -2.585 31.795 19.427 419 HG21 THR 56 HG21 THR 56 -1.835 33.633 21.753 420 HG22 THR 56 HG22 THR 56 -3.315 34.461 21.271 421 HG23 THR 56 HG23 THR 56 -1.752 35.246 21.045 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 -1.955 15.306 31.334 2 H2 GLU 1 HT2 GLU 1 -3.547 15.850 31.098 3 H3 GLU 1 HT3 GLU 1 -2.608 16.481 32.368 4 HA GLU 1 HA GLU 1 -1.139 17.563 30.862 5 HB2 GLU 1 HB2 GLU 1 -1.539 17.426 28.408 6 HB3 GLU 1 HB1 GLU 1 -1.130 15.856 29.095 7 HG2 GLU 1 HG2 GLU 1 -3.586 15.324 29.214 8 HG3 GLU 1 HG1 GLU 1 -3.919 16.844 28.392 9 H ALA 2 HN ALA 2 -1.839 19.436 29.300 10 HA ALA 2 HA ALA 2 -3.769 20.996 30.646 11 HB1 ALA 2 HB1 ALA 2 -2.423 21.326 27.966 12 HB2 ALA 2 HB2 ALA 2 -2.015 22.121 29.486 13 HB3 ALA 2 HB3 ALA 2 -3.513 22.531 28.650 14 H SER 3 HN SER 3 -5.856 21.555 30.185 15 HA SER 3 HA SER 3 -7.501 19.653 28.890 16 HB2 SER 3 HB2 SER 3 -8.094 22.488 29.761 17 HB3 SER 3 HB1 SER 3 -9.307 21.333 29.224 18 HG SER 3 HG SER 3 -9.273 20.924 31.326 19 H VAL 4 HN VAL 4 -8.438 19.592 26.908 20 HA VAL 4 HA VAL 4 -7.779 21.746 24.989 21 HB VAL 4 HB VAL 4 -7.726 18.753 24.437 22 HG11 VAL 4 HG11 VAL 4 -7.032 21.065 22.590 23 HG12 VAL 4 HG12 VAL 4 -8.534 20.147 22.515 24 HG13 VAL 4 HG13 VAL 4 -6.998 19.348 22.186 25 HG21 VAL 4 HG21 VAL 4 -5.740 19.407 25.658 26 HG22 VAL 4 HG22 VAL 4 -5.532 20.841 24.655 27 HG23 VAL 4 HG23 VAL 4 -5.282 19.238 23.963 28 H ARG 5 HN ARG 5 -9.488 22.562 23.945 29 HA ARG 5 HA ARG 5 -12.076 21.150 24.161 30 HB2 ARG 5 HB2 ARG 5 -11.541 24.075 23.595 31 HB3 ARG 5 HB1 ARG 5 -13.129 23.332 23.776 32 HG2 ARG 5 HG2 ARG 5 -11.045 23.144 25.962 33 HG3 ARG 5 HG1 ARG 5 -12.128 24.528 25.838 34 HD2 ARG 5 HD2 ARG 5 -13.312 23.120 27.281 35 HD3 ARG 5 HD1 ARG 5 -14.029 22.717 25.726 36 HE ARG 5 HE ARG 5 -11.777 21.035 26.331 37 HH11 ARG 5 HH11 ARG 5 -15.193 21.485 27.036 38 HH12 ARG 5 HH12 ARG 5 -15.450 19.820 27.440 39 HH21 ARG 5 HH21 ARG 5 -12.161 18.874 26.876 40 HH22 ARG 5 HH22 ARG 5 -13.745 18.354 27.349 41 H TYR 6 HN TYR 6 -12.457 19.959 22.444 42 HA TYR 6 HA TYR 6 -12.976 21.077 19.912 43 HB2 TYR 6 HB2 TYR 6 -10.455 21.135 19.852 44 HB3 TYR 6 HB1 TYR 6 -10.469 19.374 19.923 45 HD1 TYR 6 HD1 TYR 6 -11.543 22.320 17.927 46 HD2 TYR 6 HD2 TYR 6 -11.010 18.060 17.988 47 HE1 TYR 6 HE1 TYR 6 -11.917 22.239 15.478 48 HE2 TYR 6 HE2 TYR 6 -11.384 17.976 15.539 49 HH TYR 6 HH TYR 6 -12.824 19.961 13.832 50 H ILE 7 HN ILE 7 -14.853 19.877 20.582 51 HA ILE 7 HA ILE 7 -14.671 16.989 19.929 52 HB ILE 7 HB ILE 7 -16.605 18.214 21.932 53 HG12 ILE 7 HG12 ILE 7 -15.061 16.599 23.486 54 HG13 ILE 7 HG11 ILE 7 -13.850 16.990 22.263 55 HG21 ILE 7 HG21 ILE 7 -16.065 15.405 20.961 56 HG22 ILE 7 HG22 ILE 7 -17.601 16.267 21.032 57 HG23 ILE 7 HG23 ILE 7 -16.838 15.706 22.518 58 HD11 ILE 7 HD11 ILE 7 -14.723 19.489 22.732 59 HD12 ILE 7 HD12 ILE 7 -13.502 18.730 23.749 60 HD13 ILE 7 HD13 ILE 7 -15.182 18.764 24.271 61 H THR 8 HN THR 8 -15.762 16.449 18.175 62 HA THR 8 HA THR 8 -18.242 17.892 17.500 63 HB THR 8 HB THR 8 -17.613 17.905 15.116 64 HG1 THR 8 HG1 THR 8 -16.153 16.334 14.881 65 HG21 THR 8 HG21 THR 8 -15.691 19.257 17.022 66 HG22 THR 8 HG22 THR 8 -17.177 19.927 16.349 67 HG23 THR 8 HG23 THR 8 -15.788 19.635 15.302 68 H TYR 9 HN TYR 9 -19.649 16.715 16.015 69 HA TYR 9 HA TYR 9 -20.034 14.054 16.813 70 HB2 TYR 9 HB2 TYR 9 -21.801 15.596 15.963 71 HB3 TYR 9 HB1 TYR 9 -21.163 15.369 14.332 72 HD1 TYR 9 HD1 TYR 9 -22.794 13.696 17.209 73 HD2 TYR 9 HD2 TYR 9 -21.542 13.315 13.117 74 HE1 TYR 9 HE1 TYR 9 -24.119 11.609 17.000 75 HE2 TYR 9 HE2 TYR 9 -22.868 11.227 12.907 76 HH TYR 9 HH TYR 9 -25.179 10.279 15.213 77 HA PRO 10 HA PRO 10 -17.077 12.018 14.068 78 HB2 PRO 10 HB2 PRO 10 -17.923 9.448 14.214 79 HB3 PRO 10 HB1 PRO 10 -17.088 10.262 15.556 80 HG2 PRO 10 HG2 PRO 10 -20.011 9.793 15.165 81 HG3 PRO 10 HG1 PRO 10 -19.023 9.590 16.625 82 HD2 PRO 10 HD2 PRO 10 -20.570 11.780 16.238 83 HD3 PRO 10 HD1 PRO 10 -19.028 11.866 17.117 84 H ALA 11 HN ALA 11 -16.905 11.114 11.968 85 HA ALA 11 HA ALA 11 -19.390 11.120 10.373 86 HB1 ALA 11 HB1 ALA 11 -18.178 11.980 8.536 87 HB2 ALA 11 HB2 ALA 11 -16.623 11.604 9.278 88 HB3 ALA 11 HB3 ALA 11 -17.612 12.916 9.920 89 H ILE 12 HN ILE 12 -19.825 9.422 9.092 90 HA ILE 12 HA ILE 12 -18.707 6.897 9.650 91 HB ILE 12 HB ILE 12 -20.481 7.834 7.360 92 HG12 ILE 12 HG12 ILE 12 -21.181 6.180 9.807 93 HG13 ILE 12 HG11 ILE 12 -21.274 7.943 9.806 94 HG21 ILE 12 HG21 ILE 12 -19.321 5.744 6.696 95 HG22 ILE 12 HG22 ILE 12 -21.020 5.414 7.040 96 HG23 ILE 12 HG23 ILE 12 -19.784 4.992 8.224 97 HD11 ILE 12 HD11 ILE 12 -22.789 7.763 7.779 98 HD12 ILE 12 HD12 ILE 12 -23.476 7.115 9.268 99 HD13 ILE 12 HD13 ILE 12 -22.826 6.019 8.047 100 H ASP 13 HN ASP 13 -18.295 9.047 6.854 101 HA ASP 13 HA ASP 13 -15.582 8.435 6.434 102 HB2 ASP 13 HB2 ASP 13 -15.727 7.138 4.316 103 HB3 ASP 13 HB1 ASP 13 -16.301 6.233 5.710 104 H ARG 14 HN ARG 14 -18.628 9.441 4.996 105 HA ARG 14 HA ARG 14 -19.180 11.075 3.482 106 HB2 ARG 14 HB2 ARG 14 -16.905 12.418 4.965 107 HB3 ARG 14 HB1 ARG 14 -18.045 13.255 3.906 108 HG2 ARG 14 HG2 ARG 14 -19.922 12.504 5.311 109 HG3 ARG 14 HG1 ARG 14 -18.798 11.648 6.367 110 HD2 ARG 14 HD2 ARG 14 -19.343 13.796 7.366 111 HD3 ARG 14 HD1 ARG 14 -17.659 13.811 6.847 112 HE ARG 14 HE ARG 14 -18.202 15.429 5.258 113 HH11 ARG 14 HH11 ARG 14 -21.169 14.036 6.531 114 HH12 ARG 14 HH12 ARG 14 -22.190 15.212 5.767 115 HH21 ARG 14 HH21 ARG 14 -19.570 16.944 4.287 116 HH22 ARG 14 HH22 ARG 14 -21.286 16.848 4.505 117 H GLY 15 HN GLY 15 -18.002 12.869 1.936 118 HA2 GLY 15 HA2 GLY 15 -16.382 13.300 0.277 119 HA3 GLY 15 HA1 GLY 15 -15.701 11.700 0.550 120 H ASP 16 HN ASP 16 -16.262 12.779 -2.001 121 HA ASP 16 HA ASP 16 -18.614 11.264 -2.931 122 HB2 ASP 16 HB2 ASP 16 -16.990 13.471 -4.208 123 HB3 ASP 16 HB1 ASP 16 -18.211 12.550 -5.079 124 H HIS 17 HN HIS 17 -18.430 9.582 -4.338 125 HA HIS 17 HA HIS 17 -15.997 8.150 -4.496 126 HB2 HIS 17 HB2 HIS 17 -18.597 7.885 -6.015 127 HB3 HIS 17 HB1 HIS 17 -17.245 6.780 -6.237 128 HD2 HIS 17 HD2 HIS 17 -16.864 7.119 -2.629 129 HE1 HIS 17 HE1 HIS 17 -20.169 4.510 -2.897 130 HE2 HIS 17 HE2 HIS 17 -18.371 5.417 -1.353 131 H ALA 18 HN ALA 18 -17.660 10.274 -6.791 132 HA ALA 18 HA ALA 18 -15.827 9.851 -8.943 133 HB1 ALA 18 HB1 ALA 18 -16.963 11.691 -10.029 134 HB2 ALA 18 HB2 ALA 18 -17.694 12.190 -8.503 135 HB3 ALA 18 HB3 ALA 18 -18.163 10.662 -9.247 136 H VAL 19 HN VAL 19 -14.088 11.039 -9.599 137 HA VAL 19 HA VAL 19 -13.278 13.382 -8.046 138 HB VAL 19 HB VAL 19 -12.204 11.443 -6.929 139 HG11 VAL 19 HG11 VAL 19 -10.667 10.001 -8.034 140 HG12 VAL 19 HG12 VAL 19 -10.666 10.994 -9.491 141 HG13 VAL 19 HG13 VAL 19 -12.098 10.056 -9.064 142 HG21 VAL 19 HG21 VAL 19 -10.096 12.974 -8.473 143 HG22 VAL 19 HG22 VAL 19 -10.014 12.379 -6.815 144 HG23 VAL 19 HG23 VAL 19 -11.069 13.734 -7.213 145 H HIS 20 HN HIS 20 -11.990 14.841 -9.175 146 HA HIS 20 HA HIS 20 -11.676 14.267 -12.067 147 HB2 HIS 20 HB2 HIS 20 -12.235 16.918 -10.712 148 HB3 HIS 20 HB1 HIS 20 -11.957 16.698 -12.439 149 HD2 HIS 20 HD2 HIS 20 -14.895 16.631 -10.007 150 HE1 HIS 20 HE1 HIS 20 -16.209 14.556 -13.439 151 HE2 HIS 20 HE2 HIS 20 -16.949 15.614 -11.253 152 H CYS 21 HN CYS 21 -9.765 14.529 -13.004 153 HA CYS 21 HA CYS 21 -7.424 14.921 -11.385 154 HB2 CYS 21 HB2 CYS 21 -7.816 14.488 -14.347 155 HB3 CYS 21 HB1 CYS 21 -6.234 14.664 -13.593 156 H ASP 22 HN ASP 22 -5.737 16.506 -11.782 157 HA ASP 22 HA ASP 22 -6.731 19.171 -11.961 158 HB2 ASP 22 HB2 ASP 22 -4.679 18.317 -10.662 159 HB3 ASP 22 HB1 ASP 22 -3.841 18.340 -12.210 160 H LYS 23 HN LYS 23 -6.828 20.527 -13.591 161 HA LYS 23 HA LYS 23 -6.605 19.618 -16.287 162 HB2 LYS 23 HB2 LYS 23 -7.015 22.343 -15.059 163 HB3 LYS 23 HB1 LYS 23 -7.092 22.034 -16.795 164 HG2 LYS 23 HG2 LYS 23 -9.050 20.771 -16.647 165 HG3 LYS 23 HG1 LYS 23 -8.769 20.298 -14.974 166 HD2 LYS 23 HD2 LYS 23 -9.254 22.554 -14.219 167 HD3 LYS 23 HD1 LYS 23 -9.513 23.093 -15.887 168 HE2 LYS 23 HE2 LYS 23 -11.398 21.558 -16.121 169 HE3 LYS 23 HE1 LYS 23 -11.095 20.895 -14.515 170 HZ1 LYS 23 HZ1 LYS 23 -12.867 22.740 -14.841 171 HZ2 LYS 23 HZ2 LYS 23 -11.526 23.786 -14.826 172 HZ3 LYS 23 HZ3 LYS 23 -11.845 22.786 -13.491 173 H ALA 24 HN ALA 24 -4.412 21.130 -14.091 174 HA ALA 24 HA ALA 24 -2.506 21.837 -16.222 175 HB1 ALA 24 HB1 ALA 24 -3.109 23.406 -14.231 176 HB2 ALA 24 HB2 ALA 24 -1.416 23.229 -14.695 177 HB3 ALA 24 HB3 ALA 24 -2.044 22.354 -13.300 178 H HIS 25 HN HIS 25 -3.089 19.606 -13.618 179 HA HIS 25 HA HIS 25 -0.636 18.139 -14.328 180 HB2 HIS 25 HB2 HIS 25 -1.790 18.623 -11.573 181 HB3 HIS 25 HB1 HIS 25 -0.562 17.409 -11.906 182 HD2 HIS 25 HD2 HIS 25 -0.796 21.178 -11.190 183 HE1 HIS 25 HE1 HIS 25 3.111 20.494 -12.634 184 HE2 HIS 25 HE2 HIS 25 1.585 22.194 -11.524 185 HA PRO 26 HA PRO 26 -4.660 15.578 -14.507 186 HB2 PRO 26 HB2 PRO 26 -4.702 15.022 -17.159 187 HB3 PRO 26 HB1 PRO 26 -5.446 16.481 -16.470 188 HG2 PRO 26 HG2 PRO 26 -2.794 16.169 -17.783 189 HG3 PRO 26 HG1 PRO 26 -4.030 17.418 -18.035 190 HD2 PRO 26 HD2 PRO 26 -1.884 17.883 -16.473 191 HD3 PRO 26 HD1 PRO 26 -3.480 18.561 -16.086 192 H ASN 27 HN ASN 27 -1.506 15.323 -15.920 193 HA ASN 27 HA ASN 27 -1.449 12.500 -16.335 194 HB2 ASN 27 HB2 ASN 27 0.721 14.587 -16.163 195 HB3 ASN 27 HB1 ASN 27 1.061 12.885 -16.453 196 HD21 ASN 27 HD21 ASN 27 1.615 14.993 -18.383 197 HD22 ASN 27 HD22 ASN 27 0.637 14.711 -19.742 198 H THR 28 HN THR 28 -0.824 14.551 -13.552 199 HA THR 28 HA THR 28 0.219 12.208 -12.064 200 HB THR 28 HB THR 28 1.321 13.834 -10.564 201 HG1 THR 28 HG1 THR 28 1.190 15.955 -10.975 202 HG21 THR 28 HG21 THR 28 1.950 14.158 -13.509 203 HG22 THR 28 HG22 THR 28 2.559 12.883 -12.454 204 HG23 THR 28 HG23 THR 28 3.043 14.559 -12.184 205 H CYS 29 HN CYS 29 -2.680 13.357 -12.438 206 HA CYS 29 HA CYS 29 -3.508 14.254 -9.881 207 HB2 CYS 29 HB2 CYS 29 -5.776 13.858 -10.628 208 HB3 CYS 29 HB1 CYS 29 -4.857 14.546 -11.964 209 H LYS 30 HN LYS 30 -4.888 13.075 -8.350 210 HA LYS 30 HA LYS 30 -4.077 10.231 -8.117 211 HB2 LYS 30 HB2 LYS 30 -4.610 12.211 -5.883 212 HB3 LYS 30 HB1 LYS 30 -4.159 10.524 -5.675 213 HG2 LYS 30 HG2 LYS 30 -2.441 12.517 -7.180 214 HG3 LYS 30 HG1 LYS 30 -2.242 12.195 -5.460 215 HD2 LYS 30 HD2 LYS 30 -2.107 10.012 -7.576 216 HD3 LYS 30 HD1 LYS 30 -0.693 10.881 -6.994 217 HE2 LYS 30 HE2 LYS 30 -1.224 10.163 -4.673 218 HE3 LYS 30 HE1 LYS 30 -2.581 9.226 -5.294 219 HZ1 LYS 30 HZ1 LYS 30 -0.927 7.665 -5.236 220 HZ2 LYS 30 HZ2 LYS 30 0.297 8.772 -5.639 221 HZ3 LYS 30 HZ3 LYS 30 -0.779 8.217 -6.832 222 H LYS 31 HN LYS 31 -5.572 8.724 -7.675 223 HA LYS 31 HA LYS 31 -8.392 9.470 -7.887 224 HB2 LYS 31 HB2 LYS 31 -7.061 6.755 -7.765 225 HB3 LYS 31 HB1 LYS 31 -8.768 7.050 -8.070 226 HG2 LYS 31 HG2 LYS 31 -6.552 8.157 -9.812 227 HG3 LYS 31 HG1 LYS 31 -7.386 6.644 -10.155 228 HD2 LYS 31 HD2 LYS 31 -9.549 7.879 -10.229 229 HD3 LYS 31 HD1 LYS 31 -8.678 9.389 -9.958 230 HE2 LYS 31 HE2 LYS 31 -7.385 9.017 -12.014 231 HE3 LYS 31 HE1 LYS 31 -8.260 7.514 -12.299 232 HZ1 LYS 31 HZ1 LYS 31 -9.436 10.238 -12.170 233 HZ2 LYS 31 HZ2 LYS 31 -10.326 8.802 -12.345 234 HZ3 LYS 31 HZ3 LYS 31 -9.247 9.292 -13.563 235 H LYS 32 HN LYS 32 -6.202 7.891 -5.625 236 HA LYS 32 HA LYS 32 -8.132 8.427 -3.461 237 HB2 LYS 32 HB2 LYS 32 -6.724 5.765 -3.850 238 HB3 LYS 32 HB1 LYS 32 -7.832 6.181 -2.546 239 HG2 LYS 32 HG2 LYS 32 -8.638 6.245 -5.469 240 HG3 LYS 32 HG1 LYS 32 -8.894 4.846 -4.434 241 HD2 LYS 32 HD2 LYS 32 -10.302 6.178 -2.927 242 HD3 LYS 32 HD1 LYS 32 -10.004 7.626 -3.885 243 HE2 LYS 32 HE2 LYS 32 -11.037 6.569 -5.832 244 HE3 LYS 32 HE1 LYS 32 -11.353 5.108 -4.889 245 HZ1 LYS 32 HZ1 LYS 32 -12.620 7.750 -4.720 246 HZ2 LYS 32 HZ2 LYS 32 -12.484 6.831 -3.297 247 HZ3 LYS 32 HZ3 LYS 32 -13.324 6.210 -4.638 248 H GLN 33 HN GLN 33 -7.227 8.734 -1.427 249 HA GLN 33 HA GLN 33 -4.406 8.413 -0.985 250 HB2 GLN 33 HB2 GLN 33 -3.862 10.772 -0.647 251 HB3 GLN 33 HB1 GLN 33 -4.439 10.527 -2.293 252 HG2 GLN 33 HG2 GLN 33 -6.761 11.182 -1.388 253 HG3 GLN 33 HG1 GLN 33 -5.920 11.739 0.045 254 HE21 GLN 33 HE21 GLN 33 -7.173 12.980 -2.719 255 HE22 GLN 33 HE22 GLN 33 -6.089 14.259 -2.990 256 H ALA 34 HN ALA 34 -3.834 9.584 1.195 257 HA ALA 34 HA ALA 34 -6.057 9.091 3.077 258 HB1 ALA 34 HB1 ALA 34 -4.150 7.490 3.280 259 HB2 ALA 34 HB2 ALA 34 -4.406 8.445 4.740 260 HB3 ALA 34 HB3 ALA 34 -3.090 8.853 3.639 261 H ASN 35 HN ASN 35 -6.699 10.713 4.337 262 HA ASN 35 HA ASN 35 -5.611 13.339 3.975 263 HB2 ASN 35 HB2 ASN 35 -7.336 14.031 