NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505151 | 2eos | 10157 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -15.326 6.281 13.244 2 HA2 GLY 1 1HA GLY 1 -18.059 6.245 14.107 3 HA3 GLY 1 2HA GLY 1 -17.722 7.594 13.032 4 H SER 2 H SER 2 -18.174 7.218 10.978 5 HA SER 2 HA SER 2 -18.494 4.485 10.049 6 HB2 SER 2 1HB SER 2 -19.093 7.164 8.785 7 HB3 SER 2 2HB SER 2 -19.322 5.629 7.947 8 HG SER 2 HG SER 2 -21.202 6.533 9.092 9 H SER 3 H SER 3 -17.611 3.835 7.934 10 HA SER 3 HA SER 3 -14.903 4.932 7.548 11 HB2 SER 3 1HB SER 3 -14.196 2.720 6.835 12 HB3 SER 3 2HB SER 3 -14.978 2.597 8.411 13 HG SER 3 HG SER 3 -16.836 1.845 7.385 14 H GLY 4 H GLY 4 -14.244 5.503 5.533 15 HA2 GLY 4 1HA GLY 4 -14.876 4.736 3.070 16 HA3 GLY 4 2HA GLY 4 -16.320 5.646 3.489 17 H SER 5 H SER 5 -15.857 7.102 1.774 18 HA SER 5 HA SER 5 -13.547 8.488 1.283 19 HB2 SER 5 1HB SER 5 -15.801 8.604 0.052 20 HB3 SER 5 2HB SER 5 -16.231 9.860 1.212 21 HG SER 5 HG SER 5 -15.084 11.194 0.083 22 H SER 6 H SER 6 -12.933 10.714 1.796 23 HA SER 6 HA SER 6 -13.570 11.384 4.595 24 HB2 SER 6 1HB SER 6 -11.010 11.433 3.055 25 HB3 SER 6 2HB SER 6 -11.246 12.630 4.328 26 HG SER 6 HG SER 6 -10.963 9.864 4.506 27 H GLY 7 H GLY 7 -12.596 12.822 1.484 28 HA2 GLY 7 1HA GLY 7 -13.639 14.665 0.459 29 HA3 GLY 7 2HA GLY 7 -14.433 15.035 1.983 30 H GLY 8 H GLY 8 -11.087 14.789 0.755 31 HA2 GLY 8 1HA GLY 8 -10.430 17.474 1.031 32 HA3 GLY 8 2HA GLY 8 -10.074 16.715 2.575 33 H GLU 9 H GLU 9 -8.561 14.915 2.587 34 HA GLU 9 HA GLU 9 -6.774 14.839 0.259 35 HB2 GLU 9 1HB GLU 9 -5.882 15.181 3.127 36 HB3 GLU 9 2HB GLU 9 -4.813 14.923 1.755 37 HG2 GLU 9 1HG GLU 9 -6.699 17.249 1.875 38 HG3 GLU 9 2HG GLU 9 -5.095 17.304 2.603 39 H LYS 10 H LYS 10 -6.496 12.819 -0.384 40 HA LYS 10 HA LYS 10 -6.195 10.561 -0.370 41 HB2 LYS 10 1HB LYS 10 -5.924 10.730 2.630 42 HB3 LYS 10 2HB LYS 10 -5.303 9.477 1.564 43 HG2 LYS 10 1HG LYS 10 -3.534 10.749 0.866 44 HG3 LYS 10 2HG LYS 10 -4.370 12.274 1.170 45 HD2 LYS 10 1HD LYS 10 -2.757 12.176 2.855 46 HD3 LYS 10 2HD LYS 10 -4.230 11.621 3.652 47 HE2 LYS 10 1HE LYS 10 -2.702 10.042 4.347 48 HE3 LYS 10 2HE LYS 10 -3.399 9.259 2.930 49 HZ1 LYS 10 3HZ LYS 10 -0.717 10.267 3.354 50 HZ2 LYS 10 1HZ LYS 10 -1.376 10.613 1.835 51 HZ3 LYS 10 2HZ LYS 10 -1.258 9.010 2.360 52 HA PRO 11 HA PRO 11 -10.622 10.359 1.268 53 HB2 PRO 11 1HB PRO 11 -11.856 10.346 -1.150 54 HB3 PRO 11 2HB PRO 11 -11.492 11.832 -0.265 55 HG2 PRO 11 1HG PRO 11 -10.001 10.562 -2.529 56 HG3 PRO 11 2HG PRO 11 -10.391 12.272 -2.266 57 HD2 PRO 11 1HD PRO 11 -7.952 11.233 -1.716 58 HD3 PRO 11 2HD PRO 11 -8.653 12.570 -0.782 59 H TYR 12 H TYR 12 -8.400 8.548 -0.344 60 HA TYR 12 HA TYR 12 -10.224 6.243 -0.569 61 HB2 TYR 12 1HB TYR 12 -7.686 6.818 -2.111 62 HB3 TYR 12 2HB TYR 12 -8.595 5.314 -2.209 63 HD1 TYR 12 HD1 TYR 12 -8.735 8.942 -2.918 64 HD2 TYR 12 HD2 TYR 12 -10.530 5.140 -3.571 65 HE1 TYR 12 HE1 TYR 12 -10.139 9.916 -4.687 66 HE2 TYR 12 HE2 TYR 12 -11.939 6.103 -5.342 67 HH TYR 12 HH TYR 12 -11.596 9.490 -6.325 68 HA PRO 13 HA PRO 13 -7.416 5.245 2.918 69 HB2 PRO 13 1HB PRO 13 -9.268 3.779 4.256 70 HB3 PRO 13 2HB PRO 13 -9.159 5.539 4.386 71 HG2 PRO 13 1HG PRO 13 -11.010 3.873 2.725 72 HG3 PRO 13 2HG PRO 13 -11.366 5.320 3.686 73 HD2 PRO 13 1HD PRO 13 -11.034 5.401 1.000 74 HD3 PRO 13 2HD PRO 13 -10.574 6.748 2.060 75 H CYS 14 H CYS 14 -6.191 3.444 3.127 76 HA CYS 14 HA CYS 14 -6.334 1.404 1.188 77 HB2 CYS 14 1HB CYS 14 -4.208 1.972 2.159 78 HB3 CYS 14 2HB CYS 14 -4.788 1.592 3.777 79 H GLU 15 H GLU 15 -6.508 -0.930 1.633 80 HA GLU 15 HA GLU 15 -8.755 -1.437 3.444 81 HB2 GLU 15 1HB GLU 15 -9.301 -2.181 1.288 82 HB3 GLU 15 2HB GLU 15 -7.696 -2.841 1.009 83 HG2 GLU 15 1HG GLU 15 -9.246 -4.640 1.296 84 HG3 GLU 15 2HG GLU 15 -8.159 -4.592 2.683 85 H ILE 16 H ILE 16 -5.494 -2.531 2.685 86 HA ILE 16 HA ILE 16 -5.438 -4.712 4.485 87 HB ILE 16 HB ILE 16 -3.135 -3.059 3.441 88 HG12 ILE 16 1HG1 ILE 16 -2.990 -5.334 2.047 89 HG13 ILE 16 2HG1 ILE 16 -4.726 -5.321 2.337 90 HG21 ILE 16 1HG2 ILE 16 -3.283 -5.570 5.042 91 HG22 ILE 16 2HG2 ILE 16 -1.971 -5.358 3.884 92 HG23 ILE 16 3HG2 ILE 16 -2.184 -4.200 5.196 93 HD11 ILE 16 3HD1 ILE 16 -3.244 -3.909 0.385 94 HD12 ILE 16 1HD1 ILE 16 -4.986 -3.916 0.657 95 HD13 ILE 16 2HD1 ILE 16 -3.970 -2.732 1.480 96 H CYS 17 H CYS 17 -3.524 -1.728 4.806 97 HA CYS 17 HA CYS 17 -3.632 -2.010 7.705 98 HB2 CYS 17 1HB CYS 17 -1.910 -0.253 7.727 99 HB3 CYS 17 2HB CYS 17 -1.452 -1.590 6.677 100 H GLY 18 H GLY 18 -4.357 0.436 5.226 101 HA2 GLY 18 1HA GLY 18 -6.637 1.483 5.688 102 HA3 GLY 18 2HA GLY 18 -5.936 1.895 7.246 103 H THR 19 H THR 19 -3.289 2.388 5.953 104 HA THR 19 HA THR 19 -3.232 5.085 5.798 105 HB THR 19 HB THR 19 -1.602 3.071 4.268 106 HG1 THR 19 HG1 THR 19 -1.113 3.160 6.437 107 HG21 THR 19 3HG2 THR 19 -0.099 5.326 4.151 108 HG22 THR 19 1HG2 THR 19 -1.714 5.991 3.910 109 HG23 THR 19 2HG2 THR 19 -1.106 4.738 2.828 110 H ARG 20 H ARG 20 -4.300 6.530 4.633 111 HA ARG 20 HA ARG 20 -5.638 5.795 2.194 112 HB2 ARG 20 1HB ARG 20 -5.385 8.572 3.343 113 HB3 ARG 20 2HB ARG 20 -6.636 7.957 2.270 114 HG2 ARG 20 1HG ARG 20 -7.767 6.921 3.951 115 HG3 ARG 20 2HG ARG 20 -6.312 6.645 4.910 116 HD2 ARG 20 1HD ARG 20 -6.353 8.756 5.825 117 HD3 ARG 20 2HD ARG 20 -7.249 9.440 4.470 118 HE ARG 20 HE ARG 20 -9.223 8.801 5.476 119 HH11 ARG 20 1HH1 ARG 20 -6.514 7.407 7.160 120 HH12 ARG 20 2HH1 ARG 20 -7.459 6.881 8.514 121 HH21 ARG 20 1HH2 ARG 20 -10.478 8.113 7.253 122 HH22 ARG 20 2HH2 ARG 20 -9.713 7.282 8.565 123 H PHE 21 H PHE 21 -5.496 7.375 0.293 124 HA PHE 21 HA PHE 21 -2.794 8.393 -0.144 125 HB2 PHE 21 1HB PHE 21 -4.117 6.250 -1.801 126 HB3 PHE 21 2HB PHE 21 -2.824 7.261 -2.438 127 HD1 PHE 21 HD2 PHE 21 -3.625 4.964 0.373 128 HD2 PHE 21 HD1 PHE 21 -0.614 6.654 -2.116 129 HE1 PHE 21 HE2 PHE 21 -1.960 3.447 1.362 130 HE2 PHE 21 HE1 PHE 21 1.056 5.139 -1.131 131 HZ PHE 21 HZ PHE 21 0.384 3.533 0.612 132 H ARG 22 H ARG 22 -2.795 10.263 -1.229 133 HA ARG 22 HA ARG 22 -4.858 11.893 -1.650 134 HB2 ARG 22 1HB ARG 22 -2.386 11.545 -3.325 135 HB3 ARG 22 2HB ARG 22 -3.561 12.801 -3.691 136 HG2 ARG 22 1HG ARG 22 -2.352 12.533 -0.962 137 HG3 ARG 22 2HG ARG 22 -1.547 13.426 -2.254 138 HD2 ARG 22 1HD ARG 22 -4.352 13.962 -1.285 139 HD3 ARG 22 2HD ARG 22 -2.925 14.852 -0.758 140 HE ARG 22 HE ARG 22 -4.352 15.196 -3.203 141 HH11 ARG 22 1HH1 ARG 22 -1.195 15.391 -1.750 142 HH12 ARG 22 2HH1 ARG 22 -0.604 16.566 -2.879 143 HH21 ARG 22 1HH2 ARG 22 -3.587 16.741 -4.696 144 HH22 ARG 22 2HH2 ARG 22 -1.966 17.333 -4.554 145 H HIS 23 H HIS 23 -3.767 9.512 -4.053 146 HA HIS 23 HA HIS 23 -6.382 9.795 -5.384 147 HB2 HIS 23 1HB HIS 23 -3.627 9.547 -6.480 148 HB3 HIS 23 2HB HIS 23 -4.919 8.725 -7.350 149 HD2 HIS 23 HD2 HIS 23 -4.101 12.424 -6.219 150 HE1 HIS 23 HE1 HIS 23 -6.594 12.501 -9.652 151 HE2 HIS 23 HE2 HIS 23 -5.203 13.870 -8.060 152 H LEU 24 H LEU 24 -7.131 7.818 -6.507 153 HA LEU 24 HA LEU 24 -6.945 5.565 -4.740 154 HB2 LEU 24 1HB LEU 24 -9.035 6.268 -5.883 155 HB3 LEU 24 2HB LEU 24 -8.320 5.770 -7.415 156 HG LEU 24 HG LEU 24 -9.960 4.160 -6.394 157 HD11 LEU 24 1HD1 LEU 24 -7.573 3.719 -7.761 158 HD12 LEU 24 2HD1 LEU 24 -8.947 2.622 -7.631 159 HD13 LEU 24 3HD1 LEU 24 -7.609 2.499 -6.489 160 HD21 LEU 24 3HD2 LEU 24 -7.903 3.079 -4.604 161 HD22 LEU 24 1HD2 LEU 24 -9.647 3.214 -4.383 162 HD23 LEU 24 2HD2 LEU 24 -8.610 4.608 -4.078 163 H GLN 25 H GLN 25 -6.448 5.821 -8.267 164 HA GLN 25 HA GLN 25 -5.365 3.471 -8.906 165 HB2 GLN 25 1HB GLN 25 -3.942 4.590 -10.561 166 HB3 GLN 25 2HB GLN 25 -5.544 5.314 -10.499 167 HG2 GLN 25 1HG GLN 25 -4.742 7.209 -9.330 168 HG3 GLN 25 2HG GLN 25 -3.182 6.445 -9.028 169 HE21 GLN 25 1HE2 GLN 25 -2.400 8.478 -9.965 170 HE22 GLN 25 2HE2 GLN 25 -2.248 8.590 -11.682 171 H THR 26 H THR 26 -3.731 5.959 -7.035 172 HA THR 26 HA THR 26 -1.178 4.729 -6.996 173 HB THR 26 HB THR 26 -2.365 6.643 -4.977 174 HG1 THR 26 HG1 THR 26 -0.840 8.042 -6.386 175 HG21 THR 26 3HG2 THR 26 -0.279 6.920 -4.076 176 HG22 THR 26 1HG2 THR 26 0.546 6.481 -5.571 177 HG23 THR 26 2HG2 THR 26 -0.162 5.226 -4.554 178 H LEU 27 H LEU 27 -3.807 4.804 -4.592 179 HA LEU 27 HA LEU 27 -2.677 3.279 -2.606 180 HB2 LEU 27 1HB LEU 27 -4.786 4.305 -2.245 181 HB3 LEU 27 2HB LEU 27 -5.520 3.414 -3.576 182 HG LEU 27 HG LEU 27 -5.438 1.363 -2.305 183 HD11 LEU 27 1HD1 LEU 27 -4.048 3.018 -0.205 184 HD12 LEU 27 2HD1 LEU 27 -3.383 1.652 -1.100 185 HD13 LEU 27 3HD1 LEU 27 -4.687 1.395 0.058 186 HD21 LEU 27 3HD2 LEU 27 -7.022 3.572 -1.710 187 HD22 LEU 27 1HD2 LEU 27 -6.524 2.937 -0.142 188 HD23 LEU 27 2HD2 LEU 27 -7.349 1.888 -1.296 189 H LYS 28 H LYS 28 -4.528 2.100 -5.406 190 HA LYS 28 HA LYS 28 -4.557 -0.590 -4.924 191 HB2 LYS 28 1HB LYS 28 -4.352 1.016 -7.438 192 HB3 LYS 28 2HB LYS 28 -4.206 -0.734 -7.533 193 HG2 LYS 28 1HG LYS 28 -6.386 -1.089 -6.891 194 HG3 LYS 28 2HG LYS 28 -6.509 0.469 -6.069 195 HD2 LYS 28 1HD LYS 28 -6.665 1.639 -8.132 196 HD3 LYS 28 2HD LYS 28 -6.214 0.204 -9.055 197 HE2 LYS 28 1HE LYS 28 -8.732 0.498 -7.420 198 HE3 LYS 28 2HE LYS 28 -8.630 0.701 -9.168 199 HZ1 LYS 28 3HZ LYS 28 -7.474 -1.743 -8.619 200 HZ2 LYS 28 1HZ LYS 28 -8.982 -1.466 -9.334 201 HZ3 LYS 28 2HZ LYS 28 -8.867 -1.686 -7.661 202 H SER 29 H SER 29 -1.860 1.353 -6.074 203 HA SER 29 HA SER 29 -0.161 -0.917 -6.556 204 HB2 SER 29 1HB SER 29 0.257 2.062 -6.560 205 HB3 SER 29 2HB SER 29 1.625 0.956 -6.676 206 HG SER 29 HG SER 29 0.610 1.706 -8.712 207 H HIS 30 H HIS 30 -0.947 1.092 -3.868 208 HA HIS 30 HA HIS 30 1.419 0.622 -2.343 209 HB2 HIS 30 1HB HIS 30 0.309 2.500 -1.589 210 HB3 HIS 30 2HB HIS 30 -1.282 1.773 -1.795 211 HD1 HIS 30 HD1 HIS 30 1.729 1.423 0.502 212 HD2 HIS 30 HD2 HIS 30 -2.395 0.923 0.524 213 HE1 HIS 30 HE1 HIS 30 1.134 0.851 2.877 214 H LEU 31 H LEU 31 -1.280 -1.281 -3.115 215 HA LEU 31 HA LEU 31 -1.297 -2.881 -0.726 216 HB2 LEU 31 1HB LEU 31 -2.428 -3.820 -3.322 217 HB3 LEU 31 2HB LEU 31 -3.028 -4.069 -1.684 218 HG LEU 31 HG LEU 31 -3.295 -1.615 -3.405 219 HD11 LEU 31 1HD1 LEU 31 -5.737 -2.157 -2.429 220 HD12 LEU 31 2HD1 LEU 31 -5.060 -3.785 -2.472 221 HD13 LEU 31 3HD1 LEU 31 -5.124 -2.817 -3.945 222 HD21 LEU 31 3HD2 LEU 31 -4.484 -0.640 -1.423 223 HD22 LEU 31 1HD2 LEU 31 -2.733 -0.775 -1.250 224 HD23 LEU 31 2HD2 LEU 31 -3.790 -1.939 -0.451 225 H ARG 32 H ARG 32 0.718 -2.685 -3.400 226 HA ARG 32 HA ARG 32 1.344 -5.384 -3.886 227 HB2 ARG 32 1HB ARG 32 2.680 -2.770 -4.387 228 HB3 ARG 32 2HB ARG 32 3.660 -4.225 -4.510 229 HG2 ARG 32 1HG ARG 32 2.962 -4.067 -6.663 230 HG3 ARG 32 2HG ARG 32 1.633 -5.026 -6.008 231 HD2 ARG 32 1HD ARG 32 0.430 -3.411 -7.073 232 HD3 ARG 32 2HD ARG 32 0.637 -2.625 -5.508 233 HE ARG 32 HE ARG 32 1.913 -1.032 -6.531 234 HH11 ARG 32 1HH1 ARG 32 1.725 -3.822 -8.605 235 HH12 ARG 32 2HH1 ARG 32 2.532 -3.053 -9.931 236 HH21 ARG 32 1HH2 ARG 32 2.976 -0.008 -8.270 237 HH22 ARG 32 2HH2 ARG 32 3.244 -0.884 -9.739 238 H ILE 33 H ILE 33 2.678 -3.030 -1.608 239 HA ILE 33 HA ILE 33 4.738 -4.718 -0.624 240 HB ILE 33 HB ILE 33 5.102 -3.107 1.070 241 HG12 ILE 33 1HG1 ILE 33 2.387 -1.920 0.470 242 HG13 ILE 33 2HG1 ILE 33 2.705 -3.016 1.810 243 HG21 ILE 33 1HG2 ILE 33 4.300 -2.052 -1.587 244 HG22 ILE 33 2HG2 ILE 33 4.664 -0.892 -0.310 245 HG23 ILE 33 3HG2 ILE 33 5.881 -2.069 -0.804 246 HD11 ILE 33 3HD1 ILE 33 4.593 -0.882 1.881 247 HD12 ILE 33 1HD1 ILE 33 2.963 -0.221 1.750 248 HD13 ILE 33 2HD1 ILE 33 3.364 -1.325 3.066 249 H HIS 34 H HIS 34 1.359 -4.396 0.080 250 HA HIS 34 HA HIS 34 1.418 -5.663 2.638 251 HB2 HIS 34 1HB HIS 34 -0.763 -5.013 0.671 252 HB3 HIS 34 2HB HIS 34 -1.096 -5.977 2.106 253 HD1 HIS 34 HD1 HIS 34 0.275 -4.560 4.310 254 HD2 HIS 34 HD2 HIS 34 -1.586 -2.506 1.215 255 HE1 HIS 34 HE1 HIS 34 -0.211 -2.267 5.221 256 H THR 35 H THR 35 0.396 -6.781 -0.589 257 HA THR 35 HA THR 35 0.594 -9.549 0.372 258 HB THR 35 HB THR 35 -1.554 -8.967 -0.642 259 HG1 THR 35 HG1 THR 35 -0.392 -10.567 -2.619 260 HG21 THR 35 3HG2 THR 35 -0.747 -7.196 -2.150 261 HG22 THR 35 1HG2 THR 35 -1.725 -8.389 -3.003 262 HG23 THR 35 2HG2 THR 35 0.032 -8.418 -3.154 263 H GLY 36 H GLY 36 2.141 -10.884 -0.346 264 HA2 GLY 36 1HA GLY 36 3.281 -11.223 -2.748 265 HA3 GLY 36 2HA GLY 36 4.147 -9.814 -2.153 266 H SER 37 H SER 37 3.369 -13.185 -1.423 267 HA SER 37 HA SER 37 5.624 -13.311 0.436 268 HB2 SER 37 1HB SER 37 3.273 -15.097 -0.121 269 HB3 SER 37 2HB SER 37 4.689 -15.729 0.719 270 HG SER 37 HG SER 37 4.254 -13.569 1.978 271 H GLY 38 H GLY 38 7.502 -13.524 -0.639 272 HA2 GLY 38 1HA GLY 38 8.854 -15.473 -1.496 273 HA3 GLY 38 2HA GLY 38 7.634 -15.580 -2.756 274 HA PRO 39 HA PRO 39 11.091 -13.064 -4.466 275 HB2 PRO 39 1HB PRO 39 10.953 -14.166 -6.944 276 HB3 PRO 39 2HB PRO 39 11.878 -14.888 -5.622 277 HG2 PRO 39 1HG PRO 39 9.148 -15.591 -6.630 278 HG3 PRO 39 2HG PRO 39 10.477 -16.666 -6.155 279 HD2 PRO 39 1HD PRO 39 8.379 -16.137 -4.527 280 HD3 PRO 39 2HD PRO 39 10.012 -16.455 -3.908 281 H SER 40 H SER 40 7.767 -13.448 -5.075 282 HA SER 40 HA SER 40 7.599 -11.579 -7.263 283 HB2 SER 40 1HB SER 40 5.145 -11.800 -6.934 284 HB3 SER 40 2HB SER 40 5.948 -13.360 -7.106 285 HG SER 40 HG SER 40 5.308 -13.863 -5.175 286 H SER 41 H SER 41 7.484 -9.440 -7.120 287 HA SER 41 HA SER 41 7.249 -7.332 -6.295 288 HB2 SER 41 1HB SER 41 4.988 -8.373 -5.570 289 HB3 SER 41 2HB SER 41 5.699 -8.422 -3.957 290 HG SER 41 HG SER 41 4.449 -6.443 -4.795 291 H GLY 42 H GLY 42 9.563 -8.728 -5.654 292 HA2 GLY 42 1HA GLY 42 11.373 -7.851 -4.351 293 HA3 GLY 42 2HA GLY 42 10.224 -7.478 -3.075 Start of MODEL 2 1 H1 GLY 1 H GLY 1 18.215 24.226 5.969 2 HA2 GLY 1 1HA GLY 1 15.801 24.651 6.398 3 HA3 GLY 1 2HA GLY 1 16.248 25.048 4.746 4 H SER 2 H SER 2 14.024 23.475 6.583 5 HA SER 2 HA SER 2 13.548 21.121 5.080 6 HB2 SER 2 1HB SER 2 11.474 20.961 6.288 7 HB3 SER 2 2HB SER 2 12.695 21.571 7.405 8 HG SER 2 HG SER 2 11.782 23.727 6.514 9 H SER 3 H SER 3 11.370 20.785 3.953 10 HA SER 3 HA SER 3 10.562 23.124 2.387 11 HB2 SER 3 1HB SER 3 11.787 20.608 1.327 12 HB3 SER 3 2HB SER 3 10.547 21.419 0.371 13 HG SER 3 HG SER 3 12.109 22.665 -0.257 14 H GLY 4 H GLY 4 8.423 23.288 2.364 15 HA2 GLY 4 1HA GLY 4 6.830 20.913 3.041 16 HA3 GLY 4 2HA GLY 4 6.302 22.582 3.198 17 H SER 5 H SER 5 4.893 23.254 1.734 18 HA SER 5 HA SER 5 3.595 23.341 -0.134 19 HB2 SER 5 1HB SER 5 6.161 22.429 -1.460 20 HB3 SER 5 2HB SER 5 4.759 23.084 -2.306 21 HG SER 5 HG SER 5 5.788 24.902 -1.985 22 H SER 6 H SER 6 3.317 21.023 1.373 23 HA SER 6 HA SER 6 2.583 19.102 -0.724 24 HB2 SER 6 1HB SER 6 4.601 18.203 0.260 25 HB3 SER 6 2HB SER 6 3.967 18.448 1.887 26 HG SER 6 HG SER 6 3.780 16.263 1.055 27 H GLY 7 H GLY 7 0.545 18.392 -0.579 28 HA2 GLY 7 1HA GLY 7 -0.863 17.834 1.767 29 HA3 GLY 7 2HA GLY 7 -1.245 19.487 1.311 30 H GLY 8 H GLY 8 -1.896 16.191 0.770 31 HA2 GLY 8 1HA GLY 8 -3.833 16.944 -1.313 32 HA3 GLY 8 2HA GLY 8 -2.755 15.585 -1.592 33 H GLU 9 H GLU 9 -5.741 16.535 -0.397 34 HA GLU 9 HA GLU 9 -6.324 14.894 1.712 35 HB2 GLU 9 1HB GLU 9 -8.061 15.572 -0.665 36 HB3 GLU 9 2HB GLU 9 -8.660 14.808 0.801 37 HG2 GLU 9 1HG GLU 9 -7.988 16.749 2.104 38 HG3 GLU 9 2HG GLU 9 -7.352 17.515 0.650 39 H LYS 10 H LYS 10 -6.576 12.770 2.059 40 HA LYS 10 HA LYS 10 -6.249 10.974 -0.247 41 HB2 LYS 10 1HB LYS 10 -5.733 10.431 2.683 42 HB3 LYS 10 2HB LYS 10 -5.437 9.310 1.361 43 HG2 LYS 10 1HG LYS 10 -3.337 10.123 1.626 44 HG3 LYS 10 2HG LYS 10 -3.952 11.315 0.478 45 HD2 LYS 10 1HD LYS 10 -4.234 12.938 2.131 46 HD3 LYS 10 2HD LYS 10 -4.205 11.748 3.435 47 HE2 LYS 10 1HE LYS 10 -1.808 12.192 1.690 48 HE3 LYS 10 2HE LYS 10 -2.134 13.244 3.066 49 HZ1 LYS 10 3HZ LYS 10 -1.587 10.335 3.086 50 HZ2 LYS 10 1HZ LYS 10 -2.259 11.135 4.418 51 HZ3 LYS 10 2HZ LYS 10 -0.722 11.567 3.858 52 HA PRO 11 HA PRO 11 -10.633 10.414 1.209 53 HB2 PRO 11 1HB PRO 11 -11.718 10.451 -1.279 54 HB3 PRO 11 2HB PRO 11 -11.433 11.917 -0.334 55 HG2 PRO 11 1HG PRO 11 -9.786 10.733 -2.535 56 HG3 PRO 11 2HG PRO 11 -10.220 12.428 -2.250 57 HD2 PRO 11 1HD PRO 11 -7.802 11.411 -1.581 58 HD3 PRO 11 2HD PRO 11 -8.580 12.711 -0.656 59 H TYR 12 H TYR 12 -8.287 8.682 -0.312 60 HA TYR 12 HA TYR 12 -10.055 6.355 -0.700 61 HB2 TYR 12 1HB TYR 12 -7.458 7.023 -2.098 62 HB3 TYR 12 2HB TYR 12 -8.322 5.500 -2.277 63 HD1 TYR 12 HD1 TYR 12 -8.510 9.138 -2.913 64 HD2 TYR 12 HD2 TYR 12 -10.193 5.316 -3.728 65 HE1 TYR 12 HE1 TYR 12 -9.850 10.121 -4.726 66 HE2 TYR 12 HE2 TYR 12 -11.537 6.289 -5.544 67 HH TYR 12 HH TYR 12 -11.419 8.286 -7.056 68 HA PRO 13 HA PRO 13 -7.395 5.320 2.896 69 HB2 PRO 13 1HB PRO 13 -9.291 3.814 4.124 70 HB3 PRO 13 2HB PRO 13 -9.203 5.572 4.292 71 HG2 PRO 13 1HG PRO 13 -10.966 3.924 2.521 72 HG3 PRO 13 2HG PRO 13 -11.375 5.349 3.494 73 HD2 PRO 13 1HD PRO 13 -10.929 5.486 0.826 74 HD3 PRO 13 2HD PRO 13 -10.526 6.816 1.931 75 H CYS 14 H CYS 14 -6.294 3.432 3.317 76 HA CYS 14 HA CYS 14 -6.325 1.437 1.272 77 HB2 CYS 14 1HB CYS 14 -4.212 1.998 2.244 78 HB3 CYS 14 2HB CYS 14 -4.806 1.679 3.870 79 H GLU 15 H GLU 15 -6.469 -0.901 1.732 80 HA GLU 15 HA GLU 15 -8.722 -1.426 3.536 81 HB2 GLU 15 1HB GLU 15 -9.064 -3.472 2.219 82 HB3 GLU 15 2HB GLU 15 -9.085 -2.037 1.205 83 HG2 GLU 15 1HG GLU 15 -6.813 -2.485 0.482 84 HG3 GLU 15 2HG GLU 15 -6.741 -3.894 1.538 85 H ILE 16 H ILE 16 -5.472 -2.516 2.725 86 HA ILE 16 HA ILE 16 -5.398 -4.722 4.492 87 HB ILE 16 HB ILE 16 -3.098 -3.052 3.468 88 HG12 ILE 16 1HG1 ILE 16 -2.978 -5.287 2.007 89 HG13 ILE 16 2HG1 ILE 16 -4.712 -5.270 2.308 90 HG21 ILE 16 1HG2 ILE 16 -3.260 -5.536 5.078 91 HG22 ILE 16 2HG2 ILE 16 -2.019 -5.455 3.828 92 HG23 ILE 16 3HG2 ILE 16 -2.063 -4.241 5.107 93 HD11 ILE 16 3HD1 ILE 16 -3.196 -3.771 0.420 94 HD12 ILE 16 1HD1 ILE 16 -4.945 -3.853 0.632 95 HD13 ILE 16 2HD1 ILE 16 -4.002 -2.664 1.531 96 H CYS 17 H CYS 17 -3.499 -1.729 4.841 97 HA CYS 17 HA CYS 17 -3.539 -2.069 7.732 98 HB2 CYS 17 1HB CYS 17 -1.899 -0.199 7.722 99 HB3 CYS 17 2HB CYS 17 -1.394 -1.565 6.733 100 H GLY 18 H GLY 18 -4.407 0.405 5.328 101 HA2 GLY 18 1HA GLY 18 -6.705 1.370 5.877 102 HA3 GLY 18 2HA GLY 18 -5.971 1.772 7.422 103 H THR 19 H THR 19 -3.389 2.289 5.865 104 HA THR 19 HA THR 19 -3.347 5.002 5.851 105 HB THR 19 HB THR 19 -1.865 3.079 4.067 106 HG1 THR 19 HG1 THR 19 -0.155 4.105 5.548 107 HG21 THR 19 3HG2 THR 19 -1.720 6.077 4.162 108 HG22 THR 19 1HG2 THR 19 -1.790 5.016 2.755 109 HG23 THR 19 2HG2 THR 19 -0.315 5.107 3.718 110 H ARG 20 H ARG 20 -3.909 6.660 4.519 111 HA ARG 20 HA ARG 20 -5.621 5.963 2.238 112 HB2 ARG 20 1HB ARG 20 -5.409 8.664 3.560 113 HB3 ARG 20 2HB ARG 20 -6.687 8.072 2.507 114 HG2 ARG 20 1HG ARG 20 -7.697 6.881 4.166 115 HG3 ARG 20 2HG ARG 20 -6.191 6.620 5.047 116 HD2 ARG 20 1HD ARG 20 -6.291 8.660 6.095 117 HD3 ARG 20 2HD ARG 20 -7.249 9.393 4.809 118 HE ARG 20 HE ARG 20 -8.656 7.344 6.240 119 HH11 ARG 20 1HH1 ARG 20 -7.767 10.710 6.228 120 HH12 ARG 20 2HH1 ARG 20 -9.109 11.203 7.208 121 HH21 ARG 20 1HH2 ARG 20 -10.426 7.980 7.531 122 HH22 ARG 20 2HH2 ARG 20 -10.620 9.649 7.949 123 H PHE 21 H PHE 21 -5.353 6.937 0.226 124 HA PHE 21 HA PHE 21 -2.798 8.351 -0.164 125 HB2 PHE 21 1HB PHE 21 -4.070 6.207 -1.864 126 HB3 PHE 21 2HB PHE 21 -2.786 7.253 -2.458 127 HD1 PHE 21 HD2 PHE 21 -3.592 4.837 0.244 128 HD2 PHE 21 HD1 PHE 21 -0.561 6.706 -2.089 129 HE1 PHE 21 HE2 PHE 21 -1.915 3.319 1.213 130 HE2 PHE 21 HE1 PHE 21 1.120 5.190 -1.124 131 HZ PHE 21 HZ PHE 21 0.445 3.495 0.530 132 H ARG 22 H ARG 22 -2.795 10.114 -1.488 133 HA ARG 22 HA ARG 22 -4.920 11.749 -1.759 134 HB2 ARG 22 1HB ARG 22 -2.408 12.030 -2.477 135 HB3 ARG 22 2HB ARG 22 -3.025 11.613 -4.070 136 HG2 ARG 22 1HG ARG 22 -4.474 13.503 -4.088 137 HG3 ARG 22 2HG ARG 22 -4.126 13.853 -2.393 138 HD2 ARG 22 1HD ARG 22 -1.840 14.398 -2.929 139 HD3 ARG 22 2HD ARG 22 -2.079 13.906 -4.605 140 HE ARG 22 HE ARG 22 -2.796 16.413 -3.425 141 HH11 ARG 22 1HH1 ARG 22 -3.584 14.137 -5.939 142 HH12 ARG 22 2HH1 ARG 22 -4.317 15.325 -6.965 143 HH21 ARG 22 1HH2 ARG 22 -3.758 17.987 -4.767 144 HH22 ARG 22 2HH2 ARG 22 -4.414 17.515 -6.298 145 H HIS 23 H HIS 23 -3.897 9.399 -4.231 146 HA HIS 23 HA HIS 23 -6.622 9.537 -5.347 147 HB2 HIS 23 1HB HIS 23 -3.958 9.485 -6.698 148 HB3 HIS 23 2HB HIS 23 -5.316 8.690 -7.489 149 HD2 HIS 23 HD2 HIS 23 -5.815 12.094 -5.618 150 HE1 HIS 23 HE1 HIS 23 -6.272 12.738 -9.787 151 HE2 HIS 23 HE2 HIS 23 -6.379 13.780 -7.496 152 H LEU 24 H LEU 24 -7.302 7.540 -6.484 153 HA LEU 24 HA LEU 24 -6.830 5.262 -4.821 154 HB2 LEU 24 1HB LEU 24 -9.002 5.899 -5.961 155 HB3 LEU 24 2HB LEU 24 -8.285 5.293 -7.452 156 HG LEU 24 HG LEU 24 -8.341 3.080 -6.723 157 HD11 LEU 24 1HD1 LEU 24 -8.369 4.281 -4.004 158 HD12 LEU 24 2HD1 LEU 24 -7.402 2.954 -4.646 159 HD13 LEU 24 3HD1 LEU 24 -9.095 2.689 -4.230 160 HD21 LEU 24 3HD2 LEU 24 -10.777 4.438 -5.576 161 HD22 LEU 24 1HD2 LEU 24 -10.640 2.713 -5.917 162 HD23 LEU 24 2HD2 LEU 24 -10.565 3.881 -7.236 163 H GLN 25 H GLN 25 -6.300 5.873 -8.295 164 HA GLN 25 HA GLN 25 -5.139 3.596 -9.133 165 HB2 GLN 25 1HB GLN 25 -3.693 4.973 -10.626 166 HB3 GLN 25 2HB GLN 25 -5.382 5.462 -10.629 167 HG2 GLN 25 1HG GLN 25 -4.958 7.423 -9.494 168 HG3 GLN 25 2HG GLN 25 -3.448 6.821 -8.810 169 HE21 GLN 25 1HE2 GLN 25 -4.730 8.875 -11.020 170 HE22 GLN 25 2HE2 GLN 25 -3.382 9.036 -12.089 171 H THR 26 H THR 26 -3.708 5.932 -6.957 172 HA THR 26 HA THR 26 -1.097 4.716 -7.009 173 HB THR 26 HB THR 26 -2.219 6.726 -5.047 174 HG1 THR 26 HG1 THR 26 -2.078 7.306 -7.388 175 HG21 THR 26 3HG2 THR 26 0.075 5.237 -4.823 176 HG22 THR 26 1HG2 THR 26 -0.204 6.801 -4.059 177 HG23 THR 26 2HG2 THR 26 0.653 6.711 -5.598 178 H LEU 27 H LEU 27 -3.871 4.748 -4.809 179 HA LEU 27 HA LEU 27 -2.733 3.322 -2.695 180 HB2 LEU 27 1HB LEU 27 -4.815 4.422 -2.378 181 HB3 LEU 27 2HB LEU 27 -5.567 3.510 -3.684 182 HG LEU 27 HG LEU 27 -5.658 1.535 -2.370 183 HD11 LEU 27 1HD1 LEU 27 -3.389 1.876 -1.346 184 HD12 LEU 27 2HD1 LEU 27 -4.623 1.243 -0.257 185 HD13 LEU 27 3HD1 LEU 27 -4.161 2.943 -0.172 186 HD21 LEU 27 3HD2 LEU 27 -7.431 2.259 -1.246 187 HD22 LEU 27 1HD2 LEU 27 -6.930 3.909 -1.620 188 HD23 LEU 27 2HD2 LEU 27 -6.415 3.151 -0.113 189 H LYS 28 H LYS 28 -4.593 2.137 -5.485 190 HA LYS 28 HA LYS 28 -4.647 -0.557 -4.902 191 HB2 LYS 28 1HB LYS 28 -4.390 0.844 -7.564 192 HB3 LYS 28 2HB LYS 28 -4.660 -0.888 -7.413 193 HG2 LYS 28 1HG LYS 28 -6.797 -0.598 -6.520 194 HG3 LYS 28 2HG LYS 28 -6.497 1.096 -6.121 195 HD2 LYS 28 1HD LYS 28 -6.731 1.786 -8.327 196 HD3 LYS 28 2HD LYS 28 -6.411 0.173 -8.969 197 HE2 LYS 28 1HE LYS 28 -8.837 0.729 -7.296 198 HE3 LYS 28 2HE LYS 28 -8.827 1.068 -9.026 199 HZ1 LYS 28 3HZ LYS 28 -9.643 -1.216 -8.183 200 HZ2 LYS 28 1HZ LYS 28 -7.996 -1.580 -8.046 201 HZ3 LYS 28 2HZ LYS 28 -8.645 -1.152 -9.548 202 H SER 29 H SER 29 -1.973 1.393 -5.959 203 HA SER 29 HA SER 29 -0.314 -0.900 -6.594 204 HB2 SER 29 1HB SER 29 -0.127 1.213 -7.889 205 HB3 SER 29 2HB SER 29 0.439 2.028 -6.432 206 HG SER 29 HG SER 29 2.318 1.008 -6.566 207 H HIS 30 H HIS 30 -1.051 1.055 -3.881 208 HA HIS 30 HA HIS 30 1.394 0.671 -2.452 209 HB2 HIS 30 1HB HIS 30 0.286 2.500 -1.614 210 HB3 HIS 30 2HB HIS 30 -1.303 1.772 -1.830 211 HD1 HIS 30 HD1 HIS 30 1.709 1.438 0.461 212 HD2 HIS 30 HD2 HIS 30 -2.399 0.814 0.460 213 HE1 HIS 30 HE1 HIS 30 1.126 0.798 2.822 214 H LEU 31 H LEU 31 -1.340 -1.274 -3.069 215 HA LEU 31 HA LEU 31 -1.183 -2.891 -0.706 216 HB2 LEU 31 1HB LEU 31 -2.414 -3.884 -3.227 217 HB3 LEU 31 2HB LEU 31 -2.949 -4.086 -1.560 218 HG LEU 31 HG LEU 31 -3.330 -1.718 -3.372 219 HD11 LEU 31 1HD1 LEU 31 -5.196 -3.504 -1.821 220 HD12 LEU 31 2HD1 LEU 31 -5.005 -3.426 -3.572 221 HD13 LEU 31 3HD1 LEU 31 -5.692 -2.056 -2.698 222 HD21 LEU 31 3HD2 LEU 31 -3.521 -1.864 -0.377 223 HD22 LEU 31 1HD2 LEU 31 -4.432 -0.687 -1.323 224 HD23 LEU 31 2HD2 LEU 31 -2.669 -0.680 -1.371 225 H ARG 32 H ARG 32 0.858 -2.566 -3.256 226 HA ARG 32 HA ARG 32 1.473 -5.265 -3.884 227 HB2 ARG 32 1HB ARG 32 2.732 -2.613 -4.363 228 HB3 ARG 32 2HB ARG 32 3.760 -4.032 -4.509 229 HG2 ARG 32 1HG ARG 32 2.985 -3.659 -6.670 230 HG3 ARG 32 2HG ARG 32 1.954 -4.957 -6.064 231 HD2 ARG 32 1HD ARG 32 0.395 -2.997 -5.340 232 HD3 ARG 32 2HD ARG 32 1.305 -2.079 -6.539 233 HE ARG 32 HE ARG 32 0.261 -3.267 -8.206 234 HH11 ARG 32 1HH1 ARG 32 -0.335 -4.791 -5.133 235 HH12 ARG 32 2HH1 ARG 32 -1.529 -5.880 -5.757 236 HH21 ARG 32 1HH2 ARG 32 -1.309 -4.696 -9.040 237 HH22 ARG 32 2HH2 ARG 32 -2.081 -5.826 -7.980 238 H ILE 33 H ILE 33 2.507 -3.057 -1.384 239 HA ILE 33 HA ILE 33 4.698 -4.727 -0.522 240 HB ILE 33 HB ILE 33 5.101 -3.127 1.180 241 HG12 ILE 33 1HG1 ILE 33 2.422 -1.866 0.568 242 HG13 ILE 33 2HG1 ILE 33 2.701 -2.972 1.908 243 HG21 ILE 33 1HG2 ILE 33 4.663 -2.311 -1.538 244 HG22 ILE 33 2HG2 ILE 33 4.383 -0.960 -0.441 245 HG23 ILE 33 3HG2 ILE 33 5.925 -1.815 -0.411 246 HD11 ILE 33 3HD1 ILE 33 4.357 -0.505 1.617 247 HD12 ILE 33 1HD1 ILE 33 2.746 -0.430 2.330 248 HD13 ILE 33 2HD1 ILE 33 3.990 -1.444 3.064 249 H HIS 34 H HIS 34 1.338 -4.604 -0.001 250 HA HIS 34 HA HIS 34 1.390 -5.796 2.631 251 HB2 HIS 34 1HB HIS 34 -0.799 -5.106 0.684 252 HB3 HIS 34 2HB HIS 34 -1.127 -6.058 2.129 253 HD1 HIS 34 HD1 HIS 34 0.300 -4.646 4.304 254 HD2 HIS 34 HD2 HIS 34 -1.589 -2.588 1.229 255 HE1 HIS 34 HE1 HIS 34 -0.145 -2.342 5.210 256 H THR 35 H THR 35 0.536 -6.840 -0.657 257 HA THR 35 HA THR 35 0.691 -9.632 0.274 258 HB THR 35 HB THR 35 -1.517 -8.994 -0.633 259 HG1 THR 35 HG1 THR 35 0.088 -11.005 -1.591 260 HG21 THR 35 3HG2 THR 35 -0.430 -7.353 -2.311 261 HG22 THR 35 1HG2 THR 35 -1.858 -8.255 -2.819 262 HG23 THR 35 2HG2 THR 35 -0.256 -8.770 -3.346 263 H GLY 36 H GLY 36 2.447 -10.705 -0.334 264 HA2 GLY 36 1HA GLY 36 3.540 -10.261 -3.014 265 HA3 GLY 36 2HA GLY 36 4.616 -10.010 -1.646 266 H SER 37 H SER 37 5.215 -11.863 -3.592 267 HA SER 37 HA SER 37 4.693 -14.431 -2.241 268 HB2 SER 37 1HB SER 37 3.851 -14.148 -4.628 269 HB3 SER 37 2HB SER 37 5.544 -14.106 -5.121 270 HG SER 37 HG SER 37 5.633 -16.182 -3.840 271 H GLY 38 H GLY 38 6.422 -14.323 -0.808 272 HA2 GLY 38 1HA GLY 38 8.584 -15.294 -0.467 273 HA3 GLY 38 2HA GLY 38 9.046 -14.742 -2.070 274 HA PRO 39 HA PRO 39 10.316 -11.741 1.422 275 HB2 PRO 39 1HB PRO 39 12.933 -12.431 1.642 276 HB3 PRO 39 2HB PRO 39 11.660 -13.162 2.628 277 HG2 PRO 39 1HG PRO 39 12.984 -14.217 0.160 278 HG3 PRO 39 2HG PRO 39 12.566 -15.070 1.657 279 HD2 PRO 39 1HD PRO 39 11.057 -15.237 -0.585 280 HD3 PRO 39 2HD PRO 39 10.358 -15.323 1.044 281 H SER 40 H SER 40 10.244 -9.980 0.111 282 HA SER 40 HA SER 40 12.297 -9.718 -1.976 283 HB2 SER 40 1HB SER 40 9.946 -9.468 -2.711 284 HB3 SER 40 2HB SER 40 9.754 -8.117 -1.593 285 HG SER 40 HG SER 40 11.481 -7.082 -2.773 286 H SER 41 H SER 41 13.954 -8.398 -1.653 287 HA SER 41 HA SER 41 14.517 -7.088 0.698 288 HB2 SER 41 1HB SER 41 16.089 -7.590 -1.250 289 HB3 SER 41 2HB SER 41 15.499 -6.097 -1.980 290 HG SER 41 HG SER 41 16.359 -5.978 0.667 291 H GLY 42 H GLY 42 13.007 -5.763 1.581 292 HA2 GLY 42 1HA GLY 42 12.743 -3.128 0.451 293 HA3 GLY 42 2HA GLY 42 11.244 -4.046 0.419 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.453 18.698 23.574 2 HA2 GLY 1 1HA GLY 1 -5.250 18.644 22.912 3 HA3 GLY 1 2HA GLY 1 -5.608 17.151 22.057 4 H SER 2 H SER 2 -4.294 17.786 20.311 5 HA SER 2 HA SER 2 -5.636 19.641 18.485 6 HB2 SER 2 1HB SER 2 -3.692 20.878 17.985 7 HB3 SER 2 2HB SER 2 -3.678 20.746 19.743 8 HG SER 2 HG SER 2 -1.735 20.113 18.208 9 H SER 3 H SER 3 -6.043 18.586 16.670 10 HA SER 3 HA SER 3 -4.971 16.068 16.031 11 HB2 SER 3 1HB SER 3 -7.171 17.094 15.227 12 HB3 SER 3 2HB SER 3 -6.209 17.952 14.023 13 HG SER 3 HG SER 3 -6.823 16.091 13.048 14 H GLY 4 H GLY 4 -4.472 19.178 14.343 15 HA2 GLY 4 1HA GLY 4 -2.474 20.034 13.498 16 HA3 GLY 4 2HA GLY 4 -1.669 18.539 13.953 17 H SER 5 H SER 5 -3.712 20.071 11.534 18 HA SER 5 HA SER 5 -4.229 18.194 9.700 19 HB2 SER 5 1HB SER 5 -4.623 20.638 9.395 20 HB3 SER 5 2HB SER 5 -2.919 20.827 8.981 21 HG SER 5 HG SER 5 -3.423 20.242 7.039 22 H SER 6 H SER 6 -3.191 17.162 7.970 23 HA SER 6 HA SER 6 -0.272 16.936 8.289 24 HB2 SER 6 1HB SER 6 -2.309 14.922 7.319 25 HB3 SER 6 2HB SER 6 -0.566 14.680 7.199 26 HG SER 6 HG SER 6 -1.933 15.209 9.628 27 H GLY 7 H GLY 7 -2.855 16.814 5.840 28 HA2 GLY 7 1HA GLY 7 -2.564 18.345 3.917 29 HA3 GLY 7 2HA GLY 7 -0.884 17.831 3.885 30 H GLY 8 H GLY 8 -3.755 17.478 2.362 31 HA2 GLY 8 1HA GLY 8 -3.742 16.054 0.377 32 HA3 GLY 8 2HA GLY 8 -2.992 14.806 1.361 33 H GLU 9 H GLU 9 -5.779 15.609 -0.097 34 HA GLU 9 HA GLU 9 -7.781 15.168 1.807 35 HB2 GLU 9 1HB GLU 9 -7.733 14.613 -1.161 36 HB3 GLU 9 2HB GLU 9 -9.179 14.479 -0.170 37 HG2 GLU 9 1HG GLU 9 -7.559 16.998 -0.438 38 HG3 GLU 9 2HG GLU 9 -8.965 16.616 -1.430 39 H LYS 10 H LYS 10 -6.068 12.887 -0.300 40 HA LYS 10 HA LYS 10 -6.166 10.586 -0.407 41 HB2 LYS 10 1HB LYS 10 -5.769 11.050 2.556 42 HB3 LYS 10 2HB LYS 10 -5.408 9.554 1.703 43 HG2 LYS 10 1HG LYS 10 -3.568 10.448 0.635 44 HG3 LYS 10 2HG LYS 10 -4.133 12.109 0.831 45 HD2 LYS 10 1HD LYS 10 -3.397 10.415 3.197 46 HD3 LYS 10 2HD LYS 10 -2.176 11.315 2.295 47 HE2 LYS 10 1HE LYS 10 -3.360 13.393 2.729 48 HE3 LYS 10 2HE LYS 10 -4.637 12.512 3.567 49 HZ1 LYS 10 3HZ LYS 10 -3.399 13.090 5.348 50 HZ2 LYS 10 1HZ LYS 10 -1.957 13.205 4.471 51 HZ3 LYS 10 2HZ LYS 10 -2.539 11.690 4.945 52 HA PRO 11 HA PRO 11 -10.568 10.408 1.330 53 HB2 PRO 11 1HB PRO 11 -11.868 10.417 -1.053 54 HB3 PRO 11 2HB PRO 11 -11.478 11.896 -0.166 55 HG2 PRO 11 1HG PRO 11 -10.051 10.643 -2.480 56 HG3 PRO 11 2HG PRO 11 -10.432 12.351 -2.192 57 HD2 PRO 11 1HD PRO 11 -7.979 11.306 -1.718 58 HD3 PRO 11 2HD PRO 11 -8.653 12.636 -0.754 59 H TYR 12 H TYR 12 -8.392 8.610 -0.358 60 HA TYR 12 HA TYR 12 -10.226 6.312 -0.571 61 HB2 TYR 12 1HB TYR 12 -7.698 6.882 -2.129 62 HB3 TYR 12 2HB TYR 12 -8.626 5.390 -2.237 63 HD1 TYR 12 HD1 TYR 12 -8.754 9.036 -2.876 64 HD2 TYR 12 HD2 TYR 12 -10.547 5.248 -3.610 65 HE1 TYR 12 HE1 TYR 12 -10.162 10.047 -4.622 66 HE2 TYR 12 HE2 TYR 12 -11.959 6.248 -5.359 67 HH TYR 12 HH TYR 12 -11.396 9.335 -6.633 68 HA PRO 13 HA PRO 13 -7.397 5.263 2.881 69 HB2 PRO 13 1HB PRO 13 -9.240 3.777 4.209 70 HB3 PRO 13 2HB PRO 13 -9.132 5.534 4.362 71 HG2 PRO 13 1HG PRO 13 -10.990 3.889 2.688 72 HG3 PRO 13 2HG PRO 13 -11.343 5.322 3.671 73 HD2 PRO 13 1HD PRO 13 -11.026 5.441 0.985 74 HD3 PRO 13 2HD PRO 13 -10.561 6.774 2.061 75 H CYS 14 H CYS 14 -6.249 3.397 3.201 76 HA CYS 14 HA CYS 14 -6.377 1.396 1.188 77 HB2 CYS 14 1HB CYS 14 -4.238 1.931 2.123 78 HB3 CYS 14 2HB CYS 14 -4.802 1.596 3.757 79 H GLU 15 H GLU 15 -6.538 -0.944 1.634 80 HA GLU 15 HA GLU 15 -8.776 -1.455 3.456 81 HB2 GLU 15 1HB GLU 15 -9.242 -2.130 1.211 82 HB3 GLU 15 2HB GLU 15 -7.704 -2.971 1.079 83 HG2 GLU 15 1HG GLU 15 -9.102 -4.734 1.407 84 HG3 GLU 15 2HG GLU 15 -8.660 -4.376 3.075 85 H ILE 16 H ILE 16 -5.531 -2.571 2.652 86 HA ILE 16 HA ILE 16 -5.451 -4.761 4.427 87 HB ILE 16 HB ILE 16 -3.172 -3.064 3.402 88 HG12 ILE 16 1HG1 ILE 16 -2.981 -5.339 2.011 89 HG13 ILE 16 2HG1 ILE 16 -4.718 -5.359 2.300 90 HG21 ILE 16 1HG2 ILE 16 -2.203 -5.596 3.868 91 HG22 ILE 16 2HG2 ILE 16 -1.955 -4.187 4.898 92 HG23 ILE 16 3HG2 ILE 16 -3.267 -5.314 5.246 93 HD11 ILE 16 3HD1 ILE 16 -3.257 -3.917 0.350 94 HD12 ILE 16 1HD1 ILE 16 -5.000 -3.966 0.613 95 HD13 ILE 16 2HD1 ILE 16 -4.017 -2.758 1.440 96 H CYS 17 H CYS 17 -3.589 -1.749 4.807 97 HA CYS 17 HA CYS 17 -3.721 -2.085 7.705 98 HB2 CYS 17 1HB CYS 17 -1.992 -0.321 7.764 99 HB3 CYS 17 2HB CYS 17 -1.520 -1.677 6.746 100 H GLY 18 H GLY 18 -4.369 0.409 5.249 101 HA2 GLY 18 1HA GLY 18 -6.660 1.460 5.706 102 HA3 GLY 18 2HA GLY 18 -5.953 1.869 7.262 103 H THR 19 H THR 19 -3.304 2.312 5.909 104 HA THR 19 HA THR 19 -3.187 5.005 5.783 105 HB THR 19 HB THR 19 -1.667 3.020 4.093 106 HG1 THR 19 HG1 THR 19 -1.216 2.921 6.304 107 HG21 THR 19 3HG2 THR 19 -0.063 4.828 3.642 108 HG22 THR 19 1HG2 THR 19 -1.146 5.977 4.426 109 HG23 THR 19 2HG2 THR 19 -1.644 5.170 2.939 110 H ARG 20 H ARG 20 -4.156 6.531 4.632 111 HA ARG 20 HA ARG 20 -5.604 5.843 2.222 112 HB2 ARG 20 1HB ARG 20 -5.324 8.584 3.448 113 HB3 ARG 20 2HB ARG 20 -6.593 8.005 2.377 114 HG2 ARG 20 1HG ARG 20 -7.674 6.864 4.044 115 HG3 ARG 20 2HG ARG 20 -6.207 6.662 5.004 116 HD2 ARG 20 1HD ARG 20 -6.377 8.734 5.952 117 HD3 ARG 20 2HD ARG 20 -7.210 9.422 4.558 118 HE ARG 20 HE ARG 20 -8.832 7.500 5.876 119 HH11 ARG 20 1HH1 ARG 20 -7.662 10.770 6.118 120 HH12 ARG 20 2HH1 ARG 20 -9.018 11.325 7.043 121 HH21 ARG 20 1HH2 ARG 20 -10.622 8.218 7.094 122 HH22 ARG 20 2HH2 ARG 20 -10.701 9.872 7.599 123 H PHE 21 H PHE 21 -5.464 7.334 0.312 124 HA PHE 21 HA PHE 21 -2.785 8.426 -0.123 125 HB2 PHE 21 1HB PHE 21 -4.106 6.303 -1.811 126 HB3 PHE 21 2HB PHE 21 -2.799 7.316 -2.417 127 HD1 PHE 21 HD2 PHE 21 -3.641 4.989 0.359 128 HD2 PHE 21 HD1 PHE 21 -0.600 6.677 -2.095 129 HE1 PHE 21 HE2 PHE 21 -1.996 3.444 1.340 130 HE2 PHE 21 HE1 PHE 21 1.049 5.134 -1.119 131 HZ PHE 21 HZ PHE 21 0.352 3.516 0.602 132 H ARG 22 H ARG 22 -2.774 10.264 -1.286 133 HA ARG 22 HA ARG 22 -4.883 11.888 -1.647 134 HB2 ARG 22 1HB ARG 22 -3.631 13.051 -3.409 135 HB3 ARG 22 2HB ARG 22 -2.584 12.592 -2.073 136 HG2 ARG 22 1HG ARG 22 -1.683 10.759 -3.331 137 HG3 ARG 22 2HG ARG 22 -2.837 11.039 -4.638 138 HD2 ARG 22 1HD ARG 22 -1.778 12.994 -5.320 139 HD3 ARG 22 2HD ARG 22 -0.956 13.201 -3.773 140 HE ARG 22 HE ARG 22 -0.105 11.559 -5.999 141 HH11 ARG 22 1HH1 ARG 22 0.241 12.289 -2.612 142 HH12 ARG 22 2HH1 ARG 22 1.824 11.596 -2.491 143 HH21 ARG 22 1HH2 ARG 22 1.980 10.644 -5.852 144 HH22 ARG 22 2HH2 ARG 22 2.813 10.662 -4.334 145 H HIS 23 H HIS 23 -3.796 9.463 -3.994 146 HA HIS 23 HA HIS 23 -6.379 9.772 -5.379 147 HB2 HIS 23 1HB HIS 23 -3.616 9.334 -6.459 148 HB3 HIS 23 2HB HIS 23 -5.011 