NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563750 | 2m9e | 19291 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -12.620 -6.595 1.886 2 H2 LYS 1 H2 LYS 1 -12.391 -7.072 0.319 3 H3 LYS 1 H3 LYS 1 -12.920 -5.558 0.629 4 HA LYS 1 HA LYS 1 -10.867 -4.999 1.738 5 HB2 LYS 1 HB2 LYS 1 -8.937 -6.464 1.551 6 HB3 LYS 1 HB3 LYS 1 -10.209 -7.268 2.435 7 HG2 LYS 1 HG2 LYS 1 -10.573 -8.865 0.826 8 HG3 LYS 1 HG3 LYS 1 -10.135 -7.829 -0.523 9 HD2 LYS 1 HD2 LYS 1 -8.063 -8.925 1.430 10 HD3 LYS 1 HD3 LYS 1 -8.570 -9.756 -0.051 11 HE2 LYS 1 HE2 LYS 1 -7.976 -7.704 -1.370 12 HE3 LYS 1 HE3 LYS 1 -7.290 -6.989 0.093 13 HZ1 LYS 1 HZ1 LYS 1 -5.575 -8.669 0.119 14 HZ2 LYS 1 HZ2 LYS 1 -6.363 -9.562 -1.035 15 HZ3 LYS 1 HZ3 LYS 1 -5.693 -8.111 -1.409 16 H LEU 2 H LEU 2 -8.609 -5.084 0.181 17 HA LEU 2 HA LEU 2 -8.960 -3.415 -1.922 18 HB2 LEU 2 HB2 LEU 2 -6.845 -5.566 -1.918 19 HB3 LEU 2 HB3 LEU 2 -6.709 -3.915 -2.498 20 HG LEU 2 HG LEU 2 -6.953 -4.674 0.450 21 HD11 LEU 2 HD11 LEU 2 -4.532 -4.154 0.547 22 HD12 LEU 2 HD12 LEU 2 -4.943 -5.616 -0.364 23 HD13 LEU 2 HD13 LEU 2 -4.509 -4.128 -1.237 24 HD21 LEU 2 HD21 LEU 2 -7.642 -2.351 -0.116 25 HD22 LEU 2 HD22 LEU 2 -6.193 -2.420 0.902 26 HD23 LEU 2 HD23 LEU 2 -6.046 -2.067 -0.827 27 HA PRO 3 HA PRO 3 -10.787 -5.753 -5.267 28 HB2 PRO 3 HB2 PRO 3 -9.011 -4.210 -7.146 29 HB3 PRO 3 HB3 PRO 3 -10.787 -4.393 -7.170 30 HG2 PRO 3 HG2 PRO 3 -9.629 -2.102 -6.291 31 HG3 PRO 3 HG3 PRO 3 -11.086 -2.780 -5.493 32 HD2 PRO 3 HD2 PRO 3 -8.208 -2.965 -4.609 33 HD3 PRO 3 HD3 PRO 3 -9.702 -2.672 -3.663 34 HA PRO 4 HA PRO 4 -8.871 -9.327 -6.716 35 HB2 PRO 4 HB2 PRO 4 -8.985 -8.294 -9.561 36 HB3 PRO 4 HB3 PRO 4 -9.288 -9.959 -8.958 37 HG2 PRO 4 HG2 PRO 4 -11.377 -8.300 -9.344 38 HG3 PRO 4 HG3 PRO 4 -11.290 -9.256 -7.828 39 HD2 PRO 4 HD2 PRO 4 -10.611 -6.358 -8.277 40 HD3 PRO 4 HD3 PRO 4 -11.453 -7.118 -6.893 41 H GLY 5 H GLY 5 -6.926 -9.712 -6.043 42 HA2 GLY 5 HA2 GLY 5 -4.699 -10.277 -6.381 43 HA3 GLY 5 HA3 GLY 5 -4.589 -9.137 -7.723 44 H TRP 6 H TRP 6 -5.864 -6.984 -5.697 45 HA TRP 6 HA TRP 6 -3.251 -5.920 -5.060 46 HB2 TRP 6 HB2 TRP 6 -6.059 -4.998 -4.440 47 HB3 TRP 6 HB3 TRP 6 -4.618 -4.157 -3.881 48 HD1 TRP 6 HD1 TRP 6 -6.838 -4.422 -6.811 49 HE1 TRP 6 HE1 TRP 6 -5.952 -2.972 -8.762 50 HE3 TRP 6 HE3 TRP 6 -2.124 -3.504 -5.065 51 HZ2 TRP 6 HZ2 TRP 6 -3.505 -1.604 -9.457 52 HZ3 TRP 6 HZ3 TRP 6 -0.522 -2.161 -6.419 53 HH2 TRP 6 HH2 TRP 6 -1.211 -1.210 -8.595 54 H GLU 7 H GLU 7 -2.042 -6.131 -3.350 55 HA GLU 7 HA GLU 7 -3.188 -6.841 -0.714 56 HB2 GLU 7 HB2 GLU 7 -1.317 -8.370 -2.454 57 HB3 GLU 7 HB3 GLU 7 -0.762 -8.138 -0.811 58 HG2 GLU 7 HG2 GLU 7 -3.484 -9.294 -1.549 59 HG3 GLU 7 HG3 GLU 7 -2.058 -10.241 -1.125 60 H LYS 8 H LYS 8 -2.600 -5.496 0.788 61 HA LYS 8 HA LYS 8 -0.746 -3.400 0.690 62 HB2 LYS 8 HB2 LYS 8 -1.209 -3.144 3.005 63 HB3 LYS 8 HB3 LYS 8 -2.705 -3.607 2.222 64 HG2 LYS 8 HG2 LYS 8 -0.938 -5.345 3.979 65 HG3 LYS 8 HG3 LYS 8 -2.521 -4.682 4.375 66 HD2 LYS 8 HD2 LYS 8 -3.515 -6.094 2.514 67 HD3 LYS 8 HD3 LYS 8 -1.919 -6.854 2.334 68 HE2 LYS 8 HE2 LYS 8 -2.040 -7.535 4.747 69 HE3 LYS 8 HE3 LYS 8 -3.721 -6.965 4.760 70 HZ1 LYS 8 HZ1 LYS 8 -2.598 -9.063 2.958 71 HZ2 LYS 8 HZ2 LYS 8 -3.672 -9.332 4.204 72 HZ3 LYS 8 HZ3 LYS 8 -4.048 -8.520 2.784 73 H ARG 9 H ARG 9 1.317 -3.204 1.125 74 HA ARG 9 HA ARG 9 2.980 -5.310 2.379 75 HB2 ARG 9 HB2 ARG 9 3.375 -4.205 -0.444 76 HB3 ARG 9 HB3 ARG 9 4.587 -5.148 0.419 77 HG2 ARG 9 HG2 ARG 9 1.863 -6.184 -0.465 78 HG3 ARG 9 HG3 ARG 9 3.400 -6.476 -1.242 79 HD2 ARG 9 HD2 ARG 9 4.245 -7.684 0.707 80 HD3 ARG 9 HD3 ARG 9 2.793 -7.321 1.628 81 HE ARG 9 HE ARG 9 3.059 -9.245 -0.609 82 HH11 ARG 9 HH11 ARG 9 0.776 -7.780 1.660 83 HH12 ARG 9 HH12 ARG 9 -0.373 -9.089 1.460 84 HH21 ARG 9 HH21 ARG 9 1.505 -10.909 -0.742 85 HH22 ARG 9 HH22 ARG 9 0.076 -10.769 0.257 86 H MET 10 H MET 10 5.467 -4.239 2.111 87 HA MET 10 HA MET 10 5.342 -1.417 2.864 88 HB2 MET 10 HB2 MET 10 6.218 -1.783 5.104 89 HB3 MET 10 HB3 MET 10 4.623 -2.507 4.925 90 HG2 MET 10 HG2 MET 10 5.676 -4.738 4.608 91 HG3 MET 10 HG3 MET 10 7.269 -4.019 4.847 92 HE1 MET 10 HE1 MET 10 7.338 -3.124 8.617 93 HE2 MET 10 HE2 MET 10 8.246 -3.225 7.092 94 HE3 MET 10 HE3 MET 10 6.961 -2.008 7.290 95 H PHE 11 H PHE 11 7.214 -0.390 2.831 96 HA PHE 11 HA PHE 11 9.343 -1.718 1.270 97 HB2 PHE 11 HB2 PHE 11 7.864 0.180 0.397 98 HB3 PHE 11 HB3 PHE 11 8.640 1.232 1.569 99 HD1 PHE 11 HD2 PHE 11 9.370 -1.153 -1.226 100 HD2 PHE 11 HD1 PHE 11 10.609 2.386 0.890 101 HE1 PHE 11 HE2 PHE 11 11.243 -0.836 -2.845 102 HE2 PHE 11 HE1 PHE 11 12.478 2.703 -0.725 103 HZ PHE 11 HZ PHE 11 12.796 1.086 -2.584 104 H ALA 12 H ALA 12 11.545 -1.296 1.656 105 HA ALA 12 HA ALA 12 12.334 -1.464 4.320 106 HB1 ALA 12 HB1 ALA 12 14.613 -1.398 3.382 107 HB2 ALA 12 HB2 ALA 12 13.544 -2.409 2.393 108 HB3 ALA 12 HB3 ALA 12 13.978 -0.770 1.847 109 H ASN 13 H ASN 13 11.878 1.491 2.493 110 HA ASN 13 HA ASN 13 13.473 3.165 4.255 111 HB2 ASN 13 HB2 ASN 13 12.640 3.513 1.756 112 HB3 ASN 13 HB3 ASN 13 11.217 4.209 2.543 113 HD21 ASN 13 HD22 ASN 13 12.258 5.715 4.624 114 HD22 ASN 13 HD21 ASN 13 13.363 6.911 3.918 115 H GLY 14 H GLY 14 10.601 1.476 4.901 116 HA2 GLY 14 HA2 GLY 14 9.285 1.588 6.808 117 HA3 GLY 14 HA3 GLY 14 9.961 3.173 7.219 118 H THR 15 H THR 15 7.891 1.608 4.678 119 HA THR 15 HA THR 15 5.781 3.595 5.053 120 HB THR 15 HB THR 15 7.506 3.535 2.547 121 HG1 THR 15 HG1 THR 15 7.604 4.987 4.625 122 HG21 THR 15 HG21 THR 15 5.253 3.601 1.655 123 HG22 THR 15 HG22 THR 15 4.764 4.826 2.857 124 HG23 THR 15 HG23 THR 15 5.935 5.225 1.585 125 H VAL 16 H VAL 16 3.801 2.905 3.958 126 HA VAL 16 HA VAL 16 3.789 0.015 3.247 127 HB VAL 16 HB VAL 16 1.766 1.908 4.404 128 HG11 VAL 16 HG11 VAL 16 0.484 1.087 2.471 129 HG12 VAL 16 HG12 VAL 16 0.946 -0.589 2.852 130 HG13 VAL 16 HG13 VAL 16 -0.086 0.334 3.958 131 HG21 VAL 16 HG21 VAL 16 3.109 0.288 5.772 132 HG22 VAL 16 HG22 VAL 16 1.367 -0.035 5.857 133 HG23 VAL 16 HG23 VAL 16 2.403 -1.046 4.825 134 H TYR 17 H TYR 17 3.005 -0.739 1.361 135 HA TYR 17 HA TYR 17 1.946 1.138 -0.637 136 HB2 TYR 17 HB2 TYR 17 3.438 0.619 -2.358 137 HB3 TYR 17 HB3 TYR 17 4.457 0.947 -0.984 138 HD1 TYR 17 HD1 TYR 17 5.552 -0.928 0.272 139 HD2 TYR 17 HD2 TYR 17 3.462 -1.593 -3.456 140 HE1 TYR 17 HE1 TYR 17 6.747 -3.077 -0.023 141 HE2 TYR 17 HE2 TYR 17 4.664 -3.738 -3.733 142 HH TYR 17 HH TYR 17 7.131 -4.868 -1.428 143 H TYR 18 H TYR 18 1.378 -0.357 -2.696 144 HA TYR 18 HA TYR 18 0.009 -2.807 -1.698 145 HB2 TYR 18 HB2 TYR 18 -1.023 -0.573 -3.479 146 HB3 TYR 18 HB3 TYR 18 -1.841 -2.112 -3.204 147 HD1 TYR 18 HD2 TYR 18 -2.745 -2.720 -1.036 148 HD2 TYR 18 HD1 TYR 18 -0.882 1.113 -1.657 149 HE1 TYR 18 HE2 TYR 18 -3.758 -1.883 1.072 150 HE2 TYR 18 HE1 TYR 18 -1.822 1.916 0.500 151 HH TYR 18 HH TYR 18 -4.386 0.195 2.181 152 H PHE 19 H PHE 19 0.305 -4.570 -2.904 153 HA PHE 19 HA PHE 19 1.563 -4.352 -5.607 154 HB2 PHE 19 HB2 PHE 19 3.064 -5.279 -3.910 155 HB3 PHE 19 HB3 PHE 19 1.834 -6.410 -3.383 156 HD1 PHE 19 HD2 PHE 19 3.770 -5.390 -6.442 157 HD2 PHE 19 HD1 PHE 19 1.784 -8.605 -4.349 158 HE1 PHE 19 HE2 PHE 19 4.601 -6.996 -8.117 159 HE2 PHE 19 HE1 PHE 19 2.650 -10.215 -6.023 160 HZ PHE 19 HZ PHE 19 4.037 -9.416 -7.930 161 H ASN 20 H ASN 20 0.431 -5.261 -7.274 162 HA ASN 20 HA ASN 20 -2.020 -6.789 -6.618 163 HB2 ASN 20 HB2 ASN 20 -2.179 -4.823 -8.149 164 HB3 ASN 20 HB3 ASN 20 -1.135 -5.673 -9.269 165 HD21 ASN 20 HD22 ASN 20 -4.408 -5.435 -7.987 166 HD22 ASN 20 HD21 ASN 20 -5.070 -6.816 -8.827 167 H HIS 21 H HIS 21 -1.431 -8.879 -6.178 168 HA HIS 21 HA HIS 21 0.797 -10.124 -7.513 169 HB2 HIS 21 HB2 HIS 21 0.372 -11.987 -6.103 170 HB3 HIS 21 HB3 HIS 21 0.128 -10.532 -5.168 171 HD1 HIS 21 HD1 HIS 21 -2.183 -10.348 -3.943 172 HD2 HIS 21 HD2 HIS 21 -2.079 -13.177 -7.051 173 HE1 HIS 21 HE1 HIS 21 -4.345 -11.706 -3.768 174 H ILE 22 H ILE 22 -2.206 -9.587 -8.878 175 HA ILE 22 HA ILE 22 -2.148 -12.088 -10.500 176 HB ILE 22 HB ILE 22 -4.211 -9.884 -10.162 177 HG12 ILE 22 HG12 ILE 22 -4.105 -11.439 -8.260 178 HG13 ILE 22 HG13 ILE 22 -5.619 -11.556 -9.130 179 HG21 ILE 22 HG21 ILE 22 -5.741 -11.342 -11.526 180 HG22 ILE 22 HG22 ILE 22 -4.450 -10.566 -12.441 181 HG23 ILE 22 HG23 ILE 22 -4.313 -12.283 -12.022 182 HD11 ILE 22 HD11 ILE 22 -3.305 -13.541 -9.309 183 HD12 ILE 22 HD12 ILE 22 -4.818 -13.755 -8.420 184 HD13 ILE 22 HD13 ILE 22 -4.848 -13.675 -10.188 185 H THR 23 H THR 23 -1.153 -8.786 -10.594 186 HA THR 23 HA THR 23 -0.628 -8.973 -13.554 187 HB THR 23 HB THR 23 -1.022 -6.538 -13.653 188 HG1 THR 23 HG1 THR 23 -2.026 -6.835 -11.031 189 HG21 THR 23 HG21 THR 23 -3.437 -6.483 -13.407 190 HG22 THR 23 HG22 THR 23 -2.952 -8.036 -14.113 191 HG23 THR 23 HG23 THR 23 -3.424 -7.948 -12.404 192 H ASN 24 H ASN 24 0.803 -8.488 -10.469 193 HA ASN 24 HA ASN 24 2.746 -7.877 -9.721 194 HB2 ASN 24 HB2 ASN 24 3.526 -9.193 -11.850 195 HB3 ASN 24 HB3 ASN 24 3.973 -7.604 -12.466 196 HD21 ASN 24 HD22 ASN 24 5.280 -6.286 -10.649 197 HD22 ASN 24 HD21 ASN 24 6.630 -7.254 -10.006 198 H ALA 25 H ALA 25 0.593 -5.801 -10.894 199 HA ALA 25 HA ALA 25 2.173 -3.409 -11.197 200 HB1 ALA 25 HB1 ALA 25 0.063 -2.240 -10.884 201 HB2 ALA 25 HB2 ALA 25 -0.192 -3.642 -11.940 202 HB3 ALA 25 HB3 ALA 25 -0.705 -3.699 -10.240 203 H SER 26 H SER 26 2.433 -1.651 -9.657 204 HA SER 26 HA SER 26 2.190 -2.271 -6.770 205 HB2 SER 26 HB2 SER 26 4.472 -1.613 -6.358 206 HB3 SER 26 HB3 SER 26 4.443 -3.043 -7.416 207 HG SER 26 HG SER 26 4.485 -0.432 -8.491 208 H GLN 27 H GLN 27 1.473 -0.515 -5.703 209 HA GLN 27 HA GLN 27 2.003 2.240 -6.696 210 HB2 GLN 27 HB2 GLN 27 -0.756 0.970 -6.385 211 HB3 GLN 27 HB3 GLN 27 -0.500 2.713 -6.334 212 HG2 GLN 27 HG2 GLN 27 0.503 2.666 -8.597 213 HG3 GLN 27 HG3 GLN 27 0.236 0.919 -8.686 214 HE21 GLN 27 HE22 GLN 27 -1.469 4.108 -8.496 215 HE22 GLN 27 HE21 GLN 27 -2.956 3.418 -9.183 216 H PHE 28 H PHE 28 1.470 3.895 -5.055 217 HA PHE 28 HA PHE 28 1.626 2.855 -2.249 218 HB2 PHE 28 HB2 PHE 28 2.037 5.626 -3.425 219 HB3 PHE 28 HB3 PHE 28 2.080 5.234 -1.708 220 HD1 PHE 28 HD1 PHE 28 3.754 3.416 -0.916 221 HD2 PHE 28 HD2 PHE 28 4.038 5.407 -4.728 222 HE1 PHE 28 HE1 PHE 28 6.139 2.782 -1.065 223 HE2 PHE 28 HE2 PHE 28 6.431 4.760 -4.882 224 HZ PHE 28 HZ PHE 28 7.490 3.451 -3.051 225 H GLU 29 H GLU 29 -0.276 4.619 -4.564 226 HA GLU 29 HA GLU 29 -2.364 5.717 -3.082 227 HB2 GLU 29 HB2 GLU 29 -2.687 4.489 -5.850 228 HB3 GLU 29 HB3 GLU 29 -3.544 5.847 -5.135 229 HG2 GLU 29 HG2 GLU 29 -2.113 6.953 -6.548 230 HG3 GLU 29 HG3 GLU 29 -1.149 6.986 -5.076 231 H ARG 30 H ARG 30 -3.580 4.676 -1.605 232 HA ARG 30 HA ARG 30 -3.740 1.917 -1.446 233 HB2 ARG 30 HB2 ARG 30 -5.020 2.189 0.525 234 HB3 ARG 30 HB3 ARG 30 -3.719 3.372 0.444 235 HG2 ARG 30 HG2 ARG 30 -5.579 5.016 -0.429 236 HG3 ARG 30 HG3 ARG 30 -6.696 3.803 0.223 237 HD2 ARG 30 HD2 ARG 30 -4.568 5.370 1.722 238 HD3 ARG 30 HD3 ARG 30 -6.318 5.500 1.907 239 HE ARG 30 HE ARG 30 -6.267 3.083 2.756 240 HH11 ARG 30 HH21 ARG 30 -3.241 4.853 3.092 241 HH12 ARG 30 HH22 ARG 30 -2.670 3.706 4.283 242 HH21 ARG 30 HH12 ARG 30 -5.554 1.800 4.031 243 HH22 ARG 30 HH11 ARG 30 -3.985 1.906 4.845 244 HA PRO 31 HA PRO 31 -7.179 1.317 -4.271 245 HB2 PRO 31 HB2 PRO 31 -6.799 -1.273 -4.907 246 HB3 PRO 31 HB3 PRO 31 -5.625 -0.012 -5.373 247 HG2 PRO 31 HG2 PRO 31 -5.457 -1.915 -3.020 248 HG3 PRO 31 HG3 PRO 31 -4.176 -1.501 -4.189 249 HD2 PRO 31 HD2 PRO 31 -4.504 -0.281 -1.718 250 HD3 PRO 31 HD3 PRO 31 -3.684 0.471 -3.115 251 H SER 32 H SER 32 -8.497 1.845 -2.405 252 HA SER 32 HA SER 32 -10.264 1.525 -0.993 253 HB2 SER 32 HB2 SER 32 -10.656 -1.103 -2.457 254 HB3 SER 32 HB3 SER 32 -11.865 -0.244 -1.495 255 HG SER 32 HG SER 32 -11.814 1.435 -2.992 256 H GLY 33 H GLY 33 -8.022 1.106 0.355 257 HA2 GLY 33 HA2 GLY 33 -8.876 -0.046 2.715 258 HA3 GLY 33 HA3 GLY 33 -7.940 -1.322 1.935 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -13.486 1.115 -4.832 2 H2 LYS 1 H2 LYS 1 -12.505 0.313 -3.785 3 H3 LYS 1 H3 LYS 1 -12.948 -0.393 -5.210 4 HA LYS 1 HA LYS 1 -11.783 1.309 -6.457 5 HB2 LYS 1 HB2 LYS 1 -11.955 3.047 -4.665 6 HB3 LYS 1 HB3 LYS 1 -10.676 2.207 -3.776 7 HG2 LYS 1 HG2 LYS 1 -9.134 2.521 -5.712 8 HG3 LYS 1 HG3 LYS 1 -10.432 3.342 -6.599 9 HD2 LYS 1 HD2 LYS 1 -10.514 5.071 -4.779 10 HD3 LYS 1 HD3 LYS 1 -9.141 4.284 -3.993 11 HE2 LYS 1 HE2 LYS 1 -9.146 5.506 -6.796 12 HE3 LYS 1 HE3 LYS 1 -8.496 6.263 -5.338 13 HZ1 LYS 1 HZ1 LYS 1 -6.654 5.314 -6.383 14 HZ2 LYS 1 HZ2 LYS 1 -6.892 4.418 -5.160 15 HZ3 LYS 1 HZ3 LYS 1 -7.398 3.840 -6.655 16 H LEU 2 H LEU 2 -10.482 -0.521 -3.568 17 HA LEU 2 HA LEU 2 -8.017 -1.240 -4.695 18 HB2 LEU 2 HB2 LEU 2 -8.675 -1.558 -2.367 19 HB3 LEU 2 HB3 LEU 2 -9.917 -2.711 -2.843 20 HG LEU 2 HG LEU 2 -8.156 -4.290 -3.618 21 HD11 LEU 2 HD11 LEU 2 -5.829 -3.942 -3.026 22 HD12 LEU 2 HD12 LEU 2 -6.335 -2.654 -4.130 23 HD13 LEU 2 HD13 LEU 2 -6.186 -2.338 -2.383 24 HD21 LEU 2 HD21 LEU 2 -7.347 -4.900 -1.386 25 HD22 LEU 2 HD22 LEU 2 -7.768 -3.288 -0.766 26 HD23 LEU 2 HD23 LEU 2 -9.045 -4.400 -1.310 27 HA PRO 3 HA PRO 3 -9.959 -3.703 -7.942 28 HB2 PRO 3 HB2 PRO 3 -7.371 -4.016 -9.303 29 HB3 PRO 3 HB3 PRO 3 -8.808 -3.108 -9.813 30 HG2 PRO 3 HG2 PRO 3 -6.474 -1.873 -8.986 31 HG3 PRO 3 HG3 PRO 3 -8.105 -1.160 -8.775 32 HD2 PRO 3 HD2 PRO 3 -6.451 -2.670 -6.746 33 HD3 PRO 3 HD3 PRO 3 -7.368 -1.150 -6.580 34 HA PRO 4 HA PRO 4 -9.326 -8.078 -7.453 35 HB2 PRO 4 HB2 PRO 4 -8.696 -8.222 -10.409 36 HB3 PRO 4 HB3 PRO 4 -9.760 -9.282 -9.431 37 HG2 PRO 4 HG2 PRO 4 -10.838 -7.322 -10.949 38 HG3 PRO 4 HG3 PRO 4 -11.430 -7.573 -9.273 39 HD2 PRO 4 HD2 PRO 4 -9.475 -5.503 -10.289 40 HD3 PRO 4 HD3 PRO 4 -10.836 -5.309 -9.142 41 H GLY 5 H GLY 5 -7.665 -9.161 -6.574 42 HA2 GLY 5 HA2 GLY 5 -5.640 -10.183 -6.336 43 HA3 GLY 5 HA3 GLY 5 -5.177 -9.626 -7.944 44 H TRP 6 H TRP 6 -6.058 -6.881 -6.048 45 HA TRP 6 HA TRP 6 -3.202 -6.263 -5.569 46 HB2 TRP 6 HB2 TRP 6 -5.725 -4.614 -5.457 47 HB3 TRP 6 HB3 TRP 6 -4.147 -4.027 -4.949 48 HD1 TRP 6 HD1 TRP 6 -5.884 -5.316 -8.119 49 HE1 TRP 6 HE1 TRP 6 -4.835 -4.161 -10.179 50 HE3 TRP 6 HE3 TRP 6 -2.030 -2.908 -5.806 51 HZ2 TRP 6 HZ2 TRP 6 -2.629 -2.385 -10.722 52 HZ3 TRP 6 HZ3 TRP 6 -0.453 -1.524 -7.106 53 HH2 TRP 6 HH2 TRP 6 -0.744 -1.231 -9.553 54 H GLU 7 H GLU 7 -2.238 -6.139 -3.668 55 HA GLU 7 HA GLU 7 -3.766 -6.652 -1.156 56 HB2 GLU 7 HB2 GLU 7 -2.733 -8.644 -2.384 57 HB3 GLU 7 HB3 GLU 7 -1.162 -7.878 -2.146 58 HG2 GLU 7 HG2 GLU 7 -1.778 -7.943 0.397 59 HG3 GLU 7 HG3 GLU 7 -3.034 -9.091 -0.089 60 H LYS 8 H LYS 8 -2.796 -5.677 0.762 61 HA LYS 8 HA LYS 8 -0.960 -3.482 0.215 62 HB2 LYS 8 HB2 LYS 8 -1.325 -2.794 2.460 63 HB3 LYS 8 HB3 LYS 8 -2.856 -3.159 1.680 64 HG2 LYS 8 HG2 LYS 8 -2.960 -5.342 2.914 65 HG3 LYS 8 HG3 LYS 8 -1.439 -4.913 3.720 66 HD2 LYS 8 HD2 LYS 8 -3.173 -4.301 5.244 67 HD3 LYS 8 HD3 LYS 8 -2.553 -2.801 4.549 68 HE2 LYS 8 HE2 LYS 8 -4.562 -3.246 2.789 69 HE3 LYS 8 HE3 LYS 8 -5.212 -4.184 4.132 70 HZ1 LYS 8 HZ1 LYS 8 -5.980 -1.887 4.171 71 HZ2 LYS 8 HZ2 LYS 8 -5.013 -2.130 5.491 72 HZ3 LYS 8 HZ3 LYS 8 -4.468 -1.322 4.138 73 H ARG 9 H ARG 9 1.054 -3.237 0.930 74 HA ARG 9 HA ARG 9 2.578 -5.484 2.175 75 HB2 ARG 9 HB2 ARG 9 3.082 -4.250 -0.569 76 HB3 ARG 9 HB3 ARG 9 4.258 -5.267 0.263 77 HG2 ARG 9 HG2 ARG 9 1.515 -6.157 -0.709 78 HG3 ARG 9 HG3 ARG 9 3.063 -6.453 -1.498 79 HD2 ARG 9 HD2 ARG 9 3.838 -7.800 0.424 80 HD3 ARG 9 HD3 ARG 9 2.316 -7.482 1.266 81 HE ARG 9 HE ARG 9 1.272 -9.119 0.076 82 HH11 ARG 9 HH11 ARG 9 4.217 -8.454 -1.687 83 HH12 ARG 9 HH12 ARG 9 3.874 -9.642 -2.918 84 HH21 ARG 9 HH22 ARG 9 0.785 -10.509 -1.550 85 HH22 ARG 9 HH21 ARG 9 2.031 -10.951 -2.701 86 H MET 10 H MET 10 4.882 -4.857 2.578 87 HA MET 10 HA MET 10 5.112 -1.998 3.397 88 HB2 MET 10 HB2 MET 10 5.158 -3.779 5.178 89 HB3 MET 10 HB3 MET 10 6.589 -4.459 4.388 90 HG2 MET 10 HG2 MET 10 7.258 -3.132 6.275 91 HG3 MET 10 HG3 MET 10 7.822 -2.357 4.799 92 HE1 MET 10 HE1 MET 10 7.240 0.622 7.234 93 HE2 MET 10 HE2 MET 10 7.680 -1.021 7.759 94 HE3 MET 10 HE3 MET 10 8.403 -0.342 6.283 95 H PHE 11 H PHE 11 6.812 -0.798 2.677 96 HA PHE 11 HA PHE 11 8.670 -2.023 0.700 97 HB2 PHE 11 HB2 PHE 11 6.920 -0.170 0.081 98 HB3 PHE 11 HB3 PHE 11 8.041 0.924 0.855 99 HD1 PHE 11 HD1 PHE 11 7.497 -1.454 -1.938 100 HD2 PHE 11 HD2 PHE 11 10.212 1.448 -0.268 101 HE1 PHE 11 HE1 PHE 11 8.788 -1.443 -4.049 102 HE2 PHE 11 HE2 PHE 11 11.503 1.453 -2.379 103 HZ PHE 11 HZ PHE 11 10.797 0.008 -4.275 104 H ALA 12 H ALA 12 10.839 -1.459 0.690 105 HA ALA 12 HA ALA 12 12.040 -1.571 3.194 106 HB1 ALA 12 HB1 ALA 12 14.129 -1.565 1.889 107 HB2 ALA 12 HB2 ALA 12 12.897 -2.576 1.114 108 HB3 ALA 12 HB3 ALA 12 13.255 -0.955 0.467 109 H ASN 13 H ASN 13 11.058 1.405 1.710 110 HA ASN 13 HA ASN 13 13.157 3.013 2.999 111 HB2 ASN 13 HB2 ASN 13 12.077 4.869 1.986 112 HB3 ASN 13 HB3 ASN 13 12.015 3.595 0.767 113 HD21 ASN 13 HD22 ASN 13 10.135 5.939 2.384 114 HD22 ASN 13 HD21 ASN 13 8.573 5.164 2.182 115 H GLY 14 H GLY 14 10.320 1.424 4.080 116 HA2 GLY 14 HA2 GLY 14 9.368 1.608 6.246 117 HA3 GLY 14 HA3 GLY 14 10.032 3.232 6.431 118 H THR 15 H THR 15 7.759 1.471 4.174 119 HA THR 15 HA THR 15 5.625 3.403 4.715 120 HB THR 15 HB THR 15 7.039 3.277 2.023 121 HG1 THR 15 HG1 THR 15 7.340 4.813 4.083 122 HG21 THR 15 HG21 THR 15 4.721 3.352 1.428 123 HG22 THR 15 HG22 THR 15 4.379 4.594 2.664 124 HG23 THR 15 HG23 THR 15 5.380 4.977 1.246 125 H VAL 16 H VAL 16 3.574 2.619 3.941 126 HA VAL 16 HA VAL 16 3.590 -0.209 3.022 127 HB VAL 16 HB VAL 16 1.608 1.455 4.556 128 HG11 VAL 16 HG11 VAL 16 0.174 0.640 2.730 129 HG12 VAL 16 HG12 VAL 16 0.818 -1.009 2.932 130 HG13 VAL 16 HG13 VAL 16 -0.152 -0.254 4.213 131 HG21 VAL 16 HG21 VAL 16 3.216 -0.116 5.657 132 HG22 VAL 16 HG22 VAL 16 1.533 -0.618 5.899 133 HG23 VAL 16 HG23 VAL 16 2.539 -1.449 4.689 134 H TYR 17 H TYR 17 2.632 -0.836 1.200 135 HA TYR 17 HA TYR 17 1.490 1.170 -0.659 136 HB2 TYR 17 HB2 TYR 17 3.034 0.801 -2.360 137 HB3 TYR 17 HB3 TYR 17 4.041 0.913 -0.942 138 HD1 TYR 17 HD1 TYR 17 4.910 -1.251 0.141 139 HD2 TYR 17 HD2 TYR 17 3.001 -1.188 -3.721 140 HE1 TYR 17 HE1 TYR 17 6.012 -3.425 -0.463 141 HE2 TYR 17 HE2 TYR 17 4.080 -3.307 -4.317 142 HH TYR 17 HH TYR 17 5.628 -4.904 -3.666 143 H TYR 18 H TYR 18 0.821 -0.124 -2.772 144 HA TYR 18 HA TYR 18 -0.410 -2.705 -1.984 145 HB2 TYR 18 HB2 TYR 18 -1.493 -0.361 -3.570 146 HB3 TYR 18 HB3 TYR 18 -2.171 -1.981 -3.714 147 HD1 TYR 18 HD1 TYR 18 -1.273 0.586 -1.111 148 HD2 TYR 18 HD2 TYR 18 -3.775 -2.763 -2.192 149 HE1 TYR 18 HE1 TYR 18 -2.337 0.669 1.098 150 HE2 TYR 18 HE2 TYR 18 -5.030 -2.512 -0.073 151 HH TYR 18 HH TYR 18 -5.313 -1.264 1.840 152 H PHE 19 H PHE 19 -0.187 -4.391 -3.179 153 HA PHE 19 HA PHE 19 1.442 -4.320 -5.676 154 HB2 PHE 19 HB2 PHE 19 2.682 -4.971 -3.657 155 HB3 PHE 19 HB3 PHE 19 1.429 -6.087 -3.204 156 HD1 PHE 19 HD1 PHE 19 4.205 -5.473 -5.592 157 HD2 PHE 19 HD2 PHE 19 1.293 -8.321 -4.173 158 HE1 PHE 19 HE1 PHE 19 5.442 -7.305 -6.723 159 HE2 PHE 19 HE2 PHE 19 2.559 -10.151 -5.295 160 HZ PHE 19 HZ PHE 19 4.593 -9.634 -6.606 161 H ASN 20 H ASN 20 0.345 -5.159 -7.379 162 HA ASN 20 HA ASN 20 -1.954 -6.903 -7.094 163 HB2 ASN 20 HB2 ASN 20 -1.659 -5.250 -8.952 164 HB3 ASN 20 HB3 ASN 20 -0.301 -6.194 -9.533 165 HD21 ASN 20 HD22 ASN 20 -3.835 -6.267 -8.952 166 HD22 ASN 20 HD21 ASN 20 -4.138 -7.656 -9.954 167 H HIS 21 H HIS 21 -1.535 -8.912 -6.200 168 HA HIS 21 HA HIS 21 0.969 -10.267 -6.764 169 HB2 HIS 21 HB2 HIS 21 0.128 -12.024 -5.287 170 HB3 HIS 21 HB3 HIS 21 0.073 -10.427 -4.581 171 HD1 HIS 21 HD1 HIS 21 -1.770 -10.871 -2.820 172 HD2 HIS 21 HD2 HIS 21 -2.816 -11.904 -6.786 173 HE1 HIS 21 HE1 HIS 21 -4.281 -11.396 -2.832 174 H ILE 22 H ILE 22 -1.347 -9.864 -8.966 175 HA ILE 22 HA ILE 22 -1.003 -12.591 -10.121 176 HB ILE 22 HB ILE 22 -2.730 -10.309 -11.134 177 HG12 ILE 22 HG12 ILE 22 -3.611 -10.910 -8.950 178 HG13 ILE 22 HG13 ILE 22 -4.692 -11.405 -10.230 179 HG21 ILE 22 HG21 ILE 22 -3.916 -12.152 -12.361 180 HG22 ILE 22 HG22 ILE 22 -2.265 -11.864 -12.903 181 HG23 ILE 22 HG23 ILE 22 -2.615 -13.256 -11.863 182 HD11 ILE 22 HD11 ILE 22 -4.542 -13.086 -8.433 183 HD12 ILE 22 HD12 ILE 22 -3.994 -13.756 -9.979 184 HD13 ILE 22 HD13 ILE 22 -2.806 -13.288 -8.739 185 H THR 23 H THR 23 0.193 -9.306 -10.299 186 HA THR 23 HA THR 23 1.699 -9.954 -12.822 187 HB THR 23 HB THR 23 1.221 -7.677 -13.618 188 HG1 THR 23 HG1 THR 23 -0.640 -7.555 -11.485 189 HG21 THR 23 HG21 THR 23 -0.324 -9.503 -14.318 190 HG22 THR 23 HG22 THR 23 -1.400 -9.090 -12.966 191 HG23 THR 23 HG23 THR 23 -1.095 -7.906 -14.252 192 H ASN 24 H ASN 24 1.911 -8.465 -9.668 193 HA ASN 24 HA ASN 24 3.527 -7.523 -8.536 194 HB2 ASN 24 HB2 ASN 24 5.358 -7.311 -10.948 195 HB3 ASN 24 HB3 ASN 24 5.779 -7.130 -9.259 196 HD21 ASN 24 HD22 ASN 24 4.913 -9.440 -11.755 197 HD22 ASN 24 HD21 ASN 24 5.554 -10.849 -10.879 198 H ALA 25 H ALA 25 1.729 -6.074 -10.960 199 HA ALA 25 HA ALA 25 2.770 -3.468 -11.160 200 HB1 ALA 25 HB1 ALA 25 0.450 -2.805 -11.623 201 HB2 ALA 25 HB2 ALA 25 0.837 -4.327 -12.451 202 HB3 ALA 25 HB3 ALA 25 -0.147 -4.341 -10.971 203 H SER 26 H SER 26 2.932 -1.727 -9.726 204 HA SER 26 HA SER 26 1.891 -2.197 -6.973 205 HB2 SER 26 HB2 SER 26 4.714 -1.496 -7.814 206 HB3 SER 26 HB3 SER 26 4.107 -1.454 -6.150 207 HG SER 26 HG SER 26 4.167 -3.776 -7.854 208 H GLN 27 H GLN 27 1.397 -0.475 -5.731 209 HA GLN 27 HA GLN 27 1.376 2.266 -6.908 210 HB2 GLN 27 HB2 GLN 27 -0.672 1.021 -7.558 211 HB3 GLN 27 HB3 GLN 27 -0.965 0.602 -5.867 212 HG2 GLN 27 HG2 GLN 27 -1.157 3.084 -5.381 213 HG3 GLN 27 HG3 GLN 27 -1.081 3.373 -7.121 214 HE21 GLN 27 HE22 GLN 27 -3.141 2.563 -4.417 215 HE22 GLN 27 HE21 GLN 27 -4.567 2.328 -5.412 216 H PHE 28 H PHE 28 2.122 3.711 -5.327 217 HA PHE 28 HA PHE 28 2.147 2.913 -2.511 218 HB2 PHE 28 HB2 PHE 28 3.094 5.358 -4.020 219 HB3 PHE 28 HB3 PHE 28 3.092 5.280 -2.264 220 HD1 PHE 28 HD1 PHE 28 4.320 3.412 -1.070 221 HD2 PHE 28 HD2 PHE 28 4.904 4.272 -5.255 222 HE1 PHE 28 HE1 PHE 28 6.498 2.216 -1.014 223 HE2 PHE 28 HE2 PHE 28 7.059 3.042 -5.200 224 HZ PHE 28 HZ PHE 28 7.861 2.020 -3.081 225 H GLU 29 H GLU 29 -0.167 4.669 -4.458 226 HA GLU 29 HA GLU 29 -1.472 6.065 -2.288 227 HB2 GLU 29 HB2 GLU 29 -1.840 6.613 -4.663 228 HB3 GLU 29 HB3 GLU 29 -2.513 5.018 -4.955 229 HG2 GLU 29 HG2 GLU 29 -3.988 6.220 -2.762 230 HG3 GLU 29 HG3 GLU 29 -3.825 7.414 -4.032 231 H ARG 30 H ARG 30 -2.733 5.217 -0.671 232 HA ARG 30 HA ARG 30 -3.395 2.374 -0.623 233 HB2 ARG 30 HB2 ARG 30 -2.627 3.561 1.392 234 HB3 ARG 30 HB3 ARG 30 -4.051 4.592 1.349 235 HG2 ARG 30 HG2 ARG 30 -4.920 1.813 1.253 236 HG3 ARG 30 HG3 ARG 30 -3.699 1.963 2.515 237 HD2 ARG 30 HD2 ARG 30 -5.924 2.250 3.448 238 HD3 ARG 30 HD3 ARG 30 -4.997 3.759 3.587 239 HE ARG 30 HE ARG 30 -6.854 3.296 1.282 240 HH11 ARG 30 HH11 ARG 30 -6.608 5.089 4.245 241 HH12 ARG 30 HH12 ARG 30 -7.268 6.553 3.552 242 HH21 ARG 30 HH22 ARG 30 -7.108 5.263 0.356 243 HH22 ARG 30 HH21 ARG 30 -7.757 6.589 1.314 244 HA PRO 31 HA PRO 31 -7.413 3.479 -2.514 245 HB2 PRO 31 HB2 PRO 31 -8.089 1.098 -3.560 246 HB3 PRO 31 HB3 PRO 31 -6.682 1.991 -4.200 247 HG2 PRO 31 HG2 PRO 31 -6.675 -0.206 -2.107 248 HG3 PRO 31 HG3 PRO 31 -5.712 -0.138 -3.627 249 HD2 PRO 31 HD2 PRO 31 -4.796 0.706 -1.171 250 HD3 PRO 31 HD3 PRO 31 -4.248 1.425 -2.707 251 H SER 32 H SER 32 -9.550 1.671 -2.321 252 HA SER 32 HA SER 32 -10.405 1.903 0.422 253 HB2 SER 32 HB2 SER 32 -12.488 0.999 -0.419 254 HB3 SER 32 HB3 SER 32 -11.886 2.194 -1.586 255 HG SER 32 HG SER 32 -11.412 -0.581 -1.625 256 H GLY 33 H GLY 33 -8.675 0.566 1.466 257 HA2 GLY 33 HA2 GLY 33 -9.621 -1.677 2.660 258 HA3 GLY 33 HA3 GLY 33 -8.900 -2.363 1.199 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -10.630 3.265 -3.523 2 H2 LYS 1 H2 LYS 1 -10.488 2.648 -5.062 3 H3 LYS 1 H3 LYS 1 -9.147 3.153 -4.275 4 HA LYS 1 HA LYS 1 -9.439 1.458 -2.594 5 HB2 LYS 1 HB2 LYS 1 -12.016 1.184 -3.905 6 HB3 LYS 1 HB3 LYS 1 -11.166 -0.344 -4.058 7 HG2 LYS 1 HG2 LYS 1 -10.694 -0.365 -1.626 8 HG3 LYS 1 HG3 LYS 1 -11.554 1.158 -1.439 9 HD2 LYS 1 HD2 LYS 1 -12.697 -1.534 -2.290 10 HD3 LYS 1 HD3 LYS 1 -12.986 -0.696 -0.771 11 HE2 LYS 1 HE2 LYS 1 -13.985 0.119 -3.534 12 HE3 LYS 1 HE3 LYS 1 -14.937 -0.532 -2.194 13 HZ1 LYS 1 HZ1 LYS 1 -13.616 2.125 -2.323 14 HZ2 LYS 1 HZ2 LYS 1 -15.228 1.814 -2.166 15 HZ3 LYS 1 HZ3 LYS 1 -14.160 1.509 -0.925 16 H LEU 2 H LEU 2 -8.494 -0.660 -2.819 17 HA LEU 2 HA LEU 2 -6.654 -1.072 -4.909 18 HB2 LEU 2 HB2 LEU 2 -7.927 -3.028 -2.956 19 HB3 LEU 2 HB3 LEU 2 -6.553 -3.382 -3.976 20 HG LEU 2 HG LEU 2 -6.693 -1.470 -1.643 21 HD11 LEU 2 HD11 LEU 2 -6.289 -3.910 -1.232 22 HD12 LEU 2 HD12 LEU 2 -4.857 -3.821 -2.275 23 HD13 LEU 2 HD13 LEU 2 -4.907 -2.905 -0.762 24 HD21 LEU 2 HD21 LEU 2 -5.369 -0.272 -3.302 25 HD22 LEU 2 HD22 LEU 2 -4.305 -0.930 -2.078 26 HD23 LEU 2 HD23 LEU 2 -4.420 -1.734 -3.655 27 HA PRO 3 HA PRO 3 -9.464 -2.947 -7.972 28 HB2 PRO 3 HB2 PRO 3 -6.912 -3.409 -9.459 29 HB3 PRO 3 HB3 PRO 3 -8.406 -2.608 -10.011 30 HG2 PRO 3 HG2 PRO 3 -6.144 -1.182 -9.432 31 HG3 PRO 3 HG3 PRO 3 -7.784 -0.553 -9.071 32 HD2 PRO 3 HD2 PRO 3 -5.823 -1.857 -7.178 33 HD3 PRO 3 HD3 PRO 3 -6.853 -0.415 -6.947 34 HA PRO 4 HA PRO 4 -8.887 -7.391 -7.482 35 HB2 PRO 4 HB2 PRO 4 -8.371 -7.599 -10.456 36 HB3 PRO 4 HB3 PRO 4 -9.409 -8.627 -9.417 37 HG2 PRO 4 HG2 PRO 4 -10.525 -6.692 -10.940 38 HG3 PRO 4 HG3 PRO 4 -11.058 -6.897 -9.238 39 HD2 PRO 4 HD2 PRO 4 -9.113 -4.879 -10.371 40 HD3 PRO 4 HD3 PRO 4 -10.436 -4.629 -9.190 41 H GLY 5 H GLY 5 -7.205 -8.535 -6.715 42 HA2 GLY 5 HA2 GLY 5 -5.206 -9.681 -6.716 43 HA3 GLY 5 HA3 GLY 5 -4.750 -8.895 -8.226 44 H TRP 6 H TRP 6 -5.499 -6.338 -6.139 45 HA TRP 6 HA TRP 6 -2.632 -5.916 -5.556 46 HB2 TRP 6 HB2 TRP 6 -5.068 -4.156 -5.327 47 HB3 TRP 6 HB3 TRP 6 -3.441 -3.666 -4.875 48 HD1 TRP 6 HD1 TRP 6 -5.491 -4.640 -7.971 49 HE1 TRP 6 HE1 TRP 6 -4.486 -3.526 -10.054 50 HE3 TRP 6 HE3 TRP 6 -1.205 -2.822 -5.895 51 HZ2 TRP 6 HZ2 TRP 6 -2.087 -2.094 -10.745 52 HZ3 TRP 6 HZ3 TRP 6 0.485 -1.728 -7.315 53 HH2 TRP 6 HH2 TRP 6 0.057 -1.309 -9.724 54 H GLU 7 H GLU 7 -1.688 -6.028 -3.571 55 HA GLU 7 HA GLU 7 -3.390 -6.291 -1.138 56 HB2 GLU 7 HB2 GLU 7 -2.581 -8.476 -2.392 57 HB3 GLU 7 HB3 GLU 7 -1.030 -8.127 -1.649 58 HG2 GLU 7 HG2 GLU 7 -3.679 -8.456 -0.153 59 HG3 GLU 7 HG3 GLU 7 -2.546 -9.770 -0.460 60 H LYS 8 H LYS 8 -2.181 -5.903 0.896 61 HA LYS 8 HA LYS 8 -0.494 -3.555 0.773 62 HB2 LYS 8 HB2 LYS 8 -2.097 -3.582 2.428 63 HB3 LYS 8 HB3 LYS 8 -1.922 -5.251 2.824 64 HG2 LYS 8 HG2 LYS 8 0.161 -3.162 3.549 65 HG3 LYS 8 HG3 LYS 8 -1.235 -3.538 4.541 66 HD2 LYS 8 HD2 LYS 8 1.164 -5.309 4.026 67 HD3 LYS 8 HD3 LYS 8 0.565 -4.642 5.510 68 HE2 LYS 8 HE2 LYS 8 0.007 -6.852 5.710 69 HE3 LYS 8 HE3 LYS 8 -1.528 -6.125 5.231 70 HZ1 LYS 8 HZ1 LYS 8 -0.610 -8.290 4.046 71 HZ2 LYS 8 HZ2 LYS 8 -1.400 -7.199 3.138 72 HZ3 LYS 8 HZ3 LYS 8 0.197 -7.198 3.098 73 H ARG 9 H ARG 9 1.643 -3.412 0.864 74 HA ARG 9 HA ARG 9 3.295 -5.563 2.075 75 HB2 ARG 9 HB2 ARG 9 3.773 -4.411 -0.707 76 HB3 ARG 9 HB3 ARG 9 4.880 -5.498 0.132 77 HG2 ARG 9 HG2 ARG 9 2.079 -6.166 -0.838 78 HG3 ARG 9 HG3 ARG 9 3.586 -6.653 -1.596 79 HD2 ARG 9 HD2 ARG 9 4.057 -8.292 -0.038 80 HD3 ARG 9 HD3 ARG 9 3.209 -7.476 1.262 81 HE ARG 9 HE ARG 9 1.129 -8.320 0.590 82 HH11 ARG 9 HH11 ARG 9 3.524 -9.457 -1.726 83 HH12 ARG 9 HH12 ARG 9 2.542 -10.828 -2.179 84 HH21 ARG 9 HH21 ARG 9 0.016 -9.915 0.052 85 HH22 ARG 9 HH22 ARG 9 0.474 -11.121 -1.175 86 H MET 10 H MET 10 5.624 -4.886 2.267 87 HA MET 10 HA MET 10 5.773 -2.074 3.229 88 HB2 MET 10 HB2 MET 10 7.211 -4.632 4.033 89 HB3 MET 10 HB3 MET 10 7.757 -3.028 4.535 90 HG2 MET 10 HG2 MET 10 4.975 -4.109 5.107 91 HG3 MET 10 HG3 MET 10 6.342 -4.217 6.217 92 HE1 MET 10 HE1 MET 10 4.928 -3.098 8.123 93 HE2 MET 10 HE2 MET 10 4.073 -1.549 7.944 94 HE3 MET 10 HE3 MET 10 3.538 -2.969 7.016 95 H PHE 11 H PHE 11 7.125 -0.694 2.244 96 HA PHE 11 HA PHE 11 8.906 -1.640 0.094 97 HB2 PHE 11 HB2 PHE 11 7.262 0.412 0.034 98 HB3 PHE 11 HB3 PHE 11 8.518 1.241 0.926 99 HD1 PHE 11 HD2 PHE 11 7.680 -0.563 -2.229 100 HD2 PHE 11 HD1 PHE 11 10.555 1.981 -0.259 101 HE1 PHE 11 HE2 PHE 11 8.841 -0.197 -4.385 102 HE2 PHE 11 HE1 PHE 11 11.713 2.338 -2.418 103 HZ PHE 11 HZ PHE 11 10.862 1.249 -4.485 104 H ALA 12 H ALA 12 11.126 -0.962 -0.021 105 HA ALA 12 HA ALA 12 12.564 -1.845 2.171 106 HB1 ALA 12 HB1 ALA 12 14.524 -1.304 0.781 107 HB2 ALA 12 HB2 ALA 12 13.234 -2.035 -0.189 108 HB3 ALA 12 HB3 ALA 12 13.516 -0.278 -0.262 109 H ASN 13 H ASN 13 11.482 1.450 1.844 110 HA ASN 13 HA ASN 13 13.651 2.516 3.543 111 HB2 ASN 13 HB2 ASN 13 12.659 4.644 3.095 112 HB3 ASN 13 HB3 ASN 13 12.662 3.783 1.556 113 HD21 ASN 13 HD22 ASN 13 10.712 5.613 3.663 114 HD22 ASN 13 HD21 ASN 13 9.154 4.993 3.142 115 H GLY 14 H GLY 14 10.766 0.780 4.110 116 HA2 GLY 14 HA2 GLY 14 9.676 0.433 6.166 117 HA3 GLY 14 HA3 GLY 14 10.457 1.865 6.857 118 H THR 15 H THR 15 8.021 0.859 4.399 119 HA THR 15 HA THR 15 6.100 2.881 5.228 120 HB THR 15 HB THR 15 7.629 3.095 2.608 121 HG1 THR 15 HG1 THR 15 7.932 4.234 4.840 122 HG21 THR 15 HG21 THR 15 4.968 4.422 3.243 123 HG22 THR 15 HG22 THR 15 6.087 4.943 1.965 124 HG23 THR 15 HG23 THR 15 5.349 3.342 1.869 125 H VAL 16 H VAL 16 3.984 2.449 4.134 126 HA VAL 16 HA VAL 16 3.859 -0.330 3.093 127 HB VAL 16 HB VAL 16 1.847 1.475 4.429 128 HG11 VAL 16 HG11 VAL 16 0.575 0.685 2.476 129 HG12 VAL 16 HG12 VAL 16 1.130 -0.981 2.756 130 HG13 VAL 16 HG13 VAL 16 0.057 -0.179 3.922 131 HG21 VAL 16 HG21 VAL 