5.590 264 HB3 ASN 35 HB1 ASN 35 -7.990 13.044 4.297 265 HD21 ASN 35 HD21 ASN 35 -9.773 12.201 5.569 266 HD22 ASN 35 HD22 ASN 35 -9.531 11.162 6.887 267 HA PRO 36 HA PRO 36 -2.784 13.505 7.363 268 HB2 PRO 36 HB2 PRO 36 -2.642 16.109 7.924 269 HB3 PRO 36 HB1 PRO 36 -2.124 15.476 6.345 270 HG2 PRO 36 HG2 PRO 36 -4.648 16.858 7.085 271 HG3 PRO 36 HG1 PRO 36 -3.649 17.037 5.633 272 HD2 PRO 36 HD2 PRO 36 -5.944 15.524 5.777 273 HD3 PRO 36 HD1 PRO 36 -4.680 15.275 4.562 274 H TYR 37 HN TYR 37 -6.003 14.657 7.878 275 HA TYR 37 HA TYR 37 -5.709 14.971 10.760 276 HB2 TYR 37 HB2 TYR 37 -7.106 16.533 9.452 277 HB3 TYR 37 HB1 TYR 37 -8.133 15.191 8.963 278 HD1 TYR 37 HD1 TYR 37 -6.890 17.055 11.959 279 HD2 TYR 37 HD2 TYR 37 -9.916 14.455 10.364 280 HE1 TYR 37 HE1 TYR 37 -8.222 17.328 14.034 281 HE2 TYR 37 HE2 TYR 37 -11.246 14.727 12.438 282 HH TYR 37 HH TYR 37 -10.745 15.325 14.877 283 H ARG 38 HN ARG 38 -5.857 13.272 12.092 284 HA ARG 38 HA ARG 38 -7.726 11.094 11.489 285 HB2 ARG 38 HB2 ARG 38 -5.399 10.442 10.838 286 HB3 ARG 38 HB1 ARG 38 -4.917 10.726 12.503 287 HG2 ARG 38 HG2 ARG 38 -5.283 8.411 12.353 288 HG3 ARG 38 HG1 ARG 38 -6.700 9.044 13.182 289 HD2 ARG 38 HD2 ARG 38 -7.918 9.087 11.047 290 HD3 ARG 38 HD1 ARG 38 -6.519 8.416 10.223 291 HE ARG 38 HE ARG 38 -7.178 6.686 12.347 292 HH11 ARG 38 HH11 ARG 38 -8.571 7.731 9.294 293 HH12 ARG 38 HH12 ARG 38 -9.442 6.258 9.047 294 HH21 ARG 38 HH21 ARG 38 -8.335 4.775 11.982 295 HH22 ARG 38 HH22 ARG 38 -9.310 4.595 10.562 296 H ARG 39 HN ARG 39 -8.725 10.240 13.245 297 HA ARG 39 HA ARG 39 -7.987 11.296 15.896 298 HB2 ARG 39 HB2 ARG 39 -9.951 12.512 14.892 299 HB3 ARG 39 HB1 ARG 39 -10.830 10.984 14.933 300 HG2 ARG 39 HG2 ARG 39 -10.469 10.837 17.375 301 HG3 ARG 39 HG1 ARG 39 -9.624 12.386 17.339 302 HD2 ARG 39 HD2 ARG 39 -11.911 12.808 18.001 303 HD3 ARG 39 HD1 ARG 39 -11.693 13.420 16.364 304 HE ARG 39 HE ARG 39 -13.160 11.777 15.591 305 HH11 ARG 39 HH11 ARG 39 -12.290 11.070 18.922 306 HH12 ARG 39 HH12 ARG 39 -13.480 9.823 19.094 307 HH21 ARG 39 HH21 ARG 39 -14.694 10.144 15.857 308 HH22 ARG 39 HH22 ARG 39 -14.832 9.310 17.367 309 H GLY 40 HN GLY 40 -9.810 8.845 14.097 310 HA2 GLY 40 HA2 GLY 40 -10.159 7.104 16.320 311 HA3 GLY 40 HA1 GLY 40 -10.414 6.682 14.630 312 H CYS 41 HN CYS 41 -9.133 5.102 16.748 313 HA CYS 41 HA CYS 41 -6.298 5.102 16.296 314 HB2 CYS 41 HB2 CYS 41 -6.261 3.109 17.693 315 HB3 CYS 41 HB1 CYS 41 -7.310 4.322 18.421 316 H GLY 42 HN GLY 42 -5.062 3.454 15.301 317 HA2 GLY 42 HA2 GLY 42 -6.435 1.619 13.472 318 HA3 GLY 42 HA1 GLY 42 -5.341 2.797 12.761 319 H VAL 43 HN VAL 43 -4.154 1.982 15.795 320 HA VAL 43 HA VAL 43 -1.890 0.605 14.789 321 HB VAL 43 HB VAL 43 -1.339 0.210 17.182 322 HG11 VAL 43 HG11 VAL 43 -2.270 3.009 16.488 323 HG12 VAL 43 HG12 VAL 43 -0.707 2.307 16.071 324 HG13 VAL 43 HG13 VAL 43 -1.118 2.604 17.760 325 HG21 VAL 43 HG21 VAL 43 -3.874 1.758 17.791 326 HG22 VAL 43 HG22 VAL 43 -2.787 0.983 18.941 327 HG23 VAL 43 HG23 VAL 43 -3.796 -0.002 17.883 328 H LEU 44 HN LEU 44 -4.963 -0.478 16.014 329 HA LEU 44 HA LEU 44 -5.948 -2.541 16.181 330 HB2 LEU 44 HB2 LEU 44 -3.794 -3.238 14.172 331 HB3 LEU 44 HB1 LEU 44 -5.148 -4.287 14.583 332 HG LEU 44 HG LEU 44 -5.505 -1.448 13.568 333 HD11 LEU 44 HD11 LEU 44 -5.965 -2.420 11.379 334 HD12 LEU 44 HD12 LEU 44 -5.715 -4.046 12.011 335 HD13 LEU 44 HD13 LEU 44 -4.358 -2.926 11.898 336 HD21 LEU 44 HD21 LEU 44 -7.470 -2.250 14.732 337 HD22 LEU 44 HD22 LEU 44 -7.359 -3.829 13.953 338 HD23 LEU 44 HD23 LEU 44 -7.808 -2.409 13.009 339 H GLU 45 HN GLU 45 -3.282 -1.858 17.748 340 HA GLU 45 HA GLU 45 -2.065 -4.328 18.433 341 HB2 GLU 45 HB2 GLU 45 -2.290 -1.698 19.901 342 HB3 GLU 45 HB1 GLU 45 -1.338 -3.058 20.496 343 HG2 GLU 45 HG2 GLU 45 0.063 -3.036 18.522 344 HG3 GLU 45 HG1 GLU 45 -0.965 -1.835 17.748 345 H GLY 46 HN GLY 46 -4.837 -2.568 19.648 346 HA2 GLY 46 HA2 GLY 46 -6.375 -4.628 20.512 347 HA3 GLY 46 HA1 GLY 46 -5.356 -4.266 21.913 348 H CYS 47 HN CYS 47 -6.703 -2.129 19.449 349 HA CYS 47 HA CYS 47 -7.477 -0.102 21.240 350 HB2 CYS 47 HB2 CYS 47 -7.033 -0.036 18.710 351 HB3 CYS 47 HB1 CYS 47 -8.704 -0.571 18.539 352 H HIS 48 HN HIS 48 -9.569 -2.263 19.330 353 HA HIS 48 HA HIS 48 -11.716 -3.011 19.681 354 HB2 HIS 48 HB2 HIS 48 -10.545 -3.161 22.457 355 HB3 HIS 48 HB1 HIS 48 -12.072 -3.896 21.997 356 HD2 HIS 48 HD2 HIS 48 -8.349 -4.764 21.925 357 HE1 HIS 48 HE1 HIS 48 -10.201 -7.419 19.214 358 HE2 HIS 48 HE2 HIS 48 -8.054 -6.914 20.473 359 H ARG 49 HN ARG 49 -13.724 -2.783 21.222 360 HA ARG 49 HA ARG 49 -14.583 -0.074 21.177 361 HB2 ARG 49 HB2 ARG 49 -16.139 -2.014 21.017 362 HB3 ARG 49 HB1 ARG 49 -15.773 -2.426 22.690 363 HG2 ARG 49 HG2 ARG 49 -16.684 -0.286 23.457 364 HG3 ARG 49 HG1 ARG 49 -16.972 0.218 21.791 365 HD2 ARG 49 HD2 ARG 49 -18.552 -1.634 21.482 366 HD3 ARG 49 HD1 ARG 49 -18.238 -2.193 23.121 367 HE ARG 49 HE ARG 49 -19.599 -0.478 23.931 368 HH11 ARG 49 HH11 ARG 49 -18.919 0.106 20.535 369 HH12 ARG 49 HH12 ARG 49 -20.078 1.386 20.398 370 HH21 ARG 49 HH21 ARG 49 -21.106 1.196 23.707 371 HH22 ARG 49 HH22 ARG 49 -21.307 1.998 22.185 372 H GLU 50 HN GLU 50 -13.526 -2.254 23.759 373 HA GLU 50 HA GLU 50 -12.122 -0.464 25.314 374 HB2 GLU 50 HB2 GLU 50 -15.032 -0.192 25.717 375 HB3 GLU 50 HB1 GLU 50 -14.206 -0.587 27.215 376 HG2 GLU 50 HG2 GLU 50 -13.216 1.644 25.419 377 HG3 GLU 50 HG1 GLU 50 -14.452 1.919 26.643 378 H THR 51 HN THR 51 -10.890 -2.383 25.378 379 HA THR 51 HA THR 51 -10.070 -4.292 26.332 380 HB THR 51 HB THR 51 -12.225 -3.962 28.438 381 HG1 THR 51 HG1 THR 51 -10.712 -2.692 29.510 382 HG21 THR 51 HG21 THR 51 -10.881 -6.107 28.321 383 HG22 THR 51 HG22 THR 51 -10.738 -5.225 29.842 384 HG23 THR 51 HG23 THR 51 -9.443 -5.140 28.648 385 H GLY 52 HN GLY 52 -10.463 -5.911 24.942 386 HA2 GLY 52 HA2 GLY 52 -13.090 -7.233 25.084 387 HA3 GLY 52 HA1 GLY 52 -12.189 -7.066 23.583 388 HA PRO 53 HA PRO 53 -10.554 -10.747 26.274 389 HB2 PRO 53 HB2 PRO 53 -12.267 -12.813 25.975 390 HB3 PRO 53 HB1 PRO 53 -12.469 -11.597 27.258 391 HG2 PRO 53 HG2 PRO 53 -13.842 -11.784 24.616 392 HG3 PRO 53 HG1 PRO 53 -14.530 -11.461 26.219 393 HD2 PRO 53 HD2 PRO 53 -14.005 -9.462 24.452 394 HD3 PRO 53 HD1 PRO 53 -13.878 -9.231 26.212 395 H LYS 54 HN LYS 54 -9.465 -12.624 25.391 396 HA LYS 54 HA LYS 54 -9.804 -13.061 22.502 397 HB2 LYS 54 HB2 LYS 54 -7.303 -13.276 22.308 398 HB3 LYS 54 HB1 LYS 54 -7.930 -11.648 22.530 399 HG2 LYS 54 HG2 LYS 54 -7.275 -11.626 24.852 400 HG3 LYS 54 HG1 LYS 54 -6.889 -13.345 24.831 401 HD2 LYS 54 HD2 LYS 54 -4.806 -12.058 24.685 402 HD3 LYS 54 HD1 LYS 54 -5.082 -12.877 23.148 403 HE2 LYS 54 HE2 LYS 54 -6.044 -10.827 22.212 404 HE3 LYS 54 HE1 LYS 54 -5.782 -9.976 23.738 405 HZ1 LYS 54 HZ1 LYS 54 -3.507 -9.974 23.456 406 HZ2 LYS 54 HZ2 LYS 54 -4.027 -9.797 21.849 407 HZ3 LYS 54 HZ3 LYS 54 -3.514 -11.313 22.416 408 HA PRO 55 HA PRO 55 -9.893 -17.155 24.712 409 HB2 PRO 55 HB2 PRO 55 -11.688 -18.315 23.011 410 HB3 PRO 55 HB1 PRO 55 -12.175 -17.320 24.402 411 HG2 PRO 55 HG2 PRO 55 -11.905 -16.546 21.531 412 HG3 PRO 55 HG1 PRO 55 -13.233 -16.226 22.660 413 HD2 PRO 55 HD2 PRO 55 -11.425 -14.330 22.138 414 HD3 PRO 55 HD1 PRO 55 -12.053 -14.548 23.792 415 H THR 56 HN THR 56 -9.101 -16.030 21.534 416 HA THR 56 HA THR 56 -8.578 -18.312 20.085 417 HB THR 56 HB THR 56 -8.436 -16.067 19.119 418 HG1 THR 56 HG1 THR 56 -5.913 -17.343 18.965 419 HG21 THR 56 HG21 THR 56 -6.515 -14.612 19.543 420 HG22 THR 56 HG22 THR 56 -5.854 -15.785 20.683 421 HG23 THR 56 HG23 THR 56 -7.362 -14.949 21.053 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 2.803 -18.239 -32.144 2 H2 GLU 1 HT2 GLU 1 3.345 -19.827 -31.875 3 H3 GLU 1 HT3 GLU 1 2.853 -19.346 -33.428 4 HA GLU 1 HA GLU 1 5.393 -19.448 -32.681 5 HB2 GLU 1 HB2 GLU 1 4.027 -17.497 -34.557 6 HB3 GLU 1 HB1 GLU 1 5.779 -17.700 -34.493 7 HG2 GLU 1 HG2 GLU 1 5.597 -20.041 -35.101 8 HG3 GLU 1 HG1 GLU 1 3.845 -19.986 -34.972 9 H ALA 2 HN ALA 2 6.948 -17.405 -32.753 10 HA ALA 2 HA ALA 2 6.738 -16.111 -30.241 11 HB1 ALA 2 HB1 ALA 2 8.860 -16.634 -31.555 12 HB2 ALA 2 HB2 ALA 2 8.787 -15.051 -30.782 13 HB3 ALA 2 HB3 ALA 2 8.495 -15.200 -32.515 14 H SER 3 HN SER 3 6.298 -13.980 -29.694 15 HA SER 3 HA SER 3 5.195 -11.973 -29.767 16 HB2 SER 3 HB2 SER 3 7.019 -11.560 -31.498 17 HB3 SER 3 HB1 SER 3 5.808 -11.918 -32.722 18 HG SER 3 HG SER 3 5.728 -9.735 -32.372 19 H VAL 4 HN VAL 4 3.084 -12.164 -29.400 20 HA VAL 4 HA VAL 4 1.317 -12.806 -31.681 21 HB VAL 4 HB VAL 4 -0.201 -13.998 -30.132 22 HG11 VAL 4 HG11 VAL 4 2.655 -14.992 -30.282 23 HG12 VAL 4 HG12 VAL 4 1.346 -15.334 -31.414 24 HG13 VAL 4 HG13 VAL 4 1.294 -15.996 -29.779 25 HG21 VAL 4 HG21 VAL 4 2.081 -13.704 -28.139 26 HG22 VAL 4 HG22 VAL 4 0.594 -14.617 -27.879 27 HG23 VAL 4 HG23 VAL 4 0.535 -12.861 -28.033 28 H ARG 5 HN ARG 5 -0.841 -11.955 -31.535 29 HA ARG 5 HA ARG 5 -0.873 -9.244 -30.582 30 HB2 ARG 5 HB2 ARG 5 -3.054 -10.901 -31.872 31 HB3 ARG 5 HB1 ARG 5 -3.137 -9.167 -31.577 32 HG2 ARG 5 HG2 ARG 5 -0.951 -10.456 -33.242 33 HG3 ARG 5 HG1 ARG 5 -2.442 -9.821 -33.937 34 HD2 ARG 5 HD2 ARG 5 -1.920 -7.589 -32.962 35 HD3 ARG 5 HD1 ARG 5 -0.403 -8.230 -32.343 36 HE ARG 5 HE ARG 5 -1.026 -7.593 -35.127 37 HH11 ARG 5 HH11 ARG 5 1.196 -9.184 -32.917 38 HH12 ARG 5 HH12 ARG 5 2.503 -9.201 -34.054 39 HH21 ARG 5 HH21 ARG 5 0.704 -7.638 -36.576 40 HH22 ARG 5 HH22 ARG 5 2.223 -8.329 -36.114 41 H TYR 6 HN TYR 6 -2.588 -8.337 -29.265 42 HA TYR 6 HA TYR 6 -3.632 -10.189 -27.223 43 HB2 TYR 6 HB2 TYR 6 -1.682 -8.935 -26.327 44 HB3 TYR 6 HB1 TYR 6 -2.470 -7.419 -26.750 45 HD1 TYR 6 HD1 TYR 6 -2.758 -10.463 -24.616 46 HD2 TYR 6 HD2 TYR 6 -4.161 -6.468 -25.344 47 HE1 TYR 6 HE1 TYR 6 -3.976 -10.494 -22.453 48 HE2 TYR 6 HE2 TYR 6 -5.378 -6.500 -23.185 49 HH TYR 6 HH TYR 6 -5.696 -9.420 -21.289 50 H ILE 7 HN ILE 7 -5.761 -10.006 -26.909 51 HA ILE 7 HA ILE 7 -7.145 -7.678 -28.088 52 HB ILE 7 HB ILE 7 -7.570 -9.811 -29.254 53 HG12 ILE 7 HG12 ILE 7 -10.073 -9.058 -27.712 54 HG13 ILE 7 HG11 ILE 7 -9.363 -7.977 -28.918 55 HG21 ILE 7 HG21 ILE 7 -8.873 -10.765 -26.687 56 HG22 ILE 7 HG22 ILE 7 -7.252 -11.246 -27.189 57 HG23 ILE 7 HG23 ILE 7 -8.647 -11.678 -28.180 58 HD11 ILE 7 HD11 ILE 7 -10.441 -10.776 -29.353 59 HD12 ILE 7 HD12 ILE 7 -9.472 -9.923 -30.553 60 HD13 ILE 7 HD13 ILE 7 -11.034 -9.274 -30.059 61 H THR 8 HN THR 8 -8.360 -6.437 -26.802 62 HA THR 8 HA THR 8 -8.440 -6.955 -23.964 63 HB THR 8 HB THR 8 -9.510 -4.750 -23.800 64 HG1 THR 8 HG1 THR 8 -10.725 -4.952 -25.744 65 HG21 THR 8 HG21 THR 8 -7.019 -4.967 -24.084 66 HG22 THR 8 HG22 THR 8 -7.675 -3.424 -24.634 67 HG23 THR 8 HG23 THR 8 -7.247 -4.668 -25.808 68 H TYR 9 HN TYR 9 -10.444 -6.704 -22.715 69 HA TYR 9 HA TYR 9 -12.837 -7.742 -24.092 70 HB2 TYR 9 HB2 TYR 9 -11.674 -8.766 -21.492 71 HB3 TYR 9 HB1 TYR 9 -13.264 -9.208 -22.117 72 HD1 TYR 9 HD1 TYR 9 -9.614 -9.441 -22.705 73 HD2 TYR 9 HD2 TYR 9 -13.509 -10.715 -23.990 74 HE1 TYR 9 HE1 TYR 9 -8.575 -11.188 -24.127 75 HE2 TYR 9 HE2 TYR 9 -12.470 -12.461 -25.412 76 HH TYR 9 HH TYR 9 -9.918 -13.742 -25.176 77 HA PRO 10 HA PRO 10 -14.997 -4.528 -21.893 78 HB2 PRO 10 HB2 PRO 10 -17.442 -5.600 -21.390 79 HB3 PRO 10 HB1 PRO 10 -16.912 -5.128 -23.022 80 HG2 PRO 10 HG2 PRO 10 -16.952 -7.834 -21.763 81 HG3 PRO 10 HG1 PRO 10 -17.455 -7.342 -23.392 82 HD2 PRO 10 HD2 PRO 10 -15.058 -8.513 -22.940 83 HD3 PRO 10 HD1 PRO 10 -15.273 -7.276 -24.203 84 H ALA 11 HN ALA 11 -15.469 -3.785 -19.811 85 HA ALA 11 HA ALA 11 -15.757 -5.631 -17.590 86 HB1 ALA 11 HB1 ALA 11 -13.315 -5.525 -17.877 87 HB2 ALA 11 HB2 ALA 11 -13.828 -4.772 -16.365 88 HB3 ALA 11 HB3 ALA 11 -13.380 -3.767 -17.744 89 H ILE 12 HN ILE 12 -16.317 -4.571 -15.607 90 HA ILE 12 HA ILE 12 -17.826 -2.122 -16.061 91 HB ILE 12 HB ILE 12 -17.640 -3.885 -13.582 92 HG12 ILE 12 HG12 ILE 12 -19.908 -3.675 -15.602 93 HG13 ILE 12 HG11 ILE 12 -18.640 -4.896 -15.729 94 HG21 ILE 12 HG21 ILE 12 -19.680 -2.679 -12.858 95 HG22 ILE 12 HG22 ILE 12 -19.606 -1.671 -14.303 96 HG23 ILE 12 HG23 ILE 12 -18.344 -1.548 -13.079 97 HD11 ILE 12 HD11 ILE 12 -20.506 -4.530 -13.357 98 HD12 ILE 12 HD12 ILE 12 -19.232 -5.744 -13.479 99 HD13 ILE 12 HD13 ILE 12 -20.619 -5.810 -14.567 100 H ASP 13 HN ASP 13 -15.666 -3.136 -13.395 101 HA ASP 13 HA ASP 13 -14.512 -0.408 -13.371 102 HB2 ASP 13 HB2 ASP 13 -15.242 -2.066 -10.955 103 HB3 ASP 13 HB1 ASP 13 -14.439 -0.497 -10.924 104 H ARG 14 HN ARG 14 -13.583 -3.241 -14.321 105 HA ARG 14 HA ARG 14 -11.444 -4.066 -12.678 106 HB2 ARG 14 HB2 ARG 14 -11.904 -4.431 -15.642 107 HB3 ARG 14 HB1 ARG 14 -10.571 -5.178 -14.766 108 HG2 ARG 14 HG2 ARG 14 -12.177 -6.268 -13.237 109 HG3 ARG 14 HG1 ARG 14 -13.515 -5.542 -14.129 110 HD2 ARG 14 HD2 ARG 14 -12.812 -6.730 -16.168 111 HD3 ARG 14 HD1 ARG 14 -11.458 -7.440 -15.294 112 HE ARG 14 HE ARG 14 -12.944 -8.926 -14.266 113 HH11 ARG 14 HH11 ARG 14 -14.766 -6.427 -15.938 114 HH12 ARG 14 HH12 ARG 14 -16.285 -7.236 -15.742 115 HH21 ARG 14 HH21 ARG 14 -14.955 -9.946 -14.030 116 HH22 ARG 14 HH22 ARG 14 -16.388 -9.215 -14.669 117 H GLY 15 HN GLY 15 -11.577 -1.707 -15.307 118 HA2 GLY 15 HA2 GLY 15 -8.707 -1.196 -15.111 119 HA3 GLY 15 HA1 GLY 15 -9.801 -0.476 -16.295 120 H ASP 16 HN ASP 16 -10.706 -0.457 -12.961 121 HA ASP 16 HA ASP 16 -11.045 1.199 -11.480 122 HB2 ASP 16 HB2 ASP 16 -8.380 2.119 -12.542 123 HB3 ASP 16 HB1 ASP 16 -9.099 2.649 -11.022 124 H HIS 17 HN HIS 17 -10.823 3.811 -11.255 125 HA HIS 17 HA HIS 17 -11.325 5.240 -13.708 126 HB2 HIS 17 HB2 HIS 17 -13.624 5.932 -13.166 127 HB3 HIS 17 HB1 HIS 17 -13.520 4.188 -13.377 128 HD2 HIS 17 HD2 HIS 17 -14.644 6.715 -10.698 129 HE1 HIS 17 HE1 HIS 17 -14.439 2.961 -8.777 130 HE2 HIS 17 HE2 HIS 17 -15.233 5.365 -8.543 131 H ALA 18 HN ALA 18 -11.865 7.562 -13.290 132 HA ALA 18 HA ALA 18 -10.887 8.531 -10.678 133 HB1 ALA 18 HB1 ALA 18 -9.102 8.562 -12.537 134 HB2 ALA 18 HB2 ALA 18 -9.383 10.063 -11.655 135 HB3 ALA 18 HB3 ALA 18 -10.071 9.844 -13.263 136 H VAL 19 HN VAL 19 -11.822 10.430 -9.959 137 HA VAL 19 HA VAL 19 -14.335 11.131 -11.243 138 HB VAL 19 HB VAL 19 -13.099 12.165 -8.660 139 HG11 VAL 19 HG11 VAL 19 -15.422 12.905 -8.148 140 HG12 VAL 19 HG12 VAL 19 -15.912 12.426 -9.772 141 HG13 VAL 19 HG13 VAL 19 -14.755 13.738 -9.552 142 HG21 VAL 19 HG21 VAL 19 -15.136 9.985 -9.229 143 HG22 VAL 19 HG22 VAL 19 -14.849 10.654 -7.623 144 HG23 VAL 19 HG23 VAL 19 -13.560 9.792 -8.463 145 H HIS 20 HN HIS 20 -11.801 13.256 -9.837 146 HA HIS 20 HA HIS 20 -11.945 14.937 -12.262 147 HB2 HIS 20 HB2 HIS 20 -13.396 15.925 -10.512 148 HB3 HIS 20 HB1 HIS 20 -12.028 15.963 -9.407 149 HD2 HIS 20 HD2 HIS 20 -10.565 18.310 -9.581 150 HE1 HIS 20 HE1 HIS 20 -11.987 19.629 -13.328 151 HE2 HIS 20 HE2 HIS 20 -10.521 20.232 -11.346 152 H CYS 21 HN CYS 21 -9.970 14.917 -13.131 153 HA CYS 21 HA CYS 21 -7.609 14.861 -11.393 154 HB2 CYS 21 HB2 CYS 21 -8.003 14.287 -14.315 155 HB3 CYS 21 HB1 CYS 21 -6.399 14.622 -13.667 156 H ASP 22 HN ASP 22 -5.804 16.357 -11.826 157 HA ASP 22 HA ASP 22 -6.722 19.026 -11.924 158 HB2 ASP 22 HB2 ASP 22 -3.988 17.769 -11.956 159 HB3 ASP 22 HB1 ASP 22 -4.225 19.510 -11.969 160 H LYS 23 HN LYS 23 -6.697 20.526 -13.525 161 HA LYS 23 HA LYS 23 -6.519 19.618 -16.258 162 HB2 LYS 23 HB2 LYS 23 -7.433 22.053 -14.851 163 HB3 LYS 23 HB1 LYS 23 -6.642 22.408 -16.383 164 HG2 LYS 23 HG2 LYS 23 -8.968 22.130 -16.887 165 HG3 LYS 23 HG1 LYS 23 -8.177 20.652 -17.437 166 HD2 LYS 23 HD2 LYS 23 -8.834 19.516 -15.348 167 HD3 LYS 23 HD1 LYS 23 -9.620 20.993 -14.788 168 HE2 LYS 23 HE2 LYS 23 -11.140 20.924 -16.736 169 HE3 LYS 23 HE1 LYS 23 -10.362 19.439 -17.284 170 HZ1 LYS 23 HZ1 LYS 23 -12.228 19.859 -15.095 171 HZ2 LYS 23 HZ2 LYS 23 -10.963 18.768 -14.786 172 HZ3 LYS 23 HZ3 LYS 23 -12.015 18.509 -16.094 173 H ALA 24 HN ALA 24 -4.346 21.067 -14.013 174 HA ALA 24 HA ALA 24 -2.397 21.754 -16.117 175 HB1 ALA 24 HB1 ALA 24 -2.690 23.517 -14.497 176 HB2 ALA 24 HB2 ALA 24 -1.110 22.783 -14.224 177 HB3 ALA 24 HB3 ALA 24 -2.460 22.391 -13.160 178 H HIS 25 HN HIS 25 -3.079 19.514 -13.552 179 HA HIS 25 HA HIS 25 -0.643 18.005 -14.224 180 HB2 HIS 25 HB2 HIS 25 -1.834 18.505 -11.488 181 HB3 HIS 25 HB1 HIS 25 -0.622 17.271 -11.798 182 HD2 HIS 25 HD2 HIS 25 -0.797 21.036 -11.061 183 HE1 HIS 25 HE1 HIS 25 3.111 20.311 -12.485 184 HE2 HIS 25 HE2 HIS 25 1.600 22.022 -11.369 185 HA PRO 26 HA PRO 26 -4.702 15.496 -14.460 186 HB2 PRO 26 HB2 PRO 26 -4.759 14.988 -17.123 187 HB3 PRO 26 HB1 PRO 26 -5.487 16.443 -16.406 188 HG2 PRO 26 HG2 PRO 26 -2.846 16.130 -17.742 189 HG3 PRO 26 HG1 PRO 26 -4.072 17.395 -17.957 190 HD2 PRO 26 HD2 PRO 26 -1.904 17.797 -16.402 191 HD3 PRO 26 HD1 PRO 26 -3.487 18.501 -16.000 192 H ASN 27 HN ASN 27 -1.573 15.232 -15.991 193 HA ASN 27 HA ASN 27 -1.545 12.389 -16.329 194 HB2 ASN 27 HB2 ASN 27 0.667 14.443 -16.296 195 HB3 ASN 27 HB1 ASN 27 0.925 12.732 -16.636 196 HD21 ASN 27 HD21 ASN 27 -1.018 11.968 -18.331 197 HD22 ASN 27 HD22 ASN 27 -1.089 12.954 -19.710 198 H THR 28 HN THR 28 -0.763 14.561 -13.705 199 HA THR 28 HA THR 28 0.198 12.271 -12.083 200 HB THR 28 HB THR 28 1.452 13.932 -10.729 201 HG1 THR 28 HG1 THR 28 0.750 15.889 -10.995 202 HG21 THR 28 HG21 THR 28 3.134 14.493 -12.547 203 HG22 THR 28 HG22 THR 28 1.995 13.798 -13.700 204 HG23 THR 28 HG23 THR 28 2.689 12.789 -12.430 205 H CYS 29 HN CYS 29 -2.591 13.477 -12.536 206 HA CYS 29 HA CYS 29 -3.435 14.770 -10.178 207 HB2 CYS 29 HB2 CYS 29 -5.668 14.356 -10.929 208 HB3 CYS 29 HB1 CYS 29 -4.698 14.680 -12.354 209 H LYS 30 HN LYS 30 -4.896 13.891 -8.528 210 HA LYS 30 HA LYS 30 -5.359 12.467 -6.789 211 HB2 LYS 30 HB2 LYS 30 -4.630 10.215 -8.687 212 HB3 LYS 30 HB1 LYS 30 -5.597 10.095 -7.222 213 HG2 LYS 30 HG2 LYS 30 -6.385 11.828 -9.574 214 HG3 LYS 30 HG1 LYS 30 -6.924 10.163 -9.406 215 HD2 LYS 30 HD2 LYS 30 -7.384 12.274 -7.272 216 HD3 LYS 30 HD1 LYS 30 -8.549 11.930 -8.545 217 HE2 LYS 30 HE2 LYS 30 -8.615 9.549 -7.806 218 HE3 LYS 30 HE1 LYS 30 -7.530 9.955 -6.478 219 HZ1 LYS 30 HZ1 LYS 30 -10.057 11.422 -6.890 220 HZ2 LYS 30 HZ2 LYS 30 -9.116 11.294 -5.480 221 HZ3 LYS 30 HZ3 LYS 30 -10.024 9.964 -6.027 222 H LYS 31 HN LYS 31 -4.311 11.566 -5.062 223 HA LYS 31 HA LYS 31 -1.476 10.856 -5.392 224 HB2 LYS 31 HB2 LYS 31 -2.523 12.761 -3.281 225 HB3 LYS 31 HB1 LYS 31 -0.870 12.162 -3.396 226 HG2 LYS 31 HG2 LYS 31 -2.225 13.705 -5.615 227 HG3 LYS 31 HG1 LYS 31 -1.214 14.466 -4.389 228 HD2 LYS 31 HD2 LYS 31 0.679 12.986 -5.077 229 HD3 LYS 31 HD1 LYS 31 -0.339 12.313 -6.350 230 HE2 LYS 31 HE2 LYS 31 -0.597 14.546 -7.338 231 HE3 LYS 31 HE1 LYS 31 0.428 15.230 -6.076 232 HZ1 LYS 31 HZ1 LYS 31 1.249 13.144 -8.029 233 HZ2 LYS 31 HZ2 LYS 31 2.234 13.808 -6.815 234 HZ3 LYS 31 HZ3 LYS 31 1.686 14.781 -8.094 235 H LYS 32 HN LYS 32 -0.581 9.590 -3.744 236 HA LYS 32 HA LYS 32 -2.560 8.171 -2.054 237 HB2 LYS 32 HB2 LYS 32 -0.282 6.849 -3.569 238 HB3 LYS 32 HB1 LYS 32 -1.521 6.048 -2.607 239 HG2 LYS 32 HG2 LYS 32 -2.109 7.689 -5.090 240 HG3 LYS 32 HG1 LYS 32 -1.974 5.938 -5.086 241 HD2 LYS 32 HD2 LYS 32 -3.869 5.780 -3.522 242 HD3 LYS 32 HD1 LYS 32 -3.988 7.541 -3.469 243 HE2 LYS 32 HE2 LYS 32 -4.390 7.589 -5.884 244 HE3 LYS 32 HE1 LYS 32 -4.311 5.827 -5.946 245 HZ1 LYS 32 HZ1 LYS 32 -6.599 6.554 -5.820 246 HZ2 LYS 32 HZ2 LYS 32 -6.276 7.446 -4.409 247 HZ3 LYS 32 HZ3 LYS 32 -6.184 5.750 -4.387 248 H GLN 33 HN GLN 33 -1.717 7.272 -0.104 249 HA GLN 33 HA GLN 33 1.033 7.919 0.600 250 HB2 GLN 33 HB2 GLN 33 0.444 9.197 2.598 251 HB3 GLN 33 HB1 GLN 33 -0.218 9.975 1.164 252 HG2 GLN 33 HG2 GLN 33 -1.987 8.012 2.601 253 HG3 GLN 33 HG1 GLN 33 -1.693 9.562 3.372 254 HE21 GLN 33 HE21 GLN 33 -3.867 10.351 3.000 255 HE22 GLN 33 HE22 GLN 33 -4.416 10.756 1.445 256 H ALA 34 HN ALA 34 1.647 7.106 2.744 257 HA ALA 34 HA ALA 34 1.895 5.424 4.231 258 HB1 ALA 34 HB1 ALA 34 -1.112 5.172 3.977 259 HB2 ALA 34 HB2 ALA 34 -0.243 6.146 5.162 260 HB3 ALA 34 HB3 ALA 34 -0.135 4.388 5.219 261 H ASN 35 HN ASN 35 -0.757 3.904 2.434 262 HA ASN 35 HA ASN 35 -0.910 1.942 1.353 263 HB2 ASN 35 HB2 ASN 35 1.466 1.454 0.001 264 HB3 ASN 35 HB1 ASN 35 0.102 2.382 -0.598 265 HD21 ASN 35 HD21 ASN 35 3.444 2.534 0.190 266 HD22 ASN 35 HD22 ASN 35 3.631 4.216 0.050 267 HA PRO 36 HA PRO 36 0.873 -1.172 4.031 268 HB2 PRO 36 HB2 PRO 36 -0.107 -3.423 2.975 269 HB3 PRO 36 HB1 PRO 36 -1.174 -2.222 3.741 270 HG2 PRO 36 HG2 PRO 36 -0.639 -2.698 0.855 271 HG3 PRO 36 HG1 PRO 36 -2.177 -2.382 1.679 272 HD2 PRO 36 HD2 PRO 36 -0.746 -0.448 0.341 273 HD3 PRO 36 HD1 PRO 36 -1.859 -0.089 1.675 274 H TYR 37 HN TYR 37 1.459 -1.182 0.604 275 HA TYR 37 HA TYR 37 3.191 -3.353 0.302 276 HB2 TYR 37 HB2 TYR 37 2.165 -2.172 -1.581 277 HB3 TYR 37 HB1 TYR 37 3.087 -0.722 -1.203 278 HD1 TYR 37 HD1 TYR 37 3.404 -4.291 -2.248 279 HD2 TYR 37 HD2 TYR 37 5.329 -0.461 -1.995 280 HE1 TYR 37 HE1 TYR 37 5.276 -5.139 -3.638 281 HE2 TYR 37 HE2 TYR 37 7.198 -1.305 -3.383 282 HH TYR 37 HH TYR 37 7.733 -3.015 -4.900 283 H ARG 38 HN ARG 38 3.978 0.089 0.948 284 HA ARG 38 HA ARG 38 6.303 -0.637 2.490 285 HB2 ARG 38 HB2 ARG 38 7.124 -0.876 0.145 286 HB3 ARG 38 HB1 ARG 38 6.773 0.835 -0.108 287 HG2 ARG 38 HG2 ARG 38 8.347 1.452 1.657 288 HG3 ARG 38 HG1 ARG 38 8.648 -0.249 2.019 289 HD2 ARG 38 HD2 ARG 38 9.533 -0.585 -0.254 290 HD3 ARG 38 HD1 ARG 38 9.224 1.109 -0.629 291 HE ARG 38 HE ARG 38 11.120 1.687 0.602 292 HH11 ARG 38 HH11 ARG 38 10.308 -1.671 1.248 293 HH12 ARG 38 HH12 ARG 38 11.781 -1.989 2.102 294 HH21 ARG 38 HH21 ARG 38 13.034 1.224 1.713 295 HH22 ARG 38 HH22 ARG 38 13.312 -0.359 2.362 296 H ARG 39 HN ARG 39 6.948 0.935 3.813 297 HA ARG 39 HA ARG 39 6.092 3.688 3.356 298 HB2 ARG 39 HB2 ARG 39 4.295 2.451 4.701 299 HB3 ARG 39 HB1 ARG 39 5.462 2.435 6.023 300 HG2 ARG 39 HG2 ARG 39 5.619 4.871 5.987 301 HG3 ARG 39 HG1 ARG 39 4.559 4.950 4.581 302 HD2 ARG 39 HD2 ARG 39 3.212 5.440 6.497 303 HD3 ARG 39 HD1 ARG 39 2.773 3.827 5.969 304 HE ARG 39 HE ARG 39 4.424 4.493 8.338 305 HH11 ARG 39 HH11 ARG 39 2.606 2.059 6.516 306 HH12 ARG 39 HH12 ARG 39 2.624 0.927 7.820 307 HH21 ARG 39 HH21 ARG 39 4.386 2.969 9.996 308 HH22 ARG 39 HH22 ARG 39 3.623 1.433 9.769 309 H GLY 40 HN GLY 40 8.413 1.495 4.548 310 HA2 GLY 40 HA2 GLY 40 10.254 3.603 5.210 311 HA3 GLY 40 HA1 GLY 40 9.751 2.672 6.617 312 H CYS 41 HN CYS 41 12.380 2.644 5.994 313 HA CYS 41 HA CYS 41 13.078 0.439 4.269 314 HB2 CYS 41 HB2 CYS 41 15.367 0.890 4.909 315 HB3 CYS 41 HB1 CYS 41 14.552 2.417 4.584 316 H GLY 42 HN GLY 42 14.316 -1.428 4.972 317 HA2 GLY 42 HA2 GLY 42 13.863 -2.295 7.748 318 HA3 GLY 42 HA1 GLY 42 13.266 -3.310 6.442 319 H VAL 43 HN VAL 43 16.169 -1.654 5.671 320 HA VAL 43 HA VAL 43 17.672 -4.034 5.341 321 HB VAL 43 HB VAL 43 19.581 -2.524 4.880 322 HG11 VAL 43 HG11 VAL 43 17.759 -3.054 3.198 323 HG12 VAL 43 HG12 VAL 43 18.659 -1.570 2.885 324 HG13 VAL 43 HG13 VAL 43 17.047 -1.491 3.597 325 HG21 VAL 43 HG21 VAL 43 17.615 -0.375 5.759 326 HG22 VAL 43 HG22 VAL 43 19.102 -0.041 4.874 327 HG23 VAL 43 HG23 VAL 43 19.179 -0.738 6.488 328 H LEU 44 HN LEU 44 17.448 -1.725 7.963 329 HA LEU 44 HA LEU 44 18.202 -1.735 10.121 330 HB2 LEU 44 HB2 LEU 44 18.744 -4.659 9.551 331 HB3 LEU 44 HB1 LEU 44 18.807 -3.914 11.145 332 HG LEU 44 HG LEU 44 16.345 -3.845 9.368 333 HD11 LEU 44 HD11 LEU 44 15.486 -5.573 11.005 334 HD12 LEU 44 HD12 LEU 44 17.139 -5.735 11.598 335 HD13 LEU 44 HD13 LEU 44 16.757 -6.153 9.929 336 HD21 LEU 44 HD21 LEU 44 16.333 -2.070 11.032 337 HD22 LEU 44 HD22 LEU 44 16.869 -3.181 12.292 338 HD23 LEU 44 HD23 LEU 44 15.252 -3.338 11.611 339 H GLU 45 HN GLU 45 20.265 -1.896 7.574 340 HA GLU 45 HA GLU 45 22.786 -2.469 8.766 341 HB2 GLU 45 HB2 GLU 45 22.012 -0.820 6.358 342 HB3 GLU 45 HB1 GLU 45 23.684 -1.125 6.829 343 HG2 GLU 45 HG2 GLU 45 23.395 -3.514 6.586 344 HG3 GLU 45 HG1 GLU 45 21.663 -3.327 6.331 345 H GLY 46 HN GLY 46 20.825 0.410 8.467 346 HA2 GLY 46 HA2 GLY 46 21.900 1.708 10.717 347 HA3 GLY 46 HA1 GLY 46 22.634 2.384 9.261 348 H CYS 47 HN CYS 47 20.814 2.597 7.443 349 HA CYS 47 HA CYS 47 19.162 4.020 6.715 350 HB2 CYS 47 HB2 CYS 47 18.071 1.816 7.668 351 HB3 CYS 47 HB1 CYS 47 17.390 2.931 8.857 352 H HIS 48 HN HIS 48 19.848 6.078 7.220 353 HA HIS 48 HA HIS 48 19.087 7.198 9.830 354 HB2 HIS 48 HB2 HIS 48 20.864 8.254 7.622 355 HB3 HIS 48 HB1 HIS 48 20.448 9.166 9.071 356 HD2 HIS 48 HD2 HIS 48 21.835 8.399 11.389 357 HE1 HIS 48 HE1 HIS 48 23.982 5.200 9.663 358 HE2 HIS 48 HE2 HIS 48 23.724 6.635 11.743 359 H ARG 49 HN ARG 49 17.127 8.057 9.949 360 HA ARG 49 HA ARG 49 16.176 9.762 7.747 361 HB2 ARG 49 HB2 ARG 49 15.150 7.489 7.523 362 HB3 ARG 49 HB1 ARG 49 14.433 7.699 9.119 363 HG2 ARG 49 HG2 ARG 49 13.282 9.756 8.295 364 HG3 ARG 49 HG1 ARG 49 13.937 9.447 6.686 365 HD2 ARG 49 HD2 ARG 49 11.699 8.550 6.748 366 HD3 ARG 49 HD1 ARG 49 12.824 7.196 6.740 367 HE ARG 49 HE ARG 49 12.129 6.653 8.901 368 HH11 ARG 49 HH11 ARG 49 10.919 9.848 8.076 369 HH12 ARG 49 HH12 ARG 49 9.892 9.949 9.466 370 HH21 ARG 49 HH21 ARG 49 10.767 6.825 10.698 371 HH22 ARG 49 HH22 ARG 49 9.807 8.246 10.940 372 H GLU 50 HN GLU 50 15.342 