8.747 -7.361 149 HD2 HIS 23 HD2 HIS 23 -4.728 12.271 -5.591 150 HE1 HIS 23 HE1 HIS 23 -5.398 12.813 -9.745 151 HE2 HIS 23 HE2 HIS 23 -5.061 13.955 -7.526 152 H LEU 24 H LEU 24 -7.124 7.785 -6.497 153 HA LEU 24 HA LEU 24 -6.962 5.547 -4.698 154 HB2 LEU 24 1HB LEU 24 -9.067 6.232 -5.780 155 HB3 LEU 24 2HB LEU 24 -8.381 5.805 -7.346 156 HG LEU 24 HG LEU 24 -9.963 4.120 -6.459 157 HD11 LEU 24 1HD1 LEU 24 -7.644 3.729 -7.798 158 HD12 LEU 24 2HD1 LEU 24 -8.825 2.463 -7.460 159 HD13 LEU 24 3HD1 LEU 24 -7.416 2.657 -6.416 160 HD21 LEU 24 3HD2 LEU 24 -9.854 3.369 -4.373 161 HD22 LEU 24 1HD2 LEU 24 -8.569 4.538 -4.069 162 HD23 LEU 24 2HD2 LEU 24 -8.166 2.898 -4.576 163 H GLN 25 H GLN 25 -6.470 5.812 -8.225 164 HA GLN 25 HA GLN 25 -5.443 3.442 -8.886 165 HB2 GLN 25 1HB GLN 25 -3.986 4.547 -10.525 166 HB3 GLN 25 2HB GLN 25 -5.577 5.295 -10.466 167 HG2 GLN 25 1HG GLN 25 -4.285 7.158 -10.494 168 HG3 GLN 25 2HG GLN 25 -4.378 6.898 -8.753 169 HE21 GLN 25 1HE2 GLN 25 -2.373 8.402 -9.566 170 HE22 GLN 25 2HE2 GLN 25 -0.869 7.554 -9.516 171 H THR 26 H THR 26 -3.579 5.980 -7.249 172 HA THR 26 HA THR 26 -1.128 4.628 -7.139 173 HB THR 26 HB THR 26 -2.220 6.624 -5.145 174 HG1 THR 26 HG1 THR 26 -1.901 8.021 -6.691 175 HG21 THR 26 3HG2 THR 26 -0.339 6.157 -4.024 176 HG22 THR 26 1HG2 THR 26 0.518 6.949 -5.346 177 HG23 THR 26 2HG2 THR 26 0.310 5.198 -5.354 178 H LEU 27 H LEU 27 -3.690 4.859 -4.670 179 HA LEU 27 HA LEU 27 -2.576 3.314 -2.692 180 HB2 LEU 27 1HB LEU 27 -4.602 4.404 -2.224 181 HB3 LEU 27 2HB LEU 27 -5.421 3.644 -3.587 182 HG LEU 27 HG LEU 27 -5.377 1.495 -2.398 183 HD11 LEU 27 1HD1 LEU 27 -3.357 1.873 -1.073 184 HD12 LEU 27 2HD1 LEU 27 -4.719 1.396 -0.060 185 HD13 LEU 27 3HD1 LEU 27 -4.212 3.084 -0.116 186 HD21 LEU 27 3HD2 LEU 27 -6.911 3.792 -1.756 187 HD22 LEU 27 1HD2 LEU 27 -6.623 2.895 -0.265 188 HD23 LEU 27 2HD2 LEU 27 -7.375 2.094 -1.645 189 H LYS 28 H LYS 28 -4.589 2.171 -5.396 190 HA LYS 28 HA LYS 28 -4.738 -0.497 -4.884 191 HB2 LYS 28 1HB LYS 28 -4.540 1.088 -7.394 192 HB3 LYS 28 2HB LYS 28 -4.356 -0.656 -7.522 193 HG2 LYS 28 1HG LYS 28 -6.522 -1.058 -6.733 194 HG3 LYS 28 2HG LYS 28 -6.687 0.581 -6.097 195 HD2 LYS 28 1HD LYS 28 -6.931 1.504 -8.245 196 HD3 LYS 28 2HD LYS 28 -6.319 0.048 -9.032 197 HE2 LYS 28 1HE LYS 28 -8.355 -1.135 -8.062 198 HE3 LYS 28 2HE LYS 28 -8.977 0.472 -7.692 199 HZ1 LYS 28 3HZ LYS 28 -9.812 0.398 -9.743 200 HZ2 LYS 28 1HZ LYS 28 -8.830 -0.897 -10.214 201 HZ3 LYS 28 2HZ LYS 28 -8.235 0.684 -10.285 202 H SER 29 H SER 29 -1.940 1.278 -6.042 203 HA SER 29 HA SER 29 -0.378 -1.097 -6.514 204 HB2 SER 29 1HB SER 29 0.125 1.851 -6.661 205 HB3 SER 29 2HB SER 29 1.501 0.750 -6.598 206 HG SER 29 HG SER 29 -0.580 0.257 -8.415 207 H HIS 30 H HIS 30 -0.797 1.239 -3.939 208 HA HIS 30 HA HIS 30 1.463 0.680 -2.402 209 HB2 HIS 30 1HB HIS 30 0.337 2.513 -1.596 210 HB3 HIS 30 2HB HIS 30 -1.247 1.783 -1.839 211 HD1 HIS 30 HD1 HIS 30 1.720 1.468 0.511 212 HD2 HIS 30 HD2 HIS 30 -2.383 0.821 0.432 213 HE1 HIS 30 HE1 HIS 30 1.094 0.833 2.863 214 H LEU 31 H LEU 31 -1.346 -1.210 -2.998 215 HA LEU 31 HA LEU 31 -1.245 -2.829 -0.658 216 HB2 LEU 31 1HB LEU 31 -2.352 -3.804 -3.254 217 HB3 LEU 31 2HB LEU 31 -2.932 -4.091 -1.615 218 HG LEU 31 HG LEU 31 -3.336 -1.674 -3.351 219 HD11 LEU 31 1HD1 LEU 31 -5.712 -2.112 -2.529 220 HD12 LEU 31 2HD1 LEU 31 -5.103 -3.672 -1.977 221 HD13 LEU 31 3HD1 LEU 31 -5.029 -3.253 -3.688 222 HD21 LEU 31 3HD2 LEU 31 -2.679 -0.733 -1.269 223 HD22 LEU 31 1HD2 LEU 31 -3.645 -1.899 -0.364 224 HD23 LEU 31 2HD2 LEU 31 -4.440 -0.660 -1.336 225 H ARG 32 H ARG 32 0.784 -2.597 -3.309 226 HA ARG 32 HA ARG 32 1.477 -5.261 -3.827 227 HB2 ARG 32 1HB ARG 32 2.778 -2.616 -4.215 228 HB3 ARG 32 2HB ARG 32 3.806 -4.039 -4.312 229 HG2 ARG 32 1HG ARG 32 3.134 -3.590 -6.513 230 HG3 ARG 32 2HG ARG 32 2.147 -4.956 -5.989 231 HD2 ARG 32 1HD ARG 32 0.454 -3.099 -5.292 232 HD3 ARG 32 2HD ARG 32 1.368 -2.104 -6.425 233 HE ARG 32 HE ARG 32 0.456 -3.291 -8.164 234 HH11 ARG 32 1HH1 ARG 32 -0.159 -4.957 -5.170 235 HH12 ARG 32 2HH1 ARG 32 -1.254 -6.098 -5.878 236 HH21 ARG 32 1HH2 ARG 32 -0.983 -4.788 -9.109 237 HH22 ARG 32 2HH2 ARG 32 -1.721 -6.002 -8.119 238 H ILE 33 H ILE 33 2.854 -2.930 -1.526 239 HA ILE 33 HA ILE 33 4.829 -4.663 -0.492 240 HB ILE 33 HB ILE 33 5.153 -3.083 1.251 241 HG12 ILE 33 1HG1 ILE 33 2.514 -1.799 0.533 242 HG13 ILE 33 2HG1 ILE 33 2.707 -2.946 1.854 243 HG21 ILE 33 1HG2 ILE 33 6.049 -2.033 -0.553 244 HG22 ILE 33 2HG2 ILE 33 4.527 -2.023 -1.442 245 HG23 ILE 33 3HG2 ILE 33 4.803 -0.851 -0.154 246 HD11 ILE 33 3HD1 ILE 33 3.997 -0.242 1.597 247 HD12 ILE 33 1HD1 ILE 33 2.741 -0.727 2.737 248 HD13 ILE 33 2HD1 ILE 33 4.363 -1.407 2.869 249 H HIS 34 H HIS 34 1.443 -4.486 -0.008 250 HA HIS 34 HA HIS 34 1.434 -5.748 2.583 251 HB2 HIS 34 1HB HIS 34 -0.704 -5.015 0.597 252 HB3 HIS 34 2HB HIS 34 -1.072 -6.001 2.009 253 HD1 HIS 34 HD1 HIS 34 0.512 -4.561 4.168 254 HD2 HIS 34 HD2 HIS 34 -1.720 -2.593 1.268 255 HE1 HIS 34 HE1 HIS 34 -0.008 -2.300 5.139 256 H THR 35 H THR 35 0.375 -6.757 -0.671 257 HA THR 35 HA THR 35 0.429 -9.546 0.198 258 HB THR 35 HB THR 35 -1.553 -8.850 -1.030 259 HG1 THR 35 HG1 THR 35 -0.960 -10.359 -3.012 260 HG21 THR 35 3HG2 THR 35 0.377 -8.172 -3.252 261 HG22 THR 35 1HG2 THR 35 -0.635 -7.041 -2.353 262 HG23 THR 35 2HG2 THR 35 -1.377 -8.230 -3.424 263 H GLY 36 H GLY 36 1.974 -10.952 -0.375 264 HA2 GLY 36 1HA GLY 36 3.522 -11.871 -1.958 265 HA3 GLY 36 2HA GLY 36 3.753 -10.256 -2.613 266 H SER 37 H SER 37 4.585 -8.658 -0.827 267 HA SER 37 HA SER 37 7.114 -9.722 0.030 268 HB2 SER 37 1HB SER 37 5.954 -6.978 0.560 269 HB3 SER 37 2HB SER 37 7.650 -7.448 0.668 270 HG SER 37 HG SER 37 6.265 -7.820 -1.744 271 H GLY 38 H GLY 38 7.939 -9.238 2.268 272 HA2 GLY 38 1HA GLY 38 6.345 -10.570 4.176 273 HA3 GLY 38 2HA GLY 38 7.835 -9.701 4.514 274 HA PRO 39 HA PRO 39 3.866 -7.436 5.982 275 HB2 PRO 39 1HB PRO 39 3.736 -8.312 8.548 276 HB3 PRO 39 2HB PRO 39 2.882 -9.103 7.218 277 HG2 PRO 39 1HG PRO 39 5.473 -9.851 8.516 278 HG3 PRO 39 2HG PRO 39 4.127 -10.895 8.023 279 HD2 PRO 39 1HD PRO 39 6.379 -10.625 6.544 280 HD3 PRO 39 2HD PRO 39 4.786 -10.914 5.814 281 H SER 40 H SER 40 7.105 -7.690 6.560 282 HA SER 40 HA SER 40 8.671 -6.297 7.446 283 HB2 SER 40 1HB SER 40 6.348 -4.379 7.765 284 HB3 SER 40 2HB SER 40 8.058 -3.955 7.856 285 HG SER 40 HG SER 40 6.753 -3.757 5.749 286 H SER 41 H SER 41 7.669 -8.212 9.132 287 HA SER 41 HA SER 41 7.251 -8.772 11.321 288 HB2 SER 41 1HB SER 41 9.721 -8.026 11.121 289 HB3 SER 41 2HB SER 41 9.204 -6.581 11.991 290 HG SER 41 HG SER 41 9.407 -9.218 12.869 291 H GLY 42 H GLY 42 5.270 -7.062 10.458 292 HA2 GLY 42 1HA GLY 42 4.116 -6.181 12.826 293 HA3 GLY 42 2HA GLY 42 4.917 -4.787 12.116 Start of MODEL 4 1 H1 GLY 1 H GLY 1 8.810 4.921 6.680 2 HA2 GLY 1 1HA GLY 1 7.071 5.616 5.273 3 HA3 GLY 1 2HA GLY 1 6.140 6.081 6.689 4 H SER 2 H SER 2 5.702 7.977 5.271 5 HA SER 2 HA SER 2 7.906 9.913 5.237 6 HB2 SER 2 1HB SER 2 5.335 9.677 3.701 7 HB3 SER 2 2HB SER 2 6.162 11.230 3.817 8 HG SER 2 HG SER 2 7.526 8.893 3.017 9 H SER 3 H SER 3 7.912 11.669 6.503 10 HA SER 3 HA SER 3 6.217 11.880 8.718 11 HB2 SER 3 1HB SER 3 8.557 12.876 8.395 12 HB3 SER 3 2HB SER 3 7.751 14.207 7.565 13 HG SER 3 HG SER 3 7.280 14.981 9.448 14 H GLY 4 H GLY 4 5.049 14.049 9.220 15 HA2 GLY 4 1HA GLY 4 2.666 14.229 8.013 16 HA3 GLY 4 2HA GLY 4 3.465 15.656 8.656 17 H SER 5 H SER 5 1.657 15.477 6.397 18 HA SER 5 HA SER 5 3.265 16.935 4.494 19 HB2 SER 5 1HB SER 5 3.687 14.770 3.588 20 HB3 SER 5 2HB SER 5 2.002 14.286 3.779 21 HG SER 5 HG SER 5 3.100 16.133 1.940 22 H SER 6 H SER 6 2.066 18.314 3.216 23 HA SER 6 HA SER 6 -0.850 18.271 3.640 24 HB2 SER 6 1HB SER 6 -0.745 20.786 3.561 25 HB3 SER 6 2HB SER 6 0.018 20.068 4.979 26 HG SER 6 HG SER 6 2.006 20.192 3.552 27 H GLY 7 H GLY 7 -2.086 19.436 1.964 28 HA2 GLY 7 1HA GLY 7 -2.474 20.136 -0.223 29 HA3 GLY 7 2HA GLY 7 -0.766 19.912 -0.570 30 H GLY 8 H GLY 8 -3.858 18.259 -0.214 31 HA2 GLY 8 1HA GLY 8 -4.299 16.702 -2.134 32 HA3 GLY 8 2HA GLY 8 -2.730 16.005 -1.757 33 H GLU 9 H GLU 9 -6.044 16.378 -0.673 34 HA GLU 9 HA GLU 9 -5.826 14.856 1.696 35 HB2 GLU 9 1HB GLU 9 -8.081 15.731 -0.057 36 HB3 GLU 9 2HB GLU 9 -8.387 14.500 1.159 37 HG2 GLU 9 1HG GLU 9 -8.954 16.577 2.125 38 HG3 GLU 9 2HG GLU 9 -7.433 16.072 2.859 39 H LYS 10 H LYS 10 -6.391 12.705 2.124 40 HA LYS 10 HA LYS 10 -6.137 10.922 -0.201 41 HB2 LYS 10 1HB LYS 10 -5.566 10.406 2.723 42 HB3 LYS 10 2HB LYS 10 -5.408 9.212 1.442 43 HG2 LYS 10 1HG LYS 10 -3.566 10.285 0.502 44 HG3 LYS 10 2HG LYS 10 -3.905 11.800 1.341 45 HD2 LYS 10 1HD LYS 10 -2.988 11.073 3.310 46 HD3 LYS 10 2HD LYS 10 -3.351 9.377 2.978 47 HE2 LYS 10 1HE LYS 10 -1.089 9.352 2.672 48 HE3 LYS 10 2HE LYS 10 -1.603 9.752 1.034 49 HZ1 LYS 10 3HZ LYS 10 -1.166 11.995 2.836 50 HZ2 LYS 10 1HZ LYS 10 -0.797 11.837 1.193 51 HZ3 LYS 10 2HZ LYS 10 0.216 11.144 2.357 52 HA PRO 11 HA PRO 11 -10.522 10.462 1.285 53 HB2 PRO 11 1HB PRO 11 -11.624 10.542 -1.194 54 HB3 PRO 11 2HB PRO 11 -11.295 11.994 -0.242 55 HG2 PRO 11 1HG PRO 11 -9.695 10.783 -2.463 56 HG3 PRO 11 2HG PRO 11 -10.084 12.487 -2.165 57 HD2 PRO 11 1HD PRO 11 -7.687 11.405 -1.520 58 HD3 PRO 11 2HD PRO 11 -8.425 12.718 -0.581 59 H TYR 12 H TYR 12 -8.232 8.679 -0.255 60 HA TYR 12 HA TYR 12 -10.061 6.400 -0.645 61 HB2 TYR 12 1HB TYR 12 -7.459 7.006 -2.062 62 HB3 TYR 12 2HB TYR 12 -8.371 5.512 -2.246 63 HD1 TYR 12 HD1 TYR 12 -8.446 9.157 -2.857 64 HD2 TYR 12 HD2 TYR 12 -10.266 5.399 -3.675 65 HE1 TYR 12 HE1 TYR 12 -9.772 10.196 -4.649 66 HE2 TYR 12 HE2 TYR 12 -11.596 6.427 -5.471 67 HH TYR 12 HH TYR 12 -12.437 8.928 -5.934 68 HA PRO 13 HA PRO 13 -7.394 5.278 2.919 69 HB2 PRO 13 1HB PRO 13 -9.313 3.809 4.155 70 HB3 PRO 13 2HB PRO 13 -9.182 5.562 4.333 71 HG2 PRO 13 1HG PRO 13 -11.000 3.969 2.568 72 HG3 PRO 13 2HG PRO 13 -11.366 5.397 3.553 73 HD2 PRO 13 1HD PRO 13 -10.941 5.540 0.883 74 HD3 PRO 13 2HD PRO 13 -10.497 6.853 1.992 75 H CYS 14 H CYS 14 -6.362 3.342 3.355 76 HA CYS 14 HA CYS 14 -6.459 1.364 1.286 77 HB2 CYS 14 1HB CYS 14 -4.315 1.864 2.213 78 HB3 CYS 14 2HB CYS 14 -4.886 1.577 3.854 79 H GLU 15 H GLU 15 -6.646 -0.972 1.747 80 HA GLU 15 HA GLU 15 -8.894 -1.448 3.568 81 HB2 GLU 15 1HB GLU 15 -9.398 -2.134 1.347 82 HB3 GLU 15 2HB GLU 15 -7.852 -2.952 1.174 83 HG2 GLU 15 1HG GLU 15 -9.354 -4.687 1.468 84 HG3 GLU 15 2HG GLU 15 -8.663 -4.467 3.075 85 H ILE 16 H ILE 16 -5.667 -2.615 2.759 86 HA ILE 16 HA ILE 16 -5.630 -4.788 4.568 87 HB ILE 16 HB ILE 16 -3.290 -3.194 3.514 88 HG12 ILE 16 1HG1 ILE 16 -3.263 -5.455 2.069 89 HG13 ILE 16 2HG1 ILE 16 -4.995 -5.337 2.356 90 HG21 ILE 16 1HG2 ILE 16 -3.050 -4.781 5.560 91 HG22 ILE 16 2HG2 ILE 16 -3.177 -6.059 4.352 92 HG23 ILE 16 3HG2 ILE 16 -1.879 -4.870 4.244 93 HD11 ILE 16 3HD1 ILE 16 -5.110 -3.957 0.636 94 HD12 ILE 16 1HD1 ILE 16 -4.191 -2.781 1.576 95 HD13 ILE 16 2HD1 ILE 16 -3.352 -3.900 0.501 96 H CYS 17 H CYS 17 -3.635 -1.853 4.849 97 HA CYS 17 HA CYS 17 -3.675 -2.128 7.745 98 HB2 CYS 17 1HB CYS 17 -1.966 -0.345 7.709 99 HB3 CYS 17 2HB CYS 17 -1.527 -1.703 6.678 100 H GLY 18 H GLY 18 -4.465 0.339 5.304 101 HA2 GLY 18 1HA GLY 18 -6.734 1.380 5.830 102 HA3 GLY 18 2HA GLY 18 -5.997 1.775 7.376 103 H THR 19 H THR 19 -3.382 2.251 5.955 104 HA THR 19 HA THR 19 -3.298 4.952 5.862 105 HB THR 19 HB THR 19 -1.768 2.940 4.232 106 HG1 THR 19 HG1 THR 19 -1.561 3.654 6.666 107 HG21 THR 19 3HG2 THR 19 -1.597 5.939 4.119 108 HG22 THR 19 1HG2 THR 19 -1.676 4.788 2.785 109 HG23 THR 19 2HG2 THR 19 -0.207 4.917 3.753 110 H ARG 20 H ARG 20 -4.046 6.552 4.618 111 HA ARG 20 HA ARG 20 -5.603 5.845 2.254 112 HB2 ARG 20 1HB ARG 20 -5.353 8.580 3.496 113 HB3 ARG 20 2HB ARG 20 -6.628 7.980 2.443 114 HG2 ARG 20 1HG ARG 20 -7.692 6.875 4.124 115 HG3 ARG 20 2HG ARG 20 -6.205 6.595 5.031 116 HD2 ARG 20 1HD ARG 20 -6.239 8.693 5.991 117 HD3 ARG 20 2HD ARG 20 -7.224 9.381 4.700 118 HE ARG 20 HE ARG 20 -8.600 7.391 6.242 119 HH11 ARG 20 1HH1 ARG 20 -7.716 10.753 6.066 120 HH12 ARG 20 2HH1 ARG 20 -9.037 11.287 7.052 121 HH21 ARG 20 1HH2 ARG 20 -10.343 8.080 7.541 122 HH22 ARG 20 2HH2 ARG 20 -10.531 9.765 7.891 123 H PHE 21 H PHE 21 -5.429 7.160 0.299 124 HA PHE 21 HA PHE 21 -2.767 8.334 -0.107 125 HB2 PHE 21 1HB PHE 21 -4.122 6.250 -1.816 126 HB3 PHE 21 2HB PHE 21 -2.812 7.260 -2.419 127 HD1 PHE 21 HD2 PHE 21 -3.662 4.856 0.281 128 HD2 PHE 21 HD1 PHE 21 -0.602 6.639 -2.080 129 HE1 PHE 21 HE2 PHE 21 -2.022 3.282 1.223 130 HE2 PHE 21 HE1 PHE 21 1.042 5.067 -1.143 131 HZ PHE 21 HZ PHE 21 0.334 3.387 0.512 132 H ARG 22 H ARG 22 -2.663 10.040 -1.541 133 HA ARG 22 HA ARG 22 -4.763 11.769 -1.765 134 HB2 ARG 22 1HB ARG 22 -3.526 12.825 -3.649 135 HB3 ARG 22 2HB ARG 22 -2.515 12.483 -2.251 136 HG2 ARG 22 1HG ARG 22 -1.999 10.268 -3.548 137 HG3 ARG 22 2HG ARG 22 -2.523 11.215 -4.943 138 HD2 ARG 22 1HD ARG 22 -0.852 12.887 -4.500 139 HD3 ARG 22 2HD ARG 22 -0.402 12.095 -2.990 140 HE ARG 22 HE ARG 22 -0.107 10.360 -5.232 141 HH11 ARG 22 1HH1 ARG 22 1.393 12.987 -3.509 142 HH12 ARG 22 2HH1 ARG 22 2.998 12.576 -4.016 143 HH21 ARG 22 1HH2 ARG 22 2.001 9.809 -5.907 144 HH22 ARG 22 2HH2 ARG 22 3.343 10.768 -5.381 145 H HIS 23 H HIS 23 -3.672 9.539 -4.325 146 HA HIS 23 HA HIS 23 -6.333 9.800 -5.560 147 HB2 HIS 23 1HB HIS 23 -3.598 9.495 -6.699 148 HB3 HIS 23 2HB HIS 23 -4.931 8.733 -7.560 149 HD2 HIS 23 HD2 HIS 23 -5.366 12.257 -5.904 150 HE1 HIS 23 HE1 HIS 23 -5.477 12.695 -10.123 151 HE2 HIS 23 HE2 HIS 23 -5.689 13.866 -7.903 152 H LEU 24 H LEU 24 -7.085 7.828 -6.731 153 HA LEU 24 HA LEU 24 -6.939 5.567 -4.966 154 HB2 LEU 24 1HB LEU 24 -9.024 6.281 -6.088 155 HB3 LEU 24 2HB LEU 24 -8.312 5.831 -7.637 156 HG LEU 24 HG LEU 24 -9.939 4.180 -6.716 157 HD11 LEU 24 1HD1 LEU 24 -7.784 3.742 -8.192 158 HD12 LEU 24 2HD1 LEU 24 -8.819 2.428 -7.637 159 HD13 LEU 24 3HD1 LEU 24 -7.319 2.790 -6.782 160 HD21 LEU 24 3HD2 LEU 24 -8.567 4.587 -4.347 161 HD22 LEU 24 1HD2 LEU 24 -8.051 2.983 -4.870 162 HD23 LEU 24 2HD2 LEU 24 -9.768 3.333 -4.663 163 H GLN 25 H GLN 25 -6.389 5.876 -8.480 164 HA GLN 25 HA GLN 25 -5.360 3.519 -9.166 165 HB2 GLN 25 1HB GLN 25 -3.817 4.668 -10.723 166 HB3 GLN 25 2HB GLN 25 -5.433 5.361 -10.734 167 HG2 GLN 25 1HG GLN 25 -4.698 7.212 -9.380 168 HG3 GLN 25 2HG GLN 25 -3.098 6.492 -9.211 169 HE21 GLN 25 1HE2 GLN 25 -2.128 8.326 -10.099 170 HE22 GLN 25 2HE2 GLN 25 -2.195 8.664 -11.791 171 H THR 26 H THR 26 -3.675 5.910 -7.208 172 HA THR 26 HA THR 26 -1.192 4.515 -7.126 173 HB THR 26 HB THR 26 -2.265 6.596 -5.211 174 HG1 THR 26 HG1 THR 26 -1.993 7.155 -7.535 175 HG21 THR 26 3HG2 THR 26 0.582 6.593 -5.515 176 HG22 THR 26 1HG2 THR 26 0.044 4.978 -5.057 177 HG23 THR 26 2HG2 THR 26 -0.377 6.366 -4.052 178 H LEU 27 H LEU 27 -3.879 4.832 -4.814 179 HA LEU 27 HA LEU 27 -2.908 3.353 -2.718 180 HB2 LEU 27 1HB LEU 27 -4.983 4.454 -2.475 181 HB3 LEU 27 2HB LEU 27 -5.689 3.580 -3.832 182 HG LEU 27 HG LEU 27 -5.801 1.555 -2.539 183 HD11 LEU 27 1HD1 LEU 27 -4.456 3.114 -0.337 184 HD12 LEU 27 2HD1 LEU 27 -3.738 1.802 -1.271 185 HD13 LEU 27 3HD1 LEU 27 -5.100 1.478 -0.199 186 HD21 LEU 27 3HD2 LEU 27 -7.763 2.419 -1.928 187 HD22 LEU 27 1HD2 LEU 27 -7.074 4.027 -1.705 188 HD23 LEU 27 2HD2 LEU 27 -6.987 2.843 -0.401 189 H LYS 28 H LYS 28 -4.567 2.139 -5.612 190 HA LYS 28 HA LYS 28 -4.673 -0.556 -4.944 191 HB2 LYS 28 1HB LYS 28 -4.497 0.895 -7.567 192 HB3 LYS 28 2HB LYS 28 -4.498 -0.863 -7.518 193 HG2 LYS 28 1HG LYS 28 -6.664 -0.957 -6.654 194 HG3 LYS 28 2HG LYS 28 -6.636 0.737 -6.158 195 HD2 LYS 28 1HD LYS 28 -6.851 1.498 -8.375 196 HD3 LYS 28 2HD LYS 28 -6.438 -0.083 -9.044 197 HE2 LYS 28 1HE LYS 28 -8.885 0.344 -7.354 198 HE3 LYS 28 2HE LYS 28 -8.895 0.621 -9.095 199 HZ1 LYS 28 3HZ LYS 28 -8.971 -1.553 -9.492 200 HZ2 LYS 28 1HZ LYS 28 -9.342 -1.758 -7.854 201 HZ3 LYS 28 2HZ LYS 28 -7.742 -1.902 -8.384 202 H SER 29 H SER 29 -1.997 1.386 -6.035 203 HA SER 29 HA SER 29 -0.310 -0.901 -6.588 204 HB2 SER 29 1HB SER 29 0.358 2.051 -6.473 205 HB3 SER 29 2HB SER 29 1.432 0.779 -7.056 206 HG SER 29 HG SER 29 0.225 1.925 -8.713 207 H HIS 30 H HIS 30 -1.188 0.946 -3.879 208 HA HIS 30 HA HIS 30 1.253 0.647 -2.401 209 HB2 HIS 30 1HB HIS 30 0.061 2.459 -1.614 210 HB3 HIS 30 2HB HIS 30 -1.495 1.658 -1.814 211 HD1 HIS 30 HD1 HIS 30 1.572 1.220 0.408 212 HD2 HIS 30 HD2 HIS 30 -2.572 0.947 0.552 213 HE1 HIS 30 HE1 HIS 30 1.018 0.652 2.794 214 H LEU 31 H LEU 31 -1.554 -1.276 -2.969 215 HA LEU 31 HA LEU 31 -1.348 -2.925 -0.651 216 HB2 LEU 31 1HB LEU 31 -2.574 -3.920 -3.173 217 HB3 LEU 31 2HB LEU 31 -3.110 -4.121 -1.506 218 HG LEU 31 HG LEU 31 -3.496 -1.755 -3.319 219 HD11 LEU 31 1HD1 LEU 31 -5.867 -2.113 -2.558 220 HD12 LEU 31 2HD1 LEU 31 -5.323 -3.623 -1.828 221 HD13 LEU 31 3HD1 LEU 31 -5.192 -3.389 -3.571 222 HD21 LEU 31 3HD2 LEU 31 -2.874 -0.685 -1.340 223 HD22 LEU 31 1HD2 LEU 31 -3.645 -1.905 -0.327 224 HD23 LEU 31 2HD2 LEU 31 -4.634 -0.767 -1.242 225 H ARG 32 H ARG 32 0.702 -2.573 -3.183 226 HA ARG 32 HA ARG 32 1.331 -5.289 -3.786 227 HB2 ARG 32 1HB ARG 32 2.561 -2.632 -4.354 228 HB3 ARG 32 2HB ARG 32 3.560 -4.066 -4.543 229 HG2 ARG 32 1HG ARG 32 2.551 -3.428 -6.652 230 HG3 ARG 32 2HG ARG 32 1.938 -4.993 -6.115 231 HD2 ARG 32 1HD ARG 32 -0.127 -4.060 -5.442 232 HD3 ARG 32 2HD ARG 32 0.495 -2.415 -5.563 233 HE ARG 32 HE ARG 32 -0.642 -3.962 -7.657 234 HH11 ARG 32 1HH1 ARG 32 1.804 -1.577 -6.986 235 HH12 ARG 32 2HH1 ARG 32 1.781 -0.913 -8.586 236 HH21 ARG 32 1HH2 ARG 32 -0.682 -3.096 -9.767 237 HH22 ARG 32 2HH2 ARG 32 0.366 -1.777 -10.167 238 H ILE 33 H ILE 33 2.590 -2.891 -1.528 239 HA ILE 33 HA ILE 33 4.779 -4.497 -0.642 240 HB ILE 33 HB ILE 33 5.129 -2.855 1.062 241 HG12 ILE 33 1HG1 ILE 33 2.543 -1.489 0.360 242 HG13 ILE 33 2HG1 ILE 33 2.594 -2.754 1.583 243 HG21 ILE 33 1HG2 ILE 33 4.497 -1.997 -1.680 244 HG22 ILE 33 2HG2 ILE 33 4.621 -0.703 -0.489 245 HG23 ILE 33 3HG2 ILE 33 5.976 -1.803 -0.740 246 HD11 ILE 33 3HD1 ILE 33 4.674 -0.976 2.200 247 HD12 ILE 33 1HD1 ILE 33 3.265 0.010 1.809 248 HD13 ILE 33 2HD1 ILE 33 3.158 -1.221 3.068 249 H HIS 34 H HIS 34 1.440 -4.525 -0.016 250 HA HIS 34 HA HIS 34 1.607 -5.620 2.646 251 HB2 HIS 34 1HB HIS 34 -0.642 -5.165 0.701 252 HB3 HIS 34 2HB HIS 34 -0.890 -6.088 2.180 253 HD1 HIS 34 HD1 HIS 34 0.667 -4.401 4.183 254 HD2 HIS 34 HD2 HIS 34 -1.831 -2.795 1.278 255 HE1 HIS 34 HE1 HIS 34 0.007 -2.133 5.044 256 H THR 35 H THR 35 0.942 -6.850 -0.608 257 HA THR 35 HA THR 35 1.234 -9.587 0.447 258 HB THR 35 HB THR 35 -0.982 -9.261 -0.484 259 HG1 THR 35 HG1 THR 35 0.743 -10.784 -2.168 260 HG21 THR 35 3HG2 THR 35 -1.398 -8.547 -2.715 261 HG22 THR 35 1HG2 THR 35 0.315 -8.608 -3.126 262 HG23 THR 35 2HG2 THR 35 -0.282 -7.376 -2.014 263 H GLY 36 H GLY 36 2.866 -10.803 -0.291 264 HA2 GLY 36 1HA GLY 36 4.020 -10.371 -2.902 265 HA3 GLY 36 2HA GLY 36 5.070 -9.890 -1.577 266 H SER 37 H SER 37 5.646 -11.928 -3.466 267 HA SER 37 HA SER 37 5.200 -14.461 -2.125 268 HB2 SER 37 1HB SER 37 6.258 -15.474 -4.030 269 HB3 SER 37 2HB SER 37 5.182 -14.214 -4.633 270 HG SER 37 HG SER 37 7.217 -14.111 -5.644 271 H GLY 38 H GLY 38 6.373 -14.812 -0.344 272 HA2 GLY 38 1HA GLY 38 8.536 -15.645 0.411 273 HA3 GLY 38 2HA GLY 38 9.286 -14.364 -0.530 274 HA PRO 39 HA PRO 39 9.537 -12.011 3.174 275 HB2 PRO 39 1HB PRO 39 9.841 -9.541 2.090 276 HB3 PRO 39 2HB PRO 39 11.126 -10.755 2.090 277 HG2 PRO 39 1HG PRO 39 9.228 -10.006 -0.101 278 HG3 PRO 39 2HG PRO 39 10.969 -10.331 -0.191 279 HD2 PRO 39 1HD PRO 39 9.106 -12.164 -0.899 280 HD3 PRO 39 2HD PRO 39 10.670 -12.616 -0.191 281 H SER 40 H SER 40 8.100 -11.125 4.537 282 HA SER 40 HA SER 40 5.659 -9.939 3.388 283 HB2 SER 40 1HB SER 40 5.061 -12.007 4.443 284 HB3 SER 40 2HB SER 40 6.011 -11.617 5.877 285 HG SER 40 HG SER 40 4.540 -10.017 6.389 286 H SER 41 H SER 41 7.454 -9.999 6.472 287 HA SER 41 HA SER 41 6.543 -7.384 7.198 288 HB2 SER 41 1HB SER 41 7.997 -7.640 9.150 289 HB3 SER 41 2HB SER 41 7.060 -9.112 8.889 290 HG SER 41 HG SER 41 9.348 -9.429 9.321 291 H GLY 42 H GLY 42 7.317 -5.535 6.443 292 HA2 GLY 42 1HA GLY 42 10.196 -5.282 5.961 293 HA3 GLY 42 2HA GLY 42 9.109 -4.932 4.625 Start of MODEL 5 1 H1 GLY 1 H GLY 1 12.855 17.826 5.148 2 HA2 GLY 1 1HA GLY 1 13.210 15.546 4.243 3 HA3 GLY 1 2HA GLY 1 12.562 14.949 5.763 4 H SER 2 H SER 2 10.992 13.764 4.570 5 HA SER 2 HA SER 2 8.909 15.404 3.297 6 HB2 SER 2 1HB SER 2 9.839 13.642 1.867 7 HB3 SER 2 2HB SER 2 9.432 12.428 3.080 8 HG SER 2 HG SER 2 7.373 14.078 2.194 9 H SER 3 H SER 3 7.741 16.059 5.074 10 HA SER 3 HA SER 3 5.926 14.121 6.169 11 HB2 SER 3 1HB SER 3 8.077 15.346 7.881 12 HB3 SER 3 2HB SER 3 6.532 14.856 8.576 13 HG SER 3 HG SER 3 7.175 12.865 8.489 14 H GLY 4 H GLY 4 4.122 15.069 7.195 15 HA2 GLY 4 1HA GLY 4 3.409 17.340 8.190 16 HA3 GLY 4 2HA GLY 4 3.846 17.937 6.596 17 H SER 5 H SER 5 1.268 17.356 8.353 18 HA SER 5 HA SER 5 -0.286 16.026 6.248 19 HB2 SER 5 1HB SER 5 -0.337 15.368 8.785 20 HB3 SER 5 2HB SER 5 -1.418 16.754 8.930 21 HG SER 5 HG SER 5 -1.763 14.416 7.374 22 H SER 6 H SER 6 0.547 18.599 5.666 23 HA SER 6 HA SER 6 -1.963 20.129 5.884 24 HB2 SER 6 1HB SER 6 -0.600 22.186 5.715 25 HB3 SER 6 2HB SER 6 -0.172 21.231 7.134 26 HG SER 6 HG SER 6 1.337 21.900 4.957 27 H GLY 7 H GLY 7 -2.981 19.840 3.995 28 HA2 GLY 7 1HA GLY 7 -3.113 20.784 1.739 29 HA3 GLY 7 2HA GLY 7 -1.424 20.342 1.534 30 H GLY 8 H GLY 8 -3.791 19.626 -0.071 31 HA2 GLY 8 1HA GLY 8 -4.424 17.781 -1.293 32 HA3 GLY 8 2HA GLY 8 -3.148 16.883 -0.484 33 H GLU 9 H GLU 9 -5.083 15.303 -0.827 34 HA GLU 9 HA GLU 9 -6.201 14.842 1.769 35 HB2 GLU 9 1HB GLU 9 -8.584 14.679 0.712 36 HB3 GLU 9 2HB GLU 9 -7.976 16.234 1.263 37 HG2 GLU 9 1HG GLU 9 -7.283 16.726 -1.068 38 HG3 GLU 9 2HG GLU 9 -8.061 15.225 -1.569 39 H LYS 10 H LYS 10 -6.501 12.715 2.099 40 HA LYS 10 HA LYS 10 -6.229 10.946 -0.236 41 HB2 LYS 10 1HB LYS 10 -5.704 10.327 2.677 42 HB3 LYS 10 2HB LYS 10 -5.394 9.259 1.315 43 HG2 LYS 10 1HG LYS 10 -3.557 10.456 0.617 44 HG3 LYS 10 2HG LYS 10 -4.096 11.943 1.402 45 HD2 LYS 10 1HD LYS 10 -3.481 9.592 3.118 46 HD3 LYS 10 2HD LYS 10 -2.131 10.472 2.397 47 HE2 LYS 10 1HE LYS 10 -2.356 11.657 4.331 48 HE3 LYS 10 2HE LYS 10 -3.480 12.557 3.313 49 HZ1 LYS 10 3HZ LYS 10 -5.145 12.015 4.648 50 HZ2 LYS 10 1HZ LYS 10 -4.033 11.320 5.716 51 HZ3 LYS 10 2HZ LYS 10 -4.787 10.365 4.542 52 HA PRO 11 HA PRO 11 -10.604 10.418 1.246 53 HB2 PRO 11 1HB PRO 11 -11.700 10.460 -1.237 54 HB3 PRO 11 2HB PRO 11 -11.396 11.925 -0.296 55 HG2 PRO 11 1HG PRO 11 -9.771 10.720 -2.503 56 HG3 PRO 11 2HG PRO 11 -10.187 12.420 -2.220 57 HD2 PRO 11 1HD PRO 11 -7.776 11.380 -1.560 58 HD3 PRO 11 2HD PRO 11 -8.536 12.690 -0.634 59 H TYR 12 H TYR 12 -8.281 8.656 -0.267 60 HA TYR 12 HA TYR 12 -10.075 6.348 -0.650 61 HB2 TYR 12 1HB TYR 12 -7.475 6.989 -2.055 62 HB3 TYR 12 2HB TYR 12 -8.347 5.470 -2.224 63 HD1 TYR 12 HD1 TYR 12 -8.517 9.104 -2.881 64 HD2 TYR 12 HD2 TYR 12 -10.223 5.287 -3.669 65 HE1 TYR 12 HE1 TYR 12 -9.856 10.084 -4.696 66 HE2 TYR 12 HE2 TYR 12 -11.565 6.256 -5.488 67 HH TYR 12 HH TYR 12 -11.175 9.626 -6.466 68 HA PRO 13 HA PRO 13 -7.404 5.311 2.944 69 HB2 PRO 13 1HB PRO 13 -9.321 3.871 4.215 70 HB3 PRO 13 2HB PRO 13 -9.187 5.627 4.357 71 HG2 PRO 13 1HG PRO 13 -11.013 4.000 2.630 72 HG3 PRO 13 2HG PRO 13 -11.374 5.449 3.588 73 HD2 PRO 13 1HD PRO 13 -10.957 5.536 0.914 74 HD3 PRO 13 2HD PRO 13 -10.508 6.871 1.994 75 H CYS 14 H CYS 14 -6.237 3.474 3.219 76 HA CYS 14 HA CYS 14 -6.374 1.438 1.255 77 HB2 CYS 14 1HB CYS 14 -4.240 1.944 2.195 78 HB3 CYS 14 2HB CYS 14 -4.825 1.679 3.835 79 H GLU 15 H GLU 15 -6.560 -0.895 1.728 80 HA GLU 15 HA GLU 15 -8.815 -1.366 3.545 81 HB2 GLU 15 1HB GLU 15 -9.451 -2.122 1.444 82 HB3 GLU 15 2HB GLU 15 -7.839 -2.705 1.053 83 HG2 GLU 15 1HG GLU 15 -8.125 -4.679 2.185 84 HG3 GLU 15 2HG GLU 15 -9.353 -4.011 3.258 85 H ILE 16 H ILE 16 -5.591 -2.533 2.726 86 HA ILE 16 HA ILE 16 -5.553 -4.720 4.517 87 HB ILE 16 HB ILE 16 -3.212 -3.114 3.487 88 HG12 ILE 16 1HG1 ILE 16 -3.172 -5.338 2.001 89 HG13 ILE 16 2HG1 ILE 16 -4.904 -5.256 2.301 90 HG21 ILE 16 1HG2 ILE 16 -2.066 -5.387 3.842 91 HG22 ILE 16 2HG2 ILE 16 -2.382 -4.381 5.255 92 HG23 ILE 16 3HG2 ILE 16 -3.434 -5.749 4.895 93 HD11 ILE 16 3HD1 ILE 16 -5.095 -3.790 0.665 94 HD12 ILE 16 1HD1 ILE 16 -4.058 -2.671 1.549 95 HD13 ILE 16 2HD1 ILE 16 -3.350 -3.820 0.412 96 H CYS 17 H CYS 17 -3.577 -1.774 4.826 97 HA CYS 17 HA CYS 17 -3.616 -2.080 7.720 98 HB2 CYS 17 1HB CYS 17 -1.928 -0.256 7.687 99 HB3 CYS 17 2HB CYS 17 -1.463 -1.639 6.701 100 H GLY 18 H GLY 18 -4.399 0.416 5.306 101 HA2 GLY 18 1HA GLY 18 -6.680 1.438 5.844 102 HA3 GLY 18 2HA GLY 18 -5.937 1.829 7.388 103 H THR 19 H THR 19 -3.339 2.275 5.848 104 HA THR 19 HA THR 19 -3.235 4.987 5.810 105 HB THR 19 HB THR 19 -1.789 3.052 4.000 106 HG1 THR 19 HG1 THR 19 -0.487 2.898 5.661 107 HG21 THR 19 3HG2 THR 19 -0.148 5.062 3.851 108 HG22 THR 19 1HG2 THR 19 -1.570 6.031 4.234 109 HG23 THR 19 2HG2 THR 19 -1.554 5.020 2.789 110 H ARG 20 H ARG 20 -3.990 6.611 4.598 111 HA ARG 20 HA ARG 20 -5.625 5.942 2.274 112 HB2 ARG 20 1HB ARG 20 -5.320 8.621 3.637 113 HB3 ARG 20 2HB ARG 20 -6.568 8.148 2.491 114 HG2 ARG 20 1HG ARG 20 -7.746 6.970 4.042 115 HG3 ARG 20 2HG ARG 20 -6.311 6.564 4.985 116 HD2 ARG 20 1HD ARG 20 -6.311 8.580 6.103 117 HD3 ARG 20 2HD ARG 20 -7.197 9.408 4.822 118 HE ARG 20 HE ARG 20 -9.036 7.692 5.717 119 HH11 ARG 20 1HH1 ARG 20 -6.884 9.839 7.413 120 HH12 ARG 20 2HH1 ARG 20 -7.965 10.081 8.746 121 HH21 ARG 20 1HH2 ARG 20 -10.468 8.002 7.466 122 HH22 ARG 20 2HH2 ARG 20 -10.003 9.035 8.775 123 H PHE 21 H PHE 21 -5.408 7.021 0.269 124 HA PHE 21 HA PHE 21 -2.799 8.310 -0.171 125 HB2 PHE 21 1HB PHE 21 -4.137 6.175 -1.832 126 HB3 PHE 21 2HB PHE 21 -2.840 7.189 -2.457 127 HD1 PHE 21 HD2 PHE 21 -3.654 4.823 0.288 128 HD2 PHE 21 HD1 PHE 21 -0.623 6.600 -2.115 129 HE1 PHE 21 HE2 PHE 21 -1.994 3.284 1.251 130 HE2 PHE 21 HE1 PHE 21 1.043 5.063 -1.156 131 HZ PHE 21 HZ PHE 21 0.358 3.403 0.530 132 H ARG 22 H ARG 22 -2.786 10.091 -1.450 133 HA ARG 22 HA ARG 22 -4.897 11.739 -1.741 134 HB2 ARG 22 1HB ARG 22 -2.411 12.091 -2.374 135 HB3 ARG 22 2HB ARG 22 -2.898 11.557 -3.977 136 HG2 ARG 22 1HG ARG 22 -4.571 13.375 -4.033 137 HG3 ARG 22 2HG ARG 22 -3.964 13.937 -2.474 138 HD2 ARG 22 1HD ARG 22 -2.977 15.229 -4.272 139 HD3 ARG 22 2HD ARG 22 -1.742 14.255 -3.474 140 HE ARG 22 HE ARG 22 -2.539 12.705 -5.554 141 HH11 ARG 22 1HH1 ARG 22 -1.402 15.984 -5.274 142 HH12 ARG 22 2HH1 ARG 22 -0.674 16.003 -6.846 143 HH21 ARG 22 1HH2 ARG 22 -1.584 12.719 -7.626 144 HH22 ARG 22 2HH2 ARG 22 -0.779 14.146 -8.183 145 H HIS 23 H HIS 23 -3.836 9.435 -4.242 146 HA HIS 23 HA HIS 23 -6.548 9.582 -5.387 147 HB2 HIS 23 1HB HIS 23 -3.864 9.509 -6.708 148 HB3 HIS 23 2HB HIS 23 -5.240 8.775 -7.527 149 HD2 HIS 23 HD2 HIS 23 -4.972 12.299 -5.721 150 HE1 HIS 23 HE1 HIS 23 -6.559 12.791 -9.625 151 HE2 HIS 23 HE2 HIS 23 -5.835 13.954 -7.512 152 H LEU 24 H LEU 24 -7.297 7.617 -6.451 153 HA LEU 24 HA LEU 24 -6.803 5.313 -4.846 154 HB2 LEU 24 1HB LEU 24 -8.992 5.927 -5.896 155 HB3 LEU 24 2HB LEU 24 -8.309 5.458 -7.451 156 HG LEU 24 HG LEU 24 -8.272 3.187 -6.879 157 HD11 LEU 24 1HD1 LEU 24 -9.072 2.658 -4.396 158 HD12 LEU 24 2HD1 LEU 24 -8.285 4.208 -4.100 159 HD13 LEU 24 3HD1 LEU 24 -7.374 2.880 -4.819 160 HD21 LEU 24 3HD2 LEU 24 -10.749 4.456 -5.724 161 HD22 LEU 24 1HD2 LEU 24 -10.578 2.729 -6.042 162 HD23 LEU 24 2HD2 LEU 24 -10.505 3.883 -7.374 163 H GLN 25 H GLN 25 -6.334 5.929 -8.330 164 HA GLN 25 HA GLN 25 -5.193 3.665 -9.204 165 HB2 GLN 25 1HB GLN 25 -3.740 5.048 -10.689 166 HB3 GLN 25 2HB GLN 25 -5.426 5.548 -10.676 167 HG2 GLN 25 1HG GLN 25 -4.983 7.499 -9.547 168 HG3 GLN 25 2HG GLN 25 -3.496 6.875 -8.835 169 HE21 GLN 25 1HE2 GLN 25 -1.928 8.161 -9.511 170 HE22 GLN 25 2HE2 GLN 25 -1.631 8.616 -11.151 171 H THR 26 H THR 26 -3.772 5.885 -6.932 172 HA THR 26 HA THR 26 -1.156 4.656 -7.047 173 HB THR 26 HB THR 26 -2.221 6.654 -5.042 174 HG1 THR 26 HG1 THR 26 -0.607 7.151 -7.335 175 HG21 THR 26 3HG2 THR 26 -0.209 6.622 -4.069 176 HG22 THR 26 1HG2 THR 26 0.623 6.695 -5.622 177 HG23 THR 26 2HG2 THR 26 0.103 5.140 -4.973 178 H LEU 27 H LEU 27 -3.882 4.765 -4.780 179 HA LEU 27 HA LEU 27 -2.789 3.307 -2.691 180 HB2 LEU 27 1HB LEU 27 -4.888 4.393 -2.412 181 HB3 LEU 27 2HB LEU 27 -5.612 3.460 -3.720 182 HG LEU 27 HG LEU 27 -5.616 1.470 -2.376 183 HD11 LEU 27 1HD1 LEU 27 -3.438 2.078 -1.214 184 HD12 LEU 27 2HD1 LEU 27 -4.669 1.279 -0.237 185 HD13 LEU 27 3HD1 LEU 27 -4.425 3.020 -0.096 186 HD21 LEU 27 3HD2 LEU 27 -7.505 2.109 -1.398 187 HD22 LEU 27 1HD2 LEU 27 -7.092 3.774 -1.807 188 HD23 LEU 27 2HD2 LEU 27 -6.630 3.111 -0.239 189 H LYS 28 H LYS 28 -4.561 2.116 -5.532 190 HA LYS 28 HA LYS 28 -4.603 -0.585 -4.938 191 HB2 LYS 28 1HB LYS 28 -4.341 0.813 -7.602 192 HB3 LYS 28 2HB LYS 28 -4.610 -0.918 -7.443 193 HG2 LYS 28 1HG LYS 28 -6.753 -0.626 -6.570 194 HG3 LYS 28 2HG LYS 28 -6.457 1.067 -6.168 195 HD2 LYS 28 1HD LYS 28 -6.672 1.758 -8.376 196 HD3 LYS 28 2HD LYS 28 -6.354 0.144 -9.015 197 HE2 LYS 28 1HE LYS 28 -8.780 0.665 -7.341 198 HE3 LYS 28 2HE LYS 28 -8.774 1.080 -9.055 199 HZ1 LYS 28 3HZ LYS 28 -7.754 -1.507 -8.787 200 HZ2 LYS 28 1HZ LYS 28 -9.202 -1.026 -9.519 201 HZ3 LYS 28 2HZ LYS 28 -9.178 -1.429 -7.877 202 H SER 29 H SER 29 -1.959 1.401 -6.031 203 HA SER 29 HA SER 29 -0.262 -0.865 -6.646 204 HB2 SER 29 1HB SER 29 0.454 2.072 -6.464 205 HB3 SER 29 2HB SER 29 1.436 0.797 -7.186 206 HG SER 29 HG SER 29 0.373 1.133 -8.953 207 H HIS 30 H HIS 30 -1.092 0.974 -3.906 208 HA HIS 30 HA HIS 30 1.373 0.632 -2.473 209 HB2 HIS 30 1HB HIS 30 0.260 2.456 -1.632 210 HB3 HIS 30 2HB HIS 30 -1.328 1.730 -1.865 211 HD1 HIS 30 HD1 HIS 30 1.680 1.260 0.420 212 HD2 HIS 30 HD2 HIS 30 -2.457 0.880 0.441 213 HE1 HIS 30 HE1 HIS 30 1.074 0.638 2.780 214 H LEU 31 H LEU 31 -1.485 -1.230 -2.988 215 HA LEU 31 HA LEU 31 -1.297 -2.878 -0.675 216 HB2 LEU 31 1HB LEU 31 -2.524 -3.845 -3.214 217 HB3 LEU 31 2HB LEU 31 -3.055 -4.083 -1.550 218 HG LEU 31 HG LEU 31 -3.455 -1.690 -3.321 219 HD11 LEU 31 1HD1 LEU 31 -5.102 -3.490 -3.444 220 HD12 LEU 31 2HD1 LEU 31 -5.793 -2.034 -2.730 221 HD13 LEU 31 3HD1 LEU 31 -5.344 -3.393 -1.700 222 HD21 LEU 31 3HD2 LEU 31 -4.545 -0.708 -1.219 223 HD22 LEU 31 1HD2 LEU 31 -2.787 -0.640 -1.345 224 HD23 LEU 31 2HD2 LEU 31 -3.551 -1.861 -0.327 225 H ARG 32 H ARG 32 0.741 -2.578 -3.243 226 HA ARG 32 HA ARG 32 1.349 -5.295 -3.822 227 HB2 ARG 32 1HB ARG 32 2.597 -2.653 -4.386 228 HB3 ARG 32 2HB ARG 32 3.616 -4.079 -4.527 229 HG2 ARG 32 1HG ARG 32 2.624 -3.437 -6.667 230 HG3 ARG 32 2HG ARG 32 2.100 -5.041 -6.151 231 HD2 ARG 32 1HD ARG 32 -0.011 -4.152 -5.392 232 HD3 ARG 32 2HD ARG 32 0.516 -2.507 -5.746 233 HE ARG 32 HE ARG 32 -0.556 -4.398 -7.592 234 HH11 ARG 32 1HH1 ARG 32 1.657 -1.728 -7.281 235 HH12 ARG 32 2HH1 ARG 32 1.529 -1.259 -8.944 236 HH21 ARG 32 1HH2 ARG 32 -0.732 -3.791 -9.784 237 HH22 ARG 32 2HH2 ARG 32 0.170 -2.433 -10.367 238 H ILE 33 H ILE 33 2.458 -2.995 -1.428 239 HA ILE 33 HA ILE 33 4.660 -4.634 -0.553 240 HB ILE 33 HB ILE 33 5.107 -2.984 1.067 241 HG12 ILE 33 1HG1 ILE 33 2.336 -1.859 0.611 242 HG13 ILE 33 2HG1 ILE 33 2.786 -2.881 1.971 243 HG21 ILE 33 1HG2 ILE 33 5.800 -1.692 -0.604 244 HG22 ILE 33 2HG2 ILE 33 4.450 -2.188 -1.624 245 HG23 ILE 33 3HG2 ILE 33 4.258 -0.842 -0.501 246 HD11 ILE 33 3HD1 ILE 33 2.866 -0.728 2.827 247 HD12 ILE 33 1HD1 ILE 33 4.553 -1.097 2.470 248 HD13 ILE 33 2HD1 ILE 33 3.623 -0.074 1.374 249 H HIS 34 H HIS 34 1.335 -4.696 -0.082 250 HA HIS 34 HA HIS 34 1.423 -5.758 2.617 251 HB2 HIS 34 1HB HIS 34 -0.792 -5.191 0.660 252 HB3 HIS 34 2HB HIS 34 -1.087 -6.114 2.130 253 HD1 HIS 34 HD1 HIS 34 0.502 -4.518 4.169 254 HD2 HIS 34 HD2 HIS 34 -1.862 -2.768 1.235 255 HE1 HIS 34 HE1 HIS 34 -0.065 -2.228 5.040 256 H THR 35 H THR 35 0.908 -6.909 -0.674 257 HA THR 35 HA THR 35 0.938 -9.674 0.350 258 HB THR 35 HB THR 35 -1.140 -9.397 -0.732 259 HG1 THR 35 HG1 THR 35 -0.893 -10.757 -2.575 260 HG21 THR 35 3HG2 THR 35 -1.358 -8.451 -3.006 261 HG22 THR 35 1HG2 THR 35 0.361 -8.063 -2.988 262 HG23 THR 35 2HG2 THR 35 -0.731 -7.280 -1.846 263 H GLY 36 H GLY 36 2.762 -10.738 -0.026 264 HA2 GLY 36 1HA GLY 36 4.044 -10.627 -2.608 265 HA3 GLY 36 2HA GLY 36 4.989 -9.887 -1.324 266 H SER 37 H SER 37 4.835 -11.429 0.778 267 HA SER 37 HA SER 37 6.506 -13.571 0.289 268 HB2 SER 37 1HB SER 37 4.581 -13.153 2.586 269 HB3 SER 37 2HB SER 37 5.853 -14.374 2.568 270 HG SER 37 HG SER 37 6.028 -11.625 2.875 271 H GLY 38 H GLY 38 2.987 -13.668 0.856 272 HA2 GLY 38 1HA GLY 38 2.850 -16.080 -0.799 273 HA3 GLY 38 2HA GLY 38 2.257 -16.194 0.852 274 HA PRO 39 HA PRO 39 -0.878 -14.278 -2.256 275 HB2 PRO 39 1HB PRO 39 -2.169 -16.505 -3.118 276 HB3 PRO 39 2HB PRO 39 -0.785 -15.808 -3.968 277 HG2 PRO 39 1HG PRO 39 -0.875 -18.126 -2.077 278 HG3 PRO 39 2HG PRO 39 0.005 -17.965 -3.608 279 HD2 PRO 39 1HD PRO 39 1.202 -17.648 -1.200 280 HD3 PRO 39 2HD PRO 39 1.711 -16.751 -2.644 281 H SER 40 H SER 40 -0.889 -16.701 0.221 282 HA SER 40 HA SER 40 -3.717 -16.303 0.810 283 HB2 SER 40 1HB SER 40 -2.595 -18.582 0.898 284 HB3 SER 40 2HB SER 40 -1.761 -18.018 2.346 285 HG SER 40 HG SER 40 -4.062 -19.136 2.314 286 H SER 41 H SER 41 -4.501 -15.322 2.638 287 HA SER 41 HA SER 41 -2.618 -13.568 4.021 288 HB2 SER 41 1HB SER 41 -4.484 -12.228 4.622 289 HB3 SER 41 2HB SER 41 -4.783 -12.727 2.957 290 HG SER 41 HG SER 41 -6.225 -13.240 5.194 291 H GLY 42 H GLY 42 -2.400 -16.241 4.742 292 HA2 GLY 42 1HA GLY 42 -2.779 -16.051 7.572 293 HA3 GLY 42 2HA GLY 42 -3.889 -17.200 6.842 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.054 27.887 8.452 2 HA2 