16 2.655 -1.455 4.681 132 HG22 VAL 16 HG22 VAL 16 3.226 -0.131 5.731 133 HG23 VAL 16 HG23 VAL 16 1.518 -0.602 5.758 134 H TYR 17 H TYR 17 3.123 -0.863 1.199 135 HA TYR 17 HA TYR 17 1.883 1.123 -0.586 136 HB2 TYR 17 HB2 TYR 17 3.291 0.821 -2.407 137 HB3 TYR 17 HB3 TYR 17 4.402 1.033 -1.076 138 HD1 TYR 17 HD2 TYR 17 5.481 -1.028 -0.019 139 HD2 TYR 17 HD1 TYR 17 3.296 -1.231 -3.723 140 HE1 TYR 17 HE2 TYR 17 6.661 -3.149 -0.615 141 HE2 TYR 17 HE1 TYR 17 4.495 -3.319 -4.324 142 HH TYR 17 HH TYR 17 6.962 -4.770 -2.204 143 H TYR 18 H TYR 18 1.188 -0.239 -2.723 144 HA TYR 18 HA TYR 18 0.067 -2.795 -1.739 145 HB2 TYR 18 HB2 TYR 18 -1.316 -0.655 -3.357 146 HB3 TYR 18 HB3 TYR 18 -1.991 -2.215 -2.875 147 HD1 TYR 18 HD1 TYR 18 -0.873 1.103 -1.674 148 HD2 TYR 18 HD2 TYR 18 -2.637 -2.656 -0.506 149 HE1 TYR 18 HE1 TYR 18 -1.323 2.028 0.573 150 HE2 TYR 18 HE2 TYR 18 -3.084 -1.732 1.739 151 HH TYR 18 HH TYR 18 -2.121 1.559 2.692 152 H PHE 19 H PHE 19 0.374 -4.480 -2.972 153 HA PHE 19 HA PHE 19 1.904 -4.238 -5.514 154 HB2 PHE 19 HB2 PHE 19 3.174 -5.053 -3.605 155 HB3 PHE 19 HB3 PHE 19 1.900 -6.165 -3.183 156 HD1 PHE 19 HD1 PHE 19 4.555 -5.460 -5.710 157 HD2 PHE 19 HD2 PHE 19 1.750 -8.368 -4.175 158 HE1 PHE 19 HE1 PHE 19 5.694 -7.243 -6.991 159 HE2 PHE 19 HE2 PHE 19 2.915 -10.148 -5.445 160 HZ PHE 19 HZ PHE 19 4.869 -9.590 -6.875 161 H ASN 20 H ASN 20 0.979 -5.068 -7.291 162 HA ASN 20 HA ASN 20 -1.479 -6.636 -7.138 163 HB2 ASN 20 HB2 ASN 20 -1.097 -4.868 -8.867 164 HB3 ASN 20 HB3 ASN 20 0.169 -5.867 -9.551 165 HD21 ASN 20 HD22 ASN 20 -3.355 -5.635 -8.959 166 HD22 ASN 20 HD21 ASN 20 -3.785 -6.971 -9.985 167 H HIS 21 H HIS 21 -1.133 -8.691 -6.355 168 HA HIS 21 HA HIS 21 1.277 -10.174 -7.034 169 HB2 HIS 21 HB2 HIS 21 0.351 -11.899 -5.590 170 HB3 HIS 21 HB3 HIS 21 0.306 -10.325 -4.832 171 HD1 HIS 21 HD1 HIS 21 -1.991 -9.659 -3.806 172 HD2 HIS 21 HD2 HIS 21 -2.218 -12.628 -6.784 173 HE1 HIS 21 HE1 HIS 21 -4.415 -10.457 -3.860 174 H ILE 22 H ILE 22 -1.180 -9.530 -9.100 175 HA ILE 22 HA ILE 22 -1.121 -12.222 -10.374 176 HB ILE 22 HB ILE 22 -2.807 -9.762 -10.978 177 HG12 ILE 22 HG12 ILE 22 -3.532 -12.412 -9.644 178 HG13 ILE 22 HG13 ILE 22 -3.404 -10.854 -8.832 179 HG21 ILE 22 HG21 ILE 22 -2.432 -11.064 -13.033 180 HG22 ILE 22 HG22 ILE 22 -2.915 -12.556 -12.197 181 HG23 ILE 22 HG23 ILE 22 -4.085 -11.252 -12.504 182 HD11 ILE 22 HD11 ILE 22 -5.275 -9.992 -10.297 183 HD12 ILE 22 HD12 ILE 22 -5.522 -11.674 -10.837 184 HD13 ILE 22 HD13 ILE 22 -5.711 -11.258 -9.130 185 H THR 23 H THR 23 0.320 -9.060 -10.526 186 HA THR 23 HA THR 23 1.595 -9.697 -13.177 187 HB THR 23 HB THR 23 1.479 -7.280 -13.672 188 HG1 THR 23 HG1 THR 23 -0.262 -7.148 -11.448 189 HG21 THR 23 HG21 THR 23 -0.895 -7.078 -14.158 190 HG22 THR 23 HG22 THR 23 -0.348 -8.728 -14.513 191 HG23 THR 23 HG23 THR 23 -1.287 -8.403 -13.043 192 H ASN 24 H ASN 24 2.139 -8.536 -9.922 193 HA ASN 24 HA ASN 24 3.905 -8.050 -8.760 194 HB2 ASN 24 HB2 ASN 24 5.736 -8.026 -11.177 195 HB3 ASN 24 HB3 ASN 24 6.191 -8.051 -9.486 196 HD21 ASN 24 HD22 ASN 24 4.896 -9.954 -12.121 197 HD22 ASN 24 HD21 ASN 24 5.210 -11.522 -11.347 198 H ALA 25 H ALA 25 2.246 -6.075 -10.743 199 HA ALA 25 HA ALA 25 3.876 -3.715 -10.749 200 HB1 ALA 25 HB1 ALA 25 0.838 -3.970 -10.696 201 HB2 ALA 25 HB2 ALA 25 1.775 -2.553 -11.209 202 HB3 ALA 25 HB3 ALA 25 1.852 -4.053 -12.152 203 H SER 26 H SER 26 3.656 -1.776 -9.401 204 HA SER 26 HA SER 26 2.788 -2.251 -6.588 205 HB2 SER 26 HB2 SER 26 4.872 -1.252 -5.836 206 HB3 SER 26 HB3 SER 26 5.214 -2.717 -6.789 207 HG SER 26 HG SER 26 5.098 -0.160 -7.995 208 H GLN 27 H GLN 27 1.700 -0.543 -5.709 209 HA GLN 27 HA GLN 27 2.159 2.191 -6.676 210 HB2 GLN 27 HB2 GLN 27 0.543 1.104 -8.278 211 HB3 GLN 27 HB3 GLN 27 -0.559 0.811 -6.938 212 HG2 GLN 27 HG2 GLN 27 -1.137 2.762 -8.405 213 HG3 GLN 27 HG3 GLN 27 -1.008 3.168 -6.706 214 HE21 GLN 27 HE22 GLN 27 0.493 3.662 -9.924 215 HE22 GLN 27 HE21 GLN 27 1.581 4.896 -9.309 216 H PHE 28 H PHE 28 1.056 3.812 -5.356 217 HA PHE 28 HA PHE 28 0.762 2.947 -2.551 218 HB2 PHE 28 HB2 PHE 28 0.958 5.698 -3.803 219 HB3 PHE 28 HB3 PHE 28 0.935 5.350 -2.075 220 HD1 PHE 28 HD2 PHE 28 2.748 3.676 -1.157 221 HD2 PHE 28 HD1 PHE 28 3.046 5.687 -4.967 222 HE1 PHE 28 HE2 PHE 28 5.187 3.300 -1.164 223 HE2 PHE 28 HE1 PHE 28 5.496 5.281 -4.978 224 HZ PHE 28 HZ PHE 28 6.573 4.091 -3.077 225 H GLU 29 H GLU 29 -1.466 3.136 -5.009 226 HA GLU 29 HA GLU 29 -3.649 4.463 -3.719 227 HB2 GLU 29 HB2 GLU 29 -3.870 4.043 -6.052 228 HB3 GLU 29 HB3 GLU 29 -3.506 2.330 -5.867 229 HG2 GLU 29 HG2 GLU 29 -5.869 2.715 -6.383 230 HG3 GLU 29 HG3 GLU 29 -5.652 1.881 -4.855 231 H ARG 30 H ARG 30 -5.207 3.704 -2.348 232 HA ARG 30 HA ARG 30 -4.449 1.267 -0.851 233 HB2 ARG 30 HB2 ARG 30 -4.480 2.360 1.179 234 HB3 ARG 30 HB3 ARG 30 -3.640 3.439 0.105 235 HG2 ARG 30 HG2 ARG 30 -6.548 3.770 0.979 236 HG3 ARG 30 HG3 ARG 30 -5.166 4.481 1.768 237 HD2 ARG 30 HD2 ARG 30 -6.019 6.230 0.517 238 HD3 ARG 30 HD3 ARG 30 -4.603 5.690 -0.379 239 HE ARG 30 HE ARG 30 -6.026 5.358 -2.218 240 HH11 ARG 30 HH21 ARG 30 -8.260 4.624 0.452 241 HH12 ARG 30 HH22 ARG 30 -9.548 4.764 -0.754 242 HH21 ARG 30 HH11 ARG 30 -7.710 5.077 -3.398 243 HH22 ARG 30 HH12 ARG 30 -9.315 5.093 -2.609 244 HA PRO 31 HA PRO 31 -8.619 -0.254 -0.306 245 HB2 PRO 31 HB2 PRO 31 -7.973 -0.358 2.636 246 HB3 PRO 31 HB3 PRO 31 -8.650 -1.639 1.584 247 HG2 PRO 31 HG2 PRO 31 -6.032 -1.689 2.333 248 HG3 PRO 31 HG3 PRO 31 -6.503 -2.111 0.665 249 HD2 PRO 31 HD2 PRO 31 -5.425 0.493 1.721 250 HD3 PRO 31 HD3 PRO 31 -4.992 -0.401 0.230 251 H SER 32 H SER 32 -10.521 -0.045 1.340 252 HA SER 32 HA SER 32 -12.090 0.974 2.514 253 HB2 SER 32 HB2 SER 32 -11.883 3.020 3.725 254 HB3 SER 32 HB3 SER 32 -10.451 2.012 3.968 255 HG SER 32 HG SER 32 -9.478 3.278 2.240 256 H GLY 33 H GLY 33 -11.198 4.083 1.145 257 HA2 GLY 33 HA2 GLY 33 -13.612 4.192 -0.563 258 HA3 GLY 33 HA3 GLY 33 -12.405 5.462 -0.341 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -9.303 4.286 -5.170 2 H2 LYS 1 H2 LYS 1 -7.999 3.597 -5.914 3 H3 LYS 1 H3 LYS 1 -8.162 3.417 -4.351 4 HA LYS 1 HA LYS 1 -10.210 2.142 -4.623 5 HB2 LYS 1 HB2 LYS 1 -11.139 1.583 -6.657 6 HB3 LYS 1 HB3 LYS 1 -10.810 3.294 -6.825 7 HG2 LYS 1 HG2 LYS 1 -9.057 1.063 -7.984 8 HG3 LYS 1 HG3 LYS 1 -10.371 1.815 -8.837 9 HD2 LYS 1 HD2 LYS 1 -9.212 3.622 -9.431 10 HD3 LYS 1 HD3 LYS 1 -8.465 3.854 -7.863 11 HE2 LYS 1 HE2 LYS 1 -7.585 1.679 -9.814 12 HE3 LYS 1 HE3 LYS 1 -6.900 3.313 -9.809 13 HZ1 LYS 1 HZ1 LYS 1 -6.211 3.005 -7.520 14 HZ2 LYS 1 HZ2 LYS 1 -6.872 1.539 -7.428 15 HZ3 LYS 1 HZ3 LYS 1 -5.575 1.745 -8.402 16 H LEU 2 H LEU 2 -10.199 -0.198 -4.828 17 HA LEU 2 HA LEU 2 -7.492 -1.320 -5.270 18 HB2 LEU 2 HB2 LEU 2 -8.625 -1.575 -3.025 19 HB3 LEU 2 HB3 LEU 2 -9.907 -2.476 -3.821 20 HG LEU 2 HG LEU 2 -8.251 -4.209 -4.521 21 HD11 LEU 2 HD11 LEU 2 -5.998 -4.148 -3.464 22 HD12 LEU 2 HD12 LEU 2 -6.197 -2.879 -4.668 23 HD13 LEU 2 HD13 LEU 2 -6.314 -2.477 -2.942 24 HD21 LEU 2 HD21 LEU 2 -7.812 -5.127 -2.291 25 HD22 LEU 2 HD22 LEU 2 -8.123 -3.545 -1.547 26 HD23 LEU 2 HD23 LEU 2 -9.442 -4.432 -2.355 27 HA PRO 3 HA PRO 3 -9.712 -3.357 -8.705 28 HB2 PRO 3 HB2 PRO 3 -7.165 -3.809 -10.054 29 HB3 PRO 3 HB3 PRO 3 -8.503 -2.745 -10.530 30 HG2 PRO 3 HG2 PRO 3 -6.032 -1.793 -9.660 31 HG3 PRO 3 HG3 PRO 3 -7.574 -0.898 -9.509 32 HD2 PRO 3 HD2 PRO 3 -6.179 -2.572 -7.412 33 HD3 PRO 3 HD3 PRO 3 -6.924 -0.957 -7.277 34 HA PRO 4 HA PRO 4 -9.123 -7.723 -7.975 35 HB2 PRO 4 HB2 PRO 4 -8.538 -8.077 -10.921 36 HB3 PRO 4 HB3 PRO 4 -9.641 -9.019 -9.869 37 HG2 PRO 4 HG2 PRO 4 -10.635 -7.128 -11.528 38 HG3 PRO 4 HG3 PRO 4 -11.246 -7.244 -9.844 39 HD2 PRO 4 HD2 PRO 4 -9.202 -5.321 -10.976 40 HD3 PRO 4 HD3 PRO 4 -10.572 -5.000 -9.868 41 H GLY 5 H GLY 5 -7.468 -8.910 -7.155 42 HA2 GLY 5 HA2 GLY 5 -5.466 -10.022 -7.009 43 HA3 GLY 5 HA3 GLY 5 -5.017 -9.407 -8.603 44 H TRP 6 H TRP 6 -5.768 -6.680 -6.785 45 HA TRP 6 HA TRP 6 -2.935 -6.132 -6.143 46 HB2 TRP 6 HB2 TRP 6 -5.444 -4.452 -6.114 47 HB3 TRP 6 HB3 TRP 6 -3.849 -3.871 -5.644 48 HD1 TRP 6 HD1 TRP 6 -5.779 -5.075 -8.718 49 HE1 TRP 6 HE1 TRP 6 -4.687 -4.147 -10.852 50 HE3 TRP 6 HE3 TRP 6 -1.517 -3.224 -6.653 51 HZ2 TRP 6 HZ2 TRP 6 -2.265 -2.753 -11.558 52 HZ3 TRP 6 HZ3 TRP 6 0.234 -2.280 -8.088 53 HH2 TRP 6 HH2 TRP 6 -0.138 -1.943 -10.524 54 H GLU 7 H GLU 7 -2.106 -6.037 -4.112 55 HA GLU 7 HA GLU 7 -3.929 -6.499 -1.794 56 HB2 GLU 7 HB2 GLU 7 -2.996 -8.528 -3.123 57 HB3 GLU 7 HB3 GLU 7 -1.417 -8.035 -2.531 58 HG2 GLU 7 HG2 GLU 7 -2.998 -8.161 -0.215 59 HG3 GLU 7 HG3 GLU 7 -3.642 -9.473 -1.199 60 H LYS 8 H LYS 8 -3.218 -5.606 0.166 61 HA LYS 8 HA LYS 8 -1.313 -3.626 0.200 62 HB2 LYS 8 HB2 LYS 8 -1.851 -3.191 2.317 63 HB3 LYS 8 HB3 LYS 8 -3.290 -4.015 1.785 64 HG2 LYS 8 HG2 LYS 8 -1.141 -5.402 3.463 65 HG3 LYS 8 HG3 LYS 8 -2.370 -4.380 4.139 66 HD2 LYS 8 HD2 LYS 8 -3.102 -6.594 4.442 67 HD3 LYS 8 HD3 LYS 8 -4.165 -5.806 3.291 68 HE2 LYS 8 HE2 LYS 8 -3.769 -8.114 2.643 69 HE3 LYS 8 HE3 LYS 8 -3.103 -7.015 1.438 70 HZ1 LYS 8 HZ1 LYS 8 -1.515 -8.430 3.502 71 HZ2 LYS 8 HZ2 LYS 8 -1.547 -8.773 1.871 72 HZ3 LYS 8 HZ3 LYS 8 -0.922 -7.367 2.364 73 H ARG 9 H ARG 9 0.810 -3.484 0.288 74 HA ARG 9 HA ARG 9 2.479 -5.654 1.426 75 HB2 ARG 9 HB2 ARG 9 1.937 -5.624 -1.108 76 HB3 ARG 9 HB3 ARG 9 2.791 -4.092 -1.182 77 HG2 ARG 9 HG2 ARG 9 4.236 -5.744 -1.915 78 HG3 ARG 9 HG3 ARG 9 4.851 -5.289 -0.330 79 HD2 ARG 9 HD2 ARG 9 5.014 -7.656 -0.436 80 HD3 ARG 9 HD3 ARG 9 3.637 -7.350 0.607 81 HE ARG 9 HE ARG 9 3.606 -8.363 -2.203 82 HH11 ARG 9 HH11 ARG 9 1.415 -7.547 0.506 83 HH12 ARG 9 HH12 ARG 9 0.418 -8.931 0.146 84 HH21 ARG 9 HH22 ARG 9 2.076 -9.926 -2.675 85 HH22 ARG 9 HH21 ARG 9 0.602 -9.997 -1.719 86 H MET 10 H MET 10 4.540 -5.006 2.165 87 HA MET 10 HA MET 10 4.613 -2.236 3.127 88 HB2 MET 10 HB2 MET 10 6.185 -4.747 3.832 89 HB3 MET 10 HB3 MET 10 6.515 -3.147 4.505 90 HG2 MET 10 HG2 MET 10 5.161 -4.280 6.084 91 HG3 MET 10 HG3 MET 10 4.181 -3.018 5.348 92 HE1 MET 10 HE1 MET 10 1.466 -5.646 6.213 93 HE2 MET 10 HE2 MET 10 2.885 -5.161 7.168 94 HE3 MET 10 HE3 MET 10 1.949 -3.936 6.276 95 H PHE 11 H PHE 11 5.867 -0.695 2.371 96 HA PHE 11 HA PHE 11 8.012 -1.237 0.403 97 HB2 PHE 11 HB2 PHE 11 6.295 0.552 -0.016 98 HB3 PHE 11 HB3 PHE 11 6.840 1.374 1.432 99 HD1 PHE 11 HD2 PHE 11 8.251 -0.107 -1.744 100 HD2 PHE 11 HD1 PHE 11 8.382 3.146 1.093 101 HE1 PHE 11 HE2 PHE 11 9.954 1.045 -3.134 102 HE2 PHE 11 HE1 PHE 11 10.055 4.305 -0.330 103 HZ PHE 11 HZ PHE 11 10.852 3.251 -2.427 104 H ALA 12 H ALA 12 10.009 -1.562 1.204 105 HA ALA 12 HA ALA 12 10.606 -1.673 3.881 106 HB1 ALA 12 HB1 ALA 12 11.729 -2.922 2.083 107 HB2 ALA 12 HB2 ALA 12 12.517 -1.426 1.522 108 HB3 ALA 12 HB3 ALA 12 12.906 -2.097 3.120 109 H ASN 13 H ASN 13 10.747 1.298 2.035 110 HA ASN 13 HA ASN 13 12.594 2.646 3.833 111 HB2 ASN 13 HB2 ASN 13 11.850 3.164 1.329 112 HB3 ASN 13 HB3 ASN 13 10.568 4.085 2.127 113 HD21 ASN 13 HD22 ASN 13 11.880 5.318 4.262 114 HD22 ASN 13 HD21 ASN 13 13.162 6.331 3.566 115 H GLY 14 H GLY 14 9.404 1.536 4.314 116 HA2 GLY 14 HA2 GLY 14 8.370 1.767 6.459 117 HA3 GLY 14 HA3 GLY 14 8.985 3.418 6.601 118 H THR 15 H THR 15 6.898 1.448 4.362 119 HA THR 15 HA THR 15 4.652 3.270 4.696 120 HB THR 15 HB THR 15 6.436 3.378 2.272 121 HG1 THR 15 HG1 THR 15 6.197 4.886 4.116 122 HG21 THR 15 HG21 THR 15 4.737 4.541 0.949 123 HG22 THR 15 HG22 THR 15 4.329 2.838 1.149 124 HG23 THR 15 HG23 THR 15 3.481 4.084 2.113 125 H VAL 16 H VAL 16 2.738 2.471 3.349 126 HA VAL 16 HA VAL 16 3.009 -0.373 2.559 127 HB VAL 16 HB VAL 16 0.889 0.863 4.295 128 HG11 VAL 16 HG11 VAL 16 -0.469 0.004 2.421 129 HG12 VAL 16 HG12 VAL 16 0.409 -1.542 2.471 130 HG13 VAL 16 HG13 VAL 16 -0.628 -1.045 3.825 131 HG21 VAL 16 HG21 VAL 16 2.225 -1.875 4.140 132 HG22 VAL 16 HG22 VAL 16 2.740 -0.552 5.214 133 HG23 VAL 16 HG23 VAL 16 1.152 -1.310 5.444 134 H TYR 17 H TYR 17 2.204 -0.926 0.714 135 HA TYR 17 HA TYR 17 0.799 1.035 -1.011 136 HB2 TYR 17 HB2 TYR 17 2.364 0.877 -2.743 137 HB3 TYR 17 HB3 TYR 17 3.336 1.101 -1.317 138 HD1 TYR 17 HD1 TYR 17 4.590 -0.864 -0.325 139 HD2 TYR 17 HD2 TYR 17 2.520 -1.169 -4.088 140 HE1 TYR 17 HE1 TYR 17 6.040 -2.781 -0.964 141 HE2 TYR 17 HE2 TYR 17 3.961 -3.085 -4.728 142 HH TYR 17 HH TYR 17 6.596 -4.257 -2.633 143 H TYR 18 H TYR 18 0.307 -0.268 -3.209 144 HA TYR 18 HA TYR 18 -0.777 -2.915 -2.415 145 HB2 TYR 18 HB2 TYR 18 -1.950 -0.663 -4.033 146 HB3 TYR 18 HB3 TYR 18 -2.474 -2.335 -4.276 147 HD1 TYR 18 HD2 TYR 18 -1.918 0.222 -1.559 148 HD2 TYR 18 HD1 TYR 18 -3.987 -3.365 -2.779 149 HE1 TYR 18 HE2 TYR 18 -2.871 -0.021 0.705 150 HE2 TYR 18 HE1 TYR 18 -5.177 -3.418 -0.596 151 HH TYR 18 HH TYR 18 -4.360 -1.066 2.044 152 H PHE 19 H PHE 19 -0.050 -4.598 -3.300 153 HA PHE 19 HA PHE 19 1.680 -4.444 -5.723 154 HB2 PHE 19 HB2 PHE 19 2.791 -5.062 -3.674 155 HB3 PHE 19 HB3 PHE 19 1.536 -6.203 -3.260 156 HD1 PHE 19 HD2 PHE 19 1.352 -8.406 -4.474 157 HD2 PHE 19 HD1 PHE 19 4.605 -5.649 -5.165 158 HE1 PHE 19 HE2 PHE 19 2.721 -10.240 -5.463 159 HE2 PHE 19 HE1 PHE 19 5.931 -7.479 -6.169 160 HZ PHE 19 HZ PHE 19 4.968 -9.759 -6.377 161 H ASN 20 H ASN 20 0.898 -5.392 -7.540 162 HA ASN 20 HA ASN 20 -1.566 -6.972 -7.417 163 HB2 ASN 20 HB2 ASN 20 -1.152 -5.324 -9.226 164 HB3 ASN 20 HB3 ASN 20 0.201 -6.298 -9.771 165 HD21 ASN 20 HD22 ASN 20 -3.380 -6.162 -9.484 166 HD22 ASN 20 HD21 ASN 20 -3.640 -7.568 -10.480 167 H HIS 21 H HIS 21 -1.289 -8.969 -6.488 168 HA HIS 21 HA HIS 21 1.165 -10.458 -6.936 169 HB2 HIS 21 HB2 HIS 21 0.182 -12.149 -5.466 170 HB3 HIS 21 HB3 HIS 21 0.210 -10.542 -4.785 171 HD1 HIS 21 HD1 HIS 21 -1.709 -10.854 -3.057 172 HD2 HIS 21 HD2 HIS 21 -2.719 -11.821 -7.055 173 HE1 HIS 21 HE1 HIS 21 -4.246 -11.197 -3.143 174 H ILE 22 H ILE 22 -1.038 -9.965 -9.217 175 HA ILE 22 HA ILE 22 -0.798 -12.711 -10.349 176 HB ILE 22 HB ILE 22 -2.413 -10.351 -11.392 177 HG12 ILE 22 HG12 ILE 22 -3.339 -12.727 -9.718 178 HG13 ILE 22 HG13 ILE 22 -3.298 -11.041 -9.201 179 HG21 ILE 22 HG21 ILE 22 -2.472 -13.308 -12.137 180 HG22 ILE 22 HG22 ILE 22 -3.533 -12.046 -12.805 181 HG23 ILE 22 HG23 ILE 22 -1.823 -11.994 -13.142 182 HD11 ILE 22 HD11 ILE 22 -5.554 -11.556 -9.696 183 HD12 ILE 22 HD12 ILE 22 -4.971 -10.472 -10.975 184 HD13 ILE 22 HD13 ILE 22 -5.156 -12.221 -11.280 185 H THR 23 H THR 23 0.581 -9.498 -10.465 186 HA THR 23 HA THR 23 2.151 -10.194 -12.931 187 HB THR 23 HB THR 23 1.847 -7.869 -13.686 188 HG1 THR 23 HG1 THR 23 -0.073 -7.684 -11.621 189 HG21 THR 23 HG21 THR 23 -0.464 -7.919 -14.388 190 HG22 THR 23 HG22 THR 23 0.214 -9.555 -14.498 191 HG23 THR 23 HG23 THR 23 -0.877 -9.134 -13.162 192 H ASN 24 H ASN 24 2.421 -9.000 -9.682 193 HA ASN 24 HA ASN 24 4.026 -8.067 -8.514 194 HB2 ASN 24 HB2 ASN 24 5.472 -9.670 -9.991 195 HB3 ASN 24 HB3 ASN 24 6.012 -8.198 -10.791 196 HD21 ASN 24 HD22 ASN 24 6.645 -6.414 -8.971 197 HD22 ASN 24 HD21 ASN 24 7.845 -7.102 -7.853 198 H ALA 25 H ALA 25 2.343 -6.472 -10.801 199 HA ALA 25 HA ALA 25 3.811 -4.001 -10.973 200 HB1 ALA 25 HB1 ALA 25 1.949 -4.655 -12.479 201 HB2 ALA 25 HB2 ALA 25 0.810 -4.500 -11.125 202 HB3 ALA 25 HB3 ALA 25 1.684 -3.075 -11.724 203 H SER 26 H SER 26 3.224 -1.930 -9.907 204 HA SER 26 HA SER 26 2.436 -2.255 -7.047 205 HB2 SER 26 HB2 SER 26 4.257 -0.770 -6.471 206 HB3 SER 26 HB3 SER 26 4.885 -2.208 -7.310 207 HG SER 26 HG SER 26 4.205 0.161 -8.709 208 H GLN 27 H GLN 27 1.007 -0.867 -6.312 209 HA GLN 27 HA GLN 27 0.480 1.760 -7.628 210 HB2 GLN 27 HB2 GLN 27 -1.363 0.233 -8.047 211 HB3 GLN 27 HB3 GLN 27 -1.371 -0.317 -6.370 212 HG2 GLN 27 HG2 GLN 27 -2.065 1.966 -5.643 213 HG3 GLN 27 HG3 GLN 27 -2.139 2.468 -7.333 214 HE21 GLN 27 HE22 GLN 27 -4.081 1.678 -4.801 215 HE22 GLN 27 HE21 GLN 27 -5.431 0.962 -5.661 216 H PHE 28 H PHE 28 1.175 3.396 -6.268 217 HA PHE 28 HA PHE 28 1.281 2.911 -3.354 218 HB2 PHE 28 HB2 PHE 28 2.307 5.113 -5.149 219 HB3 PHE 28 HB3 PHE 28 2.274 5.260 -3.394 220 HD1 PHE 28 HD1 PHE 28 3.556 3.732 -1.931 221 HD2 PHE 28 HD2 PHE 28 3.927 3.556 -6.224 222 HE1 PHE 28 HE1 PHE 28 5.666 2.443 -1.699 223 HE2 PHE 28 HE2 PHE 28 6.008 2.223 -5.984 224 HZ PHE 28 HZ PHE 28 6.884 1.679 -3.716 225 H GLU 29 H GLU 29 -1.117 3.977 -5.478 226 HA GLU 29 HA GLU 29 -2.457 5.832 -3.688 227 HB2 GLU 29 HB2 GLU 29 -2.910 5.798 -6.079 228 HB3 GLU 29 HB3 GLU 29 -3.490 4.138 -6.011 229 HG2 GLU 29 HG2 GLU 29 -4.821 6.130 -4.181 230 HG3 GLU 29 HG3 GLU 29 -5.084 6.335 -5.907 231 H ARG 30 H ARG 30 -2.933 5.177 -1.698 232 HA ARG 30 HA ARG 30 -3.482 2.395 -1.072 233 HB2 ARG 30 HB2 ARG 30 -1.823 3.645 0.143 234 HB3 ARG 30 HB3 ARG 30 -3.010 4.853 0.654 235 HG2 ARG 30 HG2 ARG 30 -4.117 3.322 2.109 236 HG3 ARG 30 HG3 ARG 30 -3.399 1.920 1.313 237 HD2 ARG 30 HD2 ARG 30 -1.134 2.668 2.117 238 HD3 ARG 30 HD3 ARG 30 -1.948 3.969 3.013 239 HE ARG 30 HE ARG 30 -2.913 1.217 3.543 240 HH11 ARG 30 HH21 ARG 30 -0.662 3.683 4.591 241 HH12 ARG 30 HH22 ARG 30 -0.519 3.034 6.212 242 HH21 ARG 30 HH11 ARG 30 -2.760 0.451 5.609 243 HH22 ARG 30 HH12 ARG 30 -1.687 1.191 6.784 244 HA PRO 31 HA PRO 31 -7.942 3.463 -0.890 245 HB2 PRO 31 HB2 PRO 31 -8.970 0.962 -1.067 246 HB3 PRO 31 HB3 PRO 31 -8.163 1.766 -2.444 247 HG2 PRO 31 HG2 PRO 31 -6.929 -0.217 -0.497 248 HG3 PRO 31 HG3 PRO 31 -6.890 -0.285 -2.289 249 HD2 PRO 31 HD2 PRO 31 -4.896 0.807 -0.796 250 HD3 PRO 31 HD3 PRO 31 -5.297 1.397 -2.429 251 H SER 32 H SER 32 -6.705 3.982 1.264 252 HA SER 32 HA SER 32 -6.661 4.204 3.490 253 HB2 SER 32 HB2 SER 32 -8.559 3.679 4.869 254 HB3 SER 32 HB3 SER 32 -9.090 4.349 3.319 255 HG SER 32 HG SER 32 -9.183 1.955 2.710 256 H GLY 33 H GLY 33 -7.251 0.800 2.715 257 HA2 GLY 33 HA2 GLY 33 -6.355 -0.353 5.152 258 HA3 GLY 33 HA3 GLY 33 -6.400 -1.174 3.585 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -11.251 -1.237 -0.230 2 H2 LYS 1 H2 LYS 1 -12.765 -1.434 0.357 3 H3 LYS 1 H3 LYS 1 -12.538 -0.899 -1.199 4 HA LYS 1 HA LYS 1 -11.852 -3.559 -0.137 5 HB2 LYS 1 HB2 LYS 1 -14.275 -3.301 -0.653 6 HB3 LYS 1 HB3 LYS 1 -13.865 -2.744 -2.272 7 HG2 LYS 1 HG2 LYS 1 -12.501 -5.159 -2.224 8 HG3 LYS 1 HG3 LYS 1 -13.772 -5.501 -1.080 9 HD2 LYS 1 HD2 LYS 1 -14.303 -6.252 -3.349 10 HD3 LYS 1 HD3 LYS 1 -15.475 -5.077 -2.769 11 HE2 LYS 1 HE2 LYS 1 -14.826 -4.853 -5.180 12 HE3 LYS 1 HE3 LYS 1 -14.678 -3.376 -4.234 13 HZ1 LYS 1 HZ1 LYS 1 -12.330 -3.563 -4.229 14 HZ2 LYS 1 HZ2 LYS 1 -12.307 -5.100 -4.738 15 HZ3 LYS 1 HZ3 LYS 1 -12.774 -3.901 -5.766 16 H LEU 2 H LEU 2 -9.864 -3.953 -0.813 17 HA LEU 2 HA LEU 2 -8.323 -3.072 -2.702 18 HB2 LEU 2 HB2 LEU 2 -8.556 -6.063 -2.254 19 HB3 LEU 2 HB3 LEU 2 -7.144 -5.211 -2.868 20 HG LEU 2 HG LEU 2 -8.318 -4.998 -0.066 21 HD11 LEU 2 HD11 LEU 2 -5.651 -6.070 -1.038 22 HD12 LEU 2 HD12 LEU 2 -6.229 -6.041 0.639 23 HD13 LEU 2 HD13 LEU 2 -7.035 -7.067 -0.559 24 HD21 LEU 2 HD21 LEU 2 -5.865 -3.602 -1.230 25 HD22 LEU 2 HD22 LEU 2 -7.367 -2.803 -0.720 26 HD23 LEU 2 HD23 LEU 2 -6.369 -3.602 0.486 27 HA PRO 3 HA PRO 3 -10.101 -3.879 -6.749 28 HB2 PRO 3 HB2 PRO 3 -7.934 -3.026 -8.305 29 HB3 PRO 3 HB3 PRO 3 -9.196 -1.988 -7.589 30 HG2 PRO 3 HG2 PRO 3 -6.405 -2.490 -6.616 31 HG3 PRO 3 HG3 PRO 3 -7.366 -0.995 -6.547 32 HD2 PRO 3 HD2 PRO 3 -6.986 -2.739 -4.426 33 HD3 PRO 3 HD3 PRO 3 -8.394 -1.648 -4.581 34 HA PRO 4 HA PRO 4 -9.164 -7.814 -8.256 35 HB2 PRO 4 HB2 PRO 4 -8.285 -6.643 -10.908 36 HB3 PRO 4 HB3 PRO 4 -9.316 -8.077 -10.593 37 HG2 PRO 4 HG2 PRO 4 -10.466 -5.706 -11.168 38 HG3 PRO 4 HG3 PRO 4 -11.113 -6.693 -9.816 39 HD2 PRO 4 HD2 PRO 4 -9.291 -4.291 -9.696 40 HD3 PRO 4 HD3 PRO 4 -10.692 -4.703 -8.662 41 H GLY 5 H GLY 5 -7.552 -8.766 -7.150 42 HA2 GLY 5 HA2 GLY 5 -5.588 -9.954 -7.012 43 HA3 GLY 5 HA3 GLY 5 -5.022 -9.201 -8.507 44 H TRP 6 H TRP 6 -5.953 -6.795 -6.158 45 HA TRP 6 HA TRP 6 -3.083 -6.231 -5.703 46 HB2 TRP 6 HB2 TRP 6 -5.592 -4.617 -5.260 47 HB3 TRP 6 HB3 TRP 6 -3.978 -4.086 -4.806 48 HD1 TRP 6 HD1 TRP 6 -6.041 -4.874 -7.945 49 HE1 TRP 6 HE1 TRP 6 -5.012 -3.680 -9.968 50 HE3 TRP 6 HE3 TRP 6 -1.745 -3.186 -5.768 51 HZ2 TRP 6 HZ2 TRP 6 -2.546 -2.339 -10.611 52 HZ3 TRP 6 HZ3 TRP 6 -0.062 -1.988 -7.118 53 HH2 TRP 6 HH2 TRP 6 -0.420 -1.593 -9.545 54 H GLU 7 H GLU 7 -2.106 -5.949 -3.727 55 HA GLU 7 HA GLU 7 -3.519 -6.690 -1.226 56 HB2 GLU 7 HB2 GLU 7 -1.555 -8.287 -2.763 57 HB3 GLU 7 HB3 GLU 7 -0.983 -7.935 -1.151 58 HG2 GLU 7 HG2 GLU 7 -3.721 -9.145 -1.705 59 HG3 GLU 7 HG3 GLU 7 -2.260 -10.087 -1.390 60 H LYS 8 H LYS 8 -2.662 -5.739 0.614 61 HA LYS 8 HA LYS 8 -0.903 -3.479 0.419 62 HB2 LYS 8 HB2 LYS 8 -1.235 -3.206 2.742 63 HB3 LYS 8 HB3 LYS 8 -2.775 -3.691 2.067 64 HG2 LYS 8 HG2 LYS 8 -0.890 -5.400 3.735 65 HG3 LYS 8 HG3 LYS 8 -2.450 -4.731 4.217 66 HD2 LYS 8 HD2 LYS 8 -3.536 -6.122 2.403 67 HD3 LYS 8 HD3 LYS 8 -1.961 -6.897 2.147 68 HE2 LYS 8 HE2 LYS 8 -2.002 -7.669 4.525 69 HE3 LYS 8 HE3 LYS 8 -3.658 -7.030 4.641 70 HZ1 LYS 8 HZ1 LYS 8 -3.852 -9.327 3.951 71 HZ2 LYS 8 HZ2 LYS 8 -4.064 -8.423 2.544 72 HZ3 LYS 8 HZ3 LYS 8 -2.704 -9.131 2.745 73 H ARG 9 H ARG 9 1.208 -3.305 0.748 74 HA ARG 9 HA ARG 9 2.800 -5.475 2.051 75 HB2 ARG 9 HB2 ARG 9 3.321 -4.337 -0.728 76 HB3 ARG 9 HB3 ARG 9 4.489 -5.321 0.157 77 HG2 ARG 9 HG2 ARG 9 1.758 -6.232 -0.813 78 HG3 ARG 9 HG3 ARG 9 3.303 -6.578 -1.573 79 HD2 ARG 9 HD2 ARG 9 4.068 -7.881 0.319 80 HD3 ARG 9 HD3 ARG 9 2.638 -7.479 1.259 81 HE ARG 9 HE ARG 9 2.789 -9.324 -1.065 82 HH11 ARG 9 HH21 ARG 9 0.624 -7.863 1.319 83 HH12 ARG 9 HH22 ARG 9 -0.545 -9.161 1.151 84 HH21 ARG 9 HH11 ARG 9 1.158 -10.944 -1.191 85 HH22 ARG 9 HH12 ARG 9 -0.240 -10.754 -0.151 86 H MET 10 H MET 10 5.081 -4.811 2.483 87 HA MET 10 HA MET 10 5.171 -1.952 3.305 88 HB2 MET 10 HB2 MET 10 6.514 -4.432 4.441 89 HB3 MET 10 HB3 MET 10 6.938 -2.781 4.890 90 HG2 MET 10 HG2 MET 10 5.455 -3.562 6.557 91 HG3 MET 10 HG3 MET 10 4.613 -2.352 5.607 92 HE1 MET 10 HE1 MET 10 3.677 -6.897 5.677 93 HE2 MET 10 HE2 MET 10 5.191 -6.286 4.976 94 HE3 MET 10 HE3 MET 10 4.864 -6.075 6.713 95 H PHE 11 H PHE 11 6.816 -0.639 2.696 96 HA PHE 11 HA PHE 11 8.704 -1.666 0.649 97 HB2 PHE 11 HB2 PHE 11 6.887 0.205 0.251 98 HB3 PHE 11 HB3 PHE 11 8.014 1.243 1.091 99 HD1 PHE 11 HD1 PHE 11 7.590 -1.054 -1.831 100 HD2 PHE 11 HD2 PHE 11 9.985 2.083 -0.092 101 HE1 PHE 11 HE1 PHE 11 8.825 -0.807 -3.964 102 HE2 PHE 11 HE2 PHE 11 11.212 2.326 -2.225 103 HZ PHE 11 HZ PHE 11 10.638 0.883 -4.166 104 H ALA 12 H ALA 12 10.848 -0.870 0.577 105 HA ALA 12 HA ALA 12 12.197 -1.249 2.966 106 HB1 ALA 12 HB1 ALA 12 14.200 -0.785 1.609 107 HB2 ALA 12 HB2 ALA 12 13.039 -1.782 0.715 108 HB3 ALA 12 HB3 ALA 12 13.191 -0.045 0.348 109 H ASN 13 H ASN 13 10.942 1.842 1.924 110 HA ASN 13 HA ASN 13 12.883 3.375 3.509 111 HB2 ASN 13 HB2 ASN 13 11.769 5.289 2.707 112 HB3 ASN 13 HB3 ASN 13 11.761 4.179 1.341 113 HD21 ASN 13 HD22 ASN 13 9.808 5.738 3.840 114 HD22 ASN 13 HD21 ASN 13 8.252 5.303 3.150 115 H GLY 14 H GLY 14 10.283 1.407 4.396 116 HA2 GLY 14 HA2 GLY 14 9.232 1.218 6.478 117 HA3 GLY 14 HA3 GLY 14 9.840 2.809 6.963 118 H THR 15 H THR 15 7.572 1.286 4.573 119 HA THR 15 HA THR 15 5.408 3.118 5.269 120 HB THR 15 HB THR 15 6.998 3.372 2.699 121 HG1 THR 15 HG1 THR 15 7.036 4.663 4.855 122 HG21 THR 15 HG21 THR 15 5.270 4.991 1.896 123 HG22 THR 15 HG22 THR 15 4.794 3.294 1.799 124 HG23 THR 15 HG23 THR 15 4.152 4.338 3.109 125 H VAL 16 H VAL 16 3.384 2.458 4.174 126 HA VAL 16 HA VAL 16 3.498 -0.302 3.074 127 HB VAL 16 HB VAL 16 1.336 1.259 4.469 128 HG11 VAL 16 HG11 VAL 16 0.137 0.416 2.483 129 HG12 VAL 16 HG12 VAL 16 0.833 -1.204 2.732 130 HG13 VAL 16 HG13 VAL 16 -0.299 -0.520 3.912 131 HG21 VAL 16 HG21 VAL 16 2.894 -0.266 5.703 132 HG22 VAL 16 HG22 VAL 16 1.225 -0.860 5.752 133 HG23 VAL 16 HG23 VAL 16 2.396 -1.597 4.632 134 H TYR 17 H TYR 17 2.711 -0.831 1.161 135 HA TYR 17 HA TYR 17 1.633 1.212 -0.691 136 HB2 TYR 17 HB2 TYR 17 3.192 0.807 -2.378 137 HB3 TYR 17 HB3 TYR 17 4.175 0.956 -0.956 138 HD1 TYR 17 HD1 TYR 17 5.063 -1.170 0.152 139 HD2 TYR 17 HD2 TYR 17 3.195 -1.230 -3.751 140 HE1 TYR 17 HE1 TYR 17 6.237 -3.296 -0.402 141 HE2 TYR 17 HE2 TYR 17 4.358 -3.335 -4.268 142 HH TYR 17 HH TYR 17 6.646 -4.871 -2.013 143 H TYR 18 H TYR 18 1.007 -0.106 -2.853 144 HA TYR 18 HA TYR 18 -0.210 -2.696 -2.024 145 HB2 TYR 18 HB2 TYR 18 -1.402 -0.435 -3.642 146 HB3 TYR 18 HB3 TYR 18 -2.030 -2.085 -3.686 147 HD1 TYR 18 HD1 TYR 18 -1.365 0.802 -1.438 148 HD2 TYR 18 HD2 TYR 18 -3.250 -3.055 -1.843 149 HE1 TYR 18 HE1 TYR 18 -2.297 1.023 0.840 150 HE2 TYR 18 HE2 TYR 18 -4.232 -2.796 0.432 151 HH TYR 18 HH TYR 18 -3.693 0.077 2.446 152 H PHE 19 H PHE 19 0.094 -4.386 -3.186 153 HA PHE 19 HA PHE 19 1.775 -4.284 -5.652 154 HB2 PHE 19 HB2 PHE 19 2.955 -5.090 -3.677 155 HB3 PHE 19 HB3 PHE 19 1.611 -6.115 -3.235 156 HD1 PHE 19 HD2 PHE 19 4.426 -5.684 -5.608 157 HD2 PHE 19 HD1 PHE 19 1.321 -8.349 -4.214 158 HE1 PHE 19 HE2 PHE 19 5.470 -7.558 -6.835 159 HE2 PHE 19 HE1 PHE 19 2.426 -10.226 -5.379 160 HZ PHE 19 HZ PHE 19 4.461 -9.827 -6.758 161 H ASN 20 H ASN 20 0.972 -5.402 -7.435 162 HA ASN 20 HA ASN 20 -1.636 -6.754 -7.092 163 HB2 ASN 20 HB2 ASN 20 -1.334 -5.074 -8.887 164 HB3 ASN 20 HB3 ASN 20 -0.143 -6.143 -9.629 165 HD21 ASN 20 HD22 ASN 20 -3.592 -5.663 -8.939 166 HD22 ASN 20 HD21 ASN 20 -4.173 -7.025 -9.831 167 H HIS 21 H HIS 21 -1.470 -8.776 -6.350 168 HA HIS 21 HA HIS 21 0.874 -10.425 -6.856 169 HB2 HIS 21 HB2 HIS 21 -0.185 -11.964 -5.300 170 HB3 HIS 21 HB3 HIS 21 -0.164 -10.339 -4.664 171 HD1 HIS 21 HD1 HIS 21 -2.471 -9.450 -3.792 172 HD2 HIS 21 HD2 HIS 21 -2.747 -12.686 -6.476 173 HE1 HIS 21 HE1 HIS 21 -4.924 -10.107 -3.880 174 H ILE 22 H ILE 22 -1.567 -9.777 -8.962 175 HA ILE 22 HA ILE 22 -1.474 -12.521 -10.137 176 HB ILE 22 HB ILE 22 -3.307 -10.160 -10.691 177 HG12 ILE 22 HG12 ILE 22 -3.753 -12.890 -9.395 178 HG13 ILE 22 HG13 ILE 22 -3.801 -11.325 -8.590 179 HG21 ILE 22 HG21 ILE 22 -2.906 -11.352 -12.806 180 HG22 ILE 22 HG22 ILE 22 -3.269 -12.904 -12.020 181 HG23 ILE 22 HG23 ILE 22 -4.528 -11.666 -12.244 182 HD11 ILE 22 HD11 ILE 22 -5.828 -12.435 -10.547 183 HD12 ILE 22 HD12 ILE 22 -6.049 -11.991 -8.851 184 HD13 ILE 22 HD13 ILE 22 -5.788 -10.721 -10.067 185 H THR 23 H THR 23 -0.143 -9.316 -10.458 186 HA THR 23 HA THR 23 1.043 -10.029 -13.131 187 HB THR 23 HB THR 23 0.731 -7.682 -13.790 188 HG1 THR 23 HG1 THR 23 -0.826 -7.457 -11.443 189 HG21 THR 23 HG21 THR 23 -1.933 -8.832 -12.850 190 HG22 THR 23 HG22 THR 23 -1.665 -7.614 -14.112 191 HG23 THR 23 HG23 THR 23 -1.093 -9.276 -14.351 192 H ASN 24 H ASN 24 1.815 -8.978 -9.939 193 HA ASN 24 HA ASN 24 3.574 -8.162 -8.956 194 HB2 ASN 24 HB2 ASN 24 4.754 -9.793 -10.635 195 HB3 ASN 24 HB3 ASN 24 5.312 -8.316 -11.417 196 HD21 ASN 24 HD22 ASN 24 6.221 -6.660 -9.618 197 HD22 ASN 24 HD21 ASN 24 7.430 -7.459 -8.585 198 H ALA 25 H ALA 25 1.718 -6.403 -10.930 199 HA ALA 25 HA ALA 25 3.267 -3.989 -11.184 200 HB1 ALA 25 HB1 ALA 25 1.126 -4.435 -12.378 201 HB2 ALA 25 HB2 ALA 25 0.255 -4.282 -10.839 202 HB3 ALA 25 HB3 ALA 25 1.126 -2.893 -11.505 203 H SER 26 H SER 26 2.680 -1.896 -9.826 204 HA SER 26 HA SER 26 2.051 -2.371 -7.005 205 HB2 SER 26 HB2 SER 26 4.864 -1.725 -7.898 206 HB3 SER 26 HB3 SER 26 4.248 -1.430 -6.253 207 HG SER 26 HG SER 26 3.692 -3.929 -7.347 208 H GLN 27 H GLN 27 1.601 -0.522 -5.874 209 HA GLN 27 HA GLN 27 1.763 2.155 -7.157 210 HB2 GLN 27 HB2 GLN 27 -0.724 0.670 -6.186 211 HB3 GLN 27 HB3 GLN 27 -0.649 2.429 -6.258 212 HG2 GLN 27 HG2 GLN 27 -0.106 2.308 -8.690 213 HG3 GLN 27 HG3 GLN 27 -0.286 0.555 -8.629 214 HE21 GLN 27 HE22 GLN 27 -1.989 3.661 -8.590 215 HE22 GLN 27 HE21 GLN 27 -3.596 2.919 -8.773 216 H PHE 28 H PHE 28 1.821 3.832 -5.637 217 HA PHE 28 HA PHE 28 2.278 3.057 -2.777 218 HB2 PHE 28 HB2 PHE 28 3.479 5.078 -4.539 219 HB3 PHE 28 HB3 PHE 28 2.784 5.805 -3.107 220 HD1 PHE 28 HD2 PHE 28 4.627 2.559 -3.732 221 HD2 PHE 28 HD1 PHE 28 4.460 6.268 -1.540 222 HE1 PHE 28 HE2 PHE 28 6.601 1.864 -2.396 223 HE2 PHE 28 HE1 PHE 28 6.440 5.565 -0.210 224 HZ PHE 28 HZ PHE 28 7.498 3.365 -0.622 225 H GLU 29 H GLU 29 0.053 4.447 -4.956 226 HA GLU 29 HA GLU 29 -1.684 5.908 -3.283 227 HB2 GLU 29 HB2 GLU 29 -2.472 4.089 -5.603 228 HB3 GLU 29 HB3 GLU 29 -3.321 5.503 -4.991 229 HG2 GLU 29 HG2 GLU 29 -2.337 6.450 -6.815 230 HG3 GLU 29 HG3 GLU 29 -1.069 6.779 -5.645 231 H ARG 30 H ARG 30 -3.581 5.274 -2.079 232 HA ARG 30 HA ARG 30 -3.545 2.428 -1.203 233 HB2 ARG 30 HB2 ARG 30 -3.715 4.839 0.633 234 HB3 ARG 30 HB3 ARG 30 -3.660 3.131 1.096 235 HG2 ARG 30 HG2 ARG 30 -1.390 3.003 -0.089 236 HG3 ARG 30 HG3 ARG 30 -1.481 4.758 -0.270 237 HD2 ARG 30 HD2 ARG 30 -1.524 5.029 2.186 238 HD3 ARG 30 HD3 ARG 30 -1.425 3.270 2.371 239 HE ARG 30 HE ARG 30 0.837 3.295 1.706 240 HH11 ARG 30 HH11 ARG 30 -0.401 6.504 1.063 241 HH12 ARG 30 HH12 ARG 30 1.144 7.054 0.463 242 HH21 ARG 30 HH21 ARG 30 2.639 3.968 0.998 243 HH22 ARG 30 HH22 ARG 30 2.911 5.619 0.447 244 HA PRO 31 HA PRO 31 -7.988 3.140 -1.818 245 HB2 PRO 31 HB2 PRO 31 -8.853 0.576 -1.776 246 HB3 PRO 31 HB3 PRO 31 -7.878 1.199 -3.139 247 HG2 PRO 31 HG2 PRO 31 -6.911 -0.400 -0.746 248 HG3 PRO 31 HG3 PRO 31 -6.563 -0.688 -2.481 249 HD2 PRO 31 HD2 PRO 31 -4.909 0.708 -0.770 250 HD3 PRO 31 HD3 PRO 31 -4.968 1.035 -2.523 251 H SER 32 H SER 32 -9.966 2.740 -0.468 252 HA SER 32 HA SER 32 -9.472 2.668 2.403 253 HB2 SER 32 HB2 SER 32 -11.863 3.025 2.576 254 HB3 SER 32 HB3 SER 32 -11.206 4.124 1.344 255 HG SER 32 HG SER 32 -12.317 1.580 0.874 256 H GLY 33 H GLY 33 -8.343 0.580 2.159 257 HA2 GLY 33 HA2 GLY 33 -8.135 -1.701 2.482 258 HA3 