NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23568 | 2jwt | 15536 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET -1 HA MET -1 5.134 -12.934 6.386 2 H1 MET -1 HT1 MET -1 4.902 -10.505 4.773 3 H2 MET -1 HT2 MET -1 3.667 -11.697 4.787 4 H3 MET -1 HT3 MET -1 5.255 -12.110 4.284 5 HB2 MET -1 HB2 MET -1 6.349 -10.174 6.347 6 HB3 MET -1 HB1 MET -1 6.522 -11.252 7.726 7 HG2 MET -1 HG2 MET -1 8.091 -12.469 6.723 8 HG3 MET -1 HG1 MET -1 7.205 -12.523 5.201 9 HE1 MET -1 HE1 MET -1 10.417 -11.181 3.677 10 HE2 MET -1 HE2 MET -1 8.897 -11.983 3.284 11 HE3 MET -1 HE3 MET -1 9.923 -12.620 4.569 12 H ASP 0 HN ASP 0 2.587 -12.507 6.346 13 HA ASP 0 HA ASP 0 1.889 -10.623 8.485 14 HB2 ASP 0 HB2 ASP 0 0.671 -10.742 6.189 15 HB3 ASP 0 HB1 ASP 0 -0.114 -12.167 6.863 16 H GLU 1 HN GLU 1 3.245 -13.156 8.987 17 HA GLU 1 HA GLU 1 1.152 -14.562 10.510 18 HB2 GLU 1 HB2 GLU 1 3.021 -15.571 8.678 19 HB3 GLU 1 HB1 GLU 1 3.611 -16.061 10.260 20 HG2 GLU 1 HG2 GLU 1 2.112 -17.678 10.359 21 HG3 GLU 1 HG1 GLU 1 0.801 -16.519 10.141 22 H LYS 2 HN LYS 2 4.112 -12.806 10.705 23 HA LYS 2 HA LYS 2 4.438 -13.581 13.522 24 HB2 LYS 2 HB2 LYS 2 6.362 -12.357 11.548 25 HB3 LYS 2 HB1 LYS 2 6.702 -12.471 13.270 26 HG2 LYS 2 HG2 LYS 2 7.744 -14.351 12.499 27 HG3 LYS 2 HG1 LYS 2 6.156 -15.003 12.905 28 HD2 LYS 2 HD2 LYS 2 6.073 -15.783 10.816 29 HD3 LYS 2 HD1 LYS 2 5.865 -14.109 10.298 30 HE2 LYS 2 HE2 LYS 2 8.630 -14.517 10.735 31 HE3 LYS 2 HE1 LYS 2 8.041 -15.891 9.800 32 HZ1 LYS 2 HZ1 LYS 2 8.219 -14.570 8.041 33 HZ2 LYS 2 HZ2 LYS 2 8.441 -13.184 8.985 34 HZ3 LYS 2 HZ3 LYS 2 6.877 -13.718 8.622 35 H ARG 3 HN ARG 3 4.696 -10.691 11.443 36 HA ARG 3 HA ARG 3 4.057 -9.035 13.778 37 HE ARG 3 HE ARG 3 8.032 -8.138 11.655 38 HB2 ARG 3 HB2 ARG 3 5.765 -8.708 11.466 39 HB3 ARG 3 HB1 ARG 3 4.645 -7.361 11.609 40 HG2 ARG 3 HG2 ARG 3 6.382 -6.593 12.870 41 HG3 ARG 3 HG1 ARG 3 5.421 -7.393 14.115 42 HD2 ARG 3 HD2 ARG 3 7.558 -8.175 14.539 43 HD3 ARG 3 HD1 ARG 3 6.862 -9.466 13.562 44 HH11 ARG 3 HH11 ARG 3 9.271 -8.694 14.877 45 HH12 ARG 3 HH12 ARG 3 10.928 -8.616 14.383 46 HH21 ARG 3 HH21 ARG 3 10.211 -8.041 11.013 47 HH22 ARG 3 HH22 ARG 3 11.462 -8.246 12.194 48 HA PRO 4 HA PRO 4 -0.014 -8.963 11.700 49 HB2 PRO 4 HB2 PRO 4 -1.419 -8.310 13.924 50 HB3 PRO 4 HB1 PRO 4 -0.928 -9.968 13.558 51 HG2 PRO 4 HG2 PRO 4 0.338 -7.983 15.407 52 HG3 PRO 4 HG1 PRO 4 0.033 -9.712 15.660 53 HD2 PRO 4 HD2 PRO 4 2.465 -8.743 14.958 54 HD3 PRO 4 HD1 PRO 4 1.890 -10.344 14.452 55 H ARG 5 HN ARG 5 -0.546 -7.217 10.569 56 HA ARG 5 HA ARG 5 -1.239 -4.744 11.708 57 HE ARG 5 HE ARG 5 3.354 -4.158 12.107 58 HB2 ARG 5 HB2 ARG 5 0.594 -3.352 10.733 59 HB3 ARG 5 HB1 ARG 5 1.101 -4.371 12.073 60 HG2 ARG 5 HG2 ARG 5 2.218 -5.873 10.638 61 HG3 ARG 5 HG1 ARG 5 1.463 -5.177 9.202 62 HD2 ARG 5 HD2 ARG 5 3.808 -4.477 9.460 63 HD3 ARG 5 HD1 ARG 5 2.690 -3.114 9.515 64 HH11 ARG 5 HH11 ARG 5 4.345 -1.971 9.573 65 HH12 ARG 5 HH12 ARG 5 5.268 -0.962 10.635 66 HH21 ARG 5 HH21 ARG 5 4.568 -2.830 13.504 67 HH22 ARG 5 HH22 ARG 5 5.396 -1.449 12.865 68 H THR 6 HN THR 6 -0.148 -6.506 8.867 69 HA THR 6 HA THR 6 -1.512 -4.704 7.055 70 HB THR 6 HB THR 6 -0.828 -6.905 5.557 71 HG1 THR 6 HG1 THR 6 0.190 -7.889 7.326 72 HG21 THR 6 HG21 THR 6 1.342 -5.657 5.109 73 HG22 THR 6 HG22 THR 6 0.736 -4.447 6.240 74 HG23 THR 6 HG23 THR 6 -0.170 -4.814 4.772 75 H ALA 7 HN ALA 7 -3.384 -5.527 8.762 76 HA ALA 7 HA ALA 7 -4.736 -7.892 7.797 77 HB1 ALA 7 HB1 ALA 7 -4.744 -7.212 10.196 78 HB2 ALA 7 HB2 ALA 7 -6.350 -7.476 9.517 79 HB3 ALA 7 HB3 ALA 7 -5.752 -5.834 9.752 80 H PHE 8 HN PHE 8 -5.229 -7.432 5.652 81 HA PHE 8 HA PHE 8 -7.269 -5.340 5.260 82 HD1 PHE 8 HD2 PHE 8 -3.313 -5.611 4.671 83 HD2 PHE 8 HD1 PHE 8 -6.453 -2.931 3.638 84 HE1 PHE 8 HE2 PHE 8 -1.910 -3.709 5.356 85 HE2 PHE 8 HE1 PHE 8 -5.056 -1.024 4.320 86 HZ PHE 8 HZ PHE 8 -2.781 -1.412 5.180 87 HB2 PHE 8 HB2 PHE 8 -5.179 -6.333 3.312 88 HB3 PHE 8 HB1 PHE 8 -6.483 -5.227 2.896 89 H SER 9 HN SER 9 -8.553 -5.837 3.149 90 HA SER 9 HA SER 9 -9.441 -8.636 3.336 91 HG SER 9 HG SER 9 -10.559 -5.441 1.988 92 HB2 SER 9 HB2 SER 9 -11.621 -7.939 2.815 93 HB3 SER 9 HB1 SER 9 -11.027 -6.653 3.865 94 H SER 10 HN SER 10 -10.206 -9.653 1.348 95 HA SER 10 HA SER 10 -8.346 -9.619 -0.702 96 HG SER 10 HG SER 10 -9.849 -11.522 0.759 97 HB2 SER 10 HB2 SER 10 -11.242 -10.491 -0.840 98 HB3 SER 10 HB1 SER 10 -9.992 -10.919 -2.008 99 H GLU 11 HN GLU 11 -11.435 -7.910 -0.467 100 HA GLU 11 HA GLU 11 -11.387 -6.830 -3.084 101 HB2 GLU 11 HB2 GLU 11 -13.386 -7.012 -1.516 102 HB3 GLU 11 HB1 GLU 11 -12.757 -5.584 -0.705 103 HG2 GLU 11 HG2 GLU 11 -14.273 -4.668 -2.160 104 HG3 GLU 11 HG1 GLU 11 -12.776 -4.546 -3.084 105 H GLN 12 HN GLN 12 -10.259 -5.621 0.046 106 HA GLN 12 HA GLN 12 -9.550 -3.037 -0.869 107 HB2 GLN 12 HB2 GLN 12 -8.749 -4.682 1.518 108 HB3 GLN 12 HB1 GLN 12 -8.013 -3.116 1.207 109 HG2 GLN 12 HG2 GLN 12 -10.070 -1.990 1.453 110 HG3 GLN 12 HG1 GLN 12 -10.984 -3.497 1.399 111 HE21 GLN 12 HE21 GLN 12 -11.178 -1.536 3.422 112 HE22 GLN 12 HE22 GLN 12 -10.651 -2.248 4.905 113 H LEU 13 HN LEU 13 -7.663 -6.017 -0.426 114 HA LEU 13 HA LEU 13 -5.200 -4.928 -1.270 115 HG LEU 13 HG LEU 13 -5.310 -7.208 1.042 116 HB2 LEU 13 HB2 LEU 13 -6.300 -7.686 -0.970 117 HB3 LEU 13 HB1 LEU 13 -4.817 -7.479 -1.876 118 HD11 LEU 13 HD11 LEU 13 -3.346 -8.462 1.222 119 HD12 LEU 13 HD12 LEU 13 -2.812 -8.024 -0.402 120 HD13 LEU 13 HD13 LEU 13 -4.170 -9.130 -0.188 121 HD21 LEU 13 HD21 LEU 13 -3.173 -5.901 1.248 122 HD22 LEU 13 HD22 LEU 13 -4.555 -4.986 0.645 123 HD23 LEU 13 HD23 LEU 13 -3.309 -5.541 -0.473 124 H ALA 14 HN ALA 14 -7.876 -6.422 -2.983 125 HA ALA 14 HA ALA 14 -6.636 -6.750 -5.481 126 HB1 ALA 14 HB1 ALA 14 -9.483 -6.460 -4.603 127 HB2 ALA 14 HB2 ALA 14 -8.659 -7.866 -5.278 128 HB3 ALA 14 HB3 ALA 14 -9.078 -6.505 -6.319 129 H ARG 15 HN ARG 15 -8.533 -4.061 -4.150 130 HA ARG 15 HA ARG 15 -8.360 -2.407 -6.436 131 HE ARG 15 HE ARG 15 -10.876 1.681 -5.708 132 HB2 ARG 15 HB2 ARG 15 -9.989 -2.129 -4.548 133 HB3 ARG 15 HB1 ARG 15 -8.665 -1.525 -3.560 134 HG2 ARG 15 HG2 ARG 15 -9.724 0.396 -4.326 135 HG3 ARG 15 HG1 ARG 15 -8.336 0.221 -5.401 136 HD2 ARG 15 HD2 ARG 15 -9.622 -0.281 -7.205 137 HD3 ARG 15 HD1 ARG 15 -10.852 -1.092 -6.238 138 HH11 ARG 15 HH11 ARG 15 -11.756 -0.625 -8.175 139 HH12 ARG 15 HH12 ARG 15 -13.020 0.363 -8.825 140 HH21 ARG 15 HH21 ARG 15 -12.539 2.983 -6.561 141 HH22 ARG 15 HH22 ARG 15 -13.465 2.412 -7.909 142 H LEU 16 HN LEU 16 -6.471 -2.505 -3.428 143 HA LEU 16 HA LEU 16 -4.721 -0.404 -4.030 144 HG LEU 16 HG LEU 16 -6.025 -0.899 -1.735 145 HB2 LEU 16 HB2 LEU 16 -4.304 -2.867 -2.336 146 HB3 LEU 16 HB1 LEU 16 -3.195 -1.511 -2.383 147 HD11 LEU 16 HD11 LEU 16 -6.175 -2.311 -0.031 148 HD12 LEU 16 HD12 LEU 16 -4.824 -1.467 0.726 149 HD13 LEU 16 HD13 LEU 16 -4.526 -2.880 -0.287 150 HD21 LEU 16 HD21 LEU 16 -3.740 0.081 -0.144 151 HD22 LEU 16 HD22 LEU 16 -5.144 0.944 -0.771 152 HD23 LEU 16 HD23 LEU 16 -3.786 0.577 -1.835 153 H LYS 17 HN LYS 17 -4.547 -3.860 -4.755 154 HA LYS 17 HA LYS 17 -1.947 -3.870 -5.837 155 HB2 LYS 17 HB2 LYS 17 -4.239 -5.693 -5.761 156 HB3 LYS 17 HB1 LYS 17 -3.279 -5.845 -7.226 157 HG2 LYS 17 HG2 LYS 17 -1.490 -5.712 -5.032 158 HG3 LYS 17 HG1 LYS 17 -2.752 -6.882 -4.639 159 HD2 LYS 17 HD2 LYS 17 -2.198 -7.526 -7.227 160 HD3 LYS 17 HD1 LYS 17 -0.614 -7.009 -6.647 161 HE2 LYS 17 HE2 LYS 17 -0.386 -8.797 -5.302 162 HE3 LYS 17 HE1 LYS 17 -2.078 -8.766 -4.809 163 HZ1 LYS 17 HZ1 LYS 17 -2.213 -10.606 -6.052 164 HZ2 LYS 17 HZ2 LYS 17 -0.799 -10.271 -6.917 165 HZ3 LYS 17 HZ3 LYS 17 -2.259 -9.547 -7.371 166 H ARG 18 HN ARG 18 -5.117 -3.249 -7.238 167 HA ARG 18 HA ARG 18 -4.359 -3.164 -9.939 168 HE ARG 18 HE ARG 18 -9.785 -2.279 -10.470 169 HB2 ARG 18 HB2 ARG 18 -6.630 -2.074 -8.341 170 HB3 ARG 18 HB1 ARG 18 -6.391 -1.450 -9.968 171 HG2 ARG 18 HG2 ARG 18 -6.862 -3.476 -10.960 172 HG3 ARG 18 HG1 ARG 18 -6.458 -4.398 -9.511 173 HD2 ARG 18 HD2 ARG 18 -8.668 -4.519 -9.186 174 HD3 ARG 18 HD1 ARG 18 -8.543 -2.843 -8.654 175 HH11 ARG 18 HH11 ARG 18 -8.103 -5.248 -11.206 176 HH12 ARG 18 HH12 ARG 18 -8.811 -5.405 -12.778 177 HH21 ARG 18 HH21 ARG 18 -10.718 -2.486 -12.537 178 HH22 ARG 18 HH22 ARG 18 -10.295 -3.838 -13.534 179 H GLU 19 HN GLU 19 -4.530 -0.621 -7.473 180 HA GLU 19 HA GLU 19 -3.723 1.499 -9.161 181 HB2 GLU 19 HB2 GLU 19 -3.460 1.197 -6.163 182 HB3 GLU 19 HB1 GLU 19 -3.223 2.698 -7.047 183 HG2 GLU 19 HG2 GLU 19 -5.789 1.129 -6.951 184 HG3 GLU 19 HG1 GLU 19 -5.428 2.557 -5.983 185 H PHE 20 HN PHE 20 -1.954 -0.765 -7.120 186 HA PHE 20 HA PHE 20 0.584 0.443 -7.364 187 HD1 PHE 20 HD2 PHE 20 2.278 -0.387 -5.039 188 HD2 PHE 20 HD1 PHE 20 1.778 -3.431 -7.971 189 HE1 PHE 20 HE2 PHE 20 4.677 -0.916 -4.894 190 HE2 PHE 20 HE1 PHE 20 4.176 -3.966 -7.830 191 HZ PHE 20 HZ PHE 20 5.629 -2.707 -6.291 192 HB2 PHE 20 HB2 PHE 20 0.079 -1.214 -5.628 193 HB3 PHE 20 HB1 PHE 20 -0.125 -2.456 -6.859 194 H ASN 21 HN ASN 21 -1.162 -1.873 -9.346 195 HA ASN 21 HA ASN 21 0.971 -2.685 -10.988 196 HB2 ASN 21 HB2 ASN 21 -1.992 -2.755 -11.150 197 HB3 ASN 21 HB1 ASN 21 -1.118 -2.917 -12.670 198 HD21 ASN 21 HD21 ASN 21 -2.086 -5.050 -12.694 199 HD22 ASN 21 HD22 ASN 21 -1.316 -6.336 -11.835 200 H GLU 22 HN GLU 22 -1.068 0.147 -11.008 201 HA GLU 22 HA GLU 22 -0.170 1.023 -13.614 202 HB2 GLU 22 HB2 GLU 22 -1.768 2.478 -11.497 203 HB3 GLU 22 HB1 GLU 22 -1.499 3.042 -13.140 204 HG2 GLU 22 HG2 GLU 22 -2.569 0.733 -13.769 205 HG3 GLU 22 HG1 GLU 22 -3.247 0.853 -12.146 206 H ASN 23 HN ASN 23 0.549 1.648 -10.244 207 HA ASN 23 HA ASN 23 3.077 2.819 -10.930 208 HB2 ASN 23 HB2 ASN 23 1.244 4.684 -11.029 209 HB3 ASN 23 HB1 ASN 23 1.322 4.599 -9.272 210 HD21 ASN 23 HD21 ASN 23 1.975 6.895 -9.747 211 HD22 ASN 23 HD22 ASN 23 3.665 7.199 -9.935 212 H ARG 24 HN ARG 24 4.506 2.215 -9.440 213 HA ARG 24 HA ARG 24 3.669 0.802 -7.107 214 HE ARG 24 HE ARG 24 6.682 -0.994 -10.980 215 HB2 ARG 24 HB2 ARG 24 6.455 1.739 -7.790 216 HB3 ARG 24 HB1 ARG 24 6.013 0.438 -6.694 217 HG2 ARG 24 HG2 ARG 24 5.249 -0.922 -8.495 218 HG3 ARG 24 HG1 ARG 24 5.407 0.412 -9.640 219 HD2 ARG 24 HD2 ARG 24 7.912 0.356 -8.754 220 HD3 ARG 24 HD1 ARG 24 7.491 -1.326 -8.435 221 HH11 ARG 24 HH11 ARG 24 9.687 -0.270 -9.358 222 HH12 ARG 24 HH12 ARG 24 10.654 -0.507 -10.775 223 HH21 ARG 24 HH21 ARG 24 7.953 -1.308 -12.844 224 HH22 ARG 24 HH22 ARG 24 9.670 -1.096 -12.754 225 H TYR 25 HN TYR 25 3.764 4.055 -7.628 226 HA TYR 25 HA TYR 25 4.591 4.666 -4.877 227 HD1 TYR 25 HD1 TYR 25 6.775 4.464 -5.680 228 HD2 TYR 25 HD2 TYR 25 5.579 7.103 -8.796 229 HE1 TYR 25 HE1 TYR 25 8.786 3.856 -6.959 230 HE2 TYR 25 HE2 TYR 25 7.586 6.502 -10.083 231 HH TYR 25 HH TYR 25 9.748 5.571 -9.801 232 HB2 TYR 25 HB2 TYR 25 4.129 6.724 -7.023 233 HB3 TYR 25 HB1 TYR 25 5.099 6.860 -5.561 234 H LEU 26 HN LEU 26 3.339 6.920 -4.278 235 HA LEU 26 HA LEU 26 0.507 6.694 -4.889 236 HG LEU 26 HG LEU 26 0.345 4.195 -3.277 237 HB2 LEU 26 HB2 LEU 26 1.719 5.854 -2.352 238 HB3 LEU 26 HB1 LEU 26 0.393 6.980 -2.162 239 HD11 LEU 26 HD11 LEU 26 -0.014 4.603 -0.864 240 HD12 LEU 26 HD12 LEU 26 -1.430 3.915 -1.662 241 HD13 LEU 26 HD13 LEU 26 -1.386 5.636 -1.272 242 HD21 LEU 26 HD21 LEU 26 -0.864 5.409 -4.941 243 HD22 LEU 26 HD22 LEU 26 -1.708 6.358 -3.715 244 HD23 LEU 26 HD23 LEU 26 -2.041 4.633 -3.882 245 H THR 27 HN THR 27 -0.494 8.616 -4.883 246 HA THR 27 HA THR 27 1.083 10.958 -4.133 247 HB THR 27 HB THR 27 -0.329 12.229 -5.519 248 HG1 THR 27 HG1 THR 27 -2.370 11.858 -5.243 249 HG21 THR 27 HG21 THR 27 0.590 9.738 -6.593 250 HG22 THR 27 HG22 THR 27 0.487 11.323 -7.358 251 HG23 THR 27 HG23 THR 27 -0.902 10.238 -7.388 252 H GLU 28 HN GLU 28 -0.042 12.753 -2.995 253 HA GLU 28 HA GLU 28 -1.060 11.964 -0.534 254 HB2 GLU 28 HB2 GLU 28 -0.235 14.324 -1.563 255 HB3 GLU 28 HB1 GLU 28 -1.972 14.593 -1.556 256 HG2 GLU 28 HG2 GLU 28 -0.807 13.495 0.921 257 HG3 GLU 28 HG1 GLU 28 -0.377 15.155 0.514 258 H ARG 29 HN ARG 29 -2.801 13.177 -3.376 259 HA ARG 29 HA ARG 29 -5.385 13.025 -2.334 260 HE ARG 29 HE ARG 29 -9.352 13.963 -4.175 261 HB2 ARG 29 HB2 ARG 29 -4.232 13.757 -4.751 262 HB3 ARG 29 HB1 ARG 29 -5.263 12.397 -5.173 263 HG2 ARG 29 HG2 ARG 29 -6.531 14.356 -3.409 264 HG3 ARG 29 HG1 ARG 29 -6.073 14.988 -4.991 265 HD2 ARG 29 HD2 ARG 29 -7.336 13.275 -6.103 266 HD3 ARG 29 HD1 ARG 29 -7.666 12.463 -4.573 267 HH11 ARG 29 HH11 ARG 29 -7.364 15.155 -6.785 268 HH12 ARG 29 HH12 ARG 29 -8.442 16.451 -7.180 269 HH21 ARG 29 HH21 ARG 29 -10.770 15.667 -4.693 270 HH22 ARG 29 HH22 ARG 29 -10.376 16.743 -5.993 271 H ARG 30 HN ARG 30 -3.436 10.571 -4.004 272 HA ARG 30 HA ARG 30 -5.508 8.660 -4.232 273 HE ARG 30 HE ARG 30 -4.813 7.576 -8.254 274 HB2 ARG 30 HB2 ARG 30 -2.505 8.442 -4.295 275 HB3 ARG 30 HB1 ARG 30 -3.550 7.041 -4.489 276 HG2 ARG 30 HG2 ARG 30 -4.649 8.651 -6.319 277 HG3 ARG 30 HG1 ARG 30 -2.996 9.267 -6.344 278 HD2 ARG 30 HD2 ARG 30 -2.132 7.315 -7.154 279 HD3 ARG 30 HD1 ARG 30 -3.393 6.323 -6.422 280 HH11 ARG 30 HH11 ARG 30 -1.629 6.165 -8.549 281 HH12 ARG 30 HH12 ARG 30 -1.805 5.824 -10.236 282 HH21 ARG 30 HH21 ARG 30 -5.040 7.122 -10.470 283 HH22 ARG 30 HH22 ARG 30 -3.738 6.366 -11.326 284 H ARG 31 HN ARG 31 -2.997 9.192 -1.793 285 HA ARG 31 HA ARG 31 -3.467 6.905 -0.257 286 HE ARG 31 HE ARG 31 -0.741 7.651 4.141 287 HB2 ARG 31 HB2 ARG 31 -1.644 8.832 -0.117 288 HB3 ARG 31 HB1 ARG 31 -2.744 9.461 1.103 289 HG2 ARG 31 HG2 ARG 31 -2.488 7.547 2.460 290 HG3 ARG 31 HG1 ARG 31 -1.689 6.649 1.168 291 HD2 ARG 31 HD2 ARG 31 0.279 7.366 1.899 292 HD3 ARG 31 HD1 ARG 31 -0.216 9.027 1.586 293 HH11 ARG 31 HH11 ARG 31 0.270 10.483 2.349 294 HH12 ARG 31 HH12 ARG 31 0.488 11.447 3.768 295 HH21 ARG 31 HH21 ARG 31 -0.450 8.928 5.996 296 HH22 ARG 31 HH22 ARG 31 0.082 10.568 5.833 297 H GLN 32 HN GLN 32 -4.763 10.199 0.133 298 HA GLN 32 HA GLN 32 -6.476 9.554 2.291 299 HB2 GLN 32 HB2 GLN 32 -5.675 11.849 1.723 300 HB3 GLN 32 HB1 GLN 32 -6.753 11.838 0.335 301 HG2 GLN 32 HG2 GLN 32 -8.310 11.138 2.572 302 HG3 GLN 32 HG1 GLN 32 -7.310 12.508 3.052 303 HE21 GLN 32 HE21 GLN 32 -9.996 11.455 1.240 304 HE22 GLN 32 HE22 GLN 32 -10.439 12.984 0.568 305 H GLN 33 HN GLN 33 -6.935 9.588 -1.207 306 HA GLN 33 HA GLN 33 -9.752 9.305 -1.161 307 HB2 GLN 33 HB2 GLN 33 -7.618 9.125 -3.177 308 HB3 GLN 33 HB1 GLN 33 -9.014 8.112 -3.511 309 HG2 GLN 33 HG2 GLN 33 -9.378 10.987 -2.792 310 HG3 GLN 33 HG1 GLN 33 -8.938 10.520 -4.435 311 HE21 GLN 33 HE21 GLN 33 -11.460 11.232 -2.482 312 HE22 GLN 33 HE22 GLN 33 -12.725 10.398 -3.311 313 H LEU 34 HN LEU 34 -7.116 6.943 -1.420 314 HA LEU 34 HA LEU 34 -8.749 4.667 -1.670 315 HG LEU 34 HG LEU 34 -6.976 4.604 -3.312 316 HB2 LEU 34 HB2 LEU 34 -5.916 5.176 -0.926 317 HB3 LEU 34 HB1 LEU 34 -6.586 3.601 -0.542 318 HD11 LEU 34 HD11 LEU 34 -4.839 4.659 -3.922 319 HD12 LEU 34 HD12 LEU 34 -4.477 3.166 -3.056 320 HD13 LEU 34 HD13 LEU 34 -4.437 4.711 -2.206 321 HD21 LEU 34 HD21 LEU 34 -7.925 2.483 -2.681 322 HD22 LEU 34 HD22 LEU 34 -6.365 1.923 -2.077 323 HD23 LEU 34 HD23 LEU 34 -6.592 2.210 -3.803 324 H SER 35 HN SER 35 -7.345 6.254 1.177 325 HA SER 35 HA SER 35 -8.176 4.375 3.087 326 HG SER 35 HG SER 35 -7.976 7.947 2.647 327 HB2 SER 35 HB2 SER 35 -8.198 6.637 4.542 328 HB3 SER 35 HB1 SER 35 -6.706 5.835 4.055 329 H SER 36 HN SER 36 -9.740 7.335 1.923 330 HA SER 36 HA SER 36 -12.053 7.055 3.553 331 HG SER 36 HG SER 36 -13.751 8.846 1.307 332 HB2 SER 36 HB2 SER 36 -11.360 9.229 2.662 333 HB3 SER 36 HB1 SER 36 -11.650 8.661 1.019 334 H GLU 37 HN GLU 37 -11.258 6.065 0.270 335 HA GLU 37 HA GLU 37 -13.861 5.368 -0.546 336 HB2 GLU 37 HB2 GLU 37 -11.812 5.703 -2.004 337 HB3 GLU 37 HB1 GLU 37 -11.326 4.078 -1.538 338 HG2 GLU 37 HG2 GLU 37 -12.410 3.956 -3.653 339 HG3 GLU 37 HG1 GLU 37 -13.477 3.237 -2.448 340 H LEU 38 HN LEU 38 -11.207 3.231 0.544 341 HA LEU 38 HA LEU 38 -13.050 1.010 0.763 342 HG LEU 38 HG LEU 38 -10.703 1.511 -0.974 343 HB2 LEU 38 HB2 LEU 38 -10.135 1.167 1.527 344 HB3 LEU 38 HB1 LEU 38 -11.092 -0.296 1.391 345 HD11 LEU 38 HD11 LEU 38 -8.813 0.073 -1.636 346 HD12 LEU 38 HD12 LEU 38 -8.864 -0.688 -0.046 347 HD13 LEU 38 HD13 LEU 38 -8.473 1.025 -0.191 348 HD21 LEU 38 HD21 LEU 38 -10.882 -1.434 -1.159 349 HD22 LEU 38 HD22 LEU 38 -11.572 -0.185 -2.196 350 HD23 LEU 38 HD23 LEU 38 -12.341 -0.579 -0.658 351 H GLY 39 HN GLY 39 -11.383 3.234 2.898 352 HA2 GLY 39 HA2 GLY 39 -12.297 3.801 5.032 353 HA3 GLY 39 HA1 GLY 39 -13.006 2.195 5.118 354 H LEU 40 HN LEU 40 -9.682 3.202 4.380 355 HA LEU 40 HA LEU 40 -8.800 1.710 6.763 356 HG LEU 40 HG LEU 40 -9.335 -0.042 4.898 357 HB2 LEU 40 HB2 LEU 40 -7.592 1.791 4.005 358 HB3 LEU 40 HB1 LEU 40 -6.704 1.230 5.408 359 HD11 LEU 40 HD11 LEU 40 -8.708 -0.215 2.692 360 HD12 LEU 40 HD12 LEU 40 -7.980 -1.669 3.376 361 HD13 LEU 40 HD13 LEU 40 -6.986 -0.244 3.071 362 HD21 LEU 40 HD21 LEU 40 -7.089 -0.486 6.526 363 HD22 LEU 40 HD22 LEU 40 -7.112 -1.796 5.346 364 HD23 LEU 40 HD23 LEU 40 -8.523 -1.499 6.361 365 H ASN 41 HN ASN 41 -6.520 2.336 7.418 366 HA ASN 41 HA ASN 41 -6.444 5.201 7.716 367 HB2 ASN 41 HB2 ASN 41 -5.509 2.982 9.191 368 HB3 ASN 41 HB1 ASN 41 -4.082 3.905 8.733 369 HD21 ASN 41 HD21 ASN 41 -3.599 5.678 9.846 370 HD22 ASN 41 HD22 ASN 41 -4.612 6.417 11.035 371 H GLU 42 HN GLU 42 -5.162 6.617 6.698 372 HA GLU 42 HA GLU 42 -3.958 6.076 4.274 373 HB2 GLU 42 HB2 GLU 42 -3.476 8.293 6.259 374 HB3 GLU 42 HB1 GLU 42 -2.699 8.256 4.683 375 HG2 GLU 42 HG2 GLU 42 -4.809 8.387 3.566 376 HG3 GLU 42 HG1 GLU 42 -5.679 8.199 5.088 377 H ALA 43 HN ALA 43 -2.590 5.961 7.504 378 HA ALA 43 HA ALA 43 0.124 5.735 6.770 379 HB1 ALA 43 HB1 ALA 43 0.371 4.701 9.061 380 HB2 ALA 43 HB2 ALA 43 -1.376 4.875 9.232 381 HB3 ALA 43 HB3 ALA 43 -0.365 6.303 9.015 382 H GLN 44 HN GLN 44 -2.447 3.355 7.167 383 HA GLN 44 HA GLN 44 -0.767 1.071 6.958 384 HB2 GLN 44 HB2 GLN 44 -3.697 1.202 6.245 385 HB3 GLN 44 HB1 GLN 44 -2.782 -0.206 6.766 386 HG2 GLN 44 HG2 GLN 44 -2.480 1.653 8.818 387 HG3 GLN 44 HG1 GLN 44 -4.169 1.768 8.331 388 HE21 GLN 44 HE21 GLN 44 -2.423 0.467 10.591 389 HE22 GLN 44 HE22 GLN 44 -3.197 -1.062 10.811 390 H ILE 45 HN ILE 45 -2.676 2.939 4.638 391 HA ILE 45 HA ILE 45 -2.208 1.259 2.412 392 HB ILE 45 HB ILE 45 -2.702 4.238 2.351 393 HG12 ILE 45 HG12 ILE 45 -4.971 2.431 1.889 394 HG13 ILE 45 HG11 ILE 45 -4.341 2.375 3.532 395 HG21 ILE 45 HG21 ILE 45 -3.807 2.506 0.258 396 HG22 ILE 45 HG22 ILE 45 -2.046 2.596 0.289 397 HG23 ILE 45 HG23 ILE 45 -3.001 4.070 0.133 398 HD11 ILE 45 HD11 ILE 45 -6.201 4.119 2.681 399 HD12 ILE 45 HD12 ILE 45 -4.735 5.067 2.428 400 HD13 ILE 45 HD13 ILE 45 -5.104 4.424 4.028 401 H LYS 46 HN LYS 46 -0.544 4.150 3.622 402 HA LYS 46 HA LYS 46 1.333 4.413 1.569 403 HB2 LYS 46 HB2 LYS 46 0.899 6.103 3.344 404 HB3 LYS 46 HB1 LYS 46 1.736 5.067 4.492 405 HG2 LYS 46 HG2 LYS 46 3.450 6.438 3.942 406 HG3 LYS 46 HG1 LYS 46 3.653 5.236 2.666 407 HD2 LYS 46 HD2 LYS 46 2.318 6.653 1.154 408 HD3 LYS 46 HD1 LYS 46 2.191 7.866 2.430 409 HE2 LYS 46 HE2 LYS 46 4.802 6.876 1.299 410 HE3 LYS 46 HE1 LYS 46 3.967 8.319 0.728 411 HZ1 LYS 46 HZ1 LYS 46 5.067 9.404 2.303 412 HZ2 LYS 46 HZ2 LYS 46 5.611 7.978 3.031 413 HZ3 LYS 46 HZ3 LYS 46 4.102 8.617 3.448 414 H ILE 47 HN ILE 47 1.514 2.591 4.618 415 HA ILE 47 HA ILE 47 4.152 1.638 4.214 416 HB ILE 47 HB ILE 47 1.934 0.428 5.873 417 HG12 ILE 47 HG12 ILE 47 4.229 2.099 6.876 418 HG13 ILE 47 HG11 ILE 47 2.727 2.842 6.337 419 HG21 ILE 47 HG21 ILE 47 3.624 -0.795 7.043 420 HG22 ILE 47 HG22 ILE 47 4.907 0.008 6.138 421 HG23 ILE 47 HG23 ILE 47 3.821 -1.116 5.320 422 HD11 ILE 47 HD11 ILE 47 1.492 1.617 8.022 423 HD12 ILE 47 HD12 ILE 47 2.801 2.540 8.760 424 HD13 ILE 47 HD13 ILE 47 2.968 0.799 8.532 425 H TRP 48 HN TRP 48 0.973 0.412 3.335 426 HA TRP 48 HA TRP 48 1.729 -2.166 2.532 427 HD1 TRP 48 HD1 TRP 48 -0.794 -4.103 2.421 428 HE1 TRP 48 HE1 TRP 48 -1.386 -5.486 0.334 429 HE3 TRP 48 HE3 TRP 48 -0.253 -0.470 -1.146 430 HZ2 TRP 48 HZ2 TRP 48 -1.597 -5.096 -2.451 431 HZ3 TRP 48 HZ3 TRP 48 -0.666 -1.064 -3.497 432 HH2 TRP 48 HH2 TRP 48 -1.322 -3.326 -4.133 433 HB2 TRP 48 HB2 TRP 48 -0.619 -1.472 2.833 434 HB3 TRP 48 HB1 TRP 48 -0.489 -0.432 1.417 435 H PHE 49 HN PHE 49 1.590 0.886 0.741 436 HA PHE 49 HA PHE 49 2.351 -0.229 -1.758 437 HD1 PHE 49 HD1 PHE 49 2.737 1.783 -4.152 438 HD2 PHE 49 HD2 PHE 49 -0.429 1.977 -1.316 439 HE1 PHE 49 HE1 PHE 49 1.098 1.758 -5.984 440 HE2 PHE 49 HE2 PHE 49 -2.074 1.951 -3.145 441 HZ PHE 49 HZ PHE 49 -1.311 1.841 -5.484 442 HB2 PHE 49 HB2 PHE 49 1.832 2.428 -0.662 443 HB3 PHE 49 HB1 PHE 49 3.143 2.428 -1.837 444 H GLN 50 HN GLN 50 4.131 1.333 0.870 445 HA GLN 50 HA GLN 50 6.650 1.382 -0.388 446 HB2 GLN 50 HB2 GLN 50 5.998 2.637 1.695 447 HB3 GLN 50 HB1 GLN 50 6.125 1.121 2.577 448 HG2 GLN 50 HG2 GLN 50 8.501 0.975 1.825 449 HG3 GLN 50 HG1 GLN 50 8.328 2.600 1.163 450 HE21 GLN 50 HE21 GLN 50 7.253 4.137 2.857 451 HE22 GLN 50 HE22 GLN 50 7.989 4.107 4.419 452 H ASN 51 HN ASN 51 5.013 -1.048 1.572 453 HA ASN 51 HA ASN 51 7.237 -2.824 1.727 454 HB2 ASN 51 HB2 ASN 51 4.526 -2.733 2.699 455 HB3 ASN 51 HB1 ASN 51 4.854 -4.316 2.001 456 HD21 ASN 51 HD21 ASN 51 6.372 -1.915 4.126 457 HD22 ASN 51 HD22 ASN 51 7.018 -3.063 5.244 458 H LYS 52 HN LYS 52 4.486 -2.469 -0.437 459 HA LYS 52 HA LYS 52 4.870 -4.870 -1.883 460 HB2 LYS 52 HB2 LYS 52 3.061 -2.691 -1.916 461 HB3 LYS 52 HB1 LYS 52 3.719 -2.829 -3.539 462 HG2 LYS 52 HG2 LYS 52 1.767 -4.147 -3.491 463 HG3 LYS 52 HG1 LYS 52 3.126 -5.272 -3.452 464 HD2 LYS 52 HD2 LYS 52 2.883 -5.423 -0.997 465 HD3 LYS 52 HD1 LYS 52 1.468 -4.373 -1.097 466 HE2 LYS 52 HE2 LYS 52 0.311 -6.004 -2.457 467 HE3 LYS 52 HE1 LYS 52 1.743 -7.032 -2.492 468 HZ1 LYS 52 HZ1 LYS 52 1.360 -7.789 -0.420 469 HZ2 LYS 52 HZ2 LYS 52 -0.239 -7.355 -0.762 470 HZ3 LYS 52 HZ3 LYS 52 0.743 -6.316 0.143 471 H ARG 53 HN ARG 53 6.171 -1.629 -2.191 472 HA ARG 53 HA ARG 53 7.347 -1.979 -4.753 473 HE ARG 53 HE ARG 53 8.255 2.553 -3.424 474 HB2 ARG 53 HB2 ARG 53 6.943 0.150 -3.074 475 HB3 ARG 53 HB1 ARG 53 8.679 -0.090 -2.937 476 HG2 ARG 53 HG2 ARG 53 8.131 -0.246 -5.669 477 HG3 ARG 53 HG1 ARG 53 7.153 1.094 -5.067 478 HD2 ARG 53 HD2 ARG 53 10.104 0.755 -4.551 479 HD3 ARG 53 HD1 ARG 53 9.421 1.770 -5.820 480 HH11 ARG 53 HH11 ARG 53 11.433 2.496 -4.864 481 HH12 ARG 53 HH12 ARG 53 11.994 3.877 -3.983 482 HH21 ARG 53 HH21 ARG 53 8.991 4.371 -2.265 483 HH22 ARG 53 HH22 ARG 53 10.609 4.942 -2.507 484 H ALA 54 HN ALA 54 8.390 -2.630 -1.480 485 HA ALA 54 HA ALA 54 11.141 -3.022 -2.059 486 HB1 ALA 54 HB1 ALA 54 11.385 -3.533 0.151 487 HB2 ALA 54 HB2 ALA 54 9.867 -4.427 0.227 488 HB3 ALA 54 HB3 ALA 54 9.852 -2.664 0.215 489 H LYS 55 HN LYS 55 8.370 -4.949 -2.631 490 HA LYS 55 HA LYS 55 9.645 -7.501 -2.484 491 HB2 LYS 55 HB2 LYS 55 7.002 -6.464 -3.148 492 HB3 LYS 55 HB1 LYS 55 7.472 -7.813 -4.173 493 HG2 LYS 55 HG2 LYS 55 7.557 -9.297 -2.417 494 HG3 LYS 55 HG1 LYS 55 7.813 -8.027 -1.219 495 HD2 LYS 55 HD2 LYS 55 5.250 -8.129 -2.754 496 HD3 LYS 55 HD1 LYS 55 5.497 -9.215 -1.385 497 HE2 LYS 55 HE2 LYS 55 6.201 -6.399 -0.907 498 HE3 LYS 55 HE1 LYS 55 4.489 -6.710 -1.188 499 HZ1 LYS 55 HZ1 LYS 55 5.527 -8.639 0.591 500 HZ2 LYS 55 HZ2 LYS 55 4.303 -7.503 0.857 501 HZ3 LYS 55 HZ3 LYS 55 5.916 -7.093 1.159 502 H ILE 56 HN ILE 56 9.217 -5.088 -4.979 503 HA ILE 56 HA ILE 56 10.197 -6.872 -7.055 504 HB ILE 56 HB ILE 56 9.596 -3.922 -7.271 505 HG12 ILE 56 HG12 ILE 56 7.800 -6.258 -7.960 506 HG13 ILE 56 HG11 ILE 56 7.636 -5.276 -6.508 507 HG21 ILE 56 HG21 ILE 56 9.264 -5.616 -9.622 508 HG22 ILE 56 HG22 ILE 56 10.922 -5.567 -9.022 509 HG23 ILE 56 HG23 ILE 56 10.092 -4.069 -9.445 510 HD11 ILE 56 HD11 ILE 56 7.490 -4.155 -9.292 511 HD12 ILE 56 HD12 ILE 56 7.066 -3.355 -7.779 512 HD13 ILE 56 HD13 ILE 56 6.085 -4.694 -8.373 513 H LYS 57 HN LYS 57 11.185 -3.679 -5.787 514 HA LYS 57 HA LYS 57 13.849 -4.053 -6.870 515 HB2 LYS 57 HB2 LYS 57 14.250 -1.770 -5.879 516 HB3 LYS 57 HB1 LYS 57 12.985 -1.848 -7.096 517 HG2 LYS 57 HG2 LYS 57 11.337 -1.364 -5.619 518 HG3 LYS 57 HG1 LYS 57 12.153 -2.163 -4.275 519 HD2 LYS 57 HD2 LYS 57 13.726 0.067 -5.120 520 HD3 LYS 57 HD1 LYS 57 12.061 0.601 -4.880 521 HE2 LYS 57 HE2 LYS 57 13.559 -1.044 -2.854 522 HE3 LYS 57 HE1 LYS 57 13.584 0.719 -2.860 523 HZ1 LYS 57 HZ1 LYS 57 11.272 -1.073 -2.415 524 HZ2 LYS 57 HZ2 LYS 57 11.075 0.562 -2.798 525 HZ3 LYS 57 HZ3 LYS 57 11.890 0.118 -1.384 526 H LYS 58 HN LYS 58 15.096 -5.430 -5.766 527 HA LYS 58 HA LYS 58 15.012 -5.443 -2.847 528 HB2 LYS 58 HB2 LYS 58 16.568 -7.249 -4.704 529 HB3 LYS 58 HB1 LYS 58 16.306 -7.487 -2.982 530 HG2 LYS 58 HG2 LYS 58 13.835 -7.213 -4.510 531 HG3 LYS 58 HG1 LYS 58 14.821 -8.595 -4.990 532 HD2 LYS 58 HD2 LYS 58 14.184 -9.722 -3.182 533 HD3 LYS 58 HD1 LYS 58 14.762 -8.426 -2.133 534 HE2 LYS 58 HE2 LYS 58 12.692 -7.430 -1.998 535 HE3 LYS 58 HE1 LYS 58 12.150 -8.103 -3.535 536 HZ1 LYS 58 HZ1 LYS 58 11.148 -9.062 -1.429 537 HZ2 LYS 58 HZ2 LYS 58 12.641 -9.816 -1.175 538 HZ3 LYS 58 HZ3 LYS 58 11.740 -10.171 -2.562 539 H SER 59 HN SER 59 17.684 -5.700 -5.196 540 HA SER 59 HA SER 59 19.071 -3.503 -3.891 541 HG SER 59 HG SER 59 21.560 -4.012 -3.165 542 HB2 SER 59 HB2 SER 59 19.859 -5.311 -2.534 543 HB3 SER 59 HB1 SER 59 20.135 -6.332 -3.946 Start of MODEL 2 1 HA MET -1 HA MET -1 11.942 -0.677 9.591 2 H1 MET -1 HT1 MET -1 10.276 -1.568 10.678 3 H2 MET -1 HT2 MET -1 9.431 -0.084 10.852 4 H3 MET -1 HT3 MET -1 10.718 -0.474 11.919 5 HB2 MET -1 HB2 MET -1 9.633 1.213 9.335 6 HB3 MET -1 HB1 MET -1 11.143 1.592 8.517 7 HG2 MET -1 HG2 MET -1 9.632 0.454 7.018 8 HG3 MET -1 HG1 MET -1 11.044 -0.550 7.344 9 HE1 MET -1 HE1 MET -1 7.917 -2.791 6.683 10 HE2 MET -1 HE2 MET -1 8.649 -1.360 5.956 11 HE3 MET -1 HE3 MET -1 7.162 -1.212 6.894 12 H ASP 0 HN ASP 0 10.701 1.528 12.016 13 HA ASP 0 HA ASP 0 13.424 2.506 12.451 14 HB2 ASP 0 HB2 ASP 0 11.277 4.076 11.352 15 HB3 ASP 0 HB1 ASP 0 11.730 4.719 12.928 16 H GLU 1 HN GLU 1 10.212 3.343 13.735 17 HA GLU 1 HA GLU 1 11.121 2.402 16.375 18 HB2 GLU 1 HB2 GLU 1 9.719 4.228 17.358 19 HB3 GLU 1 HB1 GLU 1 11.119 4.794 16.459 20 HG2 GLU 1 HG2 GLU 1 9.063 4.696 14.588 21 HG3 GLU 1 HG1 GLU 1 8.322 5.343 16.050 22 H LYS 2 HN LYS 2 8.432 2.819 14.148 23 HA LYS 2 HA LYS 2 6.894 0.887 15.754 24 HB2 LYS 2 HB2 LYS 2 6.064 3.358 15.573 25 HB3 LYS 2 HB1 LYS 2 5.556 2.881 13.960 26 HG2 LYS 2 HG2 LYS 2 4.716 0.965 15.961 27 HG3 LYS 2 HG1 LYS 2 4.121 2.590 16.306 28 HD2 LYS 2 HD2 LYS 2 3.500 2.575 13.761 29 HD3 LYS 2 HD1 LYS 2 3.577 0.823 13.960 30 HE2 LYS 2 HE2 LYS 2 1.321 1.449 14.322 31 HE3 LYS 2 HE1 LYS 2 2.005 1.085 15.906 32 HZ1 LYS 2 HZ1 LYS 2 2.338 3.480 16.236 33 HZ2 LYS 2 HZ2 LYS 2 0.707 3.088 16.016 34 HZ3 LYS 2 HZ3 LYS 2 1.584 3.788 14.751 35 H ARG 3 HN ARG 3 5.191 -0.250 14.396 36 HA ARG 3 HA ARG 3 5.619 -0.495 11.584 37 HE ARG 3 HE ARG 3 7.535 -4.889 15.399 38 HB2 ARG 3 HB2 ARG 3 6.349 -2.891 11.661 39 HB3 ARG 3 HB1 ARG 3 7.567 -1.743 12.201 40 HG2 ARG 3 HG2 ARG 3 6.584 -2.273 14.567 41 HG3 ARG 3 HG1 ARG 3 6.017 -3.742 13.770 42 HD2 ARG 3 HD2 ARG 3 8.310 -4.228 13.055 43 HD3 ARG 3 HD1 ARG 3 8.867 -2.766 13.867 44 HH11 ARG 3 HH11 ARG 3 10.377 -2.951 14.762 45 HH12 ARG 3 HH12 ARG 3 11.187 -3.452 16.205 46 HH21 ARG 3 HH21 ARG 3 8.611 -5.545 17.289 47 HH22 ARG 3 HH22 ARG 3 10.190 -4.923 17.637 48 HA PRO 4 HA PRO 4 1.494 -1.919 12.982 49 HB2 PRO 4 HB2 PRO 4 0.039 -0.501 11.237 50 HB3 PRO 4 HB1 PRO 4 0.730 0.247 12.683 51 HG2 PRO 4 HG2 PRO 4 1.707 0.328 9.857 52 HG3 PRO 4 HG1 PRO 4 1.630 1.634 11.052 53 HD2 PRO 4 HD2 PRO 4 3.907 0.205 10.462 54 HD3 PRO 4 HD1 PRO 4 3.622 1.037 12.003 55 H ARG 5 HN ARG 5 0.180 -3.486 12.111 56 HA ARG 5 HA ARG 5 0.096 -4.088 9.325 57 HE ARG 5 HE ARG 5 2.362 -3.838 7.702 58 HB2 ARG 5 HB2 ARG 5 2.349 -4.999 10.058 59 HB3 ARG 5 HB1 ARG 5 1.465 -6.154 11.046 60 HG2 ARG 5 HG2 ARG 5 2.079 -7.212 8.995 61 HG3 ARG 5 HG1 ARG 5 0.332 -6.964 8.995 62 HD2 ARG 5 HD2 ARG 5 1.516 -6.417 6.838 63 HD3 ARG 5 HD1 ARG 5 0.500 -5.137 7.500 64 HH11 ARG 5 HH11 ARG 5 3.369 -7.170 7.462 65 HH12 ARG 5 HH12 ARG 5 5.056 -6.786 7.402 66 HH21 ARG 5 HH21 ARG 5 4.581 -3.330 7.623 67 HH22 ARG 5 HH22 ARG 5 5.745 -4.606 7.493 68 H THR 6 HN THR 6 -1.868 -4.870 8.965 69 HA THR 6 HA THR 6 -3.089 -6.654 10.945 70 HB THR 6 HB THR 6 -3.978 -4.448 11.446 71 HG1 THR 6 HG1 THR 6 -5.932 -5.886 9.989 72 HG21 THR 6 HG21 THR 6 -4.280 -2.910 9.894 73 HG22 THR 6 HG22 THR 6 -5.596 -3.872 9.223 74 HG23 THR 6 HG23 THR 6 -3.952 -4.086 8.623 75 H ALA 7 HN ALA 7 -4.992 -7.810 10.076 76 HA ALA 7 HA ALA 7 -4.408 -8.854 7.480 77 HB1 ALA 7 HB1 ALA 7 -5.210 -10.385 9.104 78 HB2 ALA 7 HB2 ALA 7 -6.479 -10.225 7.890 79 HB3 ALA 7 HB3 ALA 7 -6.630 -9.393 9.437 80 H PHE 8 HN PHE 8 -4.936 -7.853 5.661 81 HA PHE 8 HA PHE 8 -7.072 -5.918 5.559 82 HD1 PHE 8 HD1 PHE 8 -3.545 -6.490 5.432 83 HD2 PHE 8 HD2 PHE 8 -5.794 -3.517 3.380 84 HE1 PHE 8 HE1 PHE 8 -1.956 -4.773 6.189 85 HE2 PHE 8 HE2 PHE 8 -4.206 -1.794 4.131 86 HZ PHE 8 HZ PHE 8 -2.285 -2.420 5.539 87 HB2 PHE 8 HB2 PHE 8 -5.181 -6.975 3.448 88 HB3 PHE 8 HB1 PHE 8 -6.387 -5.729 3.143 89 H SER 9 HN SER 9 -8.295 -6.166 3.191 90 HA SER 9 HA SER 9 -9.627 -8.790 3.359 91 HG SER 9 HG SER 9 -11.564 -6.384 1.331 92 HB2 SER 9 HB2 SER 9 -11.698 -7.780 2.916 93 HB3 SER 9 HB1 SER 9 -10.917 -6.634 4.006 94 H SER 10 HN SER 10 -10.314 -9.768 1.404 95 HA SER 10 HA SER 10 -8.523 -9.675 -0.706 96 HG SER 10 HG SER 10 -11.408 -11.999 0.131 97 HB2 SER 10 HB2 SER 10 -11.337 -10.446 -1.315 98 HB3 SER 10 HB1 SER 10 -9.830 -11.273 -1.714 99 H GLU 11 HN GLU 11 -11.541 -7.918 -0.244 100 HA GLU 11 HA GLU 11 -11.745 -6.816 -2.824 101 HB2 GLU 11 HB2 GLU 11 -12.806 -6.046 -0.130 102 HB3 GLU 11 HB1 GLU 11 -12.984 -4.933 -1.478 103 HG2 GLU 11 HG2 GLU 11 -13.782 -7.629 -2.174 104 HG3 GLU 11 HG1 GLU 11 -14.687 -6.995 -0.802 105 H GLN 12 HN GLN 12 -10.211 -5.596 0.145 106 HA GLN 12 HA GLN 12 -9.272 -3.187 -1.040 107 HB2 GLN 12 HB2 GLN 12 -8.205 -4.657 1.380 108 HB3 GLN 12 HB1 GLN 12 -7.874 -2.982 0.960 109 HG2 GLN 12 HG2 GLN 12 -9.994 -2.278 1.536 110 HG3 GLN 12 HG1 GLN 12 -10.688 -3.891 1.358 111 HE21 GLN 12 HE21 GLN 12 -10.993 -2.128 3.583 112 HE22 GLN 12 HE22 GLN 12 -10.319 -2.920 4.963 113 H LEU 13 HN LEU 13 -8.070 -6.442 -0.782 114 HA LEU 13 HA LEU 13 -5.377 -5.981 -1.477 115 HG LEU 13 HG LEU 13 -5.565 -9.346 -0.041 116 HB2 LEU 13 HB2 LEU 13 -7.208 -8.298 -1.339 117 HB3 LEU 13 HB1 LEU 13 -5.837 -8.482 -2.414 118 HD11 LEU 13 HD11 LEU 13 -3.454 -9.332 -0.697 119 HD12 LEU 13 HD12 LEU 13 -3.298 -7.686 -0.083 120 HD13 LEU 13 HD13 LEU 13 -3.756 -7.961 -1.764 121 HD21 LEU 13 HD21 LEU 13 -4.695 -6.784 0.982 122 HD22 LEU 13 HD22 LEU 13 -5.745 -7.994 1.717 123 HD23 LEU 13 HD23 LEU 13 -6.421 -6.787 0.626 124 H ALA 14 HN ALA 14 -8.193 -6.915 -3.442 125 HA ALA 14 HA ALA 14 -6.837 -6.998 -5.909 126 HB1 ALA 14 HB1 ALA 14 -9.440 -6.333 -6.543 127 HB2 ALA 14 HB2 ALA 14 -9.590 -7.148 -4.986 128 HB3 ALA 14 HB3 ALA 14 -8.802 -7.965 -6.337 129 H ARG 15 HN ARG 15 -8.768 -4.433 -4.380 130 HA ARG 15 HA ARG 15 -8.468 -2.555 -6.461 131 HE ARG 15 HE ARG 15 -13.275 -0.531 -5.356 132 HB2 ARG 15 HB2 ARG 15 -9.194 -2.359 -3.558 133 HB3 ARG 15 HB1 ARG 15 -8.936 -0.896 -4.501 134 HG2 ARG 15 HG2 ARG 15 -10.652 -1.689 -6.106 135 HG3 ARG 15 HG1 ARG 15 -10.964 -3.055 -5.034 136 HD2 ARG 15 HD2 ARG 15 -12.276 -1.814 -3.738 137 HD3 ARG 15 HD1 ARG 15 -11.024 -0.586 -3.559 138 HH11 ARG 15 HH11 ARG 15 -10.090 0.732 -4.690 139 HH12 ARG 15 HH12 ARG 15 -10.334 2.177 -5.612 140 HH21 ARG 15 HH21 ARG 15 -13.597 1.369 -6.571 141 HH22 ARG 15 HH22 ARG 15 -12.324 2.539 -6.679 142 H LEU 16 HN LEU 16 -6.606 -3.118 -3.496 143 HA LEU 16 HA LEU 16 -4.836 -0.944 -3.805 144 HG LEU 16 HG LEU 16 -5.789 -1.184 -1.494 145 HB2 LEU 16 HB2 LEU 16 -4.770 -3.508 -2.273 146 HB3 LEU 16 HB1 LEU 16 -3.306 -2.557 -2.401 147 HD11 LEU 16 HD11 LEU 16 -5.844 -2.076 0.590 148 HD12 LEU 16 HD12 LEU 16 -4.127 -2.479 0.585 149 HD13 LEU 16 HD13 LEU 16 -5.274 -3.499 -0.282 150 HD21 LEU 16 HD21 LEU 16 -4.349 0.344 -0.614 151 HD22 LEU 16 HD22 LEU 16 -3.327 -0.280 -1.910 152 HD23 LEU 16 HD23 LEU 16 -3.110 -0.860 -0.259 153 H LYS 17 HN LYS 17 -4.571 -4.359 -4.741 154 HA LYS 17 HA LYS 17 -2.002 -4.223 -5.858 155 HB2 LYS 17 HB2 LYS 17 -4.345 -6.058 -6.247 156 HB3 LYS 17 HB1 LYS 17 -2.917 -6.224 -7.260 157 HG2 LYS 17 HG2 LYS 17 -1.540 -6.694 -5.377 158 HG3 LYS 17 HG1 LYS 17 -2.834 -6.273 -4.254 159 HD2 LYS 17 HD2 LYS 17 -4.041 -8.208 -4.728 160 HD3 LYS 17 HD1 LYS 17 -3.205 -8.468 -6.260 161 HE2 LYS 17 HE2 LYS 17 -1.140 -8.591 -4.498 162 HE3 LYS 17 HE1 LYS 17 -2.455 -9.264 -3.535 163 HZ1 LYS 17 HZ1 LYS 17 -2.849 -10.612 -5.743 164 HZ2 LYS 17 HZ2 LYS 17 -1.739 -11.132 -4.578 165 HZ3 LYS 17 HZ3 LYS 17 -1.197 -10.314 -5.956 166 H ARG 18 HN ARG 18 -5.183 -3.556 -7.201 167 HA ARG 18 HA ARG 18 -4.430 -3.342 -9.904 168 HE ARG 18 HE ARG 18 -8.741 -4.064 -8.983 169 HB2 ARG 18 HB2 ARG 18 -6.785 -3.013 -8.386 170 HB3 ARG 18 HB1 ARG 18 -6.550 -1.501 -9.252 171 HG2 ARG 18 HG2 ARG 18 -6.337 -2.809 -11.355 172 HG3 ARG 18 HG1 ARG 18 -6.754 -4.259 -10.439 173 HD2 ARG 18 HD2 ARG 18 -8.502 -1.813 -10.486 174 HD3 ARG 18 HD1 ARG 18 -8.647 -3.104 -11.678 175 HH11 ARG 18 HH11 ARG 18 -10.634 -2.645 -11.549 176 HH12 ARG 18 HH12 ARG 18 -12.133 -3.284 -10.965 177 HH21 ARG 18 HH21 ARG 18 -10.713 -4.907 -8.214 178 HH22 ARG 18 HH22 ARG 18 -12.178 -4.568 -9.072 179 H GLU 19 HN GLU 19 -4.712 -0.897 -7.345 180 HA GLU 19 HA GLU 19 -3.941 1.300 -8.950 181 HB2 GLU 19 HB2 GLU 19 -4.174 0.780 -6.022 182 HB3 GLU 19 HB1 GLU 19 -3.271 2.195 -6.543 183 HG2 GLU 19 HG2 GLU 19 -5.439 2.569 -8.018 184 HG3 GLU 19 HG1 GLU 19 -6.169 1.613 -6.728 185 H PHE 20 HN PHE 20 -2.141 -0.984 -6.969 186 HA PHE 20 HA PHE 20 0.351 0.336 -7.057 187 HD1 PHE 20 HD1 PHE 20 1.693 -0.215 -4.702 188 HD2 PHE 20 HD2 PHE 20 2.008 -3.449 -7.450 189 HE1 PHE 20 HE1 PHE 20 4.094 -0.403 -4.200 190 HE2 PHE 20 HE2 PHE 20 4.410 -3.644 -6.951 191 HZ PHE 20 HZ PHE 20 5.455 -2.120 -5.323 192 HB2 PHE 20 HB2 PHE 20 -0.295 -1.521 -5.485 193 HB3 PHE 20 HB1 PHE 20 -0.107 -2.643 -6.829 194 H ASN 21 HN ASN 21 -1.169 -2.039 -9.179 195 HA ASN 21 HA ASN 21 1.092 -2.538 -10.799 196 HB2 ASN 21 HB2 ASN 21 -1.453 -3.575 -10.606 197 HB3 ASN 21 HB1 ASN 21 -1.490 -2.756 -12.165 198 HD21 ASN 21 HD21 ASN 21 -0.534 -5.509 -10.481 199 HD22 ASN 21 HD22 ASN 21 0.396 -6.257 -11.729 200 H GLU 22 HN GLU 22 -1.304 -0.008 -10.787 201 HA GLU 22 HA GLU 22 -0.603 0.950 -13.423 202 HB2 GLU 22 HB2 GLU 22 -2.238 2.374 -11.321 203 HB3 GLU 22 HB1 GLU 22 -2.232 2.671 -13.054 204 HG2 GLU 22 HG2 GLU 22 -2.966 -0.051 -12.171 205 HG3 GLU 22 HG1 GLU 22 -4.112 1.242 -11.823 206 H ASN 23 HN ASN 23 0.125 1.741 -10.083 207 HA ASN 23 HA ASN 23 2.447 3.234 -10.894 208 HB2 ASN 23 HB2 ASN 23 0.645 4.940 -11.053 209 HB3 ASN 23 HB1 ASN 23 0.270 4.666 -9.355 210 HD21 ASN 23 HD21 ASN 23 0.946 6.335 -8.231 211 HD22 ASN 23 HD22 ASN 23 2.475 7.122 -8.395 212 H ARG 24 HN ARG 24 3.962 2.499 -9.566 213 HA ARG 24 HA ARG 24 3.338 1.243 -7.081 214 HE ARG 24 HE ARG 24 5.880 -2.435 -9.635 215 HB2 ARG 24 HB2 ARG 24 5.890 1.891 -8.520 216 HB3 ARG 24 HB1 ARG 24 5.920 1.262 -6.878 217 HG2 ARG 24 HG2 ARG 24 4.704 -0.720 -7.605 218 HG3 ARG 24 HG1 ARG 24 4.644 -0.086 -9.249 219 HD2 ARG 24 HD2 ARG 24 7.268 0.054 -8.874 220 HD3 ARG 24 HD1 ARG 24 6.918 -1.241 -7.732 221 HH11 ARG 24 HH11 ARG 24 8.248 0.060 -10.281 222 HH12 ARG 24 HH12 ARG 24 8.681 -0.588 -11.824 223 HH21 ARG 24 HH21 ARG 24 6.458 -3.275 -11.663 224 HH22 ARG 24 HH22 ARG 24 7.669 -2.476 -12.609 225 H TYR 25 HN TYR 25 3.602 4.470 -7.864 226 HA TYR 25 HA TYR 25 4.650 5.215 -5.228 227 HD1 TYR 25 HD1 TYR 25 6.054 4.389 -7.655 228 HD2 TYR 25 HD2 TYR 25 6.794 8.389 -6.405 229 HE1 TYR 25 HE1 TYR 25 8.465 4.029 -7.953 230 HE2 TYR 25 HE2 TYR 25 9.210 8.039 -6.703 231 HH TYR 25 HH TYR 25 10.640 6.312 -8.275 232 HB2 TYR 25 HB2 TYR 25 4.325 6.745 -7.805 233 HB3 TYR 25 HB1 TYR 25 4.631 7.559 -6.276 234 H LEU 26 HN LEU 26 3.537 7.404 -4.470 235 HA LEU 26 HA LEU 26 0.648 7.268 -4.882 236 HG LEU 26 HG LEU 26 0.878 4.830 -3.074 237 HB2 LEU 26 HB2 LEU 26 2.092 6.713 -2.353 238 HB3 LEU 26 HB1 LEU 26 0.656 7.705 -2.229 239 HD11 LEU 26 HD11 LEU 26 -1.021 6.152 -1.153 240 HD12 LEU 26 HD12 LEU 26 0.579 5.583 -0.670 241 HD13 LEU 26 HD13 LEU 26 -0.613 4.440 -1.289 242 HD21 LEU 26 HD21 LEU 26 -1.597 6.524 -3.379 243 HD22 LEU 26 HD22 LEU 26 -1.398 4.822 -3.797 244 HD23 LEU 26 HD23 LEU 26 -0.553 6.059 -4.723 245 H THR 27 HN THR 27 -0.323 9.055 -3.276 246 HA THR 27 HA THR 27 1.282 11.451 -3.125 247 HB THR 27 HB THR 27 -0.080 12.806 -4.565 248 HG1 THR 27 HG1 THR 27 -1.830 11.849 -5.718 249 HG21 THR 27 HG21 THR 27 0.238 11.854 -6.754 250 HG22 THR 27 HG22 THR 27 0.473 10.253 -6.055 251 HG23 THR 27 HG23 THR 27 1.648 11.531 -5.747 252 H GLU 28 HN GLU 28 -0.047 13.268 -2.142 253 HA GLU 28 HA GLU 28 -1.311 12.394 0.182 254 HB2 GLU 28 HB2 GLU 28 -0.667 14.901 -1.026 255 HB3 GLU 28 HB1 GLU 28 -2.333 14.974 -0.471 256 HG2 GLU 28 HG2 GLU 28 -1.703 15.168 1.641 257 HG3 GLU 28 HG1 GLU 28 -0.640 13.768 1.521 258 H ARG 29 HN ARG 29 -2.755 13.692 -2.793 259 HA ARG 29 HA ARG 29 -5.438 13.390 -2.034 260 HE ARG 29 HE ARG 29 -8.833 15.708 -4.967 261 HB2 ARG 29 HB2 ARG 29 -4.534 14.716 -3.991 262 HB3 ARG 29 HB1 ARG 29 -4.381 13.192 -4.854 263 HG2 ARG 29 HG2 ARG 29 -6.429 13.736 -5.603 264 HG3 ARG 29 HG1 ARG 29 -6.944 13.015 -4.077 265 HD2 ARG 29 HD2 ARG 29 -6.751 15.333 -3.076 266 HD3 ARG 29 HD1 ARG 29 -6.581 15.930 -4.726 267 HH11 ARG 29 HH11 ARG 29 -7.807 13.613 -2.371 268 HH12 ARG 29 HH12 ARG 29 -9.418 13.132 -1.955 269 HH21 ARG 29 HH21 ARG 29 -10.953 15.076 -4.422 270 HH22 ARG 29 HH22 ARG 29 -11.203 13.962 -3.119 271 H ARG 30 HN ARG 30 -3.174 11.157 -3.566 272 HA ARG 30 HA ARG 30 -5.089 9.172 -4.216 273 HE ARG 30 HE ARG 30 -3.479 6.594 -7.562 274 HB2 ARG 30 HB2 ARG 30 -2.106 9.232 -3.984 275 HB3 ARG 30 HB1 ARG 30 -2.933 7.693 -4.174 276 HG2 ARG 30 HG2 ARG 30 -3.170 10.029 -6.056 277 HG3 ARG 30 HG1 ARG 30 -2.143 8.616 -6.306 278 HD2 ARG 30 HD2 ARG 30 -4.624 7.532 -5.759 279 HD3 ARG 30 HD1 ARG 30 -4.999 8.946 -6.740 280 HH11 ARG 30 HH11 ARG 30 -4.705 9.768 -8.364 281 HH12 ARG 30 HH12 ARG 30 -4.502 9.547 -10.068 282 HH21 ARG 30 HH21 ARG 30 -3.211 6.313 -9.801 283 HH22 ARG 30 HH22 ARG 30 -3.655 7.589 -10.883 284 H ARG 31 HN ARG 31 -2.900 9.585 -1.451 285 HA ARG 31 HA ARG 31 -3.534 7.178 -0.157 286 HE ARG 31 HE ARG 31 0.956 8.183 0.962 287 HB2 ARG 31 HB2 ARG 31 -1.847 9.332 0.328 288 HB3 ARG 31 HB1 ARG 31 -2.969 9.368 1.681 289 HG2 ARG 31 HG2 ARG 31 -2.419 7.091 2.253 290 HG3 ARG 31 HG1 ARG 31 -1.384 6.954 0.830 291 HD2 ARG 31 HD2 ARG 31 -0.954 8.909 3.083 292 HD3 ARG 31 HD1 ARG 31 -0.135 7.357 2.936 293 HH11 ARG 31 HH11 ARG 31 -0.740 10.614 2.825 294 HH12 ARG 31 HH12 ARG 31 0.173 11.925 2.162 295 HH21 ARG 31 HH21 ARG 31 2.145 9.913 0.100 296 HH22 ARG 31 HH22 ARG 31 1.806 11.531 0.619 297 H GLN 32 HN GLN 32 -4.873 10.441 0.212 298 HA GLN 32 HA GLN 32 -6.720 9.835 2.241 299 HB2 GLN 32 HB2 GLN 32 -6.035 12.130 1.605 300 HB3 GLN 32 HB1 GLN 32 -6.938 11.964 0.106 301 HG2 GLN 32 HG2 GLN 32 -8.841 11.346 1.935 302 HG3 GLN 32 HG1 GLN 32 -7.874 12.520 2.825 303 HE21 GLN 32 HE21 GLN 32 -10.152 12.024 0.333 304 HE22 GLN 32 HE22 GLN 32 -10.330 13.673 -0.149 305 H GLN 33 HN GLN 33 -7.027 9.813 -1.287 306 HA GLN 33 HA GLN 33 -9.793 9.213 -1.344 307 HB2 GLN 33 HB2 GLN 33 -7.554 9.166 -3.301 308 HB3 GLN 33 HB1 GLN 33 -8.992 8.237 -3.701 309 HG2 GLN 33 HG2 GLN 33 -9.070 11.141 -2.935 310 HG3 GLN 33 HG1 GLN 33 -8.909 10.579 -4.598 311 HE21 GLN 33 HE21 GLN 33 -10.634 9.407 -5.534 312 HE22 GLN 33 HE22 GLN 33 -12.245 9.559 -4.927 313 H LEU 34 HN LEU 34 -6.885 7.213 -1.398 314 HA LEU 34 HA LEU 34 -8.192 4.743 -1.815 315 HG LEU 34 HG LEU 34 -6.131 4.781 -3.354 316 HB2 LEU 34 HB2 LEU 34 -5.502 5.658 -1.076 317 HB3 LEU 34 HB1 LEU 34 -5.925 4.085 -0.426 318 HD11 LEU 34 HD11 LEU 34 -4.040 3.728 -3.708 319 HD12 LEU 34 HD12 LEU 34 -3.944 3.198 -2.029 320 HD13 LEU 34 HD13 LEU 34 -3.796 4.910 -2.423 321 HD21 LEU 34 HD21 LEU 34 -6.546 2.527 -3.730 322 HD22 LEU 34 HD22 LEU 34 -7.482 2.866 -2.273 323 HD23 LEU 34 HD23 LEU 34 -5.924 2.049 -2.150 324 H SER 35 HN SER 35 -7.175 6.447 1.124 325 HA SER 35 HA SER 35 -7.861 4.447 2.963 326 HG SER 35 HG SER 35 -8.070 7.932 2.450 327 HB2 SER 35 HB2 SER 35 -8.244 6.642 4.455 328 HB3 SER 35 HB1 SER 35 -6.636 6.064 4.020 329 H SER 36 HN SER 36 -9.740 7.168 1.693 330 HA SER 36 HA SER 36 -12.072 6.588 3.212 331 HG SER 36 HG SER 36 -13.641 9.294 1.915 332 HB2 SER 36 HB2 SER 36 -11.259 8.742 1.795 333 HB3 SER 36 HB1 SER 36 -12.402 8.035 0.653 334 H GLU 37 HN GLU 37 -11.030 5.764 -0.062 335 HA GLU 37 HA GLU 37 -13.481 4.619 -0.890 336 HB2 GLU 37 HB2 GLU 37 -10.698 4.683 -1.906 337 HB3 GLU 37 HB1 GLU 37 -11.719 3.378 -2.494 338 HG2 GLU 37 HG2 GLU 37 -13.406 5.120 -3.132 339 HG3 GLU 37 HG1 GLU 37 -12.186 6.335 -2.753 340 H LEU 38 HN LEU 38 -10.483 3.113 0.327 341 HA LEU 38 HA LEU 38 -11.729 0.499 0.333 342 HG LEU 38 HG LEU 38 -9.271 1.825 -1.009 343 HB2 LEU 38 HB2 LEU 38 -9.051 1.284 1.471 344 HB3 LEU 38 HB1 LEU 38 -9.597 -0.332 1.066 345 HD11 LEU 38 HD11 LEU 38 -7.261 -0.137 0.056 346 HD12 LEU 38 HD12 LEU 38 -7.105 1.613 -0.107 347 HD13 LEU 38 HD13 LEU 38 -7.127 0.590 -1.544 348 HD21 LEU 38 HD21 LEU 38 -10.678 -0.292 -1.378 349 HD22 LEU 38 HD22 LEU 38 -9.134 -1.145 -1.388 350 HD23 LEU 38 HD23 LEU 38 -9.454 0.114 -2.580 351 H GLY 39 HN GLY 39 -11.104 3.060 2.592 352 HA2 GLY 39 HA2 GLY 39 -12.172 3.308 4.668 353 HA3 GLY 39 HA1 GLY 39 -12.597 1.602 4.628 354 H LEU 40 HN LEU 40 -9.375 2.885 4.085 355 HA LEU 40 HA LEU 40 -8.525 1.674 6.636 356 HG LEU 40 HG LEU 40 -8.690 -0.313 5.279 357 HB2 LEU 40 HB2 LEU 40 -7.178 1.658 3.945 358 HB3 LEU 40 HB1 LEU 40 -6.311 1.305 5.427 359 HD11 LEU 40 HD11 LEU 40 -6.822 -0.469 2.920 360 HD12 LEU 40 HD12 LEU 40 -8.544 -0.089 2.886 361 HD13 LEU 40 HD13 LEU 40 -8.006 -1.702 3.354 362 HD21 LEU 40 HD21 LEU 40 -7.027 -1.088 6.677 363 HD22 LEU 40 HD22 LEU 40 -5.741 -0.715 5.530 364 HD23 LEU 40 HD23 LEU 40 -6.798 -2.100 5.252 365 H ASN 41 HN ASN 41 -6.266 2.516 7.271 366 HA ASN 41 HA ASN 41 -6.460 5.395 7.414 367 HB2 ASN 41 HB2 ASN 41 -5.498 3.415 9.114 368 HB3 ASN 41 HB1 ASN 41 -4.043 4.241 8.562 369 HD21 ASN 41 HD21 ASN 41 -7.328 5.369 9.274 370 HD22 ASN 41 HD22 ASN 41 -6.852 6.560 10.432 371 H GLU 42 HN GLU 42 -5.069 6.878 6.547 372 HA GLU 42 HA GLU 42 -3.865 6.392 4.111 373 HB2 GLU 42 HB2 GLU 42 -3.379 8.546 6.161 374 HB3 GLU 42 HB1 GLU 42 -2.566 8.539 4.601 375 HG2 GLU 42 HG2 GLU 42 -4.423 9.142 3.472 376 HG3 GLU 42 HG1 GLU 42 -5.501 8.253 4.547 377 H ALA 43 HN ALA 43 -2.449 6.277 7.339 378 HA ALA 43 HA ALA 43 0.238 5.955 6.543 379 HB1 ALA 43 HB1 ALA 43 -1.005 4.889 9.071 380 HB2 ALA 43 HB2 ALA 43 -0.554 6.578 8.836 381 HB3 ALA 43 HB3 ALA 43 0.683 5.322 8.799 382 H GLN 44 HN GLN 44 -2.407 3.688 6.974 383 HA GLN 44 HA GLN 44 -0.823 1.329 6.867 384 HB2 GLN 44 HB2 GLN 44 -3.731 1.584 6.090 385 HB3 GLN 44 HB1 GLN 44 -2.895 0.138 6.639 386 HG2 GLN 44 HG2 GLN 44 -2.659 2.233 8.591 387 HG3 GLN 44 HG1 GLN 44 -4.350 1.956 8.176 388 HE21 GLN 44 HE21 GLN 44 -4.398 1.273 10.459 389 HE22 GLN 44 HE22 GLN 44 -4.015 -0.372 10.826 390 H ILE 45 HN ILE 45 -2.574 3.226 4.453 391 HA ILE 45 HA ILE 45 -2.097 1.457 2.284 392 HB ILE 45 HB ILE 45 -2.548 4.439 2.122 393 HG12 ILE 45 HG12 ILE 45 -4.827 2.629 1.688 394 HG13 ILE 45 HG11 ILE 45 -4.237 2.669 3.347 395 HG21 ILE 45 HG21 ILE 45 -3.424 3.966 -0.091 396 HG22 ILE 45 HG22 ILE 45 -3.130 2.242 0.141 397 HG23 ILE 45 HG23 ILE 45 -1.772 3.364 0.053 398 HD11 ILE 45 HD11 ILE 45 -5.979 4.456 2.129 399 HD12 ILE 45 HD12 ILE 45 -4.455 5.329 2.280 400 HD13 ILE 45 HD13 ILE 45 -5.212 4.620 3.708 401 H LYS 46 HN LYS 46 -0.410 4.308 3.526 402 HA LYS 46 HA LYS 46 1.517 4.560 1.518 403 HB2 LYS 46 HB2 LYS 46 0.929 5.933 3.787 404 HB3 LYS 46 HB1 LYS 46 2.413 5.127 4.275 405 HG2 LYS 46 HG2 LYS 46 3.019 6.107 1.772 406 HG3 LYS 46 HG1 LYS 46 2.015 7.372 2.480 407 HD2 LYS 46 HD2 LYS 46 3.498 7.763 4.211 408 HD3 LYS 46 HD1 LYS 46 4.225 6.160 4.086 409 HE2 LYS 46 HE2 LYS 46 5.755 6.864 2.618 410 HE3 LYS 46 HE1 LYS 46 4.551 7.721 1.656 411 HZ1 LYS 46 HZ1 LYS 46 5.057 9.053 4.123 412 HZ2 LYS 46 HZ2 LYS 46 5.169 9.644 2.542 413 HZ3 LYS 46 HZ3 LYS 46 6.486 8.847 3.240 414 H ILE 47 HN ILE 47 1.580 2.695 4.545 415 HA ILE 47 HA ILE 47 4.203 1.681 4.172 416 HB ILE 47 HB ILE 47 1.950 0.517 5.815 417 HG12 ILE 47 HG12 ILE 47 4.244 2.163 6.852 418 HG13 ILE 47 HG11 ILE 47 2.776 2.933 6.259 419 HG21 ILE 47 HG21 ILE 47 3.656 -0.672 7.037 420 HG22 ILE 47 HG22 ILE 47 4.920 0.064 6.053 421 HG23 ILE 47 HG23 ILE 47 3.783 -1.069 5.323 422 HD11 ILE 47 HD11 ILE 47 1.651 1.211 7.924 423 HD12 ILE 47 HD12 ILE 47 2.255 2.780 8.458 424 HD13 ILE 47 HD13 ILE 47 3.228 1.330 8.704 425 H TRP 48 HN TRP 48 0.995 0.500 3.299 426 HA TRP 48 HA TRP 48 1.742 -2.081 2.487 427 HD1 TRP 48 HD1 TRP 48 -0.947 -4.000 2.331 428 HE1 TRP 48 HE1 TRP 48 -1.499 -5.322 0.193 429 HE3 TRP 48 HE3 TRP 48 -0.072 -0.342 -1.139 430 HZ2 TRP 48 HZ2 TRP 48 -1.556 -4.877 -2.592 431 HZ3 TRP 48 HZ3 TRP 48 -0.397 -0.876 -3.518 432 HH2 TRP 48 HH2 TRP 48 -1.124 -3.096 -4.229 433 HB2 TRP 48 HB2 TRP 48 -0.599 -1.438 2.828 434 HB3 TRP 48 HB1 TRP 48 -0.509 -0.339 1.455 435 H PHE 49 HN PHE 49 1.538 0.968 0.697 436 HA PHE 49 HA PHE 49 2.199 -0.090 -1.829 437 HD1 PHE 49 HD1 PHE 49 -0.401 1.655 -1.183 438 HD2 PHE 49 HD2 PHE 49 2.533 2.585 -4.121 439 HE1 PHE 49 HE1 PHE 49 -2.164 1.792 -2.894 440 HE2 PHE 49 HE2 PHE 49 0.774 2.725 -5.834 441 HZ PHE 49 HZ PHE 49 -1.577 2.328 -5.223 442 HB2 PHE 49 HB2 PHE 49 1.919 2.563 -0.620 443 HB3 PHE 49 HB1 PHE 49 3.144 2.504 -1.883 444 H GLN 50 HN GLN 50 4.210 1.507 0.636 445 HA GLN 50 HA GLN 50 6.648 1.244 -0.748 446 HB2 GLN 50 HB2 GLN 50 5.794 1.949 1.979 447 HB3 GLN 50 HB1 GLN 50 7.405 1.251 1.876 448 HG2 GLN 50 HG2 GLN 50 7.775 3.532 1.699 449 HG3 GLN 50 HG1 GLN 50 7.825 2.970 0.029 450 HE21 GLN 50 HE21 GLN 50 5.597 3.011 -1.052 451 HE22 GLN 50 HE22 GLN 50 4.675 4.454 -0.816 452 H ASN 51 HN ASN 51 5.009 -0.840 1.589 453 HA ASN 51 HA ASN 51 7.104 -2.723 1.863 454 HB2 ASN 51 HB2 ASN 51 4.181 -2.697 2.484 455 HB3 ASN 51 HB1 ASN 51 5.035 -4.237 2.508 456 HD21 ASN 51 HD21 ASN 51 5.803 -0.929 3.540 457 HD22 ASN 51 HD22 ASN 51 6.276 -1.358 5.144 458 H LYS 52 HN LYS 52 4.435 -2.395 -0.389 459 HA LYS 52 HA LYS 52 4.650 -4.966 -1.556 460 HB2 LYS 52 HB2 LYS 52 3.098 -2.574 -1.961 461 HB3 LYS 52 HB1 LYS 52 3.662 -3.190 -3.507 462 HG2 LYS 52 HG2 LYS 52 2.786 -5.464 -2.268 463 HG3 LYS 52 HG1 LYS 52 1.645 -4.249 -1.689 464 HD2 LYS 52 HD2 LYS 52 0.596 -4.847 -3.625 465 HD3 LYS 52 HD1 LYS 52 1.640 -3.571 -4.253 466 HE2 LYS 52 HE2 LYS 52 2.852 -5.008 -5.474 467 HE3 LYS 52 HE1 LYS 52 2.905 -6.206 -4.182 468 HZ1 LYS 52 HZ1 LYS 52 0.407 -6.502 -4.866 469 HZ2 LYS 52 HZ2 LYS 52 1.641 -7.298 -5.707 470 HZ3 LYS 52 HZ3 LYS 52 0.957 -5.888 -6.344 471 H ARG 53 HN ARG 53 5.990 -1.802 -2.452 472 HA ARG 53 HA ARG 53 7.272 -2.663 -4.812 473 HE ARG 53 HE ARG 53 8.725 2.134 -4.704 474 HB2 ARG 53 HB2 ARG 53 6.835 -0.248 -3.727 475 HB3 ARG 53 HB1 ARG 53 8.508 -0.472 -3.236 476 HG2 ARG 53 HG2 ARG 53 8.258 -1.191 -5.982 477 HG3 ARG 53 HG1 ARG 53 7.512 0.388 -5.731 478 HD2 ARG 53 HD2 ARG 53 10.144 -0.094 -4.454 479 HD3 ARG 53 HD1 ARG 53 10.117 0.082 -6.208 480 HH11 ARG 53 HH11 ARG 53 11.683 1.171 -6.293 481 HH12 ARG 53 HH12 ARG 53 12.255 2.794 -6.481 482 HH21 ARG 53 HH21 ARG 53 9.481 4.266 -4.950 483 HH22 ARG 53 HH22 ARG 53 11.006 4.550 -5.718 484 H ALA 54 HN ALA 54 8.155 -2.824 -1.449 485 HA ALA 54 HA ALA 54 10.928 -3.285 -1.789 486 HB1 ALA 54 HB1 ALA 54 9.953 -2.589 0.346 487 HB2 ALA 54 HB2 ALA 54 10.890 -4.073 0.515 488 HB3 ALA 54 HB3 ALA 54 9.128 -4.143 0.475 489 H LYS 55 HN LYS 55 8.125 -5.313 -2.072 490 HA LYS 55 HA LYS 55 9.516 -7.804 -1.836 491 HB2 LYS 55 HB2 LYS 55 6.767 -6.916 -2.406 492 HB3 LYS 55 HB1 LYS 55 7.229 -8.417 -3.198 493 HG2 LYS 55 HG2 LYS 55 7.387 -9.566 -1.243 494 HG3 LYS 55 HG1 LYS 55 7.851 -8.141 -0.312 495 HD2 LYS 55 HD2 LYS 55 5.185 -7.846 -1.375 496 HD3 LYS 55 HD1 LYS 55 5.326 -9.337 -0.443 497 HE2 LYS 55 HE2 LYS 55 6.536 -7.777 1.282 498 HE3 LYS 55 HE1 LYS 55 5.656 -6.505 0.436 499 HZ1 LYS 55 HZ1 LYS 55 3.818 -7.055 1.517 500 HZ2 LYS 55 HZ2 LYS 55 4.703 -8.170 2.431 501 HZ3 LYS 55 HZ3 LYS 55 3.926 -8.667 1.013 502 H ILE 56 HN ILE 56 7.993 -6.157 -4.614 503 HA ILE 56 HA ILE 56 9.171 -7.889 -6.536 504 HB ILE 56 HB ILE 56 8.084 -5.117 -7.025 505 HG12 ILE 56 HG12 ILE 56 6.151 -6.999 -7.754 506 HG13 ILE 56 HG11 ILE 56 6.741 -7.555 -6.191 507 HG21 ILE 56 HG21 ILE 56 9.405 -6.761 -8.745 508 HG22 ILE 56 HG22 ILE 56 8.228 -5.538 -9.223 509 HG23 ILE 56 HG23 ILE 56 7.727 -7.218 -9.034 510 HD11 ILE 56 HD11 ILE 56 4.813 -5.643 -6.630 511 HD12 ILE 56 HD12 ILE 56 6.248 -4.701 -6.226 512 HD13 ILE 56 HD13 ILE 56 5.665 -5.942 -5.116 513 H LYS 57 HN LYS 57 9.800 -4.457 -5.777 514 HA LYS 57 HA LYS 57 12.204 -4.424 -7.340 515 HB2 LYS 57 HB2 LYS 57 10.496 -2.491 -6.497 516 HB3 LYS 57 HB1 LYS 57 11.798 -2.298 -5.331 517 HG2 LYS 57 HG2 LYS 57 12.339 -0.829 -7.053 518 HG3 LYS 57 HG1 LYS 57 13.359 -2.238 -7.351 519 HD2 LYS 57 HD2 LYS 57 12.547 -1.950 -9.457 520 HD3 LYS 57 HD1 LYS 57 11.252 -2.959 -8.810 521 HE2 LYS 57 HE2 LYS 57 10.094 -1.220 -9.815 522 HE3 LYS 57 HE1 LYS 57 10.163 -0.720 -8.126 523 HZ1 LYS 57 HZ1 LYS 57 11.064 1.160 -8.839 524 HZ2 LYS 57 HZ2 LYS 57 11.216 0.577 -10.420 525 HZ3 LYS 57 HZ3 LYS 57 12.444 0.292 -9.292 526 H LYS 58 HN LYS 58 13.205 -6.284 -6.249 527 HA LYS 58 HA LYS 58 14.105 -5.985 -3.538 528 HB2 LYS 58 HB2 LYS 58 15.386 -8.061 -3.996 529 HB3 LYS 58 HB1 LYS 58 13.676 -8.207 -4.380 530 HG2 LYS 58 HG2 LYS 58 14.802 -7.371 -6.757 531 HG3 LYS 58 HG1 LYS 58 15.998 -8.486 -6.093 532 HD2 LYS 58 HD2 LYS 58 13.591 -9.773 -5.651 533 HD3 LYS 58 HD1 LYS 58 13.377 -9.024 -7.235 534 HE2 LYS 58 HE2 LYS 58 14.315 -11.058 -7.793 535 HE3 LYS 58 HE1 LYS 58 15.731 -10.010 -7.726 536 HZ1 LYS 58 HZ1 LYS 58 15.275 -11.059 -5.165 537 HZ2 LYS 58 HZ2 LYS 58 16.592 -11.328 -6.190 538 HZ3 LYS 58 HZ3 LYS 58 15.242 -12.342 -6.268 539 H SER 59 HN SER 59 15.532 -4.408 -3.136 540 HA SER 59 HA SER 59 18.161 -4.582 -4.275 541 HG SER 59 HG SER 59 15.712 -2.487 -6.187 542 HB2 SER 59 HB2 SER 59 17.866 -1.933 -4.765 543 HB3 SER 59 HB1 SER 59 17.675 -3.179 -5.999 Start of MODEL 3 1 HA MET -1 HA MET -1 -5.335 -8.542 14.136 2 H1 MET -1 HT1 MET -1 -6.937 -10.988 14.153 3 H2 MET -1 HT2 MET -1 -5.383 -10.940 13.429 4 H3 MET -1 HT3 MET -1 -6.625 -9.897 12.870 5 HB2 MET -1 HB2 MET -1 -7.919 -9.174 14.881 6 HB3 MET -1 HB1 MET -1 -7.048 -9.242 16.406 7 HG2 MET -1 HG2 MET -1 -6.098 -6.927 15.358 8 HG3 MET -1 HG1 MET -1 -7.745 -6.946 14.730 9 HE1 MET -1 HE1 MET -1 -9.358 -5.066 17.417 10 HE2 MET -1 HE2 MET -1 -9.315 -5.635 15.748 11 HE3 MET -1 HE3 MET -1 -8.074 -4.528 16.334 12 H ASP 0 HN ASP 0 -5.591 -11.749 15.485 13 HA ASP 0 HA ASP 0 -3.031 -11.409 16.798 14 HB2 ASP 0 HB2 ASP 0 -5.018 -10.794 18.400 15 HB3 ASP 0 HB1 ASP 0 -5.223 -12.541 18.500 16 H GLU 1 HN GLU 1 -3.637 -12.910 14.579 17 HA GLU 1 HA GLU 1 -3.595 -15.672 15.611 18 HB2 GLU 1 HB2 GLU 1 -4.339 -16.319 13.293 19 HB3 GLU 1 HB1 GLU 1 -5.523 -15.424 14.235 20 HG2 GLU 1 HG2 GLU 1 -4.831 -13.362 13.045 21 HG3 GLU 1 HG1 GLU 1 -3.778 -14.349 12.034 22 H LYS 2 HN LYS 2 -2.172 -13.399 13.322 23 HA LYS 2 HA LYS 2 0.286 -14.970 13.354 24 HB2 LYS 2 HB2 LYS 2 -1.351 -15.387 11.281 25 HB3 LYS 2 HB1 LYS 2 -0.543 -13.941 10.691 26 HG2 LYS 2 HG2 LYS 2 1.613 -15.296 11.404 27 HG3 LYS 2 HG1 LYS 2 0.530 -16.665 11.147 28 HD2 LYS 2 HD2 LYS 2 0.708 -16.470 8.936 29 HD3 LYS 2 HD1 LYS 2 0.281 -14.759 9.000 30 HE2 LYS 2 HE2 LYS 2 2.495 -14.083 9.171 31 HE3 LYS 2 HE1 LYS 2 3.033 -15.657 9.754 32 HZ1 LYS 2 HZ1 LYS 2 3.684 -15.164 7.433 33 HZ2 LYS 2 HZ2 LYS 2 2.050 -15.159 6.999 34 HZ3 LYS 2 HZ3 LYS 2 2.763 -16.576 7.584 35 H ARG 3 HN ARG 3 -1.251 -12.073 11.959 36 HA ARG 3 HA ARG 3 1.223 -10.586 12.553 37 HE ARG 3 HE ARG 3 2.226 -8.453 10.266 38 HB2 ARG 3 HB2 ARG 3 -0.907 -10.027 10.481 39 HB3 ARG 3 HB1 ARG 3 0.478 -8.994 10.802 40 HG2 ARG 3 HG2 ARG 3 0.785 -11.868 9.997 41 HG3 ARG 3 HG1 ARG 3 0.635 -10.566 8.816 42 HD2 ARG 3 HD2 ARG 3 2.753 -10.800 10.950 43 HD3 ARG 3 HD1 ARG 3 2.972 -11.110 9.231 44 HH11 ARG 3 HH11 ARG 3 4.243 -10.481 8.251 45 HH12 ARG 3 HH12 ARG 3 5.063 -9.143 7.524 46 HH21 ARG 3 HH21 ARG 3 3.307 -6.706 9.306 47 HH22 ARG 3 HH22 ARG 3 4.534 -7.004 8.121 48 HA PRO 4 HA PRO 4 -1.736 -9.068 15.762 49 HB2 PRO 4 HB2 PRO 4 0.867 -7.824 16.527 50 HB3 PRO 4 HB1 PRO 4 -0.348 -8.607 17.544 51 HG2 PRO 4 HG2 PRO 4 1.909 -9.869 16.916 52 HG3 PRO 4 HG1 PRO 4 0.367 -10.741 16.986 53 HD2 PRO 4 HD2 PRO 4 1.942 -9.862 14.614 54 HD3 PRO 4 HD1 PRO 4 0.932 -11.305 14.829 55 H ARG 5 HN ARG 5 0.545 -7.432 13.671 56 HA ARG 5 HA ARG 5 -0.058 -4.774 14.204 57 HE ARG 5 HE ARG 5 -0.660 -1.951 12.419 58 HB2 ARG 5 HB2 ARG 5 1.778 -5.563 12.727 59 HB3 ARG 5 HB1 ARG 5 0.586 -5.970 11.502 60 HG2 ARG 5 HG2 ARG 5 1.681 -3.835 11.046 61 HG3 ARG 5 HG1 ARG 5 -0.054 -3.642 11.307 62 HD2 ARG 5 HD2 ARG 5 1.389 -3.412 13.793 63 HD3 ARG 5 HD1 ARG 5 2.023 -2.283 12.596 64 HH11 ARG 5 HH11 ARG 5 1.604 -1.863 15.074 65 HH12 ARG 5 HH12 ARG 5 0.682 -0.715 15.985 66 HH21 ARG 5 HH21 ARG 5 -1.873 -0.441 13.617 67 HH22 ARG 5 HH22 ARG 5 -1.292 0.092 15.159 68 H THR 6 HN THR 6 -1.269 -6.445 11.299 69 HA THR 6 HA THR 6 -3.986 -6.112 11.723 70 HB THR 6 HB THR 6 -3.653 -3.724 11.769 71 HG1 THR 6 HG1 THR 6 -5.417 -4.670 10.460 72 HG21 THR 6 HG21 THR 6 -1.770 -4.232 9.635 73 HG22 THR 6 HG22 THR 6 -1.930 -2.834 10.698 74 HG23 THR 6 HG23 THR 6 -2.906 -2.945 9.234 75 H ALA 7 HN ALA 7 -5.250 -6.735 9.926 76 HA ALA 7 HA ALA 7 -3.697 -7.661 7.598 77 HB1 ALA 7 HB1 ALA 7 -6.128 -9.172 8.326 78 HB2 ALA 7 HB2 ALA 7 -4.741 -9.350 9.400 79 HB3 ALA 7 HB3 ALA 7 -4.585 -9.739 7.687 80 H PHE 8 HN PHE 8 -4.471 -7.140 5.638 81 HA PHE 8 HA PHE 8 -6.747 -5.374 5.491 82 HD1 PHE 8 HD2 PHE 8 -3.133 -5.692 5.199 83 HD2 PHE 8 HD1 PHE 8 -5.786 -2.999 3.245 84 HE1 PHE 8 HE2 PHE 8 -1.672 -3.811 5.815 85 HE2 PHE 8 HE1 PHE 8 -4.328 -1.114 3.856 86 HZ PHE 8 HZ PHE 8 -2.269 -1.518 5.144 87 HB2 PHE 8 HB2 PHE 8 -4.829 -6.403 3.393 88 HB3 PHE 8 HB1 PHE 8 -6.139 -5.277 3.049 89 H SER 9 HN SER 9 -8.030 -5.809 3.228 90 HA SER 9 HA SER 9 -9.160 -8.516 3.520 91 HG SER 9 HG SER 9 -11.252 -6.419 1.412 92 HB2 SER 9 HB2 SER 9 -11.307 -7.670 3.152 93 HB3 SER 9 HB1 SER 9 -10.564 -6.396 4.118 94 H SER 10 HN SER 10 -9.924 -9.563 1.597 95 HA SER 10 HA SER 10 -8.194 -9.484 -0.563 96 HG SER 10 HG SER 10 -10.729 -10.123 -2.487 97 HB2 SER 10 HB2 SER 10 -9.500 -11.437 -0.299 98 HB3 SER 10 HB1 SER 10 -11.010 -10.524 -0.302 99 H GLU 11 HN GLU 11 -11.240 -7.787 -0.066 100 HA GLU 11 HA GLU 11 -11.536 -6.753 -2.667 101 HB2 GLU 11 HB2 GLU 11 -12.640 -6.148 0.013 102 HB3 GLU 11 HB1 GLU 11 -12.696 -4.832 -1.152 103 HG2 GLU 11 HG2 GLU 11 -14.091 -6.003 -2.596 104 HG3 GLU 11 HG1 GLU 11 -13.701 -7.558 -1.862 105 H GLN 12 HN GLN 12 -10.035 -5.377 0.248 106 HA GLN 12 HA GLN 12 -9.169 -2.983 -1.007 107 HB2 GLN 12 HB2 GLN 12 -7.960 -4.341 1.411 108 HB3 GLN 12 HB1 GLN 12 -7.809 -2.645 0.971 109 HG2 GLN 12 HG2 GLN 12 -9.951 -2.141 1.631 110 HG3 GLN 12 HG1 GLN 12 -10.518 -3.796 1.428 111 HE21 GLN 12 HE21 GLN 12 -11.216 -2.523 3.671 112 HE22 GLN 12 HE22 GLN 12 -10.341 -3.131 5.030 113 H LEU 13 HN LEU 13 -7.858 -6.192 -0.696 114 HA LEU 13 HA LEU 13 -5.191 -5.679 -1.423 115 HG LEU 13 HG LEU 13 -5.389 -9.028 0.066 116 HB2 LEU 13 HB2 LEU 13 -6.978 -8.038 -1.303 117 HB3 LEU 13 HB1 LEU 13 -5.584 -8.184 -2.354 118 HD11 LEU 13 HD11 LEU 13 -3.469 -8.973 -1.292 119 HD12 LEU 13 HD12 LEU 13 -3.028 -8.151 0.205 120 HD13 LEU 13 HD13 LEU 13 -3.389 -7.212 -1.243 121 HD21 LEU 13 HD21 LEU 13 -5.490 -7.613 1.781 122 HD22 LEU 13 HD22 LEU 13 -6.156 -6.430 0.658 123 HD23 LEU 13 HD23 LEU 13 -4.425 -6.455 0.985 124 H ALA 14 HN ALA 14 -7.995 -6.699 -3.355 125 HA ALA 14 HA ALA 14 -6.685 -6.728 -5.843 126 HB1 ALA 14 HB1 ALA 14 -9.226 -7.332 -4.921 127 HB2 ALA 14 HB2 ALA 14 -8.658 -7.452 -6.587 128 HB3 ALA 14 HB3 ALA 14 -9.484 -5.993 -6.040 129 H ARG 15 HN ARG 15 -8.507 -4.193 -4.167 130 HA ARG 15 HA ARG 15 -8.420 -2.277 -6.225 131 HE ARG 15 HE ARG 15 -12.157 0.053 -4.817 132 HB2 ARG 15 HB2 ARG 15 -9.647 -2.387 -3.831 133 HB3 ARG 15 HB1 ARG 15 -8.308 -1.325 -3.417 134 HG2 ARG 15 HG2 ARG 15 -10.207 -0.002 -4.043 135 HG3 ARG 15 HG1 ARG 15 -8.956 0.163 -5.278 136 HD2 ARG 15 HD2 ARG 15 -10.390 -0.511 -6.833 137 HD3 ARG 15 HD1 ARG 15 -10.614 -2.038 -5.980 138 HH11 ARG 15 HH11 ARG 15 -12.066 -2.185 -7.493 139 HH12 ARG 15 HH12 ARG 15 -13.786 -2.211 -7.692 140 HH21 ARG 15 HH21 ARG 15 -14.420 0.020 -5.078 141 HH22 ARG 15 HH22 ARG 15 -15.122 -0.959 -6.321 142 H LEU 16 HN LEU 16 -6.298 -2.812 -3.431 143 HA LEU 16 HA LEU 16 -4.516 -0.697 -3.981 144 HG LEU 16 HG LEU 16 -5.609 -1.181 -1.583 145 HB2 LEU 16 HB2 LEU 16 -4.216 -3.254 -2.419 146 HB3 LEU 16 HB1 LEU 16 -2.926 -2.073 -2.543 147 HD11 LEU 16 HD11 LEU 16 -5.167 -3.176 -0.271 148 HD12 LEU 16 HD12 LEU 16 -4.963 -1.729 0.716 149 HD13 LEU 16 HD13 LEU 16 -3.548 -2.588 0.108 150 HD21 LEU 16 HD21 LEU 16 -2.798 -0.373 -0.849 151 HD22 LEU 16 HD22 LEU 16 -4.290 0.429 -0.358 152 HD23 LEU 16 HD23 LEU 16 -3.802 0.435 -2.053 153 H LYS 17 HN LYS 17 -4.511 -4.116 -4.896 154 HA LYS 17 HA LYS 17 -1.988 -4.144 -6.145 155 HB2 LYS 17 HB2 LYS 17 -4.258 -5.924 -5.894 156 HB3 LYS 17 HB1 LYS 17 -3.595 -5.985 -7.520 157 HG2 LYS 17 HG2 LYS 17 -1.368 -6.438 -6.561 158 HG3 LYS 17 HG1 LYS 17 -2.097 -6.469 -4.954 159 HD2 LYS 17 HD2 LYS 17 -3.703 -8.223 -6.131 160 HD3 LYS 17 HD1 LYS 17 -2.298 -8.433 -7.176 161 HE2 LYS 17 HE2 LYS 17 -1.623 -8.374 -4.341 162 HE3 LYS 17 HE1 LYS 17 -2.724 -9.684 -4.762 163 HZ1 LYS 17 HZ1 LYS 17 -1.173 -10.405 -6.459 164 HZ2 LYS 17 HZ2 LYS 17 -0.408 -10.358 -4.952 165 HZ3 LYS 17 HZ3 LYS 17 -0.121 -9.134 -6.083 166 H ARG 18 HN ARG 18 -5.226 -3.425 -7.350 167 HA ARG 18 HA ARG 18 -4.586 -3.221 -10.076 168 HE ARG 18 HE ARG 18 -6.524 -4.573 -10.717 169 HB2 ARG 18 HB2 ARG 18 -6.896 -3.314 -9.023 170 HB3 ARG 18 HB1 ARG 18 -6.704 -1.605 -8.659 171 HG2 ARG 18 HG2 ARG 18 -7.416 -1.083 -10.684 172 HG3 ARG 18 HG1 ARG 18 -6.079 -1.985 -11.399 173 HD2 ARG 18 HD2 ARG 18 -8.778 -3.079 -10.616 174 HD3 ARG 18 HD1 ARG 18 -8.187 -2.812 -12.255 175 HH11 ARG 18 HH11 ARG 18 -9.362 -4.378 -12.738 176 HH12 ARG 18 HH12 ARG 18 -9.286 -6.039 -13.220 177 HH21 ARG 18 HH21 ARG 18 -6.421 -6.758 -11.352 178 HH22 ARG 18 HH22 ARG 18 -7.618 -7.391 -12.434 179 H GLU 19 HN GLU 19 -4.669 -0.780 -7.505 180 HA GLU 19 HA GLU 19 -3.941 1.396 -9.175 181 HB2 GLU 19 HB2 GLU 19 -4.219 0.917 -6.267 182 HB3 GLU 19 HB1 GLU 19 -3.141 2.226 -6.730 183 HG2 GLU 19 HG2 GLU 19 -5.979 1.976 -7.689 184 HG3 GLU 19 HG1 GLU 19 -5.493 2.907 -6.274 185 H PHE 20 HN PHE 20 -2.112 -0.878 -7.203 186 HA PHE 20 HA PHE 20 0.391 0.396 -7.374 187 HD1 PHE 20 HD2 PHE 20 1.856 -0.402 -4.950 188 HD2 PHE 20 HD1 PHE 20 1.943 -3.283 -8.081 189 HE1 PHE 20 HE2 PHE 20 4.277 -0.692 -4.611 190 HE2 PHE 20 HE1 PHE 20 4.363 -3.578 -7.747 191 HZ PHE 20 HZ PHE 20 5.532 -2.280 -6.012 192 HB2 PHE 20 HB2 PHE 20 -0.186 -1.441 -5.782 193 HB3 PHE 20 HB1 PHE 20 -0.137 -2.572 -7.130 194 H ASN 21 HN ASN 21 -1.238 -1.906 -9.486 195 HA ASN 21 HA ASN 21 0.936 -2.496 -11.167 196 HB2 ASN 21 HB2 ASN 21 -1.445 -3.574 -10.999 197 HB3 ASN 21 HB1 ASN 21 -1.869 -2.376 -12.219 198 HD21 ASN 21 HD21 ASN 21 0.483 -4.915 -11.502 199 HD22 ASN 21 HD22 ASN 21 0.698 -5.422 -13.140 200 H GLU 22 HN GLU 22 -1.210 0.238 -11.006 201 HA GLU 22 HA GLU 22 -0.455 1.255 -13.604 202 HB2 GLU 22 HB2 GLU 22 -1.934 2.692 -11.396 203 HB3 GLU 22 HB1 GLU 22 -1.891 3.123 -13.100 204 HG2 GLU 22 HG2 GLU 22 -2.961 0.833 -13.509 205 HG3 GLU 22 HG1 GLU 22 -3.303 0.838 -11.780 206 H ASN 23 HN ASN 23 0.320 1.863 -10.227 207 HA ASN 23 HA ASN 23 2.799 3.123 -10.989 208 HB2 ASN 23 HB2 ASN 23 0.812 4.884 -10.855 209 HB3 ASN 23 HB1 ASN 23 1.156 4.784 -9.131 210 HD21 ASN 23 HD21 ASN 23 2.698 6.040 -8.362 211 HD22 ASN 23 HD22 ASN 23 3.907 6.847 -9.297 212 H ARG 24 HN ARG 24 4.301 2.420 -9.635 213 HA ARG 24 HA ARG 24 3.616 0.936 -7.299 214 HE ARG 24 HE ARG 24 7.125 -1.201 -11.111 215 HB2 ARG 24 HB2 ARG 24 6.255 1.812 -8.460 216 HB3 ARG 24 HB1 ARG 24 6.129 0.839 -7.001 217 HG2 ARG 24 HG2 ARG 24 4.985 -0.911 -8.255 218 HG3 ARG 24 HG1 ARG 24 5.086 0.068 -9.718 219 HD2 ARG 24 HD2 ARG 24 7.662 -0.282 -8.407 220 HD3 ARG 24 HD1 ARG 24 6.924 -1.808 -8.882 221 HH11 ARG 24 HH11 ARG 24 8.111 1.436 -9.041 222 HH12 ARG 24 HH12 ARG 24 8.858 2.323 -10.325 223 HH21 ARG 24 HH21 ARG 24 8.107 -0.031 -12.793 224 HH22 ARG 24 HH22 ARG 24 8.856 1.494 -12.453 225 H TYR 25 HN TYR 25 3.777 4.219 -7.735 226 HA TYR 25 HA TYR 25 4.711 4.697 -4.990 227 HD1 TYR 25 HD2 TYR 25 5.420 5.516 -9.000 228 HD2 TYR 25 HD1 TYR 25 7.440 6.093 -5.301 229 HE1 TYR 25 HE2 TYR 25 7.537 4.847 -10.058 230 HE2 TYR 25 HE1 TYR 25 9.563 5.426 -6.348 231 HH TYR 25 HH TYR 25 10.270 5.486 -9.272 232 HB2 TYR 25 HB2 TYR 25 4.376 6.756 -7.175 233 HB3 TYR 25 HB1 TYR 25 5.202 6.956 -5.633 234 H LEU 26 HN LEU 26 3.592 7.056 -4.371 235 HA LEU 26 HA LEU 26 0.725 6.890 -4.864 236 HG LEU 26 HG LEU 26 0.703 4.457 -3.144 237 HB2 LEU 26 HB2 LEU 26 2.049 6.205 -2.321 238 HB3 LEU 26 HB1 LEU 26 0.692 7.301 -2.174 239 HD11 LEU 26 HD11 LEU 26 -0.557 4.020 -1.302 240 HD12 LEU 26 HD12 LEU 26 -1.317 5.613 -1.309 241 HD13 LEU 26 HD13 LEU 26 0.325 5.420 -0.691 242 HD21 LEU 26 HD21 LEU 26 -1.049 6.634 -4.015 243 HD22 LEU 26 HD22 LEU 26 -1.904 5.243 -3.346 244 HD23 LEU 26 HD23 LEU 26 -0.797 5.029 -4.705 245 H THR 27 HN THR 27 -0.377 8.683 -3.472 246 HA THR 27 HA THR 27 1.265 11.063 -3.157 247 HB THR 27 HB THR 27 0.066 12.425 -4.665 248 HG1 THR 27 HG1 THR 27 -1.730 10.468 -5.490 249 HG21 THR 27 HG21 THR 27 0.538 11.594 -6.743 250 HG22 THR 27 HG22 THR 27 0.023 9.959 -6.329 251 HG23 THR 27 HG23 THR 27 1.562 10.578 -5.730 252 H GLU 28 HN GLU 28 -0.018 12.842 -2.120 253 HA GLU 28 HA GLU 28 -1.396 11.914 0.116 254 HB2 GLU 28 HB2 GLU 28 -0.467 14.376 -0.777 255 HB3 GLU 28 HB1 GLU 28 -2.206 14.607 -0.659 256 HG2 GLU 28 HG2 GLU 28 -1.866 15.036 1.489 257 HG3 GLU 28 HG1 GLU 28 -1.584 13.306 1.684 258 H ARG 29 HN ARG 29 -2.657 13.314 -2.887 259 HA ARG 29 HA ARG 29 -5.377 13.199 -2.263 260 HE ARG 29 HE ARG 29 -7.071 13.362 -6.829 261 HB2 ARG 29 HB2 ARG 29 -3.759 13.738 -4.564 262 HB3 ARG 29 HB1 ARG 29 -5.088 12.687 -5.034 263 HG2 ARG 29 HG2 ARG 29 -5.826 14.963 -3.325 264 HG3 ARG 29 HG1 ARG 29 -5.237 15.376 -4.936 265 HD2 ARG 29 HD2 ARG 29 -7.314 13.252 -4.568 266 HD3 ARG 29 HD1 ARG 29 -7.769 14.955 -4.577 267 HH11 ARG 29 HH11 ARG 29 -6.874 16.604 -5.551 268 HH12 ARG 29 HH12 ARG 29 -6.810 17.349 -7.113 269 HH21 ARG 29 HH21 ARG 29 -6.988 14.341 -8.883 270 HH22 ARG 29 HH22 ARG 29 -6.875 16.065 -9.005 271 H ARG 30 HN ARG 30 -3.231 10.777 -3.686 272 HA ARG 30 HA ARG 30 -5.269 8.887 -4.264 273 HE ARG 30 HE ARG 30 -6.022 6.372 -5.093 274 HB2 ARG 30 HB2 ARG 30 -2.354 9.007 -4.396 275 HB3 ARG 30 HB1 ARG 30 -2.952 7.413 -3.962 276 HG2 ARG 30 HG2 ARG 30 -4.177 8.835 -6.273 277 HG3 ARG 30 HG1 ARG 30 -2.597 8.072 -6.463 278 HD2 ARG 30 HD2 ARG 30 -3.987 6.346 -7.066 279 HD3 ARG 30 HD1 ARG 30 -3.788 6.028 -5.343 280 HH11 ARG 30 HH11 ARG 30 -5.000 7.984 -8.016 281 HH12 ARG 30 HH12 ARG 30 -6.602 8.466 -8.459 282 HH21 ARG 30 HH21 ARG 30 -8.131 7.005 -5.676 283 HH22 ARG 30 HH22 ARG 30 -8.380 7.910 -7.131 284 H ARG 31 HN ARG 31 -2.896 9.104 -1.619 285 HA ARG 31 HA ARG 31 -3.670 6.814 -0.245 286 HE ARG 31 HE ARG 31 -0.078 8.468 -0.263 287 HB2 ARG 31 HB2 ARG 31 -1.920 9.001 0.191 288 HB3 ARG 31 HB1 ARG 31 -2.916 8.849 1.632 289 HG2 ARG 31 HG2 ARG 31 -2.150 6.702 2.087 290 HG3 ARG 31 HG1 ARG 31 -1.566 6.459 0.439 291 HD2 ARG 31 HD2 ARG 31 -0.391 8.283 2.533 292 HD3 ARG 31 HD1 ARG 31 0.313 6.791 1.911 293 HH11 ARG 31 HH11 ARG 31 1.799 8.443 2.677 294 HH12 ARG 31 HH12 ARG 31 3.079 9.404 2.017 295 HH21 ARG 31 HH21 ARG 31 1.602 9.735 -1.134 296 HH22 ARG 31 HH22 ARG 31 2.967 10.139 -0.147 297 H GLN 32 HN GLN 32 -4.880 10.131 -0.025 298 HA GLN 32 HA GLN 32 -6.661 9.657 2.123 299 HB2 GLN 32 HB2 GLN 32 -7.550 11.826 1.675 300 HB3 GLN 32 HB1 GLN 32 -5.818 11.903 1.382 301 HG2 GLN 32 HG2 GLN 32 -6.085 12.048 -0.917 302 HG3 GLN 32 HG1 GLN 32 -7.730 11.421 -0.867 303 HE21 GLN 32 HE21 GLN 32 -9.330 12.795 0.255 304 HE22 GLN 32 HE22 GLN 32 -9.201 14.507 0.063 305 H GLN 33 HN GLN 33 -7.013 9.513 -1.385 306 HA GLN 33 HA GLN 33 -9.819 9.137 -1.406 307 HB2 GLN 33 HB2 GLN 33 -7.618 8.637 -3.381 308 HB3 GLN 33 HB1 GLN 33 -9.246 8.062 -3.715 309 HG2 GLN 33 HG2 GLN 33 -8.945 10.890 -2.894 310 HG3 GLN 33 HG1 GLN 33 -8.378 10.440 -4.502 311 HE21 GLN 33 HE21 GLN 33 -9.877 9.580 -5.996 312 HE22 GLN 33 HE22 GLN 33 -11.570 9.887 -5.835 313 H LEU 34 HN LEU 34 -7.123 6.828 -1.706 314 HA LEU 34 HA LEU 34 -8.706 4.511 -1.798 315 HG LEU 34 HG LEU 34 -6.912 4.822 -3.488 316 HB2 LEU 34 HB2 LEU 34 -5.859 4.992 -0.946 317 HB3 LEU 34 HB1 LEU 34 -6.569 3.389 -0.959 318 HD11 LEU 34 HD11 LEU 34 -4.336 4.034 -3.855 319 HD12 LEU 34 HD12 LEU 34 -4.270 4.709 -2.228 320 HD13 LEU 34 HD13 LEU 34 -4.852 5.696 -3.569 321 HD21 LEU 34 HD21 LEU 34 -6.288 2.115 -2.487 322 HD22 LEU 34 HD22 LEU 34 -5.652 2.530 -4.078 323 HD23 LEU 34 HD23 LEU 34 -7.385 2.629 -3.768 324 H SER 35 HN SER 35 -7.378 6.343 0.898 325 HA SER 35 HA SER 35 -7.906 4.504 2.948 326 HG SER 35 HG SER 35 -5.647 6.242 3.000 327 HB2 SER 35 HB2 SER 35 -7.476 7.460 2.821 328 HB3 SER 35 HB1 SER 35 -8.090 6.762 4.319 329 H SER 36 HN SER 36 -9.832 7.232 1.751 330 HA SER 36 HA SER 36 -12.039 6.745 3.468 331 HG SER 36 HG SER 36 -12.911 8.796 3.641 332 HB2 SER 36 HB2 SER 36 -11.305 8.852 1.965 333 HB3 SER 36 HB1 SER 36 -12.526 8.149 0.904 334 H GLU 37 HN GLU 37 -11.377 5.883 0.096 335 HA GLU 37 HA GLU 37 -13.912 4.775 -0.449 336 HB2 GLU 37 HB2 GLU 37 -11.349 4.990 -1.785 337 HB3 GLU 37 HB1 GLU 37 -12.100 3.431 -2.090 338 HG2 GLU 37 HG2 GLU 37 -14.189 4.713 -2.713 339 HG3 GLU 37 HG1 GLU 37 -13.186 6.163 -2.693 340 H LEU 38 HN LEU 38 -10.851 3.203 0.484 341 HA LEU 38 HA LEU 38 -12.167 0.633 0.679 342 HG LEU 38 HG LEU 38 -10.031 1.486 -1.138 343 HB2 LEU 38 HB2 LEU 38 -9.342 1.474 1.320 344 HB3 LEU 38 HB1 LEU 38 -9.928 -0.178 1.369 345 HD11 LEU 38 HD11 LEU 38 -7.931 -0.562 -0.848 346 HD12 LEU 38 HD12 LEU 38 -7.690 0.934 0.054 347 HD13 LEU 38 HD13 LEU 38 -7.905 0.984 -1.696 348 HD21 LEU 38 HD21 LEU 38 -9.753 -1.135 -1.834 349 HD22 LEU 38 HD22 LEU 38 -11.287 -0.272 -1.730 350 HD23 LEU 38 HD23 LEU 38 -10.732 -1.251 -0.373 351 H GLY 39 HN GLY 39 -11.542 3.265 2.771 352 HA2 GLY 39 HA2 GLY 39 -12.304 3.539 4.946 353 HA3 GLY 39 HA1 GLY 39 -12.756 1.842 4.972 354 H LEU 40 HN LEU 40 -9.544 2.886 4.085 355 HA LEU 40 HA LEU 40 -8.544 1.746 6.613 356 HG LEU 40 HG LEU 40 -8.882 -0.199 5.075 357 HB2 LEU 40 HB2 LEU 40 -7.382 1.732 3.837 358 HB3 LEU 40 HB1 LEU 40 -6.413 1.380 5.254 359 HD11 LEU 40 HD11 LEU 40 -6.930 -0.140 2.847 360 HD12 LEU 40 HD12 LEU 40 -8.655 -0.505 2.838 361 HD13 LEU 40 HD13 LEU 40 -7.501 -1.717 3.392 362 HD21 LEU 40 HD21 LEU 40 -7.256 -2.014 5.597 363 HD22 LEU 40 HD22 LEU 40 -7.250 -0.685 6.758 364 HD23 LEU 40 HD23 LEU 40 -5.970 -0.809 5.550 365 H ASN 41 HN ASN 41 -6.390 2.626 7.295 366 HA ASN 41 HA ASN 41 -6.534 5.509 7.297 367 HB2 ASN 41 HB2 ASN 41 -5.941 3.973 9.293 368 HB3 ASN 41 HB1 ASN 41 -4.336 3.900 8.573 369 HD21 ASN 41 HD21 ASN 41 -5.733 5.226 11.012 370 HD22 ASN 41 HD22 ASN 41 -5.040 6.808 11.026 371 H GLU 42 HN GLU 42 -5.080 6.937 6.444 372 HA GLU 42 HA GLU 42 -3.800 6.342 4.063 373 HB2 GLU 42 HB2 GLU 42 -3.200 8.551 6.039 374 HB3 GLU 42 HB1 GLU 42 -2.591 8.499 4.390 375 HG2 GLU 42 HG2 GLU 42 -4.581 9.078 3.485 376 HG3 GLU 42 HG1 GLU 42 -5.515 8.254 4.733 377 H ALA 43 HN ALA 43 -2.631 6.166 7.353 378 HA ALA 43 HA ALA 43 0.121 5.880 6.804 379 HB1 ALA 43 HB1 ALA 43 0.307 5.032 9.071 380 HB2 ALA 43 HB2 ALA 43 -1.439 4.796 9.147 381 HB3 ALA 43 HB3 ALA 43 -0.774 6.425 9.028 382 H GLN 44 HN GLN 44 -2.531 3.560 7.019 383 HA GLN 44 HA GLN 44 -0.910 1.232 6.871 384 HB2 GLN 44 HB2 GLN 44 -3.736 1.318 5.864 385 HB3 GLN 44 HB1 GLN 44 -2.898 0.011 6.685 386 HG2 GLN 44 HG2 GLN 44 -2.890 2.048 8.544 387 HG3 GLN 44 HG1 GLN 44 -4.468 2.190 7.769 388 HE21 GLN 44 HE21 GLN 44 -5.644 1.477 9.496 389 HE22 GLN 44 HE22 GLN 44 -5.594 -0.151 10.073 390 H ILE 45 HN ILE 45 -2.635 3.172 4.463 391 HA ILE 45 HA ILE 45 -2.060 1.512 2.251 392 HB ILE 45 HB ILE 45 -2.487 4.500 2.188 393 HG12 ILE 45 HG12 ILE 45 -4.486 2.228 2.193 394 HG13 ILE 45 HG11 ILE 45 -4.309 3.480 3.418 395 HG21 ILE 45 HG21 ILE 45 -1.631 3.193 0.137 396 HG22 ILE 45 HG22 ILE 45 -3.006 4.278 -0.068 397 HG23 ILE 45 HG23 ILE 45 -3.266 2.538 0.063 398 HD11 ILE 45 HD11 ILE 45 -6.024 4.411 2.315 399 HD12 ILE 45 HD12 ILE 45 -5.668 3.551 0.817 400 HD13 ILE 45 HD13 ILE 45 -4.755 4.999 1.242 401 H LYS 46 HN LYS 46 -0.384 4.320 3.629 402 HA LYS 46 HA LYS 46 1.615 4.574 1.687 403 HB2 LYS 46 HB2 LYS 46 1.058 6.138 3.649 404 HB3 LYS 46 HB1 LYS 46 2.080 5.084 4.619 405 HG2 LYS 46 HG2 LYS 46 3.090 6.306 2.078 406 HG3 LYS 46 HG1 LYS 46 3.112 7.200 3.599 407 HD2 LYS 46 HD2 LYS 46 4.159 4.588 4.064 408 HD3 LYS 46 HD1 LYS 46 4.969 5.275 2.655 409 HE2 LYS 46 HE2 LYS 46 6.189 5.842 4.666 410 HE3 LYS 46 HE1 LYS 46 5.482 7.296 3.962 411 HZ1 LYS 46 HZ1 LYS 46 4.180 7.615 5.737 412 HZ2 LYS 46 HZ2 LYS 46 5.260 6.591 6.540 413 HZ3 LYS 46 HZ3 LYS 46 3.815 5.972 5.916 414 H ILE 47 HN ILE 47 1.541 2.662 4.682 415 HA ILE 47 HA ILE 47 4.154 1.597 4.391 416 HB ILE 47 HB ILE 47 1.811 0.430 5.903 417 HG12 ILE 47 HG12 ILE 47 4.058 2.006 7.121 418 HG13 ILE 47 HG11 ILE 47 2.668 2.836 6.429 419 HG21 ILE 47 HG21 ILE 47 3.421 -0.826 7.160 420 HG22 ILE 47 HG22 ILE 47 4.758 -0.046 6.316 421 HG23 ILE 47 HG23 ILE 47 3.686 -1.143 5.446 422 HD11 ILE 47 HD11 ILE 47 2.896 1.910 9.003 423 HD12 ILE 47 HD12 ILE 47 1.901 0.684 8.216 424 HD13 ILE 47 HD13 ILE 47 1.400 2.375 8.193 425 H TRP 48 HN TRP 48 0.964 0.527 3.338 426 HA TRP 48 HA TRP 48 1.668 -2.064 2.519 427 HD1 TRP 48 HD1 TRP 48 -1.164 -3.860 2.228 428 HE1 TRP 48 HE1 TRP 48 -1.616 -5.166 0.057 429 HE3 TRP 48 HE3 TRP 48 0.216 -0.295 -1.171 430 HZ2 TRP 48 HZ2 TRP 48 -1.412 -4.744 -2.726 431 HZ3 TRP 48 HZ3 TRP 48 0.059 -0.829 -3.567 432 HH2 TRP 48 HH2 TRP 48 -0.738 -3.007 -4.328 433 HB2 TRP 48 HB2 TRP 48 -0.666 -1.344 2.758 434 HB3 TRP 48 HB1 TRP 48 -0.473 -0.243 1.397 435 H PHE 49 HN PHE 49 1.481 0.960 0.642 436 HA PHE 49 HA PHE 49 2.344 -0.171 -1.789 437 HD1 PHE 49 HD1 PHE 49 -0.407 1.709 -1.286 438 HD2 PHE 49 HD2 PHE 49 2.632 2.168 -4.228 439 HE1 PHE 49 HE1 PHE 49 -2.118 1.671 -3.054 440 HE2 PHE 49 HE2 PHE 49 0.926 2.132 -5.998 441 HZ PHE 49 HZ PHE 49 -1.451 1.883 -5.414 442 HB2 PHE 49 HB2 PHE 49 1.884 2.527 -0.727 443 HB3 PHE 49 HB1 PHE 49 3.150 2.455 -1.948 444 H GLN 50 HN GLN 50 4.096 1.386 0.857 445 HA GLN 50 HA GLN 50 6.633 1.397 -0.366 446 HB2 GLN 50 HB2 GLN 50 5.756 2.532 1.841 447 HB3 GLN 50 HB1 GLN 50 6.337 1.053 2.592 448 HG2 GLN 50 HG2 GLN 50 7.936 3.060 1.028 449 HG3 GLN 50 HG1 GLN 50 8.050 2.698 2.750 450 HE21 GLN 50 HE21 GLN 50 8.904 0.654 3.382 451 HE22 GLN 50 HE22 GLN 50 9.995 -0.197 2.347 452 H ASN 51 HN ASN 51 5.007 -0.976 1.699 453 HA ASN 51 HA ASN 51 7.217 -2.773 1.790 454 HB2 ASN 51 HB2 ASN 51 4.472 -2.698 2.789 455 HB3 ASN 51 HB1 ASN 51 4.968 -4.310 2.283 456 HD21 ASN 51 HD21 ASN 51 6.483 -1.563 3.951 457 HD22 ASN 51 HD22 ASN 51 7.115 -2.493 5.263 458 H LYS 52 HN LYS 52 4.434 -2.372 -0.304 459 HA LYS 52 HA LYS 52 4.643 -4.844 -1.664 460 HB2 LYS 52 HB2 LYS 52 2.792 -2.891 -1.650 461 HB3 LYS 52 HB1 LYS 52 3.622 -2.481 -3.144 462 HG2 LYS 52 HG2 LYS 52 1.900 -3.874 -3.831 463 HG3 LYS 52 HG1 LYS 52 3.299 -4.948 -3.768 464 HD2 LYS 52 HD2 LYS 52 2.596 -5.751 -1.572 465 HD3 LYS 52 HD1 LYS 52 1.213 -4.655 -1.606 466 HE2 LYS 52 HE2 LYS 52 0.192 -5.838 -3.373 467 HE3 LYS 52 HE1 LYS 52 1.669 -6.731 -3.730 468 HZ1 LYS 52 HZ1 LYS 52 0.588 -8.306 -2.549 469 HZ2 LYS 52 HZ2 LYS 52 -0.328 -7.196 -1.660 470 HZ3 LYS 52 HZ3 LYS 52 1.283 -7.495 -1.237 471 H ARG 53 HN ARG 53 6.031 -1.647 -2.235 472 HA ARG 53 HA ARG 53 7.166 -2.190 -4.754 473 HE ARG 53 HE ARG 53 7.902 2.948 -3.968 474 HB2 ARG 53 HB2 ARG 53 7.371 -0.096 -2.714 475 HB3 ARG 53 HB1 ARG 53 8.852 -0.328 -3.632 476 HG2 ARG 53 HG2 ARG 53 6.922 -0.319 -5.584 477 HG3 ARG 53 HG1 ARG 53 6.325 0.872 -4.428 478 HD2 ARG 53 HD2 ARG 53 9.080 0.835 -5.655 479 HD3 ARG 53 HD1 ARG 53 7.756 1.889 -6.142 480 HH11 ARG 53 HH11 ARG 53 10.609 0.919 -4.866 481 HH12 ARG 53 HH12 ARG 53 11.704 1.699 -3.779 482 HH21 ARG 53 HH21 ARG 53 9.349 3.962 -2.544 483 HH22 ARG 53 HH22 ARG 53 10.993 3.421 -2.462 484 H ALA 54 HN ALA 54 8.346 -2.677 -1.474 485 HA ALA 54 HA ALA 54 11.010 -3.340 -2.193 486 HB1 ALA 54 HB1 ALA 54 11.373 -3.713 0.037 487 HB2 ALA 54 HB2 ALA 54 9.776 -4.416 0.293 488 HB3 ALA 54 HB3 ALA 54 9.953 -2.671 0.113 489 H LYS 55 HN LYS 55 8.051 -5.190 -1.933 490 HA LYS 55 HA LYS 55 9.394 -7.737 -2.058 491 HB2 LYS 55 HB2 LYS 55 6.728 -6.792 -1.521 492 HB3 LYS 55 HB1 LYS 55 6.675 -8.078 -2.719 493 HG2 LYS 55 HG2 LYS 55 7.520 -9.652 -1.269 494 HG3 LYS 55 HG1 LYS 55 8.298 -8.443 -0.244 495 HD2 LYS 55 HD2 LYS 55 5.309 -8.738 -0.492 496 HD3 LYS 55 HD1 LYS 55 6.268 -9.553 0.746 497 HE2 LYS 55 HE2 LYS 55 7.117 -7.299 1.441 498 HE3 LYS 55 HE1 LYS 55 5.945 -6.586 0.335 499 HZ1 LYS 55 HZ1 LYS 55 5.549 -7.567 2.963 500 HZ2 LYS 55 HZ2 LYS 55 4.534 -8.384 1.884 501 HZ3 LYS 55 HZ3 LYS 55 4.484 -6.696 1.979 502 H ILE 56 HN ILE 56 7.888 -5.527 -4.314 503 HA ILE 56 HA ILE 56 7.984 -7.457 -6.481 504 HB ILE 56 HB ILE 56 6.103 -5.879 -6.335 505 HG12 ILE 56 HG12 ILE 56 7.504 -5.020 -8.813 506 HG13 ILE 56 HG11 ILE 56 7.315 -6.752 -8.560 507 HG21 ILE 56 HG21 ILE 56 6.975 -3.496 -7.329 508 HG22 ILE 56 HG22 ILE 56 8.278 -3.930 -6.223 509 HG23 ILE 56 HG23 ILE 56 6.622 -3.824 -5.634 510 HD11 ILE 56 HD11 ILE 56 5.379 -4.784 -9.392 511 HD12 ILE 56 HD12 ILE 56 4.814 -5.704 -7.998 512 HD13 ILE 56 HD13 ILE 56 5.306 -6.544 -9.470 513 H LYS 57 HN LYS 57 10.046 -5.104 -5.115 514 HA LYS 57 HA LYS 57 12.124 -4.368 -5.671 515 HB2 LYS 57 HB2 LYS 57 11.807 -6.825 -7.251 516 HB3 LYS 57 HB1 LYS 57 12.980 -5.695 -7.912 517 HG2 LYS 57 HG2 LYS 57 14.070 -7.281 -6.456 518 HG3 LYS 57 HG1 LYS 57 14.148 -5.663 -5.755 519 HD2 LYS 57 HD2 LYS 57 13.415 -6.680 -3.889 520 HD3 LYS 57 HD1 LYS 57 11.837 -6.598 -4.674 521 HE2 LYS 57 HE2 LYS 57 12.357 -8.851 -5.684 522 HE3 LYS 57 HE1 LYS 57 13.750 -8.921 -4.605 523 HZ1 LYS 57 HZ1 LYS 57 11.932 -8.391 -2.821 524 HZ2 LYS 57 HZ2 LYS 57 12.187 -9.977 -3.351 525 HZ3 LYS 57 HZ3 LYS 57 10.895 -9.077 -3.968 526 H LYS 58 HN LYS 58 13.432 -3.517 -7.691 527 HA LYS 58 HA LYS 58 11.589 -1.748 -9.106 528 HB2 LYS 58 HB2 LYS 58 13.579 -0.860 -7.836 529 HB3 LYS 58 HB1 LYS 58 14.606 -1.625 -9.041 530 HG2 LYS 58 HG2 LYS 58 13.450 -0.263 -10.782 531 HG3 LYS 58 HG1 LYS 58 12.622 0.592 -9.479 532 HD2 LYS 58 HD2 LYS 58 15.598 0.373 -9.426 533 HD3 LYS 58 HD1 LYS 58 14.838 1.547 -10.501 534 HE2 LYS 58 HE2 LYS 58 13.484 2.115 -8.288 535 HE3 LYS 58 HE1 LYS 58 14.938 1.462 -7.535 536 HZ1 LYS 58 HZ1 LYS 58 15.141 3.508 -9.648 537 HZ2 LYS 58 HZ2 LYS 58 16.246 3.129 -8.425 538 HZ3 LYS 58 HZ3 LYS 58 14.823 3.961 -8.048 539 H SER 59 HN SER 59 10.914 -3.628 -10.452 540 HA SER 59 HA SER 59 12.431 -3.614 -12.922 541 HG SER 59 HG SER 59 12.628 -6.970 -10.747 542 HB2 SER 59 HB2 SER 59 12.098 -6.234 -12.951 543 HB3 SER 59 HB1 SER 59 13.509 -5.518 -12.174 Start of MODEL 4 1 HA MET -1 HA MET -1 3.322 9.989 16.144 2 H1 MET -1 HT1 MET -1 3.127 12.316 15.986 3 H2 MET -1 HT2 MET -1 4.032 12.343 14.528 4 H3 MET -1 HT3 MET -1 4.787 11.889 16.000 5 HB2 MET -1 HB2 MET -1 2.376 11.199 13.564 6 HB3 MET -1 HB1 MET -1 2.237 9.466 13.826 7 HG2 MET -1 HG2 MET -1 0.210 10.094 14.598 8 HG3 MET -1 HG1 MET -1 1.129 10.276 16.091 9 HE1 MET -1 HE1 MET -1 -1.606 11.333 15.304 10 HE2 MET -1 HE2 MET -1 -1.741 13.091 15.331 11 HE3 MET -1 HE3 MET -1 -1.218 12.225 16.776 12 H ASP 0 HN ASP 0 5.029 8.669 16.193 13 HA ASP 0 HA ASP 0 6.973 8.651 14.048 14 HB2 ASP 0 HB2 ASP 0 6.808 7.034 16.600 15 HB3 ASP 0 HB1 ASP 0 8.160 7.000 15.472 16 H GLU 1 HN GLU 1 5.389 5.933 15.722 17 HA GLU 1 HA GLU 1 4.111 4.856 13.476 18 HB2 GLU 1 HB2 GLU 1 5.637 2.906 13.066 19 HB3 GLU 1 HB1 GLU 1 6.261 4.454 12.514 20 HG2 GLU 1 HG2 GLU 1 8.018 4.363 13.880 21 HG3 GLU 1 HG1 GLU 1 7.048 3.801 15.242 22 H LYS 2 HN LYS 2 2.514 3.782 14.414 23 HA LYS 2 HA LYS 2 3.138 1.988 16.654 24 HB2 LYS 2 HB2 LYS 2 1.018 2.676 17.752 25 HB3 LYS 2 HB1 LYS 2 2.211 3.965 17.670 26 HG2 LYS 2 HG2 LYS 2 1.009 4.791 15.616 27 HG3 LYS 2 HG1 LYS 2 -0.267 3.636 16.004 28 HD2 LYS 2 HD2 LYS 2 0.618 5.395 18.207 29 HD3 LYS 2 HD1 LYS 2 -0.247 6.178 16.882 30 HE2 LYS 2 HE2 LYS 2 -1.251 3.739 18.339 31 HE3 LYS 2 HE1 LYS 2 -1.696 5.389 18.768 32 HZ1 LYS 2 HZ1 LYS 2 -2.076 4.932 15.992 33 HZ2 LYS 2 HZ2 LYS 2 -3.200 5.421 17.158 34 HZ3 LYS 2 HZ3 LYS 2 -2.914 3.774 16.898 35 H ARG 3 HN ARG 3 2.196 2.020 13.612 36 HA ARG 3 HA ARG 3 0.490 -0.326 13.948 37 HE ARG 3 HE ARG 3 -3.522 3.704 14.982 38 HB2 ARG 3 HB2 ARG 3 -0.226 2.076 12.262 39 HB3 ARG 3 HB1 ARG 3 -1.012 0.511 12.114 40 HG2 ARG 3 HG2 ARG 3 -2.285 0.846 13.917 41 HG3 ARG 3 HG1 ARG 3 -0.956 1.541 14.846 42 HD2 ARG 3 HD2 ARG 3 -1.406 3.673 14.159 43 HD3 ARG 3 HD1 ARG 3 -2.089 3.149 12.620 