GLY 1 1HA GLY 1 -8.023 27.502 9.610 3 HA3 GLY 1 2HA GLY 1 -8.127 29.254 9.509 4 H SER 2 H SER 2 -9.143 26.228 8.054 5 HA SER 2 HA SER 2 -11.212 27.690 6.553 6 HB2 SER 2 1HB SER 2 -9.811 25.080 6.047 7 HB3 SER 2 2HB SER 2 -11.387 25.403 5.325 8 HG SER 2 HG SER 2 -10.139 27.528 4.768 9 H SER 3 H SER 3 -13.260 26.335 6.237 10 HA SER 3 HA SER 3 -14.502 25.961 8.703 11 HB2 SER 3 1HB SER 3 -15.200 25.297 5.879 12 HB3 SER 3 2HB SER 3 -16.167 24.572 7.163 13 HG SER 3 HG SER 3 -16.070 26.983 7.913 14 H GLY 4 H GLY 4 -13.113 23.584 6.468 15 HA2 GLY 4 1HA GLY 4 -13.811 21.360 8.171 16 HA3 GLY 4 2HA GLY 4 -12.852 21.290 6.700 17 H SER 5 H SER 5 -12.702 20.657 9.860 18 HA SER 5 HA SER 5 -10.217 21.825 10.615 19 HB2 SER 5 1HB SER 5 -11.559 19.362 11.757 20 HB3 SER 5 2HB SER 5 -10.312 20.335 12.537 21 HG SER 5 HG SER 5 -12.868 20.667 12.759 22 H SER 6 H SER 6 -11.070 18.450 9.824 23 HA SER 6 HA SER 6 -8.485 18.135 8.508 24 HB2 SER 6 1HB SER 6 -8.044 17.427 10.804 25 HB3 SER 6 2HB SER 6 -9.429 16.337 10.755 26 HG SER 6 HG SER 6 -6.913 15.917 9.904 27 H GLY 7 H GLY 7 -8.384 16.344 7.066 28 HA2 GLY 7 1HA GLY 7 -9.545 14.319 6.227 29 HA3 GLY 7 2HA GLY 7 -11.040 15.227 6.402 30 H GLY 8 H GLY 8 -11.165 14.452 4.083 31 HA2 GLY 8 1HA GLY 8 -11.453 15.351 1.946 32 HA3 GLY 8 2HA GLY 8 -10.374 16.669 2.382 33 H GLU 9 H GLU 9 -8.027 15.941 2.731 34 HA GLU 9 HA GLU 9 -7.057 14.905 0.313 35 HB2 GLU 9 1HB GLU 9 -5.851 16.410 1.979 36 HB3 GLU 9 2HB GLU 9 -5.509 14.951 2.898 37 HG2 GLU 9 1HG GLU 9 -4.221 14.038 1.115 38 HG3 GLU 9 2HG GLU 9 -4.721 15.328 0.022 39 H LYS 10 H LYS 10 -6.373 12.920 -0.323 40 HA LYS 10 HA LYS 10 -6.206 10.653 -0.392 41 HB2 LYS 10 1HB LYS 10 -5.704 10.987 2.571 42 HB3 LYS 10 2HB LYS 10 -5.422 9.507 1.663 43 HG2 LYS 10 1HG LYS 10 -3.577 10.352 0.589 44 HG3 LYS 10 2HG LYS 10 -4.102 12.027 0.778 45 HD2 LYS 10 1HD LYS 10 -3.275 12.190 2.903 46 HD3 LYS 10 2HD LYS 10 -3.501 10.471 3.239 47 HE2 LYS 10 1HE LYS 10 -1.224 10.541 3.071 48 HE3 LYS 10 2HE LYS 10 -1.639 10.220 1.388 49 HZ1 LYS 10 3HZ LYS 10 -1.172 12.940 2.477 50 HZ2 LYS 10 1HZ LYS 10 -1.351 12.505 0.852 51 HZ3 LYS 10 2HZ LYS 10 0.021 12.017 1.712 52 HA PRO 11 HA PRO 11 -10.568 10.418 1.406 53 HB2 PRO 11 1HB PRO 11 -11.891 10.448 -0.964 54 HB3 PRO 11 2HB PRO 11 -11.494 11.918 -0.067 55 HG2 PRO 11 1HG PRO 11 -10.088 10.689 -2.406 56 HG3 PRO 11 2HG PRO 11 -10.468 12.393 -2.099 57 HD2 PRO 11 1HD PRO 11 -8.010 11.346 -1.659 58 HD3 PRO 11 2HD PRO 11 -8.675 12.666 -0.675 59 H TYR 12 H TYR 12 -8.406 8.635 -0.311 60 HA TYR 12 HA TYR 12 -10.240 6.338 -0.529 61 HB2 TYR 12 1HB TYR 12 -7.731 6.929 -2.112 62 HB3 TYR 12 2HB TYR 12 -8.653 5.433 -2.220 63 HD1 TYR 12 HD1 TYR 12 -8.804 9.082 -2.833 64 HD2 TYR 12 HD2 TYR 12 -10.593 5.292 -3.568 65 HE1 TYR 12 HE1 TYR 12 -10.236 10.099 -4.555 66 HE2 TYR 12 HE2 TYR 12 -12.029 6.298 -5.293 67 HH TYR 12 HH TYR 12 -11.576 9.583 -6.375 68 HA PRO 13 HA PRO 13 -7.368 5.265 2.882 69 HB2 PRO 13 1HB PRO 13 -9.197 3.773 4.223 70 HB3 PRO 13 2HB PRO 13 -9.084 5.529 4.387 71 HG2 PRO 13 1HG PRO 13 -10.966 3.898 2.726 72 HG3 PRO 13 2HG PRO 13 -11.303 5.325 3.723 73 HD2 PRO 13 1HD PRO 13 -11.021 5.461 1.034 74 HD3 PRO 13 2HD PRO 13 -10.541 6.786 2.112 75 H CYS 14 H CYS 14 -6.294 3.342 3.285 76 HA CYS 14 HA CYS 14 -6.431 1.365 1.225 77 HB2 CYS 14 1HB CYS 14 -4.278 1.919 2.148 78 HB3 CYS 14 2HB CYS 14 -4.819 1.524 3.776 79 H GLU 15 H GLU 15 -6.610 -0.969 1.661 80 HA GLU 15 HA GLU 15 -8.821 -1.471 3.515 81 HB2 GLU 15 1HB GLU 15 -9.322 -2.171 1.294 82 HB3 GLU 15 2HB GLU 15 -7.771 -2.982 1.127 83 HG2 GLU 15 1HG GLU 15 -9.208 -4.744 1.452 84 HG3 GLU 15 2HG GLU 15 -8.606 -4.455 3.083 85 H ILE 16 H ILE 16 -5.576 -2.577 2.706 86 HA ILE 16 HA ILE 16 -5.488 -4.759 4.496 87 HB ILE 16 HB ILE 16 -3.219 -3.077 3.426 88 HG12 ILE 16 1HG1 ILE 16 -3.045 -5.390 2.084 89 HG13 ILE 16 2HG1 ILE 16 -4.781 -5.380 2.376 90 HG21 ILE 16 1HG2 ILE 16 -3.287 -5.272 5.325 91 HG22 ILE 16 2HG2 ILE 16 -2.261 -5.614 3.933 92 HG23 ILE 16 3HG2 ILE 16 -1.970 -4.176 4.910 93 HD11 ILE 16 3HD1 ILE 16 -4.152 -2.811 1.476 94 HD12 ILE 16 1HD1 ILE 16 -3.249 -3.922 0.446 95 HD13 ILE 16 2HD1 ILE 16 -4.999 -4.086 0.599 96 H CYS 17 H CYS 17 -3.599 -1.761 4.833 97 HA CYS 17 HA CYS 17 -3.721 -2.061 7.734 98 HB2 CYS 17 1HB CYS 17 -1.964 -0.339 7.777 99 HB3 CYS 17 2HB CYS 17 -1.522 -1.687 6.734 100 H GLY 18 H GLY 18 -4.364 0.403 5.249 101 HA2 GLY 18 1HA GLY 18 -6.640 1.485 5.712 102 HA3 GLY 18 2HA GLY 18 -5.910 1.913 7.252 103 H THR 19 H THR 19 -3.273 2.339 5.930 104 HA THR 19 HA THR 19 -3.118 5.008 5.739 105 HB THR 19 HB THR 19 -1.674 3.010 3.994 106 HG1 THR 19 HG1 THR 19 -0.227 3.002 5.597 107 HG21 THR 19 3HG2 THR 19 -1.643 5.224 2.928 108 HG22 THR 19 1HG2 THR 19 -0.048 4.770 3.527 109 HG23 THR 19 2HG2 THR 19 -1.029 5.930 4.422 110 H ARG 20 H ARG 20 -4.092 6.542 4.602 111 HA ARG 20 HA ARG 20 -5.582 5.853 2.211 112 HB2 ARG 20 1HB ARG 20 -5.318 8.594 3.438 113 HB3 ARG 20 2HB ARG 20 -6.606 7.987 2.404 114 HG2 ARG 20 1HG ARG 20 -7.649 6.892 4.105 115 HG3 ARG 20 2HG ARG 20 -6.150 6.617 4.995 116 HD2 ARG 20 1HD ARG 20 -6.128 8.798 5.852 117 HD3 ARG 20 2HD ARG 20 -7.296 9.369 4.662 118 HE ARG 20 HE ARG 20 -8.514 7.388 6.218 119 HH11 ARG 20 1HH1 ARG 20 -7.275 10.626 6.535 120 HH12 ARG 20 2HH1 ARG 20 -8.366 11.059 7.809 121 HH21 ARG 20 1HH2 ARG 20 -9.956 7.946 7.895 122 HH22 ARG 20 2HH2 ARG 20 -9.890 9.533 8.582 123 H PHE 21 H PHE 21 -5.469 7.324 0.301 124 HA PHE 21 HA PHE 21 -2.808 8.462 -0.148 125 HB2 PHE 21 1HB PHE 21 -4.125 6.343 -1.847 126 HB3 PHE 21 2HB PHE 21 -2.821 7.365 -2.443 127 HD1 PHE 21 HD2 PHE 21 -3.641 5.056 0.360 128 HD2 PHE 21 HD1 PHE 21 -0.635 6.681 -2.178 129 HE1 PHE 21 HE2 PHE 21 -1.992 3.506 1.325 130 HE2 PHE 21 HE1 PHE 21 1.018 5.133 -1.217 131 HZ PHE 21 HZ PHE 21 0.341 3.543 0.538 132 H ARG 22 H ARG 22 -2.800 10.269 -1.381 133 HA ARG 22 HA ARG 22 -4.936 11.891 -1.687 134 HB2 ARG 22 1HB ARG 22 -3.712 13.038 -3.504 135 HB3 ARG 22 2HB ARG 22 -2.679 12.654 -2.133 136 HG2 ARG 22 1HG ARG 22 -1.651 10.862 -3.296 137 HG3 ARG 22 2HG ARG 22 -2.842 10.941 -4.596 138 HD2 ARG 22 1HD ARG 22 -1.968 12.952 -5.425 139 HD3 ARG 22 2HD ARG 22 -1.070 13.272 -3.942 140 HE ARG 22 HE ARG 22 0.049 10.987 -4.835 141 HH11 ARG 22 1HH1 ARG 22 -0.623 14.047 -6.354 142 HH12 ARG 22 2HH1 ARG 22 0.717 13.947 -7.446 143 HH21 ARG 22 1HH2 ARG 22 1.817 10.844 -6.268 144 HH22 ARG 22 2HH2 ARG 22 2.104 12.124 -7.397 145 H HIS 23 H HIS 23 -3.881 9.433 -4.005 146 HA HIS 23 HA HIS 23 -6.476 9.730 -5.371 147 HB2 HIS 23 1HB HIS 23 -3.722 9.485 -6.469 148 HB3 HIS 23 2HB HIS 23 -5.011 8.648 -7.329 149 HD2 HIS 23 HD2 HIS 23 -5.844 12.118 -5.791 150 HE1 HIS 23 HE1 HIS 23 -5.496 12.574 -9.995 151 HE2 HIS 23 HE2 HIS 23 -6.074 13.705 -7.820 152 H LEU 24 H LEU 24 -7.126 7.711 -6.566 153 HA LEU 24 HA LEU 24 -6.931 5.475 -4.750 154 HB2 LEU 24 1HB LEU 24 -9.051 6.179 -5.858 155 HB3 LEU 24 2HB LEU 24 -8.368 5.646 -7.393 156 HG LEU 24 HG LEU 24 -9.967 4.038 -6.386 157 HD11 LEU 24 1HD1 LEU 24 -7.486 2.504 -6.271 158 HD12 LEU 24 2HD1 LEU 24 -7.610 3.553 -7.683 159 HD13 LEU 24 3HD1 LEU 24 -8.865 2.357 -7.360 160 HD21 LEU 24 3HD2 LEU 24 -8.596 4.600 -4.036 161 HD22 LEU 24 1HD2 LEU 24 -8.117 2.954 -4.448 162 HD23 LEU 24 2HD2 LEU 24 -9.825 3.357 -4.273 163 H GLN 25 H GLN 25 -6.493 5.768 -8.282 164 HA GLN 25 HA GLN 25 -5.430 3.428 -8.977 165 HB2 GLN 25 1HB GLN 25 -3.979 4.588 -10.602 166 HB3 GLN 25 2HB GLN 25 -5.601 5.266 -10.552 167 HG2 GLN 25 1HG GLN 25 -4.851 7.150 -9.292 168 HG3 GLN 25 2HG GLN 25 -3.252 6.437 -9.087 169 HE21 GLN 25 1HE2 GLN 25 -4.212 8.976 -10.334 170 HE22 GLN 25 2HE2 GLN 25 -3.512 8.982 -11.913 171 H THR 26 H THR 26 -3.658 5.937 -7.224 172 HA THR 26 HA THR 26 -1.166 4.608 -7.177 173 HB THR 26 HB THR 26 -2.241 6.623 -5.194 174 HG1 THR 26 HG1 THR 26 -1.543 8.143 -6.576 175 HG21 THR 26 3HG2 THR 26 0.133 5.107 -5.162 176 HG22 THR 26 1HG2 THR 26 -0.285 6.479 -4.137 177 HG23 THR 26 2HG2 THR 26 0.588 6.740 -5.646 178 H LEU 27 H LEU 27 -3.714 4.867 -4.697 179 HA LEU 27 HA LEU 27 -2.616 3.379 -2.686 180 HB2 LEU 27 1HB LEU 27 -4.691 4.407 -2.290 181 HB3 LEU 27 2HB LEU 27 -5.449 3.586 -3.653 182 HG LEU 27 HG LEU 27 -5.344 1.465 -2.411 183 HD11 LEU 27 1HD1 LEU 27 -4.183 3.199 -0.242 184 HD12 LEU 27 2HD1 LEU 27 -3.440 1.801 -1.017 185 HD13 LEU 27 3HD1 LEU 27 -4.841 1.586 0.032 186 HD21 LEU 27 3HD2 LEU 27 -7.423 2.287 -2.075 187 HD22 LEU 27 1HD2 LEU 27 -6.833 3.841 -1.484 188 HD23 LEU 27 2HD2 LEU 27 -6.846 2.439 -0.414 189 H LYS 28 H LYS 28 -4.414 2.142 -5.487 190 HA LYS 28 HA LYS 28 -4.483 -0.543 -4.881 191 HB2 LYS 28 1HB LYS 28 -4.311 0.970 -7.457 192 HB3 LYS 28 2HB LYS 28 -4.190 -0.785 -7.485 193 HG2 LYS 28 1HG LYS 28 -6.362 -1.080 -6.766 194 HG3 LYS 28 2HG LYS 28 -6.451 0.528 -6.044 195 HD2 LYS 28 1HD LYS 28 -6.661 1.569 -8.156 196 HD3 LYS 28 2HD LYS 28 -6.185 0.100 -9.010 197 HE2 LYS 28 1HE LYS 28 -8.688 0.360 -7.351 198 HE3 LYS 28 2HE LYS 28 -8.630 0.608 -9.096 199 HZ1 LYS 28 3HZ LYS 28 -7.812 -1.677 -9.325 200 HZ2 LYS 28 1HZ LYS 28 -9.341 -1.622 -8.601 201 HZ3 LYS 28 2HZ LYS 28 -7.967 -1.903 -7.656 202 H SER 29 H SER 29 -1.793 1.370 -6.064 203 HA SER 29 HA SER 29 -0.106 -0.912 -6.548 204 HB2 SER 29 1HB SER 29 0.290 2.064 -6.617 205 HB3 SER 29 2HB SER 29 1.681 0.982 -6.671 206 HG SER 29 HG SER 29 1.259 0.811 -8.713 207 H HIS 30 H HIS 30 -0.899 1.082 -3.865 208 HA HIS 30 HA HIS 30 1.486 0.655 -2.354 209 HB2 HIS 30 1HB HIS 30 0.381 2.507 -1.562 210 HB3 HIS 30 2HB HIS 30 -1.212 1.803 -1.823 211 HD1 HIS 30 HD1 HIS 30 1.725 1.422 0.558 212 HD2 HIS 30 HD2 HIS 30 -2.394 0.886 0.441 213 HE1 HIS 30 HE1 HIS 30 1.059 0.808 2.905 214 H LEU 31 H LEU 31 -1.353 -1.188 -2.965 215 HA LEU 31 HA LEU 31 -1.264 -2.811 -0.620 216 HB2 LEU 31 1HB LEU 31 -2.449 -3.755 -3.191 217 HB3 LEU 31 2HB LEU 31 -3.010 -4.010 -1.540 218 HG LEU 31 HG LEU 31 -3.358 -1.589 -3.284 219 HD11 LEU 31 1HD1 LEU 31 -5.729 -1.926 -2.589 220 HD12 LEU 31 2HD1 LEU 31 -5.230 -3.423 -1.802 221 HD13 LEU 31 3HD1 LEU 31 -5.057 -3.245 -3.547 222 HD21 LEU 31 3HD2 LEU 31 -4.427 -0.557 -1.246 223 HD22 LEU 31 1HD2 LEU 31 -2.666 -0.648 -1.223 224 HD23 LEU 31 2HD2 LEU 31 -3.620 -1.803 -0.293 225 H ARG 32 H ARG 32 0.709 -2.625 -3.320 226 HA ARG 32 HA ARG 32 1.320 -5.305 -3.857 227 HB2 ARG 32 1HB ARG 32 2.679 -2.694 -4.273 228 HB3 ARG 32 2HB ARG 32 3.669 -4.142 -4.393 229 HG2 ARG 32 1HG ARG 32 2.841 -3.453 -6.572 230 HG3 ARG 32 2HG ARG 32 2.189 -5.027 -6.113 231 HD2 ARG 32 1HD ARG 32 0.065 -4.192 -5.760 232 HD3 ARG 32 2HD ARG 32 0.645 -2.550 -5.485 233 HE ARG 32 HE ARG 32 0.619 -2.179 -7.763 234 HH11 ARG 32 1HH1 ARG 32 0.070 -5.550 -7.088 235 HH12 ARG 32 2HH1 ARG 32 -0.411 -5.930 -8.708 236 HH21 ARG 32 1HH2 ARG 32 -0.013 -2.667 -9.899 237 HH22 ARG 32 2HH2 ARG 32 -0.457 -4.290 -10.307 238 H ILE 33 H ILE 33 2.733 -3.030 -1.534 239 HA ILE 33 HA ILE 33 4.726 -4.789 -0.566 240 HB ILE 33 HB ILE 33 5.098 -3.239 1.185 241 HG12 ILE 33 1HG1 ILE 33 2.443 -1.929 0.580 242 HG13 ILE 33 2HG1 ILE 33 2.657 -3.130 1.849 243 HG21 ILE 33 1HG2 ILE 33 4.427 -2.157 -1.477 244 HG22 ILE 33 2HG2 ILE 33 4.641 -0.976 -0.186 245 HG23 ILE 33 3HG2 ILE 33 5.942 -2.102 -0.576 246 HD11 ILE 33 3HD1 ILE 33 4.110 -1.707 3.063 247 HD12 ILE 33 1HD1 ILE 33 4.221 -0.570 1.719 248 HD13 ILE 33 2HD1 ILE 33 2.704 -0.748 2.601 249 H HIS 34 H HIS 34 1.346 -4.429 0.121 250 HA HIS 34 HA HIS 34 1.364 -5.778 2.638 251 HB2 HIS 34 1HB HIS 34 -0.809 -5.064 0.677 252 HB3 HIS 34 2HB HIS 34 -1.144 -6.004 2.128 253 HD1 HIS 34 HD1 HIS 34 0.493 -4.507 4.203 254 HD2 HIS 34 HD2 HIS 34 -1.790 -2.614 1.293 255 HE1 HIS 34 HE1 HIS 34 0.009 -2.214 5.115 256 H THR 35 H THR 35 0.657 -6.754 -0.696 257 HA THR 35 HA THR 35 0.654 -9.562 0.194 258 HB THR 35 HB THR 35 -1.433 -8.843 -0.909 259 HG1 THR 35 HG1 THR 35 -0.065 -10.985 -1.378 260 HG21 THR 35 3HG2 THR 35 -1.335 -8.442 -3.390 261 HG22 THR 35 1HG2 THR 35 0.411 -8.267 -3.225 262 HG23 THR 35 2HG2 THR 35 -0.669 -7.142 -2.402 263 H GLY 36 H GLY 36 3.089 -8.164 -0.183 264 HA2 GLY 36 1HA GLY 36 4.098 -9.395 -2.673 265 HA3 GLY 36 2HA GLY 36 4.790 -7.959 -1.934 266 H SER 37 H SER 37 6.578 -8.255 -0.793 267 HA SER 37 HA SER 37 7.784 -10.742 -0.433 268 HB2 SER 37 1HB SER 37 9.479 -9.610 0.766 269 HB3 SER 37 2HB SER 37 8.857 -8.412 -0.368 270 HG SER 37 HG SER 37 8.794 -8.432 2.366 271 H GLY 38 H GLY 38 7.638 -12.292 1.071 272 HA2 GLY 38 1HA GLY 38 5.523 -12.382 2.901 273 HA3 GLY 38 2HA GLY 38 6.918 -13.451 2.915 274 HA PRO 39 HA PRO 39 6.883 -10.212 6.462 275 HB2 PRO 39 1HB PRO 39 5.636 -11.633 8.411 276 HB3 PRO 39 2HB PRO 39 4.775 -10.549 7.312 277 HG2 PRO 39 1HG PRO 39 5.062 -13.527 7.196 278 HG3 PRO 39 2HG PRO 39 3.623 -12.529 6.913 279 HD2 PRO 39 1HD PRO 39 5.106 -13.555 4.893 280 HD3 PRO 39 2HD PRO 39 4.260 -12.000 4.761 281 H SER 40 H SER 40 8.024 -13.194 5.649 282 HA SER 40 HA SER 40 9.340 -13.873 8.122 283 HB2 SER 40 1HB SER 40 10.362 -15.688 6.848 284 HB3 SER 40 2HB SER 40 8.633 -15.615 6.508 285 HG SER 40 HG SER 40 9.612 -15.787 4.552 286 H SER 41 H SER 41 9.963 -11.278 7.466 287 HA SER 41 HA SER 41 12.812 -11.368 7.453 288 HB2 SER 41 1HB SER 41 13.215 -10.084 5.416 289 HB3 SER 41 2HB SER 41 12.384 -11.589 5.021 290 HG SER 41 HG SER 41 11.305 -8.976 5.154 291 H GLY 42 H GLY 42 13.148 -10.002 9.080 292 HA2 GLY 42 1HA GLY 42 12.535 -7.233 8.831 293 HA3 GLY 42 2HA GLY 42 11.461 -8.007 9.987 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -20.469 25.629 -5.786 2 HA2 GLY 1 1HA GLY 1 -19.338 25.587 -3.738 3 HA3 GLY 1 2HA GLY 1 -20.379 24.272 -3.216 4 H SER 2 H SER 2 -18.825 22.874 -2.514 5 HA SER 2 HA SER 2 -17.239 21.593 -4.603 6 HB2 SER 2 1HB SER 2 -16.042 22.604 -2.012 7 HB3 SER 2 2HB SER 2 -15.206 21.607 -3.202 8 HG SER 2 HG SER 2 -16.382 24.046 -3.967 9 H SER 3 H SER 3 -17.315 19.447 -4.442 10 HA SER 3 HA SER 3 -18.867 18.180 -2.447 11 HB2 SER 3 1HB SER 3 -18.770 17.178 -4.621 12 HB3 SER 3 2HB SER 3 -17.010 17.076 -4.562 13 HG SER 3 HG SER 3 -18.724 15.725 -2.753 14 H GLY 4 H GLY 4 -17.805 18.930 -0.504 15 HA2 GLY 4 1HA GLY 4 -15.817 17.022 0.401 16 HA3 GLY 4 2HA GLY 4 -15.272 18.692 0.359 17 H SER 5 H SER 5 -16.887 16.327 2.151 18 HA SER 5 HA SER 5 -18.472 18.067 3.785 19 HB2 SER 5 1HB SER 5 -19.036 15.679 3.473 20 HB3 SER 5 2HB SER 5 -17.557 15.229 4.321 21 HG SER 5 HG SER 5 -18.426 15.806 6.182 22 H SER 6 H SER 6 -15.512 16.178 4.421 23 HA SER 6 HA SER 6 -14.732 18.236 6.376 24 HB2 SER 6 1HB SER 6 -15.450 16.410 7.726 25 HB3 SER 6 2HB SER 6 -14.633 15.235 6.695 26 HG SER 6 HG SER 6 -12.647 16.109 7.395 27 H GLY 7 H GLY 7 -13.419 19.139 4.709 28 HA2 GLY 7 1HA GLY 7 -11.286 19.514 3.895 29 HA3 GLY 7 2HA GLY 7 -10.772 18.019 4.661 30 H GLY 8 H GLY 8 -9.561 17.392 2.851 31 HA2 GLY 8 1HA GLY 8 -10.882 15.752 1.002 32 HA3 GLY 8 2HA GLY 8 -10.550 17.289 0.218 33 H GLU 9 H GLU 9 -8.959 14.713 2.081 34 HA GLU 9 HA GLU 9 -6.728 14.795 0.213 35 HB2 GLU 9 1HB GLU 9 -6.532 15.487 3.120 36 HB3 GLU 9 2HB GLU 9 -5.190 14.665 2.336 37 HG2 GLU 9 1HG GLU 9 -6.385 17.245 1.358 38 HG3 GLU 9 2HG GLU 9 -4.983 17.140 2.421 39 H LYS 10 H LYS 10 -6.368 12.776 -0.391 40 HA LYS 10 HA LYS 10 -6.205 10.508 -0.394 41 HB2 LYS 10 1HB LYS 10 -5.926 10.698 2.605 42 HB3 LYS 10 2HB LYS 10 -5.317 9.431 1.548 43 HG2 LYS 10 1HG LYS 10 -3.673 10.888 0.623 44 HG3 LYS 10 2HG LYS 10 -4.375 12.286 1.441 45 HD2 LYS 10 1HD LYS 10 -3.550 11.662 3.501 46 HD3 LYS 10 2HD LYS 10 -3.460 9.954 3.065 47 HE2 LYS 10 1HE LYS 10 -1.228 10.712 3.167 48 HE3 LYS 10 2HE LYS 10 -1.620 10.603 1.451 49 HZ1 LYS 10 3HZ LYS 10 -1.779 13.120 3.013 50 HZ2 LYS 10 1HZ LYS 10 -1.897 12.945 1.334 51 HZ3 LYS 10 2HZ LYS 10 -0.423 12.661 2.113 52 HA PRO 11 HA PRO 11 -10.630 10.337 1.251 53 HB2 PRO 11 1HB PRO 11 -11.866 10.310 -1.166 54 HB3 PRO 11 2HB PRO 11 -11.495 11.802 -0.294 55 HG2 PRO 11 1HG PRO 11 -10.011 10.506 -2.548 56 HG3 PRO 11 2HG PRO 11 -10.394 12.220 -2.299 57 HD2 PRO 11 1HD PRO 11 -7.959 11.175 -1.742 58 HD3 PRO 11 2HD PRO 11 -8.653 12.523 -0.819 59 H TYR 12 H TYR 12 -8.413 8.498 -0.320 60 HA TYR 12 HA TYR 12 -10.246 6.197 -0.517 61 HB2 TYR 12 1HB TYR 12 -7.726 6.735 -2.102 62 HB3 TYR 12 2HB TYR 12 -8.669 5.251 -2.184 63 HD1 TYR 12 HD1 TYR 12 -8.727 8.876 -2.910 64 HD2 TYR 12 HD2 TYR 12 -10.639 5.121 -3.506 65 HE1 TYR 12 HE1 TYR 12 -10.135 9.877 -4.661 66 HE2 TYR 12 HE2 TYR 12 -12.051 6.112 -5.259 67 HH TYR 12 HH TYR 12 -11.997 8.024 -6.805 68 HA PRO 13 HA PRO 13 -7.378 5.230 2.930 69 HB2 PRO 13 1HB PRO 13 -9.207 3.775 4.312 70 HB3 PRO 13 2HB PRO 13 -9.097 5.535 4.424 71 HG2 PRO 13 1HG PRO 13 -10.975 3.854 2.809 72 HG3 PRO 13 2HG PRO 13 -11.315 5.309 3.764 73 HD2 PRO 13 1HD PRO 13 -11.029 5.367 1.072 74 HD3 PRO 13 2HD PRO 13 -10.551 6.724 2.112 75 H CYS 14 H CYS 14 -6.172 3.413 3.180 76 HA CYS 14 HA CYS 14 -6.320 1.366 1.245 77 HB2 CYS 14 1HB CYS 14 -4.189 1.905 2.194 78 HB3 CYS 14 2HB CYS 14 -4.769 1.589 3.826 79 H GLU 15 H GLU 15 -6.493 -0.969 1.713 80 HA GLU 15 HA GLU 15 -8.756 -1.455 3.508 81 HB2 GLU 15 1HB GLU 15 -9.274 -2.223 1.352 82 HB3 GLU 15 2HB GLU 15 -7.668 -2.895 1.107 83 HG2 GLU 15 1HG GLU 15 -8.127 -4.796 2.297 84 HG3 GLU 15 2HG GLU 15 -9.379 -4.020 3.264 85 H ILE 16 H ILE 16 -5.496 -2.585 2.780 86 HA ILE 16 HA ILE 16 -5.464 -4.728 4.627 87 HB ILE 16 HB ILE 16 -3.119 -3.125 3.599 88 HG12 ILE 16 1HG1 ILE 16 -3.041 -5.376 2.154 89 HG13 ILE 16 2HG1 ILE 16 -4.779 -5.297 2.422 90 HG21 ILE 16 1HG2 ILE 16 -1.947 -5.357 4.022 91 HG22 ILE 16 2HG2 ILE 16 -2.340 -4.363 5.424 92 HG23 ILE 16 3HG2 ILE 16 -3.343 -5.757 5.021 93 HD11 ILE 16 3HD1 ILE 16 -3.369 -4.039 0.423 94 HD12 ILE 16 1HD1 ILE 16 -5.023 -3.682 0.921 95 HD13 ILE 16 2HD1 ILE 16 -3.681 -2.751 1.586 96 H CYS 17 H CYS 17 -3.498 -1.773 4.890 97 HA CYS 17 HA CYS 17 -3.591 -1.993 7.789 98 HB2 CYS 17 1HB CYS 17 -1.891 -0.214 7.761 99 HB3 CYS 17 2HB CYS 17 -1.430 -1.566 6.731 100 H GLY 18 H GLY 18 -4.371 0.411 5.285 101 HA2 GLY 18 1HA GLY 18 -6.654 1.444 5.751 102 HA3 GLY 18 2HA GLY 18 -5.950 1.874 7.303 103 H THR 19 H THR 19 -3.314 2.378 5.983 104 HA THR 19 HA THR 19 -3.272 5.072 5.818 105 HB THR 19 HB THR 19 -1.664 3.116 4.175 106 HG1 THR 19 HG1 THR 19 -1.485 3.266 6.566 107 HG21 THR 19 3HG2 THR 19 -1.725 6.060 4.115 108 HG22 THR 19 1HG2 THR 19 -1.141 4.913 2.910 109 HG23 THR 19 2HG2 THR 19 -0.123 5.343 4.284 110 H ARG 20 H ARG 20 -4.193 6.576 4.595 111 HA ARG 20 HA ARG 20 -5.615 5.809 2.192 112 HB2 ARG 20 1HB ARG 20 -5.368 8.578 3.364 113 HB3 ARG 20 2HB ARG 20 -6.608 7.980 2.269 114 HG2 ARG 20 1HG ARG 20 -7.761 6.927 3.922 115 HG3 ARG 20 2HG ARG 20 -6.317 6.627 4.891 116 HD2 ARG 20 1HD ARG 20 -7.183 9.443 4.496 117 HD3 ARG 20 2HD ARG 20 -8.126 8.432 5.590 118 HE ARG 20 HE ARG 20 -5.432 9.406 5.998 119 HH11 ARG 20 1HH1 ARG 20 -7.896 7.145 6.968 120 HH12 ARG 20 2HH1 ARG 20 -7.215 6.877 8.538 121 HH21 ARG 20 1HH2 ARG 20 -4.526 9.061 8.063 122 HH22 ARG 20 2HH2 ARG 20 -5.299 7.968 9.161 123 H PHE 21 H PHE 21 -5.492 7.425 0.305 124 HA PHE 21 HA PHE 21 -2.802 8.455 -0.144 125 HB2 PHE 21 1HB PHE 21 -4.098 6.297 -1.806 126 HB3 PHE 21 2HB PHE 21 -2.801 7.313 -2.428 127 HD1 PHE 21 HD2 PHE 21 -3.608 5.067 0.428 128 HD2 PHE 21 HD1 PHE 21 -0.609 6.662 -2.136 129 HE1 PHE 21 HE2 PHE 21 -1.947 3.557 1.437 130 HE2 PHE 21 HE1 PHE 21 1.056 5.153 -1.133 131 HZ PHE 21 HZ PHE 21 0.388 3.599 0.657 132 H ARG 22 H ARG 22 -2.789 10.279 -1.329 133 HA ARG 22 HA ARG 22 -4.852 11.922 -1.720 134 HB2 ARG 22 1HB ARG 22 -3.634 13.009 -3.531 135 HB3 ARG 22 2HB ARG 22 -2.528 12.514 -2.257 136 HG2 ARG 22 1HG ARG 22 -2.185 10.400 -3.708 137 HG3 ARG 22 2HG ARG 22 -2.875 11.385 -5.000 138 HD2 ARG 22 1HD ARG 22 -0.525 12.220 -3.307 139 HD3 ARG 22 2HD ARG 22 -0.378 11.426 -4.874 140 HE ARG 22 HE ARG 22 -1.944 13.545 -5.433 141 HH11 ARG 22 1HH1 ARG 22 1.093 13.229 -3.760 142 HH12 ARG 22 2HH1 ARG 22 1.655 14.805 -4.212 143 HH21 ARG 22 1HH2 ARG 22 -1.215 15.621 -6.035 144 HH22 ARG 22 2HH2 ARG 22 0.341 16.164 -5.506 145 H HIS 23 H HIS 23 -3.862 9.470 -4.096 146 HA HIS 23 HA HIS 23 -6.542 9.695 -5.301 147 HB2 HIS 23 1HB HIS 23 -3.849 9.551 -6.569 148 HB3 HIS 23 2HB HIS 23 -5.180 8.727 -7.375 149 HD2 HIS 23 HD2 HIS 23 -4.627 12.412 -6.006 150 HE1 HIS 23 HE1 HIS 23 -6.865 12.526 -9.608 151 HE2 HIS 23 HE2 HIS 23 -5.720 13.889 -7.827 152 H LEU 24 H LEU 24 -7.191 7.679 -6.496 153 HA LEU 24 HA LEU 24 -6.840 5.422 -4.743 154 HB2 LEU 24 1HB LEU 24 -9.018 5.999 -5.741 155 HB3 LEU 24 2HB LEU 24 -8.362 5.643 -7.337 156 HG LEU 24 HG LEU 24 -9.755 3.819 -6.578 157 HD11 LEU 24 1HD1 LEU 24 -8.315 2.060 -7.081 158 HD12 LEU 24 2HD1 LEU 24 -6.936 2.838 -6.304 159 HD13 LEU 24 3HD1 LEU 24 -7.548 3.456 -7.838 160 HD21 LEU 24 3HD2 LEU 24 -8.334 4.273 -4.080 161 HD22 LEU 24 1HD2 LEU 24 -8.387 2.571 -4.539 162 HD23 LEU 24 2HD2 LEU 24 -9.886 3.487 -4.376 163 H GLN 25 H GLN 25 -6.492 5.780 -8.279 164 HA GLN 25 HA GLN 25 -5.355 3.501 -9.041 165 HB2 GLN 25 1HB GLN 25 -3.919 4.778 -10.629 166 HB3 GLN 25 2HB GLN 25 -5.594 5.313 -10.604 167 HG2 GLN 25 1HG GLN 25 -5.086 7.306 -9.570 168 HG3 GLN 25 2HG GLN 25 -3.580 6.690 -8.891 169 HE21 GLN 25 1HE2 GLN 25 -1.779 7.300 -9.847 170 HE22 GLN 25 2HE2 GLN 25 -1.638 7.912 -11.456 171 H THR 26 H THR 26 -3.758 5.929 -7.072 172 HA THR 26 HA THR 26 -1.184 4.688 -7.140 173 HB THR 26 HB THR 26 -2.277 6.675 -5.137 174 HG1 THR 26 HG1 THR 26 -1.948 7.080 -7.637 175 HG21 THR 26 3HG2 THR 26 -0.367 6.178 -4.061 176 HG22 THR 26 1HG2 THR 26 0.420 7.094 -5.345 177 HG23 THR 26 2HG2 THR 26 0.310 5.337 -5.455 178 H LEU 27 H LEU 27 -3.708 4.908 -4.630 179 HA LEU 27 HA LEU 27 -2.576 3.424 -2.639 180 HB2 LEU 27 1HB LEU 27 -4.668 4.430 -2.240 181 HB3 LEU 27 2HB LEU 27 -5.423 3.572 -3.582 182 HG LEU 27 HG LEU 27 -5.256 1.472 -2.310 183 HD11 LEU 27 1HD1 LEU 27 -4.216 3.235 -0.097 184 HD12 LEU 27 2HD1 LEU 27 -3.300 2.004 -0.964 185 HD13 LEU 27 3HD1 LEU 27 -4.657 1.535 0.059 186 HD21 LEU 27 3HD2 LEU 27 -6.965 3.666 -1.819 187 HD22 LEU 27 1HD2 LEU 27 -6.627 2.909 -0.262 188 HD23 LEU 27 2HD2 LEU 27 -7.296 1.949 -1.582 189 H LYS 28 H LYS 28 -4.336 2.183 -5.458 190 HA LYS 28 HA LYS 28 -4.370 -0.511 -4.852 191 HB2 LYS 28 1HB LYS 28 -4.284 1.031 -7.409 192 HB3 LYS 28 2HB LYS 28 -4.082 -0.715 -7.472 193 HG2 LYS 28 1HG LYS 28 -6.225 -1.100 -6.578 194 HG3 LYS 28 2HG LYS 28 -6.401 0.583 -6.074 195 HD2 LYS 28 1HD LYS 28 -6.755 1.325 -8.255 196 HD3 LYS 28 2HD LYS 28 -6.040 -0.124 -8.965 197 HE2 LYS 28 1HE LYS 28 -7.990 -1.391 -7.921 198 HE3 LYS 28 2HE LYS 28 -8.726 0.188 -7.651 199 HZ1 LYS 28 3HZ LYS 28 -8.154 -1.176 -10.197 200 HZ2 LYS 28 1HZ LYS 28 -8.262 0.512 -10.152 201 HZ3 LYS 28 2HZ LYS 28 -9.583 -0.433 -9.681 202 H SER 29 H SER 29 -1.743 1.442 -6.136 203 HA SER 29 HA SER 29 -0.018 -0.785 -6.657 204 HB2 SER 29 1HB SER 29 0.710 2.138 -6.350 205 HB3 SER 29 2HB SER 29 1.690 0.885 -7.112 206 HG SER 29 HG SER 29 -0.912 1.452 -8.036 207 H HIS 30 H HIS 30 -0.815 1.101 -3.897 208 HA HIS 30 HA HIS 30 1.593 0.618 -2.426 209 HB2 HIS 30 1HB HIS 30 0.546 2.461 -1.558 210 HB3 HIS 30 2HB HIS 30 -1.067 1.820 -1.857 211 HD1 HIS 30 HD1 HIS 30 1.826 1.299 0.546 212 HD2 HIS 30 HD2 HIS 30 -2.297 0.826 0.352 213 HE1 HIS 30 HE1 HIS 30 1.119 0.617 2.861 214 H LEU 31 H LEU 31 -1.446 -1.037 -2.857 215 HA LEU 31 HA LEU 31 -1.297 -2.751 -0.617 216 HB2 LEU 31 1HB LEU 31 -2.572 -3.559 -3.200 217 HB3 LEU 31 2HB LEU 31 -3.077 -3.920 -1.551 218 HG LEU 31 HG LEU 31 -3.474 -1.399 -3.130 219 HD11 LEU 31 1HD1 LEU 31 -5.097 -3.614 -2.222 220 HD12 LEU 31 2HD1 LEU 31 -5.464 -2.351 -3.397 221 HD13 LEU 31 3HD1 LEU 31 -5.740 -2.064 -1.679 222 HD21 LEU 31 3HD2 LEU 31 -2.606 -0.632 -1.031 223 HD22 LEU 31 1HD2 LEU 31 -3.647 -1.742 -0.141 224 HD23 LEU 31 2HD2 LEU 31 -4.354 -0.394 -1.031 225 H ARG 32 H ARG 32 0.671 -2.557 -3.296 226 HA ARG 32 HA ARG 32 1.171 -5.261 -3.900 227 HB2 ARG 32 1HB ARG 32 2.565 -2.679 -4.352 228 HB3 ARG 32 2HB ARG 32 3.538 -4.138 -4.481 229 HG2 ARG 32 1HG ARG 32 2.716 -3.517 -6.653 230 HG3 ARG 32 2HG ARG 32 1.949 -5.021 -6.142 231 HD2 ARG 32 1HD ARG 32 -0.101 -4.013 -5.798 232 HD3 ARG 32 2HD ARG 32 0.608 -2.414 -5.580 233 HE ARG 32 HE ARG 32 0.590 -2.113 -7.868 234 HH11 ARG 32 1HH1 ARG 32 -0.220 -5.406 -7.082 235 HH12 ARG 32 2HH1 ARG 32 -0.747 -5.796 -8.685 236 HH21 ARG 32 1HH2 ARG 32 -0.100 -2.615 -9.983 237 HH22 ARG 32 2HH2 ARG 32 -0.678 -4.208 -10.335 238 H ILE 33 H ILE 33 2.679 -3.042 -1.586 239 HA ILE 33 HA ILE 33 4.673 -4.835 -0.692 240 HB ILE 33 HB ILE 33 5.109 -3.317 1.064 241 HG12 ILE 33 1HG1 ILE 33 2.403 -2.051 0.593 242 HG13 ILE 33 2HG1 ILE 33 2.734 -3.219 1.868 243 HG21 ILE 33 1HG2 ILE 33 4.384 -2.211 -1.559 244 HG22 ILE 33 2HG2 ILE 33 4.542 -1.025 -0.264 245 HG23 ILE 33 3HG2 ILE 33 5.891 -2.093 -0.652 246 HD11 ILE 33 3HD1 ILE 33 2.827 -0.581 2.234 247 HD12 ILE 33 1HD1 ILE 33 3.827 -1.715 3.142 248 HD13 ILE 33 2HD1 ILE 33 4.501 -0.861 1.754 249 H HIS 34 H HIS 34 1.326 -4.361 0.176 250 HA HIS 34 HA HIS 34 1.375 -5.770 2.635 251 HB2 HIS 34 1HB HIS 34 -0.813 -5.024 0.709 252 HB3 HIS 34 2HB HIS 34 -1.146 -6.013 2.128 253 HD1 HIS 34 HD1 HIS 34 0.336 -4.650 4.322 254 HD2 HIS 34 HD2 HIS 34 -1.639 -2.535 1.341 255 HE1 HIS 34 HE1 HIS 34 -0.109 -2.375 5.295 256 H THR 35 H THR 35 0.254 -6.759 -0.604 257 HA THR 35 HA THR 35 0.359 -9.557 0.255 258 HB THR 35 HB THR 35 -1.703 -8.767 -0.868 259 HG1 THR 35 HG1 THR 35 -0.093 -10.798 -1.982 260 HG21 THR 35 3HG2 THR 35 -1.703 -8.228 -3.222 261 HG22 THR 35 1HG2 THR 35 0.035 -8.503 -3.323 262 HG23 THR 35 2HG2 THR 35 -0.590 -7.145 -2.388 263 H GLY 36 H GLY 36 1.972 -10.860 -0.328 264 HA2 GLY 36 1HA GLY 36 3.276 -11.643 -2.326 265 HA3 GLY 36 2HA GLY 36 3.744 -9.960 -2.514 266 H SER 37 H SER 37 4.217 -9.324 0.179 267 HA SER 37 HA SER 37 6.265 -11.207 1.071 268 HB2 SER 37 1HB SER 37 7.997 -9.525 1.183 269 HB3 SER 37 2HB SER 37 7.369 -9.567 -0.464 270 HG SER 37 HG SER 37 7.315 -7.548 1.377 271 H GLY 38 H GLY 38 7.261 -10.379 3.200 272 HA2 GLY 38 1HA GLY 38 6.772 -8.800 5.084 273 HA3 GLY 38 2HA GLY 38 5.083 -9.204 4.816 274 HA PRO 39 HA PRO 39 6.470 -11.942 8.216 275 HB2 PRO 39 1HB PRO 39 4.075 -11.915 9.493 276 HB3 PRO 39 2HB PRO 39 5.296 -10.656 9.715 277 HG2 PRO 39 1HG PRO 39 2.851 -10.641 7.987 278 HG3 PRO 39 2HG PRO 39 3.494 -9.357 9.027 279 HD2 PRO 39 1HD PRO 39 3.870 -9.385 6.346 280 HD3 PRO 39 2HD PRO 39 5.066 -8.710 7.471 281 H SER 40 H SER 40 4.545 -12.242 5.562 282 HA SER 40 HA SER 40 3.167 -14.675 6.270 283 HB2 SER 40 1HB SER 40 2.453 -14.697 3.916 284 HB3 SER 40 2HB SER 40 2.180 -13.115 4.647 285 HG SER 40 HG SER 40 3.141 -12.874 2.619 286 H SER 41 H SER 41 5.872 -14.948 6.775 287 HA SER 41 HA SER 41 7.539 -15.951 4.855 288 HB2 SER 41 1HB SER 41 7.171 -17.041 7.657 289 HB3 SER 41 2HB SER 41 8.579 -17.312 6.630 290 HG SER 41 HG SER 41 9.000 -15.096 6.701 291 H GLY 42 H GLY 42 7.157 -17.396 3.317 292 HA2 GLY 42 1HA GLY 42 5.938 -19.956 4.071 293 HA3 GLY 42 2HA GLY 42 5.217 -19.049 2.750 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -3.572 23.182 19.808 2 HA2 GLY 1 1HA GLY 1 -4.466 24.353 17.605 3 HA3 GLY 1 2HA GLY 1 -3.514 25.668 18.278 4 H SER 2 H SER 2 -2.949 22.158 18.093 5 HA SER 2 HA SER 2 -0.445 22.747 16.653 6 HB2 SER 2 1HB SER 2 0.483 20.695 17.772 7 HB3 SER 2 2HB SER 2 0.129 22.023 18.877 8 HG SER 2 HG SER 2 -1.941 20.241 18.456 9 H SER 3 H SER 3 -1.190 22.355 14.602 10 HA SER 3 HA SER 3 -1.417 19.604 13.831 11 HB2 SER 3 1HB SER 3 -3.645 19.822 12.756 12 HB3 SER 3 2HB SER 3 -3.729 19.962 14.512 13 HG SER 3 HG SER 3 -4.891 21.580 13.124 14 H GLY 4 H GLY 4 -0.213 19.501 12.062 15 HA2 GLY 4 1HA GLY 4 -0.162 21.842 10.265 16 HA3 GLY 4 2HA GLY 4 1.165 20.708 10.464 17 H SER 5 H SER 5 -0.373 21.602 8.064 18 HA SER 5 HA SER 5 -0.604 19.014 6.841 19 HB2 SER 5 1HB SER 5 -2.902 19.028 6.283 20 HB3 SER 5 2HB SER 5 -2.855 19.452 7.994 21 HG SER 5 HG SER 5 -2.702 21.729 6.854 22 H SER 6 H SER 6 -0.050 19.137 4.753 23 HA SER 6 HA SER 6 -0.581 21.482 3.165 24 HB2 SER 6 1HB SER 6 1.681 22.116 2.714 25 HB3 SER 6 2HB SER 6 1.517 22.040 4.469 26 HG SER 6 HG SER 6 2.887 20.439 4.524 27 H GLY 7 H GLY 7 -1.143 20.738 1.235 28 HA2 GLY 7 1HA GLY 7 0.037 19.485 -0.701 29 HA3 GLY 7 2HA GLY 7 -0.121 18.114 0.388 30 H GLY 8 H GLY 8 -2.040 17.045 0.529 31 HA2 GLY 8 1HA GLY 8 -4.430 18.225 -0.656 32 HA3 GLY 8 2HA GLY 8 -3.795 16.790 -1.448 33 H GLU 9 H GLU 9 -5.814 15.760 -0.955 34 HA GLU 9 HA GLU 9 -5.941 14.829 1.837 35 HB2 GLU 9 1HB GLU 9 -8.427 14.586 1.459 36 HB3 GLU 9 2HB GLU 9 -7.832 16.238 1.559 37 HG2 GLU 9 1HG GLU 9 -8.100 14.943 -1.110 38 HG3 GLU 9 2HG GLU 9 -9.537 15.546 -0.286 39 H LYS 10 H LYS 10 -6.528 12.669 2.173 40 HA LYS 10 HA LYS 10 -6.229 10.962 -0.207 41 HB2 LYS 10 1HB LYS 10 -5.591 10.425 2.697 42 HB3 LYS 10 2HB LYS 10 -5.534 9.197 1.440 43 HG2 LYS 10 1HG LYS 10 -3.348 9.799 1.462 44 HG3 LYS 10 2HG LYS 10 -3.946 10.972 0.286 45 HD2 LYS 10 1HD LYS 10 -4.305 12.517 2.303 46 HD3 LYS 10 2HD LYS 10 -3.272 11.388 3.183 47 HE2 LYS 10 1HE LYS 10 -1.974 13.252 2.303 48 HE3 LYS 10 2HE LYS 10 -1.493 11.736 1.542 49 HZ1 LYS 10 3HZ LYS 10 -2.743 12.300 -0.400 50 HZ2 LYS 10 1HZ LYS 10 -1.729 13.604 -0.031 51 HZ3 LYS 10 2HZ LYS 10 -3.379 13.685 0.334 52 HA PRO 11 HA PRO 11 -10.606 10.410 1.243 53 HB2 PRO 11 1HB PRO 11 -11.685 10.477 -1.247 54 HB3 PRO 11 2HB PRO 11 -11.385 11.933 -0.291 55 HG2 PRO 11 1HG PRO 11 -9.748 10.745 -2.498 56 HG3 PRO 11 2HG PRO 11 -10.162 12.443 -2.202 57 HD2 PRO 11 1HD PRO 11 -7.757 11.393 -1.535 58 HD3 PRO 11 2HD PRO 11 -8.522 12.695 -0.602 59 H TYR 12 H TYR 12 -8.278 8.662 -0.289 60 HA TYR 12 HA TYR 12 -10.071 6.355 -0.682 61 HB2 TYR 12 1HB TYR 12 -7.477 6.993 -2.100 62 HB3 TYR 12 2HB TYR 12 -8.382 5.496 -2.292 63 HD1 TYR 12 HD1 TYR 12 -8.470 9.143 -2.887 64 HD2 TYR 12 HD2 TYR 12 -10.282 5.384 -3.716 65 HE1 TYR 12 HE1 TYR 12 -9.802 10.186 -4.672 66 HE2 TYR 12 HE2 TYR 12 -11.618 6.416 -5.505 67 HH TYR 12 HH TYR 12 -12.461 8.960 -5.936 68 HA PRO 13 HA PRO 13 -7.388 5.265 2.876 69 HB2 PRO 13 1HB PRO 13 -9.276 3.743 4.095 70 HB3 PRO 13 2HB PRO 13 -9.187 5.498 4.286 71 HG2 PRO 13 1HG PRO 13 -10.961 3.873 2.503 72 HG3 PRO 13 2HG PRO 13 -11.364 5.286 3.497 73 HD2 PRO 13 1HD PRO 13 -10.933 5.457 0.829 74 HD3 PRO 13 2HD PRO 13 -10.524 6.772 1.949 75 H CYS 14 H CYS 14 -6.360 3.320 3.360 76 HA CYS 14 HA CYS 14 -6.392 1.359 1.260 77 HB2 CYS 14 1HB CYS 14 -4.264 1.938 2.214 78 HB3 CYS 14 2HB CYS 14 -4.830 1.562 3.838 79 H GLU 15 H GLU 15 -6.534 -0.979 1.708 80 HA GLU 15 HA GLU 15 -8.771 -1.509 3.526 81 HB2 GLU 15 1HB GLU 15 -9.230 -2.203 1.291 82 HB3 GLU 15 2HB GLU 15 -7.674 -3.010 1.152 83 HG2 GLU 15 1HG GLU 15 -9.065 -4.793 1.471 84 HG3 GLU 15 2HG GLU 15 -8.569 -4.456 3.129 85 H ILE 16 H ILE 16 -5.505 -2.577 2.749 86 HA ILE 16 HA ILE 16 -5.422 -4.754 4.554 87 HB ILE 16 HB ILE 16 -3.127 -3.090 3.509 88 HG12 ILE 16 1HG1 ILE 16 -2.999 -5.349 2.081 89 HG13 ILE 16 2HG1 ILE 16 -4.735 -5.323 2.373 90 HG21 ILE 16 1HG2 ILE 16 -2.060 -5.505 3.905 91 HG22 ILE 16 2HG2 ILE 16 -2.072 -4.251 5.144 92 HG23 ILE 16 3HG2 ILE 16 -3.285 -5.531 5.173 93 HD11 ILE 16 3HD1 ILE 16 -3.301 -3.961 0.396 94 HD12 ILE 16 1HD1 ILE 16 -5.017 -3.824 0.777 95 HD13 ILE 16 2HD1 ILE 16 -3.856 -2.734 1.535 96 H CYS 17 H CYS 17 -3.518 -1.761 4.854 97 HA CYS 17 HA CYS 17 -3.602 -2.035 7.754 98 HB2 CYS 17 1HB CYS 17 -1.912 -0.221 7.736 99 HB3 CYS 17 2HB CYS 17 -1.431 -1.604 6.758 100 H GLY 18 H GLY 18 -4.343 0.419 5.284 101 HA2 GLY 18 1HA GLY 18 -6.635 1.446 5.757 102 HA3 GLY 18 2HA GLY 18 -5.927 1.861 7.311 103 H THR 19 H THR 19 -3.293 2.312 5.874 104 HA THR 19 HA THR 19 -3.185 5.010 5.788 105 HB THR 19 HB THR 19 -1.711 3.028 4.061 106 HG1 THR 19 HG1 THR 19 -1.341 4.259 6.531 107 HG21 THR 19 3HG2 THR 19 -1.552 4.958 2.745 108 HG22 THR 19 1HG2 THR 19 -0.096 5.005 3.737 109 HG23 THR 19 2HG2 THR 19 -1.477 6.021 4.150 110 H ARG 20 H ARG 20 -4.094 6.583 4.643 111 HA ARG 20 HA ARG 20 -5.608 5.906 2.250 112 HB2 ARG 20 1HB ARG 20 -5.434 8.622 3.542 113 HB3 ARG 20 2HB ARG 20 -6.709 7.987 2.510 114 HG2 ARG 20 1HG ARG 20 -7.694 6.823 4.200 115 HG3 ARG 20 2HG ARG 20 -6.177 6.589 5.071 116 HD2 ARG 20 1HD ARG 20 -6.306 8.614 6.120 117 HD3 ARG 20 2HD ARG 20 -7.213 9.359 4.804 118 HE ARG 20 HE ARG 20 -8.288 7.900 7.060 119 HH11 ARG 20 1HH1 ARG 20 -8.865 9.190 3.879 120 HH12 ARG 20 2HH1 ARG 20 -10.587 9.227 4.063 121 HH21 ARG 20 1HH2 ARG 20 -10.554 7.943 7.315 122 HH22 ARG 20 2HH2 ARG 20 -11.547 8.518 6.019 123 H PHE 21 H PHE 21 -5.395 7.050 0.272 124 HA PHE 21 HA PHE 21 -2.809 8.409 -0.092 125 HB2 PHE 21 1HB PHE 21 -4.066 6.284 -1.827 126 HB3 PHE 21 2HB PHE 21 -2.781 7.341 -2.401 127 HD1 PHE 21 HD2 PHE 21 -3.584 4.930 0.312 128 HD2 PHE 21 HD1 PHE 21 -0.568 6.755 -2.072 129 HE1 PHE 21 HE2 PHE 21 -1.908 3.405 1.271 130 HE2 PHE 21 HE1 PHE 21 1.113 5.233 -1.117 131 HZ PHE 21 HZ PHE 21 0.444 3.556 0.558 132 H ARG 22 H ARG 22 -2.750 10.085 -1.588 133 HA ARG 22 HA ARG 22 -4.859 11.787 -1.790 134 HB2 ARG 22 1HB ARG 22 -2.559 12.378 -2.421 135 HB3 ARG 22 2HB ARG 22 -2.702 11.396 -3.872 136 HG2 ARG 22 1HG ARG 22 -3.112 13.470 -4.729 137 HG3 ARG 22 2HG ARG 22 -4.756 12.957 -4.344 138 HD2 ARG 22 1HD ARG 22 -4.363 15.239 -3.596 139 HD3 ARG 22 2HD ARG 22 -4.637 14.167 -2.223 140 HE ARG 22 HE ARG 22 -2.488 14.564 -1.520 141 HH11 ARG 22 1HH1 ARG 22 -2.874 15.714 -4.783 142 HH12 ARG 22 2HH1 ARG 22 -1.342 16.523 -4.817 143 HH21 ARG 22 1HH2 ARG 22 -0.470 15.626 -1.552 144 HH22 ARG 22 2HH2 ARG 22 0.025 16.472 -2.980 145 H HIS 23 H HIS 23 -3.879 9.516 -4.362 146 HA HIS 23 HA HIS 23 -6.630 9.670 -5.408 147 HB2 HIS 23 1HB HIS 23 -3.977 9.505 -6.763 148 HB3 HIS 23 2HB HIS 23 -5.350 8.711 -7.529 149 HD2 HIS 23 HD2 HIS 23 -6.269 12.010 -5.793 150 HE1 HIS 23 HE1 HIS 23 -5.869 12.828 -9.937 151 HE2 HIS 23 HE2 HIS 23 -6.547 