GLY 33 HA3 GLY 33 -9.827 -1.763 3.005 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -12.353 -8.589 -0.340 2 H2 LYS 1 H2 LYS 1 -11.846 -10.167 -0.300 3 H3 LYS 1 H3 LYS 1 -11.988 -9.353 -1.735 4 HA LYS 1 HA LYS 1 -10.069 -8.726 0.404 5 HB2 LYS 1 HB2 LYS 1 -9.789 -10.778 -1.366 6 HB3 LYS 1 HB3 LYS 1 -9.208 -9.463 -2.384 7 HG2 LYS 1 HG2 LYS 1 -7.707 -8.881 -0.248 8 HG3 LYS 1 HG3 LYS 1 -8.143 -10.503 0.263 9 HD2 LYS 1 HD2 LYS 1 -6.035 -10.669 -0.790 10 HD3 LYS 1 HD3 LYS 1 -7.176 -11.359 -1.956 11 HE2 LYS 1 HE2 LYS 1 -7.107 -9.337 -3.322 12 HE3 LYS 1 HE3 LYS 1 -6.331 -8.436 -2.017 13 HZ1 LYS 1 HZ1 LYS 1 -5.026 -10.457 -3.734 14 HZ2 LYS 1 HZ2 LYS 1 -4.632 -8.873 -3.412 15 HZ3 LYS 1 HZ3 LYS 1 -4.422 -10.054 -2.268 16 H LEU 2 H LEU 2 -8.221 -7.296 -0.976 17 HA LEU 2 HA LEU 2 -9.413 -4.792 -1.727 18 HB2 LEU 2 HB2 LEU 2 -6.668 -6.063 -2.035 19 HB3 LEU 2 HB3 LEU 2 -6.969 -4.389 -2.460 20 HG LEU 2 HG LEU 2 -7.528 -5.441 0.344 21 HD11 LEU 2 HD11 LEU 2 -5.227 -5.955 -0.056 22 HD12 LEU 2 HD12 LEU 2 -4.924 -4.342 -0.765 23 HD13 LEU 2 HD13 LEU 2 -5.301 -4.512 0.967 24 HD21 LEU 2 HD21 LEU 2 -6.774 -2.644 -0.570 25 HD22 LEU 2 HD22 LEU 2 -8.457 -3.175 -0.345 26 HD23 LEU 2 HD23 LEU 2 -7.335 -3.152 1.023 27 HA PRO 3 HA PRO 3 -10.524 -5.202 -5.907 28 HB2 PRO 3 HB2 PRO 3 -8.380 -3.228 -6.739 29 HB3 PRO 3 HB3 PRO 3 -10.106 -3.272 -7.223 30 HG2 PRO 3 HG2 PRO 3 -9.334 -1.576 -5.306 31 HG3 PRO 3 HG3 PRO 3 -10.810 -2.562 -5.049 32 HD2 PRO 3 HD2 PRO 3 -8.024 -3.054 -3.976 33 HD3 PRO 3 HD3 PRO 3 -9.594 -3.150 -3.123 34 HA PRO 4 HA PRO 4 -8.935 -8.385 -8.216 35 HB2 PRO 4 HB2 PRO 4 -8.534 -6.513 -10.562 36 HB3 PRO 4 HB3 PRO 4 -9.066 -8.231 -10.579 37 HG2 PRO 4 HG2 PRO 4 -10.926 -6.278 -10.557 38 HG3 PRO 4 HG3 PRO 4 -11.115 -7.682 -9.456 39 HD2 PRO 4 HD2 PRO 4 -10.187 -4.896 -8.824 40 HD3 PRO 4 HD3 PRO 4 -11.180 -6.013 -7.839 41 H GLY 5 H GLY 5 -7.201 -8.821 -6.949 42 HA2 GLY 5 HA2 GLY 5 -5.137 -9.885 -7.009 43 HA3 GLY 5 HA3 GLY 5 -4.638 -8.901 -8.386 44 H TRP 6 H TRP 6 -5.668 -6.471 -6.460 45 HA TRP 6 HA TRP 6 -2.964 -5.757 -5.697 46 HB2 TRP 6 HB2 TRP 6 -5.670 -4.511 -5.135 47 HB3 TRP 6 HB3 TRP 6 -4.134 -3.816 -4.629 48 HD1 TRP 6 HD1 TRP 6 -6.363 -4.090 -7.621 49 HE1 TRP 6 HE1 TRP 6 -5.318 -2.855 -9.632 50 HE3 TRP 6 HE3 TRP 6 -1.654 -3.352 -5.769 51 HZ2 TRP 6 HZ2 TRP 6 -2.750 -1.767 -10.360 52 HZ3 TRP 6 HZ3 TRP 6 0.083 -2.277 -7.164 53 HH2 TRP 6 HH2 TRP 6 -0.455 -1.465 -9.446 54 H GLU 7 H GLU 7 -1.914 -5.793 -3.732 55 HA GLU 7 HA GLU 7 -3.517 -6.309 -1.330 56 HB2 GLU 7 HB2 GLU 7 -2.534 -8.458 -2.577 57 HB3 GLU 7 HB3 GLU 7 -1.058 -8.001 -1.727 58 HG2 GLU 7 HG2 GLU 7 -2.244 -8.110 0.431 59 HG3 GLU 7 HG3 GLU 7 -3.798 -8.318 -0.395 60 H LYS 8 H LYS 8 -2.731 -5.487 0.521 61 HA LYS 8 HA LYS 8 -0.900 -3.348 0.526 62 HB2 LYS 8 HB2 LYS 8 -2.986 -3.884 1.949 63 HB3 LYS 8 HB3 LYS 8 -1.955 -4.950 2.898 64 HG2 LYS 8 HG2 LYS 8 -0.553 -2.984 3.534 65 HG3 LYS 8 HG3 LYS 8 -1.570 -1.943 2.518 66 HD2 LYS 8 HD2 LYS 8 -3.582 -2.690 3.914 67 HD3 LYS 8 HD3 LYS 8 -2.454 -3.558 4.949 68 HE2 LYS 8 HE2 LYS 8 -2.846 -1.580 6.111 69 HE3 LYS 8 HE3 LYS 8 -1.278 -1.314 5.340 70 HZ1 LYS 8 HZ1 LYS 8 -2.542 -0.089 3.567 71 HZ2 LYS 8 HZ2 LYS 8 -3.919 -0.242 4.402 72 HZ3 LYS 8 HZ3 LYS 8 -2.687 0.619 5.055 73 H ARG 9 H ARG 9 1.203 -3.225 0.969 74 HA ARG 9 HA ARG 9 2.716 -5.428 2.286 75 HB2 ARG 9 HB2 ARG 9 3.301 -4.166 -0.436 76 HB3 ARG 9 HB3 ARG 9 4.483 -5.117 0.462 77 HG2 ARG 9 HG2 ARG 9 1.837 -6.174 -0.622 78 HG3 ARG 9 HG3 ARG 9 3.432 -6.404 -1.329 79 HD2 ARG 9 HD2 ARG 9 4.200 -7.614 0.673 80 HD3 ARG 9 HD3 ARG 9 2.633 -7.386 1.449 81 HE ARG 9 HE ARG 9 3.287 -9.242 -0.736 82 HH11 ARG 9 HH11 ARG 9 0.526 -7.810 1.105 83 HH12 ARG 9 HH12 ARG 9 -0.413 -9.270 0.666 84 HH21 ARG 9 HH21 ARG 9 1.774 -10.943 -1.149 85 HH22 ARG 9 HH22 ARG 9 0.148 -10.706 -0.462 86 H MET 10 H MET 10 4.823 -4.786 3.072 87 HA MET 10 HA MET 10 4.915 -1.942 3.879 88 HB2 MET 10 HB2 MET 10 5.104 -3.788 5.544 89 HB3 MET 10 HB3 MET 10 6.619 -4.291 4.778 90 HG2 MET 10 HG2 MET 10 6.234 -1.456 5.776 91 HG3 MET 10 HG3 MET 10 6.642 -2.757 6.891 92 HE1 MET 10 HE1 MET 10 8.271 -0.001 6.303 93 HE2 MET 10 HE2 MET 10 8.698 -1.140 7.604 94 HE3 MET 10 HE3 MET 10 9.939 -0.598 6.449 95 H PHE 11 H PHE 11 6.422 -0.558 3.225 96 HA PHE 11 HA PHE 11 8.333 -1.320 1.082 97 HB2 PHE 11 HB2 PHE 11 6.521 0.424 0.648 98 HB3 PHE 11 HB3 PHE 11 7.295 1.432 1.844 99 HD1 PHE 11 HD1 PHE 11 7.889 -0.389 -1.379 100 HD2 PHE 11 HD2 PHE 11 9.111 2.855 1.192 101 HE1 PHE 11 HE1 PHE 11 9.401 0.456 -3.156 102 HE2 PHE 11 HE2 PHE 11 10.604 3.706 -0.605 103 HZ PHE 11 HZ PHE 11 10.760 2.502 -2.767 104 H ALA 12 H ALA 12 10.336 -1.632 1.820 105 HA ALA 12 HA ALA 12 11.184 -1.417 4.384 106 HB1 ALA 12 HB1 ALA 12 12.886 -1.421 1.861 107 HB2 ALA 12 HB2 ALA 12 13.412 -1.927 3.481 108 HB3 ALA 12 HB3 ALA 12 12.151 -2.845 2.639 109 H ASN 13 H ASN 13 11.207 1.356 2.240 110 HA ASN 13 HA ASN 13 13.202 2.857 3.718 111 HB2 ASN 13 HB2 ASN 13 12.204 3.143 1.271 112 HB3 ASN 13 HB3 ASN 13 11.002 4.140 2.100 113 HD21 ASN 13 HD22 ASN 13 12.511 5.571 3.964 114 HD22 ASN 13 HD21 ASN 13 13.707 6.509 3.049 115 H GLY 14 H GLY 14 10.089 1.825 4.634 116 HA2 GLY 14 HA2 GLY 14 9.205 2.280 6.818 117 HA3 GLY 14 HA3 GLY 14 9.895 3.908 6.776 118 H THR 15 H THR 15 7.658 1.873 4.761 119 HA THR 15 HA THR 15 5.501 3.834 4.838 120 HB THR 15 HB THR 15 7.390 3.565 2.492 121 HG1 THR 15 HG1 THR 15 7.235 5.254 4.256 122 HG21 THR 15 HG21 THR 15 5.842 4.881 1.085 123 HG22 THR 15 HG22 THR 15 5.272 3.234 1.342 124 HG23 THR 15 HG23 THR 15 4.534 4.590 2.246 125 H VAL 16 H VAL 16 3.678 2.977 3.267 126 HA VAL 16 HA VAL 16 3.807 0.022 2.967 127 HB VAL 16 HB VAL 16 1.655 1.711 4.213 128 HG11 VAL 16 HG11 VAL 16 0.396 0.762 2.328 129 HG12 VAL 16 HG12 VAL 16 1.025 -0.860 2.701 130 HG13 VAL 16 HG13 VAL 16 -0.043 -0.026 3.843 131 HG21 VAL 16 HG21 VAL 16 2.597 -1.160 4.621 132 HG22 VAL 16 HG22 VAL 16 3.202 0.245 5.533 133 HG23 VAL 16 HG23 VAL 16 1.506 -0.247 5.688 134 H TYR 17 H TYR 17 2.913 -0.805 1.121 135 HA TYR 17 HA TYR 17 1.875 1.043 -0.922 136 HB2 TYR 17 HB2 TYR 17 3.449 0.556 -2.555 137 HB3 TYR 17 HB3 TYR 17 4.429 0.792 -1.137 138 HD1 TYR 17 HD1 TYR 17 5.243 -1.289 0.158 139 HD2 TYR 17 HD2 TYR 17 3.531 -1.538 -3.800 140 HE1 TYR 17 HE1 TYR 17 6.434 -3.418 -0.223 141 HE2 TYR 17 HE2 TYR 17 4.758 -3.654 -4.183 142 HH TYR 17 HH TYR 17 6.934 -5.072 -1.747 143 H TYR 18 H TYR 18 1.437 -0.481 -2.999 144 HA TYR 18 HA TYR 18 0.055 -2.918 -2.071 145 HB2 TYR 18 HB2 TYR 18 -0.988 -0.747 -3.932 146 HB3 TYR 18 HB3 TYR 18 -1.769 -2.310 -3.662 147 HD1 TYR 18 HD2 TYR 18 -0.764 0.879 -2.037 148 HD2 TYR 18 HD1 TYR 18 -3.000 -2.796 -1.638 149 HE1 TYR 18 HE2 TYR 18 -1.527 1.591 0.213 150 HE2 TYR 18 HE1 TYR 18 -3.852 -2.032 0.564 151 HH TYR 18 HH TYR 18 -3.961 -0.337 2.039 152 H PHE 19 H PHE 19 0.477 -4.667 -3.150 153 HA PHE 19 HA PHE 19 1.886 -4.526 -5.789 154 HB2 PHE 19 HB2 PHE 19 3.317 -5.388 -4.027 155 HB3 PHE 19 HB3 PHE 19 2.064 -6.463 -3.459 156 HD1 PHE 19 HD1 PHE 19 4.338 -5.745 -6.340 157 HD2 PHE 19 HD2 PHE 19 1.771 -8.662 -4.455 158 HE1 PHE 19 HE1 PHE 19 5.218 -7.494 -7.848 159 HE2 PHE 19 HE2 PHE 19 2.669 -10.414 -5.962 160 HZ PHE 19 HZ PHE 19 4.381 -9.837 -7.669 161 H ASN 20 H ASN 20 0.846 -5.467 -7.485 162 HA ASN 20 HA ASN 20 -1.724 -6.807 -6.951 163 HB2 ASN 20 HB2 ASN 20 -1.527 -4.956 -8.613 164 HB3 ASN 20 HB3 ASN 20 -0.475 -5.984 -9.574 165 HD21 ASN 20 HD22 ASN 20 -3.794 -5.256 -8.710 166 HD22 ASN 20 HD21 ASN 20 -4.535 -6.583 -9.558 167 H HIS 21 H HIS 21 -1.381 -8.883 -6.260 168 HA HIS 21 HA HIS 21 0.769 -10.462 -7.361 169 HB2 HIS 21 HB2 HIS 21 0.189 -12.137 -5.804 170 HB3 HIS 21 HB3 HIS 21 0.159 -10.576 -5.030 171 HD1 HIS 21 HD1 HIS 21 -1.230 -12.270 -3.207 172 HD2 HIS 21 HD2 HIS 21 -3.158 -10.963 -6.701 173 HE1 HIS 21 HE1 HIS 21 -3.705 -12.602 -2.814 174 H ILE 22 H ILE 22 -1.820 -9.690 -9.102 175 HA ILE 22 HA ILE 22 -1.950 -12.356 -10.454 176 HB ILE 22 HB ILE 22 -3.790 -9.939 -10.587 177 HG12 ILE 22 HG12 ILE 22 -4.228 -12.830 -9.690 178 HG13 ILE 22 HG13 ILE 22 -4.068 -11.439 -8.629 179 HG21 ILE 22 HG21 ILE 22 -3.916 -12.487 -12.261 180 HG22 ILE 22 HG22 ILE 22 -5.172 -11.229 -12.201 181 HG23 ILE 22 HG23 ILE 22 -3.606 -10.847 -12.870 182 HD11 ILE 22 HD11 ILE 22 -6.379 -12.056 -10.482 183 HD12 ILE 22 HD12 ILE 22 -6.376 -11.900 -8.721 184 HD13 ILE 22 HD13 ILE 22 -6.145 -10.458 -9.734 185 H THR 23 H THR 23 -0.666 -9.109 -10.679 186 HA THR 23 HA THR 23 0.226 -9.590 -13.516 187 HB THR 23 HB THR 23 -0.167 -7.197 -13.917 188 HG1 THR 23 HG1 THR 23 -1.416 -7.162 -11.386 189 HG21 THR 23 HG21 THR 23 -2.702 -8.408 -12.729 190 HG22 THR 23 HG22 THR 23 -2.580 -7.095 -13.916 191 HG23 THR 23 HG23 THR 23 -2.076 -8.737 -14.359 192 H ASN 24 H ASN 24 1.294 -8.917 -10.378 193 HA ASN 24 HA ASN 24 2.979 -8.070 -9.382 194 HB2 ASN 24 HB2 ASN 24 5.189 -8.427 -10.098 195 HB3 ASN 24 HB3 ASN 24 4.216 -9.776 -10.669 196 HD21 ASN 24 HD22 ASN 24 5.303 -6.537 -11.836 197 HD22 ASN 24 HD21 ASN 24 5.771 -7.165 -13.434 198 H ALA 25 H ALA 25 1.213 -6.176 -11.092 199 HA ALA 25 HA ALA 25 2.859 -3.834 -11.396 200 HB1 ALA 25 HB1 ALA 25 0.723 -2.651 -11.498 201 HB2 ALA 25 HB2 ALA 25 0.628 -4.146 -12.445 202 HB3 ALA 25 HB3 ALA 25 -0.131 -4.061 -10.842 203 H SER 26 H SER 26 2.697 -1.844 -10.033 204 HA SER 26 HA SER 26 2.406 -2.328 -7.114 205 HB2 SER 26 HB2 SER 26 4.593 -1.355 -6.728 206 HB3 SER 26 HB3 SER 26 4.747 -2.817 -7.729 207 HG SER 26 HG SER 26 4.457 -0.257 -8.897 208 H GLN 27 H GLN 27 1.514 -0.613 -6.070 209 HA GLN 27 HA GLN 27 1.894 2.157 -7.055 210 HB2 GLN 27 HB2 GLN 27 -0.797 0.788 -6.623 211 HB3 GLN 27 HB3 GLN 27 -0.602 2.533 -6.477 212 HG2 GLN 27 HG2 GLN 27 0.241 2.674 -8.794 213 HG3 GLN 27 HG3 GLN 27 0.050 0.927 -8.981 214 HE21 GLN 27 HE22 GLN 27 -1.789 4.016 -8.460 215 HE22 GLN 27 HE21 GLN 27 -3.275 3.305 -9.116 216 H PHE 28 H PHE 28 1.412 3.756 -5.293 217 HA PHE 28 HA PHE 28 1.812 2.589 -2.561 218 HB2 PHE 28 HB2 PHE 28 2.155 5.391 -3.670 219 HB3 PHE 28 HB3 PHE 28 2.189 4.999 -1.954 220 HD1 PHE 28 HD1 PHE 28 3.885 3.317 -1.076 221 HD2 PHE 28 HD2 PHE 28 4.143 5.051 -5.013 222 HE1 PHE 28 HE1 PHE 28 6.282 2.698 -1.189 223 HE2 PHE 28 HE2 PHE 28 6.544 4.421 -5.128 224 HZ PHE 28 HZ PHE 28 7.618 3.248 -3.213 225 H GLU 29 H GLU 29 -0.329 4.397 -4.607 226 HA GLU 29 HA GLU 29 -2.129 5.559 -2.861 227 HB2 GLU 29 HB2 GLU 29 -2.866 4.406 -5.585 228 HB3 GLU 29 HB3 GLU 29 -3.585 5.771 -4.738 229 HG2 GLU 29 HG2 GLU 29 -2.296 6.872 -6.282 230 HG3 GLU 29 HG3 GLU 29 -1.169 6.835 -4.932 231 H ARG 30 H ARG 30 -3.224 4.575 -1.213 232 HA ARG 30 HA ARG 30 -3.797 1.813 -1.253 233 HB2 ARG 30 HB2 ARG 30 -4.824 2.098 0.918 234 HB3 ARG 30 HB3 ARG 30 -3.251 2.882 0.800 235 HG2 ARG 30 HG2 ARG 30 -4.366 5.089 0.577 236 HG3 ARG 30 HG3 ARG 30 -5.933 4.294 0.798 237 HD2 ARG 30 HD2 ARG 30 -3.643 4.176 2.800 238 HD3 ARG 30 HD3 ARG 30 -4.978 5.319 2.893 239 HE ARG 30 HE ARG 30 -5.079 2.417 3.515 240 HH11 ARG 30 HH11 ARG 30 -7.172 5.147 2.764 241 HH12 ARG 30 HH12 ARG 30 -8.498 4.417 3.647 242 HH21 ARG 30 HH21 ARG 30 -6.662 1.610 4.442 243 HH22 ARG 30 HH22 ARG 30 -8.288 2.230 4.263 244 HA PRO 31 HA PRO 31 -7.959 1.988 -3.018 245 HB2 PRO 31 HB2 PRO 31 -8.317 -0.652 -3.487 246 HB3 PRO 31 HB3 PRO 31 -7.300 0.384 -4.530 247 HG2 PRO 31 HG2 PRO 31 -6.425 -1.575 -2.427 248 HG3 PRO 31 HG3 PRO 31 -5.673 -1.214 -4.002 249 HD2 PRO 31 HD2 PRO 31 -4.912 -0.153 -1.503 250 HD3 PRO 31 HD3 PRO 31 -4.453 0.517 -3.089 251 H SER 32 H SER 32 -8.271 2.760 -0.830 252 HA SER 32 HA SER 32 -9.431 2.959 1.052 253 HB2 SER 32 HB2 SER 32 -11.254 2.121 -0.412 254 HB3 SER 32 HB3 SER 32 -10.984 0.491 0.246 255 HG SER 32 HG SER 32 -11.182 1.632 2.370 256 H GLY 33 H GLY 33 -7.596 0.039 0.899 257 HA2 GLY 33 HA2 GLY 33 -7.875 -0.362 3.871 258 HA3 GLY 33 HA3 GLY 33 -7.491 -1.613 2.702 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -8.408 2.820 -3.805 2 H2 LYS 1 H2 LYS 1 -8.725 1.815 -2.551 3 H3 LYS 1 H3 LYS 1 -9.783 3.013 -2.927 4 HA LYS 1 HA LYS 1 -10.640 0.884 -3.748 5 HB2 LYS 1 HB2 LYS 1 -9.678 2.780 -5.930 6 HB3 LYS 1 HB3 LYS 1 -10.900 1.542 -6.160 7 HG2 LYS 1 HG2 LYS 1 -12.542 2.700 -5.093 8 HG3 LYS 1 HG3 LYS 1 -11.486 3.410 -3.918 9 HD2 LYS 1 HD2 LYS 1 -12.060 4.351 -6.724 10 HD3 LYS 1 HD3 LYS 1 -12.341 5.190 -5.209 11 HE2 LYS 1 HE2 LYS 1 -9.715 4.806 -6.687 12 HE3 LYS 1 HE3 LYS 1 -10.578 6.304 -6.356 13 HZ1 LYS 1 HZ1 LYS 1 -8.680 4.912 -4.732 14 HZ2 LYS 1 HZ2 LYS 1 -9.182 6.454 -4.596 15 HZ3 LYS 1 HZ3 LYS 1 -10.009 5.252 -3.847 16 H LEU 2 H LEU 2 -9.348 -1.065 -3.466 17 HA LEU 2 HA LEU 2 -6.984 -1.419 -5.154 18 HB2 LEU 2 HB2 LEU 2 -8.458 -3.248 -3.231 19 HB3 LEU 2 HB3 LEU 2 -7.185 -3.808 -4.295 20 HG LEU 2 HG LEU 2 -6.936 -1.904 -1.975 21 HD11 LEU 2 HD11 LEU 2 -6.822 -4.349 -1.557 22 HD12 LEU 2 HD12 LEU 2 -5.521 -4.501 -2.751 23 HD13 LEU 2 HD13 LEU 2 -5.248 -3.585 -1.264 24 HD21 LEU 2 HD21 LEU 2 -4.836 -2.406 -4.120 25 HD22 LEU 2 HD22 LEU 2 -5.552 -0.847 -3.655 26 HD23 LEU 2 HD23 LEU 2 -4.514 -1.693 -2.525 27 HA PRO 3 HA PRO 3 -9.448 -3.223 -8.513 28 HB2 PRO 3 HB2 PRO 3 -6.774 -3.868 -9.666 29 HB3 PRO 3 HB3 PRO 3 -8.120 -2.960 -10.400 30 HG2 PRO 3 HG2 PRO 3 -5.848 -1.699 -9.552 31 HG3 PRO 3 HG3 PRO 3 -7.469 -0.949 -9.408 32 HD2 PRO 3 HD2 PRO 3 -5.877 -2.371 -7.269 33 HD3 PRO 3 HD3 PRO 3 -6.792 -0.842 -7.188 34 HA PRO 4 HA PRO 4 -9.130 -7.560 -7.539 35 HB2 PRO 4 HB2 PRO 4 -9.226 -8.919 -9.951 36 HB3 PRO 4 HB3 PRO 4 -10.635 -8.164 -9.144 37 HG2 PRO 4 HG2 PRO 4 -8.908 -7.010 -11.349 38 HG3 PRO 4 HG3 PRO 4 -10.698 -7.039 -11.242 39 HD2 PRO 4 HD2 PRO 4 -9.286 -4.846 -10.559 40 HD3 PRO 4 HD3 PRO 4 -10.711 -5.329 -9.595 41 H GLY 5 H GLY 5 -7.575 -9.046 -7.073 42 HA2 GLY 5 HA2 GLY 5 -5.583 -10.198 -7.182 43 HA3 GLY 5 HA3 GLY 5 -5.162 -9.362 -8.675 44 H TRP 6 H TRP 6 -5.933 -7.005 -6.217 45 HA TRP 6 HA TRP 6 -3.040 -6.583 -5.768 46 HB2 TRP 6 HB2 TRP 6 -5.467 -4.884 -5.296 47 HB3 TRP 6 HB3 TRP 6 -3.857 -4.457 -4.727 48 HD1 TRP 6 HD1 TRP 6 -5.412 -5.468 -8.135 49 HE1 TRP 6 HE1 TRP 6 -4.368 -4.009 -9.988 50 HE3 TRP 6 HE3 TRP 6 -2.208 -2.691 -5.285 51 HZ2 TRP 6 HZ2 TRP 6 -2.353 -1.975 -10.209 52 HZ3 TRP 6 HZ3 TRP 6 -0.783 -0.967 -6.325 53 HH2 TRP 6 HH2 TRP 6 -0.812 -0.618 -8.789 54 H GLU 7 H GLU 7 -2.136 -6.036 -3.745 55 HA GLU 7 HA GLU 7 -3.208 -7.302 -1.300 56 HB2 GLU 7 HB2 GLU 7 -1.368 -8.468 -3.241 57 HB3 GLU 7 HB3 GLU 7 -0.452 -8.102 -1.797 58 HG2 GLU 7 HG2 GLU 7 -3.100 -9.612 -1.694 59 HG3 GLU 7 HG3 GLU 7 -1.553 -10.410 -2.004 60 H LYS 8 H LYS 8 -1.632 -6.851 0.602 61 HA LYS 8 HA LYS 8 -0.530 -4.096 0.311 62 HB2 LYS 8 HB2 LYS 8 -1.037 -3.629 2.450 63 HB3 LYS 8 HB3 LYS 8 -2.370 -4.685 2.025 64 HG2 LYS 8 HG2 LYS 8 0.065 -5.427 3.707 65 HG3 LYS 8 HG3 LYS 8 -1.521 -5.010 4.320 66 HD2 LYS 8 HD2 LYS 8 -0.964 -7.436 2.574 67 HD3 LYS 8 HD3 LYS 8 -1.038 -7.455 4.334 68 HE2 LYS 8 HE2 LYS 8 -3.367 -6.820 4.352 69 HE3 LYS 8 HE3 LYS 8 -3.344 -6.478 2.612 70 HZ1 LYS 8 HZ1 LYS 8 -2.898 -9.167 3.754 71 HZ2 LYS 8 HZ2 LYS 8 -4.304 -8.650 3.042 72 HZ3 LYS 8 HZ3 LYS 8 -2.915 -8.751 2.158 73 H ARG 9 H ARG 9 1.556 -3.546 0.724 74 HA ARG 9 HA ARG 9 3.450 -5.597 1.783 75 HB2 ARG 9 HB2 ARG 9 3.681 -4.212 -0.915 76 HB3 ARG 9 HB3 ARG 9 4.989 -5.134 -0.172 77 HG2 ARG 9 HG2 ARG 9 2.309 -6.259 -1.072 78 HG3 ARG 9 HG3 ARG 9 3.826 -6.363 -1.958 79 HD2 ARG 9 HD2 ARG 9 4.836 -7.775 -0.299 80 HD3 ARG 9 HD3 ARG 9 3.485 -7.569 0.810 81 HE ARG 9 HE ARG 9 3.475 -9.144 -1.727 82 HH11 ARG 9 HH11 ARG 9 1.537 -8.172 1.102 83 HH12 ARG 9 HH12 ARG 9 0.502 -9.587 0.869 84 HH21 ARG 9 HH21 ARG 9 1.857 -10.860 -1.863 85 HH22 ARG 9 HH22 ARG 9 0.589 -10.779 -0.617 86 H MET 10 H MET 10 5.583 -4.753 2.280 87 HA MET 10 HA MET 10 5.570 -1.860 2.981 88 HB2 MET 10 HB2 MET 10 7.021 -4.203 4.258 89 HB3 MET 10 HB3 MET 10 7.329 -2.501 4.636 90 HG2 MET 10 HG2 MET 10 4.958 -2.209 5.274 91 HG3 MET 10 HG3 MET 10 4.665 -3.927 5.002 92 HE1 MET 10 HE1 MET 10 5.535 -5.858 6.520 93 HE2 MET 10 HE2 MET 10 7.233 -5.384 6.262 94 HE3 MET 10 HE3 MET 10 6.621 -5.639 7.909 95 H PHE 11 H PHE 11 7.183 -0.569 2.312 96 HA PHE 11 HA PHE 11 9.291 -1.606 0.506 97 HB2 PHE 11 HB2 PHE 11 8.133 1.125 1.167 98 HB3 PHE 11 HB3 PHE 11 9.711 0.990 0.443 99 HD1 PHE 11 HD1 PHE 11 9.419 -1.142 -1.615 100 HD2 PHE 11 HD2 PHE 11 6.777 2.084 -0.493 101 HE1 PHE 11 HE1 PHE 11 8.446 -1.153 -3.878 102 HE2 PHE 11 HE2 PHE 11 5.825 2.076 -2.797 103 HZ PHE 11 HZ PHE 11 6.648 0.455 -4.476 104 H ALA 12 H ALA 12 11.457 -1.342 0.962 105 HA ALA 12 HA ALA 12 12.247 -1.737 3.609 106 HB1 ALA 12 HB1 ALA 12 13.374 -2.634 1.607 107 HB2 ALA 12 HB2 ALA 12 13.905 -0.994 1.161 108 HB3 ALA 12 HB3 ALA 12 14.513 -1.758 2.645 109 H ASN 13 H ASN 13 11.635 1.376 2.213 110 HA ASN 13 HA ASN 13 13.500 2.833 3.940 111 HB2 ASN 13 HB2 ASN 13 12.500 4.775 3.012 112 HB3 ASN 13 HB3 ASN 13 12.574 3.640 1.666 113 HD21 ASN 13 HD22 ASN 13 10.525 5.784 3.352 114 HD22 ASN 13 HD21 ASN 13 8.994 5.058 2.895 115 H GLY 14 H GLY 14 10.560 1.134 4.473 116 HA2 GLY 14 HA2 GLY 14 9.318 1.020 6.460 117 HA3 GLY 14 HA3 GLY 14 9.986 2.569 7.005 118 H THR 15 H THR 15 8.054 1.334 4.140 119 HA THR 15 HA THR 15 5.853 3.139 4.952 120 HB THR 15 HB THR 15 7.283 3.351 2.270 121 HG1 THR 15 HG1 THR 15 7.549 4.577 4.580 122 HG21 THR 15 HG21 THR 15 5.661 5.179 1.765 123 HG22 THR 15 HG22 THR 15 4.910 3.581 1.784 124 HG23 THR 15 HG23 THR 15 4.693 4.683 3.169 125 H VAL 16 H VAL 16 3.791 2.482 4.035 126 HA VAL 16 HA VAL 16 3.818 -0.288 2.953 127 HB VAL 16 HB VAL 16 1.826 1.307 4.535 128 HG11 VAL 16 HG11 VAL 16 0.059 -0.369 4.081 129 HG12 VAL 16 HG12 VAL 16 0.411 0.600 2.650 130 HG13 VAL 16 HG13 VAL 16 1.039 -1.062 2.775 131 HG21 VAL 16 HG21 VAL 16 2.702 -1.617 4.526 132 HG22 VAL 16 HG22 VAL 16 3.411 -0.347 5.563 133 HG23 VAL 16 HG23 VAL 16 1.716 -0.819 5.772 134 H TYR 17 H TYR 17 2.930 -0.852 1.093 135 HA TYR 17 HA TYR 17 1.528 1.106 -0.588 136 HB2 TYR 17 HB2 TYR 17 2.930 0.893 -2.449 137 HB3 TYR 17 HB3 TYR 17 4.025 1.180 -1.122 138 HD1 TYR 17 HD1 TYR 17 5.354 -0.755 -0.123 139 HD2 TYR 17 HD2 TYR 17 3.031 -1.178 -3.731 140 HE1 TYR 17 HE1 TYR 17 6.649 -2.811 -0.743 141 HE2 TYR 17 HE2 TYR 17 4.238 -3.241 -4.289 142 HH TYR 17 HH TYR 17 6.056 -4.565 -3.772 143 H TYR 18 H TYR 18 0.861 -0.244 -2.750 144 HA TYR 18 HA TYR 18 -0.015 -2.914 -1.838 145 HB2 TYR 18 HB2 TYR 18 -1.636 -0.810 -3.276 146 HB3 TYR 18 HB3 TYR 18 -2.144 -2.481 -2.999 147 HD1 TYR 18 HD1 TYR 18 -1.345 0.734 -1.317 148 HD2 TYR 18 HD2 TYR 18 -2.831 -3.279 -0.796 149 HE1 TYR 18 HE1 TYR 18 -1.857 1.235 1.064 150 HE2 TYR 18 HE2 TYR 18 -3.361 -2.781 1.561 151 HH TYR 18 HH TYR 18 -2.615 0.367 3.069 152 H PHE 19 H PHE 19 0.018 -4.505 -3.189 153 HA PHE 19 HA PHE 19 1.591 -4.271 -5.722 154 HB2 PHE 19 HB2 PHE 19 2.908 -5.018 -3.844 155 HB3 PHE 19 HB3 PHE 19 1.637 -6.076 -3.287 156 HD1 PHE 19 HD1 PHE 19 4.374 -5.697 -5.739 157 HD2 PHE 19 HD2 PHE 19 1.324 -8.321 -4.171 158 HE1 PHE 19 HE1 PHE 19 5.482 -7.643 -6.814 159 HE2 PHE 19 HE2 PHE 19 2.459 -10.254 -5.220 160 HZ PHE 19 HZ PHE 19 4.488 -9.900 -6.621 161 H ASN 20 H ASN 20 0.519 -5.051 -7.480 162 HA ASN 20 HA ASN 20 -1.781 -6.787 -7.326 163 HB2 ASN 20 HB2 ASN 20 -1.414 -5.112 -9.135 164 HB3 ASN 20 HB3 ASN 20 -0.028 -6.048 -9.682 165 HD21 ASN 20 HD22 ASN 20 -3.572 -6.134 -9.243 166 HD22 ASN 20 HD21 ASN 20 -3.830 -7.475 -10.340 167 H HIS 21 H HIS 21 -1.498 -8.817 -6.540 168 HA HIS 21 HA HIS 21 1.016 -10.238 -6.842 169 HB2 HIS 21 HB2 HIS 21 -0.050 -11.920 -5.429 170 HB3 HIS 21 HB3 HIS 21 -0.192 -10.313 -4.758 171 HD1 HIS 21 HD1 HIS 21 -2.594 -9.723 -3.924 172 HD2 HIS 21 HD2 HIS 21 -2.474 -12.704 -6.900 173 HE1 HIS 21 HE1 HIS 21 -4.973 -10.562 -4.200 174 H ILE 22 H ILE 22 -1.108 -9.734 -9.222 175 HA ILE 22 HA ILE 22 -0.744 -12.463 -10.374 176 HB ILE 22 HB ILE 22 -2.540 -10.188 -11.299 177 HG12 ILE 22 HG12 ILE 22 -3.227 -12.755 -9.795 178 HG13 ILE 22 HG13 ILE 22 -3.308 -11.122 -9.140 179 HG21 ILE 22 HG21 ILE 22 -2.346 -13.079 -12.255 180 HG22 ILE 22 HG22 ILE 22 -3.539 -11.882 -12.811 181 HG23 ILE 22 HG23 ILE 22 -1.850 -11.641 -13.173 182 HD11 ILE 22 HD11 ILE 22 -5.527 -11.759 -9.637 183 HD12 ILE 22 HD12 ILE 22 -5.057 -10.553 -10.853 184 HD13 ILE 22 HD13 ILE 22 -5.116 -12.285 -11.271 185 H THR 23 H THR 23 0.419 -9.166 -10.517 186 HA THR 23 HA THR 23 2.026 -9.801 -12.981 187 HB THR 23 HB THR 23 1.570 -7.530 -13.788 188 HG1 THR 23 HG1 THR 23 -0.330 -7.396 -11.690 189 HG21 THR 23 HG21 THR 23 -1.076 -8.923 -13.201 190 HG22 THR 23 HG22 THR 23 -0.732 -7.743 -14.480 191 HG23 THR 23 HG23 THR 23 0.030 -9.345 -14.525 192 H ASN 24 H ASN 24 2.124 -8.374 -9.800 193 HA ASN 24 HA ASN 24 3.660 -7.429 -8.596 194 HB2 ASN 24 HB2 ASN 24 5.609 -7.199 -10.910 195 HB3 ASN 24 HB3 ASN 24 5.949 -7.040 -9.200 196 HD21 ASN 24 HD22 ASN 24 5.187 -9.307 -11.766 197 HD22 ASN 24 HD21 ASN 24 5.773 -10.736 -10.885 198 H ALA 25 H ALA 25 2.001 -5.915 -11.098 199 HA ALA 25 HA ALA 25 3.089 -3.310 -11.155 200 HB1 ALA 25 HB1 ALA 25 0.796 -2.611 -11.737 201 HB2 ALA 25 HB2 ALA 25 1.237 -4.099 -12.599 202 HB3 ALA 25 HB3 ALA 25 0.160 -4.173 -11.189 203 H SER 26 H SER 26 3.204 -1.640 -9.624 204 HA SER 26 HA SER 26 1.896 -2.155 -6.985 205 HB2 SER 26 HB2 SER 26 4.820 -1.588 -7.586 206 HB3 SER 26 HB3 SER 26 4.094 -1.583 -5.973 207 HG SER 26 HG SER 26 4.226 -3.828 -7.776 208 H GLN 27 H GLN 27 1.294 -0.417 -5.783 209 HA GLN 27 HA GLN 27 2.107 2.298 -6.451 210 HB2 GLN 27 HB2 GLN 27 0.415 1.690 -8.229 211 HB3 GLN 27 HB3 GLN 27 -0.777 1.405 -6.969 212 HG2 GLN 27 HG2 GLN 27 -0.983 3.586 -8.192 213 HG3 GLN 27 HG3 GLN 27 -0.894 3.753 -6.451 214 HE21 GLN 27 HE22 GLN 27 0.918 4.321 -9.514 215 HE22 GLN 27 HE21 GLN 27 2.106 5.328 -8.705 216 H PHE 28 H PHE 28 1.080 3.901 -4.987 217 HA PHE 28 HA PHE 28 0.558 2.907 -2.297 218 HB2 PHE 28 HB2 PHE 28 0.572 5.704 -3.480 219 HB3 PHE 28 HB3 PHE 28 0.493 5.320 -1.762 220 HD1 PHE 28 HD1 PHE 28 2.390 3.612 -0.908 221 HD2 PHE 28 HD2 PHE 28 2.709 6.131 -4.391 222 HE1 PHE 28 HE1 PHE 28 4.847 3.572 -0.703 223 HE2 PHE 28 HE2 PHE 28 5.191 6.061 -4.206 224 HZ PHE 28 HZ PHE 28 6.265 4.798 -2.351 225 H GLU 29 H GLU 29 -1.477 2.803 -4.781 226 HA GLU 29 HA GLU 29 -3.888 4.034 -3.789 227 HB2 GLU 29 HB2 GLU 29 -3.583 3.526 -6.160 228 HB3 GLU 29 HB3 GLU 29 -3.529 1.803 -5.798 229 HG2 GLU 29 HG2 GLU 29 -5.740 2.480 -6.637 230 HG3 GLU 29 HG3 GLU 29 -5.836 1.843 -4.998 231 H ARG 30 H ARG 30 -4.785 3.504 -1.925 232 HA ARG 30 HA ARG 30 -4.304 0.881 -0.736 233 HB2 ARG 30 HB2 ARG 30 -4.602 1.926 1.345 234 HB3 ARG 30 HB3 ARG 30 -3.694 3.066 0.385 235 HG2 ARG 30 HG2 ARG 30 -6.618 3.208 1.199 236 HG3 ARG 30 HG3 ARG 30 -5.305 4.234 1.738 237 HD2 ARG 30 HD2 ARG 30 -6.663 4.232 -0.970 238 HD3 ARG 30 HD3 ARG 30 -6.688 5.502 0.253 239 HE ARG 30 HE ARG 30 -4.000 5.271 -0.345 240 HH11 ARG 30 HH12 ARG 30 -6.855 6.035 -2.342 241 HH12 ARG 30 HH11 ARG 30 -5.816 5.997 -3.752 242 HH21 ARG 30 HH21 ARG 30 -2.852 5.719 -2.224 243 HH22 ARG 30 HH22 ARG 30 -3.709 6.588 -3.500 244 HA PRO 31 HA PRO 31 -8.509 -0.665 -0.816 245 HB2 PRO 31 HB2 PRO 31 -8.291 -0.979 2.172 246 HB3 PRO 31 HB3 PRO 31 -8.878 -2.134 0.944 247 HG2 PRO 31 HG2 PRO 31 -6.350 -2.343 1.979 248 HG3 PRO 31 HG3 PRO 31 -6.680 -2.634 0.261 249 HD2 PRO 31 HD2 PRO 31 -5.529 -0.178 1.570 250 HD3 PRO 31 HD3 PRO 31 -5.071 -0.978 0.030 251 H SER 32 H SER 32 -8.335 0.819 2.122 252 HA SER 32 HA SER 32 -10.817 2.253 2.147 253 HB2 SER 32 HB2 SER 32 -8.444 2.603 4.022 254 HB3 SER 32 HB3 SER 32 -10.127 3.080 4.335 255 HG SER 32 HG SER 32 -9.688 1.061 5.260 256 H GLY 33 H GLY 33 -10.332 3.383 0.012 257 HA2 GLY 33 HA2 GLY 33 -10.718 5.967 -0.022 258 HA3 GLY 33 HA3 GLY 33 -8.991 6.028 0.357 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -11.240 0.280 -2.210 2 H2 LYS 1 H2 LYS 1 -11.962 -0.272 -3.619 3 H3 LYS 1 H3 LYS 1 -12.192 1.269 -3.077 4 HA LYS 1 HA LYS 1 -10.828 1.627 -4.748 5 HB2 LYS 1 HB2 LYS 1 -10.090 2.440 -2.344 6 HB3 LYS 1 HB3 LYS 1 -8.669 1.458 -2.667 7 HG2 LYS 1 HG2 LYS 1 -8.437 2.659 -4.889 8 HG3 LYS 1 HG3 LYS 1 -9.803 3.692 -4.434 9 HD2 LYS 1 HD2 LYS 1 -7.182 3.419 -2.924 10 HD3 LYS 1 HD3 LYS 1 -7.588 4.753 -4.010 11 HE2 LYS 1 HE2 LYS 1 -9.214 5.650 -2.559 12 HE3 LYS 1 HE3 LYS 1 -9.400 4.156 -1.658 13 HZ1 LYS 1 HZ1 LYS 1 -7.179 4.405 -0.791 14 HZ2 LYS 1 HZ2 LYS 1 -6.912 5.771 -1.635 15 HZ3 LYS 1 HZ3 LYS 1 -8.062 5.768 -0.426 16 H LEU 2 H LEU 2 -8.767 -0.784 -2.911 17 HA LEU 2 HA LEU 2 -7.105 -1.332 -5.047 18 HB2 LEU 2 HB2 LEU 2 -7.964 -3.133 -2.762 19 HB3 LEU 2 HB3 LEU 2 -6.661 -3.488 -3.866 20 HG LEU 2 HG LEU 2 -6.742 -1.342 -1.730 21 HD11 LEU 2 HD11 LEU 2 -6.075 -3.701 -1.202 22 HD12 LEU 2 HD12 LEU 2 -4.756 -3.552 -2.381 23 HD13 LEU 2 HD13 LEU 2 -4.782 -2.518 -0.946 24 HD21 LEU 2 HD21 LEU 2 -4.460 -0.662 -2.459 25 HD22 LEU 2 HD22 LEU 2 -4.675 -1.587 -3.958 26 HD23 LEU 2 HD23 LEU 2 -5.705 -0.178 -3.610 27 HA PRO 3 HA PRO 3 -9.872 -3.805 -7.689 28 HB2 PRO 3 HB2 PRO 3 -7.433 -4.072 -9.398 29 HB3 PRO 3 HB3 PRO 3 -9.064 -3.506 -9.839 30 HG2 PRO 3 HG2 PRO 3 -6.967 -1.773 -9.579 31 HG3 PRO 3 HG3 PRO 3 -8.636 -1.331 -9.095 32 HD2 PRO 3 HD2 PRO 3 -6.353 -2.220 -7.332 33 HD3 PRO 3 HD3 PRO 3 -7.545 -0.917 -7.092 34 HA PRO 4 HA PRO 4 -8.886 -8.126 -7.051 35 HB2 PRO 4 HB2 PRO 4 -8.540 -8.427 -10.043 36 HB3 PRO 4 HB3 PRO 4 -9.389 -9.509 -8.892 37 HG2 PRO 4 HG2 PRO 4 -10.813 -7.763 -10.381 38 HG3 PRO 4 HG3 PRO 4 -11.184 -7.936 -8.633 39 HD2 PRO 4 HD2 PRO 4 -9.550 -5.800 -10.012 40 HD3 PRO 4 HD3 PRO 4 -10.783 -5.621 -8.725 41 H GLY 5 H GLY 5 -7.087 -8.964 -6.238 42 HA2 GLY 5 HA2 GLY 5 -5.022 -9.975 -6.234 43 HA3 GLY 5 HA3 GLY 5 -4.668 -9.286 -7.820 44 H TRP 6 H TRP 6 -5.522 -6.564 -6.189 45 HA TRP 6 HA TRP 6 -2.755 -5.772 -5.683 46 HB2 TRP 6 HB2 TRP 6 -5.432 -4.393 -5.424 47 HB3 TRP 6 HB3 TRP 6 -3.897 -3.639 -4.996 48 HD1 TRP 6 HD1 TRP 6 -5.815 -4.932 -8.052 49 HE1 TRP 6 HE1 TRP 6 -4.848 -3.875 -10.186 50 HE3 TRP 6 HE3 TRP 6 -1.733 -2.657 -6.013 51 HZ2 TRP 6 HZ2 TRP 6 -2.505 -2.367 -10.930 52 HZ3 TRP 6 HZ3 TRP 6 -0.116 -1.521 -7.452 53 HH2 TRP 6 HH2 TRP 6 -0.445 -1.365 -9.907 54 H GLU 7 H GLU 7 -1.682 -6.302 -3.892 55 HA GLU 7 HA GLU 7 -3.149 -6.586 -1.313 56 HB2 GLU 7 HB2 GLU 7 -2.719 -8.645 -2.812 57 HB3 GLU 7 HB3 GLU 7 -1.013 -8.385 -2.487 58 HG2 GLU 7 HG2 GLU 7 -2.312 -8.413 0.056 59 HG3 GLU 7 HG3 GLU 7 -3.110 -9.674 -0.883 60 H LYS 8 H LYS 8 -1.995 -6.057 0.570 61 HA LYS 8 HA LYS 8 -0.098 -4.047 0.374 62 HB2 LYS 8 HB2 LYS 8 -0.266 -3.817 2.662 63 HB3 LYS 8 HB3 LYS 8 -1.836 -4.429 2.184 64 HG2 LYS 8 HG2 LYS 8 0.401 -6.063 3.467 65 HG3 LYS 8 HG3 LYS 8 -0.944 -5.360 4.320 66 HD2 LYS 8 HD2 LYS 8 -2.470 -6.912 3.635 67 HD3 LYS 8 HD3 LYS 8 -1.692 -7.247 2.094 68 HE2 LYS 8 HE2 LYS 8 -0.413 -8.034 4.720 69 HE3 LYS 8 HE3 LYS 8 -1.572 -9.081 3.883 70 HZ1 LYS 8 HZ1 LYS 8 -0.164 -9.267 2.023 71 HZ2 LYS 8 HZ2 LYS 8 0.793 -8.023 2.464 72 HZ3 LYS 8 HZ3 LYS 8 0.841 -9.461 3.307 73 H ARG 9 H ARG 9 1.975 -3.784 0.677 74 HA ARG 9 HA ARG 9 3.821 -5.977 1.543 75 HB2 ARG 9 HB2 ARG 9 4.064 -4.211 -0.929 76 HB3 ARG 9 HB3 ARG 9 5.390 -5.190 -0.301 77 HG2 ARG 9 HG2 ARG 9 2.759 -6.307 -1.335 78 HG3 ARG 9 HG3 ARG 9 4.244 -6.132 -2.280 79 HD2 ARG 9 HD2 ARG 9 5.440 -7.703 -0.941 80 HD3 ARG 9 HD3 ARG 9 4.135 -7.809 0.242 81 HE ARG 9 HE ARG 9 4.223 -9.054 -2.439 82 HH11 ARG 9 HH11 ARG 9 2.034 -8.141 0.196 83 HH12 ARG 9 HH12 ARG 9 1.021 -9.543 -0.076 84 HH21 ARG 9 HH21 ARG 9 2.592 -10.673 -2.879 85 HH22 ARG 9 HH22 ARG 9 1.132 -10.606 -1.880 86 H MET 10 H MET 10 5.807 -5.225 2.442 87 HA MET 10 HA MET 10 5.742 -2.510 3.562 88 HB2 MET 10 HB2 MET 10 6.435 -4.559 4.880 89 HB3 MET 10 HB3 MET 10 7.849 -4.685 3.819 90 HG2 MET 10 HG2 MET 10 8.492 -3.585 5.867 91 HG3 MET 10 HG3 MET 10 8.580 -2.425 4.548 92 HE1 MET 10 HE1 MET 10 7.613 0.041 7.313 93 HE2 MET 10 HE2 MET 10 8.806 -1.280 7.345 94 HE3 MET 10 HE3 MET 10 8.618 -0.284 5.881 95 H PHE 11 H PHE 11 6.982 -0.838 2.926 96 HA PHE 11 HA PHE 11 8.874 -1.139 0.655 97 HB2 PHE 11 HB2 PHE 11 6.913 0.503 0.504 98 HB3 PHE 11 HB3 PHE 11 7.678 1.410 1.786 99 HD1 PHE 11 HD1 PHE 11 8.437 -0.099 -1.584 100 HD2 PHE 11 HD2 PHE 11 9.164 3.150 1.164 101 HE1 PHE 11 HE1 PHE 11 9.822 1.044 -3.293 102 HE2 PHE 11 HE2 PHE 11 10.523 4.300 -0.568 103 HZ PHE 11 HZ PHE 11 10.869 3.243 -2.786 104 H ALA 12 H ALA 12 10.953 -1.292 1.250 105 HA ALA 12 HA ALA 12 11.828 -1.314 3.858 106 HB1 ALA 12 HB1 ALA 12 14.065 -1.558 2.864 107 HB2 ALA 12 HB2 ALA 12 12.861 -2.499 1.965 108 HB3 ALA 12 HB3 ALA 12 13.457 -0.954 1.309 109 H ASN 13 H ASN 13 11.539 1.611 1.956 110 HA ASN 13 HA ASN 13 13.435 3.156 3.521 111 HB2 ASN 13 HB2 ASN 13 12.393 3.532 1.100 112 HB3 ASN 13 HB3 ASN 13 11.135 4.381 2.007 113 HD21 ASN 13 HD22 ASN 13 12.540 5.787 3.950 114 HD22 ASN 13 HD21 ASN 13 13.669 6.866 3.106 115 H GLY 14 H GLY 14 10.456 1.787 4.413 116 HA2 GLY 14 HA2 GLY 14 9.580 2.025 6.617 117 HA3 GLY 14 HA3 GLY 14 10.139 3.701 6.687 118 H THR 15 H THR 15 7.995 1.652 4.589 119 HA THR 15 HA THR 15 5.658 3.325 5.006 120 HB THR 15 HB THR 15 7.324 3.524 2.481 121 HG1 THR 15 HG1 THR 15 7.197 5.003 4.433 122 HG21 THR 15 HG21 THR 15 4.368 4.227 2.644 123 HG22 THR 15 HG22 THR 15 5.496 4.810 1.406 124 HG23 THR 15 HG23 THR 15 5.146 3.086 1.507 125 H VAL 16 H VAL 16 3.813 2.370 3.507 126 HA VAL 16 HA VAL 16 4.348 -0.473 2.808 127 HB VAL 16 HB VAL 16 2.095 0.677 4.437 128 HG11 VAL 16 HG11 VAL 16 1.763 -1.817 2.712 129 HG12 VAL 16 HG12 VAL 16 0.672 -1.277 4.001 130 HG13 VAL 16 HG13 VAL 16 0.853 -0.303 2.543 131 HG21 VAL 16 HG21 VAL 16 3.994 -0.617 5.443 132 HG22 VAL 16 HG22 VAL 16 2.432 -1.423 5.671 133 HG23 VAL 16 HG23 VAL 16 3.550 -2.002 4.417 134 H TYR 17 H TYR 17 3.425 -1.214 0.966 135 HA TYR 17 HA TYR 17 1.944 0.701 -0.743 136 HB2 TYR 17 HB2 TYR 17 3.368 0.509 -2.574 137 HB3 TYR 17 HB3 TYR 17 4.447 0.753 -1.230 138 HD1 TYR 17 HD1 TYR 17 5.778 -1.149 -0.298 139 HD2 TYR 17 HD2 TYR 17 3.411 -1.590 -3.883 140 HE1 TYR 17 HE1 TYR 17 7.156 -3.088 -0.956 141 HE2 TYR 17 HE2 TYR 17 4.786 -3.558 -4.523 142 HH TYR 17 HH TYR 17 7.569 -4.659 -2.603 143 H TYR 18 H TYR 18 1.338 -0.619 -2.876 144 HA TYR 18 HA TYR 18 0.147 -3.185 -1.986 145 HB2 TYR 18 HB2 TYR 18 -1.198 -0.870 -3.427 146 HB3 TYR 18 HB3 TYR 18 -1.938 -2.433 -3.060 147 HD1 TYR 18 HD1 TYR 18 -0.652 0.727 -1.612 148 HD2 TYR 18 HD2 TYR 18 -2.575 -3.038 -0.745 149 HE1 TYR 18 HE1 TYR 18 -0.871 1.387 0.768 150 HE2 TYR 18 HE2 TYR 18 -2.900 -2.334 1.588 151 HH TYR 18 HH TYR 18 -1.484 0.671 2.893 152 H PHE 19 H PHE 19 0.646 -4.790 -3.204 153 HA PHE 19 HA PHE 19 1.876 -4.431 -5.881 154 HB2 PHE 19 HB2 PHE 19 3.337 -5.262 -4.146 155 HB3 PHE 19 HB3 PHE 19 2.131 -6.418 -3.600 156 HD1 PHE 19 HD1 PHE 19 4.700 -5.728 -6.175 157 HD2 PHE 19 HD2 PHE 19 1.791 -8.549 -4.692 158 HE1 PHE 19 HE1 PHE 19 5.705 -7.499 -7.579 159 HE2 PHE 19 HE2 PHE 19 2.874 -10.345 -6.041 160 HZ PHE 19 HZ PHE 19 4.775 -9.807 -7.528 161 H ASN 20 H ASN 20 0.829 -5.341 -7.610 162 HA ASN 20 HA ASN 20 -1.629 -6.869 -7.124 163 HB2 ASN 20 HB2 ASN 20 -1.517 -5.136 -8.889 164 HB3 ASN 20 HB3 ASN 20 -0.308 -6.103 -9.729 165 HD21 ASN 20 HD22 ASN 20 -3.705 -5.938 -8.722 166 HD22 ASN 20 HD21 ASN 20 -4.284 -7.304 -9.620 167 H HIS 21 H HIS 21 -1.178 -8.909 -6.316 168 HA HIS 21 HA HIS 21 1.087 -10.412 -7.293 169 HB2 HIS 21 HB2 HIS 21 0.358 -12.162 -5.766 170 HB3 HIS 21 HB3 HIS 21 0.457 -10.589 -5.006 171 HD1 HIS 21 HD1 HIS 21 -1.248 -10.972 -3.040 172 HD2 HIS 21 HD2 HIS 21 -2.696 -11.985 -6.891 173 HE1 HIS 21 HE1 HIS 21 -3.733 -11.449 -2.811 174 H ILE 22 H ILE 22 -1.478 -9.801 -9.155 175 HA ILE 22 HA ILE 22 -1.442 -12.500 -10.430 176 HB ILE 22 HB ILE 22 -3.240 -10.109 -10.966 177 HG12 ILE 22 HG12 ILE 22 -3.775 -11.017 -8.773 178 HG13 ILE 22 HG13 ILE 22 -5.054 -11.340 -9.920 179 HG21 ILE 22 HG21 ILE 22 -3.286 -12.927 -12.102 180 HG22 ILE 22 HG22 ILE 22 -4.641 -11.781 -12.225 181 HG23 ILE 22 HG23 ILE 22 -3.097 -11.400 -12.981 182 HD11 ILE 22 HD11 ILE 22 -2.985 -13.374 -8.966 183 HD12 ILE 22 HD12 ILE 22 -4.668 -13.248 -8.429 184 HD13 ILE 22 HD13 ILE 22 -4.316 -13.703 -10.104 185 H THR 23 H THR 23 -0.128 -9.281 -10.659 186 HA THR 23 HA THR 23 0.918 -9.862 -13.423 187 HB THR 23 HB THR 23 0.594 -7.476 -13.941 188 HG1 THR 23 HG1 THR 23 -0.926 -7.394 -11.559 189 HG21 THR 23 HG21 THR 23 -2.028 -8.733 -13.020 190 HG22 THR 23 HG22 THR 23 -1.817 -7.424 -14.203 191 HG23 THR 23 HG23 THR 23 -1.215 -9.054 -14.566 192 H ASN 24 H ASN 24 1.732 -8.667 -10.237 193 HA ASN 24 HA ASN 24 3.568 -7.974 -9.289 194 HB2 ASN 24 HB2 ASN 24 5.138 -7.930 -11.880 195 HB3 ASN 24 HB3 ASN 24 5.752 -7.929 -10.239 196 HD21 ASN 24 HD22 ASN 24 4.288 -9.892 -12.745 197 HD22 ASN 24 HD21 ASN 24 4.754 -11.442 -12.013 198 H ALA 25 H ALA 25 1.608 -6.172 -11.185 199 HA ALA 25 HA ALA 25 3.052 -3.696 -11.348 200 HB1 ALA 25 HB1 ALA 25 0.844 -2.690 -11.572 201 HB2 ALA 25 HB2 ALA 25 0.909 -4.187 -12.516 202 HB3 ALA 25 HB3 ALA 25 0.066 -4.161 -10.953 203 H SER 26 H SER 26 2.595 -1.687 -9.877 204 HA SER 26 HA SER 26 1.951 -2.331 -7.087 205 HB2 SER 26 HB2 SER 26 4.771 -1.715 -7.989 206 HB3 SER 26 HB3 SER 26 4.207 -1.470 -6.318 207 HG SER 26 HG SER 26 3.554 -3.895 -7.538 208 H GLN 27 H GLN 27 1.404 -0.627 -5.847 209 HA GLN 27 HA GLN 27 1.790 2.173 -6.771 210 HB2 GLN 27 HB2 GLN 27 -0.870 0.791 -6.166 211 HB3 GLN 27 HB3 GLN 27 -0.666 2.542 -6.198 212 HG2 GLN 27 HG2 GLN 27 -0.019 2.471 -8.568 213 HG3 GLN 27 HG3 GLN 27 -0.208 0.717 -8.588 214 HE21 GLN 27 HE22 GLN 27 -2.422 -0.204 -8.621 215 HE22 GLN 27 HE21 GLN 27 -3.760 0.928 -8.808 216 H PHE 28 H PHE 28 1.574 3.719 -5.054 217 HA PHE 28 HA PHE 28 1.680 2.686 -2.287 218 HB2 PHE 28 HB2 PHE 28 2.095 5.450 -3.473 219 HB3 PHE 28 HB3 PHE 28 2.229 5.058 -1.762 220 HD1 PHE 28 HD1 PHE 28 3.873 3.228 -1.030 221 HD2 PHE 28 HD2 PHE 28 3.988 5.099 -4.908 222 HE1 PHE 28 HE1 PHE 28 6.241 2.537 -1.290 223 HE2 PHE 28 HE2 PHE 28 6.361 4.391 -5.177 224 HZ PHE 28 HZ PHE 28 7.491 3.118 -3.360 225 H GLU 29 H GLU 29 -0.856 3.225 -4.266 226 HA GLU 29 HA GLU 29 -2.416 4.917 -2.504 227 HB2 GLU 29 HB2 GLU 29 -2.560 5.181 -4.932 228 HB3 GLU 29 HB3 GLU 29 -3.322 3.593 -5.052 229 HG2 GLU 29 HG2 GLU 29 -4.944 5.517 -5.073 230 HG3 GLU 29 HG3 GLU 29 -5.231 4.329 -3.805 231 H ARG 30 H ARG 30 -3.267 4.261 -0.748 232 HA ARG 30 HA ARG 30 -3.490 1.470 -0.144 233 HB2 ARG 30 HB2 ARG 30 -3.674 2.233 2.160 234 HB3 ARG 30 HB3 ARG 30 -2.427 3.132 1.334 235 HG2 ARG 30 HG2 ARG 30 -4.820 4.677 1.025 236 HG3 ARG 30 HG3 ARG 30 -4.857 4.051 2.663 237 HD2 ARG 30 HD2 ARG 30 -3.769 6.224 2.681 238 HD3 ARG 30 HD3 ARG 30 -2.587 4.980 3.087 239 HE ARG 30 HE ARG 30 -1.364 5.565 1.208 240 HH11 ARG 30 HH21 ARG 30 -4.578 6.909 0.674 241 HH12 ARG 30 HH22 ARG 30 -4.247 7.125 -1.039 242 HH21 ARG 30 HH11 ARG 30 -1.039 6.064 -0.975 243 HH22 ARG 30 HH12 ARG 30 -2.326 6.989 -1.774 244 HA PRO 31 HA PRO 31 -7.788 0.415 -0.162 245 HB2 PRO 31 HB2 PRO 31 -7.392 -0.120 2.796 246 HB3 PRO 31 HB3 PRO 31 -8.269 -1.115 1.588 247 HG2 PRO 31 HG2 PRO 31 -5.725 -1.769 2.288 248 HG3 PRO 31 HG3 PRO 31 -6.232 -1.812 0.579 249 HD2 PRO 31 HD2 PRO 31 -4.638 0.279 2.025 250 HD3 PRO 31 HD3 PRO 31 -4.463 -0.348 0.351 251 H SER 32 H SER 32 -9.848 0.664 0.934 252 HA SER 32 HA SER 32 -11.369 1.944 2.370 253 HB2 SER 32 HB2 SER 32 -9.813 3.824 2.830 254 HB3 SER 32 HB3 SER 32 -10.005 4.370 1.145 255 HG SER 32 HG SER 32 -11.404 5.361 2.784 256 H GLY 33 H GLY 33 -12.695 3.923 0.845 257 HA2 GLY 33 HA2 GLY 33 -14.051 2.540 -1.290 258 HA3 GLY 33 HA3 GLY 33 -14.070 4.287 -0.986 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -7.836 2.571 -2.280 2 H2 LYS 1 H2 LYS 1 -8.873 3.541 -3.095 3 H3 LYS 1 H3 LYS 1 -7.586 2.877 -3.872 4 HA LYS 1 HA LYS 1 -9.804 1.330 -2.721 5 HB2 LYS 1 HB2 LYS 1 -10.571 0.939 -5.069 6 HB3 LYS 1 HB3 LYS 1 -10.789 2.556 -4.452 7 HG2 LYS 1 HG2 LYS 1 -10.160 2.816 -6.681 8 HG3 LYS 1 HG3 LYS 1 -8.771 3.310 -5.750 9 HD2 LYS 1 HD2 LYS 1 -7.779 0.953 -6.268 10 HD3 LYS 1 HD3 LYS 1 -9.183 0.722 -7.315 11 HE2 LYS 1 HE2 LYS 1 -7.615 1.522 -8.833 12 HE3 LYS 1 HE3 LYS 1 -8.437 3.020 -8.362 13 HZ1 LYS 1 HZ1 LYS 1 -6.581 3.224 -6.629 14 HZ2 LYS 1 HZ2 LYS 1 -5.798 2.024 -7.410 15 HZ3 LYS 1 HZ3 LYS 1 -6.123 3.471 -8.155 16 H LEU 2 H LEU 2 -9.899 -0.985 -3.687 17 HA LEU 2 HA LEU 2 -7.200 -1.917 -4.470 18 HB2 LEU 2 HB2 LEU 2 -7.680 -2.044 -1.954 19 HB3 LEU 2 HB3 LEU 2 -8.888 -3.260 -2.331 20 HG LEU 2 HG LEU 2 -7.025 -4.644 -3.382 21 HD11 LEU 2 HD11 LEU 2 -5.246 -2.496 -2.155 22 HD12 LEU 2 HD12 LEU 2 -4.730 -4.060 -2.821 23 HD13 LEU 2 HD13 LEU 2 -5.415 -2.844 -3.884 24 HD21 LEU 2 HD21 LEU 2 -6.627 -3.917 -0.466 25 HD22 LEU 2 HD22 LEU 2 -7.808 -5.077 -1.108 26 HD23 LEU 2 HD23 LEU 2 -6.078 -5.391 -1.286 27 HA PRO 3 HA PRO 3 -10.014 -4.395 -7.045 28 HB2 PRO 3 HB2 PRO 3 -7.699 -4.749 -8.854 29 HB3 PRO 3 HB3 PRO 3 -9.294 -4.039 -9.192 30 HG2 PRO 3 HG2 PRO 3 -7.007 -2.510 -9.030 31 HG3 PRO 3 HG3 PRO 3 -8.618 -1.909 -8.528 32 HD2 PRO 3 HD2 PRO 3 -6.414 -3.017 -6.771 33 HD3 PRO 3 HD3 PRO 3 -7.425 -1.564 -6.560 34 HA PRO 4 HA PRO 4 -8.816 -8.656 -6.241 35 HB2 PRO 4 HB2 PRO 4 -8.894 -9.150 -9.223 36 HB3 PRO 4 HB3 PRO 4 -9.608 -10.125 -7.900 37 HG2 PRO 4 HG2 PRO 4 -11.172 -8.468 -9.357 38 HG3 PRO 4 HG3 PRO 4 -11.358 -8.525 -7.573 39 HD2 PRO 4 HD2 PRO 4 -9.861 -6.493 -9.243 40 HD3 PRO 4 HD3 PRO 4 -10.970 -6.226 -7.862 41 H GLY 5 H GLY 5 -6.936 -9.791 -5.937 42 HA2 GLY 5 HA2 GLY 5 -4.828 -10.634 -6.277 43 HA3 GLY 5 HA3 GLY 5 -4.770 -9.854 -7.859 44 H TRP 6 H TRP 6 -5.502 -7.319 -5.831 45 HA TRP 6 HA TRP 6 -2.691 -6.469 -5.601 46 HB2 TRP 6 HB2 TRP 6 -5.331 -5.084 -5.094 47 HB3 TRP 6 HB3 TRP 6 -3.739 -4.363 -4.859 48 HD1 TRP 6 HD1 TRP 6 -5.948 -5.667 -7.715 49 HE1 TRP 6 HE1 TRP 6 -5.260 -4.472 -9.893 50 HE3 TRP 6 HE3 TRP 6 -1.789 -3.296 -6.001 51 HZ2 TRP 6 HZ2 TRP 6 -3.149 -2.686 -10.762 52 HZ3 TRP 6 HZ3 TRP 6 -0.427 -1.948 -7.521 53 HH2 TRP 6 HH2 TRP 6 -1.072 -1.572 -9.860 54 H GLU 7 H GLU 7 -1.518 -6.833 -3.858 55 HA GLU 7 HA GLU 7 -2.849 -7.514 -1.278 56 HB2 GLU 7 HB2 GLU 7 -1.941 -9.324 -2.804 57 HB3 GLU 7 HB3 GLU 7 -0.348 -8.599 -2.611 58 HG2 GLU 7 HG2 GLU 7 -1.124 -8.976 0.019 59 HG3 GLU 7 HG3 GLU 7 -1.930 -10.328 -0.773 60 H LYS 8 H LYS 8 -2.036 -6.611 0.583 61 HA LYS 8 HA LYS 8 -0.424 -4.386 0.710 62 HB2 LYS 8 HB2 LYS 8 -0.604 -4.535 3.011 63 HB3 LYS 8 HB3 LYS 8 -2.064 -5.311 2.439 64 HG2 LYS 8 HG2 LYS 8 0.423 -6.703 3.546 65 HG3 LYS 8 HG3 LYS 8 -1.053 -6.409 4.415 66 HD2 LYS 8 HD2 LYS 8 -2.214 -8.114 3.453 67 HD3 LYS 8 HD3 LYS 8 -1.381 -8.031 1.919 68 HE2 LYS 8 HE2 LYS 8 -0.042 -9.042 4.436 69 HE3 LYS 8 HE3 LYS 8 -0.938 -10.103 3.341 70 HZ1 LYS 8 HZ1 LYS 8 0.653 -9.724 1.603 71 HZ2 LYS 8 HZ2 LYS 8 1.229 -8.403 2.288 72 HZ3 LYS 8 HZ3 LYS 8 1.566 -9.891 2.951 73 H ARG 9 H ARG 9 1.673 -3.948 0.738 74 HA ARG 9 HA ARG 9 3.664 -5.959 1.674 75 HB2 ARG 9 HB2 ARG 9 3.879 -4.423 -0.947 76 HB3 ARG 9 HB3 ARG 9 5.184 -5.369 -0.235 77 HG2 ARG 9 HG2 ARG 9 2.536 -6.474 -1.252 78 HG3 ARG 9 HG3 ARG 9 4.077 -6.511 -2.095 79 HD2 ARG 9 HD2 ARG 9 5.034 -8.033 -0.462 80 HD3 ARG 9 HD3 ARG 9 3.614 -7.896 0.569 81 HE ARG 9 HE ARG 9 2.464 -9.419 -0.717 82 HH11 ARG 9 HH12 ARG 9 5.274 -8.455 -2.588 83 HH12 ARG 9 HH11 ARG 9 4.928 -9.572 -3.882 84 HH21 ARG 9 HH21 ARG 9 2.038 -10.809 -2.398 85 HH22 ARG 9 HH22 ARG 9 3.228 -11.021 -3.668 86 H MET 10 H MET 10 5.740 -5.008 2.242 87 HA MET 10 HA MET 10 5.448 -2.234 3.284 88 HB2 MET 10 HB2 MET 10 7.271 -4.544 4.058 89 HB3 MET 10 HB3 MET 10 7.437 -2.894 4.679 90 HG2 MET 10 HG2 MET 10 5.159 -2.967 5.589 91 HG3 MET 10 HG3 MET 10 4.950 -4.617 4.983 92 HE1 MET 10 HE1 MET 10 5.115 -5.019 8.896 93 HE2 MET 10 HE2 MET 10 4.435 -3.640 8.001 94 HE3 MET 10 HE3 MET 10 4.148 -5.304 7.431 95 H PHE 11 H PHE 11 6.688 -0.631 2.584 96 HA PHE 11 HA PHE 11 8.732 -1.096 0.493 97 HB2 PHE 11 HB2 PHE 11 6.934 0.608 0.144 98 HB3 PHE 11 HB3 PHE 11 7.483 1.457 1.579 99 HD1 PHE 11 HD2 PHE 11 8.961 0.003 -1.576 100 HD2 PHE 11 HD1 PHE 11 8.799 3.370 1.120 101 HE1 PHE 11 HE2 PHE 11 10.561 1.242 -3.019 102 HE2 PHE 11 HE1 PHE 11 10.364 4.615 -0.352 103 HZ PHE 11 HZ PHE 11 11.259 3.549 -2.406 104 H ALA 12 H ALA 12 10.824 -1.181 1.081 105 HA ALA 12 HA ALA 12 11.635 -1.352 3.704 106 HB1 ALA 12 HB1 ALA 12 13.321 -0.837 1.219 107 HB2 ALA 12 HB2 ALA 12 13.895 -1.531 2.751 108 HB3 ALA 12 HB3 ALA 12 12.718 -2.421 1.770 109 H ASN 13 H ASN 13 11.356 1.679 1.984 110 HA ASN 13 HA ASN 13 13.199 3.138 3.704 111 HB2 ASN 13 HB2 ASN 13 12.251 3.660 1.275 112 HB3 ASN 13 HB3 ASN 13 10.937 4.426 2.181 113 HD21 ASN 13 HD22 ASN 13 12.258 5.719 4.275 114 HD22 ASN 13 HD21 ASN 13 13.390 6.873 3.540 115 H GLY 14 H GLY 14 10.184 1.697 4.367 116 HA2 GLY 14 HA2 GLY 14 9.221 1.760 6.537 117 HA3 GLY 14 HA3 GLY 14 9.762 3.429 6.759 118 H THR 15 H THR 15 7.667 1.504 4.496 119 HA THR 15 HA THR 15 5.346 3.172 5.043 120 HB THR 15 HB THR 15 6.841 3.392 2.407 121 HG1 THR 15 HG1 THR 15 6.891 4.826 4.458 122 HG21 THR 15 HG21 THR 15 4.977 4.831 1.582 123 HG22 THR 15 HG22 THR 15 4.560 3.120 1.632 124 HG23 THR 15 HG23 THR 15 3.955 4.228 2.899 125 H VAL 16 H VAL 16 3.433 2.287 3.591 126 HA VAL 16 HA VAL 16 3.875 -0.547 2.826 127 HB VAL 16 HB VAL 16 1.757 0.603 4.626 128 HG11 VAL 16 HG11 VAL 16 0.349 -0.313 2.832 129 HG12 VAL 16 HG12 VAL 16 1.269 -1.838 2.860 130 HG13 VAL 16 HG13 VAL 16 0.292 -1.350 4.256 131 HG21 VAL 16 HG21 VAL 16 3.706 -0.739 5.470 132 HG22 VAL 16 HG22 VAL 16 2.147 -1.513 5.806 133 HG23 VAL 16 HG23 VAL 16 3.155 -2.103 4.465 134 H TYR 17 H TYR 17 2.828 -1.255 1.055 135 HA TYR 17 HA TYR 17 1.179 0.594 -0.542 136 HB2 TYR 17 HB2 TYR 17 2.522 0.461 -2.489 137 HB3 TYR 17 HB3 TYR 17 3.587 0.945 -1.194 138 HD1 TYR 17 HD1 TYR 17 5.176 -0.790 -0.175 139 HD2 TYR 17 HD2 TYR 17 2.909 -1.530 -3.773 140 HE1 TYR 17 HE1 TYR 17 6.755 -2.627 -0.809 141 HE2 TYR 17 HE2 TYR 17 4.497 -3.308 -4.410 142 HH TYR 17 HH TYR 17 6.476 -4.355 -3.896 143 H TYR 18 H TYR 18 0.508 -0.734 -2.649 144 HA TYR 18 HA TYR 18 -0.073 -3.541 -1.860 145 HB2 TYR 18 HB2 TYR 18 -1.829 -1.439 -3.140 146 HB3 TYR 18 HB3 TYR 18 -2.183 -3.165 -3.217 147 HD1 TYR 18 HD2 TYR 18 -1.544 -0.365 -0.772 148 HD2 TYR 18 HD1 TYR 18 -3.163 -4.320 -1.385 149 HE1 TYR 18 HE2 TYR 18 -2.248 -0.459 1.599 150 HE2 TYR 18 HE1 TYR 18 -4.125 -4.300 0.841 151 HH TYR 18 HH TYR 18 -4.147 -3.193 2.917 152 H PHE 19 H PHE 19 0.549 -5.066 -3.138 153 HA PHE 19 HA PHE 19 1.802 -4.471 -5.779 154 HB2 PHE 19 HB2 PHE 19 3.298 -5.269 -4.023 155 HB3 PHE 19 HB3 PHE 19 2.196 -6.571 -3.618 156 HD1 PHE 19 HD1 PHE 19 2.045 -8.614 -4.972 157 HD2 PHE 19 HD2 PHE 19 4.768 -5.430 -6.006 158 HE1 PHE 19 HE1 PHE 19 3.326 -10.164 -6.445 159 HE2 PHE 19 HE2 PHE 19 5.998 -6.972 -7.496 160 HZ PHE 19 HZ PHE 19 5.259 -9.334 -7.745 161 H ASN 20 H ASN 20 0.862 -5.401 -7.584 162 HA ASN 20 HA ASN 20 -1.459 -7.163 -7.163 163 HB2 ASN 20 HB2 ASN 20 -1.539 -5.338 -8.832 164 HB3 ASN 20 HB3 ASN 20 -0.255 -6.139 -9.732 165 HD21 ASN 20 HD22 ASN 20 -3.695 -6.401 -8.709 166 HD22 ASN 20 HD21 ASN 20 -4.039 -7.745 -9.767 167 H HIS 21 H HIS 21 -0.867 -9.205 -6.517 168 HA HIS 21 HA HIS 21 1.530 -10.438 -7.607 169 HB2 HIS 21 HB2 HIS 21 1.000 -12.329 -6.158 170 HB3 HIS 21 HB3 HIS 21 1.044 -10.795 -5.323 171 HD1 HIS 21 HD1 HIS 21 -0.469 -11.428 -3.293 172 HD2 HIS 21 HD2 HIS 21 -2.157 -12.210 -7.099 173 HE1 HIS 21 HE1 HIS 21 -2.919 -12.048 -2.925 174 H ILE 22 H ILE 22 -1.132 -9.935 -9.331 175 HA ILE 22 HA ILE 22 -0.966 -12.545 -10.762 176 HB ILE 22 HB ILE 22 -2.916 -10.235 -11.142 177 HG12 ILE 22 HG12 ILE 22 -3.304 -12.918 -9.737 178 HG13 ILE 22 HG13 ILE 22 -3.246 -11.339 -8.956 179 HG21 ILE 22 HG21 ILE 22 -2.907 -13.041 -12.335 180 HG22 ILE 22 HG22 ILE 22 -4.189 -11.828 -12.552 181 HG23 ILE 22 HG23 ILE 22 -2.606 -11.530 -13.217 182 HD11 ILE 22 HD11 ILE 22 -5.293 -10.654 -10.232 183 HD12 ILE 22 HD12 ILE 22 -5.444 -12.345 -10.780 184 HD13 ILE 22 HD13 ILE 22 -5.524 -11.964 -9.057 185 H THR 23 H THR 23 0.108 -9.214 -10.864 186 HA THR 23 HA THR 23 1.181 -9.581 -13.648 187 HB THR 23 HB THR 23 0.588 -7.237 -14.092 188 HG1 THR 23 HG1 THR 23 -0.836 -7.367 -11.653 189 HG21 THR 23 HG21 THR 23 -1.086 -8.965 -14.699 190 HG22 THR 23 HG22 THR 23 -1.880 -8.742 -13.126 191 HG23 THR 23 HG23 THR 23 -1.816 -7.401 -14.287 192 H ASN 24 H ASN 24 2.053 -8.676 -10.423 193 HA ASN 24 HA ASN 24 3.808 -7.743 -9.507 194 HB2 ASN 24 HB2 ASN 24 5.012 -9.088 -11.398 195 HB3 ASN 24 HB3 ASN 24 5.305 -7.510 -12.121 196 HD21 ASN 24 HD22 ASN 24 6.200 -5.864 -10.303 197 HD22 ASN 24 HD21 ASN 24 7.622 -6.565 -9.496 198 H ALA 25 H ALA 25 1.603 -6.070 -11.202 199 HA ALA 25 HA ALA 25 2.847 -3.471 -11.335 200 HB1 ALA 25 HB1 ALA 25 0.568 -2.638 -11.457 201 HB2 ALA 25 HB2 ALA 25 0.711 -4.090 -12.458 202 HB3 ALA 25 HB3 ALA 25 -0.081 -4.181 -10.872 203 H SER 26 H SER 26 2.147 -1.577 -9.771 204 HA SER 26 HA SER 26 1.662 -2.407 -7.009 205 HB2 SER 26 HB2 SER 26 4.351 -1.337 -7.881 206 HB3 SER 26 HB3 SER 26 3.762 -1.241 -6.204 207 HG SER 26 HG SER 26 3.462 -3.691 -7.504 208 H GLN 27 H GLN 27 0.815 -0.920 -5.766 209 HA GLN 27 HA GLN 27 0.323 1.853 -6.736 210 HB2 GLN 27 HB2 GLN 27 -1.512 0.338 -7.366 211 HB3 GLN 27 HB3 GLN 27 -1.582 -0.312 -5.722 212 HG2 GLN 27 HG2 GLN 27 -2.219 1.993 -4.931 213 HG3 GLN 27 HG3 GLN 27 -2.345 2.490 -6.621 214 HE21 GLN 27 HE22 GLN 27 -4.002 1.170 -3.945 215 HE22 GLN 27 HE21 GLN 27 -5.449 0.648 -4.750 216 H PHE 28 H PHE 28 1.013 3.278 -5.142 217 HA PHE 28 HA PHE 28 1.236 2.404 -2.337 218 HB2 PHE 28 HB2 PHE 28 2.082 4.826 -3.908 219 HB3 PHE 28 HB3 PHE 28 1.950 4.914 -2.159 220 HD1 PHE 28 HD2 PHE 28 3.416 2.553 -4.747 221 HD2 PHE 28 HD1 PHE 28 3.812 4.397 -0.863 222 HE1 PHE 28 HE2 PHE 28 5.588 1.431 -4.434 223 HE2 PHE 28 HE1 PHE 28 6.009 3.289 -0.575 224 HZ PHE 28 HZ PHE 28 6.901 1.805 -2.362 225 H GLU 29 H GLU 29 -1.212 3.866 -4.249 226 HA GLU 29 HA GLU 29 -2.692 5.286 -2.230 227 HB2 GLU 29 HB2 GLU 29 -3.039 5.576 -4.648 228 HB3 GLU 29 HB3 GLU 29 -3.456 3.883 -4.808 229 HG2 GLU 29 HG2 GLU 29 -5.361 4.636 -2.997 230 HG3 GLU 29 HG3 GLU 29 -5.117 6.161 -3.854 231 H ARG 30 H ARG 30 -3.380 4.316 -0.377 232 HA ARG 30 HA ARG 30 -3.688 1.492 -0.162 233 HB2 ARG 30 HB2 ARG 30 -3.928 1.816 2.111 234 HB3 ARG 30 HB3 ARG 30 -2.893 3.133 1.623 235 HG2 ARG 30 HG2 ARG 30 -5.891 3.344 2.170 236 HG3 ARG 30 HG3 ARG 30 -4.600 3.696 3.301 237 HD2 ARG 30 HD2 ARG 30 -5.255 5.791 2.569 238 HD3 ARG 30 HD3 ARG 30 -3.774 5.472 1.657 239 HE ARG 30 HE ARG 30 -6.075 4.681 0.084 240 HH11 ARG 30 HH12 ARG 30 -4.506 7.599 1.215 241 HH12 ARG 30 HH11 ARG 30 -5.183 8.579 -0.062 242 HH21 ARG 30 HH21 ARG 30 -7.077 6.037 -1.446 243 HH22 ARG 30 HH22 ARG 30 -6.524 7.673 -1.576 244 HA PRO 31 HA PRO 31 -7.723 0.430 -1.096 245 HB2 PRO 31 HB2 PRO 31 -8.169 -0.585 1.715 246 HB3 PRO 31 HB3 PRO 31 -8.554 -1.406 0.168 247 HG2 PRO 31 HG2 PRO 31 -6.268 -2.066 1.461 248 HG3 PRO 31 HG3 PRO 31 -6.211 -1.741 -0.292 249 HD2 PRO 31 HD2 PRO 31 -5.448 0.120 1.936 250 HD3 PRO 31 HD3 PRO 31 -4.620 -0.254 0.389 251 H SER 32 H SER 32 -7.689 1.985 1.812 252 HA SER 32 HA SER 32 -10.490 2.847 1.988 253 HB2 SER 32 HB2 SER 32 -9.873 4.111 3.944 254 HB3 SER 32 HB3 SER 32 -9.081 2.525 4.027 255 HG SER 32 HG SER 32 -7.893 4.820 2.902 256 H GLY 33 H GLY 33 -10.903 3.833 0.008 257 HA2 GLY 33 HA2 GLY 33 -11.345 5.947 -1.088 258 HA3 GLY 33 HA3 GLY 33 -9.812 6.583 -0.447 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -12.994 0.288 -0.521 2 H2 LYS 1 H2 LYS 1 -12.372 1.446 -1.557 3 H3 LYS 1 H3 LYS 1 -11.389 0.422 -0.704 4 HA LYS 1 HA LYS 1 -12.425 -1.455 -1.797 5 HB2 LYS 1 HB2 LYS 1 -14.435 -0.167 -2.612 6 HB3 LYS 1 HB3 LYS 1 -13.393 0.482 -3.889 7 HG2 LYS 1 HG2 LYS 1 -14.484 -1.472 -4.790 8 HG3 LYS 1 HG3 LYS 1 -12.809 -1.915 -4.512 9 HD2 LYS 1 HD2 LYS 1 -13.983 -2.674 -2.088 10 HD3 LYS 1 HD3 LYS 1 -15.319 -2.867 -3.201 11 HE2 LYS 1 HE2 LYS 1 -14.220 -4.963 -3.021 12 HE3 LYS 1 HE3 LYS 1 -13.852 -4.341 -4.638 13 HZ1 LYS 1 HZ1 LYS 1 -11.926 -5.286 -3.327 14 HZ2 LYS 1 HZ2 LYS 1 -11.655 -3.784 -3.918 15 HZ3 LYS 1 HZ3 LYS 1 -12.023 -3.987 -2.312 16 H LEU 2 H LEU 2 -10.489 -2.246 -2.029 17 HA LEU 2 HA LEU 2 -8.505 -0.954 -3.704 18 HB2 LEU 2 HB2 LEU 2 -7.096 -2.838 -3.210 19 HB3 LEU 2 HB3 LEU 2 -7.889 -2.224 -1.776 20 HG LEU 2 HG LEU 2 -9.580 -4.203 -2.097 21 HD11 LEU 2 HD11 LEU 2 -8.998 -5.113 -4.249 22 HD12 LEU 2 HD12 LEU 2 -7.278 -5.080 -3.862 23 HD13 LEU 2 HD13 LEU 2 -8.355 -6.240 -3.061 24 HD21 LEU 2 HD21 LEU 2 -7.904 -3.988 -0.270 25 HD22 LEU 2 HD22 LEU 2 -8.157 -5.661 -0.779 26 HD23 LEU 2 HD23 LEU 2 -6.705 -4.795 -1.314 27 HA PRO 3 HA PRO 3 -9.875 -2.759 -7.547 28 HB2 PRO 3 HB2 PRO 3 -7.598 -2.396 -9.110 29 HB3 PRO 3 HB3 PRO 3 -8.773 -1.128 -8.671 30 HG2 PRO 3 HG2 PRO 3 -6.079 -1.682 -7.455 31 HG3 PRO 3 HG3 PRO 3 -6.870 -0.120 -7.769 32 HD2 PRO 3 HD2 PRO 3 -6.781 -1.402 -5.305 33 HD3 PRO 3 HD3 PRO 3 -8.038 -0.224 -5.784 34 HA PRO 4 HA PRO 4 -9.151 -6.984 -8.056 35 HB2 PRO 4 HB2 PRO 4 -8.109 -6.495 -10.859 36 HB3 PRO 4 HB3 PRO 4 -9.238 -7.764 -10.280 37 HG2 PRO 4 HG2 PRO 4 -10.217 -5.524 -11.421 38 HG3 PRO 4 HG3 PRO 4 -10.970 -6.148 -9.916 39 HD2 PRO 4 HD2 PRO 4 -9.019 -3.871 -10.247 40 HD3 PRO 4 HD3 PRO 4 -10.469 -3.982 -9.206 41 H GLY 5 H GLY 5 -7.661 -7.835 -6.741 42 HA2 GLY 5 HA2 GLY 5 -5.831 -9.102 -6.241 43 HA3 GLY 5 HA3 GLY 5 -5.189 -8.801 -7.855 44 H TRP 6 H TRP 6 -5.815 -5.818 -6.292 45 HA TRP 6 HA TRP 6 -2.951 -5.352 -5.840 46 HB2 TRP 6 HB2 TRP 6 -5.425 -3.610 -5.704 47 HB3 TRP 6 HB3 TRP 6 -3.808 -3.053 -5.310 48 HD1 TRP 6 HD1 TRP 6 -5.854 -4.215 -8.335 49 HE1 TRP 6 HE1 TRP 6 -4.712 -3.410 -10.484 50 HE3 TRP 6 HE3 TRP 6 -1.447 -2.625 -6.322 51 HZ2 TRP 6 HZ2 TRP 6 -2.155 -2.290 -11.246 52 HZ3 TRP 6 HZ3 TRP 6 0.348 -1.812 -7.778 53 HH2 TRP 6 HH2 TRP 6 0.030 -1.593 -10.222 54 H GLU 7 H GLU 7 -2.007 -6.000 -4.022 55 HA GLU 7 HA GLU 7 -3.623 -6.260 -1.548 56 HB2 GLU 7 HB2 GLU 7 -2.830 -8.277 -2.838 57 HB3 GLU 7 HB3 GLU 7 -1.170 -7.766 -2.513 58 HG2 GLU 7 HG2 GLU 7 -1.752 -7.877 -0.022 59 HG3 GLU 7 HG3 GLU 7 -3.288 -8.624 -0.497 60 H LYS 8 H LYS 8 -2.956 -5.331 0.282 61 HA LYS 8 HA LYS 8 -1.114 -3.228 0.321 62 HB2 LYS 8 HB2 LYS 8 -3.137 -3.411 1.620 63 HB3 LYS 8 HB3 LYS 8 -2.485 -4.755 2.573 64 HG2 LYS 8 HG2 LYS 8 -0.994 -3.370 3.736 65 HG3 LYS 8 HG3 LYS 8 -0.995 -2.143 2.470 66 HD2 LYS 8 HD2 LYS 8 -2.100 -1.451 4.586 67 HD3 LYS 8 HD3 LYS 8 -3.063 -1.224 3.141 68 HE2 LYS 8 HE2 LYS 8 -3.414 -3.602 5.019 69 HE3 LYS 8 HE3 LYS 8 -4.229 -2.052 5.243 70 HZ1 LYS 8 HZ1 LYS 8 -5.082 -2.351 2.901 71 HZ2 LYS 8 HZ2 LYS 8 -4.579 -3.900 2.984 72 HZ3 LYS 8 HZ3 LYS 8 -5.721 -3.373 4.040 73 H ARG 9 H ARG 9 0.966 -3.034 0.740 74 HA ARG 9 HA ARG 9 2.565 -5.203 1.945 75 HB2 ARG 9 HB2 ARG 9 2.148 -5.204 -0.633 76 HB3 ARG 9 HB3 ARG 9 3.008 -3.676 -0.671 77 HG2 ARG 9 HG2 ARG 9 4.443 -5.380 -1.315 78 HG3 ARG 9 HG3 ARG 9 5.024 -4.858 0.265 79 HD2 ARG 9 HD2 ARG 9 5.169 -7.193 0.380 80 HD3 ARG 9 HD3 ARG 9 3.654 -6.883 1.212 81 HE ARG 9 HE ARG 9 4.046 -8.029 -1.503 82 HH11 ARG 9 HH21 ARG 9 1.335 -7.205 0.837 83 HH12 ARG 9 HH22 ARG 9 0.563 -8.662 0.210 84 HH21 ARG 9 HH11 ARG 9 2.609 -9.647 -2.158 85 HH22 ARG 9 HH12 ARG 9 1.092 -9.753 -1.236 86 H MET 10 H MET 10 4.723 -4.500 2.595 87 HA MET 10 HA MET 10 4.866 -1.618 3.303 88 HB2 MET 10 HB2 MET 10 4.895 -3.750 4.977 89 HB3 MET 10 HB3 MET 10 6.620 -3.627 4.655 90 HG2 MET 10 HG2 MET 10 4.758 -1.463 5.708 91 HG3 MET 10 HG3 MET 10 5.926 -2.368 6.654 92 HE1 MET 10 HE1 MET 10 9.352 -0.875 5.580 93 HE2 MET 10 HE2 MET 10 8.496 -2.036 6.620 94 HE3 MET 10 HE3 MET 10 8.603 -2.313 4.861 95 H PHE 11 H PHE 11 6.300 -0.418 2.267 96 HA PHE 11 HA PHE 11 8.305 -1.533 0.442 97 HB2 PHE 11 HB2 PHE 11 6.834 0.448 -0.110 98 HB3 PHE 11 HB3 PHE 11 7.608 1.345 1.180 99 HD1 PHE 11 HD1 PHE 11 8.468 -0.666 -1.885 100 HD2 PHE 11 HD2 PHE 11 9.365 2.774 0.556 101 HE1 PHE 11 HE1 PHE 11 10.186 0.057 -3.531 102 HE2 PHE 11 HE2 PHE 11 11.059 3.510 -1.115 103 HZ PHE 11 HZ PHE 11 11.479 2.145 -3.143 104 H ALA 12 H ALA 12 10.463 -1.713 0.920 105 HA ALA 12 HA ALA 12 11.329 -1.803 3.518 106 HB1 ALA 12 HB1 ALA 12 13.562 -2.143 2.543 107 HB2 ALA 12 HB2 ALA 12 12.320 -3.006 1.618 108 HB3 ALA 12 HB3 ALA 12 13.001 -1.483 0.992 109 H ASN 13 H ASN 13 11.328 1.156 1.597 110 HA ASN 13 HA ASN 13 13.223 2.536 3.334 111 HB2 ASN 13 HB2 ASN 13 12.537 2.948 0.803 112 HB3 ASN 13 HB3 ASN 13 11.276 3.957 1.527 113 HD21 ASN 13 HD22 ASN 13 12.567 5.271 3.599 114 HD22 ASN 13 HD21 ASN 13 13.911 6.191 2.888 115 H GLY 14 H GLY 14 10.046 1.501 3.916 116 HA2 GLY 14 HA2 GLY 14 8.949 1.838 5.957 117 HA3 GLY 14 HA3 GLY 14 9.747 3.399 6.174 118 H THR 15 H THR 15 7.395 1.769 3.935 119 HA THR 15 HA THR 15 5.382 3.788 4.464 120 HB THR 15 HB THR 15 6.665 3.676 1.702 121 HG1 THR 15 HG1 THR 15 7.202 5.161 3.724 122 HG21 THR 15 HG21 THR 15 4.986 5.464 1.102 123 HG22 THR 15 HG22 THR 15 4.303 3.847 1.259 124 HG23 THR 15 HG23 THR 15 4.084 5.042 2.568 125 H VAL 16 H VAL 16 3.281 3.005 3.783 126 HA VAL 16 HA VAL 16 3.290 0.177 2.848 127 HB VAL 16 HB VAL 16 1.404 1.793 4.522 128 HG11 VAL 16 HG11 VAL 16 0.537 -0.595 2.847 129 HG12 VAL 16 HG12 VAL 16 -0.363 0.078 4.232 130 HG13 VAL 16 HG13 VAL 16 -0.145 1.048 2.777 131 HG21 VAL 16 HG21 VAL 16 1.416 -0.327 5.796 132 HG22 VAL 16 HG22 VAL 16 2.324 -1.122 4.487 133 HG23 VAL 16 HG23 VAL 16 3.081 0.176 5.450 134 H TYR 17 H TYR 17 2.435 -0.484 1.017 135 HA TYR 17 HA TYR 17 1.118 1.418 -0.848 136 HB2 TYR 17 HB2 TYR 17 2.695 1.028 -2.559 137 HB3 TYR 17 HB3 TYR 17 3.649 1.425 -1.159 138 HD1 TYR 17 HD1 TYR 17 4.814 -0.518 0.096 139 HD2 TYR 17 HD2 TYR 17 2.928 -1.036 -3.750 140 HE1 TYR 17 HE1 TYR 17 6.266 -2.516 -0.380 141 HE2 TYR 17 HE2 TYR 17 4.329 -3.015 -4.172 142 HH TYR 17 HH TYR 17 6.164 -4.200 -3.498 143 H TYR 18 H TYR 18 0.469 0.054 -2.943 144 HA TYR 18 HA TYR 18 -0.377 -2.682 -2.098 145 HB2 TYR 18 HB2 TYR 18 -1.750 -0.608 -3.794 146 HB3 TYR 18 HB3 TYR 18 -2.111 -2.326 -3.953 147 HD1 TYR 18 HD1 TYR 18 -1.518 -0.044 -0.994 148 HD2 TYR 18 HD2 TYR 18 -4.236 -2.793 -2.918 149 HE1 TYR 18 HE1 TYR 18 -2.867 -0.027 0.960 150 HE2 TYR 18 HE2 TYR 18 -5.663 -2.725 -0.913 151 HH TYR 18 HH TYR 18 -5.810 -0.614 1.176 152 H PHE 19 H PHE 19 0.212 -4.386 -3.126 153 HA PHE 19 HA PHE 19 1.891 -4.272 -5.584 154 HB2 PHE 19 HB2 PHE 19 3.111 -5.094 -3.704 155 HB3 PHE 19 HB3 PHE 19 1.751 -6.008 -3.100 156 HD1 PHE 19 HD2 PHE 19 4.522 -5.967 -5.531 157 HD2 PHE 19 HD1 PHE 19 1.153 -8.264 -4.070 158 HE1 PHE 19 HE2 PHE 19 5.382 -7.979 -6.675 159 HE2 PHE 19 HE1 PHE 19 2.060 -10.269 -5.161 160 HZ PHE 19 HZ PHE 19 4.146 -10.138 -6.509 161 H ASN 20 H ASN 20 1.007 -5.214 -7.418 162 HA ASN 20 HA ASN 20 -1.650 -6.450 -7.151 163 HB2 ASN 20 HB2 ASN 20 -1.155 -4.845 -8.985 164 HB3 ASN 20 HB3 ASN 20 0.015 -5.992 -9.632 165 HD21 ASN 20 HD22 ASN 20 -3.462 -5.451 -8.951 166 HD22 ASN 20 HD21 ASN 20 -4.049 -6.795 -9.861 167 H HIS 21 H HIS 21 -1.653 -8.513 -6.355 168 HA HIS 21 HA HIS 21 0.595 -10.251 -6.847 169 HB2 HIS 21 HB2 HIS 21 -0.465 -11.780 -5.378 170 HB3 HIS 21 HB3 HIS 21 -0.591 -10.172 -4.738 171 HD1 HIS 21 HD1 HIS 21 -2.637 -10.864 -3.161 172 HD2 HIS 21 HD2 HIS 21 -3.277 -11.450 -7.302 173 HE1 HIS 21 HE1 HIS 21 -5.128 -11.249 -3.495 174 H ILE 22 H ILE 22 -1.742 -9.514 -9.077 175 HA ILE 22 HA ILE 22 -1.849 -12.239 -10.262 176 HB ILE 22 HB ILE 22 -3.082 -9.647 -11.282 177 HG12 ILE 22 HG12 ILE 22 -4.418 -11.821 -9.613 178 HG13 ILE 22 HG13 ILE 22 -4.001 -10.201 -9.051 179 HG21 ILE 22 HG21 ILE 22 -2.815 -11.388 -13.020 180 HG22 ILE 22 HG22 ILE 22 -3.660 -12.557 -11.985 181 HG23 ILE 22 HG23 ILE 22 -4.502 -11.140 -12.651 182 HD11 ILE 22 HD11 ILE 22 -6.329 -10.202 -9.509 183 HD12 ILE 22 HD12 ILE 22 -5.537 -9.214 -10.752 184 HD13 ILE 22 HD13 ILE 22 -6.101 -10.864 -11.130 185 H THR 23 H THR 23 -0.217 -9.152 -10.569 186 HA THR 23 HA THR 23 1.196 -10.029 -13.078 187 HB THR 23 HB THR 23 1.138 -7.653 -13.742 188 HG1 THR 23 HG1 THR 23 -0.582 -7.278 -11.522 189 HG21 THR 23 HG21 THR 23 -1.685 -8.556 -13.033 190 HG22 THR 23 HG22 THR 23 -1.203 -7.368 -14.259 191 HG23 THR 23 HG23 THR 23 -0.769 -9.076 -14.463 192 H ASN 24 H ASN 24 1.750 -9.180 -9.848 193 HA ASN 24 HA ASN 24 3.322 -8.375 -8.639 194 HB2 ASN 24 HB2 ASN 24 5.580 -8.940 -8.945 195 HB3 ASN 24 HB3 ASN 24 4.610 -10.264 -9.577 196 HD21 ASN 24 HD22 ASN 24 6.119 -7.208 -10.783 197 HD22 ASN 24 HD21 ASN 24 6.791 -8.004 -12.225 198 H ALA 25 H ALA 25 2.016 -6.526 -10.770 199 HA ALA 25 HA ALA 25 3.867 -4.320 -10.938 200 HB1 ALA 25 HB1 ALA 25 0.818 -4.308 -10.938 201 HB2 ALA 25 HB2 ALA 25 1.888 -3.024 -11.527 202 HB3 ALA 25 HB3 ALA 25 1.841 -4.585 -12.362 203 H SER 26 H SER 26 3.258 -2.109 -9.733 204 HA SER 26 HA SER 26 2.325 -2.474 -6.976 205 HB2 SER 26 HB2 SER 26 5.242 -1.976 -7.641 206 HB3 SER 26 HB3 SER 26 4.515 -1.583 -6.066 207 HG SER 26 HG SER 26 3.932 -4.101 -7.113 208 H GLN 27 H GLN 27 1.581 -0.641 -6.079 209 HA GLN 27 HA GLN 27 2.028 1.944 -7.462 210 HB2 GLN 27 HB2 GLN 27 -0.004 0.633 -8.273 211 HB3 GLN 27 HB3 GLN 27 -0.722 0.889 -6.686 212 HG2 GLN 27 HG2 GLN 27 0.232 3.073 -8.612 213 HG3 GLN 27 HG3 GLN 27 -1.429 2.499 -8.509 214 HE21 GLN 27 HE22 GLN 27 -0.473 5.317 -8.016 215 HE22 GLN 27 HE21 GLN 27 -0.945 5.568 -6.342 216 H PHE 28 H PHE 28 2.484 3.506 -6.095 217 HA PHE 28 HA PHE 28 2.945 2.934 -3.414 218 HB2 PHE 28 HB2 PHE 28 4.104 4.465 -5.294 219 HB3 PHE 28 HB3 PHE 28 3.226 5.727 -4.439 220 HD1 PHE 28 HD2 PHE 28 5.159 2.628 -3.699 221 HD2 PHE 28 HD1 PHE 28 4.429 6.713 -2.639 222 HE1 PHE 28 HE2 PHE 28 6.999 2.500 -1.991 223 HE2 PHE 28 HE1 PHE 28 6.252 6.611 -0.924 224 HZ PHE 28 HZ PHE 28 7.533 4.506 -0.608 225 H GLU 29 H GLU 29 -0.082 3.650 -4.226 226 HA GLU 29 HA GLU 29 -0.559 5.337 -1.834 227 HB2 GLU 29 HB2 GLU 29 -1.400 6.173 -4.026 228 HB3 GLU 29 HB3 GLU 29 -2.493 4.793 -4.096 229 HG2 GLU 29 HG2 GLU 29 -3.481 7.006 -3.321 230 HG3 GLU 29 HG3 GLU 29 -3.818 5.600 -2.318 231 H ARG 30 H ARG 30 -2.620 4.791 -0.555 232 HA ARG 30 HA ARG 30 -2.888 1.846 -0.313 233 HB2 ARG 30 HB2 ARG 30 -2.752 2.040 2.100 234 HB3 ARG 30 HB3 ARG 30 -1.266 2.449 1.271 235 HG2 ARG 30 HG2 ARG 30 -2.943 4.832 1.938 236 HG3 ARG 30 HG3 ARG 30 -2.480 3.856 3.318 237 HD2 ARG 30 HD2 ARG 30 -0.752 5.330 3.272 238 HD3 ARG 30 HD3 ARG 30 -0.050 3.999 2.362 239 HE ARG 30 HE ARG 30 -1.438 6.222 0.888 240 HH11 ARG 30 HH11 ARG 30 1.496 4.281 1.072 241 HH12 ARG 30 HH12 ARG 30 2.074 5.167 -0.296 242 HH21 ARG 30 HH21 ARG 30 -0.322 7.439 -0.617 243 HH22 ARG 30 HH22 ARG 30 1.314 6.948 -0.976 244 HA PRO 31 HA PRO 31 -7.165 3.451 -0.337 245 HB2 PRO 31 HB2 PRO 31 -8.319 1.567 -1.920 246 HB3 PRO 31 HB3 PRO 31 -7.282 2.857 -2.604 247 HG2 PRO 31 HG2 PRO 31 -6.497 0.012 -1.907 248 HG3 PRO 31 HG3 PRO 31 -6.176 0.879 -3.436 249 HD2 PRO 31 HD2 PRO 31 -4.377 0.700 -1.416 250 HD3 PRO 31 HD3 PRO 31 -4.409 2.119 -2.440 251 H SER 32 H SER 32 -9.173 2.531 0.564 252 HA SER 32 HA SER 32 -8.836 0.580 2.683 253 HB2 SER 32 HB2 SER 32 -11.285 0.929 2.941 254 HB3 SER 32 HB3 SER 32 -10.383 2.453 2.908 255 HG SER 32 HG SER 32 -12.170 2.621 1.582 256 H GLY 33 H GLY 33 -10.260 -1.377 2.814 257 HA2 GLY 33 HA2 GLY 33 -9.929 -3.335 0.887 258 HA3 GLY 33 HA3 GLY 33 -11.235 -3.310 2.079 