44 HH11 ARG 3 HH11 ARG 3 -3.429 1.413 12.350 45 HH12 ARG 3 HH12 ARG 3 -5.119 1.047 12.443 46 HH21 ARG 3 HH21 ARG 3 -5.745 3.224 15.105 47 HH22 ARG 3 HH22 ARG 3 -6.434 2.076 14.007 48 HA PRO 4 HA PRO 4 3.869 -1.005 10.863 49 HB2 PRO 4 HB2 PRO 4 4.070 -3.680 11.429 50 HB3 PRO 4 HB1 PRO 4 4.979 -2.422 12.271 51 HG2 PRO 4 HG2 PRO 4 2.475 -3.829 13.102 52 HG3 PRO 4 HG1 PRO 4 3.886 -3.383 14.078 53 HD2 PRO 4 HD2 PRO 4 1.604 -1.955 14.134 54 HD3 PRO 4 HD1 PRO 4 3.196 -1.188 14.301 55 H ARG 5 HN ARG 5 1.333 -3.427 11.551 56 HA ARG 5 HA ARG 5 0.376 -3.224 8.820 57 HE ARG 5 HE ARG 5 0.119 -8.068 10.053 58 HB2 ARG 5 HB2 ARG 5 0.516 -5.713 8.505 59 HB3 ARG 5 HB1 ARG 5 2.064 -4.879 8.486 60 HG2 ARG 5 HG2 ARG 5 2.623 -5.656 10.640 61 HG3 ARG 5 HG1 ARG 5 0.974 -6.201 10.952 62 HD2 ARG 5 HD2 ARG 5 2.294 -7.372 8.590 63 HD3 ARG 5 HD1 ARG 5 2.973 -7.826 10.153 64 HH11 ARG 5 HH11 ARG 5 3.131 -9.663 9.303 65 HH12 ARG 5 HH12 ARG 5 2.450 -11.254 9.373 66 HH21 ARG 5 HH21 ARG 5 -0.778 -10.159 10.145 67 HH22 ARG 5 HH22 ARG 5 0.231 -11.535 9.850 68 H THR 6 HN THR 6 -1.746 -3.852 8.577 69 HA THR 6 HA THR 6 -3.098 -4.824 11.010 70 HB THR 6 HB THR 6 -3.574 -2.442 10.611 71 HG1 THR 6 HG1 THR 6 -5.501 -2.847 11.290 72 HG21 THR 6 HG21 THR 6 -3.578 -1.817 8.456 73 HG22 THR 6 HG22 THR 6 -5.291 -2.222 8.564 74 HG23 THR 6 HG23 THR 6 -4.151 -3.384 7.887 75 H ALA 7 HN ALA 7 -5.232 -5.852 10.562 76 HA ALA 7 HA ALA 7 -4.929 -7.917 8.645 77 HB1 ALA 7 HB1 ALA 7 -6.304 -8.835 10.135 78 HB2 ALA 7 HB2 ALA 7 -7.609 -7.911 9.391 79 HB3 ALA 7 HB3 ALA 7 -6.753 -7.260 10.788 80 H PHE 8 HN PHE 8 -4.908 -7.332 6.541 81 HA PHE 8 HA PHE 8 -6.795 -5.398 5.506 82 HD1 PHE 8 HD1 PHE 8 -5.707 -3.547 3.686 83 HD2 PHE 8 HD2 PHE 8 -2.793 -6.086 5.468 84 HE1 PHE 8 HE1 PHE 8 -4.284 -1.591 4.138 85 HE2 PHE 8 HE2 PHE 8 -1.365 -4.135 5.923 86 HZ PHE 8 HZ PHE 8 -2.111 -1.883 5.259 87 HB2 PHE 8 HB2 PHE 8 -4.583 -7.016 4.248 88 HB3 PHE 8 HB1 PHE 8 -5.668 -6.006 3.298 89 H SER 9 HN SER 9 -7.924 -5.998 3.381 90 HA SER 9 HA SER 9 -9.120 -8.679 3.646 91 HG SER 9 HG SER 9 -11.455 -6.420 1.731 92 HB2 SER 9 HB2 SER 9 -11.261 -7.833 3.261 93 HB3 SER 9 HB1 SER 9 -10.540 -6.579 4.269 94 H SER 10 HN SER 10 -9.870 -9.672 1.700 95 HA SER 10 HA SER 10 -8.104 -9.593 -0.431 96 HG SER 10 HG SER 10 -9.068 -11.691 0.796 97 HB2 SER 10 HB2 SER 10 -10.960 -10.402 -0.874 98 HB3 SER 10 HB1 SER 10 -9.483 -11.151 -1.481 99 H GLU 11 HN GLU 11 -11.171 -7.898 -0.007 100 HA GLU 11 HA GLU 11 -11.314 -6.811 -2.613 101 HB2 GLU 11 HB2 GLU 11 -12.828 -6.679 -0.192 102 HB3 GLU 11 HB1 GLU 11 -12.565 -5.040 -0.771 103 HG2 GLU 11 HG2 GLU 11 -13.558 -5.565 -2.887 104 HG3 GLU 11 HG1 GLU 11 -13.678 -7.269 -2.454 105 H GLN 12 HN GLN 12 -9.910 -5.645 0.411 106 HA GLN 12 HA GLN 12 -9.230 -3.063 -0.529 107 HB2 GLN 12 HB2 GLN 12 -8.101 -4.734 1.720 108 HB3 GLN 12 HB1 GLN 12 -7.637 -3.065 1.421 109 HG2 GLN 12 HG2 GLN 12 -9.802 -2.272 1.924 110 HG3 GLN 12 HG1 GLN 12 -10.483 -3.898 1.889 111 HE21 GLN 12 HE21 GLN 12 -10.722 -2.036 4.015 112 HE22 GLN 12 HE22 GLN 12 -9.947 -2.717 5.401 113 H LEU 13 HN LEU 13 -7.343 -6.067 -0.235 114 HA LEU 13 HA LEU 13 -4.948 -5.014 -1.283 115 HG LEU 13 HG LEU 13 -5.423 -7.510 1.011 116 HB2 LEU 13 HB2 LEU 13 -6.020 -7.829 -1.172 117 HB3 LEU 13 HB1 LEU 13 -4.423 -7.444 -1.781 118 HD11 LEU 13 HD11 LEU 13 -2.684 -7.974 -0.149 119 HD12 LEU 13 HD12 LEU 13 -3.931 -9.217 -0.031 120 HD13 LEU 13 HD13 LEU 13 -3.284 -8.476 1.432 121 HD21 LEU 13 HD21 LEU 13 -3.409 -6.048 1.639 122 HD22 LEU 13 HD22 LEU 13 -4.876 -5.239 1.086 123 HD23 LEU 13 HD23 LEU 13 -3.511 -5.435 -0.013 124 H ALA 14 HN ALA 14 -7.799 -6.387 -2.780 125 HA ALA 14 HA ALA 14 -6.755 -6.755 -5.372 126 HB1 ALA 14 HB1 ALA 14 -9.030 -6.921 -6.107 127 HB2 ALA 14 HB2 ALA 14 -9.609 -6.087 -4.664 128 HB3 ALA 14 HB3 ALA 14 -8.906 -7.699 -4.529 129 H ARG 15 HN ARG 15 -8.554 -4.048 -3.926 130 HA ARG 15 HA ARG 15 -8.475 -2.393 -6.214 131 HE ARG 15 HE ARG 15 -10.707 1.249 -6.055 132 HB2 ARG 15 HB2 ARG 15 -9.084 -2.021 -3.329 133 HB3 ARG 15 HB1 ARG 15 -8.695 -0.577 -4.255 134 HG2 ARG 15 HG2 ARG 15 -10.480 -1.726 -5.908 135 HG3 ARG 15 HG1 ARG 15 -11.072 -2.310 -4.351 136 HD2 ARG 15 HD2 ARG 15 -12.089 -0.347 -4.098 137 HD3 ARG 15 HD1 ARG 15 -10.494 0.386 -3.938 138 HH11 ARG 15 HH11 ARG 15 -13.203 -1.133 -5.532 139 HH12 ARG 15 HH12 ARG 15 -14.063 -0.731 -6.980 140 HH21 ARG 15 HH21 ARG 15 -11.837 1.779 -7.959 141 HH22 ARG 15 HH22 ARG 15 -13.288 0.921 -8.358 142 H LEU 16 HN LEU 16 -6.450 -2.488 -3.294 143 HA LEU 16 HA LEU 16 -4.720 -0.398 -3.998 144 HG LEU 16 HG LEU 16 -6.072 -1.202 -1.652 145 HB2 LEU 16 HB2 LEU 16 -4.078 -2.845 -2.349 146 HB3 LEU 16 HB1 LEU 16 -3.188 -1.335 -2.347 147 HD11 LEU 16 HD11 LEU 16 -4.452 -3.094 -0.392 148 HD12 LEU 16 HD12 LEU 16 -6.003 -2.470 0.168 149 HD13 LEU 16 HD13 LEU 16 -4.503 -1.716 0.707 150 HD21 LEU 16 HD21 LEU 16 -5.489 0.759 -0.735 151 HD22 LEU 16 HD22 LEU 16 -4.015 0.583 -1.687 152 HD23 LEU 16 HD23 LEU 16 -4.035 0.093 0.007 153 H LYS 17 HN LYS 17 -4.604 -3.861 -4.687 154 HA LYS 17 HA LYS 17 -2.046 -3.950 -5.836 155 HB2 LYS 17 HB2 LYS 17 -4.479 -5.660 -5.947 156 HB3 LYS 17 HB1 LYS 17 -3.252 -5.915 -7.179 157 HG2 LYS 17 HG2 LYS 17 -1.584 -6.118 -5.287 158 HG3 LYS 17 HG1 LYS 17 -2.974 -6.192 -4.203 159 HD2 LYS 17 HD2 LYS 17 -3.162 -7.996 -6.500 160 HD3 LYS 17 HD1 LYS 17 -1.804 -8.342 -5.428 161 HE2 LYS 17 HE2 LYS 17 -3.155 -9.217 -3.893 162 HE3 LYS 17 HE1 LYS 17 -4.185 -7.786 -3.905 163 HZ1 LYS 17 HZ1 LYS 17 -5.439 -9.737 -4.522 164 HZ2 LYS 17 HZ2 LYS 17 -4.363 -10.082 -5.781 165 HZ3 LYS 17 HZ3 LYS 17 -5.326 -8.695 -5.851 166 H ARG 18 HN ARG 18 -5.230 -3.346 -7.266 167 HA ARG 18 HA ARG 18 -4.391 -3.201 -9.943 168 HE ARG 18 HE ARG 18 -9.773 -2.753 -10.668 169 HB2 ARG 18 HB2 ARG 18 -6.771 -3.345 -9.107 170 HB3 ARG 18 HB1 ARG 18 -6.663 -1.634 -8.717 171 HG2 ARG 18 HG2 ARG 18 -6.003 -1.329 -11.182 172 HG3 ARG 18 HG1 ARG 18 -6.650 -2.956 -11.401 173 HD2 ARG 18 HD2 ARG 18 -8.382 -1.145 -9.876 174 HD3 ARG 18 HD1 ARG 18 -8.110 -0.663 -11.550 175 HH11 ARG 18 HH11 ARG 18 -7.442 -2.032 -13.165 176 HH12 ARG 18 HH12 ARG 18 -8.131 -3.141 -14.302 177 HH21 ARG 18 HH21 ARG 18 -10.679 -4.212 -12.163 178 HH22 ARG 18 HH22 ARG 18 -9.969 -4.378 -13.734 179 H GLU 19 HN GLU 19 -4.674 -0.723 -7.430 180 HA GLU 19 HA GLU 19 -3.938 1.460 -9.079 181 HB2 GLU 19 HB2 GLU 19 -4.897 1.198 -6.529 182 HB3 GLU 19 HB1 GLU 19 -3.229 1.667 -6.231 183 HG2 GLU 19 HG2 GLU 19 -4.162 3.724 -6.341 184 HG3 GLU 19 HG1 GLU 19 -3.809 3.497 -8.053 185 H PHE 20 HN PHE 20 -2.110 -0.705 -6.966 186 HA PHE 20 HA PHE 20 0.378 0.596 -7.170 187 HD1 PHE 20 HD2 PHE 20 1.813 0.310 -5.036 188 HD2 PHE 20 HD1 PHE 20 1.984 -3.360 -7.175 189 HE1 PHE 20 HE2 PHE 20 4.219 0.151 -4.554 190 HE2 PHE 20 HE1 PHE 20 4.392 -3.530 -6.697 191 HZ PHE 20 HZ PHE 20 5.513 -1.772 -5.386 192 HB2 PHE 20 HB2 PHE 20 -0.241 -1.185 -5.500 193 HB3 PHE 20 HB1 PHE 20 -0.071 -2.370 -6.791 194 H ASN 21 HN ASN 21 -1.200 -1.841 -9.159 195 HA ASN 21 HA ASN 21 0.998 -2.497 -10.790 196 HB2 ASN 21 HB2 ASN 21 -1.134 -3.795 -10.645 197 HB3 ASN 21 HB1 ASN 21 -1.926 -2.521 -11.567 198 HD21 ASN 21 HD21 ASN 21 -0.094 -5.356 -11.699 199 HD22 ASN 21 HD22 ASN 21 0.187 -5.387 -13.404 200 H GLU 22 HN GLU 22 -1.249 0.168 -10.825 201 HA GLU 22 HA GLU 22 -0.476 1.056 -13.464 202 HB2 GLU 22 HB2 GLU 22 -2.150 2.395 -11.330 203 HB3 GLU 22 HB1 GLU 22 -1.930 3.000 -12.967 204 HG2 GLU 22 HG2 GLU 22 -2.934 0.881 -13.808 205 HG3 GLU 22 HG1 GLU 22 -3.293 0.453 -12.135 206 H ASN 23 HN ASN 23 0.263 1.846 -10.122 207 HA ASN 23 HA ASN 23 2.667 3.201 -10.937 208 HB2 ASN 23 HB2 ASN 23 0.296 4.734 -10.392 209 HB3 ASN 23 HB1 ASN 23 1.511 5.077 -9.164 210 HD21 ASN 23 HD21 ASN 23 2.750 6.725 -9.636 211 HD22 ASN 23 HD22 ASN 23 3.234 7.225 -11.217 212 H ARG 24 HN ARG 24 4.138 2.413 -9.608 213 HA ARG 24 HA ARG 24 3.473 1.227 -7.100 214 HE ARG 24 HE ARG 24 6.553 -0.513 -10.792 215 HB2 ARG 24 HB2 ARG 24 6.103 1.789 -8.460 216 HB3 ARG 24 HB1 ARG 24 5.987 0.990 -6.898 217 HG2 ARG 24 HG2 ARG 24 4.621 -0.779 -7.930 218 HG3 ARG 24 HG1 ARG 24 4.822 0.008 -9.496 219 HD2 ARG 24 HD2 ARG 24 7.284 -0.571 -7.966 220 HD3 ARG 24 HD1 ARG 24 6.418 -1.957 -8.625 221 HH11 ARG 24 HH11 ARG 24 9.041 -0.899 -8.366 222 HH12 ARG 24 HH12 ARG 24 10.338 -0.653 -9.485 223 HH21 ARG 24 HH21 ARG 24 8.263 -0.196 -12.256 224 HH22 ARG 24 HH22 ARG 24 9.898 -0.255 -11.689 225 H TYR 25 HN TYR 25 3.645 4.400 -7.838 226 HA TYR 25 HA TYR 25 4.665 5.115 -5.172 227 HD1 TYR 25 HD2 TYR 25 7.477 5.945 -5.343 228 HD2 TYR 25 HD1 TYR 25 5.830 5.488 -9.238 229 HE1 TYR 25 HE2 TYR 25 9.571 4.899 -6.099 230 HE2 TYR 25 HE1 TYR 25 7.918 4.441 -10.005 231 HH TYR 25 HH TYR 25 10.317 4.421 -9.351 232 HB2 TYR 25 HB2 TYR 25 4.742 6.881 -7.625 233 HB3 TYR 25 HB1 TYR 25 5.474 7.206 -6.057 234 H LEU 26 HN LEU 26 3.274 6.148 -3.876 235 HA LEU 26 HA LEU 26 0.650 6.810 -4.950 236 HG LEU 26 HG LEU 26 0.584 4.418 -3.218 237 HB2 LEU 26 HB2 LEU 26 1.755 6.264 -2.246 238 HB3 LEU 26 HB1 LEU 26 0.341 7.289 -2.348 239 HD11 LEU 26 HD11 LEU 26 0.251 4.856 -0.817 240 HD12 LEU 26 HD12 LEU 26 -1.136 4.050 -1.550 241 HD13 LEU 26 HD13 LEU 26 -1.202 5.780 -1.205 242 HD21 LEU 26 HD21 LEU 26 -1.974 5.929 -3.393 243 HD22 LEU 26 HD22 LEU 26 -1.466 4.475 -4.246 244 HD23 LEU 26 HD23 LEU 26 -0.823 6.044 -4.721 245 H THR 27 HN THR 27 -0.369 8.687 -3.513 246 HA THR 27 HA THR 27 1.395 10.979 -3.272 247 HB THR 27 HB THR 27 0.282 12.364 -4.821 248 HG1 THR 27 HG1 THR 27 -1.628 10.579 -5.687 249 HG21 THR 27 HG21 THR 27 1.717 10.908 -6.059 250 HG22 THR 27 HG22 THR 27 0.232 11.149 -6.979 251 HG23 THR 27 HG23 THR 27 0.486 9.645 -6.091 252 H GLU 28 HN GLU 28 0.097 12.893 -2.385 253 HA GLU 28 HA GLU 28 -1.236 12.128 -0.063 254 HB2 GLU 28 HB2 GLU 28 -0.245 14.462 -0.935 255 HB3 GLU 28 HB1 GLU 28 -1.949 14.758 -1.254 256 HG2 GLU 28 HG2 GLU 28 -2.330 14.024 1.170 257 HG3 GLU 28 HG1 GLU 28 -0.592 14.244 1.364 258 H ARG 29 HN ARG 29 -2.588 13.354 -3.110 259 HA ARG 29 HA ARG 29 -5.289 13.170 -2.403 260 HE ARG 29 HE ARG 29 -7.712 16.585 -3.956 261 HB2 ARG 29 HB2 ARG 29 -3.961 14.131 -4.544 262 HB3 ARG 29 HB1 ARG 29 -4.582 12.634 -5.225 263 HG2 ARG 29 HG2 ARG 29 -6.432 13.783 -5.669 264 HG3 ARG 29 HG1 ARG 29 -6.776 13.671 -3.942 265 HD2 ARG 29 HD2 ARG 29 -5.606 15.802 -3.587 266 HD3 ARG 29 HD1 ARG 29 -5.307 15.916 -5.321 267 HH11 ARG 29 HH11 ARG 29 -6.481 15.302 -6.959 268 HH12 ARG 29 HH12 ARG 29 -7.852 15.812 -7.884 269 HH21 ARG 29 HH21 ARG 29 -9.517 17.258 -5.171 270 HH22 ARG 29 HH22 ARG 29 -9.576 16.924 -6.870 271 H ARG 30 HN ARG 30 -3.103 10.783 -3.842 272 HA ARG 30 HA ARG 30 -5.109 8.848 -4.373 273 HE ARG 30 HE ARG 30 -5.693 9.464 -6.747 274 HB2 ARG 30 HB2 ARG 30 -2.259 9.082 -4.666 275 HB3 ARG 30 HB1 ARG 30 -2.656 7.517 -3.979 276 HG2 ARG 30 HG2 ARG 30 -2.613 7.216 -6.311 277 HG3 ARG 30 HG1 ARG 30 -4.317 7.243 -5.855 278 HD2 ARG 30 HD2 ARG 30 -3.403 9.906 -6.422 279 HD3 ARG 30 HD1 ARG 30 -3.019 8.839 -7.769 280 HH11 ARG 30 HH11 ARG 30 -3.687 7.872 -9.130 281 HH12 ARG 30 HH12 ARG 30 -4.998 7.604 -10.226 282 HH21 ARG 30 HH21 ARG 30 -7.408 9.103 -8.190 283 HH22 ARG 30 HH22 ARG 30 -7.106 8.300 -9.696 284 H ARG 31 HN ARG 31 -2.885 9.335 -1.659 285 HA ARG 31 HA ARG 31 -3.499 6.995 -0.248 286 HE ARG 31 HE ARG 31 -0.290 7.244 4.170 287 HB2 ARG 31 HB2 ARG 31 -1.688 8.905 0.123 288 HB3 ARG 31 HB1 ARG 31 -2.896 9.499 1.254 289 HG2 ARG 31 HG2 ARG 31 -2.667 7.698 2.659 290 HG3 ARG 31 HG1 ARG 31 -2.069 6.640 1.381 291 HD2 ARG 31 HD2 ARG 31 0.040 7.138 1.871 292 HD3 ARG 31 HD1 ARG 31 -0.285 8.865 1.750 293 HH11 ARG 31 HH11 ARG 31 -0.935 10.343 2.690 294 HH12 ARG 31 HH12 ARG 31 -0.893 11.203 4.191 295 HH21 ARG 31 HH21 ARG 31 -0.240 8.378 6.138 296 HH22 ARG 31 HH22 ARG 31 -0.499 10.090 6.147 297 H GLN 32 HN GLN 32 -4.866 10.259 0.011 298 HA GLN 32 HA GLN 32 -6.742 9.613 2.030 299 HB2 GLN 32 HB2 GLN 32 -5.935 11.921 1.438 300 HB3 GLN 32 HB1 GLN 32 -6.955 11.845 0.008 301 HG2 GLN 32 HG2 GLN 32 -8.557 11.153 2.233 302 HG3 GLN 32 HG1 GLN 32 -7.643 12.600 2.660 303 HE21 GLN 32 HE21 GLN 32 -9.400 11.291 -0.138 304 HE22 GLN 32 HE22 GLN 32 -10.219 12.761 -0.525 305 H GLN 33 HN GLN 33 -6.848 9.492 -1.477 306 HA GLN 33 HA GLN 33 -9.649 9.185 -1.736 307 HB2 GLN 33 HB2 GLN 33 -7.295 8.626 -3.501 308 HB3 GLN 33 HB1 GLN 33 -8.885 8.038 -3.967 309 HG2 GLN 33 HG2 GLN 33 -8.289 10.914 -3.329 310 HG3 GLN 33 HG1 GLN 33 -8.238 10.232 -4.955 311 HE21 GLN 33 HE21 GLN 33 -10.289 11.013 -2.236 312 HE22 GLN 33 HE22 GLN 33 -11.781 10.995 -3.106 313 H LEU 34 HN LEU 34 -7.006 6.802 -1.733 314 HA LEU 34 HA LEU 34 -8.682 4.537 -1.920 315 HG LEU 34 HG LEU 34 -7.053 2.970 -3.067 316 HB2 LEU 34 HB2 LEU 34 -5.833 5.035 -1.232 317 HB3 LEU 34 HB1 LEU 34 -6.517 3.490 -0.765 318 HD11 LEU 34 HD11 LEU 34 -7.656 4.938 -4.112 319 HD12 LEU 34 HD12 LEU 34 -6.069 4.621 -4.813 320 HD13 LEU 34 HD13 LEU 34 -6.242 5.809 -3.521 321 HD21 LEU 34 HD21 LEU 34 -4.607 3.327 -4.011 322 HD22 LEU 34 HD22 LEU 34 -4.944 2.179 -2.715 323 HD23 LEU 34 HD23 LEU 34 -4.289 3.772 -2.334 324 H SER 35 HN SER 35 -7.400 6.350 0.807 325 HA SER 35 HA SER 35 -8.053 4.557 2.857 326 HG SER 35 HG SER 35 -5.851 6.413 4.044 327 HB2 SER 35 HB2 SER 35 -7.132 7.276 2.643 328 HB3 SER 35 HB1 SER 35 -8.385 7.170 3.879 329 H SER 36 HN SER 36 -9.871 7.298 1.535 330 HA SER 36 HA SER 36 -12.149 6.907 3.182 331 HG SER 36 HG SER 36 -13.204 9.802 2.381 332 HB2 SER 36 HB2 SER 36 -11.362 8.984 1.754 333 HB3 SER 36 HB1 SER 36 -12.384 8.246 0.520 334 H GLU 37 HN GLU 37 -11.357 5.898 -0.113 335 HA GLU 37 HA GLU 37 -13.871 4.847 -0.788 336 HB2 GLU 37 HB2 GLU 37 -11.580 5.255 -2.145 337 HB3 GLU 37 HB1 GLU 37 -11.484 3.514 -1.917 338 HG2 GLU 37 HG2 GLU 37 -12.726 3.355 -3.749 339 HG3 GLU 37 HG1 GLU 37 -14.076 3.881 -2.743 340 H LEU 38 HN LEU 38 -10.947 3.091 0.284 341 HA LEU 38 HA LEU 38 -12.501 0.683 0.680 342 HG LEU 38 HG LEU 38 -10.176 1.092 -1.258 343 HB2 LEU 38 HB2 LEU 38 -9.588 1.321 1.110 344 HB3 LEU 38 HB1 LEU 38 -10.292 -0.250 1.444 345 HD11 LEU 38 HD11 LEU 38 -8.813 -1.222 -1.502 346 HD12 LEU 38 HD12 LEU 38 -8.426 -0.797 0.165 347 HD13 LEU 38 HD13 LEU 38 -8.062 0.332 -1.140 348 HD21 LEU 38 HD21 LEU 38 -10.770 -1.657 -1.457 349 HD22 LEU 38 HD22 LEU 38 -11.797 -0.288 -1.882 350 HD23 LEU 38 HD23 LEU 38 -11.876 -0.980 -0.262 351 H GLY 39 HN GLY 39 -11.815 3.400 2.544 352 HA2 GLY 39 HA2 GLY 39 -12.323 3.876 4.736 353 HA3 GLY 39 HA1 GLY 39 -13.033 2.273 4.857 354 H LEU 40 HN LEU 40 -9.695 3.041 3.999 355 HA LEU 40 HA LEU 40 -8.841 1.610 6.428 356 HG LEU 40 HG LEU 40 -9.148 -0.213 4.726 357 HB2 LEU 40 HB2 LEU 40 -7.692 1.767 3.665 358 HB3 LEU 40 HB1 LEU 40 -6.659 1.378 5.027 359 HD11 LEU 40 HD11 LEU 40 -7.542 -1.719 3.226 360 HD12 LEU 40 HD12 LEU 40 -6.966 -0.127 2.730 361 HD13 LEU 40 HD13 LEU 40 -8.667 -0.548 2.537 362 HD21 LEU 40 HD21 LEU 40 -7.205 -0.358 6.488 363 HD22 LEU 40 HD22 LEU 40 -6.419 -1.297 5.218 364 HD23 LEU 40 HD23 LEU 40 -7.975 -1.816 5.865 365 H ASN 41 HN ASN 41 -6.583 2.256 7.161 366 HA ASN 41 HA ASN 41 -6.578 5.117 7.570 367 HB2 ASN 41 HB2 ASN 41 -5.536 2.802 8.937 368 HB3 ASN 41 HB1 ASN 41 -4.259 3.994 8.720 369 HD21 ASN 41 HD21 ASN 41 -4.048 4.927 10.634 370 HD22 ASN 41 HD22 ASN 41 -5.326 5.645 11.548 371 H GLU 42 HN GLU 42 -5.265 6.573 6.648 372 HA GLU 42 HA GLU 42 -3.958 6.126 4.266 373 HB2 GLU 42 HB2 GLU 42 -3.345 8.255 6.323 374 HB3 GLU 42 HB1 GLU 42 -2.839 8.295 4.640 375 HG2 GLU 42 HG2 GLU 42 -4.932 8.774 3.871 376 HG3 GLU 42 HG1 GLU 42 -5.732 7.992 5.234 377 H ALA 43 HN ALA 43 -2.641 5.965 7.537 378 HA ALA 43 HA ALA 43 0.073 5.719 6.811 379 HB1 ALA 43 HB1 ALA 43 -0.633 6.283 9.079 380 HB2 ALA 43 HB2 ALA 43 0.412 4.863 9.075 381 HB3 ALA 43 HB3 ALA 43 -1.330 4.674 9.269 382 H GLN 44 HN GLN 44 -2.523 3.375 7.170 383 HA GLN 44 HA GLN 44 -0.884 1.061 6.973 384 HB2 GLN 44 HB2 GLN 44 -3.811 1.297 6.265 385 HB3 GLN 44 HB1 GLN 44 -2.941 -0.166 6.707 386 HG2 GLN 44 HG2 GLN 44 -2.592 0.718 8.956 387 HG3 GLN 44 HG1 GLN 44 -3.465 2.184 8.513 388 HE21 GLN 44 HE21 GLN 44 -4.214 0.587 10.647 389 HE22 GLN 44 HE22 GLN 44 -5.739 -0.144 10.295 390 H ILE 45 HN ILE 45 -2.651 3.029 4.639 391 HA ILE 45 HA ILE 45 -2.254 1.337 2.407 392 HB ILE 45 HB ILE 45 -2.574 4.339 2.347 393 HG12 ILE 45 HG12 ILE 45 -4.696 2.179 2.406 394 HG13 ILE 45 HG11 ILE 45 -4.355 3.327 3.697 395 HG21 ILE 45 HG21 ILE 45 -3.880 3.372 0.183 396 HG22 ILE 45 HG22 ILE 45 -2.568 2.203 0.329 397 HG23 ILE 45 HG23 ILE 45 -2.205 3.922 0.169 398 HD11 ILE 45 HD11 ILE 45 -5.892 3.662 1.232 399 HD12 ILE 45 HD12 ILE 45 -4.811 5.001 1.617 400 HD13 ILE 45 HD13 ILE 45 -6.029 4.488 2.783 401 H LYS 46 HN LYS 46 -0.471 4.152 3.634 402 HA LYS 46 HA LYS 46 1.460 4.290 1.617 403 HB2 LYS 46 HB2 LYS 46 1.017 5.982 3.454 404 HB3 LYS 46 HB1 LYS 46 1.951 4.945 4.523 405 HG2 LYS 46 HG2 LYS 46 3.357 5.511 2.054 406 HG3 LYS 46 HG1 LYS 46 2.924 6.980 2.930 407 HD2 LYS 46 HD2 LYS 46 4.055 4.767 4.533 408 HD3 LYS 46 HD1 LYS 46 5.158 5.579 3.421 409 HE2 LYS 46 HE2 LYS 46 3.411 7.092 5.341 410 HE3 LYS 46 HE1 LYS 46 5.009 6.498 5.793 411 HZ1 LYS 46 HZ1 LYS 46 5.303 8.701 5.074 412 HZ2 LYS 46 HZ2 LYS 46 4.332 8.487 3.706 413 HZ3 LYS 46 HZ3 LYS 46 5.849 7.743 3.789 414 H ILE 47 HN ILE 47 1.464 2.509 4.694 415 HA ILE 47 HA ILE 47 4.051 1.415 4.423 416 HB ILE 47 HB ILE 47 1.671 0.278 5.903 417 HG12 ILE 47 HG12 ILE 47 3.965 1.737 7.168 418 HG13 ILE 47 HG11 ILE 47 2.639 2.648 6.453 419 HG21 ILE 47 HG21 ILE 47 3.492 -0.827 7.277 420 HG22 ILE 47 HG22 ILE 47 4.595 -0.414 5.965 421 HG23 ILE 47 HG23 ILE 47 3.223 -1.479 5.661 422 HD11 ILE 47 HD11 ILE 47 1.441 2.359 8.286 423 HD12 ILE 47 HD12 ILE 47 2.787 1.480 9.012 424 HD13 ILE 47 HD13 ILE 47 1.550 0.608 8.107 425 H TRP 48 HN TRP 48 0.882 0.354 3.321 426 HA TRP 48 HA TRP 48 1.621 -2.228 2.467 427 HD1 TRP 48 HD1 TRP 48 -0.992 -4.087 2.419 428 HE1 TRP 48 HE1 TRP 48 -1.595 -5.492 0.349 429 HE3 TRP 48 HE3 TRP 48 -0.265 -0.550 -1.205 430 HZ2 TRP 48 HZ2 TRP 48 -1.745 -5.150 -2.447 431 HZ3 TRP 48 HZ3 TRP 48 -0.659 -1.172 -3.551 432 HH2 TRP 48 HH2 TRP 48 -1.382 -3.423 -4.157 433 HB2 TRP 48 HB2 TRP 48 -0.726 -1.465 2.785 434 HB3 TRP 48 HB1 TRP 48 -0.563 -0.452 1.354 435 H PHE 49 HN PHE 49 1.539 0.892 0.796 436 HA PHE 49 HA PHE 49 2.284 -0.120 -1.744 437 HD1 PHE 49 HD2 PHE 49 -0.391 1.544 -1.216 438 HD2 PHE 49 HD1 PHE 49 2.666 2.602 -3.979 439 HE1 PHE 49 HE2 PHE 49 -2.065 1.664 -3.014 440 HE2 PHE 49 HE1 PHE 49 0.997 2.726 -5.781 441 HZ PHE 49 HZ PHE 49 -1.371 2.257 -5.301 442 HB2 PHE 49 HB2 PHE 49 1.868 2.501 -0.515 443 HB3 PHE 49 HB1 PHE 49 3.160 2.504 -1.711 444 H GLN 50 HN GLN 50 4.126 1.335 0.913 445 HA GLN 50 HA GLN 50 6.635 1.308 -0.362 446 HB2 GLN 50 HB2 GLN 50 6.002 2.563 1.743 447 HB3 GLN 50 HB1 GLN 50 6.159 1.040 2.607 448 HG2 GLN 50 HG2 GLN 50 8.437 0.994 2.399 449 HG3 GLN 50 HG1 GLN 50 8.432 1.974 0.934 450 HE21 GLN 50 HE21 GLN 50 9.294 1.985 4.063 451 HE22 GLN 50 HE22 GLN 50 9.219 3.678 4.399 452 H ASN 51 HN ASN 51 4.938 -1.096 1.585 453 HA ASN 51 HA ASN 51 7.131 -2.911 1.740 454 HB2 ASN 51 HB2 ASN 51 4.184 -3.125 2.284 455 HB3 ASN 51 HB1 ASN 51 5.205 -4.560 2.306 456 HD21 ASN 51 HD21 ASN 51 7.445 -3.845 3.488 457 HD22 ASN 51 HD22 ASN 51 7.169 -3.250 5.086 458 H LYS 52 HN LYS 52 4.415 -2.492 -0.455 459 HA LYS 52 HA LYS 52 4.749 -4.916 -1.878 460 HB2 LYS 52 HB2 LYS 52 3.060 -2.599 -2.014 461 HB3 LYS 52 HB1 LYS 52 3.661 -2.969 -3.623 462 HG2 LYS 52 HG2 LYS 52 1.559 -4.078 -3.265 463 HG3 LYS 52 HG1 LYS 52 2.848 -5.278 -3.371 464 HD2 LYS 52 HD2 LYS 52 2.910 -5.134 -0.803 465 HD3 LYS 52 HD1 LYS 52 1.338 -4.345 -0.951 466 HE2 LYS 52 HE2 LYS 52 0.587 -6.327 -2.300 467 HE3 LYS 52 HE1 LYS 52 2.101 -7.114 -1.859 468 HZ1 LYS 52 HZ1 LYS 52 1.439 -7.397 0.279 469 HZ2 LYS 52 HZ2 LYS 52 -0.085 -7.427 -0.454 470 HZ3 LYS 52 HZ3 LYS 52 0.464 -6.016 0.299 471 H ARG 53 HN ARG 53 6.221 -1.758 -2.125 472 HA ARG 53 HA ARG 53 7.381 -2.124 -4.698 473 HE ARG 53 HE ARG 53 10.974 0.769 -2.887 474 HB2 ARG 53 HB2 ARG 53 7.028 0.100 -3.690 475 HB3 ARG 53 HB1 ARG 53 8.221 -0.278 -2.455 476 HG2 ARG 53 HG2 ARG 53 9.916 -0.530 -4.260 477 HG3 ARG 53 HG1 ARG 53 8.701 0.038 -5.408 478 HD2 ARG 53 HD2 ARG 53 9.585 2.059 -4.954 479 HD3 ARG 53 HD1 ARG 53 8.543 1.974 -3.535 480 HH11 ARG 53 HH11 ARG 53 9.750 3.930 -3.719 481 HH12 ARG 53 HH12 ARG 53 10.957 4.774 -2.808 482 HH21 ARG 53 HH21 ARG 53 12.562 1.879 -1.688 483 HH22 ARG 53 HH22 ARG 53 12.554 3.611 -1.656 484 H ALA 54 HN ALA 54 8.318 -2.983 -1.454 485 HA ALA 54 HA ALA 54 11.070 -3.415 -1.918 486 HB1 ALA 54 HB1 ALA 54 9.892 -5.183 0.075 487 HB2 ALA 54 HB2 ALA 54 9.411 -3.498 0.274 488 HB3 ALA 54 HB3 ALA 54 11.120 -3.930 0.254 489 H LYS 55 HN LYS 55 8.238 -5.311 -2.604 490 HA LYS 55 HA LYS 55 9.605 -7.803 -2.935 491 HB2 LYS 55 HB2 LYS 55 6.908 -6.964 -4.012 492 HB3 LYS 55 HB1 LYS 55 7.506 -8.611 -3.864 493 HG2 LYS 55 HG2 LYS 55 7.710 -8.061 -1.348 494 HG3 LYS 55 HG1 LYS 55 6.618 -6.726 -1.722 495 HD2 LYS 55 HD2 LYS 55 5.640 -9.130 -2.937 496 HD3 LYS 55 HD1 LYS 55 5.962 -9.425 -1.228 497 HE2 LYS 55 HE2 LYS 55 4.437 -7.008 -2.144 498 HE3 LYS 55 HE1 LYS 55 3.638 -8.559 -1.890 499 HZ1 LYS 55 HZ1 LYS 55 3.401 -7.655 0.163 500 HZ2 LYS 55 HZ2 LYS 55 4.815 -6.733 0.065 501 HZ3 LYS 55 HZ3 LYS 55 4.909 -8.390 0.391 502 H ILE 56 HN ILE 56 8.786 -5.106 -4.999 503 HA ILE 56 HA ILE 56 9.146 -6.312 -7.503 504 HB ILE 56 HB ILE 56 9.841 -3.452 -6.835 505 HG12 ILE 56 HG12 ILE 56 7.596 -4.020 -5.978 506 HG13 ILE 56 HG11 ILE 56 7.512 -2.902 -7.332 507 HG21 ILE 56 HG21 ILE 56 9.355 -3.001 -9.136 508 HG22 ILE 56 HG22 ILE 56 8.799 -4.653 -9.394 509 HG23 ILE 56 HG23 ILE 56 10.503 -4.337 -9.068 510 HD11 ILE 56 HD11 ILE 56 6.758 -4.582 -8.797 511 HD12 ILE 56 HD12 ILE 56 5.825 -4.768 -7.312 512 HD13 ILE 56 HD13 ILE 56 7.165 -5.863 -7.655 513 H LYS 57 HN LYS 57 11.454 -4.682 -5.364 514 HA LYS 57 HA LYS 57 13.660 -5.289 -7.153 515 HB2 LYS 57 HB2 LYS 57 13.244 -3.185 -5.543 516 HB3 LYS 57 HB1 LYS 57 14.147 -4.203 -4.431 517 HG2 LYS 57 HG2 LYS 57 15.458 -4.171 -6.975 518 HG3 LYS 57 HG1 LYS 57 15.150 -2.517 -6.439 519 HD2 LYS 57 HD2 LYS 57 16.297 -4.517 -4.534 520 HD3 LYS 57 HD1 LYS 57 17.342 -3.726 -5.716 521 HE2 LYS 57 HE2 LYS 57 17.542 -2.255 -3.981 522 HE3 LYS 57 HE1 LYS 57 16.146 -1.558 -4.802 523 HZ1 LYS 57 HZ1 LYS 57 14.897 -1.913 -3.023 524 HZ2 LYS 57 HZ2 LYS 57 16.286 -2.377 -2.177 525 HZ3 LYS 57 HZ3 LYS 57 15.336 -3.546 -2.944 526 H LYS 58 HN LYS 58 14.672 -7.176 -7.084 527 HA LYS 58 HA LYS 58 15.591 -9.117 -6.337 528 HB2 LYS 58 HB2 LYS 58 16.204 -7.242 -4.400 529 HB3 LYS 58 HB1 LYS 58 15.482 -8.547 -3.471 530 HG2 LYS 58 HG2 LYS 58 17.075 -10.117 -4.560 531 HG3 LYS 58 HG1 LYS 58 17.856 -8.724 -5.310 532 HD2 LYS 58 HD2 LYS 58 17.450 -8.647 -2.372 533 HD3 LYS 58 HD1 LYS 58 18.679 -9.751 -2.994 534 HE2 LYS 58 HE2 LYS 58 19.306 -7.563 -4.403 535 HE3 LYS 58 HE1 LYS 58 18.606 -6.792 -2.979 536 HZ1 LYS 58 HZ1 LYS 58 20.657 -8.902 -2.720 537 HZ2 LYS 58 HZ2 LYS 58 20.210 -7.717 -1.598 538 HZ3 LYS 58 HZ3 LYS 58 21.094 -7.287 -2.974 539 H SER 59 HN SER 59 14.039 -10.601 -6.763 540 HA SER 59 HA SER 59 11.852 -10.957 -4.851 541 HG SER 59 HG SER 59 12.101 -10.743 -8.451 542 HB2 SER 59 HB2 SER 59 12.134 -12.549 -7.379 543 HB3 SER 59 HB1 SER 59 10.668 -12.057 -6.530 Start of MODEL 5 1 HA MET -1 HA MET -1 -4.876 -11.550 20.980 2 H1 MET -1 HT1 MET -1 -2.841 -12.031 21.792 3 H2 MET -1 HT2 MET -1 -3.433 -12.509 23.330 4 H3 MET -1 HT3 MET -1 -3.401 -10.848 22.899 5 HB2 MET -1 HB2 MET -1 -5.058 -13.862 22.911 6 HB3 MET -1 HB1 MET -1 -6.332 -13.499 21.755 7 HG2 MET -1 HG2 MET -1 -5.098 -15.108 20.663 8 HG3 MET -1 HG1 MET -1 -4.456 -13.611 19.993 9 HE1 MET -1 HE1 MET -1 -1.930 -16.014 19.661 10 HE2 MET -1 HE2 MET -1 -1.133 -14.447 19.799 11 HE3 MET -1 HE3 MET -1 -2.717 -14.566 19.032 12 H ASP 0 HN ASP 0 -4.910 -9.453 22.443 13 HA ASP 0 HA ASP 0 -7.588 -9.217 23.396 14 HB2 ASP 0 HB2 ASP 0 -6.300 -10.244 25.359 15 HB3 ASP 0 HB1 ASP 0 -5.468 -8.696 25.476 16 H GLU 1 HN GLU 1 -4.346 -7.778 23.495 17 HA GLU 1 HA GLU 1 -5.524 -5.259 22.543 18 HB2 GLU 1 HB2 GLU 1 -3.306 -5.451 24.588 19 HB3 GLU 1 HB1 GLU 1 -4.035 -3.976 23.970 20 HG2 GLU 1 HG2 GLU 1 -5.805 -5.970 25.271 21 HG3 GLU 1 HG1 GLU 1 -4.734 -5.010 26.289 22 H LYS 2 HN LYS 2 -4.188 -7.465 21.154 23 HA LYS 2 HA LYS 2 -1.524 -6.727 20.514 24 HB2 LYS 2 HB2 LYS 2 -3.460 -8.737 19.656 25 HB3 LYS 2 HB1 LYS 2 -2.454 -8.160 18.336 26 HG2 LYS 2 HG2 LYS 2 -0.449 -8.701 19.647 27 HG3 LYS 2 HG1 LYS 2 -1.482 -9.328 20.934 28 HD2 LYS 2 HD2 LYS 2 -1.779 -11.272 19.872 29 HD3 LYS 2 HD1 LYS 2 -2.142 -10.467 18.344 30 HE2 LYS 2 HE2 LYS 2 0.272 -10.157 17.964 31 HE3 LYS 2 HE1 LYS 2 0.604 -11.025 19.464 32 HZ1 LYS 2 HZ1 LYS 2 0.831 -12.558 17.696 33 HZ2 LYS 2 HZ2 LYS 2 -0.638 -12.100 16.996 34 HZ3 LYS 2 HZ3 LYS 2 -0.628 -12.938 18.465 35 H ARG 3 HN ARG 3 -0.709 -5.477 18.902 36 HA ARG 3 HA ARG 3 -2.658 -3.872 17.393 37 HE ARG 3 HE ARG 3 -3.885 -1.693 20.776 38 HB2 ARG 3 HB2 ARG 3 0.047 -3.296 18.519 39 HB3 ARG 3 HB1 ARG 3 -0.463 -2.428 17.077 40 HG2 ARG 3 HG2 ARG 3 -0.927 -1.184 19.138 41 HG3 ARG 3 HG1 ARG 3 -2.396 -1.561 18.235 42 HD2 ARG 3 HD2 ARG 3 -2.830 -3.447 19.727 43 HD3 ARG 3 HD1 ARG 3 -1.357 -3.083 20.623 44 HH11 ARG 3 HH11 ARG 3 -0.460 -1.561 21.446 45 HH12 ARG 3 HH12 ARG 3 -0.623 -0.359 22.680 46 HH21 ARG 3 HH21 ARG 3 -4.098 -0.112 22.397 47 HH22 ARG 3 HH22 ARG 3 -2.687 0.465 23.220 48 HA PRO 4 HA PRO 4 -0.781 -6.463 14.102 49 HB2 PRO 4 HB2 PRO 4 -2.964 -6.486 12.509 50 HB3 PRO 4 HB1 PRO 4 -2.786 -7.578 13.887 51 HG2 PRO 4 HG2 PRO 4 -4.324 -5.016 13.687 52 HG3 PRO 4 HG1 PRO 4 -4.802 -6.553 14.433 53 HD2 PRO 4 HD2 PRO 4 -3.879 -4.440 15.870 54 HD3 PRO 4 HD1 PRO 4 -3.622 -6.126 16.362 55 H ARG 5 HN ARG 5 -0.179 -5.955 11.944 56 HA ARG 5 HA ARG 5 -0.597 -3.135 11.196 57 HE ARG 5 HE ARG 5 4.010 -3.752 8.810 58 HB2 ARG 5 HB2 ARG 5 1.747 -3.867 12.029 59 HB3 ARG 5 HB1 ARG 5 1.886 -4.660 10.467 60 HG2 ARG 5 HG2 ARG 5 1.438 -2.480 9.376 61 HG3 ARG 5 HG1 ARG 5 1.455 -1.724 10.969 62 HD2 ARG 5 HD2 ARG 5 3.608 -1.600 9.649 63 HD3 ARG 5 HD1 ARG 5 3.739 -2.225 11.290 64 HH11 ARG 5 HH11 ARG 5 4.052 -3.700 12.307 65 HH12 ARG 5 HH12 ARG 5 4.869 -5.220 12.438 66 HH21 ARG 5 HH21 ARG 5 5.081 -5.748 8.992 67 HH22 ARG 5 HH22 ARG 5 5.452 -6.381 10.560 68 H THR 6 HN THR 6 0.281 -6.339 9.916 69 HA THR 6 HA THR 6 -0.677 -5.551 7.274 70 HB THR 6 HB THR 6 0.302 -8.309 7.804 71 HG1 THR 6 HG1 THR 6 1.907 -5.988 7.966 72 HG21 THR 6 HG21 THR 6 -0.198 -7.732 5.533 73 HG22 THR 6 HG22 THR 6 1.547 -7.909 5.714 74 HG23 THR 6 HG23 THR 6 0.827 -6.301 5.629 75 H ALA 7 HN ALA 7 -2.912 -5.423 7.758 76 HA ALA 7 HA ALA 7 -4.241 -8.010 7.636 77 HB1 ALA 7 HB1 ALA 7 -4.198 -7.626 10.009 78 HB2 ALA 7 HB2 ALA 7 -5.843 -7.381 9.423 79 HB3 ALA 7 HB3 ALA 7 -4.824 -5.991 9.797 80 H PHE 8 HN PHE 8 -5.173 -7.698 5.696 81 HA PHE 8 HA PHE 8 -7.055 -5.453 5.460 82 HD1 PHE 8 HD1 PHE 8 -3.438 -5.923 5.189 83 HD2 PHE 8 HD2 PHE 8 -5.848 -2.953 3.325 84 HE1 PHE 8 HE1 PHE 8 -1.832 -4.193 5.881 85 HE2 PHE 8 HE2 PHE 8 -4.247 -1.216 4.014 86 HZ PHE 8 HZ PHE 8 -2.235 -1.835 5.293 87 HB2 PHE 8 HB2 PHE 8 -5.178 -6.390 3.279 88 HB3 PHE 8 HB1 PHE 8 -6.428 -5.164 3.096 89 H SER 9 HN SER 9 -8.394 -5.877 3.295 90 HA SER 9 HA SER 9 -9.345 -8.657 3.490 91 HG SER 9 HG SER 9 -12.042 -5.993 2.145 92 HB2 SER 9 HB2 SER 9 -11.531 -7.921 3.122 93 HB3 SER 9 HB1 SER 9 -10.859 -6.626 4.112 94 H SER 10 HN SER 10 -10.241 -9.599 1.506 95 HA SER 10 HA SER 10 -8.455 -9.589 -0.609 96 HG SER 10 HG SER 10 -9.983 -12.467 -0.534 97 HB2 SER 10 HB2 SER 10 -11.390 -10.320 -0.729 98 HB3 SER 10 HB1 SER 10 -10.143 -10.840 -1.862 99 H GLU 11 HN GLU 11 -11.545 -7.863 -0.326 100 HA GLU 11 HA GLU 11 -11.475 -6.696 -2.898 101 HB2 GLU 11 HB2 GLU 11 -13.487 -6.914 -1.386 102 HB3 GLU 11 HB1 GLU 11 -12.847 -5.565 -0.459 103 HG2 GLU 11 HG2 GLU 11 -14.379 -4.566 -1.872 104 HG3 GLU 11 HG1 GLU 11 -12.840 -4.296 -2.687 105 H GLN 12 HN GLN 12 -10.337 -5.577 0.263 106 HA GLN 12 HA GLN 12 -9.639 -2.966 -0.568 107 HB2 GLN 12 HB2 GLN 12 -8.566 -4.648 1.703 108 HB3 GLN 12 HB1 GLN 12 -8.236 -2.934 1.490 109 HG2 GLN 12 HG2 GLN 12 -10.472 -2.344 1.908 110 HG3 GLN 12 HG1 GLN 12 -11.028 -4.007 1.724 111 HE21 GLN 12 HE21 GLN 12 -11.686 -2.478 3.924 112 HE22 GLN 12 HE22 GLN 12 -10.909 -3.128 5.323 113 H LEU 13 HN LEU 13 -7.765 -5.967 -0.294 114 HA LEU 13 HA LEU 13 -5.309 -4.839 -1.132 115 HG LEU 13 HG LEU 13 -5.185 -7.035 1.115 116 HB2 LEU 13 HB2 LEU 13 -6.396 -7.576 -0.777 117 HB3 LEU 13 HB1 LEU 13 -5.014 -7.416 -1.838 118 HD11 LEU 13 HD11 LEU 13 -3.409 -8.500 1.174 119 HD12 LEU 13 HD12 LEU 13 -2.859 -8.064 -0.445 120 HD13 LEU 13 HD13 LEU 13 -4.294 -9.069 -0.242 121 HD21 LEU 13 HD21 LEU 13 -2.920 -5.913 0.983 122 HD22 LEU 13 HD22 LEU 13 -4.309 -4.910 0.567 123 HD23 LEU 13 HD23 LEU 13 -3.289 -5.576 -0.709 124 H ALA 14 HN ALA 14 -8.006 -6.312 -2.828 125 HA ALA 14 HA ALA 14 -6.821 -6.588 -5.352 126 HB1 ALA 14 HB1 ALA 14 -9.119 -7.413 -4.470 127 HB2 ALA 14 HB2 ALA 14 -8.946 -6.995 -6.174 128 HB3 ALA 14 HB3 ALA 14 -9.706 -5.859 -5.060 129 H ARG 15 HN ARG 15 -8.592 -3.886 -3.890 130 HA ARG 15 HA ARG 15 -8.496 -2.194 -6.155 131 HE ARG 15 HE ARG 15 -12.499 -1.967 -6.510 132 HB2 ARG 15 HB2 ARG 15 -9.582 -2.083 -3.573 133 HB3 ARG 15 HB1 ARG 15 -8.469 -0.725 -3.659 134 HG2 ARG 15 HG2 ARG 15 -10.092 0.406 -4.657 135 HG3 ARG 15 HG1 ARG 15 -9.844 -0.629 -6.063 136 HD2 ARG 15 HD2 ARG 15 -11.411 -2.219 -4.530 137 HD3 ARG 15 HD1 ARG 15 -12.007 -0.626 -4.066 138 HH11 ARG 15 HH11 ARG 15 -11.887 1.210 -5.203 139 HH12 ARG 15 HH12 ARG 15 -12.737 2.031 -6.468 140 HH21 ARG 15 HH21 ARG 15 -13.618 -0.890 -8.174 141 HH22 ARG 15 HH22 ARG 15 -13.721 0.838 -8.155 142 H LEU 16 HN LEU 16 -6.492 -2.308 -3.218 143 HA LEU 16 HA LEU 16 -4.709 -0.269 -3.931 144 HG LEU 16 HG LEU 16 -5.942 -0.686 -1.564 145 HB2 LEU 16 HB2 LEU 16 -4.298 -2.701 -2.190 146 HB3 LEU 16 HB1 LEU 16 -3.153 -1.380 -2.313 147 HD11 LEU 16 HD11 LEU 16 -4.005 -2.078 0.276 148 HD12 LEU 16 HD12 LEU 16 -5.620 -2.617 -0.179 149 HD13 LEU 16 HD13 LEU 16 -5.420 -1.175 0.816 150 HD21 LEU 16 HD21 LEU 16 -3.900 0.870 -1.874 151 HD22 LEU 16 HD22 LEU 16 -3.399 0.257 -0.299 152 HD23 LEU 16 HD23 LEU 16 -4.941 1.096 -0.469 153 H LYS 17 HN LYS 17 -4.712 -3.717 -4.638 154 HA LYS 17 HA LYS 17 -2.129 -3.894 -5.734 155 HB2 LYS 17 HB2 LYS 17 -4.570 -5.549 -5.727 156 HB3 LYS 17 HB1 LYS 17 -3.504 -5.806 -7.101 157 HG2 LYS 17 HG2 LYS 17 -1.713 -6.463 -5.723 158 HG3 LYS 17 HG1 LYS 17 -2.510 -5.857 -4.269 159 HD2 LYS 17 HD2 LYS 17 -2.713 -8.230 -4.250 160 HD3 LYS 17 HD1 LYS 17 -4.300 -7.574 -4.653 161 HE2 LYS 17 HE2 LYS 17 -3.716 -9.499 -6.057 162 HE3 LYS 17 HE1 LYS 17 -3.920 -8.026 -7.005 163 HZ1 LYS 17 HZ1 LYS 17 -1.582 -7.797 -7.213 164 HZ2 LYS 17 HZ2 LYS 17 -1.952 -9.398 -7.613 165 HZ3 LYS 17 HZ3 LYS 17 -1.282 -9.038 -6.102 166 H ARG 18 HN ARG 18 -5.279 -3.211 -7.210 167 HA ARG 18 HA ARG 18 -4.420 -3.126 -9.881 168 HE ARG 18 HE ARG 18 -9.445 -0.948 -11.617 169 HB2 ARG 18 HB2 ARG 18 -6.807 -3.169 -9.062 170 HB3 ARG 18 HB1 ARG 18 -6.637 -1.461 -8.684 171 HG2 ARG 18 HG2 ARG 18 -5.772 -1.745 -11.333 172 HG3 ARG 18 HG1 ARG 18 -7.233 -2.724 -11.189 173 HD2 ARG 18 HD2 ARG 18 -8.019 -0.512 -9.874 174 HD3 ARG 18 HD1 ARG 18 -6.877 0.202 -11.011 175 HH11 ARG 18 HH11 ARG 18 -6.311 -0.088 -12.891 176 HH12 ARG 18 HH12 ARG 18 -6.869 0.025 -14.526 177 HH21 ARG 18 HH21 ARG 18 -10.178 -0.801 -13.767 178 HH22 ARG 18 HH22 ARG 18 -9.064 -0.380 -15.024 179 H GLU 19 HN GLU 19 -4.694 -0.574 -7.433 180 HA GLU 19 HA GLU 19 -3.830 1.539 -9.102 181 HB2 GLU 19 HB2 GLU 19 -4.301 1.131 -6.223 182 HB3 GLU 19 HB1 GLU 19 -3.092 2.350 -6.600 183 HG2 GLU 19 HG2 GLU 19 -5.353 2.726 -8.298 184 HG3 GLU 19 HG1 GLU 19 -5.897 2.599 -6.626 185 H PHE 20 HN PHE 20 -2.127 -0.676 -6.950 186 HA PHE 20 HA PHE 20 0.416 0.535 -7.135 187 HD1 PHE 20 HD2 PHE 20 1.945 -0.031 -4.803 188 HD2 PHE 20 HD1 PHE 20 1.717 -3.421 -7.364 189 HE1 PHE 20 HE2 PHE 20 4.341 -0.458 -4.443 190 HE2 PHE 20 HE1 PHE 20 4.112 -3.856 -7.008 191 HZ PHE 20 HZ PHE 20 5.428 -2.373 -5.546 192 HB2 PHE 20 HB2 PHE 20 -0.211 -1.099 -5.386 193 HB3 PHE 20 HB1 PHE 20 -0.261 -2.367 -6.606 194 H ASN 21 HN ASN 21 -1.259 -1.833 -9.106 195 HA ASN 21 HA ASN 21 0.938 -2.684 -10.652 196 HB2 ASN 21 HB2 ASN 21 -1.970 -2.961 -10.724 197 HB3 ASN 21 HB1 ASN 21 -1.254 -2.894 -12.331 198 HD21 ASN 21 HD21 ASN 21 -0.491 -4.710 -13.139 199 HD22 ASN 21 HD22 ASN 21 -0.124 -6.142 -12.244 200 H GLU 22 HN GLU 22 -1.127 0.121 -10.825 201 HA GLU 22 HA GLU 22 -0.229 0.875 -13.466 202 HB2 GLU 22 HB2 GLU 22 -1.785 2.518 -11.464 203 HB3 GLU 22 HB1 GLU 22 -1.624 2.830 -13.187 204 HG2 GLU 22 HG2 GLU 22 -2.965 0.980 -13.752 205 HG3 GLU 22 HG1 GLU 22 -2.875 0.321 -12.119 206 H ASN 23 HN ASN 23 0.406 1.813 -10.128 207 HA ASN 23 HA ASN 23 2.964 2.892 -10.868 208 HB2 ASN 23 HB2 ASN 23 2.462 5.131 -9.757 209 HB3 ASN 23 HB1 ASN 23 1.779 4.883 -11.361 210 HD21 ASN 23 HD21 ASN 23 1.143 5.547 -8.093 211 HD22 ASN 23 HD22 ASN 23 -0.581 5.583 -8.190 212 H ARG 24 HN ARG 24 4.304 2.242 -9.339 213 HA ARG 24 HA ARG 24 3.372 1.241 -6.835 214 HE ARG 24 HE ARG 24 6.713 -2.543 -9.589 215 HB2 ARG 24 HB2 ARG 24 6.230 1.784 -7.636 216 HB3 ARG 24 HB1 ARG 24 5.663 0.671 -6.398 217 HG2 ARG 24 HG2 ARG 24 4.428 -0.498 -8.342 218 HG3 ARG 24 HG1 ARG 24 5.545 0.400 -9.372 219 HD2 ARG 24 HD2 ARG 24 7.282 -0.588 -7.586 220 HD3 ARG 24 HD1 ARG 24 6.052 -1.847 -7.518 221 HH11 ARG 24 HH11 ARG 24 7.907 0.695 -9.072 222 HH12 ARG 24 HH12 ARG 24 8.849 0.713 -10.525 223 HH21 ARG 24 HH21 ARG 24 7.952 -2.521 -11.499 224 HH22 ARG 24 HH22 ARG 24 8.874 -1.113 -11.904 225 H TYR 25 HN TYR 25 3.828 4.367 -7.798 226 HA TYR 25 HA TYR 25 4.696 5.245 -5.131 227 HD1 TYR 25 HD1 TYR 25 6.957 4.916 -5.561 228 HD2 TYR 25 HD2 TYR 25 6.132 6.740 -9.315 229 HE1 TYR 25 HE1 TYR 25 9.001 3.914 -6.490 230 HE2 TYR 25 HE2 TYR 25 8.173 5.743 -10.255 231 HH TYR 25 HH TYR 25 9.750 3.256 -9.006 232 HB2 TYR 25 HB2 TYR 25 4.593 6.961 -7.611 233 HB3 TYR 25 HB1 TYR 25 5.439 7.287 -6.103 234 H LEU 26 HN LEU 26 3.300 6.294 -3.854 235 HA LEU 26 HA LEU 26 0.635 6.845 -4.928 236 HG LEU 26 HG LEU 26 0.609 4.400 -3.289 237 HB2 LEU 26 HB2 LEU 26 1.727 6.240 -2.228 238 HB3 LEU 26 HB1 LEU 26 0.289 7.234 -2.316 239 HD11 LEU 26 HD11 LEU 26 -1.189 5.643 -1.207 240 HD12 LEU 26 HD12 LEU 26 0.273 4.710 -0.874 241 HD13 LEU 26 HD13 LEU 26 -1.114 3.932 -1.636 242 HD21 LEU 26 HD21 LEU 26 -0.993 6.319 -4.481 243 HD22 LEU 26 HD22 LEU 26 -2.079 5.489 -3.369 244 HD23 LEU 26 HD23 LEU 26 -1.193 4.570 -4.587 245 H THR 27 HN THR 27 -0.438 8.659 -3.449 246 HA THR 27 HA THR 27 1.284 10.973 -3.112 247 HB THR 27 HB THR 27 0.138 12.395 -4.606 248 HG1 THR 27 HG1 THR 27 -1.717 10.686 -5.633 249 HG21 THR 27 HG21 THR 27 0.171 11.306 -6.808 250 HG22 THR 27 HG22 THR 27 0.380 9.746 -6.012 251 HG23 THR 27 HG23 THR 27 1.628 10.985 -5.866 252 H GLU 28 HN GLU 28 -0.052 12.828 -2.151 253 HA GLU 28 HA GLU 28 -1.379 11.939 0.130 254 HB2 GLU 28 HB2 GLU 28 -1.560 14.614 -1.271 255 HB3 GLU 28 HB1 GLU 28 -2.193 14.296 0.339 256 HG2 GLU 28 HG2 GLU 28 0.125 13.656 1.026 257 HG3 GLU 28 HG1 GLU 28 0.679 14.234 -0.544 258 H ARG 29 HN ARG 29 -2.744 13.268 -2.870 259 HA ARG 29 HA ARG 29 -5.443 12.982 -2.182 260 HE ARG 29 HE ARG 29 -8.254 14.304 -6.179 261 HB2 ARG 29 HB2 ARG 29 -4.396 14.245 -4.159 262 HB3 ARG 29 HB1 ARG 29 -4.402 12.695 -4.992 263 HG2 ARG 29 HG2 ARG 29 -6.576 12.832 -5.440 264 HG3 ARG 29 HG1 ARG 29 -6.971 13.311 -3.789 265 HD2 ARG 29 HD2 ARG 29 -6.886 15.530 -4.266 266 HD3 ARG 29 HD1 ARG 29 -5.630 15.329 -5.487 267 HH11 ARG 29 HH11 ARG 29 -6.002 16.966 -6.390 268 HH12 ARG 29 HH12 ARG 29 -6.762 17.659 -7.781 269 HH21 ARG 29 HH21 ARG 29 -9.253 15.220 -8.007 270 HH22 ARG 29 HH22 ARG 29 -8.608 16.670 -8.698 271 H ARG 30 HN ARG 30 -3.149 10.718 -3.620 272 HA ARG 30 HA ARG 30 -5.044 8.733 -4.311 273 HE ARG 30 HE ARG 30 -5.199 8.586 -6.832 274 HB2 ARG 30 HB2 ARG 30 -2.310 9.102 -4.659 275 HB3 ARG 30 HB1 ARG 30 -2.418 7.676 -3.636 276 HG2 ARG 30 HG2 ARG 30 -2.598 6.599 -5.594 277 HG3 ARG 30 HG1 ARG 30 -4.291 7.086 -5.483 278 HD2 ARG 30 HD2 ARG 30 -2.581 9.141 -6.644 279 HD3 ARG 30 HD1 ARG 30 -2.575 7.638 -7.565 280 HH11 ARG 30 HH11 ARG 30 -2.659 8.680 -9.225 281 HH12 ARG 30 HH12 ARG 30 -3.720 9.136 -10.514 282 HH21 ARG 30 HH21 ARG 30 -6.595 9.188 -8.528 283 HH22 ARG 30 HH22 ARG 30 -5.954 9.425 -10.120 284 H ARG 31 HN ARG 31 -2.878 9.063 -1.502 285 HA ARG 31 HA ARG 31 -3.664 6.731 -0.183 286 HE ARG 31 HE ARG 31 -0.125 8.938 2.378 287 HB2 ARG 31 HB2 ARG 31 -2.027 8.990 0.373 288 HB3 ARG 31 HB1 ARG 31 -3.096 8.761 1.748 289 HG2 ARG 31 HG2 ARG 31 -1.812 7.118 2.480 290 HG3 ARG 31 HG1 ARG 31 -2.100 6.217 0.990 291 HD2 ARG 31 HD2 ARG 31 0.287 6.542 1.373 292 HD3 ARG 31 HD1 ARG 31 -0.246 7.384 -0.081 293 HH11 ARG 31 HH11 ARG 31 1.388 8.085 -0.655 294 HH12 ARG 31 HH12 ARG 31 2.399 9.489 -0.683 295 HH21 ARG 31 HH21 ARG 31 1.210 10.779 2.337 296 HH22 ARG 31 HH22 ARG 31 2.300 11.015 1.012 297 H GLN 32 HN GLN 32 -4.833 10.062 0.241 298 HA GLN 32 HA GLN 32 -6.796 9.490 2.157 299 HB2 GLN 32 HB2 GLN 32 -5.905 11.766 1.509 300 HB3 GLN 32 HB1 GLN 32 -6.950 11.690 0.097 301 HG2 GLN 32 HG2 GLN 32 -7.985 11.422 2.903 302 HG3 GLN 32 HG1 GLN 32 -7.829 12.973 2.079 303 HE21 GLN 32 HE21 GLN 32 -8.675 12.553 -0.391 304 HE22 GLN 32 HE22 GLN 32 -10.310 11.996 -0.422 305 H GLN 33 HN GLN 33 -6.876 9.370 -1.358 306 HA GLN 33 HA GLN 33 -9.683 9.072 -1.608 307 HB2 GLN 33 HB2 GLN 33 -7.333 8.822 -3.368 308 HB3 GLN 33 HB1 GLN 33 -8.707 7.826 -3.827 309 HG2 GLN 33 HG2 GLN 33 -9.433 10.569 -3.159 310 HG3 GLN 33 HG1 GLN 33 -8.322 10.441 -4.522 311 HE21 GLN 33 HE21 GLN 33 -10.990 8.389 -3.408 312 HE22 GLN 33 HE22 GLN 33 -11.876 8.439 -4.890 313 H LEU 34 HN LEU 34 -7.037 6.694 -1.735 314 HA LEU 34 HA LEU 34 -8.721 4.435 -1.898 315 HG LEU 34 HG LEU 34 -7.331 3.929 -3.536 316 HB2 LEU 34 HB2 LEU 34 -5.846 4.914 -1.311 317 HB3 LEU 34 HB1 LEU 34 -6.515 3.357 -0.864 318 HD11 LEU 34 HD11 LEU 34 -5.480 4.548 -4.684 319 HD12 LEU 34 HD12 LEU 34 -4.377 3.811 -3.522 320 HD13 LEU 34 HD13 LEU 34 -5.116 5.371 -3.168 321 HD21 LEU 34 HD21 LEU 34 -6.677 1.787 -3.888 322 HD22 LEU 34 HD22 LEU 34 -6.705 1.755 -2.125 323 HD23 LEU 34 HD23 LEU 34 -5.178 1.975 -2.980 324 H SER 35 HN SER 35 -7.323 6.183 0.821 325 HA SER 35 HA SER 35 -7.911 4.332 2.843 326 HG SER 35 HG SER 35 -8.115 8.003 2.480 327 HB2 SER 35 HB2 SER 35 -7.371 6.024 4.362 328 HB3 SER 35 HB1 SER 35 -6.494 6.520 2.919 329 H SER 36 HN SER 36 -9.738 7.151 1.706 330 HA SER 36 HA SER 36 -11.974 6.690 3.398 331 HG SER 36 HG SER 36 -13.932 8.145 2.414 332 HB2 SER 36 HB2 SER 36 -11.199 8.853 2.116 333 HB3 SER 36 HB1 SER 36 -12.236 8.218 0.840 334 H GLU 37 HN GLU 37 -11.250 5.828 0.052 335 HA GLU 37 HA GLU 37 -13.803 4.918 -0.669 336 HB2 GLU 37 HB2 GLU 37 -11.672 5.349 -2.107 337 HB3 GLU 37 HB1 GLU 37 -11.319 3.660 -1.772 338 HG2 GLU 37 HG2 GLU 37 -12.427 3.580 -3.797 339 HG3 GLU 37 HG1 GLU 37 -13.699 3.212 -2.633 340 H LEU 38 HN LEU 38 -10.970 2.971 0.313 341 HA LEU 38 HA LEU 38 -12.654 0.641 0.648 342 HG LEU 38 HG LEU 38 -10.220 1.396 -1.145 343 HB2 LEU 38 HB2 LEU 38 -9.723 0.960 1.281 344 HB3 LEU 38 HB1 LEU 38 -10.606 -0.547 1.129 345 HD11 LEU 38 HD11 LEU 38 -8.108 0.699 -1.211 346 HD12 LEU 38 HD12 LEU 38 -8.743 -0.876 -1.685 347 HD13 LEU 38 HD13 LEU 38 -8.395 -0.539 0.011 348 HD21 LEU 38 HD21 LEU 38 -12.001 0.127 -1.801 349 HD22 LEU 38 HD22 LEU 38 -11.519 -1.259 -0.823 350 HD23 LEU 38 HD23 LEU 38 -10.683 -0.915 -2.337 351 H GLY 39 HN GLY 39 -11.695 3.237 2.598 352 HA2 GLY 39 HA2 GLY 39 -12.290 3.664 4.794 353 HA3 GLY 39 HA1 GLY 39 -12.916 2.026 4.909 354 H LEU 40 HN LEU 40 -9.657 2.743 3.856 355 HA LEU 40 HA LEU 40 -8.653 1.386 6.261 356 HG LEU 40 HG LEU 40 -9.221 0.090 3.785 357 HB2 LEU 40 HB2 LEU 40 -7.279 1.877 3.617 358 HB3 LEU 40 HB1 LEU 40 -6.622 0.963 4.961 359 HD11 LEU 40 HD11 LEU 40 -7.465 0.569 1.953 360 HD12 LEU 40 HD12 LEU 40 -8.276 -0.998 1.968 361 HD13 LEU 40 HD13 LEU 40 -6.637 -0.846 2.603 362 HD21 LEU 40 HD21 LEU 40 -8.505 -1.084 5.720 363 HD22 LEU 40 HD22 LEU 40 -6.867 -1.257 5.090 364 HD23 LEU 40 HD23 LEU 40 -8.198 -2.138 4.340 365 H ASN 41 HN ASN 41 -6.390 2.128 6.925 366 HA ASN 41 HA ASN 41 -6.526 4.971 7.431 367 HB2 ASN 41 HB2 ASN 41 -5.550 2.791 8.848 368 HB3 ASN 41 HB1 ASN 41 -4.094 3.639 8.337 369 HD21 ASN 41 HD21 ASN 41 -7.308 4.796 9.273 370 HD22 ASN 41 HD22 ASN 41 -6.756 5.817 10.554 371 H GLU 42 HN GLU 42 -5.359 6.525 6.462 372 HA GLU 42 HA GLU 42 -4.116 6.187 4.029 373 HB2 GLU 42 HB2 GLU 42 -4.013 8.317 6.115 374 HB3 GLU 42 HB1 GLU 42 -2.863 8.396 4.788 375 HG2 GLU 42 HG2 GLU 42 -4.508 9.599 3.836 376 HG3 GLU 42 HG1 GLU 42 -5.097 8.000 3.384 377 H ALA 43 HN ALA 43 -2.660 6.148 7.248 378 HA ALA 43 HA ALA 43 0.029 6.007 6.410 379 HB1 ALA 43 HB1 ALA 43 0.452 5.133 8.704 380 HB2 ALA 43 HB2 ALA 43 -1.292 5.086 8.958 381 HB3 ALA 43 HB3 ALA 43 -0.484 6.626 8.668 382 H GLN 44 HN GLN 44 -2.442 3.557 6.919 383 HA GLN 44 HA GLN 44 -0.695 1.319 6.762 384 HB2 GLN 44 HB2 GLN 44 -3.667 1.503 6.235 385 HB3 GLN 44 HB1 GLN 44 -2.762 0.008 6.424 386 HG2 GLN 44 HG2 GLN 44 -2.904 2.120 8.554 387 HG3 GLN 44 HG1 GLN 44 -4.045 0.782 8.438 388 HE21 GLN 44 HE21 GLN 44 -1.878 1.607 10.394 389 HE22 GLN 44 HE22 GLN 44 -0.963 0.161 10.635 390 H ILE 45 HN ILE 45 -2.494 3.199 4.407 391 HA ILE 45 HA ILE 45 -2.114 1.434 2.217 392 HB ILE 45 HB ILE 45 -2.524 4.425 2.102 393 HG12 ILE 45 HG12 ILE 45 -4.785 2.531 1.730 394 HG13 ILE 45 HG11 ILE 45 -4.212 2.772 3.378 395 HG21 ILE 45 HG21 ILE 45 -1.897 2.737 0.069 396 HG22 ILE 45 HG22 ILE 45 -2.817 4.232 -0.116 397 HG23 ILE 45 HG23 ILE 45 -3.660 2.689 0.028 398 HD11 ILE 45 HD11 ILE 45 -5.382 4.638 3.504 399 HD12 ILE 45 HD12 ILE 45 -5.942 4.402 1.849 400 HD13 ILE 45 HD13 ILE 45 -4.467 5.317 2.159 401 H LYS 46 HN LYS 46 -0.400 4.342 3.323 402 HA LYS 46 HA LYS 46 1.509 4.462 1.285 403 HB2 LYS 46 HB2 LYS 46 0.936 6.022 3.402 404 HB3 LYS 46 HB1 LYS 46 2.373 5.216 4.020 405 HG2 LYS 46 HG2 LYS 46 3.091 5.968 1.459 406 HG3 LYS 46 HG1 LYS 46 2.125 7.323 2.048 407 HD2 LYS 46 HD2 LYS 46 3.735 6.695 4.203 408 HD3 LYS 46 HD1 LYS 46 4.798 6.459 2.815 409 HE2 LYS 46 HE2 LYS 46 3.351 8.851 2.377 410 HE3 LYS 46 HE1 LYS 46 3.951 8.896 4.034 411 HZ1 LYS 46 HZ1 LYS 46 6.028 9.191 3.334 412 HZ2 LYS 46 HZ2 LYS 46 5.375 9.536 1.813 413 HZ3 LYS 46 HZ3 LYS 46 5.917 7.973 2.163 414 H ILE 47 HN ILE 47 1.612 2.801 4.431 415 HA ILE 47 HA ILE 47 4.235 1.792 4.156 416 HB ILE 47 HB ILE 47 1.941 0.627 5.744 417 HG12 ILE 47 HG12 ILE 47 4.171 2.317 6.843 418 HG13 ILE 47 HG11 ILE 47 2.731 3.067 6.163 419 HG21 ILE 47 HG21 ILE 47 3.445 -1.087 5.807 420 HG22 ILE 47 HG22 ILE 47 4.062 -0.112 7.141 421 HG23 ILE 47 HG23 ILE 47 4.833 -0.027 5.557 422 HD11 ILE 47 HD11 ILE 47 2.299 0.940 8.163 423 HD12 ILE 47 HD12 ILE 47 1.427 2.450 7.901 424 HD13 ILE 47 HD13 ILE 47 2.977 2.461 8.741 425 H TRP 48 HN TRP 48 1.073 0.503 3.256 426 HA TRP 48 HA TRP 48 1.899 -2.070 2.506 427 HD1 TRP 48 HD1 TRP 48 -0.513 -4.097 2.436 428 HE1 TRP 48 HE1 TRP 48 -1.116 -5.522 0.378 429 HE3 TRP 48 HE3 TRP 48 -0.247 -0.476 -1.164 430 HZ2 TRP 48 HZ2 TRP 48 -1.442 -5.158 -2.404 431 HZ3 TRP 48 HZ3 TRP 48 -0.716 -1.097 -3.495 432 HH2 TRP 48 HH2 TRP 48 -1.299 -3.388 -4.101 433 HB2 TRP 48 HB2 TRP 48 -0.463 -1.443 2.814 434 HB3 TRP 48 HB1 TRP 48 -0.378 -0.423 1.381 435 H PHE 49 HN PHE 49 1.631 0.931 0.635 436 HA PHE 49 HA PHE 49 2.354 -0.173 -1.856 437 HD1 PHE 49 HD2 PHE 49 -0.295 1.558 -1.186 438 HD2 PHE 49 HD1 PHE 49 2.546 2.427 -4.232 439 HE1 PHE 49 HE2 PHE 49 -2.104 1.614 -2.852 440 HE2 PHE 49 HE1 PHE 49 0.742 2.487 -5.902 441 HZ PHE 49 HZ PHE 49 -1.587 2.079 -5.214 442 HB2 PHE 49 HB2 PHE 49 2.026 2.517 -0.716 443 HB3 PHE 49 HB1 PHE 49 3.219 2.430 -2.008 444 H GLN 50 HN GLN 50 4.278 1.472 0.639 445 HA GLN 50 HA GLN 50 6.749 1.316 -0.703 446 HB2 GLN 50 HB2 GLN 50 6.038 1.562 2.218 447 HB3 GLN 50 HB1 GLN 50 7.702 1.563 1.649 448 HG2 GLN 50 HG2 GLN 50 7.362 3.564 0.411 449 HG3 GLN 50 HG1 GLN 50 5.621 3.504 0.682 450 HE21 GLN 50 HE21 GLN 50 8.722 4.202 2.083 451 HE22 GLN 50 HE22 GLN 50 8.132 5.024 3.484 452 H ASN 51 HN ASN 51 5.118 -0.877 1.531 453 HA ASN 51 HA ASN 51 7.279 -2.701 1.792 454 HB2 ASN 51 HB2 ASN 51 4.430 -2.613 2.564 455 HB3 ASN 51 HB1 ASN 51 5.085 -4.229 2.312 456 HD21 ASN 51 HD21 ASN 51 6.129 -1.176 3.799 457 HD22 ASN 51 HD22 ASN 51 6.730 -1.894 5.250 458 H LYS 52 HN LYS 52 4.521 -2.469 -0.392 459 HA LYS 52 HA LYS 52 4.874 -4.994 -1.629 460 HB2 LYS 52 HB2 LYS 52 3.007 -2.942 -1.776 461 HB3 LYS 52 HB1 LYS 52 3.738 -2.952 -3.372 462 HG2 LYS 52 HG2 LYS 52 1.807 -4.365 -3.386 463 HG3 LYS 52 HG1 LYS 52 3.249 -5.370 -3.536 464 HD2 LYS 52 HD2 LYS 52 3.124 -5.993 -1.219 465 HD3 LYS 52 HD1 LYS 52 1.808 -4.852 -0.938 466 HE2 LYS 52 HE2 LYS 52 0.253 -6.225 -1.830 467 HE3 LYS 52 HE1 LYS 52 1.349 -6.828 -3.074 468 HZ1 LYS 52 HZ1 LYS 52 1.152 -7.701 -0.250 469 HZ2 LYS 52 HZ2 LYS 52 2.460 -8.112 -1.241 470 HZ3 LYS 52 HZ3 LYS 52 0.900 -8.625 -1.643 471 H ARG 53 HN ARG 53 6.167 -1.789 -2.244 472 HA ARG 53 HA ARG 53 7.301 -2.301 -4.772 473 HE ARG 53 HE ARG 53 9.722 0.162 -7.066 474 HB2 ARG 53 HB2 ARG 53 7.001 -0.092 -3.233 475 HB3 ARG 53 HB1 ARG 53 8.714 -0.406 -2.998 476 HG2 ARG 53 HG2 ARG 53 8.075 -0.637 -5.777 477 HG3 ARG 53 HG1 ARG 53 7.472 0.898 -5.151 478 HD2 ARG 53 HD2 ARG 53 9.534 1.736 -4.936 479 HD3 ARG 53 HD1 ARG 53 10.147 0.256 -4.200 480 HH11 ARG 53 HH11 ARG 53 11.988 0.701 -4.461 481 HH12 ARG 53 HH12 ARG 53 13.378 0.385 -5.443 482 HH21 ARG 53 HH21 ARG 53 11.552 -0.250 -8.353 483 HH22 ARG 53 HH22 ARG 53 13.132 -0.154 -7.650 484 H ALA 54 HN ALA 54 8.464 -2.822 -1.499 485 HA ALA 54 HA ALA 54 11.167 -3.311 -2.099 486 HB1 ALA 54 HB1 ALA 54 9.411 -4.173 0.179 487 HB2 ALA 54 HB2 ALA 54 10.633 -2.901 0.153 488 HB3 ALA 54 HB3 ALA 54 11.120 -4.595 0.091 489 H LYS 55 HN LYS 55 8.361 -5.454 -2.020 490 HA LYS 55 HA LYS 55 9.938 -7.808 -2.512 491 HB2 LYS 55 HB2 LYS 55 7.694 -8.910 -2.805 492 HB3 LYS 55 HB1 LYS 55 7.959 -8.144 -1.246 493 HG2 LYS 55 HG2 LYS 55 6.690 -6.163 -2.108 494 HG3 LYS 55 HG1 LYS 55 6.285 -7.129 -3.528 495 HD2 LYS 55 HD2 LYS 55 4.466 -7.276 -1.975 496 HD3 LYS 55 HD1 LYS 55 5.298 -8.832 -1.997 497 HE2 LYS 55 HE2 LYS 55 6.324 -8.434 0.081 498 HE3 LYS 55 HE1 LYS 55 5.952 -6.710 0.027 499 HZ1 LYS 55 HZ1 LYS 55 4.508 -7.889 1.565 500 HZ2 LYS 55 HZ2 LYS 55 3.961 -8.896 0.321 501 HZ3 LYS 55 HZ3 LYS 55 3.611 -7.242 0.283 502 H ILE 56 HN ILE 56 9.372 -5.330 -4.501 503 HA ILE 56 HA ILE 56 8.550 -6.809 -6.853 504 HB ILE 56 HB ILE 56 9.552 -3.964 -6.679 505 HG12 ILE 56 HG12 ILE 56 7.594 -4.154 -5.299 506 HG13 ILE 56 HG11 ILE 56 7.125 -3.369 -6.802 507 HG21 ILE 56 HG21 ILE 56 7.891 -5.284 -8.816 508 HG22 ILE 56 HG22 ILE 56 9.637 -5.054 -8.914 509 HG23 ILE 56 HG23 ILE 56 8.565 -3.656 -8.838 510 HD11 ILE 56 HD11 ILE 56 6.727 -6.291 -6.213 511 HD12 ILE 56 HD12 ILE 56 6.128 -5.393 -7.609 512 HD13 ILE 56 HD13 ILE 56 5.498 -5.044 -5.998 513 H LYS 57 HN LYS 57 11.330 -4.635 -6.351 514 HA LYS 57 HA LYS 57 13.352 -6.493 -6.821 515 HB2 LYS 57 HB2 LYS 57 11.968 -6.204 -9.129 516 HB3 LYS 57 HB1 LYS 57 13.152 -4.918 -9.318 517 HG2 LYS 57 HG2 LYS 57 14.520 -6.470 -10.120 518 HG3 LYS 57 HG1 LYS 57 14.662 -7.063 -8.464 519 HD2 LYS 57 HD2 LYS 57 12.922 -8.667 -8.817 520 HD3 LYS 57 HD1 LYS 57 12.530 -7.973 -10.392 521 HE2 LYS 57 HE2 LYS 57 13.804 -9.756 -11.046 522 HE3 LYS 57 HE1 LYS 57 15.056 -8.525 -10.887 523 HZ1 LYS 57 HZ1 LYS 57 16.006 -10.160 -9.671 524 HZ2 LYS 57 HZ2 LYS 57 14.536 -10.872 -9.236 525 HZ3 LYS 57 HZ3 LYS 57 15.072 -9.484 -8.434 526 H LYS 58 HN LYS 58 14.398 -5.274 -5.271 527 HA LYS 58 HA LYS 58 14.705 -2.495 -5.279 528 HB2 LYS 58 HB2 LYS 58 16.693 -4.483 -4.177 529 HB3 LYS 58 HB1 LYS 58 16.457 -2.819 -3.662 530 HG2 LYS 58 HG2 LYS 58 14.800 -3.369 -2.280 531 HG3 LYS 58 HG1 LYS 58 14.029 -4.410 -3.478 532 HD2 LYS 58 HD2 LYS 58 15.767 -6.141 -2.961 533 HD3 LYS 58 HD1 LYS 58 16.310 -5.111 -1.634 534 HE2 LYS 58 HE2 LYS 58 13.421 -5.795 -1.796 535 HE3 LYS 58 HE1 LYS 58 14.543 -7.047 -1.266 536 HZ1 LYS 58 HZ1 LYS 58 14.932 -5.998 0.669 537 HZ2 LYS 58 HZ2 LYS 58 13.435 -5.268 0.371 538 HZ3 LYS 58 HZ3 LYS 58 14.865 -4.450 -0.010 539 H SER 59 HN SER 59 16.406 -1.146 -5.924 540 HA SER 59 HA SER 59 18.706 -2.048 -7.298 541 HG SER 59 HG SER 59 15.625 -1.450 -9.806 542 HB2 SER 59 HB2 SER 59 18.027 -1.084 -9.564 543 HB3 SER 59 HB1 SER 59 17.318 -2.640 -9.130 Start of MODEL 6 1 HA MET -1 HA MET -1 15.803 -14.685 13.680 2 H1 MET -1 HT1 MET -1 16.077 -14.630 15.944 3 H2 MET -1 HT2 MET -1 16.169 -16.291 15.523 4 H3 MET -1 HT3 MET -1 14.738 -15.662 16.231 5 HB2 MET -1 HB2 MET -1 15.094 -17.279 14.085 6 HB3 MET -1 HB1 MET -1 13.533 -16.577 13.681 7 HG2 MET -1 HG2 MET -1 14.231 -15.945 11.553 8 HG3 MET -1 HG1 MET -1 15.937 -16.092 11.968 9 HE1 MET -1 HE1 MET -1 15.187 -17.398 9.238 10 HE2 MET -1 HE2 MET -1 13.513 -17.346 9.789 11 HE3 MET -1 HE3 MET -1 14.234 -18.880 9.304 12 H ASP 0 HN ASP 0 13.869 -13.931 12.357 13 HA ASP 0 HA ASP 0 12.350 -12.100 13.980 14 HB2 ASP 0 HB2 ASP 0 13.377 -11.883 11.505 15 HB3 ASP 0 HB1 ASP 0 11.740 -12.381 11.088 16 H GLU 1 HN GLU 1 10.132 -12.027 14.245 17 HA GLU 1 HA GLU 1 8.600 -14.344 13.278 18 HB2 GLU 1 HB2 GLU 1 8.309 -13.195 16.054 19 HB3 GLU 1 HB1 GLU 1 7.552 -14.646 15.411 20 HG2 GLU 1 HG2 GLU 1 10.406 -14.841 15.189 21 HG3 GLU 1 HG1 GLU 1 9.944 -14.447 16.845 22 H LYS 2 HN LYS 2 6.428 -13.974 12.838 23 HA LYS 2 HA LYS 2 5.756 -11.256 12.211 24 HB2 LYS 2 HB2 LYS 2 4.676 -13.925 11.639 25 HB3 LYS 2 HB1 LYS 2 3.442 -12.687 11.833 26 HG2 LYS 2 HG2 LYS 2 4.387 -11.371 10.079 27 HG3 LYS 2 HG1 LYS 2 5.795 -12.429 9.976 28 HD2 LYS 2 HD2 LYS 2 4.413 -14.255 9.198 29 HD3 LYS 2 HD1 LYS 2 2.956 -13.283 9.412 30 HE2 LYS 2 HE2 LYS 2 3.373 -11.999 7.562 31 HE3 LYS 2 HE1 LYS 2 5.119 -12.215 7.672 32 HZ1 LYS 2 HZ1 LYS 2 3.444 -13.515 5.959 33 HZ2 LYS 2 HZ2 LYS 2 3.749 -14.673 7.154 34 HZ3 LYS 2 HZ3 LYS 2 5.036 -13.960 6.320 35 H ARG 3 HN ARG 3 4.234 -9.944 13.155 36 HA ARG 3 HA ARG 3 2.808 -10.947 15.508 37 HE ARG 3 HE ARG 3 6.325 -8.518 18.274 38 HB2 ARG 3 HB2 ARG 3 4.529 -8.461 15.487 39 HB3 ARG 3 HB1 ARG 3 3.451 -8.930 16.794 40 HG2 ARG 3 HG2 ARG 3 5.007 -10.226 17.682 41 HG3 ARG 3 HG1 ARG 3 5.200 -11.108 16.166 42 HD2 ARG 3 HD2 ARG 3 7.275 -10.254 16.185 43 HD3 ARG 3 HD1 ARG 3 6.492 -8.786 15.599 44 HH11 ARG 3 HH11 ARG 3 8.988 -9.254 16.141 45 HH12 ARG 3 HH12 ARG 3 10.176 -8.524 17.168 46 HH21 ARG 3 HH21 ARG 3 7.886 -7.557 19.625 47 HH22 ARG 3 HH22 ARG 3 9.550 -7.562 19.147 48 HA PRO 4 HA PRO 4 -0.724 -8.754 14.079 49 HB2 PRO 4 HB2 PRO 4 -0.894 -7.533 16.792 50 HB3 PRO 4 HB1 PRO 4 -2.121 -8.416 15.877 51 HG2 PRO 4 HG2 PRO 4 -0.855 -9.572 17.912 52 HG3 PRO 4 HG1 PRO 4 -1.242 -10.487 16.443 53 HD2 PRO 4 HD2 PRO 4 1.374 -9.371 17.350 54 HD3 PRO 4 HD1 PRO 4 1.030 -10.880 16.480 55 H ARG 5 HN ARG 5 -0.998 -6.903 12.987 56 HA ARG 5 HA ARG 5 -0.022 -4.385 14.010 57 HE ARG 5 HE ARG 5 1.938 -5.252 8.298 58 HB2 ARG 5 HB2 ARG 5 1.398 -3.877 12.087 59 HB3 ARG 5 HB1 ARG 5 1.993 -5.287 12.950 60 HG2 ARG 5 HG2 ARG 5 1.001 -6.747 11.267 61 HG3 ARG 5 HG1 ARG 5 0.387 -5.336 10.404 62 HD2 ARG 5 HD2 ARG 5 2.855 -4.572 10.383 63 HD3 ARG 5 HD1 ARG 5 3.216 -6.256 10.747 64 HH11 ARG 5 HH11 ARG 5 3.494 -7.850 10.051 65 HH12 ARG 5 HH12 ARG 5 3.689 -8.839 8.645 66 HH21 ARG 5 HH21 ARG 5 2.196 -6.561 6.461 67 HH22 ARG 5 HH22 ARG 5 2.954 -8.111 6.612 68 H THR 6 HN THR 6 -1.350 -6.119 11.214 69 HA THR 6 HA THR 6 -3.655 -4.496 11.085 70 HB THR 6 HB THR 6 -2.320 -2.754 10.192 71 HG1 THR 6 HG1 THR 6 -3.405 -2.451 8.391 72 HG21 THR 6 HG21 THR 6 -1.029 -3.317 7.976 73 HG22 THR 6 HG22 THR 6 -0.923 -4.914 8.715 74 HG23 THR 6 HG23 THR 6 -0.271 -3.508 9.556 75 H ALA 7 HN ALA 7 -5.195 -5.332 9.697 76 HA ALA 7 HA ALA 7 -4.370 -7.644 8.069 77 HB1 ALA 7 HB1 ALA 7 -6.481 -7.467 10.158 78 HB2 ALA 7 HB2 ALA 7 -5.366 -8.782 9.787 79 HB3 ALA 7 HB3 ALA 7 -6.767 -8.495 8.754 80 H PHE 8 HN PHE 8 -5.035 -7.572 6.024 81 HA PHE 8 HA PHE 8 -7.112 -5.613 5.311 82 HD1 PHE 8 HD2 PHE 8 -3.557 -6.041 5.750 83 HD2 PHE 8 HD1 PHE 8 -5.524 -3.397 3.057 84 HE1 PHE 8 HE2 PHE 8 -2.089 -4.208 6.483 85 HE2 PHE 8 HE1 PHE 8 -4.059 -1.559 3.785 86 HZ PHE 8 HZ PHE 8 -2.338 -1.963 5.501 87 HB2 PHE 8 HB2 PHE 8 -4.908 -6.787 3.602 88 HB3 PHE 8 HB1 PHE 8 -6.105 -5.616 3.058 89 H SER 9 HN SER 9 -8.246 -6.239 3.172 90 HA SER 9 HA SER 9 -9.063 -9.063 3.369 91 HG SER 9 HG SER 9 -11.392 -5.935 2.408 92 HB2 SER 9 HB2 SER 9 -11.282 -8.466 2.914 93 HB3 SER 9 HB1 SER 9 -10.732 -7.171 3.977 94 H SER 10 HN SER 10 -9.798 -10.072 1.371 95 HA SER 10 HA SER 10 -7.982 -9.885 -0.712 96 HG SER 10 HG SER 10 -8.996 -12.006 0.538 97 HB2 SER 10 HB2 SER 10 -10.767 -10.796 -1.310 98 HB3 SER 10 HB1 SER 10 -9.227 -11.517 -1.777 99 H GLU 11 HN GLU 11 -11.188 -8.406 -0.416 100 HA GLU 11 HA GLU 11 -11.241 -7.244 -2.991 101 HB2 GLU 11 HB2 GLU 11 -13.123 -7.575 -1.167 102 HB3 GLU 11 HB1 GLU 11 -12.644 -5.952 -0.692 103 HG2 GLU 11 HG2 GLU 11 -14.473 -5.746 -2.179 104 HG3 GLU 11 HG1 GLU 11 -13.028 -5.231 -3.050 105 H GLN 12 HN GLN 12 -10.124 -6.065 0.150 106 HA GLN 12 HA GLN 12 -9.587 -3.414 -0.690 107 HB2 GLN 12 HB2 GLN 12 -8.571 -5.082 1.605 108 HB3 GLN 12 HB1 GLN 12 -8.046 -3.423 1.352 109 HG2 GLN 12 HG2 GLN 12 -10.206 -2.574 1.727 110 HG3 GLN 12 HG1 GLN 12 -10.942 -4.170 1.589 111 HE21 GLN 12 HE21 GLN 12 -11.254 -2.328 3.742 112 HE22 GLN 12 HE22 GLN 12 -10.633 -3.088 5.165 113 H LEU 13 HN LEU 13 -7.594 -6.335 -0.478 114 HA LEU 13 HA LEU 13 -5.183 -5.104 -1.315 115 HG LEU 13 HG LEU 13 -5.466 -7.659 0.876 116 HB2 LEU 13 HB2 LEU 13 -6.141 -7.955 -1.284 117 HB3 LEU 13 HB1 LEU 13 -4.580 -7.525 -1.949 118 HD11 LEU 13 HD11 LEU 13 -3.992 -9.325 -0.214 119 HD12 LEU 13 HD12 LEU 13 -3.259 -8.548 1.190 120 HD13 LEU 13 HD13 LEU 13 -2.784 -8.058 -0.437 121 HD21 LEU 13 HD21 LEU 13 -3.470 -6.162 1.459 122 HD22 LEU 13 HD22 LEU 13 -4.967 -5.374 0.963 123 HD23 LEU 13 HD23 LEU 13 -3.632 -5.529 -0.178 124 H ALA 14 HN ALA 14 -7.884 -6.572 -2.990 125 HA ALA 14 HA ALA 14 -6.734 -6.786 -5.545 126 HB1 ALA 14 HB1 ALA 14 -9.638 -6.212 -4.999 127 HB2 ALA 14 HB2 ALA 14 -8.909 -7.800 -4.763 128 HB3 ALA 14 HB3 ALA 14 -8.938 -7.072 -6.369 129 H ARG 15 HN ARG 15 -8.609 -4.177 -4.028 130 HA ARG 15 HA ARG 15 -8.581 -2.444 -6.257 131 HE ARG 15 HE ARG 15 -12.652 -0.838 -6.222 132 HB2 ARG 15 HB2 ARG 15 -9.499 -2.376 -3.542 133 HB3 ARG 15 HB1 ARG 15 -8.625 -0.889 -3.883 134 HG2 ARG 15 HG2 ARG 15 -10.959 -0.575 -4.347 135 HG3 ARG 15 HG1 ARG 15 -10.052 -0.535 -5.861 136 HD2 ARG 15 HD2 ARG 15 -10.761 -2.712 -6.454 137 HD3 ARG 15 HD1 ARG 15 -11.378 -3.030 -4.832 138 HH11 ARG 15 HH11 ARG 15 -12.713 -4.259 -5.522 139 HH12 ARG 15 HH12 ARG 15 -14.400 -4.425 -5.868 140 HH21 ARG 15 HH21 ARG 15 -14.871 -1.058 -6.679 141 HH22 ARG 15 HH22 ARG 15 -15.625 -2.610 -6.526 142 H LEU 16 HN LEU 16 -6.526 -2.582 -3.360 143 HA LEU 16 HA LEU 16 -4.833 -0.452 -4.056 144 HG LEU 16 HG LEU 16 -6.159 -1.202 -1.708 145 HB2 LEU 16 HB2 LEU 16 -4.198 -2.885 -2.384 146 HB3 LEU 16 HB1 LEU 16 -3.278 -1.393 -2.410 147 HD11 LEU 16 HD11 LEU 16 -4.943 -3.191 -0.484 148 HD12 LEU 16 HD12 LEU 16 -6.008 -2.089 0.391 149 HD13 LEU 16 HD13 LEU 16 -4.259 -1.878 0.476 150 HD21 LEU 16 HD21 LEU 16 -4.360 0.671 -1.892 151 HD22 LEU 16 HD22 LEU 16 -3.864 0.093 -0.301 152 HD23 LEU 16 HD23 LEU 16 -5.506 0.685 -0.553 153 H LYS 17 HN LYS 17 -4.736 -3.886 -4.832 154 HA LYS 17 HA LYS 17 -2.146 -3.962 -5.933 155 HB2 LYS 17 HB2 LYS 17 -4.514 -5.693 -5.913 156 HB3 LYS 17 HB1 LYS 17 -3.549 -5.842 -7.375 157 HG2 LYS 17 HG2 LYS 17 -1.638 -6.510 -6.169 158 HG3 LYS 17 HG1 LYS 17 -2.351 -6.028 -4.628 159 HD2 LYS 17 HD2 LYS 17 -4.035 -7.793 -4.861 160 HD3 LYS 17 HD1 LYS 17 -3.319 -8.272 -6.402 161 HE2 LYS 17 HE2 LYS 17 -1.344 -8.155 -4.284 162 HE3 LYS 17 HE1 LYS 17 -2.668 -9.248 -3.882 163 HZ1 LYS 17 HZ1 LYS 17 -2.305 -10.220 -6.173 164 HZ2 LYS 17 HZ2 LYS 17 -1.105 -10.541 -5.024 165 HZ3 LYS 17 HZ3 LYS 17 -0.846 -9.364 -6.211 166 H ARG 18 HN ARG 18 -5.317 -3.365 -7.395 167 HA ARG 18 HA ARG 18 -4.461 -3.140 -10.056 168 HE ARG 18 HE ARG 18 -6.750 -5.148 -12.159 169 HB2 ARG 18 HB2 ARG 18 -6.881 -2.882 -8.656 170 HB3 ARG 18 HB1 ARG 18 -6.651 -1.342 -9.474 171 HG2 ARG 18 HG2 ARG 18 -7.475 -2.274 -11.303 172 HG3 ARG 18 HG1 ARG 18 -6.023 -3.273 -11.382 173 HD2 ARG 18 HD2 ARG 18 -7.594 -4.549 -9.499 174 HD3 ARG 18 HD1 ARG 18 -8.756 -4.002 -10.708 175 HH11 ARG 18 HH11 ARG 18 -8.820 -6.216 -9.560 176 HH12 ARG 18 HH12 ARG 18 -8.811 -7.872 -10.066 177 HH21 ARG 18 HH21 ARG 18 -6.737 -7.326 -12.826 178 HH22 ARG 18 HH22 ARG 18 -7.628 -8.502 -11.920 179 H GLU 19 HN GLU 19 -4.821 -0.709 -7.503 180 HA GLU 19 HA GLU 19 -4.094 1.515 -9.091 181 HB2 GLU 19 HB2 GLU 19 -4.994 1.131 -6.502 182 HB3 GLU 19 HB1 GLU 19 -3.360 1.738 -6.272 183 HG2 GLU 19 HG2 GLU 19 -5.355 3.098 -8.055 184 HG3 GLU 19 HG1 GLU 19 -5.212 3.452 -6.333 185 H PHE 20 HN PHE 20 -2.240 -0.746 -7.127 186 HA PHE 20 HA PHE 20 0.226 0.609 -7.223 187 HD1 PHE 20 HD1 PHE 20 1.866 -0.234 -4.928 188 HD2 PHE 20 HD2 PHE 20 1.720 -3.138 -8.035 189 HE1 PHE 20 HE1 PHE 20 4.292 -0.584 -4.709 190 HE2 PHE 20 HE2 PHE 20 4.145 -3.494 -7.821 191 HZ PHE 20 HZ PHE 20 5.434 -2.217 -6.156 192 HB2 PHE 20 HB2 PHE 20 -0.244 -1.227 -5.648 193 HB3 PHE 20 HB1 PHE 20 -0.291 -2.364 -6.991 194 H ASN 21 HN ASN 21 -1.277 -1.736 -9.389 195 HA ASN 21 HA ASN 21 0.947 -2.197 -11.046 196 HB2 ASN 21 HB2 ASN 21 -1.681 -3.096 -10.932 197 HB3 ASN 21 HB1 ASN 21 -1.592 -2.253 -12.476 198 HD21 ASN 21 HD21 ASN 21 -1.707 -5.159 -11.587 199 HD22 ASN 21 HD22 ASN 21 -0.451 -5.917 -12.498 200 H GLU 22 HN GLU 22 -1.342 0.414 -10.877 201 HA GLU 22 HA GLU 22 -0.601 1.527 -13.440 202 HB2 GLU 22 HB2 GLU 22 -2.212 2.767 -11.204 203 HB3 GLU 22 HB1 GLU 22 -2.113 3.346 -12.862 204 HG2 GLU 22 HG2 GLU 22 -3.030 1.002 -13.471 205 HG3 GLU 22 HG1 GLU 22 -3.522 0.948 -11.779 206 H ASN 23 HN ASN 23 0.185 1.957 -10.069 207 HA ASN 23 HA ASN 23 2.540 3.473 -10.759 208 HB2 ASN 23 HB2 ASN 23 0.434 5.054 -10.416 209 HB3 ASN 23 HB1 ASN 23 0.817 4.803 -8.716 210 HD21 ASN 23 HD21 ASN 23 0.947 7.298 -9.694 211 HD22 ASN 23 HD22 ASN 23 2.589 7.818 -9.832 212 H ARG 24 HN ARG 24 4.135 2.800 -9.485 213 HA ARG 24 HA ARG 24 3.624 1.021 -7.315 214 HE ARG 24 HE ARG 24 8.386 1.359 -8.577 215 HB2 ARG 24 HB2 ARG 24 6.216 2.300 -8.198 216 HB3 ARG 24 HB1 ARG 24 6.068 0.954 -7.077 217 HG2 ARG 24 HG2 ARG 24 4.988 -0.354 -8.906 218 HG3 ARG 24 HG1 ARG 24 5.373 0.974 -10.003 219 HD2 ARG 24 HD2 ARG 24 7.308 -0.735 -8.449 220 HD3 ARG 24 HD1 ARG 24 7.078 -0.707 -10.195 221 HH11 ARG 24 HH11 ARG 24 7.516 0.109 -11.727 222 HH12 ARG 24 HH12 ARG 24 8.604 1.155 -12.573 223 HH21 ARG 24 HH21 ARG 24 9.806 2.731 -9.698 224 HH22 ARG 24 HH22 ARG 24 9.901 2.641 -11.426 225 H TYR 25 HN TYR 25 3.796 4.404 -7.508 226 HA TYR 25 HA TYR 25 4.451 4.627 -4.649 227 HD1 TYR 25 HD2 TYR 25 5.452 5.199 -8.332 228 HD2 TYR 25 HD1 TYR 25 7.325 6.552 -4.761 229 HE1 TYR 25 HE2 TYR 25 7.646 4.586 -9.259 230 HE2 TYR 25 HE1 TYR 25 9.525 5.944 -5.676 231 HH TYR 25 HH TYR 25 10.596 4.836 -7.335 232 HB2 TYR 25 HB2 TYR 25 4.362 6.874 -6.664 233 HB3 TYR 25 HB1 TYR 25 5.050 6.914 -5.044 234 H LEU 26 HN LEU 26 3.325 6.978 -3.967 235 HA LEU 26 HA LEU 26 0.523 6.929 -4.747 236 HG LEU 26 HG LEU 26 0.383 4.360 -3.168 237 HB2 LEU 26 HB2 LEU 26 1.558 6.097 -2.101 238 HB3 LEU 26 HB1 LEU 26 0.162 7.152 -2.086 239 HD11 LEU 26 HD11 LEU 26 -0.168 4.768 -0.781 240 HD12 LEU 26 HD12 LEU 26 -1.441 3.931 -1.671 241 HD13 LEU 26 HD13 LEU 26 -1.602 5.651 -1.307 242 HD21 LEU 26 HD21 LEU 26 -1.266 4.618 -4.641 243 HD22 LEU 26 HD22 LEU 26 -1.028 6.358 -4.492 244 HD23 LEU 26 HD23 LEU 26 -2.235 5.548 -3.501 245 H THR 27 HN THR 27 -0.418 8.880 -4.698 246 HA THR 27 HA THR 27 1.219 11.146 -3.843 247 HB THR 27 HB THR 27 -0.166 12.504 -5.208 248 HG1 THR 27 HG1 THR 27 -2.212 12.061 -4.981 249 HG21 THR 27 HG21 THR 27 1.046 10.277 -6.333 250 HG22 THR 27 HG22 THR 27 0.515 11.738 -7.168 251 HG23 THR 27 HG23 THR 27 -0.556 10.340 -7.066 252 H GLU 28 HN GLU 28 -0.009 12.987 -2.757 253 HA GLU 28 HA GLU 28 -1.048 12.152 -0.314 254 HB2 GLU 28 HB2 GLU 28 -0.327 14.570 -1.402 255 HB3 GLU 28 HB1 GLU 28 -2.067 14.753 -1.228 256 HG2 GLU 28 HG2 GLU 28 -0.673 13.638 1.108 257 HG3 GLU 28 HG1 GLU 28 -0.279 15.309 0.706 258 H ARG 29 HN ARG 29 -2.760 13.366 -3.172 259 HA ARG 29 HA ARG 29 -5.365 13.098 -2.194 260 HE ARG 29 HE ARG 29 -7.138 14.324 -2.537 261 HB2 ARG 29 HB2 ARG 29 -4.222 13.096 -4.977 262 HB3 ARG 29 HB1 ARG 29 -5.950 12.939 -4.688 263 HG2 ARG 29 HG2 ARG 29 -4.758 15.163 -3.239 264 HG3 ARG 29 HG1 ARG 29 -4.567 15.290 -4.989 265 HD2 ARG 29 HD2 ARG 29 -6.650 16.341 -4.067 266 HD3 ARG 29 HD1 ARG 29 -6.908 15.150 -5.339 267 HH11 ARG 29 HH11 ARG 29 -8.661 14.927 -5.627 268 HH12 ARG 29 HH12 ARG 29 -10.120 14.097 -5.204 269 HH21 ARG 29 HH21 ARG 29 -9.059 13.241 -1.989 270 HH22 ARG 29 HH22 ARG 29 -10.347 13.144 -3.142 271 H ARG 30 HN ARG 30 -3.284 10.777 -3.887 272 HA ARG 30 HA ARG 30 -5.268 8.792 -4.231 273 HE ARG 30 HE ARG 30 -5.507 6.446 -7.246 274 HB2 ARG 30 HB2 ARG 30 -2.620 9.133 -5.001 275 HB3 ARG 30 HB1 ARG 30 -2.572 7.736 -3.936 276 HG2 ARG 30 HG2 ARG 30 -2.863 7.043 -6.234 277 HG3 ARG 30 HG1 ARG 30 -4.301 6.652 -5.290 278 HD2 ARG 30 HD2 ARG 30 -5.016 9.073 -6.167 279 HD3 ARG 30 HD1 ARG 30 -3.932 8.614 -7.479 280 HH11 ARG 30 HH11 ARG 30 -6.234 9.850 -7.515 281 HH12 ARG 30 HH12 ARG 30 -7.746 9.590 -8.319 282 HH21 ARG 30 HH21 ARG 30 -7.495 6.105 -8.303 283 HH22 ARG 30 HH22 ARG 30 -8.461 7.465 -8.766 284 H ARG 31 HN ARG 31 -2.899 9.408 -1.687 285 HA ARG 31 HA ARG 31 -3.291 7.065 -0.203 286 HE ARG 31 HE ARG 31 0.122 10.367 1.163 287 HB2 ARG 31 HB2 ARG 31 -1.805 9.432 0.063 288 HB3 ARG 31 HB1 ARG 31 -2.809 9.354 1.504 289 HG2 ARG 31 HG2 ARG 31 -1.674 7.618 2.358 290 HG3 ARG 31 HG1 ARG 31 -1.477 6.837 0.787 291 HD2 ARG 31 HD2 ARG 31 0.659 7.599 1.828 292 HD3 ARG 31 HD1 ARG 31 0.351 8.270 0.228 293 HH11 ARG 31 HH11 ARG 31 0.327 7.962 3.689 294 HH12 ARG 31 HH12 ARG 31 0.557 9.127 4.948 295 HH21 ARG 31 HH21 ARG 31 0.421 11.896 2.822 296 HH22 ARG 31 HH22 ARG 31 0.609 11.359 4.458 297 H GLN 32 HN GLN 32 -4.736 10.289 0.251 298 HA GLN 32 HA GLN 32 -6.542 9.467 2.270 299 HB2 GLN 32 HB2 GLN 32 -5.836 11.806 1.960 300 HB3 GLN 32 HB1 GLN 32 -6.687 11.858 0.422 301 HG2 GLN 32 HG2 GLN 32 -8.469 10.978 2.483 302 HG3 GLN 32 HG1 GLN 32 -7.679 12.476 2.970 303 HE21 GLN 32 HE21 GLN 32 -9.640 10.952 0.498 304 HE22 GLN 32 HE22 GLN 32 -10.312 12.410 -0.138 305 H GLN 33 HN GLN 33 -6.723 9.556 -1.229 306 HA GLN 33 HA GLN 33 -9.530 9.273 -1.456 307 HB2 GLN 33 HB2 GLN 33 -7.198 8.912 -3.273 308 HB3 GLN 33 HB1 GLN 33 -8.721 8.175 -3.746 309 HG2 GLN 33 HG2 GLN 33 -9.157 10.879 -2.888 310 HG3 GLN 33 HG1 GLN 33 -7.904 10.821 -4.129 311 HE21 GLN 33 HE21 GLN 33 -8.716 11.196 -6.052 312 HE22 GLN 33 HE22 GLN 33 -10.236 10.633 -6.651 313 H LEU 34 HN LEU 34 -6.902 6.884 -1.717 314 HA LEU 34 HA LEU 34 -8.596 4.642 -1.957 315 HG LEU 34 HG LEU 34 -6.456 5.049 -3.615 316 HB2 LEU 34 HB2 LEU 34 -5.723 5.000 -1.168 317 HB3 LEU 34 HB1 LEU 34 -6.480 3.422 -1.082 318 HD11 LEU 34 HD11 LEU 34 -4.411 3.091 -2.597 319 HD12 LEU 34 HD12 LEU 34 -4.159 4.768 -3.082 320 HD13 LEU 34 HD13 LEU 34 -4.563 3.551 -4.293 321 HD21 LEU 34 HD21 LEU 34 -6.414 2.198 -3.917 322 HD22 LEU 34 HD22 LEU 34 -7.621 3.362 -4.464 323 HD23 LEU 34 HD23 LEU 34 -7.735 2.667 -2.848 324 H SER 35 HN SER 35 -7.275 6.342 0.806 325 HA SER 35 HA SER 35 -7.817 4.447 2.797 326 HG SER 35 HG SER 35 -8.111 8.175 4.103 327 HB2 SER 35 HB2 SER 35 -7.420 6.176 4.345 328 HB3 SER 35 HB1 SER 35 -6.477 6.656 2.937 329 H SER 36 HN SER 36 -9.730 7.210 1.672 330 HA SER 36 HA SER 36 -11.984 6.620 3.306 331 HG SER 36 HG SER 36 -13.610 8.070 3.072 332 HB2 SER 36 HB2 SER 36 -11.181 8.801 1.872 333 HB3 SER 36 HB1 SER 36 -12.488 8.185 0.862 334 H GLU 37 HN GLU 37 -11.227 5.995 -0.103 335 HA GLU 37 HA GLU 37 -13.730 4.959 -0.834 336 HB2 GLU 37 HB2 GLU 37 -11.327 5.450 -2.119 337 HB3 GLU 37 HB1 GLU 37 -11.502 3.706 -2.233 338 HG2 GLU 37 HG2 GLU 37 -12.752 4.098 -4.022 339 HG3 GLU 37 HG1 GLU 37 -14.005 4.614 -2.895 340 H LEU 38 HN LEU 38 -10.811 3.298 0.338 341 HA LEU 38 HA LEU 38 -12.169 0.740 0.290 342 HG LEU 38 HG LEU 38 -9.801 1.072 -1.358 343 HB2 LEU 38 HB2 LEU 38 -9.405 1.655 0.985 344 HB3 LEU 38 HB1 LEU 38 -9.947 0.064 1.484 345 HD11 LEU 38 HD11 LEU 38 -7.912 -0.245 -1.645 346 HD12 LEU 38 HD12 LEU 38 -8.226 -1.188 -0.188 347 HD13 LEU 38 HD13 LEU 38 -7.660 0.477 -0.056 348 HD21 LEU 38 HD21 LEU 38 -11.140 -1.230 -0.125 349 HD22 LEU 38 HD22 LEU 38 -10.110 -1.623 -1.503 350 HD23 LEU 38 HD23 LEU 38 -11.417 -0.453 -1.683 351 H GLY 39 HN GLY 39 -10.605 2.713 2.827 352 HA2 GLY 39 HA2 GLY 39 -12.048 3.165 4.813 353 HA3 GLY 39 HA1 GLY 39 -12.458 1.457 4.759 354 H LEU 40 HN LEU 40 -9.316 3.068 4.397 355 HA LEU 40 HA LEU 40 -8.434 1.779 6.888 356 HG LEU 40 HG LEU 40 -8.719 -0.165 5.294 357 HB2 LEU 40 HB2 LEU 40 -6.846 1.832 4.321 358 HB3 LEU 40 HB1 LEU 40 -6.322 1.149 5.848 359 HD11 LEU 40 HD11 LEU 40 -7.044 -0.281 2.810 360 HD12 LEU 40 HD12 LEU 40 -8.392 0.846 2.964 361 HD13 LEU 40 HD13 LEU 40 -8.678 -0.891 3.077 362 HD21 LEU 40 HD21 LEU 40 -6.239 -0.830 6.085 363 HD22 LEU 40 HD22 LEU 40 -6.210 -1.460 4.438 364 HD23 LEU 40 HD23 LEU 40 -7.445 -2.009 5.570 365 H ASN 41 HN ASN 41 -6.154 2.654 7.478 366 HA ASN 41 HA ASN 41 -6.387 5.534 7.549 367 HB2 ASN 41 HB2 ASN 41 -5.545 3.776 9.397 368 HB3 ASN 41 HB1 ASN 41 -3.991 4.193 8.681 369 HD21 ASN 41 HD21 ASN 41 -6.955 5.956 9.534 370 HD22 ASN 41 HD22 ASN 41 -6.156 7.208 10.416 371 H GLU 42 HN GLU 42 -4.943 7.017 6.703 372 HA GLU 42 HA GLU 42 -3.819 6.529 4.230 373 HB2 GLU 42 HB2 GLU 42 -3.259 8.639 6.298 374 HB3 GLU 42 HB1 GLU 42 -2.408 8.620 4.759 375 HG2 GLU 42 HG2 GLU 42 -4.599 8.711 3.604 376 HG3 GLU 42 HG1 GLU 42 -5.376 8.876 5.178 377 H ALA 43 HN ALA 43 -2.291 6.394 7.412 378 HA ALA 43 HA ALA 43 0.348 5.956 6.517 379 HB1 ALA 43 HB1 ALA 43 -0.851 5.006 9.113 380 HB2 ALA 43 HB2 ALA 43 -0.309 6.659 8.820 381 HB3 ALA 43 HB3 ALA 43 0.849 5.329 8.771 382 H GLN 44 HN GLN 44 -2.370 3.814 7.058 383 HA GLN 44 HA GLN 44 -0.900 1.384 6.982 384 HB2 GLN 44 HB2 GLN 44 -3.818 1.979 6.467 385 HB3 GLN 44 HB1 GLN 44 -3.147 0.354 6.527 386 HG2 GLN 44 HG2 GLN 44 -2.253 1.431 8.871 387 HG3 GLN 44 HG1 GLN 44 -3.835 2.187 8.690 388 HE21 GLN 44 HE21 GLN 44 -3.903 0.774 10.757 389 HE22 GLN 44 HE22 GLN 44 -4.577 -0.802 10.542 390 H ILE 45 HN ILE 45 -2.649 3.257 4.534 391 HA ILE 45 HA ILE 45 -2.230 1.415 2.418 392 HB ILE 45 HB ILE 45 -2.631 4.394 2.140 393 HG12 ILE 45 HG12 ILE 45 -4.982 2.671 1.832 394 HG13 ILE 45 HG11 ILE 45 -4.335 2.679 3.470 395 HG21 ILE 45 HG21 ILE 45 -3.801 2.505 0.213 396 HG22 ILE 45 HG22 ILE 45 -2.040 2.593 0.216 397 HG23 ILE 45 HG23 ILE 45 -2.995 4.051 -0.054 398 HD11 ILE 45 HD11 ILE 45 -4.352 5.344 2.743 399 HD12 ILE 45 HD12 ILE 45 -5.513 4.526 3.789 400 HD13 ILE 45 HD13 ILE 45 -5.845 4.697 2.065 401 H LYS 46 HN LYS 46 -0.475 4.250 3.578 402 HA LYS 46 HA LYS 46 1.419 4.444 1.530 403 HB2 LYS 46 HB2 LYS 46 1.054 6.143 3.315 404 HB3 LYS 46 HB1 LYS 46 1.834 5.061 4.462 405 HG2 LYS 46 HG2 LYS 46 3.600 5.319 2.292 406 HG3 LYS 46 HG1 LYS 46 3.009 6.941 2.657 407 HD2 LYS 46 HD2 LYS 46 3.615 6.595 5.025 408 HD3 LYS 46 HD1 LYS 46 4.270 5.011 4.605 409 HE2 LYS 46 HE2 LYS 46 5.884 6.071 3.110 410 HE3 LYS 46 HE1 LYS 46 5.222 7.655 3.509 411 HZ1 LYS 46 HZ1 LYS 46 7.032 7.498 4.900 412 HZ2 LYS 46 HZ2 LYS 46 6.827 5.843 5.184 413 HZ3 LYS 46 HZ3 LYS 46 5.789 6.961 5.914 414 H ILE 47 HN ILE 47 1.478 2.608 4.567 415 HA ILE 47 HA ILE 47 4.064 1.521 4.211 416 HB ILE 47 HB ILE 47 1.749 0.370 5.777 417 HG12 ILE 47 HG12 ILE 47 4.023 1.841 7.033 418 HG13 ILE 47 HG11 ILE 47 2.761 2.780 6.242 419 HG21 ILE 47 HG21 ILE 47 4.665 -0.297 5.652 420 HG22 ILE 47 HG22 ILE 47 3.271 -1.375 5.606 421 HG23 ILE 47 HG23 ILE 47 3.733 -0.597 7.119 422 HD11 ILE 47 HD11 ILE 47 2.740 1.401 8.790 423 HD12 ILE 47 HD12 ILE 47 1.347 0.996 7.786 424 HD13 ILE 47 HD13 ILE 47 1.688 2.680 8.183 425 H TRP 48 HN TRP 48 0.841 0.419 3.280 426 HA TRP 48 HA TRP 48 1.528 -2.159 2.425 427 HD1 TRP 48 HD1 TRP 48 -1.114 -3.988 2.371 428 HE1 TRP 48 HE1 TRP 48 -1.722 -5.388 0.300 429 HE3 TRP 48 HE3 TRP 48 -0.326 -0.463 -1.255 430 HZ2 TRP 48 HZ2 TRP 48 -1.853 -5.048 -2.498 431 HZ3 TRP 48 HZ3 TRP 48 -0.715 -1.087 -3.603 432 HH2 TRP 48 HH2 TRP 48 -1.462 -3.330 -4.209 433 HB2 TRP 48 HB2 TRP 48 -0.801 -1.379 2.745 434 HB3 TRP 48 HB1 TRP 48 -0.640 -0.361 1.318 435 H PHE 49 HN PHE 49 1.375 0.902 0.629 436 HA PHE 49 HA PHE 49 2.089 -0.175 -1.874 437 HD1 PHE 49 HD1 PHE 49 -0.525 1.516 -1.308 438 HD2 PHE 49 HD2 PHE 49 2.451 2.537 -4.174 439 HE1 PHE 49 HE1 PHE 49 -2.254 1.637 -3.055 440 HE2 PHE 49 HE2 PHE 49 0.726 2.663 -5.921 441 HZ PHE 49 HZ PHE 49 -1.628 2.211 -5.366 442 HB2 PHE 49 HB2 PHE 49 1.773 2.486 -0.696 443 HB3 PHE 49 HB1 PHE 49 3.025 2.423 -1.933 444 H GLN 50 HN GLN 50 4.030 1.357 0.673 445 HA GLN 50 HA GLN 50 6.506 1.179 -0.655 446 HB2 GLN 50 HB2 GLN 50 6.070 2.617 1.319 447 HB3 GLN 50 HB1 GLN 50 5.986 1.176 2.323 448 HG2 GLN 50 HG2 GLN 50 8.298 0.670 1.866 449 HG3 GLN 50 HG1 GLN 50 8.401 2.023 0.741 450 HE21 GLN 50 HE21 GLN 50 8.797 1.014 3.921 451 HE22 GLN 50 HE22 GLN 50 9.022 2.561 4.655 452 H ASN 51 HN ASN 51 4.807 -1.045 1.497 453 HA ASN 51 HA ASN 51 6.927 -2.909 1.754 454 HB2 ASN 51 HB2 ASN 51 4.552 -2.608 3.007 455 HB3 ASN 51 HB1 ASN 51 4.146 -3.924 1.912 456 HD21 ASN 51 HD21 ASN 51 4.751 -3.547 4.920 457 HD22 ASN 51 HD22 ASN 51 5.784 -4.885 5.274 458 H LYS 52 HN LYS 52 4.339 -2.492 -0.578 459 HA LYS 52 HA LYS 52 4.591 -5.003 -1.855 460 HB2 LYS 52 HB2 LYS 52 2.994 -2.692 -2.144 461 HB3 LYS 52 HB1 LYS 52 3.767 -2.953 -3.701 462 HG2 LYS 52 HG2 LYS 52 2.930 -5.475 -3.002 463 HG3 LYS 52 HG1 LYS 52 1.636 -4.441 -2.396 464 HD2 LYS 52 HD2 LYS 52 0.867 -4.080 -4.456 465 HD3 LYS 52 HD1 LYS 52 2.466 -3.604 -5.030 466 HE2 LYS 52 HE2 LYS 52 1.832 -5.471 -6.331 467 HE3 LYS 52 HE1 LYS 52 3.012 -6.066 -5.164 468 HZ1 LYS 52 HZ1 LYS 52 1.289 -7.627 -5.165 469 HZ2 LYS 52 HZ2 LYS 52 0.078 -6.446 -5.150 470 HZ3 LYS 52 HZ3 LYS 52 1.020 -6.709 -3.770 471 H ARG 53 HN ARG 53 6.050 -1.840 -2.469 472 HA ARG 53 HA ARG 53 7.464 -2.626 -4.802 473 HE ARG 53 HE ARG 53 9.311 0.096 -7.260 474 HB2 ARG 53 HB2 ARG 53 7.153 -0.255 -3.200 475 HB3 ARG 53 HB1 ARG 53 8.856 -0.506 -3.557 476 HG2 ARG 53 HG2 ARG 53 7.832 -0.917 -5.997 477 HG3 ARG 53 HG1 ARG 53 6.625 0.194 -5.348 478 HD2 ARG 53 HD2 ARG 53 8.002 1.869 -5.839 479 HD3 ARG 53 HD1 ARG 53 9.093 1.261 -4.596 480 HH11 ARG 53 HH11 ARG 53 10.594 2.305 -4.873 481 HH12 ARG 53 HH12 ARG 53 12.147 2.410 -5.628 482 HH21 ARG 53 HH21 ARG 53 11.355 0.243 -8.250 483 HH22 ARG 53 HH22 ARG 53 12.579 1.244 -7.543 484 H ALA 54 HN ALA 54 8.128 -2.791 -1.382 485 HA ALA 54 HA ALA 54 10.918 -3.192 -1.524 486 HB1 ALA 54 HB1 ALA 54 9.200 -4.354 0.638 487 HB2 ALA 54 HB2 ALA 54 9.456 -2.614 0.510 488 HB3 ALA 54 HB3 ALA 54 10.831 -3.693 0.749 489 H LYS 55 HN LYS 55 8.181 -5.376 -1.806 490 HA LYS 55 HA LYS 55 9.773 -7.754 -1.618 491 HB2 LYS 55 HB2 LYS 55 7.760 -8.956 -2.126 492 HB3 LYS 55 HB1 LYS 55 7.363 -7.664 -1.004 493 HG2 LYS 55 HG2 LYS 55 5.984 -6.664 -2.451 494 HG3 LYS 55 HG1 LYS 55 7.070 -6.922 -3.818 495 HD2 LYS 55 HD2 LYS 55 6.322 -9.232 -3.999 496 HD3 LYS 55 HD1 LYS 55 5.276 -9.018 -2.593 497 HE2 LYS 55 HE2 LYS 55 4.564 -6.948 -4.298 498 HE3 LYS 55 HE1 LYS 55 4.821 -8.322 -5.371 499 HZ1 LYS 55 HZ1 LYS 55 2.689 -7.832 -3.538 500 HZ2 LYS 55 HZ2 LYS 55 3.392 -9.349 -3.280 501 HZ3 LYS 55 HZ3 LYS 55 2.782 -8.949 -4.806 502 H ILE 56 HN ILE 56 9.479 -5.469 -4.023 503 HA ILE 56 HA ILE 56 9.743 -7.370 -6.224 504 HB ILE 56 HB ILE 56 9.746 -4.357 -6.390 505 HG12 ILE 56 HG12 ILE 56 7.397 -6.206 -6.836 506 HG13 ILE 56 HG11 ILE 56 7.667 -5.327 -5.334 507 HG21 ILE 56 HG21 ILE 56 9.486 -6.569 -8.400 508 HG22 ILE 56 HG22 ILE 56 10.628 -5.226 -8.378 509 HG23 ILE 56 HG23 ILE 56 8.926 -4.931 -8.737 510 HD11 ILE 56 HD11 ILE 56 7.060 -4.211 -8.051 511 HD12 ILE 56 HD12 ILE 56 7.651 -3.218 -6.718 512 HD13 ILE 56 HD13 ILE 56 6.114 -4.070 -6.571 513 H LYS 57 HN LYS 57 11.441 -4.346 -5.386 514 HA LYS 57 HA LYS 57 13.808 -5.087 -6.756 515 HB2 LYS 57 HB2 LYS 57 14.801 -3.137 -5.437 516 HB3 LYS 57 HB1 LYS 57 13.453 -2.773 -6.506 517 HG2 LYS 57 HG2 LYS 57 12.303 -1.920 -4.821 518 HG3 LYS 57 HG1 LYS 57 12.431 -3.436 -3.927 519 HD2 LYS 57 HD2 LYS 57 14.601 -2.741 -3.048 520 HD3 LYS 57 HD1 LYS 57 14.496 -1.235 -3.962 521 HE2 LYS 57 HE2 LYS 57 13.096 -0.292 -2.480 522 HE3 LYS 57 HE1 LYS 57 12.176 -1.779 -2.258 523 HZ1 LYS 57 HZ1 LYS 57 14.873 -1.653 -1.128 524 HZ2 LYS 57 HZ2 LYS 57 13.498 -2.455 -0.554 525 HZ3 LYS 57 HZ3 LYS 57 13.648 -0.783 -0.347 526 H LYS 58 HN LYS 58 14.316 -7.167 -5.933 527 HA LYS 58 HA LYS 58 15.659 -7.074 -3.315 528 HB2 LYS 58 HB2 LYS 58 13.426 -8.380 -3.436 529 HB3 LYS 58 HB1 LYS 58 14.345 -9.572 -4.346 530 HG2 LYS 58 HG2 LYS 58 15.948 -9.655 -2.409 531 HG3 LYS 58 HG1 LYS 58 14.782 -8.683 -1.510 532 HD2 LYS 58 HD2 LYS 58 13.252 -10.388 -1.386 533 HD3 LYS 58 HD1 LYS 58 13.825 -11.153 -2.869 534 HE2 LYS 58 HE2 LYS 58 15.884 -11.829 -1.666 535 HE3 LYS 58 HE1 LYS 58 15.198 -11.161 -0.185 536 HZ1 LYS 58 HZ1 LYS 58 14.942 -13.661 -0.663 537 HZ2 LYS 58 HZ2 LYS 58 13.713 -13.188 -1.724 538 HZ3 LYS 58 HZ3 LYS 58 13.603 -12.807 -0.080 539 H SER 59 HN SER 59 17.576 -8.220 -3.128 540 HA SER 59 HA SER 59 18.722 -9.137 -5.680 541 HG SER 59 HG SER 59 21.344 -7.160 -5.371 542 HB2 SER 59 HB2 SER 59 19.756 -7.445 -3.530 543 HB3 SER 59 HB1 SER 59 20.862 -8.746 -3.970 Start of MODEL 7 1 HA MET -1 HA MET -1 8.695 1.883 22.623 2 H1 MET -1 HT1 MET -1 9.085 1.919 20.509 3 H2 MET -1 HT2 MET -1 7.902 3.146 20.322 4 H3 MET -1 HT3 MET -1 7.466 1.497 20.141 5 HB2 MET -1 HB2 MET -1 6.525 3.804 21.820 6 HB3 MET -1 HB1 MET -1 6.700 3.298 23.494 7 HG2 MET -1 HG2 MET -1 8.853 4.254 23.658 8 HG3 MET -1 HG1 MET -1 8.957 4.493 21.916 9 HE1 MET -1 HE1 MET -1 7.743 7.019 20.741 10 HE2 MET -1 HE2 MET -1 6.087 7.027 21.343 11 HE3 MET -1 HE3 MET -1 6.819 5.518 20.800 12 H ASP 0 HN ASP 0 5.613 1.575 20.874 13 HA ASP 0 HA ASP 0 4.917 -0.654 22.670 14 HB2 ASP 0 HB2 ASP 0 3.437 1.489 22.538 15 HB3 ASP 0 HB1 ASP 0 2.887 0.806 21.010 16 H GLU 1 HN GLU 1 4.985 0.457 19.325 17 HA GLU 1 HA GLU 1 4.504 -2.319 18.459 18 HB2 GLU 1 HB2 GLU 1 3.827 -1.295 16.269 19 HB3 GLU 1 HB1 GLU 1 2.758 -0.926 17.616 20 HG2 GLU 1 HG2 GLU 1 3.077 1.253 17.378 21 HG3 GLU 1 HG1 GLU 1 4.830 1.063 17.361 22 H LYS 2 HN LYS 2 6.216 -3.345 17.692 23 HA LYS 2 HA LYS 2 8.527 -1.793 16.783 24 HB2 LYS 2 HB2 LYS 2 8.885 -3.516 18.521 25 HB3 LYS 2 HB1 LYS 2 8.308 -4.745 17.404 26 HG2 LYS 2 HG2 LYS 2 10.506 -3.081 16.394 27 HG3 LYS 2 HG1 LYS 2 10.907 -4.107 17.771 28 HD2 LYS 2 HD2 LYS 2 9.506 -5.838 16.215 29 HD3 LYS 2 HD1 LYS 2 10.277 -4.828 14.991 30 HE2 LYS 2 HE2 LYS 2 12.253 -5.790 15.340 31 HE3 LYS 2 HE1 LYS 2 12.143 -5.520 17.079 32 HZ1 LYS 2 HZ1 LYS 2 11.584 -7.631 17.422 33 HZ2 LYS 2 HZ2 LYS 2 12.054 -7.935 15.826 34 HZ3 LYS 2 HZ3 LYS 2 10.430 -7.633 16.185 35 H ARG 3 HN ARG 3 6.237 -4.238 15.730 36 HA ARG 3 HA ARG 3 7.388 -4.129 13.024 37 HE ARG 3 HE ARG 3 10.018 -7.254 11.320 38 HB2 ARG 3 HB2 ARG 3 6.717 -6.323 14.571 39 HB3 ARG 3 HB1 ARG 3 5.341 -6.165 13.489 40 HG2 ARG 3 HG2 ARG 3 6.987 -7.675 12.564 41 HG3 ARG 3 HG1 ARG 3 6.850 -6.228 11.565 42 HD2 ARG 3 HD2 ARG 3 8.925 -5.453 12.166 43 HD3 ARG 3 HD1 ARG 3 8.904 -6.286 13.720 44 HH11 ARG 3 HH11 ARG 3 8.144 -8.327 14.060 45 HH12 ARG 3 HH12 ARG 3 8.699 -9.964 13.958 46 HH21 ARG 3 HH21 ARG 3 10.747 -9.408 11.181 47 HH22 ARG 3 HH22 ARG 3 10.177 -10.578 12.324 48 HA PRO 4 HA PRO 4 3.900 -1.730 11.694 49 HB2 PRO 4 HB2 PRO 4 3.833 -2.561 9.067 50 HB3 PRO 4 HB1 PRO 4 4.916 -1.316 9.693 51 HG2 PRO 4 HG2 PRO 4 5.455 -4.212 9.177 52 HG3 PRO 4 HG1 PRO 4 6.485 -2.804 8.852 53 HD2 PRO 4 HD2 PRO 4 6.911 -4.390 10.971 54 HD3 PRO 4 HD1 PRO 4 7.162 -2.634 11.066 55 H ARG 5 HN ARG 5 1.894 -2.190 10.137 56 HA ARG 5 HA ARG 5 0.887 -4.887 10.290 57 HE ARG 5 HE ARG 5 -4.319 -4.449 12.916 58 HB2 ARG 5 HB2 ARG 5 0.455 -4.046 12.571 59 HB3 ARG 5 HB1 ARG 5 -0.462 -2.708 11.894 60 HG2 ARG 5 HG2 ARG 5 -2.056 -4.318 10.931 61 HG3 ARG 5 HG1 ARG 5 -1.154 -5.630 11.690 62 HD2 ARG 5 HD2 ARG 5 -1.663 -4.809 13.875 63 HD3 ARG 5 HD1 ARG 5 -2.357 -3.329 13.215 64 HH11 ARG 5 HH11 ARG 5 -1.751 -6.795 13.200 65 HH12 ARG 5 HH12 ARG 5 -2.823 -8.154 13.193 66 HH21 ARG 5 HH21 ARG 5 -5.730 -6.236 12.908 67 HH22 ARG 5 HH22 ARG 5 -5.083 -7.838 13.027 68 H THR 6 HN THR 6 -0.954 -5.226 9.020 69 HA THR 6 HA THR 6 -1.766 -2.927 7.364 70 HB THR 6 HB THR 6 -2.210 -4.825 5.618 71 HG1 THR 6 HG1 THR 6 -1.284 -6.678 5.988 72 HG21 THR 6 HG21 THR 6 0.298 -4.806 4.997 73 HG22 THR 6 HG22 THR 6 0.433 -3.629 6.303 74 HG23 THR 6 HG23 THR 6 -0.626 -3.306 4.931 75 H ALA 7 HN ALA 7 -2.937 -6.271 7.549 76 HA ALA 7 HA ALA 7 -5.010 -7.143 7.897 77 HB1 ALA 7 HB1 ALA 7 -5.587 -4.784 9.659 78 HB2 ALA 7 HB2 ALA 7 -4.488 -6.073 10.151 79 HB3 ALA 7 HB3 ALA 7 -6.178 -6.439 9.802 80 H PHE 8 HN PHE 8 -5.622 -6.728 5.712 81 HA PHE 8 HA PHE 8 -7.674 -4.630 5.488 82 HD1 PHE 8 HD2 PHE 8 -6.250 -2.987 5.872 83 HD2 PHE 8 HD1 PHE 8 -3.886 -4.565 2.706 84 HE1 PHE 8 HE2 PHE 8 -4.371 -1.559 6.569 85 HE2 PHE 8 HE1 PHE 8 -2.004 -3.139 3.398 86 HZ PHE 8 HZ PHE 8 -2.245 -1.635 5.330 87 