13.745 -7.691 152 H LEU 24 H LEU 24 -7.264 7.645 -6.652 153 HA LEU 24 HA LEU 24 -6.943 5.394 -4.890 154 HB2 LEU 24 1HB LEU 24 -9.088 6.023 -6.005 155 HB3 LEU 24 2HB LEU 24 -8.377 5.519 -7.537 156 HG LEU 24 HG LEU 24 -9.871 3.813 -6.651 157 HD11 LEU 24 1HD1 LEU 24 -8.488 1.976 -7.027 158 HD12 LEU 24 2HD1 LEU 24 -7.083 2.766 -6.312 159 HD13 LEU 24 3HD1 LEU 24 -7.684 3.291 -7.885 160 HD21 LEU 24 3HD2 LEU 24 -8.409 2.740 -4.508 161 HD22 LEU 24 1HD2 LEU 24 -10.006 3.488 -4.460 162 HD23 LEU 24 2HD2 LEU 24 -8.565 4.467 -4.184 163 H GLN 25 H GLN 25 -6.477 5.778 -8.410 164 HA GLN 25 HA GLN 25 -5.333 3.493 -9.153 165 HB2 GLN 25 1HB GLN 25 -3.840 4.776 -10.684 166 HB3 GLN 25 2HB GLN 25 -5.514 5.314 -10.711 167 HG2 GLN 25 1HG GLN 25 -5.014 7.254 -9.466 168 HG3 GLN 25 2HG GLN 25 -3.411 6.656 -9.043 169 HE21 GLN 25 1HE2 GLN 25 -1.762 7.287 -10.249 170 HE22 GLN 25 2HE2 GLN 25 -1.875 8.039 -11.801 171 H THR 26 H THR 26 -3.768 5.919 -7.146 172 HA THR 26 HA THR 26 -1.210 4.646 -7.130 173 HB THR 26 HB THR 26 -2.343 6.668 -5.186 174 HG1 THR 26 HG1 THR 26 -1.946 7.068 -7.652 175 HG21 THR 26 3HG2 THR 26 0.475 6.847 -5.496 176 HG22 THR 26 1HG2 THR 26 0.074 5.168 -5.139 177 HG23 THR 26 2HG2 THR 26 -0.444 6.451 -4.045 178 H LEU 27 H LEU 27 -3.873 4.837 -4.775 179 HA LEU 27 HA LEU 27 -2.814 3.397 -2.699 180 HB2 LEU 27 1HB LEU 27 -4.940 4.397 -2.437 181 HB3 LEU 27 2HB LEU 27 -5.614 3.483 -3.785 182 HG LEU 27 HG LEU 27 -5.570 1.449 -2.474 183 HD11 LEU 27 1HD1 LEU 27 -4.342 3.157 -0.316 184 HD12 LEU 27 2HD1 LEU 27 -3.571 1.823 -1.174 185 HD13 LEU 27 3HD1 LEU 27 -4.930 1.509 -0.095 186 HD21 LEU 27 3HD2 LEU 27 -6.868 2.737 -0.375 187 HD22 LEU 27 1HD2 LEU 27 -7.595 2.130 -1.863 188 HD23 LEU 27 2HD2 LEU 27 -7.068 3.810 -1.761 189 H LYS 28 H LYS 28 -4.411 2.119 -5.596 190 HA LYS 28 HA LYS 28 -4.413 -0.579 -4.947 191 HB2 LYS 28 1HB LYS 28 -4.227 0.879 -7.569 192 HB3 LYS 28 2HB LYS 28 -4.197 -0.879 -7.510 193 HG2 LYS 28 1HG LYS 28 -6.379 -1.017 -6.731 194 HG3 LYS 28 2HG LYS 28 -6.388 0.656 -6.170 195 HD2 LYS 28 1HD LYS 28 -6.640 1.504 -8.328 196 HD3 LYS 28 2HD LYS 28 -6.079 0.009 -9.082 197 HE2 LYS 28 1HE LYS 28 -8.578 0.021 -7.438 198 HE3 LYS 28 2HE LYS 28 -8.614 0.601 -9.102 199 HZ1 LYS 28 3HZ LYS 28 -7.896 -1.499 -9.889 200 HZ2 LYS 28 1HZ LYS 28 -9.159 -1.800 -8.804 201 HZ3 LYS 28 2HZ LYS 28 -7.556 -2.059 -8.329 202 H SER 29 H SER 29 -1.794 1.476 -5.953 203 HA SER 29 HA SER 29 -0.006 -0.719 -6.533 204 HB2 SER 29 1HB SER 29 0.600 2.233 -6.230 205 HB3 SER 29 2HB SER 29 1.674 1.014 -6.918 206 HG SER 29 HG SER 29 0.227 2.402 -8.352 207 H HIS 30 H HIS 30 -0.966 1.080 -3.786 208 HA HIS 30 HA HIS 30 1.430 0.693 -2.255 209 HB2 HIS 30 1HB HIS 30 0.277 2.511 -1.444 210 HB3 HIS 30 2HB HIS 30 -1.298 1.776 -1.730 211 HD1 HIS 30 HD1 HIS 30 1.642 1.344 0.645 212 HD2 HIS 30 HD2 HIS 30 -2.482 0.853 0.523 213 HE1 HIS 30 HE1 HIS 30 0.974 0.682 2.978 214 H LEU 31 H LEU 31 -1.362 -1.178 -2.974 215 HA LEU 31 HA LEU 31 -1.249 -2.873 -0.668 216 HB2 LEU 31 1HB LEU 31 -2.488 -3.738 -3.238 217 HB3 LEU 31 2HB LEU 31 -3.024 -4.021 -1.583 218 HG LEU 31 HG LEU 31 -3.371 -1.552 -3.261 219 HD11 LEU 31 1HD1 LEU 31 -5.120 -3.654 -2.103 220 HD12 LEU 31 2HD1 LEU 31 -5.200 -2.848 -3.669 221 HD13 LEU 31 3HD1 LEU 31 -5.753 -2.011 -2.218 222 HD21 LEU 31 3HD2 LEU 31 -3.657 -1.861 -0.280 223 HD22 LEU 31 1HD2 LEU 31 -4.418 -0.565 -1.203 224 HD23 LEU 31 2HD2 LEU 31 -2.660 -0.701 -1.159 225 H ARG 32 H ARG 32 0.820 -2.517 -3.188 226 HA ARG 32 HA ARG 32 1.379 -5.231 -3.856 227 HB2 ARG 32 1HB ARG 32 2.672 -2.594 -4.352 228 HB3 ARG 32 2HB ARG 32 3.655 -4.038 -4.548 229 HG2 ARG 32 1HG ARG 32 2.696 -3.359 -6.664 230 HG3 ARG 32 2HG ARG 32 2.039 -4.917 -6.160 231 HD2 ARG 32 1HD ARG 32 -0.029 -3.990 -5.586 232 HD3 ARG 32 2HD ARG 32 0.622 -2.352 -5.525 233 HE ARG 32 HE ARG 32 -0.476 -3.636 -7.786 234 HH11 ARG 32 1HH1 ARG 32 2.133 -1.529 -6.851 235 HH12 ARG 32 2HH1 ARG 32 2.239 -0.758 -8.399 236 HH21 ARG 32 1HH2 ARG 32 -0.347 -2.628 -9.828 237 HH22 ARG 32 2HH2 ARG 32 0.827 -1.383 -10.091 238 H ILE 33 H ILE 33 2.414 -3.061 -1.342 239 HA ILE 33 HA ILE 33 4.633 -4.733 -0.531 240 HB ILE 33 HB ILE 33 5.093 -3.133 1.142 241 HG12 ILE 33 1HG1 ILE 33 2.375 -1.900 0.654 242 HG13 ILE 33 2HG1 ILE 33 2.738 -2.995 1.983 243 HG21 ILE 33 1HG2 ILE 33 4.363 -0.932 -0.374 244 HG22 ILE 33 2HG2 ILE 33 5.852 -1.864 -0.521 245 HG23 ILE 33 3HG2 ILE 33 4.467 -2.249 -1.542 246 HD11 ILE 33 3HD1 ILE 33 4.146 -0.378 1.533 247 HD12 ILE 33 1HD1 ILE 33 2.750 -0.587 2.590 248 HD13 ILE 33 2HD1 ILE 33 4.259 -1.431 2.943 249 H HIS 34 H HIS 34 1.295 -4.681 -0.024 250 HA HIS 34 HA HIS 34 1.368 -5.837 2.631 251 HB2 HIS 34 1HB HIS 34 -0.836 -5.152 0.701 252 HB3 HIS 34 2HB HIS 34 -1.153 -6.115 2.141 253 HD1 HIS 34 HD1 HIS 34 0.296 -4.705 4.312 254 HD2 HIS 34 HD2 HIS 34 -1.652 -2.648 1.273 255 HE1 HIS 34 HE1 HIS 34 -0.159 -2.412 5.238 256 H THR 35 H THR 35 0.487 -6.892 -0.646 257 HA THR 35 HA THR 35 0.587 -9.680 0.292 258 HB THR 35 HB THR 35 -1.544 -9.153 -0.710 259 HG1 THR 35 HG1 THR 35 0.118 -11.022 -1.643 260 HG21 THR 35 3HG2 THR 35 -0.848 -7.226 -2.055 261 HG22 THR 35 1HG2 THR 35 -1.740 -8.394 -3.028 262 HG23 THR 35 2HG2 THR 35 0.017 -8.302 -3.153 263 H GLY 36 H GLY 36 2.073 -11.061 -0.496 264 HA2 GLY 36 1HA GLY 36 3.433 -11.862 -2.337 265 HA3 GLY 36 2HA GLY 36 3.673 -10.188 -2.815 266 H SER 37 H SER 37 5.680 -12.224 -2.307 267 HA SER 37 HA SER 37 6.909 -11.559 0.217 268 HB2 SER 37 1HB SER 37 7.097 -13.828 -0.786 269 HB3 SER 37 2HB SER 37 8.044 -13.138 -2.104 270 HG SER 37 HG SER 37 9.472 -12.353 -0.352 271 H GLY 38 H GLY 38 7.608 -10.970 -3.218 272 HA2 GLY 38 1HA GLY 38 8.468 -8.904 -4.019 273 HA3 GLY 38 2HA GLY 38 9.122 -8.587 -2.419 274 HA PRO 39 HA PRO 39 12.672 -9.853 -5.058 275 HB2 PRO 39 1HB PRO 39 14.401 -8.072 -3.958 276 HB3 PRO 39 2HB PRO 39 13.309 -7.657 -5.285 277 HG2 PRO 39 1HG PRO 39 13.013 -7.131 -2.353 278 HG3 PRO 39 2HG PRO 39 12.675 -6.056 -3.722 279 HD2 PRO 39 1HD PRO 39 10.725 -7.403 -2.411 280 HD3 PRO 39 2HD PRO 39 10.629 -7.031 -4.145 281 H SER 40 H SER 40 14.258 -11.271 -4.510 282 HA SER 40 HA SER 40 14.199 -12.551 -2.020 283 HB2 SER 40 1HB SER 40 16.244 -13.720 -2.792 284 HB3 SER 40 2HB SER 40 14.991 -13.684 -4.032 285 HG SER 40 HG SER 40 16.100 -11.960 -5.013 286 H SER 41 H SER 41 14.564 -11.291 -0.260 287 HA SER 41 HA SER 41 16.152 -9.179 0.182 288 HB2 SER 41 1HB SER 41 15.636 -11.549 1.969 289 HB3 SER 41 2HB SER 41 16.576 -10.165 2.525 290 HG SER 41 HG SER 41 13.859 -10.313 1.828 291 H GLY 42 H GLY 42 18.296 -8.787 0.908 292 HA2 GLY 42 1HA GLY 42 20.377 -10.425 1.371 293 HA3 GLY 42 2HA GLY 42 20.235 -10.517 -0.378 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -16.434 22.809 16.674 2 HA2 GLY 1 1HA GLY 1 -13.781 22.740 16.622 3 HA3 GLY 1 2HA GLY 1 -14.139 21.077 16.180 4 H SER 2 H SER 2 -12.750 22.226 14.345 5 HA SER 2 HA SER 2 -14.644 23.257 12.337 6 HB2 SER 2 1HB SER 2 -12.627 24.690 13.106 7 HB3 SER 2 2HB SER 2 -11.656 23.572 12.147 8 HG SER 2 HG SER 2 -13.914 24.620 10.918 9 H SER 3 H SER 3 -14.739 22.325 10.333 10 HA SER 3 HA SER 3 -12.848 20.360 9.454 11 HB2 SER 3 1HB SER 3 -14.269 18.419 9.494 12 HB3 SER 3 2HB SER 3 -14.231 19.086 11.126 13 HG SER 3 HG SER 3 -16.323 19.066 10.944 14 H GLY 4 H GLY 4 -13.527 19.374 7.351 15 HA2 GLY 4 1HA GLY 4 -14.979 19.436 5.429 16 HA3 GLY 4 2HA GLY 4 -15.501 21.037 5.931 17 H SER 5 H SER 5 -12.324 19.523 5.355 18 HA SER 5 HA SER 5 -11.695 21.793 3.583 19 HB2 SER 5 1HB SER 5 -10.020 20.312 5.586 20 HB3 SER 5 2HB SER 5 -9.252 21.106 4.211 21 HG SER 5 HG SER 5 -10.289 22.190 6.475 22 H SER 6 H SER 6 -13.011 19.597 2.551 23 HA SER 6 HA SER 6 -11.519 17.489 1.581 24 HB2 SER 6 1HB SER 6 -14.029 17.911 1.331 25 HB3 SER 6 2HB SER 6 -13.617 18.890 -0.077 26 HG SER 6 HG SER 6 -13.915 16.279 0.027 27 H GLY 7 H GLY 7 -10.421 17.091 -0.381 28 HA2 GLY 7 1HA GLY 7 -9.586 17.895 -2.515 29 HA3 GLY 7 2HA GLY 7 -9.527 19.508 -1.819 30 H GLY 8 H GLY 8 -7.636 17.059 -2.815 31 HA2 GLY 8 1HA GLY 8 -5.310 16.946 -2.658 32 HA3 GLY 8 2HA GLY 8 -5.372 18.055 -1.297 33 H GLU 9 H GLU 9 -7.209 16.625 0.309 34 HA GLU 9 HA GLU 9 -5.515 14.972 1.755 35 HB2 GLU 9 1HB GLU 9 -7.487 14.243 2.978 36 HB3 GLU 9 2HB GLU 9 -7.572 15.971 2.666 37 HG2 GLU 9 1HG GLU 9 -9.153 15.633 0.896 38 HG3 GLU 9 2HG GLU 9 -8.978 13.883 1.018 39 H LYS 10 H LYS 10 -6.491 12.594 2.323 40 HA LYS 10 HA LYS 10 -6.348 11.131 -0.226 41 HB2 LYS 10 1HB LYS 10 -5.602 10.244 2.567 42 HB3 LYS 10 2HB LYS 10 -5.520 9.228 1.134 43 HG2 LYS 10 1HG LYS 10 -3.358 9.901 1.225 44 HG3 LYS 10 2HG LYS 10 -4.016 11.222 0.257 45 HD2 LYS 10 1HD LYS 10 -4.435 12.314 2.608 46 HD3 LYS 10 2HD LYS 10 -3.165 11.198 3.117 47 HE2 LYS 10 1HE LYS 10 -2.005 13.141 2.558 48 HE3 LYS 10 2HE LYS 10 -1.834 12.126 1.127 49 HZ1 LYS 10 3HZ LYS 10 -2.858 14.699 1.261 50 HZ2 LYS 10 1HZ LYS 10 -4.172 13.691 0.916 51 HZ3 LYS 10 2HZ LYS 10 -2.812 13.679 -0.088 52 HA PRO 11 HA PRO 11 -10.652 10.417 1.283 53 HB2 PRO 11 1HB PRO 11 -11.762 10.476 -1.194 54 HB3 PRO 11 2HB PRO 11 -11.470 11.933 -0.237 55 HG2 PRO 11 1HG PRO 11 -9.843 10.774 -2.466 56 HG3 PRO 11 2HG PRO 11 -10.277 12.466 -2.160 57 HD2 PRO 11 1HD PRO 11 -7.850 11.447 -1.524 58 HD3 PRO 11 2HD PRO 11 -8.622 12.736 -0.579 59 H TYR 12 H TYR 12 -8.318 8.704 -0.276 60 HA TYR 12 HA TYR 12 -10.086 6.380 -0.676 61 HB2 TYR 12 1HB TYR 12 -7.492 7.058 -2.076 62 HB3 TYR 12 2HB TYR 12 -8.364 5.541 -2.271 63 HD1 TYR 12 HD1 TYR 12 -8.542 9.189 -2.858 64 HD2 TYR 12 HD2 TYR 12 -10.236 5.382 -3.721 65 HE1 TYR 12 HE1 TYR 12 -9.885 10.200 -4.654 66 HE2 TYR 12 HE2 TYR 12 -11.582 6.382 -5.520 67 HH TYR 12 HH TYR 12 -11.877 9.779 -5.923 68 HA PRO 13 HA PRO 13 -7.414 5.308 2.899 69 HB2 PRO 13 1HB PRO 13 -9.301 3.780 4.113 70 HB3 PRO 13 2HB PRO 13 -9.219 5.536 4.302 71 HG2 PRO 13 1HG PRO 13 -10.980 3.904 2.514 72 HG3 PRO 13 2HG PRO 13 -11.392 5.316 3.505 73 HD2 PRO 13 1HD PRO 13 -10.952 5.486 0.839 74 HD3 PRO 13 2HD PRO 13 -10.552 6.804 1.959 75 H CYS 14 H CYS 14 -6.389 3.362 3.396 76 HA CYS 14 HA CYS 14 -6.407 1.399 1.296 77 HB2 CYS 14 1HB CYS 14 -4.277 1.959 2.222 78 HB3 CYS 14 2HB CYS 14 -4.839 1.651 3.862 79 H GLU 15 H GLU 15 -6.536 -0.940 1.755 80 HA GLU 15 HA GLU 15 -8.765 -1.473 3.583 81 HB2 GLU 15 1HB GLU 15 -9.387 -2.256 1.491 82 HB3 GLU 15 2HB GLU 15 -7.758 -2.781 1.089 83 HG2 GLU 15 1HG GLU 15 -7.972 -4.771 2.193 84 HG3 GLU 15 2HG GLU 15 -9.186 -4.147 3.309 85 H ILE 16 H ILE 16 -5.512 -2.555 2.761 86 HA ILE 16 HA ILE 16 -5.407 -4.739 4.548 87 HB ILE 16 HB ILE 16 -3.129 -3.049 3.509 88 HG12 ILE 16 1HG1 ILE 16 -2.989 -5.304 2.072 89 HG13 ILE 16 2HG1 ILE 16 -4.724 -5.286 2.366 90 HG21 ILE 16 1HG2 ILE 16 -2.110 -5.529 3.893 91 HG22 ILE 16 2HG2 ILE 16 -1.986 -4.211 5.057 92 HG23 ILE 16 3HG2 ILE 16 -3.253 -5.425 5.231 93 HD11 ILE 16 3HD1 ILE 16 -4.941 -3.903 0.660 94 HD12 ILE 16 1HD1 ILE 16 -4.042 -2.688 1.569 95 HD13 ILE 16 2HD1 ILE 16 -3.191 -3.786 0.482 96 H CYS 17 H CYS 17 -3.529 -1.732 4.877 97 HA CYS 17 HA CYS 17 -3.594 -2.044 7.774 98 HB2 CYS 17 1HB CYS 17 -1.930 -0.196 7.761 99 HB3 CYS 17 2HB CYS 17 -1.431 -1.580 6.793 100 H GLY 18 H GLY 18 -4.364 0.441 5.343 101 HA2 GLY 18 1HA GLY 18 -6.670 1.432 5.849 102 HA3 GLY 18 2HA GLY 18 -5.945 1.845 7.396 103 H THR 19 H THR 19 -3.340 2.309 5.871 104 HA THR 19 HA THR 19 -3.252 5.016 5.818 105 HB THR 19 HB THR 19 -1.799 3.054 4.051 106 HG1 THR 19 HG1 THR 19 -1.518 3.572 6.523 107 HG21 THR 19 3HG2 THR 19 -1.690 6.040 4.072 108 HG22 THR 19 1HG2 THR 19 -1.586 4.923 2.712 109 HG23 THR 19 2HG2 THR 19 -0.209 5.123 3.796 110 H ARG 20 H ARG 20 -3.994 6.642 4.594 111 HA ARG 20 HA ARG 20 -5.636 5.958 2.273 112 HB2 ARG 20 1HB ARG 20 -5.388 8.612 3.696 113 HB3 ARG 20 2HB ARG 20 -6.599 8.167 2.501 114 HG2 ARG 20 1HG ARG 20 -7.813 6.938 3.980 115 HG3 ARG 20 2HG ARG 20 -6.402 6.505 4.948 116 HD2 ARG 20 1HD ARG 20 -6.448 8.475 6.138 117 HD3 ARG 20 2HD ARG 20 -7.287 9.351 4.858 118 HE ARG 20 HE ARG 20 -9.298 8.636 5.717 119 HH11 ARG 20 1HH1 ARG 20 -6.686 6.897 7.224 120 HH12 ARG 20 2HH1 ARG 20 -7.689 6.187 8.445 121 HH21 ARG 20 1HH2 ARG 20 -10.630 7.707 7.319 122 HH22 ARG 20 2HH2 ARG 20 -9.933 6.648 8.497 123 H PHE 21 H PHE 21 -5.360 6.898 0.252 124 HA PHE 21 HA PHE 21 -2.799 8.297 -0.158 125 HB2 PHE 21 1HB PHE 21 -4.090 6.133 -1.816 126 HB3 PHE 21 2HB PHE 21 -2.827 7.182 -2.455 127 HD1 PHE 21 HD2 PHE 21 -3.546 4.823 0.325 128 HD2 PHE 21 HD1 PHE 21 -0.597 6.634 -2.152 129 HE1 PHE 21 HE2 PHE 21 -1.836 3.334 1.279 130 HE2 PHE 21 HE1 PHE 21 1.118 5.148 -1.202 131 HZ PHE 21 HZ PHE 21 0.500 3.496 0.516 132 H ARG 22 H ARG 22 -2.839 10.126 -1.337 133 HA ARG 22 HA ARG 22 -4.959 11.726 -1.664 134 HB2 ARG 22 1HB ARG 22 -2.610 12.333 -2.211 135 HB3 ARG 22 2HB ARG 22 -2.775 11.475 -3.738 136 HG2 ARG 22 1HG ARG 22 -4.751 13.047 -4.182 137 HG3 ARG 22 2HG ARG 22 -4.095 14.014 -2.860 138 HD2 ARG 22 1HD ARG 22 -1.854 13.693 -4.239 139 HD3 ARG 22 2HD ARG 22 -2.994 13.491 -5.569 140 HE ARG 22 HE ARG 22 -3.843 15.758 -4.359 141 HH11 ARG 22 1HH1 ARG 22 -0.755 14.695 -5.566 142 HH12 ARG 22 2HH1 ARG 22 -0.216 16.292 -5.966 143 HH21 ARG 22 1HH2 ARG 22 -3.144 17.865 -4.881 144 HH22 ARG 22 2HH2 ARG 22 -1.575 18.095 -5.575 145 H HIS 23 H HIS 23 -3.815 9.592 -4.287 146 HA HIS 23 HA HIS 23 -6.505 9.749 -5.470 147 HB2 HIS 23 1HB HIS 23 -3.774 9.464 -6.632 148 HB3 HIS 23 2HB HIS 23 -5.116 8.700 -7.478 149 HD2 HIS 23 HD2 HIS 23 -5.585 12.211 -5.819 150 HE1 HIS 23 HE1 HIS 23 -5.659 12.670 -10.036 151 HE2 HIS 23 HE2 HIS 23 -5.906 13.828 -7.813 152 H LEU 24 H LEU 24 -7.045 7.701 -6.788 153 HA LEU 24 HA LEU 24 -6.885 5.465 -4.949 154 HB2 LEU 24 1HB LEU 24 -9.017 6.115 -6.004 155 HB3 LEU 24 2HB LEU 24 -8.336 5.714 -7.580 156 HG LEU 24 HG LEU 24 -9.826 3.959 -6.806 157 HD11 LEU 24 1HD1 LEU 24 -8.467 2.153 -7.333 158 HD12 LEU 24 2HD1 LEU 24 -7.060 2.849 -6.529 159 HD13 LEU 24 3HD1 LEU 24 -7.619 3.517 -8.062 160 HD21 LEU 24 3HD2 LEU 24 -8.463 4.415 -4.308 161 HD22 LEU 24 1HD2 LEU 24 -8.414 2.709 -4.752 162 HD23 LEU 24 2HD2 LEU 24 -9.963 3.543 -4.628 163 H GLN 25 H GLN 25 -6.430 5.799 -8.475 164 HA GLN 25 HA GLN 25 -5.344 3.457 -9.167 165 HB2 GLN 25 1HB GLN 25 -3.890 4.664 -10.787 166 HB3 GLN 25 2HB GLN 25 -5.554 5.233 -10.779 167 HG2 GLN 25 1HG GLN 25 -4.999 7.230 -9.731 168 HG3 GLN 25 2HG GLN 25 -3.458 6.605 -9.147 169 HE21 GLN 25 1HE2 GLN 25 -2.446 8.456 -10.030 170 HE22 GLN 25 2HE2 GLN 25 -2.123 8.569 -11.723 171 H THR 26 H THR 26 -3.815 5.840 -7.134 172 HA THR 26 HA THR 26 -1.224 4.592 -7.187 173 HB THR 26 HB THR 26 -2.319 6.662 -5.272 174 HG1 THR 26 HG1 THR 26 -1.472 6.807 -7.854 175 HG21 THR 26 3HG2 THR 26 0.489 6.834 -5.604 176 HG22 THR 26 1HG2 THR 26 0.102 5.153 -5.242 177 HG23 THR 26 2HG2 THR 26 -0.413 6.433 -4.144 178 H LEU 27 H LEU 27 -3.894 4.790 -4.850 179 HA LEU 27 HA LEU 27 -2.796 3.404 -2.739 180 HB2 LEU 27 1HB LEU 27 -4.900 4.393 -2.421 181 HB3 LEU 27 2HB LEU 27 -5.601 3.539 -3.795 182 HG LEU 27 HG LEU 27 -5.573 1.456 -2.543 183 HD11 LEU 27 1HD1 LEU 27 -3.553 1.927 -1.210 184 HD12 LEU 27 2HD1 LEU 27 -4.902 1.361 -0.227 185 HD13 LEU 27 3HD1 LEU 27 -4.483 3.073 -0.245 186 HD21 LEU 27 3HD2 LEU 27 -7.603 2.129 -1.940 187 HD22 LEU 27 1HD2 LEU 27 -7.074 3.806 -1.811 188 HD23 LEU 27 2HD2 LEU 27 -6.894 2.717 -0.435 189 H LYS 28 H LYS 28 -4.381 2.097 -5.624 190 HA LYS 28 HA LYS 28 -4.410 -0.595 -4.922 191 HB2 LYS 28 1HB LYS 28 -4.247 0.831 -7.561 192 HB3 LYS 28 2HB LYS 28 -4.193 -0.926 -7.489 193 HG2 LYS 28 1HG LYS 28 -6.366 -1.058 -6.591 194 HG3 LYS 28 2HG LYS 28 -6.401 0.668 -6.223 195 HD2 LYS 28 1HD LYS 28 -6.718 1.264 -8.442 196 HD3 LYS 28 2HD LYS 28 -6.062 -0.258 -9.049 197 HE2 LYS 28 1HE LYS 28 -8.072 -1.392 -8.034 198 HE3 LYS 28 2HE LYS 28 -8.737 0.216 -7.748 199 HZ1 LYS 28 3HZ LYS 28 -9.601 -0.624 -9.793 200 HZ2 LYS 28 1HZ LYS 28 -8.054 -0.986 -10.375 201 HZ3 LYS 28 2HZ LYS 28 -8.522 0.625 -10.163 202 H SER 29 H SER 29 -1.805 1.407 -6.135 203 HA SER 29 HA SER 29 -0.030 -0.802 -6.627 204 HB2 SER 29 1HB SER 29 0.028 1.470 -7.799 205 HB3 SER 29 2HB SER 29 0.775 2.092 -6.327 206 HG SER 29 HG SER 29 2.298 1.406 -7.936 207 H HIS 30 H HIS 30 -0.971 1.017 -3.903 208 HA HIS 30 HA HIS 30 1.453 0.695 -2.398 209 HB2 HIS 30 1HB HIS 30 0.292 2.506 -1.590 210 HB3 HIS 30 2HB HIS 30 -1.278 1.758 -1.863 211 HD1 HIS 30 HD1 HIS 30 1.685 1.249 0.477 212 HD2 HIS 30 HD2 HIS 30 -2.460 0.971 0.433 213 HE1 HIS 30 HE1 HIS 30 1.028 0.638 2.826 214 H LEU 31 H LEU 31 -1.394 -1.179 -2.977 215 HA LEU 31 HA LEU 31 -1.182 -2.853 -0.672 216 HB2 LEU 31 1HB LEU 31 -2.496 -3.785 -3.174 217 HB3 LEU 31 2HB LEU 31 -2.994 -3.996 -1.497 218 HG LEU 31 HG LEU 31 -3.344 -1.573 -3.247 219 HD11 LEU 31 1HD1 LEU 31 -5.332 -2.495 -3.590 220 HD12 LEU 31 2HD1 LEU 31 -5.683 -2.255 -1.878 221 HD13 LEU 31 3HD1 LEU 31 -4.996 -3.782 -2.432 222 HD21 LEU 31 3HD2 LEU 31 -3.520 -1.835 -0.262 223 HD22 LEU 31 1HD2 LEU 31 -4.460 -0.632 -1.145 224 HD23 LEU 31 2HD2 LEU 31 -2.698 -0.603 -1.220 225 H ARG 32 H ARG 32 0.847 -2.513 -3.200 226 HA ARG 32 HA ARG 32 1.379 -5.227 -3.897 227 HB2 ARG 32 1HB ARG 32 2.803 -2.621 -4.317 228 HB3 ARG 32 2HB ARG 32 3.609 -4.137 -4.694 229 HG2 ARG 32 1HG ARG 32 2.480 -3.020 -6.624 230 HG3 ARG 32 2HG ARG 32 1.989 -4.691 -6.336 231 HD2 ARG 32 1HD ARG 32 0.427 -2.507 -5.052 232 HD3 ARG 32 2HD ARG 32 0.217 -2.785 -6.781 233 HE ARG 32 HE ARG 32 -0.706 -4.452 -4.635 234 HH11 ARG 32 1HH1 ARG 32 0.242 -4.376 -7.983 235 HH12 ARG 32 2HH1 ARG 32 -0.676 -5.781 -8.411 236 HH21 ARG 32 1HH2 ARG 32 -1.920 -6.303 -5.185 237 HH22 ARG 32 2HH2 ARG 32 -1.907 -6.876 -6.818 238 H ILE 33 H ILE 33 2.402 -3.111 -1.346 239 HA ILE 33 HA ILE 33 4.632 -4.800 -0.577 240 HB ILE 33 HB ILE 33 5.097 -3.219 1.134 241 HG12 ILE 33 1HG1 ILE 33 2.467 -1.850 0.554 242 HG13 ILE 33 2HG1 ILE 33 2.682 -3.013 1.858 243 HG21 ILE 33 1HG2 ILE 33 4.634 -0.988 -0.319 244 HG22 ILE 33 2HG2 ILE 33 5.937 -2.130 -0.647 245 HG23 ILE 33 3HG2 ILE 33 4.428 -2.231 -1.553 246 HD11 ILE 33 3HD1 ILE 33 3.164 -1.238 3.107 247 HD12 ILE 33 1HD1 ILE 33 4.729 -1.257 2.295 248 HD13 ILE 33 2HD1 ILE 33 3.440 -0.209 1.702 249 H HIS 34 H HIS 34 1.293 -4.657 -0.006 250 HA HIS 34 HA HIS 34 1.365 -5.827 2.635 251 HB2 HIS 34 1HB HIS 34 -0.842 -5.164 0.698 252 HB3 HIS 34 2HB HIS 34 -1.154 -6.092 2.162 253 HD1 HIS 34 HD1 HIS 34 0.379 -4.613 4.262 254 HD2 HIS 34 HD2 HIS 34 -1.714 -2.668 1.245 255 HE1 HIS 34 HE1 HIS 34 -0.080 -2.302 5.144 256 H THR 35 H THR 35 0.592 -6.899 -0.655 257 HA THR 35 HA THR 35 0.508 -9.675 0.304 258 HB THR 35 HB THR 35 -1.431 -9.347 -0.935 259 HG1 THR 35 HG1 THR 35 -1.009 -10.440 -2.972 260 HG21 THR 35 3HG2 THR 35 -1.411 -8.208 -3.183 261 HG22 THR 35 1HG2 THR 35 0.248 -7.720 -2.839 262 HG23 THR 35 2HG2 THR 35 -1.068 -7.159 -1.808 263 H GLY 36 H GLY 36 2.003 -11.144 -0.295 264 HA2 GLY 36 1HA GLY 36 3.547 -12.022 -1.947 265 HA3 GLY 36 2HA GLY 36 3.937 -10.364 -2.382 266 H SER 37 H SER 37 6.077 -11.754 -2.007 267 HA SER 37 HA SER 37 7.958 -12.119 -0.764 268 HB2 SER 37 1HB SER 37 6.974 -9.507 0.398 269 HB3 SER 37 2HB SER 37 8.558 -10.194 0.755 270 HG SER 37 HG SER 37 7.750 -9.850 -1.914 271 H GLY 38 H GLY 38 5.778 -13.595 0.159 272 HA2 GLY 38 1HA GLY 38 5.952 -15.084 2.067 273 HA3 GLY 38 2HA GLY 38 6.389 -13.691 3.044 274 HA PRO 39 HA PRO 39 1.644 -14.542 2.765 275 HB2 PRO 39 1HB PRO 39 1.294 -16.415 4.699 276 HB3 PRO 39 2HB PRO 39 1.549 -16.826 2.999 277 HG2 PRO 39 1HG PRO 39 3.513 -16.808 5.258 278 HG3 PRO 39 2HG PRO 39 3.302 -18.006 3.968 279 HD2 PRO 39 1HD PRO 39 5.249 -16.125 3.905 280 HD3 PRO 39 2HD PRO 39 4.473 -16.746 2.434 281 H SER 40 H SER 40 1.722 -12.420 3.660 282 HA SER 40 HA SER 40 1.863 -12.302 6.596 283 HB2 SER 40 1HB SER 40 2.155 -9.847 6.276 284 HB3 SER 40 2HB SER 40 3.430 -10.796 5.513 285 HG SER 40 HG SER 40 2.273 -10.555 3.529 286 H SER 41 H SER 41 0.144 -11.670 7.782 287 HA SER 41 HA SER 41 -2.386 -11.327 6.357 288 HB2 SER 41 1HB SER 41 -2.002 -13.018 8.279 289 HB3 SER 41 2HB SER 41 -2.108 -11.614 9.340 290 HG SER 41 HG SER 41 -4.096 -12.056 7.406 291 H GLY 42 H GLY 42 -2.410 -9.196 5.735 292 HA2 GLY 42 1HA GLY 42 -3.428 -7.108 6.452 293 HA3 GLY 42 2HA GLY 42 -2.517 -7.247 7.948 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.896 31.357 8.495 2 HA2 GLY 1 1HA GLY 1 -4.477 32.031 7.222 3 HA3 GLY 1 2HA GLY 1 -3.608 30.549 6.854 4 H SER 2 H SER 2 -6.295 31.323 8.178 5 HA SER 2 HA SER 2 -6.087 30.193 10.815 6 HB2 SER 2 1HB SER 2 -8.439 30.578 10.994 7 HB3 SER 2 2HB SER 2 -7.771 31.953 10.114 8 HG SER 2 HG SER 2 -8.959 31.428 8.471 9 H SER 3 H SER 3 -6.433 28.144 11.442 10 HA SER 3 HA SER 3 -6.383 25.859 11.146 11 HB2 SER 3 1HB SER 3 -9.043 26.717 9.998 12 HB3 SER 3 2HB SER 3 -8.625 25.029 10.290 13 HG SER 3 HG SER 3 -8.430 25.481 12.472 14 H GLY 4 H GLY 4 -4.850 27.034 9.158 15 HA2 GLY 4 1HA GLY 4 -5.566 26.267 6.533 16 HA3 GLY 4 2HA GLY 4 -3.940 26.634 7.088 17 H SER 5 H SER 5 -2.516 25.023 7.125 18 HA SER 5 HA SER 5 -1.637 22.943 6.803 19 HB2 SER 5 1HB SER 5 -2.598 22.848 9.174 20 HB3 SER 5 2HB SER 5 -3.934 21.932 8.478 21 HG SER 5 HG SER 5 -1.925 20.705 7.541 22 H SER 6 H SER 6 -3.229 23.731 4.697 23 HA SER 6 HA SER 6 -4.592 21.232 3.934 24 HB2 SER 6 1HB SER 6 -5.243 24.100 3.386 25 HB3 SER 6 2HB SER 6 -5.689 22.884 2.189 26 HG SER 6 HG SER 6 -7.038 21.950 3.615 27 H GLY 7 H GLY 7 -4.340 20.494 1.774 28 HA2 GLY 7 1HA GLY 7 -3.131 21.399 -0.390 29 HA3 GLY 7 2HA GLY 7 -1.733 21.209 0.659 30 H GLY 8 H GLY 8 -4.640 19.250 -0.024 31 HA2 GLY 8 1HA GLY 8 -4.236 17.253 -1.482 32 HA3 GLY 8 2HA GLY 8 -2.822 16.965 -0.479 33 H GLU 9 H GLU 9 -5.757 15.805 -1.052 34 HA GLU 9 HA GLU 9 -6.184 15.024 1.757 35 HB2 GLU 9 1HB GLU 9 -8.122 15.854 -0.351 36 HB3 GLU 9 2HB GLU 9 -8.623 14.614 0.790 37 HG2 GLU 9 1HG GLU 9 -7.557 17.307 1.597 38 HG3 GLU 9 2HG GLU 9 -9.270 16.932 1.419 39 H LYS 10 H LYS 10 -6.661 12.883 2.182 40 HA LYS 10 HA LYS 10 -6.192 11.035 -0.062 41 HB2 LYS 10 1HB LYS 10 -5.902 10.261 2.823 42 HB3 LYS 10 2HB LYS 10 -5.144 9.548 1.405 43 HG2 LYS 10 1HG LYS 10 -4.508 12.317 2.383 44 HG3 LYS 10 2HG LYS 10 -3.634 10.877 2.910 45 HD2 LYS 10 1HD LYS 10 -3.152 10.393 0.501 46 HD3 LYS 10 2HD LYS 10 -3.855 11.962 0.105 47 HE2 LYS 10 1HE LYS 10 -2.141 13.133 1.144 48 HE3 LYS 10 2HE LYS 10 -1.668 11.755 2.137 49 HZ1 LYS 10 3HZ LYS 10 -1.368 11.058 -0.562 50 HZ2 LYS 10 1HZ LYS 10 -0.169 11.216 0.622 51 HZ3 LYS 10 2HZ LYS 10 -0.608 12.550 -0.321 52 HA PRO 11 HA PRO 11 -10.607 10.454 1.344 53 HB2 PRO 11 1HB PRO 11 -11.682 10.561 -1.146 54 HB3 PRO 11 2HB PRO 11 -11.411 11.999 -0.154 55 HG2 PRO 11 1HG PRO 11 -9.747 10.897 -2.385 56 HG3 PRO 11 2HG PRO 11 -10.194 12.579 -2.049 57 HD2 PRO 11 1HD PRO 11 -7.771 11.559 -1.401 58 HD3 PRO 11 2HD PRO 11 -8.563 12.824 -0.439 59 H TYR 12 H TYR 12 -8.241 8.785 -0.206 60 HA TYR 12 HA TYR 12 -9.991 6.466 -0.704 61 HB2 TYR 12 1HB TYR 12 -7.358 7.183 -2.006 62 HB3 TYR 12 2HB TYR 12 -8.210 5.664 -2.256 63 HD1 TYR 12 HD1 TYR 12 -8.424 9.324 -2.761 64 HD2 TYR 12 HD2 TYR 12 -10.009 5.512 -3.789 65 HE1 TYR 12 HE1 TYR 12 -9.717 10.359 -4.580 66 HE2 TYR 12 HE2 TYR 12 -11.305 6.535 -5.611 67 HH TYR 12 HH TYR 12 -11.188 10.036 -6.208 68 HA PRO 13 HA PRO 13 -7.426 5.326 2.931 69 HB2 PRO 13 1HB PRO 13 -9.357 3.796 4.072 70 HB3 PRO 13 2HB PRO 13 -9.266 5.548 4.290 71 HG2 PRO 13 1HG PRO 13 -10.993 3.958 2.432 72 HG3 PRO 13 2HG PRO 13 -11.419 5.357 3.434 73 HD2 PRO 13 1HD PRO 13 -10.908 5.565 0.783 74 HD3 PRO 13 2HD PRO 13 -10.527 6.862 1.933 75 H CYS 14 H CYS 14 -6.458 3.347 3.455 76 HA CYS 14 HA CYS 14 -6.444 1.415 1.315 77 HB2 CYS 14 1HB CYS 14 -4.333 2.021 2.330 78 HB3 CYS 14 2HB CYS 14 -4.919 1.551 3.922 79 H GLU 15 H GLU 15 -6.586 -0.928 1.757 80 HA GLU 15 HA GLU 15 -8.826 -1.464 3.576 81 HB2 GLU 15 1HB GLU 15 -9.241 -3.453 2.239 82 HB3 GLU 15 2HB GLU 15 -9.158 -2.035 1.204 83 HG2 GLU 15 1HG GLU 15 -6.753 -2.656 0.758 84 HG3 GLU 15 2HG GLU 15 -7.098 -4.189 1.557 85 H ILE 16 H ILE 16 -5.570 -2.504 2.756 86 HA ILE 16 HA ILE 16 -5.492 -4.743 4.496 87 HB ILE 16 HB ILE 16 -3.200 -3.081 3.444 88 HG12 ILE 16 1HG1 ILE 16 -3.107 -5.318 1.983 89 HG13 ILE 16 2HG1 ILE 16 -4.837 -5.292 2.307 90 HG21 ILE 16 1HG2 ILE 16 -3.346 -5.543 5.077 91 HG22 ILE 16 2HG2 ILE 16 -2.141 -5.506 3.790 92 HG23 ILE 16 3HG2 ILE 16 -2.126 -4.270 5.048 93 HD11 ILE 16 3HD1 ILE 16 -4.073 -2.689 1.512 94 HD12 ILE 16 1HD1 ILE 16 -3.367 -3.835 0.373 95 HD13 ILE 16 2HD1 ILE 16 -5.107 -3.841 0.667 96 H CYS 17 H CYS 17 -3.559 -1.773 4.832 97 HA CYS 17 HA CYS 17 -3.589 -2.115 7.725 98 HB2 CYS 17 1HB CYS 17 -1.904 -0.286 7.710 99 HB3 CYS 17 2HB CYS 17 -1.436 -1.661 6.715 100 H GLY 18 H GLY 18 -4.384 0.395 5.330 101 HA2 GLY 18 1HA GLY 18 -6.668 1.406 5.889 102 HA3 GLY 18 2HA GLY 18 -5.911 1.798 7.426 103 H THR 19 H THR 19 -3.330 2.252 5.855 104 HA THR 19 HA THR 19 -3.164 4.937 5.840 105 HB THR 19 HB THR 19 -1.912 3.059 3.833 106 HG1 THR 19 HG1 THR 19 -0.982 4.253 6.250 107 HG21 THR 19 3HG2 THR 19 -1.786 5.988 4.074 108 HG22 THR 19 1HG2 THR 19 -1.418 4.947 2.699 109 HG23 THR 19 2HG2 THR 19 -0.222 5.180 3.974 110 H ARG 20 H ARG 20 -3.824 6.643 4.651 111 HA ARG 20 HA ARG 20 -5.652 6.081 2.427 112 HB2 ARG 20 1HB ARG 20 -5.294 8.697 3.889 113 HB3 ARG 20 2HB ARG 20 -6.613 8.241 2.819 114 HG2 ARG 20 1HG ARG 20 -7.455 6.672 4.408 115 HG3 ARG 20 2HG ARG 20 -6.034 6.875 5.436 116 HD2 ARG 20 1HD ARG 20 -7.555 8.220 6.513 117 HD3 ARG 20 2HD ARG 20 -6.768 9.383 5.447 118 HE ARG 20 HE ARG 20 -8.874 8.504 3.983 119 HH11 ARG 20 1HH1 ARG 20 -8.548 9.825 7.187 120 HH12 ARG 20 2HH1 ARG 20 -10.120 10.555 7.187 121 HH21 ARG 20 1HH2 ARG 20 -10.944 9.460 3.971 122 HH22 ARG 20 2HH2 ARG 20 -11.482 10.346 5.357 123 H PHE 21 H PHE 21 -5.404 7.000 0.420 124 HA PHE 21 HA PHE 21 -2.867 8.426 -0.045 125 HB2 PHE 21 1HB PHE 21 -4.255 6.366 -1.763 126 HB3 PHE 21 2HB PHE 21 -2.944 7.384 -2.349 127 HD1 PHE 21 HD2 PHE 21 -3.781 4.921 0.303 128 HD2 PHE 21 HD1 PHE 21 -0.740 6.729 -2.063 129 HE1 PHE 21 HE2 PHE 21 -2.143 3.310 1.183 130 HE2 PHE 21 HE1 PHE 21 0.903 5.120 -1.187 131 HZ PHE 21 HZ PHE 21 0.202 3.408 0.439 132 H ARG 22 H ARG 22 -2.852 9.908 -1.863 133 HA ARG 22 HA ARG 22 -5.060 11.650 -1.856 134 HB2 ARG 22 1HB ARG 22 -3.877 12.824 -3.689 135 HB3 ARG 22 2HB ARG 22 -2.831 12.470 -2.320 136 HG2 ARG 22 1HG ARG 22 -1.912 10.547 -3.524 137 HG3 ARG 22 2HG ARG 22 -2.950 10.924 -4.901 138 HD2 ARG 22 1HD ARG 22 -0.854 11.850 -5.430 139 HD3 ARG 22 2HD ARG 22 -1.850 13.211 -4.914 140 HE ARG 22 HE ARG 22 -0.249 12.018 -2.827 141 HH11 ARG 22 1HH1 ARG 22 -0.424 14.436 -5.326 142 HH12 ARG 22 2HH1 ARG 22 0.799 15.440 -4.620 143 HH21 ARG 22 1HH2 ARG 22 1.362 13.332 -1.889 144 HH22 ARG 22 2HH2 ARG 22 1.814 14.811 -2.666 145 H HIS 23 H HIS 23 -3.912 9.342 -4.302 146 HA HIS 23 HA HIS 23 -6.573 9.496 -5.560 147 HB2 HIS 23 1HB HIS 23 -3.847 9.484 -6.768 148 HB3 HIS 23 2HB HIS 23 -5.136 8.649 -7.630 149 HD2 HIS 23 HD2 HIS 23 -5.470 12.159 -5.846 150 HE1 HIS 23 HE1 HIS 23 -6.333 12.575 -9.979 151 HE2 HIS 23 HE2 HIS 23 -6.162 13.755 -7.760 152 H LEU 24 H LEU 24 -7.336 7.536 -6.563 153 HA LEU 24 HA LEU 24 -6.849 5.237 -4.957 154 HB2 LEU 24 1HB LEU 24 -9.018 5.902 -6.092 155 HB3 LEU 24 2HB LEU 24 -8.309 5.293 -7.586 156 HG LEU 24 HG LEU 24 -8.420 3.085 -6.891 157 HD11 LEU 24 1HD1 LEU 24 -7.377 2.956 -4.848 158 HD12 LEU 24 2HD1 LEU 24 -9.049 2.623 -4.398 159 HD13 LEU 24 3HD1 LEU 24 -8.369 4.230 -4.137 160 HD21 LEU 24 3HD2 LEU 24 -10.771 4.621 -5.840 161 HD22 LEU 24 1HD2 LEU 24 -10.712 2.861 -5.757 162 HD23 LEU 24 2HD2 LEU 24 -10.636 3.672 -7.321 163 H GLN 25 H GLN 25 -6.269 5.915 -8.408 164 HA GLN 25 HA GLN 25 -5.140 3.610 -9.262 165 HB2 GLN 25 1HB GLN 25 -3.695 4.991 -10.758 166 HB3 GLN 25 2HB GLN 25 -5.387 5.469 -10.762 167 HG2 GLN 25 1HG GLN 25 -4.978 7.449 -9.692 168 HG3 GLN 25 2HG GLN 25 -3.516 6.851 -8.910 169 HE21 GLN 25 1HE2 GLN 25 -3.929 9.302 -10.411 170 HE22 GLN 25 2HE2 GLN 25 -2.800 9.267 -11.718 171 H THR 26 H THR 26 -3.757 5.878 -7.014 172 HA THR 26 HA THR 26 -1.126 4.680 -7.100 173 HB THR 26 HB THR 26 -2.282 6.751 -5.224 174 HG1 THR 26 HG1 THR 26 -0.316 7.202 -7.203 175 HG21 THR 26 3HG2 THR 26 0.639 6.468 -5.555 176 HG22 THR 26 1HG2 THR 26 -0.162 5.191 -4.640 177 HG23 THR 26 2HG2 THR 26 -0.307 6.871 -4.121 178 H LEU 27 H LEU 27 -3.859 4.793 -4.839 179 HA LEU 27 HA LEU 27 -2.740 3.351 -2.743 180 HB2 LEU 27 1HB LEU 27 -4.805 4.438 -2.389 181 HB3 LEU 27 2HB LEU 27 -5.567 3.589 -3.733 182 HG LEU 27 HG LEU 27 -5.600 1.531 -2.471 183 HD11 LEU 27 1HD1 LEU 27 -4.339 3.047 -0.194 184 HD12 LEU 27 2HD1 LEU 27 -3.462 1.950 -1.260 185 HD13 LEU 27 3HD1 LEU 27 -4.764 1.335 -0.242 186 HD21 LEU 27 3HD2 LEU 27 -6.780 4.004 -1.348 187 HD22 LEU 27 1HD2 LEU 27 -6.856 2.551 -0.351 188 HD23 LEU 27 2HD2 LEU 27 -7.563 2.549 -1.967 189 H LYS 28 H LYS 28 -4.395 2.202 -5.650 190 HA LYS 28 HA LYS 28 -4.552 -0.506 -5.027 191 HB2 LYS 28 1HB LYS 28 -4.252 0.931 -7.659 192 HB3 LYS 28 2HB LYS 28 -4.436 -0.815 -7.563 193 HG2 LYS 28 1HG LYS 28 -6.611 -0.663 -6.738 194 HG3 LYS 28 2HG LYS 28 -6.411 1.027 -6.268 195 HD2 LYS 28 1HD LYS 28 -6.565 1.780 -8.476 196 HD3 LYS 28 2HD LYS 28 -6.228 0.180 -9.141 197 HE2 LYS 28 1HE LYS 28 -8.379 -0.618 -8.531 198 HE3 LYS 28 2HE LYS 28 -8.700 0.805 -7.541 199 HZ1 LYS 28 3HZ LYS 28 -9.527 1.840 -9.298 200 HZ2 LYS 28 1HZ LYS 28 -9.341 0.427 -10.210 201 HZ3 LYS 28 2HZ LYS 28 -8.111 1.588 -10.189 202 H SER 29 H SER 29 -1.843 1.423 -6.062 203 HA SER 29 HA SER 29 -0.177 -0.879 -6.623 204 HB2 SER 29 1HB SER 29 0.017 1.284 -7.888 205 HB3 SER 29 2HB SER 29 0.651 2.024 -6.418 206 HG SER 29 HG SER 29 1.787 -0.236 -7.706 207 H HIS 30 H HIS 30 -1.075 0.927 -3.905 208 HA HIS 30 HA HIS 30 1.361 0.596 -2.412 209 HB2 HIS 30 1HB HIS 30 0.223 2.415 -1.595 210 HB3 HIS 30 2HB HIS 30 -1.357 1.687 -1.870 211 HD1 HIS 30 HD1 HIS 30 1.602 1.115 0.463 212 HD2 HIS 30 HD2 HIS 30 -2.549 0.928 0.429 213 HE1 HIS 30 HE1 HIS 30 0.936 0.510 2.812 214 H LEU 31 H LEU 31 -1.464 -1.279 -3.026 215 HA LEU 31 HA LEU 31 -1.312 -2.939 -0.707 216 HB2 LEU 31 1HB LEU 31 -2.540 -3.883 -3.252 217 HB3 LEU 31 2HB LEU 31 -3.082 -4.112 -1.591 218 HG LEU 31 HG LEU 31 -3.438 -1.708 -3.359 219 HD11 LEU 31 1HD1 LEU 31 -5.036 -3.921 -2.700 220 HD12 LEU 31 2HD1 LEU 31 -5.507 -2.469 -3.582 221 HD13 LEU 31 3HD1 LEU 31 -5.712 -2.542 -1.832 222 HD21 LEU 31 3HD2 LEU 31 -4.564 -0.753 -1.250 223 HD22 LEU 31 1HD2 LEU 31 -2.807 -0.663 -1.378 224 HD23 LEU 31 2HD2 LEU 31 -3.554 -1.902 -0.370 225 H ARG 32 H ARG 32 0.739 -2.623 -3.258 226 HA ARG 32 HA ARG 32 1.329 -5.352 -3.841 227 HB2 ARG 32 1HB ARG 32 2.571 -2.713 -4.448 228 HB3 ARG 32 2HB ARG 32 3.578 -4.146 -4.603 229 HG2 ARG 32 1HG ARG 32 2.568 -3.541 -6.729 230 HG3 ARG 32 2HG ARG 32 1.986 -5.111 -6.173 231 HD2 ARG 32 1HD ARG 32 -0.107 -4.242 -5.564 232 HD3 ARG 32 2HD ARG 32 0.477 -2.579 -5.610 233 HE ARG 32 HE ARG 32 0.067 -2.533 -7.862 234 HH11 ARG 32 1HH1 ARG 32 0.042 -5.836 -6.762 235 HH12 ARG 32 2HH1 ARG 32 -0.533 -6.471 -8.268 236 HH21 ARG 32 1HH2 ARG 32 -0.690 -3.356 -9.850 237 HH22 ARG 32 2HH2 ARG 32 -0.948 -5.059 -10.024 238 H ILE 33 H ILE 33 2.357 -3.081 -1.415 239 HA ILE 33 HA ILE 33 4.618 -4.679 -0.579 240 HB ILE 33 HB ILE 33 5.086 -3.014 1.009 241 HG12 ILE 33 1HG1 ILE 33 2.277 -1.950 0.635 242 HG13 ILE 33 2HG1 ILE 33 2.807 -2.935 1.994 243 HG21 ILE 33 1HG2 ILE 33 4.571 -2.324 -1.662 244 HG22 ILE 33 2HG2 ILE 33 3.987 -0.979 -0.684 245 HG23 ILE 33 3HG2 ILE 33 5.658 -1.519 -0.530 246 HD11 ILE 33 3HD1 ILE 33 4.541 -1.095 2.393 247 HD12 ILE 33 1HD1 ILE 33 3.544 -0.118 1.316 248 HD13 ILE 33 2HD1 ILE 33 2.860 -0.764 2.808 249 H HIS 34 H HIS 34 1.294 -4.732 -0.064 250 HA HIS 34 HA HIS 34 1.415 -5.788 2.635 251 HB2 HIS 34 1HB HIS 34 -0.821 -5.224 0.702 252 HB3 HIS 34 2HB HIS 34 -1.101 -6.150 2.174 253 HD1 HIS 34 HD1 HIS 34 0.378 -4.612 4.265 254 HD2 HIS 34 HD2 HIS 34 -1.756 -2.748 1.227 255 HE1 HIS 34 HE1 HIS 34 -0.147 -2.310 5.128 256 H THR 35 H THR 35 1.013 -6.952 -0.648 257 HA THR 35 HA THR 35 1.005 -9.713 0.389 258 HB THR 35 HB THR 35 -1.093 -9.380 -0.690 259 HG1 THR 35 HG1 THR 35 0.484 -11.210 -1.409 260 HG21 THR 35 3HG2 THR 35 0.478 -8.222 -2.993 261 HG22 THR 35 1HG2 THR 35 -0.633 -7.358 -1.931 262 HG23 THR 35 2HG2 THR 35 -1.247 -8.586 -3.038 263 H GLY 36 H GLY 36 3.401 -9.306 0.361 264 HA2 GLY 36 1HA GLY 36 4.451 -10.160 -2.245 265 HA3 GLY 36 2HA GLY 36 5.176 -8.764 -1.462 266 H SER 37 H SER 37 5.978 -9.147 0.799 267 HA SER 37 HA SER 37 6.569 -11.800 1.645 268 HB2 SER 37 1HB SER 37 8.187 -11.858 -0.104 269 HB3 SER 37 2HB SER 37 8.738 -10.222 0.256 270 HG SER 37 HG SER 37 10.218 -11.417 1.257 271 H GLY 38 H GLY 38 6.492 -11.609 3.777 272 HA2 GLY 38 1HA GLY 38 8.217 -10.145 5.356 273 HA3 GLY 38 2HA GLY 38 6.823 -9.105 5.105 274 HA PRO 39 HA PRO 39 6.137 -12.662 8.316 275 HB2 PRO 39 1HB PRO 39 7.327 -11.689 10.553 276 HB3 PRO 39 2HB PRO 39 8.152 -12.760 9.414 277 HG2 PRO 39 1HG PRO 39 8.309 -9.781 9.666 278 HG3 PRO 39 2HG PRO 39 9.614 -10.952 9.402 279 HD2 PRO 39 1HD PRO 39 8.550 -9.479 7.395 280 HD3 PRO 39 2HD PRO 39 9.175 -11.122 7.146 281 H SER 40 H SER 40 4.007 -12.105 8.421 282 HA SER 40 HA SER 40 2.922 -9.640 9.075 283 HB2 SER 40 1HB SER 40 1.861 -12.446 9.315 284 HB3 SER 40 2HB SER 40 0.892 -11.062 9.820 285 HG SER 40 HG SER 40 1.834 -11.727 7.249 286 H SER 41 H SER 41 3.545 -12.407 11.221 287 HA SER 41 HA SER 41 3.267 -10.580 13.516 288 HB2 SER 41 1HB SER 41 1.628 -12.492 13.382 289 HB3 SER 41 2HB SER 41 2.994 -13.592 13.571 290 HG SER 41 HG SER 41 1.833 -12.970 15.547 291 H GLY 42 H GLY 42 4.797 -10.655 15.173 292 HA2 GLY 42 1HA GLY 42 6.737 -11.969 16.088 293 HA3 GLY 42 2HA GLY 42 7.316 -12.010 14.429 Start of MODEL 11 1 H1 GLY 1 H GLY 1 10.151 30.331 -6.251 2 