11.627 8.401 373 HA GLU 50 HA GLU 50 14.472 11.940 11.211 374 HB2 GLU 50 HB2 GLU 50 16.087 13.923 9.615 375 HB3 GLU 50 HB1 GLU 50 15.462 14.186 11.239 376 HG2 GLU 50 HG2 GLU 50 16.795 12.267 12.068 377 HG3 GLU 50 HG1 GLU 50 17.460 12.040 10.451 378 H THR 51 HN THR 51 12.879 13.573 11.551 379 HA THR 51 HA THR 51 11.699 14.840 9.226 380 HB THR 51 HB THR 51 10.706 12.619 9.193 381 HG1 THR 51 HG1 THR 51 8.703 13.382 8.901 382 HG21 THR 51 HG21 THR 51 10.909 12.175 11.651 383 HG22 THR 51 HG22 THR 51 9.315 11.790 11.005 384 HG23 THR 51 HG23 THR 51 9.558 13.276 11.923 385 H GLY 52 HN GLY 52 10.255 16.504 9.695 386 HA2 GLY 52 HA2 GLY 52 9.199 17.209 12.174 387 HA3 GLY 52 HA1 GLY 52 10.781 17.967 12.061 388 HA PRO 53 HA PRO 53 8.454 19.936 8.288 389 HB2 PRO 53 HB2 PRO 53 5.902 19.206 7.756 390 HB3 PRO 53 HB1 PRO 53 7.304 18.319 7.115 391 HG2 PRO 53 HG2 PRO 53 5.626 17.690 9.509 392 HG3 PRO 53 HG1 PRO 53 6.154 16.612 8.199 393 HD2 PRO 53 HD2 PRO 53 7.432 16.653 10.564 394 HD3 PRO 53 HD1 PRO 53 8.327 16.445 9.037 395 H LYS 54 HN LYS 54 7.142 21.833 8.223 396 HA LYS 54 HA LYS 54 5.501 22.379 10.621 397 HB2 LYS 54 HB2 LYS 54 7.529 24.259 9.359 398 HB3 LYS 54 HB1 LYS 54 6.442 24.679 10.680 399 HG2 LYS 54 HG2 LYS 54 8.339 22.331 10.886 400 HG3 LYS 54 HG1 LYS 54 8.857 23.963 11.298 401 HD2 LYS 54 HD2 LYS 54 6.352 22.760 12.500 402 HD3 LYS 54 HD1 LYS 54 7.939 22.488 13.219 403 HE2 LYS 54 HE2 LYS 54 6.727 25.220 12.680 404 HE3 LYS 54 HE1 LYS 54 6.778 24.427 14.252 405 HZ1 LYS 54 HZ1 LYS 54 9.293 24.267 13.766 406 HZ2 LYS 54 HZ2 LYS 54 8.644 25.744 14.299 407 HZ3 LYS 54 HZ3 LYS 54 9.000 25.513 12.654 408 HA PRO 55 HA PRO 55 3.196 23.392 6.597 409 HB2 PRO 55 HB2 PRO 55 0.857 22.163 7.264 410 HB3 PRO 55 HB1 PRO 55 2.207 21.313 6.478 411 HG2 PRO 55 HG2 PRO 55 1.453 21.406 9.363 412 HG3 PRO 55 HG1 PRO 55 1.902 20.015 8.360 413 HD2 PRO 55 HD2 PRO 55 3.691 21.149 10.020 414 HD3 PRO 55 HD1 PRO 55 4.178 20.515 8.428 415 H THR 56 HN THR 56 2.520 23.664 10.013 416 HA THR 56 HA THR 56 0.219 25.108 10.209 417 HB THR 56 HB THR 56 1.509 24.391 12.162 418 HG1 THR 56 HG1 THR 56 1.100 27.190 11.998 419 HG21 THR 56 HG21 THR 56 3.771 24.869 11.375 420 HG22 THR 56 HG22 THR 56 3.483 25.717 12.894 421 HG23 THR 56 HG23 THR 56 3.430 26.600 11.369 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 -14.052 20.941 35.864 2 H2 GLU 1 HT2 GLU 1 -13.710 20.256 34.346 3 H3 GLU 1 HT3 GLU 1 -15.315 20.602 34.787 4 HA GLU 1 HA GLU 1 -14.700 22.991 34.909 5 HB2 GLU 1 HB2 GLU 1 -12.192 22.302 35.069 6 HB3 GLU 1 HB1 GLU 1 -12.267 22.176 33.312 7 HG2 GLU 1 HG2 GLU 1 -13.236 24.670 34.727 8 HG3 GLU 1 HG1 GLU 1 -11.533 24.449 34.347 9 H ALA 2 HN ALA 2 -13.607 20.814 32.300 10 HA ALA 2 HA ALA 2 -14.772 22.289 30.180 11 HB1 ALA 2 HB1 ALA 2 -14.409 20.166 28.874 12 HB2 ALA 2 HB2 ALA 2 -13.852 19.422 30.372 13 HB3 ALA 2 HB3 ALA 2 -12.974 20.790 29.689 14 H SER 3 HN SER 3 -16.631 21.961 28.991 15 HA SER 3 HA SER 3 -18.951 21.133 30.400 16 HB2 SER 3 HB2 SER 3 -18.556 21.712 27.455 17 HB3 SER 3 HB1 SER 3 -20.114 21.499 28.245 18 HG SER 3 HG SER 3 -19.395 23.248 29.676 19 H VAL 4 HN VAL 4 -20.450 19.466 29.777 20 HA VAL 4 HA VAL 4 -21.034 17.311 29.588 21 HB VAL 4 HB VAL 4 -20.601 16.129 27.530 22 HG11 VAL 4 HG11 VAL 4 -22.181 17.988 27.431 23 HG12 VAL 4 HG12 VAL 4 -21.317 17.837 25.899 24 HG13 VAL 4 HG13 VAL 4 -20.871 19.104 27.042 25 HG21 VAL 4 HG21 VAL 4 -18.925 16.699 25.939 26 HG22 VAL 4 HG22 VAL 4 -18.094 16.791 27.491 27 HG23 VAL 4 HG23 VAL 4 -18.626 18.267 26.686 28 H ARG 5 HN ARG 5 -20.594 15.289 30.278 29 HA ARG 5 HA ARG 5 -18.407 15.042 31.975 30 HB2 ARG 5 HB2 ARG 5 -20.498 13.788 32.304 31 HB3 ARG 5 HB1 ARG 5 -20.181 12.844 30.855 32 HG2 ARG 5 HG2 ARG 5 -19.533 11.498 32.773 33 HG3 ARG 5 HG1 ARG 5 -18.059 12.004 31.953 34 HD2 ARG 5 HD2 ARG 5 -17.729 13.801 33.585 35 HD3 ARG 5 HD1 ARG 5 -19.251 13.396 34.372 36 HE ARG 5 HE ARG 5 -17.705 11.068 34.371 37 HH11 ARG 5 HH11 ARG 5 -17.477 14.293 35.749 38 HH12 ARG 5 HH12 ARG 5 -16.544 13.775 37.113 39 HH21 ARG 5 HH21 ARG 5 -16.490 10.437 36.166 40 HH22 ARG 5 HH22 ARG 5 -15.990 11.603 37.347 41 H TYR 6 HN TYR 6 -18.932 13.447 28.790 42 HA TYR 6 HA TYR 6 -16.307 13.697 27.906 43 HB2 TYR 6 HB2 TYR 6 -15.909 12.024 29.854 44 HB3 TYR 6 HB1 TYR 6 -16.736 10.850 28.843 45 HD1 TYR 6 HD1 TYR 6 -13.794 13.087 29.077 46 HD2 TYR 6 HD2 TYR 6 -15.686 9.917 26.880 47 HE1 TYR 6 HE1 TYR 6 -11.697 12.718 27.805 48 HE2 TYR 6 HE2 TYR 6 -13.589 9.548 25.608 49 HH TYR 6 HH TYR 6 -10.880 11.742 25.841 50 H ILE 7 HN ILE 7 -17.609 14.184 26.089 51 HA ILE 7 HA ILE 7 -18.351 11.792 24.546 52 HB ILE 7 HB ILE 7 -20.420 12.862 23.739 53 HG12 ILE 7 HG12 ILE 7 -19.989 14.901 25.950 54 HG13 ILE 7 HG11 ILE 7 -19.622 15.243 24.256 55 HG21 ILE 7 HG21 ILE 7 -20.250 12.617 26.755 56 HG22 ILE 7 HG22 ILE 7 -20.476 11.278 25.627 57 HG23 ILE 7 HG23 ILE 7 -21.725 12.510 25.794 58 HD11 ILE 7 HD11 ILE 7 -21.878 16.066 24.863 59 HD12 ILE 7 HD12 ILE 7 -22.346 14.436 25.341 60 HD13 ILE 7 HD13 ILE 7 -21.980 14.788 23.651 61 H THR 8 HN THR 8 -17.787 11.801 22.485 62 HA THR 8 HA THR 8 -17.171 14.277 21.072 63 HB THR 8 HB THR 8 -15.065 12.115 21.370 64 HG1 THR 8 HG1 THR 8 -15.334 14.674 22.563 65 HG21 THR 8 HG21 THR 8 -15.006 14.881 20.123 66 HG22 THR 8 HG22 THR 8 -14.974 13.353 19.245 67 HG23 THR 8 HG23 THR 8 -13.618 13.803 20.280 68 H TYR 9 HN TYR 9 -17.569 14.103 18.906 69 HA TYR 9 HA TYR 9 -18.277 11.411 17.905 70 HB2 TYR 9 HB2 TYR 9 -19.287 14.116 17.017 71 HB3 TYR 9 HB1 TYR 9 -19.701 12.586 16.241 72 HD1 TYR 9 HD1 TYR 9 -20.081 14.627 19.299 73 HD2 TYR 9 HD2 TYR 9 -21.166 10.979 17.310 74 HE1 TYR 9 HE1 TYR 9 -21.865 14.241 20.980 75 HE2 TYR 9 HE2 TYR 9 -22.948 10.592 18.988 76 HH TYR 9 HH TYR 9 -23.462 11.259 21.308 77 HA PRO 10 HA PRO 10 -14.899 11.914 14.981 78 HB2 PRO 10 HB2 PRO 10 -15.355 9.911 13.277 79 HB3 PRO 10 HB1 PRO 10 -14.933 9.591 14.977 80 HG2 PRO 10 HG2 PRO 10 -17.612 9.548 13.661 81 HG3 PRO 10 HG1 PRO 10 -16.907 8.399 14.814 82 HD2 PRO 10 HD2 PRO 10 -18.664 10.382 15.552 83 HD3 PRO 10 HD1 PRO 10 -17.449 9.699 16.654 84 H ALA 11 HN ALA 11 -14.423 12.572 12.803 85 HA ALA 11 HA ALA 11 -16.731 13.704 11.347 86 HB1 ALA 11 HB1 ALA 11 -15.168 15.426 12.040 87 HB2 ALA 11 HB2 ALA 11 -15.032 15.219 10.294 88 HB3 ALA 11 HB3 ALA 11 -13.813 14.523 11.361 89 H ILE 12 HN ILE 12 -17.110 11.599 10.454 90 HA ILE 12 HA ILE 12 -15.539 9.883 9.097 91 HB ILE 12 HB ILE 12 -17.499 9.225 7.745 92 HG12 ILE 12 HG12 ILE 12 -19.682 10.567 8.532 93 HG13 ILE 12 HG11 ILE 12 -18.532 11.878 8.794 94 HG21 ILE 12 HG21 ILE 12 -18.826 8.525 9.641 95 HG22 ILE 12 HG22 ILE 12 -18.189 9.837 10.630 96 HG23 ILE 12 HG23 ILE 12 -17.131 8.520 10.124 97 HD11 ILE 12 HD11 ILE 12 -18.563 10.371 6.176 98 HD12 ILE 12 HD12 ILE 12 -17.985 12.004 6.505 99 HD13 ILE 12 HD13 ILE 12 -19.712 11.672 6.480 100 H ASP 13 HN ASP 13 -16.093 13.098 8.001 101 HA ASP 13 HA ASP 13 -15.638 12.701 5.216 102 HB2 ASP 13 HB2 ASP 13 -15.254 15.091 7.029 103 HB3 ASP 13 HB1 ASP 13 -14.940 15.147 5.298 104 H ARG 14 HN ARG 14 -13.643 12.067 7.826 105 HA ARG 14 HA ARG 14 -11.140 12.921 7.643 106 HB2 ARG 14 HB2 ARG 14 -11.664 9.940 7.572 107 HB3 ARG 14 HB1 ARG 14 -10.304 10.779 8.303 108 HG2 ARG 14 HG2 ARG 14 -11.994 11.928 9.849 109 HG3 ARG 14 HG1 ARG 14 -13.187 10.799 9.197 110 HD2 ARG 14 HD2 ARG 14 -12.435 9.873 11.198 111 HD3 ARG 14 HD1 ARG 14 -11.697 8.923 9.907 112 HE ARG 14 HE ARG 14 -9.976 11.072 10.755 113 HH11 ARG 14 HH11 ARG 14 -11.011 7.830 11.631 114 HH12 ARG 14 HH12 ARG 14 -9.562 7.474 12.512 115 HH21 ARG 14 HH21 ARG 14 -8.103 10.566 11.917 116 HH22 ARG 14 HH22 ARG 14 -7.926 9.017 12.672 117 H GLY 15 HN GLY 15 -9.569 13.160 6.180 118 HA2 GLY 15 HA2 GLY 15 -8.223 12.820 4.371 119 HA3 GLY 15 HA1 GLY 15 -9.022 11.274 4.111 120 H ASP 16 HN ASP 16 -8.727 12.018 1.833 121 HA ASP 16 HA ASP 16 -11.206 13.295 0.921 122 HB2 ASP 16 HB2 ASP 16 -9.466 15.071 0.914 123 HB3 ASP 16 HB1 ASP 16 -8.470 14.072 -0.137 124 H HIS 17 HN HIS 17 -11.918 11.245 0.318 125 HA HIS 17 HA HIS 17 -10.349 9.597 -1.468 126 HB2 HIS 17 HB2 HIS 17 -12.270 8.052 -1.412 127 HB3 HIS 17 HB1 HIS 17 -11.737 8.502 0.206 128 HD2 HIS 17 HD2 HIS 17 -14.934 8.680 -1.963 129 HE1 HIS 17 HE1 HIS 17 -15.684 10.979 1.497 130 HE2 HIS 17 HE2 HIS 17 -16.744 9.934 -0.558 131 H ALA 18 HN ALA 18 -12.420 12.242 -1.958 132 HA ALA 18 HA ALA 18 -12.890 11.422 -4.772 133 HB1 ALA 18 HB1 ALA 18 -14.623 12.940 -2.850 134 HB2 ALA 18 HB2 ALA 18 -15.044 11.594 -3.912 135 HB3 ALA 18 HB3 ALA 18 -14.779 13.200 -4.588 136 H VAL 19 HN VAL 19 -11.592 12.455 -6.108 137 HA VAL 19 HA VAL 19 -11.356 15.342 -5.965 138 HB VAL 19 HB VAL 19 -9.513 14.567 -4.504 139 HG11 VAL 19 HG11 VAL 19 -8.592 13.091 -6.987 140 HG12 VAL 19 HG12 VAL 19 -9.074 12.375 -5.450 141 HG13 VAL 19 HG13 VAL 19 -7.601 13.337 -5.551 142 HG21 VAL 19 HG21 VAL 19 -7.684 15.780 -5.656 143 HG22 VAL 19 HG22 VAL 19 -9.220 16.627 -5.839 144 HG23 VAL 19 HG23 VAL 19 -8.575 15.675 -7.175 145 H HIS 20 HN HIS 20 -11.148 16.265 -7.938 146 HA HIS 20 HA HIS 20 -11.229 14.524 -10.276 147 HB2 HIS 20 HB2 HIS 20 -11.593 17.506 -9.929 148 HB3 HIS 20 HB1 HIS 20 -11.621 16.701 -11.497 149 HD2 HIS 20 HD2 HIS 20 -13.992 15.311 -12.068 150 HE1 HIS 20 HE1 HIS 20 -15.905 16.026 -8.375 151 HE2 HIS 20 HE2 HIS 20 -16.212 15.085 -10.715 152 H CYS 21 HN CYS 21 -9.807 14.750 -12.084 153 HA CYS 21 HA CYS 21 -7.064 15.028 -11.387 154 HB2 CYS 21 HB2 CYS 21 -8.383 14.888 -14.106 155 HB3 CYS 21 HB1 CYS 21 -6.661 14.673 -13.794 156 H ASP 22 HN ASP 22 -5.623 16.699 -11.727 157 HA ASP 22 HA ASP 22 -6.674 19.334 -11.968 158 HB2 ASP 22 HB2 ASP 22 -4.560 18.605 -10.717 159 HB3 ASP 22 HB1 ASP 22 -3.785 18.544 -12.292 160 H LYS 23 HN LYS 23 -6.899 20.595 -13.730 161 HA LYS 23 HA LYS 23 -6.650 19.447 -16.336 162 HB2 LYS 23 HB2 LYS 23 -7.266 22.256 -15.391 163 HB3 LYS 23 HB1 LYS 23 -7.167 21.831 -17.095 164 HG2 LYS 23 HG2 LYS 23 -9.440 21.495 -16.740 165 HG3 LYS 23 HG1 LYS 23 -8.849 19.872 -16.404 166 HD2 LYS 23 HD2 LYS 23 -8.812 20.383 -13.984 167 HD3 LYS 23 HD1 LYS 23 -9.379 22.020 -14.320 168 HE2 LYS 23 HE2 LYS 23 -10.901 19.535 -15.142 169 HE3 LYS 23 HE1 LYS 23 -11.194 20.391 -13.630 170 HZ1 LYS 23 HZ1 LYS 23 -12.424 20.948 -15.942 171 HZ2 LYS 23 HZ2 LYS 23 -11.148 22.069 -15.995 172 HZ3 LYS 23 HZ3 LYS 23 -12.227 22.062 -14.682 173 H ALA 24 HN ALA 24 -4.502 21.208 -14.304 174 HA ALA 24 HA ALA 24 -2.655 21.828 -16.508 175 HB1 ALA 24 HB1 ALA 24 -1.658 23.397 -15.138 176 HB2 ALA 24 HB2 ALA 24 -2.056 22.519 -13.661 177 HB3 ALA 24 HB3 ALA 24 -3.304 23.435 -14.505 178 H HIS 25 HN HIS 25 -3.115 19.748 -13.746 179 HA HIS 25 HA HIS 25 -0.639 18.309 -14.436 180 HB2 HIS 25 HB2 HIS 25 -1.721 18.937 -11.681 181 HB3 HIS 25 HB1 HIS 25 -0.456 17.751 -11.975 182 HD2 HIS 25 HD2 HIS 25 -0.765 21.512 -11.362 183 HE1 HIS 25 HE1 HIS 25 3.024 20.967 -13.141 184 HE2 HIS 25 HE2 HIS 25 1.530 22.618 -11.921 185 HA PRO 26 HA PRO 26 -4.531 15.545 -14.288 186 HB2 PRO 26 HB2 PRO 26 -4.682 14.848 -16.899 187 HB3 PRO 26 HB1 PRO 26 -5.465 16.300 -16.242 188 HG2 PRO 26 HG2 PRO 26 -2.881 16.058 -17.706 189 HG3 PRO 26 HG1 PRO 26 -4.193 17.231 -17.936 190 HD2 PRO 26 HD2 PRO 26 -1.966 17.855 -16.530 191 HD3 PRO 26 HD1 PRO 26 -3.558 18.517 -16.106 192 H ASN 27 HN ASN 27 -1.374 15.433 -15.721 193 HA ASN 27 HA ASN 27 -1.072 12.668 -16.162 194 HB2 ASN 27 HB2 ASN 27 0.925 14.859 -15.595 195 HB3 ASN 27 HB1 ASN 27 1.393 13.204 -15.986 196 HD21 ASN 27 HD21 ASN 27 0.013 12.385 -18.079 197 HD22 ASN 27 HD22 ASN 27 0.028 13.485 -19.373 198 H THR 28 HN THR 28 -0.651 14.698 -13.289 199 HA THR 28 HA THR 28 0.419 12.466 -11.725 200 HB THR 28 HB THR 28 0.657 14.145 -9.923 201 HG1 THR 28 HG1 THR 28 0.269 16.367 -10.675 202 HG21 THR 28 HG21 THR 28 1.736 14.998 -12.620 203 HG22 THR 28 HG22 THR 28 2.481 13.831 -11.529 204 HG23 THR 28 HG23 THR 28 2.366 15.528 -11.060 205 H CYS 29 HN CYS 29 -2.600 13.237 -12.671 206 HA CYS 29 HA CYS 29 -4.145 13.410 -10.384 207 HB2 CYS 29 HB2 CYS 29 -5.059 13.824 -12.577 208 HB3 CYS 29 HB1 CYS 29 -4.811 12.138 -13.037 209 H LYS 30 HN LYS 30 -5.123 11.978 -9.081 210 HA LYS 30 HA LYS 30 -3.730 9.742 -8.263 211 HB2 LYS 30 HB2 LYS 30 -6.675 10.308 -7.815 212 HB3 LYS 30 HB1 LYS 30 -5.666 9.231 -6.855 213 HG2 LYS 30 HG2 LYS 30 -5.154 12.203 -7.181 214 HG3 LYS 30 HG1 LYS 30 -5.978 11.504 -5.800 215 HD2 LYS 30 HD2 LYS 30 -3.922 10.139 -5.342 216 HD3 LYS 30 HD1 LYS 30 -3.116 10.969 -6.668 217 HE2 LYS 30 HE2 LYS 30 -3.479 13.136 -5.544 218 HE3 LYS 