HB2 PHE 8 HB2 PHE 8 -5.948 -5.522 3.179 88 HB3 PHE 8 HB1 PHE 8 -7.030 -4.136 3.249 89 H SER 9 HN SER 9 -8.614 -5.287 2.962 90 HA SER 9 HA SER 9 -9.645 -8.021 3.358 91 HG SER 9 HG SER 9 -12.094 -5.168 1.834 92 HB2 SER 9 HB2 SER 9 -11.804 -7.349 2.865 93 HB3 SER 9 HB1 SER 9 -11.202 -5.910 3.689 94 H SER 10 HN SER 10 -10.209 -9.193 1.429 95 HA SER 10 HA SER 10 -8.312 -9.103 -0.591 96 HG SER 10 HG SER 10 -10.623 -11.079 0.870 97 HB2 SER 10 HB2 SER 10 -11.102 -10.155 -1.040 98 HB3 SER 10 HB1 SER 10 -9.584 -10.744 -1.721 99 H GLU 11 HN GLU 11 -11.448 -7.527 -0.369 100 HA GLU 11 HA GLU 11 -11.629 -6.617 -3.027 101 HB2 GLU 11 HB2 GLU 11 -13.264 -6.504 -0.856 102 HB3 GLU 11 HB1 GLU 11 -12.706 -4.838 -0.929 103 HG2 GLU 11 HG2 GLU 11 -13.948 -4.381 -2.722 104 HG3 GLU 11 HG1 GLU 11 -13.519 -5.893 -3.519 105 H GLN 12 HN GLN 12 -10.347 -5.077 -0.091 106 HA GLN 12 HA GLN 12 -9.481 -2.707 -1.390 107 HB2 GLN 12 HB2 GLN 12 -8.351 -3.917 1.140 108 HB3 GLN 12 HB1 GLN 12 -8.266 -2.233 0.644 109 HG2 GLN 12 HG2 GLN 12 -10.604 -1.937 0.976 110 HG3 GLN 12 HG1 GLN 12 -10.844 -3.665 1.221 111 HE21 GLN 12 HE21 GLN 12 -11.299 -1.205 2.911 112 HE22 GLN 12 HE22 GLN 12 -10.548 -1.583 4.420 113 H LEU 13 HN LEU 13 -8.091 -5.854 -0.859 114 HA LEU 13 HA LEU 13 -5.405 -5.273 -1.481 115 HG LEU 13 HG LEU 13 -5.485 -8.570 0.135 116 HB2 LEU 13 HB2 LEU 13 -7.108 -7.689 -1.306 117 HB3 LEU 13 HB1 LEU 13 -5.668 -7.839 -2.291 118 HD11 LEU 13 HD11 LEU 13 -3.396 -6.564 -0.117 119 HD12 LEU 13 HD12 LEU 13 -3.658 -7.483 -1.599 120 HD13 LEU 13 HD13 LEU 13 -3.288 -8.324 -0.095 121 HD21 LEU 13 HD21 LEU 13 -5.909 -7.157 1.793 122 HD22 LEU 13 HD22 LEU 13 -6.492 -5.996 0.601 123 HD23 LEU 13 HD23 LEU 13 -4.808 -5.956 1.119 124 H ALA 14 HN ALA 14 -8.136 -6.355 -3.464 125 HA ALA 14 HA ALA 14 -6.742 -6.567 -5.901 126 HB1 ALA 14 HB1 ALA 14 -9.151 -6.140 -6.833 127 HB2 ALA 14 HB2 ALA 14 -9.615 -6.308 -5.141 128 HB3 ALA 14 HB3 ALA 14 -8.783 -7.628 -5.962 129 H ARG 15 HN ARG 15 -8.666 -3.920 -4.511 130 HA ARG 15 HA ARG 15 -8.343 -2.124 -6.654 131 HE ARG 15 HE ARG 15 -10.341 1.880 -4.412 132 HB2 ARG 15 HB2 ARG 15 -9.546 -2.101 -4.081 133 HB3 ARG 15 HB1 ARG 15 -8.496 -0.695 -4.175 134 HG2 ARG 15 HG2 ARG 15 -10.333 -1.265 -6.445 135 HG3 ARG 15 HG1 ARG 15 -10.992 -0.579 -4.959 136 HD2 ARG 15 HD2 ARG 15 -8.592 0.809 -5.688 137 HD3 ARG 15 HD1 ARG 15 -9.692 0.766 -7.062 138 HH11 ARG 15 HH11 ARG 15 -10.870 1.735 -7.869 139 HH12 ARG 15 HH12 ARG 15 -11.976 3.065 -7.873 140 HH21 ARG 15 HH21 ARG 15 -11.796 3.622 -4.430 141 HH22 ARG 15 HH22 ARG 15 -12.502 4.133 -5.927 142 H LEU 16 HN LEU 16 -6.517 -2.541 -3.641 143 HA LEU 16 HA LEU 16 -4.672 -0.468 -4.032 144 HG LEU 16 HG LEU 16 -5.580 -0.596 -1.698 145 HB2 LEU 16 HB2 LEU 16 -4.722 -2.980 -2.425 146 HB3 LEU 16 HB1 LEU 16 -3.192 -2.143 -2.604 147 HD11 LEU 16 HD11 LEU 16 -5.026 -2.895 -0.401 148 HD12 LEU 16 HD12 LEU 16 -5.652 -1.445 0.385 149 HD13 LEU 16 HD13 LEU 16 -3.922 -1.791 0.420 150 HD21 LEU 16 HD21 LEU 16 -2.711 -0.421 -0.818 151 HD22 LEU 16 HD22 LEU 16 -3.979 0.797 -0.678 152 HD23 LEU 16 HD23 LEU 16 -3.312 0.396 -2.261 153 H LYS 17 HN LYS 17 -4.573 -3.886 -4.957 154 HA LYS 17 HA LYS 17 -1.987 -3.873 -6.067 155 HB2 LYS 17 HB2 LYS 17 -4.311 -5.666 -6.062 156 HB3 LYS 17 HB1 LYS 17 -3.329 -5.784 -7.516 157 HG2 LYS 17 HG2 LYS 17 -1.413 -6.406 -6.290 158 HG3 LYS 17 HG1 LYS 17 -2.156 -5.950 -4.756 159 HD2 LYS 17 HD2 LYS 17 -3.495 -8.027 -6.413 160 HD3 LYS 17 HD1 LYS 17 -2.028 -8.473 -5.539 161 HE2 LYS 17 HE2 LYS 17 -3.764 -6.975 -3.818 162 HE3 LYS 17 HE1 LYS 17 -4.657 -8.309 -4.544 163 HZ1 LYS 17 HZ1 LYS 17 -3.722 -9.196 -2.622 164 HZ2 LYS 17 HZ2 LYS 17 -2.234 -8.427 -2.858 165 HZ3 LYS 17 HZ3 LYS 17 -2.681 -9.724 -3.847 166 H ARG 18 HN ARG 18 -5.129 -3.011 -7.353 167 HA ARG 18 HA ARG 18 -4.434 -2.905 -10.082 168 HE ARG 18 HE ARG 18 -9.486 -4.077 -11.589 169 HB2 ARG 18 HB2 ARG 18 -6.607 -1.717 -8.406 170 HB3 ARG 18 HB1 ARG 18 -6.384 -1.123 -10.047 171 HG2 ARG 18 HG2 ARG 18 -6.479 -3.600 -10.730 172 HG3 ARG 18 HG1 ARG 18 -7.167 -3.860 -9.126 173 HD2 ARG 18 HD2 ARG 18 -9.128 -2.900 -9.673 174 HD3 ARG 18 HD1 ARG 18 -8.359 -1.644 -10.641 175 HH11 ARG 18 HH11 ARG 18 -6.911 -1.795 -12.173 176 HH12 ARG 18 HH12 ARG 18 -6.794 -2.169 -13.860 177 HH21 ARG 18 HH21 ARG 18 -9.335 -4.570 -13.807 178 HH22 ARG 18 HH22 ARG 18 -8.171 -3.743 -14.788 179 H GLU 19 HN GLU 19 -4.524 -0.382 -7.578 180 HA GLU 19 HA GLU 19 -3.584 1.700 -9.245 181 HB2 GLU 19 HB2 GLU 19 -4.222 1.332 -6.440 182 HB3 GLU 19 HB1 GLU 19 -2.782 2.321 -6.637 183 HG2 GLU 19 HG2 GLU 19 -3.915 4.039 -7.570 184 HG3 GLU 19 HG1 GLU 19 -5.093 2.985 -8.352 185 H PHE 20 HN PHE 20 -1.981 -0.684 -7.228 186 HA PHE 20 HA PHE 20 0.613 0.425 -7.316 187 HD1 PHE 20 HD1 PHE 20 1.661 -3.311 -8.246 188 HD2 PHE 20 HD2 PHE 20 2.158 -0.813 -4.838 189 HE1 PHE 20 HE1 PHE 20 4.014 -4.014 -8.080 190 HE2 PHE 20 HE2 PHE 20 4.512 -1.509 -4.665 191 HZ PHE 20 HZ PHE 20 5.443 -3.111 -6.288 192 HB2 PHE 20 HB2 PHE 20 -0.008 -1.273 -5.675 193 HB3 PHE 20 HB1 PHE 20 -0.266 -2.448 -6.959 194 H ASN 21 HN ASN 21 -1.142 -1.735 -9.460 195 HA ASN 21 HA ASN 21 1.058 -2.500 -11.065 196 HB2 ASN 21 HB2 ASN 21 -1.698 -3.078 -10.946 197 HB3 ASN 21 HB1 ASN 21 -1.402 -2.455 -12.567 198 HD21 ASN 21 HD21 ASN 21 -0.778 -5.003 -10.316 199 HD22 ASN 21 HD22 ASN 21 -0.032 -6.091 -11.432 200 H GLU 22 HN GLU 22 -1.017 0.298 -11.037 201 HA GLU 22 HA GLU 22 -0.183 1.200 -13.652 202 HB2 GLU 22 HB2 GLU 22 -1.635 2.816 -11.562 203 HB3 GLU 22 HB1 GLU 22 -1.620 3.068 -13.302 204 HG2 GLU 22 HG2 GLU 22 -2.589 0.438 -12.706 205 HG3 GLU 22 HG1 GLU 22 -3.489 1.639 -11.783 206 H ASN 23 HN ASN 23 0.591 1.879 -10.292 207 HA ASN 23 HA ASN 23 3.106 3.034 -11.038 208 HB2 ASN 23 HB2 ASN 23 2.706 5.220 -9.907 209 HB3 ASN 23 HB1 ASN 23 1.758 5.012 -11.377 210 HD21 ASN 23 HD21 ASN 23 1.063 6.880 -9.507 211 HD22 ASN 23 HD22 ASN 23 -0.408 6.410 -8.733 212 H ARG 24 HN ARG 24 4.553 2.545 -9.521 213 HA ARG 24 HA ARG 24 3.739 1.224 -7.125 214 HE ARG 24 HE ARG 24 8.162 -1.138 -7.669 215 HB2 ARG 24 HB2 ARG 24 6.213 1.669 -8.590 216 HB3 ARG 24 HB1 ARG 24 6.447 1.783 -6.852 217 HG2 ARG 24 HG2 ARG 24 6.429 -0.420 -6.679 218 HG3 ARG 24 HG1 ARG 24 4.818 -0.487 -7.396 219 HD2 ARG 24 HD2 ARG 24 5.799 -1.612 -9.062 220 HD3 ARG 24 HD1 ARG 24 6.414 -0.042 -9.577 221 HH11 ARG 24 HH11 ARG 24 7.128 -1.645 -10.963 222 HH12 ARG 24 HH12 ARG 24 8.627 -2.360 -11.455 223 HH21 ARG 24 HH21 ARG 24 10.133 -2.077 -8.314 224 HH22 ARG 24 HH22 ARG 24 10.332 -2.606 -9.952 225 H TYR 25 HN TYR 25 3.946 4.469 -7.869 226 HA TYR 25 HA TYR 25 4.700 5.261 -5.150 227 HD1 TYR 25 HD1 TYR 25 5.280 5.327 -9.027 228 HD2 TYR 25 HD2 TYR 25 7.325 7.313 -5.868 229 HE1 TYR 25 HE1 TYR 25 7.433 4.768 -10.075 230 HE2 TYR 25 HE2 TYR 25 9.482 6.761 -6.910 231 HH TYR 25 HH TYR 25 10.258 6.229 -9.367 232 HB2 TYR 25 HB2 TYR 25 4.172 7.083 -7.500 233 HB3 TYR 25 HB1 TYR 25 5.001 7.478 -5.999 234 H LEU 26 HN LEU 26 3.386 7.398 -4.525 235 HA LEU 26 HA LEU 26 0.551 7.042 -5.125 236 HG LEU 26 HG LEU 26 0.714 4.671 -3.404 237 HB2 LEU 26 HB2 LEU 26 1.846 6.568 -2.508 238 HB3 LEU 26 HB1 LEU 26 0.373 7.514 -2.465 239 HD11 LEU 26 HD11 LEU 26 -1.002 5.941 -1.272 240 HD12 LEU 26 HD12 LEU 26 0.475 5.014 -0.998 241 HD13 LEU 26 HD13 LEU 26 -0.951 4.224 -1.672 242 HD21 LEU 26 HD21 LEU 26 -1.000 6.480 -4.603 243 HD22 LEU 26 HD22 LEU 26 -2.010 5.683 -3.400 244 HD23 LEU 26 HD23 LEU 26 -1.160 4.725 -4.611 245 H THR 27 HN THR 27 -0.627 8.785 -3.554 246 HA THR 27 HA THR 27 0.808 11.287 -3.386 247 HB THR 27 HB THR 27 -0.400 12.513 -4.970 248 HG1 THR 27 HG1 THR 27 -2.212 10.385 -5.384 249 HG21 THR 27 HG21 THR 27 1.118 10.959 -6.125 250 HG22 THR 27 HG22 THR 27 -0.290 11.394 -7.092 251 HG23 THR 27 HG23 THR 27 -0.218 9.821 -6.300 252 H GLU 28 HN GLU 28 -0.703 13.031 -2.501 253 HA GLU 28 HA GLU 28 -1.968 12.109 -0.194 254 HB2 GLU 28 HB2 GLU 28 -1.177 14.455 -0.604 255 HB3 GLU 28 HB1 GLU 28 -2.582 14.698 -1.631 256 HG2 GLU 28 HG2 GLU 28 -4.021 14.152 0.327 257 HG3 GLU 28 HG1 GLU 28 -2.564 14.122 1.320 258 H ARG 29 HN ARG 29 -3.411 13.208 -3.248 259 HA ARG 29 HA ARG 29 -6.085 12.726 -2.571 260 HE ARG 29 HE ARG 29 -5.679 14.579 -2.063 261 HB2 ARG 29 HB2 ARG 29 -4.839 12.585 -5.320 262 HB3 ARG 29 HB1 ARG 29 -6.541 12.841 -4.956 263 HG2 ARG 29 HG2 ARG 29 -4.386 14.726 -4.044 264 HG3 ARG 29 HG1 ARG 29 -5.208 14.884 -5.598 265 HD2 ARG 29 HD2 ARG 29 -6.425 16.289 -4.200 266 HD3 ARG 29 HD1 ARG 29 -7.377 14.805 -4.217 267 HH11 ARG 29 HH11 ARG 29 -8.167 16.801 -3.083 268 HH12 ARG 29 HH12 ARG 29 -8.636 17.213 -1.469 269 HH21 ARG 29 HH21 ARG 29 -6.294 15.119 0.062 270 HH22 ARG 29 HH22 ARG 29 -7.572 16.259 0.318 271 H ARG 30 HN ARG 30 -3.602 10.592 -3.876 272 HA ARG 30 HA ARG 30 -5.389 8.456 -4.494 273 HE ARG 30 HE ARG 30 -3.494 6.845 -8.898 274 HB2 ARG 30 HB2 ARG 30 -2.416 8.721 -4.262 275 HB3 ARG 30 HB1 ARG 30 -3.138 7.122 -4.373 276 HG2 ARG 30 HG2 ARG 30 -4.151 8.973 -6.380 277 HG3 ARG 30 HG1 ARG 30 -2.409 8.715 -6.482 278 HD2 ARG 30 HD2 ARG 30 -2.650 6.418 -6.831 279 HD3 ARG 30 HD1 ARG 30 -4.304 6.407 -6.221 280 HH11 ARG 30 HH11 ARG 30 -5.833 7.908 -6.535 281 HH12 ARG 30 HH12 ARG 30 -7.018 8.342 -7.721 282 HH21 ARG 30 HH21 ARG 30 -5.054 7.414 -10.458 283 HH22 ARG 30 HH22 ARG 30 -6.577 8.062 -9.947 284 H ARG 31 HN ARG 31 -3.195 9.095 -1.774 285 HA ARG 31 HA ARG 31 -3.778 6.733 -0.352 286 HE ARG 31 HE ARG 31 -0.151 7.418 3.691 287 HB2 ARG 31 HB2 ARG 31 -1.977 8.761 -0.057 288 HB3 ARG 31 HB1 ARG 31 -3.094 9.104 1.258 289 HG2 ARG 31 HG2 ARG 31 -2.529 7.234 2.414 290 HG3 ARG 31 HG1 ARG 31 -2.166 6.308 0.957 291 HD2 ARG 31 HD2 ARG 31 -0.021 6.628 1.495 292 HD3 ARG 31 HD1 ARG 31 -0.255 8.269 0.899 293 HH11 ARG 31 HH11 ARG 31 -0.579 10.011 1.386 294 HH12 ARG 31 HH12 ARG 31 -0.282 11.255 2.552 295 HH21 ARG 31 HH21 ARG 31 0.235 9.056 5.216 296 HH22 ARG 31 HH22 ARG 31 0.179 10.716 4.723 297 H GLN 32 HN GLN 32 -5.148 9.994 -0.217 298 HA GLN 32 HA GLN 32 -6.896 9.479 1.947 299 HB2 GLN 32 HB2 GLN 32 -7.947 11.571 1.401 300 HB3 GLN 32 HB1 GLN 32 -6.211 11.750 1.191 301 HG2 GLN 32 HG2 GLN 32 -6.869 12.750 -0.713 302 HG3 GLN 32 HG1 GLN 32 -6.846 11.089 -1.297 303 HE21 GLN 32 HE21 GLN 32 -8.320 12.354 -2.848 304 HE22 GLN 32 HE22 GLN 32 -10.010 12.283 -2.492 305 H GLN 33 HN GLN 33 -7.179 9.092 -1.540 306 HA GLN 33 HA GLN 33 -9.974 8.608 -1.597 307 HB2 GLN 33 HB2 GLN 33 -7.818 8.643 -3.475 308 HB3 GLN 33 HB1 GLN 33 -8.713 7.148 -3.689 309 HG2 GLN 33 HG2 GLN 33 -10.410 9.507 -3.412 310 HG3 GLN 33 HG1 GLN 33 -9.343 9.549 -4.814 311 HE21 GLN 33 HE21 GLN 33 -12.032 9.471 -5.172 312 HE22 GLN 33 HE22 GLN 33 -12.507 7.934 -5.803 313 H LEU 34 HN LEU 34 -7.161 6.436 -1.487 314 HA LEU 34 HA LEU 34 -8.656 4.039 -1.475 315 HG LEU 34 HG LEU 34 -7.060 3.829 -3.108 316 HB2 LEU 34 HB2 LEU 34 -5.852 4.765 -0.706 317 HB3 LEU 34 HB1 LEU 34 -6.462 3.150 -0.400 318 HD11 LEU 34 HD11 LEU 34 -4.367 3.765 -3.539 319 HD12 LEU 34 HD12 LEU 34 -4.490 4.838 -2.145 320 HD13 LEU 34 HD13 LEU 34 -5.377 5.208 -3.624 321 HD21 LEU 34 HD21 LEU 34 -6.705 1.579 -2.027 322 HD22 LEU 34 HD22 LEU 34 -4.975 1.912 -2.095 323 HD23 LEU 34 HD23 LEU 34 -5.914 1.815 -3.585 324 H SER 35 HN SER 35 -7.338 6.042 1.135 325 HA SER 35 HA SER 35 -7.986 4.346 3.271 326 HG SER 35 HG SER 35 -7.410 8.359 3.557 327 HB2 SER 35 HB2 SER 35 -7.974 6.515 4.620 328 HB3 SER 35 HB1 SER 35 -6.502 6.141 3.725 329 H SER 36 HN SER 36 -9.804 7.005 1.798 330 HA SER 36 HA SER 36 -12.058 6.735 3.515 331 HG SER 36 HG SER 36 -14.028 7.837 2.203 332 HB2 SER 36 HB2 SER 36 -11.362 8.788 2.145 333 HB3 SER 36 HB1 SER 36 -12.124 7.984 0.774 334 H GLU 37 HN GLU 37 -11.499 5.789 0.131 335 HA GLU 37 HA GLU 37 -14.008 4.602 -0.283 336 HB2 GLU 37 HB2 GLU 37 -11.344 4.297 -1.639 337 HB3 GLU 37 HB1 GLU 37 -12.742 3.362 -2.151 338 HG2 GLU 37 HG2 GLU 37 -13.333 6.192 -1.892 339 HG3 GLU 37 HG1 GLU 37 -12.034 5.868 -3.041 340 H LEU 38 HN LEU 38 -10.929 3.177 0.764 341 HA LEU 38 HA LEU 38 -12.105 0.537 0.914 342 HG LEU 38 HG LEU 38 -9.557 1.908 -0.523 343 HB2 LEU 38 HB2 LEU 38 -9.399 1.443 1.886 344 HB3 LEU 38 HB1 LEU 38 -9.916 -0.207 1.601 345 HD11 LEU 38 HD11 LEU 38 -7.774 0.092 -1.188 346 HD12 LEU 38 HD12 LEU 38 -7.820 -0.258 0.540 347 HD13 LEU 38 HD13 LEU 38 -7.398 1.360 -0.021 348 HD21 LEU 38 HD21 LEU 38 -11.086 -0.478 -0.536 349 HD22 LEU 38 HD22 LEU 38 -9.664 -0.742 -1.546 350 HD23 LEU 38 HD23 LEU 38 -10.742 0.614 -1.878 351 H GLY 39 HN GLY 39 -10.908 2.984 3.176 352 HA2 GLY 39 HA2 GLY 39 -12.052 3.375 5.256 353 HA3 GLY 39 HA1 GLY 39 -12.495 1.674 5.284 354 H LEU 40 HN LEU 40 -9.325 3.113 4.649 355 HA LEU 40 HA LEU 40 -8.346 1.904 7.148 356 HG LEU 40 HG LEU 40 -8.721 -0.073 5.275 357 HB2 LEU 40 HB2 LEU 40 -7.110 1.775 4.405 358 HB3 LEU 40 HB1 LEU 40 -6.203 1.442 5.868 359 HD11 LEU 40 HD11 LEU 40 -7.267 -0.208 3.277 360 HD12 LEU 40 HD12 LEU 40 -7.457 -1.755 4.104 361 HD13 LEU 40 HD13 LEU 40 -5.970 -0.826 4.301 362 HD21 LEU 40 HD21 LEU 40 -6.200 -0.845 6.736 363 HD22 LEU 40 HD22 LEU 40 -7.715 -1.745 6.674 364 HD23 LEU 40 HD23 LEU 40 -7.644 -0.194 7.511 365 H ASN 41 HN ASN 41 -6.050 2.753 7.636 366 HA ASN 41 HA ASN 41 -6.223 5.636 7.675 367 HB2 ASN 41 HB2 ASN 41 -5.486 4.131 9.620 368 HB3 ASN 41 HB1 ASN 41 -3.949 3.990 8.772 369 HD21 ASN 41 HD21 ASN 41 -2.944 4.994 10.559 370 HD22 ASN 41 HD22 ASN 41 -3.029 6.705 10.780 371 H GLU 42 HN GLU 42 -4.870 7.079 6.693 372 HA GLU 42 HA GLU 42 -3.776 6.499 4.223 373 HB2 GLU 42 HB2 GLU 42 -3.475 8.743 6.158 374 HB3 GLU 42 HB1 GLU 42 -2.332 8.656 4.825 375 HG2 GLU 42 HG2 GLU 42 -3.888 9.177 3.270 376 HG3 GLU 42 HG1 GLU 42 -5.190 8.370 4.141 377 H ALA 43 HN ALA 43 -2.222 6.527 7.391 378 HA ALA 43 HA ALA 43 0.427 6.159 6.496 379 HB1 ALA 43 HB1 ALA 43 0.870 5.392 8.810 380 HB2 ALA 43 HB2 ALA 43 -0.867 5.421 9.117 381 HB3 ALA 43 HB3 ALA 43 -0.014 6.918 8.739 382 H GLN 44 HN GLN 44 -2.205 3.926 7.139 383 HA GLN 44 HA GLN 44 -0.638 1.556 7.076 384 HB2 GLN 44 HB2 GLN 44 -3.471 2.253 7.225 385 HB3 GLN 44 HB1 GLN 44 -3.180 0.806 6.268 386 HG2 GLN 44 HG2 GLN 44 -3.281 -0.243 8.235 387 HG3 GLN 44 HG1 GLN 44 -1.620 0.316 8.424 388 HE21 GLN 44 HE21 GLN 44 -1.609 2.735 9.215 389 HE22 GLN 44 HE22 GLN 44 -2.582 3.022 10.614 390 H ILE 45 HN ILE 45 -2.428 3.386 4.651 391 HA ILE 45 HA ILE 45 -2.088 1.534 2.535 392 HB ILE 45 HB ILE 45 -2.425 4.524 2.288 393 HG12 ILE 45 HG12 ILE 45 -4.575 2.399 2.382 394 HG13 ILE 45 HG11 ILE 45 -4.154 3.440 3.738 395 HG21 ILE 45 HG21 ILE 45 -1.922 3.803 0.161 396 HG22 ILE 45 HG22 ILE 45 -3.680 3.649 0.172 397 HG23 ILE 45 HG23 ILE 45 -2.668 2.223 0.404 398 HD11 ILE 45 HD11 ILE 45 -5.213 4.353 1.078 399 HD12 ILE 45 HD12 ILE 45 -4.796 5.396 2.438 400 HD13 ILE 45 HD13 ILE 45 -6.123 4.245 2.583 401 H LYS 46 HN LYS 46 -0.254 4.374 3.591 402 HA LYS 46 HA LYS 46 1.621 4.438 1.517 403 HB2 LYS 46 HB2 LYS 46 1.161 5.985 3.679 404 HB3 LYS 46 HB1 LYS 46 2.580 5.112 4.239 405 HG2 LYS 46 HG2 LYS 46 3.006 6.023 1.558 406 HG3 LYS 46 HG1 LYS 46 2.483 7.368 2.573 407 HD2 LYS 46 HD2 LYS 46 4.245 6.436 4.248 408 HD3 LYS 46 HD1 LYS 46 4.908 5.632 2.824 409 HE2 LYS 46 HE2 LYS 46 4.410 8.284 2.055 410 HE3 LYS 46 HE1 LYS 46 5.147 8.376 3.654 411 HZ1 LYS 46 HZ1 LYS 46 6.346 7.739 1.155 412 HZ2 LYS 46 HZ2 LYS 46 6.622 6.506 2.280 413 HZ3 LYS 46 HZ3 LYS 46 7.082 8.094 2.637 414 H ILE 47 HN ILE 47 1.681 2.743 4.636 415 HA ILE 47 HA ILE 47 4.243 1.615 4.351 416 HB ILE 47 HB ILE 47 1.880 0.524 5.889 417 HG12 ILE 47 HG12 ILE 47 4.186 2.004 7.102 418 HG13 ILE 47 HG11 ILE 47 2.875 2.911 6.354 419 HG21 ILE 47 HG21 ILE 47 3.330 -1.268 5.821 420 HG22 ILE 47 HG22 ILE 47 3.864 -0.434 7.280 421 HG23 ILE 47 HG23 ILE 47 4.764 -0.242 5.776 422 HD11 ILE 47 HD11 ILE 47 1.783 0.919 8.084 423 HD12 ILE 47 HD12 ILE 47 1.641 2.675 8.171 424 HD13 ILE 47 HD13 ILE 47 2.996 1.861 8.951 425 H TRP 48 HN TRP 48 1.037 0.473 3.371 426 HA TRP 48 HA TRP 48 1.782 -2.111 2.579 427 HD1 TRP 48 HD1 TRP 48 -0.820 -4.051 2.181 428 HE1 TRP 48 HE1 TRP 48 -1.343 -5.254 -0.031 429 HE3 TRP 48 HE3 TRP 48 0.000 -0.182 -1.068 430 HZ2 TRP 48 HZ2 TRP 48 -1.397 -4.651 -2.786 431 HZ3 TRP 48 HZ3 TRP 48 -0.306 -0.584 -3.476 432 HH2 TRP 48 HH2 TRP 48 -0.991 -2.773 -4.316 433 HB2 TRP 48 HB2 TRP 48 -0.559 -1.490 2.819 434 HB3 TRP 48 HB1 TRP 48 -0.415 -0.329 1.503 435 H PHE 49 HN PHE 49 1.686 0.932 0.757 436 HA PHE 49 HA PHE 49 2.428 -0.168 -1.729 437 HD1 PHE 49 HD2 PHE 49 3.126 1.902 -4.049 438 HD2 PHE 49 HD1 PHE 49 -0.186 2.199 -1.395 439 HE1 PHE 49 HE2 PHE 49 1.600 2.047 -5.973 440 HE2 PHE 49 HE1 PHE 49 -1.717 2.341 -3.314 441 HZ PHE 49 HZ PHE 49 -0.824 2.266 -5.607 442 HB2 PHE 49 HB2 PHE 49 2.055 2.479 -0.594 443 HB3 PHE 49 HB1 PHE 49 3.431 2.442 -1.690 444 H GLN 50 HN GLN 50 4.353 1.360 0.836 445 HA GLN 50 HA GLN 50 6.846 1.100 -0.445 446 HB2 GLN 50 HB2 GLN 50 5.860 1.969 2.115 447 HB3 GLN 50 HB1 GLN 50 7.278 0.955 2.342 448 HG2 GLN 50 HG2 GLN 50 8.567 2.373 0.865 449 HG3 GLN 50 HG1 GLN 50 7.143 3.359 0.536 450 HE21 GLN 50 HE21 GLN 50 9.762 2.769 2.635 451 HE22 GLN 50 HE22 GLN 50 9.411 3.996 3.799 452 H ASN 51 HN ASN 51 5.120 -1.021 1.810 453 HA ASN 51 HA ASN 51 7.213 -2.927 2.036 454 HB2 ASN 51 HB2 ASN 51 4.786 -2.510 3.300 455 HB3 ASN 51 HB1 ASN 51 4.528 -4.013 2.422 456 HD21 ASN 51 HD21 ASN 51 6.995 -2.441 4.430 457 HD22 ASN 51 HD22 ASN 51 7.412 -3.858 5.326 458 H LYS 52 HN LYS 52 4.481 -2.565 -0.150 459 HA LYS 52 HA LYS 52 4.636 -5.135 -1.319 460 HB2 LYS 52 HB2 LYS 52 2.830 -3.174 -1.494 461 HB3 LYS 52 HB1 LYS 52 3.722 -2.836 -2.970 462 HG2 LYS 52 HG2 LYS 52 1.999 -4.237 -3.653 463 HG3 LYS 52 HG1 LYS 52 3.390 -5.314 -3.514 464 HD2 LYS 52 HD2 LYS 52 2.598 -5.907 -1.218 465 HD3 LYS 52 HD1 LYS 52 1.138 -4.969 -1.538 466 HE2 LYS 52 HE2 LYS 52 0.311 -6.501 -3.010 467 HE3 LYS 52 HE1 LYS 52 1.913 -7.030 -3.527 468 HZ1 LYS 52 HZ1 LYS 52 2.158 -8.302 -1.547 469 HZ2 LYS 52 HZ2 LYS 52 0.654 -8.696 -2.211 470 HZ3 LYS 52 HZ3 LYS 52 0.742 -7.664 -0.874 471 H ARG 53 HN ARG 53 6.158 -2.045 -2.083 472 HA ARG 53 HA ARG 53 7.328 -2.820 -4.527 473 HE ARG 53 HE ARG 53 11.377 -0.223 -3.826 474 HB2 ARG 53 HB2 ARG 53 7.089 -0.466 -3.646 475 HB3 ARG 53 HB1 ARG 53 8.446 -0.803 -2.579 476 HG2 ARG 53 HG2 ARG 53 9.747 -1.394 -4.684 477 HG3 ARG 53 HG1 ARG 53 8.425 -0.633 -5.572 478 HD2 ARG 53 HD2 ARG 53 9.712 1.209 -5.322 479 HD3 ARG 53 HD1 ARG 53 8.899 1.280 -3.759 480 HH11 ARG 53 HH11 ARG 53 9.834 2.843 -3.174 481 HH12 ARG 53 HH12 ARG 53 11.115 3.410 -2.156 482 HH21 ARG 53 HH21 ARG 53 13.060 0.526 -2.490 483 HH22 ARG 53 HH22 ARG 53 12.945 2.097 -1.769 484 H ALA 54 HN ALA 54 8.255 -3.305 -1.202 485 HA ALA 54 HA ALA 54 10.964 -3.974 -1.611 486 HB1 ALA 54 HB1 ALA 54 9.053 -4.800 0.570 487 HB2 ALA 54 HB2 ALA 54 10.164 -3.431 0.592 488 HB3 ALA 54 HB3 ALA 54 10.794 -5.078 0.604 489 H LYS 55 HN LYS 55 8.032 -5.707 -2.185 490 HA LYS 55 HA LYS 55 9.159 -8.333 -2.119 491 HB2 LYS 55 HB2 LYS 55 6.644 -7.394 -3.509 492 HB3 LYS 55 HB1 LYS 55 7.056 -9.053 -3.102 493 HG2 LYS 55 HG2 LYS 55 6.493 -6.823 -1.158 494 HG3 LYS 55 HG1 LYS 55 5.432 -8.181 -1.542 495 HD2 LYS 55 HD2 LYS 55 6.390 -9.286 0.139 496 HD3 LYS 55 HD1 LYS 55 7.860 -9.352 -0.834 497 HE2 LYS 55 HE2 LYS 55 8.535 -7.168 0.129 498 HE3 LYS 55 HE1 LYS 55 7.113 -7.225 1.169 499 HZ1 LYS 55 HZ1 LYS 55 8.346 -9.630 1.571 500 HZ2 LYS 55 HZ2 LYS 55 8.401 -8.297 2.608 501 HZ3 LYS 55 HZ3 LYS 55 9.633 -8.535 1.473 502 H ILE 56 HN ILE 56 8.458 -5.973 -4.661 503 HA ILE 56 HA ILE 56 9.479 -7.726 -6.729 504 HB ILE 56 HB ILE 56 8.713 -4.816 -6.971 505 HG12 ILE 56 HG12 ILE 56 6.620 -6.040 -8.057 506 HG13 ILE 56 HG11 ILE 56 7.081 -7.315 -6.933 507 HG21 ILE 56 HG21 ILE 56 9.928 -6.607 -8.774 508 HG22 ILE 56 HG22 ILE 56 9.310 -4.988 -9.101 509 HG23 ILE 56 HG23 ILE 56 8.263 -6.389 -9.316 510 HD11 ILE 56 HD11 ILE 56 6.853 -4.559 -5.872 511 HD12 ILE 56 HD12 ILE 56 6.488 -6.106 -5.108 512 HD13 ILE 56 HD13 ILE 56 5.368 -5.417 -6.283 513 H LYS 57 HN LYS 57 10.352 -4.485 -5.510 514 HA LYS 57 HA LYS 57 12.863 -4.457 -6.853 515 HB2 LYS 57 HB2 LYS 57 11.298 -2.648 -5.259 516 HB3 LYS 57 HB1 LYS 57 12.956 -2.653 -4.675 517 HG2 LYS 57 HG2 LYS 57 12.124 -2.178 -7.530 518 HG3 LYS 57 HG1 LYS 57 12.555 -0.924 -6.366 519 HD2 LYS 57 HD2 LYS 57 14.412 -3.172 -7.116 520 HD3 LYS 57 HD1 LYS 57 14.382 -1.627 -7.969 521 HE2 LYS 57 HE2 LYS 57 16.016 -1.188 -6.437 522 HE3 LYS 57 HE1 LYS 57 14.603 -0.669 -5.520 523 HZ1 LYS 57 HZ1 LYS 57 16.431 -2.392 -4.611 524 HZ2 LYS 57 HZ2 LYS 57 15.287 -3.468 -5.240 525 HZ3 LYS 57 HZ3 LYS 57 14.830 -2.341 -4.064 526 H LYS 58 HN LYS 58 14.231 -6.080 -6.334 527 HA LYS 58 HA LYS 58 14.645 -6.850 -3.573 528 HB2 LYS 58 HB2 LYS 58 14.866 -8.160 -6.017 529 HB3 LYS 58 HB1 LYS 58 16.531 -7.967 -5.488 530 HG2 LYS 58 HG2 LYS 58 14.787 -8.877 -3.351 531 HG3 LYS 58 HG1 LYS 58 14.794 -9.969 -4.737 532 HD2 LYS 58 HD2 LYS 58 17.475 -9.158 -4.225 533 HD3 LYS 58 HD1 LYS 58 16.754 -9.675 -2.700 534 HE2 LYS 58 HE2 LYS 58 16.067 -11.468 -4.865 535 HE3 LYS 58 HE1 LYS 58 17.814 -11.304 -4.692 536 HZ1 LYS 58 HZ1 LYS 58 15.943 -11.997 -2.492 537 HZ2 LYS 58 HZ2 LYS 58 17.628 -11.907 -2.378 538 HZ3 LYS 58 HZ3 LYS 58 16.909 -13.104 -3.332 539 H SER 59 HN SER 59 16.208 -6.128 -2.281 540 HA SER 59 HA SER 59 18.219 -4.326 -3.426 541 HG SER 59 HG SER 59 16.860 -5.439 -0.215 542 HB2 SER 59 HB2 SER 59 18.518 -3.998 -0.761 543 HB3 SER 59 HB1 SER 59 17.354 -3.085 -1.720 Start of MODEL 8 1 HA MET -1 HA MET -1 -10.550 -11.686 19.938 2 H1 MET -1 HT1 MET -1 -10.628 -12.248 22.807 3 H2 MET -1 HT2 MET -1 -10.605 -13.512 21.647 4 H3 MET -1 HT3 MET -1 -11.877 -12.360 21.638 5 HB2 MET -1 HB2 MET -1 -11.063 -10.039 21.898 6 HB3 MET -1 HB1 MET -1 -9.333 -10.130 22.199 7 HG2 MET -1 HG2 MET -1 -8.804 -9.144 20.155 8 HG3 MET -1 HG1 MET -1 -10.403 -9.459 19.485 9 HE1 MET -1 HE1 MET -1 -12.005 -7.470 19.134 10 HE2 MET -1 HE2 MET -1 -12.567 -6.614 20.569 11 HE3 MET -1 HE3 MET -1 -12.593 -8.377 20.527 12 H ASP 0 HN ASP 0 -9.041 -12.948 18.991 13 HA ASP 0 HA ASP 0 -6.674 -13.828 20.330 14 HB2 ASP 0 HB2 ASP 0 -7.840 -14.119 17.612 15 HB3 ASP 0 HB1 ASP 0 -6.097 -14.326 17.757 16 H GLU 1 HN GLU 1 -6.904 -11.959 17.306 17 HA GLU 1 HA GLU 1 -4.303 -10.867 17.602 18 HB2 GLU 1 HB2 GLU 1 -6.611 -10.184 15.786 19 HB3 GLU 1 HB1 GLU 1 -5.070 -9.339 15.715 20 HG2 GLU 1 HG2 GLU 1 -4.886 -12.266 15.621 21 HG3 GLU 1 HG1 GLU 1 -5.698 -11.516 14.247 22 H LYS 2 HN LYS 2 -3.762 -8.599 17.803 23 HA LYS 2 HA LYS 2 -5.741 -6.867 19.039 24 HB2 LYS 2 HB2 LYS 2 -4.458 -8.362 20.785 25 HB3 LYS 2 HB1 LYS 2 -3.167 -7.197 20.525 26 HG2 LYS 2 HG2 LYS 2 -4.333 -5.477 21.490 27 HG3 LYS 2 HG1 LYS 2 -5.903 -6.197 21.134 28 HD2 LYS 2 HD2 LYS 2 -5.837 -6.646 23.359 29 HD3 LYS 2 HD1 LYS 2 -4.956 -8.065 22.791 30 HE2 LYS 2 HE2 LYS 2 -3.303 -5.679 23.243 31 HE3 LYS 2 HE1 LYS 2 -4.059 -6.339 24.692 32 HZ1 LYS 2 HZ1 LYS 2 -1.888 -7.377 23.137 33 HZ2 LYS 2 HZ2 LYS 2 -3.090 -8.534 23.412 34 HZ3 LYS 2 HZ3 LYS 2 -2.357 -7.751 24.719 35 H ARG 3 HN ARG 3 -2.357 -7.304 18.068 36 HA ARG 3 HA ARG 3 -2.408 -4.585 16.968 37 HE ARG 3 HE ARG 3 0.073 -2.626 17.272 38 HB2 ARG 3 HB2 ARG 3 -0.409 -5.736 18.884 39 HB3 ARG 3 HB1 ARG 3 0.095 -4.519 17.720 40 HG2 ARG 3 HG2 ARG 3 -2.172 -3.412 18.792 41 HG3 ARG 3 HG1 ARG 3 -1.451 -4.242 20.172 42 HD2 ARG 3 HD2 ARG 3 -0.657 -1.944 20.016 43 HD3 ARG 3 HD1 ARG 3 0.663 -3.086 19.771 44 HH11 ARG 3 HH11 ARG 3 0.128 -0.297 19.879 45 HH12 ARG 3 HH12 ARG 3 0.522 1.032 18.843 46 HH21 ARG 3 HH21 ARG 3 0.596 -0.878 15.919 47 HH22 ARG 3 HH22 ARG 3 0.789 0.704 16.599 48 HA PRO 4 HA PRO 4 -0.759 -7.764 13.970 49 HB2 PRO 4 HB2 PRO 4 -2.434 -7.181 11.931 50 HB3 PRO 4 HB1 PRO 4 -2.869 -8.309 13.221 51 HG2 PRO 4 HG2 PRO 4 -3.622 -5.430 12.888 52 HG3 PRO 4 HG1 PRO 4 -4.634 -6.801 13.380 53 HD2 PRO 4 HD2 PRO 4 -3.578 -5.033 15.154 54 HD3 PRO 4 HD1 PRO 4 -3.886 -6.734 15.555 55 H ARG 5 HN ARG 5 -0.494 -7.128 11.392 56 HA ARG 5 HA ARG 5 0.598 -4.401 11.295 57 HE ARG 5 HE ARG 5 1.781 -2.747 9.626 58 HB2 ARG 5 HB2 ARG 5 2.431 -5.996 11.754 59 HB3 ARG 5 HB1 ARG 5 2.018 -6.873 10.287 60 HG2 ARG 5 HG2 ARG 5 3.856 -5.522 9.733 61 HG3 ARG 5 HG1 ARG 5 2.448 -4.721 9.033 62 HD2 ARG 5 HD2 ARG 5 3.205 -3.929 11.781 63 HD3 ARG 5 HD1 ARG 5 4.298 -3.438 10.487 64 HH11 ARG 5 HH11 ARG 5 3.798 -1.973 12.368 65 HH12 ARG 5 HH12 ARG 5 3.124 -0.391 12.575 66 HH21 ARG 5 HH21 ARG 5 0.896 -0.666 9.896 67 HH22 ARG 5 HH22 ARG 5 1.477 0.351 11.172 68 H THR 6 HN THR 6 0.454 -7.205 9.092 69 HA THR 6 HA THR 6 -0.698 -5.431 7.056 70 HB THR 6 HB THR 6 -0.105 -7.714 5.705 71 HG1 THR 6 HG1 THR 6 1.050 -8.890 7.005 72 HG21 THR 6 HG21 THR 6 1.633 -5.351 6.300 73 HG22 THR 6 HG22 THR 6 0.704 -5.705 4.843 74 HG23 THR 6 HG23 THR 6 2.149 -6.644 5.218 75 H ALA 7 HN ALA 7 -2.658 -5.821 8.598 76 HA ALA 7 HA ALA 7 -4.071 -8.290 7.900 77 HB1 ALA 7 HB1 ALA 7 -5.243 -6.284 9.754 78 HB2 ALA 7 HB2 ALA 7 -3.842 -7.208 10.298 79 HB3 ALA 7 HB3 ALA 7 -5.312 -8.046 9.801 80 H PHE 8 HN PHE 8 -4.595 -7.777 5.745 81 HA PHE 8 HA PHE 8 -6.589 -5.626 5.443 82 HD1 PHE 8 HD1 PHE 8 -2.749 -5.906 4.776 83 HD2 PHE 8 HD2 PHE 8 -5.890 -3.341 3.486 84 HE1 PHE 8 HE1 PHE 8 -1.347 -3.946 5.275 85 HE2 PHE 8 HE2 PHE 8 -4.495 -1.377 3.983 86 HZ PHE 8 HZ PHE 8 -2.220 -1.677 4.878 87 HB2 PHE 8 HB2 PHE 8 -4.617 -6.743 3.445 88 HB3 PHE 8 HB1 PHE 8 -5.950 -5.684 2.998 89 H SER 9 HN SER 9 -7.962 -6.131 3.340 90 HA SER 9 HA SER 9 -8.981 -8.879 3.652 91 HG SER 9 HG SER 9 -9.961 -5.734 2.302 92 HB2 SER 9 HB2 SER 9 -11.172 -8.096 3.293 93 HB3 SER 9 HB1 SER 9 -10.451 -6.856 4.321 94 H SER 10 HN SER 10 -9.839 -9.916 1.746 95 HA SER 10 HA SER 10 -8.180 -9.825 -0.472 96 HG SER 10 HG SER 10 -9.435 -11.897 1.027 97 HB2 SER 10 HB2 SER 10 -10.950 -10.670 -1.036 98 HB3 SER 10 HB1 SER 10 -9.434 -11.543 -1.258 99 H GLU 11 HN GLU 11 -11.256 -8.183 0.097 100 HA GLU 11 HA GLU 11 -11.617 -7.115 -2.473 101 HB2 GLU 11 HB2 GLU 11 -13.220 -7.147 -0.429 102 HB3 GLU 11 HB1 GLU 11 -12.430 -5.641 0.017 103 HG2 GLU 11 HG2 GLU 11 -13.463 -4.470 -1.591 104 HG3 GLU 11 HG1 GLU 11 -13.347 -5.779 -2.766 105 H GLN 12 HN GLN 12 -10.016 -5.784 0.403 106 HA GLN 12 HA GLN 12 -9.214 -3.356 -0.836 107 HB2 GLN 12 HB2 GLN 12 -8.041 -4.810 1.547 108 HB3 GLN 12 HB1 GLN 12 -7.629 -3.169 1.072 109 HG2 GLN 12 HG2 GLN 12 -9.669 -2.321 1.732 110 HG3 GLN 12 HG1 GLN 12 -10.473 -3.886 1.612 111 HE21 GLN 12 HE21 GLN 12 -10.871 -2.381 3.818 112 HE22 GLN 12 HE22 GLN 12 -10.068 -3.079 5.180 113 H LEU 13 HN LEU 13 -7.892 -6.569 -0.653 114 HA LEU 13 HA LEU 13 -5.264 -6.020 -1.515 115 HG LEU 13 HG LEU 13 -5.184 -9.410 -0.125 116 HB2 LEU 13 HB2 LEU 13 -7.006 -8.399 -1.268 117 HB3 LEU 13 HB1 LEU 13 -5.685 -8.537 -2.411 118 HD11 LEU 13 HD11 LEU 13 -2.981 -8.219 0.050 119 HD12 LEU 13 HD12 LEU 13 -3.530 -7.171 -1.258 120 HD13 LEU 13 HD13 LEU 13 -3.352 -8.904 -1.531 121 HD21 LEU 13 HD21 LEU 13 -6.142 -8.047 1.444 122 HD22 LEU 13 HD22 LEU 13 -5.755 -6.570 0.562 123 HD23 LEU 13 HD23 LEU 13 -4.493 -7.420 1.452 124 H ALA 14 HN ALA 14 -8.187 -7.003 -3.283 125 HA ALA 14 HA ALA 14 -7.018 -7.105 -5.837 126 HB1 ALA 14 HB1 ALA 14 -9.036 -8.114 -5.947 127 HB2 ALA 14 HB2 ALA 14 -9.574 -6.504 -6.424 128 HB3 ALA 14 HB3 ALA 14 -9.761 -7.037 -4.753 129 H ARG 15 HN ARG 15 -8.796 -4.514 -4.181 130 HA ARG 15 HA ARG 15 -8.605 -2.635 -6.286 131 HE ARG 15 HE ARG 15 -12.263 -2.165 -6.981 132 HB2 ARG 15 HB2 ARG 15 -8.862 -2.097 -3.326 133 HB3 ARG 15 HB1 ARG 15 -9.256 -0.978 -4.623 134 HG2 ARG 15 HG2 ARG 15 -10.665 -3.500 -4.887 135 HG3 ARG 15 HG1 ARG 15 -10.995 -2.701 -3.349 136 HD2 ARG 15 HD2 ARG 15 -12.221 -1.111 -4.328 137 HD3 ARG 15 HD1 ARG 15 -11.019 -0.851 -5.591 138 HH11 ARG 15 HH11 ARG 15 -13.247 -2.792 -3.692 139 HH12 ARG 15 HH12 ARG 15 -14.573 -3.809 -4.150 140 HH21 ARG 15 HH21 ARG 15 -14.005 -3.502 -7.585 141 HH22 ARG 15 HH22 ARG 15 -15.002 -4.212 -6.360 142 H LEU 16 HN LEU 16 -6.609 -3.240 -3.428 143 HA LEU 16 HA LEU 16 -4.842 -1.077 -3.777 144 HG LEU 16 HG LEU 16 -5.873 -1.607 -1.369 145 HB2 LEU 16 HB2 LEU 16 -4.684 -3.690 -2.321 146 HB3 LEU 16 HB1 LEU 16 -3.272 -2.660 -2.433 147 HD11 LEU 16 HD11 LEU 16 -4.958 -3.729 -0.183 148 HD12 LEU 16 HD12 LEU 16 -5.422 -2.325 0.778 149 HD13 LEU 16 HD13 LEU 16 -3.720 -2.634 0.431 150 HD21 LEU 16 HD21 LEU 16 -3.856 -0.373 -0.047 151 HD22 LEU 16 HD22 LEU 16 -4.593 0.238 -1.528 152 HD23 LEU 16 HD23 LEU 16 -3.092 -0.683 -1.605 153 H LYS 17 HN LYS 17 -4.651 -4.466 -4.824 154 HA LYS 17 HA LYS 17 -2.110 -4.312 -6.016 155 HB2 LYS 17 HB2 LYS 17 -4.471 -6.130 -6.431 156 HB3 LYS 17 HB1 LYS 17 -3.024 -6.285 -7.417 157 HG2 LYS 17 HG2 LYS 17 -1.786 -6.399 -5.145 158 HG3 LYS 17 HG1 LYS 17 -3.379 -6.785 -4.494 159 HD2 LYS 17 HD2 LYS 17 -2.702 -8.305 -6.896 160 HD3 LYS 17 HD1 LYS 17 -1.601 -8.591 -5.547 161 HE2 LYS 17 HE2 LYS 17 -3.558 -9.050 -4.103 162 HE3 LYS 17 HE1 LYS 17 -4.604 -8.866 -5.510 163 HZ1 LYS 17 HZ1 LYS 17 -3.712 -11.205 -4.743 164 HZ2 LYS 17 HZ2 LYS 17 -2.390 -10.766 -5.703 165 HZ3 LYS 17 HZ3 LYS 17 -3.939 -10.839 -6.379 166 H ARG 18 HN ARG 18 -5.348 -3.680 -7.263 167 HA ARG 18 HA ARG 18 -4.667 -3.351 -9.970 168 HE ARG 18 HE ARG 18 -9.784 -3.087 -11.544 169 HB2 ARG 18 HB2 ARG 18 -6.995 -3.534 -8.865 170 HB3 ARG 18 HB1 ARG 18 -6.857 -1.800 -8.611 171 HG2 ARG 18 HG2 ARG 18 -6.369 -1.708 -11.150 172 HG3 ARG 18 HG1 ARG 18 -7.090 -3.320 -11.172 173 HD2 ARG 18 HD2 ARG 18 -8.909 -1.981 -9.690 174 HD3 ARG 18 HD1 ARG 18 -8.339 -0.685 -10.739 175 HH11 ARG 18 HH11 ARG 18 -8.115 -0.169 -12.507 176 HH12 ARG 18 HH12 ARG 18 -8.817 -0.146 -14.088 177 HH21 ARG 18 HH21 ARG 18 -10.700 -3.051 -13.624 178 HH22 ARG 18 HH22 ARG 18 -10.281 -1.780 -14.723 179 H GLU 19 HN GLU 19 -4.881 -1.022 -7.305 180 HA GLU 19 HA GLU 19 -4.268 1.272 -8.821 181 HB2 GLU 19 HB2 GLU 19 -3.716 0.779 -5.889 182 HB3 GLU 19 HB1 GLU 19 -3.807 2.346 -6.681 183 HG2 GLU 19 HG2 GLU 19 -6.194 0.744 -7.090 184 HG3 GLU 19 HG1 GLU 19 -5.856 1.052 -5.387 185 H PHE 20 HN PHE 20 -2.247 -1.040 -7.080 186 HA PHE 20 HA PHE 20 0.193 0.347 -7.373 187 HD1 PHE 20 HD1 PHE 20 1.885 -3.091 -8.347 188 HD2 PHE 20 HD2 PHE 20 1.800 -0.558 -4.929 189 HE1 PHE 20 HE1 PHE 20 4.331 -3.269 -8.160 190 HE2 PHE 20 HE2 PHE 20 4.247 -0.731 -4.735 191 HZ PHE 20 HZ PHE 20 5.516 -2.087 -6.352 192 HB2 PHE 20 HB2 PHE 20 -0.215 -1.540 -5.778 193 HB3 PHE 20 HB1 PHE 20 -0.189 -2.645 -7.148 194 H ASN 21 HN ASN 21 -1.467 -2.026 -9.387 195 HA ASN 21 HA ASN 21 0.609 -2.473 -11.229 196 HB2 ASN 21 HB2 ASN 21 -2.337 -2.886 -11.203 197 HB3 ASN 21 HB1 ASN 21 -1.538 -2.897 -12.773 198 HD21 ASN 21 HD21 ASN 21 -0.019 -4.500 -13.230 199 HD22 ASN 21 HD22 ASN 21 0.068 -5.959 -12.309 200 H GLU 22 HN GLU 22 -1.694 0.107 -10.870 201 HA GLU 22 HA GLU 22 -1.185 1.219 -13.489 202 HB2 GLU 22 HB2 GLU 22 -2.840 2.034 -11.123 203 HB3 GLU 22 HB1 GLU 22 -2.502 3.193 -12.400 204 HG2 GLU 22 HG2 GLU 22 -3.733 2.032 -13.966 205 HG3 GLU 22 HG1 GLU 22 -3.610 0.510 -13.084 206 H ASN 23 HN ASN 23 -0.266 1.841 -10.145 207 HA ASN 23 HA ASN 23 2.140 3.147 -10.953 208 HB2 ASN 23 HB2 ASN 23 -0.155 4.789 -10.604 209 HB3 ASN 23 HB1 ASN 23 0.922 5.093 -9.245 210 HD21 ASN 23 HD21 ASN 23 2.870 6.083 -9.587 211 HD22 ASN 23 HD22 ASN 23 3.317 6.792 -11.098 212 H ARG 24 HN ARG 24 3.491 2.169 -9.602 213 HA ARG 24 HA ARG 24 2.714 1.247 -7.012 214 HE ARG 24 HE ARG 24 8.783 2.123 -8.576 215 HB2 ARG 24 HB2 ARG 24 5.164 0.694 -6.794 216 HB3 ARG 24 HB1 ARG 24 4.345 -0.037 -8.167 217 HG2 ARG 24 HG2 ARG 24 5.438 1.294 -9.700 218 HG3 ARG 24 HG1 ARG 24 5.796 2.548 -8.511 219 HD2 ARG 24 HD2 ARG 24 7.307 0.869 -7.381 220 HD3 ARG 24 HD1 ARG 24 7.093 -0.153 -8.802 221 HH11 ARG 24 HH11 ARG 24 6.777 0.366 -10.827 222 HH12 ARG 24 HH12 ARG 24 7.660 0.894 -12.219 223 HH21 ARG 24 HH21 ARG 24 9.945 2.820 -10.407 224 HH22 ARG 24 HH22 ARG 24 9.459 2.287 -11.981 225 H TYR 25 HN TYR 25 3.415 4.292 -8.065 226 HA TYR 25 HA TYR 25 4.646 5.116 -5.531 227 HD1 TYR 25 HD2 TYR 25 6.353 4.635 -8.889 228 HD2 TYR 25 HD1 TYR 25 6.880 7.232 -5.562 229 HE1 TYR 25 HE2 TYR 25 8.743 4.064 -8.830 230 HE2 TYR 25 HE1 TYR 25 9.273 6.670 -5.493 231 HH TYR 25 HH TYR 25 10.830 4.950 -8.020 232 HB2 TYR 25 HB2 TYR 25 4.654 6.265 -8.298 233 HB3 TYR 25 HB1 TYR 25 4.870 7.341 -6.922 234 H LEU 26 HN LEU 26 3.291 5.924 -4.067 235 HA LEU 26 HA LEU 26 0.666 6.838 -4.908 236 HG LEU 26 HG LEU 26 0.584 4.316 -3.289 237 HB2 LEU 26 HB2 LEU 26 1.908 6.041 -2.327 238 HB3 LEU 26 HB1 LEU 26 0.554 7.148 -2.266 239 HD11 LEU 26 HD11 LEU 26 0.319 4.593 -0.890 240 HD12 LEU 26 HD12 LEU 26 -1.202 4.063 -1.608 241 HD13 LEU 26 HD13 LEU 26 -0.988 5.753 -1.146 242 HD21 LEU 26 HD21 LEU 26 -2.033 5.455 -3.342 243 HD22 LEU 26 HD22 LEU 26 -1.119 4.715 -4.656 244 HD23 LEU 26 HD23 LEU 26 -0.965 6.442 -4.338 245 H THR 27 HN THR 27 -0.134 8.681 -3.287 246 HA THR 27 HA THR 27 1.784 10.831 -2.984 247 HB THR 27 HB THR 27 0.750 12.377 -4.444 248 HG1 THR 27 HG1 THR 27 -1.352 12.221 -4.408 249 HG21 THR 27 HG21 THR 27 0.705 9.747 -5.904 250 HG22 THR 27 HG22 THR 27 2.092 10.822 -5.726 251 HG23 THR 27 HG23 THR 27 0.686 11.343 -6.654 252 H GLU 28 HN GLU 28 0.572 12.821 -2.045 253 HA GLU 28 HA GLU 28 -0.755 12.045 0.281 254 HB2 GLU 28 HB2 GLU 28 0.256 14.409 -0.688 255 HB3 GLU 28 HB1 GLU 28 -1.473 14.728 -0.687 256 HG2 GLU 28 HG2 GLU 28 -1.546 14.044 1.693 257 HG3 GLU 28 HG1 GLU 28 0.210 13.885 1.660 258 H ARG 29 HN ARG 29 -2.087 13.423 -2.705 259 HA ARG 29 HA ARG 29 -4.787 13.325 -1.971 260 HE ARG 29 HE ARG 29 -5.564 17.755 -4.719 261 HB2 ARG 29 HB2 ARG 29 -3.367 13.352 -4.618 262 HB3 ARG 29 HB1 ARG 29 -5.118 13.224 -4.536 263 HG2 ARG 29 HG2 ARG 29 -4.592 15.337 -2.868 264 HG3 ARG 29 HG1 ARG 29 -3.388 15.531 -4.144 265 HD2 ARG 29 HD2 ARG 29 -5.471 15.045 -5.693 266 HD3 ARG 29 HD1 ARG 29 -6.357 15.643 -4.292 267 HH11 ARG 29 HH11 ARG 29 -3.795 15.448 -6.652 268 HH12 ARG 29 HH12 ARG 29 -3.014 16.661 -7.608 269 HH21 ARG 29 HH21 ARG 29 -4.535 19.351 -5.975 270 HH22 ARG 29 HH22 ARG 29 -3.433 18.876 -7.224 271 H ARG 30 HN ARG 30 -2.721 10.926 -3.565 272 HA ARG 30 HA ARG 30 -4.789 9.085 -4.134 273 HE ARG 30 HE ARG 30 -2.963 6.411 -7.738 274 HB2 ARG 30 HB2 ARG 30 -1.980 9.256 -4.530 275 HB3 ARG 30 HB1 ARG 30 -2.313 7.714 -3.753 276 HG2 ARG 30 HG2 ARG 30 -3.450 6.897 -5.540 277 HG3 ARG 30 HG1 ARG 30 -4.032 8.487 -6.038 278 HD2 ARG 30 HD2 ARG 30 -1.989 9.032 -7.062 279 HD3 ARG 30 HD1 ARG 30 -1.136 7.721 -6.249 280 HH11 ARG 30 HH11 ARG 30 -0.624 8.886 -8.506 281 HH12 ARG 30 HH12 ARG 30 -0.413 8.355 -10.140 282 HH21 ARG 30 HH21 ARG 30 -2.687 5.712 -9.887 283 HH22 ARG 30 HH22 ARG 30 -1.585 6.554 -10.925 284 H ARG 31 HN ARG 31 -2.543 9.379 -1.404 285 HA ARG 31 HA ARG 31 -3.258 7.000 -0.104 286 HE ARG 31 HE ARG 31 0.103 7.682 4.047 287 HB2 ARG 31 HB2 ARG 31 -1.403 8.924 0.344 288 HB3 ARG 31 HB1 ARG 31 -2.560 9.301 1.613 289 HG2 ARG 31 HG2 ARG 31 -2.071 7.452 2.795 290 HG3 ARG 31 HG1 ARG 31 -1.848 6.459 1.354 291 HD2 ARG 31 HD2 ARG 31 0.324 6.550 1.934 292 HD3 ARG 31 HD1 ARG 31 0.268 8.120 1.138 293 HH11 ARG 31 HH11 ARG 31 0.800 9.759 1.318 294 HH12 ARG 31 HH12 ARG 31 1.435 11.033 2.302 295 HH21 ARG 31 HH21 ARG 31 0.935 9.361 5.326 296 HH22 ARG 31 HH22 ARG 31 1.512 10.809 4.571 297 H GLN 32 HN GLN 32 -4.446 10.316 0.363 298 HA GLN 32 HA GLN 32 -6.323 9.674 2.369 299 HB2 GLN 32 HB2 GLN 32 -5.471 11.966 1.890 300 HB3 GLN 32 HB1 GLN 32 -6.428 11.977 0.415 301 HG2 GLN 32 HG2 GLN 32 -7.867 11.361 2.917 302 HG3 GLN 32 HG1 GLN 32 -7.275 13.010 2.725 303 HE21 GLN 32 HE21 GLN 32 -7.937 14.180 0.820 304 HE22 GLN 32 HE22 GLN 32 -9.466 13.832 0.094 305 H GLN 33 HN GLN 33 -6.609 9.925 -1.153 306 HA GLN 33 HA GLN 33 -9.410 9.533 -1.245 307 HB2 GLN 33 HB2 GLN 33 -7.191 9.590 -3.184 308 HB3 GLN 33 HB1 GLN 33 -8.567 8.609 -3.664 309 HG2 GLN 33 HG2 GLN 33 -8.730 11.491 -2.817 310 HG3 GLN 33 HG1 GLN 33 -8.682 10.929 -4.487 311 HE21 GLN 33 HE21 GLN 33 -10.612 11.447 -1.718 312 HE22 GLN 33 HE22 GLN 33 -12.112 10.898 -2.376 313 H LEU 34 HN LEU 34 -6.662 7.307 -1.532 314 HA LEU 34 HA LEU 34 -8.189 4.994 -2.061 315 HG LEU 34 HG LEU 34 -6.538 4.524 -3.574 316 HB2 LEU 34 HB2 LEU 34 -5.420 5.626 -1.423 317 HB3 LEU 34 HB1 LEU 34 -5.934 4.122 -0.689 318 HD11 LEU 34 HD11 LEU 34 -4.125 5.248 -3.071 319 HD12 LEU 34 HD12 LEU 34 -4.389 4.039 -4.327 320 HD13 LEU 34 HD13 LEU 34 -3.838 3.543 -2.727 321 HD21 LEU 34 HD21 LEU 34 -5.888 2.236 -1.746 322 HD22 LEU 34 HD22 LEU 34 -5.836 2.062 -3.500 323 HD23 LEU 34 HD23 LEU 34 -7.344 2.511 -2.703 324 H SER 35 HN SER 35 -7.121 6.536 0.912 325 HA SER 35 HA SER 35 -7.819 4.513 2.718 326 HG SER 35 HG SER 35 -8.861 7.856 3.879 327 HB2 SER 35 HB2 SER 35 -7.634 6.180 4.419 328 HB3 SER 35 HB1 SER 35 -6.458 6.613 3.182 329 H SER 36 HN SER 36 -9.636 7.356 1.637 330 HA SER 36 HA SER 36 -12.004 6.702 3.063 331 HG SER 36 HG SER 36 -11.223 9.034 3.340 332 HB2 SER 36 HB2 SER 36 -11.223 8.701 1.007 333 HB3 SER 36 HB1 SER 36 -12.945 8.365 1.189 334 H GLU 37 HN GLU 37 -11.020 6.251 -0.313 335 HA GLU 37 HA GLU 37 -13.459 5.216 -1.243 336 HB2 GLU 37 HB2 GLU 37 -11.303 6.023 -2.510 337 HB3 GLU 37 HB1 GLU 37 -10.864 4.323 -2.428 338 HG2 GLU 37 HG2 GLU 37 -12.313 3.757 -4.022 339 HG3 GLU 37 HG1 GLU 37 -13.593 4.762 -3.343 340 H LEU 38 HN LEU 38 -10.601 3.588 0.092 341 HA LEU 38 HA LEU 38 -11.818 0.983 -0.265 342 HG LEU 38 HG LEU 38 -9.646 0.964 -1.683 343 HB2 LEU 38 HB2 LEU 38 -9.177 2.007 0.579 344 HB3 LEU 38 HB1 LEU 38 -9.667 0.485 1.291 345 HD11 LEU 38 HD11 LEU 38 -7.386 1.258 -0.761 346 HD12 LEU 38 HD12 LEU 38 -7.520 -0.193 -1.753 347 HD13 LEU 38 HD13 LEU 38 -7.506 -0.326 0.005 348 HD21 LEU 38 HD21 LEU 38 -11.072 -0.860 -0.834 349 HD22 LEU 38 HD22 LEU 38 -9.660 -1.572 -0.054 350 HD23 LEU 38 HD23 LEU 38 -9.728 -1.448 -1.810 351 H GLY 39 HN GLY 39 -10.599 2.798 2.558 352 HA2 GLY 39 HA2 GLY 39 -12.276 3.077 4.398 353 HA3 GLY 39 HA1 GLY 39 -12.603 1.363 4.189 354 H LEU 40 HN LEU 40 -9.495 3.061 4.216 355 HA LEU 40 HA LEU 40 -8.829 1.771 6.764 356 HG LEU 40 HG LEU 40 -9.147 -0.100 4.912 357 HB2 LEU 40 HB2 LEU 40 -7.075 1.657 4.310 358 HB3 LEU 40 HB1 LEU 40 -6.660 1.040 5.897 359 HD11 LEU 40 HD11 LEU 40 -8.297 0.089 2.723 360 HD12 LEU 40 HD12 LEU 40 -7.951 -1.564 3.230 361 HD13 LEU 40 HD13 LEU 40 -6.668 -0.353 3.233 362 HD21 LEU 40 HD21 LEU 40 -7.234 -0.771 6.707 363 HD22 LEU 40 HD22 LEU 40 -6.780 -1.787 5.338 364 HD23 LEU 40 HD23 LEU 40 -8.400 -1.904 6.024 365 H ASN 41 HN ASN 41 -6.526 2.573 7.450 366 HA ASN 41 HA ASN 41 -6.668 5.460 7.427 367 HB2 ASN 41 HB2 ASN 41 -4.651 5.228 8.982 368 HB3 ASN 41 HB1 ASN 41 -6.176 4.563 9.554 369 HD21 ASN 41 HD21 ASN 41 -3.035 3.998 9.574 370 HD22 ASN 41 HD22 ASN 41 -3.006 2.271 9.561 371 H GLU 42 HN GLU 42 -5.180 6.873 6.578 372 HA GLU 42 HA GLU 42 -3.929 6.266 4.196 373 HB2 GLU 42 HB2 GLU 42 -3.044 8.416 6.126 374 HB3 GLU 42 HB1 GLU 42 -2.780 8.390 4.388 375 HG2 GLU 42 HG2 GLU 42 -4.705 9.414 4.046 376 HG3 GLU 42 HG1 GLU 42 -5.571 8.134 4.894 377 H ALA 43 HN ALA 43 -2.639 6.114 7.465 378 HA ALA 43 HA ALA 43 0.067 5.716 6.806 379 HB1 ALA 43 HB1 ALA 43 -0.090 6.181 9.016 380 HB2 ALA 43 HB2 ALA 43 -0.107 4.421 9.142 381 HB3 ALA 43 HB3 ALA 43 -1.621 5.323 9.198 382 H GLN 44 HN GLN 44 -2.642 3.491 7.144 383 HA GLN 44 HA GLN 44 -1.110 1.106 6.988 384 HB2 GLN 44 HB2 GLN 44 -3.925 1.838 7.072 385 HB3 GLN 44 HB1 GLN 44 -3.634 0.496 5.975 386 HG2 GLN 44 HG2 GLN 44 -2.362 0.364 8.643 387 HG3 GLN 44 HG1 GLN 44 -4.111 0.160 8.563 388 HE21 GLN 44 HE21 GLN 44 -4.970 -1.623 7.510 389 HE22 GLN 44 HE22 GLN 44 -4.013 -3.003 7.099 390 H ILE 45 HN ILE 45 -2.818 3.071 4.589 391 HA ILE 45 HA ILE 45 -2.311 1.353 2.390 392 HB ILE 45 HB ILE 45 -2.732 4.342 2.287 393 HG12 ILE 45 HG12 ILE 45 -4.964 2.411 1.866 394 HG13 ILE 45 HG11 ILE 45 -4.456 2.727 3.522 395 HG21 ILE 45 HG21 ILE 45 -3.936 2.989 0.120 396 HG22 ILE 45 HG22 ILE 45 -2.297 2.359 0.281 397 HG23 ILE 45 HG23 ILE 45 -2.559 4.092 0.090 398 HD11 ILE 45 HD11 ILE 45 -4.652 5.244 2.580 399 HD12 ILE 45 HD12 ILE 45 -5.961 4.378 3.385 400 HD13 ILE 45 HD13 ILE 45 -5.894 4.436 1.624 401 H LYS 46 HN LYS 46 -0.610 4.128 3.755 402 HA LYS 46 HA LYS 46 1.345 4.449 1.786 403 HB2 LYS 46 HB2 LYS 46 0.760 5.839 3.952 404 HB3 LYS 46 HB1 LYS 46 2.035 4.860 4.664 405 HG2 LYS 46 HG2 LYS 46 3.490 5.616 2.725 406 HG3 LYS 46 HG1 LYS 46 2.236 6.812 2.395 407 HD2 LYS 46 HD2 LYS 46 2.643 7.974 4.343 408 HD3 LYS 46 HD1 LYS 46 3.331 6.570 5.161 409 HE2 LYS 46 HE2 LYS 46 5.090 8.141 4.679 410 HE3 LYS 46 HE1 LYS 46 5.296 6.715 3.664 411 HZ1 LYS 46 HZ1 LYS 46 3.706 8.517 2.256 412 HZ2 LYS 46 HZ2 LYS 46 5.292 8.042 1.910 413 HZ3 LYS 46 HZ3 LYS 46 5.009 9.399 2.878 414 H ILE 47 HN ILE 47 1.356 2.443 4.722 415 HA ILE 47 HA ILE 47 3.979 1.438 4.344 416 HB ILE 47 HB ILE 47 1.690 0.214 5.892 417 HG12 ILE 47 HG12 ILE 47 4.003 1.820 6.973 418 HG13 ILE 47 HG11 ILE 47 2.477 2.565 6.514 419 HG21 ILE 47 HG21 ILE 47 3.287 -1.493 5.545 420 HG22 ILE 47 HG22 ILE 47 3.589 -0.872 7.168 421 HG23 ILE 47 HG23 ILE 47 4.635 -0.392 5.832 422 HD11 ILE 47 HD11 ILE 47 3.031 0.637 8.732 423 HD12 ILE 47 HD12 ILE 47 1.398 0.889 8.116 424 HD13 ILE 47 HD13 ILE 47 2.298 2.239 8.808 425 H TRP 48 HN TRP 48 0.787 0.273 3.358 426 HA TRP 48 HA TRP 48 1.573 -2.259 2.449 427 HD1 TRP 48 HD1 TRP 48 -1.065 -4.204 2.153 428 HE1 TRP 48 HE1 TRP 48 -1.529 -5.457 -0.047 429 HE3 TRP 48 HE3 TRP 48 -0.176 -0.402 -1.153 430 HZ2 TRP 48 HZ2 TRP 48 -1.517 -4.909 -2.815 431 HZ3 TRP 48 HZ3 TRP 48 -0.423 -0.853 -3.558 432 HH2 TRP 48 HH2 TRP 48 -1.079 -3.058 -4.371 433 HB2 TRP 48 HB2 TRP 48 -0.783 -1.653 2.754 434 HB3 TRP 48 HB1 TRP 48 -0.668 -0.505 1.423 435 H PHE 49 HN PHE 49 1.216 0.793 0.645 436 HA PHE 49 HA PHE 49 2.074 -0.248 -1.828 437 HD1 PHE 49 HD1 PHE 49 -0.763 1.791 -1.223 438 HD2 PHE 49 HD2 PHE 49 2.246 1.864 -4.232 439 HE1 PHE 49 HE1 PHE 49 -2.504 1.728 -2.960 440 HE2 PHE 49 HE2 PHE 49 0.510 1.802 -5.975 441 HZ PHE 49 HZ PHE 49 -1.869 1.735 -5.340 442 HB2 PHE 49 HB2 PHE 49 1.520 2.402 -0.698 443 HB3 PHE 49 HB1 PHE 49 2.767 2.414 -1.941 444 H GLN 50 HN GLN 50 3.815 1.379 0.792 445 HA GLN 50 HA GLN 50 6.323 1.493 -0.483 446 HB2 GLN 50 HB2 GLN 50 5.345 2.472 1.839 447 HB3 GLN 50 HB1 GLN 50 6.291 1.123 2.453 448 HG2 GLN 50 HG2 GLN 50 8.083 2.202 0.778 449 HG3 GLN 50 HG1 GLN 50 7.165 3.645 1.205 450 HE21 GLN 50 HE21 GLN 50 6.539 3.320 3.769 451 HE22 GLN 50 HE22 GLN 50 7.954 3.188 4.751 452 H ASN 51 HN ASN 51 4.820 -0.955 1.583 453 HA ASN 51 HA ASN 51 7.079 -2.641 1.785 454 HB2 ASN 51 HB2 ASN 51 4.241 -2.770 2.482 455 HB3 ASN 51 HB1 ASN 51 4.901 -4.330 2.005 456 HD21 ASN 51 HD21 ASN 51 5.296 -1.624 4.206 457 HD22 ASN 51 HD22 ASN 51 6.129 -2.507 5.436 458 H LYS 52 HN LYS 52 4.420 -2.460 -0.525 459 HA LYS 52 HA LYS 52 5.028 -4.844 -1.917 460 HB2 LYS 52 HB2 LYS 52 3.088 -2.797 -2.076 461 HB3 LYS 52 HB1 LYS 52 3.853 -2.879 -3.657 462 HG2 LYS 52 HG2 LYS 52 3.315 -5.530 -2.745 463 HG3 LYS 52 HG1 LYS 52 1.853 -4.553 -2.596 464 HD2 LYS 52 HD2 LYS 52 2.392 -3.774 -4.994 465 HD3 LYS 52 HD1 LYS 52 3.467 -5.174 -5.048 466 HE2 LYS 52 HE2 LYS 52 1.672 -6.331 -5.701 467 HE3 LYS 52 HE1 LYS 52 1.143 -6.224 -4.023 468 HZ1 LYS 52 HZ1 LYS 52 -0.153 -5.229 -6.245 469 HZ2 LYS 52 HZ2 LYS 52 0.448 -3.868 -5.441 470 HZ3 LYS 52 HZ3 LYS 52 -0.555 -4.957 -4.625 471 H ARG 53 HN ARG 53 6.065 -1.496 -2.307 472 HA ARG 53 HA ARG 53 7.447 -1.871 -4.751 473 HE ARG 53 HE ARG 53 5.329 2.908 -3.796 474 HB2 ARG 53 HB2 ARG 53 7.474 0.224 -2.611 475 HB3 ARG 53 HB1 ARG 53 8.712 0.248 -3.860 476 HG2 ARG 53 HG2 ARG 53 6.818 0.202 -5.542 477 HG3 ARG 53 HG1 ARG 53 5.742 0.536 -4.184 478 HD2 ARG 53 HD2 ARG 53 8.127 2.264 -4.477 479 HD3 ARG 53 HD1 ARG 53 6.846 2.460 -5.669 480 HH11 ARG 53 HH11 ARG 53 8.765 3.212 -3.201 481 HH12 ARG 53 HH12 ARG 53 8.558 4.303 -1.875 482 HH21 ARG 53 HH21 ARG 53 5.072 4.342 -2.054 483 HH22 ARG 53 HH22 ARG 53 6.468 4.944 -1.224 484 H ALA 54 HN ALA 54 8.488 -1.910 -1.363 485 HA ALA 54 HA ALA 54 11.232 -2.346 -1.894 486 HB1 ALA 54 HB1 ALA 54 10.866 -1.560 0.237 487 HB2 ALA 54 HB2 ALA 54 11.125 -3.277 0.543 488 HB3 ALA 54 HB3 ALA 54 9.487 -2.624 0.510 489 H LYS 55 HN LYS 55 8.533 -4.399 -2.163 490 HA LYS 55 HA LYS 55 9.831 -6.872 -1.558 491 HB2 LYS 55 HB2 LYS 55 7.210 -6.041 -2.052 492 HB3 LYS 55 HB1 LYS 55 7.590 -7.116 -3.389 493 HG2 LYS 55 HG2 LYS 55 7.330 -8.895 -2.101 494 HG3 LYS 55 HG1 LYS 55 8.498 -8.275 -0.932 495 HD2 LYS 55 HD2 LYS 55 6.449 -8.582 0.234 496 HD3 LYS 55 HD1 LYS 55 6.647 -6.844 -0.004 497 HE2 LYS 55 HE2 LYS 55 5.163 -6.985 -1.976 498 HE3 LYS 55 HE1 LYS 55 4.916 -8.697 -1.637 499 HZ1 LYS 55 HZ1 LYS 55 3.534 -8.250 0.062 500 HZ2 LYS 55 HZ2 LYS 55 3.327 -6.768 -0.725 501 HZ3 LYS 55 HZ3 LYS 55 4.401 -6.890 0.576 502 H ILE 56 HN ILE 56 9.147 -5.063 -4.518 503 HA ILE 56 HA ILE 56 10.349 -7.073 -6.206 504 HB ILE 56 HB ILE 56 9.594 -4.249 -6.957 505 HG12 ILE 56 HG12 ILE 56 7.762 -6.387 -7.754 506 HG13 ILE 56 HG11 ILE 56 7.858 -6.183 -6.008 507 HG21 ILE 56 HG21 ILE 56 9.377 -5.255 -9.222 508 HG22 ILE 56 HG22 ILE 56 10.054 -6.748 -8.574 509 HG23 ILE 56 HG23 ILE 56 11.021 -5.274 -8.585 510 HD11 ILE 56 HD11 ILE 56 7.457 -3.710 -6.441 511 HD12 ILE 56 HD12 ILE 56 6.101 -4.808 -6.690 512 HD13 ILE 56 HD13 ILE 56 7.003 -4.193 -8.075 513 H LYS 57 HN LYS 57 11.108 -3.656 -5.508 514 HA LYS 57 HA LYS 57 13.850 -4.101 -6.404 515 HB2 LYS 57 HB2 LYS 57 12.257 -1.631 -5.749 516 HB3 LYS 57 HB1 LYS 57 14.000 -1.574 -5.979 517 HG2 LYS 57 HG2 LYS 57 13.858 -2.029 -8.226 518 HG3 LYS 57 HG1 LYS 57 12.293 -2.832 -8.073 519 HD2 LYS 57 HD2 LYS 57 11.662 -0.328 -7.256 520 HD3 LYS 57 HD1 LYS 57 12.936 0.019 -8.427 521 HE2 LYS 57 HE2 LYS 57 11.589 -1.683 -9.908 522 HE3 LYS 57 HE1 LYS 57 10.262 -1.234 -8.837 523 HZ1 LYS 57 HZ1 LYS 57 11.897 0.677 -10.416 524 HZ2 LYS 57 HZ2 LYS 57 10.574 1.068 -9.438 525 HZ3 LYS 57 HZ3 LYS 57 10.347 0.144 -10.837 526 H LYS 58 HN LYS 58 15.355 -4.667 -4.991 527 HA LYS 58 HA LYS 58 14.901 -4.419 -2.154 528 HB2 LYS 58 HB2 LYS 58 16.743 -5.873 -3.910 529 HB3 LYS 58 HB1 LYS 58 17.499 -5.286 -2.436 530 HG2 LYS 58 HG2 LYS 58 16.664 -7.550 -2.159 531 HG3 LYS 58 HG1 LYS 58 15.812 -6.425 -1.101 532 HD2 LYS 58 HD2 LYS 58 13.856 -6.983 -2.004 533 HD3 LYS 58 HD1 LYS 58 14.451 -6.609 -3.622 534 HE2 LYS 58 HE2 LYS 58 15.519 -9.112 -2.608 535 HE3 LYS 58 HE1 LYS 58 13.756 -9.110 -2.651 536 HZ1 LYS 58 HZ1 LYS 58 14.458 -8.016 -5.039 537 HZ2 LYS 58 HZ2 LYS 58 13.992 -9.623 -4.790 538 HZ3 LYS 58 HZ3 LYS 58 15.633 -9.214 -4.815 539 H SER 59 HN SER 59 14.992 -2.302 -1.544 540 HA SER 59 HA SER 59 17.592 -1.125 -1.305 541 HG SER 59 HG SER 59 17.595 0.335 -4.402 542 HB2 SER 59 HB2 SER 59 15.674 -0.127 -3.353 543 HB3 SER 59 HB1 SER 59 16.558 1.077 -2.415 Start of MODEL 9 1 HA MET -1 HA MET -1 -16.485 -2.203 11.801 2 H1 MET -1 HT1 MET -1 -17.610 -1.258 14.254 3 H2 MET -1 HT2 MET -1 -18.338 -2.062 12.925 4 H3 MET -1 HT3 MET -1 -18.085 -0.366 12.869 5 HB2 MET -1 HB2 MET -1 -14.893 -0.342 11.604 6 HB3 MET -1 HB1 MET -1 -16.543 0.197 11.325 7 HG2 MET -1 HG2 MET -1 -16.050 1.837 12.745 8 HG3 MET -1 HG1 MET -1 -16.265 0.620 14.002 9 HE1 MET -1 HE1 MET -1 -14.737 1.271 15.883 10 HE2 MET -1 HE2 MET -1 -13.069 0.703 15.802 11 HE3 MET -1 HE3 MET -1 -14.394 -0.397 15.422 12 H ASP 0 HN ASP 0 -13.890 -1.893 12.341 13 HA ASP 0 HA ASP 0 -13.399 -2.500 15.147 14 HB2 ASP 0 HB2 ASP 0 -13.970 -4.657 13.906 15 HB3 ASP 0 HB1 ASP 0 -12.460 -4.429 13.027 16 H GLU 1 HN GLU 1 -11.907 -0.987 15.550 17 HA GLU 1 HA GLU 1 -10.033 -0.047 13.634 18 HB2 GLU 1 HB2 GLU 1 -10.977 0.967 15.937 19 HB3 GLU 1 HB1 GLU 1 -9.454 0.309 16.524 20 HG2 GLU 1 HG2 GLU 1 -8.974 1.727 14.099 21 HG3 GLU 1 HG1 GLU 1 -9.914 2.747 15.186 22 H LYS 2 HN LYS 2 -8.996 -1.935 12.876 23 HA LYS 2 HA LYS 2 -7.612 -3.738 14.561 24 HB2 LYS 2 HB2 LYS 2 -7.488 -3.137 11.618 25 HB3 LYS 2 HB1 LYS 2 -6.394 -4.296 12.358 26 HG2 LYS 2 HG2 LYS 2 -8.129 -5.757 12.918 27 HG3 LYS 2 HG1 LYS 2 -9.363 -4.516 12.695 28 HD2 LYS 2 HD2 LYS 2 -8.843 -4.490 10.275 29 HD3 LYS 2 HD1 LYS 2 -7.696 -5.807 10.535 30 HE2 LYS 2 HE2 LYS 2 -9.396 -7.199 10.167 31 HE3 LYS 2 HE1 LYS 2 -10.020 -6.705 11.740 32 HZ1 LYS 2 HZ1 LYS 2 -11.135 -6.271 9.196 33 HZ2 LYS 2 HZ2 LYS 2 -10.786 -4.768 9.889 34 HZ3 LYS 2 HZ3 LYS 2 -11.773 -5.868 10.710 35 H ARG 3 HN ARG 3 -5.127 -4.095 13.868 36 HA ARG 3 HA ARG 3 -3.704 -2.026 15.167 37 HE ARG 3 HE ARG 3 -4.966 -5.562 17.513 38 HB2 ARG 3 HB2 ARG 3 -2.944 -4.543 13.737 39 HB3 ARG 3 HB1 ARG 3 -1.691 -3.393 14.181 40 HG2 ARG 3 HG2 ARG 3 -1.637 -4.629 16.061 41 HG3 ARG 3 HG1 ARG 3 -2.974 -3.573 16.526 42 HD2 ARG 3 HD2 ARG 3 -4.417 -5.396 15.310 43 HD3 ARG 3 HD1 ARG 3 -3.017 -6.418 15.630 44 HH11 ARG 3 HH11 ARG 3 -1.568 -6.287 17.179 45 HH12 ARG 3 HH12 ARG 3 -1.367 -6.712 18.845 46 HH21 ARG 3 HH21 ARG 3 -4.703 -6.120 19.705 47 HH22 ARG 3 HH22 ARG 3 -3.146 -6.617 20.280 48 HA PRO 4 HA PRO 4 -2.472 0.722 11.957 49 HB2 PRO 4 HB2 PRO 4 0.185 1.106 12.449 50 HB3 PRO 4 HB1 PRO 4 -1.102 1.830 13.419 51 HG2 PRO 4 HG2 PRO 4 0.532 -0.619 13.962 52 HG3 PRO 4 HG1 PRO 4 0.053 0.676 15.075 53 HD2 PRO 4 HD2 PRO 4 -1.222 -1.695 15.016 54 HD3 PRO 4 HD1 PRO 4 -2.079 -0.177 15.352 55 H ARG 5 HN ARG 5 -0.915 -2.343 12.235 56 HA ARG 5 HA ARG 5 -0.364 -2.313 9.369 57 HE ARG 5 HE ARG 5 1.942 -5.161 8.308 58 HB2 ARG 5 HB2 ARG 5 1.707 -1.829 11.030 59 HB3 ARG 5 HB1 ARG 5 1.742 -3.587 11.018 60 HG2 ARG 5 HG2 ARG 5 1.460 -2.881 8.347 61 HG3 ARG 5 HG1 ARG 5 2.601 -1.706 9.002 62 HD2 ARG 5 HD2 ARG 5 4.148 -3.280 8.656 63 HD3 ARG 5 HD1 ARG 5 3.488 -4.056 10.094 64 HH11 ARG 5 HH11 ARG 5 5.360 -4.490 8.004 65 HH12 ARG 5 HH12 ARG 5 5.640 -5.796 6.905 66 HH21 ARG 5 HH21 ARG 5 2.319 -6.878 6.867 67 HH22 ARG 5 HH22 ARG 5 3.919 -7.150 6.261 68 H THR 6 HN THR 6 -2.043 -3.753 9.063 69 HA THR 6 HA THR 6 -1.457 -6.504 9.846 70 HB THR 6 HB THR 6 -3.000 -5.645 11.563 71 HG1 THR 6 HG1 THR 6 -4.566 -7.340 9.972 72 HG21 THR 6 HG21 THR 6 -4.866 -5.147 9.259 73 HG22 THR 6 HG22 THR 6 -4.206 -3.949 10.372 74 HG23 THR 6 HG23 THR 6 -5.341 -5.166 10.956 75 H ALA 7 HN ALA 7 -3.196 -7.990 8.755 76 HA ALA 7 HA ALA 7 -3.008 -7.510 5.949 77 HB1 ALA 7 HB1 ALA 7 -4.038 -9.696 7.675 78 HB2 ALA 7 HB2 ALA 7 -2.871 -9.749 6.354 79 HB3 ALA 7 HB3 ALA 7 -4.595 -9.629 6.004 80 H PHE 8 HN PHE 8 -4.420 -6.571 4.623 81 HA PHE 8 HA PHE 8 -6.857 -5.462 5.684 82 HD1 PHE 8 HD1 PHE 8 -5.576 -3.814 6.150 83 HD2 PHE 8 HD2 PHE 8 -4.251 -3.895 2.106 84 HE1 PHE 8 HE1 PHE 8 -3.750 -2.269 6.721 85 HE2 PHE 8 HE2 PHE 8 -2.423 -2.350 2.671 86 HZ PHE 8 HZ PHE 8 -2.170 -1.535 4.981 87 HB2 PHE 8 HB2 PHE 8 -5.890 -5.402 2.821 88 HB3 PHE 8 HB1 PHE 8 -7.045 -4.314 3.578 89 H SER 9 HN SER 9 -8.456 -5.605 3.289 90 HA SER 9 HA SER 9 -9.379 -8.381 3.545 91 HG SER 9 HG SER 9 -11.692 -6.281 1.453 92 HB2 SER 9 HB2 SER 9 -11.551 -7.625 3.058 93 HB3 SER 9 HB1 SER 9 -10.883 -6.333 4.054 94 H SER 10 HN SER 10 -10.071 -9.532 1.647 95 HA SER 10 HA SER 10 -8.295 -9.466 -0.478 96 HG SER 10 HG SER 10 -9.105 -12.115 0.234 97 HB2 SER 10 HB2 SER 10 -11.125 -10.467 -0.761 98 HB3 SER 10 HB1 SER 10 -9.668 -11.069 -1.550 99 H GLU 11 HN GLU 11 -11.394 -7.837 -0.099 100 HA GLU 11 HA GLU 11 -11.664 -6.927 -2.754 101 HB2 GLU 11 HB2 GLU 11 -12.857 -6.248 -0.129 102 HB3 GLU 11 HB1 GLU 11 -12.940 -4.996 -1.361 103 HG2 GLU 11 HG2 GLU 11 -14.939 -6.431 -1.292 104 HG3 GLU 11 HG1 GLU 11 -14.117 -6.460 -2.852 105 H GLN 12 HN GLN 12 -10.296 -5.380 0.147 106 HA GLN 12 HA GLN 12 -9.484 -3.014 -1.194 107 HB2 GLN 12 HB2 GLN 12 -8.402 -4.249 1.350 108 HB3 GLN 12 HB1 GLN 12 -8.125 -2.596 0.816 109 HG2 GLN 12 HG2 GLN 12 -10.312 -1.956 1.239 110 HG3 GLN 12 HG1 GLN 12 -10.905 -3.615 1.217 111 HE21 GLN 12 HE21 GLN 12 -11.446 -1.722 3.232 112 HE22 GLN 12 HE22 GLN 12 -10.747 -2.294 4.704 113 H LEU 13 HN LEU 13 -8.085 -6.157 -0.713 114 HA LEU 13 HA LEU 13 -5.414 -5.608 -1.396 115 HG LEU 13 HG LEU 13 -5.524 -8.952 0.137 116 HB2 LEU 13 HB2 LEU 13 -7.158 -8.002 -1.257 117 HB3 LEU 13 HB1 LEU 13 -5.724 -8.147 -2.252 118 HD11 LEU 13 HD11 LEU 13 -3.326 -7.413 0.372 119 HD12 LEU 13 HD12 LEU 13 -3.703 -7.180 -1.335 120 HD13 LEU 13 HD13 LEU 13 -3.451 -8.806 -0.702 121 HD21 LEU 13 HD21 LEU 13 -4.821 -6.805 1.576 122 HD22 LEU 13 HD22 LEU 13 -6.441 -7.499 1.604 123 HD23 LEU 13 HD23 LEU 13 -6.103 -6.091 0.600 124 H ALA 14 HN ALA 14 -8.160 -6.730 -3.351 125 HA ALA 14 HA ALA 14 -6.814 -6.850 -5.809 126 HB1 ALA 14 HB1 ALA 14 -9.366 -6.296 -6.550 127 HB2 ALA 14 HB2 ALA 14 -9.607 -6.887 -4.906 128 HB3 ALA 14 HB3 ALA 14 -8.782 -7.896 -6.094 129 H ARG 15 HN ARG 15 -8.701 -4.246 -4.301 130 HA ARG 15 HA ARG 15 -8.505 -2.419 -6.436 131 HE ARG 15 HE ARG 15 -13.467 -1.425 -4.115 132 HB2 ARG 15 HB2 ARG 15 -8.761 -1.858 -3.475 133 HB3 ARG 15 HB1 ARG 15 -9.063 -0.698 -4.761 134 HG2 ARG 15 HG2 ARG 15 -10.660 -2.875 -5.406 135 HG3 ARG 15 HG1 ARG 15 -10.798 -2.723 -3.654 136 HD2 ARG 15 HD2 ARG 15 -11.433 -0.394 -3.878 137 HD3 ARG 15 HD1 ARG 15 -11.208 -0.476 -5.625 138 HH11 ARG 15 HH11 ARG 15 -11.681 -1.720 -7.100 139 HH12 ARG 15 HH12 ARG 15 -13.028 -2.348 -7.989 140 HH21 ARG 15 HH21 ARG 15 -15.238 -2.253 -5.283 141 HH22 ARG 15 HH22 ARG 15 -15.047 -2.650 -6.958 142 H LEU 16 HN LEU 16 -6.519 -2.839 -3.525 143 HA LEU 16 HA LEU 16 -4.710 -0.750 -4.052 144 HG LEU 16 HG LEU 16 -5.747 -0.975 -1.731 145 HB2 LEU 16 HB2 LEU 16 -4.528 -3.265 -2.416 146 HB3 LEU 16 HB1 LEU 16 -3.164 -2.174 -2.561 147 HD11 LEU 16 HD11 LEU 16 -6.038 -2.137 0.134 148 HD12 LEU 16 HD12 LEU 16 -4.349 -1.919 0.591 149 HD13 LEU 16 HD13 LEU 16 -4.818 -3.278 -0.430 150 HD21 LEU 16 HD21 LEU 16 -4.001 0.093 -0.112 151 HD22 LEU 16 HD22 LEU 16 -4.059 0.588 -1.803 152 HD23 LEU 16 HD23 LEU 16 -2.830 -0.556 -1.261 153 H LYS 17 HN LYS 17 -4.667 -4.186 -4.903 154 HA LYS 17 HA LYS 17 -2.104 -4.256 -6.050 155 HB2 LYS 17 HB2 LYS 17 -4.166 -6.074 -5.645 156 HB3 LYS 17 HB1 LYS 17 -4.021 -5.993 -7.394 157 HG2 LYS 17 HG2 LYS 17 -1.647 -6.530 -7.226 158 HG3 LYS 17 HG1 LYS 17 -1.786 -6.602 -5.468 159 HD2 LYS 17 HD2 LYS 17 -3.807 -8.267 -6.550 160 HD3 LYS 17 HD1 LYS 17 -2.303 -8.646 -7.392 161 HE2 LYS 17 HE2 LYS 17 -1.179 -9.005 -5.270 162 HE3 LYS 17 HE1 LYS 17 -2.640 -8.550 -4.396 163 HZ1 LYS 17 HZ1 LYS 17 -3.538 -10.512 -5.990 164 HZ2 LYS 17 HZ2 LYS 17 -3.022 -10.741 -4.396 165 HZ3 LYS 17 HZ3 LYS 17 -1.963 -11.047 -5.678 166 H ARG 18 HN ARG 18 -5.267 -3.483 -7.417 167 HA ARG 18 HA ARG 18 -4.482 -3.300 -10.107 168 HE ARG 18 HE ARG 18 -6.297 -5.628 -11.184 169 HB2 ARG 18 HB2 ARG 18 -6.850 -3.055 -8.739 170 HB3 ARG 18 HB1 ARG 18 -6.566 -1.406 -9.278 171 HG2 ARG 18 HG2 ARG 18 -7.492 -2.001 -11.205 172 HG3 ARG 18 HG1 ARG 18 -6.029 -2.933 -11.519 173 HD2 ARG 18 HD2 ARG 18 -7.782 -4.416 -9.799 174 HD3 ARG 18 HD1 ARG 18 -8.659 -3.887 -11.231 175 HH11 ARG 18 HH11 ARG 18 -8.922 -4.157 -12.972 176 HH12 ARG 18 HH12 ARG 18 -8.720 -5.189 -14.345 177 HH21 ARG 18 HH21 ARG 18 -6.041 -6.975 -12.995 178 HH22 ARG 18 HH22 ARG 18 -7.089 -6.785 -14.360 179 H GLU 19 HN GLU 19 -4.683 -0.843 -7.555 180 HA GLU 19 HA GLU 19 -3.811 1.307 -9.190 181 HB2 GLU 19 HB2 GLU 19 -4.250 0.858 -6.290 182 HB3 GLU 19 HB1 GLU 19 -3.165 2.171 -6.726 183 HG2 GLU 19 HG2 GLU 19 -5.962 1.866 -7.788 184 HG3 GLU 19 HG1 GLU 19 -5.527 2.855 -6.396 185 H PHE 20 HN PHE 20 -2.153 -1.031 -7.156 186 HA PHE 20 HA PHE 20 0.378 0.217 -7.148 187 HD1 PHE 20 HD1 PHE 20 1.899 -0.733 -4.754 188 HD2 PHE 20 HD2 PHE 20 1.707 -3.572 -7.918 189 HE1 PHE 20 HE1 PHE 20 4.294 -1.212 -4.464 190 HE2 PHE 20 HE2 PHE 20 4.103 -4.058 -7.633 191 HZ PHE 20 HZ PHE 20 5.400 -2.877 -5.904 192 HB2 PHE 20 HB2 PHE 20 -0.227 -1.564 -5.567 193 HB3 PHE 20 HB1 PHE 20 -0.302 -2.721 -6.892 194 H ASN 21 HN ASN 21 -1.141 -2.086 -9.350 195 HA ASN 21 HA ASN 21 1.128 -2.689 -10.895 196 HB2 ASN 21 HB2 ASN 21 -1.828 -2.785 -11.438 197 HB3 ASN 21 HB1 ASN 21 -0.666 -3.168 -12.705 198 HD21 ASN 21 HD21 ASN 21 -2.678 -4.670 -10.887 199 HD22 ASN 21 HD22 ASN 21 -1.788 -6.071 -10.412 200 H GLU 22 HN GLU 22 -1.057 0.026 -10.913 201 HA GLU 22 HA GLU 22 -0.105 1.038 -13.447 202 HB2 GLU 22 HB2 GLU 22 -2.195 1.747 -11.499 203 HB3 GLU 22 HB1 GLU 22 -1.442 3.124 -12.292 204 HG2 GLU 22 HG2 GLU 22 -1.932 1.369 -14.364 205 HG3 GLU 22 HG1 GLU 22 -3.340 1.190 -13.318 206 H ASN 23 HN ASN 23 0.330 1.734 -10.018 207 HA ASN 23 HA ASN 23 2.870 2.986 -10.560 208 HB2 ASN 23 HB2 ASN 23 0.624 4.644 -10.435 209 HB3 ASN 23 HB1 ASN 23 1.373 4.793 -8.848 210 HD21 ASN 23 HD21 ASN 23 1.288 6.973 -10.382 211 HD22 ASN 23 HD22 ASN 23 2.852 7.355 -11.009 212 H ARG 24 HN ARG 24 4.197 2.196 -9.077 213 HA ARG 24 HA ARG 24 3.238 0.911 -6.715 214 HE ARG 24 HE ARG 24 6.656 -2.412 -9.694 215 HB2 ARG 24 HB2 ARG 24 6.092 1.624 -7.391 216 HB3 ARG 24 HB1 ARG 24 5.544 0.390 -6.265 217 HG2 ARG 24 HG2 ARG 24 4.732 -0.980 -8.018 218 HG3 ARG 24 HG1 ARG 24 4.925 0.312 -9.204 219 HD2 ARG 24 HD2 ARG 24 7.389 0.240 -8.739 220 HD3 ARG 24 HD1 ARG 24 7.098 -1.197 -7.762 221 HH11 ARG 24 HH11 ARG 24 7.209 0.955 -10.456 222 HH12 ARG 24 HH12 ARG 24 7.412 0.664 -12.148 223 HH21 ARG 24 HH21 ARG 24 6.920 -2.787 -11.921 224 HH22 ARG 24 HH22 ARG 24 7.247 -1.457 -12.981 225 H TYR 25 HN TYR 25 3.700 4.135 -7.378 226 HA TYR 25 HA TYR 25 4.490 4.787 -4.629 227 HD1 TYR 25 HD2 TYR 25 5.757 4.793 -8.266 228 HD2 TYR 25 HD1 TYR 25 7.061 6.804 -4.752 229 HE1 TYR 25 HE2 TYR 25 8.077 4.151 -8.768 230 HE2 TYR 25 HE1 TYR 25 9.385 6.170 -5.243 231 HH TYR 25 HH TYR 25 10.361 3.912 -6.916 232 HB2 TYR 25 HB2 TYR 25 4.351 6.532 -7.096 233 HB3 TYR 25 HB1 TYR 25 4.842 7.083 -5.498 234 H LEU 26 HN LEU 26 3.399 7.140 -4.126 235 HA LEU 26 HA LEU 26 0.546 7.029 -4.728 236 HG LEU 26 HG LEU 26 0.664 4.664 -2.813 237 HB2 LEU 26 HB2 LEU 26 1.776 6.610 -2.052 238 HB3 LEU 26 HB1 LEU 26 0.317 7.573 -2.127 239 HD11 LEU 26 HD11 LEU 26 -1.070 4.365 -1.168 240 HD12 LEU 26 HD12 LEU 26 -1.271 6.111 -1.012 241 HD13 LEU 26 HD13 LEU 26 0.224 5.343 -0.474 242 HD21 LEU 26 HD21 LEU 26 -1.794 6.323 -3.361 243 HD22 LEU 26 HD22 LEU 26 -1.580 4.599 -3.661 244 HD23 LEU 26 HD23 LEU 26 -0.668 5.775 -4.603 245 H THR 27 HN THR 27 -0.530 8.923 -3.410 246 HA THR 27 HA THR 27 1.166 11.281 -3.256 247 HB THR 27 HB THR 27 -0.113 12.593 -4.788 248 HG1 THR 27 HG1 THR 27 -1.946 11.762 -5.820 249 HG21 THR 27 HG21 THR 27 -0.040 11.302 -6.936 250 HG22 THR 27 HG22 THR 27 0.496 9.912 -5.992 251 HG23 THR 27 HG23 THR 27 1.475 11.378 -6.038 252 H GLU 28 HN GLU 28 -0.168 13.181 -2.406 253 HA GLU 28 HA GLU 28 -1.438 12.454 -0.035 254 HB2 GLU 28 HB2 GLU 28 -0.473 14.751 -0.822 255 HB3 GLU 28 HB1 GLU 28 -2.102 15.034 -1.421 256 HG2 GLU 28 HG2 GLU 28 -2.719 15.686 0.594 257 HG3 GLU 28 HG1 GLU 28 -2.346 14.083 1.223 258 H ARG 29 HN ARG 29 -2.871 13.563 -3.090 259 HA ARG 29 HA ARG 29 -5.556 13.325 -2.326 260 HE ARG 29 HE ARG 29 -6.848 16.911 -5.352 261 HB2 ARG 29 HB2 ARG 29 -4.085 13.506 -4.900 262 HB3 ARG 29 HB1 ARG 29 -5.742 12.922 -4.966 263 HG2 ARG 29 HG2 ARG 29 -5.282 15.366 -3.379 264 HG3 ARG 29 HG1 ARG 29 -5.081 15.507 -5.127 265 HD2 ARG 29 HD2 ARG 29 -7.387 14.099 -4.996 266 HD3 ARG 29 HD1 ARG 29 -7.511 15.062 -3.525 267 HH11 ARG 29 HH11 ARG 29 -9.292 14.416 -5.348 268 HH12 ARG 29 HH12 ARG 29 -10.380 15.309 -6.355 269 HH21 ARG 29 HH21 ARG 29 -8.280 18.083 -6.677 270 HH22 ARG 29 HH22 ARG 29 -9.806 17.390 -7.110 271 H ARG 30 HN ARG 30 -3.339 10.977 -3.788 272 HA ARG 30 HA ARG 30 -5.297 8.981 -4.239 273 HE ARG 30 HE ARG 30 -4.410 6.790 -8.246 274 HB2 ARG 30 HB2 ARG 30 -2.675 9.326 -4.945 275 HB3 ARG 30 HB1 ARG 30 -2.558 8.040 -3.755 276 HG2 ARG 30 HG2 ARG 30 -2.771 6.985 -5.847 277 HG3 ARG 30 HG1 ARG 30 -4.346 6.833 -5.064 278 HD2 ARG 30 HD2 ARG 30 -5.026 8.915 -6.334 279 HD3 ARG 30 HD1 ARG 30 -3.538 8.728 -7.257 280 HH11 ARG 30 HH11 ARG 30 -6.673 8.210 -5.990 281 HH12 ARG 30 HH12 ARG 30 -8.028 7.331 -6.612 282 HH21 ARG 30 HH21 ARG 30 -6.193 5.637 -9.054 283 HH22 ARG 30 HH22 ARG 30 -7.756 5.871 -8.346 284 H ARG 31 HN ARG 31 -3.072 9.616 -1.564 285 HA ARG 31 HA ARG 31 -3.577 7.265 -0.117 286 HE ARG 31 HE ARG 31 -0.133 10.162 0.712 287 HB2 ARG 31 HB2 ARG 31 -2.021 9.575 0.218 288 HB3 ARG 31 HB1 ARG 31 -3.076 9.524 1.622 289 HG2 ARG 31 HG2 ARG 31 -2.245 7.441 2.308 290 HG3 ARG 31 HG1 ARG 31 -1.482 7.140 0.746 291 HD2 ARG 31 HD2 ARG 31 -0.673 9.179 2.810 292 HD3 ARG 31 HD1 ARG 31 0.218 7.737 2.336 293 HH11 ARG 31 HH11 ARG 31 1.488 7.115 1.289 294 HH12 ARG 31 HH12 ARG 31 2.717 7.411 0.107 295 HH21 ARG 31 HH21 ARG 31 1.482 10.537 -0.839 296 HH22 ARG 31 HH22 ARG 31 2.714 9.348 -1.099 297 H GLN 32 HN GLN 32 -5.059 10.488 0.086 298 HA GLN 32 HA GLN 32 -6.862 9.836 2.168 299 HB2 GLN 32 HB2 GLN 32 -6.177 12.154 1.508 300 HB3 GLN 32 HB1 GLN 32 -7.180 11.989 0.073 301 HG2 GLN 32 HG2 GLN 32 -8.620 11.351 2.509 302 HG3 GLN 32 HG1 GLN 32 -7.964 12.987 2.518 303 HE21 GLN 32 HE21 GLN 32 -10.180 10.791 1.005 304 HE22 GLN 32 HE22 GLN 32 -11.045 11.971 0.086 305 H GLN 33 HN GLN 33 -7.122 9.782 -1.354 306 HA GLN 33 HA GLN 33 -9.890 9.203 -1.451 307 HB2 GLN 33 HB2 GLN 33 -7.626 8.925 -3.403 308 HB3 GLN 33 HB1 GLN 33 -9.216 8.277 -3.787 309 HG2 GLN 33 HG2 GLN 33 -9.823 10.800 -2.949 310 HG3 GLN 33 HG1 GLN 33 -8.268 11.039 -3.744 311 HE21 GLN 33 HE21 GLN 33 -10.858 11.995 -4.566 312 HE22 GLN 33 HE22 GLN 33 -11.161 11.329 -6.131 313 H LEU 34 HN LEU 34 -7.004 7.136 -1.583 314 HA LEU 34 HA LEU 34 -8.393 4.695 -1.872 315 HG LEU 34 HG LEU 34 -6.942 3.424 -2.968 316 HB2 LEU 34 HB2 LEU 34 -5.648 5.552 -1.318 317 HB3 LEU 34 HB1 LEU 34 -6.066 4.028 -0.561 318 HD11 LEU 34 HD11 LEU 34 -5.737 4.455 -4.749 319 HD12 LEU 34 HD12 LEU 34 -4.788 5.422 -3.621 320 HD13 LEU 34 HD13 LEU 34 -6.513 5.734 -3.814 321 HD21 LEU 34 HD21 LEU 34 -4.018 3.503 -2.236 322 HD22 LEU 34 HD22 LEU 34 -4.741 2.479 -3.477 323 HD23 LEU 34 HD23 LEU 34 -5.172 2.248 -1.782 324 H SER 35 HN SER 35 -7.214 6.453 0.965 325 HA SER 35 HA SER 35 -7.832 4.521 2.897 326 HG SER 35 HG SER 35 -8.522 8.137 2.982 327 HB2 SER 35 HB2 SER 35 -7.946 6.549 4.458 328 HB3 SER 35 HB1 SER 35 -6.437 6.311 3.577 329 H SER 36 HN SER 36 -9.754 7.187 1.583 330 HA SER 36 HA SER 36 -12.012 6.741 3.247 331 HG SER 36 HG SER 36 -11.887 9.060 3.323 332 HB2 SER 36 HB2 SER 36 -11.261 8.555 1.125 333 HB3 SER 36 HB1 SER 36 -12.918 7.993 0.903 334 H GLU 37 HN GLU 37 -11.299 5.846 -0.118 335 HA GLU 37 HA GLU 37 -13.749 4.565 -0.633 336 HB2 GLU 37 HB2 GLU 37 -11.274 5.005 -2.000 337 HB3 GLU 37 HB1 GLU 37 -11.734 3.319 -2.189 338 HG2 GLU 37 HG2 GLU 37 -13.981 4.103 -2.947 339 HG3 GLU 37 HG1 GLU 37 -13.343 5.746 -2.936 340 H LEU 38 HN LEU 38 -10.602 3.197 0.332 341 HA LEU 38 HA LEU 38 -11.760 0.558 0.588 342 HG LEU 38 HG LEU 38 -9.337 1.769 -1.114 343 HB2 LEU 38 HB2 LEU 38 -8.993 1.533 1.289 344 HB3 LEU 38 HB1 LEU 38 -9.503 -0.143 1.216 345 HD11 LEU 38 HD11 LEU 38 -7.682 -0.626 -0.336 346 HD12 LEU 38 HD12 LEU 38 -7.156 1.056 -0.397 347 HD13 LEU 38 HD13 LEU 38 -7.577 0.210 -1.885 348 HD21 LEU 38 HD21 LEU 38 -9.619 -0.905 -1.961 349 HD22 LEU 38 HD22 LEU 38 -10.746 0.432 -2.186 350 HD23 LEU 38 HD23 LEU 38 -10.886 -0.609 -0.770 351 H GLY 39 HN GLY 39 -11.476 3.269 2.592 352 HA2 GLY 39 HA2 GLY 39 -12.075 3.572 4.792 353 HA3 GLY 39 HA1 GLY 39 -12.602 1.896 4.817 354 H LEU 40 HN LEU 40 -9.353 2.972 4.018 355 HA LEU 40 HA LEU 40 -8.395 1.659 6.477 356 HG LEU 40 HG LEU 40 -8.708 -0.081 4.148 357 HB2 LEU 40 HB2 LEU 40 -7.163 1.842 3.735 358 HB3 LEU 40 HB1 LEU 40 -6.249 1.355 5.150 359 HD11 LEU 40 HD11 LEU 40 -6.437 -0.026 2.766 360 HD12 LEU 40 HD12 LEU 40 -7.425 -1.481 2.908 361 HD13 LEU 40 HD13 LEU 40 -6.007 -1.274 3.935 362 HD21 LEU 40 HD21 LEU 40 -6.725 -0.600 6.338 363 HD22 LEU 40 HD22 LEU 40 -7.670 -1.902 5.617 364 HD23 LEU 40 HD23 LEU 40 -8.485 -0.563 6.426 365 H ASN 41 HN ASN 41 -6.209 2.476 7.200 366 HA ASN 41 HA ASN 41 -6.352 5.351 7.436 367 HB2 ASN 41 HB2 ASN 41 -5.713 3.583 9.262 368 HB3 ASN 41 HB1 ASN 41 -4.106 3.712 8.554 369 HD21 ASN 41 HD21 ASN 41 -6.671 5.469 10.159 370 HD22 ASN 41 HD22 ASN 41 -5.683 6.764 10.735 371 H GLU 42 HN GLU 42 -4.927 6.841 6.647 372 HA GLU 42 HA GLU 42 -3.691 6.450 4.217 373 HB2 GLU 42 HB2 GLU 42 -3.041 8.465 6.373 374 HB3 GLU 42 HB1 GLU 42 -2.410 8.543 4.734 375 HG2 GLU 42 HG2 GLU 42 -4.763 8.630 3.912 376 HG3 GLU 42 HG1 GLU 42 -5.284 8.757 5.592 377 H ALA 43 HN ALA 43 -2.269 6.222 7.448 378 HA ALA 43 HA ALA 43 0.398 5.823 6.623 379 HB1 ALA 43 HB1 ALA 43 -0.664 4.608 9.136 380 HB2 ALA 43 HB2 ALA 43 -0.595 6.362 8.968 381 HB3 ALA 43 HB3 ALA 43 0.882 5.406 8.841 382 H GLN 44 HN GLN 44 -2.315 3.644 7.037 383 HA GLN 44 HA GLN 44 -0.821 1.231 6.927 384 HB2 GLN 44 HB2 GLN 44 -3.731 1.825 6.382 385 HB3 GLN 44 HB1 GLN 44 -3.057 0.201 6.379 386 HG2 GLN 44 HG2 GLN 44 -2.488 0.360 8.693 387 HG3 GLN 44 HG1 GLN 44 -2.924 2.068 8.733 388 HE21 GLN 44 HE21 GLN 44 -4.194 1.127 10.588 389 HE22 GLN 44 HE22 GLN 44 -5.799 0.592 10.239 390 H ILE 45 HN ILE 45 -2.499 3.174 4.490 391 HA ILE 45 HA ILE 45 -2.057 1.389 2.334 392 HB ILE 45 HB ILE 45 -2.418 4.385 2.173 393 HG12 ILE 45 HG12 ILE 45 -4.705 2.557 1.717 394 HG13 ILE 45 HG11 ILE 45 -4.170 2.722 3.387 395 HG21 ILE 45 HG21 ILE 45 -1.668 2.849 0.160 396 HG22 ILE 45 HG22 ILE 45 -2.840 4.148 -0.061 397 HG23 ILE 45 HG23 ILE 45 -3.392 2.482 0.105 398 HD11 ILE 45 HD11 ILE 45 -4.265 5.304 2.692 399 HD12 ILE 45 HD12 ILE 45 -5.636 4.424 3.370 400 HD13 ILE 45 HD13 ILE 45 -5.513 4.659 1.626 401 H LYS 46 HN LYS 46 -0.284 4.190 3.573 402 HA LYS 46 HA LYS 46 1.672 4.350 1.581 403 HB2 LYS 46 HB2 LYS 46 1.280 6.061 3.349 404 HB3 LYS 46 HB1 LYS 46 2.017 4.974 4.518 405 HG2 LYS 46 HG2 LYS 46 3.933 5.086 2.584 406 HG3 LYS 46 HG1 LYS 46 3.255 6.715 2.525 407 HD2 LYS 46 HD2 LYS 46 3.731 5.698 5.234 408 HD3 LYS 46 HD1 LYS 46 5.191 5.882 4.260 409 HE2 LYS 46 HE2 LYS 46 5.155 8.039 4.814 410 HE3 LYS 46 HE1 LYS 46 3.749 8.196 3.761 411 HZ1 LYS 46 HZ1 LYS 46 3.028 9.056 5.767 412 HZ2 LYS 46 HZ2 LYS 46 3.834 7.894 6.693 413 HZ3 LYS 46 HZ3 LYS 46 2.444 7.469 5.827 414 H ILE 47 HN ILE 47 1.639 2.515 4.627 415 HA ILE 47 HA ILE 47 4.228 1.415 4.323 416 HB ILE 47 HB ILE 47 1.896 0.257 5.857 417 HG12 ILE 47 HG12 ILE 47 4.102 1.802 7.143 418 HG13 ILE 47 HG11 ILE 47 2.837 2.698 6.309 419 HG21 ILE 47 HG21 ILE 47 3.744 -0.749 7.237 420 HG22 ILE 47 HG22 ILE 47 4.858 -0.265 5.958 421 HG23 ILE 47 HG23 ILE 47 3.563 -1.413 5.613 422 HD11 ILE 47 HD11 ILE 47 1.749 2.610 8.246 423 HD12 ILE 47 HD12 ILE 47 2.783 1.325 8.870 424 HD13 ILE 47 HD13 ILE 47 1.411 0.927 7.835 425 H TRP 48 HN TRP 48 1.005 0.239 3.439 426 HA TRP 48 HA TRP 48 1.768 -2.310 2.553 427 HD1 TRP 48 HD1 TRP 48 -1.044 -4.221 2.304 428 HE1 TRP 48 HE1 TRP 48 -1.576 -5.435 0.097 429 HE3 TRP 48 HE3 TRP 48 0.067 -0.461 -0.981 430 HZ2 TRP 48 HZ2 TRP 48 -1.529 -4.874 -2.669 431 HZ3 TRP 48 HZ3 TRP 48 -0.202 -0.884 -3.390 432 HH2 TRP 48 HH2 TRP 48 -0.983 -3.044 -4.215 433 HB2 TRP 48 HB2 TRP 48 -0.569 -1.733 2.934 434 HB3 TRP 48 HB1 TRP 48 -0.518 -0.554 1.628 435 H PHE 49 HN PHE 49 1.486 0.771 0.822 436 HA PHE 49 HA PHE 49 2.169 -0.241 -1.725 437 HD1 PHE 49 HD1 PHE 49 -0.518 1.612 -0.930 438 HD2 PHE 49 HD2 PHE 49 2.314 2.241 -4.042 439 HE1 PHE 49 HE1 PHE 49 -2.347 1.685 -2.574 440 HE2 PHE 49 HE2 PHE 49 0.491 2.317 -5.691 441 HZ PHE 49 HZ PHE 49 -1.843 2.038 -4.960 442 HB2 PHE 49 HB2 PHE 49 1.812 2.400 -0.487 443 HB3 PHE 49 HB1 PHE 49 2.991 2.380 -1.796 444 H GLN 50 HN GLN 50 4.099 1.296 0.825 445 HA GLN 50 HA GLN 50 6.557 1.255 -0.548 446 HB2 GLN 50 HB2 GLN 50 5.726 1.518 2.306 447 HB3 GLN 50 HB1 GLN 50 7.418 1.189 1.961 448 HG2 GLN 50 HG2 GLN 50 7.489 3.184 0.526 449 HG3 GLN 50 HG1 GLN 50 5.812 3.525 0.950 450 HE21 GLN 50 HE21 GLN 50 5.706 3.066 3.588 451 HE22 GLN 50 HE22 GLN 50 6.762 4.134 4.444 452 H ASN 51 HN ASN 51 4.966 -1.084 1.554 453 HA ASN 51 HA ASN 51 7.137 -2.893 1.734 454 HB2 ASN 51 HB2 ASN 51 4.229 -2.968 2.357 455 HB3 ASN 51 HB1 ASN 51 5.052 -4.514 2.172 456 HD21 ASN 51 HD21 ASN 51 5.672 -1.365 3.692 457 HD22 ASN 51 HD22 ASN 51 6.244 -2.011 5.188 458 H LYS 52 HN LYS 52 4.245 -2.832 -0.336 459 HA LYS 52 HA LYS 52 4.886 -5.184 -1.767 460 HB2 LYS 52 HB2 LYS 52 2.713 -3.508 -1.634 461 HB3 LYS 52 HB1 LYS 52 3.334 -3.181 -3.245 462 HG2 LYS 52 HG2 LYS 52 2.979 -6.006 -2.367 463 HG3 LYS 52 HG1 LYS 52 1.571 -5.061 -2.856 464 HD2 LYS 52 HD2 LYS 52 2.791 -4.523 -4.981 465 HD3 LYS 52 HD1 LYS 52 4.023 -5.686 -4.492 466 HE2 LYS 52 HE2 LYS 52 2.688 -7.013 -5.801 467 HE3 LYS 52 HE1 LYS 52 1.958 -7.281 -4.218 468 HZ1 LYS 52 HZ1 LYS 52 0.407 -5.395 -4.839 469 HZ2 LYS 52 HZ2 LYS 52 0.182 -6.860 -5.655 470 HZ3 LYS 52 HZ3 LYS 52 0.971 -5.576 -6.424 471 H ARG 53 HN ARG 53 5.851 -1.853 -2.105 472 HA ARG 53 HA ARG 53 6.816 -2.037 -4.776 473 HE ARG 53 HE ARG 53 10.288 0.679 -6.095 474 HB2 ARG 53 HB2 ARG 53 6.275 0.069 -3.353 475 HB3 ARG 53 HB1 ARG 53 7.911 -0.118 -2.741 476 HG2 ARG 53 HG2 ARG 53 8.016 -0.302 -5.568 477 HG3 ARG 53 HG1 ARG 53 7.038 1.105 -5.148 478 HD2 ARG 53 HD2 ARG 53 8.936 2.215 -4.817 479 HD3 ARG 53 HD1 ARG 53 9.206 1.201 -3.403 480 HH11 ARG 53 HH11 ARG 53 10.449 0.291 -2.619 481 HH12 ARG 53 HH12 ARG 53 11.975 -0.520 -2.664 482 HH21 ARG 53 HH21 ARG 53 12.290 -0.390 -6.139 483 HH22 ARG 53 HH22 ARG 53 13.020 -0.907 -4.656 484 H ALA 54 HN ALA 54 8.324 -2.358 -1.591 485 HA ALA 54 HA ALA 54 10.962 -2.753 -2.575 486 HB1 ALA 54 HB1 ALA 54 11.455 -2.502 -0.425 487 HB2 ALA 54 HB2 ALA 54 10.604 -3.993 -0.023 488 HB3 ALA 54 HB3 ALA 54 9.732 -2.460 -0.056 489 H LYS 55 HN LYS 55 8.239 -4.854 -2.015 490 HA LYS 55 HA LYS 55 9.745 -7.292 -2.100 491 HB2 LYS 55 HB2 LYS 55 6.973 -6.504 -1.704 492 HB3 LYS 55 HB1 LYS 55 7.110 -7.928 -2.726 493 HG2 LYS 55 HG2 LYS 55 7.154 -9.051 -0.797 494 HG3 LYS 55 HG1 LYS 55 8.840 -8.539 -0.721 495 HD2 LYS 55 HD2 LYS 55 8.194 -7.769 1.312 496 HD3 LYS 55 HD1 LYS 55 7.680 -6.378 0.356 497 HE2 LYS 55 HE2 LYS 55 5.494 -6.797 0.689 498 HE3 LYS 55 HE1 LYS 55 5.706 -8.541 0.539 499 HZ1 LYS 55 HZ1 LYS 55 6.537 -7.019 2.943 500 HZ2 LYS 55 HZ2 LYS 55 6.387 -8.697 2.780 501 HZ3 LYS 55 HZ3 LYS 55 5.005 -7.722 2.784 502 H ILE 56 HN ILE 56 7.753 -5.481 -4.413 503 HA ILE 56 HA ILE 56 7.899 -7.364 -6.505 504 HB ILE 56 HB ILE 56 6.252 -5.545 -6.481 505 HG12 ILE 56 HG12 ILE 56 7.373 -4.723 -8.967 506 HG13 ILE 56 HG11 ILE 56 7.811 -6.410 -8.714 507 HG21 ILE 56 HG21 ILE 56 6.993 -3.270 -7.225 508 HG22 ILE 56 HG22 ILE 56 8.652 -3.788 -6.932 509 HG23 ILE 56 HG23 ILE 56 7.499 -3.726 -5.600 510 HD11 ILE 56 HD11 ILE 56 5.500 -5.575 -9.825 511 HD12 ILE 56 HD12 ILE 56 5.011 -5.765 -8.141 512 HD13 ILE 56 HD13 ILE 56 5.714 -7.127 -9.014 513 H LYS 57 HN LYS 57 10.011 -4.715 -5.552 514 HA LYS 57 HA LYS 57 12.121 -4.140 -6.175 515 HB2 LYS 57 HB2 LYS 57 12.505 -6.571 -5.717 516 HB3 LYS 57 HB1 LYS 57 12.243 -6.886 -7.427 517 HG2 LYS 57 HG2 LYS 57 14.145 -4.987 -7.583 518 HG3 LYS 57 HG1 LYS 57 14.573 -5.740 -6.046 519 HD2 LYS 57 HD2 LYS 57 13.942 -7.664 -8.151 520 HD3 LYS 57 HD1 LYS 57 15.323 -6.634 -8.531 521 HE2 LYS 57 HE2 LYS 57 16.092 -7.214 -6.120 522 HE3 LYS 57 HE1 LYS 57 14.961 -8.559 -6.268 523 HZ1 LYS 57 HZ1 LYS 57 16.495 -8.495 -8.594 524 HZ2 LYS 57 HZ2 LYS 57 16.513 -9.661 -7.371 525 HZ3 LYS 57 HZ3 LYS 57 17.569 -8.342 -7.295 526 H LYS 58 HN LYS 58 13.268 -3.249 -7.902 527 HA LYS 58 HA LYS 58 11.972 -3.474 -10.538 528 HB2 LYS 58 HB2 LYS 58 12.102 -1.193 -8.885 529 HB3 LYS 58 HB1 LYS 58 13.248 -0.915 -10.189 530 HG2 LYS 58 HG2 LYS 58 11.611 -0.952 -11.815 531 HG3 LYS 58 HG1 LYS 58 10.490 -1.872 -10.811 532 HD2 LYS 58 HD2 LYS 58 9.631 0.328 -10.893 533 HD3 LYS 58 HD1 LYS 58 10.382 0.161 -9.304 534 HE2 LYS 58 HE2 LYS 58 12.220 1.471 -9.907 535 HE3 LYS 58 HE1 LYS 58 11.904 1.284 -11.632 536 HZ1 LYS 58 HZ1 LYS 58 10.244 2.847 -11.588 537 HZ2 LYS 58 HZ2 LYS 58 11.299 3.485 -10.430 538 HZ3 LYS 58 HZ3 LYS 58 9.918 2.641 -9.940 539 H SER 59 HN SER 59 13.333 -3.205 -12.364 540 HA SER 59 HA SER 59 16.123 -2.751 -12.161 541 HG SER 59 HG SER 59 17.489 -6.000 -12.750 542 HB2 SER 59 HB2 SER 59 16.342 -4.906 -11.196 543 HB3 SER 59 HB1 SER 59 15.179 -5.613 -12.318 Start of MODEL 10 1 HA MET -1 HA MET -1 5.909 -17.860 10.788 2 H1 MET -1 HT1 MET -1 6.721 -18.432 8.652 3 H2 MET -1 HT2 MET -1 8.128 -17.478 8.891 4 H3 MET -1 HT3 MET -1 6.586 -16.729 8.796 5 HB2 MET -1 HB2 MET -1 7.744 -19.672 10.238 6 HB3 MET -1 HB1 MET -1 8.767 -18.637 11.224 7 HG2 MET -1 HG2 MET -1 6.962 -18.807 13.002 8 HG3 MET -1 HG1 MET -1 6.286 -20.114 12.030 9 HE1 MET -1 HE1 MET -1 7.807 -22.058 14.946 10 HE2 MET -1 HE2 MET -1 6.458 -21.033 14.456 11 HE3 MET -1 HE3 MET -1 7.826 -20.336 15.327 12 H ASP 0 HN ASP 0 5.702 -15.544 10.951 13 HA ASP 0 HA ASP 0 8.010 -14.171 12.138 14 HB2 ASP 0 HB2 ASP 0 6.528 -13.282 10.130 15 HB3 ASP 0 HB1 ASP 0 5.488 -12.731 11.442 16 H GLU 1 HN GLU 1 7.675 -12.805 14.004 17 HA GLU 1 HA GLU 1 5.317 -13.415 15.622 18 HB2 GLU 1 HB2 GLU 1 7.056 -15.065 16.240 19 HB3 GLU 1 HB1 GLU 1 8.145 -13.743 16.638 20 HG2 GLU 1 HG2 GLU 1 5.853 -13.198 18.096 21 HG3 GLU 1 HG1 GLU 1 6.041 -14.947 18.209 22 H LYS 2 HN LYS 2 4.589 -11.328 15.534 23 HA LYS 2 HA LYS 2 5.810 -9.454 17.302 24 HB2 LYS 2 HB2 LYS 2 6.830 -9.363 14.753 25 HB3 LYS 2 HB1 LYS 2 5.557 -8.152 14.685 26 HG2 LYS 2 HG2 LYS 2 6.612 -7.264 16.872 27 HG3 LYS 2 HG1 LYS 2 8.017 -8.211 16.379 28 HD2 LYS 2 HD2 LYS 2 7.073 -6.725 14.131 29 HD3 LYS 2 HD1 LYS 2 7.241 -5.631 15.505 30 HE2 LYS 2 HE2 LYS 2 9.541 -6.516 15.848 31 HE3 LYS 2 HE1 LYS 2 9.354 -7.457 14.369 32 HZ1 LYS 2 HZ1 LYS 2 9.776 -5.678 13.125 33 HZ2 LYS 2 HZ2 LYS 2 10.306 -4.912 14.536 34 HZ3 LYS 2 HZ3 LYS 2 8.718 -4.689 14.000 35 H ARG 3 HN ARG 3 4.623 -7.139 16.692 36 HA ARG 3 HA ARG 3 1.905 -7.617 17.334 37 HE ARG 3 HE ARG 3 1.586 -3.847 20.477 38 HB2 ARG 3 HB2 ARG 3 3.678 -5.427 17.393 39 HB3 ARG 3 HB1 ARG 3 2.336 -4.937 16.367 40 HG2 ARG 3 HG2 ARG 3 1.435 -4.315 18.329 41 HG3 ARG 3 HG1 ARG 3 0.971 -6.016 18.411 42 HD2 ARG 3 HD2 ARG 3 2.558 -6.515 19.982 43 HD3 ARG 3 HD1 ARG 3 3.646 -5.234 19.448 44 HH11 ARG 3 HH11 ARG 3 3.472 -6.506 21.728 45 HH12 ARG 3 HH12 ARG 3 3.284 -6.024 23.381 46 HH21 ARG 3 HH21 ARG 3 1.342 -3.211 22.650 47 HH22 ARG 3 HH22 ARG 3 2.075 -4.155 23.904 48 HA PRO 4 HA PRO 4 0.436 -8.250 13.152 49 HB2 PRO 4 HB2 PRO 4 -2.236 -8.042 13.748 50 HB3 PRO 4 HB1 PRO 4 -1.282 -9.513 13.968 51 HG2 PRO 4 HG2 PRO 4 -2.067 -7.442 15.979 52 HG3 PRO 4 HG1 PRO 4 -2.034 -9.208 16.143 53 HD2 PRO 4 HD2 PRO 4 -0.090 -7.654 17.162 54 HD3 PRO 4 HD1 PRO 4 0.256 -9.258 16.481 55 H ARG 5 HN ARG 5 -1.537 -7.133 11.884 56 HA ARG 5 HA ARG 5 -1.253 -4.227 12.283 57 HE ARG 5 HE ARG 5 2.117 -3.782 11.604 58 HB2 ARG 5 HB2 ARG 5 -0.577 -5.846 10.004 59 HB3 ARG 5 HB1 ARG 5 -1.846 -4.710 9.565 60 HG2 ARG 5 HG2 ARG 5 -0.343 -3.101 9.381 61 HG3 ARG 5 HG1 ARG 5 0.079 -3.294 11.084 62 HD2 ARG 5 HD2 ARG 5 1.215 -5.345 9.335 63 HD3 ARG 5 HD1 ARG 5 1.769 -3.711 8.972 64 HH11 ARG 5 HH11 ARG 5 2.938 -6.147 9.167 65 HH12 ARG 5 HH12 ARG 5 4.288 -6.770 10.053 66 HH21 ARG 5 HH21 ARG 5 3.896 -4.600 12.763 67 HH22 ARG 5 HH22 ARG 5 4.833 -5.893 12.091 68 H THR 6 HN THR 6 -3.003 -3.244 10.520 69 HA THR 6 HA THR 6 -5.501 -3.633 11.780 70 HB THR 6 HB THR 6 -5.077 -1.495 10.862 71 HG1 THR 6 HG1 THR 6 -6.823 -1.234 9.456 72 HG21 THR 6 HG21 THR 6 -3.772 -1.221 9.104 73 HG22 THR 6 HG22 THR 6 -5.096 -1.779 8.081 74 HG23 THR 6 HG23 THR 6 -3.903 -2.928 8.684 75 H ALA 7 HN ALA 7 -3.957 -5.390 9.313 76 HA ALA 7 HA ALA 7 -4.619 -7.239 8.148 77 HB1 ALA 7 HB1 ALA 7 -6.295 -8.497 8.973 78 HB2 ALA 7 HB2 ALA 7 -7.451 -7.165 8.942 79 HB3 ALA 7 HB3 ALA 7 -6.298 -7.301 10.270 80 H PHE 8 HN PHE 8 -5.492 -7.638 6.116 81 HA PHE 8 HA PHE 8 -7.100 -5.448 4.976 82 HD1 PHE 8 HD2 PHE 8 -5.910 -3.443 3.416 83 HD2 PHE 8 HD1 PHE 8 -3.023 -6.136 5.005 84 HE1 PHE 8 HE2 PHE 8 -4.481 -1.539 4.038 85 HE2 PHE 8 HE1 PHE 8 -1.590 -4.236 5.631 86 HZ PHE 8 HZ PHE 8 -2.319 -1.934 5.146 87 HB2 PHE 8 HB2 PHE 8 -4.808 -6.953 3.703 88 HB3 PHE 8 HB1 PHE 8 -5.879 -5.863 2.827 89 H SER 9 HN SER 9 -8.554 -5.993 3.305 90 HA SER 9 HA SER 9 -9.425 -8.795 3.402 91 HG SER 9 HG SER 9 -11.831 -6.632 1.438 92 HB2 SER 9 HB2 SER 9 -11.606 -8.062 2.948 93 HB3 SER 9 HB1 SER 9 -10.969 -6.794 3.995 94 H SER 10 HN SER 10 -10.268 -9.761 1.411 95 HA SER 10 HA SER 10 -8.455 -9.729 -0.684 96 HG SER 10 HG SER 10 -11.057 -10.298 -2.697 97 HB2 SER 10 HB2 SER 10 -9.872 -11.619 -0.508 98 HB3 SER 10 HB1 SER 10 -11.331 -10.629 -0.548 99 H GLU 11 HN GLU 11 -11.566 -8.047 -0.412 100 HA GLU 11 HA GLU 11 -11.528 -6.871 -2.974 101 HB2 GLU 11 HB2 GLU 11 -13.110 -6.634 -0.527 102 HB3 GLU 11 HB1 GLU 11 -12.961 -5.110 -1.392 103 HG2 GLU 11 HG2 GLU 11 -13.760 -7.614 -2.821 104 HG3 GLU 11 HG1 GLU 11 -14.941 -6.661 -1.924 105 H GLN 12 HN GLN 12 -10.268 -5.829 0.151 106 HA GLN 12 HA GLN 12 -9.576 -3.197 -0.636 107 HB2 GLN 12 HB2 GLN 12 -8.711 -5.007 1.598 108 HB3 GLN 12 HB1 GLN 12 -7.915 -3.461 1.346 109 HG2 GLN 12 HG2 GLN 12 -9.921 -2.264 1.733 110 HG3 GLN 12 HG1 GLN 12 -10.885 -3.739 1.687 111 HE21 GLN 12 HE21 GLN 12 -11.374 -2.326 3.786 112 HE22 GLN 12 HE22 GLN 12 -10.590 -2.921 5.206 113 H LEU 13 HN LEU 13 -7.637 -6.171 -0.348 114 HA LEU 13 HA LEU 13 -5.243 -5.062 -1.326 115 HG LEU 13 HG LEU 13 -5.590 -7.519 0.922 116 HB2 LEU 13 HB2 LEU 13 -6.302 -7.874 -1.232 117 HB3 LEU 13 HB1 LEU 13 -4.737 -7.509 -1.925 118 HD11 LEU 13 HD11 LEU 13 -3.518 -8.622 1.243 119 HD12 LEU 13 HD12 LEU 13 -2.933 -8.128 -0.347 120 HD13 LEU 13 HD13 LEU 13 -4.239 -9.306 -0.213 121 HD21 LEU 13 HD21 LEU 13 -3.470 -6.159 1.409 122 HD22 LEU 13 HD22 LEU 13 -4.920 -5.279 0.923 123 HD23 LEU 13 HD23 LEU 13 -3.631 -5.568 -0.246 124 H ALA 14 HN ALA 14 -8.052 -6.407 -2.911 125 HA ALA 14 HA ALA 14 -6.969 -6.736 -5.487 126 HB1 ALA 14 HB1 ALA 14 -8.987 -7.609 -5.795 127 HB2 