HA2 GLY 1 1HA GLY 1 9.460 28.569 -7.671 3 HA3 GLY 1 2HA GLY 1 10.114 27.416 -6.517 4 H SER 2 H SER 2 7.474 27.517 -7.809 5 HA SER 2 HA SER 2 5.572 28.290 -5.811 6 HB2 SER 2 1HB SER 2 3.939 27.101 -7.312 7 HB3 SER 2 2HB SER 2 4.877 28.361 -8.113 8 HG SER 2 HG SER 2 4.834 26.485 -9.377 9 H SER 3 H SER 3 6.115 27.180 -3.932 10 HA SER 3 HA SER 3 6.790 24.590 -3.519 11 HB2 SER 3 1HB SER 3 6.468 26.333 -1.743 12 HB3 SER 3 2HB SER 3 4.732 26.036 -1.836 13 HG SER 3 HG SER 3 6.781 24.322 -0.938 14 H GLY 4 H GLY 4 3.501 25.806 -4.048 15 HA2 GLY 4 1HA GLY 4 2.543 23.647 -5.458 16 HA3 GLY 4 2HA GLY 4 2.268 23.241 -3.770 17 H SER 5 H SER 5 1.415 25.414 -2.570 18 HA SER 5 HA SER 5 -0.483 26.614 -2.180 19 HB2 SER 5 1HB SER 5 0.091 27.341 -5.055 20 HB3 SER 5 2HB SER 5 -1.192 28.106 -4.117 21 HG SER 5 HG SER 5 0.412 29.399 -3.606 22 H SER 6 H SER 6 -0.957 23.926 -2.711 23 HA SER 6 HA SER 6 -3.656 24.086 -3.831 24 HB2 SER 6 1HB SER 6 -3.371 22.067 -5.146 25 HB3 SER 6 2HB SER 6 -2.144 23.239 -5.624 26 HG SER 6 HG SER 6 -1.741 21.111 -3.789 27 H GLY 7 H GLY 7 -5.021 22.250 -3.207 28 HA2 GLY 7 1HA GLY 7 -4.223 21.247 -0.553 29 HA3 GLY 7 2HA GLY 7 -5.880 21.477 -1.093 30 H GLY 8 H GLY 8 -4.059 19.128 -0.131 31 HA2 GLY 8 1HA GLY 8 -5.088 17.240 -2.152 32 HA3 GLY 8 2HA GLY 8 -3.449 17.093 -1.535 33 H GLU 9 H GLU 9 -6.212 15.582 -1.363 34 HA GLU 9 HA GLU 9 -5.855 14.866 1.467 35 HB2 GLU 9 1HB GLU 9 -8.415 15.457 0.006 36 HB3 GLU 9 2HB GLU 9 -8.399 14.411 1.419 37 HG2 GLU 9 1HG GLU 9 -8.982 16.625 2.100 38 HG3 GLU 9 2HG GLU 9 -7.375 16.248 2.717 39 H LYS 10 H LYS 10 -6.513 12.696 2.010 40 HA LYS 10 HA LYS 10 -6.261 10.873 -0.284 41 HB2 LYS 10 1HB LYS 10 -5.734 10.306 2.638 42 HB3 LYS 10 2HB LYS 10 -5.416 9.221 1.291 43 HG2 LYS 10 1HG LYS 10 -3.546 10.344 0.643 44 HG3 LYS 10 2HG LYS 10 -4.132 11.896 1.248 45 HD2 LYS 10 1HD LYS 10 -3.641 11.288 3.502 46 HD3 LYS 10 2HD LYS 10 -3.311 9.616 3.040 47 HE2 LYS 10 1HE LYS 10 -1.376 10.360 1.742 48 HE3 LYS 10 2HE LYS 10 -1.711 12.031 2.193 49 HZ1 LYS 10 3HZ LYS 10 -1.505 10.261 4.447 50 HZ2 LYS 10 1HZ LYS 10 -0.757 11.753 4.172 51 HZ3 LYS 10 2HZ LYS 10 -0.081 10.339 3.537 52 HA PRO 11 HA PRO 11 -10.631 10.400 1.237 53 HB2 PRO 11 1HB PRO 11 -11.747 10.413 -1.238 54 HB3 PRO 11 2HB PRO 11 -11.427 11.890 -0.320 55 HG2 PRO 11 1HG PRO 11 -9.827 10.644 -2.522 56 HG3 PRO 11 2HG PRO 11 -10.230 12.350 -2.261 57 HD2 PRO 11 1HD PRO 11 -7.820 11.306 -1.604 58 HD3 PRO 11 2HD PRO 11 -8.566 12.633 -0.691 59 H TYR 12 H TYR 12 -8.332 8.605 -0.279 60 HA TYR 12 HA TYR 12 -10.141 6.303 -0.615 61 HB2 TYR 12 1HB TYR 12 -7.539 6.899 -2.036 62 HB3 TYR 12 2HB TYR 12 -8.436 5.392 -2.188 63 HD1 TYR 12 HD1 TYR 12 -8.557 9.024 -2.873 64 HD2 TYR 12 HD2 TYR 12 -10.311 5.222 -3.632 65 HE1 TYR 12 HE1 TYR 12 -9.886 10.007 -4.695 66 HE2 TYR 12 HE2 TYR 12 -11.643 6.195 -5.456 67 HH TYR 12 HH TYR 12 -12.389 8.190 -6.330 68 HA PRO 13 HA PRO 13 -7.473 5.289 2.983 69 HB2 PRO 13 1HB PRO 13 -9.391 3.854 4.262 70 HB3 PRO 13 2HB PRO 13 -9.260 5.612 4.391 71 HG2 PRO 13 1HG PRO 13 -11.079 3.970 2.672 72 HG3 PRO 13 2HG PRO 13 -11.445 5.424 3.618 73 HD2 PRO 13 1HD PRO 13 -11.023 5.493 0.944 74 HD3 PRO 13 2HD PRO 13 -10.578 6.837 2.016 75 H CYS 14 H CYS 14 -6.226 3.515 3.127 76 HA CYS 14 HA CYS 14 -6.377 1.455 1.226 77 HB2 CYS 14 1HB CYS 14 -4.254 1.984 2.193 78 HB3 CYS 14 2HB CYS 14 -4.850 1.680 3.821 79 H GLU 15 H GLU 15 -6.557 -0.880 1.692 80 HA GLU 15 HA GLU 15 -8.825 -1.363 3.487 81 HB2 GLU 15 1HB GLU 15 -9.240 -3.368 2.185 82 HB3 GLU 15 2HB GLU 15 -9.098 -1.982 1.113 83 HG2 GLU 15 1HG GLU 15 -7.815 -3.444 -0.037 84 HG3 GLU 15 2HG GLU 15 -6.575 -2.779 1.025 85 H ILE 16 H ILE 16 -5.581 -2.504 2.719 86 HA ILE 16 HA ILE 16 -5.549 -4.685 4.519 87 HB ILE 16 HB ILE 16 -3.234 -3.057 3.463 88 HG12 ILE 16 1HG1 ILE 16 -3.111 -5.360 2.103 89 HG13 ILE 16 2HG1 ILE 16 -4.847 -5.313 2.387 90 HG21 ILE 16 1HG2 ILE 16 -2.380 -4.201 5.309 91 HG22 ILE 16 2HG2 ILE 16 -3.368 -5.627 4.999 92 HG23 ILE 16 3HG2 ILE 16 -2.003 -5.255 3.947 93 HD11 ILE 16 3HD1 ILE 16 -4.140 -2.751 1.509 94 HD12 ILE 16 1HD1 ILE 16 -3.281 -3.886 0.468 95 HD13 ILE 16 2HD1 ILE 16 -5.035 -3.990 0.629 96 H CYS 17 H CYS 17 -3.590 -1.731 4.846 97 HA CYS 17 HA CYS 17 -3.698 -2.016 7.744 98 HB2 CYS 17 1HB CYS 17 -1.983 -0.219 7.738 99 HB3 CYS 17 2HB CYS 17 -1.513 -1.616 6.776 100 H GLY 18 H GLY 18 -4.376 0.469 5.286 101 HA2 GLY 18 1HA GLY 18 -6.652 1.533 5.741 102 HA3 GLY 18 2HA GLY 18 -5.959 1.917 7.309 103 H THR 19 H THR 19 -3.300 2.316 5.860 104 HA THR 19 HA THR 19 -3.159 5.029 5.817 105 HB THR 19 HB THR 19 -1.647 2.991 4.207 106 HG1 THR 19 HG1 THR 19 -1.421 3.570 6.611 107 HG21 THR 19 3HG2 THR 19 -0.049 4.919 3.713 108 HG22 THR 19 1HG2 THR 19 -1.398 5.987 4.095 109 HG23 THR 19 2HG2 THR 19 -1.529 4.846 2.757 110 H ARG 20 H ARG 20 -4.291 6.509 4.759 111 HA ARG 20 HA ARG 20 -5.688 5.886 2.323 112 HB2 ARG 20 1HB ARG 20 -5.397 8.599 3.612 113 HB3 ARG 20 2HB ARG 20 -6.659 8.063 2.511 114 HG2 ARG 20 1HG ARG 20 -7.793 6.939 4.132 115 HG3 ARG 20 2HG ARG 20 -6.336 6.591 5.065 116 HD2 ARG 20 1HD ARG 20 -6.361 8.629 6.121 117 HD3 ARG 20 2HD ARG 20 -7.223 9.421 4.802 118 HE ARG 20 HE ARG 20 -8.968 7.573 5.907 119 HH11 ARG 20 1HH1 ARG 20 -7.269 10.441 6.912 120 HH12 ARG 20 2HH1 ARG 20 -8.471 10.905 8.071 121 HH21 ARG 20 1HH2 ARG 20 -10.557 8.173 7.430 122 HH22 ARG 20 2HH2 ARG 20 -10.340 9.613 8.365 123 H PHE 21 H PHE 21 -5.412 6.905 0.304 124 HA PHE 21 HA PHE 21 -2.781 8.167 -0.098 125 HB2 PHE 21 1HB PHE 21 -4.136 6.025 -1.726 126 HB3 PHE 21 2HB PHE 21 -2.877 7.047 -2.410 127 HD1 PHE 21 HD2 PHE 21 -3.574 4.681 0.360 128 HD2 PHE 21 HD1 PHE 21 -0.630 6.533 -2.093 129 HE1 PHE 21 HE2 PHE 21 -1.859 3.183 1.293 130 HE2 PHE 21 HE1 PHE 21 1.089 5.038 -1.165 131 HZ PHE 21 HZ PHE 21 0.476 3.361 0.532 132 H ARG 22 H ARG 22 -2.758 10.011 -1.242 133 HA ARG 22 HA ARG 22 -4.831 11.667 -1.604 134 HB2 ARG 22 1HB ARG 22 -2.388 11.315 -3.326 135 HB3 ARG 22 2HB ARG 22 -3.554 12.594 -3.638 136 HG2 ARG 22 1HG ARG 22 -2.431 12.308 -0.896 137 HG3 ARG 22 2HG ARG 22 -1.437 13.028 -2.165 138 HD2 ARG 22 1HD ARG 22 -4.208 13.949 -1.412 139 HD3 ARG 22 2HD ARG 22 -2.713 14.695 -0.850 140 HE ARG 22 HE ARG 22 -3.922 14.966 -3.449 141 HH11 ARG 22 1HH1 ARG 22 -0.978 15.205 -1.606 142 HH12 ARG 22 2HH1 ARG 22 -0.223 16.307 -2.708 143 HH21 ARG 22 1HH2 ARG 22 -2.938 16.417 -4.909 144 HH22 ARG 22 2HH2 ARG 22 -1.339 16.997 -4.587 145 H HIS 23 H HIS 23 -3.680 9.500 -4.195 146 HA HIS 23 HA HIS 23 -6.355 9.698 -5.415 147 HB2 HIS 23 1HB HIS 23 -3.619 9.413 -6.614 148 HB3 HIS 23 2HB HIS 23 -5.034 8.848 -7.498 149 HD2 HIS 23 HD2 HIS 23 -4.633 12.274 -5.550 150 HE1 HIS 23 HE1 HIS 23 -5.699 13.033 -9.586 151 HE2 HIS 23 HE2 HIS 23 -5.148 14.057 -7.352 152 H LEU 24 H LEU 24 -7.137 7.762 -6.520 153 HA LEU 24 HA LEU 24 -6.812 5.443 -4.878 154 HB2 LEU 24 1HB LEU 24 -8.967 6.075 -5.864 155 HB3 LEU 24 2HB LEU 24 -8.307 5.792 -7.474 156 HG LEU 24 HG LEU 24 -8.409 3.505 -7.262 157 HD11 LEU 24 1HD1 LEU 24 -8.369 2.269 -5.215 158 HD12 LEU 24 2HD1 LEU 24 -8.564 3.740 -4.263 159 HD13 LEU 24 3HD1 LEU 24 -7.073 3.465 -5.164 160 HD21 LEU 24 3HD2 LEU 24 -10.577 2.923 -6.296 161 HD22 LEU 24 1HD2 LEU 24 -10.669 4.423 -7.220 162 HD23 LEU 24 2HD2 LEU 24 -10.624 4.475 -5.457 163 H GLN 25 H GLN 25 -6.311 5.985 -8.371 164 HA GLN 25 HA GLN 25 -5.246 3.660 -9.188 165 HB2 GLN 25 1HB GLN 25 -3.828 4.917 -10.763 166 HB3 GLN 25 2HB GLN 25 -5.456 5.576 -10.669 167 HG2 GLN 25 1HG GLN 25 -4.751 7.450 -9.461 168 HG3 GLN 25 2HG GLN 25 -3.204 6.711 -9.052 169 HE21 GLN 25 1HE2 GLN 25 -5.012 8.449 -11.413 170 HE22 GLN 25 2HE2 GLN 25 -3.710 8.744 -12.509 171 H THR 26 H THR 26 -3.773 5.872 -6.955 172 HA THR 26 HA THR 26 -1.173 4.616 -7.072 173 HB THR 26 HB THR 26 -2.259 6.650 -5.115 174 HG1 THR 26 HG1 THR 26 -2.081 7.403 -7.295 175 HG21 THR 26 3HG2 THR 26 0.486 5.496 -5.538 176 HG22 THR 26 1HG2 THR 26 -0.439 5.609 -4.041 177 HG23 THR 26 2HG2 THR 26 0.238 7.065 -4.771 178 H LEU 27 H LEU 27 -3.896 4.733 -4.801 179 HA LEU 27 HA LEU 27 -2.824 3.265 -2.715 180 HB2 LEU 27 1HB LEU 27 -4.929 4.340 -2.453 181 HB3 LEU 27 2HB LEU 27 -5.637 3.409 -3.772 182 HG LEU 27 HG LEU 27 -5.633 1.411 -2.432 183 HD11 LEU 27 1HD1 LEU 27 -3.485 2.059 -1.228 184 HD12 LEU 27 2HD1 LEU 27 -4.719 1.228 -0.282 185 HD13 LEU 27 3HD1 LEU 27 -4.514 2.973 -0.126 186 HD21 LEU 27 3HD2 LEU 27 -6.759 3.854 -1.091 187 HD22 LEU 27 1HD2 LEU 27 -7.063 2.222 -0.496 188 HD23 LEU 27 2HD2 LEU 27 -7.589 2.682 -2.116 189 H LYS 28 H LYS 28 -4.598 2.065 -5.555 190 HA LYS 28 HA LYS 28 -4.627 -0.632 -4.979 191 HB2 LYS 28 1HB LYS 28 -4.304 0.742 -7.650 192 HB3 LYS 28 2HB LYS 28 -4.640 -0.975 -7.465 193 HG2 LYS 28 1HG LYS 28 -6.795 -0.624 -6.784 194 HG3 LYS 28 2HG LYS 28 -6.445 0.981 -6.137 195 HD2 LYS 28 1HD LYS 28 -6.646 1.998 -8.181 196 HD3 LYS 28 2HD LYS 28 -6.171 0.549 -9.069 197 HE2 LYS 28 1HE LYS 28 -8.593 1.238 -9.281 198 HE3 LYS 28 2HE LYS 28 -8.302 -0.433 -8.799 199 HZ1 LYS 28 3HZ LYS 28 -8.536 0.483 -6.430 200 HZ2 LYS 28 1HZ LYS 28 -9.941 0.274 -7.349 201 HZ3 LYS 28 2HZ LYS 28 -9.276 1.817 -7.161 202 H SER 29 H SER 29 -1.976 1.356 -6.072 203 HA SER 29 HA SER 29 -0.269 -0.906 -6.657 204 HB2 SER 29 1HB SER 29 -0.123 1.256 -7.915 205 HB3 SER 29 2HB SER 29 0.483 2.019 -6.445 206 HG SER 29 HG SER 29 2.316 0.835 -6.572 207 H HIS 30 H HIS 30 -1.102 0.976 -3.933 208 HA HIS 30 HA HIS 30 1.340 0.623 -2.474 209 HB2 HIS 30 1HB HIS 30 0.203 2.446 -1.654 210 HB3 HIS 30 2HB HIS 30 -1.376 1.700 -1.881 211 HD1 HIS 30 HD1 HIS 30 1.647 1.210 0.386 212 HD2 HIS 30 HD2 HIS 30 -2.497 0.921 0.448 213 HE1 HIS 30 HE1 HIS 30 1.050 0.613 2.755 214 H LEU 31 H LEU 31 -1.507 -1.251 -3.013 215 HA LEU 31 HA LEU 31 -1.315 -2.902 -0.697 216 HB2 LEU 31 1HB LEU 31 -2.564 -3.844 -3.237 217 HB3 LEU 31 2HB LEU 31 -3.075 -4.110 -1.572 218 HG LEU 31 HG LEU 31 -3.482 -1.670 -3.280 219 HD11 LEU 31 1HD1 LEU 31 -5.742 -2.573 -1.781 220 HD12 LEU 31 2HD1 LEU 31 -5.045 -3.927 -2.669 221 HD13 LEU 31 3HD1 LEU 31 -5.534 -2.467 -3.529 222 HD21 LEU 31 3HD2 LEU 31 -2.901 -0.633 -1.300 223 HD22 LEU 31 1HD2 LEU 31 -3.524 -1.949 -0.305 224 HD23 LEU 31 2HD2 LEU 31 -4.641 -0.843 -1.104 225 H ARG 32 H ARG 32 0.726 -2.588 -3.249 226 HA ARG 32 HA ARG 32 1.321 -5.324 -3.816 227 HB2 ARG 32 1HB ARG 32 2.532 -2.684 -4.477 228 HB3 ARG 32 2HB ARG 32 3.549 -4.111 -4.625 229 HG2 ARG 32 1HG ARG 32 2.563 -3.632 -6.752 230 HG3 ARG 32 2HG ARG 32 1.847 -5.114 -6.116 231 HD2 ARG 32 1HD ARG 32 -0.170 -4.053 -5.596 232 HD3 ARG 32 2HD ARG 32 0.551 -2.447 -5.679 233 HE ARG 32 HE ARG 32 0.108 -2.423 -7.916 234 HH11 ARG 32 1HH1 ARG 32 0.054 -5.721 -6.804 235 HH12 ARG 32 2HH1 ARG 32 -0.488 -6.361 -8.320 236 HH21 ARG 32 1HH2 ARG 32 -0.606 -3.252 -9.917 237 HH22 ARG 32 2HH2 ARG 32 -0.862 -4.956 -10.090 238 H ILE 33 H ILE 33 2.450 -2.964 -1.498 239 HA ILE 33 HA ILE 33 4.707 -4.544 -0.654 240 HB ILE 33 HB ILE 33 5.088 -2.868 1.014 241 HG12 ILE 33 1HG1 ILE 33 2.605 -1.366 0.297 242 HG13 ILE 33 2HG1 ILE 33 2.481 -2.716 1.420 243 HG21 ILE 33 1HG2 ILE 33 5.956 -1.843 -0.783 244 HG22 ILE 33 2HG2 ILE 33 4.508 -2.104 -1.754 245 HG23 ILE 33 3HG2 ILE 33 4.578 -0.755 -0.619 246 HD11 ILE 33 3HD1 ILE 33 3.272 -0.052 1.936 247 HD12 ILE 33 1HD1 ILE 33 3.136 -1.400 3.065 248 HD13 ILE 33 2HD1 ILE 33 4.661 -1.098 2.231 249 H HIS 34 H HIS 34 1.393 -4.629 -0.078 250 HA HIS 34 HA HIS 34 1.562 -5.630 2.636 251 HB2 HIS 34 1HB HIS 34 -0.691 -5.150 0.706 252 HB3 HIS 34 2HB HIS 34 -0.950 -6.085 2.175 253 HD1 HIS 34 HD1 HIS 34 0.516 -4.496 4.256 254 HD2 HIS 34 HD2 HIS 34 -1.728 -2.714 1.246 255 HE1 HIS 34 HE1 HIS 34 -0.082 -2.212 5.124 256 H THR 35 H THR 35 0.695 -6.914 -0.563 257 HA THR 35 HA THR 35 1.069 -9.631 0.518 258 HB THR 35 HB THR 35 -1.222 -9.146 -0.334 259 HG1 THR 35 HG1 THR 35 -1.021 -11.006 -1.990 260 HG21 THR 35 3HG2 THR 35 -0.003 -9.108 -3.083 261 HG22 THR 35 1HG2 THR 35 -0.345 -7.626 -2.191 262 HG23 THR 35 2HG2 THR 35 -1.658 -8.725 -2.611 263 H GLY 36 H GLY 36 2.887 -10.589 -0.099 264 HA2 GLY 36 1HA GLY 36 4.162 -11.533 -1.939 265 HA3 GLY 36 2HA GLY 36 3.911 -10.027 -2.809 266 H SER 37 H SER 37 5.658 -11.576 -0.193 267 HA SER 37 HA SER 37 7.641 -9.402 -0.333 268 HB2 SER 37 1HB SER 37 6.339 -9.350 1.798 269 HB3 SER 37 2HB SER 37 6.926 -10.974 2.154 270 HG SER 37 HG SER 37 8.139 -8.630 2.575 271 H GLY 38 H GLY 38 7.036 -12.829 0.263 272 HA2 GLY 38 1HA GLY 38 9.833 -13.356 -0.525 273 HA3 GLY 38 2HA GLY 38 9.087 -14.213 0.816 274 HA PRO 39 HA PRO 39 8.571 -16.841 -2.942 275 HB2 PRO 39 1HB PRO 39 9.147 -19.166 -1.665 276 HB3 PRO 39 2HB PRO 39 10.390 -18.113 -2.350 277 HG2 PRO 39 1HG PRO 39 9.465 -18.354 0.487 278 HG3 PRO 39 2HG PRO 39 11.116 -18.215 -0.143 279 HD2 PRO 39 1HD PRO 39 9.776 -16.110 0.907 280 HD3 PRO 39 2HD PRO 39 10.960 -15.930 -0.404 281 H SER 40 H SER 40 7.044 -16.423 0.025 282 HA SER 40 HA SER 40 4.760 -18.024 -0.880 283 HB2 SER 40 1HB SER 40 5.725 -17.995 1.988 284 HB3 SER 40 2HB SER 40 4.375 -18.922 1.335 285 HG SER 40 HG SER 40 7.007 -19.529 1.374 286 H SER 41 H SER 41 3.140 -16.652 -1.156 287 HA SER 41 HA SER 41 3.005 -14.038 -0.276 288 HB2 SER 41 1HB SER 41 0.542 -14.206 -0.750 289 HB3 SER 41 2HB SER 41 1.570 -14.794 -2.057 290 HG SER 41 HG SER 41 -0.280 -16.156 -1.407 291 H GLY 42 H GLY 42 1.610 -13.010 1.297 292 HA2 GLY 42 1HA GLY 42 0.534 -12.830 3.342 293 HA3 GLY 42 2HA GLY 42 0.497 -14.584 3.440 Start of MODEL 12 1 H1 GLY 1 H GLY 1 13.838 20.528 -3.817 2 HA2 GLY 1 1HA GLY 1 15.137 21.307 -1.956 3 HA3 GLY 1 2HA GLY 1 13.491 21.840 -1.651 4 H SER 2 H SER 2 12.730 21.401 0.299 5 HA SER 2 HA SER 2 13.764 19.026 1.704 6 HB2 SER 2 1HB SER 2 13.799 20.239 3.779 7 HB3 SER 2 2HB SER 2 14.677 21.201 2.590 8 HG SER 2 HG SER 2 12.127 21.632 3.697 9 H SER 3 H SER 3 12.321 17.899 3.012 10 HA SER 3 HA SER 3 9.672 17.760 2.149 11 HB2 SER 3 1HB SER 3 9.304 16.240 4.020 12 HB3 SER 3 2HB SER 3 10.874 15.912 3.287 13 HG SER 3 HG SER 3 11.747 16.334 5.139 14 H GLY 4 H GLY 4 7.787 18.656 2.810 15 HA2 GLY 4 1HA GLY 4 7.764 20.285 5.245 16 HA3 GLY 4 2HA GLY 4 7.388 21.081 3.724 17 H SER 5 H SER 5 5.273 21.513 3.832 18 HA SER 5 HA SER 5 3.458 19.251 4.341 19 HB2 SER 5 1HB SER 5 3.385 22.030 5.464 20 HB3 SER 5 2HB SER 5 1.875 21.155 5.210 21 HG SER 5 HG SER 5 2.477 19.661 6.675 22 H SER 6 H SER 6 3.026 18.835 2.207 23 HA SER 6 HA SER 6 1.212 20.665 0.902 24 HB2 SER 6 1HB SER 6 3.946 20.073 -0.209 25 HB3 SER 6 2HB SER 6 2.600 20.480 -1.272 26 HG SER 6 HG SER 6 4.142 22.125 0.128 27 H GLY 7 H GLY 7 -0.122 19.664 -0.592 28 HA2 GLY 7 1HA GLY 7 -0.043 17.530 -2.107 29 HA3 GLY 7 2HA GLY 7 -0.005 16.736 -0.540 30 H GLY 8 H GLY 8 -2.016 15.931 -1.957 31 HA2 GLY 8 1HA GLY 8 -4.335 17.622 -1.294 32 HA3 GLY 8 2HA GLY 8 -4.320 16.353 -2.509 33 H GLU 9 H GLU 9 -6.338 16.463 -0.657 34 HA GLU 9 HA GLU 9 -5.894 14.938 1.671 35 HB2 GLU 9 1HB GLU 9 -8.392 15.458 0.059 36 HB3 GLU 9 2HB GLU 9 -8.396 14.573 1.579 37 HG2 GLU 9 1HG GLU 9 -7.378 16.577 2.660 38 HG3 GLU 9 2HG GLU 9 -7.613 17.443 1.142 39 H LYS 10 H LYS 10 -6.488 12.766 2.135 40 HA LYS 10 HA LYS 10 -6.224 10.990 -0.196 41 HB2 LYS 10 1HB LYS 10 -5.594 10.504 2.721 42 HB3 LYS 10 2HB LYS 10 -5.467 9.286 1.458 43 HG2 LYS 10 1HG LYS 10 -3.301 9.983 1.575 44 HG3 LYS 10 2HG LYS 10 -3.911 11.078 0.333 45 HD2 LYS 10 1HD LYS 10 -3.989 12.889 1.792 46 HD3 LYS 10 2HD LYS 10 -3.993 11.857 3.225 47 HE2 LYS 10 1HE LYS 10 -1.632 11.144 2.282 48 HE3 LYS 10 2HE LYS 10 -1.724 12.722 1.502 49 HZ1 LYS 10 3HZ LYS 10 -1.643 13.813 3.489 50 HZ2 LYS 10 1HZ LYS 10 -0.710 12.457 3.880 51 HZ3 LYS 10 2HZ LYS 10 -2.328 12.538 4.365 52 HA PRO 11 HA PRO 11 -10.582 10.455 1.349 53 HB2 PRO 11 1HB PRO 11 -11.722 10.543 -1.114 54 HB3 PRO 11 2HB PRO 11 -11.401 11.990 -0.152 55 HG2 PRO 11 1HG PRO 11 -9.816 10.826 -2.409 56 HG3 PRO 11 2HG PRO 11 -10.226 12.521 -2.087 57 HD2 PRO 11 1HD PRO 11 -7.804 11.469 -1.489 58 HD3 PRO 11 2HD PRO 11 -8.548 12.762 -0.526 59 H TYR 12 H TYR 12 -8.284 8.715 -0.210 60 HA TYR 12 HA TYR 12 -10.085 6.416 -0.609 61 HB2 TYR 12 1HB TYR 12 -7.510 7.076 -2.052 62 HB3 TYR 12 2HB TYR 12 -8.395 5.566 -2.234 63 HD1 TYR 12 HD1 TYR 12 -8.546 9.212 -2.823 64 HD2 TYR 12 HD2 TYR 12 -10.307 5.426 -3.640 65 HE1 TYR 12 HE1 TYR 12 -9.912 10.236 -4.594 66 HE2 TYR 12 HE2 TYR 12 -11.677 6.439 -5.413 67 HH TYR 12 HH TYR 12 -12.137 9.708 -5.738 68 HA PRO 13 HA PRO 13 -7.355 5.310 2.915 69 HB2 PRO 13 1HB PRO 13 -9.242 3.819 4.174 70 HB3 PRO 13 2HB PRO 13 -9.124 5.573 4.357 71 HG2 PRO 13 1HG PRO 13 -10.954 3.969 2.613 72 HG3 PRO 13 2HG PRO 13 -11.319 5.390 3.610 73 HD2 PRO 13 1HD PRO 13 -10.936 5.547 0.934 74 HD3 PRO 13 2HD PRO 13 -10.487 6.860 2.042 75 H CYS 14 H CYS 14 -6.252 3.415 3.263 76 HA CYS 14 HA CYS 14 -6.333 1.452 1.207 77 HB2 CYS 14 1HB CYS 14 -4.221 1.962 2.230 78 HB3 CYS 14 2HB CYS 14 -4.841 1.574 3.831 79 H GLU 15 H GLU 15 -6.533 -0.893 1.608 80 HA GLU 15 HA GLU 15 -8.828 -1.409 3.358 81 HB2 GLU 15 1HB GLU 15 -9.294 -2.054 1.128 82 HB3 GLU 15 2HB GLU 15 -7.729 -2.833 0.944 83 HG2 GLU 15 1HG GLU 15 -9.207 -4.604 1.161 84 HG3 GLU 15 2HG GLU 15 -8.520 -4.434 2.775 85 H ILE 16 H ILE 16 -5.573 -2.536 2.623 86 HA ILE 16 HA ILE 16 -5.589 -4.754 4.387 87 HB ILE 16 HB ILE 16 -3.217 -3.159 3.410 88 HG12 ILE 16 1HG1 ILE 16 -3.176 -5.383 1.914 89 HG13 ILE 16 2HG1 ILE 16 -4.913 -5.266 2.173 90 HG21 ILE 16 1HG2 ILE 16 -1.880 -4.607 4.453 91 HG22 ILE 16 2HG2 ILE 16 -3.304 -5.098 5.368 92 HG23 ILE 16 3HG2 ILE 16 -2.833 -5.993 3.924 93 HD11 ILE 16 3HD1 ILE 16 -3.305 -3.874 0.313 94 HD12 ILE 16 1HD1 ILE 16 -5.047 -3.764 0.563 95 HD13 ILE 16 2HD1 ILE 16 -3.959 -2.698 1.452 96 H CYS 17 H CYS 17 -3.578 -1.840 4.751 97 HA CYS 17 HA CYS 17 -3.658 -2.161 7.639 98 HB2 CYS 17 1HB CYS 17 -1.985 -0.320 7.636 99 HB3 CYS 17 2HB CYS 17 -1.500 -1.695 6.648 100 H GLY 18 H GLY 18 -4.435 0.358 5.246 101 HA2 GLY 18 1HA GLY 18 -6.729 1.358 5.775 102 HA3 GLY 18 2HA GLY 18 -6.002 1.737 7.329 103 H THR 19 H THR 19 -3.397 2.204 5.784 104 HA THR 19 HA THR 19 -3.273 4.908 5.798 105 HB THR 19 HB THR 19 -1.886 3.011 3.904 106 HG1 THR 19 HG1 THR 19 -0.427 2.905 5.464 107 HG21 THR 19 3HG2 THR 19 -1.635 4.988 2.730 108 HG22 THR 19 1HG2 THR 19 -0.232 5.032 3.797 109 HG23 THR 19 2HG2 THR 19 -1.666 5.980 4.188 110 H ARG 20 H ARG 20 -3.863 6.600 4.541 111 HA ARG 20 HA ARG 20 -5.605 5.995 2.261 112 HB2 ARG 20 1HB ARG 20 -5.313 8.704 3.525 113 HB3 ARG 20 2HB ARG 20 -6.674 8.050 2.624 114 HG2 ARG 20 1HG ARG 20 -7.293 6.636 4.444 115 HG3 ARG 20 2HG ARG 20 -5.819 7.042 5.325 116 HD2 ARG 20 1HD ARG 20 -7.267 8.460 6.365 117 HD3 ARG 20 2HD ARG 20 -6.764 9.498 5.032 118 HE ARG 20 HE ARG 20 -8.874 9.325 4.129 119 HH11 ARG 20 1HH1 ARG 20 -8.497 7.014 6.705 120 HH12 ARG 20 2HH1 ARG 20 -10.179 6.600 6.755 121 HH21 ARG 20 1HH2 ARG 20 -11.091 8.789 4.186 122 HH22 ARG 20 2HH2 ARG 20 -11.653 7.610 5.322 123 H PHE 21 H PHE 21 -5.379 7.080 0.278 124 HA PHE 21 HA PHE 21 -2.783 8.407 -0.134 125 HB2 PHE 21 1HB PHE 21 -4.126 6.318 -1.849 126 HB3 PHE 21 2HB PHE 21 -2.832 7.350 -2.449 127 HD1 PHE 21 HD2 PHE 21 -3.631 4.917 0.242 128 HD2 PHE 21 HD1 PHE 21 -0.616 6.742 -2.144 129 HE1 PHE 21 HE2 PHE 21 -1.967 3.352 1.155 130 HE2 PHE 21 HE1 PHE 21 1.053 5.179 -1.236 131 HZ PHE 21 HZ PHE 21 0.379 3.482 0.417 132 H ARG 22 H ARG 22 -2.736 10.136 -1.537 133 HA ARG 22 HA ARG 22 -4.889 11.809 -1.726 134 HB2 ARG 22 1HB ARG 22 -3.683 12.975 -3.529 135 HB3 ARG 22 2HB ARG 22 -2.618 12.544 -2.198 136 HG2 ARG 22 1HG ARG 22 -1.664 10.751 -3.435 137 HG3 ARG 22 2HG ARG 22 -2.875 10.911 -4.708 138 HD2 ARG 22 1HD ARG 22 -0.938 11.937 -5.560 139 HD3 ARG 22 2HD ARG 22 -1.985 13.263 -5.054 140 HE ARG 22 HE ARG 22 -0.080 12.414 -3.062 141 HH11 ARG 22 1HH1 ARG 22 -0.694 14.522 -5.764 142 HH12 ARG 22 2HH1 ARG 22 0.517 15.674 -5.308 143 HH21 ARG 22 1HH2 ARG 22 1.517 13.924 -2.451 144 HH22 ARG 22 2HH2 ARG 22 1.775 15.333 -3.423 145 H HIS 23 H HIS 23 -3.870 9.369 -4.079 146 HA HIS 23 HA HIS 23 -6.484 9.677 -5.404 147 HB2 HIS 23 1HB HIS 23 -3.746 9.430 -6.547 148 HB3 HIS 23 2HB HIS 23 -5.059 8.622 -7.399 149 HD2 HIS 23 HD2 HIS 23 -4.782 12.304 -5.932 150 HE1 HIS 23 HE1 HIS 23 -6.317 12.428 -9.885 151 HE2 HIS 23 HE2 HIS 23 -5.584 13.786 -7.895 152 H LEU 24 H LEU 24 -7.183 7.679 -6.576 153 HA LEU 24 HA LEU 24 -6.980 5.431 -4.793 154 HB2 LEU 24 1HB LEU 24 -9.092 6.097 -5.892 155 HB3 LEU 24 2HB LEU 24 -8.391 5.656 -7.447 156 HG LEU 24 HG LEU 24 -9.896 3.924 -6.693 157 HD11 LEU 24 1HD1 LEU 24 -7.634 3.424 -7.820 158 HD12 LEU 24 2HD1 LEU 24 -8.527 2.092 -7.089 159 HD13 LEU 24 3HD1 LEU 24 -7.157 2.806 -6.239 160 HD21 LEU 24 3HD2 LEU 24 -8.623 2.722 -4.534 161 HD22 LEU 24 1HD2 LEU 24 -10.146 3.610 -4.506 162 HD23 LEU 24 2HD2 LEU 24 -8.634 4.443 -4.146 163 H GLN 25 H GLN 25 -6.533 5.683 -8.326 164 HA GLN 25 HA GLN 25 -5.428 3.344 -8.970 165 HB2 GLN 25 1HB GLN 25 -4.022 4.490 -10.638 166 HB3 GLN 25 2HB GLN 25 -5.652 5.146 -10.585 167 HG2 GLN 25 1HG GLN 25 -4.888 7.050 -9.315 168 HG3 GLN 25 2HG GLN 25 -3.261 6.376 -9.235 169 HE21 GLN 25 1HE2 GLN 25 -1.877 7.118 -10.665 170 HE22 GLN 25 2HE2 GLN 25 -2.268 7.833 -12.189 171 H THR 26 H THR 26 -3.722 5.923 -7.260 172 HA THR 26 HA THR 26 -1.194 4.649 -7.206 173 HB THR 26 HB THR 26 -2.316 6.721 -5.309 174 HG1 THR 26 HG1 THR 26 -1.905 8.083 -6.869 175 HG21 THR 26 3HG2 THR 26 0.560 6.698 -5.755 176 HG22 THR 26 1HG2 THR 26 -0.020 5.210 -5.008 177 HG23 THR 26 2HG2 THR 26 -0.347 6.766 -4.244 178 H LEU 27 H LEU 27 -3.865 4.774 -4.872 179 HA LEU 27 HA LEU 27 -2.671 3.391 -2.779 180 HB2 LEU 27 1HB LEU 27 -4.725 4.423 -2.339 181 HB3 LEU 27 2HB LEU 27 -5.514 3.630 -3.701 182 HG LEU 27 HG LEU 27 -5.496 1.512 -2.499 183 HD11 LEU 27 1HD1 LEU 27 -4.780 1.399 -0.170 184 HD12 LEU 27 2HD1 LEU 27 -4.222 3.070 -0.253 185 HD13 LEU 27 3HD1 LEU 27 -3.438 1.829 -1.230 186 HD21 LEU 27 3HD2 LEU 27 -7.479 2.204 -1.779 187 HD22 LEU 27 1HD2 LEU 27 -6.920 3.875 -1.699 188 HD23 LEU 27 2HD2 LEU 27 -6.692 2.802 -0.317 189 H LYS 28 H LYS 28 -4.568 2.114 -5.501 190 HA LYS 28 HA LYS 28 -4.598 -0.563 -4.845 191 HB2 LYS 28 1HB LYS 28 -4.556 0.900 -7.458 192 HB3 LYS 28 2HB LYS 28 -4.457 -0.856 -7.448 193 HG2 LYS 28 1HG LYS 28 -6.578 -1.063 -6.423 194 HG3 LYS 28 2HG LYS 28 -6.642 0.661 -6.051 195 HD2 LYS 28 1HD LYS 28 -7.063 1.249 -8.258 196 HD3 LYS 28 2HD LYS 28 -6.417 -0.267 -8.889 197 HE2 LYS 28 1HE LYS 28 -8.355 -1.429 -7.792 198 HE3 LYS 28 2HE LYS 28 -9.026 0.164 -7.444 199 HZ1 LYS 28 3HZ LYS 28 -8.974 0.615 -9.853 200 HZ2 LYS 28 1HZ LYS 28 -9.989 -0.677 -9.451 201 HZ3 LYS 28 2HZ LYS 28 -8.468 -0.975 -10.129 202 H SER 29 H SER 29 -1.959 1.369 -6.047 203 HA SER 29 HA SER 29 -0.291 -0.911 -6.656 204 HB2 SER 29 1HB SER 29 -0.254 1.455 -7.760 205 HB3 SER 29 2HB SER 29 0.746 1.894 -6.375 206 HG SER 29 HG SER 29 1.504 0.679 -8.585 207 H HIS 30 H HIS 30 -0.992 1.054 -3.929 208 HA HIS 30 HA HIS 30 1.457 0.624 -2.519 209 HB2 HIS 30 1HB HIS 30 0.414 2.466 -1.648 210 HB3 HIS 30 2HB HIS 30 -1.199 1.806 -1.902 211 HD1 HIS 30 HD1 HIS 30 1.757 1.297 0.432 212 HD2 HIS 30 HD2 HIS 30 -2.378 0.891 0.363 213 HE1 HIS 30 HE1 HIS 30 1.104 0.660 2.776 214 H LEU 31 H LEU 31 -1.347 -1.250 -3.087 215 HA LEU 31 HA LEU 31 -1.243 -2.857 -0.732 216 HB2 LEU 31 1HB LEU 31 -2.395 -3.838 -3.303 217 HB3 LEU 31 2HB LEU 31 -2.962 -4.092 -1.654 218 HG LEU 31 HG LEU 31 -3.348 -1.696 -3.423 219 HD11 LEU 31 1HD1 LEU 31 -5.722 -2.119 -2.450 220 HD12 LEU 31 2HD1 LEU 31 -5.085 -3.722 -2.085 221 HD13 LEU 31 3HD1 LEU 31 -5.111 -3.142 -3.750 222 HD21 LEU 31 3HD2 LEU 31 -4.462 -0.696 -1.362 223 HD22 LEU 31 1HD2 LEU 31 -2.699 -0.669 -1.415 224 HD23 LEU 31 2HD2 LEU 31 -3.533 -1.871 -0.430 225 H ARG 32 H ARG 32 0.852 -2.594 -3.269 226 HA ARG 32 HA ARG 32 1.485 -5.315 -3.784 227 HB2 ARG 32 1HB ARG 32 2.732 -2.678 -4.362 228 HB3 ARG 32 2HB ARG 32 3.772 -4.093 -4.436 229 HG2 ARG 32 1HG ARG 32 2.968 -3.706 -6.626 230 HG3 ARG 32 2HG ARG 32 2.106 -5.116 -6.007 231 HD2 ARG 32 1HD ARG 32 0.263 -3.509 -5.328 232 HD3 ARG 32 2HD ARG 32 1.097 -2.298 -6.301 233 HE ARG 32 HE ARG 32 -0.465 -4.516 -7.255 234 HH11 ARG 32 1HH1 ARG 32 2.067 -2.251 -8.019 235 HH12 ARG 32 2HH1 ARG 32 1.835 -2.370 -9.732 236 HH21 ARG 32 1HH2 ARG 32 -0.779 -4.681 -9.509 237 HH22 ARG 32 2HH2 ARG 32 0.215 -3.752 -10.578 238 H ILE 33 H ILE 33 2.766 -2.890 -1.552 239 HA ILE 33 HA ILE 33 4.873 -4.523 -0.556 240 HB ILE 33 HB ILE 33 5.193 -2.868 1.135 241 HG12 ILE 33 1HG1 ILE 33 2.636 -1.487 0.361 242 HG13 ILE 33 2HG1 ILE 33 2.647 -2.744 1.594 243 HG21 ILE 33 1HG2 ILE 33 6.071 -1.950 -0.764 244 HG22 ILE 33 2HG2 ILE 33 4.519 -1.916 -1.598 245 HG23 ILE 33 3HG2 ILE 33 4.879 -0.715 -0.358 246 HD11 ILE 33 3HD1 ILE 33 4.010 -0.075 1.641 247 HD12 ILE 33 1HD1 ILE 33 2.798 -0.715 2.751 248 HD13 ILE 33 2HD1 ILE 33 4.435 -1.374 2.756 249 H HIS 34 H HIS 34 1.541 -4.639 -0.132 250 HA HIS 34 HA HIS 34 1.609 -5.688 2.573 251 HB2 HIS 34 1HB HIS 34 -0.583 -5.159 0.582 252 HB3 HIS 34 2HB HIS 34 -0.888 -6.096 2.041 253 HD1 HIS 34 HD1 HIS 34 0.683 -4.461 4.092 254 HD2 HIS 34 HD2 HIS 34 -1.755 -2.782 1.177 255 HE1 HIS 34 HE1 HIS 34 0.048 -2.193 4.972 256 H THR 35 H THR 35 0.063 -6.989 -0.358 257 HA THR 35 HA THR 35 0.186 -9.665 0.527 258 HB THR 35 HB THR 35 -1.469 -9.049 -1.107 259 HG1 THR 35 HG1 THR 35 -0.801 -10.631 -2.828 260 HG21 THR 35 3HG2 THR 35 -0.892 -8.393 -3.384 261 HG22 THR 35 1HG2 THR 35 0.824 -8.470 -2.986 262 HG23 THR 35 2HG2 THR 35 -0.205 -7.258 -2.222 263 H GLY 36 H GLY 36 2.279 -7.749 -1.577 264 HA2 GLY 36 1HA GLY 36 4.374 -8.156 -2.422 265 HA3 GLY 36 2HA GLY 36 4.602 -9.170 -1.006 266 H SER 37 H SER 37 3.205 -9.179 -4.267 267 HA SER 37 HA SER 37 3.797 -12.063 -4.409 268 HB2 SER 37 1HB SER 37 1.595 -10.432 -5.663 269 HB3 SER 37 2HB SER 37 2.049 -12.013 -6.299 270 HG SER 37 HG SER 37 0.800 -12.778 -4.802 271 H GLY 38 H GLY 38 3.440 -9.213 -6.533 272 HA2 GLY 38 1HA GLY 38 5.580 -10.334 -8.225 273 HA3 GLY 38 2HA GLY 38 4.343 -9.215 -8.779 274 HA PRO 39 HA PRO 39 7.317 -6.008 -8.302 275 HB2 PRO 39 1HB PRO 39 5.626 -3.883 -8.317 276 HB3 PRO 39 2HB PRO 39 6.025 -4.804 -9.772 277 HG2 PRO 39 1HG PRO 39 3.611 -4.995 -8.012 278 HG3 PRO 39 2HG PRO 39 3.709 -5.012 -9.783 279 HD2 PRO 39 1HD PRO 39 3.418 -7.271 -8.319 280 HD3 PRO 39 2HD PRO 39 4.308 -7.237 -9.854 281 H SER 40 H SER 40 8.251 -4.864 -6.675 282 HA SER 40 HA SER 40 8.689 -4.147 -4.561 283 HB2 SER 40 1HB SER 40 5.710 -3.605 -4.504 284 HB3 SER 40 2HB SER 40 6.901 -2.935 -3.389 285 HG SER 40 HG SER 40 7.926 -2.103 -5.408 286 H SER 41 H SER 41 8.522 -6.850 -4.756 287 HA SER 41 HA SER 41 6.727 -7.973 -2.827 288 HB2 SER 41 1HB SER 41 8.949 -8.990 -4.535 289 HB3 SER 41 2HB SER 41 8.502 -9.941 -3.120 290 HG SER 41 HG SER 41 6.680 -9.062 -5.111 291 H GLY 42 H GLY 42 7.615 -9.324 -0.984 292 HA2 GLY 42 1HA GLY 42 9.422 -7.620 0.566 293 HA3 GLY 42 2HA GLY 42 8.364 -8.865 1.213 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -20.076 24.999 -7.690 2 HA2 GLY 1 1HA GLY 1 -22.763 24.233 -6.731 3 HA3 GLY 1 2HA GLY 1 -21.507 23.082 -7.165 4 H SER 2 H SER 2 -23.018 23.418 -4.654 5 HA SER 2 HA SER 2 -20.787 24.021 -2.827 6 HB2 SER 2 1HB SER 2 -23.774 24.095 -2.349 7 HB3 SER 2 2HB SER 2 -22.565 24.302 -1.082 8 HG SER 2 HG SER 2 -22.309 25.905 -3.339 9 H SER 3 H SER 3 -23.592 21.858 -3.203 10 HA SER 3 HA SER 3 -23.128 20.047 -1.218 11 HB2 SER 3 1HB SER 3 -24.289 18.388 -2.584 12 HB3 SER 3 2HB SER 3 -25.060 19.964 -2.766 13 HG SER 3 HG SER 3 -24.124 18.417 -4.670 14 H GLY 4 H GLY 4 -21.642 20.052 -4.445 15 HA2 GLY 4 1HA GLY 4 -20.193 17.706 -4.317 16 HA3 GLY 4 2HA GLY 4 -19.665 19.142 -5.183 17 H SER 5 H SER 5 -17.846 17.412 -4.036 18 HA SER 5 HA SER 5 -16.969 18.752 -1.577 19 HB2 SER 5 1HB SER 5 -15.354 16.823 -1.426 20 HB3 SER 5 2HB SER 5 -17.054 16.362 -1.347 21 HG SER 5 HG SER 5 -15.443 16.278 -3.684 22 H SER 6 H SER 6 -16.011 20.608 -2.313 23 HA SER 6 HA SER 6 -14.323 20.795 -4.556 24 HB2 SER 6 1HB SER 6 -15.470 22.701 -3.313 25 HB3 SER 6 2HB SER 6 -14.170 22.584 -2.128 26 HG SER 6 HG SER 6 -14.026 24.068 -4.121 27 H GLY 7 H GLY 7 -13.452 20.799 -1.091 28 HA2 GLY 7 1HA GLY 7 -10.665 20.453 -1.644 29 HA3 GLY 7 2HA GLY 7 -11.433 20.363 -0.065 30 H GLY 8 H GLY 8 -9.697 18.612 0.031 31 HA2 GLY 8 1HA GLY 8 -10.744 16.139 0.345 32 HA3 GLY 8 2HA GLY 8 -10.313 16.154 -1.359 33 H GLU 9 H GLU 9 -9.241 14.499 0.791 34 HA GLU 9 HA GLU 9 -6.464 14.802 0.167 35 HB2 GLU 9 1HB GLU 9 -5.732 14.969 2.565 36 HB3 GLU 9 2HB GLU 9 -6.469 16.427 1.916 37 HG2 GLU 9 1HG GLU 9 -8.615 15.710 2.982 38 HG3 GLU 9 2HG GLU 9 -7.714 14.418 3.772 39 H LYS 10 H LYS 10 -6.049 12.756 -0.334 40 HA LYS 10 HA LYS 10 -6.022 10.474 -0.289 41 HB2 LYS 10 1HB LYS 10 -5.972 10.742 2.710 42 HB3 LYS 10 2HB LYS 10 -5.200 9.516 1.713 43 HG2 LYS 10 1HG LYS 10 -3.434 10.850 1.188 44 HG3 LYS 10 2HG LYS 10 -4.376 12.338 1.316 45 HD2 LYS 10 1HD LYS 10 -3.121 12.533 3.211 46 HD3 LYS 10 2HD LYS 10 -4.477 11.611 3.865 47 HE2 LYS 10 1HE LYS 10 -2.195 10.105 2.700 48 HE3 LYS 10 2HE LYS 10 -1.956 10.886 4.262 49 HZ1 LYS 10 3HZ LYS 10 -3.498 8.553 3.600 50 HZ2 LYS 10 1HZ LYS 10 -4.348 9.661 4.555 51 HZ3 LYS 10 2HZ LYS 10 -2.867 9.044 5.091 52 HA PRO 11 HA PRO 11 -10.542 10.362 1.123 53 HB2 PRO 11 1HB PRO 11 -11.665 10.333 -1.348 54 HB3 PRO 11 2HB PRO 11 -11.330 11.826 -0.463 55 HG2 PRO 11 1HG PRO 11 -9.748 10.520 -2.643 56 HG3 PRO 11 2HG PRO 11 -10.136 12.236 -2.416 57 HD2 PRO 11 1HD PRO 11 -7.732 11.184 -1.745 58 HD3 PRO 11 2HD PRO 11 -8.463 12.536 -0.858 59 H TYR 12 H TYR 12 -8.262 8.514 -0.350 60 HA TYR 12 HA TYR 12 -10.094 6.224 -0.650 61 HB2 TYR 12 1HB TYR 12 -7.468 6.756 -2.054 62 HB3 TYR 12 2HB TYR 12 -8.388 5.261 -2.188 63 HD1 TYR 12 HD1 TYR 12 -8.457 8.886 -2.931 64 HD2 TYR 12 HD2 TYR 12 -10.234 5.090 -3.663 65 HE1 TYR 12 HE1 TYR 12 -9.750 9.855 -4.785 66 HE2 TYR 12 HE2 TYR 12 -11.531 6.049 -5.520 67 HH TYR 12 HH TYR 12 -11.337 9.504 -6.305 68 HA PRO 13 HA PRO 13 -7.481 5.249 2.997 69 HB2 PRO 13 1HB PRO 13 -9.425 3.846 4.270 70 HB3 PRO 13 2HB PRO 13 -9.287 5.605 4.372 71 HG2 PRO 13 1HG PRO 13 -11.090 3.943 2.654 72 HG3 PRO 13 2HG PRO 13 -11.462 5.415 3.570 73 HD2 PRO 13 1HD PRO 13 -11.000 5.438 0.903 74 HD3 PRO 13 2HD PRO 13 -10.564 6.797 1.959 75 H CYS 14 H CYS 14 -6.250 3.470 3.195 76 HA CYS 14 HA CYS 14 -6.431 1.362 1.328 77 HB2 CYS 14 1HB CYS 14 -4.277 1.903 2.185 78 HB3 CYS 14 2HB CYS 14 -4.815 1.713 3.851 79 H GLU 15 H GLU 15 -6.580 -0.958 1.878 80 HA GLU 15 HA GLU 15 -8.767 -1.392 3.788 81 HB2 GLU 15 1HB GLU 15 -9.171 -3.489 2.542 82 HB3 GLU 15 2HB GLU 15 -9.282 -2.064 1.518 83 HG2 GLU 15 1HG GLU 15 -7.266 -2.527 0.445 84 HG3 GLU 15 2HG GLU 15 -6.747 -3.643 1.707 85 H ILE 16 H ILE 16 -5.579 -2.564 2.851 86 HA ILE 16 HA ILE 16 -5.443 -4.739 4.637 87 HB ILE 16 HB ILE 16 -3.180 -3.067 3.539 88 HG12 ILE 16 1HG1 ILE 16 -3.098 -5.340 2.114 89 HG13 ILE 16 2HG1 ILE 16 -4.826 -5.287 2.443 90 HG21 ILE 16 1HG2 ILE 16 -2.006 -5.379 3.899 91 HG22 ILE 16 2HG2 ILE 16 -2.162 -4.237 5.232 92 HG23 ILE 16 3HG2 ILE 16 -3.273 -5.601 5.105 93 HD11 ILE 16 3HD1 ILE 16 -5.036 -3.931 0.712 94 HD12 ILE 16 1HD1 ILE 16 -4.146 -2.709 1.619 95 HD13 ILE 16 2HD1 ILE 16 -3.286 -3.804 0.536 96 H CYS 17 H CYS 17 -3.559 -1.729 4.925 97 HA CYS 17 HA CYS 17 -3.560 -2.055 7.826 98 HB2 CYS 17 1HB CYS 17 -1.829 -0.308 7.813 99 HB3 CYS 17 2HB CYS 17 -1.410 -1.636 6.737 100 H GLY 18 H GLY 18 -4.346 0.418 5.392 101 HA2 GLY 18 1HA GLY 18 -6.616 1.461 5.958 102 HA3 GLY 18 2HA GLY 18 -5.833 1.884 7.474 103 H THR 19 H THR 19 -3.256 2.368 6.059 104 HA THR 19 HA THR 19 -3.214 5.064 5.869 105 HB THR 19 HB THR 19 -1.648 3.061 4.248 106 HG1 THR 19 HG1 THR 19 -0.347 3.137 5.924 107 HG21 THR 19 3HG2 THR 19 -0.076 5.150 4.020 108 HG22 THR 19 1HG2 THR 19 -1.586 6.047 4.183 109 HG23 THR 19 2HG2 THR 19 -1.385 4.890 2.867 110 H ARG 20 H ARG 20 -4.205 6.542 4.672 111 HA ARG 20 HA ARG 20 -5.677 5.754 2.311 112 HB2 ARG 20 1HB ARG 20 -5.397 8.538 3.439 113 HB3 ARG 20 2HB ARG 20 -6.670 7.923 2.392 114 HG2 ARG 20 1HG ARG 20 -7.768 6.891 4.096 115 HG3 ARG 20 2HG ARG 20 -6.293 6.610 5.024 116 HD2 ARG 20 1HD ARG 20 -7.359 9.380 4.604 117 HD3 ARG 20 2HD ARG 20 -7.987 8.350 5.889 118 HE ARG 20 HE ARG 20 -5.109 8.634 5.831 119 HH11 ARG 20 1HH1 ARG 20 -8.130 9.814 7.098 120 HH12 ARG 20 2HH1 ARG 20 -7.406 10.566 8.481 121 HH21 ARG 20 1HH2 ARG 20 -4.144 9.620 7.647 122 HH22 ARG 20 2HH2 ARG 20 -5.139 10.455 8.792 123 H PHE 21 H PHE 21 -5.606 7.341 0.400 124 HA PHE 21 HA PHE 21 -2.937 8.383 -0.134 125 HB2 PHE 21 1HB PHE 21 -4.254 6.221 -1.784 126 HB3 PHE 21 2HB PHE 21 -2.901 7.191 -2.357 127 HD1 PHE 21 HD2 PHE 21 -3.894 4.956 0.447 128 HD2 PHE 21 HD1 PHE 21 -0.739 6.481 -1.970 129 HE1 PHE 21 HE2 PHE 21 -2.325 3.388 1.512 130 HE2 PHE 21 HE1 PHE 21 0.835 4.915 -0.909 131 HZ PHE 21 HZ PHE 21 0.043 3.367 0.835 132 H ARG 22 H ARG 22 -2.953 10.153 -1.412 133 HA ARG 22 HA ARG 22 -5.093 11.745 -1.785 134 HB2 ARG 22 1HB ARG 22 -2.569 11.425 -3.351 135 HB3 ARG 22 2HB ARG 22 -3.808 12.511 -3.963 136 HG2 ARG 22 1HG ARG 22 -3.766 13.683 -1.763 137 HG3 ARG 22 2HG ARG 22 -2.387 12.676 -1.318 138 HD2 ARG 22 1HD ARG 22 -0.983 13.696 -2.831 139 HD3 ARG 22 2HD ARG 22 -2.308 14.197 -3.881 140 HE ARG 22 HE ARG 22 -2.642 15.592 -1.530 141 HH11 ARG 22 1HH1 ARG 22 -0.176 15.296 -3.969 142 HH12 ARG 22 2HH1 ARG 22 0.417 16.909 -3.751 143 HH21 ARG 22 1HH2 ARG 22 -1.871 17.718 -1.233 144 HH22 ARG 22 2HH2 ARG 22 -0.547 18.286 -2.194 145 H HIS 23 H HIS 23 -3.888 9.517 -4.298 146 HA HIS 23 HA HIS 23 -6.594 9.536 -5.467 147 HB2 HIS 23 1HB HIS 23 -3.885 9.487 -6.760 148 HB3 HIS 23 2HB HIS 23 -5.280 8.813 -7.599 149 HD2 HIS 23 HD2 HIS 23 -5.280 12.214 -5.594 150 HE1 HIS 23 HE1 HIS 23 -6.217 12.966 -9.663 151 HE2 HIS 23 HE2 HIS 23 -5.900 13.980 -7.380 152 H LEU 24 H LEU 24 -7.312 7.553 -6.454 153 HA LEU 24 HA LEU 24 -6.738 5.272 -4.863 154 HB2 LEU 24 1HB LEU 24 -8.925 5.862 -6.005 155 HB3 LEU 24 2HB LEU 24 -8.191 5.272 -7.495 156 HG LEU 24 HG LEU 24 -8.046 3.046 -6.616 157 HD11 LEU 24 1HD1 LEU 24 -8.353 4.413 -4.074 158 HD12 LEU 24 2HD1 LEU 24 -7.672 2.826 -4.433 159 HD13 LEU 24 3HD1 LEU 24 -9.413 3.012 -4.223 160 HD21 LEU 24 3HD2 LEU 24 -10.679 4.437 -6.318 161 HD22 LEU 24 1HD2 LEU 24 -10.531 2.713 -5.980 162 HD23 LEU 24 2HD2 LEU 24 -10.134 3.334 -7.582 163 H GLN 25 H GLN 25 -6.185 5.954 -8.318 164 HA GLN 25 HA GLN 25 -4.980 3.702 -9.181 165 HB2 GLN 25 1HB GLN 25 -3.567 5.121 -10.657 166 HB3 GLN 25 2HB GLN 25 -5.261 5.593 -10.648 167 HG2 GLN 25 1HG GLN 25 -4.855 7.562 -9.567 168 HG3 GLN 25 2HG GLN 25 -3.405 6.953 -8.770 169 HE21 GLN 25 1HE2 GLN 25 -2.425 8.949 -9.437 170 HE22 GLN 25 2HE2 GLN 25 -1.805 9.110 -11.041 171 H THR 26 H THR 26 -3.717 5.909 -6.830 172 HA THR 26 HA THR 26 -1.042 4.789 -6.921 173 HB THR 26 HB THR 26 -2.226 6.772 -4.968 174 HG1 THR 26 HG1 THR 26 -1.881 7.236 -7.406 175 HG21 THR 26 3HG2 THR 26 -0.267 6.784 -3.890 176 HG22 THR 26 1HG2 THR 26 0.645 6.850 -5.397 177 HG23 THR 26 2HG2 THR 26 0.113 5.296 -4.756 178 H LEU 27 H LEU 27 -3.849 4.757 -4.764 179 HA LEU 27 HA LEU 27 -2.725 3.334 -2.642 180 HB2 LEU 27 1HB LEU 27 -4.840 4.392 -2.369 181 HB3 LEU 27 2HB LEU 27 -5.544 3.457 -3.686 182 HG LEU 27 HG LEU 27 -5.517 1.456 -2.350 183 HD11 LEU 27 1HD1 LEU 27 -3.393 1.965 -1.164 184 HD12 LEU 27 2HD1 LEU 27 -4.674 1.366 -0.111 185 HD13 LEU 27 3HD1 LEU 27 -4.286 3.086 -0.136 186 HD21 LEU 27 3HD2 LEU 27 -6.708 2.702 -0.205 187 HD22 LEU 27 1HD2 LEU 27 -7.501 2.258 -1.717 188 HD23 LEU 27 2HD2 LEU 27 -6.869 3.890 -1.500 189 H LYS 28 H LYS 28 -4.456 2.146 -5.509 190 HA LYS 28 HA LYS 28 -4.480 -0.559 -4.941 191 HB2 LYS 28 1HB LYS 28 -4.242 0.913 -7.560 192 HB3 LYS 28 2HB LYS 28 -4.376 -0.839 -7.481 193 HG2 LYS 28 1HG LYS 28 -6.531 -0.675 -6.420 194 HG3 LYS 28 2HG LYS 28 -6.389 1.083 -6.332 195 HD2 LYS 28 1HD LYS 28 -6.368 -0.474 -8.913 196 HD3 LYS 28 2HD LYS 28 -7.823 0.232 -8.205 197 HE2 LYS 28 1HE LYS 28 -6.801 2.450 -8.317 198 HE3 LYS 28 2HE LYS 28 -5.340 1.747 -9.009 199 HZ1 LYS 28 3HZ LYS 28 -6.718 2.676 -10.735 200 HZ2 LYS 28 1HZ LYS 28 -8.040 1.739 -10.246 201 HZ3 LYS 28 2HZ LYS 28 -6.670 0.993 -10.902 202 H SER 29 H SER 29 -1.852 1.442 -6.105 203 HA SER 29 HA SER 29 -0.124 -0.794 -6.673 204 HB2 SER 29 1HB SER 29 0.009 1.393 -7.893 205 HB3 SER 29 2HB SER 29 0.616 2.129 -6.410 206 HG SER 29 HG SER 29 2.385 0.700 -6.505 207 H HIS 30 H HIS 30 -0.969 1.048 -3.923 208 HA HIS 30 HA HIS 30 1.470 0.676 -2.464 209 HB2 HIS 30 1HB HIS 30 0.356 2.477 -1.592 210 HB3 HIS 30 2HB HIS 30 -1.232 1.776 -1.888 211 HD1 HIS 30 HD1 HIS 30 1.703 1.212 0.470 212 HD2 HIS 30 HD2 HIS 30 -2.438 0.891 0.364 213 HE1 HIS 30 HE1 HIS 30 1.020 0.544 2.796 214 H LEU 31 H LEU 31 -1.563 -1.049 -2.788 215 HA LEU 31 HA LEU 31 -1.301 -2.765 -0.576 216 HB2 LEU 31 1HB LEU 31 -2.590 -3.661 -3.117 217 HB3 LEU 31 2HB LEU 31 -3.078 -3.962 -1.450 218 HG LEU 31 HG LEU 31 -3.512 -1.499 -3.114 219 HD11 LEU 31 1HD1 LEU 31 -5.774 -2.219 -1.643 220 HD12 LEU 31 2HD1 LEU 31 -5.096 -3.734 -2.238 221 HD13 LEU 31 3HD1 LEU 31 -5.502 -2.445 -3.371 222 HD21 LEU 31 3HD2 LEU 31 -4.485 -0.515 -1.011 223 HD22 LEU 31 1HD2 LEU 31 -2.724 -0.613 -1.060 224 HD23 LEU 31 2HD2 LEU 31 -3.646 -1.787 -0.120 225 H ARG 32 H ARG 32 0.620 -2.515 -3.280 226 HA ARG 32 HA ARG 32 1.191 -5.194 -3.910 227 HB2 ARG 32 1HB ARG 32 2.627 -2.595 -4.262 228 HB3 ARG 32 2HB ARG 32 3.494 -4.095 -4.567 229 HG2 ARG 32 1HG ARG 32 2.497 -3.084 -6.593 230 HG3 ARG 32 2HG ARG 32 1.932 -4.725 -6.269 231 HD2 ARG 32 1HD ARG 32 0.363 -2.456 -5.162 232 HD3 ARG 32 2HD ARG 32 0.266 -2.763 -6.896 233 HE ARG 32 HE ARG 32 -0.799 -4.406 -4.771 234 HH11 ARG 32 1HH1 ARG 32 0.144 -4.235 -8.118 235 HH12 ARG 32 2HH1 ARG 32 -0.847 -5.571 -8.600 236 HH21 ARG 32 1HH2 ARG 32 -2.109 -6.166 -5.394 237 HH22 ARG 32 2HH2 ARG 32 -2.129 -6.668 -7.051 238 H ILE 33 H ILE 33 2.614 -2.980 -1.544 239 HA ILE 33 HA ILE 33 4.637 -4.788 -0.679 240 HB ILE 33 HB ILE 33 5.107 -3.248 1.066 241 HG12 ILE 33 1HG1 ILE 33 2.482 -1.860 0.505 242 HG13 ILE 33 2HG1 ILE 33 2.703 -3.034 1.798 243 HG21 ILE 33 1HG2 ILE 33 5.958 -2.161 -0.724 244 HG22 ILE 33 2HG2 ILE 33 4.423 -2.161 -1.590 245 HG23 ILE 33 3HG2 ILE 33 4.714 -0.980 -0.314 246 HD11 ILE 33 3HD1 ILE 33 3.488 -0.228 1.647 247 HD12 ILE 33 1HD1 ILE 33 3.163 -1.247 3.049 248 HD13 ILE 33 2HD1 ILE 33 4.744 -1.298 2.269 249 H HIS 34 H HIS 34 1.287 -4.469 -0.007 250 HA HIS 34 HA HIS 34 1.335 -5.744 2.565 251 HB2 HIS 34 1HB HIS 34 -0.836 -4.970 0.637 252 HB3 HIS 34 2HB HIS 34 -1.196 -5.978 2.035 253 HD1 HIS 34 HD1 HIS 34 0.404 -4.621 4.214 254 HD2 HIS 34 HD2 HIS 34 -1.763 -2.529 1.352 255 HE1 HIS 34 HE1 HIS 34 -0.056 -2.368 5.233 256 H THR 35 H THR 35 0.612 -6.753 -0.751 257 HA THR 35 HA THR 35 0.851 -9.550 0.141 258 HB THR 35 HB THR 35 -1.510 -8.982 -0.401 259 HG1 THR 35 HG1 THR 35 -0.048 -10.874 -1.906 260 HG21 THR 35 3HG2 THR 35 -0.598 -8.726 -3.258 261 HG22 THR 35 1HG2 THR 35 -0.853 -7.327 -2.217 262 HG23 THR 35 2HG2 THR 35 -2.198 -8.406 -2.590 263 H GLY 36 H GLY 36 2.576 -10.477 -0.738 264 HA2 GLY 36 1HA GLY 36 3.086 -10.665 -3.467 265 HA3 GLY 36 2HA GLY 36 4.050 -9.325 -2.865 266 H SER 37 H SER 37 3.556 -12.776 -2.787 267 HA SER 37 HA SER 37 5.978 -13.124 -1.170 268 HB2 SER 37 1HB SER 37 3.775 -14.354 -0.663 269 HB3 SER 37 2HB SER 37 4.146 -15.339 -2.078 270 HG SER 37 HG SER 37 5.489 -15.168 0.380 271 H GLY 38 H GLY 38 7.850 -13.629 -2.096 272 HA2 GLY 38 1HA GLY 38 9.124 -15.059 -3.572 273 HA3 GLY 38 2HA GLY 38 7.803 -14.960 -4.727 274 HA PRO 39 HA PRO 39 11.177 -11.572 -5.272 275 HB2 PRO 39 1HB PRO 39 12.890 -12.820 -6.969 276 HB3 PRO 39 2HB PRO 39 13.089 -12.843 -5.213 277 HG2 PRO 39 1HG PRO 39 11.916 -14.927 -7.014 278 HG3 PRO 39 2HG PRO 39 13.025 -15.128 -5.644 279 HD2 PRO 39 1HD PRO 39 10.364 -15.585 -5.444 280 HD3 PRO 39 2HD PRO 39 11.331 -14.970 -4.089 281 H SER 40 H SER 40 9.546 -10.532 -6.441 282 HA SER 40 HA SER 40 9.048 -11.425 -9.182 283 HB2 SER 40 1HB SER 40 7.700 -9.243 -7.573 284 HB3 SER 40 2HB SER 40 7.207 -9.796 -9.173 285 HG SER 40 HG SER 40 6.239 -10.710 -7.048 286 H SER 41 H SER 41 9.744 -8.351 -7.509 287 HA SER 41 HA SER 41 11.542 -7.616 -9.692 288 HB2 SER 41 1HB SER 41 9.211 -6.693 -10.139 289 HB3 SER 41 2HB SER 41 9.442 -5.677 -8.717 290 HG SER 41 HG SER 41 10.358 -4.379 -10.096 291 H GLY 42 H GLY 42 13.395 -7.380 -8.608 292 HA2 GLY 42 1HA GLY 42 14.257 -5.322 -7.189 293 HA3 GLY 42 2HA GLY 42 13.380 -6.192 -5.939 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.548 14.933 16.656 2 HA2 GLY 1 1HA GLY 1 2.234 16.801 15.521 3 HA3 GLY 1 2HA GLY 1 3.842 16.517 14.871 4 H SER 2 H SER 2 3.132 17.386 12.863 5 HA SER 2 HA SER 2 1.843 15.377 11.188 6 HB2 SER 2 1HB SER 2 0.910 18.257 11.242 7 HB3 SER 2 2HB SER 2 0.307 16.986 10.179 8 HG SER 2 HG SER 2 -0.283 17.509 12.809 9 H SER 3 H SER 3 3.316 15.007 9.674 10 HA SER 3 HA SER 3 4.656 17.320 8.434 11 HB2 SER 3 1HB SER 3 5.789 14.693 9.336 12 HB3 SER 3 2HB SER 3 6.529 15.546 7.982 13 HG SER 3 HG SER 3 6.309 17.404 9.677 14 H GLY 4 H GLY 4 4.016 17.560 6.403 15 HA2 GLY 4 1HA GLY 4 4.304 15.765 4.354 16 HA3 GLY 4 2HA GLY 4 2.687 15.461 4.970 17 H SER 5 H SER 5 4.746 18.209 4.011 18 HA SER 5 HA SER 5 2.772 20.077 3.554 19 HB2 SER 5 1HB SER 5 5.384 19.656 2.089 20 HB3 SER 5 2HB SER 5 4.371 21.085 1.890 21 HG SER 5 HG SER 5 4.576 21.044 4.378 22 H SER 6 H SER 6 4.270 18.043 1.032 23 HA SER 6 HA SER 6 2.492 18.708 -1.011 24 HB2 SER 6 1HB SER 6 4.305 16.367 -0.523 25 HB3 SER 6 2HB SER 6 3.205 16.351 -1.901 26 HG SER 6 HG SER 6 4.453 17.726 -2.877 27 H GLY 7 H GLY 7 2.425 15.943 1.231 28 HA2 GLY 7 1HA GLY 7 0.220 14.595 0.291 29 HA3 GLY 7 2HA GLY 7 0.657 14.684 1.991 30 H GLY 8 H GLY 8 -1.696 15.402 -0.273 31 HA2 GLY 8 1HA GLY 8 -2.840 17.594 1.304 32 HA3 GLY 8 2HA GLY 8 -3.371 17.085 -0.292 33 H GLU 9 H GLU 9 -5.206 15.978 -0.383 34 HA GLU 9 HA GLU 9 -6.211 14.764 2.099 35 HB2 GLU 9 1HB GLU 9 -7.563 16.000 -0.272 36 HB3 GLU 9 2HB GLU 9 -8.425 14.821 0.707 37 HG2 GLU 9 1HG GLU 9 -9.039 16.900 1.574 38 HG3 GLU 9 2HG GLU 9 -7.841 16.270 2.704 39 H LYS 10 H LYS 10 -6.660 12.639 2.207 40 HA LYS 10 HA LYS 10 -6.324 11.057 -0.258 41 HB2 LYS 10 1HB LYS 10 -5.633 10.318 2.591 42 HB3 LYS 10 2HB LYS 10 -5.545 9.214 1.225 43 HG2 LYS 10 1HG LYS 10 -3.375 9.874 1.316 44 HG3 LYS 10 2HG LYS 10 -4.007 11.120 0.237 45 HD2 LYS 10 1HD LYS 10 -4.324 12.592 2.213 46 HD3 LYS 10 2HD LYS 10 -3.551 11.358 3.211 47 HE2 LYS 10 1HE LYS 10 -2.181 12.450 0.781 48 HE3 LYS 10 2HE LYS 10 -2.129 13.322 2.312 49 HZ1 LYS 10 3HZ LYS 10 -0.689 10.993 1.508 50 HZ2 LYS 10 1HZ LYS 10 -1.501 10.747 2.971 51 HZ3 LYS 10 2HZ LYS 10 -0.411 12.030 2.815 52 HA PRO 11 HA PRO 11 -10.663 10.413 1.210 53 HB2 PRO 11 1HB PRO 11 -11.742 10.433 -1.281 54 HB3 PRO 11 2HB PRO 11 -11.456 11.906 -0.346 55 HG2 PRO 11 1HG PRO 11 -9.807 10.702 -2.535 56 HG3 PRO 11 2HG PRO 11 -10.238 12.400 -2.264 57 HD2 PRO 11 1HD PRO 11 -7.823 11.384 -1.582 58 HD3 PRO 11 2HD PRO 11 -8.601 12.692 -0.668 59 H TYR 12 H TYR 12 -8.316 8.664 -0.287 60 HA TYR 12 HA TYR 12 -10.088 6.339 -0.668 61 HB2 TYR 12 1HB TYR 12 -7.488 7.007 -2.060 62 HB3 TYR 12 2HB TYR 12 -8.328 5.468 -2.218 63 HD1 TYR 12 HD1 TYR 12 -8.593 9.097 -2.893 64 HD2 TYR 12 HD2 TYR 12 -10.167 5.226 -3.693 65 HE1 TYR 12 HE1 TYR 12 -9.942 10.031 -4.727 66 HE2 TYR 12 HE2 TYR 12 -11.518 6.148 -5.529 67 HH TYR 12 HH TYR 12 -11.464 8.117 -7.047 68 HA PRO 13 HA PRO 13 -7.453 5.326 2.953 69 HB2 PRO 13 1HB PRO 13 -9.361 3.836 4.182 70 HB3 PRO 13 2HB PRO 13 -9.268 5.594 4.336 71 HG2 PRO 13 1HG PRO 13 -11.026 3.938 2.568 72 HG3 PRO 13 2HG PRO 13 -11.437 5.372 3.527 73 HD2 PRO 13 1HD PRO 13 -10.974 5.485 0.861 74 HD3 PRO 13 2HD PRO 13 -10.574 6.823 1.957 75 H CYS 14 H CYS 14 -6.285 3.489 3.291 76 HA CYS 14 HA CYS 14 -6.341 1.464 1.297 77 HB2 CYS 14 1HB CYS 14 -4.225 2.008 2.244 78 HB3 CYS 14 2HB CYS 14 -4.815 1.754 3.884 79 H GLU 15 H GLU 15 -6.478 -0.873 1.769 80 HA GLU 15 HA GLU 15 -8.724 -1.394 3.586 81 HB2 GLU 15 1HB GLU 15 -9.344 -2.124 1.461 82 HB3 GLU 15 2HB GLU 15 -7.733 -2.719 1.087 83 HG2 GLU 15 1HG GLU 15 -8.053 -4.697 2.179 84 HG3 GLU 15 2HG GLU 15 -9.239 -4.018 3.292 85 H ILE 16 H ILE 16 -5.486 -2.495 2.738 86 HA ILE 16 HA ILE 16 -5.398 -4.704 4.499 87 HB ILE 16 HB ILE 16 -3.110 -3.032 3.453 88 HG12 ILE 16 1HG1 ILE 16 -2.994 -5.271 2.000 89 HG13 ILE 16 2HG1 ILE 16 -4.725 -5.265 2.322 90 HG21 ILE 16 1HG2 ILE 16 -2.060 -5.473 3.816 91 HG22 ILE 16 2HG2 ILE 16 -2.012 -4.206 5.042 92 HG23 ILE 16 3HG2 ILE 16 -3.246 -5.464 5.121 93 HD11 ILE 16 3HD1 ILE 16 -5.020 -3.812 0.690 94 HD12 ILE 16 1HD1 ILE 16 -3.975 -2.655 1.515 95 HD13 ILE 16 2HD1 ILE 16 -3.285 -3.810 0.375 96 H CYS 17 H CYS 17 -3.494 -1.714 4.843 97 HA CYS 17 HA CYS 17 -3.508 -2.066 7.733 98 HB2 CYS 17 1HB CYS 17 -1.871 -0.192 7.715 99 HB3 CYS 17 2HB CYS 17 -1.372 -1.555 6.718 100 H GLY 18 H GLY 18 -4.384 0.432 5.354 101 HA2 GLY 18 1HA GLY 18 -6.682 1.391 5.921 102 HA3 GLY 18 2HA GLY 18 -5.941 1.779 7.467 103 H THR 19 H THR 19 -3.366 2.305 5.894 104 HA THR 19 HA THR 19 -3.338 5.025 5.902 105 HB THR 19 HB THR 19 -1.832 3.130 4.103 106 HG1 THR 19 HG1 THR 19 -1.589 3.918 6.647 107 HG21 THR 19 3HG2 THR 19 -1.608 5.029 2.825 108 HG22 THR 19 1HG2 THR 19 -0.278 5.252 3.960 109 HG23 THR 19 2HG2 THR 19 -1.798 6.111 4.204 110 H ARG 20 H ARG 20 -4.007 6.668 4.633 111 HA ARG 20 HA ARG 20 -5.669 5.971 2.325 112 HB2 ARG 20 1HB ARG 20 -5.436 8.658 3.681 113 HB3 ARG 20 2HB ARG 20 -6.688 8.126 2.567 114 HG2 ARG 20 1HG ARG 20 -7.792 6.926 4.154 115 HG3 ARG 20 2HG ARG 20 -6.325 6.585 5.074 116 HD2 ARG 20 1HD ARG 20 -6.341 8.674 6.106 117 HD3 ARG 20 2HD ARG 20 -7.409 9.371 4.888 118 HE ARG 20 HE ARG 20 -8.574 7.249 6.465 119 HH11 ARG 20 1HH1 ARG 20 -8.050 10.675 6.139 120 HH12 ARG 20 2HH1 ARG 20 -9.397 11.109 7.137 121 HH21 ARG 20 1HH2 ARG 20 -10.352 7.807 7.782 122 HH22 ARG 20 2HH2 ARG 20 -10.706 9.477 8.072 123 H PHE 21 H PHE 21 -5.392 6.909 0.304 124 HA PHE 21 HA PHE 21 -2.835 8.315 -0.103 125 HB2 PHE 21 1HB PHE 21 -4.128 6.176 -1.795 126 HB3 PHE 21 2HB PHE 21 -2.824 7.202 -2.384 127 HD1 PHE 21 HD2 PHE 21 -3.660 4.885 0.406 128 HD2 PHE 21 HD1 PHE 21 -0.634 6.542 -2.086 129 HE1 PHE 21 HE2 PHE 21 -2.012 3.346 1.390 130 HE2 PHE 21 HE1 PHE 21 1.019 5.004 -1.107 131 HZ PHE 21 HZ PHE 21 0.331 3.404 0.634 132 H ARG 22 H ARG 22 -2.813 10.047 -1.479 133 HA ARG 22 HA ARG 22 -4.949 11.692 -1.745 134 HB2 ARG 22 1HB ARG 22 -2.640 12.337 -2.298 135 HB3 ARG 22 2HB ARG 22 -2.726 11.380 -3.771 136 HG2 ARG 22 1HG ARG 22 -3.177 13.433 -4.629 137 HG3 ARG 22 2HG ARG 22 -4.819 12.924 -4.228 138 HD2 ARG 22 1HD ARG 22 -4.701 15.074 -3.354 139 HD3 ARG 22 2HD ARG 22 -4.378 14.051 -1.954 140 HE ARG 22 HE ARG 22 -2.210 14.837 -1.902 141 HH11 ARG 22 1HH1 ARG 22 -3.800 15.894 -4.813 142 HH12 ARG 22 2HH1 ARG 22 -2.555 17.022 -5.238 143 HH21 ARG 22 1HH2 ARG 22 -0.565 16.319 -2.451 144 HH22 ARG 22 2HH2 ARG 22 -0.716 17.262 -3.894 145 H HIS 23 H HIS 23 -3.859 9.422 -4.269 146 HA HIS 23 HA HIS 23 -6.582 9.523 -5.393 147 HB2 HIS 23 1HB HIS 23 -3.903 9.516 -6.704 148 HB3 HIS 23 2HB HIS 23 -5.223 8.680 -7.516 149 HD2 HIS 23 HD2 HIS 23 -6.381 11.860 -5.724 150 HE1 HIS 23 HE1 HIS 23 -5.854 12.851 -9.815 151 HE2 HIS 23 HE2 HIS 23 -6.679 13.644 -7.572 152 H LEU 24 H LEU 24 -7.267 7.535 -6.514 153 HA LEU 24 HA LEU 24 -6.779 5.247 -4.871 154 HB2 LEU 24 1HB LEU 24 -8.970 5.820 -5.918 155 HB3 LEU 24 2HB LEU 24 -8.279 5.388 -7.481 156 HG LEU 24 HG LEU 24 -8.248 3.117 -6.979 157 HD11 LEU 24 1HD1 LEU 24 -8.192 4.035 -4.152 158 HD12 LEU 24 2HD1 LEU 24 -7.212 2.817 -4.967 159 HD13 LEU 24 3HD1 LEU 24 -8.874 2.448 -4.510 160 HD21 LEU 24 3HD2 LEU 24 -10.672 4.342 -5.676 161 HD22 LEU 24 1HD2 LEU 24 -10.506 2.619 -6.013 162 HD23 LEU 24 2HD2 LEU 24 -10.507 3.781 -7.341 163 H GLN 25 H GLN 25 -6.306 5.842 -8.358 164 HA GLN 25 HA GLN 25 -5.136 3.589 -9.213 165 HB2 GLN 25 1HB GLN 25 -3.703 4.967 -10.709 166 HB3 GLN 25 2HB GLN 25 -5.385 5.478 -10.685 167 HG2 GLN 25 1HG GLN 25 -4.917 7.407 -9.485 168 HG3 GLN 25 2HG GLN 25 -3.369 6.788 -8.909 169 HE21 GLN 25 1HE2 GLN 25 -3.664 9.300 -10.055 170 HE22 GLN 25 2HE2 GLN 25 -2.815 9.330 -11.559 171 H THR 26 H THR 26 -3.663 5.930 -7.061 172 HA THR 26 HA THR 26 -1.069 4.686 -7.122 173 HB THR 26 HB THR 26 -2.166 6.725 -5.176 174 HG1 THR 26 HG1 THR 26 -0.366 7.297 -7.270 175 HG21 THR 26 3HG2 THR 26 0.593 7.011 -5.427 176 HG22 THR 26 1HG2 THR 26 0.334 5.272 -5.304 177 HG23 THR 26 2HG2 THR 26 -0.278 6.345 -4.046 178 H LEU 27 H LEU 27 -3.818 4.763 -4.891 179 HA LEU 27 HA LEU 27 -2.698 3.358 -2.767 180 HB2 LEU 27 1HB LEU 27 -4.797 4.414 -2.470 181 HB3 LEU 27 2HB LEU 27 -5.518 3.509 -3.799 182 HG LEU 27 HG LEU 27 -5.486 1.479 -2.479 183 HD11 LEU 27 1HD1 LEU 27 -4.669 1.362 -0.254 184 HD12 LEU 27 2HD1 LEU 27 -4.376 3.100 -0.200 185 HD13 LEU 27 3HD1 LEU 27 -3.387 2.071 -1.236 186 HD21 LEU 27 3HD2 LEU 27 -6.919 2.348 -0.508 187 HD22 LEU 27 1HD2 LEU 27 -7.486 2.607 -2.158 188 HD23 LEU 27 2HD2 LEU 27 -6.719 3.926 -1.272 189 H LYS 28 H LYS 28 -4.544 2.094 -5.537 190 HA LYS 28 HA LYS 28 -4.562 -0.582 -4.941 191 HB2 LYS 28 1HB LYS 28 -4.243 0.792 -7.609 192 HB3 LYS 28 2HB LYS 28 -4.486 -0.943 -7.451 193 HG2 LYS 28 1HG LYS 28 -6.624 -0.541 -6.334 194 HG3 LYS 28 2HG LYS 28 -6.380 1.199 -6.504 195 HD2 LYS 28 1HD LYS 28 -6.368 -0.646 -8.876 196 HD3 LYS 28 2HD LYS 28 -7.863 0.039 -8.235 197 HE2 LYS 28 1HE LYS 28 -7.360 1.637 -9.778 198 HE3 LYS 28 2HE LYS 28 -6.469 2.285 -8.402 199 HZ1 LYS 28 3HZ LYS 28 -5.316 2.048 -10.696 200 HZ2 LYS 28 1HZ LYS 28 -5.128 0.428 -10.245 201 HZ3 LYS 28 2HZ LYS 28 -4.464 1.655 -9.288 202 H SER 29 H SER 29 -1.893 1.355 -6.113 203 HA SER 29 HA SER 29 -0.194 -0.908 -6.642 204 HB2 SER 29 1HB SER 29 0.060 1.194 -7.906 205 HB3 SER 29 2HB SER 29 0.495 2.033 -6.417 206 HG SER 29 HG SER 29 2.242 1.175 -7.876 207 H HIS 30 H HIS 30 -0.940 1.103 -3.937 208 HA HIS 30 HA HIS 30 1.434 0.638 -2.438 209 HB2 HIS 30 1HB HIS 30 0.321 2.473 -1.616 210 HB3 HIS 30 2HB HIS 30 -1.269 1.760 -1.875 211 HD1 HIS 30 HD1 HIS 30 1.706 1.173 0.433 212 HD2 HIS 30 HD2 HIS 30 -2.445 1.002 0.433 213 HE1 HIS 30 HE1 HIS 30 1.058 0.572 2.787 214 H LEU 31 H LEU 31 -1.425 -1.193 -3.033 215 HA LEU 31 HA LEU 31 -1.304 -2.856 -0.722 216 HB2 LEU 31 1HB LEU 31 -2.502 -3.775 -3.295 217 HB3 LEU 31 2HB LEU 31 -3.056 -4.042 -1.643 218 HG LEU 31 HG LEU 31 -3.418 -1.614 -3.373 219 HD11 LEU 31 1HD1 LEU 31 -5.474 -2.405 -3.605 220 HD12 LEU 31 2HD1 LEU 31 -5.690 -2.431 -1.856 221 HD13 LEU 31 3HD1 LEU 31 -5.013 -3.835 -2.681 222 HD21 LEU 31 3HD2 LEU 31 -2.726 -0.643 -1.344 223 HD22 LEU 31 1HD2 LEU 31 -3.602 -1.834 -0.381 224 HD23 LEU 31 2HD2 LEU 31 -4.490 -0.616 -1.297 225 H ARG 32 H ARG 32 0.785 -2.562 -3.246 226 HA ARG 32 HA ARG 32 1.365 -5.278 -3.849 227 HB2 ARG 32 1HB ARG 32 2.741 -2.661 -4.295 228 HB3 ARG 32 2HB ARG 32 3.646 -4.149 -4.534 229 HG2 ARG 32 1HG ARG 32 2.560 -3.152 -6.580 230 HG3 ARG 32 2HG ARG 32 2.225 -4.857 -6.270 231 HD2 ARG 32 1HD ARG 32 0.058 -4.371 -5.439 232 HD3 ARG 32 2HD ARG 32 0.401 -2.643 -5.368 233 HE ARG 32 HE ARG 32 0.678 -3.128 -7.976 234 HH11 ARG 32 1HH1 ARG 32 -1.799 -4.078 -5.722 235 HH12 ARG 32 2HH1 ARG 32 -3.056 -4.102 -6.913 236 HH21 ARG 32 1HH2 ARG 32 -0.969 -3.156 -9.554 237 HH22 ARG 32 2HH2 ARG 32 -2.584 -3.578 -9.092 238 H ILE 33 H ILE 33 2.590 -2.979 -1.479 239 HA ILE 33 HA ILE 33 4.691 -4.693 -0.552 240 HB ILE 33 HB ILE 33 5.101 -3.077 1.143 241 HG12 ILE 33 1HG1 ILE 33 2.510 -1.688 0.462 242 HG13 ILE 33 2HG1 ILE 33 2.631 -2.879 1.752 243 HG21 ILE 33 1HG2 ILE 33 4.458 -2.113 -1.573 244 HG22 ILE 33 2HG2 ILE 33 4.714 -0.878 -0.342 245 HG23 ILE 33 3HG2 ILE 33 5.977 -2.062 -0.678 246 HD11 ILE 33 3HD1 ILE 33 2.849 -0.329 2.254 247 HD12 ILE 33 1HD1 ILE 33 3.866 -1.500 3.092 248 HD13 ILE 33 2HD1 ILE 33 4.516 -0.579 1.735 249 H HIS 34 H HIS 34 1.348 -4.630 -0.095 250 HA HIS 34 HA HIS 34 1.386 -5.751 2.579 251 HB2 HIS 34 1HB HIS 34 -0.786 -5.046 0.624 252 HB3 HIS 34 2HB HIS 34 -1.137 -6.022 2.048 253 HD1 HIS 34 HD1 HIS 34 0.335 -4.630 4.240 254 HD2 HIS 34 HD2 HIS 34 -1.638 -2.558 1.228 255 HE1 HIS 34 HE1 HIS 34 -0.127 -2.347 5.187 256 H THR 35 H THR 35 0.503 -6.832 -0.690 257 HA THR 35 HA THR 35 0.627 -9.612 0.274 258 HB THR 35 HB THR 35 -1.546 -8.989 -0.688 259 HG1 THR 35 HG1 THR 35 0.110 -10.922 -1.843 260 HG21 THR 35 3HG2 THR 35 -0.663 -7.270 -2.261 261 HG22 THR 35 1HG2 THR 35 -1.789 -8.400 -3.011 262 HG23 THR 35 2HG2 THR 35 -0.055 -8.574 -3.280 263 H GLY 36 H GLY 36 2.961 -8.043 -0.414 264 HA2 GLY 36 1HA GLY 36 3.848 -9.472 -2.844 265 HA3 GLY 36 2HA GLY 36 4.474 -7.908 -2.345 266 H SER 37 H SER 37 4.274 -11.307 -1.363 267 HA SER 37 HA SER 37 6.110 -11.236 0.728 268 HB2 SER 37 1HB SER 37 5.108 -13.358 -1.113 269 HB3 SER 37 2HB SER 37 6.534 -13.717 -0.140 270 HG SER 37 HG SER 37 4.748 -12.556 1.436 271 H GLY 38 H GLY 38 8.328 -11.732 0.858 272 HA2 GLY 38 1HA GLY 38 9.866 -10.713 -1.364 273 HA3 GLY 38 2HA GLY 38 10.491 -11.201 0.205 274 HA PRO 39 HA PRO 39 11.122 -14.466 -3.252 275 HB2 PRO 39 1HB PRO 39 13.636 -13.824 -4.050 276 HB3 PRO 39 2HB PRO 39 12.187 -13.174 -4.825 277 HG2 PRO 39 1HG PRO 39 13.967 -11.912 -2.775 278 HG3 PRO 39 2HG PRO 39 13.252 -11.194 -4.231 279 HD2 PRO 39 1HD PRO 39 12.218 -10.810 -1.758 280 HD3 PRO 39 2HD PRO 39 11.208 -10.865 -3.217 281 H SER 40 H SER 40 12.510 -13.343 -0.403 282 HA SER 40 HA SER 40 14.763 -14.722 0.130 283 HB2 SER 40 1HB SER 40 13.120 -13.348 1.694 284 HB3 SER 40 2HB SER 40 12.599 -14.962 2.177 285 HG SER 40 HG SER 40 15.114 -15.195 2.281 286 H SER 41 H SER 41 15.096 -16.668 -0.841 287 HA SER 41 HA SER 41 13.568 -18.924 0.236 288 HB2 SER 41 1HB SER 41 12.584 -18.484 -1.952 289 HB3 SER 41 2HB SER 41 14.181 -18.505 -2.700 290 HG SER 41 HG SER 41 13.393 -20.517 -3.014 291 H GLY 42 H GLY 42 14.696 -20.930 0.232 292 HA2 GLY 42 1HA GLY 42 16.668 -22.226 -0.291 293 HA3 GLY 42 2HA GLY 42 17.581 -20.725 -0.340 Start of MODEL 15 1 H1 GLY 1 H GLY 1 15.145 28.021 -3.098 2 HA2 GLY 1 1HA GLY 1 12.216 28.065 -2.721 3 HA3 GLY 1 2HA GLY 1 13.023 27.431 -4.148 4 H SER 2 H SER 2 11.112 25.999 -2.667 5 HA SER 2 HA SER 2 12.706 23.669 -1.973 6 HB2 SER 2 1HB SER 2 10.802 24.994 -0.034 7 HB3 SER 2 2HB SER 2 11.361 23.330 0.143 8 HG SER 2 HG SER 2 13.021 24.176 1.097 9 H SER 3 H SER 3 11.720 21.781 -2.483 10 HA SER 3 HA SER 3 9.365 21.890 -4.090 11 HB2 SER 3 1HB SER 3 11.372 20.269 -4.284 12 HB3 SER 3 2HB SER 3 10.565 19.346 -3.017 13 HG SER 3 HG SER 3 9.470 18.519 -4.603 14 H GLY 4 H GLY 4 7.449 22.258 -3.159 15 HA2 GLY 4 1HA GLY 4 6.709 20.555 -0.864 16 HA3 GLY 4 2HA GLY 4 6.305 22.265 -0.898 17 H SER 5 H SER 5 5.245 19.165 -1.619 18 HA SER 5 HA SER 5 3.563 19.667 -3.838 19 HB2 SER 5 1HB SER 5 2.420 17.563 -3.155 20 HB3 SER 5 2HB SER 5 4.173 17.393 -3.235 21 HG SER 5 HG SER 5 2.497 17.522 -0.979 22 H SER 6 H SER 6 1.272 19.881 -3.892 23 HA SER 6 HA SER 6 0.255 21.816 -2.117 24 HB2 SER 6 1HB SER 6 -1.303 20.019 -3.991 25 HB3 SER 6 2HB SER 6 -1.858 21.545 -3.304 26 HG SER 6 HG SER 6 0.500 21.913 -4.522 27 H GLY 7 H GLY 7 -1.121 21.702 -0.391 28 HA2 GLY 7 1HA GLY 7 -1.223 19.162 0.989 29 HA3 GLY 7 2HA GLY 7 -1.772 20.712 1.609 30 H GLY 8 H GLY 8 -2.640 17.868 -0.211 31 HA2 GLY 8 1HA GLY 8 -5.410 18.826 -0.443 32 HA3 GLY 8 2HA GLY 8 -4.723 17.458 -1.307 33 H GLU 9 H GLU 9 -5.858 15.726 -0.709 34 HA GLU 9 HA GLU 9 -5.807 14.930 2.075 35 HB2 GLU 9 1HB GLU 9 -8.318 15.688 0.639 36 HB3 GLU 9 2HB GLU 9 -8.365 14.372 1.804 37 HG2 GLU 9 1HG GLU 9 -7.463 15.887 3.518 38 HG3 GLU 9 2HG GLU 9 -7.499 17.203 2.346 39 H LYS 10 H LYS 10 -6.792 12.703 2.336 40 HA LYS 10 HA LYS 10 -6.345 11.120 -0.111 41 HB2 LYS 10 1HB LYS 10 -5.618 10.454 2.746 42 HB3 LYS 10 2HB LYS 10 -5.549 9.299 1.421 43 HG2 LYS 10 1HG LYS 10 -3.690 10.237 0.512 44 HG3 LYS 10 2HG LYS 10 -4.093 11.858 1.082 45 HD2 LYS 10 1HD LYS 10 -3.407 11.307 3.315 46 HD3 LYS 10 2HD LYS 10 -3.192 9.610 2.879 47 HE2 LYS 10 1HE LYS 10 -1.668 11.684 1.378 48 HE3 LYS 10 2HE LYS 10 -1.143 11.262 3.007 49 HZ1 LYS 10 3HZ LYS 10 -1.480 8.844 1.936 50 HZ2 LYS 10 1HZ LYS 10 -0.007 9.677 1.923 51 HZ3 LYS 10 2HZ LYS 10 -1.011 9.712 0.562 52 HA PRO 11 HA PRO 11 -10.666 10.361 1.390 53 HB2 PRO 11 1HB PRO 11 -11.783 10.448 -1.082 54 HB3 PRO 11 2HB PRO 11 -11.517 11.891 -0.097 55 HG2 PRO 11 1HG PRO 11 -9.874 10.809 -2.353 56 HG3 PRO 11 2HG PRO 11 -10.340 12.485 -2.013 57 HD2 PRO 11 1HD PRO 11 -7.892 11.502 -1.403 58 HD3 PRO 11 2HD PRO 11 -8.686 12.756 -0.430 59 H TYR 12 H TYR 12 -8.298 8.715 -0.166 60 HA TYR 12 HA TYR 12 -10.024 6.373 -0.640 61 HB2 TYR 12 1HB TYR 12 -7.428 7.133 -1.992 62 HB3 TYR 12 2HB TYR 12 -8.247 5.592 -2.215 63 HD1 TYR 12 HD1 TYR 12 -8.544 9.239 -2.759 64 HD2 TYR 12 HD2 TYR 12 -10.086 5.386 -3.699 65 HE1 TYR 12 HE1 TYR 12 -9.895 10.226 -4.562 66 HE2 TYR 12 HE2 TYR 12 -11.440 6.363 -5.506 67 HH TYR 12 HH TYR 12 -11.613 8.260 -6.857 68 HA PRO 13 HA PRO 13 -7.347 5.314 2.952 69 HB2 PRO 13 1HB PRO 13 -9.251 3.835 4.200 70 HB3 PRO 13 2HB PRO 13 -9.132 5.590 4.373 71 HG2 PRO 13 1HG PRO 13 -10.945 3.978 2.619 72 HG3 PRO 13 2HG PRO 13 -11.318 5.406 3.602 73 HD2 PRO 13 1HD PRO 13 -10.905 5.544 0.930 74 HD3 PRO 13 2HD PRO 13 -10.466 6.864 2.033 75 H CYS 14 H CYS 14 -6.234 3.432 3.302 76 HA CYS 14 HA CYS 14 -6.348 1.436 1.269 77 HB2 CYS 14 1HB CYS 14 -4.200 1.924 2.157 78 HB3 CYS 14 2HB CYS 14 -4.754 1.705 3.814 79 H GLU 15 H GLU 15 -6.539 -0.893 1.699 80 HA GLU 15 HA GLU 15 -8.765 -1.397 3.536 81 HB2 GLU 15 1HB GLU 15 -9.073 -3.486 2.247 82 HB3 GLU 15 2HB GLU 15 -9.164 -2.049 1.239 83 HG2 GLU 15 1HG GLU 15 -6.869 -2.424 0.493 84 HG3 GLU 15 2HG GLU 15 -6.779 -3.866 1.502 85 H ILE 16 H ILE 16 -5.532 -2.548 2.716 86 HA ILE 16 HA ILE 16 -5.455 -4.723 4.505 87 HB ILE 16 HB ILE 16 -3.155 -3.043 3.498 88 HG12 ILE 16 1HG1 ILE 16 -3.009 -5.292 2.054 89 HG13 ILE 16 2HG1 ILE 16 -4.747 -5.272 2.334 90 HG21 ILE 16 1HG2 ILE 16 -3.315 -5.481 5.158 91 HG22 ILE 16 2HG2 ILE 16 -2.099 -5.475 3.882 92 HG23 ILE 16 3HG2 ILE 16 -2.089 -4.214 5.115 93 HD11 ILE 16 3HD1 ILE 16 -3.216 -3.797 0.446 94 HD12 ILE 16 1HD1 ILE 16 -4.966 -3.858 0.654 95 HD13 ILE 16 2HD1 ILE 16 -4.012 -2.671 1.545 96 H CYS 17 H CYS 17 -3.541 -1.745 4.875 97 HA CYS 17 HA CYS 17 -3.659 -2.066 7.769 98 HB2 CYS 17 1HB CYS 17 -1.971 -0.229 7.780 99 HB3 CYS 17 2HB CYS 17 -1.471 -1.637 6.847 100 H GLY 18 H GLY 18 -4.357 0.431 5.330 101 HA2 GLY 18 1HA GLY 18 -6.657 1.454 5.822 102 HA3 GLY 18 2HA GLY 18 -5.927 1.873 7.365 103 H THR 19 H THR 19 -3.327 2.241 5.737 104 HA THR 19 HA THR 19 -3.167 4.953 5.695 105 HB THR 19 HB THR 19 -1.834 3.066 3.743 106 HG1 THR 19 HG1 THR 19 -1.121 4.073 6.306 107 HG21 THR 19 3HG2 THR 19 -1.912 5.649 3.277 108 HG22 THR 19 1HG2 THR 19 -0.405 4.754 3.090 109 HG23 THR 19 2HG2 THR 19 -0.690 5.705 4.547 110 H ARG 20 H ARG 20 -3.923 6.590 4.501 111 HA ARG 20 HA ARG 20 -5.610 5.940 2.201 112 HB2 ARG 20 1HB ARG 20 -5.336 8.641 3.509 113 HB3 ARG 20 2HB ARG 20 -6.654 8.045 2.509 114 HG2 ARG 20 1HG ARG 20 -7.608 6.871 4.215 115 HG3 ARG 20 2HG ARG 20 -6.072 6.620 5.047 116 HD2 ARG 20 1HD ARG 20 -6.137 8.672 6.074 117 HD3 ARG 20 2HD ARG 20 -7.132 9.392 4.810 118 HE ARG 20 HE ARG 20 -8.437 7.358 6.400 119 HH11 ARG 20 1HH1 ARG 20 -7.773 10.750 5.981 120 HH12 ARG 20 2HH1 ARG 20 -9.137 11.266 6.917 121 HH21 ARG 20 1HH2 ARG 20 -10.236 8.025 7.633 122 HH22 ARG 20 2HH2 ARG 20 -10.537 9.715 7.856 123 H PHE 21 H PHE 21 -5.481 7.195 0.249 124 HA PHE 21 HA PHE 21 -2.901 8.525 -0.198 125 HB2 PHE 21 1HB PHE 21 -4.129 6.367 -1.920 126 HB3 PHE 21 2HB PHE 21 -2.810 7.405 -2.452 127 HD1 PHE 21 HD2 PHE 21 -3.711 5.122 0.353 128 HD2 PHE 21 HD1 PHE 21 -0.649 6.681 -2.158 129 HE1 PHE 21 HE2 PHE 21 -2.092 3.578 1.376 130 HE2 PHE 21 HE1 PHE 21 0.976 5.138 -1.140 131 HZ PHE 21 HZ PHE 21 0.255 3.585 0.630 132 H ARG 22 H ARG 22 -2.935 10.239 -1.604 133 HA ARG 22 HA ARG 22 -5.112 11.826 -1.864 134 HB2 ARG 22 1HB ARG 22 -2.642 12.228 -2.561 135 HB3 ARG 22 2HB ARG 22 -3.165 11.668 -4.143 136 HG2 ARG 22 1HG ARG 22 -4.917 13.444 -4.110 137 HG3 ARG 22 2HG ARG 22 -4.184 14.056 -2.626 138 HD2 ARG 22 1HD ARG 22 -2.493 13.632 -5.052 139 HD3 ARG 22 2HD ARG 22 -3.513 15.066 -4.938 140 HE ARG 22 HE ARG 22 -2.113 14.929 -2.565 141 HH11 ARG 22 1HH1 ARG 22 -1.364 15.212 -5.953 142 HH12 ARG 22 2HH1 ARG 22 0.096 16.106 -5.689 143 HH21 ARG 22 1HH2 ARG 22 -0.192 16.105 -2.205 144 HH22 ARG 22 2HH2 ARG 22 0.762 16.613 -3.557 145 H HIS 23 H HIS 23 -4.041 9.456 -4.294 146 HA HIS 23 HA HIS 23 -6.754 9.550 -5.442 147 HB2 HIS 23 1HB HIS 23 -4.070 9.452 -6.728 148 HB3 HIS 23 2HB HIS 23 -5.378 8.561 -7.501 149 HD2 HIS 23 HD2 HIS 23 -6.114 12.036 -5.878 150 HE1 HIS 23 HE1 HIS 23 -6.332 12.433 -10.096 151 HE2 HIS 23 HE2 HIS 23 -6.633 13.590 -7.879 152 H LEU 24 H LEU 24 -7.196 7.455 -6.746 153 HA LEU 24 HA LEU 24 -6.821 5.250 -4.896 154 HB2 LEU 24 1HB LEU 24 -9.032 5.797 -5.904 155 HB3 LEU 24 2HB LEU 24 -8.382 5.326 -7.473 156 HG LEU 24 HG LEU 24 -8.469 3.092 -6.994 157 HD11 LEU 24 1HD1 LEU 24 -7.026 3.079 -5.081 158 HD12 LEU 24 2HD1 LEU 24 -8.487 2.175 -4.685 159 HD13 LEU 24 3HD1 LEU 24 -8.274 3.816 -4.076 160 HD21 LEU 24 3HD2 LEU 24 -10.651 4.513 -5.544 161 HD22 LEU 24 1HD2 LEU 24 -10.541 2.757 -5.424 162 HD23 LEU 24 2HD2 LEU 24 -10.723 3.523 -7.002 163 H GLN 25 H GLN 25 -6.363 5.784 -8.393 164 HA GLN 25 HA GLN 25 -5.226 3.455 -9.172 165 HB2 GLN 25 1HB GLN 25 -3.851 4.791 -10.782 166 HB3 GLN 25 2HB GLN 25 -5.559 5.213 -10.763 167 HG2 GLN 25 1HG GLN 25 -5.189 7.260 -9.809 168 HG3 GLN 25 2HG GLN 25 -3.684 6.753 -9.045 169 HE21 GLN 25 1HE2 GLN 25 -5.039 8.465 -11.560 170 HE22 GLN 25 2HE2 GLN 25 -3.635 8.646 -12.549 171 H THR 26 H THR 26 -3.808 5.849 -7.087 172 HA THR 26 HA THR 26 -1.152 4.724 -7.225 173 HB THR 26 HB THR 26 -2.305 6.802 -5.354 174 HG1 THR 26 HG1 THR 26 -0.777 8.088 -6.789 175 HG21 THR 26 3HG2 THR 26 -0.187 5.383 -4.697 176 HG22 THR 26 1HG2 THR 26 -0.219 7.127 -4.440 177 HG23 THR 26 2HG2 THR 26 0.617 6.457 -5.841 178 H LEU 27 H LEU 27 -3.796 4.822 -4.857 179 HA LEU 27 HA LEU 27 -2.558 3.468 -2.773 180 HB2 LEU 27 1HB LEU 27 -4.631 4.477 -2.333 181 HB3 LEU 27 2HB LEU 27 -5.417 3.635 -3.666 182 HG LEU 27 HG LEU 27 -5.296 1.536 -2.411 183 HD11 LEU 27 1HD1 LEU 27 -4.064 3.245 -0.255 184 HD12 LEU 27 2HD1 LEU 27 -3.295 1.916 -1.122 185 HD13 LEU 27 3HD1 LEU 27 -4.642 1.593 -0.030 186 HD21 LEU 27 3HD2 LEU 27 -6.513 3.764 -0.782 187 HD22 LEU 27 1HD2 LEU 27 -6.968 2.060 -0.750 188 HD23 LEU 27 2HD2 LEU 27 -7.256 3.022 -2.200 189 H LYS 28 H LYS 28 -4.348 2.173 -5.544 190 HA LYS 28 HA LYS 28 -4.393 -0.508 -4.870 191 HB2 LYS 28 1HB LYS 28 -4.133 0.833 -7.560 192 HB3 LYS 28 2HB LYS 28 -4.343 -0.904 -7.380 193 HG2 LYS 28 1HG LYS 28 -6.507 -0.694 -6.594 194 HG3 LYS 28 2HG LYS 28 -6.272 0.984 -6.099 195 HD2 LYS 28 1HD LYS 28 -6.587 1.796 -8.218 196 HD3 LYS 28 2HD LYS 28 -6.012 0.315 -8.987 197 HE2 LYS 28 1HE LYS 28 -8.128 -0.777 -8.072 198 HE3 LYS 28 2HE LYS 28 -8.693 0.861 -7.745 199 HZ1 LYS 28 3HZ LYS 28 -8.421 -0.531 -10.270 200 HZ2 LYS 28 1HZ LYS 28 -7.907 1.081 -10.285 201 HZ3 LYS 28 2HZ LYS 28 -9.488 0.702 -9.822 202 H SER 29 H SER 29 -1.731 1.453 -5.928 203 HA SER 29 HA SER 29 -0.025 -0.802 -6.535 204 HB2 SER 29 1HB SER 29 0.591 2.154 -6.314 205 HB3 SER 29 2HB SER 29 1.725 0.925 -6.873 206 HG SER 29 HG SER 29 0.390 0.532 -8.628 207 H HIS 30 H HIS 30 -0.849 1.084 -3.790 208 HA HIS 30 HA HIS 30 1.552 0.623 -2.300 209 HB2 HIS 30 1HB HIS 30 0.488 2.461 -1.443 210 HB3 HIS 30 2HB HIS 30 -1.119 1.811 -1.756 211 HD1 HIS 30 HD1 HIS 30 1.773 1.090 0.617 212 HD2 HIS 30 HD2 HIS 30 -2.380 1.036 0.502 213 HE1 HIS 30 HE1 HIS 30 1.044 0.465 2.941 214 H LEU 31 H LEU 31 -1.275 -1.196 -2.977 215 HA LEU 31 HA LEU 31 -1.185 -2.871 -0.654 216 HB2 LEU 31 1HB LEU 31 -2.452 -3.760 -3.196 217 HB3 LEU 31 2HB LEU 31 -2.999 -3.969 -1.534 218 HG LEU 31 HG LEU 31 -3.270 -1.551 -3.299 219 HD11 LEU 31 1HD1 LEU 31 -4.926 -3.685 -2.860 220 HD12 LEU 31 2HD1 LEU 31 -5.433 -2.092 -3.420 221 HD13 LEU 31 3HD1 LEU 31 -5.525 -2.494 -1.706 222 HD21 LEU 31 3HD2 LEU 31 -2.628 -0.522 -1.320 223 HD22 LEU 31 1HD2 LEU 31 -3.390 -1.755 -0.314 224 HD23 LEU 31 2HD2 LEU 31 -4.386 -0.584 -1.180 225 H ARG 32 H ARG 32 0.862 -2.583 -3.210 226 HA ARG 32 HA ARG 32 1.367 -5.302 -3.867 227 HB2 ARG 32 1HB ARG 32 2.705 -2.693 -4.360 228 HB3 ARG 32 2HB ARG 32 3.688 -4.143 -4.519 229 HG2 ARG 32 1HG ARG 32 2.800 -3.528 -6.666 230 HG3 ARG 32 2HG ARG 32 2.057 -5.038 -6.134 231 HD2 ARG 32 1HD ARG 32 0.015 -4.026 -5.697 232 HD3 ARG 32 2HD ARG 32 0.728 -2.419 -5.566 233 HE ARG 32 HE ARG 32 0.499 -2.171 -7.829 234 HH11 ARG 32 1HH1 ARG 32 0.142 -5.535 -7.008 235 HH12 ARG 32 2HH1 ARG 32 -0.357 -6.005 -8.599 236 HH21 ARG 32 1HH2 ARG 32 -0.156 -2.778 -9.928 237 HH22 ARG 32 2HH2 ARG 32 -0.525 -4.436 -10.260 238 H ILE 33 H ILE 33 2.444 -3.176 -1.334 239 HA ILE 33 HA ILE 33 4.629 -4.883 -0.526 240 HB ILE 33 HB ILE 33 5.105 -3.316 1.153 241 HG12 ILE 33 1HG1 ILE 33 2.289 -2.265 0.807 242 HG13 ILE 33 2HG1 ILE 33 2.885 -3.203 2.171 243 HG21 ILE 33 1HG2 ILE 33 4.080 -1.166 -0.443 244 HG22 ILE 33 2HG2 ILE 33 5.736 -1.749 -0.287 245 HG23 ILE 33 3HG2 ILE 33 4.657 -2.468 -1.482 246 HD11 ILE 33 3HD1 ILE 33 4.575 -1.277 2.456 247 HD12 ILE 33 1HD1 ILE 33 3.459 -0.368 1.437 248 HD13 ILE 33 2HD1 ILE 33 2.905 -1.040 2.971 249 H HIS 34 H HIS 34 1.266 -4.634 0.099 250 HA HIS 34 HA HIS 34 1.317 -5.916 2.672 251 HB2 HIS 34 1HB HIS 34 -0.886 -5.217 0.739 252 HB3 HIS 34 2HB HIS 34 -1.195 -6.135 2.209 253 HD1 HIS 34 HD1 HIS 34 0.330 -4.668 4.307 254 HD2 HIS 34 HD2 HIS 34 -1.701 -2.700 1.264 255 HE1 HIS 34 HE1 HIS 34 -0.098 -2.347 5.175 256 H THR 35 H THR 35 0.580 -6.902 -0.650 257 HA THR 35 HA THR 35 0.799 -9.708 0.227 258 HB THR 35 HB THR 35 -1.528 -9.093 -0.426 259 HG1 THR 35 HG1 THR 35 -0.806 -11.244 -0.701 260 HG21 THR 35 3HG2 THR 35 -0.563 -8.941 -3.261 261 HG22 THR 35 1HG2 THR 35 -0.648 -7.493 -2.260 262 HG23 THR 35 2HG2 THR 35 -2.108 -8.428 -2.584 263 H GLY 36 H GLY 36 2.575 -10.621 -0.558 264 HA2 GLY 36 1HA GLY 36 3.219 -10.910 -3.222 265 HA3 GLY 36 2HA GLY 36 4.079 -9.471 -2.695 266 H SER 37 H SER 37 5.347 -11.801 -3.628 267 HA SER 37 HA SER 37 6.475 -12.988 -1.189 268 HB2 SER 37 1HB SER 37 7.164 -14.839 -2.492 269 HB3 SER 37 2HB SER 37 5.550 -14.446 -3.085 270 HG SER 37 HG SER 37 7.282 -14.804 -4.700 271 H GLY 38 H GLY 38 8.387 -12.308 -0.496 272 HA2 GLY 38 1HA GLY 38 10.273 -11.184 -2.470 273 HA3 GLY 38 2HA GLY 38 9.968 -10.376 -0.940 274 HA PRO 39 HA PRO 39 13.694 -13.033 -0.357 275 HB2 PRO 39 1HB PRO 39 15.056 -11.186 1.093 276 HB3 PRO 39 2HB PRO 39 15.078 -11.227 -0.674 277 HG2 PRO 39 1HG PRO 39 13.461 -9.500 1.161 278 HG3 PRO 39 2HG PRO 39 14.316 -9.057 -0.327 279 HD2 PRO 39 1HD PRO 39 11.643 -9.486 -0.255 280 HD3 PRO 39 2HD PRO 39 12.632 -9.857 -1.682 281 H SER 40 H SER 40 12.698 -14.476 1.035 282 HA SER 40 HA SER 40 12.066 -13.597 3.748 283 HB2 SER 40 1HB SER 40 11.508 -16.137 2.218 284 HB3 SER 40 2HB SER 40 11.219 -16.004 3.952 285 HG SER 40 HG SER 40 9.860 -14.182 3.449 286 H SER 41 H SER 41 14.773 -13.522 3.155 287 HA SER 41 HA SER 41 16.449 -15.569 3.519 288 HB2 SER 41 1HB SER 41 16.485 -12.859 4.831 289 HB3 SER 41 2HB SER 41 17.790 -14.016 5.091 290 HG SER 41 HG SER 41 18.512 -13.602 3.163 291 H GLY 42 H GLY 42 14.554 -14.094 6.134 292 HA2 GLY 42 1HA GLY 42 13.577 -15.602 7.791 293 HA3 GLY 42 2HA GLY 42 15.070 -16.527 7.727 Start of MODEL 16 1 H1 GLY 1 H GLY 1 10.268 18.676 12.859 2 HA2 