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -12.375 -1.033 -1.618 2 H2 LYS 1 H2 LYS 1 -13.631 -1.419 -0.621 3 H3 LYS 1 H3 LYS 1 -13.472 -2.138 -2.117 4 HA LYS 1 HA LYS 1 -11.564 -2.427 0.079 5 HB2 LYS 1 HB2 LYS 1 -13.701 -4.352 -0.924 6 HB3 LYS 1 HB3 LYS 1 -12.356 -4.847 0.091 7 HG2 LYS 1 HG2 LYS 1 -14.540 -2.859 0.838 8 HG3 LYS 1 HG3 LYS 1 -14.365 -4.507 1.432 9 HD2 LYS 1 HD2 LYS 1 -12.489 -2.171 2.001 10 HD3 LYS 1 HD3 LYS 1 -13.635 -2.911 3.119 11 HE2 LYS 1 HE2 LYS 1 -12.378 -5.046 3.039 12 HE3 LYS 1 HE3 LYS 1 -11.245 -4.331 1.867 13 HZ1 LYS 1 HZ1 LYS 1 -10.325 -4.194 4.067 14 HZ2 LYS 1 HZ2 LYS 1 -10.626 -2.697 3.465 15 HZ3 LYS 1 HZ3 LYS 1 -11.625 -3.318 4.614 16 H LEU 2 H LEU 2 -9.756 -3.671 -0.393 17 HA LEU 2 HA LEU 2 -8.442 -3.514 -2.703 18 HB2 LEU 2 HB2 LEU 2 -8.351 -6.086 -1.102 19 HB3 LEU 2 HB3 LEU 2 -7.080 -5.423 -2.109 20 HG LEU 2 HG LEU 2 -8.079 -4.334 0.540 21 HD11 LEU 2 HD11 LEU 2 -5.367 -5.434 -0.248 22 HD12 LEU 2 HD12 LEU 2 -5.868 -4.876 1.365 23 HD13 LEU 2 HD13 LEU 2 -6.611 -6.320 0.651 24 HD21 LEU 2 HD21 LEU 2 -6.303 -2.652 0.402 25 HD22 LEU 2 HD22 LEU 2 -5.853 -3.224 -1.220 26 HD23 LEU 2 HD23 LEU 2 -7.430 -2.433 -0.936 27 HA PRO 3 HA PRO 3 -10.833 -6.067 -5.615 28 HB2 PRO 3 HB2 PRO 3 -8.873 -5.139 -7.664 29 HB3 PRO 3 HB3 PRO 3 -10.645 -4.991 -7.644 30 HG2 PRO 3 HG2 PRO 3 -8.993 -2.846 -7.187 31 HG3 PRO 3 HG3 PRO 3 -10.594 -3.030 -6.400 32 HD2 PRO 3 HD2 PRO 3 -7.867 -3.581 -5.240 33 HD3 PRO 3 HD3 PRO 3 -9.321 -2.843 -4.505 34 HA PRO 4 HA PRO 4 -8.867 -9.941 -6.368 35 HB2 PRO 4 HB2 PRO 4 -8.770 -9.315 -9.332 36 HB3 PRO 4 HB3 PRO 4 -9.170 -10.865 -8.521 37 HG2 PRO 4 HG2 PRO 4 -11.167 -9.241 -9.325 38 HG3 PRO 4 HG3 PRO 4 -11.240 -9.973 -7.689 39 HD2 PRO 4 HD2 PRO 4 -10.413 -7.181 -8.475 40 HD3 PRO 4 HD3 PRO 4 -11.424 -7.710 -7.095 41 H GLY 5 H GLY 5 -6.936 -10.182 -5.535 42 HA2 GLY 5 HA2 GLY 5 -4.700 -10.740 -5.681 43 HA3 GLY 5 HA3 GLY 5 -4.544 -9.840 -7.188 44 H TRP 6 H TRP 6 -5.990 -7.551 -5.221 45 HA TRP 6 HA TRP 6 -3.409 -6.247 -4.839 46 HB2 TRP 6 HB2 TRP 6 -6.258 -5.437 -4.252 47 HB3 TRP 6 HB3 TRP 6 -4.868 -4.460 -3.798 48 HD1 TRP 6 HD1 TRP 6 -6.936 -5.438 -6.757 49 HE1 TRP 6 HE1 TRP 6 -6.237 -4.080 -8.841 50 HE3 TRP 6 HE3 TRP 6 -2.574 -3.499 -4.983 51 HZ2 TRP 6 HZ2 TRP 6 -4.010 -2.434 -9.639 52 HZ3 TRP 6 HZ3 TRP 6 -1.120 -2.116 -6.467 53 HH2 TRP 6 HH2 TRP 6 -1.832 -1.593 -8.771 54 H GLU 7 H GLU 7 -2.123 -6.268 -3.147 55 HA GLU 7 HA GLU 7 -3.230 -6.689 -0.429 56 HB2 GLU 7 HB2 GLU 7 -1.355 -8.163 0.108 57 HB3 GLU 7 HB3 GLU 7 -2.389 -8.835 -1.152 58 HG2 GLU 7 HG2 GLU 7 -0.718 -8.094 -2.878 59 HG3 GLU 7 HG3 GLU 7 0.318 -7.482 -1.582 60 H LYS 8 H LYS 8 -1.901 -5.845 1.279 61 HA LYS 8 HA LYS 8 -0.561 -3.344 0.603 62 HB2 LYS 8 HB2 LYS 8 -2.235 -3.699 2.493 63 HB3 LYS 8 HB3 LYS 8 -1.013 -4.681 3.311 64 HG2 LYS 8 HG2 LYS 8 0.516 -2.712 3.369 65 HG3 LYS 8 HG3 LYS 8 -0.685 -1.759 2.477 66 HD2 LYS 8 HD2 LYS 8 -2.313 -2.174 4.373 67 HD3 LYS 8 HD3 LYS 8 -0.993 -2.968 5.263 68 HE2 LYS 8 HE2 LYS 8 0.350 -0.873 5.078 69 HE3 LYS 8 HE3 LYS 8 -0.993 -0.105 4.214 70 HZ1 LYS 8 HZ1 LYS 8 -2.360 -0.416 6.185 71 HZ2 LYS 8 HZ2 LYS 8 -1.112 -1.122 6.991 72 HZ3 LYS 8 HZ3 LYS 8 -1.021 0.462 6.561 73 H ARG 9 H ARG 9 1.563 -2.884 1.016 74 HA ARG 9 HA ARG 9 3.493 -4.987 1.850 75 HB2 ARG 9 HB2 ARG 9 3.495 -3.400 -0.759 76 HB3 ARG 9 HB3 ARG 9 4.866 -4.351 -0.176 77 HG2 ARG 9 HG2 ARG 9 2.171 -5.501 -0.984 78 HG3 ARG 9 HG3 ARG 9 3.651 -5.460 -1.945 79 HD2 ARG 9 HD2 ARG 9 4.817 -6.773 -0.121 80 HD3 ARG 9 HD3 ARG 9 3.244 -6.955 0.669 81 HE ARG 9 HE ARG 9 2.603 -8.540 -0.936 82 HH11 ARG 9 HH11 ARG 9 5.433 -6.940 -2.293 83 HH12 ARG 9 HH12 ARG 9 5.521 -8.112 -3.592 84 HH21 ARG 9 HH22 ARG 9 2.737 -9.829 -2.398 85 HH22 ARG 9 HH21 ARG 9 3.951 -9.797 -3.706 86 H MET 10 H MET 10 5.795 -3.919 1.860 87 HA MET 10 HA MET 10 5.799 -1.050 2.333 88 HB2 MET 10 HB2 MET 10 5.028 -2.151 4.509 89 HB3 MET 10 HB3 MET 10 6.599 -2.956 4.571 90 HG2 MET 10 HG2 MET 10 7.680 -0.671 4.549 91 HG3 MET 10 HG3 MET 10 6.074 0.041 4.552 92 HE1 MET 10 HE1 MET 10 8.950 -1.516 6.518 93 HE2 MET 10 HE2 MET 10 8.226 -2.031 8.059 94 HE3 MET 10 HE3 MET 10 7.866 -2.927 6.568 95 H PHE 11 H PHE 11 7.754 -0.179 1.945 96 HA PHE 11 HA PHE 11 10.001 -1.829 1.018 97 HB2 PHE 11 HB2 PHE 11 9.511 1.167 1.279 98 HB3 PHE 11 HB3 PHE 11 11.003 0.483 0.672 99 HD1 PHE 11 HD1 PHE 11 10.927 -1.038 -1.405 100 HD2 PHE 11 HD2 PHE 11 7.626 1.474 -0.216 101 HE1 PHE 11 HE1 PHE 11 9.979 -1.188 -3.693 102 HE2 PHE 11 HE2 PHE 11 6.698 1.328 -2.513 103 HZ PHE 11 HZ PHE 11 7.868 -0.000 -4.247 104 H ALA 12 H ALA 12 12.141 -1.671 1.926 105 HA ALA 12 HA ALA 12 12.219 -2.179 4.652 106 HB1 ALA 12 HB1 ALA 12 13.789 -3.055 2.965 107 HB2 ALA 12 HB2 ALA 12 14.495 -1.432 2.766 108 HB3 ALA 12 HB3 ALA 12 14.654 -2.294 4.311 109 H ASN 13 H ASN 13 12.233 1.017 3.291 110 HA ASN 13 HA ASN 13 13.560 2.213 5.635 111 HB2 ASN 13 HB2 ASN 13 13.421 4.249 4.470 112 HB3 ASN 13 HB3 ASN 13 13.872 3.068 3.246 113 HD21 ASN 13 HD22 ASN 13 12.540 5.740 2.916 114 HD22 ASN 13 HD21 ASN 13 10.977 5.385 2.208 115 H GLY 14 H GLY 14 10.480 0.932 5.119 116 HA2 GLY 14 HA2 GLY 14 8.767 1.074 6.728 117 HA3 GLY 14 HA3 GLY 14 9.297 2.681 7.213 118 H THR 15 H THR 15 8.982 2.150 3.723 119 HA THR 15 HA THR 15 6.684 4.049 3.755 120 HB THR 15 HB THR 15 8.153 3.024 1.316 121 HG1 THR 15 HG1 THR 15 9.686 3.961 2.520 122 HG21 THR 15 HG21 THR 15 6.520 5.539 1.830 123 HG22 THR 15 HG22 THR 15 7.382 5.153 0.326 124 HG23 THR 15 HG23 THR 15 6.023 4.142 0.842 125 H VAL 16 H VAL 16 4.665 3.323 3.374 126 HA VAL 16 HA VAL 16 4.317 0.451 2.760 127 HB VAL 16 HB VAL 16 2.814 2.515 4.285 128 HG11 VAL 16 HG11 VAL 16 1.212 0.335 2.888 129 HG12 VAL 16 HG12 VAL 16 0.650 1.429 4.182 130 HG13 VAL 16 HG13 VAL 16 1.057 2.089 2.610 131 HG21 VAL 16 HG21 VAL 16 2.976 -0.527 4.458 132 HG22 VAL 16 HG22 VAL 16 4.036 0.623 5.317 133 HG23 VAL 16 HG23 VAL 16 2.314 0.565 5.700 134 H TYR 17 H TYR 17 3.159 -0.360 1.048 135 HA TYR 17 HA TYR 17 1.788 1.477 -0.773 136 HB2 TYR 17 HB2 TYR 17 3.100 1.036 -2.678 137 HB3 TYR 17 HB3 TYR 17 4.256 1.400 -1.434 138 HD1 TYR 17 HD1 TYR 17 5.512 -0.492 -0.287 139 HD2 TYR 17 HD2 TYR 17 3.123 -1.097 -3.833 140 HE1 TYR 17 HE1 TYR 17 6.771 -2.576 -0.798 141 HE2 TYR 17 HE2 TYR 17 4.325 -3.167 -4.319 142 HH TYR 17 HH TYR 17 6.239 -4.405 -3.795 143 H TYR 18 H TYR 18 0.978 0.031 -2.763 144 HA TYR 18 HA TYR 18 0.010 -2.585 -1.729 145 HB2 TYR 18 HB2 TYR 18 -1.417 -0.401 -3.278 146 HB3 TYR 18 HB3 TYR 18 -2.004 -2.062 -3.199 147 HD1 TYR 18 HD2 TYR 18 -1.135 0.906 -1.101 148 HD2 TYR 18 HD1 TYR 18 -3.077 -2.942 -1.275 149 HE1 TYR 18 HE2 TYR 18 -1.978 1.236 1.188 150 HE2 TYR 18 HE1 TYR 18 -4.023 -2.573 0.967 151 HH TYR 18 HH TYR 18 -4.226 -1.101 2.722 152 H PHE 19 H PHE 19 0.122 -4.285 -3.001 153 HA PHE 19 HA PHE 19 1.293 -4.090 -5.747 154 HB2 PHE 19 HB2 PHE 19 2.890 -4.852 -4.055 155 HB3 PHE 19 HB3 PHE 19 1.748 -6.012 -3.430 156 HD1 PHE 19 HD2 PHE 19 4.122 -5.239 -6.125 157 HD2 PHE 19 HD1 PHE 19 1.402 -8.220 -4.581 158 HE1 PHE 19 HE2 PHE 19 5.103 -6.928 -7.650 159 HE2 PHE 19 HE1 PHE 19 2.502 -9.919 -5.998 160 HZ PHE 19 HZ PHE 19 4.261 -9.267 -7.615 161 H ASN 20 H ASN 20 0.174 -5.223 -7.309 162 HA ASN 20 HA ASN 20 -2.113 -6.923 -6.496 163 HB2 ASN 20 HB2 ASN 20 -2.409 -5.125 -8.198 164 HB3 ASN 20 HB3 ASN 20 -1.234 -5.927 -9.220 165 HD21 ASN 20 HD22 ASN 20 -4.483 -6.179 -7.791 166 HD22 ASN 20 HD21 ASN 20 -5.011 -7.573 -8.685 167 H HIS 21 H HIS 21 -1.476 -9.027 -5.986 168 HA HIS 21 HA HIS 21 0.850 -10.165 -7.246 169 HB2 HIS 21 HB2 HIS 21 0.547 -12.012 -5.800 170 HB3 HIS 21 HB3 HIS 21 0.208 -10.557 -4.907 171 HD1 HIS 21 HD1 HIS 21 -1.511 -11.211 -3.168 172 HD2 HIS 21 HD2 HIS 21 -2.235 -12.924 -6.959 173 HE1 HIS 21 HE1 HIS 21 -3.752 -12.456 -3.019 174 H ILE 22 H ILE 22 -2.031 -9.782 -8.788 175 HA ILE 22 HA ILE 22 -1.743 -12.322 -10.322 176 HB ILE 22 HB ILE 22 -3.876 -10.153 -10.363 177 HG12 ILE 22 HG12 ILE 22 -3.956 -13.066 -9.440 178 HG13 ILE 22 HG13 ILE 22 -3.891 -11.670 -8.375 179 HG21 ILE 22 HG21 ILE 22 -3.641 -11.060 -12.638 180 HG22 ILE 22 HG22 ILE 22 -3.720 -12.718 -12.006 181 HG23 ILE 22 HG23 ILE 22 -5.127 -11.633 -11.921 182 HD11 ILE 22 HD11 ILE 22 -6.142 -12.360 -8.381 183 HD12 ILE 22 HD12 ILE 22 -6.089 -10.889 -9.373 184 HD13 ILE 22 HD13 ILE 22 -6.207 -12.489 -10.143 185 H THR 23 H THR 23 -0.828 -8.950 -10.390 186 HA THR 23 HA THR 23 0.064 -9.230 -13.254 187 HB THR 23 HB THR 23 -0.655 -6.899 -13.599 188 HG1 THR 23 HG1 THR 23 -1.955 -7.156 -11.093 189 HG21 THR 23 HG21 THR 23 -3.048 -7.197 -13.690 190 HG22 THR 23 HG22 THR 23 -2.269 -8.725 -14.146 191 HG23 THR 23 HG23 THR 23 -2.992 -8.541 -12.533 192 H ASN 24 H ASN 24 1.006 -8.136 -10.084 193 HA ASN 24 HA ASN 24 2.781 -7.207 -9.225 194 HB2 ASN 24 HB2 ASN 24 4.073 -6.763 -11.934 195 HB3 ASN 24 HB3 ASN 24 4.834 -6.734 -10.356 196 HD21 ASN 24 HD22 ASN 24 3.490 -8.799 -12.851 197 HD22 ASN 24 HD21 ASN 24 4.247 -10.282 -12.234 198 H ALA 25 H ALA 25 0.456 -5.625 -10.989 199 HA ALA 25 HA ALA 25 1.427 -2.996 -11.284 200 HB1 ALA 25 HB1 ALA 25 -1.351 -3.924 -10.429 201 HB2 ALA 25 HB2 ALA 25 -0.933 -2.338 -11.103 202 HB3 ALA 25 HB3 ALA 25 -0.769 -3.795 -12.104 203 H SER 26 H SER 26 1.969 -1.366 -9.834 204 HA SER 26 HA SER 26 1.521 -1.870 -6.947 205 HB2 SER 26 HB2 SER 26 4.220 -1.466 -8.289 206 HB3 SER 26 HB3 SER 26 3.923 -1.530 -6.543 207 HG SER 26 HG SER 26 3.509 -3.661 -8.430 208 H GLN 27 H GLN 27 1.163 -0.046 -5.784 209 HA GLN 27 HA GLN 27 2.540 2.422 -6.400 210 HB2 GLN 27 HB2 GLN 27 0.731 3.860 -6.872 211 HB3 GLN 27 HB3 GLN 27 0.602 2.543 -8.015 212 HG2 GLN 27 HG2 GLN 27 -1.071 2.884 -5.488 213 HG3 GLN 27 HG3 GLN 27 -1.587 3.289 -7.117 214 HE21 GLN 27 HE22 GLN 27 -2.626 1.269 -4.983 215 HE22 GLN 27 HE21 GLN 27 -2.680 -0.205 -5.983 216 H PHE 28 H PHE 28 2.069 4.162 -4.744 217 HA PHE 28 HA PHE 28 1.871 3.117 -2.098 218 HB2 PHE 28 HB2 PHE 28 1.609 5.976 -3.077 219 HB3 PHE 28 HB3 PHE 28 1.938 5.464 -1.425 220 HD1 PHE 28 HD1 PHE 28 4.011 3.698 -1.260 221 HD2 PHE 28 HD2 PHE 28 3.498 6.705 -4.307 222 HE1 PHE 28 HE1 PHE 28 6.441 3.642 -1.722 223 HE2 PHE 28 HE2 PHE 28 5.935 6.646 -4.767 224 HZ PHE 28 HZ PHE 28 7.412 5.115 -3.481 225 H GLU 29 H GLU 29 -0.518 4.676 -4.193 226 HA GLU 29 HA GLU 29 -2.549 5.269 -2.374 227 HB2 GLU 29 HB2 GLU 29 -2.507 4.631 -5.340 228 HB3 GLU 29 HB3 GLU 29 -4.006 5.017 -4.519 229 HG2 GLU 29 HG2 GLU 29 -1.572 6.857 -4.424 230 HG3 GLU 29 HG3 GLU 29 -2.811 6.948 -5.681 231 H ARG 30 H ARG 30 -3.602 4.019 -1.026 232 HA ARG 30 HA ARG 30 -4.077 1.262 -1.197 233 HB2 ARG 30 HB2 ARG 30 -6.176 2.028 0.369 234 HB3 ARG 30 HB3 ARG 30 -4.569 1.640 0.874 235 HG2 ARG 30 HG2 ARG 30 -4.925 3.498 2.082 236 HG3 ARG 30 HG3 ARG 30 -4.037 4.185 0.743 237 HD2 ARG 30 HD2 ARG 30 -7.047 4.247 1.234 238 HD3 ARG 30 HD3 ARG 30 -5.935 5.609 1.366 239 HE ARG 30 HE ARG 30 -6.828 4.255 -1.144 240 HH11 ARG 30 HH11 ARG 30 -4.882 6.938 0.093 241 HH12 ARG 30 HH12 ARG 30 -4.423 7.361 -1.554 242 HH21 ARG 30 HH22 ARG 30 -6.508 5.053 -3.053 243 HH22 ARG 30 HH21 ARG 30 -5.630 6.585 -3.252 244 HA PRO 31 HA PRO 31 -7.050 1.454 -4.514 245 HB2 PRO 31 HB2 PRO 31 -7.191 -1.147 -5.214 246 HB3 PRO 31 HB3 PRO 31 -5.693 -0.189 -5.394 247 HG2 PRO 31 HG2 PRO 31 -6.414 -2.108 -3.175 248 HG3 PRO 31 HG3 PRO 31 -4.870 -1.991 -4.071 249 HD2 PRO 31 HD2 PRO 31 -5.342 -0.787 -1.607 250 HD3 PRO 31 HD3 PRO 31 -4.143 -0.200 -2.782 251 H SER 32 H SER 32 -8.418 2.232 -2.696 252 HA SER 32 HA SER 32 -10.359 2.382 -1.549 253 HB2 SER 32 HB2 SER 32 -12.335 1.295 -2.288 254 HB3 SER 32 HB3 SER 32 -11.339 1.627 -3.716 255 HG SER 32 HG SER 32 -10.484 -0.608 -3.294 256 H GLY 33 H GLY 33 -8.186 0.488 -0.683 257 HA2 GLY 33 HA2 GLY 33 -7.623 -0.869 1.092 258 HA3 GLY 33 HA3 GLY 33 -8.567 0.357 1.925 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -7.722 2.982 -2.854 2 H2 LYS 1 H2 LYS 1 -9.149 3.761 -3.171 3 H3 LYS 1 H3 LYS 1 -8.084 3.423 -4.388 4 HA LYS 1 HA LYS 1 -9.537 1.426 -2.777 5 HB2 LYS 1 HB2 LYS 1 -10.701 0.831 -4.893 6 HB3 LYS 1 HB3 LYS 1 -11.109 2.395 -4.227 7 HG2 LYS 1 HG2 LYS 1 -11.061 2.593 -6.578 8 HG3 LYS 1 HG3 LYS 1 -9.733 3.526 -5.934 9 HD2 LYS 1 HD2 LYS 1 -8.164 1.628 -6.641 10 HD3 LYS 1 HD3 LYS 1 -9.578 0.791 -7.295 11 HE2 LYS 1 HE2 LYS 1 -8.585 1.885 -9.148 12 HE3 LYS 1 HE3 LYS 1 -9.978 2.890 -8.711 13 HZ1 LYS 1 HZ1 LYS 1 -8.121 4.374 -8.968 14 HZ2 LYS 1 HZ2 LYS 1 -8.225 4.166 -7.304 15 HZ3 LYS 1 HZ3 LYS 1 -7.105 3.422 -8.058 16 H LEU 2 H LEU 2 -9.357 -0.848 -3.783 17 HA LEU 2 HA LEU 2 -6.753 -1.242 -5.165 18 HB2 LEU 2 HB2 LEU 2 -7.930 -2.894 -2.913 19 HB3 LEU 2 HB3 LEU 2 -6.738 -3.499 -4.037 20 HG LEU 2 HG LEU 2 -6.384 -1.377 -1.932 21 HD11 LEU 2 HD11 LEU 2 -6.173 -3.805 -1.359 22 HD12 LEU 2 HD12 LEU 2 -4.879 -3.948 -2.562 23 HD13 LEU 2 HD13 LEU 2 -4.659 -2.911 -1.143 24 HD21 LEU 2 HD21 LEU 2 -4.367 -2.010 -4.111 25 HD22 LEU 2 HD22 LEU 2 -5.163 -0.452 -3.832 26 HD23 LEU 2 HD23 LEU 2 -4.066 -1.073 -2.626 27 HA PRO 3 HA PRO 3 -9.679 -3.370 -7.932 28 HB2 PRO 3 HB2 PRO 3 -7.155 -3.891 -9.463 29 HB3 PRO 3 HB3 PRO 3 -8.704 -3.222 -10.041 30 HG2 PRO 3 HG2 PRO 3 -6.514 -1.631 -9.689 31 HG3 PRO 3 HG3 PRO 3 -8.167 -1.056 -9.301 32 HD2 PRO 3 HD2 PRO 3 -6.052 -2.083 -7.403 33 HD3 PRO 3 HD3 PRO 3 -7.152 -0.688 -7.239 34 HA PRO 4 HA PRO 4 -8.964 -7.753 -7.109 35 HB2 PRO 4 HB2 PRO 4 -8.662 -8.182 -10.088 36 HB3 PRO 4 HB3 PRO 4 -9.602 -9.141 -8.901 37 HG2 PRO 4 HG2 PRO 4 -10.864 -7.354 -10.490 38 HG3 PRO 4 HG3 PRO 4 -11.276 -7.434 -8.744 39 HD2 PRO 4 HD2 PRO 4 -9.455 -5.477 -10.160 40 HD3 PRO 4 HD3 PRO 4 -10.707 -5.158 -8.917 41 H GLY 5 H GLY 5 -7.228 -8.956 -6.523 42 HA2 GLY 5 HA2 GLY 5 -5.182 -10.004 -6.631 43 HA3 GLY 5 HA3 GLY 5 -4.837 -9.183 -8.151 44 H TRP 6 H TRP 6 -5.584 -6.634 -6.062 45 HA TRP 6 HA TRP 6 -2.711 -6.150 -5.587 46 HB2 TRP 6 HB2 TRP 6 -5.165 -4.441 -5.233 47 HB3 TRP 6 HB3 TRP 6 -3.518 -3.940 -4.857 48 HD1 TRP 6 HD1 TRP 6 -5.667 -4.918 -7.894 49 HE1 TRP 6 HE1 TRP 6 -4.752 -3.749 -9.988 50 HE3 TRP 6 HE3 TRP 6 -1.347 -3.062 -5.929 51 HZ2 TRP 6 HZ2 TRP 6 -2.419 -2.238 -10.726 52 HZ3 TRP 6 HZ3 TRP 6 0.275 -1.918 -7.384 53 HH2 TRP 6 HH2 TRP 6 -0.252 -1.442 -9.765 54 H GLU 7 H GLU 7 -1.668 -6.160 -3.661 55 HA GLU 7 HA GLU 7 -3.199 -6.618 -1.149 56 HB2 GLU 7 HB2 GLU 7 -1.852 -8.575 -2.740 57 HB3 GLU 7 HB3 GLU 7 -0.805 -8.294 -1.364 58 HG2 GLU 7 HG2 GLU 7 -3.800 -8.833 -1.070 59 HG3 GLU 7 HG3 GLU 7 -2.601 -10.122 -1.182 60 H LYS 8 H LYS 8 -1.988 -6.292 0.821 61 HA LYS 8 HA LYS 8 -0.402 -3.842 0.579 62 HB2 LYS 8 HB2 LYS 8 -1.050 -3.416 2.806 63 HB3 LYS 8 HB3 LYS 8 -2.440 -4.139 1.993 64 HG2 LYS 8 HG2 LYS 8 -1.504 -6.393 3.041 65 HG3 LYS 8 HG3 LYS 8 -0.624 -5.286 4.092 66 HD2 LYS 8 HD2 LYS 8 -2.612 -5.898 5.265 67 HD3 LYS 8 HD3 LYS 8 -2.829 -4.234 4.730 68 HE2 LYS 8 HE2 LYS 8 -4.893 -5.432 4.393 69 HE3 LYS 8 HE3 LYS 8 -4.214 -5.051 2.807 70 HZ1 LYS 8 HZ1 LYS 8 -3.888 -7.685 4.134 71 HZ2 LYS 8 HZ2 LYS 8 -5.044 -7.359 3.007 72 HZ3 LYS 8 HZ3 LYS 8 -3.477 -7.324 2.580 73 H ARG 9 H ARG 9 1.719 -3.716 0.647 74 HA ARG 9 HA ARG 9 3.389 -5.844 1.963 75 HB2 ARG 9 HB2 ARG 9 3.830 -4.686 -0.811 76 HB3 ARG 9 HB3 ARG 9 4.903 -5.820 -0.005 77 HG2 ARG 9 HG2 ARG 9 2.085 -6.419 -0.988 78 HG3 ARG 9 HG3 ARG 9 3.591 -6.803 -1.804 79 HD2 ARG 9 HD2 ARG 9 2.966 -8.834 -0.909 80 HD3 ARG 9 HD3 ARG 9 4.225 -8.261 0.184 81 HE ARG 9 HE ARG 9 2.289 -7.473 1.672 82 HH11 ARG 9 HH11 ARG 9 1.381 -10.179 -0.505 83 HH12 ARG 9 HH12 ARG 9 -0.106 -10.292 0.479 84 HH21 ARG 9 HH21 ARG 9 0.516 -7.880 2.604 85 HH22 ARG 9 HH22 ARG 9 -0.507 -9.231 2.059 86 H MET 10 H MET 10 5.674 -5.209 2.223 87 HA MET 10 HA MET 10 5.744 -2.424 3.233 88 HB2 MET 10 HB2 MET 10 7.322 -4.919 3.967 89 HB3 MET 10 HB3 MET 10 7.675 -3.302 4.576 90 HG2 MET 10 HG2 MET 10 6.381 -4.364 6.245 91 HG3 MET 10 HG3 MET 10 5.386 -3.127 5.500 92 HE1 MET 10 HE1 MET 10 5.965 -6.908 6.187 93 HE2 MET 10 HE2 MET 10 4.767 -7.712 5.150 94 HE3 MET 10 HE3 MET 10 6.185 -6.926 4.421 95 H PHE 11 H PHE 11 7.296 -0.993 2.742 96 HA PHE 11 HA PHE 11 9.081 -1.577 0.437 97 HB2 PHE 11 HB2 PHE 11 7.217 0.038 0.074 98 HB3 PHE 11 HB3 PHE 11 7.817 1.015 1.393 99 HD1 PHE 11 HD1 PHE 11 9.203 -0.603 -1.740 100 HD2 PHE 11 HD2 PHE 11 8.973 2.945 0.708 101 HE1 PHE 11 HE1 PHE 11 10.694 0.592 -3.321 102 HE2 PHE 11 HE2 PHE 11 10.448 4.137 -0.893 103 HZ PHE 11 HZ PHE 11 11.322 2.959 -2.896 104 H ALA 12 H ALA 12 11.191 -0.822 0.435 105 HA ALA 12 HA ALA 12 12.660 -1.138 2.740 106 HB1 ALA 12 HB1 ALA 12 13.504 -1.408 0.446 107 HB2 ALA 12 HB2 ALA 12 13.413 0.352 0.187 108 HB3 ALA 12 HB3 ALA 12 14.547 -0.321 1.379 109 H ASN 13 H ASN 13 11.364 1.951 1.528 110 HA ASN 13 HA ASN 13 12.774 3.546 3.510 111 HB2 ASN 13 HB2 ASN 13 11.887 4.218 1.150 112 HB3 ASN 13 HB3 ASN 13 10.335 4.447 1.967 113 HD21 ASN 13 HD22 ASN 13 10.702 5.797 4.179 114 HD22 ASN 13 HD21 ASN 13 11.682 7.253 3.897 115 H GLY 14 H GLY 14 11.339 1.275 4.665 116 HA2 GLY 14 HA2 GLY 14 10.045 0.738 6.471 117 HA3 GLY 14 HA3 GLY 14 10.399 2.373 7.058 118 H THR 15 H THR 15 8.505 1.244 4.248 119 HA THR 15 HA THR 15 6.127 2.812 5.195 120 HB THR 15 HB THR 15 7.644 2.855 2.565 121 HG1 THR 15 HG1 THR 15 8.395 4.252 4.179 122 HG21 THR 15 HG21 THR 15 5.367 2.948 1.813 123 HG22 THR 15 HG22 THR 15 4.928 4.099 3.111 124 HG23 THR 15 HG23 THR 15 6.015 4.587 1.798 125 H VAL 16 H VAL 16 4.122 2.197 3.809 126 HA VAL 16 HA VAL 16 4.225 -0.640 2.923 127 HB VAL 16 HB VAL 16 2.177 0.732 4.639 128 HG11 VAL 16 HG11 VAL 16 0.782 0.017 2.738 129 HG12 VAL 16 HG12 VAL 16 1.511 -1.607 2.793 130 HG13 VAL 16 HG13 VAL 16 0.511 -1.021 4.137 131 HG21 VAL 16 HG21 VAL 16 3.901 -0.853 5.553 132 HG22 VAL 16 HG22 VAL 16 2.246 -1.447 5.779 133 HG23 VAL 16 HG23 VAL 16 3.255 -2.121 4.481 134 H TYR 17 H TYR 17 3.242 -1.164 1.089 135 HA TYR 17 HA TYR 17 1.937 0.891 -0.567 136 HB2 TYR 17 HB2 TYR 17 3.347 0.649 -2.394 137 HB3 TYR 17 HB3 TYR 17 4.464 0.761 -1.060 138 HD1 TYR 17 HD1 TYR 17 5.501 -1.404 -0.127 139 HD2 TYR 17 HD2 TYR 17 3.280 -1.316 -3.817 140 HE1 TYR 17 HE1 TYR 17 6.661 -3.475 -0.878 141 HE2 TYR 17 HE2 TYR 17 4.456 -3.364 -4.575 142 HH TYR 17 HH TYR 17 6.940 -4.979 -2.597 143 H TYR 18 H TYR 18 1.260 -0.398 -2.741 144 HA TYR 18 HA TYR 18 0.048 -2.944 -1.870 145 HB2 TYR 18 HB2 TYR 18 -1.278 -0.698 -3.402 146 HB3 TYR 18 HB3 TYR 18 -2.002 -2.249 -2.961 147 HD1 TYR 18 HD2 TYR 18 -2.482 -2.791 -0.530 148 HD2 TYR 18 HD1 TYR 18 -0.968 1.078 -1.723 149 HE1 TYR 18 HE2 TYR 18 -2.802 -1.948 1.755 150 HE2 TYR 18 HE1 TYR 18 -1.240 1.900 0.574 151 HH TYR 18 HH TYR 18 -1.809 1.333 2.743 152 H PHE 19 H PHE 19 0.363 -4.592 -3.105 153 HA PHE 19 HA PHE 19 1.806 -4.319 -5.700 154 HB2 PHE 19 HB2 PHE 19 3.154 -5.130 -3.832 155 HB3 PHE 19 HB3 PHE 19 1.912 -6.272 -3.386 156 HD1 PHE 19 HD1 PHE 19 4.467 -5.483 -5.992 157 HD2 PHE 19 HD2 PHE 19 1.774 -8.467 -4.401 158 HE1 PHE 19 HE1 PHE 19 5.593 -7.227 -7.337 159 HE2 PHE 19 HE2 PHE 19 2.927 -10.205 -5.720 160 HZ PHE 19 HZ PHE 19 4.822 -9.592 -7.216 161 H ASN 20 H ASN 20 0.834 -5.185 -7.455 162 HA ASN 20 HA ASN 20 -1.580 -6.817 -7.186 163 HB2 ASN 20 HB2 ASN 20 -1.333 -5.036 -8.924 164 HB3 ASN 20 HB3 ASN 20 -0.072 -5.995 -9.672 165 HD21 ASN 20 HD22 ASN 20 -3.565 -5.873 -8.901 166 HD22 ASN 20 HD21 ASN 20 -4.010 -7.210 -9.923 167 H HIS 21 H HIS 21 -1.163 -8.870 -6.441 168 HA HIS 21 HA HIS 21 1.248 -10.290 -7.230 169 HB2 HIS 21 HB2 HIS 21 0.438 -12.044 -5.773 170 HB3 HIS 21 HB3 HIS 21 0.346 -10.483 -4.996 171 HD1 HIS 21 HD1 HIS 21 -1.936 -9.982 -3.858 172 HD2 HIS 21 HD2 HIS 21 -2.140 -12.861 -6.924 173 HE1 HIS 21 HE1 HIS 21 -4.326 -10.883 -3.858 174 H ILE 22 H ILE 22 -1.296 -9.685 -9.202 175 HA ILE 22 HA ILE 22 -1.216 -12.363 -10.504 176 HB ILE 22 HB ILE 22 -2.992 -9.945 -11.018 177 HG12 ILE 22 HG12 ILE 22 -3.598 -12.626 -9.685 178 HG13 ILE 22 HG13 ILE 22 -3.471 -11.077 -8.859 179 HG21 ILE 22 HG21 ILE 22 -2.665 -11.219 -13.097 180 HG22 ILE 22 HG22 ILE 22 -3.073 -12.731 -12.257 181 HG23 ILE 22 HG23 ILE 22 -4.289 -11.457 -12.504 182 HD11 ILE 22 HD11 ILE 22 -5.418 -10.237 -10.232 183 HD12 ILE 22 HD12 ILE 22 -5.651 -11.915 -10.787 184 HD13 ILE 22 HD13 ILE 22 -5.779 -11.529 -9.069 185 H THR 23 H THR 23 0.146 -9.170 -10.670 186 HA THR 23 HA THR 23 1.324 -9.742 -13.379 187 HB THR 23 HB THR 23 1.089 -7.332 -13.865 188 HG1 THR 23 HG1 THR 23 -0.563 -7.267 -11.570 189 HG21 THR 23 HG21 THR 23 -1.306 -7.226 -14.257 190 HG22 THR 23 HG22 THR 23 -0.714 -8.856 -14.627 191 HG23 THR 23 HG23 THR 23 -1.605 -8.558 -13.121 192 H ASN 24 H ASN 24 1.959 -8.580 -10.147 193 HA ASN 24 HA ASN 24 3.755 -8.026 -9.056 194 HB2 ASN 24 HB2 ASN 24 5.472 -7.884 -11.551 195 HB3 ASN 24 HB3 ASN 24 6.002 -7.917 -9.881 196 HD21 ASN 24 HD22 ASN 24 4.686 -9.834 -12.500 197 HD22 ASN 24 HD21 ASN 24 5.113 -11.398 -11.770 198 H ALA 25 H ALA 25 1.939 -6.112 -10.980 199 HA ALA 25 HA ALA 25 3.458 -3.691 -11.061 200 HB1 ALA 25 HB1 ALA 25 1.293 -2.624 -11.441 201 HB2 ALA 25 HB2 ALA 25 1.392 -4.132 -12.368 202 HB3 ALA 25 HB3 ALA 25 0.439 -4.071 -10.870 203 H SER 26 H SER 26 3.192 -1.737 -9.734 204 HA SER 26 HA SER 26 2.589 -2.249 -6.857 205 HB2 SER 26 HB2 SER 26 4.693 -1.153 -6.299 206 HB3 SER 26 HB3 SER 26 5.002 -2.588 -7.303 207 HG SER 26 HG SER 26 4.635 -0.031 -8.460 208 H GLN 27 H GLN 27 1.543 -0.609 -5.833 209 HA GLN 27 HA GLN 27 1.715 2.171 -6.840 210 HB2 GLN 27 HB2 GLN 27 -0.581 0.390 -7.169 211 HB3 GLN 27 HB3 GLN 27 -1.015 1.655 -6.051 212 HG2 GLN 27 HG2 GLN 27 0.207 2.150 -8.800 213 HG3 GLN 27 HG3 GLN 27 -1.523 2.125 -8.466 214 HE21 GLN 27 HE22 GLN 27 -0.798 4.454 -9.588 215 HE22 GLN 27 HE21 GLN 27 -0.650 5.676 -8.335 216 H PHE 28 H PHE 28 1.008 3.730 -5.248 217 HA PHE 28 HA PHE 28 1.213 2.776 -2.431 218 HB2 PHE 28 HB2 PHE 28 1.548 5.533 -3.640 219 HB3 PHE 28 HB3 PHE 28 1.471 5.210 -1.911 220 HD1 PHE 28 HD1 PHE 28 3.141 3.441 -0.925 221 HD2 PHE 28 HD2 PHE 28 3.682 5.405 -4.731 222 HE1 PHE 28 HE1 PHE 28 5.566 2.948 -0.841 223 HE2 PHE 28 HE2 PHE 28 6.106 4.879 -4.650 224 HZ PHE 28 HZ PHE 28 7.053 3.652 -2.703 225 H GLU 29 H GLU 29 -1.138 3.670 -4.810 226 HA GLU 29 HA GLU 29 -3.112 4.850 -3.243 227 HB2 GLU 29 HB2 GLU 29 -3.213 4.467 -5.738 228 HB3 GLU 29 HB3 GLU 29 -3.692 2.791 -5.400 229 HG2 GLU 29 HG2 GLU 29 -5.554 3.809 -3.898 230 HG3 GLU 29 HG3 GLU 29 -5.117 5.368 -4.578 231 H ARG 30 H ARG 30 -3.741 4.245 -1.315 232 HA ARG 30 HA ARG 30 -3.838 1.566 -0.412 233 HB2 ARG 30 HB2 ARG 30 -4.165 2.417 1.675 234 HB3 ARG 30 HB3 ARG 30 -3.390 3.754 0.878 235 HG2 ARG 30 HG2 ARG 30 -6.328 3.462 1.630 236 HG3 ARG 30 HG3 ARG 30 -5.143 4.580 2.290 237 HD2 ARG 30 HD2 ARG 30 -5.009 5.616 -0.056 238 HD3 ARG 30 HD3 ARG 30 -6.460 4.689 -0.450 239 HE ARG 30 HE ARG 30 -6.302 7.121 1.056 240 HH11 ARG 30 HH21 ARG 30 -8.416 4.140 1.046 241 HH12 ARG 30 HH22 ARG 30 -9.624 5.159 1.858 242 HH21 ARG 30 HH11 ARG 30 -8.171 8.096 1.980 243 HH22 ARG 30 HH12 ARG 30 -9.552 7.009 2.220 244 HA PRO 31 HA PRO 31 -7.847 -0.147 -1.072 245 HB2 PRO 31 HB2 PRO 31 -8.060 -0.241 1.949 246 HB3 PRO 31 HB3 PRO 31 -8.510 -1.504 0.756 247 HG2 PRO 31 HG2 PRO 31 -6.127 -1.684 2.032 248 HG3 PRO 31 HG3 PRO 31 -6.223 -1.973 0.289 249 HD2 PRO 31 HD2 PRO 31 -5.305 0.500 1.740 250 HD3 PRO 31 HD3 PRO 31 -4.626 -0.287 0.278 251 H SER 32 H SER 32 -10.159 -0.026 -0.520 252 HA SER 32 HA SER 32 -10.985 2.609 -1.133 253 HB2 SER 32 HB2 SER 32 -12.647 0.186 -0.349 254 HB3 SER 32 HB3 SER 32 -13.221 1.618 -1.232 255 HG SER 32 HG SER 32 -12.644 -0.138 -2.616 256 H GLY 33 H GLY 33 -12.407 4.058 -0.117 257 HA2 GLY 33 HA2 GLY 33 -13.683 4.717 1.915 258 HA3 GLY 33 HA3 GLY 33 -12.315 4.073 2.855 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -10.573 0.195 -0.919 2 H2 LYS 1 H2 LYS 1 -11.956 -0.370 -0.259 3 H3 LYS 1 H3 LYS 1 -11.688 -0.536 -1.900 4 HA LYS 1 HA LYS 1 -10.034 -1.742 0.187 5 HB2 LYS 1 HB2 LYS 1 -12.573 -2.570 -0.137 6 HB3 LYS 1 HB3 LYS 1 -11.890 -3.449 -1.482 7 HG2 LYS 1 HG2 LYS 1 -10.527 -4.764 -0.132 8 HG3 LYS 1 HG3 LYS 1 -10.432 -3.584 1.170 9 HD2 LYS 1 HD2 LYS 1 -13.067 -4.989 0.586 10 HD3 LYS 1 HD3 LYS 1 -11.786 -5.773 1.503 11 HE2 LYS 1 HE2 LYS 1 -13.112 -4.828 3.175 12 HE3 LYS 1 HE3 LYS 1 -11.715 -3.759 3.042 13 HZ1 LYS 1 HZ1 LYS 1 -14.454 -3.215 2.027 14 HZ2 LYS 1 HZ2 LYS 1 -13.568 -2.332 3.136 15 HZ3 LYS 1 HZ3 LYS 1 -13.139 -2.258 1.662 16 H LEU 2 H LEU 2 -8.463 -3.268 -0.606 17 HA LEU 2 HA LEU 2 -7.154 -2.738 -3.017 18 HB2 LEU 2 HB2 LEU 2 -6.106 -4.976 -2.659 19 HB3 LEU 2 HB3 LEU 2 -5.888 -3.783 -1.406 20 HG LEU 2 HG LEU 2 -8.179 -5.686 -0.984 21 HD11 LEU 2 HD11 LEU 2 -6.662 -7.448 -0.132 22 HD12 LEU 2 HD12 LEU 2 -6.496 -7.210 -1.873 23 HD13 LEU 2 HD13 LEU 2 -5.265 -6.546 -0.776 24 HD21 LEU 2 HD21 LEU 2 -5.912 -4.785 0.845 25 HD22 LEU 2 HD22 LEU 2 -7.473 -3.960 0.737 26 HD23 LEU 2 HD23 LEU 2 -7.400 -5.626 1.320 27 HA PRO 3 HA PRO 3 -10.149 -4.570 -5.810 28 HB2 PRO 3 HB2 PRO 3 -8.023 -4.222 -7.895 29 HB3 PRO 3 HB3 PRO 3 -9.712 -3.655 -7.901 30 HG2 PRO 3 HG2 PRO 3 -7.635 -1.941 -7.466 31 HG3 PRO 3 HG3 PRO 3 -9.198 -1.772 -6.601 32 HD2 PRO 3 HD2 PRO 3 -6.624 -2.991 -5.600 33 HD3 PRO 3 HD3 PRO 3 -7.781 -1.897 -4.780 34 HA PRO 4 HA PRO 4 -9.213 -8.867 -6.611 35 HB2 PRO 4 HB2 PRO 4 -9.574 -8.265 -9.556 36 HB3 PRO 4 HB3 PRO 4 -10.179 -9.663 -8.610 37 HG2 PRO 4 HG2 PRO 4 -11.835 -7.600 -9.154 38 HG3 PRO 4 HG3 PRO 4 -11.805 -8.293 -7.499 39 HD2 PRO 4 HD2 PRO 4 -10.453 -5.791 -8.519 40 HD3 PRO 4 HD3 PRO 4 -11.346 -6.047 -6.988 41 H GLY 5 H GLY 5 -7.271 -9.805 -6.493 42 HA2 GLY 5 HA2 GLY 5 -5.195 -10.547 -7.167 43 HA3 GLY 5 HA3 GLY 5 -5.229 -9.447 -8.546 44 H TRP 6 H TRP 6 -5.883 -7.435 -5.898 45 HA TRP 6 HA TRP 6 -3.019 -6.720 -5.673 46 HB2 TRP 6 HB2 TRP 6 -5.537 -5.270 -4.882 47 HB3 TRP 6 HB3 TRP 6 -3.912 -4.701 -4.535 48 HD1 TRP 6 HD1 TRP 6 -6.179 -5.449 -7.539 49 HE1 TRP 6 HE1 TRP 6 -5.460 -3.969 -9.524 50 HE3 TRP 6 HE3 TRP 6 -1.866 -3.538 -5.588 51 HZ2 TRP 6 HZ2 TRP 6 -3.238 -2.255 -10.201 52 HZ3 TRP 6 HZ3 TRP 6 -0.436 -2.036 -6.945 53 HH2 TRP 6 HH2 TRP 6 -1.113 -1.372 -9.236 54 H GLU 7 H GLU 7 -2.027 -6.227 -3.680 55 HA GLU 7 HA GLU 7 -3.097 -7.382 -1.191 56 HB2 GLU 7 HB2 GLU 7 -1.075 -8.589 -2.959 57 HB3 GLU 7 HB3 GLU 7 -0.350 -8.172 -1.419 58 HG2 GLU 7 HG2 GLU 7 -2.975 -9.716 -1.592 59 HG3 GLU 7 HG3 GLU 7 -1.392 -10.499 -1.649 60 H LYS 8 H LYS 8 -1.722 -6.719 0.697 61 HA LYS 8 HA LYS 8 -0.576 -3.993 0.224 62 HB2 LYS 8 HB2 LYS 8 -1.233 -3.262 2.263 63 HB3 LYS 8 HB3 LYS 8 -2.599 -4.224 1.752 64 HG2 LYS 8 HG2 LYS 8 -0.485 -5.007 3.803 65 HG3 LYS 8 HG3 LYS 8 -2.111 -4.447 4.146 66 HD2 LYS 8 HD2 LYS 8 -1.427 -7.056 2.740 67 HD3 LYS 8 HD3 LYS 8 -1.866 -6.883 4.434 68 HE2 LYS 8 HE2 LYS 8 -4.095 -6.105 3.879 69 HE3 LYS 8 HE3 LYS 8 -3.683 -6.007 2.156 70 HZ1 LYS 8 HZ1 LYS 8 -3.706 -8.528 3.698 71 HZ2 LYS 8 HZ2 LYS 8 -4.879 -8.050 2.630 72 HZ3 LYS 8 HZ3 LYS 8 -3.345 -8.352 2.101 73 H ARG 9 H ARG 9 1.473 -3.453 0.841 74 HA ARG 9 HA ARG 9 3.179 -5.544 2.138 75 HB2 ARG 9 HB2 ARG 9 3.595 -4.327 -0.626 76 HB3 ARG 9 HB3 ARG 9 4.844 -5.228 0.232 77 HG2 ARG 9 HG2 ARG 9 2.174 -6.359 -0.696 78 HG3 ARG 9 HG3 ARG 9 3.721 -6.565 -1.505 79 HD2 ARG 9 HD2 ARG 9 4.647 -7.815 0.350 80 HD3 ARG 9 HD3 ARG 9 3.234 -7.513 1.351 81 HE ARG 9 HE ARG 9 3.408 -9.362 -0.964 82 HH11 ARG 9 HH21 ARG 9 1.213 -8.023 1.531 83 HH12 ARG 9 HH22 ARG 9 0.193 -9.461 1.365 84 HH21 ARG 9 HH11 ARG 9 1.811 -11.076 -1.032 85 HH22 ARG 9 HH12 ARG 9 0.428 -10.853 0.064 86 H MET 10 H MET 10 5.202 -4.887 2.887 87 HA MET 10 HA MET 10 5.401 -2.072 3.707 88 HB2 MET 10 HB2 MET 10 7.176 -4.509 4.196 89 HB3 MET 10 HB3 MET 10 7.477 -2.905 4.853 90 HG2 MET 10 HG2 MET 10 5.100 -4.696 5.451 91 HG3 MET 10 HG3 MET 10 6.441 -4.326 6.525 92 HE1 MET 10 HE1 MET 10 6.893 -1.852 7.530 93 HE2 MET 10 HE2 MET 10 6.669 -1.023 5.969 94 HE3 MET 10 HE3 MET 10 5.734 -0.512 7.387 95 H PHE 11 H PHE 11 6.786 -0.598 2.893 96 HA PHE 11 HA PHE 11 8.584 -1.324 0.644 97 HB2 PHE 11 HB2 PHE 11 6.842 0.469 0.329 98 HB3 PHE 11 HB3 PHE 11 7.621 1.393 1.600 99 HD1 PHE 11 HD1 PHE 11 8.424 -0.365 -1.641 100 HD2 PHE 11 HD2 PHE 11 9.238 2.999 0.939 101 HE1 PHE 11 HE1 PHE 11 9.992 0.556 -3.330 102 HE2 PHE 11 HE2 PHE 11 10.784 3.923 -0.772 103 HZ PHE 11 HZ PHE 11 11.176 2.700 -2.889 104 H ALA 12 H ALA 12 10.740 -1.272 0.938 105 HA ALA 12 HA ALA 12 11.864 -1.646 3.382 106 HB1 ALA 12 HB1 ALA 12 12.798 -2.362 1.223 107 HB2 ALA 12 HB2 ALA 12 13.228 -0.678 0.835 108 HB3 ALA 12 HB3 ALA 12 14.014 -1.511 2.192 109 H ASN 13 H ASN 13 11.748 1.566 1.764 110 HA ASN 13 HA ASN 13 13.482 2.840 3.650 111 HB2 ASN 13 HB2 ASN 13 11.386 3.972 1.769 112 HB3 ASN 13 HB3 ASN 13 12.588 4.926 2.627 113 HD21 ASN 13 HD22 ASN 13 14.659 5.177 1.674 114 HD22 ASN 13 HD21 ASN 13 15.094 4.239 0.254 115 H GLY 14 H GLY 14 10.426 1.586 4.344 116 HA2 GLY 14 HA2 GLY 14 9.453 1.768 6.499 117 HA3 GLY 14 HA3 GLY 14 10.133 3.389 6.702 118 H THR 15 H THR 15 7.836 1.572 4.584 119 HA THR 15 HA THR 15 5.712 3.533 4.897 120 HB THR 15 HB THR 15 7.457 3.445 2.427 121 HG1 THR 15 HG1 THR 15 7.419 5.001 4.298 122 HG21 THR 15 HG21 THR 15 5.824 4.841 1.206 123 HG22 THR 15 HG22 THR 15 5.283 3.173 1.378 124 HG23 THR 15 HG23 THR 15 4.587 4.454 2.415 125 H VAL 16 H VAL 16 3.786 2.772 3.397 126 HA VAL 16 HA VAL 16 3.915 -0.161 2.905 127 HB VAL 16 HB VAL 16 1.769 1.468 4.250 128 HG11 VAL 16 HG11 VAL 16 1.174 -1.076 2.671 129 HG12 VAL 16 HG12 VAL 16 0.096 -0.309 3.853 130 HG13 VAL 16 HG13 VAL 16 0.494 0.541 2.359 131 HG21 VAL 16 HG21 VAL 16 1.674 -0.551 5.657 132 HG22 VAL 16 HG22 VAL 16 2.769 -1.397 4.540 133 HG23 VAL 16 HG23 