ALA 14 HB2 ALA 14 -9.684 -5.990 -5.754 128 HB3 ALA 14 HB3 ALA 14 -9.541 -6.927 -4.268 129 H ARG 15 HN ARG 15 -8.719 -4.014 -4.014 130 HA ARG 15 HA ARG 15 -8.584 -2.326 -6.277 131 HE ARG 15 HE ARG 15 -13.340 -1.543 -5.816 132 HB2 ARG 15 HB2 ARG 15 -9.497 -2.147 -3.543 133 HB3 ARG 15 HB1 ARG 15 -8.643 -0.680 -3.999 134 HG2 ARG 15 HG2 ARG 15 -10.459 0.032 -5.036 135 HG3 ARG 15 HG1 ARG 15 -10.347 -1.333 -6.148 136 HD2 ARG 15 HD2 ARG 15 -11.698 -2.694 -4.699 137 HD3 ARG 15 HD1 ARG 15 -11.694 -1.445 -3.453 138 HH11 ARG 15 HH11 ARG 15 -11.988 0.508 -3.336 139 HH12 ARG 15 HH12 ARG 15 -13.204 1.728 -3.509 140 HH21 ARG 15 HH21 ARG 15 -14.939 0.062 -6.043 141 HH22 ARG 15 HH22 ARG 15 -14.879 1.476 -5.045 142 H LEU 16 HN LEU 16 -6.587 -2.498 -3.341 143 HA LEU 16 HA LEU 16 -4.812 -0.435 -4.011 144 HG LEU 16 HG LEU 16 -5.690 -0.338 -1.770 145 HB2 LEU 16 HB2 LEU 16 -4.587 -2.843 -2.231 146 HB3 LEU 16 HB1 LEU 16 -3.233 -1.749 -2.449 147 HD11 LEU 16 HD11 LEU 16 -5.282 -1.172 0.716 148 HD12 LEU 16 HD12 LEU 16 -4.846 -2.657 -0.131 149 HD13 LEU 16 HD13 LEU 16 -6.445 -1.948 -0.359 150 HD21 LEU 16 HD21 LEU 16 -4.201 0.671 -0.092 151 HD22 LEU 16 HD22 LEU 16 -3.505 0.701 -1.711 152 HD23 LEU 16 HD23 LEU 16 -2.944 -0.485 -0.533 153 H LYS 17 HN LYS 17 -4.720 -3.902 -4.685 154 HA LYS 17 HA LYS 17 -2.150 -3.988 -5.823 155 HB2 LYS 17 HB2 LYS 17 -4.569 -5.734 -5.932 156 HB3 LYS 17 HB1 LYS 17 -3.277 -6.021 -7.089 157 HG2 LYS 17 HG2 LYS 17 -1.832 -5.884 -4.835 158 HG3 LYS 17 HG1 LYS 17 -3.355 -6.488 -4.181 159 HD2 LYS 17 HD2 LYS 17 -3.323 -8.333 -5.772 160 HD3 LYS 17 HD1 LYS 17 -1.826 -7.716 -6.475 161 HE2 LYS 17 HE2 LYS 17 -1.990 -8.355 -3.554 162 HE3 LYS 17 HE1 LYS 17 -1.715 -9.634 -4.736 163 HZ1 LYS 17 HZ1 LYS 17 0.380 -8.983 -5.055 164 HZ2 LYS 17 HZ2 LYS 17 0.212 -8.115 -3.613 165 HZ3 LYS 17 HZ3 LYS 17 -0.017 -7.338 -5.098 166 H ARG 18 HN ARG 18 -5.349 -3.482 -7.249 167 HA ARG 18 HA ARG 18 -4.563 -3.414 -9.937 168 HE ARG 18 HE ARG 18 -4.418 -1.687 -12.191 169 HB2 ARG 18 HB2 ARG 18 -6.939 -3.394 -8.789 170 HB3 ARG 18 HB1 ARG 18 -6.771 -1.652 -8.962 171 HG2 ARG 18 HG2 ARG 18 -6.534 -3.616 -11.229 172 HG3 ARG 18 HG1 ARG 18 -8.001 -2.727 -10.818 173 HD2 ARG 18 HD2 ARG 18 -7.252 -1.160 -12.223 174 HD3 ARG 18 HD1 ARG 18 -6.107 -0.744 -10.950 175 HH11 ARG 18 HH11 ARG 18 -7.500 -2.552 -13.586 176 HH12 ARG 18 HH12 ARG 18 -6.802 -3.211 -15.028 177 HH21 ARG 18 HH21 ARG 18 -3.501 -2.553 -14.086 178 HH22 ARG 18 HH22 ARG 18 -4.532 -3.212 -15.311 179 H GLU 19 HN GLU 19 -4.745 -0.868 -7.491 180 HA GLU 19 HA GLU 19 -4.085 1.270 -9.230 181 HB2 GLU 19 HB2 GLU 19 -4.937 1.087 -6.641 182 HB3 GLU 19 HB1 GLU 19 -3.255 1.545 -6.419 183 HG2 GLU 19 HG2 GLU 19 -3.938 3.639 -6.684 184 HG3 GLU 19 HG1 GLU 19 -4.107 3.253 -8.396 185 H PHE 20 HN PHE 20 -2.160 -0.837 -7.140 186 HA PHE 20 HA PHE 20 0.309 0.470 -7.522 187 HD1 PHE 20 HD2 PHE 20 1.813 -3.106 -8.177 188 HD2 PHE 20 HD1 PHE 20 1.983 -0.334 -4.952 189 HE1 PHE 20 HE2 PHE 20 4.246 -3.441 -8.023 190 HE2 PHE 20 HE1 PHE 20 4.417 -0.663 -4.792 191 HZ PHE 20 HZ PHE 20 5.550 -2.219 -6.328 192 HB2 PHE 20 HB2 PHE 20 -0.104 -1.157 -5.709 193 HB3 PHE 20 HB1 PHE 20 -0.205 -2.447 -6.902 194 H ASN 21 HN ASN 21 -1.401 -1.984 -9.351 195 HA ASN 21 HA ASN 21 0.713 -2.778 -11.036 196 HB2 ASN 21 HB2 ASN 21 -2.103 -3.273 -10.813 197 HB3 ASN 21 HB1 ASN 21 -1.719 -2.923 -12.496 198 HD21 ASN 21 HD21 ASN 21 0.680 -3.985 -12.894 199 HD22 ASN 21 HD22 ASN 21 0.671 -5.688 -12.612 200 H GLU 22 HN GLU 22 -1.491 -0.068 -11.112 201 HA GLU 22 HA GLU 22 -0.710 0.748 -13.774 202 HB2 GLU 22 HB2 GLU 22 -2.417 2.059 -11.653 203 HB3 GLU 22 HB1 GLU 22 -2.099 2.781 -13.224 204 HG2 GLU 22 HG2 GLU 22 -3.281 1.091 -14.356 205 HG3 GLU 22 HG1 GLU 22 -3.323 0.058 -12.927 206 H ASN 23 HN ASN 23 0.039 1.565 -10.453 207 HA ASN 23 HA ASN 23 2.487 2.828 -11.229 208 HB2 ASN 23 HB2 ASN 23 0.311 4.518 -11.198 209 HB3 ASN 23 HB1 ASN 23 0.988 4.737 -9.587 210 HD21 ASN 23 HD21 ASN 23 1.846 6.723 -9.823 211 HD22 ASN 23 HD22 ASN 23 3.109 7.113 -10.935 212 H ARG 24 HN ARG 24 3.859 2.057 -9.794 213 HA ARG 24 HA ARG 24 3.034 1.034 -7.265 214 HE ARG 24 HE ARG 24 9.177 1.267 -9.247 215 HB2 ARG 24 HB2 ARG 24 5.513 0.687 -6.920 216 HB3 ARG 24 HB1 ARG 24 4.809 -0.116 -8.315 217 HG2 ARG 24 HG2 ARG 24 5.631 1.830 -9.698 218 HG3 ARG 24 HG1 ARG 24 6.538 2.340 -8.275 219 HD2 ARG 24 HD2 ARG 24 7.550 0.026 -8.248 220 HD3 ARG 24 HD1 ARG 24 6.821 -0.217 -9.834 221 HH11 ARG 24 HH11 ARG 24 6.425 1.145 -11.391 222 HH12 ARG 24 HH12 ARG 24 7.240 1.959 -12.685 223 HH21 ARG 24 HH21 ARG 24 10.250 2.333 -10.947 224 HH22 ARG 24 HH22 ARG 24 9.412 2.632 -12.434 225 H TYR 25 HN TYR 25 3.318 4.141 -8.127 226 HA TYR 25 HA TYR 25 4.649 5.046 -5.688 227 HD1 TYR 25 HD1 TYR 25 4.182 5.000 -9.622 228 HD2 TYR 25 HD2 TYR 25 7.033 6.982 -7.165 229 HE1 TYR 25 HE1 TYR 25 5.963 4.376 -11.196 230 HE2 TYR 25 HE2 TYR 25 8.822 6.364 -8.734 231 HH TYR 25 HH TYR 25 9.056 5.747 -11.112 232 HB2 TYR 25 HB2 TYR 25 3.549 6.790 -7.891 233 HB3 TYR 25 HB1 TYR 25 4.756 7.208 -6.680 234 H LEU 26 HN LEU 26 3.541 7.025 -4.641 235 HA LEU 26 HA LEU 26 0.642 6.914 -4.748 236 HG LEU 26 HG LEU 26 0.782 4.166 -3.191 237 HB2 LEU 26 HB2 LEU 26 2.254 5.792 -2.562 238 HB3 LEU 26 HB1 LEU 26 0.995 6.888 -2.035 239 HD11 LEU 26 HD11 LEU 26 0.396 4.485 -0.847 240 HD12 LEU 26 HD12 LEU 26 -1.155 4.138 -1.614 241 HD13 LEU 26 HD13 LEU 26 -0.744 5.794 -1.165 242 HD21 LEU 26 HD21 LEU 26 -0.400 5.342 -4.913 243 HD22 LEU 26 HD22 LEU 26 -1.257 6.318 -3.719 244 HD23 LEU 26 HD23 LEU 26 -1.581 4.589 -3.842 245 H THR 27 HN THR 27 -0.102 8.899 -4.731 246 HA THR 27 HA THR 27 1.570 11.067 -3.713 247 HB THR 27 HB THR 27 0.238 12.542 -4.988 248 HG1 THR 27 HG1 THR 27 -1.822 12.176 -4.759 249 HG21 THR 27 HG21 THR 27 0.333 9.964 -6.537 250 HG22 THR 27 HG22 THR 27 1.579 11.212 -6.484 251 HG23 THR 27 HG23 THR 27 0.015 11.555 -7.226 252 H GLU 28 HN GLU 28 0.407 12.845 -2.502 253 HA GLU 28 HA GLU 28 -0.674 11.882 -0.124 254 HB2 GLU 28 HB2 GLU 28 -0.591 14.567 -1.437 255 HB3 GLU 28 HB1 GLU 28 -1.616 14.354 -0.024 256 HG2 GLU 28 HG2 GLU 28 0.211 13.847 1.359 257 HG3 GLU 28 HG1 GLU 28 1.283 13.586 -0.016 258 H ARG 29 HN ARG 29 -2.325 13.363 -2.894 259 HA ARG 29 HA ARG 29 -4.943 13.122 -1.944 260 HE ARG 29 HE ARG 29 -3.460 17.329 -2.821 261 HB2 ARG 29 HB2 ARG 29 -4.073 12.991 -4.832 262 HB3 ARG 29 HB1 ARG 29 -5.648 13.479 -4.223 263 HG2 ARG 29 HG2 ARG 29 -3.048 14.945 -3.846 264 HG3 ARG 29 HG1 ARG 29 -4.386 15.417 -4.894 265 HD2 ARG 29 HD2 ARG 29 -5.830 15.574 -2.881 266 HD3 ARG 29 HD1 ARG 29 -4.416 15.244 -1.885 267 HH11 ARG 29 HH11 ARG 29 -6.932 16.886 -2.841 268 HH12 ARG 29 HH12 ARG 29 -7.264 18.583 -2.866 269 HH21 ARG 29 HH21 ARG 29 -3.910 19.553 -2.854 270 HH22 ARG 29 HH22 ARG 29 -5.556 20.095 -2.873 271 H ARG 30 HN ARG 30 -2.880 10.823 -3.656 272 HA ARG 30 HA ARG 30 -4.940 8.940 -4.200 273 HE ARG 30 HE ARG 30 -3.094 7.890 -8.528 274 HB2 ARG 30 HB2 ARG 30 -2.014 9.063 -4.437 275 HB3 ARG 30 HB1 ARG 30 -2.647 7.452 -4.132 276 HG2 ARG 30 HG2 ARG 30 -4.275 7.997 -6.071 277 HG3 ARG 30 HG1 ARG 30 -3.091 9.242 -6.476 278 HD2 ARG 30 HD2 ARG 30 -1.336 7.517 -6.540 279 HD3 ARG 30 HD1 ARG 30 -2.549 6.288 -6.190 280 HH11 ARG 30 HH11 ARG 30 -1.569 5.004 -7.288 281 HH12 ARG 30 HH12 ARG 30 -1.590 4.187 -8.813 282 HH21 ARG 30 HH21 ARG 30 -3.119 6.815 -10.536 283 HH22 ARG 30 HH22 ARG 30 -2.469 5.214 -10.657 284 H ARG 31 HN ARG 31 -2.548 9.272 -1.617 285 HA ARG 31 HA ARG 31 -3.065 6.880 -0.277 286 HE ARG 31 HE ARG 31 -1.160 10.060 3.212 287 HB2 ARG 31 HB2 ARG 31 -1.131 8.263 0.244 288 HB3 ARG 31 HB1 ARG 31 -2.175 9.552 0.826 289 HG2 ARG 31 HG2 ARG 31 -2.750 8.387 2.755 290 HG3 ARG 31 HG1 ARG 31 -2.239 6.837 2.084 291 HD2 ARG 31 HD2 ARG 31 -0.481 7.280 3.484 292 HD3 ARG 31 HD1 ARG 31 0.106 8.012 1.991 293 HH11 ARG 31 HH11 ARG 31 1.274 7.799 4.282 294 HH12 ARG 31 HH12 ARG 31 1.994 8.910 5.397 295 HH21 ARG 31 HH21 ARG 31 -0.213 11.523 4.679 296 HH22 ARG 31 HH22 ARG 31 1.150 11.024 5.624 297 H GLN 32 HN GLN 32 -4.449 10.117 0.255 298 HA GLN 32 HA GLN 32 -6.220 9.314 2.313 299 HB2 GLN 32 HB2 GLN 32 -5.393 11.693 1.582 300 HB3 GLN 32 HB1 GLN 32 -6.806 11.651 0.536 301 HG2 GLN 32 HG2 GLN 32 -7.917 10.893 2.868 302 HG3 GLN 32 HG1 GLN 32 -6.617 11.930 3.455 303 HE21 GLN 32 HE21 GLN 32 -8.820 12.029 0.671 304 HE22 GLN 32 HE22 GLN 32 -9.389 13.634 0.962 305 H GLN 33 HN GLN 33 -6.548 9.560 -1.189 306 HA GLN 33 HA GLN 33 -9.348 9.157 -1.284 307 HB2 GLN 33 HB2 GLN 33 -7.107 9.069 -3.235 308 HB3 GLN 33 HB1 GLN 33 -8.596 8.248 -3.687 309 HG2 GLN 33 HG2 GLN 33 -9.395 10.729 -2.689 310 HG3 GLN 33 HG1 GLN 33 -7.977 11.055 -3.685 311 HE21 GLN 33 HE21 GLN 33 -11.282 10.511 -3.668 312 HE22 GLN 33 HE22 GLN 33 -11.518 10.287 -5.365 313 H LEU 34 HN LEU 34 -6.595 6.939 -1.528 314 HA LEU 34 HA LEU 34 -8.095 4.606 -2.034 315 HG LEU 34 HG LEU 34 -6.669 3.738 -3.361 316 HB2 LEU 34 HB2 LEU 34 -5.352 5.302 -1.496 317 HB3 LEU 34 HB1 LEU 34 -5.792 3.874 -0.579 318 HD11 LEU 34 HD11 LEU 34 -4.223 3.202 -4.047 319 HD12 LEU 34 HD12 LEU 34 -3.803 4.284 -2.719 320 HD13 LEU 34 HD13 LEU 34 -4.785 4.874 -4.059 321 HD21 LEU 34 HD21 LEU 34 -5.346 2.032 -1.323 322 HD22 LEU 34 HD22 LEU 34 -5.136 1.604 -3.020 323 HD23 LEU 34 HD23 LEU 34 -6.756 1.707 -2.331 324 H SER 35 HN SER 35 -6.955 6.107 0.956 325 HA SER 35 HA SER 35 -7.750 4.103 2.744 326 HG SER 35 HG SER 35 -5.397 6.127 3.077 327 HB2 SER 35 HB2 SER 35 -7.310 7.069 3.023 328 HB3 SER 35 HB1 SER 35 -7.851 6.095 4.389 329 H SER 36 HN SER 36 -9.415 7.066 1.737 330 HA SER 36 HA SER 36 -11.790 6.538 3.199 331 HG SER 36 HG SER 36 -11.624 9.304 3.428 332 HB2 SER 36 HB2 SER 36 -11.342 8.364 0.827 333 HB3 SER 36 HB1 SER 36 -12.761 8.383 1.875 334 H GLU 37 HN GLU 37 -10.820 5.902 -0.136 335 HA GLU 37 HA GLU 37 -13.335 5.132 -1.118 336 HB2 GLU 37 HB2 GLU 37 -10.511 4.683 -1.957 337 HB3 GLU 37 HB1 GLU 37 -11.760 3.692 -2.699 338 HG2 GLU 37 HG2 GLU 37 -12.316 6.579 -2.619 339 HG3 GLU 37 HG1 GLU 37 -10.964 6.086 -3.638 340 H LEU 38 HN LEU 38 -10.699 3.172 0.249 341 HA LEU 38 HA LEU 38 -12.324 0.777 0.125 342 HG LEU 38 HG LEU 38 -9.902 0.895 -1.395 343 HB2 LEU 38 HB2 LEU 38 -9.523 1.380 1.011 344 HB3 LEU 38 HB1 LEU 38 -10.271 -0.155 1.412 345 HD11 LEU 38 HD11 LEU 38 -8.445 -1.466 -0.331 346 HD12 LEU 38 HD12 LEU 38 -7.862 0.144 0.094 347 HD13 LEU 38 HD13 LEU 38 -7.988 -0.329 -1.600 348 HD21 LEU 38 HD21 LEU 38 -11.132 -1.565 -0.234 349 HD22 LEU 38 HD22 LEU 38 -10.335 -1.643 -1.806 350 HD23 LEU 38 HD23 LEU 38 -11.693 -0.545 -1.558 351 H GLY 39 HN GLY 39 -10.553 2.366 2.790 352 HA2 GLY 39 HA2 GLY 39 -12.185 3.038 4.661 353 HA3 GLY 39 HA1 GLY 39 -12.608 1.332 4.631 354 H LEU 40 HN LEU 40 -9.423 2.863 4.332 355 HA LEU 40 HA LEU 40 -8.661 1.611 6.884 356 HG LEU 40 HG LEU 40 -8.976 -0.105 4.785 357 HB2 LEU 40 HB2 LEU 40 -6.927 1.712 4.417 358 HB3 LEU 40 HB1 LEU 40 -6.521 0.969 5.952 359 HD11 LEU 40 HD11 LEU 40 -8.289 -0.830 2.782 360 HD12 LEU 40 HD12 LEU 40 -6.652 -1.159 3.350 361 HD13 LEU 40 HD13 LEU 40 -7.112 0.480 2.887 362 HD21 LEU 40 HD21 LEU 40 -6.393 -1.350 5.720 363 HD22 LEU 40 HD22 LEU 40 -7.874 -2.223 5.330 364 HD23 LEU 40 HD23 LEU 40 -7.844 -1.104 6.692 365 H ASN 41 HN ASN 41 -6.396 2.495 7.549 366 HA ASN 41 HA ASN 41 -6.665 5.369 7.665 367 HB2 ASN 41 HB2 ASN 41 -5.837 3.567 9.492 368 HB3 ASN 41 HB1 ASN 41 -4.278 4.058 8.838 369 HD21 ASN 41 HD21 ASN 41 -3.499 5.251 10.470 370 HD22 ASN 41 HD22 ASN 41 -4.254 6.674 11.095 371 H GLU 42 HN GLU 42 -5.186 6.883 6.926 372 HA GLU 42 HA GLU 42 -4.013 6.490 4.460 373 HB2 GLU 42 HB2 GLU 42 -3.310 8.497 6.607 374 HB3 GLU 42 HB1 GLU 42 -2.707 8.573 4.957 375 HG2 GLU 42 HG2 GLU 42 -4.734 9.184 4.093 376 HG3 GLU 42 HG1 GLU 42 -5.643 8.416 5.393 377 H ALA 43 HN ALA 43 -2.549 6.222 7.664 378 HA ALA 43 HA ALA 43 0.105 5.809 6.802 379 HB1 ALA 43 HB1 ALA 43 0.592 5.203 9.023 380 HB2 ALA 43 HB2 ALA 43 -1.062 4.672 9.326 381 HB3 ALA 43 HB3 ALA 43 -0.708 6.390 9.139 382 H GLN 44 HN GLN 44 -2.630 3.662 7.208 383 HA GLN 44 HA GLN 44 -1.174 1.228 7.055 384 HB2 GLN 44 HB2 GLN 44 -4.076 1.811 6.433 385 HB3 GLN 44 HB1 GLN 44 -3.383 0.203 6.594 386 HG2 GLN 44 HG2 GLN 44 -2.912 0.561 8.906 387 HG3 GLN 44 HG1 GLN 44 -3.360 2.261 8.785 388 HE21 GLN 44 HE21 GLN 44 -4.772 1.691 10.591 389 HE22 GLN 44 HE22 GLN 44 -6.330 1.026 10.251 390 H ILE 45 HN ILE 45 -2.798 3.266 4.668 391 HA ILE 45 HA ILE 45 -2.453 1.536 2.459 392 HB ILE 45 HB ILE 45 -2.595 4.553 2.382 393 HG12 ILE 45 HG12 ILE 45 -4.466 3.520 3.676 394 HG13 ILE 45 HG11 ILE 45 -4.995 4.340 2.212 395 HG21 ILE 45 HG21 ILE 45 -2.624 2.430 0.357 396 HG22 ILE 45 HG22 ILE 45 -2.188 4.133 0.215 397 HG23 ILE 45 HG23 ILE 45 -3.884 3.650 0.175 398 HD11 ILE 45 HD11 ILE 45 -5.530 1.707 3.014 399 HD12 ILE 45 HD12 ILE 45 -4.464 1.604 1.614 400 HD13 ILE 45 HD13 ILE 45 -5.980 2.498 1.503 401 H LYS 46 HN LYS 46 -0.524 4.226 3.726 402 HA LYS 46 HA LYS 46 1.450 4.280 1.751 403 HB2 LYS 46 HB2 LYS 46 0.957 5.819 3.856 404 HB3 LYS 46 HB1 LYS 46 2.198 4.812 4.588 405 HG2 LYS 46 HG2 LYS 46 2.630 6.203 1.967 406 HG3 LYS 46 HG1 LYS 46 2.933 6.997 3.514 407 HD2 LYS 46 HD2 LYS 46 4.165 4.363 2.728 408 HD3 LYS 46 HD1 LYS 46 4.940 5.922 2.444 409 HE2 LYS 46 HE2 LYS 46 3.965 5.437 5.187 410 HE3 LYS 46 HE1 LYS 46 5.320 4.440 4.661 411 HZ1 LYS 46 HZ1 LYS 46 6.280 6.705 3.892 412 HZ2 LYS 46 HZ2 LYS 46 6.374 6.271 5.525 413 HZ3 LYS 46 HZ3 LYS 46 5.185 7.357 5.006 414 H ILE 47 HN ILE 47 1.325 2.457 4.806 415 HA ILE 47 HA ILE 47 3.863 1.268 4.570 416 HB ILE 47 HB ILE 47 1.408 0.235 6.000 417 HG12 ILE 47 HG12 ILE 47 3.812 1.591 7.210 418 HG13 ILE 47 HG11 ILE 47 2.426 2.510 6.633 419 HG21 ILE 47 HG21 ILE 47 3.822 -1.107 5.466 420 HG22 ILE 47 HG22 ILE 47 2.538 -1.589 6.574 421 HG23 ILE 47 HG23 ILE 47 3.889 -0.617 7.158 422 HD11 ILE 47 HD11 ILE 47 2.651 1.738 9.143 423 HD12 ILE 47 HD12 ILE 47 1.917 0.268 8.502 424 HD13 ILE 47 HD13 ILE 47 1.087 1.816 8.332 425 H TRP 48 HN TRP 48 0.667 0.219 3.449 426 HA TRP 48 HA TRP 48 1.417 -2.335 2.559 427 HD1 TRP 48 HD1 TRP 48 -1.194 -4.176 2.425 428 HE1 TRP 48 HE1 TRP 48 -1.706 -5.591 0.337 429 HE3 TRP 48 HE3 TRP 48 -0.306 -0.655 -1.183 430 HZ2 TRP 48 HZ2 TRP 48 -1.729 -5.262 -2.465 431 HZ3 TRP 48 HZ3 TRP 48 -0.594 -1.292 -3.541 432 HH2 TRP 48 HH2 TRP 48 -1.289 -3.545 -4.166 433 HB2 TRP 48 HB2 TRP 48 -0.938 -1.551 2.793 434 HB3 TRP 48 HB1 TRP 48 -0.711 -0.544 1.366 435 H PHE 49 HN PHE 49 1.218 0.745 0.793 436 HA PHE 49 HA PHE 49 2.179 -0.278 -1.658 437 HD1 PHE 49 HD1 PHE 49 2.414 1.760 -4.026 438 HD2 PHE 49 HD2 PHE 49 -0.669 1.876 -1.097 439 HE1 PHE 49 HE1 PHE 49 0.723 1.738 -5.812 440 HE2 PHE 49 HE2 PHE 49 -2.368 1.854 -2.877 441 HZ PHE 49 HZ PHE 49 -1.672 1.783 -5.239 442 HB2 PHE 49 HB2 PHE 49 1.607 2.370 -0.511 443 HB3 PHE 49 HB1 PHE 49 2.885 2.370 -1.722 444 H GLN 50 HN GLN 50 3.761 1.195 1.127 445 HA GLN 50 HA GLN 50 6.338 1.430 0.031 446 HB2 GLN 50 HB2 GLN 50 5.629 2.528 2.128 447 HB3 GLN 50 HB1 GLN 50 5.562 0.958 2.916 448 HG2 GLN 50 HG2 GLN 50 7.977 0.682 2.488 449 HG3 GLN 50 HG1 GLN 50 8.012 2.306 1.806 450 HE21 GLN 50 HE21 GLN 50 6.610 0.798 4.702 451 HE22 GLN 50 HE22 GLN 50 7.253 1.947 5.819 452 H ASN 51 HN ASN 51 4.763 -1.203 1.803 453 HA ASN 51 HA ASN 51 7.047 -2.892 1.868 454 HB2 ASN 51 HB2 ASN 51 4.281 -3.021 2.710 455 HB3 ASN 51 HB1 ASN 51 4.769 -4.534 1.951 456 HD21 ASN 51 HD21 ASN 51 4.687 -2.826 4.783 457 HD22 ASN 51 HD22 ASN 51 5.865 -3.718 5.679 458 H LYS 52 HN LYS 52 4.375 -2.460 -0.372 459 HA LYS 52 HA LYS 52 4.962 -4.720 -1.997 460 HB2 LYS 52 HB2 LYS 52 2.931 -2.807 -1.856 461 HB3 LYS 52 HB1 LYS 52 3.677 -2.541 -3.426 462 HG2 LYS 52 HG2 LYS 52 3.152 -5.352 -2.779 463 HG3 LYS 52 HG1 LYS 52 1.715 -4.340 -2.927 464 HD2 LYS 52 HD2 LYS 52 2.708 -3.519 -5.121 465 HD3 LYS 52 HD1 LYS 52 3.857 -4.851 -4.978 466 HE2 LYS 52 HE2 LYS 52 1.210 -5.831 -4.517 467 HE3 LYS 52 HE1 LYS 52 1.235 -4.910 -6.020 468 HZ1 LYS 52 HZ1 LYS 52 2.921 -7.242 -5.307 469 HZ2 LYS 52 HZ2 LYS 52 3.213 -6.266 -6.657 470 HZ3 LYS 52 HZ3 LYS 52 1.770 -7.139 -6.544 471 H ARG 53 HN ARG 53 5.880 -1.323 -2.060 472 HA ARG 53 HA ARG 53 7.182 -1.330 -4.561 473 HE ARG 53 HE ARG 53 9.140 3.783 -3.888 474 HB2 ARG 53 HB2 ARG 53 6.553 0.574 -2.702 475 HB3 ARG 53 HB1 ARG 53 8.296 0.461 -2.506 476 HG2 ARG 53 HG2 ARG 53 8.687 1.080 -4.748 477 HG3 ARG 53 HG1 ARG 53 6.991 0.854 -5.182 478 HD2 ARG 53 HD2 ARG 53 6.467 2.927 -4.553 479 HD3 ARG 53 HD1 ARG 53 7.292 2.739 -3.007 480 HH11 ARG 53 HH11 ARG 53 6.910 3.010 -6.457 481 HH12 ARG 53 HH12 ARG 53 7.756 3.947 -7.643 482 HH21 ARG 53 HH21 ARG 53 10.252 5.020 -5.445 483 HH22 ARG 53 HH22 ARG 53 9.652 5.089 -7.068 484 H ALA 54 HN ALA 54 8.345 -1.894 -1.267 485 HA ALA 54 HA ALA 54 11.076 -2.200 -1.980 486 HB1 ALA 54 HB1 ALA 54 10.555 -1.607 0.263 487 HB2 ALA 54 HB2 ALA 54 11.283 -3.213 0.300 488 HB3 ALA 54 HB3 ALA 54 9.536 -3.031 0.468 489 H LYS 55 HN LYS 55 8.410 -4.214 -2.474 490 HA LYS 55 HA LYS 55 9.704 -6.739 -2.140 491 HB2 LYS 55 HB2 LYS 55 7.080 -5.815 -2.684 492 HB3 LYS 55 HB1 LYS 55 7.525 -6.901 -3.993 493 HG2 LYS 55 HG2 LYS 55 6.939 -8.579 -2.671 494 HG3 LYS 55 HG1 LYS 55 8.365 -8.214 -1.697 495 HD2 LYS 55 HD2 LYS 55 6.501 -8.265 -0.217 496 HD3 LYS 55 HD1 LYS 55 6.950 -6.570 -0.424 497 HE2 LYS 55 HE2 LYS 55 4.742 -6.304 -0.790 498 HE3 LYS 55 HE1 LYS 55 5.155 -6.840 -2.417 499 HZ1 LYS 55 HZ1 LYS 55 4.302 -8.690 -0.264 500 HZ2 LYS 55 HZ2 LYS 55 4.460 -9.032 -1.913 501 HZ3 LYS 55 HZ3 LYS 55 3.229 -8.003 -1.378 502 H ILE 56 HN ILE 56 9.499 -4.400 -4.694 503 HA ILE 56 HA ILE 56 10.710 -6.292 -6.588 504 HB ILE 56 HB ILE 56 9.595 -3.546 -7.165 505 HG12 ILE 56 HG12 ILE 56 7.888 -5.250 -8.383 506 HG13 ILE 56 HG11 ILE 56 8.328 -6.218 -6.980 507 HG21 ILE 56 HG21 ILE 56 11.322 -4.390 -8.733 508 HG22 ILE 56 HG22 ILE 56 9.742 -4.166 -9.483 509 HG23 ILE 56 HG23 ILE 56 10.295 -5.786 -9.056 510 HD11 ILE 56 HD11 ILE 56 6.938 -3.576 -7.079 511 HD12 ILE 56 HD12 ILE 56 7.756 -4.122 -5.617 512 HD13 ILE 56 HD13 ILE 56 6.436 -5.073 -6.295 513 H LYS 57 HN LYS 57 11.112 -3.024 -5.257 514 HA LYS 57 HA LYS 57 13.666 -2.637 -6.503 515 HB2 LYS 57 HB2 LYS 57 11.815 -1.075 -4.888 516 HB3 LYS 57 HB1 LYS 57 13.486 -0.815 -4.407 517 HG2 LYS 57 HG2 LYS 57 13.945 -0.453 -6.901 518 HG3 LYS 57 HG1 LYS 57 12.194 -0.294 -7.056 519 HD2 LYS 57 HD2 LYS 57 13.010 1.292 -4.850 520 HD3 LYS 57 HD1 LYS 57 14.096 1.648 -6.195 521 HE2 LYS 57 HE2 LYS 57 12.152 3.129 -6.202 522 HE3 LYS 57 HE1 LYS 57 12.183 2.102 -7.635 523 HZ1 LYS 57 HZ1 LYS 57 10.063 1.713 -7.072 524 HZ2 LYS 57 HZ2 LYS 57 10.275 2.184 -5.461 525 HZ3 LYS 57 HZ3 LYS 57 10.717 0.626 -5.951 526 H LYS 58 HN LYS 58 15.586 -3.303 -5.804 527 HA LYS 58 HA LYS 58 15.767 -4.490 -3.132 528 HB2 LYS 58 HB2 LYS 58 17.643 -4.683 -5.497 529 HB3 LYS 58 HB1 LYS 58 17.855 -5.517 -3.963 530 HG2 LYS 58 HG2 LYS 58 15.266 -5.958 -5.284 531 HG3 LYS 58 HG1 LYS 58 16.675 -6.597 -6.134 532 HD2 LYS 58 HD2 LYS 58 16.944 -8.246 -4.646 533 HD3 LYS 58 HD1 LYS 58 16.748 -7.150 -3.277 534 HE2 LYS 58 HE2 LYS 58 14.549 -7.609 -3.053 535 HE3 LYS 58 HE1 LYS 58 14.294 -7.747 -4.792 536 HZ1 LYS 58 HZ1 LYS 58 15.843 -9.898 -4.211 537 HZ2 LYS 58 HZ2 LYS 58 14.164 -9.924 -4.405 538 HZ3 LYS 58 HZ3 LYS 58 14.833 -9.796 -2.857 539 H SER 59 HN SER 59 17.943 -4.221 -2.033 540 HA SER 59 HA SER 59 19.227 -1.656 -2.528 541 HG SER 59 HG SER 59 17.306 -3.190 0.063 542 HB2 SER 59 HB2 SER 59 18.920 -0.873 -0.232 543 HB3 SER 59 HB1 SER 59 17.355 -1.126 -1.004 Start of MODEL 11 1 HA MET -1 HA MET -1 6.268 -18.207 15.251 2 H1 MET -1 HT1 MET -1 8.399 -16.594 14.124 3 H2 MET -1 HT2 MET -1 7.242 -17.279 13.058 4 H3 MET -1 HT3 MET -1 8.154 -18.290 14.101 5 HB2 MET -1 HB2 MET -1 8.153 -17.251 16.563 6 HB3 MET -1 HB1 MET -1 7.632 -15.640 16.088 7 HG2 MET -1 HG2 MET -1 5.410 -17.032 17.198 8 HG3 MET -1 HG1 MET -1 6.784 -17.185 18.290 9 HE1 MET -1 HE1 MET -1 4.169 -13.703 17.328 10 HE2 MET -1 HE2 MET -1 3.731 -14.898 18.550 11 HE3 MET -1 HE3 MET -1 4.063 -15.410 16.895 12 H ASP 0 HN ASP 0 6.813 -15.080 13.688 13 HA ASP 0 HA ASP 0 4.310 -13.935 14.204 14 HB2 ASP 0 HB2 ASP 0 6.391 -12.817 13.227 15 HB3 ASP 0 HB1 ASP 0 5.888 -13.478 11.674 16 H GLU 1 HN GLU 1 2.335 -14.213 13.363 17 HA GLU 1 HA GLU 1 1.990 -16.311 11.366 18 HB2 GLU 1 HB2 GLU 1 -0.019 -14.867 13.104 19 HB3 GLU 1 HB1 GLU 1 -0.416 -16.158 11.979 20 HG2 GLU 1 HG2 GLU 1 1.242 -17.579 13.292 21 HG3 GLU 1 HG1 GLU 1 1.169 -16.314 14.517 22 H LYS 2 HN LYS 2 3.099 -14.088 10.248 23 HA LYS 2 HA LYS 2 2.883 -12.618 8.527 24 HB2 LYS 2 HB2 LYS 2 1.363 -14.772 7.857 25 HB3 LYS 2 HB1 LYS 2 0.164 -13.489 7.779 26 HG2 LYS 2 HG2 LYS 2 1.978 -12.268 6.356 27 HG3 LYS 2 HG1 LYS 2 2.611 -13.899 6.129 28 HD2 LYS 2 HD2 LYS 2 1.165 -13.577 4.315 29 HD3 LYS 2 HD1 LYS 2 0.224 -14.535 5.461 30 HE2 LYS 2 HE2 LYS 2 -0.462 -12.086 6.282 31 HE3 LYS 2 HE1 LYS 2 -0.115 -11.723 4.593 32 HZ1 LYS 2 HZ1 LYS 2 -2.336 -13.131 5.738 33 HZ2 LYS 2 HZ2 LYS 2 -1.618 -13.983 4.466 34 HZ3 LYS 2 HZ3 LYS 2 -2.184 -12.409 4.215 35 H ARG 3 HN ARG 3 1.199 -10.974 7.510 36 HA ARG 3 HA ARG 3 -0.013 -9.079 7.817 37 HE ARG 3 HE ARG 3 -4.839 -11.999 7.741 38 HB2 ARG 3 HB2 ARG 3 -1.285 -10.653 10.066 39 HB3 ARG 3 HB1 ARG 3 -1.919 -9.167 9.369 40 HG2 ARG 3 HG2 ARG 3 -1.593 -10.806 7.179 41 HG3 ARG 3 HG1 ARG 3 -2.147 -11.908 8.441 42 HD2 ARG 3 HD2 ARG 3 -3.964 -10.192 8.914 43 HD3 ARG 3 HD1 ARG 3 -3.499 -9.436 7.392 44 HH11 ARG 3 HH11 ARG 3 -3.309 -9.738 5.558 45 HH12 ARG 3 HH12 ARG 3 -4.048 -10.415 4.147 46 HH21 ARG 3 HH21 ARG 3 -5.803 -12.887 5.884 47 HH22 ARG 3 HH22 ARG 3 -5.462 -12.200 4.330 48 HA PRO 4 HA PRO 4 3.080 -7.869 11.125 49 HB2 PRO 4 HB2 PRO 4 3.143 -5.569 9.230 50 HB3 PRO 4 HB1 PRO 4 4.477 -6.395 10.043 51 HG2 PRO 4 HG2 PRO 4 3.999 -6.814 7.459 52 HG3 PRO 4 HG1 PRO 4 4.498 -8.144 8.520 53 HD2 PRO 4 HD2 PRO 4 1.796 -7.503 7.423 54 HD3 PRO 4 HD1 PRO 4 2.552 -9.084 7.714 55 H ARG 5 HN ARG 5 0.325 -6.359 9.602 56 HA ARG 5 HA ARG 5 -0.501 -5.224 12.118 57 HE ARG 5 HE ARG 5 -1.572 -0.208 10.978 58 HB2 ARG 5 HB2 ARG 5 1.051 -3.510 11.086 59 HB3 ARG 5 HB1 ARG 5 -0.125 -3.341 9.789 60 HG2 ARG 5 HG2 ARG 5 -1.700 -2.353 11.165 61 HG3 ARG 5 HG1 ARG 5 -0.967 -2.999 12.634 62 HD2 ARG 5 HD2 ARG 5 0.392 -1.242 12.847 63 HD3 ARG 5 HD1 ARG 5 0.844 -1.281 11.144 64 HH11 ARG 5 HH11 ARG 5 1.035 0.513 13.190 65 HH12 ARG 5 HH12 ARG 5 0.570 2.167 13.389 66 HH21 ARG 5 HH21 ARG 5 -2.177 1.969 11.239 67 HH22 ARG 5 HH22 ARG 5 -1.250 2.995 12.283 68 H THR 6 HN THR 6 -2.688 -4.911 12.232 69 HA THR 6 HA THR 6 -4.858 -5.426 11.732 70 HB THR 6 HB THR 6 -4.521 -3.174 10.711 71 HG1 THR 6 HG1 THR 6 -6.482 -3.213 9.840 72 HG21 THR 6 HG21 THR 6 -4.014 -4.787 8.237 73 HG22 THR 6 HG22 THR 6 -3.056 -3.471 8.913 74 HG23 THR 6 HG23 THR 6 -4.622 -3.133 8.179 75 H ALA 7 HN ALA 7 -6.228 -5.935 9.403 76 HA ALA 7 HA ALA 7 -4.873 -8.187 8.117 77 HB1 ALA 7 HB1 ALA 7 -5.917 -9.535 9.613 78 HB2 ALA 7 HB2 ALA 7 -7.246 -9.357 8.466 79 HB3 ALA 7 HB3 ALA 7 -7.206 -8.373 9.929 80 H PHE 8 HN PHE 8 -4.884 -7.280 6.117 81 HA PHE 8 HA PHE 8 -7.088 -5.851 5.031 82 HD1 PHE 8 HD2 PHE 8 -3.207 -6.418 5.447 83 HD2 PHE 8 HD1 PHE 8 -5.621 -3.636 3.316 84 HE1 PHE 8 HE2 PHE 8 -1.797 -4.575 6.265 85 HE2 PHE 8 HE1 PHE 8 -4.216 -1.787 4.129 86 HZ PHE 8 HZ PHE 8 -2.301 -2.256 5.606 87 HB2 PHE 8 HB2 PHE 8 -4.727 -7.122 3.630 88 HB3 PHE 8 HB1 PHE 8 -5.836 -5.961 2.910 89 H SER 9 HN SER 9 -8.309 -6.484 3.110 90 HA SER 9 HA SER 9 -8.961 -9.355 3.163 91 HG SER 9 HG SER 9 -11.880 -6.855 1.915 92 HB2 SER 9 HB2 SER 9 -11.198 -8.850 2.806 93 HB3 SER 9 HB1 SER 9 -10.693 -7.478 3.791 94 H SER 10 HN SER 10 -9.712 -10.291 1.108 95 HA SER 10 HA SER 10 -7.878 -10.005 -0.945 96 HG SER 10 HG SER 10 -9.662 -10.776 -3.201 97 HB2 SER 10 HB2 SER 10 -9.354 -11.974 -0.648 98 HB3 SER 10 HB1 SER 10 -10.722 -11.011 -1.204 99 H GLU 11 HN GLU 11 -11.087 -8.544 -0.611 100 HA GLU 11 HA GLU 11 -11.105 -7.274 -3.140 101 HB2 GLU 11 HB2 GLU 11 -13.136 -7.698 -1.783 102 HB3 GLU 11 HB1 GLU 11 -12.595 -6.484 -0.631 103 HG2 GLU 11 HG2 GLU 11 -13.250 -4.776 -1.927 104 HG3 GLU 11 HG1 GLU 11 -12.732 -5.568 -3.414 105 H GLN 12 HN GLN 12 -10.090 -6.211 0.082 106 HA GLN 12 HA GLN 12 -9.591 -3.518 -0.635 107 HB2 GLN 12 HB2 GLN 12 -8.406 -5.183 1.595 108 HB3 GLN 12 HB1 GLN 12 -8.262 -3.435 1.456 109 HG2 GLN 12 HG2 GLN 12 -10.610 -3.147 1.763 110 HG3 GLN 12 HG1 GLN 12 -10.888 -4.884 1.665 111 HE21 GLN 12 HE21 GLN 12 -11.566 -3.005 3.784 112 HE22 GLN 12 HE22 GLN 12 -10.792 -3.591 5.213 113 H LEU 13 HN LEU 13 -7.378 -6.281 -0.212 114 HA LEU 13 HA LEU 13 -5.063 -4.932 -1.082 115 HG LEU 13 HG LEU 13 -5.308 -7.285 1.209 116 HB2 LEU 13 HB2 LEU 13 -5.818 -7.843 -0.984 117 HB3 LEU 13 HB1 LEU 13 -4.261 -7.317 -1.589 118 HD11 LEU 13 HD11 LEU 13 -3.873 -9.110 0.324 119 HD12 LEU 13 HD12 LEU 13 -3.176 -8.258 1.704 120 HD13 LEU 13 HD13 LEU 13 -2.593 -7.921 0.073 121 HD21 LEU 13 HD21 LEU 13 -3.176 -5.854 1.665 122 HD22 LEU 13 HD22 LEU 13 -4.688 -5.063 1.220 123 HD23 LEU 13 HD23 LEU 13 -3.426 -5.298 0.010 124 H ALA 14 HN ALA 14 -7.625 -6.597 -2.770 125 HA ALA 14 HA ALA 14 -6.386 -6.883 -5.277 126 HB1 ALA 14 HB1 ALA 14 -9.297 -6.580 -4.550 127 HB2 ALA 14 HB2 ALA 14 -8.406 -8.082 -4.803 128 HB3 ALA 14 HB3 ALA 14 -8.715 -7.000 -6.161 129 H ARG 15 HN ARG 15 -8.430 -4.289 -3.959 130 HA ARG 15 HA ARG 15 -8.404 -2.666 -6.266 131 HE ARG 15 HE ARG 15 -11.760 -1.084 -5.725 132 HB2 ARG 15 HB2 ARG 15 -9.964 -2.433 -4.305 133 HB3 ARG 15 HB1 ARG 15 -8.633 -1.725 -3.402 134 HG2 ARG 15 HG2 ARG 15 -8.583 0.186 -4.743 135 HG3 ARG 15 HG1 ARG 15 -9.529 -0.579 -6.021 136 HD2 ARG 15 HD2 ARG 15 -10.648 -0.119 -3.273 137 HD3 ARG 15 HD1 ARG 15 -10.714 1.122 -4.523 138 HH11 ARG 15 HH11 ARG 15 -12.482 0.663 -2.791 139 HH12 ARG 15 HH12 ARG 15 -14.168 0.268 -2.823 140 HH21 ARG 15 HH21 ARG 15 -13.978 -1.604 -5.768 141 HH22 ARG 15 HH22 ARG 15 -15.016 -1.020 -4.512 142 H LEU 16 HN LEU 16 -6.440 -2.557 -3.307 143 HA LEU 16 HA LEU 16 -4.784 -0.424 -4.075 144 HG LEU 16 HG LEU 16 -5.938 -0.591 -1.774 145 HB2 LEU 16 HB2 LEU 16 -4.314 -2.741 -2.202 146 HB3 LEU 16 HB1 LEU 16 -3.181 -1.418 -2.392 147 HD11 LEU 16 HD11 LEU 16 -6.182 -2.222 -0.219 148 HD12 LEU 16 HD12 LEU 16 -5.211 -1.102 0.737 149 HD13 LEU 16 HD13 LEU 16 -4.445 -2.479 -0.053 150 HD21 LEU 16 HD21 LEU 16 -3.482 0.147 -0.251 151 HD22 LEU 16 HD22 LEU 16 -4.892 1.126 -0.655 152 HD23 LEU 16 HD23 LEU 16 -3.696 0.747 -1.895 153 H LYS 17 HN LYS 17 -4.657 -3.859 -4.725 154 HA LYS 17 HA LYS 17 -2.032 -4.022 -5.716 155 HB2 LYS 17 HB2 LYS 17 -4.454 -5.685 -5.770 156 HB3 LYS 17 HB1 LYS 17 -3.398 -5.916 -7.156 157 HG2 LYS 17 HG2 LYS 17 -1.905 -5.870 -4.681 158 HG3 LYS 17 HG1 LYS 17 -3.164 -7.106 -4.667 159 HD2 LYS 17 HD2 LYS 17 -2.245 -7.671 -7.042 160 HD3 LYS 17 HD1 LYS 17 -0.806 -6.818 -6.484 161 HE2 LYS 17 HE2 LYS 17 -1.569 -8.564 -4.407 162 HE3 LYS 17 HE1 LYS 17 -1.669 -9.487 -5.906 163 HZ1 LYS 17 HZ1 LYS 17 0.693 -7.989 -4.909 164 HZ2 LYS 17 HZ2 LYS 17 0.610 -8.758 -6.414 165 HZ3 LYS 17 HZ3 LYS 17 0.526 -9.671 -4.992 166 H ARG 18 HN ARG 18 -5.128 -3.444 -7.344 167 HA ARG 18 HA ARG 18 -4.111 -3.273 -9.959 168 HE ARG 18 HE ARG 18 -8.175 -5.192 -11.784 169 HB2 ARG 18 HB2 ARG 18 -6.554 -1.950 -8.763 170 HB3 ARG 18 HB1 ARG 18 -6.221 -2.089 -10.484 171 HG2 ARG 18 HG2 ARG 18 -6.476 -4.471 -8.667 172 HG3 ARG 18 HG1 ARG 18 -7.840 -3.762 -9.536 173 HD2 ARG 18 HD2 ARG 18 -6.158 -4.016 -11.579 174 HD3 ARG 18 HD1 ARG 18 -5.520 -5.304 -10.561 175 HH11 ARG 18 HH11 ARG 18 -5.873 -6.922 -9.799 176 HH12 ARG 18 HH12 ARG 18 -6.715 -8.428 -9.925 177 HH21 ARG 18 HH21 ARG 18 -9.277 -7.172 -11.941 178 HH22 ARG 18 HH22 ARG 18 -8.644 -8.571 -11.138 179 H GLU 19 HN GLU 19 -4.637 -0.811 -7.467 180 HA GLU 19 HA GLU 19 -3.949 1.420 -9.041 181 HB2 GLU 19 HB2 GLU 19 -5.109 1.524 -6.836 182 HB3 GLU 19 HB1 GLU 19 -3.591 1.100 -6.057 183 HG2 GLU 19 HG2 GLU 19 -3.635 3.388 -5.835 184 HG3 GLU 19 HG1 GLU 19 -2.656 3.173 -7.286 185 H PHE 20 HN PHE 20 -2.001 -0.613 -6.875 186 HA PHE 20 HA PHE 20 0.413 0.798 -7.176 187 HD1 PHE 20 HD1 PHE 20 2.263 -2.411 -7.875 188 HD2 PHE 20 HD2 PHE 20 1.871 -0.086 -4.333 189 HE1 PHE 20 HE1 PHE 20 4.696 -2.527 -7.535 190 HE2 PHE 20 HE2 PHE 20 4.305 -0.195 -3.987 191 HZ PHE 20 HZ PHE 20 5.721 -1.417 -5.590 192 HB2 PHE 20 HB2 PHE 20 -0.038 -0.889 -5.399 193 HB3 PHE 20 HB1 PHE 20 0.072 -2.155 -6.616 194 H ASN 21 HN ASN 21 -1.037 -1.821 -9.036 195 HA ASN 21 HA ASN 21 1.188 -2.430 -10.644 196 HB2 ASN 21 HB2 ASN 21 -1.408 -3.372 -10.398 197 HB3 ASN 21 HB1 ASN 21 -1.374 -2.694 -12.023 198 HD21 ASN 21 HD21 ASN 21 -0.588 -5.326 -10.087 199 HD22 ASN 21 HD22 ASN 21 0.360 -6.208 -11.230 200 H GLU 22 HN GLU 22 -1.244 0.073 -10.841 201 HA GLU 22 HA GLU 22 -0.444 0.917 -13.488 202 HB2 GLU 22 HB2 GLU 22 -2.289 2.191 -11.461 203 HB3 GLU 22 HB1 GLU 22 -2.049 2.772 -13.103 204 HG2 GLU 22 HG2 GLU 22 -3.265 0.157 -12.256 205 HG3 GLU 22 HG1 GLU 22 -4.078 1.520 -13.023 206 H ASN 23 HN ASN 23 0.144 1.809 -10.165 207 HA ASN 23 HA ASN 23 2.434 3.377 -10.942 208 HB2 ASN 23 HB2 ASN 23 0.040 4.746 -10.665 209 HB3 ASN 23 HB1 ASN 23 0.817 4.964 -9.099 210 HD21 ASN 23 HD21 ASN 23 2.831 6.007 -9.001 211 HD22 ASN 23 HD22 ASN 23 3.373 7.034 -10.279 212 H ARG 24 HN ARG 24 3.915 2.509 -9.665 213 HA ARG 24 HA ARG 24 3.309 1.333 -7.136 214 HE ARG 24 HE ARG 24 6.451 -2.612 -9.071 215 HB2 ARG 24 HB2 ARG 24 6.052 1.965 -8.217 216 HB3 ARG 24 HB1 ARG 24 5.615 0.727 -7.045 217 HG2 ARG 24 HG2 ARG 24 4.351 -0.454 -8.790 218 HG3 ARG 24 HG1 ARG 24 4.850 0.771 -9.957 219 HD2 ARG 24 HD2 ARG 24 6.957 -0.041 -10.110 220 HD3 ARG 24 HD1 ARG 24 7.012 -0.511 -8.411 221 HH11 ARG 24 HH11 ARG 24 5.276 -0.386 -11.488 222 HH12 ARG 24 HH12 ARG 24 4.656 -1.634 -12.514 223 HH21 ARG 24 HH21 ARG 24 5.637 -4.254 -10.419 224 HH22 ARG 24 HH22 ARG 24 4.861 -3.831 -11.909 225 H TYR 25 HN TYR 25 3.378 4.474 -7.849 226 HA TYR 25 HA TYR 25 4.538 5.221 -5.251 227 HD1 TYR 25 HD2 TYR 25 5.878 5.075 -8.966 228 HD2 TYR 25 HD1 TYR 25 7.190 6.882 -5.345 229 HE1 TYR 25 HE2 TYR 25 8.154 4.238 -9.379 230 HE2 TYR 25 HE1 TYR 25 9.469 6.052 -5.748 231 HH TYR 25 HH TYR 25 10.726 5.292 -8.297 232 HB2 TYR 25 HB2 TYR 25 4.539 6.807 -7.830 233 HB3 TYR 25 HB1 TYR 25 5.050 7.443 -6.270 234 H LEU 26 HN LEU 26 3.188 6.223 -3.888 235 HA LEU 26 HA LEU 26 0.499 6.824 -4.836 236 HG LEU 26 HG LEU 26 0.490 4.411 -3.103 237 HB2 LEU 26 HB2 LEU 26 1.734 6.228 -2.208 238 HB3 LEU 26 HB1 LEU 26 0.334 7.279 -2.200 239 HD11 LEU 26 HD11 LEU 26 -1.120 4.039 -1.384 240 HD12 LEU 26 HD12 LEU 26 -1.343 5.772 -1.135 241 HD13 LEU 26 HD13 LEU 26 0.179 5.002 -0.680 242 HD21 LEU 26 HD21 LEU 26 -1.889 4.614 -3.707 243 HD22 LEU 26 HD22 LEU 26 -0.845 5.567 -4.760 244 HD23 LEU 26 HD23 LEU 26 -1.778 6.361 -3.489 245 H THR 27 HN THR 27 -0.531 8.670 -3.441 246 HA THR 27 HA THR 27 1.188 11.002 -3.199 247 HB THR 27 HB THR 27 -0.095 12.380 -4.679 248 HG1 THR 27 HG1 THR 27 -1.898 11.521 -5.799 249 HG21 THR 27 HG21 THR 27 0.476 9.753 -6.023 250 HG22 THR 27 HG22 THR 27 1.537 11.158 -5.920 251 HG23 THR 27 HG23 THR 27 0.055 11.240 -6.872 252 H GLU 28 HN GLU 28 -0.114 12.872 -2.267 253 HA GLU 28 HA GLU 28 -1.422 12.063 0.056 254 HB2 GLU 28 HB2 GLU 28 -1.285 14.668 -1.429 255 HB3 GLU 28 HB1 GLU 28 -2.337 14.512 -0.028 256 HG2 GLU 28 HG2 GLU 28 -0.633 14.774 1.356 257 HG3 GLU 28 HG1 GLU 28 0.264 13.470 0.580 258 H ARG 29 HN ARG 29 -2.795 13.320 -2.968 259 HA ARG 29 HA ARG 29 -5.490 13.132 -2.245 260 HE ARG 29 HE ARG 29 -6.464 15.444 -7.039 261 HB2 ARG 29 HB2 ARG 29 -4.153 14.075 -4.412 262 HB3 ARG 29 HB1 ARG 29 -4.856 12.607 -5.077 263 HG2 ARG 29 HG2 ARG 29 -6.957 13.747 -3.710 264 HG3 ARG 29 HG1 ARG 29 -6.111 15.135 -4.398 265 HD2 ARG 29 HD2 ARG 29 -6.824 12.714 -6.030 266 HD3 ARG 29 HD1 ARG 29 -7.935 14.063 -5.815 267 HH11 ARG 29 HH11 ARG 29 -5.380 12.119 -6.903 268 HH12 ARG 29 HH12 ARG 29 -4.293 12.296 -8.237 269 HH21 ARG 29 HH21 ARG 29 -5.034 15.664 -8.788 270 HH22 ARG 29 HH22 ARG 29 -4.095 14.302 -9.305 271 H ARG 30 HN ARG 30 -3.339 10.752 -3.777 272 HA ARG 30 HA ARG 30 -5.361 8.829 -4.266 273 HE ARG 30 HE ARG 30 -2.807 6.354 -8.173 274 HB2 ARG 30 HB2 ARG 30 -2.367 8.740 -4.146 275 HB3 ARG 30 HB1 ARG 30 -3.290 7.250 -4.280 276 HG2 ARG 30 HG2 ARG 30 -4.346 8.124 -6.330 277 HG3 ARG 30 HG1 ARG 30 -3.327 9.559 -6.210 278 HD2 ARG 30 HD2 ARG 30 -1.437 8.438 -6.819 279 HD3 ARG 30 HD1 ARG 30 -1.988 6.914 -6.125 280 HH11 ARG 30 HH11 ARG 30 -2.502 9.827 -8.039 281 HH12 ARG 30 HH12 ARG 30 -2.945 10.055 -9.697 282 HH21 ARG 30 HH21 ARG 30 -3.388 6.651 -10.355 283 HH22 ARG 30 HH22 ARG 30 -3.448 8.252 -11.013 284 H ARG 31 HN ARG 31 -3.081 9.307 -1.602 285 HA ARG 31 HA ARG 31 -3.729 6.966 -0.184 286 HE ARG 31 HE ARG 31 0.078 9.811 1.139 287 HB2 ARG 31 HB2 ARG 31 -2.004 9.166 0.156 288 HB3 ARG 31 HB1 ARG 31 -3.024 9.137 1.588 289 HG2 ARG 31 HG2 ARG 31 -2.037 7.304 2.401 290 HG3 ARG 31 HG1 ARG 31 -1.987 6.514 0.824 291 HD2 ARG 31 HD2 ARG 31 0.256 7.003 1.802 292 HD3 ARG 31 HD1 ARG 31 -0.013 7.707 0.209 293 HH11 ARG 31 HH11 ARG 31 -0.065 7.419 3.679 294 HH12 ARG 31 HH12 ARG 31 0.323 8.548 4.932 295 HH21 ARG 31 HH21 ARG 31 0.585 11.294 2.789 296 HH22 ARG 31 HH22 ARG 31 0.691 10.747 4.429 297 H GLN 32 HN GLN 32 -4.930 10.293 0.071 298 HA GLN 32 HA GLN 32 -6.765 9.785 2.167 299 HB2 GLN 32 HB2 GLN 32 -5.823 12.038 1.340 300 HB3 GLN 32 HB1 GLN 32 -7.093 11.969 0.126 301 HG2 GLN 32 HG2 GLN 32 -8.680 11.625 2.123 302 HG3 GLN 32 HG1 GLN 32 -7.337 12.225 3.094 303 HE21 GLN 32 HE21 GLN 32 -8.838 13.080 -0.011 304 HE22 GLN 32 HE22 GLN 32 -8.989 14.766 0.332 305 H GLN 33 HN GLN 33 -7.041 9.759 -1.353 306 HA GLN 33 HA GLN 33 -9.854 9.456 -1.454 307 HB2 GLN 33 HB2 GLN 33 -7.601 9.107 -3.369 308 HB3 GLN 33 HB1 GLN 33 -9.133 8.347 -3.772 309 HG2 GLN 33 HG2 GLN 33 -10.181 10.632 -3.354 310 HG3 GLN 33 HG1 GLN 33 -8.534 11.258 -3.400 311 HE21 GLN 33 HE21 GLN 33 -10.351 8.853 -5.279 312 HE22 GLN 33 HE22 GLN 33 -9.983 9.532 -6.824 313 H LEU 34 HN LEU 34 -7.198 7.097 -1.669 314 HA LEU 34 HA LEU 34 -8.869 4.829 -1.890 315 HG LEU 34 HG LEU 34 -7.415 3.379 -3.159 316 HB2 LEU 34 HB2 LEU 34 -6.001 5.331 -1.339 317 HB3 LEU 34 HB1 LEU 34 -6.634 3.777 -0.833 318 HD11 LEU 34 HD11 LEU 34 -7.511 5.843 -3.715 319 HD12 LEU 34 HD12 LEU 34 -6.803 4.795 -4.944 320 HD13 LEU 34 HD13 LEU 34 -5.760 5.772 -3.912 321 HD21 LEU 34 HD21 LEU 34 -5.313 2.713 -3.981 322 HD22 LEU 34 HD22 LEU 34 -5.164 2.659 -2.225 323 HD23 LEU 34 HD23 LEU 34 -4.477 4.010 -3.127 324 H SER 35 HN SER 35 -7.453 6.509 0.868 325 HA SER 35 HA SER 35 -8.067 4.623 2.850 326 HG SER 35 HG SER 35 -7.571 8.596 3.557 327 HB2 SER 35 HB2 SER 35 -7.982 6.614 4.408 328 HB3 SER 35 HB1 SER 35 -6.563 6.414 3.380 329 H SER 36 HN SER 36 -9.896 7.420 1.675 330 HA SER 36 HA SER 36 -12.121 7.008 3.392 331 HG SER 36 HG SER 36 -10.462 9.157 2.476 332 HB2 SER 36 HB2 SER 36 -12.024 8.546 0.789 333 HB3 SER 36 HB1 SER 36 -13.230 8.715 2.065 334 H GLU 37 HN GLU 37 -11.713 6.441 -0.103 335 HA GLU 37 HA GLU 37 -14.228 5.267 -0.505 336 HB2 GLU 37 HB2 GLU 37 -12.080 6.006 -2.097 337 HB3 GLU 37 HB1 GLU 37 -12.193 4.266 -2.323 338 HG2 GLU 37 HG2 GLU 37 -13.528 5.183 -4.002 339 HG3 GLU 37 HG1 GLU 37 -14.665 4.641 -2.769 340 H LEU 38 HN LEU 38 -11.079 3.761 0.180 341 HA LEU 38 HA LEU 38 -12.245 1.114 0.053 342 HG LEU 38 HG LEU 38 -10.854 -0.145 -1.049 343 HB2 LEU 38 HB2 LEU 38 -9.693 2.130 -0.294 344 HB3 LEU 38 HB1 LEU 38 -9.590 1.279 1.235 345 HD11 LEU 38 HD11 LEU 38 -7.977 0.639 -0.898 346 HD12 LEU 38 HD12 LEU 38 -9.052 0.570 -2.296 347 HD13 LEU 38 HD13 LEU 38 -8.433 -0.921 -1.585 348 HD21 LEU 38 HD21 LEU 38 -10.159 -0.810 1.517 349 HD22 LEU 38 HD22 LEU 38 -8.812 -1.453 0.576 350 HD23 LEU 38 HD23 LEU 38 -10.464 -1.950 0.207 351 H GLY 39 HN GLY 39 -11.066 3.328 2.542 352 HA2 GLY 39 HA2 GLY 39 -12.052 3.410 4.708 353 HA3 GLY 39 HA1 GLY 39 -12.526 1.729 4.524 354 H LEU 40 HN LEU 40 -9.372 3.316 4.110 355 HA LEU 40 HA LEU 40 -8.350 1.711 6.351 356 HG LEU 40 HG LEU 40 -8.729 -0.019 4.410 357 HB2 LEU 40 HB2 LEU 40 -7.168 1.982 3.595 358 HB3 LEU 40 HB1 LEU 40 -6.217 1.470 4.976 359 HD11 LEU 40 HD11 LEU 40 -6.602 0.297 2.477 360 HD12 LEU 40 HD12 LEU 40 -8.159 -0.513 2.319 361 HD13 LEU 40 HD13 LEU 40 -6.777 -1.383 2.983 362 HD21 LEU 40 HD21 LEU 40 -6.832 -1.839 4.937 363 HD22 LEU 40 HD22 LEU 40 -7.744 -1.001 6.192 364 HD23 LEU 40 HD23 LEU 40 -6.132 -0.439 5.750 365 H ASN 41 HN ASN 41 -6.305 2.527 7.238 366 HA ASN 41 HA ASN 41 -6.391 5.386 7.494 367 HB2 ASN 41 HB2 ASN 41 -5.686 3.431 9.205 368 HB3 ASN 41 HB1 ASN 41 -4.091 3.877 8.606 369 HD21 ASN 41 HD21 ASN 41 -3.268 4.922 10.311 370 HD22 ASN 41 HD22 ASN 41 -3.956 6.335 11.027 371 H GLU 42 HN GLU 42 -4.932 6.888 6.768 372 HA GLU 42 HA GLU 42 -3.680 6.543 4.339 373 HB2 GLU 42 HB2 GLU 42 -3.205 8.511 6.564 374 HB3 GLU 42 HB1 GLU 42 -2.280 8.580 5.070 375 HG2 GLU 42 HG2 GLU 42 -4.546 8.636 3.888 376 HG3 GLU 42 HG1 GLU 42 -5.216 9.004 5.476 377 H ALA 43 HN ALA 43 -2.293 6.217 7.577 378 HA ALA 43 HA ALA 43 0.377 5.798 6.769 379 HB1 ALA 43 HB1 ALA 43 0.705 4.884 9.026 380 HB2 ALA 43 HB2 ALA 43 -1.043 4.877 9.264 381 HB3 ALA 43 HB3 ALA 43 -0.187 6.404 9.050 382 H GLN 44 HN GLN 44 -2.373 3.656 7.091 383 HA GLN 44 HA GLN 44 -0.919 1.219 6.951 384 HB2 GLN 44 HB2 GLN 44 -3.540 1.919 7.447 385 HB3 GLN 44 HB1 GLN 44 -3.643 1.136 5.876 386 HG2 GLN 44 HG2 GLN 44 -3.429 -0.871 6.781 387 HG3 GLN 44 HG1 GLN 44 -1.980 -0.387 7.661 388 HE21 GLN 44 HE21 GLN 44 -2.839 1.457 9.391 389 HE22 GLN 44 HE22 GLN 44 -4.006 0.795 10.478 390 H ILE 45 HN ILE 45 -2.583 3.199 4.525 391 HA ILE 45 HA ILE 45 -2.102 1.465 2.345 392 HB ILE 45 HB ILE 45 -2.417 4.464 2.194 393 HG12 ILE 45 HG12 ILE 45 -4.767 2.717 1.775 394 HG13 ILE 45 HG11 ILE 45 -4.205 2.847 3.439 395 HG21 ILE 45 HG21 ILE 45 -2.763 4.230 -0.026 396 HG22 ILE 45 HG22 ILE 45 -3.536 2.654 0.149 397 HG23 ILE 45 HG23 ILE 45 -1.779 2.784 0.206 398 HD11 ILE 45 HD11 ILE 45 -5.588 4.613 3.468 399 HD12 ILE 45 HD12 ILE 45 -5.517 4.835 1.720 400 HD13 ILE 45 HD13 ILE 45 -4.212 5.442 2.739 401 H LYS 46 HN LYS 46 -0.347 4.249 3.645 402 HA LYS 46 HA LYS 46 1.633 4.441 1.684 403 HB2 LYS 46 HB2 LYS 46 1.033 5.799 3.980 404 HB3 LYS 46 HB1 LYS 46 2.525 4.988 4.435 405 HG2 LYS 46 HG2 LYS 46 3.015 6.030 1.896 406 HG3 LYS 46 HG1 LYS 46 2.123 7.289 2.751 407 HD2 LYS 46 HD2 LYS 46 4.351 5.918 4.171 408 HD3 LYS 46 HD1 LYS 46 4.752 7.100 2.924 409 HE2 LYS 46 HE2 LYS 46 3.705 8.843 4.077 410 HE3 LYS 46 HE1 LYS 46 2.788 7.737 5.098 411 HZ1 LYS 46 HZ1 LYS 46 5.099 8.980 5.788 412 HZ2 LYS 46 HZ2 LYS 46 5.626 7.426 5.377 413 HZ3 LYS 46 HZ3 LYS 46 4.440 7.629 6.565 414 H ILE 47 HN ILE 47 1.583 2.560 4.708 415 HA ILE 47 HA ILE 47 4.191 1.494 4.401 416 HB ILE 47 HB ILE 47 1.841 0.413 5.965 417 HG12 ILE 47 HG12 ILE 47 4.262 1.883 7.006 418 HG13 ILE 47 HG11 ILE 47 2.785 2.718 6.534 419 HG21 ILE 47 HG21 ILE 47 4.714 -0.436 5.831 420 HG22 ILE 47 HG22 ILE 47 3.258 -1.425 5.736 421 HG23 ILE 47 HG23 ILE 47 3.742 -0.715 7.276 422 HD11 ILE 47 HD11 ILE 47 1.742 0.897 8.186 423 HD12 ILE 47 HD12 ILE 47 2.329 2.471 8.726 424 HD13 ILE 47 HD13 ILE 47 3.351 1.044 8.892 425 H TRP 48 HN TRP 48 0.992 0.375 3.420 426 HA TRP 48 HA TRP 48 1.737 -2.197 2.567 427 HD1 TRP 48 HD1 TRP 48 -0.825 -4.097 2.544 428 HE1 TRP 48 HE1 TRP 48 -1.443 -5.506 0.481 429 HE3 TRP 48 HE3 TRP 48 -0.247 -0.530 -1.082 430 HZ2 TRP 48 HZ2 TRP 48 -1.658 -5.156 -2.310 431 HZ3 TRP 48 HZ3 TRP 48 -0.677 -1.155 -3.421 432 HH2 TRP 48 HH2 TRP 48 -1.367 -3.418 -4.020 433 HB2 TRP 48 HB2 TRP 48 -0.608 -1.468 2.914 434 HB3 TRP 48 HB1 TRP 48 -0.483 -0.449 1.483 435 H PHE 49 HN PHE 49 1.537 0.884 0.824 436 HA PHE 49 HA PHE 49 2.239 -0.130 -1.710 437 HD1 PHE 49 HD2 PHE 49 -0.412 1.735 -1.144 438 HD2 PHE 49 HD1 PHE 49 2.690 2.433 -3.973 439 HE1 PHE 49 HE2 PHE 49 -2.088 1.889 -2.938 440 HE2 PHE 49 HE1 PHE 49 1.018 2.590 -5.770 441 HZ PHE 49 HZ PHE 49 -1.374 2.317 -5.255 442 HB2 PHE 49 HB2 PHE 49 1.879 2.489 -0.476 443 HB3 PHE 49 HB1 PHE 49 3.168 2.486 -1.675 444 H GLN 50 HN GLN 50 4.195 1.407 0.831 445 HA GLN 50 HA GLN 50 6.660 1.262 -0.507 446 HB2 GLN 50 HB2 GLN 50 6.022 1.287 2.446 447 HB3 GLN 50 HB1 GLN 50 7.647 1.443 1.796 448 HG2 GLN 50 HG2 GLN 50 6.991 3.484 0.632 449 HG3 GLN 50 HG1 GLN 50 5.358 3.327 1.277 450 HE21 GLN 50 HE21 GLN 50 5.739 2.667 3.848 451 HE22 GLN 50 HE22 GLN 50 6.590 3.915 4.685 452 H ASN 51 HN ASN 51 5.017 -1.005 1.647 453 HA ASN 51 HA ASN 51 7.143 -2.869 1.811 454 HB2 ASN 51 HB2 ASN 51 4.214 -2.935 2.421 455 HB3 ASN 51 HB1 ASN 51 5.113 -4.448 2.381 456 HD21 ASN 51 HD21 ASN 51 7.454 -3.920 3.483 457 HD22 ASN 51 HD22 ASN 51 7.282 -3.343 5.102 458 H LYS 52 HN LYS 52 4.430 -2.474 -0.392 459 HA LYS 52 HA LYS 52 4.692 -4.952 -1.724 460 HB2 LYS 52 HB2 LYS 52 2.867 -2.940 -1.785 461 HB3 LYS 52 HB1 LYS 52 3.705 -2.664 -3.307 462 HG2 LYS 52 HG2 LYS 52 2.941 -5.454 -2.773 463 HG3 LYS 52 HG1 LYS 52 1.607 -4.325 -3.012 464 HD2 LYS 52 HD2 LYS 52 2.819 -3.556 -5.103 465 HD3 LYS 52 HD1 LYS 52 3.865 -4.962 -4.896 466 HE2 LYS 52 HE2 LYS 52 1.980 -5.349 -6.464 467 HE3 LYS 52 HE1 LYS 52 1.994 -6.454 -5.091 468 HZ1 LYS 52 HZ1 LYS 52 -0.137 -5.011 -5.909 469 HZ2 LYS 52 HZ2 LYS 52 0.455 -4.065 -4.637 470 HZ3 LYS 52 HZ3 LYS 52 0.046 -5.683 -4.367 471 H ARG 53 HN ARG 53 6.266 -1.850 -2.117 472 HA ARG 53 HA ARG 53 7.366 -2.291 -4.674 473 HE ARG 53 HE ARG 53 9.960 1.918 -6.279 474 HB2 ARG 53 HB2 ARG 53 7.221 -0.101 -3.334 475 HB3 ARG 53 HB1 ARG 53 8.696 -0.638 -2.540 476 HG2 ARG 53 HG2 ARG 53 9.870 -0.672 -4.643 477 HG3 ARG 53 HG1 ARG 53 8.387 -0.281 -5.514 478 HD2 ARG 53 HD2 ARG 53 8.295 1.889 -4.560 479 HD3 ARG 53 HD1 ARG 53 9.556 1.502 -3.393 480 HH11 ARG 53 HH11 ARG 53 11.251 1.720 -3.032 481 HH12 ARG 53 HH12 ARG 53 12.811 2.309 -3.491 482 HH21 ARG 53 HH21 ARG 53 12.014 2.686 -6.869 483 HH22 ARG 53 HH22 ARG 53 13.245 2.856 -5.662 484 H ALA 54 HN ALA 54 8.446 -3.142 -1.443 485 HA ALA 54 HA ALA 54 11.068 -3.945 -2.185 486 HB1 ALA 54 HB1 ALA 54 9.410 -4.702 0.218 487 HB2 ALA 54 HB2 ALA 54 10.546 -3.357 0.105 488 HB3 ALA 54 HB3 ALA 54 11.136 -5.017 0.028 489 H LYS 55 HN LYS 55 7.964 -5.500 -2.298 490 HA LYS 55 HA LYS 55 9.017 -8.170 -2.501 491 HB2 LYS 55 HB2 LYS 55 6.247 -7.260 -3.270 492 HB3 LYS 55 HB1 LYS 55 6.760 -8.877 -2.805 493 HG2 LYS 55 HG2 LYS 55 6.599 -6.458 -1.025 494 HG3 LYS 55 HG1 LYS 55 5.533 -7.863 -1.004 495 HD2 LYS 55 HD2 LYS 55 6.894 -8.770 0.508 496 HD3 LYS 55 HD1 LYS 55 8.115 -8.901 -0.760 497 HE2 LYS 55 HE2 LYS 55 8.782 -6.534 -0.184 498 HE3 LYS 55 HE1 LYS 55 7.743 -6.675 1.233 499 HZ1 LYS 55 HZ1 LYS 55 10.261 -7.242 1.388 500 HZ2 LYS 55 HZ2 LYS 55 9.781 -8.733 0.751 501 HZ3 LYS 55 HZ3 LYS 55 9.128 -8.189 2.214 502 H ILE 56 HN ILE 56 9.060 -5.631 -4.614 503 HA ILE 56 HA ILE 56 8.332 -6.990 -7.029 504 HB ILE 56 HB ILE 56 9.970 -4.470 -6.752 505 HG12 ILE 56 HG12 ILE 56 6.976 -4.757 -7.080 506 HG13 ILE 56 HG11 ILE 56 7.783 -4.335 -5.573 507 HG21 ILE 56 HG21 ILE 56 8.264 -5.430 -9.042 508 HG22 ILE 56 HG22 ILE 56 10.017 -5.608 -8.958 509 HG23 ILE 56 HG23 ILE 56 9.295 -3.999 -9.006 510 HD11 ILE 56 HD11 ILE 56 6.782 -2.456 -6.986 511 HD12 ILE 56 HD12 ILE 56 8.170 -2.699 -8.047 512 HD13 ILE 56 HD13 ILE 56 8.417 -2.242 -6.361 513 H LYS 57 HN LYS 57 11.483 -5.526 -6.226 514 HA LYS 57 HA LYS 57 12.833 -7.995 -6.990 515 HB2 LYS 57 HB2 LYS 57 12.471 -6.099 -8.904 516 HB3 LYS 57 HB1 LYS 57 14.005 -5.582 -8.221 517 HG2 LYS 57 HG2 LYS 57 14.530 -8.184 -8.505 518 HG3 LYS 57 HG1 LYS 57 13.340 -7.991 -9.793 519 HD2 LYS 57 HD2 LYS 57 15.290 -5.837 -9.761 520 HD3 LYS 57 HD1 LYS 57 16.046 -7.420 -9.950 521 HE2 LYS 57 HE2 LYS 57 15.591 -7.072 -12.132 522 HE3 LYS 57 HE1 LYS 57 13.998 -7.673 -11.675 523 HZ1 LYS 57 HZ1 LYS 57 14.359 -4.836 -11.280 524 HZ2 LYS 57 HZ2 LYS 57 13.074 -5.676 -11.990 525 HZ3 LYS 57 HZ3 LYS 57 14.457 -5.325 -12.897 526 H LYS 58 HN LYS 58 15.405 -7.158 -7.056 527 HA LYS 58 HA LYS 58 15.818 -6.256 -4.299 528 HB2 LYS 58 HB2 LYS 58 17.221 -8.082 -6.129 529 HB3 LYS 58 HB1 LYS 58 18.285 -7.037 -5.197 530 HG2 LYS 58 HG2 LYS 58 18.110 -8.875 -3.833 531 HG3 LYS 58 HG1 LYS 58 16.854 -7.824 -3.176 532 HD2 LYS 58 HD2 LYS 58 15.135 -9.070 -4.155 533 HD3 LYS 58 HD1 LYS 58 16.230 -9.852 -5.297 534 HE2 LYS 58 HE2 LYS 58 16.590 -11.530 -3.885 535 HE3 LYS 58 HE1 LYS 58 17.051 -10.411 -2.603 536 HZ1 LYS 58 HZ1 LYS 58 14.736 -10.156 -2.017 537 HZ2 LYS 58 HZ2 LYS 58 15.154 -11.794 -1.985 538 HZ3 LYS 58 HZ3 LYS 58 14.263 -11.175 -3.282 539 H SER 59 HN SER 59 15.253 -4.517 -6.692 540 HA SER 59 HA SER 59 17.728 -3.059 -7.076 541 HG SER 59 HG SER 59 15.732 -3.457 -9.947 542 HB2 SER 59 HB2 SER 59 15.051 -2.072 -8.008 543 HB3 SER 59 HB1 SER 59 16.632 -1.896 -8.770 Start of MODEL 12 1 HA MET -1 HA MET -1 -11.903 -6.349 23.418 2 H1 MET -1 HT1 MET -1 -13.686 -4.440 23.919 3 H2 MET -1 HT2 MET -1 -12.511 -4.146 25.136 4 H3 MET -1 HT3 MET -1 -13.239 -5.694 25.000 5 HB2 MET -1 HB2 MET -1 -12.658 -3.711 22.347 6 HB3 MET -1 HB1 MET -1 -11.092 -4.294 21.800 7 HG2 MET -1 HG2 MET -1 -11.988 -5.913 20.529 8 HG3 MET -1 HG1 MET -1 -13.271 -6.261 21.687 9 HE1 MET -1 HE1 MET -1 -13.220 -2.418 19.388 10 HE2 MET -1 HE2 MET -1 -12.724 -3.694 18.275 11 HE3 MET -1 HE3 MET -1 -11.843 -3.447 19.784 12 H ASP 0 HN ASP 0 -9.608 -6.298 22.911 13 HA ASP 0 HA ASP 0 -8.039 -4.437 24.553 14 HB2 ASP 0 HB2 ASP 0 -7.801 -7.449 24.535 15 HB3 ASP 0 HB1 ASP 0 -6.557 -6.383 25.182 16 H GLU 1 HN GLU 1 -6.593 -3.449 23.323 17 HA GLU 1 HA GLU 1 -5.253 -4.959 21.196 18 HB2 GLU 1 HB2 GLU 1 -6.455 -2.206 20.851 19 HB3 GLU 1 HB1 GLU 1 -5.472 -3.045 19.659 20 HG2 GLU 1 HG2 GLU 1 -7.243 -4.100 18.865 21 HG3 GLU 1 HG1 GLU 1 -7.641 -4.727 20.464 22 H LYS 2 HN LYS 2 -3.256 -5.011 22.069 23 HA LYS 2 HA LYS 2 -2.128 -2.689 23.372 24 HB2 LYS 2 HB2 LYS 2 -1.726 -5.410 23.613 25 HB3 LYS 2 HB1 LYS 2 -0.283 -4.877 22.763 26 HG2 LYS 2 HG2 LYS 2 -0.095 -3.089 24.582 27 HG3 LYS 2 HG1 LYS 2 -1.272 -4.058 25.470 28 HD2 LYS 2 HD2 LYS 2 1.414 -4.997 24.462 29 HD3 LYS 2 HD1 LYS 2 1.002 -4.630 26.137 30 HE2 LYS 2 HE2 LYS 2 -0.339 -6.756 24.471 31 HE3 LYS 2 HE1 LYS 2 0.981 -7.059 25.600 32 HZ1 LYS 2 HZ1 LYS 2 -1.622 -7.179 26.235 33 HZ2 LYS 2 HZ2 LYS 2 -1.250 -5.602 26.719 34 HZ3 LYS 2 HZ3 LYS 2 -0.381 -6.907 27.352 35 H ARG 3 HN ARG 3 -1.622 -4.512 20.380 36 HA ARG 3 HA ARG 3 -0.739 -2.236 18.960 37 HE ARG 3 HE ARG 3 2.397 0.002 19.302 38 HB2 ARG 3 HB2 ARG 3 1.272 -2.818 20.447 39 HB3 ARG 3 HB1 ARG 3 1.468 -4.231 19.419 40 HG2 ARG 3 HG2 ARG 3 2.061 -2.976 17.576 41 HG3 ARG 3 HG1 ARG 3 1.285 -1.516 18.193 42 HD2 ARG 3 HD2 ARG 3 3.355 -2.387 19.991 43 HD3 ARG 3 HD1 ARG 3 3.994 -2.218 18.356 44 HH11 ARG 3 HH11 ARG 3 5.601 -1.345 18.969 45 HH12 ARG 3 HH12 ARG 3 6.393 0.190 19.094 46 HH21 ARG 3 HH21 ARG 3 3.439 2.018 19.469 47 HH22 ARG 3 HH22 ARG 3 5.166 2.098 19.380 48 HA PRO 4 HA PRO 4 -1.929 -6.110 16.564 49 HB2 PRO 4 HB2 PRO 4 -4.459 -5.497 15.907 50 HB3 PRO 4 HB1 PRO 4 -4.061 -6.253 17.456 51 HG2 PRO 4 HG2 PRO 4 -4.633 -3.380 16.841 52 HG3 PRO 4 HG1 PRO 4 -5.188 -4.364 18.207 53 HD2 PRO 4 HD2 PRO 4 -3.087 -2.612 18.346 54 HD3 PRO 4 HD1 PRO 4 -3.248 -4.042 19.382 55 H ARG 5 HN ARG 5 -3.355 -5.865 14.303 56 HA ARG 5 HA ARG 5 -2.130 -3.591 12.894 57 HE ARG 5 HE ARG 5 -0.379 -7.273 11.180 58 HB2 ARG 5 HB2 ARG 5 -1.454 -6.178 12.495 59 HB3 ARG 5 HB1 ARG 5 -2.780 -6.034 11.351 60 HG2 ARG 5 HG2 ARG 5 -1.427 -5.068 9.896 61 HG3 ARG 5 HG1 ARG 5 -1.129 -3.756 11.037 62 HD2 ARG 5 HD2 ARG 5 0.939 -4.889 10.265 63 HD3 ARG 5 HD1 ARG 5 0.713 -4.947 12.013 64 HH11 ARG 5 HH11 ARG 5 2.709 -5.754 10.600 65 HH12 ARG 5 HH12 ARG 5 3.555 -7.254 10.422 66 HH21 ARG 5 HH21 ARG 5 0.731 -9.248 10.946 67 HH22 ARG 5 HH22 ARG 5 2.432 -9.238 10.617 68 H THR 6 HN THR 6 -3.440 -4.206 10.409 69 HA THR 6 HA THR 6 -6.147 -3.297 11.095 70 HB THR 6 HB THR 6 -5.008 -1.698 9.748 71 HG1 THR 6 HG1 THR 6 -6.576 -3.213 7.940 72 HG21 THR 6 HG21 THR 6 -3.194 -2.988 8.874 73 HG22 THR 6 HG22 THR 6 -4.078 -2.265 7.529 74 HG23 THR 6 HG23 THR 6 -4.298 -3.971 7.914 75 H ALA 7 HN ALA 7 -4.346 -5.672 9.241 76 HA ALA 7 HA ALA 7 -4.953 -7.644 8.281 77 HB1 ALA 7 HB1 ALA 7 -7.049 -7.191 10.291 78 HB2 ALA 7 HB2 ALA 7 -6.056 -8.615 9.982 79 HB3 ALA 7 HB3 ALA 7 -7.479 -8.301 8.990 80 H PHE 8 HN PHE 8 -4.909 -6.516 6.261 81 HA PHE 8 HA PHE 8 -7.157 -5.270 5.109 82 HD1 PHE 8 HD1 PHE 8 -5.739 -3.067 3.669 83 HD2 PHE 8 HD2 PHE 8 -3.083 -6.031 5.176 84 HE1 PHE 8 HE1 PHE 8 -4.203 -1.300 4.427 85 HE2 PHE 8 HE2 PHE 8 -1.544 -4.269 5.938 86 HZ PHE 8 HZ PHE 8 -2.103 -1.900 5.563 87 HB2 PHE 8 HB2 PHE 8 -4.864 -6.619 3.671 88 HB3 PHE 8 HB1 PHE 8 -5.943 -5.396 3.008 89 H SER 9 HN SER 9 -8.438 -6.009 3.307 90 HA SER 9 HA SER 9 -9.080 -8.870 3.524 91 HG SER 9 HG SER 9 -11.370 -7.101 1.287 92 HB2 SER 9 HB2 SER 9 -11.310 -8.360 3.012 93 HB3 SER 9 HB1 SER 9 -10.816 -6.996 4.014 94 H SER 10 HN SER 10 -9.797 -9.955 1.530 95 HA SER 10 HA SER 10 -7.927 -9.823 -0.509 96 HG SER 10 HG SER 10 -8.866 -11.937 0.708 97 HB2 SER 10 HB2 SER 10 -10.717 -10.960 -0.423 98 HB3 SER 10 HB1 SER 10 -9.706 -11.094 -1.862 99 H GLU 11 HN GLU 11 -11.122 -8.318 -0.317 100 HA GLU 11 HA GLU 11 -11.115 -7.239 -2.934 101 HB2 GLU 11 HB2 GLU 11 -12.672 -6.669 -0.433 102 HB3 GLU 11 HB1 GLU 11 -12.844 -5.627 -1.839 103 HG2 GLU 11 HG2 GLU 11 -14.077 -7.121 -2.946 104 HG3 GLU 11 HG1 GLU 11 -13.063 -8.474 -2.448 105 H GLN 12 HN GLN 12 -10.106 -5.961 0.207 106 HA GLN 12 HA GLN 12 -9.569 -3.332 -0.693 107 HB2 GLN 12 HB2 GLN 12 -8.564 -4.904 1.678 108 HB3 GLN 12 HB1 GLN 12 -8.135 -3.222 1.397 109 HG2 GLN 12 HG2 GLN 12 -10.297 -2.474 1.774 110 HG3 GLN 12 HG1 GLN 12 -11.001 -4.066 1.495 111 HE21 GLN 12 HE21 GLN 12 -11.953 -3.012 3.621 112 HE22 GLN 12 HE22 GLN 12 -11.226 -3.596 5.074 113 H LEU 13 HN LEU 13 -7.500 -6.188 -0.267 114 HA LEU 13 HA LEU 13 -5.110 -4.919 -1.097 115 HG LEU 13 HG LEU 13 -5.351 -7.223 1.238 116 HB2 LEU 13 HB2 LEU 13 -5.971 -7.791 -0.912 117 HB3 LEU 13 HB1 LEU 13 -4.415 -7.360 -1.589 118 HD11 LEU 13 HD11 LEU 13 -3.189 -8.193 1.666 119 HD12 LEU 13 HD12 LEU 13 -2.708 -7.944 -0.013 120 HD13 LEU 13 HD13 LEU 13 -3.989 -9.093 0.377 121 HD21 LEU 13 HD21 LEU 13 -4.700 -5.005 1.166 122 HD22 LEU 13 HD22 LEU 13 -3.466 -5.298 -0.059 123 HD23 LEU 13 HD23 LEU 13 -3.196 -5.815 1.606 124 H ALA 14 HN ALA 14 -7.683 -6.596 -2.784 125 HA ALA 14 HA ALA 14 -6.434 -6.884 -5.283 126 HB1 ALA 14 HB1 ALA 14 -8.396 -8.104 -5.051 127 HB2 ALA 14 HB2 ALA 14 -8.883 -6.787 -6.117 128 HB3 ALA 14 HB3 ALA 14 -9.293 -6.731 -4.403 129 H ARG 15 HN ARG 15 -8.413 -4.267 -3.933 130 HA ARG 15 HA ARG 15 -8.397 -2.635 -6.235 131 HE ARG 15 HE ARG 15 -12.234 -2.564 -5.887 132 HB2 ARG 15 HB2 ARG 15 -9.475 -2.512 -3.635 133 HB3 ARG 15 HB1 ARG 15 -8.482 -1.071 -3.812 134 HG2 ARG 15 HG2 ARG 15 -9.881 -0.129 -5.286 135 HG3 ARG 15 HG1 ARG 15 -10.214 -1.656 -6.104 136 HD2 ARG 15 HD2 ARG 15 -11.356 -1.871 -3.546 137 HD3 ARG 15 HD1 ARG 15 -11.774 -0.263 -4.139 138 HH11 ARG 15 HH11 ARG 15 -13.553 -0.044 -3.850 139 HH12 ARG 15 HH12 ARG 15 -15.153 -0.200 -4.490 140 HH21 ARG 15 HH21 ARG 15 -14.339 -2.765 -6.717 141 HH22 ARG 15 HH22 ARG 15 -15.600 -1.742 -6.113 142 H LEU 16 HN LEU 16 -6.374 -2.600 -3.308 143 HA LEU 16 HA LEU 16 -4.719 -0.464 -4.075 144 HG LEU 16 HG LEU 16 -6.086 -1.332 -1.726 145 HB2 LEU 16 HB2 LEU 16 -3.922 -2.815 -2.361 146 HB3 LEU 16 HB1 LEU 16 -3.199 -1.219 -2.363 147 HD11 LEU 16 HD11 LEU 16 -4.431 -3.167 -0.471 148 HD12 LEU 16 HD12 LEU 16 -5.993 -2.588 0.108 149 HD13 LEU 16 HD13 LEU 16 -4.507 -1.810 0.653 150 HD21 LEU 16 HD21 LEU 16 -4.345 0.651 -1.736 151 HD22 LEU 16 HD22 LEU 16 -4.009 0.053 -0.111 152 HD23 LEU 16 HD23 LEU 16 -5.639 0.570 -0.542 153 H LYS 17 HN LYS 17 -4.591 -3.907 -4.740 154 HA LYS 17 HA LYS 17 -1.998 -4.033 -5.813 155 HB2 LYS 17 HB2 LYS 17 -4.364 -5.739 -5.726 156 HB3 LYS 17 HB1 LYS 17 -3.457 -5.924 -7.220 157 HG2 LYS 17 HG2 LYS 17 -1.417 -6.080 -5.558 158 HG3 LYS 17 HG1 LYS 17 -2.681 -6.583 -4.434 159 HD2 LYS 17 HD2 LYS 17 -3.385 -8.175 -6.376 160 HD3 LYS 17 HD1 LYS 17 -1.738 -7.902 -6.947 161 HE2 LYS 17 HE2 LYS 17 -2.588 -9.035 -4.287 162 HE3 LYS 17 HE1 LYS 17 -1.763 -9.884 -5.595 163 HZ1 LYS 17 HZ1 LYS 17 0.158 -8.465 -5.263 164 HZ2 LYS 17 HZ2 LYS 17 -0.237 -9.261 -3.824 165 HZ3 LYS 17 HZ3 LYS 17 -0.635 -7.629 -4.024 166 H ARG 18 HN ARG 18 -5.148 -3.471 -7.347 167 HA ARG 18 HA ARG 18 -4.228 -3.300 -9.995 168 HE ARG 18 HE ARG 18 -9.261 -5.305 -8.105 169 HB2 ARG 18 HB2 ARG 18 -6.605 -1.939 -8.710 170 HB3 ARG 18 HB1 ARG 18 -6.339 -2.095 -10.441 171 HG2 ARG 18 HG2 ARG 18 -6.752 -4.375 -10.432 172 HG3 ARG 18 HG1 ARG 18 -6.444 -4.523 -8.701 173 HD2 ARG 18 HD2 ARG 18 -8.493 -3.161 -8.294 174 HD3 ARG 18 HD1 ARG 18 -8.822 -3.226 -10.025 175 HH11 ARG 18 HH11 ARG 18 -8.586 -4.652 -11.467 176 HH12 ARG 18 HH12 ARG 18 -9.275 -6.140 -12.023 177 HH21 ARG 18 HH21 ARG 18 -10.167 -7.262 -8.836 178 HH22 ARG 18 HH22 ARG 18 -10.173 -7.622 -10.530 179 H GLU 19 HN GLU 19 -4.705 -0.810 -7.515 180 HA GLU 19 HA GLU 19 -3.983 1.393 -9.117 181 HB2 GLU 19 HB2 GLU 19 -4.282 0.869 -6.212 182 HB3 GLU 19 HB1 GLU 19 -3.296 2.253 -6.660 183 HG2 GLU 19 HG2 GLU 19 -5.841 2.088 -8.089 184 HG3 GLU 19 HG1 GLU 19 -5.997 2.278 -6.344 185 H PHE 20 HN PHE 20 -2.098 -0.768 -7.058 186 HA PHE 20 HA PHE 20 0.347 0.611 -7.205 187 HD1 PHE 20 HD2 PHE 20 2.042 -2.590 -8.258 188 HD2 PHE 20 HD1 PHE 20 1.851 -0.630 -4.486 189 HE1 PHE 20 HE2 PHE 20 4.474 -2.862 -7.997 190 HE2 PHE 20 HE1 PHE 20 4.282 -0.897 -4.218 191 HZ PHE 20 HZ PHE 20 5.597 -2.015 -5.976 192 HB2 PHE 20 HB2 PHE 20 -0.116 -1.195 -5.581 193 HB3 PHE 20 HB1 PHE 20 -0.105 -2.365 -6.897 194 H ASN 21 HN ASN 21 -1.144 -1.787 -9.310 195 HA ASN 21 HA ASN 21 1.083 -2.295 -10.953 196 HB2 ASN 21 HB2 ASN 21 -1.620 -3.093 -10.851 197 HB3 ASN 21 HB1 ASN 21 -1.376 -2.412 -12.456 198 HD21 ASN 21 HD21 ASN 21 -1.893 -5.147 -11.765 199 HD22 ASN 21 HD22 ASN 21 -0.545 -6.071 -12.322 200 H GLU 22 HN GLU 22 -1.174 0.340 -10.820 201 HA GLU 22 HA GLU 22 -0.450 1.391 -13.414 202 HB2 GLU 22 HB2 GLU 22 -2.223 2.325 -11.174 203 HB3 GLU 22 HB1 GLU 22 -1.793 3.412 -12.487 204 HG2 GLU 22 HG2 GLU 22 -2.689 1.687 -14.074 205 HG3 GLU 22 HG1 GLU 22 -3.308 0.823 -12.666 206 H ASN 23 HN ASN 23 0.322 1.958 -10.038 207 HA ASN 23 HA ASN 23 2.726 3.363 -10.786 208 HB2 ASN 23 HB2 ASN 23 0.375 4.848 -10.097 209 HB3 ASN 23 HB1 ASN 23 1.572 5.062 -8.823 210 HD21 ASN 23 HD21 ASN 23 2.433 6.989 -9.161 211 HD22 ASN 23 HD22 ASN 23 3.092 7.548 -10.657 212 H ARG 24 HN ARG 24 4.278 2.670 -9.484 213 HA ARG 24 HA ARG 24 3.695 1.107 -7.169 214 HE ARG 24 HE ARG 24 6.633 -0.970 -10.890 215 HB2 ARG 24 HB2 ARG 24 6.327 2.155 -8.217 216 HB3 ARG 24 HB1 ARG 24 6.155 0.970 -6.931 217 HG2 ARG 24 HG2 ARG 24 4.861 -0.424 -8.645 218 HG3 ARG 24 HG1 ARG 24 5.545 0.673 -9.847 219 HD2 ARG 24 HD2 ARG 24 7.790 0.101 -8.593 220 HD3 ARG 24 HD1 ARG 24 6.895 -1.343 -8.120 221 HH11 ARG 24 HH11 ARG 24 9.046 -1.838 -8.523 222 HH12 ARG 24 HH12 ARG 24 9.963 -2.804 -9.629 223 HH21 ARG 24 HH21 ARG 24 7.838 -2.240 -12.346 224 HH22 ARG 24 HH22 ARG 24 9.279 -3.032 -11.800 225 H TYR 25 HN TYR 25 3.731 4.399 -7.560 226 HA TYR 25 HA TYR 25 4.681 4.884 -4.823 227 HD1 TYR 25 HD2 TYR 25 5.414 4.986 -8.443 228 HD2 TYR 25 HD1 TYR 25 7.291 7.268 -5.381 229 HE1 TYR 25 HE2 TYR 25 7.613 4.473 -9.416 230 HE2 TYR 25 HE1 TYR 25 9.495 6.762 -6.347 231 HH TYR 25 HH TYR 25 10.391 4.696 -7.906 232 HB2 TYR 25 HB2 TYR 25 4.233 6.912 -7.023 233 HB3 TYR 25 HB1 TYR 25 4.987 7.203 -5.459 234 H LEU 26 HN LEU 26 3.469 7.017 -3.968 235 HA LEU 26 HA LEU 26 0.621 6.872 -4.556 236 HG LEU 26 HG LEU 26 0.610 4.215 -2.989 237 HB2 LEU 26 HB2 LEU 26 1.890 5.915 -2.075 238 HB3 LEU 26 HB1 LEU 26 0.514 6.971 -1.838 239 HD11 LEU 26 HD11 LEU 26 -1.279 3.894 -1.520 240 HD12 LEU 26 HD12 LEU 26 -1.342 5.623 -1.170 241 HD13 LEU 26 HD13 LEU 26 0.032 4.659 -0.621 242 HD21 LEU 26 HD21 LEU 26 -0.493 5.366 -4.770 243 HD22 LEU 26 HD22 LEU 26 -1.473 6.294 -3.632 244 HD23 LEU 26 HD23 LEU 26 -1.728 4.558 -3.805 245 H THR 27 HN THR 27 -0.235 8.817 -4.630 246 HA THR 27 HA THR 27 1.282 11.084 -3.586 247 HB THR 27 HB THR 27 -0.010 12.457 -5.020 248 HG1 THR 27 HG1 THR 27 -2.061 11.989 -4.957 249 HG21 THR 27 HG21 THR 27 0.701 9.857 -6.278 250 HG22 THR 27 HG22 THR 27 1.386 11.462 -6.531 251 HG23 THR 27 HG23 THR 27 -0.190 11.058 -7.212 252 H GLU 28 HN GLU 28 -0.006 12.860 -2.528 253 HA GLU 28 HA GLU 28 -1.260 11.957 -0.217 254 HB2 GLU 28 HB2 GLU 28 -1.383 14.620 -1.631 255 HB3 GLU 28 HB1 GLU 28 -2.168 14.340 -0.083 256 HG2 GLU 28 HG2 GLU 28 0.602 13.489 -0.074 257 HG3 GLU 28 HG1 GLU 28 0.423 15.193 -0.489 258 H ARG 29 HN ARG 29 -2.684 13.194 -3.214 259 HA ARG 29 HA ARG 29 -5.375 12.976 -2.482 260 HE ARG 29 HE ARG 29 -5.759 16.215 -2.205 261 HB2 ARG 29 HB2 ARG 29 -4.182 12.689 -5.244 262 HB3 ARG 29 HB1 ARG 29 -5.858 13.067 -4.873 263 HG2 ARG 29 HG2 ARG 29 -3.726 14.844 -3.805 264 HG3 ARG 29 HG1 ARG 29 -4.146 14.947 -5.516 265 HD2 ARG 29 HD2 ARG 29 -6.011 16.070 -5.059 266 HD3 ARG 29 HD1 ARG 29 -6.520 14.858 -3.884 267 HH11 ARG 29 HH11 ARG 29 -4.461 17.339 -5.242 268 HH12 ARG 29 HH12 ARG 29 -3.801 18.790 -4.566 269 HH21 ARG 29 HH21 ARG 29 -4.893 18.123 -1.313 270 HH22 ARG 29 HH22 ARG 29 -4.046 19.236 -2.336 271 H ARG 30 HN ARG 30 -3.183 10.604 -3.967 272 HA ARG 30 HA ARG 30 -5.184 8.655 -4.447 273 HE ARG 30 HE ARG 30 -1.295 6.165 -7.236 274 HB2 ARG 30 HB2 ARG 30 -2.219 8.731 -4.469 275 HB3 ARG 30 HB1 ARG 30 -2.967 7.152 -4.282 276 HG2 ARG 30 HG2 ARG 30 -3.857 7.163 -6.382 277 HG3 ARG 30 HG1 ARG 30 -3.942 8.924 -6.457 278 HD2 ARG 30 HD2 ARG 30 -2.037 8.945 -7.599 279 HD3 ARG 30 HD1 ARG 30 -1.216 8.236 -6.212 280 HH11 ARG 30 HH11 ARG 30 -3.145 8.482 -9.082 281 HH12 ARG 30 HH12 ARG 30 -3.263 7.463 -10.475 282 HH21 ARG 30 HH21 ARG 30 -1.451 4.826 -9.069 283 HH22 ARG 30 HH22 ARG 30 -2.303 5.388 -10.468 284 H ARG 31 HN ARG 31 -2.880 9.143 -1.793 285 HA ARG 31 HA ARG 31 -3.566 6.822 -0.358 286 HE ARG 31 HE ARG 31 1.154 6.616 1.389 287 HB2 ARG 31 HB2 ARG 31 -1.700 8.822 -0.076 288 HB3 ARG 31 HB1 ARG 31 -2.768 9.112 1.291 289 HG2 ARG 31 HG2 ARG 31 -2.431 6.868 2.093 290 HG3 ARG 31 HG1 ARG 31 -1.477 6.466 0.665 291 HD2 ARG 31 HD2 ARG 31 -0.577 8.805 2.227 292 HD3 ARG 31 HD1 ARG 31 -0.402 7.234 3.005 293 HH11 ARG 31 HH11 ARG 31 -0.156 9.783 0.696 294 HH12 ARG 31 HH12 ARG 31 1.081 10.176 -0.449 295 HH21 ARG 31 HH21 ARG 31 2.771 7.138 -0.121 296 HH22 ARG 31 HH22 ARG 31 2.739 8.677 -0.914 297 H GLN 32 HN GLN 32 -4.706 10.178 -0.070 298 HA GLN 32 HA GLN 32 -6.509 9.673 2.056 299 HB2 GLN 32 HB2 GLN 32 -5.563 11.925 1.249 300 HB3 GLN 32 HB1 GLN 32 -6.839 11.884 0.041 301 HG2 GLN 32 HG2 GLN 32 -8.244 11.374 2.304 302 HG3 GLN 32 HG1 GLN 32 -6.975 12.436 2.914 303 HE21 GLN 32 HE21 GLN 32 -8.820 12.305 -0.116 304 HE22 GLN 32 HE22 GLN 32 -9.375 13.939 -0.048 305 H GLN 33 HN GLN 33 -6.859 9.692 -1.456 306 HA GLN 33 HA GLN 33 -9.676 9.414 -1.496 307 HB2 GLN 33 HB2 GLN 33 -7.493 8.924 -3.495 308 HB3 GLN 33 HB1 GLN 33 -9.141 8.427 -3.851 309 HG2 GLN 33 HG2 GLN 33 -9.170 11.108 -2.880 310 HG3 GLN 33 HG1 GLN 33 -7.974 10.970 -4.167 311 HE21 GLN 33 HE21 GLN 33 -8.698 10.001 -6.190 312 HE22 GLN 33 HE22 GLN 33 -10.328 10.261 -6.703 313 H LEU 34 HN LEU 34 -7.044 7.038 -1.802 314 HA LEU 34 HA LEU 34 -8.714 4.775 -2.022 315 HG LEU 34 HG LEU 34 -7.192 3.180 -3.197 316 HB2 LEU 34 HB2 LEU 34 -5.848 5.282 -1.494 317 HB3 LEU 34 HB1 LEU 34 -6.466 3.740 -0.936 318 HD11 LEU 34 HD11 LEU 34 -6.076 5.886 -3.909 319 HD12 LEU 34 HD12 LEU 34 -7.750 5.352 -4.051 320 HD13 LEU 34 HD13 LEU 34 -6.508 4.642 -5.081 321 HD21 LEU 34 HD21 LEU 34 -4.336 4.147 -3.196 322 HD22 LEU 34 HD22 LEU 34 -5.024 2.860 -4.186 323 HD23 LEU 34 HD23 LEU 34 -4.890 2.653 -2.440 324 H SER 35 HN SER 35 -7.260 6.415 0.739 325 HA SER 35 HA SER 35 -7.901 4.537 2.718 326 HG SER 35 HG SER 35 -8.750 7.913 3.631 327 HB2 SER 35 HB2 SER 35 -7.438 6.259 4.302 328 HB3 SER 35 HB1 SER 35 -6.368 6.558 2.934 329 H SER 36 HN SER 36 -9.680 7.370 1.552 330 HA SER 36 HA SER 36 -11.893 7.033 3.295 331 HG SER 36 HG SER 36 -13.329 9.858 1.940 332 HB2 SER 36 HB2 SER 36 -11.127 9.118 1.912 333 HB3 SER 36 HB1 SER 36 -12.138 8.420 0.647 334 H GLU 37 HN GLU 37 -11.238 5.994 -0.015 335 HA GLU 37 HA GLU 37 -13.832 5.020 -0.570 336 HB2 GLU 37 HB2 GLU 37 -11.519 5.379 -2.012 337 HB3 GLU 37 HB1 GLU 37 -11.651 3.627 -1.940 338 HG2 GLU 37 HG2 GLU 37 -13.298 3.600 -3.426 339 HG3 GLU 37 HG1 GLU 37 -14.184 4.866 -2.578 340 H LEU 38 HN LEU 38 -10.868 3.316 0.450 341 HA LEU 38 HA LEU 38 -12.336 0.842 0.772 342 HG LEU 38 HG LEU 38 -9.948 1.622 -1.021 343 HB2 LEU 38 HB2 LEU 38 -9.467 1.511 1.421 344 HB3 LEU 38 HB1 LEU 38 -10.169 -0.095 1.453 345 HD11 LEU 38 HD11 LEU 38 -7.793 0.717 0.099 346 HD12 LEU 38 HD12 LEU 38 -8.038 0.471 -1.631 347 HD13 LEU 38 HD13 LEU 38 -8.345 -0.847 -0.501 348 HD21 LEU 38 HD21 LEU 38 -10.611 -1.305 -0.748 349 HD22 LEU 38 HD22 LEU 38 -10.608 -0.341 -2.225 350 HD23 LEU 38 HD23 LEU 38 -11.809 -0.030 -0.971 351 H GLY 39 HN GLY 39 -11.758 3.556 2.691 352 HA2 GLY 39 HA2 GLY 39 -12.361 3.987 4.871 353 HA3 GLY 39 HA1 GLY 39 -12.998 2.352 4.961 354 H LEU 40 HN LEU 40 -9.682 3.090 4.096 355 HA LEU 40 HA LEU 40 -8.823 1.806 6.603 356 HG LEU 40 HG LEU 40 -9.306 0.150 4.465 357 HB2 LEU 40 HB2 LEU 40 -7.466 1.964 3.912 358 HB3 LEU 40 HB1 LEU 40 -6.707 1.316 5.354 359 HD11 LEU 40 HD11 LEU 40 -7.277 -1.418 3.328 360 HD12 LEU 40 HD12 LEU 40 -6.956 0.241 2.822 361 HD13 LEU 40 HD13 LEU 40 -8.525 -0.493 2.492 362 HD21 LEU 40 HD21 LEU 40 -8.817 -1.320 6.052 363 HD22 LEU 40 HD22 LEU 40 -7.364 -0.398 6.437 364 HD23 LEU 40 HD23 LEU 40 -7.290 -1.710 5.261 365 H ASN 41 HN ASN 41 -6.519 2.494 7.241 366 HA ASN 41 HA ASN 41 -6.557 5.366 7.562 367 HB2 ASN 41 HB2 ASN 41 -5.873 3.473 9.284 368 HB3 ASN 41 HB1 ASN 41 -4.289 3.688 8.544 369 HD21 ASN 41 HD21 ASN 41 -3.810 4.324 10.804 370 HD22 ASN 41 HD22 ASN 41 -4.026 5.983 11.235 371 H GLU 42 HN GLU 42 -5.227 6.825 6.623 372 HA GLU 42 HA GLU 42 -4.029 6.355 4.185 373 HB2 GLU 42 HB2 GLU 42 -3.709 8.501 6.244 374 HB3 GLU 42 HB1 GLU 42 -2.631 8.480 4.856 375 HG2 GLU 42 HG2 GLU 42 -4.713 8.409 3.418 376 HG3 GLU 42 HG1 GLU 42 -5.615 8.788 4.884 377 H ALA 43 HN ALA 43 -2.556 6.298 7.399 378 HA ALA 43 HA ALA 43 0.109 5.921 6.555 379 HB1 ALA 43 HB1 ALA 43 0.628 5.632 8.778 380 HB2 ALA 43 HB2 ALA 43 -0.874 4.776 9.128 381 HB3 ALA 43 HB3 ALA 43 -0.889 6.524 8.896 382 H GLN 44 HN GLN 44 -2.557 3.717 7.092 383 HA GLN 44 HA GLN 44 -1.038 1.320 7.073 384 HB2 GLN 44 HB2 GLN 44 -3.818 2.076 7.217 385 HB3 GLN 44 HB1 GLN 44 -3.615 0.743 6.089 386 HG2 GLN 44 HG2 GLN 44 -3.942 -0.388 8.042 387 HG3 GLN 44 HG1 GLN 44 -2.183 -0.283 8.015 388 HE21 GLN 44 HE21 GLN 44 -4.955 1.661 9.084 389 HE22 GLN 44 HE22 GLN 44 -4.270 2.114 10.605 390 H ILE 45 HN ILE 45 -2.725 3.158 4.565 391 HA ILE 45 HA ILE 45 -2.278 1.312 2.466 392 HB ILE 45 HB ILE 45 -2.611 4.305 2.220 393 HG12 ILE 45 HG12 ILE 45 -4.835 2.306 1.947 394 HG13 ILE 45 HG11 ILE 45 -4.395 2.936 3.531 395 HG21 ILE 45 HG21 ILE 45 -2.797 4.040 0.001 396 HG22 ILE 45 HG22 ILE 45 -3.698 2.532 0.156 397 HG23 ILE 45 HG23 ILE 45 -1.939 2.525 0.276 398 HD11 ILE 45 HD11 ILE 45 -5.667 4.699 3.154 399 HD12 ILE 45 HD12 ILE 45 -6.038 4.106 1.535 400 HD13 ILE 45 HD13 ILE 45 -4.635 5.143 1.794 401 H LYS 46 HN LYS 46 -0.490 4.129 3.638 402 HA LYS 46 HA LYS 46 1.476 4.232 1.655 403 HB2 LYS 46 HB2 LYS 46 0.985 5.901 3.543 404 HB3 LYS 46 HB1 LYS 46 2.002 4.878 4.549 405 HG2 LYS 46 HG2 LYS 46 3.523 5.283 2.278 406 HG3 LYS 46 HG1 LYS 46 2.738 6.840 2.546 407 HD2 LYS 46 HD2 LYS 46 3.549 6.850 4.855 408 HD3 LYS 46 HD1 LYS 46 4.328 5.289 4.589 409 HE2 LYS 46 HE2 LYS 46 5.640 6.378 2.741 410 HE3 LYS 46 HE1 LYS 46 4.986 7.922 3.284 411 HZ1 LYS 46 HZ1 LYS 46 6.364 7.976 5.024 412 HZ2 LYS 46 HZ2 LYS 46 7.262 6.809 4.191 413 HZ3 LYS 46 HZ3 LYS 46 6.162 6.335 5.385 414 H ILE 47 HN ILE 47 1.427 2.468 4.745 415 HA ILE 47 HA ILE 47 4.013 1.362 4.502 416 HB ILE 47 HB ILE 47 1.627 0.269 6.004 417 HG12 ILE 47 HG12 ILE 47 3.947 1.802 7.159 418 HG13 ILE 47 HG11 ILE 47 2.523 2.629 6.537 419 HG21 ILE 47 HG21 ILE 47 2.874 -1.471 6.591 420 HG22 ILE 47 HG22 ILE 47 4.137 -0.397 7.192 421 HG23 ILE 47 HG23 ILE 47 4.145 -0.910 5.505 422 HD11 ILE 47 HD11 ILE 47 2.758 0.799 8.888 423 HD12 ILE 47 HD12 ILE 47 1.201 1.105 8.118 424 HD13 ILE 47 HD13 ILE 47 2.119 2.441 8.813 425 H TRP 48 HN TRP 48 0.830 0.229 3.467 426 HA TRP 48 HA TRP 48 1.590 -2.351 2.656 427 HD1 TRP 48 HD1 TRP 48 -0.921 -4.275 2.481 428 HE1 TRP 48 HE1 TRP 48 -1.493 -5.637 0.374 429 HE3 TRP 48 HE3 TRP 48 -0.344 -0.608 -1.043 430 HZ2 TRP 48 HZ2 TRP 48 -1.677 -5.218 -2.409 431 HZ3 TRP 48 HZ3 TRP 48 -0.736 -1.176 -3.404 432 HH2 TRP 48 HH2 TRP 48 -1.388 -3.431 -4.070 433 HB2 TRP 48 HB2 TRP 48 -0.761 -1.643 2.918 434 HB3 TRP 48 HB1 TRP 48 -0.595 -0.594 1.514 435 H PHE 49 HN PHE 49 1.394 0.693 0.839 436 HA PHE 49 HA PHE 49 2.205 -0.369 -1.641 437 HD1 PHE 49 HD1 PHE 49 -0.520 1.656 -1.095 438 HD2 PHE 49 HD2 PHE 49 2.580 1.917 -3.998 439 HE1 PHE 49 HE1 PHE 49 -2.207 1.711 -2.885 440 HE2 PHE 49 HE2 PHE 49 0.899 1.973 -5.793 441 HZ PHE 49 HZ PHE 49 -1.498 1.870 -5.238 442 HB2 PHE 49 HB2 PHE 49 1.771 2.283 -0.484 443 HB3 PHE 49 HB1 PHE 49 3.055 2.258 -1.689 444 H GLN 50 HN GLN 50 4.023 1.079 1.026 445 HA GLN 50 HA GLN 50 6.535 1.119 -0.242 446 HB2 GLN 50 HB2 GLN 50 5.638 2.090 2.087 447 HB3 GLN 50 HB1 GLN 50 6.417 0.633 2.688 448 HG2 GLN 50 HG2 GLN 50 8.391 1.614 2.583 449 HG3 GLN 50 HG1 GLN 50 8.182 1.903 0.857 450 HE21 GLN 50 HE21 GLN 50 6.553 3.201 3.728 451 HE22 GLN 50 HE22 GLN 50 6.866 4.862 3.368 452 H ASN 51 HN ASN 51 4.921 -1.341 1.723 453 HA ASN 51 HA ASN 51 7.108 -3.140 1.810 454 HB2 ASN 51 HB2 ASN 51 4.141 -3.666 2.091 455 HB3 ASN 51 HB1 ASN 51 5.411 -4.822 2.482 456 HD21 ASN 51 HD21 ASN 51 7.244 -3.289 3.761 457 HD22 ASN 51 HD22 ASN 51 6.575 -2.650 5.219 458 H LYS 52 HN LYS 52 4.355 -2.787 -0.380 459 HA LYS 52 HA LYS 52 4.906 -5.113 -1.908 460 HB2 LYS 52 HB2 LYS 52 2.990 -2.966 -1.939 461 HB3 LYS 52 HB1 LYS 52 3.608 -3.224 -3.565 462 HG2 LYS 52 HG2 LYS 52 3.138 -5.774 -2.800 463 HG3 LYS 52 HG1 LYS 52 1.880 -4.919 -1.906 464 HD2 LYS 52 HD2 LYS 52 0.666 -4.731 -3.760 465 HD3 LYS 52 HD1 LYS 52 1.984 -3.866 -4.552 466 HE2 LYS 52 HE2 LYS 52 2.952 -6.311 -4.814 467 HE3 LYS 52 HE1 LYS 52 1.249 -6.746 -4.671 468 HZ1 LYS 52 HZ1 LYS 52 1.861 -6.448 -6.975 469 HZ2 LYS 52 HZ2 LYS 52 2.411 -4.878 -6.667 470 HZ3 LYS 52 HZ3 LYS 52 0.765 -5.242 -6.517 471 H ARG 53 HN ARG 53 5.865 -1.730 -2.189 472 HA ARG 53 HA ARG 53 7.118 -1.935 -4.708 473 HE ARG 53 HE ARG 53 10.151 2.303 -4.351 474 HB2 ARG 53 HB2 ARG 53 6.508 0.161 -3.263 475 HB3 ARG 53 HB1 ARG 53 8.113 -0.067 -2.583 476 HG2 ARG 53 HG2 ARG 53 7.652 0.138 -5.540 477 HG3 ARG 53 HG1 ARG 53 7.887 1.558 -4.520 478 HD2 ARG 53 HD2 ARG 53 9.947 -0.094 -3.759 479 HD3 ARG 53 HD1 ARG 53 9.820 -0.398 -5.489 480 HH11 ARG 53 HH11 ARG 53 10.952 -0.121 -6.748 481 HH12 ARG 53 HH12 ARG 53 12.019 0.925 -7.618 482 HH21 ARG 53 HH21 ARG 53 11.556 3.664 -5.503 483 HH22 ARG 53 HH22 ARG 53 12.363 3.068 -6.915 484 H ALA 54 HN ALA 54 7.991 -3.096 -1.615 485 HA ALA 54 HA ALA 54 10.812 -3.097 -1.904 486 HB1 ALA 54 HB1 ALA 54 8.954 -3.788 0.093 487 HB2 ALA 54 HB2 ALA 54 10.710 -3.699 0.226 488 HB3 ALA 54 HB3 ALA 54 9.935 -5.223 -0.205 489 H LYS 55 HN LYS 55 8.314 -5.110 -3.195 490 HA LYS 55 HA LYS 55 10.282 -6.650 -4.639 491 HB2 LYS 55 HB2 LYS 55 9.263 -8.850 -3.875 492 HB3 LYS 55 HB1 LYS 55 10.316 -8.032 -2.731 493 HG2 LYS 55 HG2 LYS 55 8.667 -8.405 -1.272 494 HG3 LYS 55 HG1 LYS 55 7.892 -7.017 -2.040 495 HD2 LYS 55 HD2 LYS 55 7.109 -8.975 -3.714 496 HD3 LYS 55 HD1 LYS 55 7.244 -9.892 -2.212 497 HE2 LYS 55 HE2 LYS 55 5.914 -7.346 -1.814 498 HE3 LYS 55 HE1 LYS 55 5.093 -8.335 -3.021 499 HZ1 LYS 55 HZ1 LYS 55 4.681 -8.563 -0.407 500 HZ2 LYS 55 HZ2 LYS 55 5.908 -9.711 -0.597 501 HZ3 LYS 55 HZ3 LYS 55 4.479 -9.846 -1.492 502 H ILE 56 HN ILE 56 6.850 -6.442 -3.741 503 HA ILE 56 HA ILE 56 4.995 -6.211 -5.071 504 HB ILE 56 HB ILE 56 6.685 -6.648 -7.526 505 HG12 ILE 56 HG12 ILE 56 6.033 -3.868 -6.810 506 HG13 ILE 56 HG11 ILE 56 7.197 -4.635 -5.737 507 HG21 ILE 56 HG21 ILE 56 4.411 -4.795 -7.555 508 HG22 ILE 56 HG22 ILE 56 3.993 -6.481 -7.246 509 HG23 ILE 56 HG23 ILE 56 4.877 -6.045 -8.709 510 HD11 ILE 56 HD11 ILE 56 8.536 -5.240 -7.748 511 HD12 ILE 56 HD12 ILE 56 8.398 -3.508 -7.445 512 HD13 ILE 56 HD13 ILE 56 7.424 -4.262 -8.707 513 H LYS 57 HN LYS 57 7.189 -8.527 -6.673 514 HA LYS 57 HA LYS 57 5.033 -10.399 -7.061 515 HB2 LYS 57 HB2 LYS 57 7.836 -10.142 -7.933 516 HB3 LYS 57 HB1 LYS 57 7.284 -11.795 -7.701 517 HG2 LYS 57 HG2 LYS 57 6.390 -11.716 -9.723 518 HG3 LYS 57 HG1 LYS 57 5.239 -10.523 -9.118 519 HD2 LYS 57 HD2 LYS 57 7.884 -9.441 -9.795 520 HD3 LYS 57 HD1 LYS 57 6.987 -10.101 -11.163 521 HE2 LYS 57 HE2 LYS 57 5.298 -8.491 -9.447 522 HE3 LYS 57 HE1 LYS 57 6.690 -7.580 -10.030 523 HZ1 LYS 57 HZ1 LYS 57 5.638 -7.338 -11.946 524 HZ2 LYS 57 HZ2 LYS 57 4.353 -8.305 -11.425 525 HZ3 LYS 57 HZ3 LYS 57 5.685 -9.011 -12.192 526 H LYS 58 HN LYS 58 4.450 -11.984 -5.740 527 HA LYS 58 HA LYS 58 6.246 -13.470 -4.133 528 HB2 LYS 58 HB2 LYS 58 5.871 -11.148 -2.938 529 HB3 LYS 58 HB1 LYS 58 4.364 -11.896 -2.428 530 HG2 LYS 58 HG2 LYS 58 6.082 -13.859 -1.792 531 HG3 LYS 58 HG1 LYS 58 7.135 -12.455 -1.601 532 HD2 LYS 58 HD2 LYS 58 6.222 -12.573 0.498 533 HD3 LYS 58 HD1 LYS 58 5.067 -11.496 -0.288 534 HE2 LYS 58 HE2 LYS 58 3.452 -12.915 0.270 535 HE3 LYS 58 HE1 LYS 58 4.170 -14.095 -0.826 536 HZ1 LYS 58 HZ1 LYS 58 5.698 -14.314 1.398 537 HZ2 LYS 58 HZ2 LYS 58 4.408 -15.333 0.997 538 HZ3 LYS 58 HZ3 LYS 58 4.162 -14.031 2.048 539 H SER 59 HN SER 59 5.257 -15.260 -3.146 540 HA SER 59 HA SER 59 2.384 -15.582 -3.704 541 HG SER 59 HG SER 59 5.171 -18.117 -5.126 542 HB2 SER 59 HB2 SER 59 3.277 -18.131 -3.952 543 HB3 SER 59 HB1 SER 59 3.072 -17.030 -5.315 Start of MODEL 13 1 HA MET -1 HA MET -1 13.264 -15.504 4.091 2 H1 MET -1 HT1 MET -1 14.716 -16.249 6.523 3 H2 MET -1 HT2 MET -1 14.207 -14.699 5.995 4 H3 MET -1 HT3 MET -1 15.493 -15.501 5.190 5 HB2 MET -1 HB2 MET -1 15.393 -17.314 4.226 6 HB3 MET -1 HB1 MET -1 13.952 -18.317 4.312 7 HG2 MET -1 HG2 MET -1 13.889 -16.230 2.252 8 HG3 MET -1 HG1 MET -1 15.112 -17.479 2.021 9 HE1 MET -1 HE1 MET -1 11.444 -17.419 0.224 10 HE2 MET -1 HE2 MET -1 12.849 -18.182 -0.523 11 HE3 MET -1 HE3 MET -1 13.007 -16.603 0.246 12 H ASP 0 HN ASP 0 12.653 -15.465 6.988 13 HA ASP 0 HA ASP 0 10.950 -17.765 7.420 14 HB2 ASP 0 HB2 ASP 0 12.294 -16.054 9.109 15 HB3 ASP 0 HB1 ASP 0 10.628 -15.507 9.261 16 H GLU 1 HN GLU 1 9.381 -17.625 5.817 17 HA GLU 1 HA GLU 1 7.379 -17.042 4.910 18 HB2 GLU 1 HB2 GLU 1 6.814 -16.994 7.409 19 HB3 GLU 1 HB1 GLU 1 6.939 -15.245 7.286 20 HG2 GLU 1 HG2 GLU 1 5.279 -15.867 5.201 21 HG3 GLU 1 HG1 GLU 1 4.813 -17.042 6.426 22 H LYS 2 HN LYS 2 6.398 -15.431 3.649 23 HA LYS 2 HA LYS 2 7.810 -12.849 3.573 24 HB2 LYS 2 HB2 LYS 2 8.507 -14.408 1.731 25 HB3 LYS 2 HB1 LYS 2 6.849 -14.377 1.149 26 HG2 LYS 2 HG2 LYS 2 6.991 -12.046 0.653 27 HG3 LYS 2 HG1 LYS 2 8.566 -11.923 1.441 28 HD2 LYS 2 HD2 LYS 2 8.662 -13.977 -0.551 29 HD3 LYS 2 HD1 LYS 2 8.009 -12.502 -1.267 30 HE2 LYS 2 HE2 LYS 2 10.146 -11.886 -1.506 31 HE3 LYS 2 HE1 LYS 2 10.095 -11.549 0.224 32 HZ1 LYS 2 HZ1 LYS 2 11.956 -13.036 -0.689 33 HZ2 LYS 2 HZ2 LYS 2 10.774 -14.245 -0.757 34 HZ3 LYS 2 HZ3 LYS 2 11.161 -13.524 0.724 35 H ARG 3 HN ARG 3 6.556 -11.156 2.375 36 HA ARG 3 HA ARG 3 4.693 -9.893 2.062 37 HE ARG 3 HE ARG 3 1.680 -10.137 -0.737 38 HB2 ARG 3 HB2 ARG 3 3.193 -12.516 2.137 39 HB3 ARG 3 HB1 ARG 3 2.564 -10.980 1.559 40 HG2 ARG 3 HG2 ARG 3 5.029 -12.069 0.304 41 HG3 ARG 3 HG1 ARG 3 3.472 -12.792 -0.103 42 HD2 ARG 3 HD2 ARG 3 3.890 -9.825 -0.204 43 HD3 ARG 3 HD1 ARG 3 4.343 -10.858 -1.559 44 HH11 ARG 3 HH11 ARG 3 3.617 -12.456 -2.485 45 HH12 ARG 3 HH12 ARG 3 2.305 -12.988 -3.481 46 HH21 ARG 3 HH21 ARG 3 -0.046 -10.836 -2.046 47 HH22 ARG 3 HH22 ARG 3 0.225 -12.069 -3.232 48 HA PRO 4 HA PRO 4 3.827 -9.887 6.561 49 HB2 PRO 4 HB2 PRO 4 4.052 -7.212 6.871 50 HB3 PRO 4 HB1 PRO 4 5.460 -8.282 6.835 51 HG2 PRO 4 HG2 PRO 4 4.320 -6.575 4.655 52 HG3 PRO 4 HG1 PRO 4 6.016 -6.821 5.113 53 HD2 PRO 4 HD2 PRO 4 4.843 -8.098 3.017 54 HD3 PRO 4 HD1 PRO 4 6.167 -8.806 3.962 55 H ARG 5 HN ARG 5 1.971 -9.258 7.683 56 HA ARG 5 HA ARG 5 -0.107 -7.922 6.080 57 HE ARG 5 HE ARG 5 -4.266 -10.892 4.906 58 HB2 ARG 5 HB2 ARG 5 -0.140 -10.580 6.855 59 HB3 ARG 5 HB1 ARG 5 -1.139 -9.793 8.069 60 HG2 ARG 5 HG2 ARG 5 -2.249 -8.677 5.967 61 HG3 ARG 5 HG1 ARG 5 -1.582 -10.087 5.143 62 HD2 ARG 5 HD2 ARG 5 -2.717 -11.188 7.382 63 HD3 ARG 5 HD1 ARG 5 -3.830 -9.878 6.999 64 HH11 ARG 5 HH11 ARG 5 -2.185 -12.828 6.947 65 HH12 ARG 5 HH12 ARG 5 -2.480 -14.286 6.064 66 HH21 ARG 5 HH21 ARG 5 -4.641 -12.812 3.752 67 HH22 ARG 5 HH22 ARG 5 -3.869 -14.279 4.254 68 H THR 6 HN THR 6 -1.754 -6.813 7.302 69 HA THR 6 HA THR 6 -1.016 -6.169 10.068 70 HB THR 6 HB THR 6 -1.405 -3.783 9.653 71 HG1 THR 6 HG1 THR 6 -2.353 -3.189 7.900 72 HG21 THR 6 HG21 THR 6 0.457 -3.748 7.609 73 HG22 THR 6 HG22 THR 6 0.782 -5.249 8.476 74 HG23 THR 6 HG23 THR 6 0.784 -3.712 9.341 75 H ALA 7 HN ALA 7 -3.459 -5.118 7.689 76 HA ALA 7 HA ALA 7 -5.603 -6.491 8.911 77 HB1 ALA 7 HB1 ALA 7 -4.874 -4.392 10.445 78 HB2 ALA 7 HB2 ALA 7 -6.509 -5.044 10.366 79 HB3 ALA 7 HB3 ALA 7 -6.075 -3.636 9.400 80 H PHE 8 HN PHE 8 -5.150 -6.596 6.418 81 HA PHE 8 HA PHE 8 -6.864 -4.609 5.084 82 HD1 PHE 8 HD1 PHE 8 -5.673 -2.796 3.454 83 HD2 PHE 8 HD2 PHE 8 -2.744 -5.479 4.981 84 HE1 PHE 8 HE1 PHE 8 -4.152 -0.904 3.851 85 HE2 PHE 8 HE2 PHE 8 -1.218 -3.592 5.382 86 HZ PHE 8 HZ PHE 8 -1.922 -1.301 4.817 87 HB2 PHE 8 HB2 PHE 8 -4.652 -6.323 3.937 88 HB3 PHE 8 HB1 PHE 8 -5.702 -5.279 2.983 89 H SER 9 HN SER 9 -8.152 -5.419 3.260 90 HA SER 9 HA SER 9 -9.131 -8.149 3.786 91 HG SER 9 HG SER 9 -11.142 -4.999 2.422 92 HB2 SER 9 HB2 SER 9 -11.313 -7.452 3.422 93 HB3 SER 9 HB1 SER 9 -10.622 -6.014 4.173 94 H SER 10 HN SER 10 -10.069 -9.276 1.915 95 HA SER 10 HA SER 10 -8.308 -9.508 -0.209 96 HG SER 10 HG SER 10 -10.014 -10.950 -2.203 97 HB2 SER 10 HB2 SER 10 -10.248 -11.069 0.589 98 HB3 SER 10 HB1 SER 10 -11.213 -10.166 -0.579 99 H GLU 11 HN GLU 11 -11.384 -7.738 -0.077 100 HA GLU 11 HA GLU 11 -11.342 -6.835 -2.748 101 HB2 GLU 11 HB2 GLU 11 -12.671 -5.595 -0.332 102 HB3 GLU 11 HB1 GLU 11 -13.024 -5.194 -2.006 103 HG2 GLU 11 HG2 GLU 11 -13.653 -7.615 -2.325 104 HG3 GLU 11 HG1 GLU 11 -13.559 -7.776 -0.572 105 H GLN 12 HN GLN 12 -10.115 -5.438 0.258 106 HA GLN 12 HA GLN 12 -9.382 -2.935 -0.840 107 HB2 GLN 12 HB2 GLN 12 -8.463 -4.434 1.607 108 HB3 GLN 12 HB1 GLN 12 -7.856 -2.837 1.196 109 HG2 GLN 12 HG2 GLN 12 -9.906 -1.824 1.568 110 HG3 GLN 12 HG1 GLN 12 -10.793 -3.338 1.422 111 HE21 GLN 12 HE21 GLN 12 -11.420 -1.838 3.503 112 HE22 GLN 12 HE22 GLN 12 -10.771 -2.476 4.972 113 H LEU 13 HN LEU 13 -7.603 -5.961 -0.362 114 HA LEU 13 HA LEU 13 -5.112 -4.969 -1.271 115 HG LEU 13 HG LEU 13 -5.277 -7.204 1.125 116 HB2 LEU 13 HB2 LEU 13 -6.285 -7.687 -0.868 117 HB3 LEU 13 HB1 LEU 13 -4.800 -7.542 -1.782 118 HD11 LEU 13 HD11 LEU 13 -4.150 -9.156 -0.006 119 HD12 LEU 13 HD12 LEU 13 -3.249 -8.399 1.309 120 HD13 LEU 13 HD13 LEU 13 -2.814 -8.062 -0.368 121 HD21 LEU 13 HD21 LEU 13 -3.280 -5.553 -0.412 122 HD22 LEU 13 HD22 LEU 13 -3.153 -5.882 1.316 123 HD23 LEU 13 HD23 LEU 13 -4.534 -4.984 0.689 124 H ALA 14 HN ALA 14 -7.860 -6.459 -2.883 125 HA ALA 14 HA ALA 14 -6.666 -6.889 -5.389 126 HB1 ALA 14 HB1 ALA 14 -8.818 -7.871 -4.723 127 HB2 ALA 14 HB2 ALA 14 -8.931 -7.016 -6.262 128 HB3 ALA 14 HB3 ALA 14 -9.558 -6.272 -4.791 129 H ARG 15 HN ARG 15 -8.550 -4.145 -4.144 130 HA ARG 15 HA ARG 15 -8.373 -2.580 -6.490 131 HE ARG 15 HE ARG 15 -10.616 -1.773 -7.810 132 HB2 ARG 15 HB2 ARG 15 -9.145 -2.126 -3.664 133 HB3 ARG 15 HB1 ARG 15 -8.657 -0.701 -4.572 134 HG2 ARG 15 HG2 ARG 15 -10.608 -2.528 -5.850 135 HG3 ARG 15 HG1 ARG 15 -11.166 -1.552 -4.490 136 HD2 ARG 15 HD2 ARG 15 -11.438 0.138 -5.908 137 HD3 ARG 15 HD1 ARG 15 -9.686 0.194 -6.092 138 HH11 ARG 15 HH11 ARG 15 -10.965 1.675 -7.406 139 HH12 ARG 15 HH12 ARG 15 -11.217 1.974 -9.092 140 HH21 ARG 15 HH21 ARG 15 -10.949 -1.382 -10.029 141 HH22 ARG 15 HH22 ARG 15 -11.209 0.239 -10.582 142 H LEU 16 HN LEU 16 -6.429 -2.682 -3.535 143 HA LEU 16 HA LEU 16 -4.683 -0.577 -4.194 144 HG LEU 16 HG LEU 16 -5.587 -0.451 -1.905 145 HB2 LEU 16 HB2 LEU 16 -4.569 -2.902 -2.318 146 HB3 LEU 16 HB1 LEU 16 -3.123 -1.950 -2.589 147 HD11 LEU 16 HD11 LEU 16 -5.346 -2.587 -0.420 148 HD12 LEU 16 HD12 LEU 16 -5.686 -1.021 0.317 149 HD13 LEU 16 HD13 LEU 16 -4.045 -1.667 0.337 150 HD21 LEU 16 HD21 LEU 16 -3.576 0.466 -0.342 151 HD22 LEU 16 HD22 LEU 16 -3.914 1.050 -1.971 152 HD23 LEU 16 HD23 LEU 16 -2.668 -0.172 -1.713 153 H LYS 17 HN LYS 17 -4.616 -4.028 -4.902 154 HA LYS 17 HA LYS 17 -1.995 -4.164 -5.919 155 HB2 LYS 17 HB2 LYS 17 -3.863 -6.015 -5.399 156 HB3 LYS 17 HB1 LYS 17 -4.090 -5.884 -7.136 157 HG2 LYS 17 HG2 LYS 17 -1.803 -6.484 -7.536 158 HG3 LYS 17 HG1 LYS 17 -1.450 -6.447 -5.807 159 HD2 LYS 17 HD2 LYS 17 -3.429 -8.204 -5.736 160 HD3 LYS 17 HD1 LYS 17 -2.929 -8.473 -7.407 161 HE2 LYS 17 HE2 LYS 17 -0.540 -8.614 -6.381 162 HE3 LYS 17 HE1 LYS 17 -1.404 -8.918 -4.874 163 HZ1 LYS 17 HZ1 LYS 17 -2.308 -10.878 -5.699 164 HZ2 LYS 17 HZ2 LYS 17 -0.722 -10.911 -6.287 165 HZ3 LYS 17 HZ3 LYS 17 -1.994 -10.475 -7.313 166 H ARG 18 HN ARG 18 -5.117 -3.618 -7.518 