GLY 1 1HA GLY 1 10.907 17.007 11.104 3 HA3 GLY 1 2HA GLY 1 10.778 15.804 12.379 4 H SER 2 H SER 2 9.032 17.897 10.211 5 HA SER 2 HA SER 2 6.650 16.248 10.606 6 HB2 SER 2 1HB SER 2 5.174 18.179 10.742 7 HB3 SER 2 2HB SER 2 6.369 18.261 12.036 8 HG SER 2 HG SER 2 6.093 20.269 10.941 9 H SER 3 H SER 3 5.168 16.306 8.832 10 HA SER 3 HA SER 3 6.451 17.160 6.323 11 HB2 SER 3 1HB SER 3 4.369 15.001 6.746 12 HB3 SER 3 2HB SER 3 5.148 15.404 5.216 13 HG SER 3 HG SER 3 6.754 14.191 5.786 14 H GLY 4 H GLY 4 5.374 18.433 4.890 15 HA2 GLY 4 1HA GLY 4 3.075 19.862 5.886 16 HA3 GLY 4 2HA GLY 4 3.923 20.167 4.377 17 H SER 5 H SER 5 1.677 20.467 3.602 18 HA SER 5 HA SER 5 0.797 18.100 2.249 19 HB2 SER 5 1HB SER 5 -0.698 19.121 4.618 20 HB3 SER 5 2HB SER 5 -1.636 18.576 3.228 21 HG SER 5 HG SER 5 -1.093 16.580 3.644 22 H SER 6 H SER 6 0.717 18.996 0.288 23 HA SER 6 HA SER 6 -0.381 21.674 -0.059 24 HB2 SER 6 1HB SER 6 1.764 20.852 -1.188 25 HB3 SER 6 2HB SER 6 0.718 19.895 -2.235 26 HG SER 6 HG SER 6 -0.288 21.833 -2.885 27 H GLY 7 H GLY 7 -2.575 21.093 0.459 28 HA2 GLY 7 1HA GLY 7 -4.675 20.191 0.023 29 HA3 GLY 7 2HA GLY 7 -4.362 20.962 -1.525 30 H GLY 8 H GLY 8 -3.543 17.949 0.206 31 HA2 GLY 8 1HA GLY 8 -4.255 16.482 -2.246 32 HA3 GLY 8 2HA GLY 8 -2.716 16.167 -1.459 33 H GLU 9 H GLU 9 -6.091 16.546 -0.363 34 HA GLU 9 HA GLU 9 -5.942 14.851 1.817 35 HB2 GLU 9 1HB GLU 9 -8.327 15.316 0.017 36 HB3 GLU 9 2HB GLU 9 -8.389 14.650 1.643 37 HG2 GLU 9 1HG GLU 9 -7.744 16.695 2.616 38 HG3 GLU 9 2HG GLU 9 -7.258 17.368 1.061 39 H LYS 10 H LYS 10 -6.569 12.683 2.165 40 HA LYS 10 HA LYS 10 -6.249 10.975 -0.211 41 HB2 LYS 10 1HB LYS 10 -5.722 10.278 2.683 42 HB3 LYS 10 2HB LYS 10 -5.408 9.249 1.292 43 HG2 LYS 10 1HG LYS 10 -3.317 10.075 1.700 44 HG3 LYS 10 2HG LYS 10 -3.911 11.252 0.525 45 HD2 LYS 10 1HD LYS 10 -4.577 12.728 2.392 46 HD3 LYS 10 2HD LYS 10 -3.889 11.565 3.528 47 HE2 LYS 10 1HE LYS 10 -1.734 12.076 2.957 48 HE3 LYS 10 2HE LYS 10 -2.166 12.548 1.314 49 HZ1 LYS 10 3HZ LYS 10 -3.412 14.435 2.699 50 HZ2 LYS 10 1HZ LYS 10 -1.820 14.595 2.149 51 HZ3 LYS 10 2HZ LYS 10 -2.120 14.134 3.748 52 HA PRO 11 HA PRO 11 -10.623 10.401 1.235 53 HB2 PRO 11 1HB PRO 11 -11.699 10.450 -1.257 54 HB3 PRO 11 2HB PRO 11 -11.408 11.912 -0.307 55 HG2 PRO 11 1HG PRO 11 -9.761 10.723 -2.506 56 HG3 PRO 11 2HG PRO 11 -10.185 12.420 -2.219 57 HD2 PRO 11 1HD PRO 11 -7.775 11.387 -1.543 58 HD3 PRO 11 2HD PRO 11 -8.549 12.689 -0.617 59 H TYR 12 H TYR 12 -8.282 8.655 -0.270 60 HA TYR 12 HA TYR 12 -10.062 6.341 -0.674 61 HB2 TYR 12 1HB TYR 12 -7.453 6.992 -2.058 62 HB3 TYR 12 2HB TYR 12 -8.331 5.478 -2.246 63 HD1 TYR 12 HD1 TYR 12 -8.478 9.119 -2.875 64 HD2 TYR 12 HD2 TYR 12 -10.200 5.317 -3.704 65 HE1 TYR 12 HE1 TYR 12 -9.799 10.120 -4.691 66 HE2 TYR 12 HE2 TYR 12 -11.525 6.308 -5.523 67 HH TYR 12 HH TYR 12 -11.898 9.639 -5.921 68 HA PRO 13 HA PRO 13 -7.414 5.295 2.931 69 HB2 PRO 13 1HB PRO 13 -9.330 3.824 4.171 70 HB3 PRO 13 2HB PRO 13 -9.215 5.580 4.330 71 HG2 PRO 13 1HG PRO 13 -11.006 3.950 2.571 72 HG3 PRO 13 2HG PRO 13 -11.392 5.386 3.537 73 HD2 PRO 13 1HD PRO 13 -10.949 5.502 0.868 74 HD3 PRO 13 2HD PRO 13 -10.525 6.832 1.965 75 H CYS 14 H CYS 14 -6.279 3.433 3.275 76 HA CYS 14 HA CYS 14 -6.362 1.420 1.269 77 HB2 CYS 14 1HB CYS 14 -4.240 1.941 2.230 78 HB3 CYS 14 2HB CYS 14 -4.837 1.660 3.862 79 H GLU 15 H GLU 15 -6.532 -0.917 1.731 80 HA GLU 15 HA GLU 15 -8.797 -1.414 3.527 81 HB2 GLU 15 1HB GLU 15 -9.382 -2.144 1.387 82 HB3 GLU 15 2HB GLU 15 -7.774 -2.774 1.058 83 HG2 GLU 15 1HG GLU 15 -8.156 -4.731 2.171 84 HG3 GLU 15 2HG GLU 15 -9.362 -4.017 3.239 85 H ILE 16 H ILE 16 -5.557 -2.549 2.731 86 HA ILE 16 HA ILE 16 -5.518 -4.742 4.518 87 HB ILE 16 HB ILE 16 -3.185 -3.120 3.492 88 HG12 ILE 16 1HG1 ILE 16 -3.116 -5.354 2.023 89 HG13 ILE 16 2HG1 ILE 16 -4.850 -5.290 2.317 90 HG21 ILE 16 1HG2 ILE 16 -3.325 -5.863 4.733 91 HG22 ILE 16 2HG2 ILE 16 -1.901 -5.199 3.934 92 HG23 ILE 16 3HG2 ILE 16 -2.529 -4.435 5.394 93 HD11 ILE 16 3HD1 ILE 16 -4.049 -2.701 1.553 94 HD12 ILE 16 1HD1 ILE 16 -3.294 -3.835 0.434 95 HD13 ILE 16 2HD1 ILE 16 -5.044 -3.849 0.657 96 H CYS 17 H CYS 17 -3.555 -1.789 4.840 97 HA CYS 17 HA CYS 17 -3.601 -2.098 7.733 98 HB2 CYS 17 1HB CYS 17 -1.937 -0.250 7.704 99 HB3 CYS 17 2HB CYS 17 -1.452 -1.629 6.723 100 H GLY 18 H GLY 18 -4.406 0.399 5.325 101 HA2 GLY 18 1HA GLY 18 -6.700 1.394 5.859 102 HA3 GLY 18 2HA GLY 18 -5.967 1.785 7.408 103 H THR 19 H THR 19 -3.370 2.258 5.857 104 HA THR 19 HA THR 19 -3.290 4.973 5.841 105 HB THR 19 HB THR 19 -1.807 2.993 4.131 106 HG1 THR 19 HG1 THR 19 -1.053 3.013 6.190 107 HG21 THR 19 3HG2 THR 19 -1.741 5.981 3.997 108 HG22 THR 19 1HG2 THR 19 -1.668 4.801 2.689 109 HG23 THR 19 2HG2 THR 19 -0.264 5.058 3.725 110 H ARG 20 H ARG 20 -3.986 6.613 4.598 111 HA ARG 20 HA ARG 20 -5.639 5.939 2.281 112 HB2 ARG 20 1HB ARG 20 -5.360 8.595 3.695 113 HB3 ARG 20 2HB ARG 20 -6.577 8.160 2.502 114 HG2 ARG 20 1HG ARG 20 -7.802 6.946 3.986 115 HG3 ARG 20 2HG ARG 20 -6.396 6.508 4.958 116 HD2 ARG 20 1HD ARG 20 -6.465 8.438 6.178 117 HD3 ARG 20 2HD ARG 20 -7.183 9.369 4.864 118 HE ARG 20 HE ARG 20 -9.156 7.652 5.560 119 HH11 ARG 20 1HH1 ARG 20 -7.173 9.881 7.354 120 HH12 ARG 20 2HH1 ARG 20 -8.385 10.199 8.551 121 HH21 ARG 20 1HH2 ARG 20 -10.759 8.062 7.129 122 HH22 ARG 20 2HH2 ARG 20 -10.424 9.162 8.423 123 H PHE 21 H PHE 21 -5.374 6.917 0.264 124 HA PHE 21 HA PHE 21 -2.783 8.257 -0.153 125 HB2 PHE 21 1HB PHE 21 -4.128 6.134 -1.822 126 HB3 PHE 21 2HB PHE 21 -2.841 7.157 -2.454 127 HD1 PHE 21 HD2 PHE 21 -3.627 4.746 0.255 128 HD2 PHE 21 HD1 PHE 21 -0.611 6.601 -2.106 129 HE1 PHE 21 HE2 PHE 21 -1.952 3.209 1.195 130 HE2 PHE 21 HE1 PHE 21 1.070 5.066 -1.170 131 HZ PHE 21 HZ PHE 21 0.400 3.368 0.483 132 H ARG 22 H ARG 22 -2.769 10.061 -1.389 133 HA ARG 22 HA ARG 22 -4.862 11.722 -1.673 134 HB2 ARG 22 1HB ARG 22 -2.509 12.282 -2.236 135 HB3 ARG 22 2HB ARG 22 -2.694 11.421 -3.758 136 HG2 ARG 22 1HG ARG 22 -4.311 12.997 -4.534 137 HG3 ARG 22 2HG ARG 22 -4.374 13.783 -2.955 138 HD2 ARG 22 1HD ARG 22 -2.301 14.774 -3.221 139 HD3 ARG 22 2HD ARG 22 -1.776 13.589 -4.417 140 HE ARG 22 HE ARG 22 -3.870 14.932 -5.584 141 HH11 ARG 22 1HH1 ARG 22 -0.769 15.783 -4.251 142 HH12 ARG 22 2HH1 ARG 22 -0.544 17.142 -5.302 143 HH21 ARG 22 1HH2 ARG 22 -3.585 16.718 -6.974 144 HH22 ARG 22 2HH2 ARG 22 -2.147 17.673 -6.850 145 H HIS 23 H HIS 23 -3.862 9.374 -4.154 146 HA HIS 23 HA HIS 23 -6.576 9.563 -5.287 147 HB2 HIS 23 1HB HIS 23 -3.914 9.584 -6.619 148 HB3 HIS 23 2HB HIS 23 -5.220 8.724 -7.428 149 HD2 HIS 23 HD2 HIS 23 -6.421 11.883 -5.622 150 HE1 HIS 23 HE1 HIS 23 -5.948 12.882 -9.718 151 HE2 HIS 23 HE2 HIS 23 -6.766 13.662 -7.468 152 H LEU 24 H LEU 24 -7.274 7.595 -6.452 153 HA LEU 24 HA LEU 24 -6.810 5.281 -4.839 154 HB2 LEU 24 1HB LEU 24 -8.985 5.924 -5.932 155 HB3 LEU 24 2HB LEU 24 -8.279 5.415 -7.464 156 HG LEU 24 HG LEU 24 -8.262 3.154 -6.830 157 HD11 LEU 24 1HD1 LEU 24 -9.160 2.713 -4.356 158 HD12 LEU 24 2HD1 LEU 24 -8.344 4.253 -4.086 159 HD13 LEU 24 3HD1 LEU 24 -7.446 2.881 -4.736 160 HD21 LEU 24 3HD2 LEU 24 -10.765 4.496 -5.828 161 HD22 LEU 24 1HD2 LEU 24 -10.606 2.750 -6.023 162 HD23 LEU 24 2HD2 LEU 24 -10.467 3.810 -7.427 163 H GLN 25 H GLN 25 -6.330 5.906 -8.320 164 HA GLN 25 HA GLN 25 -5.165 3.656 -9.192 165 HB2 GLN 25 1HB GLN 25 -3.721 5.046 -10.672 166 HB3 GLN 25 2HB GLN 25 -5.405 5.551 -10.654 167 HG2 GLN 25 1HG GLN 25 -4.955 7.496 -9.517 168 HG3 GLN 25 2HG GLN 25 -3.468 6.864 -8.811 169 HE21 GLN 25 1HE2 GLN 25 -4.929 7.925 -11.838 170 HE22 GLN 25 2HE2 GLN 25 -3.461 8.474 -12.565 171 H THR 26 H THR 26 -3.701 5.961 -7.000 172 HA THR 26 HA THR 26 -1.103 4.722 -7.077 173 HB THR 26 HB THR 26 -2.205 6.730 -5.102 174 HG1 THR 26 HG1 THR 26 -0.973 8.205 -6.442 175 HG21 THR 26 3HG2 THR 26 -0.221 6.714 -4.068 176 HG22 THR 26 1HG2 THR 26 0.661 6.730 -5.594 177 HG23 THR 26 2HG2 THR 26 0.095 5.202 -4.919 178 H LEU 27 H LEU 27 -3.871 4.746 -4.871 179 HA LEU 27 HA LEU 27 -2.749 3.313 -2.760 180 HB2 LEU 27 1HB LEU 27 -4.840 4.366 -2.435 181 HB3 LEU 27 2HB LEU 27 -5.566 3.503 -3.790 182 HG LEU 27 HG LEU 27 -5.544 1.435 -2.524 183 HD11 LEU 27 1HD1 LEU 27 -3.446 2.057 -1.242 184 HD12 LEU 27 2HD1 LEU 27 -4.710 1.227 -0.335 185 HD13 LEU 27 3HD1 LEU 27 -4.500 2.970 -0.161 186 HD21 LEU 27 3HD2 LEU 27 -6.946 2.343 -0.493 187 HD22 LEU 27 1HD2 LEU 27 -7.555 2.460 -2.145 188 HD23 LEU 27 2HD2 LEU 27 -6.821 3.866 -1.374 189 H LYS 28 H LYS 28 -4.530 2.122 -5.597 190 HA LYS 28 HA LYS 28 -4.566 -0.577 -5.024 191 HB2 LYS 28 1HB LYS 28 -4.297 0.855 -7.666 192 HB3 LYS 28 2HB LYS 28 -4.512 -0.886 -7.546 193 HG2 LYS 28 1HG LYS 28 -6.672 -0.679 -6.682 194 HG3 LYS 28 2HG LYS 28 -6.435 1.019 -6.259 195 HD2 LYS 28 1HD LYS 28 -6.607 1.716 -8.485 196 HD3 LYS 28 2HD LYS 28 -6.311 0.092 -9.111 197 HE2 LYS 28 1HE LYS 28 -8.465 -0.623 -8.621 198 HE3 LYS 28 2HE LYS 28 -8.722 0.649 -7.428 199 HZ1 LYS 28 3HZ LYS 28 -8.260 1.908 -9.854 200 HZ2 LYS 28 1HZ LYS 28 -9.720 1.814 -9.004 201 HZ3 LYS 28 2HZ LYS 28 -9.349 0.655 -10.178 202 H SER 29 H SER 29 -1.917 1.403 -6.153 203 HA SER 29 HA SER 29 -0.214 -0.856 -6.737 204 HB2 SER 29 1HB SER 29 0.099 2.123 -6.823 205 HB3 SER 29 2HB SER 29 1.537 1.103 -6.836 206 HG SER 29 HG SER 29 0.338 -0.036 -8.620 207 H HIS 30 H HIS 30 -1.047 0.993 -3.995 208 HA HIS 30 HA HIS 30 1.399 0.616 -2.542 209 HB2 HIS 30 1HB HIS 30 0.292 2.445 -1.704 210 HB3 HIS 30 2HB HIS 30 -1.299 1.730 -1.948 211 HD1 HIS 30 HD1 HIS 30 1.696 1.193 0.342 212 HD2 HIS 30 HD2 HIS 30 -2.450 0.918 0.357 213 HE1 HIS 30 HE1 HIS 30 1.071 0.576 2.699 214 H LEU 31 H LEU 31 -1.523 -1.184 -3.027 215 HA LEU 31 HA LEU 31 -1.349 -2.853 -0.742 216 HB2 LEU 31 1HB LEU 31 -2.567 -3.767 -3.311 217 HB3 LEU 31 2HB LEU 31 -3.093 -4.070 -1.656 218 HG LEU 31 HG LEU 31 -3.513 -1.620 -3.340 219 HD11 LEU 31 1HD1 LEU 31 -5.847 -2.145 -2.139 220 HD12 LEU 31 2HD1 LEU 31 -5.166 -3.771 -2.174 221 HD13 LEU 31 3HD1 LEU 31 -5.366 -2.868 -3.675 222 HD21 LEU 31 3HD2 LEU 31 -3.628 -1.883 -0.349 223 HD22 LEU 31 1HD2 LEU 31 -4.560 -0.669 -1.226 224 HD23 LEU 31 2HD2 LEU 31 -2.798 -0.662 -1.315 225 H ARG 32 H ARG 32 0.706 -2.574 -3.304 226 HA ARG 32 HA ARG 32 1.296 -5.313 -3.836 227 HB2 ARG 32 1HB ARG 32 2.560 -2.689 -4.482 228 HB3 ARG 32 2HB ARG 32 3.534 -4.144 -4.645 229 HG2 ARG 32 1HG ARG 32 2.482 -3.495 -6.754 230 HG3 ARG 32 2HG ARG 32 1.932 -5.079 -6.202 231 HD2 ARG 32 1HD ARG 32 -0.165 -4.273 -5.593 232 HD3 ARG 32 2HD ARG 32 0.392 -2.602 -5.526 233 HE ARG 32 HE ARG 32 0.038 -2.418 -7.791 234 HH11 ARG 32 1HH1 ARG 32 -0.167 -5.759 -6.836 235 HH12 ARG 32 2HH1 ARG 32 -0.792 -6.292 -8.362 236 HH21 ARG 32 1HH2 ARG 32 -0.784 -3.107 -9.804 237 HH22 ARG 32 2HH2 ARG 32 -1.142 -4.783 -10.049 238 H ILE 33 H ILE 33 2.604 -2.872 -1.652 239 HA ILE 33 HA ILE 33 4.781 -4.478 -0.741 240 HB ILE 33 HB ILE 33 5.162 -2.798 0.916 241 HG12 ILE 33 1HG1 ILE 33 2.647 -1.330 0.228 242 HG13 ILE 33 2HG1 ILE 33 2.567 -2.673 1.364 243 HG21 ILE 33 1HG2 ILE 33 4.490 -1.985 -1.835 244 HG22 ILE 33 2HG2 ILE 33 4.671 -0.676 -0.668 245 HG23 ILE 33 3HG2 ILE 33 5.995 -1.810 -0.932 246 HD11 ILE 33 3HD1 ILE 33 3.834 -0.009 1.653 247 HD12 ILE 33 1HD1 ILE 33 2.884 -0.947 2.806 248 HD13 ILE 33 2HD1 ILE 33 4.565 -1.378 2.491 249 H HIS 34 H HIS 34 1.468 -4.586 -0.175 250 HA HIS 34 HA HIS 34 1.638 -5.582 2.541 251 HB2 HIS 34 1HB HIS 34 -0.608 -5.087 0.610 252 HB3 HIS 34 2HB HIS 34 -0.876 -6.055 2.057 253 HD1 HIS 34 HD1 HIS 34 0.610 -4.489 4.164 254 HD2 HIS 34 HD2 HIS 34 -1.699 -2.688 1.217 255 HE1 HIS 34 HE1 HIS 34 -0.013 -2.232 5.083 256 H THR 35 H THR 35 -0.023 -6.984 -0.274 257 HA THR 35 HA THR 35 0.145 -9.627 0.652 258 HB THR 35 HB THR 35 -1.514 -9.080 -0.991 259 HG1 THR 35 HG1 THR 35 -1.066 -10.749 -2.520 260 HG21 THR 35 3HG2 THR 35 -0.310 -7.281 -2.139 261 HG22 THR 35 1HG2 THR 35 -0.940 -8.459 -3.289 262 HG23 THR 35 2HG2 THR 35 0.773 -8.467 -2.868 263 H GLY 36 H GLY 36 2.239 -7.761 -1.492 264 HA2 GLY 36 1HA GLY 36 3.888 -9.962 -2.248 265 HA3 GLY 36 2HA GLY 36 4.272 -8.260 -2.452 266 H SER 37 H SER 37 4.911 -7.104 -0.397 267 HA SER 37 HA SER 37 7.108 -8.478 0.764 268 HB2 SER 37 1HB SER 37 6.763 -5.926 0.355 269 HB3 SER 37 2HB SER 37 5.966 -5.955 1.928 270 HG SER 37 HG SER 37 7.967 -7.037 2.662 271 H GLY 38 H GLY 38 7.241 -9.658 2.568 272 HA2 GLY 38 1HA GLY 38 6.712 -10.105 4.856 273 HA3 GLY 38 2HA GLY 38 5.124 -9.400 4.591 274 HA PRO 39 HA PRO 39 4.997 -14.110 4.375 275 HB2 PRO 39 1HB PRO 39 3.408 -14.487 6.544 276 HB3 PRO 39 2HB PRO 39 5.172 -14.439 6.642 277 HG2 PRO 39 1HG PRO 39 3.183 -12.284 7.241 278 HG3 PRO 39 2HG PRO 39 4.637 -12.747 8.145 279 HD2 PRO 39 1HD PRO 39 4.577 -10.616 6.475 280 HD3 PRO 39 2HD PRO 39 6.039 -11.591 6.728 281 H SER 40 H SER 40 3.561 -14.739 2.902 282 HA SER 40 HA SER 40 0.797 -13.738 3.109 283 HB2 SER 40 1HB SER 40 0.659 -13.723 0.668 284 HB3 SER 40 2HB SER 40 1.990 -12.699 1.206 285 HG SER 40 HG SER 40 2.232 -14.455 -0.574 286 H SER 41 H SER 41 -0.861 -15.170 2.573 287 HA SER 41 HA SER 41 -0.366 -17.814 1.626 288 HB2 SER 41 1HB SER 41 -0.594 -17.331 4.561 289 HB3 SER 41 2HB SER 41 -1.394 -18.754 3.894 290 HG SER 41 HG SER 41 0.548 -19.565 4.154 291 H GLY 42 H GLY 42 -2.084 -18.109 0.377 292 HA2 GLY 42 1HA GLY 42 -4.500 -16.682 0.621 293 HA3 GLY 42 2HA GLY 42 -4.248 -18.099 -0.387 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.748 29.971 4.544 2 HA2 GLY 1 1HA GLY 1 -13.376 31.715 4.298 3 HA3 GLY 1 2HA GLY 1 -13.587 30.662 2.907 4 H SER 2 H SER 2 -15.764 31.120 2.655 5 HA SER 2 HA SER 2 -17.655 31.005 4.759 6 HB2 SER 2 1HB SER 2 -19.327 31.213 3.064 7 HB3 SER 2 2HB SER 2 -17.947 32.169 2.524 8 HG SER 2 HG SER 2 -18.709 30.892 0.829 9 H SER 3 H SER 3 -16.639 28.661 2.305 10 HA SER 3 HA SER 3 -18.299 26.614 3.593 11 HB2 SER 3 1HB SER 3 -18.626 26.738 1.210 12 HB3 SER 3 2HB SER 3 -16.888 26.667 0.918 13 HG SER 3 HG SER 3 -17.181 24.595 0.810 14 H GLY 4 H GLY 4 -14.980 27.084 2.386 15 HA2 GLY 4 1HA GLY 4 -13.515 26.262 4.479 16 HA3 GLY 4 2HA GLY 4 -14.061 24.730 3.812 17 H SER 5 H SER 5 -11.820 24.237 3.449 18 HA SER 5 HA SER 5 -10.968 25.023 0.811 19 HB2 SER 5 1HB SER 5 -8.864 25.981 1.385 20 HB3 SER 5 2HB SER 5 -10.062 26.807 2.381 21 HG SER 5 HG SER 5 -8.461 24.618 3.223 22 H SER 6 H SER 6 -10.003 23.358 -0.170 23 HA SER 6 HA SER 6 -8.748 21.276 1.480 24 HB2 SER 6 1HB SER 6 -11.075 20.604 0.828 25 HB3 SER 6 2HB SER 6 -10.575 20.696 -0.861 26 HG SER 6 HG SER 6 -8.784 19.224 0.386 27 H GLY 7 H GLY 7 -7.092 20.086 0.467 28 HA2 GLY 7 1HA GLY 7 -6.270 20.983 -2.205 29 HA3 GLY 7 2HA GLY 7 -5.138 21.167 -0.874 30 H GLY 8 H GLY 8 -4.163 19.338 0.034 31 HA2 GLY 8 1HA GLY 8 -4.251 16.987 -1.730 32 HA3 GLY 8 2HA GLY 8 -2.920 17.418 -0.666 33 H GLU 9 H GLU 9 -6.141 16.040 -0.824 34 HA GLU 9 HA GLU 9 -5.784 14.997 1.906 35 HB2 GLU 9 1HB GLU 9 -8.220 15.704 0.310 36 HB3 GLU 9 2HB GLU 9 -8.335 14.516 1.601 37 HG2 GLU 9 1HG GLU 9 -7.249 16.290 3.084 38 HG3 GLU 9 2HG GLU 9 -7.636 17.422 1.790 39 H LYS 10 H LYS 10 -6.557 12.807 2.312 40 HA LYS 10 HA LYS 10 -6.179 11.076 -0.042 41 HB2 LYS 10 1HB LYS 10 -5.705 10.294 2.833 42 HB3 LYS 10 2HB LYS 10 -5.217 9.420 1.387 43 HG2 LYS 10 1HG LYS 10 -3.680 11.269 0.829 44 HG3 LYS 10 2HG LYS 10 -4.124 12.057 2.345 45 HD2 LYS 10 1HD LYS 10 -3.194 10.282 3.631 46 HD3 LYS 10 2HD LYS 10 -2.990 9.269 2.199 47 HE2 LYS 10 1HE LYS 10 -0.847 10.121 2.708 48 HE3 LYS 10 2HE LYS 10 -1.422 11.049 1.324 49 HZ1 LYS 10 3HZ LYS 10 -2.167 12.268 3.789 50 HZ2 LYS 10 1HZ LYS 10 -1.306 12.919 2.486 51 HZ3 LYS 10 2HZ LYS 10 -0.491 12.061 3.693 52 HA PRO 11 HA PRO 11 -10.540 10.482 1.480 53 HB2 PRO 11 1HB PRO 11 -11.676 10.619 -0.982 54 HB3 PRO 11 2HB PRO 11 -11.366 12.046 0.014 55 HG2 PRO 11 1HG PRO 11 -9.769 10.945 -2.266 56 HG3 PRO 11 2HG PRO 11 -10.191 12.630 -1.906 57 HD2 PRO 11 1HD PRO 11 -7.763 11.580 -1.327 58 HD3 PRO 11 2HD PRO 11 -8.517 12.845 -0.336 59 H TYR 12 H TYR 12 -8.228 8.796 -0.125 60 HA TYR 12 HA TYR 12 -10.016 6.505 -0.618 61 HB2 TYR 12 1HB TYR 12 -7.380 7.183 -1.936 62 HB3 TYR 12 2HB TYR 12 -8.274 5.690 -2.199 63 HD1 TYR 12 HD1 TYR 12 -8.410 9.364 -2.642 64 HD2 TYR 12 HD2 TYR 12 -10.075 5.602 -3.729 65 HE1 TYR 12 HE1 TYR 12 -9.691 10.456 -4.436 66 HE2 TYR 12 HE2 TYR 12 -11.359 6.684 -5.526 67 HH TYR 12 HH TYR 12 -11.294 10.195 -5.975 68 HA PRO 13 HA PRO 13 -7.440 5.294 2.984 69 HB2 PRO 13 1HB PRO 13 -9.378 3.767 4.116 70 HB3 PRO 13 2HB PRO 13 -9.270 5.515 4.355 71 HG2 PRO 13 1HG PRO 13 -11.020 3.962 2.487 72 HG3 PRO 13 2HG PRO 13 -11.430 5.354 3.508 73 HD2 PRO 13 1HD PRO 13 -10.930 5.588 0.857 74 HD3 PRO 13 2HD PRO 13 -10.532 6.868 2.020 75 H CYS 14 H CYS 14 -6.447 3.326 3.438 76 HA CYS 14 HA CYS 14 -6.509 1.400 1.291 77 HB2 CYS 14 1HB CYS 14 -4.343 1.873 2.106 78 HB3 CYS 14 2HB CYS 14 -4.847 1.703 3.785 79 H GLU 15 H GLU 15 -6.669 -0.932 1.700 80 HA GLU 15 HA GLU 15 -8.845 -1.480 3.580 81 HB2 GLU 15 1HB GLU 15 -9.361 -2.165 1.357 82 HB3 GLU 15 2HB GLU 15 -7.805 -2.960 1.169 83 HG2 GLU 15 1HG GLU 15 -9.180 -4.753 1.509 84 HG3 GLU 15 2HG GLU 15 -8.632 -4.432 3.153 85 H ILE 16 H ILE 16 -5.618 -2.598 2.685 86 HA ILE 16 HA ILE 16 -5.471 -4.778 4.454 87 HB ILE 16 HB ILE 16 -3.217 -3.039 3.442 88 HG12 ILE 16 1HG1 ILE 16 -3.041 -5.262 1.967 89 HG13 ILE 16 2HG1 ILE 16 -4.774 -5.290 2.270 90 HG21 ILE 16 1HG2 ILE 16 -2.108 -4.207 5.031 91 HG22 ILE 16 2HG2 ILE 16 -3.308 -5.497 5.076 92 HG23 ILE 16 3HG2 ILE 16 -2.108 -5.454 3.785 93 HD11 ILE 16 3HD1 ILE 16 -5.067 -3.839 0.635 94 HD12 ILE 16 1HD1 ILE 16 -4.085 -2.659 1.503 95 HD13 ILE 16 2HD1 ILE 16 -3.325 -3.773 0.366 96 H CYS 17 H CYS 17 -3.614 -1.766 4.841 97 HA CYS 17 HA CYS 17 -3.723 -2.120 7.736 98 HB2 CYS 17 1HB CYS 17 -2.019 -0.304 7.770 99 HB3 CYS 17 2HB CYS 17 -1.529 -1.699 6.814 100 H GLY 18 H GLY 18 -4.374 0.413 5.319 101 HA2 GLY 18 1HA GLY 18 -6.676 1.444 5.804 102 HA3 GLY 18 2HA GLY 18 -5.951 1.845 7.353 103 H THR 19 H THR 19 -3.334 2.222 5.780 104 HA THR 19 HA THR 19 -3.204 4.945 5.731 105 HB THR 19 HB THR 19 -1.739 2.952 4.004 106 HG1 THR 19 HG1 THR 19 -0.030 3.774 5.532 107 HG21 THR 19 3HG2 THR 19 -1.437 5.939 4.168 108 HG22 THR 19 1HG2 THR 19 -1.571 4.925 2.732 109 HG23 THR 19 2HG2 THR 19 -0.098 4.892 3.701 110 H ARG 20 H ARG 20 -4.102 6.511 4.568 111 HA ARG 20 HA ARG 20 -5.685 5.842 2.237 112 HB2 ARG 20 1HB ARG 20 -5.241 8.513 3.582 113 HB3 ARG 20 2HB ARG 20 -6.441 8.169 2.343 114 HG2 ARG 20 1HG ARG 20 -7.821 7.078 3.781 115 HG3 ARG 20 2HG ARG 20 -6.496 6.515 4.802 116 HD2 ARG 20 1HD ARG 20 -7.310 9.406 4.650 117 HD3 ARG 20 2HD ARG 20 -8.039 8.275 5.791 118 HE ARG 20 HE ARG 20 -5.184 8.272 5.922 119 HH11 ARG 20 1HH1 ARG 20 -8.052 9.949 6.961 120 HH12 ARG 20 2HH1 ARG 20 -7.309 10.612 8.379 121 HH21 ARG 20 1HH2 ARG 20 -4.194 9.139 7.785 122 HH22 ARG 20 2HH2 ARG 20 -5.114 10.151 8.846 123 H PHE 21 H PHE 21 -5.582 7.423 0.343 124 HA PHE 21 HA PHE 21 -2.898 8.396 -0.232 125 HB2 PHE 21 1HB PHE 21 -4.277 6.236 -1.827 126 HB3 PHE 21 2HB PHE 21 -2.958 7.205 -2.474 127 HD1 PHE 21 HD2 PHE 21 -3.838 4.903 0.299 128 HD2 PHE 21 HD1 PHE 21 -0.746 6.607 -2.077 129 HE1 PHE 21 HE2 PHE 21 -2.214 3.356 1.310 130 HE2 PHE 21 HE1 PHE 21 0.884 5.062 -1.071 131 HZ PHE 21 HZ PHE 21 0.151 3.435 0.625 132 H ARG 22 H ARG 22 -2.887 10.155 -1.531 133 HA ARG 22 HA ARG 22 -5.021 11.780 -1.876 134 HB2 ARG 22 1HB ARG 22 -2.739 12.494 -2.347 135 HB3 ARG 22 2HB ARG 22 -2.690 11.470 -3.776 136 HG2 ARG 22 1HG ARG 22 -3.144 13.464 -4.760 137 HG3 ARG 22 2HG ARG 22 -4.794 12.920 -4.448 138 HD2 ARG 22 1HD ARG 22 -4.892 15.051 -3.611 139 HD3 ARG 22 2HD ARG 22 -4.429 14.157 -2.163 140 HE ARG 22 HE ARG 22 -2.534 15.409 -2.127 141 HH11 ARG 22 1HH1 ARG 22 -3.624 15.185 -5.425 142 HH12 ARG 22 2HH1 ARG 22 -2.353 16.184 -6.050 143 HH21 ARG 22 1HH2 ARG 22 -0.857 16.725 -2.937 144 HH22 ARG 22 2HH2 ARG 22 -0.779 17.058 -4.634 145 H HIS 23 H HIS 23 -3.823 9.539 -4.379 146 HA HIS 23 HA HIS 23 -6.483 9.676 -5.639 147 HB2 HIS 23 1HB HIS 23 -3.729 9.481 -6.763 148 HB3 HIS 23 2HB HIS 23 -5.029 8.665 -7.626 149 HD2 HIS 23 HD2 HIS 23 -4.364 12.360 -6.353 150 HE1 HIS 23 HE1 HIS 23 -6.636 12.458 -9.934 151 HE2 HIS 23 HE2 HIS 23 -5.410 13.825 -8.210 152 H LEU 24 H LEU 24 -7.221 7.686 -6.703 153 HA LEU 24 HA LEU 24 -6.922 5.440 -4.950 154 HB2 LEU 24 1HB LEU 24 -9.049 6.107 -6.081 155 HB3 LEU 24 2HB LEU 24 -8.346 5.559 -7.602 156 HG LEU 24 HG LEU 24 -9.967 3.991 -6.401 157 HD11 LEU 24 1HD1 LEU 24 -7.565 3.510 -7.871 158 HD12 LEU 24 2HD1 LEU 24 -9.077 2.602 -7.878 159 HD13 LEU 24 3HD1 LEU 24 -7.815 2.204 -6.712 160 HD21 LEU 24 3HD2 LEU 24 -9.399 2.955 -4.468 161 HD22 LEU 24 1HD2 LEU 24 -8.501 4.452 -4.215 162 HD23 LEU 24 2HD2 LEU 24 -7.670 3.015 -4.812 163 H GLN 25 H GLN 25 -6.428 5.784 -8.469 164 HA GLN 25 HA GLN 25 -5.322 3.445 -9.154 165 HB2 GLN 25 1HB GLN 25 -3.849 4.673 -10.750 166 HB3 GLN 25 2HB GLN 25 -5.524 5.209 -10.773 167 HG2 GLN 25 1HG GLN 25 -5.033 7.223 -9.743 168 HG3 GLN 25 2HG GLN 25 -3.507 6.629 -9.089 169 HE21 GLN 25 1HE2 GLN 25 -1.721 7.184 -10.115 170 HE22 GLN 25 2HE2 GLN 25 -1.627 7.793 -11.729 171 H THR 26 H THR 26 -3.832 5.841 -7.105 172 HA THR 26 HA THR 26 -1.228 4.627 -7.133 173 HB THR 26 HB THR 26 -2.398 6.676 -5.240 174 HG1 THR 26 HG1 THR 26 -2.223 7.650 -7.193 175 HG21 THR 26 3HG2 THR 26 0.476 6.701 -5.530 176 HG22 THR 26 1HG2 THR 26 -0.085 5.138 -4.936 177 HG23 THR 26 2HG2 THR 26 -0.501 6.614 -4.065 178 H LEU 27 H LEU 27 -3.890 4.803 -4.777 179 HA LEU 27 HA LEU 27 -2.774 3.356 -2.712 180 HB2 LEU 27 1HB LEU 27 -4.840 4.382 -2.311 181 HB3 LEU 27 2HB LEU 27 -5.594 3.600 -3.699 182 HG LEU 27 HG LEU 27 -5.596 1.470 -2.518 183 HD11 LEU 27 1HD1 LEU 27 -4.323 3.028 -0.275 184 HD12 LEU 27 2HD1 LEU 27 -3.601 1.705 -1.189 185 HD13 LEU 27 3HD1 LEU 27 -4.976 1.396 -0.128 186 HD21 LEU 27 3HD2 LEU 27 -7.566 2.031 -1.663 187 HD22 LEU 27 1HD2 LEU 27 -7.144 3.726 -1.905 188 HD23 LEU 27 2HD2 LEU 27 -6.794 2.942 -0.364 189 H LYS 28 H LYS 28 -4.362 2.166 -5.632 190 HA LYS 28 HA LYS 28 -4.494 -0.544 -4.979 191 HB2 LYS 28 1HB LYS 28 -4.282 0.931 -7.588 192 HB3 LYS 28 2HB LYS 28 -4.294 -0.828 -7.549 193 HG2 LYS 28 1HG LYS 28 -6.470 -0.902 -6.671 194 HG3 LYS 28 2HG LYS 28 -6.441 0.809 -6.239 195 HD2 LYS 28 1HD LYS 28 -6.603 1.482 -8.497 196 HD3 LYS 28 2HD LYS 28 -6.226 -0.138 -9.087 197 HE2 LYS 28 1HE LYS 28 -8.675 0.445 -7.446 198 HE3 LYS 28 2HE LYS 28 -8.661 0.608 -9.201 199 HZ1 LYS 28 3HZ LYS 28 -9.291 -1.536 -9.095 200 HZ2 LYS 28 1HZ LYS 28 -8.624 -1.790 -7.561 201 HZ3 LYS 28 2HZ LYS 28 -7.632 -1.824 -8.931 202 H SER 29 H SER 29 -1.819 1.423 -6.042 203 HA SER 29 HA SER 29 -0.112 -0.851 -6.583 204 HB2 SER 29 1HB SER 29 -0.035 1.455 -7.752 205 HB3 SER 29 2HB SER 29 0.834 1.995 -6.315 206 HG SER 29 HG SER 29 2.329 1.304 -7.820 207 H HIS 30 H HIS 30 -1.043 0.950 -3.870 208 HA HIS 30 HA HIS 30 1.394 0.645 -2.371 209 HB2 HIS 30 1HB HIS 30 0.245 2.462 -1.565 210 HB3 HIS 30 2HB HIS 30 -1.331 1.724 -1.840 211 HD1 HIS 30 HD1 HIS 30 1.620 1.244 0.519 212 HD2 HIS 30 HD2 HIS 30 -2.520 0.905 0.443 213 HE1 HIS 30 HE1 HIS 30 0.953 0.630 2.865 214 H LEU 31 H LEU 31 -1.383 -1.271 -3.017 215 HA LEU 31 HA LEU 31 -1.264 -2.908 -0.679 216 HB2 LEU 31 1HB LEU 31 -2.418 -3.862 -3.259 217 HB3 LEU 31 2HB LEU 31 -2.979 -4.141 -1.612 218 HG LEU 31 HG LEU 31 -3.409 -1.750 -3.369 219 HD11 LEU 31 1HD1 LEU 31 -5.326 -2.858 -3.630 220 HD12 LEU 31 2HD1 LEU 31 -5.706 -2.341 -1.988 221 HD13 LEU 31 3HD1 LEU 31 -4.996 -3.930 -2.269 222 HD21 LEU 31 3HD2 LEU 31 -3.454 -1.883 -0.373 223 HD22 LEU 31 1HD2 LEU 31 -4.482 -0.757 -1.261 224 HD23 LEU 31 2HD2 LEU 31 -2.728 -0.663 -1.420 225 H ARG 32 H ARG 32 0.809 -2.597 -3.234 226 HA ARG 32 HA ARG 32 1.463 -5.293 -3.807 227 HB2 ARG 32 1HB ARG 32 2.712 -2.639 -4.290 228 HB3 ARG 32 2HB ARG 32 3.756 -4.050 -4.397 229 HG2 ARG 32 1HG ARG 32 2.950 -3.550 -6.581 230 HG3 ARG 32 2HG ARG 32 2.159 -5.029 -6.033 231 HD2 ARG 32 1HD ARG 32 0.115 -3.987 -5.751 232 HD3 ARG 32 2HD ARG 32 0.839 -2.389 -5.579 233 HE ARG 32 HE ARG 32 0.674 -2.131 -7.839 234 HH11 ARG 32 1HH1 ARG 32 0.493 -5.526 -7.089 235 HH12 ARG 32 2HH1 ARG 32 0.144 -6.001 -8.718 236 HH21 ARG 32 1HH2 ARG 32 0.216 -2.744 -9.988 237 HH22 ARG 32 2HH2 ARG 32 -0.012 -4.418 -10.367 238 H ILE 33 H ILE 33 2.555 -3.002 -1.379 239 HA ILE 33 HA ILE 33 4.699 -4.668 -0.442 240 HB ILE 33 HB ILE 33 5.082 -3.045 1.231 241 HG12 ILE 33 1HG1 ILE 33 2.364 -1.858 0.640 242 HG13 ILE 33 2HG1 ILE 33 2.700 -2.930 1.995 243 HG21 ILE 33 1HG2 ILE 33 4.476 -2.166 -1.478 244 HG22 ILE 33 2HG2 ILE 33 4.423 -0.859 -0.297 245 HG23 ILE 33 3HG2 ILE 33 5.882 -1.834 -0.467 246 HD11 ILE 33 3HD1 ILE 33 4.467 -1.220 2.673 247 HD12 ILE 33 1HD1 ILE 33 3.671 -0.137 1.531 248 HD13 ILE 33 2HD1 ILE 33 2.773 -0.789 2.902 249 H HIS 34 H HIS 34 1.350 -4.678 -0.040 250 HA HIS 34 HA HIS 34 1.368 -5.810 2.630 251 HB2 HIS 34 1HB HIS 34 -0.802 -5.173 0.643 252 HB3 HIS 34 2HB HIS 34 -1.135 -6.109 2.097 253 HD1 HIS 34 HD1 HIS 34 0.427 -4.572 4.190 254 HD2 HIS 34 HD2 HIS 34 -1.822 -2.732 1.220 255 HE1 HIS 34 HE1 HIS 34 -0.111 -2.281 5.076 256 H THR 35 H THR 35 0.892 -6.878 -0.695 257 HA THR 35 HA THR 35 0.751 -9.661 0.256 258 HB THR 35 HB THR 35 -1.165 -9.255 -1.057 259 HG1 THR 35 HG1 THR 35 0.700 -10.336 -2.917 260 HG21 THR 35 3HG2 THR 35 -0.583 -8.426 -3.553 261 HG22 THR 35 1HG2 THR 35 0.676 -7.581 -2.653 262 HG23 THR 35 2HG2 THR 35 -1.022 -7.329 -2.244 263 H GLY 36 H GLY 36 3.112 -9.555 0.548 264 HA2 GLY 36 1HA GLY 36 4.449 -10.307 -1.953 265 HA3 GLY 36 2HA GLY 36 5.170 -9.039 -0.974 266 H SER 37 H SER 37 7.034 -10.476 -0.909 267 HA SER 37 HA SER 37 6.702 -12.749 0.926 268 HB2 SER 37 1HB SER 37 8.643 -12.133 -1.262 269 HB3 SER 37 2HB SER 37 9.181 -13.145 0.079 270 HG SER 37 HG SER 37 6.777 -13.667 -1.311 271 H GLY 38 H GLY 38 6.689 -11.607 2.870 272 HA2 GLY 38 1HA GLY 38 9.238 -11.084 4.002 273 HA3 GLY 38 2HA GLY 38 8.419 -9.572 3.639 274 HA PRO 39 HA PRO 39 7.150 -10.700 7.902 275 HB2 PRO 39 1HB PRO 39 7.102 -8.136 8.792 276 HB3 PRO 39 2HB PRO 39 8.576 -9.110 8.748 277 HG2 PRO 39 1HG PRO 39 7.620 -7.035 6.814 278 HG3 PRO 39 2HG PRO 39 9.251 -7.296 7.459 279 HD2 PRO 39 1HD PRO 39 8.504 -8.144 4.998 280 HD3 PRO 39 2HD PRO 39 9.693 -9.015 5.988 281 H SER 40 H SER 40 5.727 -9.319 5.267 282 HA SER 40 HA SER 40 3.616 -7.810 5.869 283 HB2 SER 40 1HB SER 40 3.497 -10.343 4.215 284 HB3 SER 40 2HB SER 40 2.274 -9.072 4.193 285 HG SER 40 HG SER 40 4.902 -8.277 3.779 286 H SER 41 H SER 41 1.762 -7.865 7.015 287 HA SER 41 HA SER 41 1.345 -10.187 8.744 288 HB2 SER 41 1HB SER 41 -0.037 -8.707 10.106 289 HB3 SER 41 2HB SER 41 1.522 -7.946 9.791 290 HG SER 41 HG SER 41 -0.728 -6.830 9.404 291 H GLY 42 H GLY 42 -0.448 -11.440 8.692 292 HA2 GLY 42 1HA GLY 42 -2.132 -11.251 6.359 293 HA3 GLY 42 2HA GLY 42 -2.193 -12.500 7.594 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.825 17.036 6.687 2 HA2 GLY 1 1HA GLY 1 0.909 14.643 6.968 3 HA3 GLY 1 2HA GLY 1 2.053 14.585 8.301 4 H SER 2 H SER 2 -1.097 14.942 7.644 5 HA SER 2 HA SER 2 -2.887 16.007 8.618 6 HB2 SER 2 1HB SER 2 -1.165 14.936 10.815 7 HB3 SER 2 2HB SER 2 -2.583 15.894 11.244 8 HG SER 2 HG SER 2 -3.685 14.375 9.687 9 H SER 3 H SER 3 -1.120 17.906 7.662 10 HA SER 3 HA SER 3 -1.188 19.968 9.767 11 HB2 SER 3 1HB SER 3 0.681 19.779 7.392 12 HB3 SER 3 2HB SER 3 0.673 21.073 8.590 13 HG SER 3 HG SER 3 1.587 18.454 8.797 14 H GLY 4 H GLY 4 -1.242 19.634 6.211 15 HA2 GLY 4 1HA GLY 4 -2.275 22.102 5.555 16 HA3 GLY 4 2HA GLY 4 -2.581 20.636 4.635 17 H SER 5 H SER 5 -4.402 22.793 4.936 18 HA SER 5 HA SER 5 -6.579 21.391 6.333 19 HB2 SER 5 1HB SER 5 -7.398 23.374 7.308 20 HB3 SER 5 2HB SER 5 -5.654 23.464 7.554 21 HG SER 5 HG SER 5 -5.497 24.960 5.961 22 H SER 6 H SER 6 -8.138 20.871 4.964 23 HA SER 6 HA SER 6 -9.435 20.792 3.091 24 HB2 SER 6 1HB SER 6 -9.328 23.728 3.731 25 HB3 SER 6 2HB SER 6 -10.234 23.145 2.335 26 HG SER 6 HG SER 6 -11.757 22.645 3.675 27 H GLY 7 H GLY 7 -6.662 20.606 2.596 28 HA2 GLY 7 1HA GLY 7 -6.647 21.325 -0.205 29 HA3 GLY 7 2HA GLY 7 -5.446 22.171 0.761 30 H GLY 8 H GLY 8 -6.502 19.031 -0.407 31 HA2 GLY 8 1HA GLY 8 -4.969 17.395 -1.191 32 HA3 GLY 8 2HA GLY 8 -3.735 18.094 -0.154 33 H GLU 9 H GLU 9 -6.677 16.146 -0.173 34 HA GLU 9 HA GLU 9 -5.819 14.979 2.395 35 HB2 GLU 9 1HB GLU 9 -8.099 16.303 2.125 36 HB3 GLU 9 2HB GLU 9 -8.651 14.764 1.478 37 HG2 GLU 9 1HG GLU 9 -9.147 14.954 3.845 38 HG3 GLU 9 2HG GLU 9 -8.006 13.646 3.537 39 H LYS 10 H LYS 10 -6.584 12.698 2.704 40 HA LYS 10 HA LYS 10 -6.236 11.211 0.189 41 HB2 LYS 10 1HB LYS 10 -5.591 10.484 3.046 42 HB3 LYS 10 2HB LYS 10 -5.559 9.317 1.730 43 HG2 LYS 10 1HG LYS 10 -3.682 10.222 0.785 44 HG3 LYS 10 2HG LYS 10 -3.989 11.829 1.449 45 HD2 LYS 10 1HD LYS 10 -3.304 11.125 3.635 46 HD3 LYS 10 2HD LYS 10 -3.200 9.441 3.114 47 HE2 LYS 10 1HE LYS 10 -1.548 11.589 1.825 48 HE3 LYS 10 2HE LYS 10 -1.023 10.793 3.307 49 HZ1 LYS 10 3HZ LYS 10 -1.334 8.646 2.065 50 HZ2 LYS 10 1HZ LYS 10 -0.050 9.614 1.541 51 HZ3 LYS 10 2HZ LYS 10 -1.488 9.565 0.653 52 HA PRO 11 HA PRO 11 -10.620 10.436 1.484 53 HB2 PRO 11 1HB PRO 11 -11.635 10.628 -1.026 54 HB3 PRO 11 2HB PRO 11 -11.399 12.030 0.024 55 HG2 PRO 11 1HG PRO 11 -9.674 11.020 -2.204 56 HG3 PRO 11 2HG PRO 11 -10.140 12.687 -1.818 57 HD2 PRO 11 1HD PRO 11 -7.727 11.658 -1.149 58 HD3 PRO 11 2HD PRO 11 -8.550 12.881 -0.161 59 H TYR 12 H TYR 12 -8.205 8.831 -0.046 60 HA TYR 12 HA TYR 12 -9.928 6.530 -0.695 61 HB2 TYR 12 1HB TYR 12 -7.240 7.287 -1.857 62 HB3 TYR 12 2HB TYR 12 -8.091 5.786 -2.205 63 HD1 TYR 12 HD1 TYR 12 -8.256 9.466 -2.570 64 HD2 TYR 12 HD2 TYR 12 -9.827 5.713 -3.815 65 HE1 TYR 12 HE1 TYR 12 -9.464 10.585 -4.397 66 HE2 TYR 12 HE2 TYR 12 -11.038 6.821 -5.646 67 HH TYR 12 HH TYR 12 -11.295 10.259 -5.864 68 HA PRO 13 HA PRO 13 -7.499 5.272 2.999 69 HB2 PRO 13 1HB PRO 13 -9.480 3.731 4.033 70 HB3 PRO 13 2HB PRO 13 -9.380 5.475 4.304 71 HG2 PRO 13 1HG PRO 13 -11.060 3.956 2.346 72 HG3 PRO 13 2HG PRO 13 -11.506 5.331 3.373 73 HD2 PRO 13 1HD PRO 13 -10.906 5.607 0.747 74 HD3 PRO 13 2HD PRO 13 -10.551 6.868 1.945 75 H CYS 14 H CYS 14 -6.525 3.296 3.457 76 HA CYS 14 HA CYS 14 -6.524 1.399 1.281 77 HB2 CYS 14 1HB CYS 14 -4.402 2.016 2.287 78 HB3 CYS 14 2HB CYS 14 -4.964 1.487 3.870 79 H GLU 15 H GLU 15 -6.640 -0.953 1.701 80 HA GLU 15 HA GLU 15 -8.868 -1.522 3.519 81 HB2 GLU 15 1HB GLU 15 -9.405 -2.203 1.325 82 HB3 GLU 15 2HB GLU 15 -7.813 -2.901 1.062 83 HG2 GLU 15 1HG GLU 15 -9.236 -4.729 1.326 84 HG3 GLU 15 2HG GLU 15 -8.412 -4.572 2.876 85 H ILE 16 H ILE 16 -5.591 -2.514 2.724 86 HA ILE 16 HA ILE 16 -5.490 -4.748 4.469 87 HB ILE 16 HB ILE 16 -3.224 -3.051 3.416 88 HG12 ILE 16 1HG1 ILE 16 -3.084 -5.323 1.998 89 HG13 ILE 16 2HG1 ILE 16 -4.818 -5.298 2.297 90 HG21 ILE 16 1HG2 ILE 16 -2.030 -5.350 3.805 91 HG22 ILE 16 2HG2 ILE 16 -2.221 -4.202 5.130 92 HG23 ILE 16 3HG2 ILE 16 -3.314 -5.579 4.992 93 HD11 ILE 16 3HD1 ILE 16 -3.969 -2.709 1.451 94 HD12 ILE 16 1HD1 ILE 16 -3.381 -3.926 0.319 95 HD13 ILE 16 2HD1 ILE 16 -5.103 -3.819 0.684 96 H CYS 17 H CYS 17 -3.572 -1.772 4.817 97 HA CYS 17 HA CYS 17 -3.682 -2.088 7.716 98 HB2 CYS 17 1HB CYS 17 -1.930 -0.340 7.742 99 HB3 CYS 17 2HB CYS 17 -1.486 -1.717 6.739 100 H GLY 18 H GLY 18 -4.301 0.423 5.268 101 HA2 GLY 18 1HA GLY 18 -6.580 1.505 5.751 102 HA3 GLY 18 2HA GLY 18 -5.841 1.910 7.293 103 H THR 19 H THR 19 -3.209 2.285 5.854 104 HA THR 19 HA THR 19 -2.995 4.960 5.742 105 HB THR 19 HB THR 19 -1.678 2.985 3.874 106 HG1 THR 19 HG1 THR 19 -0.317 4.316 5.915 107 HG21 THR 19 3HG2 THR 19 -0.107 4.662 3.259 108 HG22 THR 19 1HG2 THR 19 -0.767 5.805 4.427 109 HG23 THR 19 2HG2 THR 19 -1.707 5.356 3.004 110 H ARG 20 H ARG 20 -4.192 6.462 4.787 111 HA ARG 20 HA ARG 20 -5.707 5.896 2.403 112 HB2 ARG 20 1HB ARG 20 -5.393 8.598 3.696 113 HB3 ARG 20 2HB ARG 20 -6.736 8.001 2.730 114 HG2 ARG 20 1HG ARG 20 -7.565 6.692 4.466 115 HG3 ARG 20 2HG ARG 20 -6.038 6.733 5.349 116 HD2 ARG 20 1HD ARG 20 -6.374 8.937 6.057 117 HD3 ARG 20 2HD ARG 20 -7.612 9.233 4.837 118 HE ARG 20 HE ARG 20 -8.350 7.190 6.703 119 HH11 ARG 20 1HH1 ARG 20 -8.233 10.626 6.158 120 HH12 ARG 20 2HH1 ARG 20 -9.526 10.976 7.257 121 HH21 ARG 20 1HH2 ARG 20 -10.054 7.637 8.152 122 HH22 ARG 20 2HH2 ARG 20 -10.561 9.275 8.391 123 H PHE 21 H PHE 21 -5.643 7.321 0.503 124 HA PHE 21 HA PHE 21 -3.009 8.512 0.001 125 HB2 PHE 21 1HB PHE 21 -4.413 6.471 -1.724 126 HB3 PHE 21 2HB PHE 21 -3.113 7.496 -2.323 127 HD1 PHE 21 HD2 PHE 21 -3.907 5.017 0.328 128 HD2 PHE 21 HD1 PHE 21 -0.903 6.846 -2.070 129 HE1 PHE 21 HE2 PHE 21 -2.253 3.407 1.178 130 HE2 PHE 21 HE1 PHE 21 0.756 5.237 -1.224 131 HZ PHE 21 HZ PHE 21 0.082 3.515 0.403 132 H ARG 22 H ARG 22 -3.015 9.840 -2.039 133 HA ARG 22 HA ARG 22 -5.257 11.623 -1.966 134 HB2 ARG 22 1HB ARG 22 -4.007 12.911 -3.647 135 HB3 ARG 22 2HB ARG 22 -2.999 12.488 -2.269 136 HG2 ARG 22 1HG ARG 22 -1.835 10.848 -3.493 137 HG3 ARG 22 2HG ARG 22 -3.019 10.876 -4.800 138 HD2 ARG 22 1HD ARG 22 -1.352 12.140 -5.730 139 HD3 ARG 22 2HD ARG 22 -2.309 13.401 -4.952 140 HE ARG 22 HE ARG 22 -0.218 12.349 -3.286 141 HH11 ARG 22 1HH1 ARG 22 -1.013 14.670 -5.755 142 HH12 ARG 22 2HH1 ARG 22 0.288 15.741 -5.351 143 HH21 ARG 22 1HH2 ARG 22 1.499 13.749 -2.745 144 HH22 ARG 22 2HH2 ARG 22 1.717 15.215 -3.639 145 H HIS 23 H HIS 23 -3.985 9.261 -4.264 146 HA HIS 23 HA HIS 23 -6.501 9.500 -5.779 147 HB2 HIS 23 1HB HIS 23 -3.680 9.366 -6.721 148 HB3 HIS 23 2HB HIS 23 -4.897 8.521 -7.674 149 HD2 HIS 23 HD2 HIS 23 -5.381 12.092 -6.063 150 HE1 HIS 23 HE1 HIS 23 -5.728 12.381 -10.281 151 HE2 HIS 23 HE2 HIS 23 -5.816 13.631 -8.096 152 H LEU 24 H LEU 24 -7.138 7.516 -6.927 153 