VAL 16 3.357 -0.015 5.500 134 H TYR 17 H TYR 17 3.014 -0.896 1.047 135 HA TYR 17 HA TYR 17 1.745 1.035 -0.793 136 HB2 TYR 17 HB2 TYR 17 3.183 0.646 -2.587 137 HB3 TYR 17 HB3 TYR 17 4.264 0.868 -1.243 138 HD1 TYR 17 HD1 TYR 17 5.324 -1.181 -0.125 139 HD2 TYR 17 HD2 TYR 17 3.206 -1.413 -3.882 140 HE1 TYR 17 HE1 TYR 17 6.522 -3.279 -0.680 141 HE2 TYR 17 HE2 TYR 17 4.383 -3.515 -4.408 142 HH TYR 17 HH TYR 17 6.849 -4.924 -2.256 143 H TYR 18 H TYR 18 0.983 -0.310 -2.823 144 HA TYR 18 HA TYR 18 -0.043 -2.948 -1.930 145 HB2 TYR 18 HB2 TYR 18 -1.425 -0.724 -3.452 146 HB3 TYR 18 HB3 TYR 18 -1.992 -2.393 -3.490 147 HD1 TYR 18 HD2 TYR 18 -1.129 0.371 -1.110 148 HD2 TYR 18 HD1 TYR 18 -3.316 -3.296 -1.738 149 HE1 TYR 18 HE2 TYR 18 -2.017 0.523 1.175 150 HE2 TYR 18 HE1 TYR 18 -4.337 -3.052 0.522 151 HH TYR 18 HH TYR 18 -3.443 -0.418 2.746 152 H PHE 19 H PHE 19 0.157 -4.611 -3.202 153 HA PHE 19 HA PHE 19 1.745 -4.387 -5.726 154 HB2 PHE 19 HB2 PHE 19 3.049 -5.211 -3.841 155 HB3 PHE 19 HB3 PHE 19 1.789 -6.325 -3.383 156 HD1 PHE 19 HD1 PHE 19 4.417 -5.621 -5.932 157 HD2 PHE 19 HD2 PHE 19 1.617 -8.525 -4.399 158 HE1 PHE 19 HE1 PHE 19 5.454 -7.364 -7.345 159 HE2 PHE 19 HE2 PHE 19 2.736 -10.287 -5.733 160 HZ PHE 19 HZ PHE 19 4.603 -9.701 -7.269 161 H ASN 20 H ASN 20 0.809 -5.329 -7.516 162 HA ASN 20 HA ASN 20 -1.668 -6.890 -7.158 163 HB2 ASN 20 HB2 ASN 20 -1.539 -5.116 -8.892 164 HB3 ASN 20 HB3 ASN 20 -0.280 -6.050 -9.697 165 HD21 ASN 20 HD22 ASN 20 -3.785 -5.935 -8.937 166 HD22 ASN 20 HD21 ASN 20 -4.161 -7.294 -9.972 167 H HIS 21 H HIS 21 -1.297 -8.922 -6.471 168 HA HIS 21 HA HIS 21 1.109 -10.389 -7.171 169 HB2 HIS 21 HB2 HIS 21 0.199 -12.090 -5.675 170 HB3 HIS 21 HB3 HIS 21 0.179 -10.504 -4.936 171 HD1 HIS 21 HD1 HIS 21 -2.130 -9.795 -3.894 172 HD2 HIS 21 HD2 HIS 21 -2.357 -12.898 -6.738 173 HE1 HIS 21 HE1 HIS 21 -4.531 -10.618 -3.876 174 H ILE 22 H ILE 22 -1.485 -9.822 -9.148 175 HA ILE 22 HA ILE 22 -1.277 -12.520 -10.412 176 HB ILE 22 HB ILE 22 -3.215 -10.222 -10.862 177 HG12 ILE 22 HG12 ILE 22 -3.506 -13.020 -9.667 178 HG13 ILE 22 HG13 ILE 22 -3.619 -11.490 -8.804 179 HG21 ILE 22 HG21 ILE 22 -4.391 -11.720 -12.459 180 HG22 ILE 22 HG22 ILE 22 -2.793 -11.313 -13.030 181 HG23 ILE 22 HG23 ILE 22 -3.077 -12.910 -12.301 182 HD11 ILE 22 HD11 ILE 22 -5.662 -10.939 -10.230 183 HD12 ILE 22 HD12 ILE 22 -5.618 -12.633 -10.776 184 HD13 ILE 22 HD13 ILE 22 -5.837 -12.267 -9.061 185 H THR 23 H THR 23 -0.076 -9.260 -10.669 186 HA THR 23 HA THR 23 1.057 -9.865 -13.394 187 HB THR 23 HB THR 23 0.690 -7.498 -13.956 188 HG1 THR 23 HG1 THR 23 -0.850 -7.404 -11.581 189 HG21 THR 23 HG21 THR 23 -1.087 -9.128 -14.561 190 HG22 THR 23 HG22 THR 23 -1.922 -8.775 -13.033 191 HG23 THR 23 HG23 THR 23 -1.715 -7.498 -14.249 192 H ASN 24 H ASN 24 1.782 -8.610 -10.214 193 HA ASN 24 HA ASN 24 3.593 -7.888 -9.230 194 HB2 ASN 24 HB2 ASN 24 5.211 -7.854 -11.793 195 HB3 ASN 24 HB3 ASN 24 5.795 -7.807 -10.141 196 HD21 ASN 24 HD22 ASN 24 4.431 -9.848 -12.637 197 HD22 ASN 24 HD21 ASN 24 4.889 -11.375 -11.853 198 H ALA 25 H ALA 25 1.619 -6.157 -11.148 199 HA ALA 25 HA ALA 25 2.993 -3.636 -11.293 200 HB1 ALA 25 HB1 ALA 25 0.758 -2.686 -11.524 201 HB2 ALA 25 HB2 ALA 25 0.880 -4.164 -12.496 202 HB3 ALA 25 HB3 ALA 25 0.014 -4.185 -10.946 203 H SER 26 H SER 26 2.408 -1.665 -9.823 204 HA SER 26 HA SER 26 1.764 -2.316 -7.052 205 HB2 SER 26 HB2 SER 26 4.592 -1.636 -7.902 206 HB3 SER 26 HB3 SER 26 3.994 -1.428 -6.240 207 HG SER 26 HG SER 26 3.435 -3.860 -7.486 208 H GLN 27 H GLN 27 1.368 -0.502 -5.754 209 HA GLN 27 HA GLN 27 1.910 2.188 -6.818 210 HB2 GLN 27 HB2 GLN 27 -0.394 2.929 -6.721 211 HB3 GLN 27 HB3 GLN 27 -0.254 1.580 -7.844 212 HG2 GLN 27 HG2 GLN 27 -1.144 0.051 -6.028 213 HG3 GLN 27 HG3 GLN 27 -1.354 1.461 -4.999 214 HE21 GLN 27 HE22 GLN 27 -3.498 2.117 -4.922 215 HE22 GLN 27 HE21 GLN 27 -4.547 2.015 -6.348 216 H PHE 28 H PHE 28 2.002 3.799 -5.225 217 HA PHE 28 HA PHE 28 1.871 2.968 -2.399 218 HB2 PHE 28 HB2 PHE 28 2.569 5.591 -3.769 219 HB3 PHE 28 HB3 PHE 28 2.572 5.348 -2.028 220 HD1 PHE 28 HD2 PHE 28 3.975 3.326 -1.110 221 HD2 PHE 28 HD1 PHE 28 4.616 5.195 -4.947 222 HE1 PHE 28 HE2 PHE 28 6.305 2.484 -1.138 223 HE2 PHE 28 HE1 PHE 28 6.942 4.330 -4.974 224 HZ PHE 28 HZ PHE 28 7.791 2.981 -3.067 225 H GLU 29 H GLU 29 -0.335 4.273 -4.710 226 HA GLU 29 HA GLU 29 -2.024 5.842 -2.992 227 HB2 GLU 29 HB2 GLU 29 -2.024 6.052 -5.408 228 HB3 GLU 29 HB3 GLU 29 -2.376 4.350 -5.623 229 HG2 GLU 29 HG2 GLU 29 -4.320 5.732 -6.116 230 HG3 GLU 29 HG3 GLU 29 -4.633 4.628 -4.779 231 H ARG 30 H ARG 30 -2.826 4.951 -1.149 232 HA ARG 30 HA ARG 30 -3.291 2.126 -0.898 233 HB2 ARG 30 HB2 ARG 30 -4.207 2.917 1.454 234 HB3 ARG 30 HB3 ARG 30 -2.521 2.735 1.045 235 HG2 ARG 30 HG2 ARG 30 -2.658 4.637 2.346 236 HG3 ARG 30 HG3 ARG 30 -2.262 5.161 0.732 237 HD2 ARG 30 HD2 ARG 30 -5.167 5.270 1.143 238 HD3 ARG 30 HD3 ARG 30 -4.349 6.033 2.485 239 HE ARG 30 HE ARG 30 -3.314 7.616 1.035 240 HH11 ARG 30 HH11 ARG 30 -5.631 5.611 -0.781 241 HH12 ARG 30 HH12 ARG 30 -5.545 6.684 -2.165 242 HH21 ARG 30 HH22 ARG 30 -3.162 8.813 -0.889 243 HH22 ARG 30 HH21 ARG 30 -3.949 8.130 -2.299 244 HA PRO 31 HA PRO 31 -7.498 2.591 -2.371 245 HB2 PRO 31 HB2 PRO 31 -8.088 0.044 -3.000 246 HB3 PRO 31 HB3 PRO 31 -6.825 0.964 -3.861 247 HG2 PRO 31 HG2 PRO 31 -6.428 -1.007 -1.580 248 HG3 PRO 31 HG3 PRO 31 -5.583 -0.967 -3.164 249 HD2 PRO 31 HD2 PRO 31 -4.614 0.186 -0.854 250 HD3 PRO 31 HD3 PRO 31 -4.230 0.797 -2.484 251 H SER 32 H SER 32 -7.694 3.290 -0.056 252 HA SER 32 HA SER 32 -8.565 1.802 2.103 253 HB2 SER 32 HB2 SER 32 -9.419 4.611 1.298 254 HB3 SER 32 HB3 SER 32 -9.504 3.930 2.936 255 HG SER 32 HG SER 32 -7.614 5.167 2.613 256 H GLY 33 H GLY 33 -10.710 1.900 3.239 257 HA2 GLY 33 HA2 GLY 33 -13.049 1.869 3.331 258 HA3 GLY 33 HA3 GLY 33 -13.141 1.920 1.565 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -14.512 -0.148 -1.136 2 H2 LYS 1 H2 LYS 1 -13.422 0.138 -2.363 3 H3 LYS 1 H3 LYS 1 -12.881 -0.281 -0.888 4 HA LYS 1 HA LYS 1 -13.641 -2.464 -1.025 5 HB2 LYS 1 HB2 LYS 1 -15.822 -1.963 -2.137 6 HB3 LYS 1 HB3 LYS 1 -14.964 -1.661 -3.646 7 HG2 LYS 1 HG2 LYS 1 -13.988 -4.182 -3.019 8 HG3 LYS 1 HG3 LYS 1 -15.529 -4.239 -2.204 9 HD2 LYS 1 HD2 LYS 1 -15.629 -5.219 -4.434 10 HD3 LYS 1 HD3 LYS 1 -16.706 -3.837 -4.310 11 HE2 LYS 1 HE2 LYS 1 -15.476 -4.043 -6.480 12 HE3 LYS 1 HE3 LYS 1 -15.308 -2.477 -5.690 13 HZ1 LYS 1 HZ1 LYS 1 -13.217 -3.487 -6.621 14 HZ2 LYS 1 HZ2 LYS 1 -13.103 -2.969 -5.076 15 HZ3 LYS 1 HZ3 LYS 1 -13.219 -4.566 -5.372 16 H LEU 2 H LEU 2 -11.574 -3.156 -1.187 17 HA LEU 2 HA LEU 2 -9.609 -2.427 -2.834 18 HB2 LEU 2 HB2 LEU 2 -9.764 -3.983 -0.763 19 HB3 LEU 2 HB3 LEU 2 -10.036 -5.285 -1.911 20 HG LEU 2 HG LEU 2 -7.807 -4.741 -2.952 21 HD11 LEU 2 HD11 LEU 2 -7.329 -3.024 -0.470 22 HD12 LEU 2 HD12 LEU 2 -6.245 -3.302 -1.841 23 HD13 LEU 2 HD13 LEU 2 -7.685 -2.320 -2.053 24 HD21 LEU 2 HD21 LEU 2 -8.020 -6.540 -1.306 25 HD22 LEU 2 HD22 LEU 2 -6.513 -5.670 -0.986 26 HD23 LEU 2 HD23 LEU 2 -7.921 -5.380 0.041 27 HA PRO 3 HA PRO 3 -10.695 -4.201 -6.833 28 HB2 PRO 3 HB2 PRO 3 -8.579 -3.331 -8.347 29 HB3 PRO 3 HB3 PRO 3 -9.875 -2.258 -7.740 30 HG2 PRO 3 HG2 PRO 3 -7.130 -2.713 -6.560 31 HG3 PRO 3 HG3 PRO 3 -7.978 -1.167 -6.832 32 HD2 PRO 3 HD2 PRO 3 -7.928 -2.478 -4.411 33 HD3 PRO 3 HD3 PRO 3 -9.309 -1.467 -4.945 34 HA PRO 4 HA PRO 4 -9.164 -8.191 -7.358 35 HB2 PRO 4 HB2 PRO 4 -8.427 -7.521 -10.218 36 HB3 PRO 4 HB3 PRO 4 -9.257 -8.975 -9.576 37 HG2 PRO 4 HG2 PRO 4 -10.704 -6.962 -10.645 38 HG3 PRO 4 HG3 PRO 4 -11.239 -7.716 -9.106 39 HD2 PRO 4 HD2 PRO 4 -9.772 -5.111 -9.519 40 HD3 PRO 4 HD3 PRO 4 -11.120 -5.497 -8.410 41 H GLY 5 H GLY 5 -7.440 -8.741 -6.182 42 HA2 GLY 5 HA2 GLY 5 -5.388 -9.716 -5.934 43 HA3 GLY 5 HA3 GLY 5 -4.927 -9.165 -7.544 44 H TRP 6 H TRP 6 -5.871 -6.372 -5.999 45 HA TRP 6 HA TRP 6 -3.098 -5.508 -5.514 46 HB2 TRP 6 HB2 TRP 6 -5.820 -4.165 -5.410 47 HB3 TRP 6 HB3 TRP 6 -4.333 -3.357 -4.956 48 HD1 TRP 6 HD1 TRP 6 -6.252 -4.483 -8.027 49 HE1 TRP 6 HE1 TRP 6 -5.172 -3.428 -10.118 50 HE3 TRP 6 HE3 TRP 6 -2.009 -2.598 -5.886 51 HZ2 TRP 6 HZ2 TRP 6 -2.757 -1.978 -10.773 52 HZ3 TRP 6 HZ3 TRP 6 -0.362 -1.383 -7.241 53 HH2 TRP 6 HH2 TRP 6 -0.696 -1.062 -9.679 54 H GLU 7 H GLU 7 -2.205 -6.224 -3.520 55 HA GLU 7 HA GLU 7 -3.673 -5.187 -1.196 56 HB2 GLU 7 HB2 GLU 7 -3.436 -7.289 0.131 57 HB3 GLU 7 HB3 GLU 7 -4.697 -7.163 -1.058 58 HG2 GLU 7 HG2 GLU 7 -3.918 -9.364 -1.189 59 HG3 GLU 7 HG3 GLU 7 -3.390 -8.557 -2.658 60 H LYS 8 H LYS 8 -2.601 -5.108 0.771 61 HA LYS 8 HA LYS 8 -0.537 -3.447 0.659 62 HB2 LYS 8 HB2 LYS 8 -0.570 -3.381 2.993 63 HB3 LYS 8 HB3 LYS 8 -2.207 -3.736 2.486 64 HG2 LYS 8 HG2 LYS 8 -0.213 -5.774 3.587 65 HG3 LYS 8 HG3 LYS 8 -1.420 -4.952 4.528 66 HD2 LYS 8 HD2 LYS 8 -3.094 -6.309 3.937 67 HD3 LYS 8 HD3 LYS 8 -2.653 -6.398 2.249 68 HE2 LYS 8 HE2 LYS 8 -1.179 -7.878 4.452 69 HE3 LYS 8 HE3 LYS 8 -2.508 -8.577 3.517 70 HZ1 LYS 8 HZ1 LYS 8 -0.074 -7.509 2.204 71 HZ2 LYS 8 HZ2 LYS 8 -0.232 -9.097 2.649 72 HZ3 LYS 8 HZ3 LYS 8 -1.213 -8.445 1.517 73 H ARG 9 H ARG 9 1.543 -3.261 0.984 74 HA ARG 9 HA ARG 9 3.293 -5.527 1.848 75 HB2 ARG 9 HB2 ARG 9 3.676 -3.753 -0.596 76 HB3 ARG 9 HB3 ARG 9 4.951 -4.775 0.070 77 HG2 ARG 9 HG2 ARG 9 2.347 -5.758 -1.136 78 HG3 ARG 9 HG3 ARG 9 3.913 -5.673 -1.948 79 HD2 ARG 9 HD2 ARG 9 4.899 -7.299 -0.467 80 HD3 ARG 9 HD3 ARG 9 3.432 -7.379 0.513 81 HE ARG 9 HE ARG 9 3.897 -8.662 -2.080 82 HH11 ARG 9 HH21 ARG 9 1.326 -7.441 0.039 83 HH12 ARG 9 HH22 ARG 9 0.166 -8.576 -0.607 84 HH21 ARG 9 HH11 ARG 9 2.174 -9.992 -2.968 85 HH22 ARG 9 HH12 ARG 9 0.556 -9.705 -2.289 86 H MET 10 H MET 10 5.255 -4.849 2.796 87 HA MET 10 HA MET 10 5.384 -2.084 3.813 88 HB2 MET 10 HB2 MET 10 5.833 -4.080 5.283 89 HB3 MET 10 HB3 MET 10 7.218 -4.475 4.253 90 HG2 MET 10 HG2 MET 10 7.982 -3.333 6.239 91 HG3 MET 10 HG3 MET 10 8.269 -2.311 4.836 92 HE1 MET 10 HE1 MET 10 8.632 -0.107 6.057 93 HE2 MET 10 HE2 MET 10 7.652 0.458 7.428 94 HE3 MET 10 HE3 MET 10 8.612 -1.032 7.578 95 H PHE 11 H PHE 11 6.897 -0.603 3.180 96 HA PHE 11 HA PHE 11 8.785 -1.283 0.979 97 HB2 PHE 11 HB2 PHE 11 6.992 0.459 0.541 98 HB3 PHE 11 HB3 PHE 11 7.725 1.443 1.787 99 HD1 PHE 11 HD1 PHE 11 8.547 -0.386 -1.397 100 HD2 PHE 11 HD2 PHE 11 9.414 2.993 1.146 101 HE1 PHE 11 HE1 PHE 11 10.081 0.523 -3.121 102 HE2 PHE 11 HE2 PHE 11 10.926 3.908 -0.601 103 HZ PHE 11 HZ PHE 11 11.271 2.671 -2.722 104 H ALA 12 H ALA 12 10.816 -1.544 1.677 105 HA ALA 12 HA ALA 12 11.595 -1.385 4.307 106 HB1 ALA 12 HB1 ALA 12 12.594 -2.819 2.575 107 HB2 ALA 12 HB2 ALA 12 13.340 -1.394 1.809 108 HB3 ALA 12 HB3 ALA 12 13.838 -1.898 3.437 109 H ASN 13 H ASN 13 11.648 1.368 2.129 110 HA ASN 13 HA ASN 13 13.597 2.878 3.667 111 HB2 ASN 13 HB2 ASN 13 12.732 3.120 1.158 112 HB3 ASN 13 HB3 ASN 13 11.517 4.165 1.907 113 HD21 ASN 13 HD22 ASN 13 12.944 5.604 3.806 114 HD22 ASN 13 HD21 ASN 13 14.225 6.487 2.950 115 H GLY 14 H GLY 14 10.460 1.869 4.481 116 HA2 GLY 14 HA2 GLY 14 9.511 2.373 6.608 117 HA3 GLY 14 HA3 GLY 14 10.199 4.001 6.557 118 H THR 15 H THR 15 7.975 1.934 4.553 119 HA THR 15 HA THR 15 5.782 3.831 4.733 120 HB THR 15 HB THR 15 7.505 3.633 2.248 121 HG1 THR 15 HG1 THR 15 7.464 5.305 4.052 122 HG21 THR 15 HG21 THR 15 5.822 4.963 1.004 123 HG22 THR 15 HG22 THR 15 5.314 3.297 1.265 124 HG23 THR 15 HG23 THR 15 4.624 4.610 2.263 125 H VAL 16 H VAL 16 3.889 2.903 3.272 126 HA VAL 16 HA VAL 16 4.157 -0.018 2.838 127 HB VAL 16 HB VAL 16 2.079 1.449 4.447 128 HG11 VAL 16 HG11 VAL 16 1.422 -1.101 2.910 129 HG12 VAL 16 HG12 VAL 16 0.460 -0.388 4.217 130 HG13 VAL 16 HG13 VAL 16 0.646 0.487 2.699 131 HG21 VAL 16 HG21 VAL 16 3.881 0.048 5.482 132 HG22 VAL 16 HG22 VAL 16 2.259 -0.575 5.826 133 HG23 VAL 16 HG23 VAL 16 3.260 -1.357 4.583 134 H TYR 17 H TYR 17 3.008 -0.814 1.088 135 HA TYR 17 HA TYR 17 1.623 1.130 -0.677 136 HB2 TYR 17 HB2 TYR 17 3.030 0.745 -2.540 137 HB3 TYR 17 HB3 TYR 17 4.100 1.048 -1.215 138 HD1 TYR 17 HD1 TYR 17 5.373 -0.815 -0.138 139 HD2 TYR 17 HD2 TYR 17 3.064 -1.407 -3.738 140 HE1 TYR 17 HE1 TYR 17 6.757 -2.809 -0.707 141 HE2 TYR 17 HE2 TYR 17 4.401 -3.405 -4.265 142 HH TYR 17 HH TYR 17 6.257 -4.642 -3.720 143 H TYR 18 H TYR 18 0.717 -0.191 -2.679 144 HA TYR 18 HA TYR 18 -0.183 -2.901 -1.802 145 HB2 TYR 18 HB2 TYR 18 -1.564 -0.678 -3.319 146 HB3 TYR 18 HB3 TYR 18 -2.054 -2.362 -3.511 147 HD1 TYR 18 HD2 TYR 18 -1.277 0.083 -0.733 148 HD2 TYR 18 HD1 TYR 18 -3.737 -3.179 -2.116 149 HE1 TYR 18 HE2 TYR 18 -2.351 0.017 1.421 150 HE2 TYR 18 HE1 TYR 18 -4.928 -3.178 0.081 151 HH TYR 18 HH TYR 18 -5.391 -1.506 1.957 152 H PHE 19 H PHE 19 0.245 -4.606 -2.977 153 HA PHE 19 HA PHE 19 1.603 -4.322 -5.620 154 HB2 PHE 19 HB2 PHE 19 3.012 -5.233 -3.902 155 HB3 PHE 19 HB3 PHE 19 1.760 -6.334 -3.358 156 HD1 PHE 19 HD2 PHE 19 1.204 -8.411 -4.714 157 HD2 PHE 19 HD1 PHE 19 4.477 -5.778 -5.737 158 HE1 PHE 19 HE2 PHE 19 2.283 -10.214 -6.034 159 HE2 PHE 19 HE1 PHE 19 5.455 -7.551 -7.146 160 HZ PHE 19 HZ PHE 19 4.338 -9.766 -7.328 161 H ASN 20 H ASN 20 0.728 -5.400 -7.355 162 HA ASN 20 HA ASN 20 -1.888 -6.702 -6.919 163 HB2 ASN 20 HB2 ASN 20 -1.685 -4.890 -8.604 164 HB3 ASN 20 HB3 ASN 20 -0.554 -5.904 -9.503 165 HD21 ASN 20 HD22 ASN 20 -3.910 -5.539 -8.442 166 HD22 ASN 20 HD21 ASN 20 -4.587 -6.880 -9.301 167 H HIS 21 H HIS 21 -1.576 -8.808 -6.245 168 HA HIS 21 HA HIS 21 0.634 -10.355 -7.328 169 HB2 HIS 21 HB2 HIS 21 -0.097 -12.099 -5.831 170 HB3 HIS 21 HB3 HIS 21 -0.041 -10.557 -5.014 171 HD1 HIS 21 HD1 HIS 21 -1.965 -10.278 -3.408 172 HD2 HIS 21 HD2 HIS 21 -2.937 -12.536 -6.846 173 HE1 HIS 21 HE1 HIS 21 -4.443 -10.953 -3.200 174 H ILE 22 H ILE 22 -2.039 -9.569 -9.017 175 HA ILE 22 HA ILE 22 -2.175 -12.196 -10.423 176 HB ILE 22 HB ILE 22 -3.853 -9.669 -10.663 177 HG12 ILE 22 HG12 ILE 22 -4.562 -12.457 -9.631 178 HG13 ILE 22 HG13 ILE 22 -4.229 -11.068 -8.607 179 HG21 ILE 22 HG21 ILE 22 -3.711 -10.724 -12.879 180 HG22 ILE 22 HG22 ILE 22 -4.123 -12.303 -12.178 181 HG23 ILE 22 HG23 ILE 22 -5.304 -10.974 -12.209 182 HD11 ILE 22 HD11 ILE 22 -6.170 -9.864 -9.699 183 HD12 ILE 22 HD12 ILE 22 -6.609 -11.421 -10.446 184 HD13 ILE 22 HD13 ILE 22 -6.577 -11.263 -8.685 185 H THR 23 H THR 23 -0.640 -9.071 -10.566 186 HA THR 23 HA THR 23 0.325 -9.604 -13.364 187 HB THR 23 HB THR 23 0.056 -7.199 -13.819 188 HG1 THR 23 HG1 THR 23 -1.353 -7.121 -11.363 189 HG21 THR 23 HG21 THR 23 -1.848 -8.701 -14.390 190 HG22 THR 23 HG22 THR 23 -2.590 -8.333 -12.819 191 HG23 THR 23 HG23 THR 23 -2.343 -7.040 -14.009 192 H ASN 24 H ASN 24 1.338 -8.794 -10.156 193 HA ASN 24 HA ASN 24 3.186 -8.093 -9.245 194 HB2 ASN 24 HB2 ASN 24 4.201 -9.645 -11.093 195 HB3 ASN 24 HB3 ASN 24 4.739 -8.141 -11.833 196 HD21 ASN 24 HD22 ASN 24 5.826 -6.610 -10.015 197 HD22 ASN 24 HD21 ASN 24 7.103 -7.499 -9.151 198 H ALA 25 H ALA 25 1.261 -6.170 -11.000 199 HA ALA 25 HA ALA 25 2.863 -3.780 -11.196 200 HB1 ALA 25 HB1 ALA 25 0.723 -2.633 -11.360 201 HB2 ALA 25 HB2 ALA 25 0.672 -4.113 -12.334 202 HB3 ALA 25 HB3 ALA 25 -0.141 -4.057 -10.756 203 H SER 26 H SER 26 2.449 -1.775 -9.697 204 HA SER 26 HA SER 26 1.720 -2.349 -6.939 205 HB2 SER 26 HB2 SER 26 4.615 -1.870 -7.721 206 HB3 SER 26 HB3 SER 26 3.987 -1.609 -6.078 207 HG SER 26 HG SER 26 3.307 -4.014 -7.313 208 H GLN 27 H GLN 27 1.368 -0.480 -5.707 209 HA GLN 27 HA GLN 27 2.198 2.135 -6.729 210 HB2 GLN 27 HB2 GLN 27 -0.250 1.155 -7.624 211 HB3 GLN 27 HB3 GLN 27 -0.735 2.033 -6.188 212 HG2 GLN 27 HG2 GLN 27 0.871 3.131 -8.546 213 HG3 GLN 27 HG3 GLN 27 -0.848 3.387 -8.262 214 HE21 GLN 27 HE22 GLN 27 -1.539 4.990 -6.722 215 HE22 GLN 27 HE21 GLN 27 -0.328 6.073 -6.010 216 H PHE 28 H PHE 28 2.000 3.804 -5.135 217 HA PHE 28 HA PHE 28 2.212 2.804 -2.387 218 HB2 PHE 28 HB2 PHE 28 2.709 5.495 -3.701 219 HB3 PHE 28 HB3 PHE 28 2.947 5.182 -1.985 220 HD1 PHE 28 HD2 PHE 28 4.493 3.276 -1.275 221 HD2 PHE 28 HD1 PHE 28 4.485 4.942 -5.247 222 HE1 PHE 28 HE2 PHE 28 6.784 2.381 -1.653 223 HE2 PHE 28 HE1 PHE 28 6.769 4.040 -5.629 224 HZ PHE 28 HZ PHE 28 7.922 2.763 -3.826 225 H GLU 29 H GLU 29 -0.456 3.960 -4.135 226 HA GLU 29 HA GLU 29 -1.800 5.323 -1.945 227 HB2 GLU 29 HB2 GLU 29 -3.746 5.208 -3.350 228 HB3 GLU 29 HB3 GLU 29 -2.367 5.586 -4.377 229 HG2 GLU 29 HG2 GLU 29 -2.247 3.044 -4.877 230 HG3 GLU 29 HG3 GLU 29 -3.814 2.910 -4.081 231 H ARG 30 H ARG 30 -3.903 4.428 -1.120 232 HA ARG 30 HA ARG 30 -3.846 1.509 -0.551 233 HB2 ARG 30 HB2 ARG 30 -3.513 2.745 1.479 234 HB3 ARG 30 HB3 ARG 30 -4.929 3.773 1.172 235 HG2 ARG 30 HG2 ARG 30 -6.448 1.920 1.437 236 HG3 ARG 30 HG3 ARG 30 -5.134 0.752 1.304 237 HD2 ARG 30 HD2 ARG 30 -4.191 1.618 3.458 238 HD3 ARG 30 HD3 ARG 30 -5.630 2.655 3.619 239 HE ARG 30 HE ARG 30 -6.417 -0.078 3.153 240 HH11 ARG 30 HH11 ARG 30 -4.876 1.728 5.719 241 HH12 ARG 30 HH12 ARG 30 -5.433 0.635 6.968 242 HH21 ARG 30 HH21 ARG 30 -7.245 -1.322 4.731 243 HH22 ARG 30 HH22 ARG 30 -6.772 -1.112 6.413 244 HA PRO 31 HA PRO 31 -7.140 2.488 -3.497 245 HB2 PRO 31 HB2 PRO 31 -7.269 0.172 -4.887 246 HB3 PRO 31 HB3 PRO 31 -5.885 1.291 -4.958 247 HG2 PRO 31 HG2 PRO 31 -6.112 -1.259 -3.355 248 HG3 PRO 31 HG3 PRO 31 -4.740 -0.688 -4.348 249 HD2 PRO 31 HD2 PRO 31 -5.013 -0.332 -1.580 250 HD3 PRO 31 HD3 PRO 31 -3.962 0.661 -2.617 251 H SER 32 H SER 32 -8.155 2.473 -1.199 252 HA SER 32 HA SER 32 -10.057 2.262 0.010 253 HB2 SER 32 HB2 SER 32 -12.110 2.004 -1.153 254 HB3 SER 32 HB3 SER 32 -10.970 2.806 -2.242 255 HG SER 32 HG SER 32 -10.500 0.506 -2.939 256 H GLY 33 H GLY 33 -8.216 0.026 0.326 257 HA2 GLY 33 HA2 GLY 33 -10.004 -1.579 1.965 258 HA3 GLY 33 HA3 GLY 33 -9.097 -2.495 0.759 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -12.061 1.373 -4.162 2 H2 LYS 1 H2 LYS 1 -11.008 0.519 -3.342 3 H3 LYS 1 H3 LYS 1 -11.921 -0.235 -4.532 4 HA LYS 1 HA LYS 1 -10.923 1.359 -6.139 5 HB2 LYS 1 HB2 LYS 1 -8.934 2.517 -5.640 6 HB3 LYS 1 HB3 LYS 1 -10.108 2.905 -4.391 7 HG2 LYS 1 HG2 LYS 1 -8.918 1.096 -2.945 8 HG3 LYS 1 HG3 LYS 1 -7.676 1.075 -4.198 9 HD2 LYS 1 HD2 LYS 1 -6.937 2.482 -2.414 10 HD3 LYS 1 HD3 LYS 1 -7.266 3.517 -3.810 11 HE2 LYS 1 HE2 LYS 1 -9.379 4.249 -2.863 12 HE3 LYS 1 HE3 LYS 1 -9.308 3.018 -1.602 13 HZ1 LYS 1 HZ1 LYS 1 -8.676 5.164 -0.753 14 HZ2 LYS 1 HZ2 LYS 1 -7.357 4.145 -0.697 15 HZ3 LYS 1 HZ3 LYS 1 -7.375 5.272 -1.839 16 H LEU 2 H LEU 2 -9.314 -1.104 -3.987 17 HA LEU 2 HA LEU 2 -7.308 -1.809 -5.755 18 HB2 LEU 2 HB2 LEU 2 -8.811 -3.527 -3.752 19 HB3 LEU 2 HB3 LEU 2 -7.323 -3.982 -4.549 20 HG LEU 2 HG LEU 2 -7.712 -1.801 -2.483 21 HD11 LEU 2 HD11 LEU 2 -6.062 -3.240 -1.260 22 HD12 LEU 2 HD12 LEU 2 -7.536 -4.123 -1.680 23 HD13 LEU 2 HD13 LEU 2 -6.051 -4.365 -2.621 24 HD21 LEU 2 HD21 LEU 2 -5.258 -1.397 -2.619 25 HD22 LEU 2 HD22 LEU 2 -5.189 -2.394 -4.085 26 HD23 LEU 2 HD23 LEU 2 -6.101 -0.871 -4.077 27 HA PRO 3 HA PRO 3 -9.627 -4.206 -8.868 28 HB2 PRO 3 HB2 PRO 3 -6.886 -4.572 -10.018 29 HB3 PRO 3 HB3 PRO 3 -8.378 -4.018 -10.821 30 HG2 PRO 3 HG2 PRO 3 -6.364 -2.277 -10.210 31 HG3 PRO 3 HG3 PRO 3 -8.089 -1.809 -10.068 32 HD2 PRO 3 HD2 PRO 3 -6.206 -2.673 -7.866 33 HD3 PRO 3 HD3 PRO 3 -7.376 -1.339 -7.902 34 HA PRO 4 HA PRO 4 -8.708 -8.500 -7.795 35 HB2 PRO 4 HB2 PRO 4 -8.022 -8.978 -10.702 36 HB3 PRO 4 HB3 PRO 4 -9.030 -9.974 -9.604 37 HG2 PRO 4 HG2 PRO 4 -10.209 -8.321 -11.391 38 HG3 PRO 4 HG3 PRO 4 -10.825 -8.389 -9.707 39 HD2 PRO 4 HD2 PRO 4 -8.985 -6.339 -10.957 40 HD3 PRO 4 HD3 PRO 4 -10.398 -6.083 -9.883 41 H GLY 5 H GLY 5 -6.958 -9.447 -6.885 42 HA2 GLY 5 HA2 GLY 5 -4.847 -10.381 -6.757 43 HA3 GLY 5 HA3 GLY 5 -4.379 -9.551 -8.238 44 H TRP 6 H TRP 6 -5.551 -7.024 -6.378 45 HA TRP 6 HA TRP 6 -2.824 -6.228 -5.676 46 HB2 TRP 6 HB2 TRP 6 -5.502 -4.857 -5.508 47 HB3 TRP 6 HB3 TRP 6 -3.996 -4.148 -4.927 48 HD1 TRP 6 HD1 TRP 6 -5.494 -5.461 -8.233 49 HE1 TRP 6 HE1 TRP 6 -4.439 -4.192 -10.204 50 HE3 TRP 6 HE3 TRP 6 -2.083 -2.666 -5.655 51 HZ2 TRP 6 HZ2 TRP 6 -2.333 -2.275 -10.614 52 HZ3 TRP 6 HZ3 TRP 6 -0.592 -1.131 -6.845 53 HH2 TRP 6 HH2 TRP 6 -0.666 -0.926 -9.328 54 H GLU 7 H GLU 7 -1.821 -6.453 -3.816 55 HA GLU 7 HA GLU 7 -3.301 -7.126 -1.325 56 HB2 GLU 7 HB2 GLU 7 -1.861 -8.838 -3.074 57 HB3 GLU 7 HB3 GLU 7 -0.744 -8.534 -1.762 58 HG2 GLU 7 HG2 GLU 7 -3.638 -9.393 -1.286 59 HG3 GLU 7 HG3 GLU 7 -2.345 -10.549 -1.611 60 H LYS 8 H LYS 8 -1.903 -6.933 0.669 61 HA LYS 8 HA LYS 8 -0.723 -4.245 0.584 62 HB2 LYS 8 HB2 LYS 8 -1.173 -4.178 2.909 63 HB3 LYS 8 HB3 LYS 8 -2.541 -4.976 2.142 64 HG2 LYS 8 HG2 LYS 8 -1.291 -7.206 2.817 65 HG3 LYS 8 HG3 LYS 8 -0.384 -6.148 3.893 66 HD2 LYS 8 HD2 LYS 8 -2.171 -7.087 5.174 67 HD3 LYS 8 HD3 LYS 8 -2.555 -5.388 4.905 68 HE2 LYS 8 HE2 LYS 8 -4.564 -6.698 4.631 69 HE3 LYS 8 HE3 LYS 8 -4.107 -6.040 3.058 70 HZ1 LYS 8 HZ1 LYS 8 -3.214 -8.198 2.436 71 HZ2 LYS 8 HZ2 LYS 8 -3.481 -8.803 3.938 72 HZ3 LYS 8 HZ3 LYS 8 -4.743 -8.400 2.958 73 H ARG 9 H ARG 9 1.391 -3.743 0.747 74 HA ARG 9 HA ARG 9 3.320 -5.711 1.921 75 HB2 ARG 9 HB2 ARG 9 3.602 -4.439 -0.829 76 HB3 ARG 9 HB3 ARG 9 4.858 -5.383 -0.029 77 HG2 ARG 9 HG2 ARG 9 2.156 -6.420 -0.961 78 HG3 ARG 9 HG3 ARG 9 3.691 -6.637 -1.790 79 HD2 ARG 9 HD2 ARG 9 4.577 -8.047 -0.069 80 HD3 ARG 9 HD3 ARG 9 3.229 -7.726 1.009 81 HE ARG 9 HE ARG 9 3.165 -9.393 -1.467 82 HH11 ARG 9 HH11 ARG 9 1.297 -8.297 1.371 83 HH12 ARG 9 HH12 ARG 9 0.155 -9.622 1.116 84 HH21 ARG 9 HH21 ARG 9 1.422 -10.988 -1.610 85 HH22 ARG 9 HH22 ARG 9 0.173 -10.820 -0.354 86 H MET 10 H MET 10 5.446 -4.808 2.393 87 HA MET 10 HA MET 10 5.338 -1.900 2.919 88 HB2 MET 10 HB2 MET 10 6.653 -2.101 4.820 89 HB3 MET 10 HB3 MET 10 5.344 -3.247 4.949 90 HG2 MET 10 HG2 MET 10 7.199 -4.382 5.794 91 HG3 MET 10 HG3 MET 10 6.971 -5.056 4.189 92 HE1 MET 10 HE1 MET 10 10.439 -2.170 5.371 93 HE2 MET 10 HE2 MET 10 8.807 -1.543 5.085 94 HE3 MET 10 HE3 MET 10 9.112 -2.639 6.459 95 H PHE 11 H PHE 11 6.993 -0.602 2.388 96 HA PHE 11 HA PHE 11 8.913 -1.703 0.392 97 HB2 PHE 11 HB2 PHE 11 7.140 0.169 -0.130 98 HB3 PHE 11 HB3 PHE 11 8.244 1.224 0.718 99 HD1 PHE 11 HD1 PHE 11 7.812 -1.049 -2.195 100 HD2 PHE 11 HD2 PHE 11 10.364 1.903 -0.359 101 HE1 PHE 11 HE1 PHE 11 9.139 -0.893 -4.281 102 HE2 PHE 11 HE2 PHE 11 11.693 2.049 -2.443 103 HZ PHE 11 HZ PHE 11 11.084 0.653 -4.409 104 H ALA 12 H ALA 12 11.077 -1.036 0.418 105 HA ALA 12 HA ALA 12 12.275 -1.294 2.907 106 HB1 ALA 12 HB1 ALA 12 13.471 -0.351 0.267 107 HB2 ALA 12 HB2 ALA 12 14.370 -1.037 1.637 108 HB3 ALA 12 HB3 ALA 12 13.208 -2.043 0.755 109 H ASN 13 H ASN 13 11.154 1.734 1.636 110 HA ASN 13 HA ASN 13 13.087 3.362 3.126 111 HB2 ASN 13 HB2 ASN 13 11.918 5.215 2.250 112 HB3 ASN 13 HB3 ASN 13 11.900 4.040 0.939 113 HD21 ASN 13 HD22 ASN 13 9.967 5.820 3.274 114 HD22 ASN 13 HD21 ASN 13 8.411 5.230 2.718 115 H GLY 14 H GLY 14 10.417 1.454 4.061 116 HA2 GLY 14 HA2 GLY 14 9.404 1.332 6.175 117 HA3 GLY 14 HA3 GLY 14 10.021 2.937 6.598 118 H THR 15 H THR 15 7.785 1.394 4.170 119 HA THR 15 HA THR 15 5.582 3.125 4.990 120 HB THR 15 HB THR 15 6.877 3.386 2.241 121 HG1 THR 15 HG1 THR 15 7.183 4.681 4.470 122 HG21 THR 15 HG21 THR 15 4.187 4.469 3.175 123 HG22 THR 15 HG22 THR 15 5.090 5.103 1.788 124 HG23 THR 15 HG23 THR 15 4.515 3.437 1.752 125 H VAL 16 H VAL 16 3.526 2.394 3.831 126 HA VAL 16 HA VAL 16 3.772 -0.398 2.829 127 HB VAL 16 HB VAL 16 1.757 0.853 4.665 128 HG11 VAL 16 HG11 VAL 16 0.184 -1.011 4.274 129 HG12 VAL 16 HG12 VAL 16 0.295 0.038 2.860 130 HG13 VAL 16 HG13 VAL 16 1.129 -1.534 2.865 131 HG21 VAL 16 HG21 VAL 16 2.045 -1.309 5.805 132 HG22 VAL 16 HG22 VAL 16 3.007 -1.924 4.441 133 HG23 VAL 16 HG23 VAL 16 3.640 -0.611 5.465 134 H TYR 17 H TYR 17 2.808 -0.995 1.041 135 HA TYR 17 HA TYR 17 1.306 0.954 -0.604 136 HB2 TYR 17 HB2 TYR 17 2.750 0.671 -2.468 137 HB3 TYR 17 HB3 TYR 17 3.803 1.029 -1.133 138 HD1 TYR 17 HD1 TYR 17 5.082 -0.931 -0.033 139 HD2 TYR 17 HD2 TYR 17 2.935 -1.343 -3.755 140 HE1 TYR 17 HE1 TYR 17 6.457 -2.945 -0.637 141 HE2 TYR 17 HE2 TYR 17 4.281 -3.321 -4.317 142 HH TYR 17 HH TYR 17 6.066 -4.643 -3.722 143 H TYR 18 H TYR 18 0.558 -0.350 -2.686 144 HA TYR 18 HA TYR 18 -0.162 -3.118 -1.888 145 HB2 TYR 18 HB2 TYR 18 -1.880 -0.975 -3.124 146 HB3 TYR 18 HB3 TYR 18 -2.246 -2.693 -3.311 147 HD1 TYR 18 HD2 TYR 18 -1.355 -0.245 -0.577 148 HD2 TYR 18 HD1 TYR 18 -3.651 -3.724 -1.684 149 HE1 TYR 18 HE2 TYR 18 -1.948 -0.561 1.750 150 HE2 TYR 18 HE1 TYR 18 -4.372 -3.974 0.674 151 HH TYR 18 HH TYR 18 -3.161 -1.843 3.273 152 H PHE 19 H PHE 19 0.138 -4.700 -3.165 153 HA PHE 19 HA PHE 19 1.716 -4.378 -5.671 154 HB2 PHE 19 HB2 PHE 19 2.998 -5.135 -3.731 155 HB3 PHE 19 HB3 PHE 19 1.757 -6.293 -3.308 156 HD1 PHE 19 HD2 PHE 19 4.530 -5.589 -5.670 157 HD2 PHE 19 HD1 PHE 19 1.626 -8.494 -4.341 158 HE1 PHE 19 HE2 PHE 19 5.705 -7.350 -6.938 159 HE2 PHE 19 HE1 PHE 19 2.865 -10.263 -5.554 160 HZ PHE 19 HZ PHE 19 4.851 -9.681 -6.932 161 H ASN 20 H ASN 20 0.877 -5.377 -7.483 162 HA ASN 20 HA ASN 20 -1.521 -7.049 -7.185 163 HB2 ASN 20 HB2 ASN 20 -1.382 -5.294 -8.932 164 HB3 ASN 20 HB3 ASN 20 -0.065 -6.199 -9.688 165 HD21 ASN 20 HD22 ASN 20 -3.491 -6.179 -8.928 166 HD22 ASN 20 HD21 ASN 20 -3.984 -7.559 -9.859 167 H HIS 21 H HIS 21 -1.087 -9.079 -6.448 168 HA HIS 21 HA HIS 21 1.376 -10.438 -7.126 169 HB2 HIS 21 HB2 HIS 21 0.604 -12.177 -5.678 170 HB3 HIS 21 HB3 HIS 21 0.282 -10.627 -4.937 171 HD1 HIS 21 HD1 HIS 21 -2.148 -10.337 -4.040 172 HD2 HIS 21 HD2 HIS 21 -1.733 -13.298 -6.999 173 HE1 HIS 21 HE1 HIS 21 -4.391 -11.549 -4.177 174 H ILE 22 H ILE 22 -1.155 -9.983 -9.184 175 HA ILE 22 HA ILE 22 -0.841 -12.637 -10.499 176 HB ILE 22 HB ILE 22 -2.753 -10.338 -11.056 177 HG12 ILE 22 HG12 ILE 22 -3.287 -11.389 -8.902 178 HG13 ILE 22 HG13 ILE 22 -4.524 -11.676 -10.105 179 HG21 ILE 22 HG21 ILE 22 -4.008 -12.039 -12.424 180 HG22 ILE 22 HG22 ILE 22 -2.466 -11.533 -13.111 181 HG23 ILE 22 HG23 ILE 22 -2.589 -13.104 -12.300 182 HD11 ILE 22 HD11 ILE 22 -4.100 -13.655 -8.709 183 HD12 ILE 22 HD12 ILE 22 -3.738 -13.998 -10.408 184 HD13 ILE 22 HD13 ILE 22 -2.414 -13.710 -9.254 185 H THR 23 H THR 23 0.317 -9.369 -10.640 186 HA THR 23 HA THR 23 1.539 -9.847 -13.347 187 HB THR 23 HB THR 23 1.015 -7.512 -13.921 188 HG1 THR 23 HG1 THR 23 -0.585 -7.534 -11.586 189 HG21 THR 23 HG21 THR 23 -0.638 -9.255 -14.573 190 HG22 THR 23 HG22 THR 23 -1.545 -8.938 -13.080 191 HG23 THR 23 HG23 THR 23 -1.364 -7.660 -14.297 192 H ASN 24 H ASN 24 2.181 -8.830 -10.104 193 HA ASN 24 HA ASN 24 3.847 -7.875 -9.084 194 HB2 ASN 24 HB2 ASN 24 5.191 -9.329 -10.798 195 HB3 ASN 24 HB3 ASN 24 5.603 -7.784 -11.537 196 HD21 ASN 24 HD22 ASN 24 6.335 -6.096 -9.684 197 HD22 ASN 24 HD21 ASN 24 7.617 -6.799 -8.672 198 H ALA 25 H ALA 25 1.853 -6.247 -11.065 199 HA ALA 25 HA ALA 25 3.156 -3.679 -11.208 200 HB1 ALA 25 HB1 ALA 25 0.899 -2.800 -11.505 201 HB2 ALA 25 HB2 ALA 25 1.092 -4.279 -12.464 202 HB3 ALA 25 HB3 ALA 25 0.184 -4.318 -10.938 203 H SER 26 H SER 26 2.493 -1.719 -9.741 204 HA SER 26 HA SER 26 1.740 -2.351 -6.994 205 HB2 SER 26 HB2 SER 26 4.621 -1.708 -7.729 206 HB3 SER 26 HB3 SER 26 3.958 -1.505 -6.092 207 HG SER 26 HG SER 26 3.429 -3.925 -7.369 208 H GLN 27 H GLN 27 1.321 -0.530 -5.727 209 HA GLN 27 HA GLN 27 2.023 2.134 -6.702 210 HB2 GLN 27 HB2 GLN 27 -0.038 1.548 -7.986 211 HB3 GLN 27 HB3 GLN 27 -0.893 1.247 -6.474 212 HG2 GLN 27 HG2 GLN 27 -1.440 3.435 -7.504 213 HG3 GLN 27 HG3 GLN 27 -0.794 3.598 -5.882 214 HE21 GLN 27 HE22 GLN 27 -0.267 4.462 -9.281 215 HE22 GLN 27 HE21 GLN 27 1.205 5.348 -8.915 216 H PHE 28 H PHE 28 1.832 3.727 -5.114 217 HA PHE 28 HA PHE 28 1.978 2.749 -2.353 218 HB2 PHE 28 HB2 PHE 28 2.820 5.192 -3.861 219 HB3 PHE 28 HB3 PHE 28 2.497 5.379 -2.153 220 HD1 PHE 28 HD2 PHE 28 4.247 2.766 -4.285 221 HD2 PHE 28 HD1 PHE 28 4.350 5.275 -0.771 222 HE1 PHE 28 HE2 PHE 28 6.477 1.867 -3.700 223 HE2 PHE 28 HE1 PHE 28 6.598 4.378 -0.210 224 HZ PHE 28 HZ PHE 28 7.663 2.695 -1.676 225 H GLU 29 H GLU 29 -0.710 3.350 -4.024 226 HA GLU 29 HA GLU 29 -2.095 4.958 -2.028 227 HB2 GLU 29 HB2 GLU 29 -2.752 4.144 -4.684 228 HB3 GLU 29 HB3 GLU 29 -3.992 3.519 -3.599 229 HG2 GLU 29 HG2 GLU 29 -3.035 6.418 -3.678 230 HG3 GLU 29 HG3 GLU 29 -4.480 5.808 -4.479 231 H ARG 30 H ARG 30 -3.856 4.095 -0.686 232 HA ARG 30 HA ARG 30 -3.586 1.188 -0.073 233 HB2 ARG 30 HB2 ARG 30 -3.776 3.357 2.053 234 HB3 ARG 30 HB3 ARG 30 -3.757 1.641 2.322 235 HG2 ARG 30 HG2 ARG 30 -1.582 1.628 2.538 236 HG3 ARG 30 HG3 ARG 30 -1.345 2.148 0.882 237 HD2 ARG 30 HD2 ARG 30 -1.862 4.119 3.167 238 HD3 ARG 30 HD3 ARG 30 -0.259 3.481 2.811 239 HE ARG 30 HE ARG 30 -0.139 4.644 0.796 240 HH11 ARG 30 HH11 ARG 30 -3.448 5.235 2.000 241 HH12 ARG 30 HH12 ARG 30 -3.717 6.137 0.497 242 HH21 ARG 30 HH21 ARG 30 -0.671 6.035 -0.692 243 HH22 ARG 30 HH22 ARG 30 -2.325 6.684 -0.729 244 HA PRO 31 HA PRO 31 -8.015 1.091 -0.193 245 HB2 PRO 31 HB2 PRO 31 -7.896 -0.378 2.441 246 HB3 PRO 31 HB3 PRO 31 -8.839 -0.774 0.966 247 HG2 PRO 31 HG2 PRO 31 -6.557 -2.077 1.514 248 HG3 PRO 31 HG3 PRO 31 -6.867 -1.538 -0.165 249 HD2 PRO 31 HD2 PRO 31 -5.089 -0.255 1.895 250 HD3 PRO 31 HD3 PRO 31 -4.829 -0.513 0.133 251 H SER 32 H SER 32 -9.833 1.753 0.770 252 HA SER 32 HA SER 32 -11.117 3.026 2.525 253 HB2 SER 32 HB2 SER 32 -8.844 5.034 2.241 254 HB3 SER 32 HB3 SER 32 -10.384 5.291 3.086 255 HG SER 32 HG SER 32 -8.371 3.391 3.631 256 H GLY 33 H GLY 33 -12.339 2.652 0.666 257 HA2 GLY 33 HA2 GLY 33 -13.660 3.671 -1.063 258 HA3 GLY 33 HA3 GLY 33 -12.296 4.714 -1.488 