167 HA ARG 18 HA ARG 18 -4.152 -3.447 -10.144 168 HE ARG 18 HE ARG 18 -6.498 -4.063 -13.431 169 HB2 ARG 18 HB2 ARG 18 -6.629 -3.177 -8.858 170 HB3 ARG 18 HB1 ARG 18 -6.374 -1.647 -9.685 171 HG2 ARG 18 HG2 ARG 18 -5.992 -4.250 -11.112 172 HG3 ARG 18 HG1 ARG 18 -7.593 -3.531 -10.927 173 HD2 ARG 18 HD2 ARG 18 -6.910 -1.553 -12.090 174 HD3 ARG 18 HD1 ARG 18 -5.229 -2.083 -12.108 175 HH11 ARG 18 HH11 ARG 18 -6.506 -0.591 -13.788 176 HH12 ARG 18 HH12 ARG 18 -6.800 -0.642 -15.493 177 HH21 ARG 18 HH21 ARG 18 -6.884 -4.131 -15.675 178 HH22 ARG 18 HH22 ARG 18 -7.014 -2.651 -16.565 179 H GLU 19 HN GLU 19 -4.585 -0.969 -7.654 180 HA GLU 19 HA GLU 19 -3.840 1.230 -9.267 181 HB2 GLU 19 HB2 GLU 19 -3.709 0.876 -6.267 182 HB3 GLU 19 HB1 GLU 19 -3.495 2.407 -7.104 183 HG2 GLU 19 HG2 GLU 19 -5.916 1.290 -8.024 184 HG3 GLU 19 HG1 GLU 19 -5.901 1.136 -6.268 185 H PHE 20 HN PHE 20 -1.997 -0.831 -7.042 186 HA PHE 20 HA PHE 20 0.452 0.546 -7.303 187 HD1 PHE 20 HD1 PHE 20 2.061 -2.868 -7.931 188 HD2 PHE 20 HD2 PHE 20 2.029 -0.324 -4.520 189 HE1 PHE 20 HE1 PHE 20 4.491 -3.169 -7.689 190 HE2 PHE 20 HE2 PHE 20 4.458 -0.620 -4.272 191 HZ PHE 20 HZ PHE 20 5.692 -2.044 -5.857 192 HB2 PHE 20 HB2 PHE 20 0.013 -1.013 -5.462 193 HB3 PHE 20 HB1 PHE 20 -0.039 -2.356 -6.600 194 H ASN 21 HN ASN 21 -1.069 -1.973 -9.202 195 HA ASN 21 HA ASN 21 1.181 -2.800 -10.670 196 HB2 ASN 21 HB2 ASN 21 -1.756 -3.020 -10.956 197 HB3 ASN 21 HB1 ASN 21 -0.832 -3.181 -12.446 198 HD21 ASN 21 HD21 ASN 21 -2.346 -5.015 -10.453 199 HD22 ASN 21 HD22 ASN 21 -1.282 -6.368 -10.302 200 H GLU 22 HN GLU 22 -1.060 -0.131 -11.085 201 HA GLU 22 HA GLU 22 0.065 0.644 -13.632 202 HB2 GLU 22 HB2 GLU 22 -1.828 2.212 -11.877 203 HB3 GLU 22 HB1 GLU 22 -1.525 2.450 -13.593 204 HG2 GLU 22 HG2 GLU 22 -2.363 -0.014 -13.786 205 HG3 GLU 22 HG1 GLU 22 -3.102 0.327 -12.222 206 H ASN 23 HN ASN 23 0.320 1.598 -10.261 207 HA ASN 23 HA ASN 23 2.794 2.962 -10.784 208 HB2 ASN 23 HB2 ASN 23 0.478 4.507 -10.950 209 HB3 ASN 23 HB1 ASN 23 1.104 4.835 -9.337 210 HD21 ASN 23 HD21 ASN 23 3.422 5.407 -9.220 211 HD22 ASN 23 HD22 ASN 23 4.080 6.378 -10.486 212 H ARG 24 HN ARG 24 3.971 2.040 -9.237 213 HA ARG 24 HA ARG 24 2.897 1.209 -6.725 214 HE ARG 24 HE ARG 24 8.491 0.634 -7.400 215 HB2 ARG 24 HB2 ARG 24 5.263 0.659 -6.175 216 HB3 ARG 24 HB1 ARG 24 4.695 -0.061 -7.675 217 HG2 ARG 24 HG2 ARG 24 5.773 2.248 -8.592 218 HG3 ARG 24 HG1 ARG 24 6.811 1.914 -7.206 219 HD2 ARG 24 HD2 ARG 24 6.263 -0.441 -8.839 220 HD3 ARG 24 HD1 ARG 24 7.090 0.842 -9.721 221 HH11 ARG 24 HH11 ARG 24 7.555 -1.634 -9.882 222 HH12 ARG 24 HH12 ARG 24 8.944 -2.643 -9.659 223 HH21 ARG 24 HH21 ARG 24 10.318 -0.693 -7.104 224 HH22 ARG 24 HH22 ARG 24 10.513 -2.110 -8.081 225 H TYR 25 HN TYR 25 3.504 4.240 -7.738 226 HA TYR 25 HA TYR 25 4.503 5.158 -5.133 227 HD1 TYR 25 HD2 TYR 25 6.779 4.953 -5.443 228 HD2 TYR 25 HD1 TYR 25 5.927 6.323 -9.379 229 HE1 TYR 25 HE2 TYR 25 8.851 3.904 -6.250 230 HE2 TYR 25 HE1 TYR 25 7.997 5.278 -10.197 231 HH TYR 25 HH TYR 25 9.861 3.121 -8.256 232 HB2 TYR 25 HB2 TYR 25 4.396 6.733 -7.712 233 HB3 TYR 25 HB1 TYR 25 5.210 7.191 -6.221 234 H LEU 26 HN LEU 26 3.093 6.113 -3.813 235 HA LEU 26 HA LEU 26 0.458 6.795 -4.854 236 HG LEU 26 HG LEU 26 0.412 4.355 -3.133 237 HB2 LEU 26 HB2 LEU 26 1.577 6.198 -2.164 238 HB3 LEU 26 HB1 LEU 26 0.160 7.224 -2.246 239 HD11 LEU 26 HD11 LEU 26 -1.369 4.011 -1.511 240 HD12 LEU 26 HD12 LEU 26 -1.405 5.741 -1.161 241 HD13 LEU 26 HD13 LEU 26 0.019 4.785 -0.744 242 HD21 LEU 26 HD21 LEU 26 -2.051 6.055 -3.442 243 HD22 LEU 26 HD22 LEU 26 -1.757 4.425 -4.050 244 HD23 LEU 26 HD23 LEU 26 -0.907 5.795 -4.759 245 H THR 27 HN THR 27 -0.530 8.660 -3.365 246 HA THR 27 HA THR 27 1.251 10.935 -3.113 247 HB THR 27 HB THR 27 0.115 12.348 -4.641 248 HG1 THR 27 HG1 THR 27 -1.970 12.003 -4.608 249 HG21 THR 27 HG21 THR 27 0.439 11.408 -6.752 250 HG22 THR 27 HG22 THR 27 0.092 9.777 -6.177 251 HG23 THR 27 HG23 THR 27 1.593 10.578 -5.709 252 H GLU 28 HN GLU 28 -0.068 12.871 -2.259 253 HA GLU 28 HA GLU 28 -1.398 12.122 0.072 254 HB2 GLU 28 HB2 GLU 28 -0.368 14.412 -0.644 255 HB3 GLU 28 HB1 GLU 28 -1.978 14.744 -1.268 256 HG2 GLU 28 HG2 GLU 28 -2.884 14.957 0.787 257 HG3 GLU 28 HG1 GLU 28 -1.830 13.737 1.500 258 H ARG 29 HN ARG 29 -2.746 13.318 -2.988 259 HA ARG 29 HA ARG 29 -5.447 13.145 -2.287 260 HE ARG 29 HE ARG 29 -3.754 17.069 -4.584 261 HB2 ARG 29 HB2 ARG 29 -3.891 13.497 -4.737 262 HB3 ARG 29 HB1 ARG 29 -5.414 12.658 -5.003 263 HG2 ARG 29 HG2 ARG 29 -5.711 15.027 -5.322 264 HG3 ARG 29 HG1 ARG 29 -6.603 14.500 -3.894 265 HD2 ARG 29 HD2 ARG 29 -5.472 15.907 -2.596 266 HD3 ARG 29 HD1 ARG 29 -3.930 15.274 -3.171 267 HH11 ARG 29 HH11 ARG 29 -7.028 16.880 -3.390 268 HH12 ARG 29 HH12 ARG 29 -7.490 18.410 -4.053 269 HH21 ARG 29 HH21 ARG 29 -4.361 19.083 -5.456 270 HH22 ARG 29 HH22 ARG 29 -5.977 19.662 -5.227 271 H ARG 30 HN ARG 30 -3.307 10.740 -3.803 272 HA ARG 30 HA ARG 30 -5.340 8.811 -4.231 273 HE ARG 30 HE ARG 30 -3.483 6.963 -7.741 274 HB2 ARG 30 HB2 ARG 30 -2.344 8.522 -4.007 275 HB3 ARG 30 HB1 ARG 30 -3.422 7.220 -4.484 276 HG2 ARG 30 HG2 ARG 30 -4.136 8.516 -6.425 277 HG3 ARG 30 HG1 ARG 30 -3.059 9.828 -5.944 278 HD2 ARG 30 HD2 ARG 30 -1.425 8.856 -7.090 279 HD3 ARG 30 HD1 ARG 30 -1.497 7.489 -5.980 280 HH11 ARG 30 HH11 ARG 30 -0.103 7.744 -8.113 281 HH12 ARG 30 HH12 ARG 30 0.074 6.838 -9.578 282 HH21 ARG 30 HH21 ARG 30 -3.253 5.771 -9.668 283 HH22 ARG 30 HH22 ARG 30 -1.713 5.719 -10.462 284 H ARG 31 HN ARG 31 -3.071 9.376 -1.588 285 HA ARG 31 HA ARG 31 -3.631 7.028 -0.140 286 HE ARG 31 HE ARG 31 0.749 9.528 0.877 287 HB2 ARG 31 HB2 ARG 31 -2.026 9.347 0.190 288 HB3 ARG 31 HB1 ARG 31 -2.997 9.179 1.645 289 HG2 ARG 31 HG2 ARG 31 -2.164 6.955 2.007 290 HG3 ARG 31 HG1 ARG 31 -1.298 6.990 0.470 291 HD2 ARG 31 HD2 ARG 31 -0.755 9.084 2.529 292 HD3 ARG 31 HD1 ARG 31 -0.034 7.485 2.698 293 HH11 ARG 31 HH11 ARG 31 0.520 6.067 1.249 294 HH12 ARG 31 HH12 ARG 31 1.800 5.736 0.131 295 HH21 ARG 31 HH21 ARG 31 2.433 9.096 -0.594 296 HH22 ARG 31 HH22 ARG 31 2.887 7.456 -0.915 297 H GLN 32 HN GLN 32 -4.823 10.350 0.301 298 HA GLN 32 HA GLN 32 -6.684 9.743 2.323 299 HB2 GLN 32 HB2 GLN 32 -5.794 12.032 1.660 300 HB3 GLN 32 HB1 GLN 32 -6.948 11.995 0.334 301 HG2 GLN 32 HG2 GLN 32 -8.486 11.371 2.531 302 HG3 GLN 32 HG1 GLN 32 -7.356 12.576 3.147 303 HE21 GLN 32 HE21 GLN 32 -9.559 11.950 0.449 304 HE22 GLN 32 HE22 GLN 32 -10.051 13.593 0.240 305 H GLN 33 HN GLN 33 -6.903 9.715 -1.182 306 HA GLN 33 HA GLN 33 -9.717 9.451 -1.355 307 HB2 GLN 33 HB2 GLN 33 -7.424 8.940 -3.212 308 HB3 GLN 33 HB1 GLN 33 -9.024 8.350 -3.642 309 HG2 GLN 33 HG2 GLN 33 -8.502 11.213 -2.909 310 HG3 GLN 33 HG1 GLN 33 -8.356 10.607 -4.558 311 HE21 GLN 33 HE21 GLN 33 -10.411 9.001 -4.926 312 HE22 GLN 33 HE22 GLN 33 -11.917 9.814 -4.690 313 H LEU 34 HN LEU 34 -7.101 7.046 -1.584 314 HA LEU 34 HA LEU 34 -8.762 4.789 -1.760 315 HG LEU 34 HG LEU 34 -7.262 4.362 -3.361 316 HB2 LEU 34 HB2 LEU 34 -5.913 5.277 -1.052 317 HB3 LEU 34 HB1 LEU 34 -6.597 3.717 -0.640 318 HD11 LEU 34 HD11 LEU 34 -4.678 5.290 -2.555 319 HD12 LEU 34 HD12 LEU 34 -5.436 5.338 -4.146 320 HD13 LEU 34 HD13 LEU 34 -4.500 3.926 -3.657 321 HD21 LEU 34 HD21 LEU 34 -7.321 2.126 -2.847 322 HD22 LEU 34 HD22 LEU 34 -5.858 2.202 -1.865 323 HD23 LEU 34 HD23 LEU 34 -5.742 2.247 -3.624 324 H SER 35 HN SER 35 -7.490 6.570 0.987 325 HA SER 35 HA SER 35 -8.128 4.745 3.017 326 HG SER 35 HG SER 35 -6.011 7.281 2.740 327 HB2 SER 35 HB2 SER 35 -8.041 7.772 3.128 328 HB3 SER 35 HB1 SER 35 -8.048 6.702 4.530 329 H SER 36 HN SER 36 -9.968 7.481 1.708 330 HA SER 36 HA SER 36 -12.269 7.005 3.317 331 HG SER 36 HG SER 36 -13.896 9.606 2.032 332 HB2 SER 36 HB2 SER 36 -11.849 9.223 2.425 333 HB3 SER 36 HB1 SER 36 -11.926 8.609 0.773 334 H GLU 37 HN GLU 37 -11.359 6.134 0.020 335 HA GLU 37 HA GLU 37 -13.841 5.065 -0.769 336 HB2 GLU 37 HB2 GLU 37 -11.504 5.595 -2.036 337 HB3 GLU 37 HB1 GLU 37 -11.417 3.843 -1.928 338 HG2 GLU 37 HG2 GLU 37 -13.046 3.537 -3.437 339 HG3 GLU 37 HG1 GLU 37 -13.992 4.906 -2.852 340 H LEU 38 HN LEU 38 -10.881 3.346 0.244 341 HA LEU 38 HA LEU 38 -12.355 0.871 0.505 342 HG LEU 38 HG LEU 38 -10.206 1.304 -1.438 343 HB2 LEU 38 HB2 LEU 38 -9.473 1.622 0.917 344 HB3 LEU 38 HB1 LEU 38 -10.087 0.025 1.293 345 HD11 LEU 38 HD11 LEU 38 -7.904 0.730 -0.521 346 HD12 LEU 38 HD12 LEU 38 -8.353 0.011 -2.067 347 HD13 LEU 38 HD13 LEU 38 -8.418 -0.955 -0.593 348 HD21 LEU 38 HD21 LEU 38 -11.749 -0.265 -1.800 349 HD22 LEU 38 HD22 LEU 38 -11.406 -1.074 -0.271 350 HD23 LEU 38 HD23 LEU 38 -10.431 -1.431 -1.697 351 H GLY 39 HN GLY 39 -11.692 3.503 2.524 352 HA2 GLY 39 HA2 GLY 39 -12.256 3.846 4.733 353 HA3 GLY 39 HA1 GLY 39 -12.893 2.209 4.775 354 H LEU 40 HN LEU 40 -9.605 3.200 3.954 355 HA LEU 40 HA LEU 40 -8.658 1.726 6.327 356 HG LEU 40 HG LEU 40 -8.950 -0.118 4.667 357 HB2 LEU 40 HB2 LEU 40 -7.599 1.904 3.530 358 HB3 LEU 40 HB1 LEU 40 -6.507 1.556 4.857 359 HD11 LEU 40 HD11 LEU 40 -7.833 -1.597 3.018 360 HD12 LEU 40 HD12 LEU 40 -6.642 -0.326 2.740 361 HD13 LEU 40 HD13 LEU 40 -8.339 -0.046 2.347 362 HD21 LEU 40 HD21 LEU 40 -7.634 -1.713 5.694 363 HD22 LEU 40 HD22 LEU 40 -6.971 -0.219 6.354 364 HD23 LEU 40 HD23 LEU 40 -6.135 -1.051 5.042 365 H ASN 41 HN ASN 41 -6.499 2.437 7.124 366 HA ASN 41 HA ASN 41 -6.483 5.315 7.399 367 HB2 ASN 41 HB2 ASN 41 -5.794 3.216 9.066 368 HB3 ASN 41 HB1 ASN 41 -4.233 3.885 8.602 369 HD21 ASN 41 HD21 ASN 41 -3.505 5.448 9.836 370 HD22 ASN 41 HD22 ASN 41 -4.458 6.512 10.808 371 H GLU 42 HN GLU 42 -5.066 6.718 6.508 372 HA GLU 42 HA GLU 42 -3.723 6.165 4.171 373 HB2 GLU 42 HB2 GLU 42 -3.269 8.322 6.225 374 HB3 GLU 42 HB1 GLU 42 -2.385 8.272 4.706 375 HG2 GLU 42 HG2 GLU 42 -4.514 8.380 3.486 376 HG3 GLU 42 HG1 GLU 42 -5.370 8.492 5.024 377 H ALA 43 HN ALA 43 -2.530 5.961 7.474 378 HA ALA 43 HA ALA 43 0.200 5.604 6.862 379 HB1 ALA 43 HB1 ALA 43 -1.314 5.814 9.170 380 HB2 ALA 43 HB2 ALA 43 0.431 5.575 9.079 381 HB3 ALA 43 HB3 ALA 43 -0.641 4.185 9.248 382 H GLN 44 HN GLN 44 -2.488 3.343 7.179 383 HA GLN 44 HA GLN 44 -0.909 0.986 7.013 384 HB2 GLN 44 HB2 GLN 44 -3.775 1.662 7.006 385 HB3 GLN 44 HB1 GLN 44 -3.367 0.212 6.099 386 HG2 GLN 44 HG2 GLN 44 -3.869 -0.539 8.249 387 HG3 GLN 44 HG1 GLN 44 -2.108 -0.545 8.167 388 HE21 GLN 44 HE21 GLN 44 -4.840 1.464 9.173 389 HE22 GLN 44 HE22 GLN 44 -4.041 2.185 10.524 390 H ILE 45 HN ILE 45 -2.749 2.864 4.632 391 HA ILE 45 HA ILE 45 -2.231 1.171 2.433 392 HB ILE 45 HB ILE 45 -2.703 4.151 2.319 393 HG12 ILE 45 HG12 ILE 45 -4.982 2.334 1.893 394 HG13 ILE 45 HG11 ILE 45 -4.375 2.367 3.546 395 HG21 ILE 45 HG21 ILE 45 -3.967 2.945 0.186 396 HG22 ILE 45 HG22 ILE 45 -2.460 2.042 0.335 397 HG23 ILE 45 HG23 ILE 45 -2.422 3.794 0.137 398 HD11 ILE 45 HD11 ILE 45 -6.190 4.102 2.475 399 HD12 ILE 45 HD12 ILE 45 -4.684 5.016 2.380 400 HD13 ILE 45 HD13 ILE 45 -5.235 4.383 3.931 401 H LYS 46 HN LYS 46 -0.567 4.020 3.716 402 HA LYS 46 HA LYS 46 1.348 4.322 1.702 403 HB2 LYS 46 HB2 LYS 46 0.887 5.953 3.538 404 HB3 LYS 46 HB1 LYS 46 1.725 4.878 4.649 405 HG2 LYS 46 HG2 LYS 46 3.737 5.096 3.134 406 HG3 LYS 46 HG1 LYS 46 2.869 6.408 2.333 407 HD2 LYS 46 HD2 LYS 46 3.070 6.493 5.295 408 HD3 LYS 46 HD1 LYS 46 4.531 6.835 4.366 409 HE2 LYS 46 HE2 LYS 46 3.268 8.542 3.093 410 HE3 LYS 46 HE1 LYS 46 1.873 8.241 4.128 411 HZ1 LYS 46 HZ1 LYS 46 3.817 8.709 5.924 412 HZ2 LYS 46 HZ2 LYS 46 2.739 9.881 5.355 413 HZ3 LYS 46 HZ3 LYS 46 4.278 9.744 4.666 414 H ILE 47 HN ILE 47 1.456 2.415 4.702 415 HA ILE 47 HA ILE 47 4.090 1.450 4.338 416 HB ILE 47 HB ILE 47 1.812 0.204 5.888 417 HG12 ILE 47 HG12 ILE 47 4.100 1.753 7.063 418 HG13 ILE 47 HG11 ILE 47 2.688 2.598 6.440 419 HG21 ILE 47 HG21 ILE 47 3.366 -1.514 5.643 420 HG22 ILE 47 HG22 ILE 47 3.796 -0.787 7.191 421 HG23 ILE 47 HG23 ILE 47 4.741 -0.415 5.749 422 HD11 ILE 47 HD11 ILE 47 1.485 2.097 8.239 423 HD12 ILE 47 HD12 ILE 47 3.007 1.606 8.982 424 HD13 ILE 47 HD13 ILE 47 1.979 0.405 8.200 425 H TRP 48 HN TRP 48 0.933 0.256 3.331 426 HA TRP 48 HA TRP 48 1.723 -2.289 2.454 427 HD1 TRP 48 HD1 TRP 48 -0.818 -4.209 2.362 428 HE1 TRP 48 HE1 TRP 48 -1.382 -5.610 0.278 429 HE3 TRP 48 HE3 TRP 48 -0.199 -0.614 -1.230 430 HZ2 TRP 48 HZ2 TRP 48 -1.545 -5.244 -2.512 431 HZ3 TRP 48 HZ3 TRP 48 -0.576 -1.227 -3.582 432 HH2 TRP 48 HH2 TRP 48 -1.236 -3.493 -4.209 433 HB2 TRP 48 HB2 TRP 48 -0.637 -1.580 2.753 434 HB3 TRP 48 HB1 TRP 48 -0.486 -0.550 1.332 435 H PHE 49 HN PHE 49 1.486 0.792 0.703 436 HA PHE 49 HA PHE 49 2.282 -0.216 -1.804 437 HD1 PHE 49 HD1 PHE 49 -0.444 1.888 -1.113 438 HD2 PHE 49 HD2 PHE 49 2.546 2.013 -4.136 439 HE1 PHE 49 HE1 PHE 49 -2.198 1.966 -2.837 440 HE2 PHE 49 HE2 PHE 49 0.799 2.092 -5.866 441 HZ PHE 49 HZ PHE 49 -1.576 2.070 -5.218 442 HB2 PHE 49 HB2 PHE 49 1.873 2.422 -0.586 443 HB3 PHE 49 HB1 PHE 49 3.110 2.406 -1.839 444 H GLN 50 HN GLN 50 4.116 1.248 0.852 445 HA GLN 50 HA GLN 50 6.619 1.269 -0.439 446 HB2 GLN 50 HB2 GLN 50 5.652 1.511 2.353 447 HB3 GLN 50 HB1 GLN 50 7.334 1.042 2.149 448 HG2 GLN 50 HG2 GLN 50 7.898 3.140 1.764 449 HG3 GLN 50 HG1 GLN 50 6.791 3.208 0.393 450 HE21 GLN 50 HE21 GLN 50 6.445 3.055 3.926 451 HE22 GLN 50 HE22 GLN 50 5.360 4.393 4.048 452 H ASN 51 HN ASN 51 5.045 -1.146 1.624 453 HA ASN 51 HA ASN 51 7.222 -2.943 1.724 454 HB2 ASN 51 HB2 ASN 51 4.380 -2.970 2.464 455 HB3 ASN 51 HB1 ASN 51 5.008 -4.547 1.997 456 HD21 ASN 51 HD21 ASN 51 4.785 -2.239 4.440 457 HD22 ASN 51 HD22 ASN 51 5.876 -2.963 5.568 458 H LYS 52 HN LYS 52 4.446 -2.665 -0.448 459 HA LYS 52 HA LYS 52 4.997 -5.007 -1.939 460 HB2 LYS 52 HB2 LYS 52 2.927 -3.205 -1.826 461 HB3 LYS 52 HB1 LYS 52 3.640 -2.856 -3.393 462 HG2 LYS 52 HG2 LYS 52 1.835 -4.482 -3.564 463 HG3 LYS 52 HG1 LYS 52 3.381 -5.176 -4.057 464 HD2 LYS 52 HD2 LYS 52 2.609 -6.863 -2.720 465 HD3 LYS 52 HD1 LYS 52 3.460 -5.899 -1.515 466 HE2 LYS 52 HE2 LYS 52 1.263 -4.735 -1.081 467 HE3 LYS 52 HE1 LYS 52 0.507 -5.984 -2.070 468 HZ1 LYS 52 HZ1 LYS 52 0.652 -6.275 0.485 469 HZ2 LYS 52 HZ2 LYS 52 2.242 -6.760 0.175 470 HZ3 LYS 52 HZ3 LYS 52 0.951 -7.603 -0.521 471 H ARG 53 HN ARG 53 6.205 -1.753 -2.071 472 HA ARG 53 HA ARG 53 7.280 -1.892 -4.706 473 HE ARG 53 HE ARG 53 8.118 2.842 -3.126 474 HB2 ARG 53 HB2 ARG 53 7.258 0.002 -2.498 475 HB3 ARG 53 HB1 ARG 53 8.822 -0.047 -3.301 476 HG2 ARG 53 HG2 ARG 53 7.030 0.022 -5.396 477 HG3 ARG 53 HG1 ARG 53 6.305 1.088 -4.191 478 HD2 ARG 53 HD2 ARG 53 9.020 1.283 -5.462 479 HD3 ARG 53 HD1 ARG 53 7.704 2.451 -5.520 480 HH11 ARG 53 HH11 ARG 53 10.673 1.388 -5.026 481 HH12 ARG 53 HH12 ARG 53 11.927 1.921 -3.962 482 HH21 ARG 53 HH21 ARG 53 9.774 3.536 -1.738 483 HH22 ARG 53 HH22 ARG 53 11.421 3.137 -2.100 484 H ALA 54 HN ALA 54 8.467 -2.701 -1.507 485 HA ALA 54 HA ALA 54 11.188 -3.057 -2.237 486 HB1 ALA 54 HB1 ALA 54 11.532 -3.532 -0.061 487 HB2 ALA 54 HB2 ALA 54 10.153 -4.629 0.028 488 HB3 ALA 54 HB3 ALA 54 9.900 -2.886 0.120 489 H LYS 55 HN LYS 55 8.399 -4.941 -2.796 490 HA LYS 55 HA LYS 55 9.649 -7.510 -2.808 491 HB2 LYS 55 HB2 LYS 55 7.006 -6.404 -3.593 492 HB3 LYS 55 HB1 LYS 55 7.488 -7.924 -4.334 493 HG2 LYS 55 HG2 LYS 55 7.635 -9.009 -2.242 494 HG3 LYS 55 HG1 LYS 55 7.528 -7.481 -1.364 495 HD2 LYS 55 HD2 LYS 55 5.242 -7.645 -3.013 496 HD3 LYS 55 HD1 LYS 55 5.424 -9.217 -2.232 497 HE2 LYS 55 HE2 LYS 55 5.351 -6.541 -0.844 498 HE3 LYS 55 HE1 LYS 55 4.040 -7.719 -0.891 499 HZ1 LYS 55 HZ1 LYS 55 6.527 -7.760 0.640 500 HZ2 LYS 55 HZ2 LYS 55 5.930 -9.245 0.093 501 HZ3 LYS 55 HZ3 LYS 55 4.974 -8.263 1.082 502 H ILE 56 HN ILE 56 8.614 -5.286 -5.393 503 HA ILE 56 HA ILE 56 9.830 -6.895 -7.441 504 HB ILE 56 HB ILE 56 8.858 -4.048 -7.679 505 HG12 ILE 56 HG12 ILE 56 6.868 -5.490 -8.763 506 HG13 ILE 56 HG11 ILE 56 7.404 -6.635 -7.538 507 HG21 ILE 56 HG21 ILE 56 9.205 -6.209 -9.752 508 HG22 ILE 56 HG22 ILE 56 10.285 -4.837 -9.511 509 HG23 ILE 56 HG23 ILE 56 8.624 -4.570 -10.041 510 HD11 ILE 56 HD11 ILE 56 7.015 -3.866 -6.625 511 HD12 ILE 56 HD12 ILE 56 6.606 -5.394 -5.844 512 HD13 ILE 56 HD13 ILE 56 5.563 -4.742 -7.108 513 H LYS 57 HN LYS 57 10.611 -3.868 -5.781 514 HA LYS 57 HA LYS 57 12.538 -2.675 -5.606 515 HB2 LYS 57 HB2 LYS 57 13.277 -5.225 -5.217 516 HB3 LYS 57 HB1 LYS 57 14.217 -4.883 -6.663 517 HG2 LYS 57 HG2 LYS 57 15.765 -4.041 -5.314 518 HG3 LYS 57 HG1 LYS 57 14.669 -2.683 -5.050 519 HD2 LYS 57 HD2 LYS 57 14.920 -3.283 -2.882 520 HD3 LYS 57 HD1 LYS 57 13.648 -4.436 -3.291 521 HE2 LYS 57 HE2 LYS 57 16.594 -5.042 -3.475 522 HE3 LYS 57 HE1 LYS 57 15.602 -5.413 -2.065 523 HZ1 LYS 57 HZ1 LYS 57 15.925 -7.274 -3.689 524 HZ2 LYS 57 HZ2 LYS 57 14.969 -6.410 -4.784 525 HZ3 LYS 57 HZ3 LYS 57 14.312 -6.924 -3.313 526 H LYS 58 HN LYS 58 14.723 -2.233 -6.961 527 HA LYS 58 HA LYS 58 13.761 -1.462 -9.597 528 HB2 LYS 58 HB2 LYS 58 15.953 -0.595 -7.789 529 HB3 LYS 58 HB1 LYS 58 16.221 -0.401 -9.516 530 HG2 LYS 58 HG2 LYS 58 14.906 1.383 -9.601 531 HG3 LYS 58 HG1 LYS 58 13.603 0.547 -8.754 532 HD2 LYS 58 HD2 LYS 58 14.465 1.149 -6.636 533 HD3 LYS 58 HD1 LYS 58 16.004 1.667 -7.328 534 HE2 LYS 58 HE2 LYS 58 14.733 3.448 -8.560 535 HE3 LYS 58 HE1 LYS 58 13.318 3.001 -7.608 536 HZ1 LYS 58 HZ1 LYS 58 14.133 4.623 -6.285 537 HZ2 LYS 58 HZ2 LYS 58 15.732 4.416 -6.794 538 HZ3 LYS 58 HZ3 LYS 58 15.060 3.351 -5.664 539 H SER 59 HN SER 59 16.562 -3.154 -8.198 540 HA SER 59 HA SER 59 17.965 -4.732 -9.043 541 HG SER 59 HG SER 59 16.807 -7.389 -10.800 542 HB2 SER 59 HB2 SER 59 15.501 -5.569 -9.770 543 HB3 SER 59 HB1 SER 59 16.238 -5.382 -11.362 Start of MODEL 14 1 HA MET -1 HA MET -1 14.105 1.304 19.977 2 H1 MET -1 HT1 MET -1 16.008 -0.411 18.579 3 H2 MET -1 HT2 MET -1 14.458 -1.001 19.020 4 H3 MET -1 HT3 MET -1 15.529 -0.415 20.225 5 HB2 MET -1 HB2 MET -1 16.686 1.628 19.340 6 HB3 MET -1 HB1 MET -1 15.970 2.164 17.826 7 HG2 MET -1 HG2 MET -1 15.051 4.025 18.753 8 HG3 MET -1 HG1 MET -1 14.876 3.284 20.342 9 HE1 MET -1 HE1 MET -1 18.469 3.189 18.438 10 HE2 MET -1 HE2 MET -1 18.797 4.916 18.587 11 HE3 MET -1 HE3 MET -1 17.385 4.361 17.687 12 H ASP 0 HN ASP 0 12.120 0.850 19.100 13 HA ASP 0 HA ASP 0 11.761 1.633 16.319 14 HB2 ASP 0 HB2 ASP 0 10.367 -0.330 15.808 15 HB3 ASP 0 HB1 ASP 0 12.020 -0.799 16.194 16 H GLU 1 HN GLU 1 10.092 2.973 16.155 17 HA GLU 1 HA GLU 1 8.258 3.219 18.412 18 HB2 GLU 1 HB2 GLU 1 7.604 5.343 17.407 19 HB3 GLU 1 HB1 GLU 1 9.353 5.248 17.562 20 HG2 GLU 1 HG2 GLU 1 9.008 4.277 15.059 21 HG3 GLU 1 HG1 GLU 1 7.673 5.424 15.166 22 H LYS 2 HN LYS 2 8.295 2.322 15.035 23 HA LYS 2 HA LYS 2 5.432 2.300 14.767 24 HB2 LYS 2 HB2 LYS 2 7.081 2.689 12.884 25 HB3 LYS 2 HB1 LYS 2 7.440 0.970 12.953 26 HG2 LYS 2 HG2 LYS 2 5.882 1.101 11.257 27 HG3 LYS 2 HG1 LYS 2 4.895 0.659 12.652 28 HD2 LYS 2 HD2 LYS 2 5.125 3.516 12.486 29 HD3 LYS 2 HD1 LYS 2 4.577 2.870 10.939 30 HE2 LYS 2 HE2 LYS 2 3.222 1.593 13.149 31 HE3 LYS 2 HE1 LYS 2 3.032 3.344 13.211 32 HZ1 LYS 2 HZ1 LYS 2 1.562 1.645 11.690 33 HZ2 LYS 2 HZ2 LYS 2 2.670 2.269 10.576 34 HZ3 LYS 2 HZ3 LYS 2 1.680 3.317 11.460 35 H ARG 3 HN ARG 3 4.099 0.489 14.544 36 HA ARG 3 HA ARG 3 5.208 -2.035 15.585 37 HE ARG 3 HE ARG 3 5.344 -3.323 19.970 38 HB2 ARG 3 HB2 ARG 3 2.789 -0.498 16.407 39 HB3 ARG 3 HB1 ARG 3 2.686 -2.253 16.416 40 HG2 ARG 3 HG2 ARG 3 4.693 -0.584 17.919 41 HG3 ARG 3 HG1 ARG 3 3.291 -1.406 18.606 42 HD2 ARG 3 HD2 ARG 3 4.633 -3.398 17.227 43 HD3 ARG 3 HD1 ARG 3 5.923 -2.443 17.954 44 HH11 ARG 3 HH11 ARG 3 2.589 -3.591 17.845 45 HH12 ARG 3 HH12 ARG 3 1.636 -4.476 18.988 46 HH21 ARG 3 HH21 ARG 3 4.093 -4.491 21.473 47 HH22 ARG 3 HH22 ARG 3 2.489 -4.988 21.047 48 HA PRO 4 HA PRO 4 3.742 -4.019 11.917 49 HB2 PRO 4 HB2 PRO 4 2.796 -6.159 13.768 50 HB3 PRO 4 HB1 PRO 4 3.813 -6.286 12.327 51 HG2 PRO 4 HG2 PRO 4 4.891 -6.464 14.748 52 HG3 PRO 4 HG1 PRO 4 5.721 -5.581 13.453 53 HD2 PRO 4 HD2 PRO 4 4.183 -4.527 15.787 54 HD3 PRO 4 HD1 PRO 4 5.659 -3.893 15.030 55 H ARG 5 HN ARG 5 1.978 -3.186 10.988 56 HA ARG 5 HA ARG 5 -0.642 -3.924 12.063 57 HE ARG 5 HE ARG 5 -1.538 -2.817 14.118 58 HB2 ARG 5 HB2 ARG 5 -0.011 -1.601 12.831 59 HB3 ARG 5 HB1 ARG 5 -0.030 -1.116 11.141 60 HG2 ARG 5 HG2 ARG 5 -2.218 -0.813 11.211 61 HG3 ARG 5 HG1 ARG 5 -2.465 -2.477 11.747 62 HD2 ARG 5 HD2 ARG 5 -1.855 -0.104 13.507 63 HD3 ARG 5 HD1 ARG 5 -3.419 -0.902 13.340 64 HH11 ARG 5 HH11 ARG 5 -3.094 0.030 15.402 65 HH12 ARG 5 HH12 ARG 5 -2.991 -0.502 17.046 66 HH21 ARG 5 HH21 ARG 5 -1.402 -3.520 16.280 67 HH22 ARG 5 HH22 ARG 5 -2.031 -2.518 17.545 68 H THR 6 HN THR 6 -1.094 -5.309 10.405 69 HA THR 6 HA THR 6 -1.738 -4.090 7.856 70 HB THR 6 HB THR 6 -0.186 -6.596 7.569 71 HG1 THR 6 HG1 THR 6 1.780 -5.485 7.676 72 HG21 THR 6 HG21 THR 6 -0.019 -5.947 5.463 73 HG22 THR 6 HG22 THR 6 0.622 -4.373 5.930 74 HG23 THR 6 HG23 THR 6 -1.121 -4.627 5.854 75 H ALA 7 HN ALA 7 -3.811 -4.654 7.721 76 HA ALA 7 HA ALA 7 -4.538 -7.417 7.484 77 HB1 ALA 7 HB1 ALA 7 -4.772 -7.600 9.757 78 HB2 ALA 7 HB2 ALA 7 -6.385 -7.039 9.316 79 HB3 ALA 7 HB3 ALA 7 -5.201 -5.901 9.959 80 H PHE 8 HN PHE 8 -5.442 -6.997 5.520 81 HA PHE 8 HA PHE 8 -7.761 -5.181 5.510 82 HD1 PHE 8 HD2 PHE 8 -6.592 -3.450 6.004 83 HD2 PHE 8 HD1 PHE 8 -4.132 -4.340 2.647 84 HE1 PHE 8 HE2 PHE 8 -4.948 -1.788 6.774 85 HE2 PHE 8 HE1 PHE 8 -2.485 -2.679 3.411 86 HZ PHE 8 HZ PHE 8 -2.891 -1.403 5.474 87 HB2 PHE 8 HB2 PHE 8 -5.975 -5.700 3.131 88 HB3 PHE 8 HB1 PHE 8 -7.255 -4.499 3.269 89 H SER 9 HN SER 9 -8.742 -5.760 3.007 90 HA SER 9 HA SER 9 -9.500 -8.596 3.279 91 HG SER 9 HG SER 9 -10.663 -5.568 1.709 92 HB2 SER 9 HB2 SER 9 -11.681 -8.070 2.583 93 HB3 SER 9 HB1 SER 9 -11.255 -6.719 3.634 94 H SER 10 HN SER 10 -9.932 -9.778 1.326 95 HA SER 10 HA SER 10 -7.994 -9.548 -0.643 96 HG SER 10 HG SER 10 -9.049 -11.759 0.694 97 HB2 SER 10 HB2 SER 10 -10.581 -10.742 -1.469 98 HB3 SER 10 HB1 SER 10 -8.946 -11.395 -1.588 99 H GLU 11 HN GLU 11 -11.268 -8.243 -0.539 100 HA GLU 11 HA GLU 11 -11.428 -7.320 -3.185 101 HB2 GLU 11 HB2 GLU 11 -12.844 -6.801 -0.649 102 HB3 GLU 11 HB1 GLU 11 -12.900 -5.480 -1.809 103 HG2 GLU 11 HG2 GLU 11 -13.434 -7.937 -3.160 104 HG3 GLU 11 HG1 GLU 11 -14.474 -7.809 -1.741 105 H GLN 12 HN GLN 12 -10.355 -5.700 -0.212 106 HA GLN 12 HA GLN 12 -9.635 -3.265 -1.486 107 HB2 GLN 12 HB2 GLN 12 -8.672 -4.473 1.116 108 HB3 GLN 12 HB1 GLN 12 -8.353 -2.823 0.599 109 HG2 GLN 12 HG2 GLN 12 -10.580 -2.190 0.840 110 HG3 GLN 12 HG1 GLN 12 -11.150 -3.857 0.847 111 HE21 GLN 12 HE21 GLN 12 -11.934 -2.055 2.774 112 HE22 GLN 12 HE22 GLN 12 -11.254 -2.511 4.296 113 H LEU 13 HN LEU 13 -8.033 -6.304 -0.919 114 HA LEU 13 HA LEU 13 -5.383 -5.512 -1.487 115 HG LEU 13 HG LEU 13 -5.155 -8.797 0.140 116 HB2 LEU 13 HB2 LEU 13 -6.885 -8.060 -1.308 117 HB3 LEU 13 HB1 LEU 13 -5.407 -8.100 -2.248 118 HD11 LEU 13 HD11 LEU 13 -3.110 -8.311 -0.678 119 HD12 LEU 13 HD12 LEU 13 -3.227 -6.990 0.486 120 HD13 LEU 13 HD13 LEU 13 -3.582 -6.700 -1.217 121 HD21 LEU 13 HD21 LEU 13 -4.871 -6.489 1.539 122 HD22 LEU 13 HD22 LEU 13 -6.294 -7.529 1.602 123 HD23 LEU 13 HD23 LEU 13 -6.281 -6.116 0.549 124 H ALA 14 HN ALA 14 -8.017 -6.762 -3.488 125 HA ALA 14 HA ALA 14 -6.577 -6.959 -5.900 126 HB1 ALA 14 HB1 ALA 14 -8.614 -7.373 -6.932 127 HB2 ALA 14 HB2 ALA 14 -9.500 -6.318 -5.832 128 HB3 ALA 14 HB3 ALA 14 -8.914 -7.885 -5.272 129 H ARG 15 HN ARG 15 -8.659 -4.382 -4.601 130 HA ARG 15 HA ARG 15 -8.349 -2.608 -6.765 131 HE ARG 15 HE ARG 15 -11.917 -1.506 -3.900 132 HB2 ARG 15 HB2 ARG 15 -9.644 -2.601 -4.240 133 HB3 ARG 15 HB1 ARG 15 -8.653 -1.151 -4.312 134 HG2 ARG 15 HG2 ARG 15 -10.460 -0.280 -5.314 135 HG3 ARG 15 HG1 ARG 15 -9.801 -1.069 -6.749 136 HD2 ARG 15 HD2 ARG 15 -12.040 -1.731 -6.713 137 HD3 ARG 15 HD1 ARG 15 -11.173 -3.106 -6.030 138 HH11 ARG 15 HH11 ARG 15 -13.510 -3.312 -6.425 139 HH12 ARG 15 HH12 ARG 15 -14.924 -3.629 -5.479 140 HH21 ARG 15 HH21 ARG 15 -13.778 -1.921 -2.654 141 HH22 ARG 15 HH22 ARG 15 -15.078 -2.838 -3.338 142 H LEU 16 HN LEU 16 -6.605 -2.883 -3.687 143 HA LEU 16 HA LEU 16 -4.852 -0.727 -4.074 144 HG LEU 16 HG LEU 16 -6.061 -1.070 -1.801 145 HB2 LEU 16 HB2 LEU 16 -4.691 -3.245 -2.442 146 HB3 LEU 16 HB1 LEU 16 -3.354 -2.112 -2.488 147 HD11 LEU 16 HD11 LEU 16 -5.968 -1.751 0.435 148 HD12 LEU 16 HD12 LEU 16 -4.298 -2.302 0.291 149 HD13 LEU 16 HD13 LEU 16 -5.595 -3.208 -0.486 150 HD21 LEU 16 HD21 LEU 16 -3.305 -0.426 -0.762 151 HD22 LEU 16 HD22 LEU 16 -4.788 0.485 -0.478 152 HD23 LEU 16 HD23 LEU 16 -4.096 0.411 -2.098 153 H LYS 17 HN LYS 17 -4.553 -4.162 -4.890 154 HA LYS 17 HA LYS 17 -1.926 -4.079 -5.880 155 HB2 LYS 17 HB2 LYS 17 -4.236 -5.924 -6.108 156 HB3 LYS 17 HB1 LYS 17 -3.003 -6.065 -7.353 157 HG2 LYS 17 HG2 LYS 17 -1.335 -6.186 -5.409 158 HG3 LYS 17 HG1 LYS 17 -2.751 -6.500 -4.402 159 HD2 LYS 17 HD2 LYS 17 -3.307 -8.329 -6.125 160 HD3 LYS 17 HD1 LYS 17 -1.631 -8.147 -6.646 161 HE2 LYS 17 HE2 LYS 17 -1.074 -8.432 -4.135 162 HE3 LYS 17 HE1 LYS 17 -2.702 -9.099 -4.017 163 HZ1 LYS 17 HZ1 LYS 17 -0.903 -10.127 -6.094 164 HZ2 LYS 17 HZ2 LYS 17 -2.150 -10.914 -5.266 165 HZ3 LYS 17 HZ3 LYS 17 -0.670 -10.635 -4.496 166 H ARG 18 HN ARG 18 -5.044 -3.487 -7.418 167 HA ARG 18 HA ARG 18 -4.150 -3.316 -10.073 168 HE ARG 18 HE ARG 18 -9.700 -3.779 -9.830 169 HB2 ARG 18 HB2 ARG 18 -6.557 -2.557 -8.568 170 HB3 ARG 18 HB1 ARG 18 -6.247 -1.549 -9.976 171 HG2 ARG 18 HG2 ARG 18 -5.998 -3.746 -11.263 172 HG3 ARG 18 HG1 ARG 18 -6.758 -4.499 -9.859 173 HD2 ARG 18 HD2 ARG 18 -8.258 -2.184 -10.581 174 HD3 ARG 18 HD1 ARG 18 -7.994 -3.159 -12.027 175 HH11 ARG 18 HH11 ARG 18 -7.656 -5.209 -12.271 176 HH12 ARG 18 HH12 ARG 18 -8.515 -6.712 -12.289 177 HH21 ARG 18 HH21 ARG 18 -10.831 -5.756 -9.851 178 HH22 ARG 18 HH22 ARG 18 -10.317 -7.023 -10.915 179 H GLU 19 HN GLU 19 -4.525 -0.834 -7.565 180 HA GLU 19 HA GLU 19 -3.712 1.347 -9.161 181 HB2 GLU 19 HB2 GLU 19 -3.781 0.882 -6.188 182 HB3 GLU 19 HB1 GLU 19 -3.164 2.383 -6.867 183 HG2 GLU 19 HG2 GLU 19 -5.896 1.323 -7.511 184 HG3 GLU 19 HG1 GLU 19 -5.580 2.371 -6.130 185 H PHE 20 HN PHE 20 -1.951 -1.001 -7.240 186 HA PHE 20 HA PHE 20 0.560 0.291 -7.256 187 HD1 PHE 20 HD1 PHE 20 2.256 -0.709 -5.060 188 HD2 PHE 20 HD2 PHE 20 1.820 -3.555 -8.194 189 HE1 PHE 20 HE1 PHE 20 4.656 -1.226 -4.918 190 HE2 PHE 20 HE2 PHE 20 4.221 -4.078 -8.058 191 HZ PHE 20 HZ PHE 20 5.642 -2.913 -6.418 192 HB2 PHE 20 HB2 PHE 20 0.061 -1.553 -5.725 193 HB3 PHE 20 HB1 PHE 20 -0.101 -2.659 -7.085 194 H ASN 21 HN ASN 21 -0.992 -1.973 -9.466 195 HA ASN 21 HA ASN 21 1.225 -2.404 -11.158 196 HB2 ASN 21 HB2 ASN 21 -1.748 -2.685 -11.531 197 HB3 ASN 21 HB1 ASN 21 -0.628 -2.992 -12.855 198 HD21 ASN 21 HD21 ASN 21 -2.407 -4.514 -10.691 199 HD22 ASN 21 HD22 ASN 21 -1.432 -5.904 -10.372 200 H GLU 22 HN GLU 22 -1.051 0.196 -10.877 201 HA GLU 22 HA GLU 22 -0.463 1.309 -13.477 202 HB2 GLU 22 HB2 GLU 22 -2.277 1.932 -11.227 203 HB3 GLU 22 HB1 GLU 22 -1.714 3.319 -12.149 204 HG2 GLU 22 HG2 GLU 22 -2.802 2.671 -14.055 205 HG3 GLU 22 HG1 GLU 22 -2.785 0.964 -13.616 206 H ASN 23 HN ASN 23 0.393 1.957 -10.109 207 HA ASN 23 HA ASN 23 2.805 3.288 -10.941 208 HB2 ASN 23 HB2 ASN 23 2.275 5.361 -9.583 209 HB3 ASN 23 HB1 ASN 23 1.404 5.206 -11.106 210 HD21 ASN 23 HD21 ASN 23 -0.737 5.320 -11.078 211 HD22 ASN 23 HD22 ASN 23 -1.721 5.298 -9.659 212 H ARG 24 HN ARG 24 4.325 2.591 -9.612 213 HA ARG 24 HA ARG 24 3.703 1.275 -7.156 214 HE ARG 24 HE ARG 24 7.240 -0.646 -10.954 215 HB2 ARG 24 HB2 ARG 24 6.423 2.092 -8.177 216 HB3 ARG 24 HB1 ARG 24 6.068 0.846 -6.988 217 HG2 ARG 24 HG2 ARG 24 4.688 -0.228 -8.906 218 HG3 ARG 24 HG1 ARG 24 5.672 0.803 -9.945 219 HD2 ARG 24 HD2 ARG 24 7.638 -0.211 -8.517 220 HD3 ARG 24 HD1 ARG 24 6.472 -1.502 -8.240 221 HH11 ARG 24 HH11 ARG 24 6.761 -3.174 -8.580 222 HH12 ARG 24 HH12 ARG 24 7.044 -4.450 -9.712 223 HH21 ARG 24 HH21 ARG 24 7.610 -2.332 -12.428 224 HH22 ARG 24 HH22 ARG 24 7.526 -3.977 -11.890 225 H TYR 25 HN TYR 25 3.715 4.474 -7.765 226 HA TYR 25 HA TYR 25 4.662 5.130 -5.057 227 HD1 TYR 25 HD2 TYR 25 7.025 6.574 -4.541 228 HD2 TYR 25 HD1 TYR 25 6.680 5.426 -8.623 229 HE1 TYR 25 HE2 TYR 25 9.370 5.836 -4.524 230 HE2 TYR 25 HE1 TYR 25 9.024 4.684 -8.619 231 HH TYR 25 HH TYR 25 10.822 4.240 -7.323 232 HB2 TYR 25 HB2 TYR 25 4.968 6.711 -7.612 233 HB3 TYR 25 HB1 TYR 25 5.184 7.424 -6.019 234 H LEU 26 HN LEU 26 3.231 6.158 -3.782 235 HA LEU 26 HA LEU 26 0.634 6.823 -4.941 236 HG LEU 26 HG LEU 26 0.398 4.367 -3.337 237 HB2 LEU 26 HB2 LEU 26 1.615 6.106 -2.235 238 HB3 LEU 26 HB1 LEU 26 0.247 7.197 -2.311 239 HD11 LEU 26 HD11 LEU 26 -1.361 5.728 -1.296 240 HD12 LEU 26 HD12 LEU 26 -0.020 4.635 -0.946 241 HD13 LEU 26 HD13 LEU 26 -1.457 4.032 -1.773 242 HD21 LEU 26 HD21 LEU 26 -0.829 5.978 -4.890 243 HD22 LEU 26 HD22 LEU 26 -1.998 6.163 -3.584 244 HD23 LEU 26 HD23 LEU 26 -1.727 4.579 -4.309 245 H THR 27 HN THR 27 -0.462 8.665 -3.541 246 HA THR 27 HA THR 27 1.320 10.936 -3.130 247 HB THR 27 HB THR 27 0.253 12.392 -4.642 248 HG1 THR 27 HG1 THR 27 -1.725 10.425 -5.112 249 HG21 THR 27 HG21 THR 27 -0.140 10.759 -6.782 250 HG22 THR 27 HG22 THR 27 0.971 9.811 -5.800 251 HG23 THR 27 HG23 THR 27 1.409 11.443 -6.292 252 H GLU 28 HN GLU 28 -0.021 12.842 -2.262 253 HA GLU 28 HA GLU 28 -1.405 12.039 0.021 254 HB2 GLU 28 HB2 GLU 28 -0.734 14.534 -1.276 255 HB3 GLU 28 HB1 GLU 28 -2.362 14.607 -0.617 256 HG2 GLU 28 HG2 GLU 28 -0.872 15.423 1.037 257 HG3 GLU 28 HG1 GLU 28 -1.437 13.839 1.564 258 H ARG 29 HN ARG 29 -2.669 13.279 -3.054 259 HA ARG 29 HA ARG 29 -5.387 13.132 -2.436 260 HE ARG 29 HE ARG 29 -6.181 16.987 -5.501 261 HB2 ARG 29 HB2 ARG 29 -4.101 12.748 -5.144 262 HB3 ARG 29 HB1 ARG 29 -5.775 13.194 -4.842 263 HG2 ARG 29 HG2 ARG 29 -3.535 14.896 -3.827 264 HG3 ARG 29 HG1 ARG 29 -4.094 15.027 -5.496 265 HD2 ARG 29 HD2 ARG 29 -6.452 15.112 -4.207 266 HD3 ARG 29 HD1 ARG 29 -5.412 15.829 -2.978 267 HH11 ARG 29 HH11 ARG 29 -3.843 17.034 -2.909 268 HH12 ARG 29 HH12 ARG 29 -3.344 18.662 -3.223 269 HH21 ARG 29 HH21 ARG 29 -5.524 19.127 -5.914 270 HH22 ARG 29 HH22 ARG 29 -4.297 19.851 -4.927 271 H ARG 30 HN ARG 30 -3.260 10.705 -3.949 272 HA ARG 30 HA ARG 30 -5.303 8.794 -4.368 273 HE ARG 30 HE ARG 30 -5.785 9.015 -6.409 274 HB2 ARG 30 HB2 ARG 30 -2.317 8.428 -4.100 275 HB3 ARG 30 HB1 ARG 30 -3.430 7.175 -4.630 276 HG2 ARG 30 HG2 ARG 30 -3.388 9.783 -6.067 277 HG3 ARG 30 HG1 ARG 30 -2.108 8.606 -6.364 278 HD2 ARG 30 HD2 ARG 30 -3.545 7.841 -7.917 279 HD3 ARG 30 HD1 ARG 30 -4.265 7.009 -6.542 280 HH11 ARG 30 HH11 ARG 30 -4.366 7.983 -9.438 281 HH12 ARG 30 HH12 ARG 30 -5.633 8.664 -10.398 282 HH21 ARG 30 HH21 ARG 30 -7.444 9.901 -7.681 283 HH22 ARG 30 HH22 ARG 30 -7.378 9.749 -9.405 284 H ARG 31 HN ARG 31 -3.015 9.289 -1.708 285 HA ARG 31 HA ARG 31 -3.624 6.955 -0.280 286 HE ARG 31 HE ARG 31 -0.371 7.835 3.834 287 HB2 ARG 31 HB2 ARG 31 -1.947 9.156 0.075 288 HB3 ARG 31 HB1 ARG 31 -3.030 9.206 1.459 289 HG2 ARG 31 HG2 ARG 31 -2.301 7.172 2.272 290 HG3 ARG 31 HG1 ARG 31 -1.701 6.642 0.700 291 HD2 ARG 31 HD2 ARG 31 0.291 7.152 1.647 292 HD3 ARG 31 HD1 ARG 31 -0.119 8.759 1.054 293 HH11 ARG 31 HH11 ARG 31 -0.276 10.445 1.506 294 HH12 ARG 31 HH12 ARG 31 -0.167 11.677 2.715 295 HH21 ARG 31 HH21 ARG 31 -0.230 9.460 5.413 296 HH22 ARG 31 HH22 ARG 31 -0.141 11.121 4.929 297 H GLN 32 HN GLN 32 -4.889 10.257 0.112 298 HA GLN 32 HA GLN 32 -6.748 9.641 2.127 299 HB2 GLN 32 HB2 GLN 32 -5.896 11.941 1.268 300 HB3 GLN 32 HB1 GLN 32 -7.218 11.817 0.114 301 HG2 GLN 32 HG2 GLN 32 -7.575 11.620 3.093 302 HG3 GLN 32 HG1 GLN 32 -7.731 13.119 2.178 303 HE21 GLN 32 HE21 GLN 32 -9.130 12.591 0.050 304 HE22 GLN 32 HE22 GLN 32 -10.669 11.897 0.420 305 H GLN 33 HN GLN 33 -6.927 9.443 -1.368 306 HA GLN 33 HA GLN 33 -9.734 9.145 -1.570 307 HB2 GLN 33 HB2 GLN 33 -7.415 8.907 -3.334 308 HB3 GLN 33 HB1 GLN 33 -8.690 7.761 -3.725 309 HG2 GLN 33 HG2 GLN 33 -9.481 10.577 -3.265 310 HG3 GLN 33 HG1 GLN 33 -8.600 10.203 -4.746 311 HE21 GLN 33 HE21 GLN 33 -11.338 9.059 -2.809 312 HE22 GLN 33 HE22 GLN 33 -12.335 8.632 -4.153 313 H LEU 34 HN LEU 34 -7.099 6.748 -1.590 314 HA LEU 34 HA LEU 34 -8.806 4.493 -1.645 315 HG LEU 34 HG LEU 34 -6.281 5.491 -2.966 316 HB2 LEU 34 HB2 LEU 34 -5.998 4.619 -0.548 317 HB3 LEU 34 HB1 LEU 34 -6.843 3.193 -1.118 318 HD11 LEU 34 HD11 LEU 34 -4.097 5.131 -2.574 319 HD12 LEU 34 HD12 LEU 34 -4.348 3.714 -3.592 320 HD13 LEU 34 HD13 LEU 34 -4.381 3.554 -1.836 321 HD21 LEU 34 HD21 LEU 34 -7.871 3.850 -3.748 322 HD22 LEU 34 HD22 LEU 34 -6.751 2.541 -3.370 323 HD23 LEU 34 HD23 LEU 34 -6.364 3.690 -4.651 324 H SER 35 HN SER 35 -7.432 6.405 0.959 325 HA SER 35 HA SER 35 -7.976 4.681 3.103 326 HG SER 35 HG SER 35 -6.804 6.741 5.253 327 HB2 SER 35 HB2 SER 35 -7.038 7.352 2.759 328 HB3 SER 35 HB1 SER 35 -8.330 7.384 3.957 329 H SER 36 HN SER 36 -9.894 7.319 1.719 330 HA SER 36 HA SER 36 -12.111 6.962 3.457 331 HG SER 36 HG SER 36 -14.021 9.015 1.426 332 HB2 SER 36 HB2 SER 36 -11.526 9.052 2.131 333 HB3 SER 36 HB1 SER 36 -12.202 8.235 0.722 334 H GLU 37 HN GLU 37 -11.329 5.752 0.241 335 HA GLU 37 HA GLU 37 -13.841 4.672 -0.390 336 HB2 GLU 37 HB2 GLU 37 -11.303 4.802 -1.587 337 HB3 GLU 37 HB1 GLU 37 -11.700 3.091 -1.502 338 HG2 GLU 37 HG2 GLU 37 -13.997 4.511 -2.395 339 HG3 GLU 37 HG1 GLU 37 -12.607 5.020 -3.352 340 H LEU 38 HN LEU 38 -10.942 2.939 0.780 341 HA LEU 38 HA LEU 38 -12.541 0.605 1.383 342 HG LEU 38 HG LEU 38 -9.687 1.596 -0.213 343 HB2 LEU 38 HB2 LEU 38 -9.658 0.961 2.125 344 HB3 LEU 38 HB1 LEU 38 -10.522 -0.521 1.769 345 HD11 LEU 38 HD11 LEU 38 -8.418 -0.764 0.810 346 HD12 LEU 38 HD12 LEU 38 -7.807 0.429 -0.336 347 HD13 LEU 38 HD13 LEU 38 -8.743 -0.951 -0.914 348 HD21 LEU 38 HD21 LEU 38 -11.095 0.768 -1.728 349 HD22 LEU 38 HD22 LEU 38 -11.919 -0.031 -0.390 350 HD23 LEU 38 HD23 LEU 38 -10.688 -0.895 -1.309 351 H GLY 39 HN GLY 39 -11.615 3.415 3.048 352 HA2 GLY 39 HA2 GLY 39 -12.099 4.063 5.208 353 HA3 GLY 39 HA1 GLY 39 -12.841 2.491 5.466 354 H LEU 40 HN LEU 40 -9.518 3.222 4.487 355 HA LEU 40 HA LEU 40 -8.601 1.885 6.948 356 HG LEU 40 HG LEU 40 -9.184 0.273 4.741 357 HB2 LEU 40 HB2 LEU 40 -7.298 2.028 4.229 358 HB3 LEU 40 HB1 LEU 40 -6.543 1.336 5.652 359 HD11 LEU 40 HD11 LEU 40 -6.564 -0.711 3.642 360 HD12 LEU 40 HD12 LEU 40 -7.614 0.407 2.771 361 HD13 LEU 40 HD13 LEU 40 -8.194 -1.206 3.186 362 HD21 LEU 40 HD21 LEU 40 -6.915 -0.586 6.444 363 HD22 LEU 40 HD22 LEU 40 -7.780 -1.835 5.548 364 HD23 LEU 40 HD23 LEU 40 -8.651 -0.795 6.675 365 H ASN 41 HN ASN 41 -6.276 2.547 7.524 366 HA ASN 41 HA ASN 41 -6.271 5.419 7.832 367 HB2 ASN 41 HB2 ASN 41 -4.676 3.158 8.972 368 HB3 ASN 41 HB1 ASN 41 -4.055 4.801 9.095 369 HD21 ASN 41 HD21 ASN 41 -4.825 6.097 10.638 370 HD22 ASN 41 HD22 ASN 41 -6.131 5.707 11.700 371 H GLU 42 HN GLU 42 -5.018 6.854 6.805 372 HA GLU 42 HA GLU 42 -3.849 6.360 4.364 373 HB2 GLU 42 HB2 GLU 42 -3.136 8.528 6.346 374 HB3 GLU 42 HB1 GLU 42 -2.691 8.534 4.645 375 HG2 GLU 42 HG2 GLU 42 -4.591 9.564 4.193 376 HG3 GLU 42 HG1 GLU 42 -5.463 8.125 4.718 377 H ALA 43 HN ALA 43 -2.341 6.297 7.555 378 HA ALA 43 HA ALA 43 0.327 6.046 6.715 379 HB1 ALA 43 HB1 ALA 43 0.787 5.930 8.905 380 HB2 ALA 43 HB2 ALA 43 -0.336 4.596 9.169 381 HB3 ALA 43 HB3 ALA 43 -0.931 6.256 9.131 382 H GLN 44 HN GLN 44 -2.211 3.652 7.238 383 HA GLN 44 HA GLN 44 -0.526 1.384 6.932 384 HB2 GLN 44 HB2 GLN 44 -3.517 1.714 6.671 385 HB3 GLN 44 HB1 GLN 44 -2.697 0.162 6.582 386 HG2 GLN 44 HG2 GLN 44 -1.699 1.130 8.902 387 HG3 GLN 44 HG1 GLN 44 -3.310 1.844 8.902 388 HE21 GLN 44 HE21 GLN 44 -4.368 0.661 10.360 389 HE22 GLN 44 HE22 GLN 44 -4.547 -1.057 10.306 390 H ILE 45 HN ILE 45 -2.432 3.343 4.714 391 HA ILE 45 HA ILE 45 -2.163 1.625 2.466 392 HB ILE 45 HB ILE 45 -2.540 4.621 2.415 393 HG12 ILE 45 HG12 ILE 45 -4.685 2.490 2.428 394 HG13 ILE 45 HG11 ILE 45 -4.205 3.403 3.856 395 HG21 ILE 45 HG21 ILE 45 -3.950 3.461 0.333 396 HG22 ILE 45 HG22 ILE 45 -2.436 2.557 0.383 397 HG23 ILE 45 HG23 ILE 45 -2.410 4.312 0.213 398 HD11 ILE 45 HD11 ILE 45 -5.194 5.319 3.130 399 HD12 ILE 45 HD12 ILE 45 -6.254 4.124 2.384 400 HD13 ILE 45 HD13 ILE 45 -4.998 4.910 1.426 401 H LYS 46 HN LYS 46 -0.361 4.475 3.575 402 HA LYS 46 HA LYS 46 1.443 4.645 1.445 403 HB2 LYS 46 HB2 LYS 46 1.076 6.325 3.318 404 HB3 LYS 46 HB1 LYS 46 2.108 5.307 4.312 405 HG2 LYS 46 HG2 LYS 46 3.979 6.034 3.328 406 HG3 LYS 46 HG1 LYS 46 3.264 5.989 1.716 407 HD2 LYS 46 HD2 LYS 46 3.482 8.241 1.912 408 HD3 LYS 46 HD1 LYS 46 1.918 8.070 2.711 409 HE2 LYS 46 HE2 LYS 46 2.755 8.858 4.612 410 HE3 LYS 46 HE1 LYS 46 4.024 7.634 4.606 411 HZ1 LYS 46 HZ1 LYS 46 5.090 9.719 4.599 412 HZ2 LYS 46 HZ2 LYS 46 4.097 10.327 3.373 413 HZ3 LYS 46 HZ3 LYS 46 5.238 9.129 3.020 414 H ILE 47 HN ILE 47 1.666 2.871 4.515 415 HA ILE 47 HA ILE 47 4.253 1.817 4.050 416 HB ILE 47 HB ILE 47 2.043 0.688 5.775 417 HG12 ILE 47 HG12 ILE 47 4.389 2.307 6.732 418 HG13 ILE 47 HG11 ILE 47 2.918 3.098 6.175 419 HG21 ILE 47 HG21 ILE 47 3.890 -0.410 6.998 420 HG22 ILE 47 HG22 ILE 47 5.011 0.155 5.758 421 HG23 ILE 47 HG23 ILE 47 3.730 -0.982 5.337 422 HD11 ILE 47 HD11 ILE 47 2.629 0.948 8.188 423 HD12 ILE 47 HD12 ILE 47 1.723 2.449 7.987 424 HD13 ILE 47 HD13 ILE 47 3.330 2.479 8.714 425 H TRP 48 HN TRP 48 1.008 0.692 3.268 426 HA TRP 48 HA TRP 48 1.651 -1.920 2.483 427 HD1 TRP 48 HD1 TRP 48 -1.186 -3.705 2.415 428 HE1 TRP 48 HE1 TRP 48 -1.793 -5.069 0.321 429 HE3 TRP 48 HE3 TRP 48 -0.024 -0.251 -1.172 430 HZ2 TRP 48 HZ2 TRP 48 -1.778 -4.731 -2.481 431 HZ3 TRP 48 HZ3 TRP 48 -0.348 -0.853 -3.536 432 HH2 TRP 48 HH2 TRP 48 -1.205 -3.047 -4.175 433 HB2 TRP 48 HB2 TRP 48 -0.661 -1.168 2.831 434 HB3 TRP 48 HB1 TRP 48 -0.537 -0.115 1.425 435 H PHE 49 HN PHE 49 1.420 1.067 0.565 436 HA PHE 49 HA PHE 49 2.118 -0.105 -1.903 437 HD1 PHE 49 HD1 PHE 49 -0.547 1.801 -1.308 438 HD2 PHE 49 HD2 PHE 49 2.380 2.282 -4.358 439 HE1 PHE 49 HE1 PHE 49 -2.326 1.820 -3.007 440 HE2 PHE 49 HE2 PHE 49 0.607 2.304 -6.062 441 HZ PHE 49 HZ PHE 49 -1.750 2.074 -5.388 442 HB2 PHE 49 HB2 PHE 49 1.779 2.605 -0.834 443 HB3 PHE 49 HB1 PHE 49 2.995 2.502 -2.102 444 H GLN 50 HN GLN 50 4.049 1.531 0.577 445 HA GLN 50 HA GLN 50 6.517 1.395 -0.771 446 HB2 GLN 50 HB2 GLN 50 5.832 2.736 1.347 447 HB3 GLN 50 HB1 GLN 50 6.285 1.280 2.222 448 HG2 GLN 50 HG2 GLN 50 8.517 1.448 1.005 449 HG3 GLN 50 HG1 GLN 50 8.016 3.080 0.568 450 HE21 GLN 50 HE21 GLN 50 6.930 4.150 2.678 451 HE22 GLN 50 HE22 GLN 50 7.987 4.145 4.045 452 H ASN 51 HN ASN 51 4.925 -0.811 1.487 453 HA ASN 51 HA ASN 51 7.102 -2.640 1.644 454 HB2 ASN 51 HB2 ASN 51 4.272 -2.588 2.545 455 HB3 ASN 51 HB1 ASN 51 5.019 -4.173 2.371 456 HD21 ASN 51 HD21 ASN 51 5.509 -0.996 3.837 457 HD22 ASN 51 HD22 ASN 51 6.357 -1.573 5.227 458 H LYS 52 HN LYS 52 4.350 -2.277 -0.483 459 HA LYS 52 HA LYS 52 4.444 -4.858 -1.649 460 HB2 LYS 52 HB2 LYS 52 2.730 -2.734 -1.812 461 HB3 LYS 52 HB1 LYS 52 3.520 -2.661 -3.379 462 HG2 LYS 52 HG2 LYS 52 1.438 -3.972 -3.403 463 HG3 LYS 52 HG1 LYS 52 2.850 -4.917 -3.879 464 HD2 LYS 52 HD2 LYS 52 2.844 -6.154 -1.931 465 HD3 LYS 52 HD1 LYS 52 1.983 -4.911 -1.021 466 HE2 LYS 52 HE2 LYS 52 0.156 -5.560 -2.936 467 HE3 LYS 52 HE1 LYS 52 0.950 -7.111 -2.663 468 HZ1 LYS 52 HZ1 LYS 52 0.259 -5.660 -0.259 469 HZ2 LYS 52 HZ2 LYS 52 0.059 -7.298 -0.631 470 HZ3 LYS 52 HZ3 LYS 52 -1.068 -6.162 -1.180 471 H ARG 53 HN ARG 53 6.140 -1.863 -2.273 472 HA ARG 53 HA ARG 53 7.187 -2.588 -4.812 473 HE ARG 53 HE ARG 53 11.590 0.364 -5.381 474 HB2 ARG 53 HB2 ARG 53 7.033 -0.257 -3.633 475 HB3 ARG 53 HB1 ARG 53 8.596 -0.698 -2.962 476 HG2 ARG 53 HG2 ARG 53 8.000 -0.691 -5.908 477 HG3 ARG 53 HG1 ARG 53 8.676 0.689 -5.040 478 HD2 ARG 53 HD2 ARG 53 10.384 -1.178 -4.215 479 HD3 ARG 53 HD1 ARG 53 9.915 -1.912 -5.747 480 HH11 ARG 53 HH11 ARG 53 9.260 -1.073 -7.544 481 HH12 ARG 53 HH12 ARG 53 9.876 -0.266 -8.946 482 HH21 ARG 53 HH21 ARG 53 12.403 1.427 -7.224 483 HH22 ARG 53 HH22 ARG 53 11.661 1.154 -8.765 484 H ALA 54 HN ALA 54 8.546 -2.670 -1.528 485 HA ALA 54 HA ALA 54 11.041 -3.767 -2.293 486 HB1 ALA 54 HB1 ALA 54 9.962 -4.273 0.429 487 HB2 ALA 54 HB2 ALA 54 10.227 -2.601 -0.068 488 HB3 ALA 54 HB3 ALA 54 11.569 -3.747 -0.073 489 H LYS 55 HN LYS 55 7.928 -5.171 -1.842 490 HA LYS 55 HA LYS 55 8.816 -7.820 -1.246 491 HB2 LYS 55 HB2 LYS 55 6.235 -6.501 -1.844 492 HB3 LYS 55 HB1 LYS 55 6.334 -8.212 -2.238 493 HG2 LYS 55 HG2 LYS 55 7.174 -8.559 0.131 494 HG3 LYS 55 HG1 LYS 55 6.665 -6.898 0.440 495 HD2 LYS 55 HD2 LYS 55 4.676 -8.630 -0.883 496 HD3 LYS 55 HD1 LYS 55 5.071 -9.047 0.786 497 HE2 LYS 55 HE2 LYS 55 4.716 -6.540 1.263 498 HE3 LYS 55 HE1 LYS 55 3.901 -6.509 -0.300 499 HZ1 LYS 55 HZ1 LYS 55 2.311 -8.080 0.464 500 HZ2 LYS 55 HZ2 LYS 55 2.413 -6.869 1.641 501 HZ3 LYS 55 HZ3 LYS 55 3.165 -8.362 1.897 502 H ILE 56 HN ILE 56 8.365 -5.980 -4.149 503 HA ILE 56 HA ILE 56 8.825 -8.404 -5.758 504 HB ILE 56 HB ILE 56 7.721 -5.768 -6.733 505 HG12 ILE 56 HG12 ILE 56 6.115 -8.288 -6.416 506 HG13 ILE 56 HG11 ILE 56 6.308 -7.178 -5.062 507 HG21 ILE 56 HG21 ILE 56 7.205 -8.214 -8.253 508 HG22 ILE 56 HG22 ILE 56 8.909 -7.769 -8.162 509 HG23 ILE 56 HG23 ILE 56 7.732 -6.623 -8.804 510 HD11 ILE 56 HD11 ILE 56 5.103 -5.503 -6.102 511 HD12 ILE 56 HD12 ILE 56 4.241 -6.965 -6.578 512 HD13 ILE 56 HD13 ILE 56 5.346 -6.185 -7.709 513 H LYS 57 HN LYS 57 11.109 -8.118 -5.102 514 HA LYS 57 HA LYS 57 12.559 -5.867 -6.159 515 HB2 LYS 57 HB2 LYS 57 13.153 -7.232 -4.074 516 HB3 LYS 57 HB1 LYS 57 13.764 -8.450 -5.184 517 HG2 LYS 57 HG2 LYS 57 15.337 -6.830 -6.108 518 HG3 LYS 57 HG1 LYS 57 14.719 -5.600 -5.002 519 HD2 LYS 57 HD2 LYS 57 15.403 -7.022 -3.099 520 HD3 LYS 57 HD1 LYS 57 16.095 -8.176 -4.241 521 HE2 LYS 57 HE2 LYS 57 17.934 -6.912 -3.608 522 HE3 LYS 57 HE1 LYS 57 17.436 -6.152 -5.117 523 HZ1 LYS 57 HZ1 LYS 57 17.425 -5.095 -2.430 524 HZ2 LYS 57 HZ2 LYS 57 16.015 -4.772 -3.307 525 HZ3 LYS 57 HZ3 LYS 57 17.516 -4.283 -3.912 526 H LYS 58 HN LYS 58 12.436 -5.783 -8.353 527 HA LYS 58 HA LYS 58 13.446 -8.125 -9.831 528 HB2 LYS 58 HB2 LYS 58 11.039 -6.676 -10.169 529 HB3 LYS 58 HB1 LYS 58 12.061 -6.279 -11.543 530 HG2 LYS 58 HG2 LYS 58 11.473 -9.096 -10.667 531 HG3 LYS 58 HG1 LYS 58 10.529 -8.225 -11.879 532 HD2 LYS 58 HD2 LYS 58 13.227 -7.923 -12.615 533 HD3 LYS 58 HD1 LYS 58 13.026 -9.618 -12.171 534 HE2 LYS 58 HE2 LYS 58 10.769 -9.006 -13.684 535 HE3 LYS 58 HE1 LYS 58 12.097 -8.197 -14.513 536 HZ1 LYS 58 HZ1 LYS 58 12.553 -10.163 -15.405 537 HZ2 LYS 58 HZ2 LYS 58 11.477 -10.973 -14.384 538 HZ3 LYS 58 HZ3 LYS 58 13.066 -10.685 -13.879 539 H SER 59 HN SER 59 15.579 -7.664 -10.021 540 HA SER 59 HA SER 59 16.267 -5.152 -11.397 541 HG SER 59 HG SER 59 17.466 -4.649 -8.090 542 HB2 SER 59 HB2 SER 59 18.007 -6.554 -9.356 543 HB3 SER 59 HB1 SER 59 18.324 -5.004 -10.135 Start of MODEL 15 1 HA MET -1 HA MET -1 -4.521 -6.996 26.055 2 H1 MET -1 HT1 MET -1 -3.990 -6.857 28.145 3 H2 MET -1 HT2 MET -1 -4.751 -5.320 28.154 4 H3 MET -1 HT3 MET -1 -3.056 -5.439 27.917 5 HB2 MET -1 HB2 MET -1 -5.361 -5.003 24.793 6 HB3 MET -1 HB1 MET -1 -6.218 -5.313 26.296 7 HG2 MET -1 HG2 MET -1 -4.038 -3.544 26.809 8 HG3 MET -1 HG1 MET -1 -4.979 -2.933 25.450 9 HE1 MET -1 HE1 MET -1 -4.841 -1.661 28.893 10 HE2 MET -1 HE2 MET -1 -4.443 -3.378 28.958 11 HE3 MET -1 HE3 MET -1 -5.862 -2.770 29.808 12 H ASP 0 HN ASP 0 -2.387 -7.640 25.603 13 HA ASP 0 HA ASP 0 -0.335 -5.763 24.963 14 HB2 ASP 0 HB2 ASP 0 -0.464 -8.513 25.476 15 HB3 ASP 0 HB1 ASP 0 0.093 -8.388 23.810 16 H GLU 1 HN GLU 1 0.778 -5.767 22.821 17 HA GLU 1 HA GLU 1 -1.234 -5.553 20.702 18 HB2 GLU 1 HB2 GLU 1 1.603 -4.518 20.671 19 HB3 GLU 1 HB1 GLU 1 0.304 -4.096 19.565 20 HG2 GLU 1 HG2 GLU 1 -0.128 -2.353 20.853 21 HG3 GLU 1 HG1 GLU 1 -0.682 -3.478 22.093 22 H LYS 2 HN LYS 2 -1.280 -7.877 20.399 23 HA LYS 2 HA LYS 2 1.037 -8.859 18.863 24 HB2 LYS 2 HB2 LYS 2 -0.942 -10.484 20.471 25 HB3 LYS 2 HB1 LYS 2 0.410 -11.129 19.549 26 HG2 LYS 2 HG2 LYS 2 1.278 -9.106 21.419 27 HG3 LYS 2 HG1 LYS 2 0.403 -10.409 22.226 28 HD2 LYS 2 HD2 LYS 2 1.877 -12.055 21.202 29 HD3 LYS 2 HD1 LYS 2 2.729 -10.774 20.337 30 HE2 LYS 2 HE2 LYS 2 3.932 -11.539 22.355 31 HE3 LYS 2 HE1 LYS 2 3.508 -9.829 22.413 32 HZ1 LYS 2 HZ1 LYS 2 3.050 -11.504 24.410 33 HZ2 LYS 2 HZ2 LYS 2 1.586 -11.675 23.580 34 HZ3 LYS 2 HZ3 LYS 2 2.083 -10.149 24.113 35 H ARG 3 HN ARG 3 -0.055 -7.763 17.047 36 HA ARG 3 HA ARG 3 -1.510 -9.631 15.488 37 HE ARG 3 HE ARG 3 -4.609 -11.759 16.759 38 HB2 ARG 3 HB2 ARG 3 -3.075 -7.957 17.158 39 HB3 ARG 3 HB1 ARG 3 -3.289 -7.386 15.508 40 HG2 ARG 3 HG2 ARG 3 -4.650 -9.067 15.054 41 HG3 ARG 3 HG1 ARG 3 -3.432 -10.242 15.551 42 HD2 ARG 3 HD2 ARG 3 -4.208 -9.508 17.963 43 HD3 ARG 3 HD1 ARG 3 -5.677 -9.053 17.099 44 HH11 ARG 3 HH11 ARG 3 -7.106 -9.657 18.017 45 HH12 ARG 3 HH12 ARG 3 -8.218 -10.951 18.298 46 HH21 ARG 3 HH21 ARG 3 -6.077 -13.452 17.135 47 HH22 ARG 3 HH22 ARG 3 -7.637 -13.102 17.802 48 HA PRO 4 HA PRO 4 0.867 -7.127 12.623 49 HB2 PRO 4 HB2 PRO 4 -0.800 -8.621 10.662 50 HB3 PRO 4 HB1 PRO 4 0.955 -8.425 10.730 51 HG2 PRO 4 HG2 PRO 4 -0.182 -10.727 11.434 52 HG3 PRO 4 HG1 PRO 4 1.213 -10.089 12.323 53 HD2 PRO 4 HD2 PRO 4 -1.678 -10.092 13.078 54 HD3 PRO 4 HD1 PRO 4 -0.244 -10.321 14.099 55 H ARG 5 HN ARG 5 0.425 -5.125 11.942 56 HA ARG 5 HA ARG 5 -2.372 -4.366 11.553 57 HE ARG 5 HE ARG 5 -4.067 -3.597 12.219 58 HB2 ARG 5 HB2 ARG 5 -0.446 -3.144 12.996 59 HB3 ARG 5 HB1 ARG 5 -0.255 -2.299 11.466 60 HG2 ARG 5 HG2 ARG 5 -1.750 -0.986 12.681 61 HG3 ARG 5 HG1 ARG 5 -2.770 -1.898 11.567 62 HD2 ARG 5 HD2 ARG 5 -2.246 -3.097 14.227 63 HD3 ARG 5 HD1 ARG 5 -3.307 -1.688 14.171 64 HH11 ARG 5 HH11 ARG 5 -4.189 -2.976 15.650 65 HH12 ARG 5 HH12 ARG 5 -5.622 -3.916 15.897 66 HH21 ARG 5 HH21 ARG 5 -5.950 -4.834 12.540 67 HH22 ARG 5 HH22 ARG 5 -6.622 -4.972 14.131 68 H THR 6 HN THR 6 -1.014 -5.887 9.529 69 HA THR 6 HA THR 6 -1.267 -3.983 7.314 70 HB THR 6 HB THR 6 0.821 -6.129 7.185 71 HG1 THR 6 HG1 THR 6 1.057 -3.604 8.429 72 HG21 THR 6 HG21 THR 6 1.820 -3.926 5.955 73 HG22 THR 6 HG22 THR 6 0.095 -3.773 5.621 74 HG23 THR 6 HG23 THR 6 0.958 -5.237 5.147 75 H ALA 7 HN ALA 7 -2.894 -6.214 8.573 76 HA ALA 7 HA ALA 7 -3.078 -8.051 6.294 77 HB1 ALA 7 HB1 ALA 7 -2.883 -9.014 8.567 78 HB2 ALA 7 HB2 ALA 7 -4.359 -9.498 7.733 79 HB3 ALA 7 HB3 ALA 7 -4.421 -8.259 8.986 80 H PHE 8 HN PHE 8 -4.448 -7.457 4.752 81 HA PHE 8 HA PHE 8 -6.937 -6.088 5.536 82 HD1 PHE 8 HD2 PHE 8 -6.382 -3.787 5.766 83 HD2 PHE 8 HD1 PHE 8 -3.598 -4.821 2.719 84 HE1 PHE 8 HE2 PHE 8 -4.849 -2.045 6.584 85 HE2 PHE 8 HE1 PHE 8 -2.057 -3.081 3.533 86 HZ PHE 8 HZ PHE 8 -2.683 -1.691 5.466 87 HB2 PHE 8 HB2 PHE 8 -5.569 -5.961 2.843 88 HB3 PHE 8 HB1 PHE 8 -6.942 -5.001 3.379 89 H SER 9 HN SER 9 -8.213 -6.371 3.014 90 HA SER 9 HA SER 9 -8.837 -9.244 3.088 91 HG SER 9 HG SER 9 -11.380 -7.575 0.982 92 HB2 SER 9 HB2 SER 9 -11.056 -8.744 2.695 93 HB3 SER 9 HB1 SER 9 -10.573 -7.293 3.572 94 H SER 10 HN SER 10 -9.351 -10.310 1.076 95 HA SER 10 HA SER 10 -7.500 -9.926 -0.952 96 HG SER 10 HG SER 10 -9.362 -12.276 -2.927 97 HB2 SER 10 HB2 SER 10 -8.535 -12.037 -0.881 98 HB3 SER 10 HB1 SER 10 -10.155 -11.340 -0.884 99 H GLU 11 HN GLU 11 -10.765 -8.655 -0.610 100 HA GLU 11 HA GLU 11 -11.041 -7.561 -3.187 101 HB2 GLU 11 HB2 GLU 11 -12.486 -7.518 -0.710 102 HB3 GLU 11 HB1 GLU 11 -12.388 -5.880 -1.339 103 HG2 GLU 11 HG2 GLU 11 -13.059 -7.275 -3.572 104 HG3 GLU 11 HG1 GLU 11 -13.894 -8.188 -2.316 105 H GLN 12 HN GLN 12 -9.908 -6.117 -0.141 106 HA GLN 12 HA GLN 12 -9.277 -3.590 -1.274 107 HB2 GLN 12 HB2 GLN 12 -8.005 -4.824 1.173 108 HB3 GLN 12 HB1 GLN 12 -8.151 -3.114 0.795 109 HG2 GLN 12 HG2 GLN 12 -10.524 -3.182 1.119 110 HG3 GLN 12 HG1 GLN 12 -10.490 -4.932 1.310 111 HE21 GLN 12 HE21 GLN 12 -10.723 -2.123 2.944 112 HE22 GLN 12 HE22 GLN 12 -10.132 -2.620 4.489 113 H LEU 13 HN LEU 13 -7.589 -6.611 -0.936 114 HA LEU 13 HA LEU 13 -4.969 -5.755 -1.502 115 HG LEU 13 HG LEU 13 -4.837 -9.156 -0.082 116 HB2 LEU 13 HB2 LEU 13 -6.453 -8.327 -1.546 117 HB3 LEU 13 HB1 LEU 13 -4.965 -8.265 -2.466 118 HD11 LEU 13 HD11 LEU 13 -2.923 -6.939 -0.211 119 HD12 LEU 13 HD12 LEU 13 -3.013 -7.942 -1.659 120 HD13 LEU 13 HD13 LEU 13 -2.651 -8.678 -0.099 121 HD21 LEU 13 HD21 LEU 13 -4.373 -6.619 1.138 122 HD22 LEU 13 HD22 LEU 13 -5.487 -7.897 1.620 123 HD23 LEU 13 HD23 LEU 13 -6.010 -6.655 0.489 124 H ALA 14 HN ALA 14 -7.531 -7.061 -3.586 125 HA ALA 14 HA ALA 14 -6.115 -6.933 -6.005 126 HB1 ALA 14 HB1 ALA 14 -8.573 -7.854 -5.237 127 HB2 ALA 14 HB2 ALA 14 -7.993 -7.764 -6.900 128 HB3 ALA 14 HB3 ALA 14 -8.991 -6.467 -6.242 129 H ARG 15 HN ARG 15 -8.235 -4.589 -4.402 130 HA ARG 15 HA ARG 15 -8.227 -2.666 -6.462 131 HE ARG 15 HE ARG 15 -12.588 -3.706 -4.622 132 HB2 ARG 15 HB2 ARG 15 -8.760 -2.563 -3.510 133 HB3 ARG 15 HB1 ARG 15 -8.702 -1.078 -4.450 134 HG2 ARG 15 HG2 ARG 15 -10.621 -1.559 -5.593 135 HG3 ARG 15 HG1 ARG 15 -10.418 -3.303 -5.420 136 HD2 ARG 15 HD2 ARG 15 -10.826 -2.912 -2.924 137 HD3 ARG 15 HD1 ARG 15 -11.406 -1.317 -3.400 138 HH11 ARG 15 HH11 ARG 15 -12.922 -0.911 -2.547 139 HH12 ARG 15 HH12 ARG 15 -14.649 -0.999 -2.506 140 HH21 ARG 15 HH21 ARG 15 -14.856 -3.816 -4.560 141 HH22 ARG 15 HH22 ARG 15 -15.746 -2.647 -3.644 142 H LEU 16 HN LEU 16 -6.258 -2.947 -3.517 143 HA LEU 16 HA LEU 16 -4.650 -0.693 -3.966 144 HG LEU 16 HG LEU 16 -5.813 -1.360 -1.641 145 HB2 LEU 16 HB2 LEU 16 -4.147 -3.245 -2.445 146 HB3 LEU 16 HB1 LEU 16 -3.002 -1.917 -2.470 147 HD11 LEU 16 HD11 LEU 16 -3.727 -2.720 0.052 148 HD12 LEU 16 HD12 LEU 16 -5.352 -3.294 -0.326 149 HD13 LEU 16 HD13 LEU 16 -5.133 -1.881 0.708 150 HD21 LEU 16 HD21 LEU 16 -3.782 0.282 -1.961 151 HD22 LEU 16 HD22 LEU 16 -3.355 -0.290 -0.348 152 HD23 LEU 16 HD23 LEU 16 -4.915 0.485 -0.625 153 H LYS 17 HN LYS 17 -4.196 -4.097 -4.856 154 HA LYS 17 HA LYS 17 -1.657 -3.799 -6.038 155 HB2 LYS 17 HB2 LYS 17 -3.163 -5.931 -5.441 156 HB3 LYS 17 HB1 LYS 17 -3.535 -5.815 -7.156 157 HG2 LYS 17 HG2 LYS 17 -1.284 -6.136 -7.770 158 HG3 LYS 17 HG1 LYS 17 -0.717 -5.867 -6.120 159 HD2 LYS 17 HD2 LYS 17 -2.648 -8.071 -6.495 160 HD3 LYS 17 HD1 LYS 17 -1.049 -8.309 -7.201 161 HE2 LYS 17 HE2 LYS 17 -0.405 -7.332 -4.750 162 HE3 LYS 17 HE1 LYS 17 -1.883 -8.222 -4.386 163 HZ1 LYS 17 HZ1 LYS 17 -0.206 -9.786 -4.133 164 HZ2 LYS 17 HZ2 LYS 17 0.660 -9.245 -5.482 165 HZ3 LYS 17 HZ3 LYS 17 -0.781 -10.105 -5.693 166 H ARG 18 HN ARG 18 -4.928 -3.456 -7.306 167 HA ARG 18 HA ARG 18 -4.292 -3.256 -10.029 168 HE ARG 18 HE ARG 18 -8.695 -1.787 -11.339 169 HB2 ARG 18 HB2 ARG 18 -6.605 -2.979 -8.421 170 HB3 ARG 18 HB1 ARG 18 -6.482 -1.511 -9.380 171 HG2 ARG 18 HG2 ARG 18 -6.638 -2.669 -11.396 172 HG3 ARG 18 HG1 ARG 18 -6.235 -4.214 -10.644 173 HD2 ARG 18 HD2 ARG 18 -8.442 -4.583 -10.664 174 HD3 ARG 18 HD1 ARG 18 -8.489 -3.489 -9.282 175 HH11 ARG 18 HH11 ARG 18 -10.386 -4.755 -10.616 176 HH12 ARG 18 HH12 ARG 18 -11.839 -4.269 -11.422 177 HH21 ARG 18 HH21 ARG 18 -10.607 -1.148 -12.398 178 HH22 ARG 18 HH22 ARG 18 -11.965 -2.223 -12.434 179 H GLU 19 HN GLU 19 -4.519 -0.790 -7.497 180 HA GLU 19 HA GLU 19 -3.945 1.409 -9.203 181 HB2 GLU 19 HB2 GLU 19 -4.028 0.968 -6.249 182 HB3 GLU 19 HB1 GLU 19 -3.240 2.416 -6.860 183 HG2 GLU 19 HG2 GLU 19 -6.075 1.597 -7.448 184 HG3 GLU 19 HG1 GLU 19 -5.581 2.802 -6.260 185 H PHE 20 HN PHE 20 -1.988 -0.804 -7.316 186 HA PHE 20 HA PHE 20 0.451 0.610 -7.467 187 HD1 PHE 20 HD1 PHE 20 2.413 -2.372 -8.446 188 HD2 PHE 20 HD2 PHE 20 1.708 -0.592 -4.645 189 HE1 PHE 20 HE1 PHE 20 4.827 -2.433 -7.974 190 HE2 PHE 20 HE2 PHE 20 4.121 -0.647 -4.167 191 HZ PHE 20 HZ PHE 20 5.684 -1.569 -5.832 192 HB2 PHE 20 HB2 PHE 20 -0.095 -1.328 -5.927 193 HB3 PHE 20 HB1 PHE 20 0.150 -2.392 -7.309 194 H ASN 21 HN ASN 21 -1.131 -1.676 -9.614 195 HA ASN 21 HA ASN 21 1.042 -2.191 -11.324 196 HB2 ASN 21 HB2 ASN 21 -1.909 -2.492 -11.473 197 HB3 ASN 21 HB1 ASN 21 -1.038 -2.482 -13.005 198 HD21 ASN 21 HD21 ASN 21 1.229 -3.783 -12.509 199 HD22 ASN 21 HD22 ASN 21 0.922 -5.403 -11.997 200 H GLU 22 HN GLU 22 -1.239 0.449 -11.144 201 HA GLU 22 HA GLU 22 -0.439 1.573 -13.685 202 HB2 GLU 22 HB2 GLU 22 -2.080 2.862 -11.500 203 HB3 GLU 22 HB1 GLU 22 -1.991 3.351 -13.186 204 HG2 GLU 22 HG2 GLU 22 -2.891 0.968 -13.662 205 HG3 GLU 22 HG1 GLU 22 -3.380 1.007 -11.968 206 H ASN 23 HN ASN 23 0.255 2.016 -10.289 207 HA ASN 23 HA ASN 23 2.635 3.507 -10.919 208 HB2 ASN 23 HB2 ASN 23 2.101 5.472 -9.580 209 HB3 ASN 23 HB1 ASN 23 0.923 5.292 -10.877 210 HD21 ASN 23 HD21 ASN 23 -1.046 3.966 -10.213 211 HD22 ASN 23 HD22 ASN 23 -1.729 4.347 -8.673 212 H ARG 24 HN ARG 24 4.163 2.736 -9.628 213 HA ARG 24 HA ARG 24 3.534 1.080 -7.393 214 HE ARG 24 HE ARG 24 6.785 -2.431 -9.281 215 HB2 ARG 24 HB2 ARG 24 6.221 2.167 -8.247 216 HB3 ARG 24 HB1 ARG 24 5.943 0.819 -7.152 217 HG2 ARG 24 HG2 ARG 24 4.784 -0.348 -9.053 218 HG3 ARG 24 HG1 ARG 24 5.372 0.944 -10.100 219 HD2 ARG 24 HD2 ARG 24 7.541 0.248 -9.971 220 HD3 ARG 24 HD1 ARG 24 7.344 -0.417 -8.350 221 HH11 ARG 24 HH11 ARG 24 6.585 0.039 -11.739 222 HH12 ARG 24 HH12 ARG 24 6.345 -1.091 -13.030 223 HH21 ARG 24 HH21 ARG 24 6.470 -3.917 -10.978 224 HH22 ARG 24 HH22 ARG 24 6.278 -3.336 -12.598 225 H TYR 25 HN TYR 25 3.581 4.385 -7.637 226 HA TYR 25 HA TYR 25 4.450 4.733 -4.850 227 HD1 TYR 25 HD2 TYR 25 6.636 4.669 -5.310 228 HD2 TYR 25 HD1 TYR 25 5.762 7.339 -8.505 229 HE1 TYR 25 HE2 TYR 25 8.794 4.121 -6.352 230 HE2 TYR 25 HE1 TYR 25 7.918 6.799 -9.556 231 HH TYR 25 HH TYR 25 9.889 4.191 -8.473 232 HB2 TYR 25 HB2 TYR 25 4.124 6.909 -6.919 233 HB3 TYR 25 HB1 TYR 25 4.913 7.029 -5.349 234 H LEU 26 HN LEU 26 3.253 7.075 -4.204 235 HA LEU 26 HA LEU 26 0.418 6.879 -4.796 236 HG LEU 26 HG LEU 26 0.362 4.310 -3.141 237 HB2 LEU 26 HB2 LEU 26 1.635 6.040 -2.246 238 HB3 LEU 26 HB1 LEU 26 0.259 7.110 -2.088 239 HD11 LEU 26 HD11 LEU 26 -1.471 3.999 -1.628 240 HD12 LEU 26 HD12 LEU 26 -1.599 5.737 -1.351 241 HD13 LEU 26 HD13 LEU 26 -0.186 4.852 -0.771 242 HD21 LEU 26 HD21 LEU 26 -2.002 4.652 -3.922 243 HD22 LEU 26 HD22 LEU 26 -0.765 5.391 -4.939 244 HD23 LEU 26 HD23 LEU 26 -1.707 6.387 -3.830 245 H THR 27 HN THR 27 -0.519 8.813 -4.841 246 HA THR 27 HA THR 27 1.046 11.129 -3.992 247 HB THR 27 HB THR 27 -0.315 12.431 -5.412 248 HG1 THR 27 HG1 THR 27 -2.172 10.593 -6.176 249 HG21 THR 27 HG21 THR 27 -0.185 9.757 -6.786 250 HG22 THR 27 HG22 THR 27 1.130 10.929 -6.705 251 HG23 THR 27 HG23 THR 27 -0.360 11.332 -7.559 252 H GLU 28 HN GLU 28 -0.196 12.950 -2.943 253 HA GLU 28 HA GLU 28 -1.298 12.127 -0.520 254 HB2 GLU 28 HB2 GLU 28 -0.791 14.624 -1.867 255 HB3 GLU 28 HB1 GLU 28 -2.356 14.687 -1.069 256 HG2 GLU 28 HG2 GLU 28 -0.598 13.524 0.775 257 HG3 GLU 28 HG1 GLU 28 0.272 14.877 0.053 258 H ARG 29 HN ARG 29 -2.913 13.340 -3.432 259 HA ARG 29 HA ARG 29 -5.550 13.156 -2.533 260 HE ARG 29 HE ARG 29 -8.046 16.149 -4.568 261 HB2 ARG 29 HB2 ARG 29 -4.176 13.595 -5.031 262 HB3 ARG 29 HB1 ARG 29 -5.576 12.562 -5.281 263 HG2 ARG 29 HG2 ARG 29 -5.941 15.004 -3.638 264 HG3 ARG 29 HG1 ARG 29 -5.734 15.199 -5.380 265 HD2 ARG 29 HD2 ARG 29 -7.630 13.856 -5.844 266 HD3 ARG 29 HD1 ARG 29 -7.726 13.295 -4.175 267 HH11 ARG 29 HH11 ARG 29 -9.626 13.054 -4.210 268 HH12 ARG 29 HH12 ARG 29 -11.135 13.744 -3.718 269 HH21 ARG 29 HH21 ARG 29 -10.032 17.053 -3.925 270 HH22 ARG 29 HH22 ARG 29 -11.367 16.012 -3.558 271 H ARG 30 HN ARG 30 -3.450 10.755 -4.038 272 HA ARG 30 HA ARG 30 -5.452 8.778 -4.393 273 HE ARG 30 HE ARG 30 -6.173 6.787 -6.352 274 HB2 ARG 30 HB2 ARG 30 -3.033 9.036 -5.411 275 HB3 ARG 30 HB1 ARG 30 -2.581 8.047 -4.032 276 HG2 ARG 30 HG2 ARG 30 -2.973 6.377 -5.492 277 HG3 ARG 30 HG1 ARG 30 -4.635 6.599 -4.942 278 HD2 ARG 30 HD2 ARG 30 -3.988 8.424 -7.086 279 HD3 ARG 30 HD1 ARG 30 -3.688 6.752 -7.562 280 HH11 ARG 30 HH11 ARG 30 -4.670 8.251 -9.141 281 HH12 ARG 30 HH12 ARG 30 -6.143 8.332 -10.048 282 HH21 ARG 30 HH21 ARG 30 -8.110 6.892 -7.543 283 HH22 ARG 30 HH22 ARG 30 -8.096 7.561 -9.141 284 H ARG 31 HN ARG 31 -2.931 9.218 -1.919 285 HA ARG 31 HA ARG 31 -3.556 6.947 -0.405 286 HE ARG 31 HE ARG 31 -0.940 7.889 4.016 287 HB2 ARG 31 HB2 ARG 31 -1.525 8.552 -0.255 288 HB3 ARG 31 HB1 ARG 31 -2.539 9.489 0.833 289 HG2 ARG 31 HG2 ARG 31 -2.558 7.832 2.454 290 HG3 ARG 31 HG1 ARG 31 -2.101 6.570 1.307 291 HD2 ARG 31 HD2 ARG 31 0.032 6.850 1.852 292 HD3 ARG 31 HD1 ARG 31 -0.049 8.521 1.300 293 HH11 ARG 31 HH11 ARG 31 1.429 9.365 1.910 294 HH12 ARG 31 HH12 ARG 31 2.147 10.301 3.176 295 HH21 ARG 31 HH21 ARG 31 0.012 9.119 5.674 296 HH22 ARG 31 HH22 ARG 31 1.347 10.161 5.309 297 H GLN 32 HN GLN 32 -4.704 10.291 -0.169 298 HA GLN 32 HA GLN 32 -6.333 9.885 2.111 299 HB2 GLN 32 HB2 GLN 32 -7.172 12.068 1.720 300 HB3 GLN 32 HB1 GLN 32 -5.488 12.098 1.216 301 HG2 GLN 32 HG2 GLN 32 -6.112 11.993 -1.092 302 HG3 GLN 32 HG1 GLN 32 -7.806 11.750 -0.670 303 HE21 GLN 32 HE21 GLN 32 -8.984 13.487 0.206 304 HE22 GLN 32 HE22 GLN 32 -8.476 15.122 -0.024 305 H GLN 33 HN GLN 33 -6.954 9.733 -1.362 306 HA GLN 33 HA GLN 33 -9.758 9.402 -1.176 307 HB2 GLN 33 HB2 GLN 33 -7.725 8.819 -3.311 308 HB3 GLN 33 HB1 GLN 33 -9.404 8.342 -3.516 309 HG2 GLN 33 HG2 GLN 33 -9.211 11.086 -2.663 310 HG3 GLN 33 HG1 GLN 33 -8.260 10.803 -4.120 311 HE21 GLN 33 HE21 GLN 33 -11.168 11.776 -3.090 312 HE22 GLN 33 HE22 GLN 33 -12.149 11.311 -4.433 313 H LEU 34 HN LEU 34 -7.074 7.105 -1.453 314 HA LEU 34 HA LEU 34 -8.651 4.773 -1.537 315 HG LEU 34 HG LEU 34 -7.373 2.967 -2.205 316 HB2 LEU 34 HB2 LEU 34 -5.865 5.442 -1.414 317 HB3 LEU 34 HB1 LEU 34 -6.199 4.175 -0.249 318 HD11 LEU 34 HD11 LEU 34 -6.019 5.229 -3.576 319 HD12 LEU 34 HD12 LEU 34 -7.550 4.435 -3.943 320 HD13 LEU 34 HD13 LEU 34 -6.027 3.650 -4.362 321 HD21 LEU 34 HD21 LEU 34 -4.788 2.916 -1.189 322 HD22 LEU 34 HD22 LEU 34 -4.575 2.937 -2.939 323 HD23 LEU 34 HD23 LEU 34 -5.557 1.681 -2.187 324 H SER 35 HN SER 35 -7.261 6.618 1.129 325 HA SER 35 HA SER 35 -7.822 4.816 3.200 326 HG SER 35 HG SER 35 -8.197 8.471 4.445 327 HB2 SER 35 HB2 SER 35 -7.339 6.576 4.681 328 HB3 SER 35 HB1 SER 35 -6.410 6.983 3.239 329 H SER 36 HN SER 36 -9.708 7.537 1.934 330 HA SER 36 HA SER 36 -11.911 7.162 3.684 331 HG SER 36 HG SER 36 -11.415 10.375 2.410 332 HB2 SER 36 HB2 SER 36 -12.151 8.478 0.994 333 HB3 SER 36 HB1 SER 36 -12.964 8.886 2.504 334 H GLU 37 HN GLU 37 -11.395 6.262 0.280 335 HA GLU 37 HA GLU 37 -13.923 5.080 -0.090 336 HB2 GLU 37 HB2 GLU 37 -11.401 5.246 -1.578 337 HB3 GLU 37 HB1 GLU 37 -12.332 3.792 -1.906 338 HG2 GLU 37 HG2 GLU 37 -14.106 6.011 -1.917 339 HG3 GLU 37 HG1 GLU 37 -12.714 6.402 -2.924 340 H LEU 38 HN LEU 38 -10.804 3.651 0.856 341 HA LEU 38 HA LEU 38 -11.982 1.007 0.984 342 HG LEU 38 HG LEU 38 -10.217 0.906 -0.792 343 HB2 LEU 38 HB2 LEU 38 -9.253 2.132 1.306 344 HB3 LEU 38 HB1 LEU 38 -9.600 0.624 2.123 345 HD11 LEU 38 HD11 LEU 38 -7.588 1.066 0.401 346 HD12 LEU 38 HD12 LEU 38 -8.077 1.251 -1.284 347 HD13 LEU 38 HD13 LEU 38 -7.747 -0.355 -0.634 348 HD21 LEU 38 HD21 LEU 38 -9.964 -1.237 1.211 349 HD22 LEU 38 HD22 LEU 38 -9.293 -1.593 -0.381 350 HD23 LEU 38 HD23 LEU 38 -10.988 -1.133 -0.220 351 H GLY 39 HN GLY 39 -11.464 3.660 3.114 352 HA2 GLY 39 HA2 GLY 39 -12.282 3.934 5.265 353 HA3 GLY 39 HA1 GLY 39 -12.806 2.257 5.245 354 H LEU 40 HN LEU 40 -9.529 3.266 4.536 355 HA LEU 40 HA LEU 40 -8.665 2.038 7.073 356 HG LEU 40 HG LEU 40 -9.129 0.185 5.093 357 HB2 LEU 40 HB2 LEU 40 -7.371 1.971 4.350 358 HB3 LEU 40 HB1 LEU 40 -6.537 1.498 5.818 359 HD11 LEU 40 HD11 LEU 40 -8.272 -0.643 3.218 360 HD12 LEU 40 HD12 LEU 40 -7.104 -1.510 4.215 361 HD13 LEU 40 HD13 LEU 40 -6.693 0.070 3.547 362 HD21 LEU 40 HD21 LEU 40 -8.368 -0.355 7.257 363 HD22 LEU 40 HD22 LEU 40 -6.701 -0.543 6.711 364 HD23 LEU 40 HD23 LEU 40 -7.922 -1.726 6.241 365 H ASN 41 HN ASN 41 -6.348 2.758 7.645 366 HA ASN 41 HA ASN 41 -6.387 5.642 7.786 367 HB2 ASN 41 HB2 ASN 41 -5.755 4.065 9.695 368 HB3 ASN 41 HB1 ASN 41 -4.224 3.831 8.855 369 HD21 ASN 41 HD21 ASN 41 -3.777 4.729 11.176 370 HD22 ASN 41 HD22 ASN 41 -3.502 6.433 11.239 371 H GLU 42 HN GLU 42 -4.989 7.056 6.846 372 HA GLU 42 HA GLU 42 -3.884 6.511 4.378 373 HB2 GLU 42 HB2 GLU 42 -3.005 8.633 6.344 374 HB3 GLU 42 HB1 GLU 42 -2.652 8.630 4.623 375 HG2 GLU 42 HG2 GLU 42 -5.230 8.533 4.357 376 HG3 GLU 42 HG1 GLU 42 -5.242 9.113 6.022 377 H ALA 43 HN ALA 43 -2.363 6.363 7.558 378 HA ALA 43 HA ALA 43 0.282 5.941 6.671 379 HB1 ALA 43 HB1 ALA 43 -0.370 6.612 8.978 380 HB2 ALA 43 HB2 ALA 43 0.770 5.267 8.920 381 HB3 ALA 43 HB3 ALA 43 -0.936 4.963 9.249 382 H GLN 44 HN GLN 44 -2.423 3.772 7.217 383 HA GLN 44 HA GLN 44 -0.932 1.357 7.065 384 HB2 GLN 44 HB2 GLN 44 -3.737 2.140 7.255 385 HB3 GLN 44 HB1 GLN 44 -3.503 0.725 6.237 386 HG2 GLN 44 HG2 GLN 44 -3.681 -0.361 8.193 387 HG3 GLN 44 HG1 GLN 44 -1.968 0.034 8.321 388 HE21 GLN 44 HE21 GLN 44 -1.786 2.498 9.120 389 HE22 GLN 44 HE22 GLN 44 -2.630 2.786 10.600 390 H ILE 45 HN ILE 45 -2.731 3.282 4.704 391 HA ILE 45 HA ILE 45 -2.427 1.499 2.531 392 HB ILE 45 HB ILE 45 -2.679 4.502 2.350 393 HG12 ILE 45 HG12 ILE 45 -5.084 2.795 2.101 394 HG13 ILE 45 HG11 ILE 45 -4.422 2.950 3.726 395 HG21 ILE 45 HG21 ILE 45 -2.109 3.453 0.252 396 HG22 ILE 45 HG22 ILE 45 -3.789 3.987 0.206 397 HG23 ILE 45 HG23 ILE 45 -3.412 2.281 0.448 398 HD11 ILE 45 HD11 ILE 45 -5.580 4.827 3.895 399 HD12 ILE 45 HD12 ILE 45 -5.956 4.825 2.173 400 HD13 ILE 45 HD13 ILE 45 -4.450 5.539 2.743 401 H LYS 46 HN LYS 46 -0.539 4.287 3.632 402 HA LYS 46 HA LYS 46 1.326 4.357 1.552 403 HB2 LYS 46 HB2 LYS 46 0.949 6.037 3.465 404 HB3 LYS 46 HB1 LYS 46 2.014 5.006 4.410 405 HG2 LYS 46 HG2 LYS 46 3.416 5.389 2.069 406 HG3 LYS 46 HG1 LYS 46 2.647 6.952 2.352 407 HD2 LYS 46 HD2 LYS 46 4.612 7.182 3.539 408 HD3 LYS 46 HD1 LYS 46 3.508 6.615 4.793 409 HE2 LYS 46 HE2 LYS 46 5.481 5.344 5.043 410 HE3 LYS 46 HE1 LYS 46 4.313 4.278 4.263 411 HZ1 LYS 46 HZ1 LYS 46 6.276 3.976 3.075 412 HZ2 LYS 46 HZ2 LYS 46 6.653 5.625 3.064 413 HZ3 LYS 46 HZ3 LYS 46 5.389 5.041 2.104 414 H ILE 47 HN ILE 47 1.390 2.605 4.642 415 HA ILE 47 HA ILE 47 3.944 1.470 4.325 416 HB ILE 47 HB ILE 47 1.571 0.432 5.881 417 HG12 ILE 47 HG12 ILE 47 4.008 1.789 7.001 418 HG13 ILE 47 HG11 ILE 47 2.652 2.734 6.397 419 HG21 ILE 47 HG21 ILE 47 4.417 -0.485 5.732 420 HG22 ILE 47 HG22 ILE 47 2.935 -1.440 5.690 421 HG23 ILE 47 HG23 ILE 47 3.471 -0.711 7.203 422 HD11 ILE 47 HD11 ILE 47 1.314 2.172 8.132 423 HD12 ILE 47 HD12 ILE 47 2.875 1.997 8.933 424 HD13 ILE 47 HD13 ILE 47 2.036 0.574 8.317 425 H TRP 48 HN TRP 48 0.730 0.340 3.343 426 HA TRP 48 HA TRP 48 1.482 -2.230 2.505 427 HD1 TRP 48 HD1 TRP 48 -1.304 -4.121 2.076 428 HE1 TRP 48 HE1 TRP 48 -1.727 -5.310 -0.166 429 HE3 TRP 48 HE3 TRP 48 -0.040 -0.324 -1.111 430 HZ2 TRP 48 HZ2 TRP 48 -1.547 -4.719 -2.919 431 HZ3 TRP 48 HZ3 TRP 48 -0.190 -0.722 -3.534 432 HH2 TRP 48 HH2 TRP 48 -0.929 -2.874 -4.418 433 HB2 TRP 48 HB2 TRP 48 -0.864 -1.633 2.759 434 HB3 TRP 48 HB1 TRP 48 -0.730 -0.442 1.467 435 H PHE 49 HN PHE 49 1.314 0.830 0.717 436 HA PHE 49 HA PHE 49 2.085 -0.220 -1.780 437 HD1 PHE 49 HD1 PHE 49 -0.597 1.783 -1.273 438 HD2 PHE 49 HD2 PHE 49 2.565 2.170 -4.093 439 HE1 PHE 49 HE1 PHE 49 -2.244 1.901 -3.098 440 HE2 PHE 49 HE2 PHE 49 0.925 2.290 -5.921 441 HZ PHE 49 HZ PHE 49 -1.483 2.156 -5.426 442 HB2 PHE 49 HB2 PHE 49 1.689 2.420 -0.595 443 HB3 PHE 49 HB1 PHE 49 2.998 2.399 -1.772 444 H GLN 50 HN GLN 50 3.968 1.331 0.802 445 HA GLN 50 HA GLN 50 6.465 1.170 -0.487 446 HB2 GLN 50 HB2 GLN 50 5.940 2.594 1.505 447 HB3 GLN 50 HB1 GLN 50 5.946 1.138 2.490 448 HG2 GLN 50 HG2 GLN 50 8.358 1.216 0.991 449 HG3 GLN 50 HG1 GLN 50 8.123 2.785 1.757 450 HE21 GLN 50 HE21 GLN 50 7.286 2.521 4.114 451 HE22 GLN 50 HE22 GLN 50 8.185 1.407 5.080 452 H ASN 51 HN ASN 51 4.757 -1.045 1.666 453 HA ASN 51 HA ASN 51 6.891 -2.911 1.902 454 HB2 ASN 51 HB2 ASN 51 4.009 -2.847 2.626 455 HB3 ASN 51 HB1 ASN 51 4.760 -4.432 2.476 456 HD21 ASN 51 HD21 ASN 51 3.890 -3.981 4.859 457 HD22 ASN 51 HD22 ASN 51 5.139 -3.535 5.966 458 H LYS 52 HN LYS 52 4.190 -2.535 -0.316 459 HA LYS 52 HA LYS 52 4.392 -5.071 -1.552 460 HB2 LYS 52 HB2 LYS 52 2.593 -3.071 -1.699 461 HB3 LYS 52 HB1 LYS 52 3.476 -2.777 -3.189 462 HG2 LYS 52 HG2 LYS 52 2.762 -5.579 -2.776 463 HG3 LYS 52 HG1 LYS 52 1.376 -4.494 -2.901 464 HD2 LYS 52 HD2 LYS 52 2.115 -3.687 -5.030 465 HD3 LYS 52 HD1 LYS 52 3.650 -4.545 -4.879 466 HE2 LYS 52 HE2 LYS 52 0.942 -5.865 -5.018 467 HE3 LYS 52 HE1 LYS 52 2.039 -5.672 -6.385 468 HZ1 LYS 52 HZ1 LYS 52 3.692 -6.978 -5.148 469 HZ2 LYS 52 HZ2 LYS 52 2.280 -7.857 -5.452 470 HZ3 LYS 52 HZ3 LYS 52 2.565 -7.225 -3.909 471 H ARG 53 HN ARG 53 5.886 -1.945 -2.211 472 HA ARG 53 HA ARG 53 7.108 -2.674 -4.656 473 HE ARG 53 HE ARG 53 9.535 2.046 -6.354 474 HB2 ARG 53 HB2 ARG 53 6.752 -0.328 -3.733 475 HB3 ARG 53 HB1 ARG 53 8.157 -0.616 -2.717 476 HG2 ARG 53 HG2 ARG 53 9.576 -0.232 -4.387 477 HG3 ARG 53 HG1 ARG 53 8.660 -1.236 -5.510 478 HD2 ARG 53 HD2 ARG 53 7.805 0.563 -6.493 479 HD3 ARG 53 HD1 ARG 53 7.200 1.167 -4.951 480 HH11 ARG 53 HH11 ARG 53 8.087 1.720 -3.196 481 HH12 ARG 53 HH12 ARG 53 9.025 2.997 -2.496 482 HH21 ARG 53 HH21 ARG 53 10.769 3.726 -5.437 483 HH22 ARG 53 HH22 ARG 53 10.547 4.136 -3.769 484 H ALA 54 HN ALA 54 8.013 -3.069 -1.307 485 HA ALA 54 HA ALA 54 10.745 -3.703 -1.753 486 HB1 ALA 54 HB1 ALA 54 10.732 -4.511 0.547 487 HB2 ALA 54 HB2 ALA 54 8.971 -4.431 0.575 488 HB3 ALA 54 HB3 ALA 54 9.920 -2.952 0.420 489 H LYS 55 HN LYS 55 7.845 -5.456 -2.234 490 HA LYS 55 HA LYS 55 8.910 -8.080 -1.856 491 HB2 LYS 55 HB2 LYS 55 6.417 -6.994 -3.137 492 HB3 LYS 55 HB1 LYS 55 6.824 -8.700 -3.253 493 HG2 LYS 55 HG2 LYS 55 7.062 -8.472 -0.640 494 HG3 LYS 55 HG1 LYS 55 5.977 -7.105 -0.896 495 HD2 LYS 55 HD2 LYS 55 5.428 -9.862 -1.974 496 HD3 LYS 55 HD1 LYS 55 4.867 -9.319 -0.392 497 HE2 LYS 55 HE2 LYS 55 3.283 -7.966 -1.271 498 HE3 LYS 55 HE1 LYS 55 4.282 -7.520 -2.653 499 HZ1 LYS 55 HZ1 LYS 55 2.155 -9.202 -2.716 500 HZ2 LYS 55 HZ2 LYS 55 3.465 -10.272 -2.695 501 HZ3 LYS 55 HZ3 LYS 55 3.355 -9.094 -3.905 502 H ILE 56 HN ILE 56 8.745 -5.822 -4.510 503 HA ILE 56 HA ILE 56 9.407 -7.732 -6.544 504 HB ILE 56 HB ILE 56 9.717 -4.734 -6.686 505 HG12 ILE 56 HG12 ILE 56 7.309 -6.301 -7.599 506 HG13 ILE 56 HG11 ILE 56 7.409 -5.611 -5.982 507 HG21 ILE 56 HG21 ILE 56 10.737 -6.347 -8.434 508 HG22 ILE 56 HG22 ILE 56 9.803 -4.958 -8.990 509 HG23 ILE 56 HG23 ILE 56 9.069 -6.560 -8.964 510 HD11 ILE 56 HD11 ILE 56 6.726 -4.356 -8.472 511 HD12 ILE 56 HD12 ILE 56 8.086 -3.532 -7.707 512 HD13 ILE 56 HD13 ILE 56 6.574 -3.746 -6.824 513 H LYS 57 HN LYS 57 11.212 -5.072 -4.995 514 HA LYS 57 HA LYS 57 13.696 -5.878 -6.169 515 HB2 LYS 57 HB2 LYS 57 12.766 -3.740 -4.352 516 HB3 LYS 57 HB1 LYS 57 14.444 -4.224 -4.156 517 HG2 LYS 57 HG2 LYS 57 13.279 -3.490 -6.824 518 HG3 LYS 57 HG1 LYS 57 13.993 -2.301 -5.731 519 HD2 LYS 57 HD2 LYS 57 16.115 -3.091 -6.038 520 HD3 LYS 57 HD1 LYS 57 15.571 -4.741 -6.352 521 HE2 LYS 57 HE2 LYS 57 14.712 -3.991 -8.550 522 HE3 LYS 57 HE1 LYS 57 15.380 -2.390 -8.232 523 HZ1 LYS 57 HZ1 LYS 57 17.042 -3.365 -9.450 524 HZ2 LYS 57 HZ2 LYS 57 16.787 -4.907 -8.803 525 HZ3 LYS 57 HZ3 LYS 57 17.562 -3.722 -7.880 526 H LYS 58 HN LYS 58 13.197 -8.167 -5.287 527 HA LYS 58 HA LYS 58 13.840 -8.598 -2.513 528 HB2 LYS 58 HB2 LYS 58 12.460 -10.037 -4.401 529 HB3 LYS 58 HB1 LYS 58 13.976 -10.922 -4.300 530 HG2 LYS 58 HG2 LYS 58 12.777 -11.994 -2.690 531 HG3 LYS 58 HG1 LYS 58 13.534 -10.733 -1.715 532 HD2 LYS 58 HD2 LYS 58 11.575 -9.702 -1.306 533 HD3 LYS 58 HD1 LYS 58 10.984 -9.963 -2.949 534 HE2 LYS 58 HE2 LYS 58 10.384 -12.238 -2.418 535 HE3 LYS 58 HE1 LYS 58 11.101 -12.090 -0.815 536 HZ1 LYS 58 HZ1 LYS 58 9.286 -11.091 -0.025 537 HZ2 LYS 58 HZ2 LYS 58 8.499 -11.662 -1.408 538 HZ3 LYS 58 HZ3 LYS 58 9.115 -10.087 -1.376 539 H SER 59 HN SER 59 15.678 -9.656 -1.703 540 HA SER 59 HA SER 59 17.975 -9.821 -3.531 541 HG SER 59 HG SER 59 18.279 -6.688 -1.787 542 HB2 SER 59 HB2 SER 59 18.404 -8.868 -0.728 543 HB3 SER 59 HB1 SER 59 19.355 -8.549 -2.178 Start of MODEL 16 1 HA MET -1 HA MET -1 0.038 -8.068 25.439 2 H1 MET -1 HT1 MET -1 -1.377 -6.266 23.701 3 H2 MET -1 HT2 MET -1 -1.334 -6.370 25.413 4 H3 MET -1 HT3 MET -1 -2.339 -7.429 24.514 5 HB2 MET -1 HB2 MET -1 -0.031 -9.867 23.699 6 HB3 MET -1 HB1 MET -1 -1.553 -9.632 24.549 7 HG2 MET -1 HG2 MET -1 -2.156 -8.102 22.557 8 HG3 MET -1 HG1 MET -1 -0.835 -8.932 21.736 9 HE1 MET -1 HE1 MET -1 -4.256 -8.945 23.184 10 HE2 MET -1 HE2 MET -1 -3.847 -10.321 24.208 11 HE3 MET -1 HE3 MET -1 -4.946 -10.532 22.844 12 H ASP 0 HN ASP 0 -0.452 -6.858 22.122 13 HA ASP 0 HA ASP 0 2.355 -6.963 21.523 14 HB2 ASP 0 HB2 ASP 0 1.701 -5.891 19.395 15 HB3 ASP 0 HB1 ASP 0 0.720 -7.310 19.748 16 H GLU 1 HN GLU 1 3.083 -4.749 20.293 17 HA GLU 1 HA GLU 1 3.446 -2.883 22.442 18 HB2 GLU 1 HB2 GLU 1 5.257 -3.414 20.858 19 HB3 GLU 1 HB1 GLU 1 4.316 -2.711 19.552 20 HG2 GLU 1 HG2 GLU 1 4.994 -1.078 21.957 21 HG3 GLU 1 HG1 GLU 1 6.186 -1.326 20.682 22 H LYS 2 HN LYS 2 1.951 -2.705 19.216 23 HA LYS 2 HA LYS 2 -0.214 -1.131 20.038 24 HB2 LYS 2 HB2 LYS 2 2.029 0.411 20.018 25 HB3 LYS 2 HB1 LYS 2 1.449 0.650 18.375 26 HG2 LYS 2 HG2 LYS 2 -0.676 1.439 19.188 27 HG3 LYS 2 HG1 LYS 2 -0.209 1.078 20.851 28 HD2 LYS 2 HD2 LYS 2 1.544 2.745 20.758 29 HD3 LYS 2 HD1 LYS 2 1.196 3.054 19.056 30 HE2 LYS 2 HE2 LYS 2 -0.476 4.443 19.557 31 HE3 LYS 2 HE1 LYS 2 -1.170 3.308 20.713 32 HZ1 LYS 2 HZ1 LYS 2 0.363 4.088 22.382 33 HZ2 LYS 2 HZ2 LYS 2 -0.493 5.402 21.749 34 HZ3 LYS 2 HZ3 LYS 2 1.108 5.129 21.276 35 H ARG 3 HN ARG 3 2.014 -1.884 17.408 36 HA ARG 3 HA ARG 3 -0.301 -2.397 15.683 37 HE ARG 3 HE ARG 3 -0.060 2.446 16.570 38 HB2 ARG 3 HB2 ARG 3 2.161 -0.886 14.792 39 HB3 ARG 3 HB1 ARG 3 0.784 -1.313 13.787 40 HG2 ARG 3 HG2 ARG 3 -0.131 0.633 14.304 41 HG3 ARG 3 HG1 ARG 3 -0.276 0.078 15.973 42 HD2 ARG 3 HD2 ARG 3 2.015 0.915 16.403 43 HD3 ARG 3 HD1 ARG 3 2.060 1.548 14.758 44 HH11 ARG 3 HH11 ARG 3 2.853 3.163 14.773 45 HH12 ARG 3 HH12 ARG 3 2.670 4.876 14.930 46 HH21 ARG 3 HH21 ARG 3 -0.289 4.696 16.775 47 HH22 ARG 3 HH22 ARG 3 0.891 5.747 16.065 48 HA PRO 4 HA PRO 4 2.513 -6.009 15.559 49 HB2 PRO 4 HB2 PRO 4 0.558 -7.830 15.089 50 HB3 PRO 4 HB1 PRO 4 0.953 -7.242 16.708 51 HG2 PRO 4 HG2 PRO 4 -1.265 -6.413 14.881 52 HG3 PRO 4 HG1 PRO 4 -1.302 -6.697 16.630 53 HD2 PRO 4 HD2 PRO 4 -1.169 -4.213 15.542 54 HD3 PRO 4 HD1 PRO 4 -0.450 -4.617 17.112 55 H ARG 5 HN ARG 5 -0.292 -5.611 13.380 56 HA ARG 5 HA ARG 5 1.309 -5.450 11.050 57 HE ARG 5 HE ARG 5 3.762 -7.434 7.988 58 HB2 ARG 5 HB2 ARG 5 1.303 -7.978 11.821 59 HB3 ARG 5 HB1 ARG 5 -0.277 -7.982 11.049 60 HG2 ARG 5 HG2 ARG 5 0.958 -8.585 9.259 61 HG3 ARG 5 HG1 ARG 5 1.127 -6.837 9.094 62 HD2 ARG 5 HD2 ARG 5 3.157 -7.510 10.835 63 HD3 ARG 5 HD1 ARG 5 3.127 -8.863 9.707 64 HH11 ARG 5 HH11 ARG 5 3.249 -5.645 10.946 65 HH12 ARG 5 HH12 ARG 5 4.024 -4.215 10.358 66 HH21 ARG 5 HH21 ARG 5 4.780 -5.552 7.221 67 HH22 ARG 5 HH22 ARG 5 4.892 -4.160 8.246 68 H THR 6 HN THR 6 0.059 -5.169 9.118 69 HA THR 6 HA THR 6 -2.620 -4.172 9.697 70 HB THR 6 HB THR 6 -2.336 -3.434 7.182 71 HG1 THR 6 HG1 THR 6 -0.108 -3.081 6.733 72 HG21 THR 6 HG21 THR 6 -2.406 -1.602 8.493 73 HG22 THR 6 HG22 THR 6 -0.686 -1.563 8.101 74 HG23 THR 6 HG23 THR 6 -1.225 -2.236 9.640 75 H ALA 7 HN ALA 7 -4.212 -5.613 9.542 76 HA ALA 7 HA ALA 7 -4.041 -7.772 7.583 77 HB1 ALA 7 HB1 ALA 7 -4.844 -8.862 9.365 78 HB2 ALA 7 HB2 ALA 7 -6.398 -8.157 8.919 79 HB3 ALA 7 HB3 ALA 7 -5.395 -7.378 10.142 80 H PHE 8 HN PHE 8 -4.469 -6.748 5.641 81 HA PHE 8 HA PHE 8 -6.741 -5.031 5.301 82 HD1 PHE 8 HD1 PHE 8 -2.974 -5.463 4.734 83 HD2 PHE 8 HD2 PHE 8 -5.939 -2.873 3.118 84 HE1 PHE 8 HE1 PHE 8 -1.505 -3.532 5.143 85 HE2 PHE 8 HE2 PHE 8 -4.474 -0.938 3.523 86 HZ PHE 8 HZ PHE 8 -2.254 -1.267 4.536 87 HB2 PHE 8 HB2 PHE 8 -4.833 -6.304 3.335 88 HB3 PHE 8 HB1 PHE 8 -6.133 -5.218 2.858 89 H SER 9 HN SER 9 -7.985 -5.709 3.050 90 HA SER 9 HA SER 9 -9.144 -8.365 3.590 91 HG SER 9 HG SER 9 -10.501 -5.113 2.174 92 HB2 SER 9 HB2 SER 9 -11.297 -7.550 3.313 93 HB3 SER 9 HB1 SER 9 -10.517 -6.161 4.069 94 H SER 10 HN SER 10 -10.102 -9.439 1.711 95 HA SER 10 HA SER 10 -8.399 -9.578 -0.471 96 HG SER 10 HG SER 10 -11.504 -10.927 0.932 97 HB2 SER 10 HB2 SER 10 -11.211 -10.244 -1.061 98 HB3 SER 10 HB1 SER 10 -9.760 -11.236 -1.204 99 H GLU 11 HN GLU 11 -11.358 -7.694 -0.051 100 HA GLU 11 HA GLU 11 -11.542 -6.708 -2.683 101 HB2 GLU 11 HB2 GLU 11 -12.743 -6.101 -0.077 102 HB3 GLU 11 HB1 GLU 11 -12.598 -4.698 -1.127 103 HG2 GLU 11 HG2 GLU 11 -14.419 -5.330 -2.199 104 HG3 GLU 11 HG1 GLU 11 -13.595 -6.802 -2.711 105 H GLN 12 HN GLN 12 -9.977 -5.420 0.225 106 HA GLN 12 HA GLN 12 -9.016 -3.042 -0.984 107 HB2 GLN 12 HB2 GLN 12 -8.110 -4.579 1.453 108 HB3 GLN 12 HB1 GLN 12 -7.414 -3.037 0.977 109 HG2 GLN 12 HG2 GLN 12 -9.301 -1.859 1.524 110 HG3 GLN 12 HG1 GLN 12 -10.364 -3.250 1.324 111 HE21 GLN 12 HE21 GLN 12 -11.101 -2.245 3.431 112 HE22 GLN 12 HE22 GLN 12 -10.374 -2.858 4.873 113 H LEU 13 HN LEU 13 -7.839 -6.310 -0.769 114 HA LEU 13 HA LEU 13 -5.162 -5.861 -1.525 115 HG LEU 13 HG LEU 13 -5.445 -9.185 0.007 116 HB2 LEU 13 HB2 LEU 13 -7.002 -8.180 -1.382 117 HB3 LEU 13 HB1 LEU 13 -5.608 -8.358 -2.428 118 HD11 LEU 13 HD11 LEU 13 -3.088 -8.629 0.099 119 HD12 LEU 13 HD12 LEU 13 -3.325 -7.355 -1.097 120 HD13 LEU 13 HD13 LEU 13 -3.567 -9.043 -1.547 121 HD21 LEU 13 HD21 LEU 13 -6.151 -6.575 0.578 122 HD22 LEU 13 HD22 LEU 13 -4.414 -6.611 0.871 123 HD23 LEU 13 HD23 LEU 13 -5.473 -7.745 1.707 124 H ALA 14 HN ALA 14 -8.016 -6.820 -3.422 125 HA ALA 14 HA ALA 14 -6.725 -6.892 -5.922 126 HB1 ALA 14 HB1 ALA 14 -8.699 -7.875 -6.280 127 HB2 ALA 14 HB2 ALA 14 -9.336 -6.246 -6.506 128 HB3 ALA 14 HB3 ALA 14 -9.460 -7.030 -4.932 129 H ARG 15 HN ARG 15 -8.577 -4.327 -4.312 130 HA ARG 15 HA ARG 15 -8.409 -2.435 -6.385 131 HE ARG 15 HE ARG 15 -11.892 0.528 -4.497 132 HB2 ARG 15 HB2 ARG 15 -9.740 -2.518 -4.054 133 HB3 ARG 15 HB1 ARG 15 -8.414 -1.465 -3.578 134 HG2 ARG 15 HG2 ARG 15 -9.845 0.121 -4.307 135 HG3 ARG 15 HG1 ARG 15 -9.090 -0.260 -5.855 136 HD2 ARG 15 HD2 ARG 15 -11.007 -1.028 -6.692 137 HD3 ARG 15 HD1 ARG 15 -11.293 -2.046 -5.281 138 HH11 ARG 15 HH11 ARG 15 -13.033 -1.716 -6.914 139 HH12 ARG 15 HH12 ARG 15 -14.645 -1.084 -6.921 140 HH21 ARG 15 HH21 ARG 15 -14.012 1.361 -4.505 141 HH22 ARG 15 HH22 ARG 15 -15.201 0.663 -5.554 142 H LEU 16 HN LEU 16 -6.379 -2.966 -3.526 143 HA LEU 16 HA LEU 16 -4.599 -0.831 -4.006 144 HG LEU 16 HG LEU 16 -5.780 -1.340 -1.651 145 HB2 LEU 16 HB2 LEU 16 -4.331 -3.389 -2.440 146 HB3 LEU 16 HB1 LEU 16 -3.051 -2.193 -2.512 147 HD11 LEU 16 HD11 LEU 16 -5.635 -2.187 0.455 148 HD12 LEU 16 HD12 LEU 16 -3.873 -2.255 0.428 149 HD13 LEU 16 HD13 LEU 16 -4.816 -3.480 -0.422 150 HD21 LEU 16 HD21 LEU 16 -2.953 -0.456 -1.149 151 HD22 LEU 16 HD22 LEU 16 -4.309 0.126 -0.184 152 HD23 LEU 16 HD23 LEU 16 -4.265 0.438 -1.920 153 H LYS 17 HN LYS 17 -4.525 -4.249 -4.933 154 HA LYS 17 HA LYS 17 -1.954 -4.246 -6.077 155 HB2 LYS 17 HB2 LYS 17 -4.247 -6.039 -5.986 156 HB3 LYS 17 HB1 LYS 17 -3.419 -6.109 -7.534 157 HG2 LYS 17 HG2 LYS 17 -1.286 -6.285 -5.993 158 HG3 LYS 17 HG1 LYS 17 -2.470 -6.893 -4.833 159 HD2 LYS 17 HD2 LYS 17 -3.156 -8.266 -7.083 160 HD3 LYS 17 HD1 LYS 17 -1.408 -8.127 -7.278 161 HE2 LYS 17 HE2 LYS 17 -0.962 -9.375 -5.403 162 HE3 LYS 17 HE1 LYS 17 -2.494 -8.960 -4.632 163 HZ1 LYS 17 HZ1 LYS 17 -3.008 -11.050 -5.242 164 HZ2 LYS 17 HZ2 LYS 17 -1.875 -11.100 -6.498 165 HZ3 LYS 17 HZ3 LYS 17 -3.363 -10.330 -6.733 166 H ARG 18 HN ARG 18 -5.112 -3.388 -7.346 167 HA ARG 18 HA ARG 18 -4.363 -3.221 -10.071 168 HE ARG 18 HE ARG 18 -9.803 -2.353 -11.319 169 HB2 ARG 18 HB2 ARG 18 -6.715 -2.840 -8.536 170 HB3 ARG 18 HB1 ARG 18 -6.463 -1.365 -9.459 171 HG2 ARG 18 HG2 ARG 18 -6.001 -3.415 -11.278 172 HG3 ARG 18 HG1 ARG 18 -7.388 -3.955 -10.331 173 HD2 ARG 18 HD2 ARG 18 -7.871 -1.257 -10.851 174 HD3 ARG 18 HD1 ARG 18 -7.224 -1.903 -12.358 175 HH11 ARG 18 HH11 ARG 18 -7.200 -4.040 -12.919 176 HH12 ARG 18 HH12 ARG 18 -8.245 -5.202 -13.665 177 HH21 ARG 18 HH21 ARG 18 -11.178 -3.880 -12.299 178 HH22 ARG 18 HH22 ARG 18 -10.504 -5.111 -13.314 179 H GLU 19 HN GLU 19 -4.731 -0.721 -7.560 180 HA GLU 19 HA GLU 19 -3.886 1.432 -9.172 181 HB2 GLU 19 HB2 GLU 19 -4.297 0.963 -6.273 182 HB3 GLU 19 HB1 GLU 19 -3.245 2.305 -6.706 183 HG2 GLU 19 HG2 GLU 19 -5.650 2.321 -8.294 184 HG3 GLU 19 HG1 GLU 19 -6.021 2.311 -6.571 185 H PHE 20 HN PHE 20 -2.135 -0.735 -6.998 186 HA PHE 20 HA PHE 20 0.354 0.559 -7.093 187 HD1 PHE 20 HD2 PHE 20 1.610 -0.028 -4.579 188 HD2 PHE 20 HD1 PHE 20 2.058 -3.128 -7.458 189 HE1 PHE 20 HE2 PHE 20 4.000 -0.197 -4.017 190 HE2 PHE 20 HE1 PHE 20 4.449 -3.304 -6.901 191 HZ PHE 20 HZ PHE 20 5.421 -1.836 -5.181 192 HB2 PHE 20 HB2 PHE 20 -0.324 -1.252 -5.486 193 HB3 PHE 20 HB1 PHE 20 -0.105 -2.413 -6.790 194 H ASN 21 HN ASN 21 -1.062 -1.948 -9.145 195 HA ASN 21 HA ASN 21 1.213 -2.477 -10.706 196 HB2 ASN 21 HB2 ASN 21 -1.683 -3.009 -10.893 197 HB3 ASN 21 HB1 ASN 21 -0.831 -2.973 -12.434 198 HD21 ASN 21 HD21 ASN 21 -0.635 -5.029 -12.996 199 HD22 ASN 21 HD22 ASN 21 0.049 -6.277 -12.015 200 H GLU 22 HN GLU 22 -1.079 0.128 -10.766 201 HA GLU 22 HA GLU 22 -0.352 1.006 -13.421 202 HB2 GLU 22 HB2 GLU 22 -2.011 2.340 -11.274 203 HB3 GLU 22 HB1 GLU 22 -1.816 2.940 -12.916 204 HG2 GLU 22 HG2 GLU 22 -2.936 1.026 -13.815 205 HG3 GLU 22 HG1 GLU 22 -2.987 0.256 -12.230 206 H ASN 23 HN ASN 23 0.375 1.901 -10.089 207 HA ASN 23 HA ASN 23 