30 HE1 LYS 30 -4.268 12.308 -4.203 219 HZ1 LYS 30 HZ1 LYS 30 -1.469 11.861 -5.090 220 HZ2 LYS 30 HZ2 LYS 30 -2.231 11.104 -3.774 221 HZ3 LYS 30 HZ3 LYS 30 -1.933 12.777 -3.742 222 H LYS 31 HN LYS 31 -3.615 7.741 -8.881 223 HA LYS 31 HA LYS 31 -4.825 6.807 -11.284 224 HB2 LYS 31 HB2 LYS 31 -3.212 5.378 -9.173 225 HB3 LYS 31 HB1 LYS 31 -3.660 4.699 -10.735 226 HG2 LYS 31 HG2 LYS 31 -2.141 7.299 -10.465 227 HG3 LYS 31 HG1 LYS 31 -1.328 5.736 -10.633 228 HD2 LYS 31 HD2 LYS 31 -2.572 5.381 -12.780 229 HD3 LYS 31 HD1 LYS 31 -3.256 6.999 -12.619 230 HE2 LYS 31 HE2 LYS 31 -0.999 7.963 -12.609 231 HE3 LYS 31 HE1 LYS 31 -0.302 6.353 -12.784 232 HZ1 LYS 31 HZ1 LYS 31 -1.839 7.936 -14.726 233 HZ2 LYS 31 HZ2 LYS 31 -1.875 6.239 -14.818 234 HZ3 LYS 31 HZ3 LYS 31 -0.399 7.070 -14.950 235 H LYS 32 HN LYS 32 -5.395 6.141 -7.873 236 HA LYS 32 HA LYS 32 -7.902 4.766 -8.637 237 HB2 LYS 32 HB2 LYS 32 -5.940 3.760 -6.557 238 HB3 LYS 32 HB1 LYS 32 -7.453 2.994 -7.028 239 HG2 LYS 32 HG2 LYS 32 -5.194 3.508 -8.988 240 HG3 LYS 32 HG1 LYS 32 -5.384 1.990 -8.120 241 HD2 LYS 32 HD2 LYS 32 -7.601 1.659 -9.129 242 HD3 LYS 32 HD1 LYS 32 -7.476 3.207 -9.962 243 HE2 LYS 32 HE2 LYS 32 -5.492 2.419 -11.159 244 HE3 LYS 32 HE1 LYS 32 -5.607 0.854 -10.344 245 HZ1 LYS 32 HZ1 LYS 32 -6.624 0.825 -12.558 246 HZ2 LYS 32 HZ2 LYS 32 -7.710 2.041 -12.078 247 HZ3 LYS 32 HZ3 LYS 32 -7.765 0.509 -11.344 248 H GLN 33 HN GLN 33 -9.570 4.820 -7.122 249 HA GLN 33 HA GLN 33 -9.183 6.277 -4.639 250 HB2 GLN 33 HB2 GLN 33 -10.997 7.897 -5.118 251 HB3 GLN 33 HB1 GLN 33 -9.616 8.100 -6.194 252 HG2 GLN 33 HG2 GLN 33 -10.834 6.704 -7.905 253 HG3 GLN 33 HG1 GLN 33 -12.243 6.731 -6.847 254 HE21 GLN 33 HE21 GLN 33 -11.004 8.275 -9.503 255 HE22 GLN 33 HE22 GLN 33 -11.732 9.796 -9.305 256 H ALA 34 HN ALA 34 -11.478 4.741 -6.835 257 HA ALA 34 HA ALA 34 -13.508 4.199 -4.934 258 HB1 ALA 34 HB1 ALA 34 -13.645 4.093 -7.499 259 HB2 ALA 34 HB2 ALA 34 -14.511 2.856 -6.589 260 HB3 ALA 34 HB3 ALA 34 -12.963 2.476 -7.341 261 H ASN 35 HN ASN 35 -13.905 2.492 -3.608 262 HA ASN 35 HA ASN 35 -11.658 0.806 -2.882 263 HB2 ASN 35 HB2 ASN 35 -14.476 0.935 -1.789 264 HB3 ASN 35 HB1 ASN 35 -13.174 -0.033 -1.113 265 HD21 ASN 35 HD21 ASN 35 -13.021 1.142 0.897 266 HD22 ASN 35 HD22 ASN 35 -12.480 2.749 0.966 267 HA PRO 36 HA PRO 36 -12.848 -2.760 -5.263 268 HB2 PRO 36 HB2 PRO 36 -11.835 -4.802 -3.824 269 HB3 PRO 36 HB1 PRO 36 -10.794 -3.631 -4.664 270 HG2 PRO 36 HG2 PRO 36 -11.545 -3.761 -1.789 271 HG3 PRO 36 HG1 PRO 36 -9.972 -3.423 -2.530 272 HD2 PRO 36 HD2 PRO 36 -11.602 -1.463 -1.579 273 HD3 PRO 36 HD1 PRO 36 -10.461 -1.208 -2.912 274 H TYR 37 HN TYR 37 -13.787 -2.540 -1.929 275 HA TYR 37 HA TYR 37 -15.481 -4.775 -1.698 276 HB2 TYR 37 HB2 TYR 37 -14.536 -3.537 0.204 277 HB3 TYR 37 HB1 TYR 37 -15.499 -2.131 -0.226 278 HD1 TYR 37 HD1 TYR 37 -15.718 -5.698 0.855 279 HD2 TYR 37 HD2 TYR 37 -17.790 -1.956 0.453 280 HE1 TYR 37 HE1 TYR 37 -17.617 -6.605 2.172 281 HE2 TYR 37 HE2 TYR 37 -19.685 -2.863 1.767 282 HH TYR 37 HH TYR 37 -19.524 -5.433 3.687 283 H ARG 38 HN ARG 38 -17.527 -5.127 -2.325 284 HA ARG 38 HA ARG 38 -19.257 -2.875 -3.071 285 HB2 ARG 38 HB2 ARG 38 -18.243 -3.747 -5.171 286 HB3 ARG 38 HB1 ARG 38 -18.925 -5.334 -4.803 287 HG2 ARG 38 HG2 ARG 38 -21.193 -4.405 -4.867 288 HG3 ARG 38 HG1 ARG 38 -20.548 -2.790 -5.154 289 HD2 ARG 38 HD2 ARG 38 -19.552 -3.561 -7.273 290 HD3 ARG 38 HD1 ARG 38 -20.191 -5.176 -6.987 291 HE ARG 38 HE ARG 38 -21.705 -2.830 -7.836 292 HH11 ARG 38 HH11 ARG 38 -21.862 -6.088 -6.530 293 HH12 ARG 38 HH12 ARG 38 -23.508 -6.334 -7.007 294 HH21 ARG 38 HH21 ARG 38 -23.859 -3.195 -8.440 295 HH22 ARG 38 HH22 ARG 38 -24.632 -4.700 -8.071 296 H ARG 39 HN ARG 39 -21.352 -3.134 -2.579 297 HA ARG 39 HA ARG 39 -22.414 -5.726 -1.859 298 HB2 ARG 39 HB2 ARG 39 -21.237 -4.901 0.198 299 HB3 ARG 39 HB1 ARG 39 -22.361 -3.543 0.229 300 HG2 ARG 39 HG2 ARG 39 -24.270 -5.080 0.375 301 HG3 ARG 39 HG1 ARG 39 -23.182 -6.466 0.299 302 HD2 ARG 39 HD2 ARG 39 -22.098 -5.714 2.395 303 HD3 ARG 39 HD1 ARG 39 -23.213 -4.354 2.473 304 HE ARG 39 HE ARG 39 -24.728 -6.726 2.269 305 HH11 ARG 39 HH11 ARG 39 -22.614 -5.142 4.587 306 HH12 ARG 39 HH12 ARG 39 -23.386 -5.856 5.962 307 HH21 ARG 39 HH21 ARG 39 -25.708 -7.635 4.095 308 HH22 ARG 39 HH22 ARG 39 -25.126 -7.261 5.682 309 H GLY 40 HN GLY 40 -24.640 -5.813 -1.969 310 HA2 GLY 40 HA2 GLY 40 -25.967 -3.374 -2.966 311 HA3 GLY 40 HA1 GLY 40 -26.485 -5.024 -3.312 312 H CYS 41 HN CYS 41 -27.959 -2.721 -2.146 313 HA CYS 41 HA CYS 41 -28.409 -3.082 0.626 314 HB2 CYS 41 HB2 CYS 41 -29.063 -1.045 -0.568 315 HB3 CYS 41 HB1 CYS 41 -30.237 -1.957 -1.510 316 H GLY 42 HN GLY 42 -29.509 -4.594 1.719 317 HA2 GLY 42 HA2 GLY 42 -31.684 -6.088 0.438 318 HA3 GLY 42 HA1 GLY 42 -30.318 -7.023 1.022 319 H VAL 43 HN VAL 43 -31.071 -4.202 2.860 320 HA VAL 43 HA VAL 43 -31.604 -5.676 5.230 321 HB VAL 43 HB VAL 43 -32.140 -3.472 6.232 322 HG11 VAL 43 HG11 VAL 43 -29.825 -4.120 6.182 323 HG12 VAL 43 HG12 VAL 43 -29.897 -2.421 5.713 324 HG13 VAL 43 HG13 VAL 43 -29.677 -3.667 4.484 325 HG21 VAL 43 HG21 VAL 43 -33.212 -2.532 4.130 326 HG22 VAL 43 HG22 VAL 43 -31.590 -2.350 3.465 327 HG23 VAL 43 HG23 VAL 43 -32.058 -1.445 4.904 328 H LEU 44 HN LEU 44 -33.670 -4.288 2.784 329 HA LEU 44 HA LEU 44 -35.905 -4.445 2.346 330 HB2 LEU 44 HB2 LEU 44 -35.754 -6.680 4.379 331 HB3 LEU 44 HB1 LEU 44 -37.187 -6.312 3.422 332 HG LEU 44 HG LEU 44 -34.475 -6.882 2.181 333 HD11 LEU 44 HD11 LEU 44 -36.818 -8.785 2.469 334 HD12 LEU 44 HD12 LEU 44 -35.403 -8.817 3.519 335 HD13 LEU 44 HD13 LEU 44 -35.229 -9.147 1.795 336 HD21 LEU 44 HD21 LEU 44 -37.321 -6.693 1.126 337 HD22 LEU 44 HD22 LEU 44 -36.003 -7.403 0.192 338 HD23 LEU 44 HD23 LEU 44 -35.936 -5.705 0.659 339 H GLU 45 HN GLU 45 -34.772 -3.159 5.129 340 HA GLU 45 HA GLU 45 -37.103 -2.818 6.729 341 HB2 GLU 45 HB2 GLU 45 -34.547 -1.236 6.493 342 HB3 GLU 45 HB1 GLU 45 -35.801 -0.877 7.681 343 HG2 GLU 45 HG2 GLU 45 -35.604 -3.163 8.586 344 HG3 GLU 45 HG1 GLU 45 -34.350 -3.526 7.403 345 H GLY 46 HN GLY 46 -35.704 -1.075 4.032 346 HA2 GLY 46 HA2 GLY 46 -38.073 0.068 3.105 347 HA3 GLY 46 HA1 GLY 46 -37.273 1.269 4.123 348 H CYS 47 HN CYS 47 -34.636 0.840 3.624 349 HA CYS 47 HA CYS 47 -33.004 1.620 2.221 350 HB2 CYS 47 HB2 CYS 47 -33.602 -0.862 1.522 351 HB3 CYS 47 HB1 CYS 47 -34.128 -0.077 0.029 352 H HIS 48 HN HIS 48 -34.587 3.617 2.325 353 HA HIS 48 HA HIS 48 -34.588 4.736 -0.341 354 HB2 HIS 48 HB2 HIS 48 -36.944 5.473 -0.288 355 HB3 HIS 48 HB1 HIS 48 -36.804 3.720 -0.303 356 HD2 HIS 48 HD2 HIS 48 -38.395 6.470 1.871 357 HE1 HIS 48 HE1 HIS 48 -38.500 2.929 4.169 358 HE2 HIS 48 HE2 HIS 48 -39.338 5.323 4.020 359 H ARG 49 HN ARG 49 -35.070 7.068 -0.345 360 HA ARG 49 HA ARG 49 -33.913 8.278 2.032 361 HB2 ARG 49 HB2 ARG 49 -33.182 8.734 -0.415 362 HB3 ARG 49 HB1 ARG 49 -34.623 9.744 -0.504 363 HG2 ARG 49 HG2 ARG 49 -33.835 11.101 1.370 364 HG3 ARG 49 HG1 ARG 49 -32.428 10.054 1.567 365 HD2 ARG 49 HD2 ARG 49 -31.713 10.626 -0.748 366 HD3 ARG 49 HD1 ARG 49 -33.071 11.740 -0.870 367 HE ARG 49 HE ARG 49 -31.920 13.238 0.511 368 HH11 ARG 49 HH11 ARG 49 -30.278 10.132 0.539 369 HH12 ARG 49 HH12 ARG 49 -28.876 10.739 1.354 370 HH21 ARG 49 HH21 ARG 49 -30.057 13.996 1.553 371 HH22 ARG 49 HH22 ARG 49 -28.757 12.916 1.929 372 H GLU 50 HN GLU 50 -36.670 8.937 -0.136 373 HA GLU 50 HA GLU 50 -38.341 9.635 2.154 374 HB2 GLU 50 HB2 GLU 50 -38.008 11.567 -0.162 375 HB3 GLU 50 HB1 GLU 50 -39.092 11.752 1.202 376 HG2 GLU 50 HG2 GLU 50 -36.068 11.607 1.444 377 HG3 GLU 50 HG1 GLU 50 -37.013 13.093 1.507 378 H THR 51 HN THR 51 -40.610 10.470 0.955 379 HA THR 51 HA THR 51 -41.241 8.469 -1.084 380 HB THR 51 HB THR 51 -42.941 9.355 1.254 381 HG1 THR 51 HG1 THR 51 -41.675 7.901 2.145 382 HG21 THR 51 HG21 THR 51 -43.456 7.223 -0.848 383 HG22 THR 51 HG22 THR 51 -44.232 8.806 -0.811 384 HG23 THR 51 HG23 THR 51 -44.533 7.647 0.482 385 H GLY 52 HN GLY 52 -41.880 9.465 -2.854 386 HA2 GLY 52 HA2 GLY 52 -43.475 10.858 -3.920 387 HA3 GLY 52 HA1 GLY 52 -43.298 12.044 -2.648 388 HA PRO 53 HA PRO 53 -39.756 12.489 -6.011 389 HB2 PRO 53 HB2 PRO 53 -40.853 13.398 -8.307 390 HB3 PRO 53 HB1 PRO 53 -40.649 11.663 -7.975 391 HG2 PRO 53 HG2 PRO 53 -43.091 13.356 -7.700 392 HG3 PRO 53 HG1 PRO 53 -42.914 11.736 -8.403 393 HD2 PRO 53 HD2 PRO 53 -43.853 12.109 -5.885 394 HD3 PRO 53 HD1 PRO 53 -42.897 10.677 -6.339 395 H LYS 54 HN LYS 54 -38.796 14.527 -6.477 396 HA LYS 54 HA LYS 54 -40.433 16.926 -5.950 397 HB2 LYS 54 HB2 LYS 54 -37.674 16.387 -4.810 398 HB3 LYS 54 HB1 LYS 54 -38.556 17.905 -4.661 399 HG2 LYS 54 HG2 LYS 54 -40.384 16.713 -3.487 400 HG3 LYS 54 HG1 LYS 54 -39.473 15.209 -3.603 401 HD2 LYS 54 HD2 LYS 54 -39.008 16.056 -1.418 402 HD3 LYS 54 HD1 LYS 54 -37.579 16.436 -2.378 403 HE2 LYS 54 HE2 LYS 54 -38.381 18.726 -2.728 404 HE3 LYS 54 HE1 LYS 54 -39.866 18.361 -1.852 405 HZ1 LYS 54 HZ1 LYS 54 -38.414 19.427 -0.346 406 HZ2 LYS 54 HZ2 LYS 54 -37.106 18.429 -0.774 407 HZ3 LYS 54 HZ3 LYS 54 -38.426 17.788 0.085 408 HA PRO 55 HA PRO 55 -37.940 17.236 -9.966 409 HB2 PRO 55 HB2 PRO 55 -39.959 18.153 -11.532 410 HB3 PRO 55 HB1 PRO 55 -39.687 16.421 -11.230 411 HG2 PRO 55 HG2 PRO 55 -41.608 18.287 -9.913 412 HG3 PRO 55 HG1 PRO 55 -41.885 16.657 -10.556 413 HD2 PRO 55 HD2 PRO 55 -41.516 17.051 -7.920 414 HD3 PRO 55 HD1 PRO 55 -40.860 15.610 -8.738 415 H THR 56 HN THR 56 -40.082 19.389 -8.222 416 HA THR 56 HA THR 56 -39.757 21.810 -9.505 417 HB THR 56 HB THR 56 -39.786 21.525 -6.497 418 HG1 THR 56 HG1 THR 56 -42.001 21.553 -8.257 419 HG21 THR 56 HG21 THR 56 -41.034 23.579 -8.335 420 HG22 THR 56 HG22 THR 56 -39.483 23.793 -7.520 421 HG23 THR 56 HG23 THR 56 -40.962 23.633 -6.573 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 -33.262 29.927 10.280 2 H2 GLU 1 HT2 GLU 1 -32.312 29.244 9.048 3 H3 GLU 1 HT3 GLU 1 -33.238 28.246 10.063 4 HA GLU 1 HA GLU 1 -35.271 29.264 9.203 5 HB2 GLU 1 HB2 GLU 1 -35.092 30.639 7.132 6 HB3 GLU 1 HB1 GLU 1 -34.349 31.424 8.524 7 HG2 GLU 1 HG2 GLU 1 -32.545 29.719 6.831 8 HG3 GLU 1 HG1 GLU 1 -33.109 31.226 6.133 9 H ALA 2 HN ALA 2 -32.392 27.814 7.856 10 HA ALA 2 HA ALA 2 -33.993 25.733 6.599 11 HB1 ALA 2 HB1 ALA 2 -32.295 27.661 5.048 12 HB2 ALA 2 HB2 ALA 2 -33.902 27.041 4.673 13 HB3 ALA 2 HB3 ALA 2 -32.490 26.002 4.484 14 H SER 3 HN SER 3 -32.820 23.820 6.151 15 HA SER 3 HA SER 3 -29.993 23.666 6.789 16 HB2 SER 3 HB2 SER 3 -30.235 22.090 8.625 17 HB3 SER 3 HB1 SER 3 -31.064 23.592 9.018 18 HG SER 3 HG SER 3 -32.131 21.101 8.197 19 H VAL 4 HN VAL 4 -29.117 21.492 6.464 20 HA VAL 4 HA VAL 4 -30.805 19.745 4.797 21 HB VAL 4 HB VAL 4 -28.918 19.394 3.232 22 HG11 VAL 4 HG11 VAL 4 -30.705 21.077 2.789 23 HG12 VAL 4 HG12 VAL 4 -29.168 21.497 2.034 24 HG13 VAL 4 HG13 VAL 4 -29.678 22.315 3.512 25 HG21 VAL 4 HG21 VAL 4 -27.103 20.076 4.839 26 HG22 VAL 4 HG22 VAL 4 -27.631 21.749 4.672 27 HG23 VAL 4 HG23 VAL 4 -26.976 20.890 3.280 28 H ARG 5 HN ARG 5 -30.048 17.555 4.617 29 HA ARG 5 HA ARG 5 -28.094 16.717 6.649 30 HB2 ARG 5 HB2 ARG 5 -30.385 16.547 7.626 31 HB3 ARG 5 HB1 ARG 5 -30.822 15.433 6.330 32 HG2 ARG 5 HG2 ARG 5 -28.951 13.934 7.054 33 HG3 ARG 5 HG1 ARG 5 -28.653 15.018 8.414 34 HD2 ARG 5 HD2 ARG 5 -30.058 13.220 9.202 35 HD3 ARG 5 HD1 ARG 5 -31.040 14.679 9.118 36 HE ARG 5 HE ARG 5 -32.289 13.696 7.412 37 HH11 ARG 5 HH11 ARG 5 -29.376 11.801 7.934 38 HH12 ARG 5 HH12 ARG 5 -29.895 10.501 6.913 39 HH21 ARG 5 HH21 ARG 5 -32.922 11.978 6.084 40 HH22 ARG 5 HH22 ARG 5 -31.886 10.604 5.874 41 H TYR 6 HN TYR 6 -26.708 15.253 5.900 42 HA TYR 6 HA TYR 6 -27.453 13.500 3.673 43 HB2 TYR 6 HB2 TYR 6 -26.367 15.529 2.699 44 HB3 TYR 6 HB1 TYR 6 -24.939 15.202 3.676 45 HD1 TYR 6 HD1 TYR 6 -27.171 13.699 1.083 46 HD2 TYR 6 HD2 TYR 6 -23.280 13.678 2.908 47 HE1 TYR 6 HE1 TYR 6 -26.364 12.134 -0.662 48 HE2 TYR 6 HE2 TYR 6 -22.474 12.109 1.156 49 HH TYR 6 HH TYR 6 -24.098 10.256 -0.537 50 H ILE 7 HN ILE 7 -26.701 11.478 3.965 51 HA ILE 7 HA ILE 7 -24.592 11.056 5.993 52 HB ILE 7 HB ILE 7 -26.836 10.533 6.909 53 HG12 ILE 7 HG12 ILE 7 -25.332 7.940 6.438 54 HG13 ILE 7 HG11 ILE 7 -24.687 9.214 7.484 55 HG21 ILE 7 HG21 ILE 7 -26.963 8.332 4.830 56 HG22 ILE 7 HG22 ILE 7 -27.818 9.867 4.670 57 HG23 ILE 7 HG23 ILE 7 -28.208 8.777 6.001 58 HD11 ILE 7 HD11 ILE 7 -25.888 7.689 8.906 59 HD12 ILE 7 HD12 ILE 7 -27.284 7.688 7.825 60 HD13 ILE 7 HD13 ILE 7 -26.887 9.135 8.751 61 H THR 8 HN THR 8 -22.991 9.700 5.489 62 HA THR 8 HA THR 8 -23.250 7.645 