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -12.819 0.870 -2.332 2 H2 LYS 1 H2 LYS 1 -13.426 2.203 -3.092 3 H3 LYS 1 H3 LYS 1 -12.100 2.342 -2.140 4 HA LYS 1 HA LYS 1 -12.247 0.882 -4.696 5 HB2 LYS 1 HB2 LYS 1 -12.183 3.103 -5.254 6 HB3 LYS 1 HB3 LYS 1 -11.249 3.596 -3.874 7 HG2 LYS 1 HG2 LYS 1 -10.059 1.977 -6.178 8 HG3 LYS 1 HG3 LYS 1 -10.193 3.725 -6.200 9 HD2 LYS 1 HD2 LYS 1 -8.388 2.077 -4.401 10 HD3 LYS 1 HD3 LYS 1 -7.963 3.271 -5.616 11 HE2 LYS 1 HE2 LYS 1 -9.046 5.053 -4.243 12 HE3 LYS 1 HE3 LYS 1 -9.411 3.848 -2.994 13 HZ1 LYS 1 HZ1 LYS 1 -7.059 3.523 -2.649 14 HZ2 LYS 1 HZ2 LYS 1 -6.686 4.651 -3.866 15 HZ3 LYS 1 HZ3 LYS 1 -7.468 5.106 -2.513 16 H LEU 2 H LEU 2 -10.829 -0.738 -5.003 17 HA LEU 2 HA LEU 2 -8.135 -0.582 -4.056 18 HB2 LEU 2 HB2 LEU 2 -9.378 -1.548 -2.092 19 HB3 LEU 2 HB3 LEU 2 -9.897 -2.885 -3.083 20 HG LEU 2 HG LEU 2 -7.939 -3.116 -1.423 21 HD11 LEU 2 HD11 LEU 2 -6.782 -4.793 -2.715 22 HD12 LEU 2 HD12 LEU 2 -8.537 -4.910 -2.938 23 HD13 LEU 2 HD13 LEU 2 -7.530 -4.192 -4.210 24 HD21 LEU 2 HD21 LEU 2 -6.268 -2.094 -3.746 25 HD22 LEU 2 HD22 LEU 2 -6.606 -1.140 -2.287 26 HD23 LEU 2 HD23 LEU 2 -5.700 -2.659 -2.179 27 HA PRO 3 HA PRO 3 -8.694 -2.299 -8.168 28 HB2 PRO 3 HB2 PRO 3 -5.704 -2.521 -8.231 29 HB3 PRO 3 HB3 PRO 3 -6.798 -1.804 -9.446 30 HG2 PRO 3 HG2 PRO 3 -5.401 -0.198 -7.780 31 HG3 PRO 3 HG3 PRO 3 -7.127 0.149 -8.116 32 HD2 PRO 3 HD2 PRO 3 -5.932 -1.271 -5.729 33 HD3 PRO 3 HD3 PRO 3 -7.152 0.037 -5.774 34 HA PRO 4 HA PRO 4 -8.740 -6.671 -8.186 35 HB2 PRO 4 HB2 PRO 4 -7.239 -6.612 -10.817 36 HB3 PRO 4 HB3 PRO 4 -8.676 -7.583 -10.360 37 HG2 PRO 4 HG2 PRO 4 -8.982 -5.315 -11.797 38 HG3 PRO 4 HG3 PRO 4 -10.085 -5.650 -10.422 39 HD2 PRO 4 HD2 PRO 4 -7.687 -3.815 -10.510 40 HD3 PRO 4 HD3 PRO 4 -9.294 -3.556 -9.766 41 H GLY 5 H GLY 5 -7.612 -7.946 -6.860 42 HA2 GLY 5 HA2 GLY 5 -6.007 -9.389 -6.134 43 HA3 GLY 5 HA3 GLY 5 -5.095 -9.081 -7.613 44 H TRP 6 H TRP 6 -5.639 -6.149 -5.855 45 HA TRP 6 HA TRP 6 -2.829 -5.889 -5.320 46 HB2 TRP 6 HB2 TRP 6 -5.269 -4.179 -4.932 47 HB3 TRP 6 HB3 TRP 6 -3.757 -3.735 -4.199 48 HD1 TRP 6 HD1 TRP 6 -3.874 -5.301 -7.687 49 HE1 TRP 6 HE1 TRP 6 -3.031 -3.608 -9.425 50 HE3 TRP 6 HE3 TRP 6 -3.474 -1.175 -4.684 51 HZ2 TRP 6 HZ2 TRP 6 -2.287 -0.847 -9.512 52 HZ3 TRP 6 HZ3 TRP 6 -2.683 0.940 -5.611 53 HH2 TRP 6 HH2 TRP 6 -2.147 1.159 -8.038 54 H GLU 7 H GLU 7 -1.694 -6.475 -3.665 55 HA GLU 7 HA GLU 7 -2.962 -7.110 -1.056 56 HB2 GLU 7 HB2 GLU 7 -1.931 -8.810 -3.004 57 HB3 GLU 7 HB3 GLU 7 -0.559 -8.629 -1.929 58 HG2 GLU 7 HG2 GLU 7 -3.368 -9.360 -0.958 59 HG3 GLU 7 HG3 GLU 7 -2.217 -10.562 -1.540 60 H LYS 8 H LYS 8 -1.485 -7.156 0.788 61 HA LYS 8 HA LYS 8 -0.335 -4.535 1.147 62 HB2 LYS 8 HB2 LYS 8 -0.649 -7.022 2.884 63 HB3 LYS 8 HB3 LYS 8 0.012 -5.506 3.499 64 HG2 LYS 8 HG2 LYS 8 -1.926 -4.302 3.110 65 HG3 LYS 8 HG3 LYS 8 -2.702 -5.551 2.134 66 HD2 LYS 8 HD2 LYS 8 -2.005 -6.099 5.042 67 HD3 LYS 8 HD3 LYS 8 -3.442 -5.183 4.609 68 HE2 LYS 8 HE2 LYS 8 -4.121 -7.431 4.932 69 HE3 LYS 8 HE3 LYS 8 -4.280 -7.047 3.218 70 HZ1 LYS 8 HZ1 LYS 8 -3.287 -9.260 3.726 71 HZ2 LYS 8 HZ2 LYS 8 -2.384 -8.380 2.718 72 HZ3 LYS 8 HZ3 LYS 8 -1.943 -8.506 4.306 73 H ARG 9 H ARG 9 1.712 -3.943 0.718 74 HA ARG 9 HA ARG 9 3.919 -5.822 1.529 75 HB2 ARG 9 HB2 ARG 9 3.779 -4.371 -1.131 76 HB3 ARG 9 HB3 ARG 9 5.177 -5.282 -0.555 77 HG2 ARG 9 HG2 ARG 9 2.435 -6.437 -1.203 78 HG3 ARG 9 HG3 ARG 9 3.855 -6.486 -2.244 79 HD2 ARG 9 HD2 ARG 9 5.020 -7.978 -0.795 80 HD3 ARG 9 HD3 ARG 9 3.826 -7.806 0.487 81 HE ARG 9 HE ARG 9 3.439 -9.230 -2.113 82 HH11 ARG 9 HH11 ARG 9 1.988 -8.484 1.068 83 HH12 ARG 9 HH12 ARG 9 0.802 -9.767 0.809 84 HH21 ARG 9 HH21 ARG 9 1.681 -10.806 -2.195 85 HH22 ARG 9 HH22 ARG 9 0.611 -10.788 -0.773 86 H MET 10 H MET 10 5.979 -4.872 1.867 87 HA MET 10 HA MET 10 5.800 -2.088 2.897 88 HB2 MET 10 HB2 MET 10 7.509 -4.465 3.720 89 HB3 MET 10 HB3 MET 10 7.802 -2.809 4.254 90 HG2 MET 10 HG2 MET 10 6.588 -3.866 5.976 91 HG3 MET 10 HG3 MET 10 5.511 -2.706 5.208 92 HE1 MET 10 HE1 MET 10 3.110 -5.522 6.523 93 HE2 MET 10 HE2 MET 10 4.623 -4.983 7.285 94 HE3 MET 10 HE3 MET 10 3.515 -3.792 6.563 95 H PHE 11 H PHE 11 6.913 -0.539 1.931 96 HA PHE 11 HA PHE 11 8.897 -1.079 -0.153 97 HB2 PHE 11 HB2 PHE 11 7.107 0.713 -0.275 98 HB3 PHE 11 HB3 PHE 11 7.922 1.547 1.041 99 HD1 PHE 11 HD2 PHE 11 8.576 0.097 -2.380 100 HD2 PHE 11 HD1 PHE 11 9.527 3.202 0.461 101 HE1 PHE 11 HE2 PHE 11 10.060 1.181 -4.049 102 HE2 PHE 11 HE1 PHE 11 11.007 4.276 -1.209 103 HZ PHE 11 HZ PHE 11 11.280 3.266 -3.464 104 H ALA 12 H ALA 12 10.979 0.071 -0.106 105 HA ALA 12 HA ALA 12 12.586 -0.960 1.875 106 HB1 ALA 12 HB1 ALA 12 13.208 -0.512 -0.467 107 HB2 ALA 12 HB2 ALA 12 13.176 1.239 -0.149 108 HB3 ALA 12 HB3 ALA 12 14.379 0.206 0.653 109 H ASN 13 H ASN 13 10.837 1.918 2.410 110 HA ASN 13 HA ASN 13 12.800 2.823 4.466 111 HB2 ASN 13 HB2 ASN 13 11.921 5.003 4.266 112 HB3 ASN 13 HB3 ASN 13 12.211 4.460 2.614 113 HD21 ASN 13 HD22 ASN 13 10.387 6.615 3.424 114 HD22 ASN 13 HD21 ASN 13 8.775 6.064 3.021 115 H GLY 14 H GLY 14 10.136 0.845 4.303 116 HA2 GLY 14 HA2 GLY 14 8.934 0.042 6.146 117 HA3 GLY 14 HA3 GLY 14 9.316 1.489 7.081 118 H THR 15 H THR 15 8.024 1.923 3.809 119 HA THR 15 HA THR 15 5.465 2.961 4.924 120 HB THR 15 HB THR 15 6.582 3.080 2.083 121 HG1 THR 15 HG1 THR 15 7.902 4.241 3.245 122 HG21 THR 15 HG21 THR 15 4.184 3.419 2.048 123 HG22 THR 15 HG22 THR 15 4.284 4.574 3.406 124 HG23 THR 15 HG23 THR 15 4.985 4.977 1.822 125 H VAL 16 H VAL 16 3.494 1.964 4.302 126 HA VAL 16 HA VAL 16 3.792 -0.662 2.939 127 HB VAL 16 HB VAL 16 1.699 0.464 4.786 128 HG11 VAL 16 HG11 VAL 16 0.304 -0.428 2.962 129 HG12 VAL 16 HG12 VAL 16 1.258 -1.931 2.935 130 HG13 VAL 16 HG13 VAL 16 0.263 -1.517 4.348 131 HG21 VAL 16 HG21 VAL 16 2.112 -1.716 5.881 132 HG22 VAL 16 HG22 VAL 16 3.147 -2.207 4.516 133 HG23 VAL 16 HG23 VAL 16 3.653 -0.882 5.598 134 H TYR 17 H TYR 17 2.878 -1.201 1.119 135 HA TYR 17 HA TYR 17 1.216 0.727 -0.393 136 HB2 TYR 17 HB2 TYR 17 2.645 0.743 -2.264 137 HB3 TYR 17 HB3 TYR 17 3.700 0.989 -0.910 138 HD1 TYR 17 HD1 TYR 17 5.272 -0.714 -0.155 139 HD2 TYR 17 HD2 TYR 17 2.777 -1.360 -3.621 140 HE1 TYR 17 HE1 TYR 17 6.774 -2.592 -0.924 141 HE2 TYR 17 HE2 TYR 17 4.176 -3.282 -4.272 142 HH TYR 17 HH TYR 17 6.164 -4.372 -3.926 143 H TYR 18 H TYR 18 0.603 -0.471 -2.591 144 HA TYR 18 HA TYR 18 -0.232 -3.225 -1.876 145 HB2 TYR 18 HB2 TYR 18 -1.778 -0.917 -3.019 146 HB3 TYR 18 HB3 TYR 18 -2.272 -2.594 -3.257 147 HD1 TYR 18 HD1 TYR 18 -1.402 -0.125 -0.593 148 HD2 TYR 18 HD2 TYR 18 -3.412 -3.825 -1.538 149 HE1 TYR 18 HE1 TYR 18 -2.028 -0.370 1.762 150 HE2 TYR 18 HE2 TYR 18 -4.177 -4.012 0.792 151 HH TYR 18 HH TYR 18 -3.209 -1.632 3.303 152 H PHE 19 H PHE 19 0.052 -4.759 -3.161 153 HA PHE 19 HA PHE 19 1.401 -4.453 -5.798 154 HB2 PHE 19 HB2 PHE 19 2.832 -5.130 -4.003 155 HB3 PHE 19 HB3 PHE 19 1.622 -6.201 -3.339 156 HD1 PHE 19 HD2 PHE 19 1.243 -8.472 -4.152 157 HD2 PHE 19 HD1 PHE 19 4.337 -5.931 -5.780 158 HE1 PHE 19 HE2 PHE 19 2.357 -10.442 -5.100 159 HE2 PHE 19 HE1 PHE 19 5.456 -7.923 -6.722 160 HZ PHE 19 HZ PHE 19 4.415 -10.168 -6.497 161 H ASN 20 H ASN 20 0.198 -5.198 -7.511 162 HA ASN 20 HA ASN 20 -1.951 -7.127 -7.306 163 HB2 ASN 20 HB2 ASN 20 -1.805 -5.485 -9.193 164 HB3 ASN 20 HB3 ASN 20 -0.290 -6.199 -9.681 165 HD21 ASN 20 HD22 ASN 20 -3.943 -6.940 -9.529 166 HD22 ASN 20 HD21 ASN 20 -3.653 -8.229 -10.659 167 H HIS 21 H HIS 21 -1.455 -9.134 -6.538 168 HA HIS 21 HA HIS 21 1.129 -10.278 -6.879 169 HB2 HIS 21 HB2 HIS 21 0.245 -12.126 -5.621 170 HB3 HIS 21 HB3 HIS 21 -0.350 -10.629 -4.943 171 HD1 HIS 21 HD1 HIS 21 -3.066 -10.209 -5.189 172 HD2 HIS 21 HD2 HIS 21 -1.527 -13.586 -7.175 173 HE1 HIS 21 HE1 HIS 21 -5.064 -11.667 -5.816 174 H ILE 22 H ILE 22 -1.152 -10.155 -9.312 175 HA ILE 22 HA ILE 22 -0.345 -12.735 -10.519 176 HB ILE 22 HB ILE 22 -2.241 -10.619 -11.621 177 HG12 ILE 22 HG12 ILE 22 -3.945 -12.583 -10.894 178 HG13 ILE 22 HG13 ILE 22 -2.746 -12.846 -9.640 179 HG21 ILE 22 HG21 ILE 22 -1.417 -12.169 -13.331 180 HG22 ILE 22 HG22 ILE 22 -1.835 -13.559 -12.307 181 HG23 ILE 22 HG23 ILE 22 -3.102 -12.510 -12.982 182 HD11 ILE 22 HD11 ILE 22 -4.606 -11.367 -8.930 183 HD12 ILE 22 HD12 ILE 22 -3.083 -10.469 -8.884 184 HD13 ILE 22 HD13 ILE 22 -4.223 -10.231 -10.230 185 H THR 23 H THR 23 0.407 -9.320 -10.687 186 HA THR 23 HA THR 23 2.177 -9.759 -13.085 187 HB THR 23 HB THR 23 1.492 -7.551 -13.882 188 HG1 THR 23 HG1 THR 23 -0.350 -7.590 -11.728 189 HG21 THR 23 HG21 THR 23 -1.028 -9.150 -13.270 190 HG22 THR 23 HG22 THR 23 -0.791 -7.941 -14.547 191 HG23 THR 23 HG23 THR 23 0.093 -9.479 -14.608 192 H ASN 24 H ASN 24 2.224 -8.663 -9.832 193 HA ASN 24 HA ASN 24 3.558 -7.536 -8.592 194 HB2 ASN 24 HB2 ASN 24 5.733 -7.790 -8.889 195 HB3 ASN 24 HB3 ASN 24 5.371 -8.527 -10.432 196 HD21 ASN 24 HD22 ASN 24 5.052 -6.708 -12.258 197 HD22 ASN 24 HD21 ASN 24 6.376 -5.518 -12.232 198 H ALA 25 H ALA 25 1.789 -6.029 -10.999 199 HA ALA 25 HA ALA 25 2.862 -3.415 -11.052 200 HB1 ALA 25 HB1 ALA 25 0.570 -2.735 -11.663 201 HB2 ALA 25 HB2 ALA 25 1.040 -4.217 -12.519 202 HB3 ALA 25 HB3 ALA 25 -0.057 -4.306 -11.124 203 H SER 26 H SER 26 2.971 -1.755 -9.521 204 HA SER 26 HA SER 26 1.574 -2.199 -6.917 205 HB2 SER 26 HB2 SER 26 4.546 -1.830 -7.446 206 HB3 SER 26 HB3 SER 26 3.782 -1.770 -5.856 207 HG SER 26 HG SER 26 3.898 -4.020 -7.649 208 H GLN 27 H GLN 27 1.048 -0.412 -5.744 209 HA GLN 27 HA GLN 27 2.439 2.133 -6.165 210 HB2 GLN 27 HB2 GLN 27 -0.580 1.975 -6.535 211 HB3 GLN 27 HB3 GLN 27 0.362 3.453 -6.432 212 HG2 GLN 27 HG2 GLN 27 1.564 2.821 -8.525 213 HG3 GLN 27 HG3 GLN 27 0.465 1.444 -8.706 214 HE21 GLN 27 HE22 GLN 27 0.713 3.689 -10.630 215 HE22 GLN 27 HE21 GLN 27 -0.877 4.444 -10.562 216 H PHE 28 H PHE 28 1.743 3.788 -4.564 217 HA PHE 28 HA PHE 28 1.068 2.754 -1.926 218 HB2 PHE 28 HB2 PHE 28 1.526 5.574 -2.968 219 HB3 PHE 28 HB3 PHE 28 1.359 5.125 -1.274 220 HD1 PHE 28 HD1 PHE 28 2.975 3.267 -0.376 221 HD2 PHE 28 HD2 PHE 28 3.715 5.599 -3.922 222 HE1 PHE 28 HE1 PHE 28 5.391 2.748 -0.210 223 HE2 PHE 28 HE2 PHE 28 6.141 5.072 -3.759 224 HZ PHE 28 HZ PHE 28 6.985 3.650 -1.903 225 H GLU 29 H GLU 29 -0.912 3.187 -4.491 226 HA GLU 29 HA GLU 29 -3.144 4.540 -3.231 227 HB2 GLU 29 HB2 GLU 29 -2.714 3.061 -5.798 228 HB3 GLU 29 HB3 GLU 29 -4.363 3.189 -5.172 229 HG2 GLU 29 HG2 GLU 29 -2.464 5.501 -5.757 230 HG3 GLU 29 HG3 GLU 29 -3.863 5.021 -6.730 231 H ARG 30 H ARG 30 -4.051 3.847 -1.483 232 HA ARG 30 HA ARG 30 -3.941 0.994 -0.847 233 HB2 ARG 30 HB2 ARG 30 -3.975 1.608 1.439 234 HB3 ARG 30 HB3 ARG 30 -2.774 2.561 0.628 235 HG2 ARG 30 HG2 ARG 30 -5.550 3.672 1.273 236 HG3 ARG 30 HG3 ARG 30 -4.247 3.614 2.443 237 HD2 ARG 30 HD2 ARG 30 -3.756 5.664 1.741 238 HD3 ARG 30 HD3 ARG 30 -2.879 4.831 0.461 239 HE ARG 30 HE ARG 30 -5.755 5.717 0.164 240 HH11 ARG 30 HH11 ARG 30 -2.428 5.818 -1.289 241 HH12 ARG 30 HH12 ARG 30 -3.157 6.741 -2.626 242 HH21 ARG 30 HH21 ARG 30 -6.325 6.832 -1.687 243 HH22 ARG 30 HH22 ARG 30 -5.041 7.099 -2.903 244 HA PRO 31 HA PRO 31 -8.190 -0.012 -0.905 245 HB2 PRO 31 HB2 PRO 31 -8.074 -0.677 2.031 246 HB3 PRO 31 HB3 PRO 31 -8.704 -1.666 0.678 247 HG2 PRO 31 HG2 PRO 31 -6.266 -2.155 1.785 248 HG3 PRO 31 HG3 PRO 31 -6.506 -2.304 0.035 249 HD2 PRO 31 HD2 PRO 31 -5.246 -0.076 1.577 250 HD3 PRO 31 HD3 PRO 31 -4.805 -0.752 -0.028 251 H SER 32 H SER 32 -10.300 0.326 0.052 252 HA SER 32 HA SER 32 -12.004 1.755 0.398 253 HB2 SER 32 HB2 SER 32 -10.322 2.745 2.704 254 HB3 SER 32 HB3 SER 32 -12.013 3.198 2.399 255 HG SER 32 HG SER 32 -11.745 1.360 3.811 256 H GLY 33 H GLY 33 -9.281 3.963 1.030 257 HA2 GLY 33 HA2 GLY 33 -10.240 5.851 -1.081 258 HA3 GLY 33 HA3 GLY 33 -10.056 6.405 0.590 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -7.568 5.404 -6.420 2 H2 LYS 1 H2 LYS 1 -8.458 5.137 -7.813 3 H3 LYS 1 H3 LYS 1 -6.933 4.540 -7.671 4 HA LYS 1 HA LYS 1 -7.740 3.323 -5.644 5 HB2 LYS 1 HB2 LYS 1 -10.347 3.997 -7.052 6 HB3 LYS 1 HB3 LYS 1 -10.200 2.629 -5.948 7 HG2 LYS 1 HG2 LYS 1 -9.447 5.468 -5.133 8 HG3 LYS 1 HG3 LYS 1 -11.071 4.821 -4.944 9 HD2 LYS 1 HD2 LYS 1 -10.430 3.206 -3.364 10 HD3 LYS 1 HD3 LYS 1 -8.715 3.314 -3.754 11 HE2 LYS 1 HE2 LYS 1 -10.168 5.750 -2.696 12 HE3 LYS 1 HE3 LYS 1 -9.695 4.458 -1.579 13 HZ1 LYS 1 HZ1 LYS 1 -7.953 6.218 -1.844 14 HZ2 LYS 1 HZ2 LYS 1 -7.426 4.700 -2.220 15 HZ3 LYS 1 HZ3 LYS 1 -7.714 5.723 -3.413 16 H LEU 2 H LEU 2 -8.471 0.936 -6.028 17 HA LEU 2 HA LEU 2 -7.632 0.052 -8.689 18 HB2 LEU 2 HB2 LEU 2 -5.724 -1.116 -7.840 19 HB3 LEU 2 HB3 LEU 2 -5.604 0.572 -7.390 20 HG LEU 2 HG LEU 2 -6.223 -1.801 -5.579 21 HD11 LEU 2 HD11 LEU 2 -4.160 -1.174 -4.527 22 HD12 LEU 2 HD12 LEU 2 -3.855 -1.307 -6.267 23 HD13 LEU 2 HD13 LEU 2 -4.013 0.291 -5.506 24 HD21 LEU 2 HD21 LEU 2 -6.076 -0.209 -3.676 25 HD22 LEU 2 HD22 LEU 2 -6.243 1.147 -4.802 26 HD23 LEU 2 HD23 LEU 2 -7.566 -0.048 -4.587 27 HA PRO 3 HA PRO 3 -10.434 -3.175 -7.696 28 HB2 PRO 3 HB2 PRO 3 -9.998 -4.950 -9.718 29 HB3 PRO 3 HB3 PRO 3 -10.477 -3.257 -10.042 30 HG2 PRO 3 HG2 PRO 3 -7.671 -4.431 -10.022 31 HG3 PRO 3 HG3 PRO 3 -8.456 -3.477 -11.325 32 HD2 PRO 3 HD2 PRO 3 -6.844 -2.313 -9.448 33 HD3 PRO 3 HD3 PRO 3 -8.282 -1.483 -10.113 34 HA PRO 4 HA PRO 4 -9.047 -6.847 -5.457 35 HB2 PRO 4 HB2 PRO 4 -10.651 -8.425 -7.484 36 HB3 PRO 4 HB3 PRO 4 -10.593 -8.617 -5.702 37 HG2 PRO 4 HG2 PRO 4 -12.662 -7.306 -6.845 38 HG3 PRO 4 HG3 PRO 4 -11.885 -6.624 -5.378 39 HD2 PRO 4 HD2 PRO 4 -11.473 -5.838 -8.266 40 HD3 PRO 4 HD3 PRO 4 -11.667 -4.791 -6.826 41 H GLY 5 H GLY 5 -7.353 -8.292 -5.559 42 HA2 GLY 5 HA2 GLY 5 -5.797 -9.748 -6.760 43 HA3 GLY 5 HA3 GLY 5 -6.005 -8.739 -8.194 44 H TRP 6 H TRP 6 -5.974 -6.255 -6.367 45 HA TRP 6 HA TRP 6 -3.051 -5.969 -5.999 46 HB2 TRP 6 HB2 TRP 6 -5.396 -4.048 -5.853 47 HB3 TRP 6 HB3 TRP 6 -3.731 -3.625 -5.495 48 HD1 TRP 6 HD1 TRP 6 -5.885 -4.744 -8.483 49 HE1 TRP 6 HE1 TRP 6 -4.838 -3.810 -10.650 50 HE3 TRP 6 HE3 TRP 6 -1.551 -2.875 -6.537 51 HZ2 TRP 6 HZ2 TRP 6 -2.426 -2.420 -11.419 52 HZ3 TRP 6 HZ3 TRP 6 0.096 -1.774 -7.994 53 HH2 TRP 6 HH2 TRP 6 -0.310 -1.506 -10.410 54 H GLU 7 H GLU 7 -2.126 -6.278 -4.028 55 HA GLU 7 HA GLU 7 -3.851 -6.174 -1.592 56 HB2 GLU 7 HB2 GLU 7 -3.006 -8.495 -2.805 57 HB3 GLU 7 HB3 GLU 7 -1.649 -8.196 -1.729 58 HG2 GLU 7 HG2 GLU 7 -4.599 -8.436 -0.965 59 HG3 GLU 7 HG3 GLU 7 -3.353 -9.664 -0.718 60 H LYS 8 H LYS 8 -2.642 -5.725 0.443 61 HA LYS 8 HA LYS 8 -0.718 -3.650 -0.168 62 HB2 LYS 8 HB2 LYS 8 -1.080 -2.686 1.791 63 HB3 LYS 8 HB3 LYS 8 -2.588 -3.514 1.600 64 HG2 LYS 8 HG2 LYS 8 -0.327 -4.489 3.368 65 HG3 LYS 8 HG3 LYS 8 -1.645 -3.477 3.912 66 HD2 LYS 8 HD2 LYS 8 -2.118 -6.234 2.717 67 HD3 LYS 8 HD3 LYS 8 -1.810 -5.942 4.414 68 HE2 LYS 8 HE2 LYS 8 -4.118 -6.066 4.315 69 HE3 LYS 8 HE3 LYS 8 -3.779 -4.338 4.467 70 HZ1 LYS 8 HZ1 LYS 8 -5.499 -4.955 2.785 71 HZ2 LYS 8 HZ2 LYS 8 -4.286 -4.079 2.122 72 HZ3 LYS 8 HZ3 LYS 8 -4.340 -5.731 1.908 73 H ARG 9 H ARG 9 1.319 -3.473 0.358 74 HA ARG 9 HA ARG 9 2.821 -5.688 1.709 75 HB2 ARG 9 HB2 ARG 9 3.513 -4.467 -0.996 76 HB3 ARG 9 HB3 ARG 9 4.574 -5.549 -0.095 77 HG2 ARG 9 HG2 ARG 9 1.851 -6.257 -1.253 78 HG3 ARG 9 HG3 ARG 9 3.415 -6.664 -1.943 79 HD2 ARG 9 HD2 ARG 9 3.494 -8.553 -0.809 80 HD3 ARG 9 HD3 ARG 9 3.498 -7.674 0.713 81 HE ARG 9 HE ARG 9 0.980 -7.690 0.605 82 HH11 ARG 9 HH11 ARG 9 2.712 -10.292 -0.974 83 HH12 ARG 9 HH12 ARG 9 1.386 -11.416 -0.803 84 HH21 ARG 9 HH21 ARG 9 -0.766 -9.149 0.728 85 HH22 ARG 9 HH22 ARG 9 -0.498 -10.770 0.176 86 H MET 10 H MET 10 4.899 -5.085 2.512 87 HA MET 10 HA MET 10 5.028 -2.327 3.444 88 HB2 MET 10 HB2 MET 10 6.828 -3.133 4.862 89 HB3 MET 10 HB3 MET 10 5.374 -4.101 5.040 90 HG2 MET 10 HG2 MET 10 7.800 -4.918 3.385 91 HG3 MET 10 HG3 MET 10 7.524 -5.379 5.056 92 HE1 MET 10 HE1 MET 10 7.113 -8.735 3.075 93 HE2 MET 10 HE2 MET 10 8.188 -7.382 2.654 94 HE3 MET 10 HE3 MET 10 8.006 -7.880 4.354 95 H PHE 11 H PHE 11 6.522 -0.827 3.016 96 HA PHE 11 HA PHE 11 8.524 -1.327 0.868 97 HB2 PHE 11 HB2 PHE 11 6.733 0.313 0.334 98 HB3 PHE 11 HB3 PHE 11 7.166 1.246 1.755 99 HD1 PHE 11 HD2 PHE 11 8.876 -0.284 -1.255 100 HD2 PHE 11 HD1 PHE 11 8.464 3.165 1.313 101 HE1 PHE 11 HE2 PHE 11 10.501 0.960 -2.653 102 HE2 PHE 11 HE1 PHE 11 10.054 4.413 -0.127 103 HZ PHE 11 HZ PHE 11 11.088 3.310 -2.094 104 H ALA 12 H ALA 12 10.610 -1.234 1.453 105 HA ALA 12 HA ALA 12 11.391 -1.341 4.091 106 HB1 ALA 12 HB1 ALA 12 13.076 -0.762 1.619 107 HB2 ALA 12 HB2 ALA 12 13.671 -1.403 3.165 108 HB3 ALA 12 HB3 ALA 12 12.556 -2.370 2.183 109 H ASN 13 H ASN 13 11.012 1.654 2.302 110 HA ASN 13 HA ASN 13 12.745 3.212 4.047 111 HB2 ASN 13 HB2 ASN 13 11.866 3.651 1.583 112 HB3 ASN 13 HB3 ASN 13 10.493 4.387 2.422 113 HD21 ASN 13 HD22 ASN 13 11.671 5.784 4.520 114 HD22 ASN 13 HD21 ASN 13 12.792 6.961 3.806 115 H GLY 14 H GLY 14 9.800 1.653 4.688 116 HA2 GLY 14 HA2 GLY 14 8.715 1.737 6.782 117 HA3 GLY 14 HA3 GLY 14 9.246 3.407 7.027 118 H THR 15 H THR 15 7.269 1.500 4.647 119 HA THR 15 HA THR 15 4.924 3.168 5.095 120 HB THR 15 HB THR 15 6.480 3.349 2.483 121 HG1 THR 15 HG1 THR 15 6.538 4.799 4.583 122 HG21 THR 15 HG21 THR 15 4.664 4.930 1.730 123 HG22 THR 15 HG22 THR 15 4.208 3.230 1.697 124 HG23 THR 15 HG23 THR 15 3.634 4.290 3.021 125 H VAL 16 H VAL 16 3.086 2.309 3.575 126 HA VAL 16 HA VAL 16 3.573 -0.472 2.674 127 HB VAL 16 HB VAL 16 1.385 0.535 4.484 128 HG11 VAL 16 HG11 VAL 16 0.048 -0.317 2.599 129 HG12 VAL 16 HG12 VAL 16 1.025 -1.804 2.560 130 HG13 VAL 16 HG13 VAL 16 -0.010 -1.438 3.954 131 HG21 VAL 16 HG21 VAL 16 3.338 -0.813 5.308 132 HG22 VAL 16 HG22 VAL 16 1.795 -1.656 5.537 133 HG23 VAL 16 HG23 VAL 16 2.862 -2.114 4.189 134 H TYR 17 H TYR 17 2.688 -1.015 0.788 135 HA TYR 17 HA TYR 17 1.216 1.045 -0.812 136 HB2 TYR 17 HB2 TYR 17 2.725 0.857 -2.625 137 HB3 TYR 17 HB3 TYR 17 3.732 1.097 -1.222 138 HD1 TYR 17 HD1 TYR 17 4.964 -0.927 -0.219 139 HD2 TYR 17 HD2 TYR 17 2.845 -1.153 -3.965 140 HE1 TYR 17 HE1 TYR 17 6.267 -2.964 -0.851 141 HE2 TYR 17 HE2 TYR 17 4.092 -3.193 -4.559 142 HH TYR 17 HH TYR 17 5.822 -4.584 -3.980 143 H TYR 18 H TYR 18 0.503 -0.141 -3.041 144 HA TYR 18 HA TYR 18 -0.432 -2.874 -2.362 145 HB2 TYR 18 HB2 TYR 18 -1.694 -0.607 -3.868 146 HB3 TYR 18 HB3 TYR 18 -2.110 -2.275 -4.256 147 HD1 TYR 18 HD2 TYR 18 -1.698 -0.070 -1.245 148 HD2 TYR 18 HD1 TYR 18 -3.856 -3.336 -3.062 149 HE1 TYR 18 HE2 TYR 18 -2.812 -0.491 0.867 150 HE2 TYR 18 HE1 TYR 18 -5.105 -3.683 -0.976 151 HH TYR 18 HH TYR 18 -4.698 -1.515 1.882 152 H PHE 19 H PHE 19 -0.097 -4.517 -3.512 153 HA PHE 19 HA PHE 19 1.543 -4.435 -5.998 154 HB2 PHE 19 HB2 PHE 19 2.820 -5.089 -4.060 155 HB3 PHE 19 HB3 PHE 19 1.523 -6.100 -3.473 156 HD1 PHE 19 HD2 PHE 19 4.308 -5.879 -5.889 157 HD2 PHE 19 HD1 PHE 19 1.161 -8.376 -4.300 158 HE1 PHE 19 HE2 PHE 19 5.380 -7.888 -6.884 159 HE2 PHE 19 HE1 PHE 19 2.242 -10.364 -5.294 160 HZ PHE 19 HZ PHE 19 4.316 -10.112 -6.649 161 H ASN 20 H ASN 20 0.470 -5.234 -7.707 162 HA ASN 20 HA ASN 20 -1.922 -6.843 -7.548 163 HB2 ASN 20 HB2 ASN 20 -1.403 -5.210 -9.385 164 HB3 ASN 20 HB3 ASN 20 -0.078 -6.246 -9.882 165 HD21 ASN 20 HD22 ASN 20 -3.634 -5.988 -9.666 166 HD22 ASN 20 HD21 ASN 20 -3.910 -7.394 -10.690 167 H HIS 21 H HIS 21 -1.716 -8.874 -6.672 168 HA HIS 21 HA HIS 21 0.776 -10.327 -6.966 169 HB2 HIS 21 HB2 HIS 21 -0.248 -11.978 -5.511 170 HB3 HIS 21 HB3 HIS 21 -0.418 -10.355 -4.888 171 HD1 HIS 21 HD1 HIS 21 -2.785 -9.829 -4.017 172 HD2 HIS 21 HD2 HIS 21 -2.682 -12.812 -6.985 173 HE1 HIS 21 HE1 HIS 21 -5.171 -10.731 -4.235 174 H ILE 22 H ILE 22 -1.307 -9.910 -9.380 175 HA ILE 22 HA ILE 22 -0.970 -12.673 -10.442 176 HB ILE 22 HB ILE 22 -2.674 -10.391 -11.529 177 HG12 ILE 22 HG12 ILE 22 -4.530 -12.195 -10.827 178 HG13 ILE 22 HG13 ILE 22 -3.335 -12.656 -9.628 179 HG21 ILE 22 HG21 ILE 22 -3.710 -12.184 -12.912 180 HG22 ILE 22 HG22 ILE 22 -2.016 -11.945 -13.296 181 HG23 ILE 22 HG23 ILE 22 -2.500 -13.334 -12.298 182 HD11 ILE 22 HD11 ILE 22 -5.036 -11.048 -8.800 183 HD12 ILE 22 HD12 ILE 22 -3.425 -10.337 -8.694 184 HD13 ILE 22 HD13 ILE 22 -4.517 -9.859 -10.011 185 H THR 23 H THR 23 0.275 -9.412 -10.631 186 HA THR 23 HA THR 23 1.885 -10.134 -13.070 187 HB THR 23 HB THR 23 1.530 -7.845 -13.888 188 HG1 THR 23 HG1 THR 23 -0.408 -7.640 -11.831 189 HG21 THR 23 HG21 THR 23 -0.771 -7.984 -14.611 190 HG22 THR 23 HG22 THR 23 -0.056 -9.608 -14.650 191 HG23 THR 23 HG23 THR 23 -1.166 -9.158 -13.339 192 H ASN 24 H ASN 24 2.005 -8.676 -9.899 193 HA ASN 24 HA ASN 24 3.581 -7.781 -8.693 194 HB2 ASN 24 HB2 ASN 24 5.571 -7.719 -10.983 195 HB3 ASN 24 HB3 ASN 24 5.896 -7.551 -9.272 196 HD21 ASN 24 HD22 ASN 24 5.057 -9.813 -11.820 197 HD22 ASN 24 HD21 ASN 24 5.528 -11.256 -10.898 198 H ALA 25 H ALA 25 2.018 -6.277 -11.226 199 HA ALA 25 HA ALA 25 3.204 -3.725 -11.382 200 HB1 ALA 25 HB1 ALA 25 1.305 -4.515 -12.775 201 HB2 ALA 25 HB2 ALA 25 0.238 -4.437 -11.358 202 HB3 ALA 25 HB3 ALA 25 0.967 -2.955 -12.004 203 H SER 26 H SER 26 3.336 -1.973 -9.951 204 HA SER 26 HA SER 26 2.153 -2.388 -7.242 205 HB2 SER 26 HB2 SER 26 5.029 -1.802 -7.988 206 HB3 SER 26 HB3 SER 26 4.361 -1.704 -6.351 207 HG SER 26 HG SER 26 4.407 -4.062 -8.011 208 H GLN 27 H GLN 27 1.323 -0.634 -6.268 209 HA GLN 27 HA GLN 27 2.046 2.087 -7.193 210 HB2 GLN 27 HB2 GLN 27 -0.208 2.762 -7.563 211 HB3 GLN 27 HB3 GLN 27 0.070 1.313 -8.524 212 HG2 GLN 27 HG2 GLN 27 -1.094 -0.020 -6.681 213 HG3 GLN 27 HG3 GLN 27 -1.478 1.508 -5.901 214 HE21 GLN 27 HE22 GLN 27 -2.321 -0.633 -8.649 215 HE22 GLN 27 HE21 GLN 27 -3.665 0.402 -9.122 216 H PHE 28 H PHE 28 1.576 3.780 -5.665 217 HA PHE 28 HA PHE 28 1.434 2.817 -2.880 218 HB2 PHE 28 HB2 PHE 28 2.416 5.318 -4.210 219 HB3 PHE 28 HB3 PHE 28 1.948 5.362 -2.520 220 HD1 PHE 28 HD2 PHE 28 3.915 2.944 -4.716 221 HD2 PHE 28 HD1 PHE 28 3.692 5.130 -0.993 222 HE1 PHE 28 HE2 PHE 28 6.050 1.958 -4.008 223 HE2 PHE 28 HE1 PHE 28 5.866 4.153 -0.315 224 HZ PHE 28 HZ PHE 28 7.048 2.569 -1.821 225 H GLU 29 H GLU 29 -0.903 3.632 -5.058 226 HA GLU 29 HA GLU 29 -2.747 4.983 -3.201 227 HB2 GLU 29 HB2 GLU 29 -3.065 5.630 -5.424 228 HB3 GLU 29 HB3 GLU 29 -2.800 4.017 -6.043 229 HG2 GLU 29 HG2 GLU 29 -5.077 4.585 -6.391 230 HG3 GLU 29 HG3 GLU 29 -5.022 3.296 -5.208 231 H ARG 30 H ARG 30 -4.578 3.971 -2.392 232 HA ARG 30 HA ARG 30 -4.408 1.039 -1.926 233 HB2 ARG 30 HB2 ARG 30 -4.686 1.450 0.514 234 HB3 ARG 30 HB3 ARG 30 -3.175 2.025 -0.156 235 HG2 ARG 30 HG2 ARG 30 -4.569 4.364 -0.333 236 HG3 ARG 30 HG3 ARG 30 -5.534 3.595 0.909 237 HD2 ARG 30 HD2 ARG 30 -3.801 5.029 1.865 238 HD3 ARG 30 HD3 ARG 30 -3.500 3.363 2.320 239 HE ARG 30 HE ARG 30 -2.059 4.843 0.130 240 HH11 ARG 30 HH11 ARG 30 -1.855 2.085 2.455 241 HH12 ARG 30 HH12 ARG 30 -0.111 2.046 2.135 242 HH21 ARG 30 HH21 ARG 30 -0.047 4.207 -0.419 243 HH22 ARG 30 HH22 ARG 30 0.833 3.140 0.701 244 HA PRO 31 HA PRO 31 -8.840 1.216 -2.167 245 HB2 PRO 31 HB2 PRO 31 -9.136 -0.685 0.107 246 HB3 PRO 31 HB3 PRO 31 -9.664 -0.889 -1.588 247 HG2 PRO 31 HG2 PRO 31 -7.504 -2.240 -0.545 248 HG3 PRO 31 HG3 PRO 31 -7.524 -1.685 -2.246 249 HD2 PRO 31 HD2 PRO 31 -6.218 -0.373 0.138 250 HD3 PRO 31 HD3 PRO 31 -5.587 -0.627 -1.519 251 H SER 32 H SER 32 -7.405 1.470 0.730 252 HA SER 32 HA SER 32 -8.372 3.963 1.597 253 HB2 SER 32 HB2 SER 32 -9.766 1.693 3.064 254 HB3 SER 32 HB3 SER 32 -9.630 3.338 3.721 255 HG SER 32 HG SER 32 -10.614 2.886 1.100 256 H GLY 33 H GLY 33 -6.762 0.957 2.530 257 HA2 GLY 33 HA2 GLY 33 -4.771 2.507 4.082 258 HA3 GLY 33 HA3 GLY 33 -5.510 1.065 4.791 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -12.946 -2.136 1.388 2 H2 LYS 1 H2 LYS 1 -11.825 -2.843 2.276 3 H3 LYS 1 H3 LYS 1 -13.414 -3.271 2.480 4 HA LYS 1 HA LYS 1 -12.455 -5.036 1.318 5 HB2 LYS 1 HB2 LYS 1 -13.840 -5.270 -0.438 6 HB3 LYS 1 HB3 LYS 1 -14.667 -3.971 0.387 7 HG2 LYS 1 HG2 LYS 1 -12.869 -3.733 -2.076 8 HG3 LYS 1 HG3 LYS 1 -14.617 -3.701 -2.073 9 HD2 LYS 1 HD2 LYS 1 -12.928 -1.604 -0.658 10 HD3 LYS 1 HD3 LYS 1 -13.443 -1.467 -2.331 11 HE2 LYS 1 HE2 LYS 1 -15.728 -1.310 -1.812 12 HE3 LYS 1 HE3 LYS 1 -15.516 -1.965 -0.180 13 HZ1 LYS 1 HZ1 LYS 1 -15.791 0.517 -0.256 14 HZ2 LYS 1 HZ2 LYS 1 -14.411 -0.023 0.504 15 HZ3 LYS 1 HZ3 LYS 1 -14.272 0.598 -0.962 16 H LEU 2 H LEU 2 -11.324 -5.780 -0.834 17 HA LEU 2 HA LEU 2 -9.057 -3.960 -1.341 18 HB2 LEU 2 HB2 LEU 2 -8.695 -5.650 0.537 19 HB3 LEU 2 HB3 LEU 2 -8.867 -6.918 -0.674 20 HG LEU 2 HG LEU 2 -6.913 -5.919 -1.904 21 HD11 LEU 2 HD11 LEU 2 -6.633 -4.221 0.631 22 HD12 LEU 2 HD12 LEU 2 -5.441 -4.349 -0.685 23 HD13 LEU 2 HD13 LEU 2 -6.997 -3.606 -0.994 24 HD21 LEU 2 HD21 LEU 2 -6.580 -7.816 -0.385 25 HD22 LEU 2 HD22 LEU 2 -5.211 -6.701 -0.238 26 HD23 LEU 2 HD23 LEU 2 -6.470 -6.721 1.015 27 HA PRO 3 HA PRO 3 -10.554 -5.226 -5.325 28 HB2 PRO 3 HB2 PRO 3 -8.934 -3.743 -7.003 29 HB3 PRO 3 HB3 PRO 3 -10.268 -3.068 -6.024 30 HG2 PRO 3 HG2 PRO 3 -7.313 -3.095 -5.387 31 HG3 PRO 3 HG3 PRO 3 -8.475 -1.747 -5.227 32 HD2 PRO 3 HD2 PRO 3 -7.720 -3.348 -3.130 33 HD3 PRO 3 HD3 PRO 3 -9.357 -2.628 -3.240 34 HA PRO 4 HA PRO 4 -8.818 -8.785 -6.838 35 HB2 PRO 4 HB2 PRO 4 -8.552 -7.510 -9.575 36 HB3 PRO 4 HB3 PRO 4 -9.090 -9.171 -9.156 37 HG2 PRO 4 HG2 PRO 4 -10.924 -7.236 -9.572 38 HG3 PRO 4 HG3 PRO 4 -11.107 -8.336 -8.166 39 HD2 PRO 4 HD2 PRO 4 -10.100 -5.498 -8.222 40 HD3 PRO 4 HD3 PRO 4 -11.132 -6.322 -7.017 41 H GLY 5 H GLY 5 -6.963 -9.046 -5.720 42 HA2 GLY 5 HA2 GLY 5 -4.847 -9.961 -5.776 43 HA3 GLY 5 HA3 GLY 5 -4.539 -9.207 -7.342 44 H TRP 6 H TRP 6 -5.566 -6.606 -5.550 45 HA TRP 6 HA TRP 6 -2.840 -5.595 -5.283 46 HB2 TRP 6 HB2 TRP 6 -5.571 -4.455 -4.654 47 HB3 TRP 6 HB3 TRP 6 -4.067 -3.593 -4.366 48 HD1 TRP 6 HD1 TRP 6 -6.446 -4.486 -7.128 49 HE1 TRP 6 HE1 TRP 6 -5.714 -3.335 -9.316 50 HE3 TRP 6 HE3 TRP 6 -1.758 -2.975 -5.735 51 HZ2 TRP 6 HZ2 TRP 6 -3.360 -2.038 -10.355 52 HZ3 TRP 6 HZ3 TRP 6 -0.273 -1.863 -7.360 53 HH2 TRP 6 HH2 TRP 6 -1.058 -1.363 -9.661 54 H GLU 7 H GLU 7 -1.600 -6.451 -3.700 55 HA GLU 7 HA GLU 7 -2.804 -6.894 -1.021 56 HB2 GLU 7 HB2 GLU 7 -2.047 -8.764 -2.575 57 HB3 GLU 7 HB3 GLU 7 -0.406 -8.154 -2.380 58 HG2 GLU 7 HG2 GLU 7 -1.222 -8.432 0.248 59 HG3 GLU 7 HG3 GLU 7 -2.130 -9.727 -0.524 60 H LYS 8 H LYS 8 -1.893 -5.992 0.779 61 HA LYS 8 HA LYS 8 -0.131 -3.871 0.805 62 HB2 LYS 8 HB2 LYS 8 -0.278 -3.944 3.115 63 HB3 LYS 8 HB3 LYS 8 -1.798 -4.635 2.594 64 HG2 LYS 8 HG2 LYS 8 0.615 -6.159 3.688 65 HG3 LYS 8 HG3 LYS 8 -0.819 -5.747 4.579 66 HD2 LYS 8 HD2 LYS 8 -2.114 -7.392 3.679 67 HD3 LYS 8 HD3 LYS 8 -1.295 -7.413 2.134 68 HE2 LYS 8 HE2 LYS 8 0.017 -8.426 4.664 69 HE3 LYS 8 HE3 LYS 8 -0.976 -9.463 3.630 70 HZ1 LYS 8 HZ1 LYS 8 0.587 -9.254 1.844 71 HZ2 LYS 8 HZ2 LYS 8 1.277 -7.957 2.470 72 HZ3 LYS 8 HZ3 LYS 8 1.523 -9.445 3.175 73 H ARG 9 H ARG 9 2.001 -3.590 0.812 74 HA ARG 9 HA ARG 9 3.859 -5.774 1.684 75 HB2 ARG 9 HB2 ARG 9 4.037 -4.331 -0.997 76 HB3 ARG 9 HB3 ARG 9 5.312 -5.349 -0.331 77 HG2 ARG 9 HG2 ARG 9 2.537 -6.291 -1.147 78 HG3 ARG 9 HG3 ARG 9 4.013 -6.455 -2.077 79 HD2 ARG 9 HD2 ARG 9 4.980 -7.965 -0.412 80 HD3 ARG 9 HD3 ARG 9 3.610 -7.715 0.664 81 HE ARG 9 HE ARG 9 2.319 -9.202 -0.529 82 HH11 ARG 9 HH11 ARG 9 5.129 -8.483 -2.505 83 HH12 ARG 9 HH12 ARG 9 4.715 -9.666 -3.717 84 HH21 ARG 9 HH22 ARG 9 1.769 -10.628 -2.135 85 HH22 ARG 9 HH21 ARG 9 2.925 -10.997 -3.403 86 H MET 10 H MET 10 5.936 -5.004 2.393 87 HA MET 10 HA MET 10 5.798 -2.195 3.244 88 HB2 MET 10 HB2 MET 10 7.506 -2.805 4.851 89 HB3 MET 10 HB3 MET 10 6.133 -3.898 4.954 90 HG2 MET 10 HG2 MET 10 8.766 -4.544 3.560 91 HG3 MET 10 HG3 MET 10 8.364 -4.982 5.212 92 HE1 MET 10 HE1 MET 10 8.443 -8.415 3.333 93 HE2 MET 10 HE2 MET 10 9.439 -6.985 2.974 94 HE3 MET 10 HE3 MET 10 9.119 -7.448 4.664 95 H PHE 11 H PHE 11 7.300 -0.676 2.880 96 HA PHE 11 HA PHE 11 9.303 -1.044 0.735 97 HB2 PHE 11 HB2 PHE 11 7.420 0.607 0.420 98 HB3 PHE 11 HB3 PHE 11 7.957 1.453 1.853 99 HD1 PHE 11 HD2 PHE 11 9.647 0.075 -1.249 100 HD2 PHE 11 HD1 PHE 11 8.989 3.482 1.321 101 HE1 PHE 11 HE2 PHE 11 11.155 1.441 -2.663 102 HE2 PHE 11 HE1 PHE 11 10.472 4.848 -0.127 103 HZ PHE 11 HZ PHE 11 11.567 3.828 -2.105 104 H ALA 12 H ALA 12 11.431 -0.779 1.221 105 HA ALA 12 HA ALA 12 12.341 -1.028 3.820 106 HB1 ALA 12 HB1 ALA 12 13.506 -1.797 1.790 107 HB2 ALA 12 HB2 ALA 12 13.849 -0.110 1.334 108 HB3 ALA 12 HB3 ALA 12 14.572 -0.805 2.800 109 H ASN 13 H ASN 13 11.594 2.031 2.283 110 HA ASN 13 HA ASN 13 13.287 3.622 4.037 111 HB2 ASN 13 HB2 ASN 13 12.265 4.118 1.640 112 HB3 ASN 13 HB3 ASN 13 10.885 4.710 2.575 113 HD21 ASN 13 HD22 ASN 13 12.073 6.076 4.696 114 HD22 ASN 13 HD21 ASN 13 13.074 7.365 3.996 115 H GLY 14 H GLY 14 10.496 1.811 4.739 116 HA2 GLY 14 HA2 GLY 14 9.514 1.724 6.880 117 HA3 GLY 14 HA3 GLY 14 10.000 3.391 7.211 118 H THR 15 H THR 15 7.956 1.592 4.814 119 HA THR 15 HA THR 15 5.503 2.977 5.462 120 HB THR 15 HB THR 15 7.093 3.668 2.961 121 HG1 THR 15 HG1 THR 15 6.975 4.851 5.143 122 HG21 THR 15 HG21 THR 15 4.119 4.127 3.370 123 HG22 THR 15 HG22 THR 15 5.124 5.046 2.232 124 HG23 THR 15 HG23 THR 15 4.935 3.309 2.006 125 H VAL 16 H VAL 16 3.619 1.817 3.811 126 HA VAL 16 HA VAL 16 4.727 -0.494 2.548 127 HB VAL 16 HB VAL 16 2.573 -1.386 3.026 128 HG11 VAL 16 HG11 VAL 16 2.759 -1.917 5.468 129 HG12 VAL 16 HG12 VAL 16 4.259 -2.135 4.595 130 HG13 VAL 16 HG13 VAL 16 4.026 -0.679 5.589 131 HG21 VAL 16 HG21 VAL 16 1.217 0.472 3.246 132 HG22 VAL 16 HG22 VAL 16 1.029 -0.629 4.610 133 HG23 VAL 16 HG23 VAL 16 1.978 