2.789 3.216 -10.936 208 HB2 ASN 23 HB2 ASN 23 0.863 4.928 -11.129 209 HB3 ASN 23 HB1 ASN 23 0.873 4.925 -9.368 210 HD21 ASN 23 HD21 ASN 23 1.346 7.255 -10.010 211 HD22 ASN 23 HD22 ASN 23 3.016 7.687 -10.112 212 H ARG 24 HN ARG 24 4.267 2.584 -9.536 213 HA ARG 24 HA ARG 24 3.593 1.464 -6.998 214 HE ARG 24 HE ARG 24 8.019 -0.523 -7.923 215 HB2 ARG 24 HB2 ARG 24 5.979 1.722 -8.671 216 HB3 ARG 24 HB1 ARG 24 6.323 1.830 -6.949 217 HG2 ARG 24 HG2 ARG 24 6.106 -0.359 -6.705 218 HG3 ARG 24 HG1 ARG 24 4.512 -0.337 -7.460 219 HD2 ARG 24 HD2 ARG 24 5.689 -1.713 -8.887 220 HD3 ARG 24 HD1 ARG 24 5.863 -0.146 -9.677 221 HH11 ARG 24 HH11 ARG 24 6.765 -1.792 -10.923 222 HH12 ARG 24 HH12 ARG 24 8.322 -2.251 -11.525 223 HH21 ARG 24 HH21 ARG 24 10.068 -1.125 -8.714 224 HH22 ARG 24 HH22 ARG 24 10.197 -1.874 -10.271 225 H TYR 25 HN TYR 25 3.683 4.618 -7.875 226 HA TYR 25 HA TYR 25 4.660 5.496 -5.244 227 HD1 TYR 25 HD2 TYR 25 6.125 4.775 -8.359 228 HD2 TYR 25 HD1 TYR 25 7.208 7.934 -5.723 229 HE1 TYR 25 HE2 TYR 25 8.489 4.128 -8.564 230 HE2 TYR 25 HE1 TYR 25 9.575 7.298 -5.922 231 HH TYR 25 HH TYR 25 11.042 6.107 -7.420 232 HB2 TYR 25 HB2 TYR 25 4.659 6.942 -7.899 233 HB3 TYR 25 HB1 TYR 25 5.002 7.731 -6.363 234 H LEU 26 HN LEU 26 3.317 6.677 -3.980 235 HA LEU 26 HA LEU 26 0.588 7.035 -4.975 236 HG LEU 26 HG LEU 26 0.769 4.690 -3.136 237 HB2 LEU 26 HB2 LEU 26 1.800 6.672 -2.281 238 HB3 LEU 26 HB1 LEU 26 0.304 7.575 -2.394 239 HD11 LEU 26 HD11 LEU 26 0.386 5.288 -0.750 240 HD12 LEU 26 HD12 LEU 26 -0.880 4.265 -1.430 241 HD13 LEU 26 HD13 LEU 26 -1.163 5.996 -1.218 242 HD21 LEU 26 HD21 LEU 26 -1.794 6.229 -3.486 243 HD22 LEU 26 HD22 LEU 26 -1.466 4.560 -3.944 244 HD23 LEU 26 HD23 LEU 26 -0.685 5.879 -4.811 245 H THR 27 HN THR 27 -0.530 8.904 -3.663 246 HA THR 27 HA THR 27 1.109 11.307 -3.537 247 HB THR 27 HB THR 27 -0.153 12.550 -5.109 248 HG1 THR 27 HG1 THR 27 -2.028 11.656 -6.097 249 HG21 THR 27 HG21 THR 27 0.334 11.599 -7.122 250 HG22 THR 27 HG22 THR 27 -0.186 9.991 -6.616 251 HG23 THR 27 HG23 THR 27 1.359 10.634 -6.059 252 H GLU 28 HN GLU 28 -0.288 13.181 -2.709 253 HA GLU 28 HA GLU 28 -1.535 12.439 -0.327 254 HB2 GLU 28 HB2 GLU 28 -0.637 14.723 -0.892 255 HB3 GLU 28 HB1 GLU 28 -2.074 14.983 -1.872 256 HG2 GLU 28 HG2 GLU 28 -3.409 14.500 0.234 257 HG3 GLU 28 HG1 GLU 28 -1.883 14.657 1.104 258 H ARG 29 HN ARG 29 -2.956 13.370 -3.434 259 HA ARG 29 HA ARG 29 -5.645 13.145 -2.716 260 HE ARG 29 HE ARG 29 -6.312 16.416 -6.483 261 HB2 ARG 29 HB2 ARG 29 -4.159 12.988 -5.310 262 HB3 ARG 29 HB1 ARG 29 -5.874 12.604 -5.269 263 HG2 ARG 29 HG2 ARG 29 -5.198 15.095 -3.905 264 HG3 ARG 29 HG1 ARG 29 -4.810 15.091 -5.627 265 HD2 ARG 29 HD2 ARG 29 -7.253 14.009 -5.737 266 HD3 ARG 29 HD1 ARG 29 -7.436 14.961 -4.264 267 HH11 ARG 29 HH11 ARG 29 -9.253 15.444 -4.872 268 HH12 ARG 29 HH12 ARG 29 -10.186 16.751 -5.519 269 HH21 ARG 29 HH21 ARG 29 -7.538 18.135 -7.334 270 HH22 ARG 29 HH22 ARG 29 -9.214 18.278 -6.917 271 H ARG 30 HN ARG 30 -3.447 10.717 -4.124 272 HA ARG 30 HA ARG 30 -5.392 8.677 -4.315 273 HE ARG 30 HE ARG 30 -2.292 5.517 -6.488 274 HB2 ARG 30 HB2 ARG 30 -2.577 8.989 -4.830 275 HB3 ARG 30 HB1 ARG 30 -2.874 7.464 -4.011 276 HG2 ARG 30 HG2 ARG 30 -4.137 6.620 -5.733 277 HG3 ARG 30 HG1 ARG 30 -4.568 8.221 -6.340 278 HD2 ARG 30 HD2 ARG 30 -2.947 8.027 -7.841 279 HD3 ARG 30 HD1 ARG 30 -1.776 8.059 -6.524 280 HH11 ARG 30 HH11 ARG 30 -2.042 7.535 -9.334 281 HH12 ARG 30 HH12 ARG 30 -1.541 6.234 -10.359 282 HH21 ARG 30 HH21 ARG 30 -1.629 3.815 -7.842 283 HH22 ARG 30 HH22 ARG 30 -1.306 4.126 -9.515 284 H ARG 31 HN ARG 31 -3.018 9.472 -1.809 285 HA ARG 31 HA ARG 31 -3.404 7.221 -0.194 286 HE ARG 31 HE ARG 31 0.867 10.045 1.136 287 HB2 ARG 31 HB2 ARG 31 -1.887 9.561 -0.085 288 HB3 ARG 31 HB1 ARG 31 -2.903 9.633 1.347 289 HG2 ARG 31 HG2 ARG 31 -1.597 8.184 2.384 290 HG3 ARG 31 HG1 ARG 31 -1.845 6.997 1.103 291 HD2 ARG 31 HD2 ARG 31 0.436 7.264 1.017 292 HD3 ARG 31 HD1 ARG 31 -0.086 8.453 -0.174 293 HH11 ARG 31 HH11 ARG 31 -0.005 7.358 3.182 294 HH12 ARG 31 HH12 ARG 31 0.671 8.063 4.611 295 HH21 ARG 31 HH21 ARG 31 1.759 10.976 3.015 296 HH22 ARG 31 HH22 ARG 31 1.672 10.117 4.517 297 H GLN 32 HN GLN 32 -4.874 10.445 0.012 298 HA GLN 32 HA GLN 32 -6.606 9.860 2.155 299 HB2 GLN 32 HB2 GLN 32 -5.929 12.147 1.319 300 HB3 GLN 32 HB1 GLN 32 -7.079 11.925 0.007 301 HG2 GLN 32 HG2 GLN 32 -8.345 11.369 2.516 302 HG3 GLN 32 HG1 GLN 32 -7.559 12.946 2.571 303 HE21 GLN 32 HE21 GLN 32 -9.819 10.967 0.738 304 HE22 GLN 32 HE22 GLN 32 -10.722 12.283 0.077 305 H GLN 33 HN GLN 33 -7.024 9.643 -1.352 306 HA GLN 33 HA GLN 33 -9.800 9.092 -1.288 307 HB2 GLN 33 HB2 GLN 33 -7.945 9.556 -3.274 308 HB3 GLN 33 HB1 GLN 33 -8.348 7.864 -3.513 309 HG2 GLN 33 HG2 GLN 33 -10.424 8.324 -4.235 310 HG3 GLN 33 HG1 GLN 33 -10.637 9.658 -3.102 311 HE21 GLN 33 HE21 GLN 33 -10.065 11.717 -3.706 312 HE22 GLN 33 HE22 GLN 33 -9.666 12.144 -5.331 313 H LEU 34 HN LEU 34 -6.936 7.008 -1.293 314 HA LEU 34 HA LEU 34 -8.304 4.559 -1.517 315 HG LEU 34 HG LEU 34 -6.911 3.286 -2.453 316 HB2 LEU 34 HB2 LEU 34 -5.636 5.407 -1.226 317 HB3 LEU 34 HB1 LEU 34 -5.937 4.309 0.107 318 HD11 LEU 34 HD11 LEU 34 -5.064 3.299 -3.716 319 HD12 LEU 34 HD12 LEU 34 -3.997 3.049 -2.335 320 HD13 LEU 34 HD13 LEU 34 -4.578 4.669 -2.718 321 HD21 LEU 34 HD21 LEU 34 -4.865 2.031 -0.666 322 HD22 LEU 34 HD22 LEU 34 -6.123 1.265 -1.638 323 HD23 LEU 34 HD23 LEU 34 -6.553 2.134 -0.165 324 H SER 35 HN SER 35 -7.299 6.456 1.297 325 HA SER 35 HA SER 35 -8.060 4.628 3.282 326 HG SER 35 HG SER 35 -5.785 6.538 3.959 327 HB2 SER 35 HB2 SER 35 -7.468 7.530 3.164 328 HB3 SER 35 HB1 SER 35 -8.437 6.994 4.538 329 H SER 36 HN SER 36 -9.845 7.329 1.833 330 HA SER 36 HA SER 36 -12.219 6.883 3.334 331 HG SER 36 HG SER 36 -11.654 10.181 2.089 332 HB2 SER 36 HB2 SER 36 -12.036 8.327 0.689 333 HB3 SER 36 HB1 SER 36 -13.215 8.575 1.977 334 H GLU 37 HN GLU 37 -11.190 5.919 0.093 335 HA GLU 37 HA GLU 37 -13.675 4.819 -0.700 336 HB2 GLU 37 HB2 GLU 37 -11.554 5.499 -2.091 337 HB3 GLU 37 HB1 GLU 37 -11.088 3.826 -1.822 338 HG2 GLU 37 HG2 GLU 37 -12.353 3.218 -3.524 339 HG3 GLU 37 HG1 GLU 37 -13.777 3.803 -2.664 340 H LEU 38 HN LEU 38 -10.667 3.216 0.361 341 HA LEU 38 HA LEU 38 -12.040 0.678 0.549 342 HG LEU 38 HG LEU 38 -9.653 1.297 -1.278 343 HB2 LEU 38 HB2 LEU 38 -9.207 1.536 1.090 344 HB3 LEU 38 HB1 LEU 38 -9.777 -0.092 1.396 345 HD11 LEU 38 HD11 LEU 38 -8.253 -1.219 -0.434 346 HD12 LEU 38 HD12 LEU 38 -7.538 0.376 -0.201 347 HD13 LEU 38 HD13 LEU 38 -7.925 -0.187 -1.826 348 HD21 LEU 38 HD21 LEU 38 -11.279 -0.922 -0.373 349 HD22 LEU 38 HD22 LEU 38 -10.195 -1.394 -1.682 350 HD23 LEU 38 HD23 LEU 38 -11.312 -0.048 -1.905 351 H GLY 39 HN GLY 39 -11.439 3.311 2.627 352 HA2 GLY 39 HA2 GLY 39 -12.120 3.626 4.811 353 HA3 GLY 39 HA1 GLY 39 -12.735 1.981 4.812 354 H LEU 40 HN LEU 40 -9.446 3.201 4.257 355 HA LEU 40 HA LEU 40 -8.583 1.694 6.638 356 HG LEU 40 HG LEU 40 -8.998 0.020 4.583 357 HB2 LEU 40 HB2 LEU 40 -7.227 1.914 3.953 358 HB3 LEU 40 HB1 LEU 40 -6.433 1.294 5.388 359 HD11 LEU 40 HD11 LEU 40 -7.466 -1.534 3.158 360 HD12 LEU 40 HD12 LEU 40 -6.458 -0.094 3.020 361 HD13 LEU 40 HD13 LEU 40 -8.128 -0.059 2.454 362 HD21 LEU 40 HD21 LEU 40 -6.572 -1.498 5.310 363 HD22 LEU 40 HD22 LEU 40 -8.246 -1.715 5.821 364 HD23 LEU 40 HD23 LEU 40 -7.254 -0.460 6.563 365 H ASN 41 HN ASN 41 -6.310 2.402 7.328 366 HA ASN 41 HA ASN 41 -6.387 5.266 7.704 367 HB2 ASN 41 HB2 ASN 41 -5.687 3.308 9.376 368 HB3 ASN 41 HB1 ASN 41 -4.098 3.637 8.692 369 HD21 ASN 41 HD21 ASN 41 -3.051 4.722 10.209 370 HD22 ASN 41 HD22 ASN 41 -3.622 6.146 11.003 371 H GLU 42 HN GLU 42 -4.948 6.757 6.935 372 HA GLU 42 HA GLU 42 -3.768 6.416 4.465 373 HB2 GLU 42 HB2 GLU 42 -3.523 8.413 6.643 374 HB3 GLU 42 HB1 GLU 42 -2.246 8.412 5.435 375 HG2 GLU 42 HG2 GLU 42 -3.585 9.221 3.819 376 HG3 GLU 42 HG1 GLU 42 -4.996 8.333 4.390 377 H ALA 43 HN ALA 43 -2.315 6.064 7.668 378 HA ALA 43 HA ALA 43 0.337 5.649 6.805 379 HB1 ALA 43 HB1 ALA 43 0.796 4.927 9.021 380 HB2 ALA 43 HB2 ALA 43 -0.895 4.517 9.307 381 HB3 ALA 43 HB3 ALA 43 -0.413 6.205 9.140 382 H GLN 44 HN GLN 44 -2.413 3.506 7.154 383 HA GLN 44 HA GLN 44 -0.962 1.072 6.962 384 HB2 GLN 44 HB2 GLN 44 -3.857 1.780 6.511 385 HB3 GLN 44 HB1 GLN 44 -3.252 0.144 6.295 386 HG2 GLN 44 HG2 GLN 44 -2.352 0.384 8.688 387 HG3 GLN 44 HG1 GLN 44 -3.450 1.758 8.804 388 HE21 GLN 44 HE21 GLN 44 -3.527 -0.697 10.299 389 HE22 GLN 44 HE22 GLN 44 -5.046 -1.446 9.957 390 H ILE 45 HN ILE 45 -2.677 3.073 4.585 391 HA ILE 45 HA ILE 45 -2.200 1.368 2.376 392 HB ILE 45 HB ILE 45 -2.602 4.362 2.303 393 HG12 ILE 45 HG12 ILE 45 -4.905 2.626 1.748 394 HG13 ILE 45 HG11 ILE 45 -4.338 2.541 3.413 395 HG21 ILE 45 HG21 ILE 45 -2.038 3.862 0.151 396 HG22 ILE 45 HG22 ILE 45 -3.767 3.521 0.082 397 HG23 ILE 45 HG23 ILE 45 -2.614 2.199 0.268 398 HD11 ILE 45 HD11 ILE 45 -4.506 5.269 2.477 399 HD12 ILE 45 HD12 ILE 45 -5.222 4.511 3.898 400 HD13 ILE 45 HD13 ILE 45 -6.047 4.423 2.342 401 H LYS 46 HN LYS 46 -0.460 4.130 3.732 402 HA LYS 46 HA LYS 46 1.485 4.425 1.747 403 HB2 LYS 46 HB2 LYS 46 0.937 5.830 3.914 404 HB3 LYS 46 HB1 LYS 46 2.199 4.833 4.620 405 HG2 LYS 46 HG2 LYS 46 2.826 6.107 2.033 406 HG3 LYS 46 HG1 LYS 46 2.673 7.175 3.428 407 HD2 LYS 46 HD2 LYS 46 4.231 4.785 4.008 408 HD3 LYS 46 HD1 LYS 46 4.924 5.748 2.703 409 HE2 LYS 46 HE2 LYS 46 4.011 7.332 4.985 410 HE3 LYS 46 HE1 LYS 46 5.297 6.192 5.380 411 HZ1 LYS 46 HZ1 LYS 46 5.346 8.472 3.522 412 HZ2 LYS 46 HZ2 LYS 46 6.393 7.169 3.266 413 HZ3 LYS 46 HZ3 LYS 46 6.465 8.038 4.714 414 H ILE 47 HN ILE 47 1.490 2.429 4.687 415 HA ILE 47 HA ILE 47 4.094 1.387 4.307 416 HB ILE 47 HB ILE 47 1.783 0.196 5.849 417 HG12 ILE 47 HG12 ILE 47 4.125 1.664 7.027 418 HG13 ILE 47 HG11 ILE 47 2.727 2.552 6.432 419 HG21 ILE 47 HG21 ILE 47 3.607 -0.976 7.104 420 HG22 ILE 47 HG22 ILE 47 4.725 -0.451 5.846 421 HG23 ILE 47 HG23 ILE 47 3.384 -1.523 5.442 422 HD11 ILE 47 HD11 ILE 47 1.441 1.939 8.166 423 HD12 ILE 47 HD12 ILE 47 2.995 1.672 8.955 424 HD13 ILE 47 HD13 ILE 47 2.124 0.315 8.238 425 H TRP 48 HN TRP 48 0.881 0.239 3.366 426 HA TRP 48 HA TRP 48 1.642 -2.287 2.423 427 HD1 TRP 48 HD1 TRP 48 -1.226 -4.146 2.147 428 HE1 TRP 48 HE1 TRP 48 -1.702 -5.369 -0.066 429 HE3 TRP 48 HE3 TRP 48 0.084 -0.441 -1.130 430 HZ2 TRP 48 HZ2 TRP 48 -1.542 -4.836 -2.833 431 HZ3 TRP 48 HZ3 TRP 48 -0.105 -0.882 -3.542 432 HH2 TRP 48 HH2 TRP 48 -0.903 -3.034 -4.375 433 HB2 TRP 48 HB2 TRP 48 -0.702 -1.674 2.780 434 HB3 TRP 48 HB1 TRP 48 -0.609 -0.501 1.471 435 H PHE 49 HN PHE 49 1.426 0.835 0.749 436 HA PHE 49 HA PHE 49 2.123 -0.137 -1.803 437 HD1 PHE 49 HD2 PHE 49 -0.529 1.704 -1.203 438 HD2 PHE 49 HD1 PHE 49 2.559 2.462 -4.031 439 HE1 PHE 49 HE2 PHE 49 -2.212 1.872 -2.989 440 HE2 PHE 49 HE1 PHE 49 0.881 2.631 -5.823 441 HZ PHE 49 HZ PHE 49 -1.508 2.336 -5.304 442 HB2 PHE 49 HB2 PHE 49 1.761 2.464 -0.531 443 HB3 PHE 49 HB1 PHE 49 3.046 2.479 -1.735 444 H GLN 50 HN GLN 50 4.081 1.342 0.767 445 HA GLN 50 HA GLN 50 6.540 1.205 -0.593 446 HB2 GLN 50 HB2 GLN 50 5.783 2.393 1.669 447 HB3 GLN 50 HB1 GLN 50 6.497 0.947 2.372 448 HG2 GLN 50 HG2 GLN 50 8.616 1.425 1.428 449 HG3 GLN 50 HG1 GLN 50 7.948 2.704 0.414 450 HE21 GLN 50 HE21 GLN 50 8.697 1.772 3.711 451 HE22 GLN 50 HE22 GLN 50 8.800 3.376 4.343 452 H ASN 51 HN ASN 51 4.939 -1.061 1.616 453 HA ASN 51 HA ASN 51 7.085 -2.902 1.750 454 HB2 ASN 51 HB2 ASN 51 4.450 -2.701 2.820 455 HB3 ASN 51 HB1 ASN 51 4.606 -4.283 2.067 456 HD21 ASN 51 HD21 ASN 51 6.717 -2.140 3.956 457 HD22 ASN 51 HD22 ASN 51 7.208 -3.347 5.090 458 H LYS 52 HN LYS 52 4.338 -2.561 -0.426 459 HA LYS 52 HA LYS 52 4.649 -5.039 -1.748 460 HB2 LYS 52 HB2 LYS 52 2.970 -2.728 -1.975 461 HB3 LYS 52 HB1 LYS 52 3.574 -3.152 -3.571 462 HG2 LYS 52 HG2 LYS 52 2.836 -5.583 -2.519 463 HG3 LYS 52 HG1 LYS 52 1.599 -4.482 -1.908 464 HD2 LYS 52 HD2 LYS 52 0.610 -4.826 -3.896 465 HD3 LYS 52 HD1 LYS 52 1.813 -3.687 -4.508 466 HE2 LYS 52 HE2 LYS 52 1.920 -5.549 -5.946 467 HE3 LYS 52 HE1 LYS 52 3.314 -5.697 -4.878 468 HZ1 LYS 52 HZ1 LYS 52 2.146 -7.321 -3.577 469 HZ2 LYS 52 HZ2 LYS 52 2.115 -7.802 -5.198 470 HZ3 LYS 52 HZ3 LYS 52 0.737 -7.121 -4.492 471 H ARG 53 HN ARG 53 6.049 -1.852 -2.253 472 HA ARG 53 HA ARG 53 7.232 -2.392 -4.768 473 HE ARG 53 HE ARG 53 9.731 2.109 -6.462 474 HB2 ARG 53 HB2 ARG 53 6.858 -0.121 -3.606 475 HB3 ARG 53 HB1 ARG 53 8.356 -0.462 -2.749 476 HG2 ARG 53 HG2 ARG 53 9.628 -0.395 -4.716 477 HG3 ARG 53 HG1 ARG 53 8.199 -0.519 -5.743 478 HD2 ARG 53 HD2 ARG 53 7.660 1.687 -5.496 479 HD3 ARG 53 HD1 ARG 53 8.389 1.801 -3.896 480 HH11 ARG 53 HH11 ARG 53 10.020 1.864 -2.987 481 HH12 ARG 53 HH12 ARG 53 11.606 2.555 -2.950 482 HH21 ARG 53 HH21 ARG 53 11.816 3.011 -6.407 483 HH22 ARG 53 HH22 ARG 53 12.626 3.204 -4.888 484 H ALA 54 HN ALA 54 8.359 -2.732 -1.441 485 HA ALA 54 HA ALA 54 11.025 -3.448 -2.073 486 HB1 ALA 54 HB1 ALA 54 9.897 -4.566 0.401 487 HB2 ALA 54 HB2 ALA 54 9.726 -2.820 0.220 488 HB3 ALA 54 HB3 ALA 54 11.325 -3.562 0.155 489 H LYS 55 HN LYS 55 8.034 -5.203 -2.009 490 HA LYS 55 HA LYS 55 9.204 -7.812 -1.871 491 HB2 LYS 55 HB2 LYS 55 6.449 -6.807 -2.565 492 HB3 LYS 55 HB1 LYS 55 6.868 -8.513 -2.647 493 HG2 LYS 55 HG2 LYS 55 7.698 -8.084 -0.186 494 HG3 LYS 55 HG1 LYS 55 6.551 -6.747 -0.280 495 HD2 LYS 55 HD2 LYS 55 5.674 -9.447 -1.181 496 HD3 LYS 55 HD1 LYS 55 5.803 -9.134 0.551 497 HE2 LYS 55 HE2 LYS 55 4.477 -6.933 -0.691 498 HE3 LYS 55 HE1 LYS 55 3.705 -8.429 -1.211 499 HZ1 LYS 55 HZ1 LYS 55 2.585 -8.029 0.715 500 HZ2 LYS 55 HZ2 LYS 55 3.895 -7.273 1.472 501 HZ3 LYS 55 HZ3 LYS 55 3.857 -8.958 1.335 502 H ILE 56 HN ILE 56 8.675 -5.514 -4.377 503 HA ILE 56 HA ILE 56 8.484 -7.276 -6.585 504 HB ILE 56 HB ILE 56 9.637 -4.485 -6.613 505 HG12 ILE 56 HG12 ILE 56 6.749 -5.311 -6.983 506 HG13 ILE 56 HG11 ILE 56 7.398 -4.598 -5.510 507 HG21 ILE 56 HG21 ILE 56 8.150 -5.014 -8.928 508 HG22 ILE 56 HG22 ILE 56 9.128 -6.454 -8.643 509 HG23 ILE 56 HG23 ILE 56 9.902 -4.875 -8.782 510 HD11 ILE 56 HD11 ILE 56 6.378 -2.839 -6.661 511 HD12 ILE 56 HD12 ILE 56 7.075 -3.331 -8.205 512 HD13 ILE 56 HD13 ILE 56 8.105 -2.637 -6.952 513 H LYS 57 HN LYS 57 11.253 -5.322 -5.462 514 HA LYS 57 HA LYS 57 13.078 -6.930 -7.034 515 HB2 LYS 57 HB2 LYS 57 13.686 -4.680 -5.109 516 HB3 LYS 57 HB1 LYS 57 14.791 -5.372 -6.288 517 HG2 LYS 57 HG2 LYS 57 13.387 -4.555 -8.103 518 HG3 LYS 57 HG1 LYS 57 12.252 -3.884 -6.930 519 HD2 LYS 57 HD2 LYS 57 13.549 -2.046 -7.521 520 HD3 LYS 57 HD1 LYS 57 14.301 -2.600 -6.024 521 HE2 LYS 57 HE2 LYS 57 15.651 -4.052 -7.896 522 HE3 LYS 57 HE1 LYS 57 15.354 -2.544 -8.760 523 HZ1 LYS 57 HZ1 LYS 57 16.335 -2.319 -6.025 524 HZ2 LYS 57 HZ2 LYS 57 16.701 -1.384 -7.387 525 HZ3 LYS 57 HZ3 LYS 57 17.433 -2.894 -7.177 526 H LYS 58 HN LYS 58 12.045 -8.712 -5.455 527 HA LYS 58 HA LYS 58 13.627 -8.949 -3.013 528 HB2 LYS 58 HB2 LYS 58 11.197 -9.426 -2.948 529 HB3 LYS 58 HB1 LYS 58 11.442 -10.743 -4.086 530 HG2 LYS 58 HG2 LYS 58 13.230 -11.334 -2.093 531 HG3 LYS 58 HG1 LYS 58 11.867 -10.648 -1.207 532 HD2 LYS 58 HD2 LYS 58 11.231 -12.609 -3.332 533 HD3 LYS 58 HD1 LYS 58 12.015 -13.235 -1.880 534 HE2 LYS 58 HE2 LYS 58 9.530 -11.527 -1.876 535 HE3 LYS 58 HE1 LYS 58 9.526 -13.288 -1.797 536 HZ1 LYS 58 HZ1 LYS 58 11.262 -12.452 0.175 537 HZ2 LYS 58 HZ2 LYS 58 9.706 -13.078 0.389 538 HZ3 LYS 58 HZ3 LYS 58 9.936 -11.406 0.285 539 H SER 59 HN SER 59 12.914 -10.862 -5.930 540 HA SER 59 HA SER 59 15.134 -12.644 -5.366 541 HG SER 59 HG SER 59 15.301 -14.263 -7.229 542 HB2 SER 59 HB2 SER 59 13.188 -13.721 -6.237 543 HB3 SER 59 HB1 SER 59 13.062 -12.565 -7.563 Start of MODEL 17 1 HA MET -1 HA MET -1 3.294 -19.467 18.686 2 H1 MET -1 HT1 MET -1 2.303 -18.530 21.291 3 H2 MET -1 HT2 MET -1 3.831 -19.274 21.047 4 H3 MET -1 HT3 MET -1 2.388 -20.141 20.713 5 HB2 MET -1 HB2 MET -1 1.023 -17.633 19.484 6 HB3 MET -1 HB1 MET -1 1.434 -18.117 17.845 7 HG2 MET -1 HG2 MET -1 1.091 -20.530 18.833 8 HG3 MET -1 HG1 MET -1 0.108 -19.660 20.008 9 HE1 MET -1 HE1 MET -1 1.053 -19.872 16.435 10 HE2 MET -1 HE2 MET -1 -0.376 -19.413 15.508 11 HE3 MET -1 HE3 MET -1 -0.194 -21.070 16.083 12 H ASP 0 HN ASP 0 5.249 -18.481 18.490 13 HA ASP 0 HA ASP 0 5.261 -15.617 18.205 14 HB2 ASP 0 HB2 ASP 0 5.746 -16.293 20.712 15 HB3 ASP 0 HB1 ASP 0 7.353 -16.641 20.080 16 H GLU 1 HN GLU 1 6.144 -15.507 16.246 17 HA GLU 1 HA GLU 1 8.764 -16.745 15.834 18 HB2 GLU 1 HB2 GLU 1 6.375 -17.058 14.018 19 HB3 GLU 1 HB1 GLU 1 8.024 -17.360 13.488 20 HG2 GLU 1 HG2 GLU 1 8.202 -19.288 14.666 21 HG3 GLU 1 HG1 GLU 1 7.119 -18.738 15.944 22 H LYS 2 HN LYS 2 6.316 -14.757 14.160 23 HA LYS 2 HA LYS 2 8.321 -12.663 13.811 24 HB2 LYS 2 HB2 LYS 2 7.676 -14.421 11.738 25 HB3 LYS 2 HB1 LYS 2 6.759 -12.963 11.385 26 HG2 LYS 2 HG2 LYS 2 8.691 -11.648 11.237 27 HG3 LYS 2 HG1 LYS 2 9.685 -12.870 12.033 28 HD2 LYS 2 HD2 LYS 2 10.298 -13.203 9.850 29 HD3 LYS 2 HD1 LYS 2 8.948 -14.332 9.970 30 HE2 LYS 2 HE2 LYS 2 7.489 -12.418 9.135 31 HE3 LYS 2 HE1 LYS 2 8.994 -11.598 8.722 32 HZ1 LYS 2 HZ1 LYS 2 9.283 -14.088 7.654 33 HZ2 LYS 2 HZ2 LYS 2 8.860 -12.689 6.803 34 HZ3 LYS 2 HZ3 LYS 2 7.654 -13.732 7.366 35 H ARG 3 HN ARG 3 6.965 -10.900 12.278 36 HA ARG 3 HA ARG 3 4.964 -9.943 14.095 37 HE ARG 3 HE ARG 3 4.531 -6.132 10.744 38 HB2 ARG 3 HB2 ARG 3 4.803 -8.031 12.515 39 HB3 ARG 3 HB1 ARG 3 6.446 -8.349 13.053 40 HG2 ARG 3 HG2 ARG 3 7.089 -8.430 10.940 41 HG3 ARG 3 HG1 ARG 3 6.074 -9.854 10.708 42 HD2 ARG 3 HD2 ARG 3 5.458 -8.231 9.066 43 HD3 ARG 3 HD1 ARG 3 4.158 -8.324 10.254 44 HH11 ARG 3 HH11 ARG 3 7.401 -7.411 9.226 45 HH12 ARG 3 HH12 ARG 3 8.205 -5.879 9.170 46 HH21 ARG 3 HH21 ARG 3 5.587 -4.116 10.671 47 HH22 ARG 3 HH22 ARG 3 7.176 -4.008 9.990 48 HA PRO 4 HA PRO 4 1.361 -11.498 12.078 49 HB2 PRO 4 HB2 PRO 4 -0.475 -9.636 12.725 50 HB3 PRO 4 HB1 PRO 4 0.224 -10.723 13.932 51 HG2 PRO 4 HG2 PRO 4 0.921 -7.878 13.314 52 HG3 PRO 4 HG1 PRO 4 0.733 -8.666 14.891 53 HD2 PRO 4 HD2 PRO 4 3.156 -8.203 13.724 54 HD3 PRO 4 HD1 PRO 4 2.852 -9.552 14.837 55 H ARG 5 HN ARG 5 2.199 -8.124 11.459 56 HA ARG 5 HA ARG 5 2.086 -6.834 9.592 57 HE ARG 5 HE ARG 5 3.402 -6.923 4.871 58 HB2 ARG 5 HB2 ARG 5 3.146 -8.880 8.573 59 HB3 ARG 5 HB1 ARG 5 1.538 -9.391 8.082 60 HG2 ARG 5 HG2 ARG 5 1.372 -7.144 6.889 61 HG3 ARG 5 HG1 ARG 5 3.115 -7.025 7.137 62 HD2 ARG 5 HD2 ARG 5 3.050 -9.468 6.116 63 HD3 ARG 5 HD1 ARG 5 1.558 -8.864 5.398 64 HH11 ARG 5 HH11 ARG 5 3.203 -10.351 4.252 65 HH12 ARG 5 HH12 ARG 5 4.143 -10.270 2.799 66 HH21 ARG 5 HH21 ARG 5 4.637 -6.814 2.961 67 HH22 ARG 5 HH22 ARG 5 4.957 -8.262 2.066 68 H THR 6 HN THR 6 0.528 -5.572 8.751 69 HA THR 6 HA THR 6 -2.178 -6.067 9.392 70 HB THR 6 HB THR 6 -1.391 -3.802 9.270 71 HG1 THR 6 HG1 THR 6 -3.097 -4.227 7.048 72 HG21 THR 6 HG21 THR 6 -1.171 -3.542 6.390 73 HG22 THR 6 HG22 THR 6 0.084 -4.569 7.085 74 HG23 THR 6 HG23 THR 6 -0.131 -2.920 7.671 75 H ALA 7 HN ALA 7 -3.340 -7.610 8.440 76 HA ALA 7 HA ALA 7 -2.958 -8.163 5.592 77 HB1 ALA 7 HB1 ALA 7 -2.914 -10.059 7.155 78 HB2 ALA 7 HB2 ALA 7 -4.227 -10.196 5.984 79 HB3 ALA 7 HB3 ALA 7 -4.569 -9.686 7.638 80 H PHE 8 HN PHE 8 -4.252 -7.249 4.155 81 HA PHE 8 HA PHE 8 -6.698 -5.948 4.997 82 HD1 PHE 8 HD2 PHE 8 -3.255 -5.630 3.717 83 HD2 PHE 8 HD1 PHE 8 -6.547 -2.962 3.329 84 HE1 PHE 8 HE2 PHE 8 -1.814 -3.760 4.407 85 HE2 PHE 8 HE1 PHE 8 -5.112 -1.086 4.017 86 HZ PHE 8 HZ PHE 8 -2.742 -1.484 4.557 87 HB2 PHE 8 HB2 PHE 8 -5.357 -6.121 2.290 88 HB3 PHE 8 HB1 PHE 8 -6.786 -5.156 2.641 89 H SER 9 HN SER 9 -8.473 -6.156 3.058 90 HA SER 9 HA SER 9 -9.250 -8.972 3.160 91 HG SER 9 HG SER 9 -11.583 -6.983 1.188 92 HB2 SER 9 HB2 SER 9 -11.469 -8.271 2.894 93 HB3 SER 9 HB1 SER 9 -10.764 -6.971 3.854 94 H SER 10 HN SER 10 -10.329 -9.890 1.207 95 HA SER 10 HA SER 10 -8.637 -9.926 -0.984 96 HG SER 10 HG SER 10 -10.710 -11.887 -2.783 97 HB2 SER 10 HB2 SER 10 -10.120 -11.748 -0.759 98 HB3 SER 10 HB1 SER 10 -11.534 -10.696 -0.677 99 H GLU 11 HN GLU 11 -11.648 -8.103 -0.550 100 HA GLU 11 HA GLU 11 -11.637 -6.909 -3.112 101 HB2 GLU 11 HB2 GLU 11 -13.223 -6.755 -0.687 102 HB3 GLU 11 HB1 GLU 11 -13.025 -5.173 -1.427 103 HG2 GLU 11 HG2 GLU 11 -14.284 -5.698 -3.220 104 HG3 GLU 11 HG1 GLU 11 -13.741 -7.375 -3.249 105 H GLN 12 HN GLN 12 -10.444 -5.787 0.041 106 HA GLN 12 HA GLN 12 -9.728 -3.196 -0.842 107 HB2 GLN 12 HB2 GLN 12 -8.592 -4.815 1.446 108 HB3 GLN 12 HB1 GLN 12 -8.382 -3.084 1.216 109 HG2 GLN 12 HG2 GLN 12 -10.642 -2.640 1.660 110 HG3 GLN 12 HG1 GLN 12 -11.093 -4.335 1.480 111 HE21 GLN 12 HE21 GLN 12 -11.822 -2.843 3.687 112 HE22 GLN 12 HE22 GLN 12 -10.996 -3.446 5.079 113 H LEU 13 HN LEU 13 -7.768 -6.115 -0.320 114 HA LEU 13 HA LEU 13 -5.354 -5.038 -1.251 115 HG LEU 13 HG LEU 13 -4.353 -6.831 0.713 116 HB2 LEU 13 HB2 LEU 13 -6.306 -7.554 -0.340 117 HB3 LEU 13 HB1 LEU 13 -5.499 -7.827 -1.870 118 HD11 LEU 13 HD11 LEU 13 -2.740 -8.565 -0.943 119 HD12 LEU 13 HD12 LEU 13 -4.333 -9.258 -0.633 120 HD13 LEU 13 HD13 LEU 13 -3.300 -8.786 0.715 121 HD21 LEU 13 HD21 LEU 13 -3.236 -5.240 -0.412 122 HD22 LEU 13 HD22 LEU 13 -3.586 -5.961 -1.983 123 HD23 LEU 13 HD23 LEU 13 -2.261 -6.586 -1.003 124 H ALA 14 HN ALA 14 -8.031 -6.603 -2.898 125 HA ALA 14 HA ALA 14 -6.826 -7.000 -5.397 126 HB1 ALA 14 HB1 ALA 14 -9.355 -6.639 -6.140 127 HB2 ALA 14 HB2 ALA 14 -9.614 -6.810 -4.404 128 HB3 ALA 14 HB3 ALA 14 -8.817 -8.098 -5.306 129 H ARG 15 HN ARG 15 -8.713 -4.264 -4.144 130 HA ARG 15 HA ARG 15 -8.533 -2.701 -6.502 131 HE ARG 15 HE ARG 15 -11.029 -0.029 -6.027 132 HB2 ARG 15 HB2 ARG 15 -9.014 -1.898 -3.627 133 HB3 ARG 15 HB1 ARG 15 -9.165 -0.803 -4.994 134 HG2 ARG 15 HG2 ARG 15 -10.776 -3.316 -4.603 135 HG3 ARG 15 HG1 ARG 15 -11.328 -1.680 -4.240 136 HD2 ARG 15 HD2 ARG 15 -10.448 -2.640 -6.960 137 HD3 ARG 15 HD1 ARG 15 -12.125 -2.527 -6.429 138 HH11 ARG 15 HH11 ARG 15 -11.552 -2.161 -8.740 139 HH12 ARG 15 HH12 ARG 15 -11.717 -0.871 -9.883 140 HH21 ARG 15 HH21 ARG 15 -11.248 1.671 -7.529 141 HH22 ARG 15 HH22 ARG 15 -11.543 1.305 -9.196 142 H LEU 16 HN LEU 16 -6.628 -2.771 -3.516 143 HA LEU 16 HA LEU 16 -4.906 -0.641 -4.153 144 HG LEU 16 HG LEU 16 -5.962 -0.657 -1.911 145 HB2 LEU 16 HB2 LEU 16 -4.642 -3.021 -2.335 146 HB3 LEU 16 HB1 LEU 16 -3.347 -1.852 -2.510 147 HD11 LEU 16 HD11 LEU 16 -4.661 -1.942 0.425 148 HD12 LEU 16 HD12 LEU 16 -5.696 -2.939 -0.598 149 HD13 LEU 16 HD13 LEU 16 -6.347 -1.491 0.171 150 HD21 LEU 16 HD21 LEU 16 -4.317 0.889 -1.703 151 HD22 LEU 16 HD22 LEU 16 -3.104 -0.299 -1.228 152 HD23 LEU 16 HD23 LEU 16 -4.291 0.268 -0.053 153 H LYS 17 HN LYS 17 -4.740 -4.102 -4.823 154 HA LYS 17 HA LYS 17 -2.122 -4.160 -5.858 155 HB2 LYS 17 HB2 LYS 17 -4.293 -5.987 -5.570 156 HB3 LYS 17 HB1 LYS 17 -3.732 -6.073 -7.231 157 HG2 LYS 17 HG2 LYS 17 -1.401 -6.345 -6.293 158 HG3 LYS 17 HG1 LYS 17 -2.167 -6.575 -4.719 159 HD2 LYS 17 HD2 LYS 17 -2.775 -8.215 -7.177 160 HD3 LYS 17 HD1 LYS 17 -1.655 -8.701 -5.903 161 HE2 LYS 17 HE2 LYS 17 -3.357 -9.557 -4.763 162 HE3 LYS 17 HE1 LYS 17 -4.062 -7.947 -4.638 163 HZ1 LYS 17 HZ1 LYS 17 -5.166 -10.075 -5.919 164 HZ2 LYS 17 HZ2 LYS 17 -4.525 -9.164 -7.192 165 HZ3 LYS 17 HZ3 LYS 17 -5.625 -8.458 -6.118 166 H ARG 18 HN ARG 18 -5.273 -3.659 -7.388 167 HA ARG 18 HA ARG 18 -4.399 -3.558 -10.048 168 HE ARG 18 HE ARG 18 -9.237 -2.692 -12.165 169 HB2 ARG 18 HB2 ARG 18 -6.823 -3.323 -8.741 170 HB3 ARG 18 HB1 ARG 18 -6.596 -1.725 -9.438 171 HG2 ARG 18 HG2 ARG 18 -5.972 -3.813 -11.339 172 HG3 ARG 18 HG1 ARG 18 -7.612 -3.967 -10.707 173 HD2 ARG 18 HD2 ARG 18 -7.538 -1.319 -11.158 174 HD3 ARG 18 HD1 ARG 18 -6.418 -1.866 -12.403 175 HH11 ARG 18 HH11 ARG 18 -6.335 -2.292 -14.081 176 HH12 ARG 18 HH12 ARG 18 -7.125 -2.679 -15.570 177 HH21 ARG 18 HH21 ARG 18 -10.261 -3.201 -14.125 178 HH22 ARG 18 HH22 ARG 18 -9.348 -3.195 -15.597 179 H GLU 19 HN GLU 19 -4.755 -1.005 -7.617 180 HA GLU 19 HA GLU 19 -3.995 1.134 -9.307 181 HB2 GLU 19 HB2 GLU 19 -4.061 0.769 -6.323 182 HB3 GLU 19 HB1 GLU 19 -3.423 2.241 -7.040 183 HG2 GLU 19 HG2 GLU 19 -6.157 1.208 -7.706 184 HG3 GLU 19 HG1 GLU 19 -5.857 2.244 -6.312 185 H PHE 20 HN PHE 20 -2.186 -1.056 -7.227 186 HA PHE 20 HA PHE 20 0.300 0.254 -7.355 187 HD1 PHE 20 HD2 PHE 20 1.672 -3.507 -8.141 188 HD2 PHE 20 HD1 PHE 20 1.972 -0.647 -5.005 189 HE1 PHE 20 HE2 PHE 20 4.087 -3.950 -7.973 190 HE2 PHE 20 HE1 PHE 20 4.387 -1.081 -4.833 191 HZ PHE 20 HZ PHE 20 5.446 -2.735 -6.318 192 HB2 PHE 20 HB2 PHE 20 -0.171 -1.497 -5.710 193 HB3 PHE 20 HB1 PHE 20 -0.299 -2.691 -6.999 194 H ASN 21 HN ASN 21 -1.241 -2.113 -9.461 195 HA ASN 21 HA ASN 21 0.985 -2.696 -11.079 196 HB2 ASN 21 HB2 ASN 21 -1.767 -3.376 -11.016 197 HB3 ASN 21 HB1 ASN 21 -1.429 -2.763 -12.632 198 HD21 ASN 21 HD21 ASN 21 -1.956 -5.495 -11.436 199 HD22 ASN 21 HD22 ASN 21 -0.692 -6.482 -12.078 200 H GLU 22 HN GLU 22 -1.216 -0.010 -10.997 201 HA GLU 22 HA GLU 22 -0.422 1.011 -13.582 202 HB2 GLU 22 HB2 GLU 22 -1.938 2.504 -11.447 203 HB3 GLU 22 HB1 GLU 22 -1.951 2.786 -13.183 204 HG2 GLU 22 HG2 GLU 22 -2.892 0.331 -13.239 205 HG3 GLU 22 HG1 GLU 22 -3.360 0.718 -11.584 206 H ASN 23 HN ASN 23 0.341 1.562 -10.202 207 HA ASN 23 HA ASN 23 2.747 2.972 -10.950 208 HB2 ASN 23 HB2 ASN 23 2.160 4.899 -9.362 209 HB3 ASN 23 HB1 ASN 23 1.395 4.901 -10.948 210 HD21 ASN 23 HD21 ASN 23 -0.776 4.759 -11.099 211 HD22 ASN 23 HD22 ASN 23 -1.841 4.686 -9.740 212 H ARG 24 HN ARG 24 4.318 2.341 -9.642 213 HA ARG 24 HA ARG 24 3.785 0.721 -7.354 214 HE ARG 24 HE ARG 24 6.962 -2.728 -9.331 215 HB2 ARG 24 HB2 ARG 24 5.984 1.235 -9.064 216 HB3 ARG 24 HB1 ARG 24 6.513 1.601 -7.428 217 HG2 ARG 24 HG2 ARG 24 5.970 -0.600 -6.685 218 HG3 ARG 24 HG1 ARG 24 5.184 -0.980 -8.218 219 HD2 ARG 24 HD2 ARG 24 7.923 -0.078 -8.571 220 HD3 ARG 24 HD1 ARG 24 7.817 -1.499 -7.538 221 HH11 ARG 24 HH11 ARG 24 7.541 0.599 -10.238 222 HH12 ARG 24 HH12 ARG 24 7.453 0.277 -11.936 223 HH21 ARG 24 HH21 ARG 24 6.843 -3.142 -11.563 224 HH22 ARG 24 HH22 ARG 24 7.055 -1.843 -12.688 225 H TYR 25 HN TYR 25 3.877 4.055 -7.754 226 HA TYR 25 HA TYR 25 4.617 4.484 -4.939 227 HD1 TYR 25 HD1 TYR 25 6.701 4.549 -7.880 228 HD2 TYR 25 HD2 TYR 25 6.719 7.018 -4.416 229 HE1 TYR 25 HE1 TYR 25 9.116 4.159 -7.623 230 HE2 TYR 25 HE2 TYR 25 9.134 6.636 -4.149 231 HH TYR 25 HH TYR 25 10.837 5.094 -4.790 232 HB2 TYR 25 HB2 TYR 25 4.862 6.218 -7.379 233 HB3 TYR 25 HB1 TYR 25 4.801 6.944 -5.777 234 H LEU 26 HN LEU 26 3.530 6.776 -4.284 235 HA LEU 26 HA LEU 26 0.707 6.750 -5.049 236 HG LEU 26 HG LEU 26 0.566 4.355 -3.330 237 HB2 LEU 26 HB2 LEU 26 1.828 6.138 -2.378 238 HB3 LEU 26 HB1 LEU 26 0.452 7.219 -2.401 239 HD11 LEU 26 HD11 LEU 26 -1.092 5.816 -1.273 240 HD12 LEU 26 HD12 LEU 26 0.247 4.712 -0.943 241 HD13 LEU 26 HD13 LEU 26 -1.236 4.105 -1.678 242 HD21 LEU 26 HD21 LEU 26 -1.824 6.170 -3.568 243 HD22 LEU 26 HD22 LEU 26 -1.640 4.522 -4.168 244 HD23 LEU 26 HD23 LEU 26 -0.737 5.837 -4.918 245 H THR 27 HN THR 27 -0.338 8.613 -3.517 246 HA THR 27 HA THR 27 1.408 10.925 -3.331 247 HB THR 27 HB THR 27 0.206 12.313 -4.817 248 HG1 THR 27 HG1 THR 27 -1.669 10.557 -5.730 249 HG21 THR 27 HG21 THR 27 1.659 10.897 -6.094 250 HG22 THR 27 HG22 THR 27 0.158 11.140 -6.988 251 HG23 THR 27 HG23 THR 27 0.443 9.621 -6.138 252 H GLU 28 HN GLU 28 0.210 12.798 -2.327 253 HA GLU 28 HA GLU 28 -1.090 11.995 0.002 254 HB2 GLU 28 HB2 GLU 28 -0.649 14.574 -1.391 255 HB3 GLU 28 HB1 GLU 28 -1.967 14.544 -0.227 256 HG2 GLU 28 HG2 GLU 28 0.693 13.469 0.569 257 HG3 GLU 28 HG1 GLU 28 0.450 15.214 0.496 258 H ARG 29 HN ARG 29 -2.462 13.346 -2.979 259 HA ARG 29 HA ARG 29 -5.146 13.300 -2.215 260 HE ARG 29 HE ARG 29 -5.253 16.328 -2.062 261 HB2 ARG 29 HB2 ARG 29 -3.662 13.439 -4.769 262 HB3 ARG 29 HB1 ARG 29 -5.329 12.890 -4.882 263 HG2 ARG 29 HG2 ARG 29 -5.386 15.214 -5.212 264 HG3 ARG 29 HG1 ARG 29 -5.967 14.946 -3.567 265 HD2 ARG 29 HD2 ARG 29 -3.207 15.223 -3.315 266 HD3 ARG 29 HD1 ARG 29 -3.677 16.442 -4.499 267 HH11 ARG 29 HH11 ARG 29 -2.639 17.860 -3.802 268 HH12 ARG 29 HH12 ARG 29 -2.680 19.297 -2.840 269 HH21 ARG 29 HH21 ARG 29 -5.302 18.218 -0.798 270 HH22 ARG 29 HH22 ARG 29 -4.188 19.501 -1.135 271 H ARG 30 HN ARG 30 -3.179 10.810 -3.816 272 HA ARG 30 HA ARG 30 -5.303 8.979 -4.194 273 HE ARG 30 HE ARG 30 -4.410 7.576 -7.843 274 HB2 ARG 30 HB2 ARG 30 -2.835 9.106 -5.172 275 HB3 ARG 30 HB1 ARG 30 -2.516 7.993 -3.850 276 HG2 ARG 30 HG2 ARG 30 -3.851 6.337 -4.748 277 HG3 ARG 30 HG1 ARG 30 -4.781 7.476 -5.726 278 HD2 ARG 30 HD2 ARG 30 -1.930 7.428 -6.363 279 HD3 ARG 30 HD1 ARG 30 -2.738 5.885 -6.631 280 HH11 ARG 30 HH11 ARG 30 -0.935 7.278 -8.016 281 HH12 ARG 30 HH12 ARG 30 -0.842 7.864 -9.642 282 HH21 ARG 30 HH21 ARG 30 -4.287 8.346 -9.983 283 HH22 ARG 30 HH22 ARG 30 -2.743 8.470 -10.758 284 H ARG 31 HN ARG 31 -2.837 9.286 -1.663 285 HA ARG 31 HA ARG 31 -3.464 6.980 -0.232 286 HE ARG 31 HE ARG 31 -0.577 7.472 4.224 287 HB2 ARG 31 HB2 ARG 31 -1.587 8.894 0.020 288 HB3 ARG 31 HB1 ARG 31 -2.664 9.371 1.325 289 HG2 ARG 31 HG2 ARG 31 -2.416 7.270 2.409 290 HG3 ARG 31 HG1 ARG 31 -1.570 6.588 1.018 291 HD2 ARG 31 HD2 ARG 31 0.323 7.162 2.038 292 HD3 ARG 31 HD1 ARG 31 -0.086 8.833 1.662 293 HH11 ARG 31 HH11 ARG 31 -0.369 10.422 2.351 294 HH12 ARG 31 HH12 ARG 31 -0.431 11.447 3.742 295 HH21 ARG 31 HH21 ARG 31 -0.660 8.831 6.042 296 HH22 ARG 31 HH22 ARG 31 -0.597 10.549 5.833 297 H GLN 32 HN GLN 32 -4.627 10.307 0.252 298 HA GLN 32 HA GLN 32 -6.356 9.694 2.391 299 HB2 GLN 32 HB2 GLN 32 -5.490 11.983 1.702 300 HB3 GLN 32 HB1 GLN 32 -6.727 11.974 0.453 301 HG2 GLN 32 HG2 GLN 32 -7.963 11.304 2.916 302 HG3 GLN 32 HG1 GLN 32 -6.954 12.727 3.175 303 HE21 GLN 32 HE21 GLN 32 -9.545 11.393 1.212 304 HE22 GLN 32 HE22 GLN 32 -10.244 12.910 0.770 305 H GLN 33 HN GLN 33 -6.898 9.853 -1.106 306 HA GLN 33 HA GLN 33 -9.704 9.508 -0.966 307 HB2 GLN 33 HB2 GLN 33 -7.680 9.635 -3.041 308 HB3 GLN 33 HB1 GLN 33 -8.894 8.418 -3.404 309 HG2 GLN 33 HG2 GLN 33 -9.940 11.002 -2.476 310 HG3 GLN 33 HG1 GLN 33 -9.119 11.026 -4.036 311 HE21 GLN 33 HE21 GLN 33 -9.926 9.707 -5.721 312 HE22 GLN 33 HE22 GLN 33 -11.571 9.180 -5.726 313 H LEU 34 HN LEU 34 -7.044 7.211 -1.491 314 HA LEU 34 HA LEU 34 -8.618 4.915 -1.800 315 HG LEU 34 HG LEU 34 -7.141 3.963 -3.265 316 HB2 LEU 34 HB2 LEU 34 -5.865 5.532 -1.637 317 HB3 LEU 34 HB1 LEU 34 -6.167 4.282 -0.447 318 HD11 LEU 34 HD11 LEU 34 -5.059 3.928 -4.036 319 HD12 LEU 34 HD12 LEU 34 -4.776 2.507 -3.031 320 HD13 LEU 34 HD13 LEU 34 -4.390 4.114 -2.415 321 HD21 LEU 34 HD21 LEU 34 -7.414 1.759 -2.728 322 HD22 LEU 34 HD22 LEU 34 -7.699 2.492 -1.150 323 HD23 LEU 34 HD23 LEU 34 -6.130 1.779 -1.521 324 H SER 35 HN SER 35 -7.250 6.420 1.096 325 HA SER 35 HA SER 35 -7.969 4.422 2.929 326 HG SER 35 HG SER 35 -7.818 7.860 2.399 327 HB2 SER 35 HB2 SER 35 -7.705 6.172 4.645 328 HB3 SER 35 HB1 SER 35 -6.388 6.219 3.477 329 H SER 36 HN SER 36 -9.665 7.376 1.947 330 HA SER 36 HA SER 36 -11.935 6.930 3.592 331 HG SER 36 HG SER 36 -11.251 9.157 3.891 332 HB2 SER 36 HB2 SER 36 -11.648 8.664 1.131 333 HB3 SER 36 HB1 SER 36 -12.968 8.748 2.297 334 H GLU 37 HN GLU 37 -11.210 6.155 0.224 335 HA GLU 37 HA GLU 37 -13.806 5.416 -0.549 336 HB2 GLU 37 HB2 GLU 37 -11.411 5.667 -1.830 337 HB3 GLU 37 HB1 GLU 37 -11.624 3.923 -1.832 338 HG2 GLU 37 HG2 GLU 37 -13.351 3.998 -3.277 339 HG3 GLU 37 HG1 GLU 37 -13.970 5.517 -2.630 340 H LEU 38 HN LEU 38 -11.086 3.315 0.444 341 HA LEU 38 HA LEU 38 -12.863 1.035 0.561 342 HG LEU 38 HG LEU 38 -10.662 1.226 -1.306 343 HB2 LEU 38 HB2 LEU 38 -9.923 1.393 1.085 344 HB3 LEU 38 HB1 LEU 38 -10.748 -0.123 1.393 345 HD11 LEU 38 HD11 LEU 38 -8.918 -0.912 -0.111 346 HD12 LEU 38 HD12 LEU 38 -8.427 0.625 -0.822 347 HD13 LEU 38 HD13 LEU 38 -9.072 -0.655 -1.849 348 HD21 LEU 38 HD21 LEU 38 -12.504 -0.497 -0.561 349 HD22 LEU 38 HD22 LEU 38 -11.217 -1.665 -0.858 350 HD23 LEU 38 HD23 LEU 38 -11.756 -0.599 -2.155 351 H GLY 39 HN GLY 39 -11.419 3.302 2.777 352 HA2 GLY 39 HA2 GLY 39 -12.317 3.721 4.928 353 HA3 GLY 39 HA1 GLY 39 -12.999 2.102 4.932 354 H LEU 40 HN LEU 40 -9.669 3.109 4.261 355 HA LEU 40 HA LEU 40 -8.823 1.586 6.641 356 HG LEU 40 HG LEU 40 -9.362 -0.027 4.529 357 HB2 LEU 40 HB2 LEU 40 -7.500 1.775 3.935 358 HB3 LEU 40 HB1 LEU 40 -6.727 1.088 5.351 359 HD11 LEU 40 HD11 LEU 40 -8.363 -0.019 2.403 360 HD12 LEU 40 HD12 LEU 40 -8.062 -1.632 3.049 361 HD13 LEU 40 HD13 LEU 40 -6.775 -0.425 3.054 362 HD21 LEU 40 HD21 LEU 40 -6.908 -0.916 5.965 363 HD22 LEU 40 HD22 LEU 40 -7.918 -2.124 5.171 364 HD23 LEU 40 HD23 LEU 40 -8.605 -1.083 6.418 365 H ASN 41 HN ASN 41 -6.476 2.210 7.251 366 HA ASN 41 HA ASN 41 -6.466 5.073 7.645 367 HB2 ASN 41 HB2 ASN 41 -5.415 2.806 9.022 368 HB3 ASN 41 HB1 ASN 41 -4.076 3.887 8.648 369 HD21 ASN 41 HD21 ASN 41 -3.719 4.598 10.695 370 HD22 ASN 41 HD22 ASN 41 -4.842 5.565 11.583 371 H GLU 42 HN GLU 42 -5.172 6.538 6.682 372 HA GLU 42 HA GLU 42 -3.986 6.057 4.228 373 HB2 GLU 42 HB2 GLU 42 -3.122 8.223 6.146 374 HB3 GLU 42 HB1 GLU 42 -3.010 8.246 4.392 375 HG2 GLU 42 HG2 GLU 42 -5.003 9.184 4.260 376 HG3 GLU 42 HG1 GLU 42 -5.723 7.805 5.089 377 H ALA 43 HN ALA 43 -2.569 5.959 7.450 378 HA ALA 43 HA ALA 43 0.128 5.709 6.662 379 HB1 ALA 43 HB1 ALA 43 -0.726 6.270 8.965 380 HB2 ALA 43 HB2 ALA 43 0.584 5.090 8.906 381 HB3 ALA 43 HB3 ALA 43 -1.075 4.553 9.167 382 H GLN 44 HN GLN 44 -2.470 3.383 7.056 383 HA GLN 44 HA GLN 44 -0.839 1.056 6.905 384 HB2 GLN 44 HB2 GLN 44 -3.713 1.673 6.932 385 HB3 GLN 44 HB1 GLN 44 -3.298 0.244 5.994 386 HG2 GLN 44 HG2 GLN 44 -3.849 -0.371 8.258 387 HG3 GLN 44 HG1 GLN 44 -2.145 -0.690 7.941 388 HE21 GLN 44 HE21 GLN 44 -0.733 0.035 9.366 389 HE22 GLN 44 HE22 GLN 44 -1.031 1.241 10.565 390 H ILE 45 HN ILE 45 -2.655 2.952 4.537 391 HA ILE 45 HA ILE 45 -2.142 1.247 2.330 392 HB ILE 45 HB ILE 45 -2.671 4.220 2.243 393 HG12 ILE 45 HG12 ILE 45 -4.821 2.181 1.865 394 HG13 ILE 45 HG11 ILE 45 -4.319 2.570 3.507 395 HG21 ILE 45 HG21 ILE 45 -3.855 3.220 0.054 396 HG22 ILE 45 HG22 ILE 45 -2.531 2.068 0.228 397 HG23 ILE 45 HG23 ILE 45 -2.186 3.791 0.078 398 HD11 ILE 45 HD11 ILE 45 -5.981 4.084 3.271 399 HD12 ILE 45 HD12 ILE 45 -5.773 4.209 1.524 400 HD13 ILE 45 HD13 ILE 45 -4.656 5.041 2.605 401 H LYS 46 HN LYS 46 -0.521 4.115 3.620 402 HA LYS 46 HA LYS 46 1.392 4.451 1.610 403 HB2 LYS 46 HB2 LYS 46 0.868 6.025 3.530 404 HB3 LYS 46 HB1 LYS 46 1.858 4.985 4.543 405 HG2 LYS 46 HG2 LYS 46 3.741 5.893 3.794 406 HG3 LYS 46 HG1 LYS 46 3.238 5.730 2.111 407 HD2 LYS 46 HD2 LYS 46 2.679 7.887 1.979 408 HD3 LYS 46 HD1 LYS 46 1.756 7.812 3.481 409 HE2 LYS 46 HE2 LYS 46 4.515 7.674 4.139 410 HE3 LYS 46 HE1 LYS 46 4.293 9.006 3.005 411 HZ1 LYS 46 HZ1 LYS 46 2.742 8.621 5.509 412 HZ2 LYS 46 HZ2 LYS 46 2.599 9.923 4.440 413 HZ3 LYS 46 HZ3 LYS 46 4.028 9.704 5.317 414 H ILE 47 HN ILE 47 1.516 2.532 4.599 415 HA ILE 47 HA ILE 47 4.165 1.609 4.240 416 HB ILE 47 HB ILE 47 1.902 0.321 5.777 417 HG12 ILE 47 HG12 ILE 47 4.148 1.900 6.982 418 HG13 ILE 47 HG11 ILE 47 2.749 2.737 6.319 419 HG21 ILE 47 HG21 ILE 47 3.539 -1.345 5.474 420 HG22 ILE 47 HG22 ILE 47 3.838 -0.682 7.082 421 HG23 ILE 47 HG23 ILE 47 4.861 -0.206 5.726 422 HD11 ILE 47 HD11 ILE 47 1.295 1.473 7.829 423 HD12 ILE 47 HD12 ILE 47 2.508 2.410 8.702 424 HD13 ILE 47 HD13 ILE 47 2.712 0.669 8.505 425 H TRP 48 HN TRP 48 1.024 0.338 3.249 426 HA TRP 48 HA TRP 48 1.875 -2.175 2.346 427 HD1 TRP 48 HD1 TRP 48 -0.457 -4.174 2.330 428 HE1 TRP 48 HE1 TRP 48 -1.082 -5.632 0.301 429 HE3 TRP 48 HE3 TRP 48 -0.355 -0.583 -1.316 430 HZ2 TRP 48 HZ2 TRP 48 -1.478 -5.306 -2.477 431 HZ3 TRP 48 HZ3 TRP 48 -0.866 -1.244 -3.630 432 HH2 TRP 48 HH2 TRP 48 -1.415 -3.552 -4.194 433 HB2 TRP 48 HB2 TRP 48 -0.506 -1.488 2.662 434 HB3 TRP 48 HB1 TRP 48 -0.375 -0.502 1.210 435 H PHE 49 HN PHE 49 1.500 0.895 0.591 436 HA PHE 49 HA PHE 49 2.359 -0.084 -1.908 437 HD1 PHE 49 HD2 PHE 49 -0.477 1.877 -1.229 438 HD2 PHE 49 HD1 PHE 49 2.505 2.138 -4.254 439 HE1 PHE 49 HE2 PHE 49 -2.231 1.849 -2.954 440 HE2 PHE 49 HE1 PHE 49 0.755 2.112 -5.984 441 HZ PHE 49 HZ PHE 49 -1.615 1.966 -5.336 442 HB2 PHE 49 HB2 PHE 49 1.806 2.536 -0.706 443 HB3 PHE 49 HB1 PHE 49 3.043 2.578 -1.958 444 H GLN 50 HN GLN 50 4.107 1.584 0.694 445 HA GLN 50 HA GLN 50 6.608 1.655 -0.594 446 HB2 GLN 50 HB2 GLN 50 5.689 2.781 1.637 447 HB3 GLN 50 HB1 GLN 50 6.479 1.394 2.373 448 HG2 GLN 50 HG2 GLN 50 8.592 2.026 1.450 449 HG3 GLN 50 HG1 GLN 50 7.846 3.308 0.499 450 HE21 GLN 50 HE21 GLN 50 6.284 4.628 2.163 451 HE22 GLN 50 HE22 GLN 50 7.167 5.277 3.498 452 H ASN 51 HN ASN 51 5.078 -0.750 1.485 453 HA ASN 51 HA ASN 51 7.376 -2.423 1.692 454 HB2 ASN 51 HB2 ASN 51 4.506 -2.624 2.429 455 HB3 ASN 51 HB1 ASN 51 5.383 -4.137 2.229 456 HD21 ASN 51 HD21 ASN 51 5.787 -0.957 3.750 457 HD22 ASN 51 HD22 ASN 51 6.507 -1.555 5.202 458 H LYS 52 HN LYS 52 4.559 -2.346 -0.436 459 HA LYS 52 HA LYS 52 5.081 -4.795 -1.745 460 HB2 LYS 52 HB2 LYS 52 3.074 -2.875 -1.820 461 HB3 LYS 52 HB1 LYS 52 3.775 -2.813 -3.429 462 HG2 LYS 52 HG2 LYS 52 3.002 -5.420 -2.186 463 HG3 LYS 52 HG1 LYS 52 1.813 -4.403 -3.003 464 HD2 LYS 52 HD2 LYS 52 3.613 -4.391 -4.914 465 HD3 LYS 52 HD1 LYS 52 4.152 -5.875 -4.123 466 HE2 LYS 52 HE2 LYS 52 1.981 -6.869 -4.393 467 HE3 LYS 52 HE1 LYS 52 1.318 -5.357 -5.013 468 HZ1 LYS 52 HZ1 LYS 52 3.361 -7.065 -6.327 469 HZ2 LYS 52 HZ2 LYS 52 2.867 -5.554 -6.902 470 HZ3 LYS 52 HZ3 LYS 52 1.762 -6.831 -6.828 471 H ARG 53 HN ARG 53 6.157 -1.494 -2.312 472 HA ARG 53 HA ARG 53 7.327 -2.015 -4.853 473 HE ARG 53 HE ARG 53 9.325 2.699 -3.102 474 HB2 ARG 53 HB2 ARG 53 6.663 0.254 -3.906 475 HB3 ARG 53 HB1 ARG 53 8.138 0.180 -2.953 476 HG2 ARG 53 HG2 ARG 53 9.427 -0.045 -5.061 477 HG3 ARG 53 HG1 ARG 53 7.924 0.191 -5.954 478 HD2 ARG 53 HD2 ARG 53 8.915 2.313 -5.885 479 HD3 ARG 53 HD1 ARG 53 7.675 2.357 -4.634 480 HH11 ARG 53 HH11 ARG 53 10.753 1.243 -5.934 481 HH12 ARG 53 HH12 ARG 53 12.373 1.367 -5.335 482 HH21 ARG 53 HH21 ARG 53 11.454 2.862 -2.312 483 HH22 ARG 53 HH22 ARG 53 12.771 2.285 -3.278 484 H ALA 54 HN ALA 54 8.467 -2.131 -1.536 485 HA ALA 54 HA ALA 54 11.225 -2.436 -2.144 486 HB1 ALA 54 HB1 ALA 54 11.088 -1.812 0.016 487 HB2 ALA 54 HB2 ALA 54 11.017 -3.551 0.304 488 HB3 ALA 54 HB3 ALA 54 9.530 -2.604 0.256 489 H LYS 55 HN LYS 55 8.560 -4.692 -1.724 490 HA LYS 55 HA LYS 55 10.268 -7.011 -1.744 491 HB2 LYS 55 HB2 LYS 55 7.446 -6.446 -1.304 492 HB3 LYS 55 HB1 LYS 55 7.688 -7.888 -2.282 493 HG2 LYS 55 HG2 LYS 55 8.294 -9.076 -0.513 494 HG3 LYS 55 HG1 LYS 55 9.492 -7.870 -0.039 495 HD2 LYS 55 HD2 LYS 55 6.606 -7.321 0.477 496 HD3 LYS 55 HD1 LYS 55 7.463 -8.450 1.529 497 HE2 LYS 55 HE2 LYS 55 8.175 -5.574 0.981 498 HE3 LYS 55 HE1 LYS 55 7.565 -6.246 2.492 499 HZ1 LYS 55 HZ1 LYS 55 9.756 -6.258 2.971 500 HZ2 LYS 55 HZ2 LYS 55 10.244 -6.354 1.355 501 HZ3 LYS 55 HZ3 LYS 55 9.715 -7.744 2.162 502 H ILE 56 HN ILE 56 8.137 -5.388 -4.061 503 HA ILE 56 HA ILE 56 8.317 -7.307 -6.109 504 HB ILE 56 HB ILE 56 6.639 -5.492 -6.072 505 HG12 ILE 56 HG12 ILE 56 7.809 -4.863 -8.648 506 HG13 ILE 56 HG11 ILE 56 7.983 -6.577 -8.283 507 HG21 ILE 56 HG21 ILE 56 8.945 -3.727 -6.879 508 HG22 ILE 56 HG22 ILE 56 8.099 -3.684 -5.334 509 HG23 ILE 56 HG23 ILE 56 7.249 -3.252 -6.816 510 HD11 ILE 56 HD11 ILE 56 5.715 -5.207 -9.242 511 HD12 ILE 56 HD12 ILE 56 5.340 -5.776 -7.615 512 HD13 ILE 56 HD13 ILE 56 5.877 -6.918 -8.848 513 H LYS 57 HN LYS 57 10.637 -5.095 -4.926 514 HA LYS 57 HA LYS 57 12.776 -4.628 -5.534 515 HB2 LYS 57 HB2 LYS 57 12.195 -7.121 -7.039 516 HB3 LYS 57 HB1 LYS 57 13.586 -6.185 -7.571 517 HG2 LYS 57 HG2 LYS 57 14.067 -6.222 -4.939 518 HG3 LYS 57 HG1 LYS 57 13.173 -7.735 -5.096 519 HD2 LYS 57 HD2 LYS 57 14.738 -8.632 -6.595 520 HD3 LYS 57 HD1 LYS 57 15.448 -7.052 -6.933 521 HE2 LYS 57 HE2 LYS 57 15.542 -8.266 -4.190 522 HE3 LYS 57 HE1 LYS 57 16.747 -8.664 -5.414 523 HZ1 LYS 57 HZ1 LYS 57 16.382 -5.855 -5.241 524 HZ2 LYS 57 HZ2 LYS 57 17.792 -6.764 -5.026 525 HZ3 LYS 57 HZ3 LYS 57 16.755 -6.491 -3.718 526 H LYS 58 HN LYS 58 14.149 -4.146 -7.663 527 HA LYS 58 HA LYS 58 12.402 -2.785 -9.596 528 HB2 LYS 58 HB2 LYS 58 13.999 -0.873 -9.607 529 HB3 LYS 58 HB1 LYS 58 13.141 -1.067 -8.085 530 HG2 LYS 58 HG2 LYS 58 15.151 -0.871 -7.144 531 HG3 LYS 58 HG1 LYS 58 15.394 -2.543 -7.650 532 HD2 LYS 58 HD2 LYS 58 16.552 -1.865 -9.615 533 HD3 LYS 58 HD1 LYS 58 16.084 -0.179 -9.383 534 HE2 LYS 58 HE2 LYS 58 18.371 -0.411 -8.722 535 HE3 LYS 58 HE1 LYS 58 17.402 -0.177 -7.268 536 HZ1 LYS 58 HZ1 LYS 58 17.637 -2.936 -7.864 537 HZ2 LYS 58 HZ2 LYS 58 18.111 -2.103 -6.471 538 HZ3 LYS 58 HZ3 LYS 58 19.173 -2.232 -7.780 539 H SER 59 HN SER 59 15.637 -4.041 -8.894 540 HA SER 59 HA SER 59 15.968 -4.543 -11.776 541 HG SER 59 HG SER 59 17.246 -2.948 -12.538 542 HB2 SER 59 HB2 SER 59 17.883 -3.357 -9.808 543 HB3 SER 59 HB1 SER 59 18.521 -4.358 -11.111 Start of MODEL 18 1 HA MET -1 HA MET -1 3.205 -18.008 16.010 2 H1 MET -1 HT1 MET -1 4.132 -19.862 15.444 3 H2 MET -1 HT2 MET -1 3.122 -20.715 16.535 4 H3 MET -1 HT3 MET -1 4.657 -20.146 17.049 5 HB2 MET -1 HB2 MET -1 1.639 -19.995 17.454 6 HB3 MET -1 HB1 MET -1 1.620 -18.436 18.266 7 HG2 MET -1 HG2 MET -1 -0.249 -18.654 16.737 8 HG3 MET -1 HG1 MET -1 0.840 -17.363 16.232 9 HE1 MET -1 HE1 MET -1 -0.235 -21.214 14.119 10 HE2 MET -1 HE2 MET -1 -1.377 -19.915 14.464 11 HE3 MET -1 HE3 MET -1 -0.567 -20.752 15.789 12 H ASP 0 HN ASP 0 5.264 -17.190 16.659 13 HA ASP 0 HA ASP 0 5.411 -16.666 19.550 14 HB2 ASP 0 HB2 ASP 0 7.326 -18.058 17.925 15 HB3 ASP 0 HB1 ASP 0 8.046 -16.562 18.509 16 H GLU 1 HN GLU 1 4.176 -15.029 17.607 17 HA GLU 1 HA GLU 1 5.844 -12.641 17.874 18 HB2 GLU 1 HB2 GLU 1 6.081 -13.674 15.553 19 HB3 GLU 1 HB1 GLU 1 4.396 -13.240 15.298 20 HG2 GLU 1 HG2 GLU 1 4.839 -11.006 15.193 21 HG3 GLU 1 HG1 GLU 1 6.264 -11.127 16.225 22 H LYS 2 HN LYS 2 4.580 -10.627 17.463 23 HA LYS 2 HA LYS 2 1.702 -10.838 17.635 24 HB2 LYS 2 HB2 LYS 2 2.851 -11.042 20.009 25 HB3 LYS 2 HB1 LYS 2 2.963 -9.294 19.859 26 HG2 LYS 2 HG2 LYS 2 0.845 -9.064 20.453 27 HG3 LYS 2 HG1 LYS 2 0.325 -10.132 19.149 28 HD2 LYS 2 HD2 LYS 2 0.062 -11.887 20.531 29 HD3 LYS 2 HD1 LYS 2 1.526 -11.513 21.441 30 HE2 LYS 2 HE2 LYS 2 0.378 -10.458 23.040 31 HE3 LYS 2 HE1 LYS 2 -0.577 -9.553 21.866 32 HZ1 LYS 2 HZ1 LYS 2 -1.626 -11.367 23.466 33 HZ2 LYS 2 HZ2 LYS 2 -1.212 -12.380 22.177 34 HZ3 LYS 2 HZ3 LYS 2 -2.239 -11.062 21.919 35 H ARG 3 HN ARG 3 0.772 -8.524 18.003 36 HA ARG 3 HA ARG 3 0.509 -6.414 17.201 37 HE ARG 3 HE ARG 3 2.178 -2.759 19.895 38 HB2 ARG 3 HB2 ARG 3 3.301 -6.579 18.011 39 HB3 ARG 3 HB1 ARG 3 3.059 -5.414 16.718 40 HG2 ARG 3 HG2 ARG 3 1.071 -5.207 18.838 41 HG3 ARG 3 HG1 ARG 3 2.725 -4.936 19.392 42 HD2 ARG 3 HD2 ARG 3 2.937 -3.371 17.375 43 HD3 ARG 3 HD1 ARG 3 1.178 -3.449 17.292 44 HH11 ARG 3 HH11 ARG 3 1.258 -1.522 16.764 45 HH12 ARG 3 HH12 ARG 3 0.932 0.074 17.352 46 HH21 ARG 3 HH21 ARG 3 1.751 -0.659 20.669 47 HH22 ARG 3 HH22 ARG 3 1.213 0.565 19.568 48 HA PRO 4 HA PRO 4 1.520 -8.144 12.917 49 HB2 PRO 4 HB2 PRO 4 -1.411 -7.954 12.624 50 HB3 PRO 4 HB1 PRO 4 -0.327 -9.290 12.227 51 HG2 PRO 4 HG2 PRO 4 -1.988 -9.414 14.326 52 HG3 PRO 4 HG1 PRO 4 -0.370 -10.139 14.375 53 HD2 PRO 4 HD2 PRO 4 -1.328 -7.559 15.556 54 HD3 PRO 4 HD1 PRO 4 -0.229 -8.773 16.240 55 H ARG 5 HN ARG 5 0.605 -7.170 10.792 56 HA ARG 5 HA ARG 5 -0.464 -4.518 10.931 57 HE ARG 5 HE ARG 5 3.860 -7.153 10.884 58 HB2 ARG 5 HB2 ARG 5 1.476 -3.350 9.999 59 HB3 ARG 5 HB1 ARG 5 1.841 -4.030 11.578 60 HG2 ARG 5 HG2 ARG 5 2.545 -5.986 9.682 61 HG3 ARG 5 HG1 ARG 5 3.160 -4.447 9.079 62 HD2 ARG 5 HD2 ARG 5 4.884 -4.709 10.464 63 HD3 ARG 5 HD1 ARG 5 3.760 -4.417 11.791 64 HH11 ARG 5 HH11 ARG 5 5.207 -4.785 13.068 65 HH12 ARG 5 HH12 ARG 5 5.792 -5.969 14.188 66 HH21 ARG 5 HH21 ARG 5 4.630 -8.710 12.356 67 HH22 ARG 5 HH22 ARG 5 5.467 -8.196 13.783 68 H THR 6 HN THR 6 -1.029 -7.031 9.613 69 HA THR 6 HA THR 6 -1.038 -6.059 6.843 70 HB THR 6 HB THR 6 -0.938 -8.833 6.602 71 HG1 THR 6 HG1 THR 6 1.051 -7.967 8.426 72 HG21 THR 6 HG21 THR 6 1.630 -7.408 6.383 73 HG22 THR 6 HG22 THR 6 0.298 -6.797 5.402 74 HG23 THR 6 HG23 THR 6 0.816 -8.475 5.240 75 H ALA 7 HN ALA 7 -3.063 -5.912 8.863 76 HA ALA 7 HA ALA 7 -5.004 -7.970 8.210 77 HB1 ALA 7 HB1 ALA 7 -4.758 -5.859 10.256 78 HB2 ALA 7 HB2 ALA 7 -5.341 -7.518 10.396 79 HB3 ALA 7 HB3 ALA 7 -6.397 -6.264 9.744 80 H PHE 8 HN PHE 8 -5.345 -7.543 5.995 81 HA PHE 8 HA PHE 8 -6.951 -5.125 5.482 82 HD1 PHE 8 HD2 PHE 8 -3.141 -5.708 5.153 83 HD2 PHE 8 HD1 PHE 8 -5.969 -3.022 3.450 84 HE1 PHE 8 HE2 PHE 8 -1.658 -3.816 5.682 85 HE2 PHE 8 HE1 PHE 8 -4.490 -1.126 3.975 86 HZ PHE 8 HZ PHE 8 -2.332 -1.523 5.094 87 HB2 PHE 8 HB2 PHE 8 -4.936 -6.499 3.706 88 HB3 PHE 8 HB1 PHE 8 -6.142 -5.383 3.074 89 H SER 9 HN SER 9 -8.155 -5.565 3.211 90 HA SER 9 HA SER 9 -9.504 -8.169 3.518 91 HG SER 9 HG SER 9 -11.534 -4.866 2.316 92 HB2 SER 9 HB2 SER 9 -11.574 -7.186 3.079 93 HB3 SER 9 HB1 SER 9 -10.773 -5.946 4.046 94 H SER 10 HN SER 10 -10.215 -9.223 1.602 95 HA SER 10 HA SER 10 -8.421 -9.245 -0.509 96 HG SER 10 HG SER 10 -9.522 -10.660 -2.471 97 HB2 SER 10 HB2 SER 10 -9.789 -11.148 -0.277 98 HB3 SER 10 HB1 SER 10 -11.270 -10.190 -0.285 99 H GLU 11 HN GLU 11 -11.413 -7.434 -0.121 100 HA GLU 11 HA GLU 11 -11.620 -6.433 -2.739 101 HB2 GLU 11 HB2 GLU 11 -12.956 -6.062 -0.255 102 HB3 GLU 11 HB1 GLU 11 -12.536 -4.468 -0.866 103 HG2 GLU 11 HG2 GLU 11 -13.760 -6.382 -2.767 104 HG3 GLU 11 HG1 GLU 11 -14.792 -5.697 -1.512 105 H GLN 12 HN GLN 12 -10.065 -5.098 0.165 106 HA GLN 12 HA GLN 12 -9.066 -2.771 -1.129 107 HB2 GLN 12 HB2 GLN 12 -7.958 -4.126 1.338 108 HB3 GLN 12 HB1 GLN 12 -7.733 -2.447 0.863 109 HG2 GLN 12 HG2 GLN 12 -9.871 -1.848 1.463 110 HG3 GLN 12 HG1 GLN 12 -10.488 -3.491 1.312 111 HE21 GLN 12 HE21 GLN 12 -11.086 -1.981 3.505 112 HE22 GLN 12 HE22 GLN 12 -10.281 -2.618 4.894 113 H LEU 13 HN LEU 13 -7.934 -6.037 -0.724 114 HA LEU 13 HA LEU 13 -5.233 -5.682 -1.421 115 HG LEU 13 HG LEU 13 -5.604 -9.015 0.105 116 HB2 LEU 13 HB2 LEU 13 -7.146 -7.948 -1.308 117 HB3 LEU 13 HB1 LEU 13 -5.710 -8.181 -2.283 118 HD11 LEU 13 HD11 LEU 13 -3.299 -7.771 0.424 119 HD12 LEU 13 HD12 LEU 13 -3.622 -7.266 -1.236 120 HD13 LEU 13 HD13 LEU 13 -3.540 -8.982 -0.835 121 HD21 LEU 13 HD21 LEU 13 -5.918 -6.103 0.584 122 HD22 LEU 13 HD22 LEU 13 -4.789 -6.985 1.606 123 HD23 LEU 13 HD23 LEU 13 -6.480 -7.478 1.533 124 H ALA 14 HN ALA 14 -8.071 -6.558 -3.375 125 HA ALA 14 HA ALA 14 -6.721 -6.738 -5.840 126 HB1 ALA 14 HB1 ALA 14 -8.928 -7.710 -5.486 127 HB2 ALA 14 HB2 ALA 14 -8.944 -6.599 -6.855 128 HB3 ALA 14 HB3 ALA 14 -9.621 -6.098 -5.305 129 H ARG 15 HN ARG 15 -8.575 -4.083 -4.373 130 HA ARG 15 HA ARG 15 -8.229 -2.248 -6.477 131 HE ARG 15 HE ARG 15 -11.793 -2.568 -3.883 132 HB2 ARG 15 HB2 ARG 15 -9.471 -2.265 -3.948 133 HB3 ARG 15 HB1 ARG 15 -8.347 -0.914 -3.921 134 HG2 ARG 15 HG2 ARG 15 -10.113 0.172 -4.804 135 HG3 ARG 15 HG1 ARG 15 -9.467 -0.485 -6.310 136 HD2 ARG 15 HD2 ARG 15 -11.827 -0.904 -6.254 137 HD3 ARG 15 HD1 ARG 15 -10.983 -2.436 -6.041 138 HH11 ARG 15 HH11 ARG 15 -12.532 0.569 -5.233 139 HH12 ARG 15 HH12 ARG 15 -13.635 0.989 -3.967 140 HH21 ARG 15 HH21 ARG 15 -13.240 -2.012 -2.220 141 HH22 ARG 15 HH22 ARG 15 -14.035 -0.474 -2.257 142 H LEU 16 HN LEU 16 -6.338 -2.852 -3.548 143 HA LEU 16 HA LEU 16 -4.498 -0.748 -3.884 144 HG LEU 16 HG LEU 16 -5.556 -1.150 -1.489 145 HB2 LEU 16 HB2 LEU 16 -4.487 -3.325 -2.367 146 HB3 LEU 16 HB1 LEU 16 -3.009 -2.391 -2.488 147 HD11 LEU 16 HD11 LEU 16 -5.323 -1.982 0.590 148 HD12 LEU 16 HD12 LEU 16 -3.563 -2.035 0.489 149 HD13 LEU 16 HD13 LEU 16 -4.527 -3.311 -0.251 150 HD21 LEU 16 HD21 LEU 16 -2.838 -0.406 -0.564 151 HD22 LEU 16 HD22 LEU 16 -4.258 0.602 -0.843 152 HD23 LEU 16 HD23 LEU 16 -3.293 0.041 -2.208 153 H LYS 17 HN LYS 17 -4.354 -4.170 -4.839 154 HA LYS 17 HA LYS 17 -1.795 -4.102 -5.983 155 HB2 LYS 17 HB2 LYS 17 -3.796 -6.012 -5.633 156 HB3 LYS 17 HB1 LYS 17 -3.603 -5.902 -7.377 157 HG2 LYS 17 HG2 LYS 17 -1.208 -6.330 -7.140 158 HG3 LYS 17 HG1 LYS 17 -1.406 -6.444 -5.390 159 HD2 LYS 17 HD2 LYS 17 -3.306 -8.175 -6.593 160 HD3 LYS 17 HD1 LYS 17 -1.745 -8.474 -7.357 161 HE2 LYS 17 HE2 LYS 17 -2.281 -8.471 -4.389 162 HE3 LYS 17 HE1 LYS 17 -2.091 -9.905 -5.397 163 HZ1 LYS 17 HZ1 LYS 17 -0.095 -8.774 -4.054 164 HZ2 LYS 17 HZ2 LYS 17 0.069 -7.971 -5.533 165 HZ3 LYS 17 HZ3 LYS 17 0.129 -9.660 -5.477 166 H ARG 18 HN ARG 18 -4.980 -3.396 -7.324 167 HA ARG 18 HA ARG 18 -4.231 -3.151 -10.018 168 HE ARG 18 HE ARG 18 -7.781 -3.793 -12.727 169 HB2 ARG 18 HB2 ARG 18 -6.583 -2.945 -8.611 170 HB3 ARG 18 HB1 ARG 18 -6.318 -1.287 -9.130 171 HG2 ARG 18 HG2 ARG 18 -7.542 -2.112 -10.879 172 HG3 ARG 18 HG1 ARG 18 -5.899 -2.386 -11.461 173 HD2 ARG 18 HD2 ARG 18 -5.991 -4.682 -10.950 174 HD3 ARG 18 HD1 ARG 18 -7.426 -4.482 -9.944 175 HH11 ARG 18 HH11 ARG 18 -7.984 -6.311 -10.317 176 HH12 ARG 18 HH12 ARG 18 -9.115 -7.258 -11.224 177 HH21 ARG 18 HH21 ARG 18 -9.267 -5.039 -13.920 178 HH22 ARG 18 HH22 ARG 18 -9.842 -6.538 -13.269 179 H GLU 19 HN GLU 19 -4.390 -0.757 -7.407 180 HA GLU 19 HA GLU 19 -3.587 1.454 -8.982 181 HB2 GLU 19 HB2 GLU 19 -3.744 0.880 -6.052 182 HB3 GLU 19 HB1 GLU 19 -2.852 2.297 -6.588 183 HG2 GLU 19 HG2 GLU 19 -5.493 2.020 -7.807 184 HG3 GLU 19 HG1 GLU 19 -5.519 2.218 -6.056 185 H PHE 20 HN PHE 20 -1.833 -0.931 -7.082 186 HA PHE 20 HA PHE 20 0.708 0.290 -7.208 187 HD1 PHE 20 HD2 PHE 20 1.952 -3.384 -8.195 188 HD2 PHE 20 HD1 PHE 20 2.322 -0.858 -4.790 189 HE1 PHE 20 HE2 PHE 20 4.346 -3.935 -8.052 190 HE2 PHE 20 HE1 PHE 20 4.717 -1.403 -4.640 191 HZ PHE 20 HZ PHE 20 5.732 -2.944 -6.272 192 HB2 PHE 20 HB2 PHE 20 0.174 -1.485 -5.602 193 HB3 PHE 20 HB1 PHE 20 -0.010 -2.636 -6.921 194 H ASN 21 HN ASN 21 -0.974 -1.959 -9.335 195 HA ASN 21 HA ASN 21 1.223 -2.539 -11.020 196 HB2 ASN 21 HB2 ASN 21 -1.759 -2.682 -11.492 197 HB3 ASN 21 HB1 ASN 21 -0.562 -3.259 -12.648 198 HD21 ASN 21 HD21 ASN 21 -2.610 -4.765 -11.296 199 HD22 ASN 21 HD22 ASN 21 -1.804 -5.991 -10.382 200 H GLU 22 HN GLU 22 -1.144 0.042 -10.970 201 HA GLU 22 HA GLU 22 -0.358 1.066 -13.557 202 HB2 GLU 22 HB2 GLU 22 -2.118 2.291 -11.424 203 HB3 GLU 22 HB1 GLU 22 -1.934 2.887 -13.068 204 HG2 GLU 22 HG2 GLU 22 -2.916 0.848 -13.942 205 HG3 GLU 22 HG1 GLU 22 -3.051 0.197 -12.309 206 H ASN 23 HN ASN 23 0.244 1.753 -10.177 207 HA ASN 23 HA ASN 23 2.605 3.262 -10.850 208 HB2 ASN 23 HB2 ASN 23 0.342 4.760 -10.653 209 HB3 ASN 23 HB1 ASN 23 0.888 4.775 -8.979 210 HD21 ASN 23 HD21 ASN 23 2.099 6.442 -8.501 211 HD22 ASN 23 HD22 ASN 23 3.184 7.261 -9.566 212 H ARG 24 HN ARG 24 4.094 2.499 -9.512 213 HA ARG 24 HA ARG 24 3.416 1.036 -7.162 214 HE ARG 24 HE ARG 24 7.009 -2.694 -8.839 215 HB2 ARG 24 HB2 ARG 24 6.062 1.929 -8.297 216 HB3 ARG 24 HB1 ARG 24 5.913 0.928 -6.858 217 HG2 ARG 24 HG2 ARG 24 4.790 -0.797 -8.158 218 HG3 ARG 24 HG1 ARG 24 4.901 0.211 -9.602 219 HD2 ARG 24 HD2 ARG 24 7.238 0.005 -9.698 220 HD3 ARG 24 HD1 ARG 24 7.337 -0.587 -8.040 221 HH11 ARG 24 HH11 ARG 24 5.835 -0.429 -11.221 222 HH12 ARG 24 HH12 ARG 24 5.454 -1.655 -12.383 223 HH21 ARG 24 HH21 ARG 24 6.508 -4.307 -10.367 224 HH22 ARG 24 HH22 ARG 24 5.836 -3.857 -11.898 225 H TYR 25 HN TYR 25 3.483 4.303 -7.598 226 HA TYR 25 HA TYR 25 4.460 4.819 -4.874 227 HD1 TYR 25 HD1 TYR 25 6.028 4.329 -7.423 228 HD2 TYR 25 HD2 TYR 25 6.597 8.038 -5.415 229 HE1 TYR 25 HE1 TYR 25 8.464 4.029 -7.571 230 HE2 TYR 25 HE2 TYR 25 9.035 7.748 -5.560 231 HH TYR 25 HH TYR 25 10.482 4.786 -6.503 232 HB2 TYR 25 HB2 TYR 25 4.269 6.572 -7.317 233 HB3 TYR 25 HB1 TYR 25 4.448 7.257 -5.705 234 H LEU 26 HN LEU 26 3.283 6.997 -4.060 235 HA LEU 26 HA LEU 26 0.423 6.868 -4.605 236 HG LEU 26 HG LEU 26 0.385 4.263 -3.008 237 HB2 LEU 26 HB2 LEU 26 1.723 5.945 -2.129 238 HB3 LEU 26 HB1 LEU 26 0.375 7.033 -1.883 239 HD11 LEU 26 HD11 LEU 26 -0.072 4.818 -0.597 240 HD12 LEU 26 HD12 LEU 26 -1.348 3.918 -1.416 241 HD13 LEU 26 HD13 LEU 26 -1.527 5.654 -1.143 242 HD21 LEU 26 HD21 LEU 26 -2.030 4.699 -3.645 243 HD22 LEU 26 HD22 LEU 26 -0.802 5.334 -4.740 244 HD23 LEU 26 HD23 LEU 26 -1.626 6.416 -3.614 245 H THR 27 HN THR 27 -0.454 8.829 -4.639 246 HA THR 27 HA THR 27 1.137 11.086 -3.678 247 HB THR 27 HB THR 27 -0.154 12.467 -5.076 248 HG1 THR 27 HG1 THR 27 -2.059 10.380 -5.279 249 HG21 THR 27 HG21 THR 27 -0.328 11.372 -7.261 250 HG22 THR 27 HG22 THR 27 -0.041 9.813 -6.487 251 HG23 THR 27 HG23 THR 27 1.215 11.052 -6.467 252 H GLU 28 HN GLU 28 -0.088 12.878 -2.576 253 HA GLU 28 HA GLU 28 -1.234 11.989 -0.200 254 HB2 GLU 28 HB2 GLU 28 -0.250 14.299 -0.797 255 HB3 GLU 28 HB1 GLU 28 -1.858 14.681 -1.395 256 HG2 GLU 28 HG2 GLU 28 -2.604 15.085 0.647 257 HG3 GLU 28 HG1 GLU 28 -2.001 13.538 1.240 258 H ARG 29 HN ARG 29 -2.769 13.212 -3.138 259 HA ARG 29 HA ARG 29 -5.428 13.076 -2.255 260 HE ARG 29 HE ARG 29 -4.113 17.269 -4.323 261 HB2 ARG 29 HB2 ARG 29 -4.257 12.938 -5.034 262 HB3 ARG 29 HB1 ARG 29 -5.981 13.051 -4.706 263 HG2 ARG 29 HG2 ARG 29 -5.512 15.250 -5.033 264 HG3 ARG 29 HG1 ARG 29 -5.219 15.149 -3.296 265 HD2 ARG 29 HD2 ARG 29 -2.814 14.772 -3.783 266 HD3 ARG 29 HD1 ARG 29 -3.155 15.026 -5.491 267 HH11 ARG 29 HH11 ARG 29 -1.046 15.612 -4.166 268 HH12 ARG 29 HH12 ARG 29 -0.135 17.057 -3.883 269 HH21 ARG 29 HH21 ARG 29 -2.914 19.174 -3.948 270 HH22 ARG 29 HH22 ARG 29 -1.195 19.079 -3.758 271 H ARG 30 HN ARG 30 -3.357 10.676 -3.844 272 HA ARG 30 HA ARG 30 -5.428 8.770 -4.238 273 HE ARG 30 HE ARG 30 -1.558 6.244 -7.137 274 HB2 ARG 30 HB2 ARG 30 -2.434 8.680 -4.316 275 HB3 ARG 30 HB1 ARG 30 -3.352 7.181 -4.359 276 HG2 ARG 30 HG2 ARG 30 -4.584 8.803 -6.248 277 HG3 ARG 30 HG1 ARG 30 -2.858 9.102 -6.457 278 HD2 ARG 30 HD2 ARG 30 -3.586 6.280 -6.116 279 HD3 ARG 30 HD1 ARG 30 -4.224 7.035 -7.576 280 HH11 ARG 30 HH11 ARG 30 -3.403 8.864 -8.520 281 HH12 ARG 30 HH12 ARG 30 -2.171 9.296 -9.657 282 HH21 ARG 30 HH21 ARG 30 0.063 6.812 -8.633 283 HH22 ARG 30 HH22 ARG 30 -0.205 8.131 -9.722 284 H ARG 31 HN ARG 31 -3.063 9.327 -1.682 285 HA ARG 31 HA ARG 31 -3.563 6.987 -0.203 286 HE ARG 31 HE ARG 31 -0.456 10.258 0.525 287 HB2 ARG 31 HB2 ARG 31 -2.237 9.577 0.260 288 HB3 ARG 31 HB1 ARG 31 -2.866 8.810 1.712 289 HG2 ARG 31 HG2 ARG 31 -1.572 6.827 1.279 290 HG3 ARG 31 HG1 ARG 31 -1.016 7.487 -0.260 291 HD2 ARG 31 HD2 ARG 31 -0.438 8.618 2.477 292 HD3 ARG 31 HD1 ARG 31 0.689 7.719 1.465 293 HH11 ARG 31 HH11 ARG 31 2.335 8.341 1.403 294 HH12 ARG 31 HH12 ARG 31 3.466 9.482 0.762 295 HH21 ARG 31 HH21 ARG 31 1.037 11.749 -0.309 296 HH22 ARG 31 HH22 ARG 31 2.733 11.414 -0.206 297 H GLN 32 HN GLN 32 -4.927 10.252 0.010 298 HA GLN 32 HA GLN 32 -6.671 9.711 2.171 299 HB2 GLN 32 HB2 GLN 32 -5.872 11.981 1.273 300 HB3 GLN 32 HB1 GLN 32 -7.143 11.816 0.071 301 HG2 GLN 32 HG2 GLN 32 -8.314 11.291 2.580 302 HG3 GLN 32 HG1 GLN 32 -7.318 12.733 2.763 303 HE21 GLN 32 HE21 GLN 32 -9.456 11.375 0.273 304 HE22 GLN 32 HE22 GLN 32 -10.352 12.828 0.008 305 H GLN 33 HN GLN 33 -7.052 9.570 -1.336 306 HA GLN 33 HA GLN 33 -9.844 9.107 -1.337 307 HB2 GLN 33 HB2 GLN 33 -7.660 9.066 -3.288 308 HB3 GLN 33 HB1 GLN 33 -8.917 7.886 -3.630 309 HG2 GLN 33 HG2 GLN 33 -10.533 9.880 -3.271 310 HG3 GLN 33 HG1 GLN 33 -9.094 10.863 -3.537 311 HE21 GLN 33 HE21 GLN 33 -7.872 10.396 -5.535 312 HE22 GLN 33 HE22 GLN 33 -8.764 9.981 -6.955 313 H LEU 34 HN LEU 34 -7.065 6.902 -1.605 314 HA LEU 34 HA LEU 34 -8.560 4.522 -1.709 315 HG LEU 34 HG LEU 34 -6.842 4.651 -3.402 316 HB2 LEU 34 HB2 LEU 34 -5.737 5.176 -0.940 317 HB3 LEU 34 HB1 LEU 34 -6.351 3.548 -0.729 318 HD11 LEU 34 HD11 LEU 34 -4.405 5.346 -2.387 319 HD12 LEU 34 HD12 LEU 34 -4.767 5.109 -4.096 320 HD13 LEU 34 HD13 LEU 34 -4.057 3.798 -3.156 321 HD21 LEU 34 HD21 LEU 34 -5.668 2.105 -2.303 322 HD22 LEU 34 HD22 LEU 34 -5.897 2.425 -4.022 323 HD23 LEU 34 HD23 LEU 34 -7.291 2.350 -2.944 324 H SER 35 HN SER 35 -7.392 6.473 0.960 325 HA SER 35 HA SER 35 -7.822 4.657 3.051 326 HG SER 35 HG SER 35 -6.728 5.574 4.761 327 HB2 SER 35 HB2 SER 35 -7.303 7.519 2.777 328 HB3 SER 35 HB1 SER 35 -8.347 7.150 4.150 329 H SER 36 HN SER 36 -9.908 7.219 1.760 330 HA SER 36 HA SER 36 -12.123 6.592 3.427 331 HG SER 36 HG SER 36 -12.491 9.342 3.304 332 HB2 SER 36 HB2 SER 36 -11.453 8.623 1.596 333 HB3 SER 36 HB1 SER 36 -12.936 7.892 0.984 334 H GLU 37 HN GLU 37 -11.387 5.848 0.033 335 HA GLU 37 HA GLU 37 -13.786 4.491 -0.524 336 HB2 GLU 37 HB2 GLU 37 -11.057 4.298 -1.798 337 HB3 GLU 37 HB1 GLU 37 -12.490 3.507 -2.440 338 HG2 GLU 37 HG2 GLU 37 -13.373 5.431 -3.225 339 HG3 GLU 37 HG1 GLU 37 -12.714 6.401 -1.909 340 H LEU 38 HN LEU 38 -10.645 3.292 0.613 341 HA LEU 38 HA LEU 38 -11.585 0.553 0.608 342 HG LEU 38 HG LEU 38 -9.252 1.858 -0.865 343 HB2 LEU 38 HB2 LEU 38 -9.009 1.759 1.616 344 HB3 LEU 38 HB1 LEU 38 -9.351 0.043 1.543 345 HD11 LEU 38 HD11 LEU 38 -7.180 -0.098 -0.816 346 HD12 LEU 38 HD12 LEU 38 -7.124 0.828 0.684 347 HD13 LEU 38 HD13 LEU 38 -7.045 1.659 -0.870 348 HD21 LEU 38 HD21 LEU 38 -8.904 -0.597 -1.836 349 HD22 LEU 38 HD22 LEU 38 -10.500 0.126 -1.636 350 HD23 LEU 38 HD23 LEU 38 -9.884 -1.002 -0.428 351 H GLY 39 HN GLY 39 -11.189 3.153 2.896 352 HA2 GLY 39 HA2 GLY 39 -12.291 3.298 4.963 353 HA3 GLY 39 HA1 GLY 39 -12.596 1.569 4.896 354 H LEU 40 HN LEU 40 -9.429 2.928 4.337 355 HA LEU 40 HA LEU 40 -8.569 1.903 6.964 356 HG LEU 40 HG LEU 40 -9.010 0.084 4.943 357 HB2 LEU 40 HB2 LEU 40 -6.945 1.832 4.423 358 HB3 LEU 40 HB1 LEU 40 -6.491 1.162 5.977 359 HD11 LEU 40 HD11 LEU 40 -8.349 -0.868 3.008 360 HD12 LEU 40 HD12 LEU 40 -6.672 -1.029 3.532 361 HD13 LEU 40 HD13 LEU 40 -7.269 0.525 2.950 362 HD21 LEU 40 HD21 LEU 40 -6.482 -1.347 5.721 363 HD22 LEU 40 HD22 LEU 40 -8.137 -1.953 5.754 364 HD23 LEU 40 HD23 LEU 40 -7.627 -0.719 6.906 365 H ASN 41 HN ASN 41 -6.304 2.793 7.516 366 HA ASN 41 HA ASN 41 -6.505 5.672 7.437 367 HB2 ASN 41 HB2 ASN 41 -5.085 3.665 9.046 368 HB3 ASN 41 HB1 ASN 41 -4.155 5.130 8.746 369 HD21 ASN 41 HD21 ASN 41 -4.264 6.300 10.523 370 HD22 ASN 41 HD22 ASN 41 -5.706 6.696 11.387 371 H GLU 42 HN GLU 42 -5.056 7.101 6.536 372 HA GLU 42 HA GLU 42 -3.894 6.514 4.104 373 HB2 GLU 42 HB2 GLU 42 -3.668 8.726 6.058 374 HB3 GLU 42 HB1 GLU 42 -2.368 8.604 4.880 375 HG2 GLU 42 HG2 GLU 42 -4.276 8.460 3.143 376 HG3 GLU 42 HG1 GLU 42 -5.276 9.122 4.434 377 H ALA 43 HN ALA 43 -2.445 6.438 7.318 378 HA ALA 43 HA ALA 43 0.216 5.977 6.506 379 HB1 ALA 43 HB1 ALA 43 -1.108 5.128 9.080 380 HB2 ALA 43 HB2 ALA 43 -0.427 6.725 8.767 381 HB3 ALA 43 HB3 ALA 43 0.623 5.308 8.795 382 H GLN 44 HN GLN 44 -2.521 3.845 7.024 383 HA GLN 44 HA GLN 44 -1.061 1.412 7.017 384 HB2 GLN 44 HB2 GLN 44 -3.954 2.086 6.521 385 HB3 GLN 44 HB1 GLN 44 -3.354 0.439 6.387 386 HG2 GLN 44 HG2 GLN 44 -2.388 1.026 8.796 387 HG3 GLN 44 HG1 GLN 44 -3.769 2.122 8.779 388 HE21 GLN 44 HE21 GLN 44 -3.826 0.253 10.640 389 HE22 GLN 44 HE22 GLN 44 -4.943 -1.007 10.252 390 H ILE 45 HN ILE 45 -2.828 3.178 4.485 391 HA ILE 45 HA ILE 45 -2.308 1.315 2.424 392 HB ILE 45 HB ILE 45 -2.778 4.286 2.125 393 HG12 ILE 45 HG12 ILE 45 -5.090 2.715 1.540 394 HG13 ILE 45 HG11 ILE 45 -4.501 2.246 3.131 395 HG21 ILE 45 HG21 ILE 45 -3.621 2.261 0.113 396 HG22 ILE 45 HG22 ILE 45 -1.923 2.731 0.177 397 HG23 ILE 45 HG23 ILE 45 -3.165 3.950 -0.106 398 HD11 ILE 45 HD11 ILE 45 -4.453 4.728 3.662 399 HD12 ILE 45 HD12 ILE 45 -6.033 3.962 3.519 400 HD13 ILE 45 HD13 ILE 45 -5.405 4.944 2.195 401 H LYS 46 HN LYS 46 -0.587 4.191 3.553 402 HA LYS 46 HA LYS 46 1.348 4.338 1.541 403 HB2 LYS 46 HB2 LYS 46 0.950 6.086 3.263 404 HB3 LYS 46 HB1 LYS 46 1.693 5.037 4.462 405 HG2 LYS 46 HG2 LYS 46 3.581 5.150 2.457 406 HG3 LYS 46 HG1 LYS 46 2.920 6.785 2.497 407 HD2 LYS 46 HD2 LYS 46 3.909 7.245 4.451 408 HD3 LYS 46 HD1 LYS 46 3.417 5.704 5.156 409 HE2 LYS 46 HE2 LYS 46 5.865 5.951 5.039 410 HE3 LYS 46 HE1 LYS 46 5.276 4.582 4.097 411 HZ1 LYS 46 HZ1 LYS 46 5.747 7.211 2.838 412 HZ2 LYS 46 HZ2 LYS 46 5.662 5.689 2.106 413 HZ3 LYS 46 HZ3 LYS 46 7.009 6.103 3.042 414 H ILE 47 HN ILE 47 1.368 2.581 4.628 415 HA ILE 47 HA ILE 47 3.969 1.522 4.375 416 HB ILE 47 HB ILE 47 1.594 0.443 5.901 417 HG12 ILE 47 HG12 ILE 47 3.965 1.849 7.087 418 HG13 ILE 47 HG11 ILE 47 2.646 2.784 6.391 419 HG21 ILE 47 HG21 ILE 47 4.410 -0.479 5.685 420 HG22 ILE 47 HG22 ILE 47 2.927 -1.409 5.902 421 HG23 ILE 47 HG23 ILE 47 3.634 -0.545 7.267 422 HD11 ILE 47 HD11 ILE 47 1.191 2.214 8.045 423 HD12 ILE 47 HD12 ILE 47 2.706 2.156 8.943 424 HD13 ILE 47 HD13 ILE 47 1.973 0.664 8.353 425 H TRP 48 HN TRP 48 0.806 0.328 3.351 426 HA TRP 48 HA TRP 48 1.588 -2.244 2.556 427 HD1 TRP 48 HD1 TRP 48 -1.186 -4.126 2.202 428 HE1 TRP 48 HE1 TRP 48 -1.599 -5.409 0.010 429 HE3 TRP 48 HE3 TRP 48 0.083 -0.459 -1.140 430 HZ2 TRP 48 HZ2 TRP 48 -1.407 -4.935 -2.765 431 HZ3 TRP 48 HZ3 TRP 48 -0.058 -0.963 -3.544 432 HH2 TRP 48 HH2 TRP 48 -0.789 -3.152 -4.338 433 HB2 TRP 48 HB2 TRP 48 -0.764 -1.610 2.777 434 HB3 TRP 48 HB1 TRP 48 -0.602 -0.478 1.436 435 H PHE 49 HN PHE 49 1.502 0.817 0.785 436 HA PHE 49 HA PHE 49 2.263 -0.220 -1.719 437 HD1 PHE 49 HD2 PHE 49 -0.379 1.869 -1.201 438 HD2 PHE 49 HD1 PHE 49 2.816 2.124 -3.998 439 HE1 PHE 49 HE2 PHE 49 -2.007 2.026 -3.040 440 HE2 PHE 49 HE1 PHE 49 1.196 2.281 -5.837 441 HZ PHE 49 HZ PHE 49 -1.218 2.232 -5.364 442 HB2 PHE 49 HB2 PHE 49 1.913 2.408 -0.503 443 HB3 PHE 49 HB1 PHE 49 3.230 2.378 -1.670 444 H GLN 50 HN GLN 50 4.184 1.282 0.871 445 HA GLN 50 HA GLN 50 6.674 1.102 -0.408 446 HB2 GLN 50 HB2 GLN 50 5.855 2.237 1.875 447 HB3 GLN 50 HB1 GLN 50 6.565 0.775 2.545 448 HG2 GLN 50 HG2 GLN 50 8.276 2.061 0.577 449 HG3 GLN 50 HG1 GLN 50 7.895 3.101 1.949 450 HE21 GLN 50 HE21 GLN 50 8.167 2.054 4.115 451 HE22 GLN 50 HE22 GLN 50 9.543 1.031 4.329 452 H ASN 51 HN ASN 51 4.867 -1.201 1.534 453 HA ASN 51 HA ASN 51 6.970 -3.098 1.797 454 HB2 ASN 51 HB2 ASN 51 3.976 -3.302 2.109 455 HB3 ASN 51 HB1 ASN 51 5.050 -4.674 2.365 456 HD21 ASN 51 HD21 ASN 51 7.114 -3.754 3.707 457 HD22 ASN 51 HD22 ASN 51 6.644 -3.036 5.206 458 H LYS 52 HN LYS 52 4.181 -2.843 -0.393 459 HA LYS 52 HA LYS 52 4.749 -5.208 -1.838 460 HB2 LYS 52 HB2 LYS 52 2.553 -3.918 -1.769 461 HB3 LYS 52 HB1 LYS 52 3.280 -2.808 -2.922 462 HG2 LYS 52 HG2 LYS 52 1.950 -4.364 -4.134 463 HG3 LYS 52 HG1 LYS 52 3.644 -4.741 -4.452 464 HD2 LYS 52 HD2 LYS 52 3.461 -6.462 -2.595 465 HD3 LYS 52 HD1 LYS 52 1.717 -6.198 -2.655 466 HE2 LYS 52 HE2 LYS 52 1.587 -7.657 -4.322 467 HE3 LYS 52 HE1 LYS 52 2.567 -6.578 -5.314 468 HZ1 LYS 52 HZ1 LYS 52 3.863 -8.408 -3.404 469 HZ2 LYS 52 HZ2 LYS 52 4.483 -7.733 -4.824 470 HZ3 LYS 52 HZ3 LYS 52 3.351 -8.985 -4.909 471 H ARG 53 HN ARG 53 5.900 -1.933 -2.063 472 HA ARG 53 HA ARG 53 6.995 -2.124 -4.684 473 HE ARG 53 HE ARG 53 7.407 2.941 -3.642 474 HB2 ARG 53 HB2 ARG 53 6.937 -0.174 -2.513 475 HB3 ARG 53 HB1 ARG 53 8.479 -0.194 -3.357 476 HG2 ARG 53 HG2 ARG 53 6.555 -0.245 -5.372 477 HG3 ARG 53 HG1 ARG 53 5.949 0.905 -4.179 478 HD2 ARG 53 HD2 ARG 53 8.714 0.945 -5.378 479 HD3 ARG 53 HD1 ARG 53 7.373 1.958 -5.903 480 HH11 ARG 53 HH11 ARG 53 10.284 1.313 -4.796 481 HH12 ARG 53 HH12 ARG 53 11.342 2.191 -3.748 482 HH21 ARG 53 HH21 ARG 53 8.809 4.087 -2.271 483 HH22 ARG 53 HH22 ARG 53 10.509 3.762 -2.318 484 H ALA 54 HN ALA 54 8.210 -2.751 -1.446 485 HA ALA 54 HA ALA 54 10.937 -3.030 -2.118 486 HB1 ALA 54 HB1 ALA 54 10.963 -2.970 0.106 487 HB2 ALA 54 HB2 ALA 54 10.522 -4.677 0.074 488 HB3 ALA 54 HB3 ALA 54 9.268 -3.444 0.211 489 H LYS 55 HN LYS 55 8.220 -5.206 -2.352 490 HA LYS 55 HA LYS 55 9.784 -7.585 -2.633 491 HB2 LYS 55 HB2 LYS 55 6.903 -6.877 -2.950 492 HB3 LYS 55 HB1 LYS 55 7.481 -8.368 -3.682 493 HG2 LYS 55 HG2 LYS 55 8.145 -9.246 -1.584 494 HG3 LYS 55 HG1 LYS 55 7.915 -7.689 -0.787 495 HD2 LYS 55 HD2 LYS 55 5.555 -8.796 -2.171 496 HD3 LYS 55 HD1 LYS 55 6.096 -9.676 -0.741 497 HE2 LYS 55 HE2 LYS 55 6.179 -7.294 0.332 498 HE3 LYS 55 HE1 LYS 55 5.075 -6.880 -0.979 499 HZ1 LYS 55 HZ1 LYS 55 4.377 -9.292 0.442 500 HZ2 LYS 55 HZ2 LYS 55 3.405 -7.987 -0.020 501 HZ3 LYS 55 HZ3 LYS 55 4.326 -7.895 1.395 502 H ILE 56 HN ILE 56 8.624 -5.111 -4.782 503 HA ILE 56 HA ILE 56 9.943 -6.497 -7.017 504 HB ILE 56 HB ILE 56 7.403 -4.893 -7.311 505 HG12 ILE 56 HG12 ILE 56 7.104 -7.667 -8.001 506 HG13 ILE 56 HG11 ILE 56 7.697 -7.541 -6.348 507 HG21 ILE 56 HG21 ILE 56 8.976 -6.592 -9.240 508 HG22 ILE 56 HG22 ILE 56 8.769 -4.841 -9.288 509 HG23 ILE 56 HG23 ILE 56 7.388 -5.900 -9.576 510 HD11 ILE 56 HD11 ILE 56 5.401 -5.853 -7.209 511 HD12 ILE 56 HD12 ILE 56 5.805 -6.478 -5.609 512 HD13 ILE 56 HD13 ILE 56 5.145 -7.558 -6.838 513 H LYS 57 HN LYS 57 11.762 -5.143 -6.541 514 HA LYS 57 HA LYS 57 11.386 -2.279 -7.039 515 HB2 LYS 57 HB2 LYS 57 12.736 -3.338 -5.048 516 HB3 LYS 57 HB1 LYS 57 14.012 -3.478 -6.250 517 HG2 LYS 57 HG2 LYS 57 14.257 -1.195 -6.455 518 HG3 LYS 57 HG1 LYS 57 12.629 -0.862 -5.856 519 HD2 LYS 57 HD2 LYS 57 13.306 -0.811 -3.719 520 HD3 LYS 57 HD1 LYS 57 14.326 -2.236 -3.915 521 HE2 LYS 57 HE2 LYS 57 15.620 -0.252 -5.367 522 HE3 LYS 57 HE1 LYS 57 15.039 0.573 -3.922 523 HZ1 LYS 57 HZ1 LYS 57 17.285 -0.999 -4.137 524 HZ2 LYS 57 HZ2 LYS 57 16.184 -1.947 -3.271 525 HZ3 LYS 57 HZ3 LYS 57 16.598 -0.407 -2.709 526 H LYS 58 HN LYS 58 12.367 -1.207 -8.701 527 HA LYS 58 HA LYS 58 13.189 -0.905 -10.800 528 HB2 LYS 58 HB2 LYS 58 15.104 -2.893 -9.622 529 HB3 LYS 58 HB1 LYS 58 15.290 -2.358 -11.287 530 HG2 LYS 58 HG2 LYS 58 15.064 0.025 -10.099 531 HG3 LYS 58 HG1 LYS 58 15.749 -0.900 -8.761 532 HD2 LYS 58 HD2 LYS 58 17.572 -1.643 -10.256 533 HD3 LYS 58 HD1 LYS 58 16.905 -0.625 -11.535 534 HE2 LYS 58 HE2 LYS 58 18.536 0.742 -10.642 535 HE3 LYS 58 HE1 LYS 58 17.100 1.268 -9.766 536 HZ1 LYS 58 HZ1 LYS 58 19.420 0.537 -8.618 537 HZ2 LYS 58 HZ2 LYS 58 18.529 -0.896 -8.504 538 HZ3 LYS 58 HZ3 LYS 58 17.919 0.533 -7.836 539 H SER 59 HN SER 59 11.060 -1.929 -11.417 540 HA SER 59 HA SER 59 11.429 -4.526 -12.739 541 HG SER 59 HG SER 59 8.629 -3.243 -10.535 542 HB2 SER 59 HB2 SER 59 8.786 -4.059 -13.015 543 HB3 SER 59 HB1 SER 59 9.480 -4.837 -11.594 Start of MODEL 19 1 HA MET -1 HA MET -1 4.132 -8.837 26.242 2 H1 MET -1 HT1 MET -1 5.953 -6.971 26.526 3 H2 MET -1 HT2 MET -1 4.761 -6.088 25.666 4 H3 MET -1 HT3 MET -1 5.392 -7.542 25.011 5 HB2 MET -1 HB2 MET -1 4.927 -6.891 28.298 6 HB3 MET -1 HB1 MET -1 3.349 -7.614 28.574 7 HG2 MET -1 HG2 MET -1 4.274 -9.810 28.585 8 HG3 MET -1 HG1 MET -1 5.843 -9.208 28.051 9 HE1 MET -1 HE1 MET -1 4.820 -11.067 30.450 10 HE2 MET -1 HE2 MET -1 5.581 -10.546 31.954 11 HE3 MET -1 HE3 MET -1 6.572 -10.884 30.535 12 H ASP 0 HN ASP 0 3.258 -6.926 24.332 13 HA ASP 0 HA ASP 0 0.497 -6.527 25.263 14 HB2 ASP 0 HB2 ASP 0 2.370 -4.545 24.120 15 HB3 ASP 0 HB1 ASP 0 0.738 -4.519 23.457 16 H GLU 1 HN GLU 1 2.331 -6.150 22.227 17 HA GLU 1 HA GLU 1 0.351 -7.910 20.935 18 HB2 GLU 1 HB2 GLU 1 0.990 -5.248 20.323 19 HB3 GLU 1 HB1 GLU 1 1.764 -6.209 19.070 20 HG2 GLU 1 HG2 GLU 1 -0.330 -7.228 18.483 21 HG3 GLU 1 HG1 GLU 1 -1.139 -6.430 19.832 22 H LYS 2 HN LYS 2 1.215 -9.822 20.499 23 HA LYS 2 HA LYS 2 4.081 -10.006 19.919 24 HB2 LYS 2 HB2 LYS 2 2.365 -11.565 21.482 25 HB3 LYS 2 HB1 LYS 2 2.694 -12.548 20.062 26 HG2 LYS 2 HG2 LYS 2 5.097 -11.312 21.111 27 HG3 LYS 2 HG1 LYS 2 4.278 -12.314 22.311 28 HD2 LYS 2 HD2 LYS 2 4.908 -13.251 19.517 29 HD3 LYS 2 HD1 LYS 2 5.985 -13.502 20.891 30 HE2 LYS 2 HE2 LYS 2 3.382 -14.329 21.662 31 HE3 LYS 2 HE1 LYS 2 3.730 -15.042 20.087 32 HZ1 LYS 2 HZ1 LYS 2 4.474 -16.187 22.319 33 HZ2 LYS 2 HZ2 LYS 2 5.818 -15.177 22.129 34 HZ3 LYS 2 HZ3 LYS 2 5.417 -16.288 20.918 35 H ARG 3 HN ARG 3 2.050 -9.042 17.992 36 HA ARG 3 HA ARG 3 2.990 -10.420 15.708 37 HE ARG 3 HE ARG 3 2.695 -13.703 13.130 38 HB2 ARG 3 HB2 ARG 3 1.003 -11.832 16.863 39 HB3 ARG 3 HB1 ARG 3 0.050 -10.763 15.844 40 HG2 ARG 3 HG2 ARG 3 0.366 -12.545 14.445 41 HG3 ARG 3 HG1 ARG 3 1.721 -11.514 13.986 42 HD2 ARG 3 HD2 ARG 3 3.202 -12.791 15.439 43 HD3 ARG 3 HD1 ARG 3 1.848 -13.799 15.946 44 HH11 ARG 3 HH11 ARG 3 2.068 -15.527 16.050 45 HH12 ARG 3 HH12 ARG 3 2.220 -17.060 15.266 46 HH21 ARG 3 HH21 ARG 3 2.896 -15.723 12.112 47 HH22 ARG 3 HH22 ARG 3 2.691 -17.173 13.036 48 HA PRO 4 HA PRO 4 1.275 -6.099 15.191 49 HB2 PRO 4 HB2 PRO 4 3.561 -5.006 14.218 50 HB3 PRO 4 HB1 PRO 4 3.206 -5.104 15.947 51 HG2 PRO 4 HG2 PRO 4 4.930 -6.881 14.263 52 HG3 PRO 4 HG1 PRO 4 5.241 -6.229 15.882 53 HD2 PRO 4 HD2 PRO 4 4.378 -8.763 15.474 54 HD3 PRO 4 HD1 PRO 4 3.933 -7.824 16.913 55 H ARG 5 HN ARG 5 0.044 -6.094 13.417 56 HA ARG 5 HA ARG 5 1.088 -5.805 10.833 57 HE ARG 5 HE ARG 5 3.209 -8.774 7.862 58 HB2 ARG 5 HB2 ARG 5 1.129 -8.458 11.619 59 HB3 ARG 5 HB1 ARG 5 -0.363 -8.338 10.694 60 HG2 ARG 5 HG2 ARG 5 0.813 -7.556 8.767 61 HG3 ARG 5 HG1 ARG 5 2.317 -7.417 9.682 62 HD2 ARG 5 HD2 ARG 5 2.272 -9.860 10.054 63 HD3 ARG 5 HD1 ARG 5 0.826 -9.959 9.050 64 HH11 ARG 5 HH11 ARG 5 1.107 -11.552 8.149 65 HH12 ARG 5 HH12 ARG 5 1.677 -12.286 6.689 66 HH21 ARG 5 HH21 ARG 5 3.957 -9.746 5.946 67 HH22 ARG 5 HH22 ARG 5 3.294 -11.263 5.440 68 H THR 6 HN THR 6 -0.540 -5.474 9.236 69 HA THR 6 HA THR 6 -3.143 -4.839 10.419 70 HB THR 6 HB THR 6 -3.067 -3.886 7.775 71 HG1 THR 6 HG1 THR 6 -0.649 -3.266 9.112 72 HG21 THR 6 HG21 THR 6 -3.669 -1.987 8.741 73 HG22 THR 6 HG22 THR 6 -2.198 -1.920 9.712 74 HG23 THR 6 HG23 THR 6 -3.585 -2.855 10.274 75 H ALA 7 HN ALA 7 -4.985 -5.834 9.830 76 HA ALA 7 HA ALA 7 -4.757 -8.025 7.895 77 HB1 ALA 7 HB1 ALA 7 -5.908 -7.865 10.439 78 HB2 ALA 7 HB2 ALA 7 -5.991 -9.214 9.307 79 HB3 ALA 7 HB3 ALA 7 -7.259 -7.989 9.313 80 H PHE 8 HN PHE 8 -5.128 -7.158 5.911 81 HA PHE 8 HA PHE 8 -7.320 -5.305 5.489 82 HD1 PHE 8 HD2 PHE 8 -3.570 -6.148 5.178 83 HD2 PHE 8 HD1 PHE 8 -5.949 -3.028 3.529 84 HE1 PHE 8 HE2 PHE 8 -1.854 -4.505 5.819 85 HE2 PHE 8 HE1 PHE 8 -4.236 -1.379 4.167 86 HZ PHE 8 HZ PHE 8 -2.186 -2.118 5.314 87 HB2 PHE 8 HB2 PHE 8 -5.416 -6.560 3.499 88 HB3 PHE 8 HB1 PHE 8 -6.545 -5.253 3.159 89 H SER 9 HN SER 9 -8.441 -5.906 3.161 90 HA SER 9 HA SER 9 -9.596 -8.591 3.554 91 HG SER 9 HG SER 9 -10.394 -5.534 1.961 92 HB2 SER 9 HB2 SER 9 -11.736 -7.787 3.017 93 HB3 SER 9 HB1 SER 9 -11.062 -6.509 4.028 94 H SER 10 HN SER 10 -10.407 -9.646 1.620 95 HA SER 10 HA SER 10 -8.575 -9.775 -0.451 96 HG SER 10 HG SER 10 -10.994 -10.347 -2.499 97 HB2 SER 10 HB2 SER 10 -10.052 -11.614 -0.146 98 HB3 SER 10 HB1 SER 10 -11.477 -10.591 -0.324 99 H GLU 11 HN GLU 11 -11.552 -7.890 -0.221 100 HA GLU 11 HA GLU 11 -11.532 -6.934 -2.885 101 HB2 GLU 11 HB2 GLU 11 -13.206 -6.705 -0.633 102 HB3 GLU 11 HB1 GLU 11 -12.759 -5.061 -1.069 103 HG2 GLU 11 HG2 GLU 11 -14.545 -5.245 -2.418 104 HG3 GLU 11 HG1 GLU 11 -13.374 -6.003 -3.496 105 H GLN 12 HN GLN 12 -10.260 -5.636 0.152 106 HA GLN 12 HA GLN 12 -9.403 -3.157 -0.914 107 HB2 GLN 12 HB2 GLN 12 -8.519 -4.706 1.523 108 HB3 GLN 12 HB1 GLN 12 -7.925 -3.098 1.134 109 HG2 GLN 12 HG2 GLN 12 -9.934 -2.091 1.601 110 HG3 GLN 12 HG1 GLN 12 -10.862 -3.561 1.302 111 HE21 GLN 12 HE21 GLN 12 -11.814 -2.731 3.383 112 HE22 GLN 12 HE22 GLN 12 -11.112 -3.316 4.849 113 H LEU 13 HN LEU 13 -7.790 -6.273 -0.468 114 HA LEU 13 HA LEU 13 -5.219 -5.432 -1.274 115 HG LEU 13 HG LEU 13 -5.582 -8.091 0.939 116 HB2 LEU 13 HB2 LEU 13 -6.608 -8.065 -1.042 117 HB3 LEU 13 HB1 LEU 13 -5.086 -7.995 -1.902 118 HD11 LEU 13 HD11 LEU 13 -3.290 -8.784 1.009 119 HD12 LEU 13 HD12 LEU 13 -2.999 -8.140 -0.607 120 HD13 LEU 13 HD13 LEU 13 -4.067 -9.528 -0.388 121 HD21 LEU 13 HD21 LEU 13 -5.304 -5.655 0.855 122 HD22 LEU 13 HD22 LEU 13 -3.764 -5.864 0.022 123 HD23 LEU 13 HD23 LEU 13 -3.957 -6.440 1.678 124 H ALA 14 HN ALA 14 -7.940 -6.818 -3.064 125 HA ALA 14 HA ALA 14 -6.649 -7.088 -5.542 126 HB1 ALA 14 HB1 ALA 14 -8.961 -7.030 -6.492 127 HB2 ALA 14 HB2 ALA 14 -9.556 -6.653 -4.875 128 HB3 ALA 14 HB3 ALA 14 -8.740 -8.188 -5.179 129 H ARG 15 HN ARG 15 -8.557 -4.424 -4.182 130 HA ARG 15 HA ARG 15 -8.344 -2.732 -6.442 131 HE ARG 15 HE ARG 15 -12.930 -2.848 -5.236 132 HB2 ARG 15 HB2 ARG 15 -9.077 -2.340 -3.566 133 HB3 ARG 15 HB1 ARG 15 -8.792 -0.929 -4.576 134 HG2 ARG 15 HG2 ARG 15 -10.646 -1.302 -5.865 135 HG3 ARG 15 HG1 ARG 15 -10.642 -3.040 -5.561 136 HD2 ARG 15 HD2 ARG 15 -11.130 -2.281 -3.093 137 HD3 ARG 15 HD1 ARG 15 -11.707 -0.815 -3.885 138 HH11 ARG 15 HH11 ARG 15 -12.763 -1.871 -1.889 139 HH12 ARG 15 HH12 ARG 15 -14.335 -2.487 -1.501 140 HH21 ARG 15 HH21 ARG 15 -14.996 -3.660 -4.727 141 HH22 ARG 15 HH22 ARG 15 -15.602 -3.504 -3.112 142 H LEU 16 HN LEU 16 -6.458 -3.041 -3.468 143 HA LEU 16 HA LEU 16 -4.739 -0.859 -3.901 144 HG LEU 16 HG LEU 16 -5.573 -0.978 -1.464 145 HB2 LEU 16 HB2 LEU 16 -4.731 -3.280 -2.192 146 HB3 LEU 16 HB1 LEU 16 -3.181 -2.508 -2.459 147 HD11 LEU 16 HD11 LEU 16 -4.813 -3.003 -0.029 148 HD12 LEU 16 HD12 LEU 16 -5.055 -1.433 0.738 149 HD13 LEU 16 HD13 LEU 16 -3.425 -1.985 0.351 150 HD21 LEU 16 HD21 LEU 16 -3.132 0.018 -0.489 151 HD22 LEU 16 HD22 LEU 16 -4.194 0.747 -1.693 152 HD23 LEU 16 HD23 LEU 16 -2.883 -0.316 -2.202 153 H LYS 17 HN LYS 17 -4.478 -4.279 -4.790 154 HA LYS 17 HA LYS 17 -1.882 -4.157 -5.868 155 HB2 LYS 17 HB2 LYS 17 -3.778 -6.135 -5.467 156 HB3 LYS 17 HB1 LYS 17 -3.646 -6.053 -7.218 157 HG2 LYS 17 HG2 LYS 17 -1.117 -6.195 -6.846 158 HG3 LYS 17 HG1 LYS 17 -1.526 -6.708 -5.208 159 HD2 LYS 17 HD2 LYS 17 -2.979 -8.087 -7.367 160 HD3 LYS 17 HD1 LYS 17 -1.243 -8.395 -7.308 161 HE2 LYS 17 HE2 LYS 17 -1.960 -8.600 -4.675 162 HE3 LYS 17 HE1 LYS 17 -3.374 -9.258 -5.497 163 HZ1 LYS 17 HZ1 LYS 17 -1.397 -10.470 -6.818 164 HZ2 LYS 17 HZ2 LYS 17 -2.167 -11.134 -5.466 165 HZ3 LYS 17 HZ3 LYS 17 -0.690 -10.330 -5.287 166 H ARG 18 HN ARG 18 -5.070 -3.667 -7.316 167 HA ARG 18 HA ARG 18 -4.243 -3.433 -9.987 168 HE ARG 18 HE ARG 18 -9.194 -5.517 -9.781 169 HB2 ARG 18 HB2 ARG 18 -6.645 -2.777 -8.425 170 HB3 ARG 18 HB1 ARG 18 -6.408 -1.758 -9.839 171 HG2 ARG 18 HG2 ARG 18 -6.343 -3.702 -11.274 172 HG3 ARG 18 HG1 ARG 18 -6.467 -4.769 -9.873 173 HD2 ARG 18 HD2 ARG 18 -8.632 -3.315 -9.420 174 HD3 ARG 18 HD1 ARG 18 -8.535 -3.065 -11.162 175 HH11 ARG 18 HH11 ARG 18 -8.170 -4.066 -12.788 176 HH12 ARG 18 HH12 ARG 18 -8.724 -5.389 -13.757 177 HH21 ARG 18 HH21 ARG 18 -9.920 -7.256 -11.057 178 HH22 ARG 18 HH22 ARG 18 -9.717 -7.198 -12.776 179 H GLU 19 HN GLU 19 -4.622 -1.002 -7.438 180 HA GLU 19 HA GLU 19 -3.954 1.232 -9.038 181 HB2 GLU 19 HB2 GLU 19 -5.091 1.225 -6.755 182 HB3 GLU 19 HB1 GLU 19 -3.489 1.011 -6.067 183 HG2 GLU 19 HG2 GLU 19 -3.477 3.242 -5.977 184 HG3 GLU 19 HG1 GLU 19 -3.067 3.136 -7.689 185 H PHE 20 HN PHE 20 -2.049 -0.979 -7.068 186 HA PHE 20 HA PHE 20 0.398 0.418 -7.208 187 HD1 PHE 20 HD1 PHE 20 1.878 -3.309 -7.993 188 HD2 PHE 20 HD2 PHE 20 2.096 -0.440 -4.857 189 HE1 PHE 20 HE1 PHE 20 4.302 -3.695 -7.813 190 HE2 PHE 20 HE2 PHE 20 4.520 -0.819 -4.673 191 HZ PHE 20 HZ PHE 20 5.626 -2.448 -6.152 192 HB2 PHE 20 HB2 PHE 20 -0.024 -1.354 -5.566 193 HB3 PHE 20 HB1 PHE 20 -0.116 -2.544 -6.859 194 H ASN 21 HN ASN 21 -1.127 -1.950 -9.315 195 HA ASN 21 HA ASN 21 1.118 -2.444 -10.963 196 HB2 ASN 21 HB2 ASN 21 -1.394 -3.514 -10.742 197 HB3 ASN 21 HB1 ASN 21 -1.512 -2.639 -12.265 198 HD21 ASN 21 HD21 ASN 21 0.148 -3.088 -13.880 199 HD22 ASN 21 HD22 ASN 21 0.804 -4.682 -13.975 200 H GLU 22 HN GLU 22 -1.284 0.079 -10.898 201 HA GLU 22 HA GLU 22 -0.608 1.077 -13.526 202 HB2 GLU 22 HB2 GLU 22 -2.409 2.062 -11.320 203 HB3 GLU 22 HB1 GLU 22 -2.094 3.022 -12.759 204 HG2 GLU 22 HG2 GLU 22 -3.426 1.764 -14.047 205 HG3 GLU 22 HG1 GLU 22 -2.916 0.258 -13.286 206 H ASN 23 HN ASN 23 0.127 1.805 -10.179 207 HA ASN 23 HA ASN 23 2.472 3.275 -10.934 208 HB2 ASN 23 HB2 ASN 23 0.202 4.802 -10.796 209 HB3 ASN 23 HB1 ASN 23 0.828 4.947 -9.155 210 HD21 ASN 23 HD21 ASN 23 0.679 7.149 -10.704 211 HD22 ASN 23 HD22 ASN 23 2.258 7.664 -11.175 212 H ARG 24 HN ARG 24 3.871 2.309 -9.614 213 HA ARG 24 HA ARG 24 3.134 1.225 -7.081 214 HE ARG 24 HE ARG 24 5.874 0.899 -11.074 215 HB2 ARG 24 HB2 ARG 24 5.915 1.677 -8.164 216 HB3 ARG 24 HB1 ARG 24 5.444 0.558 -6.892 217 HG2 ARG 24 HG2 ARG 24 4.497 -0.934 -8.368 218 HG3 ARG 24 HG1 ARG 24 4.238 0.294 -9.607 219 HD2 ARG 24 HD2 ARG 24 7.005 -0.469 -8.765 220 HD3 ARG 24 HD1 ARG 24 6.122 -1.453 -9.930 221 HH11 ARG 24 HH11 ARG 24 8.698 -0.475 -9.540 222 HH12 ARG 24 HH12 ARG 24 9.812 0.402 -10.532 223 HH21 ARG 24 HH21 ARG 24 7.343 2.046 -12.376 224 HH22 ARG 24 HH22 ARG 24 9.046 1.830 -12.140 225 H TYR 25 HN TYR 25 3.642 4.370 -7.925 226 HA TYR 25 HA TYR 25 4.733 5.064 -5.285 227 HD1 TYR 25 HD2 TYR 25 7.560 5.977 -5.592 228 HD2 TYR 25 HD1 TYR 25 5.705 5.262 -9.354 229 HE1 TYR 25 HE2 TYR 25 9.617 4.895 -6.395 230 HE2 TYR 25 HE1 TYR 25 7.756 4.177 -10.166 231 HH TYR 25 HH TYR 25 10.351 3.347 -8.072 232 HB2 TYR 25 HB2 TYR 25 4.717 6.789 -7.771 233 HB3 TYR 25 HB1 TYR 25 5.508 7.152 -6.241 234 H LEU 26 HN LEU 26 3.351 5.964 -3.904 235 HA LEU 26 HA LEU 26 0.732 6.759 -4.871 236 HG LEU 26 HG LEU 26 0.669 4.298 -3.226 237 HB2 LEU 26 HB2 LEU 26 1.903 6.082 -2.225 238 HB3 LEU 26 HB1 LEU 26 0.510 7.143 -2.246 239 HD11 LEU 26 HD11 LEU 26 -1.118 5.617 -1.181 240 HD12 LEU 26 HD12 LEU 26 0.359 4.732 -0.793 241 HD13 LEU 26 HD13 LEU 26 -1.001 3.893 -1.540 242 HD21 LEU 26 HD21 LEU 26 -0.975 6.393 -4.249 243 HD22 LEU 26 HD22 LEU 26 -1.985 5.273 -3.338 244 HD23 LEU 26 HD23 LEU 26 -0.979 4.677 -4.660 245 H THR 27 HN THR 27 -0.193 8.609 -3.332 246 HA THR 27 HA THR 27 1.623 10.855 -3.069 247 HB THR 27 HB THR 27 0.414 12.317 -4.534 248 HG1 THR 27 HG1 THR 27 -1.395 11.417 -5.749 249 HG21 THR 27 HG21 THR 27 0.802 9.697 -5.963 250 HG22 THR 27 HG22 THR 27 2.013 10.958 -5.739 251 HG23 THR 27 HG23 THR 27 0.592 11.269 -6.736 252 H GLU 28 HN GLU 28 0.300 12.811 -2.209 253 HA GLU 28 HA GLU 28 -0.989 12.055 0.146 254 HB2 GLU 28 HB2 GLU 28 -1.368 14.666 -1.335 255 HB3 GLU 28 HB1 GLU 28 -1.640 14.384 0.379 256 HG2 GLU 28 HG2 GLU 28 0.453 14.935 0.805 257 HG3 GLU 28 HG1 GLU 28 1.017 13.604 -0.203 258 H ARG 29 HN ARG 29 -2.381 13.227 -2.900 259 HA ARG 29 HA ARG 29 -5.074 13.035 -2.175 260 HE ARG 29 HE ARG 29 -5.112 17.099 -5.998 261 HB2 ARG 29 HB2 ARG 29 -3.744 12.828 -4.877 262 HB3 ARG 29 HB1 ARG 29 -5.485 12.932 -4.651 263 HG2 ARG 29 HG2 ARG 29 -4.415 15.053 -3.178 264 HG3 ARG 29 HG1 ARG 29 -3.518 15.024 -4.698 265 HD2 ARG 29 HD2 ARG 29 -5.743 14.898 -5.874 266 HD3 ARG 29 HD1 ARG 29 -6.499 15.222 -4.315 267 HH11 ARG 29 HH11 ARG 29 -6.167 16.393 -2.747 268 HH12 ARG 29 HH12 ARG 29 -6.156 18.052 -2.251 269 HH21 ARG 29 HH21 ARG 29 -5.096 19.281 -5.346 270 HH22 ARG 29 HH22 ARG 29 -5.549 19.691 -3.725 271 H ARG 30 HN ARG 30 -2.961 10.656 -3.783 272 HA ARG 30 HA ARG 30 -4.975 8.704 -4.143 273 HE ARG 30 HE ARG 30 -1.636 6.533 -7.338 274 HB2 ARG 30 HB2 ARG 30 -1.972 8.603 -4.115 275 HB3 ARG 30 HB1 ARG 30 -2.928 7.141 -4.302 276 HG2 ARG 30 HG2 ARG 30 -3.753 9.278 -6.097 277 HG3 ARG 30 HG1 ARG 30 -2.074 8.785 -6.325 278 HD2 ARG 30 HD2 ARG 30 -3.686 6.453 -6.000 279 HD3 ARG 30 HD1 ARG 30 -4.424 7.490 -7.218 280 HH11 ARG 30 HH11 ARG 30 -4.634 7.419 -8.915 281 HH12 ARG 30 HH12 ARG 30 -4.043 7.053 -10.499 282 HH21 ARG 30 HH21 ARG 30 -0.875 6.057 -9.422 283 HH22 ARG 30 HH22 ARG 30 -1.916 6.282 -10.788 284 H ARG 31 HN ARG 31 -2.707 9.347 -1.535 285 HA ARG 31 HA ARG 31 -3.089 6.980 -0.075 286 HE ARG 31 HE ARG 31 -0.508 8.587 4.922 287 HB2 ARG 31 HB2 ARG 31 -1.250 8.552 0.349 288 HB3 ARG 31 HB1 ARG 31 -2.400 9.757 0.910 289 HG2 ARG 31 HG2 ARG 31 -2.808 8.640 2.888 290 HG3 ARG 31 HG1 ARG 31 -2.268 7.089 2.243 291 HD2 ARG 31 HD2 ARG 31 -0.201 7.444 2.979 292 HD3 ARG 31 HD1 ARG 31 -0.122 8.990 2.135 293 HH11 ARG 31 HH11 ARG 31 -1.377 10.691 2.277 294 HH12 ARG 31 HH12 ARG 31 -1.666 12.060 3.296 295 HH21 ARG 31 HH21 ARG 31 -0.885 10.388 6.263 296 HH22 ARG 31 HH22 ARG 31 -1.384 11.890 5.558 297 H GLN 32 HN GLN 32 -4.559 10.189 0.347 298 HA GLN 32 HA GLN 32 -6.403 9.376 2.334 299 HB2 GLN 32 HB2 GLN 32 -5.643 11.729 1.921 300 HB3 GLN 32 HB1 GLN 32 -6.641 11.744 0.473 301 HG2 GLN 32 HG2 GLN 32 -8.277 10.877 2.603 302 HG3 GLN 32 HG1 GLN 32 -7.377 12.283 3.169 303 HE21 GLN 32 HE21 GLN 32 -8.791 11.347 0.050 304 HE22 GLN 32 HE22 GLN 32 -9.717 12.791 -0.158 305 H GLN 33 HN GLN 33 -6.505 9.447 -1.162 306 HA GLN 33 HA GLN 33 -9.304 9.153 -1.459 307 HB2 GLN 33 HB2 GLN 33 -6.922 8.840 -3.203 308 HB3 GLN 33 HB1 GLN 33 -8.390 8.019 -3.715 309 HG2 GLN 33 HG2 GLN 33 -9.342 10.487 -3.095 310 HG3 GLN 33 HG1 GLN 33 -7.729 10.869 -3.696 311 HE21 GLN 33 HE21 GLN 33 -10.138 8.427 -4.599 312 HE22 GLN 33 HE22 GLN 33 -10.212 8.868 -6.267 313 H LEU 34 HN LEU 34 -6.655 6.777 -1.541 314 HA LEU 34 HA LEU 34 -8.281 4.510 -1.886 315 HG LEU 34 HG LEU 34 -6.230 4.747 -3.389 316 HB2 LEU 34 HB2 LEU 34 -5.504 4.949 -0.853 317 HB3 LEU 34 HB1 LEU 34 -6.234 3.358 -0.749 318 HD11 LEU 34 HD11 LEU 34 -4.031 4.231 -3.899 319 HD12 LEU 34 HD12 LEU 34 -3.870 3.117 -2.542 320 HD13 LEU 34 HD13 LEU 34 -3.912 4.857 -2.254 321 HD21 LEU 34 HD21 LEU 34 -7.401 2.698 -3.335 322 HD22 LEU 34 HD22 LEU 34 -6.121 1.903 -2.419 323 HD23 LEU 34 HD23 LEU 34 -5.852 2.351 -4.103 324 H SER 35 HN SER 35 -7.039 6.090 1.031 325 HA SER 35 HA SER 35 -7.954 4.210 2.897 326 HG SER 35 HG SER 35 -5.652 5.378 3.856 327 HB2 SER 35 HB2 SER 35 -6.878 6.911 2.945 328 HB3 SER 35 HB1 SER 35 -8.113 6.682 4.183 329 H SER 36 HN SER 36 -9.503 7.104 1.573 330 HA SER 36 HA SER 36 -11.867 6.879 3.132 331 HG SER 36 HG SER 36 -12.285 8.996 3.302 332 HB2 SER 36 HB2 SER 36 -10.784 8.802 1.477 333 HB3 SER 36 HB1 SER 36 -12.191 8.253 0.568 334 H GLU 37 HN GLU 37 -11.139 6.024 -0.244 335 HA GLU 37 HA GLU 37 -13.694 5.078 -0.903 336 HB2 GLU 37 HB2 GLU 37 -11.897 5.647 -2.529 337 HB3 GLU 37 HB1 GLU 37 -11.063 4.168 -2.070 338 HG2 GLU 37 HG2 GLU 37 -12.334 3.932 -4.153 339 HG3 GLU 37 HG1 GLU 37 -12.885 2.828 -2.893 340 H LEU 38 HN LEU 38 -10.867 3.353 0.377 341 HA LEU 38 HA LEU 38 -12.292 0.832 0.347 342 HG LEU 38 HG LEU 38 -9.548 1.864 -0.897 343 HB2 LEU 38 HB2 LEU 38 -9.599 1.500 1.535 344 HB3 LEU 38 HB1 LEU 38 -10.245 -0.109 1.280 345 HD11 LEU 38 HD11 LEU 38 -8.081 -0.586 -0.983 346 HD12 LEU 38 HD12 LEU 38 -7.899 0.148 0.610 347 HD13 LEU 38 HD13 LEU 38 -7.482 1.067 -0.836 348 HD21 LEU 38 HD21 LEU 38 -11.327 -0.306 -0.948 349 HD22 LEU 38 HD22 LEU 38 -9.857 -0.860 -1.749 350 HD23 LEU 38 HD23 LEU 38 -10.679 0.591 -2.321 351 H GLY 39 HN GLY 39 -10.883 2.944 2.844 352 HA2 GLY 39 HA2 GLY 39 -12.305 3.457 4.786 353 HA3 GLY 39 HA1 GLY 39 -12.811 1.774 4.755 354 H LEU 40 HN LEU 40 -9.542 3.059 4.371 355 HA LEU 40 HA LEU 40 -8.811 1.776 6.920 356 HG LEU 40 HG LEU 40 -9.266 0.272 4.581 357 HB2 LEU 40 HB2 LEU 40 -7.008 1.878 4.514 358 HB3 LEU 40 HB1 LEU 40 -6.796 0.942 5.981 359 HD11 LEU 40 HD11 LEU 40 -8.558 -0.269 2.532 360 HD12 LEU 40 HD12 LEU 40 -7.009 -0.871 3.120 361 HD13 LEU 40 HD13 LEU 40 -7.238 0.856 2.847 362 HD21 LEU 40 HD21 LEU 40 -7.563 -0.902 6.386 363 HD22 LEU 40 HD22 LEU 40 -7.209 -1.770 4.893 364 HD23 LEU 40 HD23 LEU 40 -8.859 -1.717 5.512 365 H ASN 41 HN ASN 41 -6.414 2.518 7.457 366 HA ASN 41 HA ASN 41 -6.577 5.387 7.747 367 HB2 ASN 41 HB2 ASN 41 -4.457 3.460 8.722 368 HB3 ASN 41 HB1 ASN 41 -4.632 5.141 9.214 369 HD21 ASN 41 HD21 ASN 41 -5.911 5.607 10.877 370 HD22 ASN 41 HD22 ASN 41 -6.960 4.488 11.672 371 H GLU 42 HN GLU 42 -5.249 6.905 6.865 372 HA GLU 42 HA GLU 42 -4.158 6.528 4.352 373 HB2 GLU 42 HB2 GLU 42 -3.770 8.610 6.468 374 HB3 GLU 42 HB1 GLU 42 -2.783 8.658 5.015 375 HG2 GLU 42 HG2 GLU 42 -4.696 8.908 3.626 376 HG3 GLU 42 HG1 GLU 42 -5.786 8.586 4.974 377 H ALA 43 HN ALA 43 -2.586 6.368 7.510 378 HA ALA 43 HA ALA 43 0.058 6.058 6.575 379 HB1 ALA 43 HB1 ALA 43 -0.684 6.641 8.925 380 HB2 ALA 43 HB2 ALA 43 0.627 5.468 8.792 381 HB3 ALA 43 HB3 ALA 43 -1.012 4.922 9.147 382 H GLN 44 HN GLN 44 -2.580 3.814 7.082 383 HA GLN 44 HA GLN 44 -1.040 1.432 6.905 384 HB2 GLN 44 HB2 GLN 44 -3.838 2.153 7.145 385 HB3 GLN 44 HB1 GLN 44 -3.625 0.833 6.002 386 HG2 GLN 44 HG2 GLN 44 -4.047 0.059 8.292 387 HG3 GLN 44 HG1 GLN 44 -2.495 -0.490 7.660 388 HE21 GLN 44 HE21 GLN 44 -4.055 1.816 9.794 389 HE22 GLN 44 HE22 GLN 44 -2.679 2.105 10.798 390 H ILE 45 HN ILE 45 -2.741 3.442 4.561 391 HA ILE 45 HA ILE 45 -2.445 1.700 2.348 392 HB ILE 45 HB ILE 45 -2.611 4.713 2.239 393 HG12 ILE 45 HG12 ILE 45 -4.427 3.802 3.628 394 HG13 ILE 45 HG11 ILE 45 -5.040 4.440 2.107 395 HG21 ILE 45 HG21 ILE 45 -3.917 3.058 0.195 396 HG22 ILE 45 HG22 ILE 45 -2.155 2.973 0.213 397 HG23 ILE 45 HG23 ILE 45 -2.961 4.530 0.028 398 HD11 ILE 45 HD11 ILE 45 -5.402 1.869 3.215 399 HD12 ILE 45 HD12 ILE 45 -4.454 1.691 1.738 400 HD13 ILE 45 HD13 ILE 45 -6.017 2.507 1.690 401 H LYS 46 HN LYS 46 -0.528 4.447 3.520 402 HA LYS 46 HA LYS 46 1.396 4.475 1.494 403 HB2 LYS 46 HB2 LYS 46 0.925 5.983 3.703 404 HB3 LYS 46 HB1 LYS 46 2.357 5.100 4.215 405 HG2 LYS 46 HG2 LYS 46 2.286 6.494 1.569 406 HG3 LYS 46 HG1 LYS 46 2.643 7.378 3.054 407 HD2 LYS 46 HD2 LYS 46 4.745 6.661 3.000 408 HD3 LYS 46 HD1 LYS 46 4.194 4.985 3.028 409 HE2 LYS 46 HE2 LYS 46 3.799 5.281 0.510 410 HE3 LYS 46 HE1 LYS 46 4.794 6.729 0.659 411 HZ1 LYS 46 HZ1 LYS 46 5.648 4.101 0.369 412 HZ2 LYS 46 HZ2 LYS 46 6.081 4.572 1.935 413 HZ3 LYS 46 HZ3 LYS 46 6.602 5.477 0.606 414 H ILE 47 HN ILE 47 1.365 2.734 4.593 415 HA ILE 47 HA ILE 47 3.913 1.568 4.332 416 HB ILE 47 HB ILE 47 1.514 0.516 5.841 417 HG12 ILE 47 HG12 ILE 47 3.852 1.957 7.052 418 HG13 ILE 47 HG11 ILE 47 2.527 2.872 6.340 419 HG21 ILE 47 HG21 ILE 47 3.924 -0.235 7.088 420 HG22 ILE 47 HG22 ILE 47 4.097 -0.629 5.377 421 HG23 ILE 47 HG23 ILE 47 2.741 -1.277 6.299 422 HD11 ILE 47 HD11 ILE 47 1.000 2.110 7.921 423 HD12 ILE 47 HD12 ILE 47 2.469 2.403 8.850 424 HD13 ILE 47 HD13 ILE 47 2.026 0.757 8.396 425 H TRP 48 HN TRP 48 0.705 0.473 3.307 426 HA TRP 48 HA TRP 48 1.428 -2.119 2.521 427 HD1 TRP 48 HD1 TRP 48 -1.333 -3.921 2.415 428 HE1 TRP 48 HE1 TRP 48 -1.783 -5.394 0.353 429 HE3 TRP 48 HE3 TRP 48 -0.099 -0.577 -1.263 430 HZ2 TRP 48 HZ2 TRP 48 -1.633 -5.175 -2.453 431 HZ3 TRP 48 HZ3 TRP 48 -0.278 -1.296 -3.608 432 HH2 TRP 48 HH2 TRP 48 -1.029 -3.545 -4.191 433 HB2 TRP 48 HB2 TRP 48 -0.919 -1.347 2.740 434 HB3 TRP 48 HB1 TRP 48 -0.709 -0.358 1.297 435 H PHE 49 HN PHE 49 1.257 0.888 0.632 436 HA PHE 49 HA PHE 49 2.125 -0.247 -1.797 437 HD1 PHE 49 HD2 PHE 49 -0.601 1.509 -1.339 438 HD2 PHE 49 HD1 PHE 49 2.458 2.213 -4.211 439 HE1 PHE 49 HE2 PHE 49 -2.285 1.478 -3.133 440 HE2 PHE 49 HE1 PHE 49 0.780 2.181 -6.007 441 HZ PHE 49 HZ PHE 49 -1.594 1.814 -5.473 442 HB2 PHE 49 HB2 PHE 49 1.664 2.446 -0.733 443 HB3 PHE 49 HB1 PHE 49 2.949 2.377 -1.935 444 H GLN 50 HN GLN 50 3.879 1.409 0.804 445 HA GLN 50 HA GLN 50 6.418 1.388 -0.371 446 HB2 GLN 50 HB2 GLN 50 5.717 2.630 1.713 447 HB3 GLN 50 HB1 GLN 50 5.846 1.107 2.581 448 HG2 GLN 50 HG2 GLN 50 8.216 1.804 1.014 449 HG3 GLN 50 HG1 GLN 50 7.838 2.933 2.315 450 HE21 GLN 50 HE21 GLN 50 6.876 1.382 4.270 451 HE22 GLN 50 HE22 GLN 50 8.060 0.240 4.797 452 H ASN 51 HN ASN 51 4.733 -1.030 1.570 453 HA ASN 51 HA ASN 51 6.921 -2.819 1.798 454 HB2 ASN 51 HB2 ASN 51 4.232 -2.702 2.703 455 HB3 ASN 51 HB1 ASN 51 4.427 -4.234 1.858 456 HD21 ASN 51 HD21 ASN 51 3.993 -3.816 4.659 457 HD22 ASN 51 HD22 ASN 51 5.352 -4.485 5.487 458 H LYS 52 HN LYS 52 4.156 -2.651 -0.419 459 HA LYS 52 HA LYS 52 4.818 -4.969 -1.893 460 HB2 LYS 52 HB2 LYS 52 2.698 -3.207 -1.833 461 HB3 LYS 52 HB1 LYS 52 3.419 -2.889 -3.405 462 HG2 LYS 52 HG2 LYS 52 3.339 -5.667 -3.198 463 HG3 LYS 52 HG1 LYS 52 1.801 -5.109 -2.537 464 HD2 LYS 52 HD2 LYS 52 1.057 -4.406 -4.540 465 HD3 LYS 52 HD1 LYS 52 2.630 -3.756 -5.005 466 HE2 LYS 52 HE2 LYS 52 1.952 -6.692 -4.993 467 HE3 LYS 52 HE1 LYS 52 1.831 -5.658 -6.416 468 HZ1 LYS 52 HZ1 LYS 52 4.115 -5.387 -6.513 469 HZ2 LYS 52 HZ2 LYS 52 3.959 -7.011 -6.066 470 HZ3 LYS 52 HZ3 LYS 52 4.357 -5.849 -4.903 471 H ARG 53 HN ARG 53 5.754 -1.597 -2.181 472 HA ARG 53 HA ARG 53 6.922 -1.778 -4.755 473 HE ARG 53 HE ARG 53 8.811 0.847 -7.078 474 HB2 ARG 53 HB2 ARG 53 6.409 0.254 -2.960 475 HB3 ARG 53 HB1 ARG 53 8.164 0.167 -2.953 476 HG2 ARG 53 HG2 ARG 53 7.099 0.066 -5.642 477 HG3 ARG 53 HG1 ARG 53 6.568 1.509 -4.776 478 HD2 ARG 53 HD2 ARG 53 8.550 2.433 -5.154 479 HD3 ARG 53 HD1 ARG 53 9.303 1.165 -4.190 480 HH11 ARG 53 HH11 ARG 53 10.956 0.691 -4.317 481 HH12 ARG 53 HH12 ARG 53 12.255 -0.011 -5.219 482 HH21 ARG 53 HH21 ARG 53 10.523 -0.071 -8.251 483 HH22 ARG 53 HH22 ARG 53 12.012 -0.441 -7.447 484 H ALA 54 HN ALA 54 8.086 -2.436 -1.522 485 HA ALA 54 HA ALA 54 10.846 -2.593 -2.176 486 HB1 ALA 54 HB1 ALA 54 9.657 -2.363 0.136 487 HB2 ALA 54 HB2 ALA 54 11.192 -3.223 0.008 488 HB3 ALA 54 HB3 ALA 54 9.679 -4.126 0.102 489 H LYS 55 HN LYS 55 8.187 -4.789 -2.512 490 HA LYS 55 HA LYS 55 9.750 -7.181 -2.638 491 HB2 LYS 55 HB2 LYS 55 6.997 -6.745 -3.800 492 HB3 LYS 55 HB1 LYS 55 7.731 -8.275 -3.341 493 HG2 LYS 55 HG2 LYS 55 6.976 -6.061 -1.450 494 HG3 LYS 55 HG1 LYS 55 6.057 -7.540 -1.725 495 HD2 LYS 55 HD2 LYS 55 7.424 -8.767 -0.429 496 HD3 LYS 55 HD1 LYS 55 8.875 -7.987 -1.059 497 HE2 LYS 55 HE2 LYS 55 8.892 -6.400 0.565 498 HE3 LYS 55 HE1 LYS 55 7.134 -6.356 0.690 499 HZ1 LYS 55 HZ1 LYS 55 7.103 -8.124 2.132 500 HZ2 LYS 55 HZ2 LYS 55 8.539 -7.361 2.600 501 HZ3 LYS 55 HZ3 LYS 55 8.593 -8.735 1.615 502 H ILE 56 HN ILE 56 8.527 -4.865 -4.989 503 HA ILE 56 HA ILE 56 9.080 -6.318 -7.325 504 HB ILE 56 HB ILE 56 9.214 -3.317 -7.006 505 HG12 ILE 56 HG12 ILE 56 7.089 -4.216 -6.147 506 HG13 ILE 56 HG11 ILE 56 6.845 -3.308 -7.635 507 HG21 ILE 56 HG21 ILE 56 8.790 -5.095 -9.400 508 HG22 ILE 56 HG22 ILE 56 10.136 -3.995 -9.104 509 HG23 ILE 56 HG23 ILE 56 8.522 -3.351 -9.405 510 HD11 ILE 56 HD11 ILE 56 7.221 -5.879 -8.527 511 HD12 ILE 56 HD12 ILE 56 5.672 -5.059 -8.325 512 HD13 ILE 56 HD13 ILE 56 6.299 -6.091 -7.039 513 H LYS 57 HN LYS 57 11.087 -4.133 -5.402 514 HA LYS 57 HA LYS 57 13.333 -3.798 -5.319 515 HB2 LYS 57 HB2 LYS 57 12.995 -6.544 -5.900 516 HB3 LYS 57 HB1 LYS 57 14.298 -5.973 -6.932 517 HG2 LYS 57 HG2 LYS 57 15.601 -6.377 -5.167 518 HG3 LYS 57 HG1 LYS 57 14.966 -4.854 -4.543 519 HD2 LYS 57 HD2 LYS 57 13.021 -6.576 -3.770 520 HD3 LYS 57 HD1 LYS 57 14.443 -7.619 -3.685 521 HE2 LYS 57 HE2 LYS 57 15.517 -6.197 -2.139 522 HE3 LYS 57 HE1 LYS 57 14.379 -4.885 -2.439 523 HZ1 LYS 57 HZ1 LYS 57 13.117 -7.295 -1.512 524 HZ2 LYS 57 HZ2 LYS 57 12.948 -5.705 -0.959 525 HZ3 LYS 57 HZ3 LYS 57 14.228 -6.662 -0.401 526 H LYS 58 HN LYS 58 14.783 -2.602 -6.451 527 HA LYS 58 HA LYS 58 14.065 -1.548 -8.938 528 HB2 LYS 58 HB2 LYS 58 16.818 -1.572 -7.688 529 HB3 LYS 58 HB1 LYS 58 16.253 -0.472 -8.937 530 HG2 LYS 58 HG2 LYS 58 14.411 0.077 -7.127 531 HG3 LYS 58 HG1 LYS 58 15.663 -0.510 -6.030 532 HD2 LYS 58 HD2 LYS 58 16.369 1.631 -6.103 533 HD3 LYS 58 HD1 LYS 58 17.122 1.122 -7.616 534 HE2 LYS 58 HE2 LYS 58 16.002 3.051 -8.237 535 HE3 LYS 58 HE1 LYS 58 14.858 1.784 -8.682 536 HZ1 LYS 58 HZ1 LYS 58 13.419 3.005 -7.510 537 HZ2 LYS 58 HZ2 LYS 58 14.628 3.853 -6.684 538 HZ3 LYS 58 HZ3 LYS 58 14.151 2.322 -6.144 539 H SER 59 HN SER 59 15.258 -1.651 -10.969 540 HA SER 59 HA SER 59 16.092 -2.777 -12.760 541 HG SER 59 HG SER 59 17.939 -3.943 -13.470 542 HB2 SER 59 HB2 SER 59 18.132 -2.879 -11.329 543 HB3 SER 59 HB1 SER 59 17.577 -4.434 -10.708 Start of MODEL 20 1 HA MET -1 HA MET -1 6.778 -24.552 10.792 2 H1 MET -1 HT1 MET -1 6.437 -22.671 11.995 3 H2 MET -1 HT2 MET -1 5.555 -23.859 12.866 4 H3 MET -1 HT3 MET -1 4.731 -22.749 11.847 5 HB2 MET -1 HB2 MET -1 3.905 -25.120 11.484 6 HB3 MET -1 HB1 MET -1 4.710 -25.983 10.181 7 HG2 MET -1 HG2 MET -1 6.510 -26.244 12.204 8 HG3 MET -1 HG1 MET -1 4.978 -26.264 13.078 9 HE1 MET -1 HE1 MET -1 6.724 -28.263 13.476 10 HE2 MET -1 HE2 MET -1 6.840 -29.688 12.445 11 HE3 MET -1 HE3 MET -1 5.495 -29.524 13.574 12 H ASP 0 HN ASP 0 5.885 -21.780 10.244 13 HA ASP 0 HA ASP 0 5.386 -22.132 7.413 14 HB2 ASP 0 HB2 ASP 0 3.277 -21.386 9.231 15 HB3 ASP 0 HB1 ASP 0 3.601 -20.065 8.113 16 H GLU 1 HN GLU 1 5.169 -19.761 6.425 17 HA GLU 1 HA GLU 1 6.849 -17.847 7.827 18 HB2 GLU 1 HB2 GLU 1 7.629 -19.013 5.149 19 HB3 GLU 1 HB1 GLU 1 8.405 -17.631 5.910 20 HG2 GLU 1 HG2 GLU 1 8.708 -19.339 7.896 21 HG3 GLU 1 HG1 GLU 1 8.565 -20.515 6.590 22 H LYS 2 HN LYS 2 4.099 -17.851 7.023 23 HA LYS 2 HA LYS 2 4.133 -15.698 5.010 24 HB2 LYS 2 HB2 LYS 2 2.200 -17.934 5.485 25 HB3 LYS 2 HB1 LYS 2 1.617 -16.423 4.799 26 HG2 LYS 2 HG2 LYS 2 3.430 -16.679 3.050 27 HG3 LYS 2 HG1 LYS 2 3.638 -18.324 3.654 28 HD2 LYS 2 HD2 LYS 2 1.741 -19.045 2.688 29 HD3 LYS 2 HD1 LYS 2 0.855 -17.578 3.107 30 HE2 LYS 2 HE2 LYS 2 1.071 -17.860 0.679 31 HE3 LYS 2 HE1 LYS 2 1.877 -16.399 1.249 32 HZ1 LYS 2 HZ1 LYS 2 3.964 -17.817 1.289 33 HZ2 LYS 2 HZ2 LYS 2 3.369 -17.379 -0.232 34 HZ3 LYS 2 HZ3 LYS 2 3.101 -18.940 0.362 35 H ARG 3 HN ARG 3 3.932 -13.809 6.007 36 HA ARG 3 HA ARG 3 2.449 -13.603 8.499 37 HE ARG 3 HE ARG 3 6.422 -10.811 5.038 38 HB2 ARG 3 HB2 ARG 3 3.254 -11.174 8.353 39 HB3 ARG 3 HB1 ARG 3 4.466 -12.421 8.607 40 HG2 ARG 3 HG2 ARG 3 4.005 -11.855 5.790 41 HG3 ARG 3 HG1 ARG 3 4.545 -10.444 6.702 42 HD2 ARG 3 HD2 ARG 3 6.320 -12.061 7.670 43 HD3 ARG 3 HD1 ARG 3 5.928 -13.066 6.277 44 HH11 ARG 3 HH11 ARG 3 8.161 -12.191 7.739 45 HH12 ARG 3 HH12 ARG 3 9.666 -11.459 7.300 46 HH21 ARG 3 HH21 ARG 3 8.404 -9.856 4.464 47 HH22 ARG 3 HH22 ARG 3 9.805 -10.136 5.444 48 HA PRO 4 HA PRO 4 -1.242 -12.471 6.168 49 HB2 PRO 4 HB2 PRO 4 -2.200 -11.793 8.893 50 HB3 PRO 4 HB1 PRO 4 -2.925 -12.847 7.676 51 HG2 PRO 4 HG2 PRO 4 -1.742 -13.866 9.838 52 HG3 PRO 4 HG1 PRO 4 -1.597 -14.655 8.256 53 HD2 PRO 4 HD2 PRO 4 0.383 -12.951 9.715 54 HD3 PRO 4 HD1 PRO 4 0.652 -14.419 8.752 55 H ARG 5 HN ARG 5 -2.937 -10.485 7.126 56 HA ARG 5 HA ARG 5 -1.217 -8.107 6.914 57 HE ARG 5 HE ARG 5 -0.378 -5.981 3.295 58 HB2 ARG 5 HB2 ARG 5 -3.382 -8.909 5.335 59 HB3 ARG 5 HB1 ARG 5 -4.015 -7.612 6.339 60 HG2 ARG 5 HG2 ARG 5 -3.206 -6.657 4.314 61 HG3 ARG 5 HG1 ARG 5 -2.101 -6.199 5.611 62 HD2 ARG 5 HD2 ARG 5 -0.912 -8.456 4.779 63 HD3 ARG 5 HD1 ARG 5 -1.676 -7.958 3.273 64 HH11 ARG 5 HH11 ARG 5 0.452 -8.177 5.888 65 HH12 ARG 5 HH12 ARG 5 1.977 -7.423 6.198 66 HH21 ARG 5 HH21 ARG 5 1.626 -4.997 3.712 67 HH22 ARG 5 HH22 ARG 5 2.644 -5.621 4.967 68 H THR 6 HN THR 6 -2.463 -6.077 7.792 69 HA THR 6 HA THR 6 -2.941 -6.627 10.591 70 HB THR 6 HB THR 6 -2.738 -4.286 10.940 71 HG1 THR 6 HG1 THR 6 -3.121 -4.016 8.146 72 HG21 THR 6 HG21 THR 6 -0.763 -5.653 9.499 73 HG22 THR 6 HG22 THR 6 -0.575 -4.224 10.516 74 HG23 THR 6 HG23 THR 6 -0.878 -4.043 8.788 75 H ALA 7 HN ALA 7 -4.745 -5.124 7.911 76 HA ALA 7 HA ALA 7 -7.234 -6.089 8.917 77 HB1 ALA 7 HB1 ALA 7 -6.543 -3.199 9.317 78 HB2 ALA 7 HB2 ALA 7 -7.161 -4.357 10.495 79 HB3 ALA 7 HB3 ALA 7 -8.210 -3.761 9.210 80 H PHE 8 HN PHE 8 -6.053 -6.438 6.508 81 HA PHE 8 HA PHE 8 -7.552 -4.687 4.676 82 HD1 PHE 8 HD2 PHE 8 -3.892 -5.202 5.944 83 HD2 PHE 8 HD1 PHE 8 -5.662 -3.161 2.656 84 HE1 PHE 8 HE2 PHE 8 -2.506 -3.229 6.428 85 HE2 PHE 8 HE1 PHE 8 -4.277 -1.184 3.133 86 HZ PHE 8 HZ PHE 8 -2.697 -1.217 5.022 87 HB2 PHE 8 HB2 PHE 8 -5.115 -6.400 4.160 88 HB3 PHE 8 HB1 PHE 8 -5.978 -5.494 2.923 89 H SER 9 HN SER 9 -8.925 -5.556 3.169 90 HA SER 9 HA SER 9 -9.611 -8.383 3.566 91 HG SER 9 HG SER 9 -11.767 -6.856 1.074 92 HB2 SER 9 HB2 SER 9 -11.801 -7.878 2.954 93 HB3 SER 9 HB1 SER 9 -11.308 -6.405 3.787 94 H SER 10 HN SER 10 -10.263 -9.634 1.657 95 HA SER 10 HA SER 10 -8.303 -9.744 -0.295 96 HG SER 10 HG SER 10 -10.643 -12.254 0.754 97 HB2 SER 10 HB2 SER 10 -11.158 -10.713 -0.574 98 HB3 SER 10 HB1 SER 10 -9.765 -11.286 -1.491 99 H GLU 11 HN GLU 11 -11.503 -8.222 -0.457 100 HA GLU 11 HA GLU 11 -11.285 -7.377 -3.150 101 HB2 GLU 11 HB2 GLU 11 -12.953 -6.051 -1.016 102 HB3 GLU 11 HB1 GLU 11 -13.251 -6.086 -2.749 103 HG2 GLU 11 HG2 GLU 11 -14.400 -7.969 -2.584 104 HG3 GLU 11 HG1 GLU 11 -13.095 -8.758 -1.700 105 H GLN 12 HN GLN 12 -10.445 -5.882 -0.071 106 HA GLN 12 HA GLN 12 -9.889 -3.303 -1.095 107 HB2 GLN 12 HB2 GLN 12 -8.970 -4.739 1.393 108 HB3 GLN 12 HB1 GLN 12 -8.527 -3.076 1.037 109 HG2 GLN 12 HG2 GLN 12 -10.847 -2.411 1.066 110 HG3 GLN 12 HG1 GLN 12 -11.350 -4.084 1.304 111 HE21 GLN 12 HE21 GLN 12 -11.197 -1.330 2.863 112 HE22 GLN 12 HE22 GLN 12 -10.805 -1.856 4.461 113 H LEU 13 HN LEU 13 -7.812 -6.103 -0.408 114 HA LEU 13 HA LEU 13 -5.399 -4.872 -1.212 115 HG LEU 13 HG LEU 13 -5.555 -6.980 1.237 116 HB2 LEU 13 HB2 LEU 13 -6.292 -7.702 -0.828 117 HB3 LEU 13 HB1 LEU 13 -4.756 -7.389 -1.606 118 HD11 LEU 13 HD11 LEU 13 -2.949 -7.843 0.005 119 HD12 LEU 13 HD12 LEU 13 -4.265 -8.953 0.392 120 HD13 LEU 13 HD13 LEU 13 -3.473 -8.041 1.677 121 HD21 LEU 13 HD21 LEU 13 -3.515 -5.325 -0.231 122 HD22 LEU 13 HD22 LEU 13 -3.480 -5.568 1.515 123 HD23 LEU 13 HD23 LEU 13 -4.859 -4.765 0.763 124 H ALA 14 HN ALA 14 -7.895 -6.636 -2.924 125 HA ALA 14 HA ALA 14 -6.539 -7.060 -5.346 126 HB1 ALA 14 HB1 ALA 14 -8.576 -7.692 -6.230 127 HB2 ALA 14 HB2 ALA 14 -9.472 -6.491 -5.300 128 HB3 ALA 14 HB3 ALA 14 -8.848 -7.936 -4.504 129 H ARG 15 HN ARG 15 -8.657 -4.406 -4.295 130 HA ARG 15 HA ARG 15 -8.476 -2.895 -6.667 131 HE ARG 15 HE ARG 15 -9.294 1.305 -3.612 132 HB2 ARG 15 HB2 ARG 15 -10.170 -2.530 -4.878 133 HB3 ARG 15 HB1 ARG 15 -8.903 -1.868 -3.853 134 HG2 ARG 15 HG2 ARG 15 -8.554 -0.042 -5.387 135 HG3 ARG 15 HG1 ARG 15 -9.715 -0.733 -6.520 136 HD2 ARG 15 HD2 ARG 15 -11.348 0.362 -5.496 137 HD3 ARG 15 HD1 ARG 15 -11.005 -0.522 -4.011 138 HH11 ARG 15 HH11 ARG 15 -12.246 1.856 -5.411 139 HH12 ARG 15 HH12 ARG 15 -12.301 3.543 -5.030 140 HH21 ARG 15 HH21 ARG 15 -9.381 3.520 -3.117 141 HH22 ARG 15 HH22 ARG 15 -10.680 4.486 -3.732 142 H LEU 16 HN LEU 16 -6.615 -2.770 -3.650 143 HA LEU 16 HA LEU 16 -4.944 -0.624 -4.369 144 HG LEU 16 HG LEU 16 -6.066 -0.601 -2.135 145 HB2 LEU 16 HB2 LEU 16 -4.614 -2.907 -2.436 146 HB3 LEU 16 HB1 LEU 16 -3.381 -1.679 -2.640 147 HD11 LEU 16 HD11 LEU 16 -6.574 -1.578 -0.201 148 HD12 LEU 16 HD12 LEU 16 -4.911 -1.481 0.378 149 HD13 LEU 16 HD13 LEU 16 -5.414 -2.831 -0.640 150 HD21 LEU 16 HD21 LEU 16 -4.801 0.822 -0.595 151 HD22 LEU 16 HD22 LEU 16 -4.069 0.789 -2.200 152 HD23 LEU 16 HD23 LEU 16 -3.358 -0.148 -0.886 153 H LYS 17 HN LYS 17 -4.744 -4.085 -4.943 154 HA LYS 17 HA LYS 17 -2.086 -4.185 -5.860 155 HB2 LYS 17 HB2 LYS 17 -4.307 -5.974 -5.662 156 HB3 LYS 17 HB1 LYS 17 -3.633 -6.106 -7.280 157 HG2 LYS 17 HG2 LYS 17 -1.624 -6.914 -6.530 158 HG3 LYS 17 HG1 LYS 17 -1.788 -6.157 -4.943 159 HD2 LYS 17 HD2 LYS 17 -3.830 -8.174 -5.580 160 HD3 LYS 17 HD1 LYS 17 -2.185 -8.797 -5.438 161 HE2 LYS 17 HE2 LYS 17 -2.342 -7.138 -3.280 162 HE3 LYS 17 HE1 LYS 17 -3.993 -7.746 -3.384 163 HZ1 LYS 17 HZ1 LYS 17 -1.917 -9.748 -3.662 164 HZ2 LYS 17 HZ2 LYS 17 -3.362 -9.800 -2.784 165 HZ3 LYS 17 HZ3 LYS 17 -2.008 -9.020 -2.137 166 H ARG 18 HN ARG 18 -5.156 -3.723 -7.577 167 HA ARG 18 HA ARG 18 -4.088 -3.620 -10.175 168 HE ARG 18 HE ARG 18 -8.510 -2.500 -9.786 169 HB2 ARG 18 HB2 ARG 18 -6.504 -3.875 -9.643 170 HB3 ARG 18 HB1 ARG 18 -6.541 -2.192 -9.131 171 HG2 ARG 18 HG2 ARG 18 -5.463 -2.025 -11.644 172 HG3 ARG 18 HG1 ARG 18 -6.628 -3.341 -11.805 173 HD2 ARG 18 HD2 ARG 18 -7.137 -0.519 -10.886 174 HD3 ARG 18 HD1 ARG 18 -7.763 -1.318 -12.329 175 HH11 ARG 18 HH11 ARG 18 -9.400 -0.355 -12.396 176 HH12 ARG 18 HH12 ARG 18 -11.092 -0.428 -12.041 177 HH21 ARG 18 HH21 ARG 18 -10.735 -2.590 -9.320 178 HH22 ARG 18 HH22 ARG 18 -11.849 -1.694 -10.296 179 H GLU 19 HN GLU 19 -4.775 -1.054 -7.823 180 HA GLU 19 HA GLU 19 -3.985 1.104 -9.451 181 HB2 GLU 19 HB2 GLU 19 -4.249 0.722 -6.484 182 HB3 GLU 19 HB1 GLU 19 -3.581 2.213 -7.132 183 HG2 GLU 19 HG2 GLU 19 -5.714 2.298 -8.564 184 HG3 GLU 19 HG1 GLU 19 -6.342 1.103 -7.428 185 H PHE 20 HN PHE 20 -2.204 -0.998 -7.262 186 HA PHE 20 HA PHE 20 0.222 0.438 -7.257 187 HD1 PHE 20 HD2 PHE 20 1.861 -3.212 -7.866 188 HD2 PHE 20 HD1 PHE 20 1.722 -0.353 -4.717 189 HE1 PHE 20 HE2 PHE 20 4.274 -3.512 -7.493 190 HE2 PHE 20 HE1 PHE 20 4.136 -0.647 -4.338 191 HZ PHE 20 HZ PHE 20 5.413 -2.229 -5.727 192 HB2 PHE 20 HB2 PHE 20 -0.295 -1.306 -5.606 193 HB3 PHE 20 HB1 PHE 20 -0.249 -2.527 -6.873 194 H ASN 21 HN ASN 21 -1.047 -2.093 -9.366 195 HA ASN 21 HA ASN 21 1.315 -2.543 -10.838 196 HB2 ASN 21 HB2 ASN 21 -1.383 -3.459 -10.890 197 HB3 ASN 21 HB1 ASN 21 -0.956 -2.950 -12.521 198 HD21 ASN 21 HD21 ASN 21 -1.367 -5.616 -11.146 199 HD22 ASN 21 HD22 ASN 21 0.024 -6.535 -11.593 200 H GLU 22 HN GLU 22 -1.115 -0.062 -11.004 201 HA GLU 22 HA GLU 22 -0.289 0.875 -13.613 202 HB2 GLU 22 HB2 GLU 22 -2.116 2.141 -11.561 203 HB3 GLU 22 HB1 GLU 22 -1.893 2.702 -13.211 204 HG2 GLU 22 HG2 GLU 22 -2.864 0.684 -14.084 205 HG3 GLU 22 HG1 GLU 22 -2.964 -0.008 -12.465 206 H ASN 23 HN ASN 23 0.269 1.646 -10.252 207 HA ASN 23 HA ASN 23 2.598 3.196 -10.941 208 HB2 ASN 23 HB2 ASN 23 0.117 4.530 -10.403 209 HB3 ASN 23 HB1 ASN 23 1.239 4.867 -9.088 210 HD21 ASN 23 HD21 ASN 23 1.855 6.890 -9.492 211 HD22 ASN 23 HD22 ASN 23 2.585 7.432 -10.961 212 H ARG 24 HN ARG 24 4.089 2.431 -9.608 213 HA ARG 24 HA ARG 24 3.428 1.027 -7.218 214 HE ARG 24 HE ARG 24 6.210 -1.414 -11.042 215 HB2 ARG 24 HB2 ARG 24 6.135 1.939 -8.196 216 HB3 ARG 24 HB1 ARG 24 5.831 0.721 -6.962 217 HG2 ARG 24 HG2 ARG 24 4.823 -0.742 -8.582 218 HG3 ARG 24 HG1 ARG 24 4.949 0.497 -9.832 219 HD2 ARG 24 HD2 ARG 24 7.360 0.402 -9.737 220 HD3 ARG 24 HD1 ARG 24 7.291 -0.730 -8.389 221 HH11 ARG 24 HH11 ARG 24 8.271 -2.154 -8.313 222 HH12 ARG 24 HH12 ARG 24 8.664 -3.735 -8.890 223 HH21 ARG 24 HH21 ARG 24 6.735 -3.493 -11.790 224 HH22 ARG 24 HH22 ARG 24 7.797 -4.495 -10.859 225 H TYR 25 HN TYR 25 3.531 4.287 -7.750 226 HA TYR 25 HA TYR 25 4.521 4.871 -5.046 227 HD1 TYR 25 HD1 TYR 25 4.865 5.704 -9.149 228 HD2 TYR 25 HD2 TYR 25 7.260 6.227 -5.671 229 HE1 TYR 25 HE1 TYR 25 6.862 5.068 -10.436 230 HE2 TYR 25 HE2 TYR 25 9.263 5.592 -6.949 231 HH TYR 25 HH TYR 25 9.220 4.027 -9.781 232 HB2 TYR 25 HB2 TYR 25 4.018 6.915 -7.203 233 HB3 TYR 25 HB1 TYR 25 4.999 7.082 -5.752 234 H LEU 26 HN LEU 26 3.367 6.963 -4.160 235 HA LEU 26 HA LEU 26 0.501 6.891 -4.721 236 HG LEU 26 HG LEU 26 0.447 4.310 -3.155 237 HB2 LEU 26 HB2 LEU 26 1.809 5.978 -2.245 238 HB3 LEU 26 HB1 LEU 26 0.469 7.076 -2.002 239 HD11 LEU 26 HD11 LEU 26 0.099 4.756 -0.724 240 HD12 LEU 26 HD12 LEU 26 -1.258 3.952 -1.515 241 HD13 LEU 26 HD13 LEU 26 -1.342 5.679 -1.156 242 HD21 LEU 26 HD21 LEU 26 -1.938 4.700 -3.757 243 HD22 LEU 26 HD22 LEU 26 -0.788 5.538 -4.799 244 HD23 LEU 26 HD23 LEU 26 -1.658 6.429 -3.548 245 H THR 27 HN THR 27 -0.405 8.842 -4.691 246 HA THR 27 HA THR 27 1.233 11.112 -3.854 247 HB THR 27 HB THR 27 -0.208 12.477 -5.161 248 HG1 THR 27 HG1 THR 27 -2.231 12.004 -5.551 249 HG21 THR 27 HG21 THR 27 -0.610 10.912 -7.283 250 HG22 THR 27 HG22 THR 27 0.561 9.921 -6.413 251 HG23 THR 27 HG23 THR 27 0.966 11.579 -6.858 252 H GLU 28 HN GLU 28 0.129 12.901 -2.665 253 HA GLU 28 HA GLU 28 -0.924 12.041 -0.241 254 HB2 GLU 28 HB2 GLU 28 -0.152 14.475 -1.326 255 HB3 GLU 28 HB1 GLU 28 -1.864 14.702 -0.996 256 HG2 GLU 28 HG2 GLU 28 -0.668 15.436 0.910 257 HG3 GLU 28 HG1 GLU 28 -1.441 13.909 1.332 258 H ARG 29 HN ARG 29 -2.589 13.310 -3.096 259 HA ARG 29 HA ARG 29 -5.203 13.197 -2.102 260 HE ARG 29 HE ARG 29 -9.124 13.612 -5.441 261 HB2 ARG 29 HB2 ARG 29 -4.123 14.144 -4.362 262 HB3 ARG 29 HB1 ARG 29 -4.764 12.628 -4.983 263 HG2 ARG 29 HG2 ARG 29 -6.477 14.497 -3.389 264 HG3 ARG 29 HG1 ARG 29 -6.231 14.724 -5.121 265 HD2 ARG 29 HD2 ARG 29 -7.126 12.532 -5.582 266 HD3 ARG 29 HD1 ARG 29 -7.247 12.182 -3.859 267 HH11 ARG 29 HH11 ARG 29 -7.740 13.462 -2.240 268 HH12 ARG 29 HH12 ARG 29 -9.127 14.156 -1.471 269 HH21 ARG 29 HH21 ARG 29 -10.950 14.525 -4.431 270 HH22 ARG 29 HH22 ARG 29 -10.951 14.759 -2.715 271 H ARG 30 HN ARG 30 -3.245 10.741 -3.758 272 HA ARG 30 HA ARG 30 -5.345 8.858 -4.039 273 HE ARG 30 HE ARG 30 -3.282 5.921 -7.800 274 HB2 ARG 30 HB2 ARG 30 -2.358 8.725 -4.198 275 HB3 ARG 30 HB1 ARG 30 -3.295 7.238 -4.182 276 HG2 ARG 30 HG2 ARG 30 -4.179 9.302 -6.089 277 HG3 ARG 30 HG1 ARG 30 -2.621 8.543 -6.420 278 HD2 ARG 30 HD2 ARG 30 -4.187 6.396 -5.773 279 HD3 ARG 30 HD1 ARG 30 -5.328 7.449 -6.608 280 HH11 ARG 30 HH11 ARG 30 -4.794 9.058 -8.011 281 HH12 ARG 30 HH12 ARG 30 -4.432 9.258 -9.691 282 HH21 ARG 30 HH21 ARG 30 -2.803 6.183 -10.011 283 HH22 ARG 30 HH22 ARG 30 -3.302 7.626 -10.828 284 H ARG 31 HN ARG 31 -2.830 9.323 -1.596 285 HA ARG 31 HA ARG 31 -3.322 7.030 -0.081 286 HE ARG 31 HE ARG 31 -0.390 8.401 3.785 287 HB2 ARG 31 HB2 ARG 31 -1.550 9.089 0.065 288 HB3 ARG 31 HB1 ARG 31 -2.591 9.457 1.432 289 HG2 ARG 31 HG2 ARG 31 -1.953 7.605 2.599 290 HG3 ARG 31 HG1 ARG 31 -1.596 6.675 1.141 291 HD2 ARG 31 HD2 ARG 31 0.552 7.099 1.586 292 HD3 ARG 31 HD1 ARG 31 0.220 8.732 1.013 293 HH11 ARG 31 HH11 ARG 31 2.199 8.987 1.519 294 HH12 ARG 31 HH12 ARG 31 3.201 9.792 2.680 295 HH21 ARG 31 HH21 ARG 31 0.929 9.457 5.314 296 HH22 ARG 31 HH22 ARG 31 2.481 10.058 4.834 297 H GLN 32 HN GLN 32 -4.590 10.330 0.349 298 HA GLN 32 HA GLN 32 -6.282 9.681 2.521 299 HB2 GLN 32 HB2 GLN 32 -5.472 11.976 1.952 300 HB3 GLN 32 HB1 GLN 32 -6.576 11.980 0.584 301 HG2 GLN 32 HG2 GLN 32 -7.715 11.384 3.251 302 HG3 GLN 32 HG1 GLN 32 -7.199 13.040 2.934 303 HE21 GLN 32 HE21 GLN 32 -8.022 13.985 0.873 304 HE22 GLN 32 HE22 GLN 32 -9.650 13.622 0.426 305 H GLN 33 HN GLN 33 -6.838 9.880 -0.971 306 HA GLN 33 HA GLN 33 -9.643 9.519 -0.847 307 HB2 GLN 33 HB2 GLN 33 -7.572 9.333 -2.981 308 HB3 GLN 33 HB1 GLN 33 -9.139 8.600 -3.290 309 HG2 GLN 33 HG2 GLN 33 -8.760 11.460 -2.442 310 HG3 GLN 33 HG1 GLN 33 -8.900 10.932 -4.119 311 HE21 GLN 33 HE21 GLN 33 -10.558 11.297 -1.076 312 HE22 GLN 33 HE22 GLN 33 -12.161 11.148 -1.704 313 H LEU 34 HN LEU 34 -6.939 7.272 -1.190 314 HA LEU 34 HA LEU 34 -8.506 4.957 -1.606 315 HG LEU 34 HG LEU 34 -6.734 4.925 -3.259 316 HB2 LEU 34 HB2 LEU 34 -5.687 5.540 -0.906 317 HB3 LEU 34 HB1 LEU 34 -6.278 3.945 -0.478 318 HD11 LEU 34 HD11 LEU 34 -4.286 5.302 -2.453 319 HD12 LEU 34 HD12 LEU 34 -4.594 4.517 -4.001 320 HD13 LEU 34 HD13 LEU 34 -4.173 3.548 -2.590 321 HD21 LEU 34 HD21 LEU 34 -6.585 2.590 -3.786 322 HD22 LEU 34 HD22 LEU 34 -7.669 2.784 -2.408 323 HD23 LEU 34 HD23 LEU 34 -6.020 2.212 -2.159 324 H SER 35 HN SER 35 -7.225 6.509 1.295 325 HA SER 35 HA SER 35 -7.900 4.518 3.145 326 HG SER 35 HG SER 35 -8.958 7.370 4.749 327 HB2 SER 35 HB2 SER 35 -6.523 6.085 4.108 328 HB3 SER 35 HB1 SER 35 -7.298 7.433 3.276 329 H SER 36 HN SER 36 -9.667 7.434 2.177 330 HA SER 36 HA SER 36 -11.967 6.854 3.746 331 HG SER 36 HG SER 36 -13.903 8.239 2.555 332 HB2 SER 36 HB2 SER 36 -11.229 9.128 2.857 333 HB3 SER 36 HB1 SER 36 -11.925 8.636 1.313 334 H GLU 37 HN GLU 37 -11.288 6.499 0.277 335 HA GLU 37 HA GLU 37 -13.818 5.558 -0.466 336 HB2 GLU 37 HB2 GLU 37 -11.882 6.390 -1.938 337 HB3 GLU 37 HB1 GLU 37 -11.283 4.739 -1.856 338 HG2 GLU 37 HG2 GLU 37 -12.617 5.232 -3.882 339 HG3 GLU 37 HG1 GLU 37 -13.247 3.898 -2.918 340 H LEU 38 HN LEU 38 -10.890 3.728 0.434 341 HA LEU 38 HA LEU 38 -12.305 1.219 0.123 342 HG LEU 38 HG LEU 38 -10.202 1.437 -1.579 343 HB2 LEU 38 HB2 LEU 38 -9.508 2.011 0.769 344 HB3 LEU 38 HB1 LEU 38 -10.048 0.418 1.254 345 HD11 LEU 38 HD11 LEU 38 -7.884 1.349 -0.956 346 HD12 LEU 38 HD12 LEU 38 -8.252 -0.036 -1.982 347 HD13 LEU 38 HD13 LEU 38 -8.095 -0.248 -0.239 348 HD21 LEU 38 HD21 LEU 38 -11.492 -0.353 -1.857 349 HD22 LEU 38 HD22 LEU 38 -11.189 -0.907 -0.211 350 HD23 LEU 38 HD23 LEU 38 -10.075 -1.343 -1.506 351 H GLY 39 HN GLY 39 -11.002 3.166 2.781 352 HA2 GLY 39 HA2 GLY 39 -12.291 3.282 4.842 353 HA3 GLY 39 HA1 GLY 39 -12.695 1.586 4.614 354 H LEU 40 HN LEU 40 -9.492 2.904 4.110 355 HA LEU 40 HA LEU 40 -8.583 1.513 6.544 356 HG LEU 40 HG LEU 40 -9.062 -0.151 4.487 357 HB2 LEU 40 HB2 LEU 40 -7.173 1.703 3.880 358 HB3 LEU 40 HB1 LEU 40 -6.483 1.006 5.332 359 HD11 LEU 40 HD11 LEU 40 -8.323 -1.294 2.611 360 HD12 LEU 40 HD12 LEU 40 -6.625 -0.958 2.952 361 HD13 LEU 40 HD13 LEU 40 -7.678 0.329 2.365 362 HD21 LEU 40 HD21 LEU 40 -8.319 -1.907 5.658 363 HD22 LEU 40 HD22 LEU 40 -7.081 -0.803 6.259 364 HD23 LEU 40 HD23 LEU 40 -6.729 -1.862 4.893 365 H ASN 41 HN ASN 41 -6.435 2.325 7.330 366 HA ASN 41 HA ASN 41 -6.549 5.189 7.522 367 HB2 ASN 41 HB2 ASN 41 -5.821 3.359 9.301 368 HB3 ASN 41 HB1 ASN 41 -4.233 3.651 8.600 369 HD21 ASN 41 HD21 ASN 41 -7.000 5.724 9.392 370 HD22 ASN 41 HD22 ASN 41 -6.102 6.846 10.350 371 H GLU 42 HN GLU 42 -5.215 6.685 6.650 372 HA GLU 42 HA GLU 42 -3.985 6.277 4.223 373 HB2 GLU 42 HB2 GLU 42 -3.632 8.383 6.333 374 HB3 GLU 42 HB1 GLU 42 -2.656 8.416 4.871 375 HG2 GLU 42 HG2 GLU 42 -4.704 8.484 3.522 376 HG3 GLU 42 HG1 GLU 42 -5.662 8.496 5.002 377 H ALA 43 HN ALA 43 -2.565 6.095 7.449 378 HA ALA 43 HA ALA 43 0.125 5.840 6.641 379 HB1 ALA 43 HB1 ALA 43 -0.713 6.375 8.955 380 HB2 ALA 43 HB2 ALA 43 0.591 5.191 8.873 381 HB3 ALA 43 HB3 ALA 43 -1.069 4.658 9.139 382 H GLN 44 HN GLN 44 -2.465 3.495 7.062 383 HA GLN 44 HA GLN 44 -0.822 1.186 6.860 384 HB2 GLN 44 HB2 GLN 44 -3.760 1.413 6.188 385 HB3 GLN 44 HB1 GLN 44 -2.881 -0.052 6.611 386 HG2 GLN 44 HG2 GLN 44 -2.948 2.211 8.544 387 HG3 GLN 44 HG1 GLN 44 -4.365 1.176 8.373 388 HE21 GLN 44 HE21 GLN 44 -2.388 1.579 10.571 389 HE22 GLN 44 HE22 GLN 44 -1.825 -0.008 10.957 390 H ILE 45 HN ILE 45 -2.645 3.109 4.524 391 HA ILE 45 HA ILE 45 -2.225 1.403 2.307 392 HB ILE 45 HB ILE 45 -2.637 4.397 2.259 393 HG12 ILE 45 HG12 ILE 45 -4.912 2.597 1.731 394 HG13 ILE 45 HG11 ILE 45 -4.336 2.589 3.395 395 HG21 ILE 45 HG21 ILE 45 -3.504 2.469 0.141 396 HG22 ILE 45 HG22 ILE 45 -1.856 3.092 0.166 397 HG23 ILE 45 HG23 ILE 45 -3.217 4.205 0.021 398 HD11 ILE 45 HD11 ILE 45 -5.416 4.471 3.791 399 HD12 ILE 45 HD12 ILE 45 -6.029 4.450 2.138 400 HD13 ILE 45 HD13 ILE 45 -4.520 5.284 2.508 401 H LYS 46 HN LYS 46 -0.464 4.230 3.538 402 HA LYS 46 HA LYS 46 1.448 4.418 1.505 403 HB2 LYS 46 HB2 LYS 46 0.956 5.996 3.516 404 HB3 LYS 46 HB1 LYS 46 2.123 4.999 4.373 405 HG2 LYS 46 HG2 LYS 46 2.830 6.193 1.726 406 HG3 LYS 46 HG1 LYS 46 2.903 7.168 3.195 407 HD2 LYS 46 HD2 LYS 46 4.197 4.501 3.273 408 HD3 LYS 46 HD1 LYS 46 4.980 5.749 2.304 409 HE2 LYS 46 HE2 LYS 46 4.120 6.705 4.917 410 HE3 LYS 46 HE1 LYS 46 5.272 5.375 5.017 411 HZ1 LYS 46 HZ1 LYS 46 6.920 6.609 4.108 412 HZ2 LYS 46 HZ2 LYS 46 6.034 7.878 4.791 413 HZ3 LYS 46 HZ3 LYS 46 5.877 7.530 3.143 414 H ILE 47 HN ILE 47 1.512 2.592 4.556 415 HA ILE 47 HA ILE 47 4.111 1.532 4.197 416 HB ILE 47 HB ILE 47 1.824 0.363 5.794 417 HG12 ILE 47 HG12 ILE 47 4.095 1.979 6.915 418 HG13 ILE 47 HG11 ILE 47 2.672 2.783 6.261 419 HG21 ILE 47 HG21 ILE 47 4.778 -0.068 6.186 420 HG22 ILE 47 HG22 ILE 47 3.748 -1.170 5.272 421 HG23 ILE 47 HG23 ILE 47 3.446 -0.899 6.988 422 HD11 ILE 47 HD11 ILE 47 1.424 2.266 8.039 423 HD12 ILE 47 HD12 ILE 47 2.971 1.977 8.834 424 HD13 ILE 47 HD13 ILE 47 2.071 0.628 8.141 425 H TRP 48 HN TRP 48 0.897 0.371 3.305 426 HA TRP 48 HA TRP 48 1.623 -2.201 2.458 427 HD1 TRP 48 HD1 TRP 48 -0.949 -4.085 2.445 428 HE1 TRP 48 HE1 TRP 48 -1.587 -5.501 0.394 429 HE3 TRP 48 HE3 TRP 48 -0.369 -0.541 -1.206 430 HZ2 TRP 48 HZ2 TRP 48 -1.814 -5.168 -2.397 431 HZ3 TRP 48 HZ3 TRP 48 -0.815 -1.179 -3.541 432 HH2 TRP 48 HH2 TRP 48 -1.523 -3.442 -4.121 433 HB2 TRP 48 HB2 TRP 48 -0.717 -1.456 2.800 434 HB3 TRP 48 HB1 TRP 48 -0.587 -0.445 1.365 435 H PHE 49 HN PHE 49 1.465 0.867 0.707 436 HA PHE 49 HA PHE 49 2.146 -0.179 -1.826 437 HD1 PHE 49 HD1 PHE 49 -0.510 1.529 -1.472 438 HD2 PHE 49 HD2 PHE 49 2.725 2.505 -4.057 439 HE1 PHE 49 HE1 PHE 49 -2.070 1.653 -3.371 440 HE2 PHE 49 HE2 PHE 49 1.171 2.631 -5.955 441 HZ PHE 49 HZ PHE 49 -1.229 2.205 -5.619 442 HB2 PHE 49 HB2 PHE 49 1.702 2.425 -0.638 443 HB3 PHE 49 HB1 PHE 49 3.064 2.467 -1.752 444 H GLN 50 HN GLN 50 4.100 1.397 0.691 445 HA GLN 50 HA GLN 50 6.555 1.239 -0.673 446 HB2 GLN 50 HB2 GLN 50 5.918 2.598 1.432 447 HB3 GLN 50 HB1 GLN 50 6.328 1.139 2.322 448 HG2 GLN 50 HG2 GLN 50 8.209 2.632 2.297 449 HG3 GLN 50 HG1 GLN 50 8.580 1.197 1.345 450 HE21 GLN 50 HE21 GLN 50 8.574 1.366 -0.943 451 HE22 GLN 50 HE22 GLN 50 8.833 2.888 -1.717 452 H ASN 51 HN ASN 51 4.889 -1.022 1.456 453 HA ASN 51 HA ASN 51 7.065 -2.821 1.756 454 HB2 ASN 51 HB2 ASN 51 4.221 -2.757 2.461 455 HB3 ASN 51 HB1 ASN 51 4.807 -4.371 2.074 456 HD21 ASN 51 HD21 ASN 51 6.594 -1.712 3.542 457 HD22 ASN 51 HD22 ASN 51 6.894 -2.507 5.046 458 H LYS 52 HN LYS 52 4.344 -2.645 -0.495 459 HA LYS 52 HA LYS 52 4.865 -5.094 -1.809 460 HB2 LYS 52 HB2 LYS 52 2.977 -2.976 -2.010 461 HB3 LYS 52 HB1 LYS 52 3.652 -3.239 -3.612 462 HG2 LYS 52 HG2 LYS 52 3.031 -5.749 -2.354 463 HG3 LYS 52 HG1 LYS 52 1.622 -4.686 -2.364 464 HD2 LYS 52 HD2 LYS 52 2.092 -4.296 -4.816 465 HD3 LYS 52 HD1 LYS 52 3.261 -5.615 -4.713 466 HE2 LYS 52 HE2 LYS 52 0.442 -5.997 -3.780 467 HE3 LYS 52 HE1 LYS 52 0.843 -6.122 -5.492 468 HZ1 LYS 52 HZ1 LYS 52 1.092 -8.276 -4.802 469 HZ2 LYS 52 HZ2 LYS 52 1.651 -7.855 -3.263 470 HZ3 LYS 52 HZ3 LYS 52 2.676 -7.717 -4.602 471 H ARG 53 HN ARG 53 5.828 -1.754 -2.492 472 HA ARG 53 HA ARG 53 7.187 -2.360 -4.909 473 HE ARG 53 HE ARG 53 8.442 2.640 -5.358 474 HB2 ARG 53 HB2 ARG 53 6.339 -0.077 -4.047 475 HB3 ARG 53 HB1 ARG 53 7.847 -0.014 -3.146 476 HG2 ARG 53 HG2 ARG 53 8.296 -0.705 -5.917 477 HG3 ARG 53 HG1 ARG 53 7.427 0.822 -5.754 478 HD2 ARG 53 HD2 ARG 53 9.657 0.528 -3.887 479 HD3 ARG 53 HD1 ARG 53 10.144 0.503 -5.581 480 HH11 ARG 53 HH11 ARG 53 11.428 1.664 -3.837 481 HH12 ARG 53 HH12 ARG 53 11.962 3.288 -3.560 482 HH21 ARG 53 HH21 ARG 53 9.143 4.775 -4.993 483 HH22 ARG 53 HH22 ARG 53 10.666 5.054 -4.215 484 H ALA 54 HN ALA 54 8.168 -2.173 -1.536 485 HA ALA 54 HA ALA 54 10.958 -2.349 -1.979 486 HB1 ALA 54 HB1 ALA 54 10.326 -1.554 0.127 487 HB2 ALA 54 HB2 ALA 54 10.951 -3.172 0.445 488 HB3 ALA 54 HB3 ALA 54 9.210 -2.892 0.397 489 H LYS 55 HN LYS 55 8.407 -4.709 -1.863 490 HA LYS 55 HA LYS 55 10.117 -6.978 -1.498 491 HB2 LYS 55 HB2 LYS 55 7.242 -6.488 -1.898 492 HB3 LYS 55 HB1 LYS 55 7.826 -8.005 -2.570 493 HG2 LYS 55 HG2 LYS 55 8.725 -8.634 -0.394 494 HG3 LYS 55 HG1 LYS 55 8.161 -7.104 0.285 495 HD2 LYS 55 HD2 LYS 55 6.380 -9.192 -0.968 496 HD3 LYS 55 HD1 LYS 55 6.646 -9.006 0.766 497 HE2 LYS 55 HE2 LYS 55 5.918 -6.537 0.315 498 HE3 LYS 55 HE1 LYS 55 5.186 -7.225 -1.134 499 HZ1 LYS 55 HZ1 LYS 55 4.608 -8.710 1.260 500 HZ2 LYS 55 HZ2 LYS 55 3.561 -8.156 0.053 501 HZ3 LYS 55 HZ3 LYS 55 4.027 -7.121 1.307 502 H ILE 56 HN ILE 56 9.570 -4.950 -4.114 503 HA ILE 56 HA ILE 56 10.319 -7.069 -6.021 504 HB ILE 56 HB ILE 56 9.064 -4.448 -6.806 505 HG12 ILE 56 HG12 ILE 56 7.446 -6.956 -6.717 506 HG13 ILE 56 HG11 ILE 56 7.691 -6.076 -5.213 507 HG21 ILE 56 HG21 ILE 56 8.364 -6.016 -8.756 508 HG22 ILE 56 HG22 ILE 56 9.675 -7.035 -8.165 509 HG23 ILE 56 HG23 ILE 56 10.009 -5.385 -8.690 510 HD11 ILE 56 HD11 ILE 56 6.585 -4.839 -7.717 511 HD12 ILE 56 HD12 ILE 56 6.649 -4.128 -6.104 512 HD13 ILE 56 HD13 ILE 56 5.597 -5.508 -6.419 513 H LYS 57 HN LYS 57 10.704 -3.591 -5.356 514 HA LYS 57 HA LYS 57 13.101 -3.480 -6.983 515 HB2 LYS 57 HB2 LYS 57 11.292 -1.641 -6.736 516 HB3 LYS 57 HB1 LYS 57 12.104 -1.257 -5.224 517 HG2 LYS 57 HG2 LYS 57 13.409 0.081 -6.422 518 HG3 LYS 57 HG1 LYS 57 14.173 -1.383 -7.041 519 HD2 LYS 57 HD2 LYS 57 13.098 -1.257 -9.049 520 HD3 LYS 57 HD1 LYS 57 11.675 -0.475 -8.361 521 HE2 LYS 57 HE2 LYS 57 12.721 1.161 -9.698 522 HE3 LYS 57 HE1 LYS 57 13.127 1.572 -8.033 523 HZ1 LYS 57 HZ1 LYS 57 14.876 0.186 -9.991 524 HZ2 LYS 57 HZ2 LYS 57 15.269 0.429 -8.364 525 HZ3 LYS 57 HZ3 LYS 57 15.072 1.757 -9.392 526 H LYS 58 HN LYS 58 14.879 -4.351 -6.122 527 HA LYS 58 HA LYS 58 16.153 -3.204 -3.896 528 HB2 LYS 58 HB2 LYS 58 14.277 -4.662 -2.847 529 HB3 LYS 58 HB1 LYS 58 15.299 -6.021 -3.294 530 HG2 LYS 58 HG2 LYS 58 15.965 -5.637 -1.134 531 HG3 LYS 58 HG1 LYS 58 17.149 -4.686 -2.035 532 HD2 LYS 58 HD2 LYS 58 15.531 -2.725 -1.728 533 HD3 LYS 58 HD1 LYS 58 14.741 -3.731 -0.513 534 HE2 LYS 58 HE2 LYS 58 16.288 -3.205 0.992 535 HE3 LYS 58 HE1 LYS 58 17.573 -3.754 -0.082 536 HZ1 LYS 58 HZ1 LYS 58 16.615 -1.256 -0.967 537 HZ2 LYS 58 HZ2 LYS 58 18.164 -1.663 -0.426 538 HZ3 LYS 58 HZ3 LYS 58 16.993 -1.146 0.679 539 H SER 59 HN SER 59 17.874 -3.161 -5.330 540 HA SER 59 HA SER 59 19.555 -5.459 -5.322 541 HG SER 59 HG SER 59 20.528 -6.172 -7.772 542 HB2 SER 59 HB2 SER 59 17.776 -5.701 -7.291 543 HB3 SER 59 HB1 SER 59 18.919 -4.644 -8.120 Start of MODEL 21 1 HA MET -1 HA MET -1 5.411 -17.219 17.875 2 H1 MET -1 HT1 MET -1 6.424 -17.146 19.835 3 H2 MET -1 HT2 MET -1 4.803 -17.254 20.386 4 H3 MET -1 HT3 MET -1 5.602 -15.735 20.356 5 HB2 MET -1 HB2 MET -1 3.138 -16.510 19.524 6 HB3 MET -1 HB1 MET -1 3.101 -15.625 18.005 7 HG2 MET -1 HG2 MET -1 3.215 -17.688 16.758 8 HG3 MET -1 HG1 MET -1 3.371 -18.611 18.251 9 HE1 MET -1 HE1 MET -1 0.718 -17.101 20.133 10 HE2 MET -1 HE2 MET -1 1.831 -18.469 20.105 11 HE3 MET -1 HE3 MET -1 0.104 -18.732 19.865 12 H ASP 0 HN ASP 0 7.310 -15.832 17.601 13 HA ASP 0 HA ASP 0 7.048 -12.990 17.679 14 HB2 ASP 0 HB2 ASP 0 9.176 -14.677 17.635 15 HB3 ASP 0 HB1 ASP 0 9.151 -14.149 15.956 16 H GLU 1 HN GLU 1 6.878 -11.534 15.964 17 HA GLU 1 HA GLU 1 5.819 -12.696 13.472 18 HB2 GLU 1 HB2 GLU 1 5.166 -10.018 14.714 19 HB3 GLU 1 HB1 GLU 1 4.488 -10.653 13.222 20 HG2 GLU 1 HG2 GLU 1 3.109 -12.106 14.298 21 HG3 GLU 1 HG1 GLU 1 4.193 -12.286 15.678 22 H LYS 2 HN LYS 2 6.300 -11.628 11.496 23 HA LYS 2 HA LYS 2 8.640 -9.844 11.608 24 HB2 LYS 2 HB2 LYS 2 9.473 -10.970 9.545 25 HB3 LYS 2 HB1 LYS 2 9.459 -12.010 10.963 26 HG2 LYS 2 HG2 LYS 2 7.498 -13.142 10.196 27 HG3 LYS 2 HG1 LYS 2 7.299 -11.998 8.867 28 HD2 LYS 2 HD2 LYS 2 9.573 -12.753 8.052 29 HD3 LYS 2 HD1 LYS 2 9.462 -14.060 9.234 30 HE2 LYS 2 HE2 LYS 2 7.784 -15.128 8.098 31 HE3 LYS 2 HE1 LYS 2 7.181 -13.639 7.371 32 HZ1 LYS 2 HZ1 LYS 2 9.829 -14.655 6.598 33 HZ2 LYS 2 HZ2 LYS 2 8.743 -13.713 5.710 34 HZ3 LYS 2 HZ3 LYS 2 8.445 -15.363 5.931 35 H ARG 3 HN ARG 3 5.849 -10.940 9.729 36 HA ARG 3 HA ARG 3 6.046 -8.899 7.758 37 HE ARG 3 HE ARG 3 3.673 -12.456 6.695 38 HB2 ARG 3 HB2 ARG 3 4.746 -11.192 7.766 39 HB3 ARG 3 HB1 ARG 3 3.440 -10.208 8.413 40 HG2 ARG 3 HG2 ARG 3 3.539 -8.764 6.458 41 HG3 ARG 3 HG1 ARG 3 4.878 -9.715 5.813 42 HD2 ARG 3 HD2 ARG 3 2.045 -10.627 6.282 43 HD3 ARG 3 HD1 ARG 3 2.855 -10.412 4.733 44 HH11 ARG 3 HH11 ARG 3 2.959 -11.496 3.406 45 HH12 ARG 3 HH12 ARG 3 3.386 -13.034 2.741 46 HH21 ARG 3 HH21 ARG 3 4.229 -14.470 5.809 47 HH22 ARG 3 HH22 ARG 3 4.104 -14.719 4.100 48 HA PRO 4 HA PRO 4 4.528 -5.408 10.050 49 HB2 PRO 4 HB2 PRO 4 3.377 -4.592 7.433 50 HB3 PRO 4 HB1 PRO 4 4.447 -3.701 8.519 51 HG2 PRO 4 HG2 PRO 4 5.376 -4.761 6.259 52 HG3 PRO 4 HG1 PRO 4 6.349 -4.771 7.742 53 HD2 PRO 4 HD2 PRO 4 4.818 -6.994 6.461 54 HD3 PRO 4 HD1 PRO 4 6.384 -7.036 7.298 55 H ARG 5 HN ARG 5 2.392 -4.097 10.142 56 HA ARG 5 HA ARG 5 0.240 -6.034 10.422 57 HE ARG 5 HE ARG 5 -0.916 -5.090 14.753 58 HB2 ARG 5 HB2 ARG 5 0.840 -4.404 12.243 59 HB3 ARG 5 HB1 ARG 5 0.241 -3.116 11.205 60 HG2 ARG 5 HG2 ARG 5 -1.976 -4.022 11.256 61 HG3 ARG 5 HG1 ARG 5 -1.418 -5.455 12.120 62 HD2 ARG 5 HD2 ARG 5 -1.277 -2.635 13.178 63 HD3 ARG 5 HD1 ARG 5 -2.534 -3.800 13.582 64 HH11 ARG 5 HH11 ARG 5 0.314 -2.015 13.623 65 HH12 ARG 5 HH12 ARG 5 1.640 -2.005 14.734 66 HH21 ARG 5 HH21 ARG 5 0.830 -5.066 16.204 67 HH22 ARG 5 HH22 ARG 5 1.934 -3.732 16.195 68 H THR 6 HN THR 6 -1.725 -5.930 9.389 69 HA THR 6 HA THR 6 -2.236 -3.780 7.497 70 HB THR 6 HB THR 6 -2.793 -5.579 5.734 71 HG1 THR 6 HG1 THR 6 -1.035 -7.032 7.417 72 HG21 THR 6 HG21 THR 6 -0.640 -5.537 4.775 73 HG22 THR 6 HG22 THR 6 0.132 -5.292 6.341 74 HG23 THR 6 HG23 THR 6 -0.840 -4.006 5.626 75 H ALA 7 HN ALA 7 -3.516 -7.077 7.933 76 HA ALA 7 HA ALA 7 -5.608 -7.846 8.403 77 HB1 ALA 7 HB1 ALA 7 -6.034 -5.267 9.882 78 HB2 ALA 7 HB2 ALA 7 -5.064 -6.594 10.521 79 HB3 ALA 7 HB3 ALA 7 -6.780 -6.834 10.189 80 H PHE 8 HN PHE 8 -5.393 -6.728 5.943 81 HA PHE 8 HA PHE 8 -7.659 -4.938 5.554 82 HD1 PHE 8 HD1 PHE 8 -6.278 -3.397 5.965 83 HD2 PHE 8 HD2 PHE 8 -3.767 -4.993 2.923 84 HE1 PHE 8 HE1 PHE 8 -4.476 -1.874 6.660 85 HE2 PHE 8 HE2 PHE 8 -1.959 -3.473 3.615 86 HZ PHE 8 HZ PHE 8 -2.312 -1.911 5.484 87 HB2 PHE 8 HB2 PHE 8 -5.795 -6.063 3.457 88 HB3 PHE 8 HB1 PHE 8 -6.886 -4.693 3.285 89 H SER 9 HN SER 9 -8.529 -5.694 3.055 90 HA SER 9 HA SER 9 -9.643 -8.387 3.494 91 HG SER 9 HG SER 9 -11.384 -5.098 2.206 92 HB2 SER 9 HB2 SER 9 -11.796 -7.678 2.896 93 HB3 SER 9 HB1 SER 9 -11.204 -6.340 3.882 94 H SER 10 HN SER 10 -10.265 -9.531 1.539 95 HA SER 10 HA SER 10 -8.346 -9.491 -0.460 96 HG SER 10 HG SER 10 -10.677 -12.258 0.204 97 HB2 SER 10 HB2 SER 10 -10.999 -10.412 -1.349 98 HB3 SER 10 HB1 SER 10 -9.457 -11.268 -1.313 99 H GLU 11 HN GLU 11 -11.497 -7.895 -0.348 100 HA GLU 11 HA GLU 11 -11.522 -6.912 -2.980 101 HB2 GLU 11 HB2 GLU 11 -13.277 -6.842 -0.908 102 HB3 GLU 11 HB1 GLU 11 -12.703 -5.180 -0.895 103 HG2 GLU 11 HG2 GLU 11 -13.292 -5.006 -3.292 104 HG3 GLU 11 HG1 GLU 11 -13.973 -6.629 -3.205 105 H GLN 12 HN GLN 12 -10.302 -5.520 0.044 106 HA GLN 12 HA GLN 12 -9.416 -3.076 -1.094 107 HB2 GLN 12 HB2 GLN 12 -8.641 -4.547 1.428 108 HB3 GLN 12 HB1 GLN 12 -7.973 -2.979 0.997 109 HG2 GLN 12 HG2 GLN 12 -10.041 -1.910 1.224 110 HG3 GLN 12 HG1 GLN 12 -10.928 -3.434 1.200 111 HE21 GLN 12 HE21 GLN 12 -11.100 -1.353 3.162 112 HE22 GLN 12 HE22 GLN 12 -10.620 -2.038 4.673 113 H LEU 13 HN LEU 13 -7.984 -6.239 -0.670 114 HA LEU 13 HA LEU 13 -5.313 -5.593 -1.267 115 HG LEU 13 HG LEU 13 -5.402 -8.920 0.281 116 HB2 LEU 13 HB2 LEU 13 -6.969 -8.050 -1.201 117 HB3 LEU 13 HB1 LEU 13 -5.504 -8.131 -2.158 118 HD11 LEU 13 HD11 LEU 13 -3.412 -8.713 -0.981 119 HD12 LEU 13 HD12 LEU 13 -3.128 -7.908 0.563 120 HD13 LEU 13 HD13 LEU 13 -3.454 -6.952 -0.883 121 HD21 LEU 13 HD21 LEU 13 -6.529 -7.135 1.390 122 HD22 LEU 13 HD22 LEU 13 -5.449 -5.935 0.683 123 HD23 LEU 13 HD23 LEU 13 -4.837 -7.079 1.876 124 H ALA 14 HN ALA 14 -7.969 -6.748 -3.322 125 HA ALA 14 HA ALA 14 -6.536 -6.788 -5.740 126 HB1 ALA 14 HB1 ALA 14 -9.489 -6.268 -5.440 127 HB2 ALA 14 HB2 ALA 14 -8.757 -7.868 -5.321 128 HB3 ALA 14 HB3 ALA 14 -8.654 -6.961 -6.830 129 H ARG 15 HN ARG 15 -8.434 -4.259 -4.156 130 HA ARG 15 HA ARG 15 -8.323 -2.367 -6.240 131 HE ARG 15 HE ARG 15 -12.005 0.346 -4.408 132 HB2 ARG 15 HB2 ARG 15 -9.632 -2.464 -3.900 133 HB3 ARG 15 HB1 ARG 15 -8.309 -1.406 -3.428 134 HG2 ARG 15 HG2 ARG 15 -9.848 0.130 -4.113 135 HG3 ARG 15 HG1 ARG 15 -8.965 -0.127 -5.620 136 HD2 ARG 15 HD2 ARG 15 -10.737 -1.044 -6.635 137 HD3 ARG 15 HD1 ARG 15 -11.170 -2.001 -5.219 138 HH11 ARG 15 HH11 ARG 15 -12.319 -1.056 -7.595 139 HH12 ARG 15 HH12 ARG 15 -13.773 -0.191 -7.963 140 HH21 ARG 15 HH21 ARG 15 -13.918 1.473 -4.895 141 HH22 ARG 15 HH22 ARG 15 -14.682 1.241 -6.433 142 H LEU 16 HN LEU 16 -6.277 -2.828 -3.374 143 HA LEU 16 HA LEU 16 -4.516 -0.692 -3.885 144 HG LEU 16 HG LEU 16 -5.692 -1.302 -1.471 145 HB2 LEU 16 HB2 LEU 16 -4.203 -3.247 -2.321 146 HB3 LEU 16 HB1 LEU 16 -2.937 -2.037 -2.407 147 HD11 LEU 16 HD11 LEU 16 -5.172 -1.845 0.759 148 HD12 LEU 16 HD12 LEU 16 -3.489 -2.193 0.366 149 HD13 LEU 16 HD13 LEU 16 -4.765 -3.279 -0.184 150 HD21 LEU 16 HD21 LEU 16 -4.776 0.685 -1.068 151 HD22 LEU 16 HD22 LEU 16 -3.354 0.132 -1.951 152 HD23 LEU 16 HD23 LEU 16 -3.425 -0.042 -0.198 153 H LYS 17 HN LYS 17 -4.352 -4.133 -4.729 154 HA LYS 17 HA LYS 17 -1.816 -4.065 -5.945 155 HB2 LYS 17 HB2 LYS 17 -3.754 -5.999 -5.426 156 HB3 LYS 17 HB1 LYS 17 -3.630 -5.974 -7.179 157 HG2 LYS 17 HG2 LYS 17 -1.945 -7.403 -6.878 158 HG3 LYS 17 HG1 LYS 17 -1.008 -5.972 -6.447 159 HD2 LYS 17 HD2 LYS 17 -0.590 -7.295 -4.623 160 HD3 LYS 17 HD1 LYS 17 -2.025 -6.436 -4.062 161 HE2 LYS 17 HE2 LYS 17 -3.421 -8.276 -4.465 162 HE3 LYS 17 HE1 LYS 17 -2.225 -9.069 -5.488 163 HZ1 LYS 17 HZ1 LYS 17 -1.172 -8.645 -2.894 164 HZ2 LYS 17 HZ2 LYS 17 -1.392 -10.100 -3.729 165 HZ3 LYS 17 HZ3 LYS 17 -2.647 -9.469 -2.786 166 H ARG 18 HN ARG 18 -5.061 -3.487 -7.197 167 HA ARG 18 HA ARG 18 -4.418 -3.375 -9.928 168 HE ARG 18 HE ARG 18 -8.396 -1.014 -12.784 169 HB2 ARG 18 HB2 ARG 18 -6.730 -3.401 -8.740 170 HB3 ARG 18 HB1 ARG 18 -6.549 -1.652 -8.698 171 HG2 ARG 18 HG2 ARG 18 -5.977 -2.632 -11.332 172 HG3 ARG 18 HG1 ARG 18 -7.547 -3.227 -10.787 173 HD2 ARG 18 HD2 ARG 18 -7.730 -0.664 -10.001 174 HD3 ARG 18 HD1 ARG 18 -6.655 -0.473 -11.384 175 HH11 ARG 18 HH11 ARG 18 -9.299 -1.730 -9.488 176 HH12 ARG 18 HH12 ARG 18 -10.963 -2.011 -9.875 177 HH21 ARG 18 HH21 ARG 18 -10.584 -1.386 -13.292 178 HH22 ARG 18 HH22 ARG 18 -11.692 -1.818 -12.033 179 H GLU 19 HN GLU 19 -4.609 -0.820 -7.472 180 HA GLU 19 HA GLU 19 -3.849 1.278 -9.231 181 HB2 GLU 19 HB2 GLU 19 -3.617 1.169 -6.218 182 HB3 GLU 19 HB1 GLU 19 -3.578 2.619 -7.211 183 HG2 GLU 19 HG2 GLU 19 -5.935 0.760 -7.119 184 HG3 GLU 19 HG1 GLU 19 -5.746 2.138 -6.035 185 H PHE 20 HN PHE 20 -2.096 -0.990 -7.241 186 HA PHE 20 HA PHE 20 0.399 0.307 -7.191 187 HD1 PHE 20 HD2 PHE 20 1.994 -0.366 -5.188 188 HD2 PHE 20 HD1 PHE 20 1.765 -3.736 -7.777 189 HE1 PHE 20 HE2 PHE 20 4.397 -0.778 -4.857 190 HE2 PHE 20 HE1 PHE 20 4.167 -4.155 -7.450 191 HZ PHE 20 HZ PHE 20 5.486 -2.675 -5.989 192 HB2 PHE 20 HB2 PHE 20 -0.189 -1.595 -5.733 193 HB3 PHE 20 HB1 PHE 20 -0.186 -2.662 -7.133 194 H ASN 21 HN ASN 21 -0.992 -2.038 -9.457 195 HA ASN 21 HA ASN 21 1.285 -2.347 -11.075 196 HB2 ASN 21 HB2 ASN 21 -1.519 -3.101 -11.175 197 HB3 ASN 21 HB1 ASN 21 -0.908 -2.673 -12.770 198 HD21 ASN 21 HD21 ASN 21 -0.908 -4.712 -13.596 199 HD22 ASN 21 HD22 ASN 21 0.144 -5.965 -13.044 200 H GLU 22 HN GLU 22 -1.111 0.162 -10.902 201 HA GLU 22 HA GLU 22 -0.419 1.305 -13.464 202 HB2 GLU 22 HB2 GLU 22 -2.073 2.503 -11.236 203 HB3 GLU 22 HB1 GLU 22 -2.005 3.055 -12.904 204 HG2 GLU 22 HG2 GLU 22 -2.819 0.643 -13.445 205 HG3 GLU 22 HG1 GLU 22 -3.330 0.643 -11.758 206 H ASN 23 HN ASN 23 0.317 1.855 -10.076 207 HA ASN 23 HA ASN 23 2.634 3.409 -10.798 208 HB2 ASN 23 HB2 ASN 23 0.196 4.739 -10.067 209 HB3 ASN 23 HB1 ASN 23 1.404 5.018 -8.819 210 HD21 ASN 23 HD21 ASN 23 1.465 7.213 -9.411 211 HD22 ASN 23 HD22 ASN 23 2.315 7.737 -10.821 212 H ARG 24 HN ARG 24 4.212 2.732 -9.523 213 HA ARG 24 HA ARG 24 3.698 1.146 -7.208 214 HE ARG 24 HE ARG 24 8.125 0.736 -8.582 215 HB2 ARG 24 HB2 ARG 24 5.888 1.635 -8.943 216 HB3 ARG 24 HB1 ARG 24 6.430 1.988 -7.307 217 HG2 ARG 24 HG2 ARG 24 6.428 -0.166 -6.715 218 HG3 ARG 24 HG1 ARG 24 4.898 -0.488 -7.530 219 HD2 ARG 24 HD2 ARG 24 6.729 -1.769 -8.522 220 HD3 ARG 24 HD1 ARG 24 6.047 -0.619 -9.671 221 HH11 ARG 24 HH11 ARG 24 7.829 -2.398 -10.089 222 HH12 ARG 24 HH12 ARG 24 9.447 -2.393 -10.706 223 HH21 ARG 24 HH21 ARG 24 10.253 0.745 -9.393 224 HH22 ARG 24 HH22 ARG 24 10.823 -0.609 -10.311 225 H TYR 25 HN TYR 25 3.669 4.448 -7.607 226 HA TYR 25 HA TYR 25 4.582 4.941 -4.856 227 HD1 TYR 25 HD1 TYR 25 5.960 4.650 -7.836 228 HD2 TYR 25 HD2 TYR 25 6.874 7.907 -5.255 229 HE1 TYR 25 HE1 TYR 25 8.358 4.280 -8.228 230 HE2 TYR 25 HE2 TYR 25 9.275 7.547 -5.642 231 HH TYR 25 HH TYR 25 10.696 5.272 -6.404 232 HB2 TYR 25 HB2 TYR 25 4.321 6.806 -7.219 233 HB3 TYR 25 HB1 TYR 25 4.669 7.353 -5.583 234 H LEU 26 HN LEU 26 3.360 7.129 -4.082 235 HA LEU 26 HA LEU 26 0.518 6.964 -4.681 236 HG LEU 26 HG LEU 26 0.536 4.340 -3.066 237 HB2 LEU 26 HB2 LEU 26 1.763 6.095 -2.146 238 HB3 LEU 26 HB1 LEU 26 0.360 7.126 -1.980 239 HD11 LEU 26 HD11 LEU 26 0.003 4.723 -0.708 240 HD12 LEU 26 HD12 LEU 26 -1.366 4.023 -1.573 241 HD13 LEU 26 HD13 LEU 26 -1.357 5.744 -1.182 242 HD21 LEU 26 HD21 LEU 26 -0.670 5.861 -4.736 243 HD22 LEU 26 HD22 LEU 26 -1.891 6.056 -3.481 244 HD23 LEU 26 HD23 LEU 26 -1.548 4.458 -4.136 245 H THR 27 HN THR 27 -0.388 8.906 -4.727 246 HA THR 27 HA THR 27 1.168 11.193 -3.786 247 HB THR 27 HB THR 27 -0.149 12.539 -5.202 248 HG1 THR 27 HG1 THR 27 -1.998 10.450 -5.631 249 HG21 THR 27 HG21 THR 27 -0.509 11.047 -7.334 250 HG22 THR 27 HG22 THR 27 0.465 9.901 -6.414 251 HG23 THR 27 HG23 THR 27 1.105 11.500 -6.789 252 H GLU 28 HN GLU 28 -0.130 13.012 -2.767 253 HA GLU 28 HA GLU 28 -1.267 12.167 -0.366 254 HB2 GLU 28 HB2 GLU 28 -1.036 14.729 -1.822 255 HB3 GLU 28 HB1 GLU 28 -2.346 14.647 -0.653 256 HG2 GLU 28 HG2 GLU 28 0.033 13.584 0.517 257 HG3 GLU 28 HG1 GLU 28 0.375 15.165 -0.184 258 H ARG 29 HN ARG 29 -2.815 13.319 -3.336 259 HA ARG 29 HA ARG 29 -5.472 13.110 -2.498 260 HE ARG 29 HE ARG 29 -5.567 16.148 -2.432 261 HB2 ARG 29 HB2 ARG 29 -4.388 12.734 -5.293 262 HB3 ARG 29 HB1 ARG 29 -6.048 13.126 -4.868 263 HG2 ARG 29 HG2 ARG 29 -3.959 14.958 -3.868 264 HG3 ARG 29 HG1 ARG 29 -4.256 14.958 -5.607 265 HD2 ARG 29 HD2 ARG 29 -5.732 16.570 -4.846 266 HD3 ARG 29 HD1 ARG 29 -6.746 15.133 -4.939 267 HH11 ARG 29 HH11 ARG 29 -8.202 14.645 -4.179 268 HH12 ARG 29 HH12 ARG 29 -9.201 14.496 -2.776 269 HH21 ARG 29 HH21 ARG 29 -6.888 15.945 -0.598 270 HH22 ARG 29 HH22 ARG 29 -8.459 15.231 -0.747 271 H ARG 30 HN ARG 30 -3.309 10.699 -3.947 272 HA ARG 30 HA ARG 30 -5.310 8.728 -4.322 273 HE ARG 30 HE ARG 30 -3.233 6.988 -8.341 274 HB2 ARG 30 HB2 ARG 30 -2.392 8.896 -4.543 275 HB3 ARG 30 HB1 ARG 30 -2.973 7.314 -4.052 276 HG2 ARG 30 HG2 ARG 30 -3.685 6.833 -6.095 277 HG3 ARG 30 HG1 ARG 30 -4.526 8.377 -6.245 278 HD2 ARG 30 HD2 ARG 30 -2.697 9.432 -7.176 279 HD3 ARG 30 HD1 ARG 30 -1.550 8.291 -6.474 280 HH11 ARG 30 HH11 ARG 30 -0.523 9.180 -8.157 281 HH12 ARG 30 HH12 ARG 30 0.109 8.727 -9.704 282 HH21 ARG 30 HH21 ARG 30 -2.402 6.390 -10.375 283 HH22 ARG 30 HH22 ARG 30 -0.958 7.143 -10.963 284 H ARG 31 HN ARG 31 -2.931 9.274 -1.740 285 HA ARG 31 HA ARG 31 -3.506 7.021 -0.204 286 HE ARG 31 HE ARG 31 1.053 7.908 -0.283 287 HB2 ARG 31 HB2 ARG 31 -2.220 9.636 0.251 288 HB3 ARG 31 HB1 ARG 31 -2.871 8.876 1.696 289 HG2 ARG 31 HG2 ARG 31 -1.502 6.964 1.419 290 HG3 ARG 31 HG1 ARG 31 -1.031 7.457 -0.209 291 HD2 ARG 31 HD2 ARG 31 -0.386 9.576 1.565 292 HD3 ARG 31 HD1 ARG 31 0.214 8.076 2.274 293 HH11 ARG 31 HH11 ARG 31 1.330 10.406 2.137 294 HH12 ARG 31 HH12 ARG 31 2.832 11.009 1.522 295 HH21 ARG 31 HH21 ARG 31 3.027 8.700 -1.094 296 HH22 ARG 31 HH22 ARG 31 3.795 10.041 -0.312 297 H GLN 32 HN GLN 32 -4.893 10.288 -0.026 298 HA GLN 32 HA GLN 32 -6.695 9.712 2.078 299 HB2 GLN 32 HB2 GLN 32 -5.937 11.997 1.412 300 HB3 GLN 32 HB1 GLN 32 -6.946 11.867 -0.022 301 HG2 GLN 32 HG2 GLN 32 -8.744 11.285 1.908 302 HG3 GLN 32 HG1 GLN 32 -7.681 12.399 2.768 303 HE21 GLN 32 HE21 GLN 32 -9.806 12.010 0.019 304 HE22 GLN 32 HE22 GLN 32 -10.074 13.694 -0.258 305 H GLN 33 HN GLN 33 -6.963 9.522 -1.432 306 HA GLN 33 HA GLN 33 -9.767 9.155 -1.527 307 HB2 GLN 33 HB2 GLN 33 -7.528 9.021 -3.394 308 HB3 GLN 33 HB1 GLN 33 -8.769 7.827 -3.745 309 HG2 GLN 33 HG2 GLN 33 -9.831 10.484 -3.180 310 HG3 GLN 33 HG1 GLN 33 -8.771 10.423 -4.588 311 HE21 GLN 33 HE21 GLN 33 -10.151 10.529 -6.240 312 HE22 GLN 33 HE22 GLN 33 -11.463 9.439 -6.514 313 H LEU 34 HN LEU 34 -7.088 6.820 -1.732 314 HA LEU 34 HA LEU 34 -8.721 4.524 -1.770 315 HG LEU 34 HG LEU 34 -7.308 4.080 -3.442 316 HB2 LEU 34 HB2 LEU 34 -5.845 5.078 -1.243 317 HB3 LEU 34 HB1 LEU 34 -6.477 3.521 -0.745 318 HD11 LEU 34 HD11 LEU 34 -5.227 5.512 -3.336 319 HD12 LEU 34 HD12 LEU 34 -5.257 4.268 -4.586 320 HD13 LEU 34 HD13 LEU 34 -4.322 4.014 -3.111 321 HD21 LEU 34 HD21 LEU 34 -7.205 1.864 -3.299 322 HD22 LEU 34 HD22 LEU 34 -6.208 1.938 -1.847 323 HD23 LEU 34 HD23 LEU 34 -5.452 2.000 -3.440 324 H SER 35 HN SER 35 -7.278 6.377 0.849 325 HA SER 35 HA SER 35 -7.814 4.613 2.960 326 HG SER 35 HG SER 35 -8.567 8.232 3.403 327 HB2 SER 35 HB2 SER 35 -7.586 6.586 4.416 328 HB3 SER 35 HB1 SER 35 -6.323 6.558 3.186 329 H SER 36 HN SER 36 -9.690 7.345 1.700 330 HA SER 36 HA SER 36 -11.891 6.971 3.460 331 HG SER 36 HG SER 36 -13.899 8.190 2.324 332 HB2 SER 36 HB2 SER 36 -11.215 9.079 2.115 333 HB3 SER 36 HB1 SER 36 -12.107 8.335 0.788 334 H GLU 37 HN GLU 37 -11.255 5.986 0.123 335 HA GLU 37 HA GLU 37 -13.790 4.926 -0.443 336 HB2 GLU 37 HB2 GLU 37 -11.897 5.433 -2.065 337 HB3 GLU 37 HB1 GLU 37 -11.200 3.892 -1.585 338 HG2 GLU 37 HG2 GLU 37 -13.801 3.238 -2.194 339 HG3 GLU 37 HG1 GLU 37 -13.398 4.466 -3.393 340 H LEU 38 HN LEU 38 -10.826 3.241 0.616 341 HA LEU 38 HA LEU 38 -12.300 0.782 1.001 342 HG LEU 38 HG LEU 38 -9.971 1.202 -0.922 343 HB2 LEU 38 HB2 LEU 38 -9.419 1.540 1.427 344 HB3 LEU 38 HB1 LEU 38 -10.053 -0.045 1.827 345 HD11 LEU 38 HD11 LEU 38 -7.901 0.391 -0.952 346 HD12 LEU 38 HD12 LEU 38 -8.622 -1.219 -0.927 347 HD13 LEU 38 HD13 LEU 38 -8.129 -0.451 0.581 348 HD21 LEU 38 HD21 LEU 38 -10.559 -1.436 -1.272 349 HD22 LEU 38 HD22 LEU 38 -11.737 -0.124 -1.306 350 HD23 LEU 38 HD23 LEU 38 -11.491 -1.050 0.175 351 H GLY 39 HN GLY 39 -11.636 3.524 2.871 352 HA2 GLY 39 HA2 GLY 39 -12.266 3.989 5.044 353 HA3 GLY 39 HA1 GLY 39 -12.846 2.336 5.186 354 H LEU 40 HN LEU 40 -9.582 3.035 4.182 355 HA LEU 40 HA LEU 40 -8.623 1.922 6.733 356 HG LEU 40 HG LEU 40 -9.084 0.044 4.699 357 HB2 LEU 40 HB2 LEU 40 -7.459 1.877 3.957 358 HB3 LEU 40 HB1 LEU 40 -6.517 1.459 5.376 359 HD11 LEU 40 HD11 LEU 40 -6.327 -0.386 3.632 360 HD12 LEU 40 HD12 LEU 40 -7.877 -0.446 2.792 361 HD13 LEU 40 HD13 LEU 40 -7.408 -1.757 3.874 362 HD21 LEU 40 HD21 LEU 40 -8.700 -1.015 6.609 363 HD22 LEU 40 HD22 LEU 40 -7.251 -0.045 6.871 364 HD23 LEU 40 HD23 LEU 40 -7.143 -1.570 5.992 365 H ASN 41 HN ASN 41 -6.400 2.689 7.375 366 HA ASN 41 HA ASN 41 -6.413 5.579 7.410 367 HB2 ASN 41 HB2 ASN 41 -5.722 3.733 9.271 368 HB3 ASN 41 HB1 ASN 41 -4.135 4.139 8.625 369 HD21 ASN 41 HD21 ASN 41 -5.100 4.664 11.255 370 HD22 ASN 41 HD22 ASN 41 -5.095 6.378 11.472 371 H GLU 42 HN GLU 42 -4.899 6.940 6.540 372 HA GLU 42 HA GLU 42 -3.706 6.305 4.130 373 HB2 GLU 42 HB2 GLU 42 -3.318 8.505 6.111 374 HB3 GLU 42 HB1 GLU 42 -2.177 8.360 4.781 375 HG2 GLU 42 HG2 GLU 42 -4.141 8.397 3.222 376 HG3 GLU 42 HG1 GLU 42 -5.145 8.799 4.615 377 H ALA 43 HN ALA 43 -2.339 6.177 7.380 378 HA ALA 43 HA ALA 43 0.331 5.672 6.629 379 HB1 ALA 43 HB1 ALA 43 -1.106 4.853 9.153 380 HB2 ALA 43 HB2 ALA 43 -0.298 6.396 8.879 381 HB3 ALA 43 HB3 ALA 43 0.642 4.905 8.924 382 H GLN 44 HN GLN 44 -2.457 3.585 7.051 383 HA GLN 44 HA GLN 44 -1.026 1.128 6.994 384 HB2 GLN 44 HB2 GLN 44 -3.823 1.986 7.013 385 HB3 GLN 44 HB1 GLN 44 -3.557 0.539 6.051 386 HG2 GLN 44 HG2 GLN 44 -3.840 -0.513 8.003 387 HG3 GLN 44 HG1 GLN 44 -2.150 -0.084 8.264 388 HE21 GLN 44 HE21 GLN 44 -5.370 1.370 8.623 389 HE22 GLN 44 HE22 GLN 44 -5.065 2.079 10.168 390 H ILE 45 HN ILE 45 -2.714 3.043 4.535 391 HA ILE 45 HA ILE 45 -2.280 1.248 2.394 392 HB ILE 45 HB ILE 45 -2.597 4.248 2.209 393 HG12 ILE 45 HG12 ILE 45 -4.827 2.246 1.942 394 HG13 ILE 45 HG11 ILE 45 -4.382 2.896 3.518 395 HG21 ILE 45 HG21 ILE 45 -1.917 2.564 0.224 396 HG22 ILE 45 HG22 ILE 45 -2.881 4.020 -0.017 397 HG23 ILE 45 HG23 ILE 45 -3.674 2.453 0.135 398 HD11 ILE 45 HD11 ILE 45 -4.611 5.147 1.962 399 HD12 ILE 45 HD12 ILE 45 -5.829 4.520 3.073 400 HD13 ILE 45 HD13 ILE 45 -5.900 4.103 1.360 401 H LYS 46 HN LYS 46 -0.462 4.013 3.635 402 HA LYS 46 HA LYS 46 1.492 4.161 1.642 403 HB2 LYS 46 HB2 LYS 46 0.966 5.648 3.790 404 HB3 LYS 46 HB1 LYS 46 2.272 4.686 4.470 405 HG2 LYS 46 HG2 LYS 46 3.774 5.425 2.730 406 HG3 LYS 46 HG1 LYS 46 2.466 6.306 1.939 407 HD2 LYS 46 HD2 LYS 46 3.089 8.082 3.137 408 HD3 LYS 46 HD1 LYS 46 2.436 7.249 4.549 409 HE2 LYS 46 HE2 LYS 46 4.614 7.817 5.177 410 HE3 LYS 46 HE1 LYS 46 4.727 6.120 4.712 411 HZ1 LYS 46 HZ1 LYS 46 6.536 7.525 3.821 412 HZ2 LYS 46 HZ2 LYS 46 5.397 8.386 2.915 413 HZ3 LYS 46 HZ3 LYS 46 5.648 6.741 2.612 414 H ILE 47 HN ILE 47 1.428 2.303 4.672 415 HA ILE 47 HA ILE 47 3.997 1.171 4.401 416 HB ILE 47 HB ILE 47 1.590 0.064 5.854 417 HG12 ILE 47 HG12 ILE 47 3.911 1.418 7.171 418 HG13 ILE 47 HG11 ILE 47 2.660 2.403 6.423 419 HG21 ILE 47 HG21 ILE 47 3.171 -1.702 5.510 420 HG22 ILE 47 HG22 ILE 47 3.294 -1.172 7.188 421 HG23 ILE 47 HG23 ILE 47 4.509 -0.668 6.013 422 HD11 ILE 47 HD11 ILE 47 1.023 1.011 7.830 423 HD12 ILE 47 HD12 ILE 47 1.992 2.246 8.633 424 HD13 ILE 47 HD13 ILE 47 2.451 0.548 8.754 425 H TRP 48 HN TRP 48 0.806 0.113 3.306 426 HA TRP 48 HA TRP 48 1.528 -2.449 2.419 427 HD1 TRP 48 HD1 TRP 48 -1.251 -4.264 1.954 428 HE1 TRP 48 HE1 TRP 48 -1.708 -5.423 -0.297 429 HE3 TRP 48 HE3 TRP 48 0.049 -0.455 -1.200 430 HZ2 TRP 48 HZ2 TRP 48 -1.538 -4.807 -3.045 431 HZ3 TRP 48 HZ3 TRP 48 -0.128 -0.823 -3.628 432 HH2 TRP 48 HH2 TRP 48 -0.904 -2.956 -4.528 433 HB2 TRP 48 HB2 TRP 48 -0.808 -1.770 2.644 434 HB3 TRP 48 HB1 TRP 48 -0.608 -0.584 1.357 435 H PHE 49 HN PHE 49 1.464 0.665 0.720 436 HA PHE 49 HA PHE 49 2.327 -0.345 -1.777 437 HD1 PHE 49 HD2 PHE 49 2.668 1.623 -4.086 438 HD2 PHE 49 HD1 PHE 49 -0.385 2.059 -1.155 439 HE1 PHE 49 HE2 PHE 49 0.977 1.733 -5.869 440 HE2 PHE 49 HE1 PHE 49 -2.082 2.169 -2.934 441 HZ PHE 49 HZ PHE 49 -1.401 2.007 -5.295 442 HB2 PHE 49 HB2 PHE 49 1.903 2.293 -0.556 443 HB3 PHE 49 HB1 PHE 49 3.178 2.266 -1.768 444 H GLN 50 HN GLN 50 4.042 1.027 0.992 445 HA GLN 50 HA GLN 50 6.606 1.086 -0.170 446 HB2 GLN 50 HB2 GLN 50 5.529 1.889 2.219 447 HB3 GLN 50 HB1 GLN 50 6.521 0.525 2.714 448 HG2 GLN 50 HG2 GLN 50 8.308 1.817 2.661 449 HG3 GLN 50 HG1 GLN 50 8.066 2.077 0.934 450 HE21 GLN 50 HE21 GLN 50 6.111 3.113 3.691 451 HE22 GLN 50 HE22 GLN 50 6.245 4.806 3.377 452 H ASN 51 HN ASN 51 4.886 -1.403 1.650 453 HA ASN 51 HA ASN 51 7.079 -3.220 1.742 454 HB2 ASN 51 HB2 ASN 51 4.317 -3.157 2.636 455 HB3 ASN 51 HB1 ASN 51 4.733 -4.729 1.956 456 HD21 ASN 51 HD21 ASN 51 5.894 -2.281 4.229 457 HD22 ASN 51 HD22 ASN 51 6.605 -3.397 5.339 458 H LYS 52 HN LYS 52 4.397 -2.683 -0.464 459 HA LYS 52 HA LYS 52 4.789 -5.053 -1.990 460 HB2 LYS 52 HB2 LYS 52 2.878 -3.024 -1.887 461 HB3 LYS 52 HB1 LYS 52 3.590 -2.873 -3.487 462 HG2 LYS 52 HG2 LYS 52 1.686 -4.313 -3.619 463 HG3 LYS 52 HG1 LYS 52 3.143 -5.278 -3.865 464 HD2 LYS 52 HD2 LYS 52 2.919 -5.575 -1.233 465 HD3 LYS 52 HD1 LYS 52 1.222 -5.269 -1.601 466 HE2 LYS 52 HE2 LYS 52 0.964 -7.334 -2.382 467 HE3 LYS 52 HE1 LYS 52 2.318 -7.132 -3.491 468 HZ1 LYS 52 HZ1 LYS 52 3.045 -7.561 -0.720 469 HZ2 LYS 52 HZ2 LYS 52 3.703 -8.226 -2.129 470 HZ3 LYS 52 HZ3 LYS 52 2.287 -8.875 -1.471 471 H ARG 53 HN ARG 53 5.857 -1.687 -2.373 472 HA ARG 53 HA ARG 53 7.137 -2.143 -4.875 473 HE ARG 53 HE ARG 53 9.227 2.107 -1.420 474 HB2 ARG 53 HB2 ARG 53 8.136 0.059 -4.564 475 HB3 ARG 53 HB1 ARG 53 6.422 0.095 -4.184 476 HG2 ARG 53 HG2 ARG 53 7.075 -0.136 -1.760 477 HG3 ARG 53 HG1 ARG 53 8.739 0.151 -2.274 478 HD2 ARG 53 HD2 ARG 53 7.230 2.152 -3.506 479 HD3 ARG 53 HD1 ARG 53 6.589 2.035 -1.869 480 HH11 ARG 53 HH11 ARG 53 7.174 4.094 -3.428 481 HH12 ARG 53 HH12 ARG 53 8.166 5.503 -3.261 482 HH21 ARG 53 HH21 ARG 53 10.529 3.962 -1.200 483 HH22 ARG 53 HH22 ARG 53 10.069 5.429 -1.997 484 H ALA 54 HN ALA 54 8.093 -2.497 -1.549 485 HA ALA 54 HA ALA 54 10.901 -2.592 -1.988 486 HB1 ALA 54 HB1 ALA 54 9.064 -3.122 0.249 487 HB2 ALA 54 HB2 ALA 54 10.598 -2.254 0.219 488 HB3 ALA 54 HB3 ALA 54 10.584 -4.016 0.287 489 H LYS 55 HN LYS 55 8.321 -4.953 -2.112 490 HA LYS 55 HA LYS 55 10.081 -7.224 -2.232 491 HB2 LYS 55 HB2 LYS 55 7.179 -6.750 -2.218 492 HB3 LYS 55 HB1 LYS 55 7.681 -8.128 -3.188 493 HG2 LYS 55 HG2 LYS 55 7.860 -9.354 -1.359 494 HG3 LYS 55 HG1 LYS 55 9.084 -8.250 -0.731 495 HD2 LYS 55 HD2 LYS 55 7.264 -8.457 0.856 496 HD3 LYS 55 HD1 LYS 55 7.294 -6.825 0.186 497 HE2 LYS 55 HE2 LYS 55 5.212 -7.044 -0.561 498 HE3 LYS 55 HE1 LYS 55 5.641 -8.510 -1.442 499 HZ1 LYS 55 HZ1 LYS 55 4.010 -9.202 0.029 500 HZ2 LYS 55 HZ2 LYS 55 4.588 -8.251 1.302 501 HZ3 LYS 55 HZ3 LYS 55 5.434 -9.637 0.830 502 H ILE 56 HN ILE 56 7.995 -5.539 -4.578 503 HA ILE 56 HA ILE 56 8.581 -7.072 -6.817 504 HB ILE 56 HB ILE 56 6.808 -5.372 -6.770 505 HG12 ILE 56 HG12 ILE 56 8.369 -4.311 -9.008 506 HG13 ILE 56 HG11 ILE 56 8.415 -6.068 -8.908 507 HG21 ILE 56 HG21 ILE 56 7.251 -3.037 -6.920 508 HG22 ILE 56 HG22 ILE 56 8.985 -3.317 -7.078 509 HG23 ILE 56 HG23 ILE 56 8.173 -3.666 -5.553 510 HD11 ILE 56 HD11 ILE 56 6.327 -4.354 -9.850 511 HD12 ILE 56 HD12 ILE 56 5.740 -5.356 -8.522 512 HD13 ILE 56 HD13 ILE 56 6.465 -6.109 -9.943 513 H LYS 57 HN LYS 57 10.506 -4.669 -5.209 514 HA LYS 57 HA LYS 57 12.244 -3.904 -7.240 515 HB2 LYS 57 HB2 LYS 57 12.035 -3.413 -4.542 516 HB3 LYS 57 HB1 LYS 57 13.545 -4.308 -4.643 517 HG2 LYS 57 HG2 LYS 57 14.607 -2.663 -5.803 518 HG3 LYS 57 HG1 LYS 57 13.122 -2.088 -6.564 519 HD2 LYS 57 HD2 LYS 57 12.417 -1.068 -4.476 520 HD3 LYS 57 HD1 LYS 57 13.847 -1.704 -3.660 521 HE2 LYS 57 HE2 LYS 57 13.971 0.715 -4.350 522 HE3 LYS 57 HE1 LYS 57 15.294 -0.307 -4.910 523 HZ1 LYS 57 HZ1 LYS 57 13.002 -0.028 -6.691 524 HZ2 LYS 57 HZ2 LYS 57 14.652 -0.121 -7.055 525 HZ3 LYS 57 HZ3 LYS 57 13.989 1.335 -6.506 526 H LYS 58 HN LYS 58 14.208 -4.679 -7.990 527 HA LYS 58 HA LYS 58 14.486 -7.534 -7.979 528 HB2 LYS 58 HB2 LYS 58 15.727 -5.255 -9.402 529 HB3 LYS 58 HB1 LYS 58 16.728 -6.690 -9.229 530 HG2 LYS 58 HG2 LYS 58 14.103 -7.453 -10.071 531 HG3 LYS 58 HG1 LYS 58 14.727 -6.192 -11.136 532 HD2 LYS 58 HD2 LYS 58 16.319 -8.635 -10.384 533 HD3 LYS 58 HD1 LYS 58 15.261 -8.577 -11.796 534 HE2 LYS 58 HE2 LYS 58 16.578 -6.450 -12.418 535 HE3 LYS 58 HE1 LYS 58 17.766 -7.023 -11.249 536 HZ1 LYS 58 HZ1 LYS 58 18.579 -8.337 -12.814 537 HZ2 LYS 58 HZ2 LYS 58 17.385 -7.851 -13.908 538 HZ3 LYS 58 HZ3 LYS 58 17.111 -9.174 -12.891 539 H SER 59 HN SER 59 16.436 -4.820 -6.771 540 HA SER 59 HA SER 59 17.569 -6.580 -4.747 541 HG SER 59 HG SER 59 18.713 -5.782 -7.928 542 HB2 SER 59 HB2 SER 59 19.859 -5.357 -5.380 543 HB3 SER 59 HB1 SER 59 19.376 -6.879 -6.129 Start of MODEL 22 1 HA MET -1 HA MET -1 -5.490 -13.605 26.425 2 H1 MET -1 HT1 MET -1 -5.235 -15.576 27.454 3 H2 MET -1 HT2 MET -1 -5.100 -16.463 25.991 4 H3 MET -1 HT3 MET -1 -6.628 -15.865 26.498 5 HB2 MET -1 HB2 MET -1 -3.668 -15.430 24.887 6 HB3 MET -1 HB1 MET -1 -3.830 -13.744 24.414 7 HG2 MET -1 HG2 MET -1 -2.419 -13.120 25.993 8 HG3 MET -1 HG1 MET -1 -3.408 -13.888 27.233 9 HE1 MET -1 HE1 MET -1 -2.025 -17.484 27.371 10 HE2 MET -1 HE2 MET -1 -2.955 -17.154 25.909 11 HE3 MET -1 HE3 MET -1 -3.468 -16.473 27.452 12 H ASP 0 HN ASP 0 -5.992 -12.313 24.517 13 HA ASP 0 HA ASP 0 -7.476 -13.679 22.408 14 HB2 ASP 0 HB2 ASP 0 -8.658 -11.852 24.448 15 HB3 ASP 0 HB1 ASP 0 -9.247 -11.732 22.792 16 H GLU 1 HN GLU 1 -7.817 -12.396 20.525 17 HA GLU 1 HA GLU 1 -6.873 -9.716 20.330 18 HB2 GLU 1 HB2 GLU 1 -4.947 -11.840 19.994 19 HB3 GLU 1 HB1 GLU 1 -5.132 -10.943 18.493 20 HG2 GLU 1 HG2 GLU 1 -4.504 -8.912 19.516 21 HG3 GLU 1 HG1 GLU 1 -4.644 -9.601 21.133 22 H LYS 2 HN LYS 2 -7.271 -8.788 18.287 23 HA LYS 2 HA LYS 2 -8.611 -10.519 16.331 24 HB2 LYS 2 HB2 LYS 2 -9.857 -8.530 17.973 25 HB3 LYS 2 HB1 LYS 2 -9.935 -8.014 16.294 26 HG2 LYS 2 HG2 LYS 2 -10.744 -10.484 15.911 27 HG3 LYS 2 HG1 LYS 2 -11.175 -10.369 17.618 28 HD2 LYS 2 HD2 LYS 2 -12.898 -8.989 17.208 29 HD3 LYS 2 HD1 LYS 2 -11.982 -8.046 16.031 30 HE2 LYS 2 HE2 LYS 2 -12.576 -10.699 15.041 31 HE3 LYS 2 HE1 LYS 2 -14.044 -9.839 15.504 32 HZ1 LYS 2 HZ1 LYS 2 -13.694 -8.218 13.938 33 HZ2 LYS 2 HZ2 LYS 2 -13.073 -9.567 13.129 34 HZ3 LYS 2 HZ3 LYS 2 -12.022 -8.467 13.868 35 H ARG 3 HN ARG 3 -6.835 -7.570 17.005 36 HA ARG 3 HA ARG 3 -6.494 -7.141 14.115 37 HE ARG 3 HE ARG 3 -7.731 -2.084 15.103 38 HB2 ARG 3 HB2 ARG 3 -6.594 -5.324 16.458 39 HB3 ARG 3 HB1 ARG 3 -5.479 -4.890 15.172 40 HG2 ARG 3 HG2 ARG 3 -7.121 -4.196 13.844 41 HG3 ARG 3 HG1 ARG 3 -8.093 -5.636 14.157 42 HD2 ARG 3 HD2 ARG 3 -9.382 -3.861 14.976 43 HD3 ARG 3 HD1 ARG 3 -8.639 -4.569 16.406 44 HH11 ARG 3 HH11 ARG 3 -8.093 -4.075 17.960 45 HH12 ARG 3 HH12 ARG 3 -7.451 -2.872 19.022 46 HH21 ARG 3 HH21 ARG 3 -6.887 -0.514 16.509 47 HH22 ARG 3 HH22 ARG 3 -6.767 -0.855 18.203 48 HA PRO 4 HA PRO 4 -2.395 -8.751 15.445 49 HB2 PRO 4 HB2 PRO 4 -1.908 -10.137 13.153 50 HB3 PRO 4 HB1 PRO 4 -2.803 -10.802 14.522 51 HG2 PRO 4 HG2 PRO 4 -3.814 -9.735 11.935 52 HG3 PRO 4 HG1 PRO 4 -4.432 -11.067 12.923 53 HD2 PRO 4 HD2 PRO 4 -5.526 -8.537 12.835 54 HD3 PRO 4 HD1 PRO 4 -5.737 -9.684 14.171 55 H ARG 5 HN ARG 5 -2.569 -8.394 11.917 56 HA ARG 5 HA ARG 5 -1.483 -5.830 11.709 57 HE ARG 5 HE ARG 5 3.661 -4.292 10.978 58 HB2 ARG 5 HB2 ARG 5 0.483 -6.865 12.797 59 HB3 ARG 5 HB1 ARG 5 0.583 -8.028 11.483 60 HG2 ARG 5 HG2 ARG 5 1.873 -6.625 10.365 61 HG3 ARG 5 HG1 ARG 5 0.541 -5.470 10.301 62 HD2 ARG 5 HD2 ARG 5 1.521 -4.127 11.788 63 HD3 ARG 5 HD1 ARG 5 1.853 -5.465 12.886 64 HH11 ARG 5 HH11 ARG 5 2.935 -7.124 12.884 65 HH12 ARG 5 HH12 ARG 5 4.568 -7.702 12.874 66 HH21 ARG 5 HH21 ARG 5 5.808 -5.051 10.964 67 HH22 ARG 5 HH22 ARG 5 6.198 -6.526 11.784 68 H THR 6 HN THR 6 -1.543 -5.154 9.623 69 HA THR 6 HA THR 6 -2.149 -5.173 7.428 70 HB THR 6 HB THR 6 -0.909 -6.675 5.988 71 HG1 THR 6 HG1 THR 6 0.249 -8.406 6.865 72 HG21 THR 6 HG21 THR 6 1.414 -6.567 7.192 73 HG22 THR 6 HG22 THR 6 0.536 -5.523 8.310 74 HG23 THR 6 HG23 THR 6 0.623 -5.107 6.598 75 H ALA 7 HN ALA 7 -4.258 -5.929 8.765 76 HA ALA 7 HA ALA 7 -5.207 -8.496 7.734 77 HB1 ALA 7 HB1 ALA 7 -6.532 -6.593 9.657 78 HB2 ALA 7 HB2 ALA 7 -5.566 -7.999 10.105 79 HB3 ALA 7 HB3 ALA 7 -7.087 -8.213 9.238 80 H PHE 8 HN PHE 8 -5.081 -7.421 5.555 81 HA PHE 8 HA PHE 8 -7.237 -5.579 4.943 82 HD1 PHE 8 HD1 PHE 8 -6.091 -3.336 3.350 83 HD2 PHE 8 HD2 PHE 8 -3.256 -6.296 4.496 84 HE1 PHE 8 HE1 PHE 8 -4.514 -1.565 4.006 85 HE2 PHE 8 HE2 PHE 8 -1.674 -4.530 5.156 86 HZ PHE 8 HZ PHE 8 -2.302 -2.162 4.911 87 HB2 PHE 8 HB2 PHE 8 -5.167 -6.870 3.154 88 HB3 PHE 8 HB1 PHE 8 -6.325 -5.648 2.640 89 H SER 9 HN SER 9 -8.527 -6.096 2.886 90 HA SER 9 HA SER 9 -9.527 -8.856 3.110 91 HG SER 9 HG SER 9 -11.762 -6.793 1.015 92 HB2 SER 9 HB2 SER 9 -11.695 -8.096 2.679 93 HB3 SER 9 HB1 SER 9 -11.028 -6.802 3.675 94 H SER 10 HN SER 10 -10.409 -9.803 1.114 95 HA SER 10 HA SER 10 -8.571 -9.858 -0.953 96 HG SER 10 HG SER 10 -10.017 -12.096 0.170 97 HB2 SER 10 HB2 SER 10 -11.397 -10.446 -1.664 98 HB3 SER 10 HB1 SER 10 -9.942 -11.407 -1.932 99 H GLU 11 HN GLU 11 -11.634 -8.069 -0.788 100 HA GLU 11 HA GLU 11 -11.436 -6.928 -3.370 101 HB2 GLU 11 HB2 GLU 11 -13.131 -6.554 -0.979 102 HB3 GLU 11 HB1 GLU 11 -13.008 -5.162 -2.045 103 HG2 GLU 11 HG2 GLU 11 -13.480 -7.627 -3.499 104 HG3 GLU 11 HG1 GLU 11 -14.740 -7.286 -2.313 105 H GLN 12 HN GLN 12 -10.421 -5.811 -0.171 106 HA GLN 12 HA GLN 12 -9.696 -3.196 -0.971 107 HB2 GLN 12 HB2 GLN 12 -8.742 -4.888 1.345 108 HB3 GLN 12 HB1 GLN 12 -8.356 -3.185 1.142 109 HG2 GLN 12 HG2 GLN 12 -10.600 -2.536 1.448 110 HG3 GLN 12 HG1 GLN 12 -11.179 -4.193 1.277 111 HE21 GLN 12 HE21 GLN 12 -11.758 -2.449 3.433 112 HE22 GLN 12 HE22 GLN 12 -11.092 -3.145 4.867 113 H LEU 13 HN LEU 13 -7.823 -6.191 -0.617 114 HA LEU 13 HA LEU 13 -5.344 -5.038 -1.342 115 HG LEU 13 HG LEU 13 -4.449 -6.911 0.610 116 HB2 LEU 13 HB2 LEU 13 -6.318 -7.609 -0.599 117 HB3 LEU 13 HB1 LEU 13 -5.411 -7.792 -2.086 118 HD11 LEU 13 HD11 LEU 13 -3.425 -8.876 0.587 119 HD12 LEU 13 HD12 LEU 13 -2.670 -8.520 -0.968 120 HD13 LEU 13 HD13 LEU 13 -4.275 -9.252 -0.912 121 HD21 LEU 13 HD21 LEU 13 -3.572 -5.837 -1.956 122 HD22 LEU 13 HD22 LEU 13 -2.269 -6.575 -1.026 123 HD23 LEU 13 HD23 LEU 13 -3.233 -5.281 -0.317 124 H ALA 14 HN ALA 14 -7.917 -6.601 -3.165 125 HA ALA 14 HA ALA 14 -6.597 -6.822 -5.631 126 HB1 ALA 14 HB1 ALA 14 -8.950 -7.685 -4.797 127 HB2 ALA 14 HB2 ALA 14 -8.617 -7.430 -6.510 128 HB3 ALA 14 HB3 ALA 14 -9.508 -6.215 -5.594 129 H ARG 15 HN ARG 15 -8.510 -4.184 -4.233 130 HA ARG 15 HA ARG 15 -8.435 -2.513 -6.516 131 HE ARG 15 HE ARG 15 -10.421 0.425 -7.608 132 HB2 ARG 15 HB2 ARG 15 -9.809 -2.422 -4.215 133 HB3 ARG 15 HB1 ARG 15 -8.536 -1.277 -3.816 134 HG2 ARG 15 HG2 ARG 15 -10.361 -0.038 -4.680 135 HG3 ARG 15 HG1 ARG 15 -9.102 -0.044 -5.917 136 HD2 ARG 15 HD2 ARG 15 -10.444 -2.205 -6.702 137 HD3 ARG 15 HD1 ARG 15 -11.763 -1.356 -5.897 138 HH11 ARG 15 HH11 ARG 15 -12.521 -2.359 -7.741 139 HH12 ARG 15 HH12 ARG 15 -13.217 -1.918 -9.264 140 HH21 ARG 15 HH21 ARG 15 -11.335 1.007 -9.611 141 HH22 ARG 15 HH22 ARG 15 -12.543 -0.008 -10.326 142 H LEU 16 HN LEU 16 -6.505 -2.497 -3.526 143 HA LEU 16 HA LEU 16 -4.792 -0.398 -4.256 144 HG LEU 16 HG LEU 16 -5.795 -0.263 -2.054 145 HB2 LEU 16 HB2 LEU 16 -4.465 -2.711 -2.358 146 HB3 LEU 16 HB1 LEU 16 -3.223 -1.491 -2.563 147 HD11 LEU 16 HD11 LEU 16 -5.196 -1.273 0.499 148 HD12 LEU 16 HD12 LEU 16 -5.278 -2.664 -0.581 149 HD13 LEU 16 HD13 LEU 16 -6.644 -1.555 -0.466 150 HD21 LEU 16 HD21 LEU 16 -3.656 -0.074 -0.055 151 HD22 LEU 16 HD22 LEU 16 -4.516 1.196 -0.926 152 HD23 LEU 16 HD23 LEU 16 -3.174 0.352 -1.697 153 H LYS 17 HN LYS 17 -4.579 -3.882 -4.775 154 HA LYS 17 HA LYS 17 -1.962 -3.951 -5.805 155 HB2 LYS 17 HB2 LYS 17 -4.316 -5.757 -5.839 156 HB3 LYS 17 HB1 LYS 17 -3.097 -6.035 -7.074 157 HG2 LYS 17 HG2 LYS 17 -1.665 -5.720 -4.704 158 HG3 LYS 17 HG1 LYS 17 -3.063 -6.708 -4.277 159 HD2 LYS 17 HD2 LYS 17 -2.283 -7.840 -6.633 160 HD3 LYS 17 HD1 LYS 17 -0.734 -7.347 -5.943 161 HE2 LYS 17 HE2 LYS 17 -0.912 -8.778 -4.171 162 HE3 LYS 17 HE1 LYS 17 -2.674 -8.725 -4.166 163 HZ1 LYS 17 HZ1 LYS 17 -2.630 -10.073 -6.216 164 HZ2 LYS 17 HZ2 LYS 17 -1.956 -10.874 -4.887 165 HZ3 LYS 17 HZ3 LYS 17 -0.949 -10.209 -6.073 166 H ARG 18 HN ARG 18 -5.114 -3.582 -7.378 167 HA ARG 18 HA ARG 18 -4.220 -3.588 -10.034 168 HE ARG 18 HE ARG 18 -8.050 -4.315 -12.758 169 HB2 ARG 18 HB2 ARG 18 -6.627 -2.445 -8.655 170 HB3 ARG 18 HB1 ARG 18 -6.346 -2.107 -10.357 171 HG2 ARG 18 HG2 ARG 18 -6.409 -4.903 -9.270 172 HG3 ARG 18 HG1 ARG 18 -7.864 -4.058 -9.802 173 HD2 ARG 18 HD2 ARG 18 -6.052 -3.673 -11.869 174 HD3 ARG 18 HD1 ARG 18 -5.784 -5.340 -11.364 175 HH11 ARG 18 HH11 ARG 18 -7.046 -6.735 -10.453 176 HH12 ARG 18 HH12 ARG 18 -8.336 -7.821 -10.843 177 HH21 ARG 18 HH21 ARG 18 -9.747 -5.743 -13.272 178 HH22 ARG 18 HH22 ARG 18 -9.870 -7.259 -12.444 179 H GLU 19 HN GLU 19 -4.599 -0.952 -7.702 180 HA GLU 19 HA GLU 19 -3.887 1.129 -9.490 181 HB2 GLU 19 HB2 GLU 19 -4.941 1.091 -7.012 182 HB3 GLU 19 HB1 GLU 19 -3.269 1.451 -6.608 183 HG2 GLU 19 HG2 GLU 19 -3.408 3.544 -7.370 184 HG3 GLU 19 HG1 GLU 19 -4.320 3.064 -8.801 185 H PHE 20 HN PHE 20 -2.055 -0.998 -7.387 186 HA PHE 20 HA PHE 20 0.407 0.377 -7.511 187 HD1 PHE 20 HD2 PHE 20 2.188 -3.047 -8.159 188 HD2 PHE 20 HD1 PHE 20 1.751 -0.436 -4.828 189 HE1 PHE 20 HE2 PHE 20 4.604 -3.203 -7.726 190 HE2 PHE 20 HE1 PHE 20 4.167 -0.585 -4.389 191 HZ PHE 20 HZ PHE 20 5.597 -1.970 -5.839 192 HB2 PHE 20 HB2 PHE 20 -0.162 -1.413 -5.858 193 HB3 PHE 20 HB1 PHE 20 -0.004 -2.597 -7.152 194 H ASN 21 HN ASN 21 -1.053 -2.105 -9.552 195 HA ASN 21 HA ASN 21 1.202 -2.655 -11.141 196 HB2 ASN 21 HB2 ASN 21 -1.730 -3.070 -11.391 197 HB3 ASN 21 HB1 ASN 21 -0.786 -3.147 -12.876 198 HD21 ASN 21 HD21 ASN 21 0.489 -4.880 -13.261 199 HD22 ASN 21 HD22 ASN 21 0.596 -6.252 -12.218 200 H GLU 22 HN GLU 22 -1.172 -0.099 -11.223 201 HA GLU 22 HA GLU 22 -0.312 0.895 -13.801 202 HB2 GLU 22 HB2 GLU 22 -2.285 1.817 -11.730 203 HB3 GLU 22 HB1 GLU 22 -1.817 2.872 -13.056 204 HG2 GLU 22 HG2 GLU 22 -3.166 1.830 -14.468 205 HG3 GLU 22 HG1 GLU 22 -2.523 0.251 -14.022 206 H ASN 23 HN ASN 23 0.198 1.573 -10.412 207 HA ASN 23 HA ASN 23 2.568 3.099 -11.018 208 HB2 ASN 23 HB2 ASN 23 0.356 4.615 -10.921 209 HB3 ASN 23 HB1 ASN 23 0.719 4.552 -9.199 210 HD21 ASN 23 HD21 ASN 23 2.279 5.814 -8.408 211 HD22 ASN 23 HD22 ASN 23 3.321 6.812 -9.356 212 H ARG 24 HN ARG 24 4.018 2.263 -9.684 213 HA ARG 24 HA ARG 24 3.295 0.854 -7.312 214 HE ARG 24 HE ARG 24 5.583 -2.840 -9.886 215 HB2 ARG 24 HB2 ARG 24 6.051 1.721 -8.186 216 HB3 ARG 24 HB1 ARG 24 5.661 0.442 -7.046 217 HG2 ARG 24 HG2 ARG 24 4.326 -0.498 -9.136 218 HG3 ARG 24 HG1 ARG 24 5.528 0.457 -10.006 219 HD2 ARG 24 HD2 ARG 24 7.319 -0.719 -8.844 220 HD3 ARG 24 HD1 ARG 24 6.134 -1.644 -7.929 221 HH11 ARG 24 HH11 ARG 24 8.202 -0.577 -10.401 222 HH12 ARG 24 HH12 ARG 24 8.740 -1.348 -11.853 223 HH21 ARG 24 HH21 ARG 24 6.295 -3.842 -11.796 224 HH22 ARG 24 HH22 ARG 24 7.658 -3.195 -12.647 225 H TYR 25 HN TYR 25 3.531 4.116 -7.863 226 HA TYR 25 HA TYR 25 4.502 4.699 -5.154 227 HD1 TYR 25 HD1 TYR 25 6.171 4.473 -8.102 228 HD2 TYR 25 HD2 TYR 25 6.529 7.599 -5.240 229 HE1 TYR 25 HE1 TYR 25 8.616 4.209 -8.128 230 HE2 TYR 25 HE2 TYR 25 8.974 7.346 -5.258 231 HH TYR 25 HH TYR 25 10.725 6.483 -6.681 232 HB2 TYR 25 HB2 TYR 25 4.345 6.318 -7.679 233 HB3 TYR 25 HB1 TYR 25 4.442 7.120 -6.115 234 H LEU 26 HN LEU 26 3.386 6.946 -4.437 235 HA LEU 26 HA LEU 26 0.514 6.849 -4.901 236 HG LEU 26 HG LEU 26 0.556 4.352 -3.217 237 HB2 LEU 26 HB2 LEU 26 1.860 6.126 -2.366 238 HB3 LEU 26 HB1 LEU 26 0.476 7.188 -2.219 239 HD11 LEU 26 HD11 LEU 26 -1.122 4.021 -1.509 240 HD12 LEU 26 HD12 LEU 26 -1.153 5.752 -1.164 241 HD13 LEU 26 HD13 LEU 26 0.292 4.805 -0.804 242 HD21 LEU 26 HD21 LEU 26 -1.684 4.501 -3.986 243 HD22 LEU 26 HD22 LEU 26 -0.794 5.792 -4.786 244 HD23 LEU 26 HD23 LEU 26 -1.842 6.161 -3.416 245 H THR 27 HN THR 27 -0.531 8.645 -3.450 246 HA THR 27 HA THR 27 1.187 10.981 -3.157 247 HB THR 27 HB THR 27 -0.083 12.394 -4.583 248 HG1 THR 27 HG1 THR 27 -2.134 11.991 -4.617 249 HG21 THR 27 HG21 THR 27 0.479 9.771 -5.904 250 HG22 THR 27 HG22 THR 27 1.357 11.295 -6.032 251 HG23 THR 27 HG23 THR 27 -0.224 11.118 -6.794 252 H GLU 28 HN GLU 28 -0.062 12.808 -2.104 253 HA GLU 28 HA GLU 28 -1.337 11.915 0.207 254 HB2 GLU 28 HB2 GLU 28 -1.626 14.632 -1.094 255 HB3 GLU 28 HB1 GLU 28 -1.973 14.249 0.586 256 HG2 GLU 28 HG2 GLU 28 0.593 13.409 0.389 257 HG3 GLU 28 HG1 GLU 28 0.588 14.756 -0.748 258 H ARG 29 HN ARG 29 -2.758 13.343 -2.719 259 HA ARG 29 HA ARG 29 -5.442 13.137 -1.950 260 HE ARG 29 HE ARG 29 -7.287 14.720 -3.989 261 HB2 ARG 29 HB2 ARG 29 -4.237 13.053 -4.721 262 HB3 ARG 29 HB1 ARG 29 -5.941 13.302 -4.372 263 HG2 ARG 29 HG2 ARG 29 -3.698 15.120 -3.520 264 HG3 ARG 29 HG1 ARG 29 -4.792 15.396 -4.874 265 HD2 ARG 29 HD2 ARG 29 -5.623 15.137 -1.986 266 HD3 ARG 29 HD1 ARG 29 -5.435 16.658 -2.859 267 HH11 ARG 29 HH11 ARG 29 -6.848 17.609 -2.072 268 HH12 ARG 29 HH12 ARG 29 -8.488 18.130 -2.261 269 HH21 ARG 29 HH21 ARG 29 -9.442 15.409 -4.231 270 HH22 ARG 29 HH22 ARG 29 -9.960 16.882 -3.483 271 H ARG 30 HN ARG 30 -3.277 10.813 -3.481 272 HA ARG 30 HA ARG 30 -5.293 8.919 -4.129 273 HE ARG 30 HE ARG 30 -2.916 9.036 -7.370 274 HB2 ARG 30 HB2 ARG 30 -2.664 9.224 -4.787 275 HB3 ARG 30 HB1 ARG 30 -2.577 7.889 -3.649 276 HG2 ARG 30 HG2 ARG 30 -3.945 6.523 -4.979 277 HG3 ARG 30 HG1 ARG 30 -4.494 7.887 -5.956 278 HD2 ARG 30 HD2 ARG 30 -1.583 7.300 -5.905 279 HD3 ARG 30 HD1 ARG 30 -2.628 6.196 -6.798 280 HH11 ARG 30 HH11 ARG 30 -1.567 5.955 -8.326 281 HH12 ARG 30 HH12 ARG 30 -1.307 6.440 -9.966 282 HH21 ARG 30 HH21 ARG 30 -2.568 9.669 -9.528 283 HH22 ARG 30 HH22 ARG 30 -1.872 8.546 -10.648 284 H ARG 31 HN ARG 31 -2.957 9.141 -1.456 285 HA ARG 31 HA ARG 31 -3.684 6.786 -0.143 286 HE ARG 31 HE ARG 31 -0.722 9.100 3.080 287 HB2 ARG 31 HB2 ARG 31 -1.793 8.673 0.270 288 HB3 ARG 31 HB1 ARG 31 -2.919 9.089 1.553 