HA LEU 24 HA LEU 24 -6.940 5.249 -5.186 154 HB2 LEU 24 1HB LEU 24 -9.002 5.860 -6.404 155 HB3 LEU 24 2HB LEU 24 -8.195 5.461 -7.919 156 HG LEU 24 HG LEU 24 -9.715 3.687 -7.227 157 HD11 LEU 24 1HD1 LEU 24 -6.924 2.670 -6.811 158 HD12 LEU 24 2HD1 LEU 24 -7.474 3.259 -8.379 159 HD13 LEU 24 3HD1 LEU 24 -8.280 1.886 -7.621 160 HD21 LEU 24 3HD2 LEU 24 -9.935 3.073 -5.108 161 HD22 LEU 24 1HD2 LEU 24 -8.700 4.250 -4.658 162 HD23 LEU 24 2HD2 LEU 24 -8.239 2.590 -5.040 163 H GLN 25 H GLN 25 -6.250 5.594 -8.672 164 HA GLN 25 HA GLN 25 -5.033 3.269 -9.243 165 HB2 GLN 25 1HB GLN 25 -3.570 4.499 -10.833 166 HB3 GLN 25 2HB GLN 25 -5.257 4.989 -10.916 167 HG2 GLN 25 1HG GLN 25 -4.846 7.046 -9.947 168 HG3 GLN 25 2HG GLN 25 -3.336 6.510 -9.210 169 HE21 GLN 25 1HE2 GLN 25 -2.570 8.548 -10.158 170 HE22 GLN 25 2HE2 GLN 25 -2.014 8.536 -11.793 171 H THR 26 H THR 26 -3.727 5.792 -7.222 172 HA THR 26 HA THR 26 -1.072 4.708 -7.116 173 HB THR 26 HB THR 26 -2.440 6.757 -5.364 174 HG1 THR 26 HG1 THR 26 -0.673 6.920 -7.587 175 HG21 THR 26 3HG2 THR 26 -0.630 6.865 -4.051 176 HG22 THR 26 1HG2 THR 26 0.470 6.787 -5.427 177 HG23 THR 26 2HG2 THR 26 -0.178 5.302 -4.730 178 H LEU 27 H LEU 27 -3.771 4.870 -4.792 179 HA LEU 27 HA LEU 27 -2.620 3.432 -2.725 180 HB2 LEU 27 1HB LEU 27 -4.654 4.521 -2.295 181 HB3 LEU 27 2HB LEU 27 -5.462 3.719 -3.640 182 HG LEU 27 HG LEU 27 -5.511 1.633 -2.418 183 HD11 LEU 27 1HD1 LEU 27 -3.364 1.948 -1.229 184 HD12 LEU 27 2HD1 LEU 27 -4.673 1.416 -0.174 185 HD13 LEU 27 3HD1 LEU 27 -4.160 3.103 -0.160 186 HD21 LEU 27 3HD2 LEU 27 -6.722 2.640 -0.265 187 HD22 LEU 27 1HD2 LEU 27 -7.449 2.677 -1.872 188 HD23 LEU 27 2HD2 LEU 27 -6.633 4.108 -1.240 189 H LYS 28 H LYS 28 -4.401 2.243 -5.544 190 HA LYS 28 HA LYS 28 -4.587 -0.440 -4.901 191 HB2 LYS 28 1HB LYS 28 -4.453 1.095 -7.446 192 HB3 LYS 28 2HB LYS 28 -4.220 -0.646 -7.541 193 HG2 LYS 28 1HG LYS 28 -6.372 -0.998 -6.443 194 HG3 LYS 28 2HG LYS 28 -6.606 0.748 -6.340 195 HD2 LYS 28 1HD LYS 28 -6.679 0.941 -8.729 196 HD3 LYS 28 2HD LYS 28 -6.215 -0.751 -8.928 197 HE2 LYS 28 1HE LYS 28 -8.666 -0.109 -7.360 198 HE3 LYS 28 2HE LYS 28 -8.730 0.016 -9.117 199 HZ1 LYS 28 3HZ LYS 28 -7.869 -2.403 -7.624 200 HZ2 LYS 28 1HZ LYS 28 -8.049 -2.269 -9.301 201 HZ3 LYS 28 2HZ LYS 28 -9.406 -2.178 -8.296 202 H SER 29 H SER 29 -1.834 1.383 -6.070 203 HA SER 29 HA SER 29 -0.220 -0.956 -6.546 204 HB2 SER 29 1HB SER 29 0.212 2.001 -6.693 205 HB3 SER 29 2HB SER 29 1.618 0.939 -6.612 206 HG SER 29 HG SER 29 0.478 -0.220 -8.413 207 H HIS 30 H HIS 30 -0.926 1.114 -3.885 208 HA HIS 30 HA HIS 30 1.425 0.646 -2.361 209 HB2 HIS 30 1HB HIS 30 0.333 2.477 -1.528 210 HB3 HIS 30 2HB HIS 30 -1.263 1.808 -1.855 211 HD1 HIS 30 HD1 HIS 30 1.603 1.149 0.566 212 HD2 HIS 30 HD2 HIS 30 -2.546 1.034 0.391 213 HE1 HIS 30 HE1 HIS 30 0.849 0.538 2.886 214 H LEU 31 H LEU 31 -1.356 -1.235 -3.037 215 HA LEU 31 HA LEU 31 -1.308 -2.859 -0.688 216 HB2 LEU 31 1HB LEU 31 -2.410 -3.835 -3.280 217 HB3 LEU 31 2HB LEU 31 -3.022 -4.065 -1.643 218 HG LEU 31 HG LEU 31 -3.340 -1.689 -3.450 219 HD11 LEU 31 1HD1 LEU 31 -5.682 -2.376 -2.055 220 HD12 LEU 31 2HD1 LEU 31 -4.967 -3.887 -2.614 221 HD13 LEU 31 3HD1 LEU 31 -5.332 -2.605 -3.768 222 HD21 LEU 31 3HD2 LEU 31 -4.565 -0.780 -1.317 223 HD22 LEU 31 1HD2 LEU 31 -2.835 -0.520 -1.542 224 HD23 LEU 31 2HD2 LEU 31 -3.402 -1.803 -0.472 225 H ARG 32 H ARG 32 0.742 -2.628 -3.319 226 HA ARG 32 HA ARG 32 1.405 -5.317 -3.819 227 HB2 ARG 32 1HB ARG 32 2.695 -2.681 -4.293 228 HB3 ARG 32 2HB ARG 32 3.724 -4.104 -4.374 229 HG2 ARG 32 1HG ARG 32 3.038 -3.776 -6.569 230 HG3 ARG 32 2HG ARG 32 1.970 -5.051 -5.979 231 HD2 ARG 32 1HD ARG 32 0.403 -3.062 -5.358 232 HD3 ARG 32 2HD ARG 32 1.370 -2.177 -6.537 233 HE ARG 32 HE ARG 32 -0.639 -4.106 -7.093 234 HH11 ARG 32 1HH1 ARG 32 2.425 -2.892 -8.215 235 HH12 ARG 32 2HH1 ARG 32 2.149 -3.348 -9.864 236 HH21 ARG 32 1HH2 ARG 32 -1.013 -4.711 -9.260 237 HH22 ARG 32 2HH2 ARG 32 0.193 -4.381 -10.457 238 H ILE 33 H ILE 33 2.741 -2.950 -1.543 239 HA ILE 33 HA ILE 33 4.772 -4.640 -0.524 240 HB ILE 33 HB ILE 33 5.146 -3.022 1.141 241 HG12 ILE 33 1HG1 ILE 33 2.362 -1.950 0.634 242 HG13 ILE 33 2HG1 ILE 33 2.815 -2.969 1.996 243 HG21 ILE 33 1HG2 ILE 33 5.877 -1.759 -0.549 244 HG22 ILE 33 2HG2 ILE 33 4.460 -2.111 -1.537 245 HG23 ILE 33 3HG2 ILE 33 4.396 -0.827 -0.331 246 HD11 ILE 33 3HD1 ILE 33 4.623 -0.952 2.200 247 HD12 ILE 33 1HD1 ILE 33 3.209 -0.107 1.571 248 HD13 ILE 33 2HD1 ILE 33 3.089 -1.033 3.068 249 H HIS 34 H HIS 34 1.396 -4.552 -0.044 250 HA HIS 34 HA HIS 34 1.419 -5.751 2.579 251 HB2 HIS 34 1HB HIS 34 -0.744 -5.122 0.582 252 HB3 HIS 34 2HB HIS 34 -1.079 -6.069 2.028 253 HD1 HIS 34 HD1 HIS 34 0.538 -4.497 4.099 254 HD2 HIS 34 HD2 HIS 34 -1.869 -2.729 1.211 255 HE1 HIS 34 HE1 HIS 34 -0.045 -2.225 5.008 256 H THR 35 H THR 35 0.387 -6.847 -0.654 257 HA THR 35 HA THR 35 0.452 -9.614 0.264 258 HB THR 35 HB THR 35 -1.472 -8.979 -1.067 259 HG1 THR 35 HG1 THR 35 -1.408 -10.840 -2.092 260 HG21 THR 35 3HG2 THR 35 0.516 -8.306 -3.240 261 HG22 THR 35 1HG2 THR 35 -0.470 -7.151 -2.344 262 HG23 THR 35 2HG2 THR 35 -1.239 -8.319 -3.420 263 H GLY 36 H GLY 36 2.114 -10.938 -0.086 264 HA2 GLY 36 1HA GLY 36 3.630 -11.120 -2.414 265 HA3 GLY 36 2HA GLY 36 4.499 -10.046 -1.328 266 H SER 37 H SER 37 4.940 -10.903 0.875 267 HA SER 37 HA SER 37 4.800 -13.687 1.400 268 HB2 SER 37 1HB SER 37 6.555 -13.645 -0.401 269 HB3 SER 37 2HB SER 37 7.558 -12.676 0.677 270 HG SER 37 HG SER 37 6.503 -15.193 1.425 271 H GLY 38 H GLY 38 5.751 -14.264 3.440 272 HA2 GLY 38 1HA GLY 38 5.343 -12.657 5.541 273 HA3 GLY 38 2HA GLY 38 6.642 -13.841 5.545 274 HA PRO 39 HA PRO 39 8.124 -9.259 5.531 275 HB2 PRO 39 1HB PRO 39 8.206 -8.728 8.193 276 HB3 PRO 39 2HB PRO 39 6.804 -8.357 7.182 277 HG2 PRO 39 1HG PRO 39 7.263 -10.688 9.004 278 HG3 PRO 39 2HG PRO 39 5.801 -9.708 8.787 279 HD2 PRO 39 1HD PRO 39 6.108 -12.140 7.637 280 HD3 PRO 39 2HD PRO 39 5.177 -10.834 6.875 281 H SER 40 H SER 40 10.241 -8.608 6.173 282 HA SER 40 HA SER 40 12.019 -10.835 6.607 283 HB2 SER 40 1HB SER 40 12.404 -7.915 6.001 284 HB3 SER 40 2HB SER 40 13.770 -8.920 6.487 285 HG SER 40 HG SER 40 13.770 -9.803 4.582 286 H SER 41 H SER 41 11.467 -7.722 8.256 287 HA SER 41 HA SER 41 12.939 -8.638 10.580 288 HB2 SER 41 1HB SER 41 13.083 -6.278 9.718 289 HB3 SER 41 2HB SER 41 11.414 -6.048 10.239 290 HG SER 41 HG SER 41 12.216 -6.745 12.373 291 H GLY 42 H GLY 42 11.797 -10.213 11.613 292 HA2 GLY 42 1HA GLY 42 8.991 -10.193 11.983 293 HA3 GLY 42 2HA GLY 42 10.138 -11.189 12.866 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -14.228 33.937 -8.818 2 HA2 GLY 1 1HA GLY 1 -13.242 33.937 -11.199 3 HA3 GLY 1 2HA GLY 1 -12.339 34.820 -9.976 4 H SER 2 H SER 2 -10.252 34.363 -9.850 5 HA SER 2 HA SER 2 -8.869 32.636 -11.438 6 HB2 SER 2 1HB SER 2 -8.183 33.562 -8.642 7 HB3 SER 2 2HB SER 2 -7.045 32.728 -9.701 8 HG SER 2 HG SER 2 -6.674 34.590 -10.574 9 H SER 3 H SER 3 -9.101 30.523 -11.702 10 HA SER 3 HA SER 3 -10.219 28.812 -9.719 11 HB2 SER 3 1HB SER 3 -10.635 28.205 -11.974 12 HB3 SER 3 2HB SER 3 -8.926 28.304 -12.398 13 HG SER 3 HG SER 3 -9.338 26.167 -12.147 14 H GLY 4 H GLY 4 -9.110 28.402 -7.908 15 HA2 GLY 4 1HA GLY 4 -6.629 26.948 -8.091 16 HA3 GLY 4 2HA GLY 4 -6.444 28.549 -7.392 17 H SER 5 H SER 5 -7.708 25.344 -6.941 18 HA SER 5 HA SER 5 -8.223 26.000 -4.114 19 HB2 SER 5 1HB SER 5 -9.744 24.135 -5.942 20 HB3 SER 5 2HB SER 5 -9.905 24.098 -4.186 21 HG SER 5 HG SER 5 -11.445 25.449 -5.431 22 H SER 6 H SER 6 -6.966 24.957 -2.729 23 HA SER 6 HA SER 6 -5.256 22.815 -3.663 24 HB2 SER 6 1HB SER 6 -4.236 24.508 -2.273 25 HB3 SER 6 2HB SER 6 -5.435 24.252 -1.006 26 HG SER 6 HG SER 6 -4.553 22.269 -0.579 27 H GLY 7 H GLY 7 -6.479 20.988 -3.923 28 HA2 GLY 7 1HA GLY 7 -7.872 19.994 -1.514 29 HA3 GLY 7 2HA GLY 7 -8.364 19.613 -3.157 30 H GLY 8 H GLY 8 -5.572 19.291 -0.967 31 HA2 GLY 8 1HA GLY 8 -4.850 16.813 -2.378 32 HA3 GLY 8 2HA GLY 8 -3.780 17.745 -1.342 33 H GLU 9 H GLU 9 -6.704 15.738 -1.291 34 HA GLU 9 HA GLU 9 -5.962 14.906 1.437 35 HB2 GLU 9 1HB GLU 9 -8.632 15.466 0.206 36 HB3 GLU 9 2HB GLU 9 -8.511 14.286 1.504 37 HG2 GLU 9 1HG GLU 9 -7.355 17.024 1.819 38 HG3 GLU 9 2HG GLU 9 -9.074 16.731 2.077 39 H LYS 10 H LYS 10 -6.670 12.695 2.013 40 HA LYS 10 HA LYS 10 -6.343 10.899 -0.293 41 HB2 LYS 10 1HB LYS 10 -5.775 10.437 2.641 42 HB3 LYS 10 2HB LYS 10 -5.589 9.223 1.382 43 HG2 LYS 10 1HG LYS 10 -3.443 9.957 1.537 44 HG3 LYS 10 2HG LYS 10 -4.047 11.069 0.306 45 HD2 LYS 10 1HD LYS 10 -4.579 12.663 2.202 46 HD3 LYS 10 2HD LYS 10 -3.641 11.590 3.244 47 HE2 LYS 10 1HE LYS 10 -1.779 11.862 1.490 48 HE3 LYS 10 2HE LYS 10 -2.716 13.240 0.914 49 HZ1 LYS 10 3HZ LYS 10 -2.021 14.477 2.606 50 HZ2 LYS 10 1HZ LYS 10 -0.885 13.269 2.936 51 HZ3 LYS 10 2HZ LYS 10 -2.367 13.280 3.749 52 HA PRO 11 HA PRO 11 -10.726 10.322 1.149 53 HB2 PRO 11 1HB PRO 11 -11.797 10.322 -1.346 54 HB3 PRO 11 2HB PRO 11 -11.525 11.801 -0.417 55 HG2 PRO 11 1HG PRO 11 -9.860 10.599 -2.595 56 HG3 PRO 11 2HG PRO 11 -10.304 12.295 -2.333 57 HD2 PRO 11 1HD PRO 11 -7.884 11.299 -1.638 58 HD3 PRO 11 2HD PRO 11 -8.674 12.606 -0.733 59 H TYR 12 H TYR 12 -8.363 8.583 -0.335 60 HA TYR 12 HA TYR 12 -10.117 6.243 -0.708 61 HB2 TYR 12 1HB TYR 12 -7.508 6.902 -2.090 62 HB3 TYR 12 2HB TYR 12 -8.370 5.377 -2.261 63 HD1 TYR 12 HD1 TYR 12 -8.555 9.007 -2.938 64 HD2 TYR 12 HD2 TYR 12 -10.226 5.175 -3.728 65 HE1 TYR 12 HE1 TYR 12 -9.879 9.970 -4.773 66 HE2 TYR 12 HE2 TYR 12 -11.554 6.127 -5.566 67 HH TYR 12 HH TYR 12 -10.958 9.103 -6.917 68 HA PRO 13 HA PRO 13 -7.484 5.265 2.923 69 HB2 PRO 13 1HB PRO 13 -9.384 3.765 4.153 70 HB3 PRO 13 2HB PRO 13 -9.305 5.525 4.300 71 HG2 PRO 13 1HG PRO 13 -11.045 3.847 2.533 72 HG3 PRO 13 2HG PRO 13 -11.470 5.282 3.485 73 HD2 PRO 13 1HD PRO 13 -11.000 5.388 0.820 74 HD3 PRO 13 2HD PRO 13 -10.614 6.733 1.912 75 H CYS 14 H CYS 14 -6.364 3.396 3.360 76 HA CYS 14 HA CYS 14 -6.411 1.360 1.348 77 HB2 CYS 14 1HB CYS 14 -4.274 1.941 2.218 78 HB3 CYS 14 2HB CYS 14 -4.814 1.727 3.880 79 H GLU 15 H GLU 15 -6.508 -0.968 1.868 80 HA GLU 15 HA GLU 15 -8.709 -1.479 3.738 81 HB2 GLU 15 1HB GLU 15 -7.801 -3.618 1.904 82 HB3 GLU 15 2HB GLU 15 -9.431 -3.133 2.351 83 HG2 GLU 15 1HG GLU 15 -7.635 -1.977 0.258 84 HG3 GLU 15 2HG GLU 15 -9.273 -2.608 0.093 85 H ILE 16 H ILE 16 -5.467 -2.569 2.876 86 HA ILE 16 HA ILE 16 -5.322 -4.699 4.729 87 HB ILE 16 HB ILE 16 -3.003 -3.072 3.689 88 HG12 ILE 16 1HG1 ILE 16 -3.030 -5.221 2.081 89 HG13 ILE 16 2HG1 ILE 16 -4.758 -5.083 2.382 90 HG21 ILE 16 1HG2 ILE 16 -2.094 -4.439 5.293 91 HG22 ILE 16 2HG2 ILE 16 -3.290 -5.710 5.043 92 HG23 ILE 16 3HG2 ILE 16 -1.988 -5.482 3.875 93 HD11 ILE 16 3HD1 ILE 16 -4.954 -3.310 1.053 94 HD12 ILE 16 1HD1 ILE 16 -3.501 -2.548 1.700 95 HD13 ILE 16 2HD1 ILE 16 -3.368 -3.770 0.436 96 H CYS 17 H CYS 17 -3.424 -1.692 4.904 97 HA CYS 17 HA CYS 17 -3.374 -1.914 7.804 98 HB2 CYS 17 1HB CYS 17 -1.748 -0.054 7.685 99 HB3 CYS 17 2HB CYS 17 -1.276 -1.419 6.678 100 H GLY 18 H GLY 18 -4.405 0.416 5.328 101 HA2 GLY 18 1HA GLY 18 -6.661 1.407 5.870 102 HA3 GLY 18 2HA GLY 18 -5.948 1.813 7.424 103 H THR 19 H THR 19 -3.349 2.386 5.965 104 HA THR 19 HA THR 19 -3.404 5.109 5.909 105 HB THR 19 HB THR 19 -1.724 3.195 4.303 106 HG1 THR 19 HG1 THR 19 -1.171 3.217 6.444 107 HG21 THR 19 3HG2 THR 19 -0.262 5.096 3.745 108 HG22 THR 19 1HG2 THR 19 -1.448 6.200 4.439 109 HG23 THR 19 2HG2 THR 19 -1.856 5.254 3.008 110 H ARG 20 H ARG 20 -4.244 6.648 4.654 111 HA ARG 20 HA ARG 20 -5.694 5.858 2.259 112 HB2 ARG 20 1HB ARG 20 -5.543 8.625 3.447 113 HB3 ARG 20 2HB ARG 20 -6.780 7.969 2.383 114 HG2 ARG 20 1HG ARG 20 -7.846 6.869 4.067 115 HG3 ARG 20 2HG ARG 20 -6.368 6.647 5.006 116 HD2 ARG 20 1HD ARG 20 -7.443 9.400 4.603 117 HD3 ARG 20 2HD ARG 20 -8.214 8.342 5.783 118 HE ARG 20 HE ARG 20 -5.349 8.533 6.046 119 HH11 ARG 20 1HH1 ARG 20 -8.429 9.876 6.959 120 HH12 ARG 20 2HH1 ARG 20 -7.827 10.604 8.411 121 HH21 ARG 20 1HH2 ARG 20 -4.546 9.486 7.956 122 HH22 ARG 20 2HH2 ARG 20 -5.618 10.382 8.977 123 H PHE 21 H PHE 21 -5.494 7.048 0.259 124 HA PHE 21 HA PHE 21 -2.870 8.319 -0.124 125 HB2 PHE 21 1HB PHE 21 -4.138 6.168 -1.819 126 HB3 PHE 21 2HB PHE 21 -2.820 7.183 -2.395 127 HD1 PHE 21 HD2 PHE 21 -3.678 5.016 0.518 128 HD2 PHE 21 HD1 PHE 21 -0.676 6.405 -2.161 129 HE1 PHE 21 HE2 PHE 21 -2.053 3.484 1.549 130 HE2 PHE 21 HE1 PHE 21 0.954 4.874 -1.134 131 HZ PHE 21 HZ PHE 21 0.266 3.411 0.724 132 H ARG 22 H ARG 22 -2.853 10.111 -1.376 133 HA ARG 22 HA ARG 22 -4.950 11.739 -1.745 134 HB2 ARG 22 1HB ARG 22 -2.512 12.183 -2.313 135 HB3 ARG 22 2HB ARG 22 -2.844 11.470 -3.886 136 HG2 ARG 22 1HG ARG 22 -4.556 13.182 -4.287 137 HG3 ARG 22 2HG ARG 22 -4.174 13.909 -2.725 138 HD2 ARG 22 1HD ARG 22 -1.775 14.073 -3.591 139 HD3 ARG 22 2HD ARG 22 -2.455 13.733 -5.182 140 HE ARG 22 HE ARG 22 -3.931 15.821 -4.143 141 HH11 ARG 22 1HH1 ARG 22 -0.606 15.215 -4.978 142 HH12 ARG 22 2HH1 ARG 22 -0.266 16.868 -5.367 143 HH21 ARG 22 1HH2 ARG 22 -3.496 18.001 -4.653 144 HH22 ARG 22 2HH2 ARG 22 -1.910 18.453 -5.181 145 H HIS 23 H HIS 23 -3.842 9.448 -4.243 146 HA HIS 23 HA HIS 23 -6.557 9.543 -5.388 147 HB2 HIS 23 1HB HIS 23 -3.871 9.536 -6.704 148 HB3 HIS 23 2HB HIS 23 -5.223 8.766 -7.528 149 HD2 HIS 23 HD2 HIS 23 -5.952 12.047 -5.581 150 HE1 HIS 23 HE1 HIS 23 -5.976 12.930 -9.730 151 HE2 HIS 23 HE2 HIS 23 -6.375 13.826 -7.410 152 H LEU 24 H LEU 24 -7.289 7.571 -6.426 153 HA LEU 24 HA LEU 24 -6.753 5.274 -4.839 154 HB2 LEU 24 1HB LEU 24 -8.938 5.873 -5.940 155 HB3 LEU 24 2HB LEU 24 -8.222 5.354 -7.465 156 HG LEU 24 HG LEU 24 -8.208 3.108 -6.833 157 HD11 LEU 24 1HD1 LEU 24 -8.247 4.192 -4.068 158 HD12 LEU 24 2HD1 LEU 24 -7.268 2.902 -4.767 159 HD13 LEU 24 3HD1 LEU 24 -8.956 2.602 -4.351 160 HD21 LEU 24 3HD2 LEU 24 -10.492 2.638 -6.069 161 HD22 LEU 24 1HD2 LEU 24 -10.457 3.900 -7.301 162 HD23 LEU 24 2HD2 LEU 24 -10.678 4.330 -5.605 163 H GLN 25 H GLN 25 -6.279 5.881 -8.324 164 HA GLN 25 HA GLN 25 -5.077 3.644 -9.179 165 HB2 GLN 25 1HB GLN 25 -3.668 5.037 -10.677 166 HB3 GLN 25 2HB GLN 25 -5.353 5.538 -10.646 167 HG2 GLN 25 1HG GLN 25 -4.900 7.499 -9.562 168 HG3 GLN 25 2HG GLN 25 -3.438 6.869 -8.804 169 HE21 GLN 25 1HE2 GLN 25 -2.653 9.006 -9.562 170 HE22 GLN 25 2HE2 GLN 25 -1.994 9.101 -11.156 171 H THR 26 H THR 26 -3.686 5.950 -6.958 172 HA THR 26 HA THR 26 -1.054 4.774 -7.039 173 HB THR 26 HB THR 26 -2.223 6.782 -5.102 174 HG1 THR 26 HG1 THR 26 -0.380 7.286 -7.200 175 HG21 THR 26 3HG2 THR 26 0.697 6.532 -5.568 176 HG22 THR 26 1HG2 THR 26 -0.071 5.295 -4.575 177 HG23 THR 26 2HG2 THR 26 -0.181 6.993 -4.110 178 H LEU 27 H LEU 27 -3.814 4.769 -4.819 179 HA LEU 27 HA LEU 27 -2.676 3.348 -2.715 180 HB2 LEU 27 1HB LEU 27 -4.802 4.388 -2.441 181 HB3 LEU 27 2HB LEU 27 -5.503 3.431 -3.745 182 HG LEU 27 HG LEU 27 -5.403 1.435 -2.379 183 HD11 LEU 27 1HD1 LEU 27 -3.363 1.901 -1.149 184 HD12 LEU 27 2HD1 LEU 27 -4.684 1.539 -0.039 185 HD13 LEU 27 3HD1 LEU 27 -4.166 3.208 -0.278 186 HD21 LEU 27 3HD2 LEU 27 -7.031 3.660 -1.906 187 HD22 LEU 27 1HD2 LEU 27 -6.589 3.045 -0.313 188 HD23 LEU 27 2HD2 LEU 27 -7.362 1.979 -1.486 189 H LYS 28 H LYS 28 -4.327 2.153 -5.617 190 HA LYS 28 HA LYS 28 -4.374 -0.555 -5.040 191 HB2 LYS 28 1HB LYS 28 -4.052 0.900 -7.662 192 HB3 LYS 28 2HB LYS 28 -4.226 -0.848 -7.566 193 HG2 LYS 28 1HG LYS 28 -6.417 -0.714 -6.806 194 HG3 LYS 28 2HG LYS 28 -6.238 0.965 -6.293 195 HD2 LYS 28 1HD LYS 28 -6.357 1.769 -8.484 196 HD3 LYS 28 2HD LYS 28 -5.986 0.190 -9.181 197 HE2 LYS 28 1HE LYS 28 -8.177 -0.622 -8.283 198 HE3 LYS 28 2HE LYS 28 -8.540 1.041 -7.824 199 HZ1 LYS 28 3HZ LYS 28 -9.534 0.573 -9.934 200 HZ2 LYS 28 1HZ LYS 28 -8.065 0.025 -10.573 201 HZ3 LYS 28 2HZ LYS 28 -8.260 1.659 -10.181 202 H SER 29 H SER 29 -1.717 1.454 -6.112 203 HA SER 29 HA SER 29 0.028 -0.777 -6.650 204 HB2 SER 29 1HB SER 29 0.303 2.204 -6.695 205 HB3 SER 29 2HB SER 29 1.759 1.211 -6.650 206 HG SER 29 HG SER 29 -0.241 1.343 -8.629 207 H HIS 30 H HIS 30 -0.887 1.060 -3.915 208 HA HIS 30 HA HIS 30 1.509 0.654 -2.391 209 HB2 HIS 30 1HB HIS 30 0.388 2.485 -1.574 210 HB3 HIS 30 2HB HIS 30 -1.199 1.781 -1.872 211 HD1 HIS 30 HD1 HIS 30 1.722 1.202 0.502 212 HD2 HIS 30 HD2 HIS 30 -2.425 0.969 0.394 213 HE1 HIS 30 HE1 HIS 30 1.023 0.576 2.835 214 H LEU 31 H LEU 31 -1.439 -1.101 -2.941 215 HA LEU 31 HA LEU 31 -1.260 -2.813 -0.673 216 HB2 LEU 31 1HB LEU 31 -2.606 -3.636 -3.206 217 HB3 LEU 31 2HB LEU 31 -3.085 -3.935 -1.537 218 HG LEU 31 HG LEU 31 -3.488 -1.472 -3.201 219 HD11 LEU 31 1HD1 LEU 31 -5.523 -2.341 -3.343 220 HD12 LEU 31 2HD1 LEU 31 -5.701 -2.092 -1.607 221 HD13 LEU 31 3HD1 LEU 31 -5.104 -3.635 -2.219 222 HD21 LEU 31 3HD2 LEU 31 -2.642 -0.487 -1.260 223 HD22 LEU 31 1HD2 LEU 31 -3.381 -1.698 -0.211 224 HD23 LEU 31 2HD2 LEU 31 -4.388 -0.490 -1.010 225 H ARG 32 H ARG 32 0.678 -2.549 -3.340 226 HA ARG 32 HA ARG 32 1.154 -5.259 -4.008 227 HB2 ARG 32 1HB ARG 32 2.653 -2.696 -4.420 228 HB3 ARG 32 2HB ARG 32 3.420 -4.231 -4.803 229 HG2 ARG 32 1HG ARG 32 2.326 -3.093 -6.732 230 HG3 ARG 32 2HG ARG 32 1.770 -4.742 -6.436 231 HD2 ARG 32 1HD ARG 32 0.308 -2.451 -5.201 232 HD3 ARG 32 2HD ARG 32 0.054 -2.822 -6.906 233 HE ARG 32 HE ARG 32 -1.007 -4.236 -4.699 234 HH11 ARG 32 1HH1 ARG 32 0.334 -4.724 -7.874 235 HH12 ARG 32 2HH1 ARG 32 -0.534 -6.198 -8.156 236 HH21 ARG 32 1HH2 ARG 32 -2.154 -6.174 -5.058 237 HH22 ARG 32 2HH2 ARG 32 -1.949 -7.021 -6.554 238 H ILE 33 H ILE 33 2.501 -3.093 -1.594 239 HA ILE 33 HA ILE 33 4.616 -4.868 -0.822 240 HB ILE 33 HB ILE 33 5.147 -3.326 0.875 241 HG12 ILE 33 1HG1 ILE 33 2.370 -2.168 0.554 242 HG13 ILE 33 2HG1 ILE 33 2.907 -3.183 1.888 243 HG21 ILE 33 1HG2 ILE 33 4.339 -2.279 -1.729 244 HG22 ILE 33 2HG2 ILE 33 4.450 -1.049 -0.471 245 HG23 ILE 33 3HG2 ILE 33 5.845 -2.064 -0.836 246 HD11 ILE 33 3HD1 ILE 33 3.270 -1.235 2.916 247 HD12 ILE 33 1HD1 ILE 33 4.751 -1.199 1.960 248 HD13 ILE 33 2HD1 ILE 33 3.321 -0.330 1.403 249 H HIS 34 H HIS 34 1.298 -4.376 0.108 250 HA HIS 34 HA HIS 34 1.393 -5.711 2.607 251 HB2 HIS 34 1HB HIS 34 -0.819 -5.013 0.695 252 HB3 HIS 34 2HB HIS 34 -1.138 -5.997 2.121 253 HD1 HIS 34 HD1 HIS 34 0.239 -4.651 4.340 254 HD2 HIS 34 HD2 HIS 34 -1.547 -2.487 1.276 255 HE1 HIS 34 HE1 HIS 34 -0.188 -2.363 5.293 256 H THR 35 H THR 35 0.128 -6.813 -0.543 257 HA THR 35 HA THR 35 0.456 -9.585 0.376 258 HB THR 35 HB THR 35 -1.800 -8.887 -0.441 259 HG1 THR 35 HG1 THR 35 -1.215 -11.075 -0.569 260 HG21 THR 35 3HG2 THR 35 -0.775 -7.406 -2.274 261 HG22 THR 35 1HG2 THR 35 -2.214 -8.341 -2.682 262 HG23 THR 35 2HG2 THR 35 -0.624 -8.896 -3.205 263 H GLY 36 H GLY 36 2.089 -10.757 -0.383 264 HA2 GLY 36 1HA GLY 36 3.077 -10.275 -3.094 265 HA3 GLY 36 2HA GLY 36 4.225 -10.097 -1.776 266 H SER 37 H SER 37 3.919 -12.045 -4.087 267 HA SER 37 HA SER 37 4.213 -14.484 -2.464 268 HB2 SER 37 1HB SER 37 2.771 -14.150 -5.095 269 HB3 SER 37 2HB SER 37 3.301 -15.723 -4.498 270 HG SER 37 HG SER 37 2.085 -14.815 -2.481 271 H GLY 38 H GLY 38 6.328 -12.795 -3.162 272 HA2 GLY 38 1HA GLY 38 7.680 -14.293 -5.317 273 HA3 GLY 38 2HA GLY 38 8.079 -12.648 -4.844 274 HA PRO 39 HA PRO 39 10.853 -15.834 -2.718 275 HB2 PRO 39 1HB PRO 39 13.167 -15.150 -3.962 276 HB3 PRO 39 2HB PRO 39 12.069 -16.386 -4.588 277 HG2 PRO 39 1HG PRO 39 12.359 -13.520 -5.405 278 HG3 PRO 39 2HG PRO 39 12.161 -14.959 -6.422 279 HD2 PRO 39 1HD PRO 39 10.108 -13.291 -5.845 280 HD3 PRO 39 2HD PRO 39 9.881 -15.034 -6.092 281 H SER 40 H SER 40 11.239 -15.043 -0.750 282 HA SER 40 HA SER 40 11.624 -12.344 -0.123 283 HB2 SER 40 1HB SER 40 12.043 -13.058 2.110 284 HB3 SER 40 2HB SER 40 10.896 -14.218 1.440 285 HG SER 40 HG SER 40 13.087 -15.314 0.853 286 H SER 41 H SER 41 13.651 -11.709 1.286 287 HA SER 41 HA SER 41 15.747 -11.125 -0.314 288 HB2 SER 41 1HB SER 41 17.146 -10.938 1.746 289 HB3 SER 41 2HB SER 41 15.565 -10.175 1.907 290 HG SER 41 HG SER 41 16.466 -12.619 2.997 291 H GLY 42 H GLY 42 17.983 -11.930 -0.398 292 HA2 GLY 42 1HA GLY 42 18.060 -14.655 -1.161 293 HA3 GLY 42 2HA GLY 42 19.450 -13.591 -1.004 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -1.714 21.873 -10.520 2 HA2 GLY 1 1HA GLY 1 -3.316 22.031 -12.439 3 HA3 GLY 1 2HA GLY 1 -3.531 20.298 -12.239 4 H SER 2 H SER 2 -5.813 20.838 -12.043 5 HA SER 2 HA SER 2 -6.488 21.773 -9.330 6 HB2 SER 2 1HB SER 2 -7.214 23.161 -11.438 7 HB3 SER 2 2HB SER 2 -8.460 21.922 -11.583 8 HG SER 2 HG SER 2 -9.471 22.796 -9.967 9 H SER 3 H SER 3 -8.081 20.665 -8.196 10 HA SER 3 HA SER 3 -8.447 17.906 -9.036 11 HB2 SER 3 1HB SER 3 -9.130 17.466 -6.782 12 HB3 SER 3 2HB SER 3 -7.741 18.549 -6.694 13 HG SER 3 HG SER 3 -10.477 19.169 -6.330 14 H GLY 4 H GLY 4 -10.645 16.903 -8.531 15 HA2 GLY 4 1HA GLY 4 -12.605 18.254 -10.119 16 HA3 GLY 4 2HA GLY 4 -12.809 16.711 -9.304 17 H SER 5 H SER 5 -15.007 17.870 -9.108 18 HA SER 5 HA SER 5 -15.319 19.981 -7.261 19 HB2 SER 5 1HB SER 5 -17.046 19.309 -8.920 20 HB3 SER 5 2HB SER 5 -17.331 17.838 -7.989 21 HG SER 5 HG SER 5 -17.493 20.350 -6.737 22 H SER 6 H SER 6 -15.610 16.460 -6.897 23 HA SER 6 HA SER 6 -15.545 16.835 -3.975 24 HB2 SER 6 1HB SER 6 -16.692 14.696 -3.771 25 HB3 SER 6 2HB SER 6 -17.607 15.755 -4.844 26 HG SER 6 HG SER 6 -17.436 13.695 -5.750 27 H GLY 7 H GLY 7 -13.498 16.606 -3.318 28 HA2 GLY 7 1HA GLY 7 -12.073 14.168 -4.163 29 HA3 GLY 7 2HA GLY 7 -11.252 15.721 -4.170 30 H GLY 8 H GLY 8 -10.282 16.406 -2.350 31 HA2 GLY 8 1HA GLY 8 -10.347 16.614 0.089 32 HA3 GLY 8 2HA GLY 8 -10.909 14.950 0.143 33 H GLU 9 H GLU 9 -8.911 15.327 1.743 34 HA GLU 9 HA GLU 9 -6.391 14.841 0.354 35 HB2 GLU 9 1HB GLU 9 -7.110 15.438 3.213 36 HB3 GLU 9 2HB GLU 9 -5.510 14.856 2.776 37 HG2 GLU 9 1HG GLU 9 -4.943 16.791 1.700 38 HG3 GLU 9 2HG GLU 9 -6.615 17.201 1.322 39 H LYS 10 H LYS 10 -6.316 12.781 -0.359 40 HA LYS 10 HA LYS 10 -6.106 10.517 -0.311 41 HB2 LYS 10 1HB LYS 10 -5.964 10.725 2.694 42 HB3 LYS 10 2HB LYS 10 -5.273 9.478 1.665 43 HG2 LYS 10 1HG LYS 10 -3.542 10.849 0.948 44 HG3 LYS 10 2HG LYS 10 -4.389 12.325 1.417 45 HD2 LYS 10 1HD LYS 10 -2.801 12.121 3.088 46 HD3 LYS 10 2HD LYS 10 -4.210 11.353 3.821 47 HE2 LYS 10 1HE LYS 10 -2.265 9.989 4.219 48 HE3 LYS 10 2HE LYS 10 -3.338 9.155 3.097 49 HZ1 LYS 10 3HZ LYS 10 -0.658 10.129 2.693 50 HZ2 LYS 10 1HZ LYS 10 -1.722 10.542 1.444 51 HZ3 LYS 10 2HZ LYS 10 -1.505 8.919 1.869 52 HA PRO 11 HA PRO 11 -10.593 10.344 1.170 53 HB2 PRO 11 1HB PRO 11 -11.745 10.320 -1.288 54 HB3 PRO 11 2HB PRO 11 -11.408 11.810 -0.400 55 HG2 PRO 11 1HG PRO 11 -9.844 10.524 -2.605 56 HG3 PRO 11 2HG PRO 11 -10.239 12.236 -2.365 57 HD2 PRO 11 1HD PRO 11 -7.822 11.196 -1.727 58 HD3 PRO 11 2HD PRO 11 -8.551 12.540 -0.825 59 H TYR 12 H TYR 12 -8.318 8.515 -0.330 60 HA TYR 12 HA TYR 12 -10.138 6.213 -0.608 61 HB2 TYR 12 1HB TYR 12 -7.558 6.780 -2.080 62 HB3 TYR 12 2HB TYR 12 -8.457 5.271 -2.190 63 HD1 TYR 12 HD1 TYR 12 -8.582 8.888 -2.946 64 HD2 TYR 12 HD2 TYR 12 -10.363 5.079 -3.594 65 HE1 TYR 12 HE1 TYR 12 -9.939 9.839 -4.763 66 HE2 TYR 12 HE2 TYR 12 -11.725 6.019 -5.414 67 HH TYR 12 HH TYR 12 -12.605 8.360 -6.032 68 HA PRO 13 HA PRO 13 -7.407 5.263 2.964 69 HB2 PRO 13 1HB PRO 13 -9.310 3.875 4.314 70 HB3 PRO 13 2HB PRO 13 -9.161 5.634 4.400 71 HG2 PRO 13 1HG PRO 13 -11.030 3.970 2.757 72 HG3 PRO 13 2HG PRO 13 -11.364 5.448 3.677 73 HD2 PRO 13 1HD PRO 13 -10.996 5.453 0.994 74 HD3 PRO 13 2HD PRO 13 -10.518 6.817 2.026 75 H CYS 14 H CYS 14 -6.130 3.519 3.020 76 HA CYS 14 HA CYS 14 -6.332 1.418 1.202 77 HB2 CYS 14 1HB CYS 14 -4.206 1.968 2.189 78 HB3 CYS 14 2HB CYS 14 -4.809 1.613 3.805 79 H GLU 15 H GLU 15 -6.535 -0.910 1.695 80 HA GLU 15 HA GLU 15 -8.796 -1.350 3.512 81 HB2 GLU 15 1HB GLU 15 -9.391 -2.074 1.363 82 HB3 GLU 15 2HB GLU 15 -7.809 -2.779 1.062 83 HG2 GLU 15 1HG GLU 15 -8.293 -4.702 2.174 84 HG3 GLU 15 2HG GLU 15 -9.429 -3.915 3.269 85 H ILE 16 H ILE 16 -5.569 -2.508 2.724 86 HA ILE 16 HA ILE 16 -5.548 -4.705 4.510 87 HB ILE 16 HB ILE 16 -3.212 -3.100 3.466 88 HG12 ILE 16 1HG1 ILE 16 -3.145 -5.361 2.037 89 HG13 ILE 16 2HG1 ILE 16 -4.879 -5.290 2.333 90 HG21 ILE 16 1HG2 ILE 16 -3.382 -5.761 4.855 91 HG22 ILE 16 2HG2 ILE 16 -1.983 -5.268 3.902 92 HG23 ILE 16 3HG2 ILE 16 -2.451 -4.340 5.326 93 HD11 ILE 16 3HD1 ILE 16 -4.013 -2.717 1.511 94 HD12 ILE 16 1HD1 ILE 16 -3.365 -3.913 0.389 95 HD13 ILE 16 2HD1 ILE 16 -5.101 -3.835 0.690 96 H CYS 17 H CYS 17 -3.571 -1.761 4.827 97 HA CYS 17 HA CYS 17 -3.647 -2.058 7.724 98 HB2 CYS 17 1HB CYS 17 -1.899 -0.327 7.734 99 HB3 CYS 17 2HB CYS 17 -1.476 -1.663 6.670 100 H GLY 18 H GLY 18 -4.369 0.415 5.271 101 HA2 GLY 18 1HA GLY 18 -6.635 1.484 5.787 102 HA3 GLY 18 2HA GLY 18 -5.885 1.894 7.323 103 H THR 19 H THR 19 -3.269 2.351 5.963 104 HA THR 19 HA THR 19 -3.134 5.026 5.810 105 HB THR 19 HB THR 19 -1.698 3.052 4.035 106 HG1 THR 19 HG1 THR 19 -0.900 4.500 6.361 107 HG21 THR 19 3HG2 THR 19 -1.188 6.005 4.403 108 HG22 THR 19 1HG2 THR 19 -1.634 5.186 2.907 109 HG23 THR 19 2HG2 THR 19 -0.061 4.881 3.643 110 H ARG 20 H ARG 20 -4.067 6.590 4.674 111 HA ARG 20 HA ARG 20 -5.638 5.927 2.330 112 HB2 ARG 20 1HB ARG 20 -5.266 8.680 3.491 113 HB3 ARG 20 2HB ARG 20 -6.617 8.067 2.546 114 HG2 ARG 20 1HG ARG 20 -7.306 6.657 4.391 115 HG3 ARG 20 2HG ARG 20 -5.911 7.183 5.336 116 HD2 ARG 20 1HD ARG 20 -7.597 8.534 6.157 117 HD3 ARG 20 2HD ARG 20 -6.858 9.564 4.931 118 HE ARG 20 HE ARG 20 -8.805 8.391 3.533 119 HH11 ARG 20 1HH1 ARG 20 -8.824 9.894 6.673 120 HH12 ARG 20 2HH1 ARG 20 -10.475 10.410 6.560 121 HH21 ARG 20 1HH2 ARG 20 -10.978 9.063 3.373 122 HH22 ARG 20 2HH2 ARG 20 -11.699 9.936 4.683 123 H PHE 21 H PHE 21 -5.541 7.405 0.413 124 HA PHE 21 HA PHE 21 -2.879 8.486 -0.119 125 HB2 PHE 21 1HB PHE 21 -4.227 6.351 -1.777 126 HB3 PHE 21 2HB PHE 21 -2.880 7.323 -2.360 127 HD1 PHE 21 HD2 PHE 21 -3.829 5.082 0.457 128 HD2 PHE 21 HD1 PHE 21 -0.722 6.580 -2.037 129 HE1 PHE 21 HE2 PHE 21 -2.249 3.498 1.480 130 HE2 PHE 21 HE1 PHE 21 0.863 4.997 -1.019 131 HZ PHE 21 HZ PHE 21 0.101 3.454 0.743 132 H ARG 22 H ARG 22 -2.968 10.359 -1.187 133 HA ARG 22 HA ARG 22 -5.118 11.901 -1.583 134 HB2 ARG 22 1HB ARG 22 -3.835 12.876 -3.621 135 HB3 ARG 22 2HB ARG 22 -3.099 12.958 -2.026 136 HG2 ARG 22 1HG ARG 22 -1.310 12.164 -3.135 137 HG3 ARG 22 2HG ARG 22 -2.102 10.613 -2.852 138 HD2 ARG 22 1HD ARG 22 -3.055 10.622 -5.043 139 HD3 ARG 22 2HD ARG 22 -2.528 12.281 -5.323 140 HE ARG 22 HE ARG 22 -0.977 9.906 -5.659 141 HH11 ARG 22 1HH1 ARG 22 -0.807 13.289 -4.857 142 HH12 ARG 22 2HH1 ARG 22 0.837 13.464 -5.377 143 HH21 ARG 22 1HH2 ARG 22 1.187 10.122 -6.347 144 HH22 ARG 22 2HH2 ARG 22 1.969 11.662 -6.225 145 H HIS 23 H HIS 23 -4.020 9.392 -3.802 146 HA HIS 23 HA HIS 23 -6.593 9.621 -5.212 147 HB2 HIS 23 1HB HIS 23 -3.837 9.310 -6.385 148 HB3 HIS 23 2HB HIS 23 -5.277 8.821 -7.272 149 HD2 HIS 23 HD2 HIS 23 -4.831 12.192 -5.254 150 HE1 HIS 23 HE1 HIS 23 -5.683 13.064 -9.318 151 HE2 HIS 23 HE2 HIS 23 -5.213 14.026 -7.038 152 H LEU 24 H LEU 24 -7.035 7.573 -6.527 153 HA LEU 24 HA LEU 24 -6.696 5.314 -4.736 154 HB2 LEU 24 1HB LEU 24 -8.894 5.890 -5.732 155 HB3 LEU 24 2HB LEU 24 -8.237 5.499 -7.320 156 HG LEU 24 HG LEU 24 -8.213 3.217 -6.888 157 HD11 LEU 24 1HD1 LEU 24 -7.062 3.009 -4.874 158 HD12 LEU 24 2HD1 LEU 24 -8.664 2.368 -4.509 159 HD13 LEU 24 3HD1 LEU 24 -8.228 3.998 -3.994 160 HD21 LEU 24 3HD2 LEU 24 -10.441 2.689 -5.907 161 HD22 LEU 24 1HD2 LEU 24 -10.481 3.939 -7.150 162 HD23 LEU 24 2HD2 LEU 24 -10.589 4.386 -5.447 163 H GLN 25 H GLN 25 -6.284 5.856 -8.240 164 HA GLN 25 HA GLN 25 -5.151 3.589 -9.093 165 HB2 GLN 25 1HB GLN 25 -3.559 5.085 -10.481 166 HB3 GLN 25 2HB GLN 25 -5.295 5.267 -10.701 167 HG2 GLN 25 1HG GLN 25 -4.400 7.441 -10.614 168 HG3 GLN 25 2HG GLN 25 -5.194 7.170 -9.064 169 HE21 GLN 25 1HE2 GLN 25 -2.015 6.275 -10.358 170 HE22 GLN 25 2HE2 GLN 25 -1.102 6.997 -9.083 171 H THR 26 H THR 26 -3.527 6.005 -7.104 172 HA THR 26 HA THR 26 -0.983 4.699 -7.158 173 HB THR 26 HB THR 26 -2.094 6.843 -5.343 174 HG1 THR 26 HG1 THR 26 -0.508 8.084 -6.597 175 HG21 THR 26 3HG2 THR 26 -0.335 6.628 -3.993 176 HG22 THR 26 1HG2 THR 26 0.769 6.724 -5.364 177 HG23 THR 26 2HG2 THR 26 0.120 5.163 -4.863 178 H LEU 27 H LEU 27 -3.705 4.779 -4.900 179 HA LEU 27 HA LEU 27 -2.521 3.351 -2.802 180 HB2 LEU 27 1HB LEU 27 -4.539 4.461 -2.348 181 HB3 LEU 27 2HB LEU 27 -5.363 3.691 -3.702 182 HG LEU 27 HG LEU 27 -5.359 1.562 -2.494 183 HD11 LEU 27 1HD1 LEU 27 -4.086 3.142 -0.264 184 HD12 LEU 27 2HD1 LEU 27 -3.324 1.856 -1.200 185 HD13 LEU 27 3HD1 LEU 27 -4.685 1.487 -0.141 186 HD21 LEU 27 3HD2 LEU 27 -7.359 2.527 -2.051 187 HD22 LEU 27 1HD2 LEU 27 -6.633 4.008 -1.425 188 HD23 LEU 27 2HD2 LEU 27 -6.706 2.565 -0.413 189 H LYS 28 H LYS 28 -4.638 2.161 -5.413 190 HA LYS 28 HA LYS 28 -4.747 -0.493 -4.871 191 HB2 LYS 28 1HB LYS 28 -4.379 0.863 -7.542 192 HB3 LYS 28 2HB LYS 28 -4.726 -0.854 -7.382 193 HG2 LYS 28 1HG LYS 28 -6.873 -0.489 -6.630 194 HG3 LYS 28 2HG LYS 28 -6.509 1.143 -6.064 195 HD2 LYS 28 1HD LYS 28 -6.731 2.063 -8.153 196 HD3 LYS 28 2HD LYS 28 -6.278 0.569 -8.977 197 HE2 LYS 28 1HE LYS 28 -8.461 -0.401 -8.258 198 HE3 LYS 28 2HE LYS 28 -8.903 1.184 -7.625 199 HZ1 LYS 28 3HZ LYS 28 -9.504 1.827 -9.643 200 HZ2 LYS 28 1HZ LYS 28 -9.221 0.259 -10.214 201 HZ3 LYS 28 2HZ LYS 28 -7.995 1.421 -10.291 202 H SER 29 H SER 29 -1.990 1.269 -6.139 203 HA SER 29 HA SER 29 -0.440 -1.101 -6.649 204 HB2 SER 29 1HB SER 29 -0.055 0.902 -7.990 205 HB3 SER 29 2HB SER 29 0.369 1.816 -6.543 206 HG SER 29 HG SER 29 2.223 0.660 -6.347 207 H HIS 30 H HIS 30 -0.871 1.147 -4.022 208 HA HIS 30 HA HIS 30 1.459 0.569 -2.556 209 HB2 HIS 30 1HB HIS 30 0.431 2.434 -1.711 210 HB3 HIS 30 2HB HIS 30 -1.188 1.784 -1.955 211 HD1 HIS 30 HD1 HIS 30 1.766 1.303 0.384 212 HD2 HIS 30 HD2 HIS 30 -2.365 0.870 0.314 213 HE1 HIS 30 HE1 HIS 30 1.115 0.685 2.733 214 H LEU 31 H LEU 31 -1.468 -1.195 -3.029 215 HA LEU 31 HA LEU 31 -1.360 -2.813 -0.701 216 HB2 LEU 31 1HB LEU 31 -2.543 -3.754 -3.280 217 HB3 LEU 31 2HB LEU 31 -3.094 -4.042 -1.631 218 HG LEU 31 HG LEU 31 -3.486 -1.613 -3.348 219 HD11 LEU 31 1HD1 LEU 31 -5.161 -3.352 -3.509 220 HD12 LEU 31 2HD1 LEU 31 -5.827 -1.949 -2.674 221 HD13 LEU 31 3HD1 LEU 31 -5.343 -3.374 -1.755 222 HD21 LEU 31 3HD2 LEU 31 -3.648 -1.815 -0.350 223 HD22 LEU 31 1HD2 LEU 31 -4.505 -0.584 -1.278 224 HD23 LEU 31 2HD2 LEU 31 -2.743 -0.651 -1.319 225 H ARG 32 H ARG 32 0.719 -2.627 -3.268 226 HA ARG 32 HA ARG 32 1.292 -5.351 -3.779 227 HB2 ARG 32 1HB ARG 32 2.623 -2.748 -4.311 228 HB3 ARG 32 2HB ARG 32 3.627 -4.189 -4.380 229 HG2 ARG 32 1HG ARG 32 2.894 -3.813 -6.577 230 HG3 ARG 32 2HG ARG 32 1.912 -5.148 -5.971 231 HD2 ARG 32 1HD ARG 32 0.258 -3.248 -5.294 232 HD3 ARG 32 2HD ARG 32 1.144 -2.309 -6.496 233 HE ARG 32 HE ARG 32 0.069 -3.486 -8.126 234 HH11 ARG 32 1HH1 ARG 32 -0.106 -5.289 -5.153 235 HH12 ARG 32 2HH1 ARG 32 -1.149 -6.510 -5.803 236 HH21 ARG 32 1HH2 ARG 32 -1.303 -5.088 -8.994 237 HH22 ARG 32 2HH2 ARG 32 -1.828 -6.396 -7.988 238 H ILE 33 H ILE 33 2.794 -2.963 -1.619 239 HA ILE 33 HA ILE 33 4.786 -4.658 -0.588 240 HB ILE 33 HB ILE 33 5.137 -3.048 1.117 241 HG12 ILE 33 1HG1 ILE 33 2.440 -1.840 0.479 242 HG13 ILE 33 2HG1 ILE 33 2.723 -2.949 1.817 243 HG21 ILE 33 1HG2 ILE 33 5.964 -1.847 -0.577 244 HG22 ILE 33 2HG2 ILE 33 4.562 -2.159 -1.599 245 HG23 ILE 33 3HG2 ILE 33 4.514 -0.859 -0.410 246 HD11 ILE 33 3HD1 ILE 33 3.377 -0.106 1.545 247 HD12 ILE 33 1HD1 ILE 33 3.010 -1.060 2.982 248 HD13 ILE 33 2HD1 ILE 33 4.631 -1.099 2.287 249 H HIS 34 H HIS 34 1.407 -4.451 0.037 250 HA HIS 34 HA HIS 34 1.479 -5.694 2.624 251 HB2 HIS 34 1HB HIS 34 -0.717 -5.042 0.673 252 HB3 HIS 34 2HB HIS 34 -1.034 -5.999 2.117 253 HD1 HIS 34 HD1 HIS 34 0.472 -4.525 4.251 254 HD2 HIS 34 HD2 HIS 34 -1.651 -2.576 1.258 255 HE1 HIS 34 HE1 HIS 34 -0.036 -2.238 5.167 256 H THR 35 H THR 35 0.450 -6.780 -0.612 257 HA THR 35 HA THR 35 0.624 -9.557 0.323 258 HB THR 35 HB THR 35 -1.494 -8.856 -0.762 259 HG1 THR 35 HG1 THR 35 0.132 -10.929 -1.629 260 HG21 THR 35 3HG2 THR 35 -0.378 -7.266 -2.369 261 HG22 THR 35 1HG2 THR 35 -1.603 -8.315 -3.080 262 HG23 THR 35 2HG2 THR 35 0.108 -8.676 -3.310 263 H GLY 36 H GLY 36 2.383 -10.690 -0.154 264 HA2 GLY 36 1HA GLY 36 4.136 -9.742 -2.308 265 HA3 GLY 36 2HA GLY 36 4.596 -10.835 -1.011 266 H SER 37 H SER 37 2.320 -12.582 -1.294 267 HA SER 37 HA SER 37 1.752 -14.501 -2.374 268 HB2 SER 37 1HB SER 37 2.254 -12.657 -4.701 269 HB3 SER 37 2HB SER 37 1.781 -14.337 -4.951 270 HG SER 37 HG SER 37 -0.153 -13.946 -4.042 271 H GLY 38 H GLY 38 4.340 -14.409 -1.374 272 HA2 GLY 38 1HA GLY 38 5.698 -16.192 -3.281 273 HA3 GLY 38 2HA GLY 38 6.594 -14.866 -2.553 274 HA PRO 39 HA PRO 39 7.285 -18.552 0.117 275 HB2 PRO 39 1HB PRO 39 9.901 -17.993 0.581 276 HB3 PRO 39 2HB PRO 39 9.347 -18.886 -0.840 277 HG2 PRO 39 1HG PRO 39 10.079 -15.994 -0.586 278 HG3 PRO 39 2HG PRO 39 10.486 -17.142 -1.875 279 HD2 PRO 39 1HD PRO 39 8.487 -15.331 -2.114 280 HD3 PRO 39 2HD PRO 39 8.426 -16.928 -2.888 281 H SER 40 H SER 40 6.193 -17.991 1.939 282 HA SER 40 HA SER 40 6.194 -15.697 3.386 283 HB2 SER 40 1HB SER 40 4.834 -17.788 3.827 284 HB3 SER 40 2HB SER 40 6.227 -18.415 4.708 285 HG SER 40 HG SER 40 5.669 -17.224 6.336 286 H SER 41 H SER 41 7.184 -15.177 5.503 287 HA SER 41 HA SER 41 10.038 -15.909 5.512 288 HB2 SER 41 1HB SER 41 10.583 -13.736 6.256 289 HB3 SER 41 2HB SER 41 9.353 -13.478 5.019 290 HG SER 41 HG SER 41 8.280 -12.477 6.508 291 H GLY 42 H GLY 42 10.872 -16.827 7.286 292 HA2 GLY 42 1HA GLY 42 11.112 -17.197 9.603 293 HA3 GLY 42 2HA GLY 42 9.510 -16.521 9.855
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