0.873 4.829 134 H TYR 17 H TYR 17 3.349 -1.166 0.835 135 HA TYR 17 HA TYR 17 1.830 0.862 -0.657 136 HB2 TYR 17 HB2 TYR 17 3.169 0.572 -2.644 137 HB3 TYR 17 HB3 TYR 17 4.238 0.996 -1.341 138 HD1 TYR 17 HD1 TYR 17 5.738 -0.743 -0.321 139 HD2 TYR 17 HD2 TYR 17 3.338 -1.530 -3.813 140 HE1 TYR 17 HE1 TYR 17 7.175 -2.704 -0.858 141 HE2 TYR 17 HE2 TYR 17 4.794 -3.486 -4.362 142 HH TYR 17 HH TYR 17 7.591 -4.385 -2.347 143 H TYR 18 H TYR 18 0.998 -0.445 -2.777 144 HA TYR 18 HA TYR 18 0.124 -3.146 -1.913 145 HB2 TYR 18 HB2 TYR 18 -1.434 -0.952 -3.294 146 HB3 TYR 18 HB3 TYR 18 -1.921 -2.649 -3.337 147 HD1 TYR 18 HD1 TYR 18 -1.148 0.172 -0.982 148 HD2 TYR 18 HD2 TYR 18 -3.044 -3.689 -1.480 149 HE1 TYR 18 HE1 TYR 18 -1.810 0.182 1.388 150 HE2 TYR 18 HE2 TYR 18 -3.770 -3.627 0.874 151 HH TYR 18 HH TYR 18 -3.723 -2.474 2.849 152 H PHE 19 H PHE 19 0.667 -4.755 -3.091 153 HA PHE 19 HA PHE 19 1.809 -4.404 -5.825 154 HB2 PHE 19 HB2 PHE 19 3.379 -5.256 -4.147 155 HB3 PHE 19 HB3 PHE 19 2.213 -6.465 -3.629 156 HD1 PHE 19 HD2 PHE 19 4.394 -5.439 -6.496 157 HD2 PHE 19 HD1 PHE 19 1.978 -8.561 -4.758 158 HE1 PHE 19 HE2 PHE 19 5.309 -7.058 -8.131 159 HE2 PHE 19 HE1 PHE 19 2.935 -10.193 -6.384 160 HZ PHE 19 HZ PHE 19 4.579 -9.439 -8.077 161 H ASN 20 H ASN 20 0.547 -5.166 -7.438 162 HA ASN 20 HA ASN 20 -1.829 -6.740 -6.851 163 HB2 ASN 20 HB2 ASN 20 -1.774 -4.888 -8.539 164 HB3 ASN 20 HB3 ASN 20 -0.709 -5.880 -9.523 165 HD21 ASN 20 HD22 ASN 20 -4.001 -5.466 -8.294 166 HD22 ASN 20 HD21 ASN 20 -4.704 -6.870 -9.036 167 H HIS 21 H HIS 21 -1.190 -8.797 -6.113 168 HA HIS 21 HA HIS 21 0.902 -10.256 -7.471 169 HB2 HIS 21 HB2 HIS 21 0.406 -12.077 -5.948 170 HB3 HIS 21 HB3 HIS 21 0.600 -10.543 -5.130 171 HD1 HIS 21 HD1 HIS 21 -0.804 -10.996 -2.975 172 HD2 HIS 21 HD2 HIS 21 -2.760 -11.971 -6.604 173 HE1 HIS 21 HE1 HIS 21 -3.226 -11.544 -2.407 174 H ILE 22 H ILE 22 -1.982 -9.600 -8.875 175 HA ILE 22 HA ILE 22 -2.169 -12.252 -10.225 176 HB ILE 22 HB ILE 22 -3.949 -9.786 -10.300 177 HG12 ILE 22 HG12 ILE 22 -4.420 -12.630 -9.285 178 HG13 ILE 22 HG13 ILE 22 -4.120 -11.223 -8.275 179 HG21 ILE 22 HG21 ILE 22 -4.248 -12.380 -11.876 180 HG22 ILE 22 HG22 ILE 22 -5.468 -11.089 -11.772 181 HG23 ILE 22 HG23 ILE 22 -3.941 -10.767 -12.555 182 HD11 ILE 22 HD11 ILE 22 -6.448 -11.576 -8.187 183 HD12 ILE 22 HD12 ILE 22 -6.221 -10.171 -9.248 184 HD13 ILE 22 HD13 ILE 22 -6.590 -11.770 -9.938 185 H THR 23 H THR 23 -0.800 -9.055 -10.571 186 HA THR 23 HA THR 23 -0.116 -9.615 -13.450 187 HB THR 23 HB THR 23 -0.353 -7.187 -13.835 188 HG1 THR 23 HG1 THR 23 -1.570 -7.134 -11.283 189 HG21 THR 23 HG21 THR 23 -2.312 -8.650 -14.282 190 HG22 THR 23 HG22 THR 23 -2.908 -8.349 -12.636 191 HG23 THR 23 HG23 THR 23 -2.773 -7.008 -13.792 192 H ASN 24 H ASN 24 1.134 -8.571 -10.369 193 HA ASN 24 HA ASN 24 3.121 -8.086 -9.613 194 HB2 ASN 24 HB2 ASN 24 4.364 -7.960 -12.375 195 HB3 ASN 24 HB3 ASN 24 5.180 -8.066 -10.829 196 HD21 ASN 24 HD22 ASN 24 3.346 -9.849 -13.223 197 HD22 ASN 24 HD21 ASN 24 3.812 -11.448 -12.606 198 H ALA 25 H ALA 25 1.051 -6.079 -11.140 199 HA ALA 25 HA ALA 25 2.648 -3.695 -11.388 200 HB1 ALA 25 HB1 ALA 25 -0.328 -3.993 -10.795 201 HB2 ALA 25 HB2 ALA 25 0.492 -2.547 -11.416 202 HB3 ALA 25 HB3 ALA 25 0.405 -4.010 -12.414 203 H SER 26 H SER 26 2.510 -1.751 -9.918 204 HA SER 26 HA SER 26 2.084 -2.370 -7.049 205 HB2 SER 26 HB2 SER 26 4.301 -1.552 -6.477 206 HB3 SER 26 HB3 SER 26 4.444 -2.956 -7.556 207 HG SER 26 HG SER 26 4.337 -0.340 -8.611 208 H GLN 27 H GLN 27 1.252 -0.648 -5.942 209 HA GLN 27 HA GLN 27 1.837 2.098 -6.851 210 HB2 GLN 27 HB2 GLN 27 -0.345 2.778 -7.092 211 HB3 GLN 27 HB3 GLN 27 -0.360 1.226 -7.893 212 HG2 GLN 27 HG2 GLN 27 -1.304 0.218 -5.744 213 HG3 GLN 27 HG3 GLN 27 -1.458 1.869 -5.121 214 HE21 GLN 27 HE22 GLN 27 -2.548 3.419 -7.181 215 HE22 GLN 27 HE21 GLN 27 -4.043 2.613 -7.668 216 H PHE 28 H PHE 28 1.328 3.715 -5.030 217 HA PHE 28 HA PHE 28 1.905 2.356 -2.412 218 HB2 PHE 28 HB2 PHE 28 2.577 5.052 -3.531 219 HB3 PHE 28 HB3 PHE 28 2.319 4.883 -1.803 220 HD1 PHE 28 HD1 PHE 28 4.142 2.977 -4.524 221 HD2 PHE 28 HD2 PHE 28 4.173 4.433 -0.462 222 HE1 PHE 28 HE1 PHE 28 6.419 2.065 -4.211 223 HE2 PHE 28 HE2 PHE 28 6.458 3.527 -0.163 224 HZ PHE 28 HZ PHE 28 7.591 2.352 -2.043 225 H GLU 29 H GLU 29 -0.432 4.216 -4.118 226 HA GLU 29 HA GLU 29 -2.053 5.201 -2.072 227 HB2 GLU 29 HB2 GLU 29 -3.180 4.138 -4.682 228 HB3 GLU 29 HB3 GLU 29 -3.748 5.463 -3.678 229 HG2 GLU 29 HG2 GLU 29 -2.773 6.593 -5.443 230 HG3 GLU 29 HG3 GLU 29 -1.450 6.600 -4.277 231 H ARG 30 H ARG 30 -2.787 4.050 -0.360 232 HA ARG 30 HA ARG 30 -3.604 1.340 -0.336 233 HB2 ARG 30 HB2 ARG 30 -3.072 2.760 1.626 234 HB3 ARG 30 HB3 ARG 30 -4.571 3.656 1.395 235 HG2 ARG 30 HG2 ARG 30 -4.306 0.709 2.146 236 HG3 ARG 30 HG3 ARG 30 -4.701 2.040 3.234 237 HD2 ARG 30 HD2 ARG 30 -6.769 2.453 1.786 238 HD3 ARG 30 HD3 ARG 30 -6.388 0.910 0.997 239 HE ARG 30 HE ARG 30 -6.622 0.742 3.905 240 HH11 ARG 30 HH11 ARG 30 -8.464 0.633 0.879 241 HH12 ARG 30 HH12 ARG 30 -9.736 -0.336 1.659 242 HH21 ARG 30 HH21 ARG 30 -8.565 -0.372 4.756 243 HH22 ARG 30 HH22 ARG 30 -9.827 -0.670 3.538 244 HA PRO 31 HA PRO 31 -6.996 1.962 -3.149 245 HB2 PRO 31 HB2 PRO 31 -8.281 -0.497 -2.932 246 HB3 PRO 31 HB3 PRO 31 -6.810 -0.162 -3.893 247 HG2 PRO 31 HG2 PRO 31 -7.001 -1.338 -1.117 248 HG3 PRO 31 HG3 PRO 31 -5.963 -1.863 -2.483 249 HD2 PRO 31 HD2 PRO 31 -5.033 -0.337 -0.447 250 HD3 PRO 31 HD3 PRO 31 -4.454 -0.093 -2.119 251 H SER 32 H SER 32 -9.474 1.811 -3.276 252 HA SER 32 HA SER 32 -10.429 3.552 -1.314 253 HB2 SER 32 HB2 SER 32 -12.470 3.547 -2.656 254 HB3 SER 32 HB3 SER 32 -11.024 3.615 -3.683 255 HG SER 32 HG SER 32 -12.396 1.255 -2.961 256 H GLY 33 H GLY 33 -10.289 2.440 0.691 257 HA2 GLY 33 HA2 GLY 33 -11.324 1.846 2.638 258 HA3 GLY 33 HA3 GLY 33 -12.856 2.006 1.796 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -8.218 4.613 -7.582 2 H2 LYS 1 H2 LYS 1 -7.391 5.154 -6.253 3 H3 LYS 1 H3 LYS 1 -9.018 5.444 -6.385 4 HA LYS 1 HA LYS 1 -7.819 3.417 -5.064 5 HB2 LYS 1 HB2 LYS 1 -10.624 4.067 -5.862 6 HB3 LYS 1 HB3 LYS 1 -10.324 2.376 -5.522 7 HG2 LYS 1 HG2 LYS 1 -10.982 3.170 -3.489 8 HG3 LYS 1 HG3 LYS 1 -9.246 3.066 -3.325 9 HD2 LYS 1 HD2 LYS 1 -10.768 5.644 -3.922 10 HD3 LYS 1 HD3 LYS 1 -10.445 5.077 -2.294 11 HE2 LYS 1 HE2 LYS 1 -8.265 5.760 -4.301 12 HE3 LYS 1 HE3 LYS 1 -8.890 6.875 -3.094 13 HZ1 LYS 1 HZ1 LYS 1 -7.708 4.257 -2.370 14 HZ2 LYS 1 HZ2 LYS 1 -6.792 5.551 -2.555 15 HZ3 LYS 1 HZ3 LYS 1 -7.985 5.541 -1.375 16 H LEU 2 H LEU 2 -8.310 0.907 -5.438 17 HA LEU 2 HA LEU 2 -7.670 0.221 -8.221 18 HB2 LEU 2 HB2 LEU 2 -5.669 -0.910 -7.610 19 HB3 LEU 2 HB3 LEU 2 -5.581 0.739 -7.033 20 HG LEU 2 HG LEU 2 -5.964 -1.793 -5.367 21 HD11 LEU 2 HD11 LEU 2 -3.822 0.379 -5.306 22 HD12 LEU 2 HD12 LEU 2 -3.857 -1.150 -4.414 23 HD13 LEU 2 HD13 LEU 2 -3.663 -1.157 -6.176 24 HD21 LEU 2 HD21 LEU 2 -6.038 1.090 -4.411 25 HD22 LEU 2 HD22 LEU 2 -7.292 -0.175 -4.180 26 HD23 LEU 2 HD23 LEU 2 -5.732 -0.327 -3.387 27 HA PRO 3 HA PRO 3 -10.392 -3.081 -7.394 28 HB2 PRO 3 HB2 PRO 3 -9.896 -4.792 -9.481 29 HB3 PRO 3 HB3 PRO 3 -10.484 -3.121 -9.727 30 HG2 PRO 3 HG2 PRO 3 -7.623 -4.136 -9.834 31 HG3 PRO 3 HG3 PRO 3 -8.494 -3.162 -11.064 32 HD2 PRO 3 HD2 PRO 3 -6.885 -1.997 -9.202 33 HD3 PRO 3 HD3 PRO 3 -8.404 -1.224 -9.741 34 HA PRO 4 HA PRO 4 -8.763 -6.743 -5.310 35 HB2 PRO 4 HB2 PRO 4 -10.230 -8.846 -6.389 36 HB3 PRO 4 HB3 PRO 4 -10.811 -7.733 -5.113 37 HG2 PRO 4 HG2 PRO 4 -11.293 -7.564 -8.100 38 HG3 PRO 4 HG3 PRO 4 -12.487 -7.390 -6.771 39 HD2 PRO 4 HD2 PRO 4 -11.448 -5.220 -7.958 40 HD3 PRO 4 HD3 PRO 4 -11.643 -5.242 -6.187 41 H GLY 5 H GLY 5 -7.111 -8.158 -5.618 42 HA2 GLY 5 HA2 GLY 5 -5.700 -9.581 -7.092 43 HA3 GLY 5 HA3 GLY 5 -5.975 -8.397 -8.380 44 H TRP 6 H TRP 6 -5.864 -6.143 -6.335 45 HA TRP 6 HA TRP 6 -2.937 -5.867 -6.009 46 HB2 TRP 6 HB2 TRP 6 -5.304 -4.003 -5.662 47 HB3 TRP 6 HB3 TRP 6 -3.646 -3.574 -5.290 48 HD1 TRP 6 HD1 TRP 6 -5.886 -4.352 -8.291 49 HE1 TRP 6 HE1 TRP 6 -4.853 -3.296 -10.409 50 HE3 TRP 6 HE3 TRP 6 -1.406 -2.868 -6.341 51 HZ2 TRP 6 HZ2 TRP 6 -2.387 -1.992 -11.146 52 HZ3 TRP 6 HZ3 TRP 6 0.240 -1.708 -7.752 53 HH2 TRP 6 HH2 TRP 6 -0.207 -1.260 -10.138 54 H GLU 7 H GLU 7 -1.943 -6.185 -4.066 55 HA GLU 7 HA GLU 7 -3.605 -6.459 -1.607 56 HB2 GLU 7 HB2 GLU 7 -3.354 -8.560 -2.773 57 HB3 GLU 7 HB3 GLU 7 -1.612 -8.417 -2.825 58 HG2 GLU 7 HG2 GLU 7 -3.096 -8.406 -0.169 59 HG3 GLU 7 HG3 GLU 7 -2.916 -9.918 -1.054 60 H LYS 8 H LYS 8 -2.694 -5.747 0.280 61 HA LYS 8 HA LYS 8 -0.819 -3.738 0.093 62 HB2 LYS 8 HB2 LYS 8 -1.317 -3.237 2.264 63 HB3 LYS 8 HB3 LYS 8 -2.765 -4.079 1.749 64 HG2 LYS 8 HG2 LYS 8 -0.536 -5.266 3.448 65 HG3 LYS 8 HG3 LYS 8 -2.034 -4.614 4.057 66 HD2 LYS 8 HD2 LYS 8 -3.326 -6.389 3.396 67 HD3 LYS 8 HD3 LYS 8 -2.294 -6.845 2.042 68 HE2 LYS 8 HE2 LYS 8 -1.330 -7.106 4.900 69 HE3 LYS 8 HE3 LYS 8 -2.290 -8.377 4.119 70 HZ1 LYS 8 HZ1 LYS 8 -0.670 -8.625 2.429 71 HZ2 LYS 8 HZ2 LYS 8 0.150 -7.323 2.825 72 HZ3 LYS 8 HZ3 LYS 8 0.184 -8.652 3.846 73 H ARG 9 H ARG 9 1.200 -3.379 0.687 74 HA ARG 9 HA ARG 9 2.948 -5.474 1.887 75 HB2 ARG 9 HB2 ARG 9 3.492 -3.983 -0.709 76 HB3 ARG 9 HB3 ARG 9 4.654 -5.039 0.103 77 HG2 ARG 9 HG2 ARG 9 2.038 -5.881 -1.196 78 HG3 ARG 9 HG3 ARG 9 3.653 -6.081 -1.863 79 HD2 ARG 9 HD2 ARG 9 4.266 -7.695 -0.175 80 HD3 ARG 9 HD3 ARG 9 2.799 -7.373 0.749 81 HE ARG 9 HE ARG 9 1.495 -8.636 -0.735 82 HH11 ARG 9 HH11 ARG 9 4.677 -8.385 -2.233 83 HH12 ARG 9 HH12 ARG 9 4.212 -9.500 -3.497 84 HH21 ARG 9 HH22 ARG 9 1.041 -9.933 -2.129 85 HH22 ARG 9 HH21 ARG 9 2.150 -10.517 -3.405 86 H MET 10 H MET 10 5.079 -4.577 2.532 87 HA MET 10 HA MET 10 4.849 -1.740 3.416 88 HB2 MET 10 HB2 MET 10 6.364 -4.098 4.587 89 HB3 MET 10 HB3 MET 10 6.555 -2.417 5.108 90 HG2 MET 10 HG2 MET 10 4.153 -2.294 5.671 91 HG3 MET 10 HG3 MET 10 3.937 -3.962 5.138 92 HE1 MET 10 HE1 MET 10 6.819 -2.277 7.409 93 HE2 MET 10 HE2 MET 10 5.263 -1.545 7.875 94 HE3 MET 10 HE3 MET 10 6.115 -2.624 9.001 95 H PHE 11 H PHE 11 6.136 -0.302 2.574 96 HA PHE 11 HA PHE 11 8.380 -0.980 0.794 97 HB2 PHE 11 HB2 PHE 11 6.668 0.816 0.290 98 HB3 PHE 11 HB3 PHE 11 7.252 1.702 1.683 99 HD1 PHE 11 HD1 PHE 11 8.466 0.092 -1.501 100 HD2 PHE 11 HD2 PHE 11 8.933 3.341 1.304 101 HE1 PHE 11 HE1 PHE 11 10.148 1.142 -2.990 102 HE2 PHE 11 HE2 PHE 11 10.595 4.395 -0.211 103 HZ PHE 11 HZ PHE 11 11.214 3.294 -2.344 104 H ALA 12 H ALA 12 10.283 -1.412 1.743 105 HA ALA 12 HA ALA 12 10.786 -1.482 4.404 106 HB1 ALA 12 HB1 ALA 12 12.814 -1.227 2.148 107 HB2 ALA 12 HB2 ALA 12 13.123 -1.905 3.760 108 HB3 ALA 12 HB3 ALA 12 11.996 -2.723 2.663 109 H ASN 13 H ASN 13 11.445 1.416 2.413 110 HA ASN 13 HA ASN 13 13.023 2.777 4.362 111 HB2 ASN 13 HB2 ASN 13 11.233 3.895 2.182 112 HB3 ASN 13 HB3 ASN 13 12.518 4.764 3.009 113 HD21 ASN 13 HD22 ASN 13 14.631 4.640 2.115 114 HD22 ASN 13 HD21 ASN 13 14.984 3.486 0.838 115 H GLY 14 H GLY 14 9.719 1.939 4.611 116 HA2 GLY 14 HA2 GLY 14 8.665 2.332 6.747 117 HA3 GLY 14 HA3 GLY 14 9.312 3.975 6.773 118 H THR 15 H THR 15 7.285 1.912 4.558 119 HA THR 15 HA THR 15 5.037 3.756 4.736 120 HB THR 15 HB THR 15 6.919 3.787 2.382 121 HG1 THR 15 HG1 THR 15 6.624 5.338 4.194 122 HG21 THR 15 HG21 THR 15 5.286 4.973 0.990 123 HG22 THR 15 HG22 THR 15 4.848 3.278 1.190 124 HG23 THR 15 HG23 THR 15 3.985 4.546 2.114 125 H VAL 16 H VAL 16 3.229 2.936 3.194 126 HA VAL 16 HA VAL 16 3.440 0.004 2.724 127 HB VAL 16 HB VAL 16 1.230 1.565 4.034 128 HG11 VAL 16 HG11 VAL 16 -0.385 -0.245 3.668 129 HG12 VAL 16 HG12 VAL 16 0.020 0.519 2.137 130 HG13 VAL 16 HG13 VAL 16 0.729 -1.056 2.551 131 HG21 VAL 16 HG21 VAL 16 1.216 -0.411 5.493 132 HG22 VAL 16 HG22 VAL 16 2.336 -1.253 4.401 133 HG23 VAL 16 HG23 VAL 16 2.882 0.172 5.321 134 H TYR 17 H TYR 17 2.499 -0.809 0.905 135 HA TYR 17 HA TYR 17 1.282 1.031 -1.046 136 HB2 TYR 17 HB2 TYR 17 2.873 0.591 -2.761 137 HB3 TYR 17 HB3 TYR 17 3.803 1.011 -1.364 138 HD1 TYR 17 HD2 TYR 17 5.028 -0.726 -0.043 139 HD2 TYR 17 HD1 TYR 17 3.116 -1.618 -3.802 140 HE1 TYR 17 HE2 TYR 17 6.506 -2.722 -0.332 141 HE2 TYR 17 HE1 TYR 17 4.560 -3.602 -4.070 142 HH TYR 17 HH TYR 17 6.396 -4.721 -3.268 143 H TYR 18 H TYR 18 0.565 -0.397 -3.035 144 HA TYR 18 HA TYR 18 -0.205 -3.140 -2.164 145 HB2 TYR 18 HB2 TYR 18 -1.592 -1.025 -3.812 146 HB3 TYR 18 HB3 TYR 18 -1.960 -2.737 -4.025 147 HD1 TYR 18 HD1 TYR 18 -1.649 -0.193 -1.253 148 HD2 TYR 18 HD2 TYR 18 -3.720 -3.658 -2.763 149 HE1 TYR 18 HE1 TYR 18 -2.792 -0.447 0.884 150 HE2 TYR 18 HE2 TYR 18 -5.042 -3.769 -0.704 151 HH TYR 18 HH TYR 18 -4.656 -1.342 1.963 152 H PHE 19 H PHE 19 0.289 -4.827 -3.334 153 HA PHE 19 HA PHE 19 1.831 -4.545 -5.868 154 HB2 PHE 19 HB2 PHE 19 3.120 -5.505 -4.092 155 HB3 PHE 19 HB3 PHE 19 1.800 -6.537 -3.587 156 HD1 PHE 19 HD2 PHE 19 1.176 -8.581 -4.932 157 HD2 PHE 19 HD1 PHE 19 4.667 -6.204 -5.835 158 HE1 PHE 19 HE2 PHE 19 2.186 -10.490 -6.160 159 HE2 PHE 19 HE1 PHE 19 5.600 -8.076 -7.147 160 HZ PHE 19 HZ PHE 19 4.355 -10.225 -7.319 161 H ASN 20 H ASN 20 0.922 -5.362 -7.686 162 HA ASN 20 HA ASN 20 -1.732 -6.617 -7.541 163 HB2 ASN 20 HB2 ASN 20 -1.178 -4.864 -9.245 164 HB3 ASN 20 HB3 ASN 20 -0.000 -5.968 -9.935 165 HD21 ASN 20 HD22 ASN 20 -3.525 -5.414 -9.449 166 HD22 ASN 20 HD21 ASN 20 -3.964 -6.701 -10.563 167 H HIS 21 H HIS 21 -1.671 -8.722 -6.845 168 HA HIS 21 HA HIS 21 0.582 -10.436 -7.551 169 HB2 HIS 21 HB2 HIS 21 -0.484 -12.078 -6.121 170 HB3 HIS 21 HB3 HIS 21 -0.363 -10.522 -5.331 171 HD1 HIS 21 HD1 HIS 21 -2.516 -9.789 -4.135 172 HD2 HIS 21 HD2 HIS 21 -3.151 -12.484 -7.309 173 HE1 HIS 21 HE1 HIS 21 -5.012 -10.358 -4.130 174 H ILE 22 H ILE 22 -1.772 -9.485 -9.574 175 HA ILE 22 HA ILE 22 -2.027 -12.135 -10.903 176 HB ILE 22 HB ILE 22 -3.329 -9.456 -11.538 177 HG12 ILE 22 HG12 ILE 22 -4.491 -11.948 -10.208 178 HG13 ILE 22 HG13 ILE 22 -4.123 -10.434 -9.386 179 HG21 ILE 22 HG21 ILE 22 -3.104 -10.833 -13.567 180 HG22 ILE 22 HG22 ILE 22 -3.827 -12.221 -12.725 181 HG23 ILE 22 HG23 ILE 22 -4.777 -10.760 -13.078 182 HD11 ILE 22 HD11 ILE 22 -5.792 -9.259 -10.841 183 HD12 ILE 22 HD12 ILE 22 -6.297 -10.857 -11.452 184 HD13 ILE 22 HD13 ILE 22 -6.463 -10.477 -9.737 185 H THR 23 H THR 23 -0.157 -9.195 -10.949 186 HA THR 23 HA THR 23 1.084 -9.949 -13.585 187 HB THR 23 HB THR 23 1.186 -7.543 -14.114 188 HG1 THR 23 HG1 THR 23 -0.554 -7.218 -11.903 189 HG21 THR 23 HG21 THR 23 -0.761 -8.839 -14.948 190 HG22 THR 23 HG22 THR 23 -1.684 -8.374 -13.504 191 HG23 THR 23 HG23 THR 23 -1.140 -7.132 -14.651 192 H ASN 24 H ASN 24 1.714 -8.839 -10.321 193 HA ASN 24 HA ASN 24 3.531 -8.468 -9.172 194 HB2 ASN 24 HB2 ASN 24 5.339 -8.590 -11.604 195 HB3 ASN 24 HB3 ASN 24 5.793 -8.670 -9.913 196 HD21 ASN 24 HD22 ASN 24 4.368 -10.442 -12.577 197 HD22 ASN 24 HD21 ASN 24 4.553 -12.035 -11.810 198 H ALA 25 H ALA 25 2.013 -6.390 -11.182 199 HA ALA 25 HA ALA 25 3.793 -4.132 -11.137 200 HB1 ALA 25 HB1 ALA 25 1.779 -4.326 -12.586 201 HB2 ALA 25 HB2 ALA 25 0.744 -4.193 -11.150 202 HB3 ALA 25 HB3 ALA 25 1.782 -2.838 -11.623 203 H SER 26 H SER 26 3.296 -2.061 -9.744 204 HA SER 26 HA SER 26 2.165 -2.585 -7.109 205 HB2 SER 26 HB2 SER 26 5.152 -2.232 -7.504 206 HB3 SER 26 HB3 SER 26 4.332 -1.902 -5.962 207 HG SER 26 HG SER 26 3.710 -4.298 -7.250 208 H GLN 27 H GLN 27 1.577 -0.737 -6.011 209 HA GLN 27 HA GLN 27 2.640 1.868 -6.797 210 HB2 GLN 27 HB2 GLN 27 0.867 1.373 -8.501 211 HB3 GLN 27 HB3 GLN 27 -0.312 1.176 -7.207 212 HG2 GLN 27 HG2 GLN 27 -0.438 3.376 -8.376 213 HG3 GLN 27 HG3 GLN 27 -0.172 3.537 -6.648 214 HE21 GLN 27 HE21 GLN 27 1.316 4.056 -9.870 215 HE22 GLN 27 HE22 GLN 27 2.683 4.916 -9.179 216 H PHE 28 H PHE 28 2.073 3.552 -5.309 217 HA PHE 28 HA PHE 28 1.793 2.604 -2.586 218 HB2 PHE 28 HB2 PHE 28 2.081 5.373 -3.796 219 HB3 PHE 28 HB3 PHE 28 2.131 5.026 -2.071 220 HD1 PHE 28 HD2 PHE 28 3.827 3.236 -1.257 221 HD2 PHE 28 HD1 PHE 28 4.135 5.265 -5.045 222 HE1 PHE 28 HE2 PHE 28 6.257 2.706 -1.344 223 HE2 PHE 28 HE1 PHE 28 6.556 4.725 -5.134 224 HZ PHE 28 HZ PHE 28 7.622 3.449 -3.281 225 H GLU 29 H GLU 29 -0.612 3.467 -4.816 226 HA GLU 29 HA GLU 29 -2.491 4.763 -3.042 227 HB2 GLU 29 HB2 GLU 29 -2.293 4.211 -5.821 228 HB3 GLU 29 HB3 GLU 29 -3.712 3.322 -5.295 229 HG2 GLU 29 HG2 GLU 29 -3.233 6.269 -4.649 230 HG3 GLU 29 HG3 GLU 29 -4.038 5.718 -6.114 231 H ARG 30 H ARG 30 -4.546 3.875 -2.380 232 HA ARG 30 HA ARG 30 -4.318 1.050 -1.427 233 HB2 ARG 30 HB2 ARG 30 -5.468 3.252 0.286 234 HB3 ARG 30 HB3 ARG 30 -4.811 1.688 0.751 235 HG2 ARG 30 HG2 ARG 30 -3.168 4.095 -0.149 236 HG3 ARG 30 HG3 ARG 30 -3.486 3.624 1.514 237 HD2 ARG 30 HD2 ARG 30 -2.299 1.496 1.185 238 HD3 ARG 30 HD3 ARG 30 -2.025 1.889 -0.511 239 HE ARG 30 HE ARG 30 -0.378 3.357 0.044 240 HH11 ARG 30 HH11 ARG 30 -2.057 2.532 3.097 241 HH12 ARG 30 HH12 ARG 30 -0.917 3.444 4.049 242 HH21 ARG 30 HH21 ARG 30 1.284 3.859 1.464 243 HH22 ARG 30 HH22 ARG 30 0.870 4.411 3.087 244 HA PRO 31 HA PRO 31 -8.790 0.887 -2.221 245 HB2 PRO 31 HB2 PRO 31 -9.142 -0.853 0.162 246 HB3 PRO 31 HB3 PRO 31 -9.520 -1.189 -1.547 247 HG2 PRO 31 HG2 PRO 31 -7.365 -2.347 -0.293 248 HG3 PRO 31 HG3 PRO 31 -7.309 -1.856 -2.011 249 HD2 PRO 31 HD2 PRO 31 -6.266 -0.341 0.397 250 HD3 PRO 31 HD3 PRO 31 -5.480 -0.666 -1.182 251 H SER 32 H SER 32 -8.176 0.691 1.004 252 HA SER 32 HA SER 32 -9.216 3.394 1.790 253 HB2 SER 32 HB2 SER 32 -10.410 2.433 3.729 254 HB3 SER 32 HB3 SER 32 -11.049 1.835 2.185 255 HG SER 32 HG SER 32 -10.678 0.176 3.792 256 H GLY 33 H GLY 33 -6.766 0.939 2.343 257 HA2 GLY 33 HA2 GLY 33 -5.262 2.704 4.095 258 HA3 GLY 33 HA3 GLY 33 -5.818 1.193 4.833 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -11.491 -1.077 0.627 2 H2 LYS 1 H2 LYS 1 -11.192 -1.249 -0.979 3 H3 LYS 1 H3 LYS 1 -9.977 -0.798 -0.008 4 HA LYS 1 HA LYS 1 -9.826 -2.912 1.034 5 HB2 LYS 1 HB2 LYS 1 -12.483 -3.341 -0.346 6 HB3 LYS 1 HB3 LYS 1 -11.496 -4.726 0.144 7 HG2 LYS 1 HG2 LYS 1 -11.639 -4.255 2.428 8 HG3 LYS 1 HG3 LYS 1 -11.984 -2.559 2.176 9 HD2 LYS 1 HD2 LYS 1 -14.259 -3.382 1.127 10 HD3 LYS 1 HD3 LYS 1 -13.862 -4.927 1.898 11 HE2 LYS 1 HE2 LYS 1 -15.238 -3.730 3.449 12 HE3 LYS 1 HE3 LYS 1 -13.585 -3.637 4.083 13 HZ1 LYS 1 HZ1 LYS 1 -14.998 -1.506 2.531 14 HZ2 LYS 1 HZ2 LYS 1 -14.578 -1.424 4.140 15 HZ3 LYS 1 HZ3 LYS 1 -13.490 -1.400 2.865 16 H LEU 2 H LEU 2 -8.758 -4.797 0.059 17 HA LEU 2 HA LEU 2 -7.249 -4.050 -2.223 18 HB2 LEU 2 HB2 LEU 2 -7.583 -6.753 -0.874 19 HB3 LEU 2 HB3 LEU 2 -6.295 -6.310 -1.984 20 HG LEU 2 HG LEU 2 -6.776 -5.047 0.756 21 HD11 LEU 2 HD11 LEU 2 -5.957 -7.357 0.931 22 HD12 LEU 2 HD12 LEU 2 -4.624 -6.971 -0.172 23 HD13 LEU 2 HD13 LEU 2 -4.704 -6.193 1.418 24 HD21 LEU 2 HD21 LEU 2 -4.533 -4.061 0.459 25 HD22 LEU 2 HD22 LEU 2 -4.485 -4.664 -1.218 26 HD23 LEU 2 HD23 LEU 2 -5.679 -3.441 -0.720 27 HA PRO 3 HA PRO 3 -10.178 -5.755 -5.289 28 HB2 PRO 3 HB2 PRO 3 -8.196 -4.797 -7.297 29 HB3 PRO 3 HB3 PRO 3 -9.927 -4.412 -7.146 30 HG2 PRO 3 HG2 PRO 3 -7.981 -2.592 -6.513 31 HG3 PRO 3 HG3 PRO 3 -9.531 -2.690 -5.614 32 HD2 PRO 3 HD2 PRO 3 -6.849 -3.844 -4.851 33 HD3 PRO 3 HD3 PRO 3 -8.022 -2.950 -3.858 34 HA PRO 4 HA PRO 4 -8.678 -9.681 -6.680 35 HB2 PRO 4 HB2 PRO 4 -8.556 -8.653 -9.527 36 HB3 PRO 4 HB3 PRO 4 -9.129 -10.244 -8.927 37 HG2 PRO 4 HG2 PRO 4 -10.924 -8.300 -9.443 38 HG3 PRO 4 HG3 PRO 4 -11.067 -9.241 -7.922 39 HD2 PRO 4 HD2 PRO 4 -9.913 -6.485 -8.336 40 HD3 PRO 4 HD3 PRO 4 -10.973 -7.077 -7.020 41 H GLY 5 H GLY 5 -6.750 -10.299 -5.994 42 HA2 GLY 5 HA2 GLY 5 -4.561 -10.927 -6.130 43 HA3 GLY 5 HA3 GLY 5 -4.385 -10.024 -7.636 44 H TRP 6 H TRP 6 -5.597 -7.802 -5.310 45 HA TRP 6 HA TRP 6 -2.900 -6.657 -5.058 46 HB2 TRP 6 HB2 TRP 6 -5.630 -5.671 -4.259 47 HB3 TRP 6 HB3 TRP 6 -4.143 -4.826 -3.867 48 HD1 TRP 6 HD1 TRP 6 -6.243 -5.804 -6.900 49 HE1 TRP 6 HE1 TRP 6 -5.682 -4.242 -8.871 50 HE3 TRP 6 HE3 TRP 6 -2.217 -3.394 -4.889 51 HZ2 TRP 6 HZ2 TRP 6 -3.699 -2.256 -9.507 52 HZ3 TRP 6 HZ3 TRP 6 -1.001 -1.682 -6.203 53 HH2 TRP 6 HH2 TRP 6 -1.714 -1.112 -8.509 54 H GLU 7 H GLU 7 -1.762 -6.278 -3.251 55 HA GLU 7 HA GLU 7 -2.542 -7.533 -0.672 56 HB2 GLU 7 HB2 GLU 7 -1.277 -8.996 -2.382 57 HB3 GLU 7 HB3 GLU 7 0.087 -7.899 -2.149 58 HG2 GLU 7 HG2 GLU 7 -0.140 -8.443 0.368 59 HG3 GLU 7 HG3 GLU 7 -1.244 -9.739 -0.119 60 H LYS 8 H LYS 8 -1.731 -6.376 1.129 61 HA LYS 8 HA LYS 8 -0.479 -3.792 0.745 62 HB2 LYS 8 HB2 LYS 8 -2.166 -4.332 2.510 63 HB3 LYS 8 HB3 LYS 8 -1.008 -5.435 3.270 64 HG2 LYS 8 HG2 LYS 8 0.523 -3.591 3.747 65 HG3 LYS 8 HG3 LYS 8 -0.461 -2.476 2.779 66 HD2 LYS 8 HD2 LYS 8 -2.355 -2.773 4.375 67 HD3 LYS 8 HD3 LYS 8 -1.377 -3.901 5.322 68 HE2 LYS 8 HE2 LYS 8 -1.399 -1.695 6.363 69 HE3 LYS 8 HE3 LYS 8 0.237 -2.129 5.847 70 HZ1 LYS 8 HZ1 LYS 8 0.001 -0.711 3.955 71 HZ2 LYS 8 HZ2 LYS 8 -1.581 -0.420 4.234 72 HZ3 LYS 8 HZ3 LYS 8 -0.438 0.176 5.271 73 H ARG 9 H ARG 9 1.611 -3.258 0.935 74 HA ARG 9 HA ARG 9 3.644 -5.226 1.874 75 HB2 ARG 9 HB2 ARG 9 3.606 -3.741 -0.790 76 HB3 ARG 9 HB3 ARG 9 5.018 -4.593 -0.160 77 HG2 ARG 9 HG2 ARG 9 2.387 -5.924 -0.900 78 HG3 ARG 9 HG3 ARG 9 3.843 -5.825 -1.893 79 HD2 ARG 9 HD2 ARG 9 5.129 -7.098 -0.204 80 HD3 ARG 9 HD3 ARG 9 3.677 -7.213 0.803 81 HE ARG 9 HE ARG 9 2.927 -8.957 -0.461 82 HH11 ARG 9 HH12 ARG 9 5.356 -7.413 -2.446 83 HH12 ARG 9 HH11 ARG 9 5.084 -8.497 -3.794 84 HH21 ARG 9 HH21 ARG 9 2.490 -10.201 -2.223 85 HH22 ARG 9 HH22 ARG 9 3.608 -10.179 -3.574 86 H MET 10 H MET 10 5.891 -4.107 1.881 87 HA MET 10 HA MET 10 5.849 -1.233 2.184 88 HB2 MET 10 HB2 MET 10 6.644 -1.166 4.488 89 HB3 MET 10 HB3 MET 10 5.034 -1.874 4.399 90 HG2 MET 10 HG2 MET 10 6.054 -4.151 4.577 91 HG3 MET 10 HG3 MET 10 7.643 -3.394 4.755 92 HE1 MET 10 HE1 MET 10 8.095 -4.721 6.962 93 HE2 MET 10 HE2 MET 10 6.971 -4.774 8.339 94 HE3 MET 10 HE3 MET 10 6.513 -5.521 6.791 95 H PHE 11 H PHE 11 7.752 -0.316 1.950 96 HA PHE 11 HA PHE 11 10.098 -1.816 1.038 97 HB2 PHE 11 HB2 PHE 11 9.508 1.152 1.473 98 HB3 PHE 11 HB3 PHE 11 10.975 0.519 0.759 99 HD1 PHE 11 HD1 PHE 11 10.769 -0.876 -1.427 100 HD2 PHE 11 HD2 PHE 11 7.572 1.566 0.134 101 HE1 PHE 11 HE1 PHE 11 9.646 -0.915 -3.644 102 HE2 PHE 11 HE2 PHE 11 6.467 1.527 -2.075 103 HZ PHE 11 HZ PHE 11 7.492 0.283 -3.968 104 H ALA 12 H ALA 12 11.673 -2.465 2.455 105 HA ALA 12 HA ALA 12 11.699 -1.979 5.227 106 HB1 ALA 12 HB1 ALA 12 13.965 -2.946 5.115 107 HB2 ALA 12 HB2 ALA 12 12.833 -3.861 4.104 108 HB3 ALA 12 HB3 ALA 12 13.985 -2.730 3.351 109 H ASN 13 H ASN 13 12.839 0.089 2.645 110 HA ASN 13 HA ASN 13 14.505 1.879 4.060 111 HB2 ASN 13 HB2 ASN 13 12.561 2.540 1.824 112 HB3 ASN 13 HB3 ASN 13 14.079 3.347 2.192 113 HD21 ASN 13 HD21 ASN 13 15.963 2.584 1.078 114 HD22 ASN 13 HD22 ASN 13 15.889 1.106 0.132 115 H GLY 14 H GLY 14 11.112 1.308 4.497 116 HA2 GLY 14 HA2 GLY 14 9.958 2.217 6.343 117 HA3 GLY 14 HA3 GLY 14 10.877 3.720 6.224 118 H THR 15 H THR 15 8.786 1.799 3.892 119 HA THR 15 HA THR 15 6.767 3.921 4.027 120 HB THR 15 HB THR 15 8.323 3.445 1.460 121 HG1 THR 15 HG1 THR 15 8.631 5.142 3.375 122 HG21 THR 15 HG21 THR 15 6.800 5.176 0.460 123 HG22 THR 15 HG22 THR 15 6.010 3.622 0.739 124 HG23 THR 15 HG23 THR 15 5.721 4.987 1.852 125 H VAL 16 H VAL 16 4.744 3.261 3.309 126 HA VAL 16 HA VAL 16 4.416 0.336 2.885 127 HB VAL 16 HB VAL 16 3.012 2.380 4.426 128 HG11 VAL 16 HG11 VAL 16 1.160 0.671 2.724 129 HG12 VAL 16 HG12 VAL 16 0.720 1.731 4.095 130 HG13 VAL 16 HG13 VAL 16 1.342 2.436 2.614 131 HG21 VAL 16 HG21 VAL 16 2.699 -0.643 4.271 132 HG22 VAL 16 HG22 VAL 16 3.895 0.233 5.256 133 HG23 VAL 16 HG23 VAL 16 2.173 0.421 5.605 134 H TYR 17 H TYR 17 3.183 -0.525 1.186 135 HA TYR 17 HA TYR 17 1.772 1.279 -0.603 136 HB2 TYR 17 HB2 TYR 17 2.927 0.789 -2.606 137 HB3 TYR 17 HB3 TYR 17 4.143 1.288 -1.469 138 HD1 TYR 17 HD1 TYR 17 5.439 -0.629 -0.214 139 HD2 TYR 17 HD2 TYR 17 3.143 -1.236 -3.823 140 HE1 TYR 17 HE1 TYR 17 6.795 -2.638 -0.742 141 HE2 TYR 17 HE2 TYR 17 4.529 -3.180 -4.385 142 HH TYR 17 HH TYR 17 6.448 -4.365 -3.830 143 H TYR 18 H TYR 18 1.000 -0.253 -2.600 144 HA TYR 18 HA TYR 18 0.125 -2.868 -1.526 145 HB2 TYR 18 HB2 TYR 18 -1.515 -0.879 -3.143 146 HB3 TYR 18 HB3 TYR 18 -2.031 -2.499 -2.664 147 HD1 TYR 18 HD1 TYR 18 -2.672 -3.007 -0.351 148 HD2 TYR 18 HD2 TYR 18 -1.249 0.918 -1.453 149 HE1 TYR 18 HE1 TYR 18 -3.133 -2.190 1.937 150 HE2 TYR 18 HE2 TYR 18 -1.695 1.738 0.815 151 HH TYR 18 HH TYR 18 -2.767 1.232 2.805 152 H PHE 19 H PHE 19 0.484 -4.543 -2.873 153 HA PHE 19 HA PHE 19 1.640 -4.085 -5.593 154 HB2 PHE 19 HB2 PHE 19 3.228 -4.933 -3.930 155 HB3 PHE 19 HB3 PHE 19 2.115 -6.211 -3.471 156 HD1 PHE 19 HD1 PHE 19 4.361 -4.998 -6.192 157 HD2 PHE 19 HD2 PHE 19 2.033 -8.307 -4.693 158 HE1 PHE 19 HE1 PHE 19 5.390 -6.479 -7.879 159 HE2 PHE 19 HE2 PHE 19 3.210 -9.816 -6.284 160 HZ PHE 19 HZ PHE 19 4.807 -8.899 -7.933 161 H ASN 20 H ASN 20 0.768 -5.294 -7.297 162 HA ASN 20 HA ASN 20 -1.568 -7.018 -6.631 163 HB2 ASN 20 HB2 ASN 20 -1.912 -5.146 -8.235 164 HB3 ASN 20 HB3 ASN 20 -0.729 -5.902 -9.302 165 HD21 ASN 20 HD22 ASN 20 -3.987 -6.175 -7.948 166 HD22 ASN 20 HD21 ASN 20 -4.497 -7.561 -8.858 167 H HIS 21 H HIS 21 -0.856 -9.046 -6.135 168 HA HIS 21 HA HIS 21 1.478 -10.174 -7.466 169 HB2 HIS 21 HB2 HIS 21 1.166 -12.058 -5.957 170 HB3 HIS 21 HB3 HIS 21 1.166 -10.534 -5.108 171 HD1 HIS 21 HD1 HIS 21 -0.255 -11.028 -3.051 172 HD2 HIS 21 HD2 HIS 21 -1.962 -12.369 -6.682 173 HE1 HIS 21 HE1 HIS 21 -2.645 -11.808 -2.527 174 H ILE 22 H ILE 22 -1.479 -9.804 -8.818 175 HA ILE 22 HA ILE 22 -1.154 -12.364 -10.298 176 HB ILE 22 HB ILE 22 -3.436 -11.468 -9.093 177 HG12 ILE 22 HG12 ILE 22 -4.620 -13.118 -10.627 178 HG13 ILE 22 HG13 ILE 22 -3.074 -13.330 -11.455 179 HG21 ILE 22 HG21 ILE 22 -3.782 -9.608 -10.688 180 HG22 ILE 22 HG22 ILE 22 -3.858 -10.783 -12.022 181 HG23 ILE 22 HG23 ILE 22 -5.068 -10.805 -10.730 182 HD11 ILE 22 HD11 ILE 22 -3.470 -15.061 -9.718 183 HD12 ILE 22 HD12 ILE 22 -2.057 -14.083 -9.285 184 HD13 ILE 22 HD13 ILE 22 -3.617 -13.800 -8.478 185 H THR 23 H THR 23 -0.375 -9.129 -10.517 186 HA THR 23 HA THR 23 0.164 -9.432 -13.457 187 HB THR 23 HB THR 23 -0.345 -7.025 -13.739 188 HG1 THR 23 HG1 THR 23 -1.467 -7.239 -11.143 189 HG21 THR 23 HG21 THR 23 -2.756 -7.105 -13.687 190 HG22 THR 23 HG22 THR 23 -2.140 -8.681 -14.223 191 HG23 THR 23 HG23 THR 23 -2.748 -8.481 -12.567 192 H ASN 24 H ASN 24 1.383 -8.329 -10.353 193 HA ASN 24 HA ASN 24 3.320 -7.643 -9.636 194 HB2 ASN 24 HB2 ASN 24 4.419 -7.230 -12.433 195 HB3 ASN 24 HB3 ASN 24 5.304 -7.268 -10.920 196 HD21 ASN 24 HD22 ASN 24 3.672 -9.213 -13.324 197 HD22 ASN 24 HD21 ASN 24 4.380 -10.750 -12.781 198 H ALA 25 H ALA 25 0.939 -5.869 -10.980 199 HA ALA 25 HA ALA 25 2.157 -3.287 -11.210 200 HB1 ALA 25 HB1 ALA 25 -0.714 -3.981 -10.467 201 HB2 ALA 25 HB2 ALA 25 -0.122 -2.447 -11.123 202 HB3 ALA 25 HB3 ALA 25 -0.074 -3.910 -12.122 203 H SER 26 H SER 26 1.489 -1.382 -9.653 204 HA SER 26 HA SER 26 1.308 -2.049 -6.829 205 HB2 SER 26 HB2 SER 26 3.906 -1.037 -8.015 206 HB3 SER 26 HB3 SER 26 3.474 -0.835 -6.300 207 HG SER 26 HG SER 26 3.121 -3.361 -7.441 208 H GLN 27 H GLN 27 0.843 -0.283 -5.522 209 HA GLN 27 HA GLN 27 0.894 2.453 -6.590 210 HB2 GLN 27 HB2 GLN 27 -1.291 1.677 -7.333 211 HB3 GLN 27 HB3 GLN 27 -1.653 1.004 -5.747 212 HG2 GLN 27 HG2 GLN 27 -2.865 3.113 -6.202 213 HG3 GLN 27 HG3 GLN 27 -1.853 3.196 -4.771 214 HE21 GLN 27 HE22 GLN 27 -2.010 4.272 -8.242 215 HE22 GLN 27 HE21 GLN 27 -0.925 5.615 -7.918 216 H PHE 28 H PHE 28 1.022 3.992 -4.879 217 HA PHE 28 HA PHE 28 1.965 2.889 -2.296 218 HB2 PHE 28 HB2 PHE 28 2.090 5.573 -3.674 219 HB3 PHE 28 HB3 PHE 28 2.317 5.434 -1.939 220 HD1 PHE 28 HD2 PHE 28 3.573 3.029 -4.610 221 HD2 PHE 28 HD1 PHE 28 4.564 5.975 -1.603 222 HE1 PHE 28 HE2 PHE 28 5.933 2.493 -4.867 223 HE2 PHE 28 HE1 PHE 28 6.963 5.449 -1.910 224 HZ PHE 28 HZ PHE 28 7.665 3.710 -3.542 225 H GLU 29 H GLU 29 -0.606 5.024 -3.619 226 HA GLU 29 HA GLU 29 -1.883 5.594 -1.106 227 HB2 GLU 29 HB2 GLU 29 -2.112 6.401 -3.800 228 HB3 GLU 29 HB3 GLU 29 -3.633 5.580 -3.491 229 HG2 GLU 29 HG2 GLU 29 -2.470 7.791 -1.728 230 HG3 GLU 29 HG3 GLU 29 -3.587 8.074 -3.062 231 H ARG 30 H ARG 30 -3.954 4.755 -0.317 232 HA ARG 30 HA ARG 30 -3.920 1.827 -0.635 233 HB2 ARG 30 HB2 ARG 30 -4.901 1.538 1.332 234 HB3 ARG 30 HB3 ARG 30 -4.046 3.027 1.641 235 HG2 ARG 30 HG2 ARG 30 -7.041 2.832 1.033 236 HG3 ARG 30 HG3 ARG 30 -6.334 2.735 2.626 237 HD2 ARG 30 HD2 ARG 30 -7.009 4.924 2.597 238 HD3 ARG 30 HD3 ARG 30 -5.295 5.048 2.212 239 HE ARG 30 HE ARG 30 -5.825 5.967 0.182 240 HH11 ARG 30 HH11 ARG 30 -8.757 4.264 1.202 241 HH12 ARG 30 HH12 ARG 30 -9.612 4.809 -0.257 242 HH21 ARG 30 HH22 ARG 30 -7.051 6.663 -1.481 243 HH22 ARG 30 HH21 ARG 30 -8.718 6.076 -1.688 244 HA PRO 31 HA PRO 31 -7.458 1.703 -3.290 245 HB2 PRO 31 HB2 PRO 31 -8.251 -0.888 -3.070 246 HB3 PRO 31 HB3 PRO 31 -6.785 -0.373 -3.954 247 HG2 PRO 31 HG2 PRO 31 -6.962 -1.475 -1.146 248 HG3 PRO 31 HG3 PRO 31 -5.793 -1.894 -2.443 249 HD2 PRO 31 HD2 PRO 31 -5.258 -0.131 -0.395 250 HD3 PRO 31 HD3 PRO 31 -4.528 0.032 -2.018 251 H SER 32 H SER 32 -9.179 2.775 -2.724 252 HA SER 32 HA SER 32 -10.637 2.764 -0.289 253 HB2 SER 32 HB2 SER 32 -11.421 3.602 -3.110 254 HB3 SER 32 HB3 SER 32 -12.402 3.930 -1.675 255 HG SER 32 HG SER 32 -11.099 5.672 -2.185 256 H GLY 33 H GLY 33 -13.061 2.343 -0.154 257 HA2 GLY 33 HA2 GLY 33 -14.963 1.009 -0.776 258 HA3 GLY 33 HA3 GLY 33 -13.894 -0.224 -1.433
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