3.489 63 HB THR 8 HB THR 8 -22.843 9.504 1.972 64 HG1 THR 8 HG1 THR 8 -20.670 8.793 1.245 65 HG21 THR 8 HG21 THR 8 -21.184 11.126 2.225 66 HG22 THR 8 HG22 THR 8 -20.187 10.101 3.252 67 HG23 THR 8 HG23 THR 8 -21.637 10.860 3.907 68 H TYR 9 HN TYR 9 -22.688 6.306 5.213 69 HA TYR 9 HA TYR 9 -20.321 6.694 6.745 70 HB2 TYR 9 HB2 TYR 9 -20.766 4.420 7.633 71 HB3 TYR 9 HB1 TYR 9 -22.208 5.436 7.665 72 HD1 TYR 9 HD1 TYR 9 -20.562 2.561 6.037 73 HD2 TYR 9 HD2 TYR 9 -24.093 5.006 6.154 74 HE1 TYR 9 HE1 TYR 9 -21.773 0.883 4.667 75 HE2 TYR 9 HE2 TYR 9 -25.301 3.328 4.785 76 HH TYR 9 HH TYR 9 -24.578 0.361 4.463 77 HA PRO 10 HA PRO 10 -17.634 4.636 3.719 78 HB2 PRO 10 HB2 PRO 10 -15.239 5.092 4.900 79 HB3 PRO 10 HB1 PRO 10 -16.161 6.369 4.079 80 HG2 PRO 10 HG2 PRO 10 -15.665 5.966 6.938 81 HG3 PRO 10 HG1 PRO 10 -16.168 7.425 6.075 82 HD2 PRO 10 HD2 PRO 10 -17.836 5.602 7.584 83 HD3 PRO 10 HD1 PRO 10 -18.294 7.104 6.748 84 H ALA 11 HN ALA 11 -15.966 4.039 6.836 85 HA ALA 11 HA ALA 11 -15.203 2.149 7.839 86 HB1 ALA 11 HB1 ALA 11 -17.700 0.721 7.031 87 HB2 ALA 11 HB2 ALA 11 -17.813 2.130 8.085 88 HB3 ALA 11 HB3 ALA 11 -16.859 0.733 8.582 89 H ILE 12 HN ILE 12 -14.882 2.395 4.756 90 HA ILE 12 HA ILE 12 -13.449 -0.013 4.481 91 HB ILE 12 HB ILE 12 -14.789 -0.629 2.250 92 HG12 ILE 12 HG12 ILE 12 -17.118 0.046 4.071 93 HG13 ILE 12 HG11 ILE 12 -16.562 1.192 2.852 94 HG21 ILE 12 HG21 ILE 12 -15.962 -1.739 4.795 95 HG22 ILE 12 HG22 ILE 12 -14.263 -2.012 4.411 96 HG23 ILE 12 HG23 ILE 12 -15.515 -2.571 3.309 97 HD11 ILE 12 HD11 ILE 12 -18.423 -0.273 2.030 98 HD12 ILE 12 HD12 ILE 12 -17.378 -1.671 2.271 99 HD13 ILE 12 HD13 ILE 12 -16.948 -0.445 1.081 100 H ASP 13 HN ASP 13 -15.055 1.672 1.793 101 HA ASP 13 HA ASP 13 -12.703 1.965 0.291 102 HB2 ASP 13 HB2 ASP 13 -15.355 3.410 0.171 103 HB3 ASP 13 HB1 ASP 13 -14.069 3.682 -0.999 104 H ARG 14 HN ARG 14 -14.371 4.138 2.498 105 HA ARG 14 HA ARG 14 -13.766 6.146 3.467 106 HB2 ARG 14 HB2 ARG 14 -11.054 4.809 3.304 107 HB3 ARG 14 HB1 ARG 14 -11.479 6.148 4.366 108 HG2 ARG 14 HG2 ARG 14 -13.253 4.696 5.398 109 HG3 ARG 14 HG1 ARG 14 -12.686 3.349 4.410 110 HD2 ARG 14 HD2 ARG 14 -11.640 3.166 6.574 111 HD3 ARG 14 HD1 ARG 14 -10.403 3.668 5.424 112 HE ARG 14 HE ARG 14 -10.262 5.721 6.529 113 HH11 ARG 14 HH11 ARG 14 -13.092 3.981 7.682 114 HH12 ARG 14 HH12 ARG 14 -13.402 5.098 8.967 115 HH21 ARG 14 HH21 ARG 14 -10.722 7.166 8.209 116 HH22 ARG 14 HH22 ARG 14 -12.069 6.887 9.263 117 H GLY 15 HN GLY 15 -13.698 6.038 0.468 118 HA2 GLY 15 HA2 GLY 15 -11.450 7.635 -0.335 119 HA3 GLY 15 HA1 GLY 15 -12.789 7.126 -1.362 120 H ASP 16 HN ASP 16 -11.730 9.613 -1.564 121 HA ASP 16 HA ASP 16 -12.992 11.667 -0.087 122 HB2 ASP 16 HB2 ASP 16 -11.756 11.600 -2.841 123 HB3 ASP 16 HB1 ASP 16 -12.418 13.071 -2.136 124 H HIS 17 HN HIS 17 -13.975 9.806 -2.899 125 HA HIS 17 HA HIS 17 -16.033 9.461 -3.854 126 HB2 HIS 17 HB2 HIS 17 -17.189 11.554 -1.965 127 HB3 HIS 17 HB1 HIS 17 -18.086 10.426 -2.965 128 HD2 HIS 17 HD2 HIS 17 -16.684 10.552 0.568 129 HE1 HIS 17 HE1 HIS 17 -17.282 6.459 -0.273 130 HE2 HIS 17 HE2 HIS 17 -16.789 8.141 1.565 131 H ALA 18 HN ALA 18 -15.706 12.931 -3.068 132 HA ALA 18 HA ALA 18 -16.302 13.551 -5.895 133 HB1 ALA 18 HB1 ALA 18 -16.255 15.477 -3.566 134 HB2 ALA 18 HB2 ALA 18 -17.700 14.609 -4.082 135 HB3 ALA 18 HB3 ALA 18 -16.919 15.746 -5.178 136 H VAL 19 HN VAL 19 -14.379 13.374 -6.933 137 HA VAL 19 HA VAL 19 -12.376 15.397 -6.344 138 HB VAL 19 HB VAL 19 -11.645 13.476 -4.979 139 HG11 VAL 19 HG11 VAL 19 -11.379 11.967 -7.591 140 HG12 VAL 19 HG12 VAL 19 -12.692 11.722 -6.439 141 HG13 VAL 19 HG13 VAL 19 -11.030 11.361 -5.971 142 HG21 VAL 19 HG21 VAL 19 -9.345 13.235 -5.981 143 HG22 VAL 19 HG22 VAL 19 -9.898 14.908 -5.893 144 HG23 VAL 19 HG23 VAL 19 -9.942 14.046 -7.429 145 H HIS 20 HN HIS 20 -11.234 16.065 -8.124 146 HA HIS 20 HA HIS 20 -11.657 14.628 -10.668 147 HB2 HIS 20 HB2 HIS 20 -11.941 17.624 -10.290 148 HB3 HIS 20 HB1 HIS 20 -11.977 16.782 -11.837 149 HD2 HIS 20 HD2 HIS 20 -14.448 17.855 -9.156 150 HE1 HIS 20 HE1 HIS 20 -16.364 14.751 -11.281 151 HE2 HIS 20 HE2 HIS 20 -16.701 16.612 -9.583 152 H CYS 21 HN CYS 21 -10.017 14.881 -12.227 153 HA CYS 21 HA CYS 21 -7.386 15.199 -11.151 154 HB2 CYS 21 HB2 CYS 21 -8.377 14.779 -13.973 155 HB3 CYS 21 HB1 CYS 21 -6.668 14.809 -13.530 156 H ASP 22 HN ASP 22 -5.746 16.686 -11.772 157 HA ASP 22 HA ASP 22 -6.711 19.373 -12.026 158 HB2 ASP 22 HB2 ASP 22 -3.945 18.157 -12.001 159 HB3 ASP 22 HB1 ASP 22 -4.259 19.887 -12.027 160 H LYS 23 HN LYS 23 -6.806 20.599 -13.753 161 HA LYS 23 HA LYS 23 -6.642 19.443 -16.361 162 HB2 LYS 23 HB2 LYS 23 -7.084 22.263 -15.372 163 HB3 LYS 23 HB1 LYS 23 -7.157 21.813 -17.077 164 HG2 LYS 23 HG2 LYS 23 -9.093 20.523 -16.817 165 HG3 LYS 23 HG1 LYS 23 -8.805 20.216 -15.107 166 HD2 LYS 23 HD2 LYS 23 -9.353 22.495 -14.549 167 HD3 LYS 23 HD1 LYS 23 -9.567 22.914 -16.258 168 HE2 LYS 23 HE2 LYS 23 -11.439 21.353 -16.438 169 HE3 LYS 23 HE1 LYS 23 -11.182 20.805 -14.783 170 HZ1 LYS 23 HZ1 LYS 23 -11.606 23.669 -15.279 171 HZ2 LYS 23 HZ2 LYS 23 -11.998 22.740 -13.912 172 HZ3 LYS 23 HZ3 LYS 23 -12.947 22.632 -15.319 173 H ALA 24 HN ALA 24 -4.469 21.233 -14.355 174 HA ALA 24 HA ALA 24 -2.584 21.742 -16.554 175 HB1 ALA 24 HB1 ALA 24 -2.430 22.575 -13.647 176 HB2 ALA 24 HB2 ALA 24 -3.017 23.590 -14.964 177 HB3 ALA 24 HB3 ALA 24 -1.331 23.074 -14.932 178 H HIS 25 HN HIS 25 -3.116 19.755 -13.742 179 HA HIS 25 HA HIS 25 -0.639 18.264 -14.330 180 HB2 HIS 25 HB2 HIS 25 -1.805 18.983 -11.626 181 HB3 HIS 25 HB1 HIS 25 -0.552 17.772 -11.838 182 HD2 HIS 25 HD2 HIS 25 0.880 20.063 -14.243 183 HE1 HIS 25 HE1 HIS 25 1.799 22.036 -10.628 184 HE2 HIS 25 HE2 HIS 25 2.329 21.909 -13.107 185 HA PRO 26 HA PRO 26 -4.557 15.532 -14.189 186 HB2 PRO 26 HB2 PRO 26 -4.749 14.832 -16.794 187 HB3 PRO 26 HB1 PRO 26 -5.494 16.307 -16.141 188 HG2 PRO 26 HG2 PRO 26 -2.929 15.997 -17.612 189 HG3 PRO 26 HG1 PRO 26 -4.222 17.188 -17.853 190 HD2 PRO 26 HD2 PRO 26 -1.980 17.795 -16.461 191 HD3 PRO 26 HD1 PRO 26 -3.565 18.481 -16.038 192 H ASN 27 HN ASN 27 -1.435 15.388 -15.730 193 HA ASN 27 HA ASN 27 -1.182 12.598 -16.104 194 HB2 ASN 27 HB2 ASN 27 0.862 14.793 -15.778 195 HB3 ASN 27 HB1 ASN 27 1.306 13.114 -16.071 196 HD21 ASN 27 HD21 ASN 27 1.914 15.219 -17.941 197 HD22 ASN 27 HD22 ASN 27 1.025 14.943 -19.359 198 H THR 28 HN THR 28 -0.614 14.709 -13.329 199 HA THR 28 HA THR 28 0.664 12.614 -11.771 200 HB THR 28 HB THR 28 0.700 14.299 -9.968 201 HG1 THR 28 HG1 THR 28 -0.741 15.805 -11.881 202 HG21 THR 28 HG21 THR 28 2.068 16.030 -11.211 203 HG22 THR 28 HG22 THR 28 1.618 15.204 -12.702 204 HG23 THR 28 HG23 THR 28 2.563 14.359 -11.477 205 H CYS 29 HN CYS 29 -2.523 13.754 -12.404 206 HA CYS 29 HA CYS 29 -3.768 13.061 -10.017 207 HB2 CYS 29 HB2 CYS 29 -4.914 14.465 -11.602 208 HB3 CYS 29 HB1 CYS 29 -4.873 13.190 -12.821 209 H LYS 30 HN LYS 30 -4.755 11.254 -9.312 210 HA LYS 30 HA LYS 30 -3.562 8.796 -9.900 211 HB2 LYS 30 HB2 LYS 30 -6.206 9.301 -8.502 212 HB3 LYS 30 HB1 LYS 30 -5.236 7.834 -8.398 213 HG2 LYS 30 HG2 LYS 30 -4.254 10.574 -7.552 214 HG3 LYS 30 HG1 LYS 30 -4.927 9.400 -6.433 215 HD2 LYS 30 HD2 LYS 30 -3.125 7.797 -7.120 216 HD3 LYS 30 HD1 LYS 30 -2.438 9.056 -8.141 217 HE2 LYS 30 HE2 LYS 30 -2.139 10.506 -6.171 218 HE3 LYS 30 HE1 LYS 30 -2.823 9.250 -5.139 219 HZ1 LYS 30 HZ1 LYS 30 -0.263 9.446 -5.433 220 HZ2 LYS 30 HZ2 LYS 30 -0.548 8.599 -6.879 221 HZ3 LYS 30 HZ3 LYS 30 -0.992 7.917 -5.388 222 H LYS 31 HN LYS 31 -4.225 7.018 -11.019 223 HA LYS 31 HA LYS 31 -6.622 7.265 -12.721 224 HB2 LYS 31 HB2 LYS 31 -3.923 6.230 -13.637 225 HB3 LYS 31 HB1 LYS 31 -5.398 6.243 -14.598 226 HG2 LYS 31 HG2 LYS 31 -4.153 8.741 -13.442 227 HG3 LYS 31 HG1 LYS 31 -3.822 8.166 -15.075 228 HD2 LYS 31 HD2 LYS 31 -6.261 8.301 -15.578 229 HD3 LYS 31 HD1 LYS 31 -6.541 8.952 -13.963 230 HE2 LYS 31 HE2 LYS 31 -5.047 10.845 -14.464 231 HE3 LYS 31 HE1 LYS 31 -4.778 10.207 -16.083 232 HZ1 LYS 31 HZ1 LYS 31 -6.928 10.667 -16.724 233 HZ2 LYS 31 HZ2 LYS 31 -6.583 11.992 -15.716 234 HZ3 LYS 31 HZ3 LYS 31 -7.522 10.699 -15.137 235 H LYS 32 HN LYS 32 -7.576 5.329 -13.388 236 HA LYS 32 HA LYS 32 -6.823 2.962 -11.766 237 HB2 LYS 32 HB2 LYS 32 -9.660 3.918 -12.263 238 HB3 LYS 32 HB1 LYS 32 -9.168 2.546 -11.278 239 HG2 LYS 32 HG2 LYS 32 -8.356 5.412 -10.695 240 HG3 LYS 32 HG1 LYS 32 -9.698 4.597 -9.907 241 HD2 LYS 32 HD2 LYS 32 -8.157 2.913 -8.984 242 HD3 LYS 32 HD1 LYS 32 -6.801 3.682 -9.809 243 HE2 LYS 32 HE2 LYS 32 -7.222 5.755 -8.583 244 HE3 LYS 32 HE1 LYS 32 -8.559 4.987 -7.721 245 HZ1 LYS 32 HZ1 LYS 32 -6.785 3.234 -7.112 246 HZ2 LYS 32 HZ2 LYS 32 -6.798 4.711 -6.272 247 HZ3 LYS 32 HZ3 LYS 32 -5.666 4.444 -7.511 248 H GLN 33 HN GLN 33 -7.325 0.942 -12.619 249 HA GLN 33 HA GLN 33 -8.455 0.757 -15.287 250 HB2 GLN 33 HB2 GLN 33 -6.521 -0.290 -16.314 251 HB3 GLN 33 HB1 GLN 33 -6.013 1.255 -15.640 252 HG2 GLN 33 HG2 GLN 33 -5.408 -0.201 -13.511 253 HG3 GLN 33 HG1 GLN 33 -5.421 -1.524 -14.663 254 HE21 GLN 33 HE21 GLN 33 -3.455 -1.917 -15.660 255 HE22 GLN 33 HE22 GLN 33 -2.235 -0.760 -15.894 256 H ALA 34 HN ALA 34 -8.423 -1.634 -16.009 257 HA ALA 34 HA ALA 34 -9.433 -3.189 -13.777 258 HB1 ALA 34 HB1 ALA 34 -10.854 -3.401 -15.623 259 HB2 ALA 34 HB2 ALA 34 -9.889 -4.874 -15.715 260 HB3 ALA 34 HB3 ALA 34 -9.513 -3.507 -16.763 261 H ASN 35 HN ASN 35 -8.449 -4.840 -12.814 262 HA ASN 35 HA ASN 35 -5.675 -5.373 -13.339 263 HB2 ASN 35 HB2 ASN 35 -7.643 -6.706 -11.472 264 HB3 ASN 35 HB1 ASN 35 -5.914 -7.032 -11.505 265 HD21 ASN 35 HD21 ASN 35 -7.770 -5.637 -9.430 266 HD22 ASN 35 HD22 ASN 35 -6.953 -4.191 -9.082 267 HA PRO 36 HA PRO 36 -6.053 -8.790 -16.137 268 HB2 PRO 36 HB2 PRO 36 -3.881 -10.293 -15.567 269 HB3 PRO 36 HB1 PRO 36 -3.755 -8.698 -16.341 270 HG2 PRO 36 HG2 PRO 36 -3.335 -9.452 -13.497 271 HG3 PRO 36 HG1 PRO 36 -2.399 -8.351 -14.524 272 HD2 PRO 36 HD2 PRO 36 -4.230 -7.473 -12.711 273 HD3 PRO 36 HD1 PRO 36 -3.845 -6.586 -14.196 274 H TYR 37 HN TYR 37 -5.749 -9.424 -12.730 275 HA TYR 37 HA TYR 37 -6.263 -12.192 -12.652 276 HB2 TYR 37 HB2 TYR 37 -5.287 -10.887 -10.800 277 HB3 TYR 37 HB1 TYR 37 -6.810 -10.032 -10.600 278 HD1 TYR 37 HD1 TYR 37 -5.257 -13.431 -10.489 279 HD2 TYR 37 HD2 TYR 37 -8.580 -10.980 -9.303 280 HE1 TYR 37 HE1 TYR 37 -6.078 -15.255 -9.024 281 HE2 TYR 37 HE2 TYR 37 -9.400 -12.806 -7.837 282 HH TYR 37 HH TYR 37 -8.217 -14.848 -6.616 283 H ARG 38 HN ARG 38 -8.105 -13.325 -12.884 284 HA ARG 38 HA ARG 38 -10.286 -13.876 -13.220 285 HB2 ARG 38 HB2 ARG 38 -10.478 -12.898 -10.914 286 HB3 ARG 38 HB1 ARG 38 -10.985 -11.383 -11.665 287 HG2 ARG 38 HG2 ARG 38 -12.829 -12.595 -12.790 288 HG3 ARG 38 HG1 ARG 38 -12.347 -14.075 -11.963 289 HD2 ARG 38 HD2 ARG 38 -12.731 -12.996 -9.780 290 HD3 ARG 38 HD1 ARG 38 -13.207 -11.510 -10.597 291 HE ARG 38 HE ARG 38 -15.269 -12.488 -11.098 292 HH11 ARG 38 HH11 ARG 38 -13.083 -14.958 -9.896 293 HH12 ARG 38 HH12 ARG 38 -14.320 -16.162 -9.767 294 HH21 ARG 38 HH21 ARG 38 -16.849 -14.088 -10.925 295 HH22 ARG 38 HH22 ARG 38 -16.443 -15.669 -10.348 296 H ARG 39 HN ARG 39 -11.833 -13.602 -14.723 297 HA ARG 39 HA ARG 39 -12.418 -11.049 -15.915 298 HB2 ARG 39 HB2 ARG 39 -10.196 -11.943 -16.963 299 HB3 ARG 39 HB1 ARG 39 -11.245 -13.064 -17.825 300 HG2 ARG 39 HG2 ARG 39 -11.914 -10.113 -17.838 301 HG3 ARG 39 HG1 ARG 39 -10.645 -10.712 -18.899 302 HD2 ARG 39 HD2 ARG 39 -13.489 -11.769 -18.828 303 HD3 ARG 39 HD1 ARG 39 -12.842 -10.674 -20.041 304 HE ARG 39 HE ARG 39 -12.348 -13.532 -19.833 305 HH11 ARG 39 HH11 ARG 39 -11.167 -10.494 -21.157 306 HH12 ARG 39 HH12 ARG 39 -10.274 -11.262 -22.429 307 HH21 ARG 39 HH21 ARG 39 -11.188 -14.483 -21.523 308 HH22 ARG 39 HH22 ARG 39 -10.288 -13.504 -22.631 309 H GLY 40 HN GLY 40 -14.481 -11.062 -16.523 310 HA2 GLY 40 HA2 GLY 40 -15.841 -13.660 -16.895 311 HA3 GLY 40 HA1 GLY 40 -16.619 -12.178 -16.347 312 H CYS 41 HN CYS 41 -17.332 -13.934 -18.584 313 HA CYS 41 HA CYS 41 -16.615 -12.815 -21.080 314 HB2 CYS 41 HB2 CYS 41 -17.638 -15.038 -20.865 315 HB3 CYS 41 HB1 CYS 41 -19.125 -14.304 -20.272 316 H GLY 42 HN GLY 42 -17.155 -10.931 -21.974 317 HA2 GLY 42 HA2 GLY 42 -19.723 -9.649 -21.309 318 HA3 GLY 42 HA1 GLY 42 -18.244 -8.736 -21.046 319 H VAL 43 HN VAL 43 -18.150 -10.890 -23.724 320 HA VAL 43 HA VAL 43 -17.696 -8.838 -25.615 321 HB VAL 43 HB VAL 43 -17.817 -10.647 -27.305 322 HG11 VAL 43 HG11 VAL 43 -16.290 -11.265 -24.761 323 HG12 VAL 43 HG12 VAL 43 -15.722 -10.306 -26.131 324 HG13 VAL 43 HG13 VAL 43 -15.982 -12.041 -26.314 325 HG21 VAL 43 HG21 VAL 43 -18.484 -12.462 -24.959 326 HG22 VAL 43 HG22 VAL 43 -18.317 -12.936 -26.649 327 HG23 VAL 43 HG23 VAL 43 -19.673 -11.927 -26.145 328 H LEU 44 HN LEU 44 -20.592 -10.512 -24.622 329 HA LEU 44 HA LEU 44 -22.814 -10.179 -25.029 330 HB2 LEU 44 HB2 LEU 44 -21.834 -7.566 -26.212 331 HB3 LEU 44 HB1 LEU 44 -23.531 -7.975 -25.977 332 HG LEU 44 HG LEU 44 -21.502 -8.029 -23.725 333 HD11 LEU 44 HD11 LEU 44 -23.515 -5.839 -24.309 334 HD12 LEU 44 HD12 LEU 44 -21.822 -5.740 -24.794 335 HD13 LEU 44 HD13 LEU 44 -22.247 -5.837 -23.084 336 HD21 LEU 44 HD21 LEU 44 -23.655 -7.807 -22.370 337 HD22 LEU 44 HD22 LEU 44 -23.477 -9.340 -23.221 338 HD23 LEU 44 HD23 LEU 44 -24.540 -8.093 -23.870 339 H GLU 45 HN GLU 45 -20.684 -10.888 -27.430 340 HA GLU 45 HA GLU 45 -22.200 -10.565 -29.810 341 HB2 GLU 45 HB2 GLU 45 -20.000 -12.486 -29.057 342 HB3 GLU 45 HB1 GLU 45 -20.700 -12.398 -30.674 343 HG2 GLU 45 HG2 GLU 45 -20.078 -10.022 -30.830 344 HG3 GLU 45 HG1 GLU 45 -19.389 -10.090 -29.207 345 H GLY 46 HN GLY 46 -22.025 -13.066 -27.359 346 HA2 GLY 46 HA2 GLY 46 -24.607 -14.073 -27.723 347 HA3 GLY 46 HA1 GLY 46 -23.505 -15.091 -28.652 348 H CYS 47 HN CYS 47 -21.288 -15.264 -27.176 349 HA CYS 47 HA CYS 47 -20.392 -16.601 -25.532 350 HB2 CYS 47 HB2 CYS 47 -20.986 -14.202 -24.529 351 HB3 CYS 47 HB1 CYS 47 -22.050 -15.167 -23.503 352 H HIS 48 HN HIS 48 -21.865 -18.350 -26.534 353 HA HIS 48 HA HIS 48 -23.160 -20.227 -26.259 354 HB2 HIS 48 HB2 HIS 48 -21.638 -20.440 -24.236 355 HB3 HIS 48 HB1 HIS 48 -22.929 -19.706 -23.286 356 HD2 HIS 48 HD2 HIS 48 -24.644 -21.602 -22.267 357 HE1 HIS 48 HE1 HIS 48 -23.963 -24.646 -25.114 358 HE2 HIS 48 HE2 HIS 48 -25.213 -24.046 -22.985 359 H ARG 49 HN ARG 49 -25.115 -19.671 -27.103 360 HA ARG 49 HA ARG 49 -26.927 -17.817 -26.113 361 HB2 ARG 49 HB2 ARG 49 -28.572 -18.809 -27.577 362 HB3 ARG 49 HB1 ARG 49 -27.010 -18.894 -28.391 363 HG2 ARG 49 HG2 ARG 49 -26.839 -21.259 -27.322 364 HG3 ARG 49 HG1 ARG 49 -28.561 -21.105 -27.046 365 HD2 ARG 49 HD2 ARG 49 -28.960 -20.680 -29.444 366 HD3 ARG 49 HD1 ARG 49 -27.238 -20.854 -29.763 367 HE ARG 49 HE ARG 49 -27.448 -23.176 -29.497 368 HH11 ARG 49 HH11 ARG 49 -30.467 -21.596 -28.622 369 HH12 ARG 49 HH12 ARG 49 -31.366 -23.076 -28.575 370 HH21 ARG 49 HH21 ARG 49 -28.663 -25.083 -29.418 371 HH22 ARG 49 HH22 ARG 49 -30.350 -25.035 -29.023 372 H GLU 50 HN GLU 50 -28.822 -17.969 -24.911 373 HA GLU 50 HA GLU 50 -29.310 -20.384 -23.326 374 HB2 GLU 50 HB2 GLU 50 -28.528 -17.716 -22.324 375 HB3 GLU 50 HB1 GLU 50 -29.411 -18.834 -21.273 376 HG2 GLU 50 HG2 GLU 50 -27.595 -20.490 -21.542 377 HG3 GLU 50 HG1 GLU 50 -26.763 -19.424 -22.664 378 H THR 51 HN THR 51 -31.409 -20.508 -22.475 379 HA THR 51 HA THR 51 -33.237 -18.310 -22.757 380 HB THR 51 HB THR 51 -33.140 -19.123 -25.055 381 HG1 THR 51 HG1 THR 51 -35.408 -19.484 -25.249 382 HG21 THR 51 HG21 THR 51 -33.783 -21.339 -25.690 383 HG22 THR 51 HG22 THR 51 -34.312 -21.729 -24.053 384 HG23 THR 51 HG23 THR 51 -32.594 -21.519 -24.399 385 H GLY 52 HN GLY 52 -35.397 -18.790 -21.948 386 HA2 GLY 52 HA2 GLY 52 -35.720 -21.251 -20.418 387 HA3 GLY 52 HA1 GLY 52 -35.656 -19.745 -19.504 388 HA PRO 53 HA PRO 53 -39.980 -20.563 -21.465 389 HB2 PRO 53 HB2 PRO 53 -41.410 -21.471 -19.347 390 HB3 PRO 53 HB1 PRO 53 -40.486 -22.552 -20.415 391 HG2 PRO 53 HG2 PRO 53 -39.732 -21.458 -17.740 392 HG3 PRO 53 HG1 PRO 53 -39.572 -23.109 -18.368 393 HD2 PRO 53 HD2 PRO 53 -37.475 -21.395 -18.311 394 HD3 PRO 53 HD1 PRO 53 -37.660 -22.616 -19.593 395 H LYS 54 HN LYS 54 -41.719 -19.115 -21.299 396 HA LYS 54 HA LYS 54 -41.705 -17.213 -19.049 397 HB2 LYS 54 HB2 LYS 54 -41.949 -16.463 -21.980 398 HB3 LYS 54 HB1 LYS 54 -42.157 -15.357 -20.626 399 HG2 LYS 54 HG2 LYS 54 -39.707 -16.347 -19.974 400 HG3 LYS 54 HG1 LYS 54 -39.655 -16.599 -21.712 401 HD2 LYS 54 HD2 LYS 54 -38.793 -14.442 -21.592 402 HD3 LYS 54 HD1 LYS 54 -40.500 -14.074 -21.811 403 HE2 LYS 54 HE2 LYS 54 -39.331 -14.382 -19.039 404 HE3 LYS 54 HE1 LYS 54 -39.225 -12.850 -19.904 405 HZ1 LYS 54 HZ1 LYS 54 -41.665 -14.318 -19.092 406 HZ2 LYS 54 HZ2 LYS 54 -41.696 -13.058 -20.235 407 HZ3 LYS 54 HZ3 LYS 54 -41.187 -12.757 -18.643 408 HA PRO 55 HA PRO 55 -45.998 -19.040 -19.782 409 HB2 PRO 55 HB2 PRO 55 -46.636 -19.294 -17.140 410 HB3 PRO 55 HB1 PRO 55 -45.750 -20.540 -18.050 411 HG2 PRO 55 HG2 PRO 55 -44.693 -18.405 -16.253 412 HG3 PRO 55 HG1 PRO 55 -44.293 -20.130 -16.300 413 HD2 PRO 55 HD2 PRO 55 -42.671 -18.334 -17.449 414 HD3 PRO 55 HD1 PRO 55 -42.970 -19.911 -18.223 415 H THR 56 HN THR 56 -44.724 -16.407 -17.856 416 HA THR 56 HA THR 56 -46.974 -15.133 -16.910 417 HB THR 56 HB THR 56 -44.618 -13.662 -18.101 418 HG1 THR 56 HG1 THR 56 -43.442 -14.417 -16.538 419 HG21 THR 56 HG21 THR 56 -46.589 -13.105 -15.877 420 HG22 THR 56 HG22 THR 56 -46.354 -12.186 -17.364 421 HG23 THR 56 HG23 THR 56 -45.111 -12.172 -16.114 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 -16.765 15.982 18.663 2 H2 GLU 1 HT2 GLU 1 -18.294 16.523 18.157 3 H3 GLU 1 HT3 GLU 1 -17.915 14.866 18.115 4 HA GLU 1 HA GLU 1 -18.534 16.575 20.425 5 HB2 GLU 1 HB2 GLU 1 -20.255 15.126 19.291 6 HB3 GLU 1 HB1 GLU 1 -19.280 13.718 19.706 7 HG2 GLU 1 HG2 GLU 1 -21.049 14.019 21.373 8 HG3 GLU 1 HG1 GLU 1 -19.480 14.303 22.117 9 H ALA 2 HN ALA 2 -16.701 16.758 21.625 10 HA ALA 2 HA ALA 2 -14.622 14.915 21.840 11 HB1 ALA 2 HB1 ALA 2 -15.543 17.058 23.764 12 HB2 ALA 2 HB2 ALA 2 -14.276 17.180 22.544 13 HB3 ALA 2 HB3 ALA 2 -14.042 16.150 23.956 14 H SER 3 HN SER 3 -14.130 13.256 23.183 15 HA SER 3 HA SER 3 -15.946 12.500 25.342 16 HB2 SER 3 HB2 SER 3 -16.356 10.278 24.462 17 HB3 SER 3 HB1 SER 3 -16.890 11.477 23.288 18 HG SER 3 HG SER 3 -15.668 10.143 22.096 19 H VAL 4 HN VAL 4 -15.110 10.718 26.634 20 HA VAL 4 HA VAL 4 -12.341 10.990 27.195 21 HB VAL 4 HB VAL 4 -14.391 8.971 28.173 22 HG11 VAL 4 HG11 VAL 4 -11.628 9.583 29.277 23 HG12 VAL 4 HG12 VAL 4 -12.091 8.092 28.460 24 HG13 VAL 4 HG13 VAL 4 -12.812 8.505 30.016 25 HG21 VAL 4 HG21 VAL 4 -14.816 11.370 28.721 26 HG22 VAL 4 HG22 VAL 4 -13.233 11.447 29.493 27 HG23 VAL 4 HG23 VAL 4 -14.488 10.398 30.153 28 H ARG 5 HN ARG 5 -14.258 8.491 25.559 29 HA ARG 5 HA ARG 5 -11.748 7.278 24.568 30 HB2 ARG 5 HB2 ARG 5 -14.285 5.888 25.440 31 HB3 ARG 5 HB1 ARG 5 -12.980 5.092 24.560 32 HG2 ARG 5 HG2 ARG 5 -11.399 5.672 26.348 33 HG3 ARG 5 HG1 ARG 5 -12.687 6.494 27.231 34 HD2 ARG 5 HD2 ARG 5 -13.937 4.380 27.392 35 HD3 ARG 5 HD1 ARG 5 -12.666 3.554 26.498 36 HE ARG 5 HE ARG 5 -11.347 3.566 28.425 37 HH11 ARG 5 HH11 ARG 5 -14.122 5.666 28.911 38 HH12 ARG 5 HH12 ARG 5 -13.819 5.875 30.604 39 HH21 ARG 5 HH21 ARG 5 -10.983 3.878 30.634 40 HH22 ARG 5 HH22 ARG 5 -12.052 4.870 31.568 41 H TYR 6 HN TYR 6 -11.785 6.379 22.474 42 HA TYR 6 HA TYR 6 -14.067 7.155 20.777 43 HB2 TYR 6 HB2 TYR 6 -11.127 7.488 20.114 44 HB3 TYR 6 HB1 TYR 6 -12.464 7.795 19.009 45 HD1 TYR 6 HD1 TYR 6 -10.573 9.033 21.886 46 HD2 TYR 6 HD2 TYR 6 -14.020 9.695 19.407 47 HE1 TYR 6 HE1 TYR 6 -10.765 11.341 22.769 48 HE2 TYR 6 HE2 TYR 6 -14.212 12.005 20.292 49 HH TYR 6 HH TYR 6 -12.422 13.713 21.355 50 H ILE 7 HN ILE 7 -14.453 5.777 19.025 51 HA ILE 7 HA ILE 7 -12.796 3.352 18.881 52 HB ILE 7 HB ILE 7 -14.814 2.851 20.223 53 HG12 ILE 7 HG12 ILE 7 -15.701 0.970 18.686 54 HG13 ILE 7 HG11 ILE 7 -14.571 1.591 17.474 55 HG21 ILE 7 HG21 ILE 7 -17.042 2.884 19.158 56 HG22 ILE 7 HG22 ILE 7 -16.341 3.622 17.719 57 HG23 ILE 7 HG23 ILE 7 -16.347 4.503 19.247 58 HD11 ILE 7 HD11 ILE 7 -13.696 0.857 20.277 59 HD12 ILE 7 HD12 ILE 7 -12.680 1.132 18.862 60 HD13 ILE 7 HD13 ILE 7 -13.697 -0.307 18.952 61 H THR 8 HN THR 8 -12.204 2.823 16.870 62 HA THR 8 HA THR 8 -13.606 4.105 14.596 63 HB THR 8 HB THR 8 -10.631 3.552 14.876 64 HG1 THR 8 HG1 THR 8 -12.124 5.968 14.891 65 HG21 THR 8 HG21 THR 8 -11.221 3.418 12.551 66 HG22 THR 8 HG22 THR 8 -10.555 5.031 12.805 67 HG23 THR 8 HG23 THR 8 -12.300 4.808 12.682 68 H TYR 9 HN TYR 9 -14.339 2.789 13.062 69 HA TYR 9 HA TYR 9 -14.044 -0.057 13.257 70 HB2 TYR 9 HB2 TYR 9 -15.321 1.708 11.162 71 HB3 TYR 9 HB1 TYR 9 -15.380 -0.057 11.133 72 HD1 TYR 9 HD1 TYR 9 -16.467 2.981 12.938 73 HD2 TYR 9 HD2 TYR 9 -16.718 -1.301 12.726 74 HE1 TYR 9 HE1 TYR 9 -18.374 3.016 14.520 75 HE2 TYR 9 HE2 TYR 9 -18.628 -1.266 14.311 76 HH TYR 9 HH TYR 9 -20.493 0.984 14.889 77 HA PRO 10 HA PRO 10 -10.460 -0.655 10.691 78 HB2 PRO 10 HB2 PRO 10 -11.017 -2.929 9.298 79 HB3 PRO 10 HB1 PRO 10 -10.630 -2.925 11.035 80 HG2 PRO 10 HG2 PRO 10 -13.295 -3.069 9.696 81 HG3 PRO 10 HG1 PRO 10 -12.680 -3.982 11.086 82 HD2 PRO 10 HD2 PRO 10 -14.333 -1.860 11.397 83 HD3 PRO 10 HD1 PRO 10 -13.065 -2.241 12.584 84 H ALA 11 HN ALA 11 -9.695 0.062 8.743 85 HA ALA 11 HA ALA 11 -11.203 -0.071 6.299 86 HB1 ALA 11 HB1 ALA 11 -12.216 1.892 7.574 87 HB2 ALA 11 HB2 ALA 11 -11.623 2.238 5.950 88 HB3 ALA 11 HB3 ALA 11 -10.665 2.702 7.356 89 H ILE 12 HN ILE 12 -9.991 0.597 4.464 90 HA ILE 12 HA ILE 12 -7.097 0.588 4.939 91 HB ILE 12 HB ILE 12 -8.476 0.403 2.245 92 HG12 ILE 12 HG12 ILE 12 -7.816 -2.168 2.628 93 HG13 ILE 12 HG11 ILE 12 -7.942 -1.734 4.334 94 HG21 ILE 12 HG21 ILE 12 -5.699 -0.199 3.278 95 HG22 ILE 12 HG22 ILE 12 -6.168 0.934 2.010 96 HG23 ILE 12 HG23 ILE 12 -6.282 -0.803 1.727 97 HD11 ILE 12 HD11 ILE 12 -10.181 -0.975 2.464 98 HD12 ILE 12 HD12 ILE 12 -10.236 -1.324 4.192 99 HD13 ILE 12 HD13 ILE 12 -10.051 -2.637 3.036 100 H ASP 13 HN ASP 13 -9.534 2.432 3.149 101 HA ASP 13 HA ASP 13 -8.324 4.943 3.730 102 HB2 ASP 13 HB2 ASP 13 -6.715 4.133 2.014 103 HB3 ASP 13 HB1 ASP 13 -8.041 3.999 0.865 104 H ARG 14 HN ARG 14 -10.234 3.325 1.201 105 HA ARG 14 HA ARG 14 -12.262 3.817 0.248 106 HB2 ARG 14 HB2 ARG 14 -12.757 4.887 3.033 107 HB3 ARG 14 HB1 ARG 14 -14.010 4.642 1.815 108 HG2 ARG 14 HG2 ARG 14 -13.516 2.260 1.717 109 HG3 ARG 14 HG1 ARG 14 -12.165 2.461 2.831 110 HD2 ARG 14 HD2 ARG 14 -14.060 1.639 4.087 111 HD3 ARG 14 HD1 ARG 14 -13.780 3.315 4.545 112 HE ARG 14 HE ARG 14 -15.650 3.219 2.409 113 HH11 ARG 14 HH11 ARG 14 -15.445 2.458 5.834 114 HH12 ARG 14 HH12 ARG 14 -17.133 2.721 6.116 115 HH21 ARG 14 HH21 ARG 14 -17.843 3.565 2.825 116 HH22 ARG 14 HH22 ARG 14 -18.482 3.344 4.420 117 H GLY 15 HN GLY 15 -13.946 5.739 -0.011 118 HA2 GLY 15 HA2 GLY 15 -12.350 8.154 -0.610 119 HA3 GLY 15 HA1 GLY 15 -13.810 7.667 -1.463 120 H ASP 16 HN ASP 16 -12.606 9.788 0.757 121 HA ASP 16 HA ASP 16 -14.623 9.964 2.725 122 HB2 ASP 16 HB2 ASP 16 -12.680 12.003 1.636 123 HB3 ASP 16 HB1 ASP 16 -13.780 12.350 2.965 124 H HIS 17 HN HIS 17 -14.289 11.485 -0.461 125 HA HIS 17 HA HIS 17 -17.143 11.932 -0.594 126 HB2 HIS 17 HB2 HIS 17 -16.429 13.942 0.648 127 HB3 HIS 17 HB1 HIS 17 -15.240 14.310 -0.597 128 HD2 HIS 17 HD2 HIS 17 -16.245 15.897 -2.633 129 HE1 HIS 17 HE1 HIS 17 -20.356 15.346 -1.844 130 HE2 HIS 17 HE2 HIS 17 -18.675 16.589 -3.286 131 H ALA 18 HN ALA 18 -14.813 13.866 -2.454 132 HA ALA 18 HA ALA 18 -14.616 12.016 -4.647 133 HB1 ALA 18 HB1 ALA 18 -16.987 13.299 -4.648 134 HB2 ALA 18 HB2 ALA 18 -16.145 12.830 -6.123 135 HB3 ALA 18 HB3 ALA 18 -16.015 14.483 -5.524 136 H VAL 19 HN VAL 19 -13.108 12.649 -6.207 137 HA VAL 19 HA VAL 19 -11.859 15.284 -5.890 138 HB VAL 19 HB VAL 19 -9.609 14.281 -6.045 139 HG11 VAL 19 HG11 VAL 19 -9.476 13.584 -3.734 140 HG12 VAL 19 HG12 VAL 19 -11.183 13.140 -3.722 141 HG13 VAL 19 HG13 VAL 19 -10.714 14.836 -3.850 142 HG21 VAL 19 HG21 VAL 19 -10.907 11.608 -5.434 143 HG22 VAL 19 HG22 VAL 19 -9.236 11.927 -5.898 144 HG23 VAL 19 HG23 VAL 19 -10.528 12.096 -7.087 145 H HIS 20 HN HIS 20 -10.577 15.959 -7.715 146 HA HIS 20 HA HIS 20 -11.199 14.556 -10.241 147 HB2 HIS 20 HB2 HIS 20 -11.588 17.461 -9.568 148 HB3 HIS 20 HB1 HIS 20 -11.220 16.986 -11.223 149 HD2 HIS 20 HD2 HIS 20 -14.313 17.414 -9.093 150 HE1 HIS 20 HE1 HIS 20 -15.396 14.628 -12.074 151 HE2 HIS 20 HE2 HIS 20 -16.285 16.176 -10.271 152 H CYS 21 HN CYS 21 -9.805 15.135 -12.038 153 HA CYS 21 HA CYS 21 -7.016 15.207 -11.214 154 HB2 CYS 21 HB2 CYS 21 -8.286 14.951 -13.949 155 HB3 CYS 21 HB1 CYS 21 -6.572 14.735 -13.598 156 H ASP 22 HN ASP 22 -5.589 16.885 -11.585 157 HA ASP 22 HA ASP 22 -6.637 19.498 -11.965 158 HB2 ASP 22 HB2 ASP 22 -4.500 18.848 -10.709 159 HB3 ASP 22 HB1 ASP 22 -3.757 18.679 -12.291 160 H LYS 23 HN LYS 23 -7.005 20.582 -13.800 161 HA LYS 23 HA LYS 23 -6.734 19.323 -16.337 162 HB2 LYS 23 HB2 LYS 23 -7.432 22.140 -15.495 163 HB3 LYS 23 HB1 LYS 23 -7.297 21.692 -17.195 164 HG2 LYS 23 HG2 LYS 23 -9.593 21.399 -16.688 165 HG3 LYS 23 HG1 LYS 23 -8.923 19.768 -16.647 166 HD2 LYS 23 HD2 LYS 23 -8.937 19.680 -14.285 167 HD3 LYS 23 HD1 LYS 23 -9.075 21.429 -14.121 168 HE2 LYS 23 HE2 LYS 23 -11.226 20.410 -13.620 169 HE3 LYS 23 HE1 LYS 23 -11.353 21.305 -15.134 170 HZ1 LYS 23 HZ1 LYS 23 -10.951 19.198 -16.316 171 HZ2 LYS 23 HZ2 LYS 23 -12.371 19.166 -15.385 172 HZ3 LYS 23 HZ3 LYS 23 -10.973 18.374 -14.834 173 H ALA 24 HN ALA 24 -4.587 21.244 -14.448 174 HA ALA 24 HA ALA 24 -2.786 21.747 -16.725 175 HB1 ALA 24 HB1 ALA 24 -2.812 22.811 -13.898 176 HB2 ALA 24 HB2 ALA 24 -3.105 23.706 -15.388 177 HB3 ALA 24 HB3 ALA 24 -1.491 23.094 -15.028 178 H HIS 25 HN HIS 25 -3.192 19.797 -13.873 179 HA HIS 25 HA HIS 25 -0.654 18.439 -14.451 180 HB2 HIS 25 HB2 HIS 25 -1.800 19.154 -11.736 181 HB3 HIS 25 HB1 HIS 25 -0.471 18.027 -11.966 182 HD2 HIS 25 HD2 HIS 25 2.005 19.275 -12.162 183 HE1 HIS 25 HE1 HIS 25 0.619 23.218 -12.756 184 HE2 HIS 25 HE2 HIS 25 2.685 21.784 -12.399 185 HA PRO 26 HA PRO 26 -4.470 15.566 -14.206 186 HB2 PRO 26 HB2 PRO 26 -4.623 14.783 -16.785 187 HB3 PRO 26 HB1 PRO 26 -5.414 16.257 -16.189 188 HG2 PRO 26 HG2 PRO 26 -2.819 15.966 -17.623 189 HG3 PRO 26 HG1 PRO 26 -4.147 17.104 -17.930 190 HD2 PRO 26 HD2 PRO 26 -1.955 17.849 -16.540 191 HD3 PRO 26 HD1 PRO 26 -3.566 18.485 -16.152 192 H ASN 27 HN ASN 27 -1.289 15.503 -15.545 193 HA ASN 27 HA ASN 27 -0.915 12.783 -16.067 194 HB2 ASN 27 HB2 ASN 27 1.026 14.962 -15.311 195 HB3 ASN 27 HB1 ASN 27 1.524 13.336 -15.772 196 HD21 ASN 27 HD21 ASN 27 0.097 12.633 -17.923 197 HD22 ASN 27 HD22 ASN 27 0.194 13.782 -19.171 198 H THR 28 HN THR 28 -0.667 14.639 -13.031 199 HA THR 28 HA THR 28 0.523 12.386 -11.628 200 HB THR 28 HB THR 28 1.210 14.631 -10.963 201 HG1 THR 28 HG1 THR 28 1.048 12.967 -9.380 202 HG21 THR 28 HG21 THR 28 -0.621 16.024 -11.423 203 HG22 THR 28 HG22 THR 28 -0.552 16.000 -9.663 204 HG23 THR 28 HG23 THR 28 -1.747 15.018 -10.513 205 H CYS 29 HN CYS 29 -2.630 13.678 -12.226 206 HA CYS 29 HA CYS 29 -3.967 12.566 -10.061 207 HB2 CYS 29 HB2 CYS 29 -4.991 14.264 -11.392 208 HB3 CYS 29 HB1 CYS 29 -5.005 13.215 -12.811 209 H LYS 30 HN LYS 30 -4.921 10.674 -9.687 210 HA LYS 30 HA LYS 30 -4.000 8.435 -11.328 211 HB2 LYS 30 HB2 LYS 30 -5.229 8.462 -8.560 212 HB3 LYS 30 HB1 LYS 30 -4.508 7.067 -9.360 213 HG2 LYS 30 HG2 LYS 30 -2.996 9.632 -8.802 214 HG3 LYS 30 HG1 LYS 30 -2.964 8.261 -7.709 215 HD2 LYS 30 HD2 LYS 30 -2.091 6.861 -9.603 216 HD3 LYS 30 HD1 LYS 30 -2.031 8.312 -10.599 217 HE2 LYS 30 HE2 LYS 30 -0.486 9.363 -8.987 218 HE3 LYS 30 HE1 LYS 30 -0.531 7.905 -7.996 219 HZ1 LYS 30 HZ1 LYS 30 0.264 6.684 -10.012 220 HZ2 LYS 30 HZ2 LYS 30 1.386 7.770 -9.343 221 HZ3 LYS 30 HZ3 LYS 30 0.530 8.187 -10.749 222 H LYS 31 HN LYS 31 -5.278 7.253 -12.541 223 HA LYS 31 HA LYS 31 -8.174 7.208 -12.071 224 HB2 LYS 31 HB2 LYS 31 -6.915 7.730 -14.769 225 HB3 LYS 31 HB1 LYS 31 -8.633 7.498 -14.474 226 HG2 LYS 31 HG2 LYS 31 -7.052 9.675 -13.097 227 HG3 LYS 31 HG1 LYS 31 -7.822 9.937 -14.656 228 HD2 LYS 31 HD2 LYS 31 -9.386 8.863 -12.292 229 HD3 LYS 31 HD1 LYS 31 -9.172 10.592 -12.542 230 HE2 LYS 31 HE2 LYS 31 -10.337 8.700 -14.605 231 HE3 LYS 31 HE1 LYS 31 -11.287 9.733 -13.542 232 HZ1 LYS 31 HZ1 LYS 31 -11.063 10.978 -15.468 233 HZ2 LYS 31 HZ2 LYS 31 -9.445 10.515 -15.710 234 HZ3 LYS 31 HZ3 LYS 31 -9.844 11.607 -14.470 235 H LYS 32 HN LYS 32 -9.245 5.397 -12.943 236 HA LYS 32 HA LYS 32 -7.425 3.145 -13.597 237 HB2 LYS 32 HB2 LYS 32 -9.959 2.974 -11.988 238 HB3 LYS 32 HB1 LYS 32 -8.821 1.676 -12.323 239 HG2 LYS 32 HG2 LYS 32 -8.074 4.208 -10.815 240 HG3 LYS 32 HG1 LYS 32 -8.525 2.714 -10.010 241 HD2 LYS 32 HD2 LYS 32 -6.620 1.556 -11.036 242 HD3 LYS 32 HD1 LYS 32 -6.190 3.013 -11.935 243 HE2 LYS 32 HE2 LYS 32 -5.866 4.223 -9.843 244 HE3 LYS 32 HE1 LYS 32 -6.268 2.769 -8.919 245 HZ1 LYS 32 HZ1 LYS 32 -4.393 1.752 -10.416 246 HZ2 LYS 32 HZ2 LYS 32 -4.000 2.605 -9.000 247 HZ3 LYS 32 HZ3 LYS 32 -3.876 3.363 -10.516 248 H GLN 33 HN GLN 33 -10.537 4.610 -14.127 249 HA GLN 33 HA GLN 33 -10.816 2.965 -16.518 250 HB2 GLN 33 HB2 GLN 33 -13.206 2.576 -16.049 251 HB3 GLN 33 HB1 GLN 33 -12.175 1.887 -14.795 252 HG2 GLN 33 HG2 GLN 33 -12.513 4.104 -13.551 253 HG3 GLN 33 HG1 GLN 33 -13.832 4.409 -14.672 254 HE21 GLN 33 HE21 GLN 33 -15.820 3.753 -13.863 255 HE22 GLN 33 HE22 GLN 33 -16.064 2.433 -12.821 256 H ALA 34 HN ALA 34 -12.588 3.807 -17.931 257 HA ALA 34 HA ALA 34 -13.395 6.553 -17.687 258 HB1 ALA 34 HB1 ALA 34 -11.159 7.031 -18.411 259 HB2 ALA 34 HB2 ALA 34 -12.224 7.290 -19.792 260 HB3 ALA 34 HB3 ALA 34 -11.253 5.821 -19.689 261 H ASN 35 HN ASN 35 -14.680 7.277 -19.567 262 HA ASN 35 HA ASN 35 -15.791 5.024 -21.137 263 HB2 ASN 35 HB2 ASN 35 -17.331 7.307 -19.884 264 HB3 ASN 35 HB1 ASN 35 -18.010 6.081 -20.943 265 HD21 ASN 35 HD21 ASN 35 -19.377 5.048 -19.382 266 HD22 ASN 35 HD22 ASN 35 -18.766 4.235 -18.021 267 HA PRO 36 HA PRO 36 -15.016 7.591 -24.648 268 HB2 PRO 36 HB2 PRO 36 -16.782 6.710 -26.470 269 HB3 PRO 36 HB1 PRO 36 -15.440 5.695 -25.892 270 HG2 PRO 36 HG2 PRO 36 -18.304 5.665 -25.086 271 HG3 PRO 36 HG1 PRO 36 -17.211 4.308 -25.415 272 HD2 PRO 36 HD2 PRO 36 -17.801 5.159 -22.890 273 HD3 PRO 36 HD1 PRO 36 -16.269 4.373 -23.315 274 H TYR 37 HN TYR 37 -18.233 7.529 -23.341 275 HA TYR 37 HA TYR 37 -19.226 9.777 -24.857 276 HB2 TYR 37 HB2 TYR 37 -20.656 7.884 -24.136 277 HB3 TYR 37 HB1 TYR 37 -20.357 8.323 -22.461 278 HD1 TYR 37 HD1 TYR 37 -21.817 9.575 -25.665 279 HD2 TYR 37 HD2 TYR 37 -21.611 10.062 -21.400 280 HE1 TYR 37 HE1 TYR 37 -23.681 11.210 -25.759 281 HE2 TYR 37 HE2 TYR 37 -23.474 11.696 -21.497 282 HH TYR 37 HH TYR 37 -25.553 11.979 -23.803 283 H ARG 38 HN ARG 38 -18.943 9.240 -21.333 284 HA ARG 38 HA ARG 38 -18.490 10.618 -19.595 285 HB2 ARG 38 HB2 ARG 38 -16.321 10.675 -21.107 286 HB3 ARG 38 HB1 ARG 38 -16.797 12.352 -21.365 287 HG2 ARG 38 HG2 ARG 38 -16.832 12.710 -18.918 288 HG3 ARG 38 HG1 ARG 38 -16.331 11.038 -18.668 289 HD2 ARG 38 HD2 ARG 38 -14.298 11.531 -20.080 290 HD3 ARG 38 HD1 ARG 38 -14.767 13.227 -20.054 291 HE ARG 38 HE ARG 38 -13.625 11.704 -17.854 292 HH11 ARG 38 HH11 ARG 38 -15.450 14.579 -18.725 293 HH12 ARG 38 HH12 ARG 38 -15.017 15.435 -17.282 294 HH21 ARG 38 HH21 ARG 38 -13.071 12.866 -15.999 295 HH22 ARG 38 HH22 ARG 38 -13.679 14.468 -15.749 296 H ARG 39 HN ARG 39 -18.732 12.812 -18.702 297 HA ARG 39 HA ARG 39 -20.105 14.782 -20.344 298 HB2 ARG 39 HB2 ARG 39 -21.883 13.192 -19.500 299 HB3 ARG 39 HB1 ARG 39 -21.462 13.712 -17.866 300 HG2 ARG 39 HG2 ARG 39 -22.008 16.021 -18.400 301 HG3 ARG 39 HG1 ARG 39 -22.300 15.595 -20.087 302 HD2 ARG 39 HD2 ARG 39 -24.441 15.736 -18.999 303 HD3 ARG 39 HD1 ARG 39 -24.104 14.034 -19.302 304 HE ARG 39 HE ARG 39 -23.168 14.740 -16.715 305 HH11 ARG 39 HH11 ARG 39 -26.171 14.187 -18.448 306 HH12 ARG 39 HH12 ARG 39 -27.048 13.719 -17.029 307 HH21 ARG 39 HH21 ARG 39 -24.349 14.137 -14.885 308 HH22 ARG 39 HH22 ARG 39 -26.017 13.690 -15.024 309 H GLY 40 HN GLY 40 -19.832 16.844 -19.585 310 HA2 GLY 40 HA2 GLY 40 -17.807 17.209 -17.589 311 HA3 GLY 40 HA1 GLY 40 -18.610 18.486 -18.498 312 H CYS 41 HN CYS 41 -18.152 17.274 -15.481 313 HA CYS 41 HA CYS 41 -20.788 17.931 -14.394 314 HB2 CYS 41 HB2 CYS 41 -19.568 15.924 -13.610 315 HB3 CYS 41 HB1 CYS 41 -18.319 16.968 -12.945 316 H GLY 42 HN GLY 42 -20.929 19.374 -12.521 317 HA2 GLY 42 HA2 GLY 42 -20.128 21.223 -11.227 318 HA3 GLY 42 HA1 GLY 42 -18.940 21.569 -12.471 319 H VAL 43 HN VAL 43 -21.494 20.867 -14.282 320 HA VAL 43 HA VAL 43 -22.216 23.549 -14.921 321 HB VAL 43 HB VAL 43 -24.046 22.487 -16.238 322 HG11 VAL 43 HG11 VAL 43 -21.270 21.302 -16.518 323 HG12 VAL 43 HG12 VAL 43 -21.859 22.788 -17.260 324 HG13 VAL 43 HG13 VAL 43 -22.509 21.229 -17.770 325 HG21 VAL 43 HG21 VAL 43 -24.457 20.159 -16.220 326 HG22 VAL 43 HG22 VAL 43 -24.189 20.497 -14.514 327 HG23 VAL 43 HG23 VAL 43 -22.902 19.786 -15.476 328 H LEU 44 HN LEU 44 -23.322 21.261 -12.576 329 HA LEU 44 HA LEU 44 -24.781 21.366 -10.846 330 HB2 LEU 44 HB2 LEU 44 -24.928 24.305 -11.563 331 HB3 LEU 44 HB1 LEU 44 -25.649 23.588 -10.126 332 HG LEU 44 HG LEU 44 -22.691 23.321 -10.791 333 HD11 LEU 44 HD11 LEU 44 -22.284 25.127 -9.225 334 HD12 LEU 44 HD12 LEU 44 -23.998 25.239 -8.832 335 HD13 LEU 44 HD13 LEU 44 -23.429 25.714 -10.431 336 HD21 LEU 44 HD21 LEU 44 -23.415 21.620 -9.240 337 HD22 LEU 44 HD22 LEU 44 -24.403 22.768 -8.338 338 HD23 LEU 44 HD23 LEU 44 -22.646 22.869 -8.262 339 H GLU 45 HN GLU 45 -25.691 21.575 -13.978 340 HA GLU 45 HA GLU 45 -28.480 22.115 -13.850 341 HB2 GLU 45 HB2 GLU 45 -26.755 20.572 -15.778 342 HB3 GLU 45 HB1 GLU 45 -28.481 20.807 -16.018 343 HG2 GLU 45 HG2 GLU 45 -28.213 23.221 -16.060 344 HG3 GLU 45 HG1 GLU 45 -26.522 23.086 -15.598 345 H GLY 46 HN GLY 46 -26.479 19.265 -13.444 346 HA2 GLY 46 HA2 GLY 46 -28.099 17.850 -11.732 347 HA3 GLY 46 HA1 GLY 46 -28.575 17.330 -13.350 348 H CYS 47 HN CYS 47 -26.004 17.406 -10.984 349 HA CYS 47 HA CYS 47 -24.655 15.194 -12.382 350 HB2 CYS 47 HB2 CYS 47 -23.417 17.260 -12.951 351 HB3 CYS 47 HB1 CYS 47 -23.245 17.621 -11.233 352 H HIS 48 HN HIS 48 -24.179 13.547 -11.081 353 HA HIS 48 HA HIS 48 -23.539 13.925 -8.288 354 HB2 HIS 48 HB2 HIS 48 -25.301 12.415 -7.435 355 HB3 HIS 48 HB1 HIS 48 -25.965 13.892 -8.114 356 HD2 HIS 48 HD2 HIS 48 -26.252 10.075 -8.617 357 HE1 HIS 48 HE1 HIS 48 -28.215 11.868 -11.899 358 HE2 HIS 48 HE2 HIS 48 -27.807 9.677 -10.678 359 H ARG 49 HN ARG 49 -22.965 11.883 -7.209 360 HA ARG 49 HA ARG 49 -21.638 10.046 -7.111 361 HB2 ARG 49 HB2 ARG 49 -23.725 9.008 -8.068 362 HB3 ARG 49 HB1 ARG 49 -23.001 9.177 -9.667 363 HG2 ARG 49 HG2 ARG 49 -21.071 7.816 -8.953 364 HG3 ARG 49 HG1 ARG 49 -21.778 7.651 -7.348 365 HD2 ARG 49 HD2 ARG 49 -23.729 6.508 -8.302 366 HD3 ARG 49 HD1 ARG 49 -23.060 6.698 -9.919 367 HE ARG 49 HE ARG 49 -21.575 4.953 -9.478 368 HH11 ARG 49 HH11 ARG 49 -23.079 5.960 -6.463 369 HH12 ARG 49 HH12 ARG 49 -22.452 4.617 -5.565 370 HH21 ARG 49 HH21 ARG 49 -20.788 3.219 -8.269 371 HH22 ARG 49 HH22 ARG 49 -21.165 3.075 -6.585 372 H GLU 50 HN GLU 50 -19.594 10.769 -7.408 373 HA GLU 50 HA GLU 50 -18.580 10.980 -10.188 374 HB2 GLU 50 HB2 GLU 50 -17.388 12.321 -7.757 375 HB3 GLU 50 HB1 GLU 50 -16.969 12.592 -9.437 376 HG2 GLU 50 HG2 GLU 50 -19.191 13.537 -9.897 377 HG3 GLU 50 HG1 GLU 50 -19.688 13.224 -8.236 378 H THR 51 HN THR 51 -16.134 10.692 -10.215 379 HA THR 51 HA THR 51 -15.415 8.291 -8.649 380 HB THR 51 HB THR 51 -14.534 9.163 -11.403 381 HG1 THR 51 HG1 THR 51 -16.538 8.350 -11.596 382 HG21 THR 51 HG21 THR 51 -12.751 7.915 -10.276 383 HG22 THR 51 HG22 THR 51 -13.480 6.896 -11.515 384 HG23 THR 51 HG23 THR 51 -13.892 6.652 -9.817 385 H GLY 52 HN GLY 52 -13.702 8.522 -7.307 386 HA2 GLY 52 HA2 GLY 52 -11.502 10.297 -7.919 387 HA3 GLY 52 HA1 GLY 52 -12.487 10.825 -6.561 388 HA PRO 53 HA PRO 53 -10.481 6.613 -5.140 389 HB2 PRO 53 HB2 PRO 53 -8.444 5.609 -6.610 390 HB3 PRO 53 HB1 PRO 53 -10.150 5.217 -6.941 391 HG2 PRO 53 HG2 PRO 53 -8.393 7.229 -8.281 392 HG3 PRO 53 HG1 PRO 53 -9.475 6.025 -9.011 393 HD2 PRO 53 HD2 PRO 53 -10.219 8.603 -8.743 394 HD3 PRO 53 HD1 PRO 53 -11.390 7.273 -8.568 395 H LYS 54 HN LYS 54 -8.718 6.481 -3.696 396 HA LYS 54 HA LYS 54 -6.560 8.470 -4.020 397 HB2 LYS 54 HB2 LYS 54 -8.114 7.931 -1.464 398 HB3 LYS 54 HB1 LYS 54 -6.697 8.969 -1.586 399 HG2 LYS 54 HG2 LYS 54 -9.146 9.426 -3.298 400 HG3 LYS 54 HG1 LYS 54 -9.010 10.115 -1.683 401 HD2 LYS 54 HD2 LYS 54 -6.841 10.512 -3.759 402 HD3 LYS 54 HD1 LYS 54 -8.232 11.587 -3.662 403 HE2 LYS 54 HE2 LYS 54 -6.336 11.007 -1.361 404 HE3 LYS 54 HE1 LYS 54 -6.292 12.450 -2.370 405 HZ1 LYS 54 HZ1 LYS 54 -7.557 13.109 -0.578 406 HZ2 LYS 54 HZ2 LYS 54 -8.346 11.614 -0.432 407 HZ3 LYS 54 HZ3 LYS 54 -8.747 12.671 -1.700 408 HA PRO 55 HA PRO 55 -4.883 4.134 -3.076 409 HB2 PRO 55 HB2 PRO 55 -2.959 4.122 -5.000 410 HB3 PRO 55 HB1 PRO 55 -4.636 3.612 -5.306 411 HG2 PRO 55 HG2 PRO 55 -3.326 6.233 -5.860 412 HG3 PRO 55 HG1 PRO 55 -4.364 5.252 -6.906 413 HD2 PRO 55 HD2 PRO 55 -5.360 7.371 -5.585 414 HD3 PRO 55 HD1 PRO 55 -6.323 5.887 -5.804 415 H THR 56 HN THR 56 -3.444 7.291 -3.586 416 HA THR 56 HA THR 56 -0.834 6.873 -2.741 417 HB THR 56 HB THR 56 -2.426 9.361 -2.117 418 HG1 THR 56 HG1 THR 56 -1.693 9.959 -4.266 419 HG21 THR 56 HG21 THR 56 -0.191 10.410 -2.622 420 HG22 THR 56 HG22 THR 56 0.485 8.783 -2.703 421 HG23 THR 56 HG23 THR 56 -0.203 9.378 -1.192
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