289 HG2 ARG 31 HG2 ARG 31 -2.489 7.208 2.732 290 HG3 ARG 31 HG1 ARG 31 -2.208 6.233 1.288 291 HD2 ARG 31 HD2 ARG 31 -0.176 6.629 2.690 292 HD3 ARG 31 HD1 ARG 31 -0.024 7.139 1.009 293 HH11 ARG 31 HH11 ARG 31 1.509 7.946 0.644 294 HH12 ARG 31 HH12 ARG 31 2.448 9.398 0.648 295 HH21 ARG 31 HH21 ARG 31 0.522 11.000 3.080 296 HH22 ARG 31 HH22 ARG 31 1.893 11.128 2.028 297 H GLN 32 HN GLN 32 -4.856 10.108 0.278 298 HA GLN 32 HA GLN 32 -6.703 9.501 2.338 299 HB2 GLN 32 HB2 GLN 32 -5.805 11.782 1.808 300 HB3 GLN 32 HB1 GLN 32 -6.831 11.799 0.381 301 HG2 GLN 32 HG2 GLN 32 -8.706 11.266 2.163 302 HG3 GLN 32 HG1 GLN 32 -7.554 12.049 3.244 303 HE21 GLN 32 HE21 GLN 32 -9.845 12.469 0.732 304 HE22 GLN 32 HE22 GLN 32 -9.757 14.191 0.632 305 H GLN 33 HN GLN 33 -6.907 9.544 -1.169 306 HA GLN 33 HA GLN 33 -9.724 9.325 -1.355 307 HB2 GLN 33 HB2 GLN 33 -7.436 8.828 -3.219 308 HB3 GLN 33 HB1 GLN 33 -9.040 8.264 -3.665 309 HG2 GLN 33 HG2 GLN 33 -9.088 11.002 -2.734 310 HG3 GLN 33 HG1 GLN 33 -7.983 10.787 -4.090 311 HE21 GLN 33 HE21 GLN 33 -11.256 10.859 -3.058 312 HE22 GLN 33 HE22 GLN 33 -11.985 10.669 -4.612 313 H LEU 34 HN LEU 34 -7.137 6.881 -1.587 314 HA LEU 34 HA LEU 34 -8.880 4.666 -1.791 315 HG LEU 34 HG LEU 34 -7.634 3.521 -3.195 316 HB2 LEU 34 HB2 LEU 34 -5.996 5.089 -1.273 317 HB3 LEU 34 HB1 LEU 34 -6.663 3.570 -0.701 318 HD11 LEU 34 HD11 LEU 34 -5.626 5.615 -3.209 319 HD12 LEU 34 HD12 LEU 34 -6.804 5.168 -4.442 320 HD13 LEU 34 HD13 LEU 34 -5.258 4.324 -4.352 321 HD21 LEU 34 HD21 LEU 34 -4.898 2.696 -2.244 322 HD22 LEU 34 HD22 LEU 34 -5.580 2.201 -3.794 323 HD23 LEU 34 HD23 LEU 34 -6.368 1.724 -2.291 324 H SER 35 HN SER 35 -7.490 6.397 0.917 325 HA SER 35 HA SER 35 -8.074 4.578 2.966 326 HG SER 35 HG SER 35 -8.547 7.921 4.598 327 HB2 SER 35 HB2 SER 35 -6.679 6.257 3.709 328 HB3 SER 35 HB1 SER 35 -7.538 7.510 2.815 329 H SER 36 HN SER 36 -9.931 7.326 1.716 330 HA SER 36 HA SER 36 -12.170 6.906 3.417 331 HG SER 36 HG SER 36 -11.746 10.185 2.393 332 HB2 SER 36 HB2 SER 36 -11.674 8.568 0.967 333 HB3 SER 36 HB1 SER 36 -13.301 8.424 1.631 334 H GLU 37 HN GLU 37 -11.538 6.118 0.014 335 HA GLU 37 HA GLU 37 -14.054 5.023 -0.561 336 HB2 GLU 37 HB2 GLU 37 -12.287 5.700 -2.218 337 HB3 GLU 37 HB1 GLU 37 -11.439 4.211 -1.828 338 HG2 GLU 37 HG2 GLU 37 -13.917 3.267 -2.388 339 HG3 GLU 37 HG1 GLU 37 -13.821 4.654 -3.473 340 H LEU 38 HN LEU 38 -11.058 3.423 0.507 341 HA LEU 38 HA LEU 38 -12.387 0.852 0.593 342 HG LEU 38 HG LEU 38 -10.401 1.436 -1.150 343 HB2 LEU 38 HB2 LEU 38 -9.604 1.715 1.375 344 HB3 LEU 38 HB1 LEU 38 -10.181 0.062 1.482 345 HD11 LEU 38 HD11 LEU 38 -8.021 1.639 0.114 346 HD12 LEU 38 HD12 LEU 38 -8.210 1.503 -1.634 347 HD13 LEU 38 HD13 LEU 38 -7.844 0.070 -0.673 348 HD21 LEU 38 HD21 LEU 38 -9.421 -1.069 -1.546 349 HD22 LEU 38 HD22 LEU 38 -11.135 -0.655 -1.504 350 HD23 LEU 38 HD23 LEU 38 -10.345 -1.286 -0.060 351 H GLY 39 HN GLY 39 -10.882 3.044 2.961 352 HA2 GLY 39 HA2 GLY 39 -12.123 3.483 5.026 353 HA3 GLY 39 HA1 GLY 39 -12.581 1.787 5.025 354 H LEU 40 HN LEU 40 -9.425 3.332 4.504 355 HA LEU 40 HA LEU 40 -8.456 2.071 6.973 356 HG LEU 40 HG LEU 40 -9.071 0.333 4.922 357 HB2 LEU 40 HB2 LEU 40 -6.940 2.002 4.367 358 HB3 LEU 40 HB1 LEU 40 -6.469 1.255 5.883 359 HD11 LEU 40 HD11 LEU 40 -7.441 -1.164 3.285 360 HD12 LEU 40 HD12 LEU 40 -6.859 0.482 3.042 361 HD13 LEU 40 HD13 LEU 40 -8.557 0.099 2.767 362 HD21 LEU 40 HD21 LEU 40 -8.466 -1.431 6.127 363 HD22 LEU 40 HD22 LEU 40 -6.998 -0.556 6.562 364 HD23 LEU 40 HD23 LEU 40 -6.995 -1.650 5.178 365 H ASN 41 HN ASN 41 -6.288 2.937 7.628 366 HA ASN 41 HA ASN 41 -6.348 5.812 7.433 367 HB2 ASN 41 HB2 ASN 41 -4.328 5.632 8.976 368 HB3 ASN 41 HB1 ASN 41 -5.846 4.992 9.595 369 HD21 ASN 41 HD21 ASN 41 -2.744 4.429 9.714 370 HD22 ASN 41 HD22 ASN 41 -2.701 2.703 9.733 371 H GLU 42 HN GLU 42 -4.916 7.142 6.439 372 HA GLU 42 HA GLU 42 -3.683 6.389 4.098 373 HB2 GLU 42 HB2 GLU 42 -2.931 8.682 5.918 374 HB3 GLU 42 HB1 GLU 42 -2.442 8.527 4.236 375 HG2 GLU 42 HG2 GLU 42 -4.964 8.409 3.740 376 HG3 GLU 42 HG1 GLU 42 -5.159 9.066 5.364 377 H ALA 43 HN ALA 43 -2.343 6.447 7.352 378 HA ALA 43 HA ALA 43 0.355 6.046 6.678 379 HB1 ALA 43 HB1 ALA 43 -0.803 6.617 8.960 380 HB2 ALA 43 HB2 ALA 43 0.735 5.755 8.922 381 HB3 ALA 43 HB3 ALA 43 -0.767 4.866 9.174 382 H GLN 44 HN GLN 44 -2.302 3.774 7.203 383 HA GLN 44 HA GLN 44 -0.693 1.432 7.091 384 HB2 GLN 44 HB2 GLN 44 -3.527 2.071 7.284 385 HB3 GLN 44 HB1 GLN 44 -3.236 0.677 6.253 386 HG2 GLN 44 HG2 GLN 44 -2.132 0.950 9.036 387 HG3 GLN 44 HG1 GLN 44 -3.658 0.153 8.656 388 HE21 GLN 44 HE21 GLN 44 -0.668 -0.524 9.484 389 HE22 GLN 44 HE22 GLN 44 -0.389 -1.984 8.604 390 H ILE 45 HN ILE 45 -2.532 3.270 4.701 391 HA ILE 45 HA ILE 45 -2.173 1.472 2.549 392 HB ILE 45 HB ILE 45 -2.467 4.471 2.341 393 HG12 ILE 45 HG12 ILE 45 -4.825 2.686 2.073 394 HG13 ILE 45 HG11 ILE 45 -4.210 2.937 3.703 395 HG21 ILE 45 HG21 ILE 45 -1.826 3.012 0.320 396 HG22 ILE 45 HG22 ILE 45 -3.166 4.144 0.146 397 HG23 ILE 45 HG23 ILE 45 -3.488 2.429 0.402 398 HD11 ILE 45 HD11 ILE 45 -5.218 4.897 3.811 399 HD12 ILE 45 HD12 ILE 45 -5.909 4.600 2.215 400 HD13 ILE 45 HD13 ILE 45 -4.371 5.450 2.367 401 H LYS 46 HN LYS 46 -0.335 4.272 3.679 402 HA LYS 46 HA LYS 46 1.563 4.380 1.632 403 HB2 LYS 46 HB2 LYS 46 1.085 5.738 4.014 404 HB3 LYS 46 HB1 LYS 46 2.675 5.025 4.244 405 HG2 LYS 46 HG2 LYS 46 2.536 6.171 1.634 406 HG3 LYS 46 HG1 LYS 46 1.998 7.357 2.824 407 HD2 LYS 46 HD2 LYS 46 4.064 6.866 4.138 408 HD3 LYS 46 HD1 LYS 46 4.609 5.851 2.802 409 HE2 LYS 46 HE2 LYS 46 3.751 8.551 2.032 410 HE3 LYS 46 HE1 LYS 46 5.175 8.495 3.071 411 HZ1 LYS 46 HZ1 LYS 46 5.477 8.373 0.536 412 HZ2 LYS 46 HZ2 LYS 46 4.998 6.759 0.697 413 HZ3 LYS 46 HZ3 LYS 46 6.373 7.316 1.508 414 H ILE 47 HN ILE 47 1.602 2.606 4.713 415 HA ILE 47 HA ILE 47 4.174 1.505 4.433 416 HB ILE 47 HB ILE 47 1.808 0.317 5.891 417 HG12 ILE 47 HG12 ILE 47 4.001 1.834 7.237 418 HG13 ILE 47 HG11 ILE 47 2.738 2.740 6.412 419 HG21 ILE 47 HG21 ILE 47 3.460 -1.365 5.666 420 HG22 ILE 47 HG22 ILE 47 3.632 -0.716 7.297 421 HG23 ILE 47 HG23 ILE 47 4.763 -0.233 6.033 422 HD11 ILE 47 HD11 ILE 47 2.689 1.453 8.974 423 HD12 ILE 47 HD12 ILE 47 1.398 0.834 7.945 424 HD13 ILE 47 HD13 ILE 47 1.527 2.566 8.254 425 H TRP 48 HN TRP 48 0.994 0.316 3.416 426 HA TRP 48 HA TRP 48 1.801 -2.223 2.547 427 HD1 TRP 48 HD1 TRP 48 -0.635 -4.195 2.439 428 HE1 TRP 48 HE1 TRP 48 -1.224 -5.589 0.358 429 HE3 TRP 48 HE3 TRP 48 -0.266 -0.538 -1.119 430 HZ2 TRP 48 HZ2 TRP 48 -1.499 -5.192 -2.428 431 HZ3 TRP 48 HZ3 TRP 48 -0.706 -1.130 -3.465 432 HH2 TRP 48 HH2 TRP 48 -1.308 -3.406 -4.102 433 HB2 TRP 48 HB2 TRP 48 -0.564 -1.543 2.846 434 HB3 TRP 48 HB1 TRP 48 -0.428 -0.510 1.426 435 H PHE 49 HN PHE 49 1.501 0.830 0.750 436 HA PHE 49 HA PHE 49 2.328 -0.205 -1.737 437 HD1 PHE 49 HD2 PHE 49 2.806 1.914 -4.065 438 HD2 PHE 49 HD1 PHE 49 -0.473 1.916 -1.354 439 HE1 PHE 49 HE2 PHE 49 1.243 1.916 -5.962 440 HE2 PHE 49 HE1 PHE 49 -2.045 1.917 -3.248 441 HZ PHE 49 HZ PHE 49 -1.186 1.919 -5.557 442 HB2 PHE 49 HB2 PHE 49 1.748 2.406 -0.595 443 HB3 PHE 49 HB1 PHE 49 3.104 2.474 -1.716 444 H GLN 50 HN GLN 50 4.114 1.360 0.890 445 HA GLN 50 HA GLN 50 6.620 1.424 -0.389 446 HB2 GLN 50 HB2 GLN 50 5.956 2.677 1.698 447 HB3 GLN 50 HB1 GLN 50 6.143 1.169 2.582 448 HG2 GLN 50 HG2 GLN 50 8.393 1.251 2.523 449 HG3 GLN 50 HG1 GLN 50 8.434 1.982 0.919 450 HE21 GLN 50 HE21 GLN 50 8.463 2.525 4.303 451 HE22 GLN 50 HE22 GLN 50 8.650 4.241 4.254 452 H ASN 51 HN ASN 51 5.086 -1.003 1.685 453 HA ASN 51 HA ASN 51 7.335 -2.731 1.805 454 HB2 ASN 51 HB2 ASN 51 4.605 -2.720 2.764 455 HB3 ASN 51 HB1 ASN 51 5.038 -4.308 2.138 456 HD21 ASN 51 HD21 ASN 51 5.104 -2.328 4.790 457 HD22 ASN 51 HD22 ASN 51 6.300 -3.155 5.722 458 H LYS 52 HN LYS 52 4.594 -2.448 -0.374 459 HA LYS 52 HA LYS 52 5.013 -4.881 -1.761 460 HB2 LYS 52 HB2 LYS 52 3.060 -2.956 -1.754 461 HB3 LYS 52 HB1 LYS 52 3.825 -2.692 -3.315 462 HG2 LYS 52 HG2 LYS 52 3.542 -5.423 -3.227 463 HG3 LYS 52 HG1 LYS 52 2.081 -4.841 -2.425 464 HD2 LYS 52 HD2 LYS 52 1.830 -3.251 -4.404 465 HD3 LYS 52 HD1 LYS 52 3.057 -4.236 -5.204 466 HE2 LYS 52 HE2 LYS 52 0.419 -5.225 -4.126 467 HE3 LYS 52 HE1 LYS 52 0.796 -4.936 -5.823 468 HZ1 LYS 52 HZ1 LYS 52 2.064 -6.796 -5.955 469 HZ2 LYS 52 HZ2 LYS 52 1.013 -7.310 -4.735 470 HZ3 LYS 52 HZ3 LYS 52 2.553 -6.737 -4.337 471 H ARG 53 HN ARG 53 6.391 -1.688 -2.041 472 HA ARG 53 HA ARG 53 7.487 -1.997 -4.644 473 HE ARG 53 HE ARG 53 9.037 2.549 -6.203 474 HB2 ARG 53 HB2 ARG 53 7.134 0.188 -3.444 475 HB3 ARG 53 HB1 ARG 53 8.518 -0.211 -2.436 476 HG2 ARG 53 HG2 ARG 53 9.486 1.120 -4.030 477 HG3 ARG 53 HG1 ARG 53 9.748 -0.483 -4.718 478 HD2 ARG 53 HD2 ARG 53 8.038 -0.211 -6.291 479 HD3 ARG 53 HD1 ARG 53 7.314 1.128 -5.405 480 HH11 ARG 53 HH11 ARG 53 9.158 -0.661 -7.591 481 HH12 ARG 53 HH12 ARG 53 10.126 -0.170 -8.937 482 HH21 ARG 53 HH21 ARG 53 10.312 3.181 -7.974 483 HH22 ARG 53 HH22 ARG 53 10.782 2.004 -9.155 484 H ALA 54 HN ALA 54 8.749 -2.545 -1.384 485 HA ALA 54 HA ALA 54 11.380 -3.228 -2.216 486 HB1 ALA 54 HB1 ALA 54 11.648 -2.893 -0.033 487 HB2 ALA 54 HB2 ALA 54 10.942 -4.487 0.231 488 HB3 ALA 54 HB3 ALA 54 9.918 -3.051 0.267 489 H LYS 55 HN LYS 55 8.405 -5.019 -1.834 490 HA LYS 55 HA LYS 55 9.657 -7.604 -1.990 491 HB2 LYS 55 HB2 LYS 55 6.920 -6.552 -1.692 492 HB3 LYS 55 HB1 LYS 55 7.035 -8.069 -2.574 493 HG2 LYS 55 HG2 LYS 55 7.995 -9.185 -0.742 494 HG3 LYS 55 HG1 LYS 55 8.338 -7.672 0.100 495 HD2 LYS 55 HD2 LYS 55 5.518 -8.410 -0.578 496 HD3 LYS 55 HD1 LYS 55 6.305 -9.122 0.833 497 HE2 LYS 55 HE2 LYS 55 6.879 -6.394 0.976 498 HE3 LYS 55 HE1 LYS 55 5.190 -6.481 0.480 499 HZ1 LYS 55 HZ1 LYS 55 6.040 -6.647 3.017 500 HZ2 LYS 55 HZ2 LYS 55 5.913 -8.285 2.619 501 HZ3 LYS 55 HZ3 LYS 55 4.568 -7.271 2.465 502 H ILE 56 HN ILE 56 8.414 -5.271 -4.231 503 HA ILE 56 HA ILE 56 8.726 -7.210 -6.427 504 HB ILE 56 HB ILE 56 7.175 -4.622 -6.509 505 HG12 ILE 56 HG12 ILE 56 6.042 -7.418 -6.350 506 HG13 ILE 56 HG11 ILE 56 6.257 -6.391 -4.936 507 HG21 ILE 56 HG21 ILE 56 6.385 -6.578 -8.441 508 HG22 ILE 56 HG22 ILE 56 8.126 -6.317 -8.545 509 HG23 ILE 56 HG23 ILE 56 7.020 -4.952 -8.696 510 HD11 ILE 56 HD11 ILE 56 3.996 -6.217 -5.635 511 HD12 ILE 56 HD12 ILE 56 4.473 -5.896 -7.302 512 HD13 ILE 56 HD13 ILE 56 4.797 -4.701 -6.046 513 H LYS 57 HN LYS 57 11.058 -6.738 -6.201 514 HA LYS 57 HA LYS 57 11.834 -4.727 -8.108 515 HB2 LYS 57 HB2 LYS 57 12.221 -4.327 -5.211 516 HB3 LYS 57 HB1 LYS 57 13.649 -4.049 -6.197 517 HG2 LYS 57 HG2 LYS 57 12.083 -2.584 -7.638 518 HG3 LYS 57 HG1 LYS 57 11.031 -2.609 -6.221 519 HD2 LYS 57 HD2 LYS 57 12.384 -0.661 -6.046 520 HD3 LYS 57 HD1 LYS 57 13.005 -1.824 -4.872 521 HE2 LYS 57 HE2 LYS 57 14.806 -2.429 -6.360 522 HE3 LYS 57 HE1 LYS 57 14.147 -1.399 -7.631 523 HZ1 LYS 57 HZ1 LYS 57 14.488 0.168 -5.343 524 HZ2 LYS 57 HZ2 LYS 57 15.315 0.275 -6.813 525 HZ3 LYS 57 HZ3 LYS 57 15.919 -0.704 -5.574 526 H LYS 58 HN LYS 58 12.320 -6.878 -9.037 527 HA LYS 58 HA LYS 58 14.521 -8.361 -7.909 528 HB2 LYS 58 HB2 LYS 58 12.630 -8.690 -10.146 529 HB3 LYS 58 HB1 LYS 58 14.232 -9.358 -10.429 530 HG2 LYS 58 HG2 LYS 58 14.058 -10.802 -8.559 531 HG3 LYS 58 HG1 LYS 58 12.605 -9.986 -7.982 532 HD2 LYS 58 HD2 LYS 58 11.831 -10.712 -10.477 533 HD3 LYS 58 HD1 LYS 58 12.925 -12.034 -10.069 534 HE2 LYS 58 HE2 LYS 58 11.462 -12.924 -8.640 535 HE3 LYS 58 HE1 LYS 58 11.162 -11.369 -7.866 536 HZ1 LYS 58 HZ1 LYS 58 9.210 -12.467 -8.999 537 HZ2 LYS 58 HZ2 LYS 58 9.954 -12.087 -10.470 538 HZ3 LYS 58 HZ3 LYS 58 9.498 -10.851 -9.410 539 H SER 59 HN SER 59 16.458 -8.873 -9.230 540 HA SER 59 HA SER 59 17.431 -6.436 -10.556 541 HG SER 59 HG SER 59 20.232 -6.468 -8.754 542 HB2 SER 59 HB2 SER 59 18.585 -8.211 -8.597 543 HB3 SER 59 HB1 SER 59 19.608 -8.149 -10.032 Start of MODEL 23 1 HA MET -1 HA MET -1 16.518 -11.570 18.932 2 H1 MET -1 HT1 MET -1 15.716 -14.198 18.697 3 H2 MET -1 HT2 MET -1 16.714 -13.481 19.894 4 H3 MET -1 HT3 MET -1 17.417 -14.168 18.489 5 HB2 MET -1 HB2 MET -1 17.671 -13.010 16.533 6 HB3 MET -1 HB1 MET -1 17.559 -11.262 16.691 7 HG2 MET -1 HG2 MET -1 18.944 -11.530 18.808 8 HG3 MET -1 HG1 MET -1 19.262 -13.171 18.252 9 HE1 MET -1 HE1 MET -1 21.626 -13.104 15.617 10 HE2 MET -1 HE2 MET -1 20.703 -13.904 16.888 11 HE3 MET -1 HE3 MET -1 22.174 -13.019 17.291 12 H ASP 0 HN ASP 0 14.976 -10.326 17.968 13 HA ASP 0 HA ASP 0 13.175 -11.605 16.036 14 HB2 ASP 0 HB2 ASP 0 12.529 -10.818 18.752 15 HB3 ASP 0 HB1 ASP 0 11.522 -9.967 17.586 16 H GLU 1 HN GLU 1 12.816 -10.373 14.311 17 HA GLU 1 HA GLU 1 12.696 -7.490 14.525 18 HB2 GLU 1 HB2 GLU 1 15.132 -8.736 13.813 19 HB3 GLU 1 HB1 GLU 1 14.470 -8.051 12.335 20 HG2 GLU 1 HG2 GLU 1 15.755 -6.329 13.165 21 HG3 GLU 1 HG1 GLU 1 14.141 -5.915 13.740 22 H LYS 2 HN LYS 2 10.627 -7.548 13.736 23 HA LYS 2 HA LYS 2 10.317 -8.538 10.977 24 HB2 LYS 2 HB2 LYS 2 9.027 -9.772 12.782 25 HB3 LYS 2 HB1 LYS 2 8.093 -8.299 13.002 26 HG2 LYS 2 HG2 LYS 2 7.258 -8.420 10.760 27 HG3 LYS 2 HG1 LYS 2 8.321 -9.780 10.392 28 HD2 LYS 2 HD2 LYS 2 7.093 -11.255 11.713 29 HD3 LYS 2 HD1 LYS 2 6.332 -9.953 12.627 30 HE2 LYS 2 HE2 LYS 2 5.713 -9.722 9.824 31 HE3 LYS 2 HE1 LYS 2 5.290 -11.327 10.421 32 HZ1 LYS 2 HZ1 LYS 2 4.472 -8.845 11.816 33 HZ2 LYS 2 HZ2 LYS 2 3.871 -10.411 12.036 34 HZ3 LYS 2 HZ3 LYS 2 3.523 -9.566 10.614 35 H ARG 3 HN ARG 3 8.928 -7.333 9.585 36 HA ARG 3 HA ARG 3 9.092 -4.488 10.064 37 HE ARG 3 HE ARG 3 10.060 -1.713 8.585 38 HB2 ARG 3 HB2 ARG 3 9.318 -6.004 7.817 39 HB3 ARG 3 HB1 ARG 3 7.659 -5.441 7.669 40 HG2 ARG 3 HG2 ARG 3 9.044 -3.911 6.501 41 HG3 ARG 3 HG1 ARG 3 8.507 -3.112 7.980 42 HD2 ARG 3 HD2 ARG 3 10.804 -4.249 8.836 43 HD3 ARG 3 HD1 ARG 3 11.203 -3.956 7.144 44 HH11 ARG 3 HH11 ARG 3 12.968 -3.318 7.502 45 HH12 ARG 3 HH12 ARG 3 13.945 -1.894 7.624 46 HH21 ARG 3 HH21 ARG 3 11.347 0.155 8.748 47 HH22 ARG 3 HH22 ARG 3 13.027 0.075 8.332 48 HA PRO 4 HA PRO 4 5.002 -4.194 11.846 49 HB2 PRO 4 HB2 PRO 4 5.202 -1.388 10.896 50 HB3 PRO 4 HB1 PRO 4 4.858 -2.006 12.515 51 HG2 PRO 4 HG2 PRO 4 7.231 -0.939 11.935 52 HG3 PRO 4 HG1 PRO 4 7.097 -2.347 13.005 53 HD2 PRO 4 HD2 PRO 4 7.941 -2.213 10.139 54 HD3 PRO 4 HD1 PRO 4 8.572 -3.223 11.458 55 H ARG 5 HN ARG 5 2.992 -4.438 11.033 56 HA ARG 5 HA ARG 5 2.039 -3.158 8.694 57 HE ARG 5 HE ARG 5 2.978 -7.456 5.737 58 HB2 ARG 5 HB2 ARG 5 3.680 -5.109 7.947 59 HB3 ARG 5 HB1 ARG 5 2.253 -6.097 8.228 60 HG2 ARG 5 HG2 ARG 5 1.043 -5.052 6.539 61 HG3 ARG 5 HG1 ARG 5 2.114 -3.649 6.511 62 HD2 ARG 5 HD2 ARG 5 2.746 -4.800 4.603 63 HD3 ARG 5 HD1 ARG 5 3.925 -5.351 5.792 64 HH11 ARG 5 HH11 ARG 5 0.994 -5.218 3.931 65 HH12 ARG 5 HH12 ARG 5 0.038 -6.464 3.203 66 HH21 ARG 5 HH21 ARG 5 1.717 -9.090 4.780 67 HH22 ARG 5 HH22 ARG 5 0.446 -8.660 3.685 68 H THR 6 HN THR 6 -0.147 -3.877 8.104 69 HA THR 6 HA THR 6 -1.486 -5.264 10.333 70 HB THR 6 HB THR 6 -1.996 -2.883 10.394 71 HG1 THR 6 HG1 THR 6 -4.216 -4.286 9.334 72 HG21 THR 6 HG21 THR 6 -2.066 -3.090 7.565 73 HG22 THR 6 HG22 THR 6 -2.187 -1.651 8.576 74 HG23 THR 6 HG23 THR 6 -3.643 -2.542 8.131 75 H ALA 7 HN ALA 7 -3.449 -6.410 9.783 76 HA ALA 7 HA ALA 7 -3.193 -7.789 7.266 77 HB1 ALA 7 HB1 ALA 7 -5.373 -8.172 9.303 78 HB2 ALA 7 HB2 ALA 7 -3.767 -8.882 9.467 79 HB3 ALA 7 HB3 ALA 7 -4.790 -9.321 8.099 80 H PHE 8 HN PHE 8 -4.215 -7.314 5.444 81 HA PHE 8 HA PHE 8 -6.418 -5.384 5.517 82 HD1 PHE 8 HD2 PHE 8 -2.766 -5.893 4.768 83 HD2 PHE 8 HD1 PHE 8 -5.474 -2.882 3.459 84 HE1 PHE 8 HE2 PHE 8 -1.107 -4.164 5.326 85 HE2 PHE 8 HE1 PHE 8 -3.819 -1.147 4.015 86 HZ PHE 8 HZ PHE 8 -1.632 -1.788 4.950 87 HB2 PHE 8 HB2 PHE 8 -4.735 -6.344 3.192 88 HB3 PHE 8 HB1 PHE 8 -5.990 -5.114 3.098 89 H SER 9 HN SER 9 -7.747 -5.894 3.207 90 HA SER 9 HA SER 9 -8.831 -8.599 3.643 91 HG SER 9 HG SER 9 -11.153 -6.393 1.658 92 HB2 SER 9 HB2 SER 9 -11.008 -7.798 3.210 93 HB3 SER 9 HB1 SER 9 -10.285 -6.562 4.238 94 H SER 10 HN SER 10 -9.753 -9.665 1.773 95 HA SER 10 HA SER 10 -8.065 -9.780 -0.417 96 HG SER 10 HG SER 10 -8.758 -11.652 -1.779 97 HB2 SER 10 HB2 SER 10 -9.750 -11.518 0.267 98 HB3 SER 10 HB1 SER 10 -11.000 -10.509 -0.464 99 H GLU 11 HN GLU 11 -11.136 -8.039 -0.081 100 HA GLU 11 HA GLU 11 -11.203 -7.048 -2.727 101 HB2 GLU 11 HB2 GLU 11 -12.566 -6.261 -0.171 102 HB3 GLU 11 HB1 GLU 11 -12.765 -5.295 -1.627 103 HG2 GLU 11 HG2 GLU 11 -13.500 -7.414 -2.781 104 HG3 GLU 11 HG1 GLU 11 -13.557 -8.156 -1.182 105 H GLN 12 HN GLN 12 -9.863 -5.775 0.281 106 HA GLN 12 HA GLN 12 -9.241 -3.200 -0.720 107 HB2 GLN 12 HB2 GLN 12 -8.075 -4.790 1.569 108 HB3 GLN 12 HB1 GLN 12 -7.649 -3.119 1.229 109 HG2 GLN 12 HG2 GLN 12 -9.722 -2.323 1.850 110 HG3 GLN 12 HG1 GLN 12 -10.509 -3.881 1.601 111 HE21 GLN 12 HE21 GLN 12 -11.389 -3.294 3.752 112 HE22 GLN 12 HE22 GLN 12 -10.491 -3.770 5.148 113 H LEU 13 HN LEU 13 -7.337 -6.179 -0.409 114 HA LEU 13 HA LEU 13 -4.948 -5.100 -1.459 115 HG LEU 13 HG LEU 13 -5.223 -7.518 0.888 116 HB2 LEU 13 HB2 LEU 13 -5.998 -7.909 -1.224 117 HB3 LEU 13 HB1 LEU 13 -4.453 -7.569 -1.974 118 HD11 LEU 13 HD11 LEU 13 -3.851 -9.293 -0.124 119 HD12 LEU 13 HD12 LEU 13 -2.999 -8.424 1.154 120 HD13 LEU 13 HD13 LEU 13 -2.630 -8.088 -0.538 121 HD21 LEU 13 HD21 LEU 13 -3.376 -5.504 -0.355 122 HD22 LEU 13 HD22 LEU 13 -3.166 -6.052 1.307 123 HD23 LEU 13 HD23 LEU 13 -4.660 -5.248 0.828 124 H ALA 14 HN ALA 14 -7.769 -6.578 -2.937 125 HA ALA 14 HA ALA 14 -6.722 -6.954 -5.518 126 HB1 ALA 14 HB1 ALA 14 -8.712 -7.912 -5.744 127 HB2 ALA 14 HB2 ALA 14 -9.465 -6.317 -5.758 128 HB3 ALA 14 HB3 ALA 14 -9.262 -7.184 -4.235 129 H ARG 15 HN ARG 15 -8.562 -4.251 -4.120 130 HA ARG 15 HA ARG 15 -8.474 -2.643 -6.453 131 HE ARG 15 HE ARG 15 -12.050 1.248 -5.208 132 HB2 ARG 15 HB2 ARG 15 -10.013 -2.427 -4.402 133 HB3 ARG 15 HB1 ARG 15 -8.681 -1.555 -3.656 134 HG2 ARG 15 HG2 ARG 15 -8.733 -0.009 -5.644 135 HG3 ARG 15 HG1 ARG 15 -10.243 -0.796 -6.107 136 HD2 ARG 15 HD2 ARG 15 -10.281 -0.035 -3.322 137 HD3 ARG 15 HD1 ARG 15 -9.920 1.351 -4.350 138 HH11 ARG 15 HH11 ARG 15 -11.420 -1.619 -3.319 139 HH12 ARG 15 HH12 ARG 15 -13.065 -2.157 -3.358 140 HH21 ARG 15 HH21 ARG 15 -14.213 0.540 -5.258 141 HH22 ARG 15 HH22 ARG 15 -14.650 -0.932 -4.457 142 H LEU 16 HN LEU 16 -6.486 -2.755 -3.525 143 HA LEU 16 HA LEU 16 -4.805 -0.595 -4.151 144 HG LEU 16 HG LEU 16 -5.955 -1.000 -1.819 145 HB2 LEU 16 HB2 LEU 16 -4.355 -3.058 -2.470 146 HB3 LEU 16 HB1 LEU 16 -3.193 -1.752 -2.583 147 HD11 LEU 16 HD11 LEU 16 -6.116 -2.263 -0.007 148 HD12 LEU 16 HD12 LEU 16 -4.548 -1.690 0.559 149 HD13 LEU 16 HD13 LEU 16 -4.644 -3.113 -0.477 150 HD21 LEU 16 HD21 LEU 16 -4.915 0.737 -0.722 151 HD22 LEU 16 HD22 LEU 16 -3.804 0.456 -2.062 152 HD23 LEU 16 HD23 LEU 16 -3.430 -0.177 -0.459 153 H LYS 17 HN LYS 17 -4.645 -4.023 -4.967 154 HA LYS 17 HA LYS 17 -2.064 -4.029 -6.091 155 HB2 LYS 17 HB2 LYS 17 -3.887 -5.956 -5.571 156 HB3 LYS 17 HB1 LYS 17 -4.092 -5.811 -7.308 157 HG2 LYS 17 HG2 LYS 17 -1.978 -6.580 -7.759 158 HG3 LYS 17 HG1 LYS 17 -1.346 -6.081 -6.189 159 HD2 LYS 17 HD2 LYS 17 -3.342 -7.956 -5.622 160 HD3 LYS 17 HD1 LYS 17 -2.460 -8.617 -7.000 161 HE2 LYS 17 HE2 LYS 17 -1.482 -9.368 -4.900 162 HE3 LYS 17 HE1 LYS 17 -0.355 -8.342 -5.786 163 HZ1 LYS 17 HZ1 LYS 17 -0.257 -6.968 -4.069 164 HZ2 LYS 17 HZ2 LYS 17 -1.225 -8.027 -3.176 165 HZ3 LYS 17 HZ3 LYS 17 -1.937 -6.767 -4.051 166 H ARG 18 HN ARG 18 -5.270 -3.550 -7.541 167 HA ARG 18 HA ARG 18 -4.437 -3.306 -10.203 168 HE ARG 18 HE ARG 18 -7.448 -4.881 -12.712 169 HB2 ARG 18 HB2 ARG 18 -6.850 -3.224 -8.868 170 HB3 ARG 18 HB1 ARG 18 -6.697 -1.587 -9.490 171 HG2 ARG 18 HG2 ARG 18 -7.128 -2.228 -11.577 172 HG3 ARG 18 HG1 ARG 18 -6.024 -3.602 -11.473 173 HD2 ARG 18 HD2 ARG 18 -7.868 -4.693 -10.041 174 HD3 ARG 18 HD1 ARG 18 -8.920 -3.447 -10.709 175 HH11 ARG 18 HH11 ARG 18 -10.314 -4.912 -10.720 176 HH12 ARG 18 HH12 ARG 18 -11.203 -5.935 -11.797 177 HH21 ARG 18 HH21 ARG 18 -8.617 -6.227 -14.130 178 HH22 ARG 18 HH22 ARG 18 -10.240 -6.682 -13.733 179 H GLU 19 HN GLU 19 -4.778 -0.885 -7.647 180 HA GLU 19 HA GLU 19 -4.152 1.346 -9.290 181 HB2 GLU 19 HB2 GLU 19 -4.483 0.835 -6.394 182 HB3 GLU 19 HB1 GLU 19 -3.466 2.206 -6.818 183 HG2 GLU 19 HG2 GLU 19 -6.130 1.924 -8.116 184 HG3 GLU 19 HG1 GLU 19 -6.038 2.496 -6.451 185 H PHE 20 HN PHE 20 -2.250 -0.837 -7.293 186 HA PHE 20 HA PHE 20 0.184 0.577 -7.389 187 HD1 PHE 20 HD2 PHE 20 2.008 -2.742 -8.273 188 HD2 PHE 20 HD1 PHE 20 1.574 -0.417 -4.736 189 HE1 PHE 20 HE2 PHE 20 4.430 -2.901 -7.877 190 HE2 PHE 20 HE1 PHE 20 3.997 -0.570 -4.334 191 HZ PHE 20 HZ PHE 20 5.428 -1.814 -5.905 192 HB2 PHE 20 HB2 PHE 20 -0.334 -1.305 -5.826 193 HB3 PHE 20 HB1 PHE 20 -0.184 -2.418 -7.182 194 H ASN 21 HN ASN 21 -1.293 -1.764 -9.561 195 HA ASN 21 HA ASN 21 0.942 -2.245 -11.199 196 HB2 ASN 21 HB2 ASN 21 -2.025 -2.476 -11.613 197 HB3 ASN 21 HB1 ASN 21 -0.911 -2.760 -12.948 198 HD21 ASN 21 HD21 ASN 21 1.120 -4.094 -11.914 199 HD22 ASN 21 HD22 ASN 21 0.610 -5.585 -11.204 200 H GLU 22 HN GLU 22 -1.352 0.375 -11.077 201 HA GLU 22 HA GLU 22 -0.543 1.477 -13.626 202 HB2 GLU 22 HB2 GLU 22 -2.187 2.797 -11.462 203 HB3 GLU 22 HB1 GLU 22 -2.101 3.253 -13.159 204 HG2 GLU 22 HG2 GLU 22 -2.906 0.630 -13.269 205 HG3 GLU 22 HG1 GLU 22 -3.735 1.242 -11.838 206 H ASN 23 HN ASN 23 0.124 1.950 -10.230 207 HA ASN 23 HA ASN 23 2.524 3.419 -10.851 208 HB2 ASN 23 HB2 ASN 23 1.959 5.361 -9.419 209 HB3 ASN 23 HB1 ASN 23 0.925 5.258 -10.841 210 HD21 ASN 23 HD21 ASN 23 -1.192 4.233 -10.529 211 HD22 ASN 23 HD22 ASN 23 -2.006 4.472 -9.024 212 H ARG 24 HN ARG 24 4.009 2.536 -9.575 213 HA ARG 24 HA ARG 24 3.302 0.963 -7.302 214 HE ARG 24 HE ARG 24 5.777 -2.047 -10.580 215 HB2 ARG 24 HB2 ARG 24 6.047 1.876 -8.170 216 HB3 ARG 24 HB1 ARG 24 5.681 0.548 -7.078 217 HG2 ARG 24 HG2 ARG 24 4.504 -0.589 -8.945 218 HG3 ARG 24 HG1 ARG 24 5.048 0.703 -10.015 219 HD2 ARG 24 HD2 ARG 24 7.377 0.154 -9.464 220 HD3 ARG 24 HD1 ARG 24 6.816 -1.162 -8.436 221 HH11 ARG 24 HH11 ARG 24 8.728 -0.169 -10.530 222 HH12 ARG 24 HH12 ARG 24 9.333 -0.863 -11.994 223 HH21 ARG 24 HH21 ARG 24 6.582 -2.953 -12.499 224 HH22 ARG 24 HH22 ARG 24 8.119 -2.440 -13.111 225 H TYR 25 HN TYR 25 3.586 4.259 -7.626 226 HA TYR 25 HA TYR 25 4.518 4.619 -4.865 227 HD1 TYR 25 HD1 TYR 25 7.301 5.783 -5.325 228 HD2 TYR 25 HD2 TYR 25 5.020 5.781 -8.915 229 HE1 TYR 25 HE1 TYR 25 9.304 5.121 -6.590 230 HE2 TYR 25 HE2 TYR 25 7.015 5.120 -10.191 231 HH TYR 25 HH TYR 25 9.382 5.122 -10.044 232 HB2 TYR 25 HB2 TYR 25 4.155 6.812 -6.902 233 HB3 TYR 25 HB1 TYR 25 5.106 6.849 -5.421 234 H LEU 26 HN LEU 26 3.411 6.894 -4.063 235 HA LEU 26 HA LEU 26 0.561 6.854 -4.635 236 HG LEU 26 HG LEU 26 0.395 4.212 -3.113 237 HB2 LEU 26 HB2 LEU 26 1.775 5.816 -2.162 238 HB3 LEU 26 HB1 LEU 26 0.462 6.947 -1.909 239 HD11 LEU 26 HD11 LEU 26 -0.108 4.572 -0.733 240 HD12 LEU 26 HD12 LEU 26 -1.507 3.972 -1.626 241 HD13 LEU 26 HD13 LEU 26 -1.406 5.679 -1.190 242 HD21 LEU 26 HD21 LEU 26 -2.113 5.030 -3.599 243 HD22 LEU 26 HD22 LEU 26 -0.838 5.033 -4.820 244 HD23 LEU 26 HD23 LEU 26 -1.238 6.518 -3.959 245 H THR 27 HN THR 27 -0.278 8.829 -4.604 246 HA THR 27 HA THR 27 1.367 11.030 -3.607 247 HB THR 27 HB THR 27 0.067 12.467 -4.962 248 HG1 THR 27 HG1 THR 27 -1.935 11.983 -5.690 249 HG21 THR 27 HG21 THR 27 1.245 10.257 -6.142 250 HG22 THR 27 HG22 THR 27 0.761 11.755 -6.936 251 HG23 THR 27 HG23 THR 27 -0.341 10.378 -6.903 252 H GLU 28 HN GLU 28 0.138 12.861 -2.512 253 HA GLU 28 HA GLU 28 -0.994 11.968 -0.126 254 HB2 GLU 28 HB2 GLU 28 0.001 14.253 -0.611 255 HB3 GLU 28 HB1 GLU 28 -1.533 14.668 -1.364 256 HG2 GLU 28 HG2 GLU 28 -1.984 13.555 1.240 257 HG3 GLU 28 HG1 GLU 28 -0.828 14.884 1.334 258 H ARG 29 HN ARG 29 -2.595 13.354 -2.981 259 HA ARG 29 HA ARG 29 -5.230 13.100 -2.060 260 HE ARG 29 HE ARG 29 -5.387 16.207 -5.198 261 HB2 ARG 29 HB2 ARG 29 -4.215 14.313 -4.164 262 HB3 ARG 29 HB1 ARG 29 -4.591 12.793 -4.965 263 HG2 ARG 29 HG2 ARG 29 -6.520 13.926 -5.366 264 HG3 ARG 29 HG1 ARG 29 -6.940 13.173 -3.826 265 HD2 ARG 29 HD2 ARG 29 -7.530 15.571 -3.921 266 HD3 ARG 29 HD1 ARG 29 -6.385 15.190 -2.636 267 HH11 ARG 29 HH11 ARG 29 -5.894 16.676 -1.769 268 HH12 ARG 29 HH12 ARG 29 -4.814 18.024 -1.674 269 HH21 ARG 29 HH21 ARG 29 -3.973 17.979 -5.063 270 HH22 ARG 29 HH22 ARG 29 -3.726 18.765 -3.539 271 H ARG 30 HN ARG 30 -3.108 10.832 -3.726 272 HA ARG 30 HA ARG 30 -5.079 8.894 -4.317 273 HE ARG 30 HE ARG 30 -3.471 9.855 -6.486 274 HB2 ARG 30 HB2 ARG 30 -2.453 9.234 -4.962 275 HB3 ARG 30 HB1 ARG 30 -2.348 7.926 -3.795 276 HG2 ARG 30 HG2 ARG 30 -2.959 6.474 -5.344 277 HG3 ARG 30 HG1 ARG 30 -4.478 7.340 -5.577 278 HD2 ARG 30 HD2 ARG 30 -1.858 7.801 -6.991 279 HD3 ARG 30 HD1 ARG 30 -3.369 7.218 -7.688 280 HH11 ARG 30 HH11 ARG 30 -3.046 7.991 -9.410 281 HH12 ARG 30 HH12 ARG 30 -3.449 9.311 -10.454 282 HH21 ARG 30 HH21 ARG 30 -3.995 11.588 -7.861 283 HH22 ARG 30 HH22 ARG 30 -3.986 11.351 -9.577 284 H ARG 31 HN ARG 31 -2.793 9.249 -1.637 285 HA ARG 31 HA ARG 31 -3.451 6.888 -0.282 286 HE ARG 31 HE ARG 31 -1.041 9.540 3.398 287 HB2 ARG 31 HB2 ARG 31 -1.496 8.542 0.087 288 HB3 ARG 31 HB1 ARG 31 -2.617 9.411 1.125 289 HG2 ARG 31 HG2 ARG 31 -2.717 7.683 2.674 290 HG3 ARG 31 HG1 ARG 31 -2.103 6.491 1.527 291 HD2 ARG 31 HD2 ARG 31 -0.429 7.126 3.219 292 HD3 ARG 31 HD1 ARG 31 0.081 7.511 1.578 293 HH11 ARG 31 HH11 ARG 31 1.399 8.514 1.106 294 HH12 ARG 31 HH12 ARG 31 2.205 10.043 1.102 295 HH21 ARG 31 HH21 ARG 31 0.027 11.544 3.380 296 HH22 ARG 31 HH22 ARG 31 1.430 11.759 2.389 297 H GLN 32 HN GLN 32 -4.565 10.223 0.323 298 HA GLN 32 HA GLN 32 -6.388 9.604 2.353 299 HB2 GLN 32 HB2 GLN 32 -5.554 11.890 1.776 300 HB3 GLN 32 HB1 GLN 32 -6.604 11.870 0.365 301 HG2 GLN 32 HG2 GLN 32 -8.541 11.558 1.907 302 HG3 GLN 32 HG1 GLN 32 -7.430 11.806 3.255 303 HE21 GLN 32 HE21 GLN 32 -8.393 13.325 0.197 304 HE22 GLN 32 HE22 GLN 32 -8.338 14.948 0.787 305 H GLN 33 HN GLN 33 -6.785 9.738 -1.154 306 HA GLN 33 HA GLN 33 -9.593 9.369 -1.159 307 HB2 GLN 33 HB2 GLN 33 -7.456 8.925 -3.236 308 HB3 GLN 33 HB1 GLN 33 -9.149 8.573 -3.557 309 HG2 GLN 33 HG2 GLN 33 -8.313 11.261 -2.550 310 HG3 GLN 33 HG1 GLN 33 -8.189 10.852 -4.261 311 HE21 GLN 33 HE21 GLN 33 -10.231 9.895 -5.196 312 HE22 GLN 33 HE22 GLN 33 -11.719 10.644 -4.735 313 H LEU 34 HN LEU 34 -6.876 7.112 -1.550 314 HA LEU 34 HA LEU 34 -8.424 4.783 -1.863 315 HG LEU 34 HG LEU 34 -6.916 3.069 -2.741 316 HB2 LEU 34 HB2 LEU 34 -5.626 5.451 -1.408 317 HB3 LEU 34 HB1 LEU 34 -6.090 3.977 -0.583 318 HD11 LEU 34 HD11 LEU 34 -5.883 4.352 -4.765 319 HD12 LEU 34 HD12 LEU 34 -6.002 5.744 -3.689 320 HD13 LEU 34 HD13 LEU 34 -7.450 4.833 -4.115 321 HD21 LEU 34 HD21 LEU 34 -4.856 2.201 -2.375 322 HD22 LEU 34 HD22 LEU 34 -4.100 3.783 -2.184 323 HD23 LEU 34 HD23 LEU 34 -4.465 3.170 -3.796 324 H SER 35 HN SER 35 -7.274 6.521 0.951 325 HA SER 35 HA SER 35 -7.805 4.598 2.919 326 HG SER 35 HG SER 35 -8.665 8.009 4.335 327 HB2 SER 35 HB2 SER 35 -7.460 6.309 4.474 328 HB3 SER 35 HB1 SER 35 -6.571 6.896 3.071 329 H SER 36 HN SER 36 -9.783 7.293 1.737 330 HA SER 36 HA SER 36 -12.063 6.622 3.298 331 HG SER 36 HG SER 36 -13.172 8.463 3.477 332 HB2 SER 36 HB2 SER 36 -11.351 8.844 1.990 333 HB3 SER 36 HB1 SER 36 -12.412 8.145 0.767 334 H GLU 37 HN GLU 37 -11.041 5.831 0.024 335 HA GLU 37 HA GLU 37 -13.491 4.725 -0.846 336 HB2 GLU 37 HB2 GLU 37 -10.823 5.044 -1.879 337 HB3 GLU 37 HB1 GLU 37 -11.411 3.425 -2.232 338 HG2 GLU 37 HG2 GLU 37 -13.249 4.242 -3.447 339 HG3 GLU 37 HG1 GLU 37 -13.031 5.878 -2.827 340 H LEU 38 HN LEU 38 -10.552 3.157 0.432 341 HA LEU 38 HA LEU 38 -11.865 0.578 0.430 342 HG LEU 38 HG LEU 38 -9.526 1.104 -1.198 343 HB2 LEU 38 HB2 LEU 38 -9.125 1.525 1.217 344 HB3 LEU 38 HB1 LEU 38 -9.665 -0.108 1.564 345 HD11 LEU 38 HD11 LEU 38 -7.756 -1.118 -0.668 346 HD12 LEU 38 HD12 LEU 38 -7.419 0.247 0.395 347 HD13 LEU 38 HD13 LEU 38 -7.403 0.467 -1.354 348 HD21 LEU 38 HD21 LEU 38 -9.628 -1.484 -1.672 349 HD22 LEU 38 HD22 LEU 38 -11.098 -0.539 -1.438 350 HD23 LEU 38 HD23 LEU 38 -10.452 -1.507 -0.113 351 H GLY 39 HN GLY 39 -11.158 3.112 2.711 352 HA2 GLY 39 HA2 GLY 39 -12.316 3.386 4.747 353 HA3 GLY 39 HA1 GLY 39 -12.734 1.680 4.713 354 H LEU 40 HN LEU 40 -9.491 2.949 4.251 355 HA LEU 40 HA LEU 40 -8.743 1.849 6.880 356 HG LEU 40 HG LEU 40 -9.037 -0.166 5.467 357 HB2 LEU 40 HB2 LEU 40 -7.217 1.664 4.283 358 HB3 LEU 40 HB1 LEU 40 -6.560 1.217 5.845 359 HD11 LEU 40 HD11 LEU 40 -9.062 -0.843 3.358 360 HD12 LEU 40 HD12 LEU 40 -7.383 -1.371 3.461 361 HD13 LEU 40 HD13 LEU 40 -7.758 0.293 3.013 362 HD21 LEU 40 HD21 LEU 40 -7.793 -2.024 6.089 363 HD22 LEU 40 HD22 LEU 40 -6.920 -0.691 6.844 364 HD23 LEU 40 HD23 LEU 40 -6.316 -1.406 5.351 365 H ASN 41 HN ASN 41 -6.413 2.666 7.453 366 HA ASN 41 HA ASN 41 -6.578 5.549 7.440 367 HB2 ASN 41 HB2 ASN 41 -5.458 3.566 9.149 368 HB3 ASN 41 HB1 ASN 41 -4.159 4.649 8.659 369 HD21 ASN 41 HD21 ASN 41 -7.594 5.293 9.197 370 HD22 ASN 41 HD22 ASN 41 -7.358 6.460 10.449 371 H GLU 42 HN GLU 42 -5.166 6.980 6.517 372 HA GLU 42 HA GLU 42 -3.999 6.403 4.087 373 HB2 GLU 42 HB2 GLU 42 -3.430 8.591 6.079 374 HB3 GLU 42 HB1 GLU 42 -2.634 8.526 4.512 375 HG2 GLU 42 HG2 GLU 42 -4.340 9.749 3.784 376 HG3 GLU 42 HG1 GLU 42 -5.270 8.252 3.839 377 H ALA 43 HN ALA 43 -2.511 6.415 7.294 378 HA ALA 43 HA ALA 43 0.143 5.987 6.474 379 HB1 ALA 43 HB1 ALA 43 0.646 5.646 8.704 380 HB2 ALA 43 HB2 ALA 43 -0.902 4.868 9.041 381 HB3 ALA 43 HB3 ALA 43 -0.826 6.614 8.801 382 H GLN 44 HN GLN 44 -2.532 3.775 7.032 383 HA GLN 44 HA GLN 44 -0.989 1.392 6.972 384 HB2 GLN 44 HB2 GLN 44 -3.916 1.764 6.306 385 HB3 GLN 44 HB1 GLN 44 -3.126 0.241 6.692 386 HG2 GLN 44 HG2 GLN 44 -2.612 1.107 8.938 387 HG3 GLN 44 HG1 GLN 44 -3.486 2.586 8.543 388 HE21 GLN 44 HE21 GLN 44 -4.822 2.090 10.367 389 HE22 GLN 44 HE22 GLN 44 -6.113 0.953 10.211 390 H ILE 45 HN ILE 45 -2.760 3.222 4.513 391 HA ILE 45 HA ILE 45 -2.324 1.382 2.401 392 HB ILE 45 HB ILE 45 -2.690 4.364 2.112 393 HG12 ILE 45 HG12 ILE 45 -5.034 2.595 1.837 394 HG13 ILE 45 HG11 ILE 45 -4.414 2.752 3.477 395 HG21 ILE 45 HG21 ILE 45 -3.423 2.097 0.265 396 HG22 ILE 45 HG22 ILE 45 -1.995 3.118 0.097 397 HG23 ILE 45 HG23 ILE 45 -3.604 3.821 -0.057 398 HD11 ILE 45 HD11 ILE 45 -5.984 4.583 1.934 399 HD12 ILE 45 HD12 ILE 45 -4.484 5.347 2.458 400 HD13 ILE 45 HD13 ILE 45 -5.570 4.626 3.647 401 H LYS 46 HN LYS 46 -0.551 4.203 3.577 402 HA LYS 46 HA LYS 46 1.371 4.367 1.552 403 HB2 LYS 46 HB2 LYS 46 0.852 5.726 3.898 404 HB3 LYS 46 HB1 LYS 46 2.399 4.959 4.230 405 HG2 LYS 46 HG2 LYS 46 2.700 6.004 1.682 406 HG3 LYS 46 HG1 LYS 46 1.778 7.230 2.550 407 HD2 LYS 46 HD2 LYS 46 4.172 6.006 3.846 408 HD3 LYS 46 HD1 LYS 46 4.393 7.250 2.613 409 HE2 LYS 46 HE2 LYS 46 2.396 7.829 4.709 410 HE3 LYS 46 HE1 LYS 46 4.078 7.779 5.234 411 HZ1 LYS 46 HZ1 LYS 46 3.999 9.246 2.872 412 HZ2 LYS 46 HZ2 LYS 46 4.316 9.814 4.434 413 HZ3 LYS 46 HZ3 LYS 46 2.733 9.820 3.839 414 H ILE 47 HN ILE 47 1.362 2.539 4.594 415 HA ILE 47 HA ILE 47 3.939 1.436 4.322 416 HB ILE 47 HB ILE 47 1.562 0.242 5.758 417 HG12 ILE 47 HG12 ILE 47 3.757 1.730 7.133 418 HG13 ILE 47 HG11 ILE 47 2.501 2.654 6.317 419 HG21 ILE 47 HG21 ILE 47 3.496 -1.293 5.296 420 HG22 ILE 47 HG22 ILE 47 3.116 -1.064 7.003 421 HG23 ILE 47 HG23 ILE 47 4.490 -0.225 6.284 422 HD11 ILE 47 HD11 ILE 47 1.207 0.679 7.853 423 HD12 ILE 47 HD12 ILE 47 1.221 2.424 8.103 424 HD13 ILE 47 HD13 ILE 47 2.442 1.413 8.874 425 H TRP 48 HN TRP 48 0.753 0.297 3.259 426 HA TRP 48 HA TRP 48 1.537 -2.247 2.385 427 HD1 TRP 48 HD1 TRP 48 -0.942 -4.169 2.202 428 HE1 TRP 48 HE1 TRP 48 -1.453 -5.561 0.100 429 HE3 TRP 48 HE3 TRP 48 -0.339 -0.531 -1.353 430 HZ2 TRP 48 HZ2 TRP 48 -1.585 -5.175 -2.692 431 HZ3 TRP 48 HZ3 TRP 48 -0.674 -1.134 -3.715 432 HH2 TRP 48 HH2 TRP 48 -1.283 -3.406 -4.368 433 HB2 TRP 48 HB2 TRP 48 -0.827 -1.528 2.614 434 HB3 TRP 48 HB1 TRP 48 -0.628 -0.493 1.202 435 H PHE 49 HN PHE 49 1.349 0.829 0.623 436 HA PHE 49 HA PHE 49 2.217 -0.191 -1.856 437 HD1 PHE 49 HD2 PHE 49 -0.533 1.855 -1.267 438 HD2 PHE 49 HD1 PHE 49 2.563 2.072 -4.177 439 HE1 PHE 49 HE2 PHE 49 -2.223 1.918 -3.056 440 HE2 PHE 49 HE1 PHE 49 0.880 2.134 -5.965 441 HZ PHE 49 HZ PHE 49 -1.515 2.058 -5.411 442 HB2 PHE 49 HB2 PHE 49 1.759 2.447 -0.659 443 HB3 PHE 49 HB1 PHE 49 3.040 2.435 -1.867 444 H GLN 50 HN GLN 50 3.970 1.354 0.814 445 HA GLN 50 HA GLN 50 6.510 1.310 -0.399 446 HB2 GLN 50 HB2 GLN 50 5.439 1.727 2.322 447 HB3 GLN 50 HB1 GLN 50 7.103 1.163 2.250 448 HG2 GLN 50 HG2 GLN 50 6.809 3.241 0.346 449 HG3 GLN 50 HG1 GLN 50 6.093 3.784 1.862 450 HE21 GLN 50 HE21 GLN 50 7.699 2.488 3.683 451 HE22 GLN 50 HE22 GLN 50 9.303 3.122 3.584 452 H ASN 51 HN ASN 51 4.803 -1.022 1.633 453 HA ASN 51 HA ASN 51 6.986 -2.834 1.866 454 HB2 ASN 51 HB2 ASN 51 4.524 -2.606 3.070 455 HB3 ASN 51 HB1 ASN 51 4.307 -4.021 2.047 456 HD21 ASN 51 HD21 ASN 51 6.842 -2.662 4.130 457 HD22 ASN 51 HD22 ASN 51 7.193 -4.141 4.952 458 H LYS 52 HN LYS 52 4.314 -2.481 -0.396 459 HA LYS 52 HA LYS 52 4.663 -4.950 -1.730 460 HB2 LYS 52 HB2 LYS 52 2.866 -2.839 -1.879 461 HB3 LYS 52 HB1 LYS 52 3.677 -2.802 -3.437 462 HG2 LYS 52 HG2 LYS 52 2.843 -5.471 -2.562 463 HG3 LYS 52 HG1 LYS 52 1.522 -4.334 -2.845 464 HD2 LYS 52 HD2 LYS 52 1.902 -4.242 -5.076 465 HD3 LYS 52 HD1 LYS 52 3.651 -4.399 -4.892 466 HE2 LYS 52 HE2 LYS 52 3.291 -6.806 -4.322 467 HE3 LYS 52 HE1 LYS 52 1.591 -6.594 -4.735 468 HZ1 LYS 52 HZ1 LYS 52 3.119 -7.499 -6.525 469 HZ2 LYS 52 HZ2 LYS 52 3.746 -5.933 -6.649 470 HZ3 LYS 52 HZ3 LYS 52 2.108 -6.215 -6.965 471 H ARG 53 HN ARG 53 5.973 -1.713 -2.268 472 HA ARG 53 HA ARG 53 7.301 -2.281 -4.692 473 HE ARG 53 HE ARG 53 6.415 1.946 -3.687 474 HB2 ARG 53 HB2 ARG 53 6.950 -0.049 -3.035 475 HB3 ARG 53 HB1 ARG 53 8.688 -0.304 -3.092 476 HG2 ARG 53 HG2 ARG 53 8.563 -0.306 -5.564 477 HG3 ARG 53 HG1 ARG 53 6.845 0.080 -5.440 478 HD2 ARG 53 HD2 ARG 53 9.180 1.746 -4.531 479 HD3 ARG 53 HD1 ARG 53 8.017 2.124 -5.800 480 HH11 ARG 53 HH11 ARG 53 9.479 3.580 -4.059 481 HH12 ARG 53 HH12 ARG 53 9.108 4.803 -2.892 482 HH21 ARG 53 HH21 ARG 53 5.928 3.556 -2.155 483 HH22 ARG 53 HH22 ARG 53 7.093 4.790 -1.812 484 H ALA 54 HN ALA 54 8.227 -2.597 -1.316 485 HA ALA 54 HA ALA 54 10.965 -3.157 -1.745 486 HB1 ALA 54 HB1 ALA 54 10.011 -2.466 0.429 487 HB2 ALA 54 HB2 ALA 54 10.998 -3.923 0.543 488 HB3 ALA 54 HB3 ALA 54 9.238 -4.046 0.563 489 H LYS 55 HN LYS 55 8.115 -5.040 -2.164 490 HA LYS 55 HA LYS 55 9.327 -7.612 -1.872 491 HB2 LYS 55 HB2 LYS 55 6.798 -6.879 -3.357 492 HB3 LYS 55 HB1 LYS 55 7.261 -8.483 -2.805 493 HG2 LYS 55 HG2 LYS 55 7.338 -7.176 -0.470 494 HG3 LYS 55 HG1 LYS 55 6.117 -6.217 -1.308 495 HD2 LYS 55 HD2 LYS 55 5.724 -9.081 -1.649 496 HD3 LYS 55 HD1 LYS 55 5.685 -8.586 0.045 497 HE2 LYS 55 HE2 LYS 55 3.897 -7.112 -0.313 498 HE3 LYS 55 HE1 LYS 55 4.124 -7.123 -2.061 499 HZ1 LYS 55 HZ1 LYS 55 2.420 -8.568 -1.967 500 HZ2 LYS 55 HZ2 LYS 55 2.719 -9.013 -0.364 501 HZ3 LYS 55 HZ3 LYS 55 3.632 -9.696 -1.614 502 H ILE 56 HN ILE 56 8.698 -5.428 -4.562 503 HA ILE 56 HA ILE 56 9.698 -7.325 -6.512 504 HB ILE 56 HB ILE 56 9.047 -4.412 -6.955 505 HG12 ILE 56 HG12 ILE 56 7.138 -6.596 -7.668 506 HG13 ILE 56 HG11 ILE 56 7.207 -6.067 -5.990 507 HG21 ILE 56 HG21 ILE 56 8.575 -5.354 -9.290 508 HG22 ILE 56 HG22 ILE 56 9.480 -6.770 -8.756 509 HG23 ILE 56 HG23 ILE 56 10.259 -5.188 -8.793 510 HD11 ILE 56 HD11 ILE 56 6.490 -4.448 -8.410 511 HD12 ILE 56 HD12 ILE 56 6.845 -3.726 -6.841 512 HD13 ILE 56 HD13 ILE 56 5.485 -4.835 -7.014 513 H LYS 57 HN LYS 57 10.655 -4.105 -5.325 514 HA LYS 57 HA LYS 57 12.668 -3.058 -5.210 515 HB2 LYS 57 HB2 LYS 57 13.121 -5.591 -4.296 516 HB3 LYS 57 HB1 LYS 57 14.300 -5.477 -5.594 517 HG2 LYS 57 HG2 LYS 57 15.394 -3.657 -4.587 518 HG3 LYS 57 HG1 LYS 57 14.058 -3.375 -3.468 519 HD2 LYS 57 HD2 LYS 57 14.534 -5.483 -2.344 520 HD3 LYS 57 HD1 LYS 57 15.836 -5.814 -3.488 521 HE2 LYS 57 HE2 LYS 57 16.512 -3.335 -2.571 522 HE3 LYS 57 HE1 LYS 57 15.784 -4.062 -1.139 523 HZ1 LYS 57 HZ1 LYS 57 18.100 -4.542 -1.127 524 HZ2 LYS 57 HZ2 LYS 57 18.064 -5.118 -2.717 525 HZ3 LYS 57 HZ3 LYS 57 17.291 -5.985 -1.487 526 H LYS 58 HN LYS 58 14.824 -2.782 -6.417 527 HA LYS 58 HA LYS 58 14.275 -3.114 -9.287 528 HB2 LYS 58 HB2 LYS 58 15.824 -1.210 -9.608 529 HB3 LYS 58 HB1 LYS 58 14.439 -0.795 -8.608 530 HG2 LYS 58 HG2 LYS 58 16.928 -1.688 -7.255 531 HG3 LYS 58 HG1 LYS 58 16.886 -0.070 -7.960 532 HD2 LYS 58 HD2 LYS 58 15.489 0.709 -6.382 533 HD3 LYS 58 HD1 LYS 58 14.508 -0.757 -6.393 534 HE2 LYS 58 HE2 LYS 58 16.246 -1.890 -5.055 535 HE3 LYS 58 HE1 LYS 58 17.153 -0.380 -4.994 536 HZ1 LYS 58 HZ1 LYS 58 15.853 0.401 -3.382 537 HZ2 LYS 58 HZ2 LYS 58 15.286 -1.181 -3.193 538 HZ3 LYS 58 HZ3 LYS 58 14.426 -0.085 -4.152 539 H SER 59 HN SER 59 16.543 -3.816 -6.755 540 HA SER 59 HA SER 59 18.089 -5.435 -8.634 541 HG SER 59 HG SER 59 19.969 -4.237 -9.470 542 HB2 SER 59 HB2 SER 59 19.153 -3.188 -6.965 543 HB3 SER 59 HB1 SER 59 20.172 -4.599 -7.253 Start of MODEL 24 1 HA MET -1 HA MET -1 1.905 -6.975 17.604 2 H1 MET -1 HT1 MET -1 0.108 -5.287 18.788 3 H2 MET -1 HT2 MET -1 -0.768 -6.713 18.410 4 H3 MET -1 HT3 MET -1 0.099 -5.885 17.183 5 HB2 MET -1 HB2 MET -1 2.049 -5.243 19.503 6 HB3 MET -1 HB1 MET -1 1.555 -6.552 20.568 7 HG2 MET -1 HG2 MET -1 3.637 -7.621 19.077 8 HG3 MET -1 HG1 MET -1 4.142 -5.969 19.428 9 HE1 MET -1 HE1 MET -1 3.466 -4.961 21.656 10 HE2 MET -1 HE2 MET -1 5.053 -5.366 22.312 11 HE3 MET -1 HE3 MET -1 3.594 -5.772 23.216 12 H ASP 0 HN ASP 0 0.017 -7.775 20.527 13 HA ASP 0 HA ASP 0 0.693 -10.492 20.545 14 HB2 ASP 0 HB2 ASP 0 -0.558 -8.872 22.291 15 HB3 ASP 0 HB1 ASP 0 -1.959 -9.711 21.633 16 H GLU 1 HN GLU 1 -1.562 -12.000 20.696 17 HA GLU 1 HA GLU 1 -2.353 -12.148 17.896 18 HB2 GLU 1 HB2 GLU 1 -2.572 -14.045 20.224 19 HB3 GLU 1 HB1 GLU 1 -3.423 -14.339 18.714 20 HG2 GLU 1 HG2 GLU 1 -0.924 -13.865 17.799 21 HG3 GLU 1 HG1 GLU 1 -0.575 -14.601 19.363 22 H LYS 2 HN LYS 2 -3.454 -9.983 19.272 23 HA LYS 2 HA LYS 2 -6.296 -10.748 19.379 24 HB2 LYS 2 HB2 LYS 2 -4.672 -9.069 21.215 25 HB3 LYS 2 HB1 LYS 2 -6.302 -8.510 20.863 26 HG2 LYS 2 HG2 LYS 2 -6.116 -11.353 21.549 27 HG3 LYS 2 HG1 LYS 2 -5.646 -10.246 22.841 28 HD2 LYS 2 HD2 LYS 2 -7.831 -9.000 22.261 29 HD3 LYS 2 HD1 LYS 2 -8.279 -10.490 21.428 30 HE2 LYS 2 HE2 LYS 2 -7.543 -11.584 23.708 31 HE3 LYS 2 HE1 LYS 2 -7.889 -9.974 24.336 32 HZ1 LYS 2 HZ1 LYS 2 -9.705 -11.977 23.891 33 HZ2 LYS 2 HZ2 LYS 2 -9.965 -10.899 22.615 34 HZ3 LYS 2 HZ3 LYS 2 -10.060 -10.354 24.213 35 H ARG 3 HN ARG 3 -4.247 -7.842 19.106 36 HA ARG 3 HA ARG 3 -5.891 -7.005 16.812 37 HE ARG 3 HE ARG 3 -3.744 -3.511 21.808 38 HB2 ARG 3 HB2 ARG 3 -5.575 -4.667 17.525 39 HB3 ARG 3 HB1 ARG 3 -6.443 -5.612 18.727 40 HG2 ARG 3 HG2 ARG 3 -4.054 -5.936 19.751 41 HG3 ARG 3 HG1 ARG 3 -3.697 -4.472 18.831 42 HD2 ARG 3 HD2 ARG 3 -5.189 -3.187 20.047 43 HD3 ARG 3 HD1 ARG 3 -6.124 -4.587 20.572 44 HH11 ARG 3 HH11 ARG 3 -5.864 -6.271 21.519 45 HH12 ARG 3 HH12 ARG 3 -5.395 -6.946 23.043 46 HH21 ARG 3 HH21 ARG 3 -3.126 -4.401 23.810 47 HH22 ARG 3 HH22 ARG 3 -3.841 -5.886 24.343 48 HA PRO 4 HA PRO 4 -1.664 -7.305 15.152 49 HB2 PRO 4 HB2 PRO 4 -2.427 -7.256 12.540 50 HB3 PRO 4 HB1 PRO 4 -2.452 -8.721 13.529 51 HG2 PRO 4 HG2 PRO 4 -4.700 -6.873 12.824 52 HG3 PRO 4 HG1 PRO 4 -4.676 -8.646 12.851 53 HD2 PRO 4 HD2 PRO 4 -5.749 -7.191 14.854 54 HD3 PRO 4 HD1 PRO 4 -4.930 -8.738 15.145 55 H ARG 5 HN ARG 5 -0.640 -6.019 13.228 56 HA ARG 5 HA ARG 5 -0.893 -3.247 13.897 57 HE ARG 5 HE ARG 5 3.011 -5.729 12.710 58 HB2 ARG 5 HB2 ARG 5 0.984 -2.892 12.437 59 HB3 ARG 5 HB1 ARG 5 1.282 -4.340 13.384 60 HG2 ARG 5 HG2 ARG 5 0.044 -4.663 10.703 61 HG3 ARG 5 HG1 ARG 5 1.751 -4.233 10.787 62 HD2 ARG 5 HD2 ARG 5 0.375 -6.689 11.813 63 HD3 ARG 5 HD1 ARG 5 1.739 -6.569 10.709 64 HH11 ARG 5 HH11 ARG 5 0.281 -7.892 13.058 65 HH12 ARG 5 HH12 ARG 5 0.840 -8.544 14.559 66 HH21 ARG 5 HH21 ARG 5 3.736 -6.598 14.680 67 HH22 ARG 5 HH22 ARG 5 2.795 -7.814 15.479 68 H THR 6 HN THR 6 -1.992 -5.302 11.303 69 HA THR 6 HA THR 6 -3.944 -3.505 10.419 70 HB THR 6 HB THR 6 -2.109 -2.175 9.549 71 HG1 THR 6 HG1 THR 6 -2.772 -2.104 7.402 72 HG21 THR 6 HG21 THR 6 -1.145 -3.765 7.422 73 HG22 THR 6 HG22 THR 6 -0.925 -4.667 8.921 74 HG23 THR 6 HG23 THR 6 -0.246 -3.047 8.759 75 H ALA 7 HN ALA 7 -5.465 -4.746 9.552 76 HA ALA 7 HA ALA 7 -4.640 -7.175 8.099 77 HB1 ALA 7 HB1 ALA 7 -5.784 -7.331 10.479 78 HB2 ALA 7 HB2 ALA 7 -6.156 -8.480 9.194 79 HB3 ALA 7 HB3 ALA 7 -7.249 -7.135 9.518 80 H PHE 8 HN PHE 8 -4.962 -6.638 6.018 81 HA PHE 8 HA PHE 8 -7.249 -5.050 5.219 82 HD1 PHE 8 HD1 PHE 8 -6.201 -2.846 3.779 83 HD2 PHE 8 HD2 PHE 8 -3.127 -5.664 4.629 84 HE1 PHE 8 HE1 PHE 8 -4.675 -1.003 4.352 85 HE2 PHE 8 HE2 PHE 8 -1.595 -3.827 5.203 86 HZ PHE 8 HZ PHE 8 -2.369 -1.492 5.065 87 HB2 PHE 8 HB2 PHE 8 -5.101 -6.357 3.536 88 HB3 PHE 8 HB1 PHE 8 -6.290 -5.192 2.964 89 H SER 9 HN SER 9 -8.538 -5.805 3.287 90 HA SER 9 HA SER 9 -9.315 -8.610 3.703 91 HG SER 9 HG SER 9 -11.639 -6.870 1.433 92 HB2 SER 9 HB2 SER 9 -11.529 -8.040 3.198 93 HB3 SER 9 HB1 SER 9 -10.962 -6.639 4.107 94 H SER 10 HN SER 10 -10.129 -9.772 1.795 95 HA SER 10 HA SER 10 -8.291 -9.881 -0.270 96 HG SER 10 HG SER 10 -10.813 -12.504 0.544 97 HB2 SER 10 HB2 SER 10 -11.086 -10.705 -0.882 98 HB3 SER 10 HB1 SER 10 -9.575 -11.577 -1.133 99 H GLU 11 HN GLU 11 -11.465 -8.287 -0.235 100 HA GLU 11 HA GLU 11 -11.341 -7.353 -2.902 101 HB2 GLU 11 HB2 GLU 11 -13.334 -7.526 -1.158 102 HB3 GLU 11 HB1 GLU 11 -12.892 -5.853 -0.844 103 HG2 GLU 11 HG2 GLU 11 -12.983 -5.918 -3.572 104 HG3 GLU 11 HG1 GLU 11 -14.269 -7.038 -3.126 105 H GLN 12 HN GLN 12 -10.375 -5.941 0.188 106 HA GLN 12 HA GLN 12 -9.831 -3.348 -0.807 107 HB2 GLN 12 HB2 GLN 12 -8.822 -4.827 1.622 108 HB3 GLN 12 HB1 GLN 12 -8.420 -3.149 1.285 109 HG2 GLN 12 HG2 GLN 12 -10.687 -2.478 1.490 110 HG3 GLN 12 HG1 GLN 12 -11.243 -4.151 1.533 111 HE21 GLN 12 HE21 GLN 12 -11.464 -1.836 3.435 112 HE22 GLN 12 HE22 GLN 12 -10.917 -2.466 4.947 113 H LEU 13 HN LEU 13 -7.764 -6.188 -0.271 114 HA LEU 13 HA LEU 13 -5.370 -4.944 -1.132 115 HG LEU 13 HG LEU 13 -5.346 -7.010 1.293 116 HB2 LEU 13 HB2 LEU 13 -6.261 -7.759 -0.699 117 HB3 LEU 13 HB1 LEU 13 -4.787 -7.484 -1.604 118 HD11 LEU 13 HD11 LEU 13 -2.835 -7.963 -0.049 119 HD12 LEU 13 HD12 LEU 13 -4.187 -9.044 0.297 120 HD13 LEU 13 HD13 LEU 13 -3.361 -8.215 1.617 121 HD21 LEU 13 HD21 LEU 13 -3.193 -5.688 1.367 122 HD22 LEU 13 HD22 LEU 13 -4.594 -4.839 0.715 123 HD23 LEU 13 HD23 LEU 13 -3.364 -5.477 -0.375 124 H ALA 14 HN ALA 14 -7.925 -6.696 -2.772 125 HA ALA 14 HA ALA 14 -6.657 -7.081 -5.246 126 HB1 ALA 14 HB1 ALA 14 -8.569 -8.129 -5.668 127 HB2 ALA 14 HB2 ALA 14 -9.436 -6.593 -5.662 128 HB3 ALA 14 HB3 ALA 14 -9.237 -7.499 -4.163 129 H ARG 15 HN ARG 15 -8.686 -4.426 -4.047 130 HA ARG 15 HA ARG 15 -8.623 -2.889 -6.415 131 HE ARG 15 HE ARG 15 -12.239 -2.953 -6.537 132 HB2 ARG 15 HB2 ARG 15 -9.992 -2.704 -4.098 133 HB3 ARG 15 HB1 ARG 15 -8.780 -1.461 -3.823 134 HG2 ARG 15 HG2 ARG 15 -9.940 -0.044 -5.060 135 HG3 ARG 15 HG1 ARG 15 -9.792 -1.121 -6.449 136 HD2 ARG 15 HD2 ARG 15 -11.793 -1.991 -4.507 137 HD3 ARG 15 HD1 ARG 15 -12.137 -0.410 -5.206 138 HH11 ARG 15 HH11 ARG 15 -11.846 0.486 -6.973 139 HH12 ARG 15 HH12 ARG 15 -12.379 0.465 -8.620 140 HH21 ARG 15 HH21 ARG 15 -12.940 -2.984 -8.704 141 HH22 ARG 15 HH22 ARG 15 -13.000 -1.504 -9.603 142 H LEU 16 HN LEU 16 -6.644 -2.794 -3.472 143 HA LEU 16 HA LEU 16 -5.013 -0.631 -4.230 144 HG LEU 16 HG LEU 16 -5.939 -0.484 -1.984 145 HB2 LEU 16 HB2 LEU 16 -4.678 -2.906 -2.302 146 HB3 LEU 16 HB1 LEU 16 -3.373 -1.769 -2.580 147 HD11 LEU 16 HD11 LEU 16 -5.078 -2.702 -0.351 148 HD12 LEU 16 HD12 LEU 16 -6.542 -1.723 -0.242 149 HD13 LEU 16 HD13 LEU 16 -5.064 -1.192 0.562 150 HD21 LEU 16 HD21 LEU 16 -4.596 0.983 -0.739 151 HD22 LEU 16 HD22 LEU 16 -3.611 0.538 -2.132 152 HD23 LEU 16 HD23 LEU 16 -3.308 -0.209 -0.563 153 H LYS 17 HN LYS 17 -4.742 -4.105 -4.755 154 HA LYS 17 HA LYS 17 -2.137 -4.132 -5.818 155 HB2 LYS 17 HB2 LYS 17 -4.492 -5.970 -5.965 156 HB3 LYS 17 HB1 LYS 17 -3.121 -6.255 -7.029 157 HG2 LYS 17 HG2 LYS 17 -1.814 -5.981 -4.715 158 HG3 LYS 17 HG1 LYS 17 -3.357 -6.579 -4.104 159 HD2 LYS 17 HD2 LYS 17 -2.728 -8.168 -6.337 160 HD3 LYS 17 HD1 LYS 17 -1.235 -8.012 -5.409 161 HE2 LYS 17 HE2 LYS 17 -3.155 -8.463 -3.476 162 HE3 LYS 17 HE1 LYS 17 -3.663 -9.500 -4.808 163 HZ1 LYS 17 HZ1 LYS 17 -1.118 -9.546 -3.311 164 HZ2 LYS 17 HZ2 LYS 17 -1.242 -10.252 -4.842 165 HZ3 LYS 17 HZ3 LYS 17 -2.214 -10.809 -3.574 166 H ARG 18 HN ARG 18 -5.314 -3.884 -7.381 167 HA ARG 18 HA ARG 18 -4.390 -3.805 -10.032 168 HE ARG 18 HE ARG 18 -7.778 -1.493 -12.231 169 HB2 ARG 18 HB2 ARG 18 -6.837 -3.910 -8.916 170 HB3 ARG 18 HB1 ARG 18 -6.793 -2.205 -9.343 171 HG2 ARG 18 HG2 ARG 18 -6.182 -2.909 -11.673 172 HG3 ARG 18 HG1 ARG 18 -6.521 -4.569 -11.181 173 HD2 ARG 18 HD2 ARG 18 -8.650 -4.205 -11.698 174 HD3 ARG 18 HD1 ARG 18 -8.732 -3.092 -10.334 175 HH11 ARG 18 HH11 ARG 18 -10.404 -3.794 -12.340 176 HH12 ARG 18 HH12 ARG 18 -11.285 -2.916 -13.545 177 HH21 ARG 18 HH21 ARG 18 -8.939 -0.341 -13.811 178 HH22 ARG 18 HH22 ARG 18 -10.455 -0.958 -14.379 179 H GLU 19 HN GLU 19 -4.849 -1.288 -7.612 180 HA GLU 19 HA GLU 19 -4.350 0.899 -9.362 181 HB2 GLU 19 HB2 GLU 19 -4.895 0.499 -6.543 182 HB3 GLU 19 HB1 GLU 19 -3.640 1.709 -6.779 183 HG2 GLU 19 HG2 GLU 19 -5.879 2.070 -8.587 184 HG3 GLU 19 HG1 GLU 19 -6.359 2.122 -6.891 185 H PHE 20 HN PHE 20 -2.333 -1.044 -7.212 186 HA PHE 20 HA PHE 20 0.017 0.484 -7.421 187 HD1 PHE 20 HD1 PHE 20 2.077 -2.577 -8.201 188 HD2 PHE 20 HD2 PHE 20 1.420 -0.409 -4.599 189 HE1 PHE 20 HE1 PHE 20 4.504 -2.531 -7.791 190 HE2 PHE 20 HE2 PHE 20 3.844 -0.355 -4.184 191 HZ PHE 20 HZ PHE 20 5.390 -1.418 -5.781 192 HB2 PHE 20 HB2 PHE 20 -0.395 -1.334 -5.744 193 HB3 PHE 20 HB1 PHE 20 -0.155 -2.510 -7.032 194 H ASN 21 HN ASN 21 -1.289 -2.116 -9.412 195 HA ASN 21 HA ASN 21 0.972 -2.524 -11.035 196 HB2 ASN 21 HB2 ASN 21 -1.809 -3.344 -11.012 197 HB3 ASN 21 HB1 ASN 21 -1.261 -3.012 -12.652 198 HD21 ASN 21 HD21 ASN 21 -0.596 -4.871 -9.750 199 HD22 ASN 21 HD22 ASN 21 0.258 -6.148 -10.538 200 H GLU 22 HN GLU 22 -1.502 -0.083 -11.038 201 HA GLU 22 HA GLU 22 -0.844 0.897 -13.678 202 HB2 GLU 22 HB2 GLU 22 -2.801 1.595 -11.550 203 HB3 GLU 22 HB1 GLU 22 -2.333 2.877 -12.658 204 HG2 GLU 22 HG2 GLU 22 -3.434 0.202 -13.488 205 HG3 GLU 22 HG1 GLU 22 -4.375 1.686 -13.347 206 H ASN 23 HN ASN 23 -0.218 1.764 -10.324 207 HA ASN 23 HA ASN 23 2.101 3.282 -11.112 208 HB2 ASN 23 HB2 ASN 23 -0.412 4.604 -10.300 209 HB3 ASN 23 HB1 ASN 23 1.035 5.177 -9.476 210 HD21 ASN 23 HD21 ASN 23 -0.166 6.985 -10.927 211 HD22 ASN 23 HD22 ASN 23 0.656 7.282 -12.417 212 H ARG 24 HN ARG 24 3.468 2.183 -9.835 213 HA ARG 24 HA ARG 24 2.790 1.285 -7.212 214 HE ARG 24 HE ARG 24 6.958 0.543 -11.360 215 HB2 ARG 24 HB2 ARG 24 5.227 0.690 -7.078 216 HB3 ARG 24 HB1 ARG 24 4.363 -0.020 -8.434 217 HG2 ARG 24 HG2 ARG 24 5.283 1.736 -9.900 218 HG3 ARG 24 HG1 ARG 24 6.199 2.364 -8.530 219 HD2 ARG 24 HD2 ARG 24 7.829 0.980 -9.153 220 HD3 ARG 24 HD1 ARG 24 6.817 -0.326 -8.547 221 HH11 ARG 24 HH11 ARG 24 6.267 -1.913 -8.963 222 HH12 ARG 24 HH12 ARG 24 6.002 -3.152 -10.139 223 HH21 ARG 24 HH21 ARG 24 6.604 -1.093 -12.894 224 HH22 ARG 24 HH22 ARG 24 6.192 -2.690 -12.365 225 H TYR 25 HN TYR 25 3.392 4.330 -8.260 226 HA TYR 25 HA TYR 25 4.776 5.140 -5.799 227 HD1 TYR 25 HD2 TYR 25 6.979 4.536 -7.798 228 HD2 TYR 25 HD1 TYR 25 6.246 8.480 -6.379 229 HE1 TYR 25 HE2 TYR 25 9.340 4.732 -7.141 230 HE2 TYR 25 HE1 TYR 25 8.605 8.688 -5.721 231 HH TYR 25 HH TYR 25 10.903 6.020 -6.209 232 HB2 TYR 25 HB2 TYR 25 4.966 6.002 -8.555 233 HB3 TYR 25 HB1 TYR 25 4.558 7.360 -7.513 234 H LEU 26 HN LEU 26 3.450 5.818 -4.245 235 HA LEU 26 HA LEU 26 0.798 6.790 -4.932 236 HG LEU 26 HG LEU 26 0.692 4.184 -3.419 237 HB2 LEU 26 HB2 LEU 26 2.125 5.803 -2.469 238 HB3 LEU 26 HB1 LEU 26 0.822 6.954 -2.261 239 HD11 LEU 26 HD11 LEU 26 -0.985 3.867 -1.707 240 HD12 LEU 26 HD12 LEU 26 -0.891 5.571 -1.259 241 HD13 LEU 26 HD13 LEU 26 0.489 4.505 -0.976 242 HD21 LEU 26 HD21 LEU 26 -1.683 4.634 -3.927 243 HD22 LEU 26 HD22 LEU 26 -0.578 5.550 -4.953 244 HD23 LEU 26 HD23 LEU 26 -1.402 6.347 -3.609 245 H THR 27 HN THR 27 -0.019 8.582 -3.437 246 HA THR 27 HA THR 27 1.913 10.708 -2.960 247 HB THR 27 HB THR 27 0.763 12.345 -4.272 248 HG1 THR 27 HG1 THR 27 -1.312 12.033 -4.350 249 HG21 THR 27 HG21 THR 27 1.974 10.187 -5.534 250 HG22 THR 27 HG22 THR 27 1.634 11.774 -6.220 251 HG23 THR 27 HG23 THR 27 0.477 10.458 -6.423 252 H GLU 28 HN GLU 28 0.690 12.639 -1.938 253 HA GLU 28 HA GLU 28 -0.618 11.772 0.366 254 HB2 GLU 28 HB2 GLU 28 0.491 14.067 -0.224 255 HB3 GLU 28 HB1 GLU 28 -1.122 14.506 -0.767 256 HG2 GLU 28 HG2 GLU 28 -2.023 14.310 1.379 257 HG3 GLU 28 HG1 GLU 28 -0.639 13.394 1.972 258 H ARG 29 HN ARG 29 -1.977 13.250 -2.565 259 HA ARG 29 HA ARG 29 -4.668 13.122 -1.810 260 HE ARG 29 HE ARG 29 -6.342 14.150 -1.518 261 HB2 ARG 29 HB2 ARG 29 -3.222 13.365 -4.410 262 HB3 ARG 29 HB1 ARG 29 -4.948 13.031 -4.434 263 HG2 ARG 29 HG2 ARG 29 -3.810 15.312 -2.856 264 HG3 ARG 29 HG1 ARG 29 -4.206 15.466 -4.569 265 HD2 ARG 29 HD2 ARG 29 -6.169 16.170 -3.609 266 HD3 ARG 29 HD1 ARG 29 -6.498 14.452 -3.819 267 HH11 ARG 29 HH11 ARG 29 -5.613 17.458 -2.382 268 HH12 ARG 29 HH12 ARG 29 -5.762 18.042 -0.760 269 HH21 ARG 29 HH21 ARG 29 -6.532 14.923 0.612 270 HH22 ARG 29 HH22 ARG 29 -6.281 16.605 0.939 271 H ARG 30 HN ARG 30 -2.648 10.780 -3.568 272 HA ARG 30 HA ARG 30 -4.747 8.969 -4.132 273 HE ARG 30 HE ARG 30 -4.351 6.551 -6.816 274 HB2 ARG 30 HB2 ARG 30 -1.768 8.543 -3.918 275 HB3 ARG 30 HB1 ARG 30 -2.893 7.323 -4.494 276 HG2 ARG 30 HG2 ARG 30 -3.405 9.665 -5.972 277 HG3 ARG 30 HG1 ARG 30 -1.654 9.454 -5.928 278 HD2 ARG 30 HD2 ARG 30 -2.303 8.238 -7.805 279 HD3 ARG 30 HD1 ARG 30 -2.140 7.010 -6.551 280 HH11 ARG 30 HH11 ARG 30 -3.777 9.804 -7.941 281 HH12 ARG 30 HH12 ARG 30 -5.405 10.038 -8.483 282 HH21 ARG 30 HH21 ARG 30 -6.493 6.856 -7.527 283 HH22 ARG 30 HH22 ARG 30 -6.948 8.365 -8.248 284 H ARG 31 HN ARG 31 -2.477 9.249 -1.444 285 HA ARG 31 HA ARG 31 -3.125 6.822 -0.173 286 HE ARG 31 HE ARG 31 0.144 7.709 3.841 287 HB2 ARG 31 HB2 ARG 31 -1.497 9.110 0.362 288 HB3 ARG 31 HB1 ARG 31 -2.459 8.773 1.794 289 HG2 ARG 31 HG2 ARG 31 -1.538 6.650 2.062 290 HG3 ARG 31 HG1 ARG 31 -0.931 6.607 0.406 291 HD2 ARG 31 HD2 ARG 31 0.960 6.987 1.739 292 HD3 ARG 31 HD1 ARG 31 0.554 8.561 1.062 293 HH11 ARG 31 HH11 ARG 31 0.127 10.247 1.432 294 HH12 ARG 31 HH12 ARG 31 0.029 11.518 2.603 295 HH21 ARG 31 HH21 ARG 31 0.011 9.384 5.367 296 HH22 ARG 31 HH22 ARG 31 -0.038 11.031 4.831 297 H GLN 32 HN GLN 32 -4.275 10.130 0.411 298 HA GLN 32 HA GLN 32 -6.152 9.453 2.403 299 HB2 GLN 32 HB2 GLN 32 -5.211 11.748 1.909 300 HB3 GLN 32 HB1 GLN 32 -6.312 11.823 0.541 301 HG2 GLN 32 HG2 GLN 32 -7.792 11.077 2.853 302 HG3 GLN 32 HG1 GLN 32 -6.807 12.487 3.240 303 HE21 GLN 32 HE21 GLN 32 -9.369 11.230 1.254 304 HE22 GLN 32 HE22 GLN 32 -9.954 12.755 0.689 305 H GLN 33 HN GLN 33 -6.366 9.647 -1.102 306 HA GLN 33 HA GLN 33 -9.184 9.464 -1.281 307 HB2 GLN 33 HB2 GLN 33 -6.907 9.057 -3.170 308 HB3 GLN 33 HB1 GLN 33 -8.498 8.474 -3.637 309 HG2 GLN 33 HG2 GLN 33 -9.035 11.010 -2.762 310 HG3 GLN 33 HG1 GLN 33 -7.454 11.191 -3.519 311 HE21 GLN 33 HE21 GLN 33 -7.341 11.314 -5.665 312 HE22 GLN 33 HE22 GLN 33 -8.658 11.048 -6.750 313 H LEU 34 HN LEU 34 -6.622 7.011 -1.552 314 HA LEU 34 HA LEU 34 -8.295 4.807 -1.976 315 HG LEU 34 HG LEU 34 -6.749 2.856 -2.639 316 HB2 LEU 34 HB2 LEU 34 -5.504 5.277 -1.334 317 HB3 LEU 34 HB1 LEU 34 -6.115 3.844 -0.529 318 HD11 LEU 34 HD11 LEU 34 -7.436 4.336 -4.183 319 HD12 LEU 34 HD12 LEU 34 -5.743 4.324 -4.675 320 HD13 LEU 34 HD13 LEU 34 -6.343 5.599 -3.613 321 HD21 LEU 34 HD21 LEU 34 -4.675 2.125 -2.993 322 HD22 LEU 34 HD22 LEU 34 -4.147 3.323 -1.812 323 HD23 LEU 34 HD23 LEU 34 -4.126 3.710 -3.532 324 H SER 35 HN SER 35 -7.118 6.291 1.008 325 HA SER 35 HA SER 35 -8.066 4.362 2.806 326 HG SER 35 HG SER 35 -7.891 8.174 2.975 327 HB2 SER 35 HB2 SER 35 -8.202 6.544 4.335 328 HB3 SER 35 HB1 SER 35 -6.657 5.834 3.870 329 H SER 36 HN SER 36 -9.564 7.351 1.627 330 HA SER 36 HA SER 36 -11.990 7.000 3.063 331 HG SER 36 HG SER 36 -12.807 10.101 2.281 332 HB2 SER 36 HB2 SER 36 -10.920 9.121 1.875 333 HB3 SER 36 HB1 SER 36 -11.946 8.594 0.542 334 H GLU 37 HN GLU 37 -10.953 6.116 -0.189 335 HA GLU 37 HA GLU 37 -13.467 5.428 -1.227 336 HB2 GLU 37 HB2 GLU 37 -10.935 5.543 -2.228 337 HB3 GLU 37 HB1 GLU 37 -11.202 3.806 -2.174 338 HG2 GLU 37 HG2 GLU 37 -11.938 4.345 -4.281 339 HG3 GLU 37 HG1 GLU 37 -13.437 4.365 -3.355 340 H LEU 38 HN LEU 38 -10.963 3.283 0.155 341 HA LEU 38 HA LEU 38 -12.824 1.066 0.175 342 HG LEU 38 HG LEU 38 -10.100 1.725 -1.142 343 HB2 LEU 38 HB2 LEU 38 -10.049 1.168 1.345 344 HB3 LEU 38 HB1 LEU 38 -10.978 -0.264 0.942 345 HD11 LEU 38 HD11 LEU 38 -8.399 0.114 0.384 346 HD12 LEU 38 HD12 LEU 38 -8.024 0.944 -1.126 347 HD13 LEU 38 HD13 LEU 38 -8.594 -0.725 -1.156 348 HD21 LEU 38 HD21 LEU 38 -11.890 -0.370 -1.241 349 HD22 LEU 38 HD22 LEU 38 -10.402 -1.073 -1.871 350 HD23 LEU 38 HD23 LEU 38 -11.079 0.373 -2.620 351 H GLY 39 HN GLY 39 -11.086 3.012 2.584 352 HA2 GLY 39 HA2 GLY 39 -12.393 3.703 4.555 353 HA3 GLY 39 HA1 GLY 39 -13.045 2.072 4.588 354 H LEU 40 HN LEU 40 -9.695 3.115 4.108 355 HA LEU 40 HA LEU 40 -9.001 1.758 6.629 356 HG LEU 40 HG LEU 40 -9.499 0.064 4.609 357 HB2 LEU 40 HB2 LEU 40 -7.436 1.750 4.048 358 HB3 LEU 40 HB1 LEU 40 -6.890 1.051 5.561 359 HD11 LEU 40 HD11 LEU 40 -7.203 -1.179 3.234 360 HD12 LEU 40 HD12 LEU 40 -7.738 0.382 2.612 361 HD13 LEU 40 HD13 LEU 40 -8.871 -0.967 2.702 362 HD21 LEU 40 HD21 LEU 40 -8.849 -1.237 6.326 363 HD22 LEU 40 HD22 LEU 40 -7.140 -0.870 6.097 364 HD23 LEU 40 HD23 LEU 40 -7.924 -2.083 5.086 365 H ASN 41 HN ASN 41 -6.661 2.390 7.287 366 HA ASN 41 HA ASN 41 -6.644 5.266 7.525 367 HB2 ASN 41 HB2 ASN 41 -5.823 3.160 9.149 368 HB3 ASN 41 HB1 ASN 41 -4.318 3.917 8.636 369 HD21 ASN 41 HD21 ASN 41 -3.678 5.060 10.330 370 HD22 ASN 41 HD22 ASN 41 -4.631 6.233 11.167 371 H GLU 42 HN GLU 42 -5.256 6.680 6.619 372 HA GLU 42 HA GLU 42 -4.010 6.158 4.211 373 HB2 GLU 42 HB2 GLU 42 -3.918 8.341 6.200 374 HB3 GLU 42 HB1 GLU 42 -2.551 8.266 5.097 375 HG2 GLU 42 HG2 GLU 42 -3.749 9.017 3.376 376 HG3 GLU 42 HG1 GLU 42 -5.125 7.985 3.763 377 H ALA 43 HN ALA 43 -2.667 6.055 7.470 378 HA ALA 43 HA ALA 43 0.032 5.692 6.756 379 HB1 ALA 43 HB1 ALA 43 0.194 4.660 9.076 380 HB2 ALA 43 HB2 ALA 43 -1.533 4.985 9.222 381 HB3 ALA 43 HB3 ALA 43 -0.403 6.318 8.982 382 H GLN 44 HN GLN 44 -2.646 3.443 7.114 383 HA GLN 44 HA GLN 44 -1.079 1.074 7.026 384 HB2 GLN 44 HB2 GLN 44 -3.972 1.734 6.771 385 HB3 GLN 44 HB1 GLN 44 -3.436 0.174 6.163 386 HG2 GLN 44 HG2 GLN 44 -4.084 -0.279 8.339 387 HG3 GLN 44 HG1 GLN 44 -2.331 -0.121 8.456 388 HE21 GLN 44 HE21 GLN 44 -5.097 0.628 9.961 389 HE22 GLN 44 HE22 GLN 44 -4.622 2.066 10.794 390 H ILE 45 HN ILE 45 -2.813 2.954 4.574 391 HA ILE 45 HA ILE 45 -2.248 1.199 2.421 392 HB ILE 45 HB ILE 45 -2.800 4.167 2.298 393 HG12 ILE 45 HG12 ILE 45 -4.993 2.402 1.580 394 HG13 ILE 45 HG11 ILE 45 -4.463 2.126 3.236 395 HG21 ILE 45 HG21 ILE 45 -2.567 3.994 0.099 396 HG22 ILE 45 HG22 ILE 45 -3.798 2.731 0.057 397 HG23 ILE 45 HG23 ILE 45 -2.102 2.302 0.280 398 HD11 ILE 45 HD11 ILE 45 -6.137 4.156 2.259 399 HD12 ILE 45 HD12 ILE 45 -4.638 4.931 2.771 400 HD13 ILE 45 HD13 ILE 45 -5.545 3.929 3.904 401 H LYS 46 HN LYS 46 -0.611 4.054 3.724 402 HA LYS 46 HA LYS 46 1.347 4.346 1.747 403 HB2 LYS 46 HB2 LYS 46 0.766 5.848 3.797 404 HB3 LYS 46 HB1 LYS 46 1.949 4.857 4.642 405 HG2 LYS 46 HG2 LYS 46 2.698 6.102 2.042 406 HG3 LYS 46 HG1 LYS 46 2.651 7.098 3.497 407 HD2 LYS 46 HD2 LYS 46 4.360 5.907 4.520 408 HD3 LYS 46 HD1 LYS 46 4.109 4.485 3.505 409 HE2 LYS 46 HE2 LYS 46 5.044 7.095 2.356 410 HE3 LYS 46 HE1 LYS 46 6.176 5.938 3.056 411 HZ1 LYS 46 HZ1 LYS 46 4.292 4.851 1.133 412 HZ2 LYS 46 HZ2 LYS 46 5.941 4.534 1.333 413 HZ3 LYS 46 HZ3 LYS 46 5.442 5.920 0.500 414 H ILE 47 HN ILE 47 1.366 2.437 4.745 415 HA ILE 47 HA ILE 47 3.994 1.435 4.422 416 HB ILE 47 HB ILE 47 1.685 0.200 5.935 417 HG12 ILE 47 HG12 ILE 47 3.923 1.800 7.141 418 HG13 ILE 47 HG11 ILE 47 2.503 2.607 6.487 419 HG21 ILE 47 HG21 ILE 47 4.498 -0.228 6.752 420 HG22 ILE 47 HG22 ILE 47 3.943 -1.092 5.320 421 HG23 ILE 47 HG23 ILE 47 3.110 -1.308 6.859 422 HD11 ILE 47 HD11 ILE 47 2.519 2.116 8.971 423 HD12 ILE 47 HD12 ILE 47 2.297 0.423 8.529 424 HD13 ILE 47 HD13 ILE 47 1.086 1.620 8.071 425 H TRP 48 HN TRP 48 0.827 0.298 3.372 426 HA TRP 48 HA TRP 48 1.584 -2.255 2.493 427 HD1 TRP 48 HD1 TRP 48 -0.846 -4.144 2.420 428 HE1 TRP 48 HE1 TRP 48 -1.429 -5.589 0.373 429 HE3 TRP 48 HE3 TRP 48 -0.408 -0.589 -1.237 430 HZ2 TRP 48 HZ2 TRP 48 -1.674 -5.270 -2.419 431 HZ3 TRP 48 HZ3 TRP 48 -0.832 -1.248 -3.569 432 HH2 TRP 48 HH2 TRP 48 -1.450 -3.537 -4.144 433 HB2 TRP 48 HB2 TRP 48 -0.771 -1.466 2.742 434 HB3 TRP 48 HB1 TRP 48 -0.558 -0.490 1.291 435 H PHE 49 HN PHE 49 1.314 0.795 0.673 436 HA PHE 49 HA PHE 49 2.268 -0.249 -1.765 437 HD1 PHE 49 HD1 PHE 49 -0.581 1.524 -1.452 438 HD2 PHE 49 HD2 PHE 49 2.679 2.126 -4.120 439 HE1 PHE 49 HE1 PHE 49 -2.134 1.458 -3.359 440 HE2 PHE 49 HE2 PHE 49 1.131 2.063 -6.032 441 HZ PHE 49 HZ PHE 49 -1.279 1.729 -5.652 442 HB2 PHE 49 HB2 PHE 49 1.602 2.375 -0.678 443 HB3 PHE 49 HB1 PHE 49 2.968 2.439 -1.786 444 H GLN 50 HN GLN 50 3.886 1.332 0.951 445 HA GLN 50 HA GLN 50 6.446 1.508 -0.201 446 HB2 GLN 50 HB2 GLN 50 5.606 2.632 1.925 447 HB3 GLN 50 HB1 GLN 50 5.890 1.098 2.736 448 HG2 GLN 50 HG2 GLN 50 8.220 1.824 1.251 449 HG3 GLN 50 HG1 GLN 50 7.717 3.181 2.259 450 HE21 GLN 50 HE21 GLN 50 6.786 2.100 4.486 451 HE22 GLN 50 HE22 GLN 50 7.987 1.149 5.286 452 H ASN 51 HN ASN 51 4.844 -1.038 1.645 453 HA ASN 51 HA ASN 51 7.110 -2.738 1.847 454 HB2 ASN 51 HB2 ASN 51 4.604 -2.732 2.953 455 HB3 ASN 51 HB1 ASN 51 4.475 -4.053 1.796 456 HD21 ASN 51 HD21 ASN 51 4.686 -3.816 4.821 457 HD22 ASN 51 HD22 ASN 51 5.906 -4.965 5.238 458 H LYS 52 HN LYS 52 4.437 -2.480 -0.445 459 HA LYS 52 HA LYS 52 5.136 -4.760 -1.981 460 HB2 LYS 52 HB2 LYS 52 3.063 -2.849 -1.961 461 HB3 LYS 52 HB1 LYS 52 3.796 -2.752 -3.555 462 HG2 LYS 52 HG2 LYS 52 3.448 -5.498 -2.829 463 HG3 LYS 52 HG1 LYS 52 1.928 -4.626 -2.618 464 HD2 LYS 52 HD2 LYS 52 1.603 -4.755 -4.815 465 HD3 LYS 52 HD1 LYS 52 3.020 -3.733 -5.053 466 HE2 LYS 52 HE2 LYS 52 4.452 -5.642 -5.214 467 HE3 LYS 52 HE1 LYS 52 3.146 -6.726 -4.733 468 HZ1 LYS 52 HZ1 LYS 52 1.970 -6.035 -6.789 469 HZ2 LYS 52 HZ2 LYS 52 3.411 -6.869 -7.079 470 HZ3 LYS 52 HZ3 LYS 52 3.357 -5.189 -7.262 471 H ARG 53 HN ARG 53 5.908 -1.326 -2.213 472 HA ARG 53 HA ARG 53 7.265 -1.449 -4.690 473 HE ARG 53 HE ARG 53 9.997 0.699 -6.212 474 HB2 ARG 53 HB2 ARG 53 6.397 0.599 -3.312 475 HB3 ARG 53 HB1 ARG 53 7.988 0.536 -2.566 476 HG2 ARG 53 HG2 ARG 53 7.982 0.448 -5.503 477 HG3 ARG 53 HG1 ARG 53 7.397 1.951 -4.787 478 HD2 ARG 53 HD2 ARG 53 9.487 2.578 -4.383 479 HD3 ARG 53 HD1 ARG 53 9.723 1.154 -3.370 480 HH11 ARG 53 HH11 ARG 53 11.627 1.499 -3.229 481 HH12 ARG 53 HH12 ARG 53 13.179 0.983 -3.796 482 HH21 ARG 53 HH21 ARG 53 12.039 0.024 -6.956 483 HH22 ARG 53 HH22 ARG 53 13.414 0.148 -5.910 484 H ALA 54 HN ALA 54 8.304 -1.841 -1.351 485 HA ALA 54 HA ALA 54 11.090 -1.926 -1.899 486 HB1 ALA 54 HB1 ALA 54 9.769 -1.576 0.347 487 HB2 ALA 54 HB2 ALA 54 11.379 -2.295 0.340 488 HB3 ALA 54 HB3 ALA 54 9.952 -3.326 0.469 489 H LYS 55 HN LYS 55 8.577 -4.193 -2.373 490 HA LYS 55 HA LYS 55 10.135 -6.569 -2.067 491 HB2 LYS 55 HB2 LYS 55 7.404 -5.910 -2.608 492 HB3 LYS 55 HB1 LYS 55 7.959 -7.046 -3.831 493 HG2 LYS 55 HG2 LYS 55 8.719 -8.558 -2.040 494 HG3 LYS 55 HG1 LYS 55 8.070 -7.432 -0.847 495 HD2 LYS 55 HD2 LYS 55 6.365 -8.582 -3.037 496 HD3 LYS 55 HD1 LYS 55 6.611 -9.425 -1.506 497 HE2 LYS 55 HE2 LYS 55 5.406 -6.694 -1.910 498 HE3 LYS 55 HE1 LYS 55 4.575 -8.153 -1.376 499 HZ1 LYS 55 HZ1 LYS 55 6.277 -6.335 0.121 500 HZ2 LYS 55 HZ2 LYS 55 6.479 -7.979 0.465 501 HZ3 LYS 55 HZ3 LYS 55 4.957 -7.261 0.639 502 H ILE 56 HN ILE 56 9.474 -4.355 -4.689 503 HA ILE 56 HA ILE 56 10.455 -6.066 -6.763 504 HB ILE 56 HB ILE 56 10.172 -3.059 -6.811 505 HG12 ILE 56 HG12 ILE 56 8.102 -4.450 -8.232 506 HG13 ILE 56 HG11 ILE 56 8.164 -5.049 -6.578 507 HG21 ILE 56 HG21 ILE 56 10.720 -5.133 -8.878 508 HG22 ILE 56 HG22 ILE 56 11.412 -3.523 -8.683 509 HG23 ILE 56 HG23 ILE 56 9.779 -3.710 -9.322 510 HD11 ILE 56 HD11 ILE 56 7.436 -3.106 -5.707 511 HD12 ILE 56 HD12 ILE 56 6.738 -2.923 -7.316 512 HD13 ILE 56 HD13 ILE 56 8.258 -2.122 -6.918 513 H LYS 57 HN LYS 57 11.769 -2.948 -5.625 514 HA LYS 57 HA LYS 57 13.899 -2.166 -5.468 515 HB2 LYS 57 HB2 LYS 57 13.808 -4.425 -3.977 516 HB3 LYS 57 HB1 LYS 57 15.091 -4.846 -5.103 517 HG2 LYS 57 HG2 LYS 57 16.543 -3.376 -4.212 518 HG3 LYS 57 HG1 LYS 57 15.292 -2.174 -3.887 519 HD2 LYS 57 HD2 LYS 57 15.583 -2.756 -1.738 520 HD3 LYS 57 HD1 LYS 57 14.608 -4.166 -2.155 521 HE2 LYS 57 HE2 LYS 57 17.495 -4.366 -2.728 522 HE3 LYS 57 HE1 LYS 57 17.047 -4.313 -1.024 523 HZ1 LYS 57 HZ1 LYS 57 16.530 -6.375 -3.018 524 HZ2 LYS 57 HZ2 LYS 57 15.306 -6.097 -1.884 525 HZ3 LYS 57 HZ3 LYS 57 16.858 -6.525 -1.364 526 H LYS 58 HN LYS 58 16.330 -2.873 -6.225 527 HA LYS 58 HA LYS 58 16.044 -3.504 -9.088 528 HB2 LYS 58 HB2 LYS 58 18.178 -1.829 -7.755 529 HB3 LYS 58 HB1 LYS 58 18.003 -2.108 -9.482 530 HG2 LYS 58 HG2 LYS 58 15.639 -1.070 -9.127 531 HG3 LYS 58 HG1 LYS 58 16.370 -0.404 -7.665 532 HD2 LYS 58 HD2 LYS 58 16.638 1.226 -9.373 533 HD3 LYS 58 HD1 LYS 58 18.220 0.483 -9.123 534 HE2 LYS 58 HE2 LYS 58 17.647 0.794 -11.514 535 HE3 LYS 58 HE1 LYS 58 17.944 -0.888 -11.079 536 HZ1 LYS 58 HZ1 LYS 58 15.854 -1.459 -11.568 537 HZ2 LYS 58 HZ2 LYS 58 15.792 -0.006 -12.431 538 HZ3 LYS 58 HZ3 LYS 58 15.184 -0.077 -10.855 539 H SER 59 HN SER 59 18.072 -4.411 -10.087 540 HA SER 59 HA SER 59 19.308 -6.347 -8.239 541 HG SER 59 HG SER 59 17.214 -6.200 -10.979 542 HB2 SER 59 HB2 SER 59 19.633 -7.614 -10.553 543 HB3 SER 59 HB1 SER 59 18.132 -7.749 -9.637 Start of MODEL 25 1 HA MET -1 HA MET -1 12.584 0.268 12.615 2 H1 MET -1 HT1 MET -1 13.957 -0.800 14.009 3 H2 MET -1 HT2 MET -1 14.892 -1.503 12.753 4 H3 MET -1 HT3 MET -1 13.328 -2.113 13.106 5 HB2 MET -1 HB2 MET -1 15.389 0.291 12.007 6 HB3 MET -1 HB1 MET -1 14.482 0.569 10.526 7 HG2 MET -1 HG2 MET -1 13.329 2.433 11.543 8 HG3 MET -1 HG1 MET -1 14.139 2.127 13.077 9 HE1 MET -1 HE1 MET -1 15.937 3.203 13.848 10 HE2 MET -1 HE2 MET -1 15.343 4.743 13.227 11 HE3 MET -1 HE3 MET -1 17.033 4.294 13.000 12 H ASP 0 HN ASP 0 13.858 -2.645 11.241 13 HA ASP 0 HA ASP 0 11.870 -2.481 9.072 14 HB2 ASP 0 HB2 ASP 0 14.429 -2.635 8.550 15 HB3 ASP 0 HB1 ASP 0 14.226 -4.334 8.966 16 H GLU 1 HN GLU 1 10.283 -3.940 9.069 17 HA GLU 1 HA GLU 1 8.970 -5.696 9.672 18 HB2 GLU 1 HB2 GLU 1 11.518 -6.751 9.067 19 HB3 GLU 1 HB1 GLU 1 10.965 -7.594 10.507 20 HG2 GLU 1 HG2 GLU 1 9.017 -7.303 8.306 21 HG3 GLU 1 HG1 GLU 1 10.381 -8.387 8.032 22 H LYS 2 HN LYS 2 9.596 -3.778 11.673 23 HA LYS 2 HA LYS 2 10.205 -5.092 14.137 24 HB2 LYS 2 HB2 LYS 2 9.202 -2.360 13.401 25 HB3 LYS 2 HB1 LYS 2 9.241 -2.875 15.082 26 HG2 LYS 2 HG2 LYS 2 11.731 -3.308 13.585 27 HG3 LYS 2 HG1 LYS 2 11.271 -1.621 13.824 28 HD2 LYS 2 HD2 LYS 2 11.637 -1.703 16.053 29 HD3 LYS 2 HD1 LYS 2 11.027 -3.353 16.195 30 HE2 LYS 2 HE2 LYS 2 13.094 -4.254 15.391 31 HE3 LYS 2 HE1 LYS 2 13.697 -2.647 14.991 32 HZ1 LYS 2 HZ1 LYS 2 14.578 -3.604 17.097 33 HZ2 LYS 2 HZ2 LYS 2 13.022 -3.499 17.751 34 HZ3 LYS 2 HZ3 LYS 2 13.837 -2.094 17.279 35 H ARG 3 HN ARG 3 7.220 -3.963 12.588 36 HA ARG 3 HA ARG 3 5.711 -5.868 14.185 37 HE ARG 3 HE ARG 3 4.463 -4.287 18.815 38 HB2 ARG 3 HB2 ARG 3 5.706 -3.014 14.690 39 HB3 ARG 3 HB1 ARG 3 4.098 -3.588 14.276 40 HG2 ARG 3 HG2 ARG 3 3.859 -4.705 16.203 41 HG3 ARG 3 HG1 ARG 3 5.534 -5.261 16.208 42 HD2 ARG 3 HD2 ARG 3 6.269 -3.468 17.387 43 HD3 ARG 3 HD1 ARG 3 5.095 -2.374 16.660 44 HH11 ARG 3 HH11 ARG 3 3.975 -1.206 17.226 45 HH12 ARG 3 HH12 ARG 3 2.813 -0.661 18.384 46 HH21 ARG 3 HH21 ARG 3 2.935 -3.559 20.328 47 HH22 ARG 3 HH22 ARG 3 2.223 -1.991 20.141 48 HA PRO 4 HA PRO 4 4.004 -5.766 9.974 49 HB2 PRO 4 HB2 PRO 4 3.443 -8.371 9.781 50 HB3 PRO 4 HB1 PRO 4 5.106 -7.784 9.654 51 HG2 PRO 4 HG2 PRO 4 3.716 -9.051 11.979 52 HG3 PRO 4 HG1 PRO 4 5.366 -9.307 11.386 53 HD2 PRO 4 HD2 PRO 4 4.698 -7.674 13.510 54 HD3 PRO 4 HD1 PRO 4 6.181 -7.521 12.548 55 H ARG 5 HN ARG 5 1.912 -5.531 9.338 56 HA ARG 5 HA ARG 5 -0.253 -6.796 10.754 57 HE ARG 5 HE ARG 5 -3.816 -5.601 13.248 58 HB2 ARG 5 HB2 ARG 5 0.367 -4.724 12.105 59 HB3 ARG 5 HB1 ARG 5 -0.213 -3.783 10.738 60 HG2 ARG 5 HG2 ARG 5 -2.221 -3.863 11.674 61 HG3 ARG 5 HG1 ARG 5 -2.266 -5.572 11.234 62 HD2 ARG 5 HD2 ARG 5 -1.320 -6.177 13.384 63 HD3 ARG 5 HD1 ARG 5 -1.166 -4.475 13.817 64 HH11 ARG 5 HH11 ARG 5 -1.574 -4.164 15.517 65 HH12 ARG 5 HH12 ARG 5 -2.793 -3.847 16.702 66 HH21 ARG 5 HH21 ARG 5 -5.408 -5.184 14.813 67 HH22 ARG 5 HH22 ARG 5 -4.966 -4.426 16.306 68 H THR 6 HN THR 6 -1.239 -7.584 9.011 69 HA THR 6 HA THR 6 -1.919 -5.705 6.846 70 HB THR 6 HB THR 6 -2.062 -7.980 5.508 71 HG1 THR 6 HG1 THR 6 -0.219 -9.289 6.306 72 HG21 THR 6 HG21 THR 6 -0.451 -6.037 5.160 73 HG22 THR 6 HG22 THR 6 0.056 -7.631 4.599 74 HG23 THR 6 HG23 THR 6 0.696 -6.981 6.108 75 H ALA 7 HN ALA 7 -3.811 -5.291 8.235 76 HA ALA 7 HA ALA 7 -5.778 -7.434 8.375 77 HB1 ALA 7 HB1 ALA 7 -5.240 -5.049 9.860 78 HB2 ALA 7 HB2 ALA 7 -6.318 -6.388 10.253 79 HB3 ALA 7 HB3 ALA 7 -6.909 -5.033 9.294 80 H PHE 8 HN PHE 8 -5.222 -6.815 5.794 81 HA PHE 8 HA PHE 8 -7.409 -5.099 4.867 82 HD1 PHE 8 HD2 PHE 8 -3.431 -5.720 4.919 83 HD2 PHE 8 HD1 PHE 8 -6.015 -2.800 3.216 84 HE1 PHE 8 HE2 PHE 8 -1.906 -3.940 5.668 85 HE2 PHE 8 HE1 PHE 8 -4.494 -1.014 3.960 86 HZ PHE 8 HZ PHE 8 -2.437 -1.584 5.189 87 HB2 PHE 8 HB2 PHE 8 -5.153 -6.313 3.258 88 HB3 PHE 8 HB1 PHE 8 -6.303 -5.101 2.705 89 H SER 9 HN SER 9 -8.715 -5.847 3.048 90 HA SER 9 HA SER 9 -9.299 -8.715 3.300 91 HG SER 9 HG SER 9 -11.573 -6.985 0.998 92 HB2 SER 9 HB2 SER 9 -11.528 -8.245 2.720 93 HB3 SER 9 HB1 SER 9 -11.069 -6.875 3.733 94 H SER 10 HN SER 10 -9.982 -9.864 1.334 95 HA SER 10 HA SER 10 -8.093 -9.770 -0.689 96 HG SER 10 HG SER 10 -9.043 -12.671 -1.455 97 HB2 SER 10 HB2 SER 10 -10.739 -11.070 -0.345 98 HB3 SER 10 HB1 SER 10 -10.130 -10.954 -1.996 99 H GLU 11 HN GLU 11 -11.286 -8.271 -0.537 100 HA GLU 11 HA GLU 11 -11.305 -7.273 -3.186 101 HB2 GLU 11 HB2 GLU 11 -13.154 -7.447 -1.207 102 HB3 GLU 11 HB1 GLU 11 -12.768 -5.733 -1.134 103 HG2 GLU 11 HG2 GLU 11 -13.436 -7.050 -3.735 104 HG3 GLU 11 HG1 GLU 11 -14.702 -6.509 -2.634 105 H GLN 12 HN GLN 12 -10.377 -5.810 -0.083 106 HA GLN 12 HA GLN 12 -9.801 -3.249 -1.119 107 HB2 GLN 12 HB2 GLN 12 -8.765 -4.672 1.337 108 HB3 GLN 12 HB1 GLN 12 -8.443 -2.981 0.979 109 HG2 GLN 12 HG2 GLN 12 -10.752 -2.425 1.164 110 HG3 GLN 12 HG1 GLN 12 -11.207 -4.125 1.273 111 HE21 GLN 12 HE21 GLN 12 -11.217 -1.556 3.061 112 HE22 GLN 12 HE22 GLN 12 -10.741 -2.178 4.600 113 H LEU 13 HN LEU 13 -7.782 -6.107 -0.576 114 HA LEU 13 HA LEU 13 -5.352 -4.893 -1.376 115 HG LEU 13 HG LEU 13 -5.538 -7.099 1.012 116 HB2 LEU 13 HB2 LEU 13 -6.289 -7.721 -1.077 117 HB3 LEU 13 HB1 LEU 13 -4.750 -7.395 -1.847 118 HD11 LEU 13 HD11 LEU 13 -4.217 -9.013 0.004 119 HD12 LEU 13 HD12 LEU 13 -3.511 -8.221 1.413 120 HD13 LEU 13 HD13 LEU 13 -2.898 -7.859 -0.201 121 HD21 LEU 13 HD21 LEU 13 -4.851 -4.855 0.586 122 HD22 LEU 13 HD22 LEU 13 -3.472 -5.396 -0.371 123 HD23 LEU 13 HD23 LEU 13 -3.503 -5.678 1.369 124 H ALA 14 HN ALA 14 -7.916 -6.563 -3.097 125 HA ALA 14 HA ALA 14 -6.605 -6.939 -5.548 126 HB1 ALA 14 HB1 ALA 14 -9.455 -6.307 -5.768 127 HB2 ALA 14 HB2 ALA 14 -9.084 -7.549 -4.575 128 HB3 ALA 14 HB3 ALA 14 -8.572 -7.756 -6.249 129 H ARG 15 HN ARG 15 -8.626 -4.259 -4.380 130 HA ARG 15 HA ARG 15 -8.445 -2.707 -6.735 131 HE ARG 15 HE ARG 15 -13.096 -3.356 -6.374 132 HB2 ARG 15 HB2 ARG 15 -8.846 -1.722 -3.905 133 HB3 ARG 15 HB1 ARG 15 -9.259 -0.859 -5.380 134 HG2 ARG 15 HG2 ARG 15 -10.483 -3.493 -4.612 135 HG3 ARG 15 HG1 ARG 15 -11.180 -1.929 -4.186 136 HD2 ARG 15 HD2 ARG 15 -10.980 -1.445 -6.729 137 HD3 ARG 15 HD1 ARG 15 -10.866 -3.198 -6.877 138 HH11 ARG 15 HH11 ARG 15 -11.977 -0.146 -5.589 139 HH12 ARG 15 HH12 ARG 15 -13.566 0.467 -5.275 140 HH21 ARG 15 HH21 ARG 15 -15.187 -2.554 -5.962 141 HH22 ARG 15 HH22 ARG 15 -15.389 -0.900 -5.486 142 H LEU 16 HN LEU 16 -6.591 -2.627 -3.710 143 HA LEU 16 HA LEU 16 -4.904 -0.492 -4.397 144 HG LEU 16 HG LEU 16 -5.983 -0.460 -2.122 145 HB2 LEU 16 HB2 LEU 16 -4.677 -2.775 -2.467 146 HB3 LEU 16 HB1 LEU 16 -3.336 -1.671 -2.697 147 HD11 LEU 16 HD11 LEU 16 -5.597 -2.508 -0.591 148 HD12 LEU 16 HD12 LEU 16 -6.034 -0.962 0.137 149 HD13 LEU 16 HD13 LEU 16 -4.356 -1.504 0.159 150 HD21 LEU 16 HD21 LEU 16 -3.255 0.136 -1.000 151 HD22 LEU 16 HD22 LEU 16 -4.675 1.181 -1.016 152 HD23 LEU 16 HD23 LEU 16 -3.843 0.802 -2.524 153 H LYS 17 HN LYS 17 -4.570 -3.985 -4.885 154 HA LYS 17 HA LYS 17 -1.945 -3.944 -5.897 155 HB2 LYS 17 HB2 LYS 17 -3.988 -5.886 -5.508 156 HB3 LYS 17 HB1 LYS 17 -3.431 -6.030 -7.166 157 HG2 LYS 17 HG2 LYS 17 -1.565 -7.035 -6.528 158 HG3 LYS 17 HG1 LYS 17 -1.199 -5.754 -5.373 159 HD2 LYS 17 HD2 LYS 17 -1.723 -7.103 -3.685 160 HD3 LYS 17 HD1 LYS 17 -3.347 -7.320 -4.340 161 HE2 LYS 17 HE2 LYS 17 -2.305 -9.047 -5.898 162 HE3 LYS 17 HE1 LYS 17 -0.886 -8.967 -4.855 163 HZ1 LYS 17 HZ1 LYS 17 -3.417 -10.251 -4.408 164 HZ2 LYS 17 HZ2 LYS 17 -2.923 -9.298 -3.101 165 HZ3 LYS 17 HZ3 LYS 17 -1.919 -10.532 -3.675 166 H ARG 18 HN ARG 18 -5.097 -3.634 -7.458 167 HA ARG 18 HA ARG 18 -4.237 -3.687 -10.125 168 HE ARG 18 HE ARG 18 -8.832 -5.799 -9.746 169 HB2 ARG 18 HB2 ARG 18 -6.661 -3.077 -8.692 170 HB3 ARG 18 HB1 ARG 18 -6.413 -1.896 -9.971 171 HG2 ARG 18 HG2 ARG 18 -6.402 -3.568 -11.641 172 HG3 ARG 18 HG1 ARG 18 -6.278 -4.859 -10.445 173 HD2 ARG 18 HD2 ARG 18 -8.560 -3.505 -9.693 174 HD3 ARG 18 HD1 ARG 18 -8.626 -3.462 -11.453 175 HH11 ARG 18 HH11 ARG 18 -8.386 -4.575 -12.988 176 HH12 ARG 18 HH12 ARG 18 -8.889 -6.048 -13.744 177 HH21 ARG 18 HH21 ARG 18 -9.488 -7.735 -10.743 178 HH22 ARG 18 HH22 ARG 18 -9.514 -7.841 -12.472 179 H GLU 19 HN GLU 19 -4.693 -0.982 -7.880 180 HA GLU 19 HA GLU 19 -3.865 1.020 -9.725 181 HB2 GLU 19 HB2 GLU 19 -4.607 0.879 -6.891 182 HB3 GLU 19 HB1 GLU 19 -3.377 2.088 -7.233 183 HG2 GLU 19 HG2 GLU 19 -6.061 1.882 -8.579 184 HG3 GLU 19 HG1 GLU 19 -5.622 3.028 -7.312 185 H PHE 20 HN PHE 20 -2.223 -1.039 -7.434 186 HA PHE 20 HA PHE 20 0.240 0.332 -7.343 187 HD1 PHE 20 HD2 PHE 20 1.604 -0.143 -4.987 188 HD2 PHE 20 HD1 PHE 20 1.805 -3.568 -7.503 189 HE1 PHE 20 HE2 PHE 20 3.987 -0.403 -4.435 190 HE2 PHE 20 HE1 PHE 20 4.187 -3.835 -6.956 191 HZ PHE 20 HZ PHE 20 5.283 -2.251 -5.421 192 HB2 PHE 20 HB2 PHE 20 -0.432 -1.407 -5.714 193 HB3 PHE 20 HB1 PHE 20 -0.278 -2.626 -6.976 194 H ASN 21 HN ASN 21 -1.031 -2.160 -9.493 195 HA ASN 21 HA ASN 21 1.358 -2.739 -10.858 196 HB2 ASN 21 HB2 ASN 21 -0.887 -3.996 -10.926 197 HB3 ASN 21 HB1 ASN 21 -1.362 -2.821 -12.151 198 HD21 ASN 21 HD21 ASN 21 0.926 -5.353 -11.357 199 HD22 ASN 21 HD22 ASN 21 1.362 -5.730 -12.986 200 H GLU 22 HN GLU 22 -0.971 -0.163 -11.191 201 HA GLU 22 HA GLU 22 0.124 0.776 -13.698 202 HB2 GLU 22 HB2 GLU 22 -1.885 2.017 -11.808 203 HB3 GLU 22 HB1 GLU 22 -1.459 2.663 -13.387 204 HG2 GLU 22 HG2 GLU 22 -2.200 0.406 -14.316 205 HG3 GLU 22 HG1 GLU 22 -2.937 0.141 -12.737 206 H ASN 23 HN ASN 23 0.383 1.488 -10.289 207 HA ASN 23 HA ASN 23 2.805 2.975 -10.717 208 HB2 ASN 23 HB2 ASN 23 0.458 4.454 -10.725 209 HB3 ASN 23 HB1 ASN 23 1.034 4.611 -9.069 210 HD21 ASN 23 HD21 ASN 23 3.072 5.539 -8.695 211 HD22 ASN 23 HD22 ASN 23 3.820 6.565 -9.867 212 H ARG 24 HN ARG 24 4.044 1.944 -9.277 213 HA ARG 24 HA ARG 24 3.002 0.816 -6.875 214 HE ARG 24 HE ARG 24 7.523 0.138 -9.699 215 HB2 ARG 24 HB2 ARG 24 5.277 0.124 -6.409 216 HB3 ARG 24 HB1 ARG 24 4.885 -0.195 -8.092 217 HG2 ARG 24 HG2 ARG 24 6.193 1.635 -8.835 218 HG3 ARG 24 HG1 ARG 24 6.382 2.249 -7.192 219 HD2 ARG 24 HD2 ARG 24 8.378 1.185 -7.368 220 HD3 ARG 24 HD1 ARG 24 7.405 -0.188 -6.842 221 HH11 ARG 24 HH11 ARG 24 9.066 -1.277 -6.906 222 HH12 ARG 24 HH12 ARG 24 9.868 -2.510 -7.817 223 HH21 ARG 24 HH21 ARG 24 8.578 -1.484 -10.899 224 HH22 ARG 24 HH22 ARG 24 9.592 -2.628 -10.085 225 H TYR 25 HN TYR 25 3.561 3.963 -7.563 226 HA TYR 25 HA TYR 25 4.594 4.633 -4.905 227 HD1 TYR 25 HD2 TYR 25 5.510 4.086 -8.159 228 HD2 TYR 25 HD1 TYR 25 7.099 7.264 -5.819 229 HE1 TYR 25 HE2 TYR 25 7.775 3.490 -8.900 230 HE2 TYR 25 HE1 TYR 25 9.369 6.679 -6.557 231 HH TYR 25 HH TYR 25 9.946 4.342 -9.069 232 HB2 TYR 25 HB2 TYR 25 4.181 6.374 -7.350 233 HB3 TYR 25 HB1 TYR 25 4.830 6.932 -5.813 234 H LEU 26 HN LEU 26 3.493 7.025 -4.371 235 HA LEU 26 HA LEU 26 0.619 6.875 -4.736 236 HG LEU 26 HG LEU 26 0.537 4.482 -2.963 237 HB2 LEU 26 HB2 LEU 26 1.988 6.181 -2.226 238 HB3 LEU 26 HB1 LEU 26 0.687 7.339 -2.045 239 HD11 LEU 26 HD11 LEU 26 0.354 5.003 -0.566 240 HD12 LEU 26 HD12 LEU 26 -1.148 4.347 -1.219 241 HD13 LEU 26 HD13 LEU 26 -1.001 6.079 -0.916 242 HD21 LEU 26 HD21 LEU 26 -1.564 6.615 -3.338 243 HD22 LEU 26 HD22 LEU 26 -1.849 4.881 -3.481 244 HD23 LEU 26 HD23 LEU 26 -0.760 5.689 -4.607 245 H THR 27 HN THR 27 -0.378 8.706 -3.242 246 HA THR 27 HA THR 27 1.304 11.057 -3.053 247 HB THR 27 HB THR 27 0.076 12.420 -4.564 248 HG1 THR 27 HG1 THR 27 -1.966 12.006 -4.702 249 HG21 THR 27 HG21 THR 27 0.230 11.315 -6.731 250 HG22 THR 27 HG22 THR 27 0.448 9.763 -5.924 251 HG23 THR 27 HG23 THR 27 1.666 11.025 -5.748 252 H GLU 28 HN GLU 28 0.026 12.920 -2.123 253 HA GLU 28 HA GLU 28 -1.302 12.134 0.195 254 HB2 GLU 28 HB2 GLU 28 -1.235 14.749 -1.298 255 HB3 GLU 28 HB1 GLU 28 -2.135 14.565 0.201 256 HG2 GLU 28 HG2 GLU 28 0.714 13.726 0.156 257 HG3 GLU 28 HG1 GLU 28 0.343 15.450 0.166 258 H ARG 29 HN ARG 29 -2.669 13.430 -2.823 259 HA ARG 29 HA ARG 29 -5.361 13.257 -2.078 260 HE ARG 29 HE ARG 29 -6.573 16.216 -6.624 261 HB2 ARG 29 HB2 ARG 29 -4.015 14.196 -4.259 262 HB3 ARG 29 HB1 ARG 29 -4.802 12.771 -4.923 263 HG2 ARG 29 HG2 ARG 29 -6.891 13.816 -3.657 264 HG3 ARG 29 HG1 ARG 29 -5.973 15.298 -3.925 265 HD2 ARG 29 HD2 ARG 29 -5.795 14.082 -6.360 266 HD3 ARG 29 HD1 ARG 29 -7.402 13.589 -5.830 267 HH11 ARG 29 HH11 ARG 29 -8.850 14.423 -4.678 268 HH12 ARG 29 HH12 ARG 29 -10.041 15.680 -4.690 269 HH21 ARG 29 HH21 ARG 29 -8.138 17.871 -6.637 270 HH22 ARG 29 HH22 ARG 29 -9.637 17.637 -5.802 271 H ARG 30 HN ARG 30 -3.228 10.889 -3.631 272 HA ARG 30 HA ARG 30 -5.247 8.979 -4.166 273 HE ARG 30 HE ARG 30 -1.000 6.842 -7.120 274 HB2 ARG 30 HB2 ARG 30 -2.261 8.914 -4.029 275 HB3 ARG 30 HB1 ARG 30 -3.145 7.396 -4.091 276 HG2 ARG 30 HG2 ARG 30 -3.832 7.717 -6.235 277 HG3 ARG 30 HG1 ARG 30 -3.837 9.475 -6.089 278 HD2 ARG 30 HD2 ARG 30 -1.858 9.534 -7.093 279 HD3 ARG 30 HD1 ARG 30 -1.169 8.638 -5.740 280 HH11 ARG 30 HH11 ARG 30 -3.519 8.915 -8.358 281 HH12 ARG 30 HH12 ARG 30 -3.802 7.944 -9.764 282 HH21 ARG 30 HH21 ARG 30 -1.369 5.564 -8.969 283 HH22 ARG 30 HH22 ARG 30 -2.581 6.041 -10.110 284 H ARG 31 HN ARG 31 -3.012 9.412 -1.454 285 HA ARG 31 HA ARG 31 -3.668 7.078 -0.051 286 HE ARG 31 HE ARG 31 -0.079 10.211 1.650 287 HB2 ARG 31 HB2 ARG 31 -2.117 9.439 0.399 288 HB3 ARG 31 HB1 ARG 31 -3.106 9.146 1.823 289 HG2 ARG 31 HG2 ARG 31 -1.931 7.339 2.422 290 HG3 ARG 31 HG1 ARG 31 -1.769 6.765 0.761 291 HD2 ARG 31 HD2 ARG 31 0.394 7.377 1.786 292 HD3 ARG 31 HD1 ARG 31 0.021 8.325 0.348 293 HH11 ARG 31 HH11 ARG 31 -0.097 7.398 3.714 294 HH12 ARG 31 HH12 ARG 31 0.110 8.311 5.170 295 HH21 ARG 31 HH21 ARG 31 0.192 11.414 3.566 296 HH22 ARG 31 HH22 ARG 31 0.274 10.590 5.086 297 H GLN 32 HN GLN 32 -4.984 10.360 0.156 298 HA GLN 32 HA GLN 32 -6.853 9.833 2.202 299 HB2 GLN 32 HB2 GLN 32 -5.983 12.093 1.196 300 HB3 GLN 32 HB1 GLN 32 -7.356 11.916 0.112 301 HG2 GLN 32 HG2 GLN 32 -8.439 11.441 2.602 302 HG3 GLN 32 HG1 GLN 32 -7.269 12.726 2.895 303 HE21 GLN 32 HE21 GLN 32 -9.551 11.907 0.299 304 HE22 GLN 32 HE22 GLN 32 -10.280 13.470 0.215 305 H GLN 33 HN GLN 33 -7.051 9.650 -1.315 306 HA GLN 33 HA GLN 33 -9.846 9.199 -1.449 307 HB2 GLN 33 HB2 GLN 33 -7.558 9.086 -3.298 308 HB3 GLN 33 HB1 GLN 33 -8.874 7.990 -3.700 309 HG2 GLN 33 HG2 GLN 33 -9.607 10.777 -3.042 310 HG3 GLN 33 HG1 GLN 33 -8.757 10.506 -4.563 311 HE21 GLN 33 HE21 GLN 33 -9.745 9.298 -6.179 312 HE22 GLN 33 HE22 GLN 33 -11.438 8.958 -6.170 313 H LEU 34 HN LEU 34 -7.067 6.981 -1.595 314 HA LEU 34 HA LEU 34 -8.603 4.614 -1.726 315 HG LEU 34 HG LEU 34 -6.558 4.974 -3.439 316 HB2 LEU 34 HB2 LEU 34 -5.761 5.242 -1.018 317 HB3 LEU 34 HB1 LEU 34 -6.384 3.624 -0.757 318 HD11 LEU 34 HD11 LEU 34 -4.322 3.267 -2.360 319 HD12 LEU 34 HD12 LEU 34 -4.219 4.960 -2.840 320 HD13 LEU 34 HD13 LEU 34 -4.528 3.718 -4.053 321 HD21 LEU 34 HD21 LEU 34 -7.904 2.872 -2.719 322 HD22 LEU 34 HD22 LEU 34 -6.360 2.041 -2.904 323 HD23 LEU 34 HD23 LEU 34 -7.078 2.884 -4.277 324 H SER 35 HN SER 35 -7.310 6.494 0.948 325 HA SER 35 HA SER 35 -7.773 4.671 3.023 326 HG SER 35 HG SER 35 -7.692 8.684 3.622 327 HB2 SER 35 HB2 SER 35 -7.758 6.691 4.494 328 HB3 SER 35 HB1 SER 35 -6.398 6.640 3.373 329 H SER 36 HN SER 36 -9.782 7.327 1.813 330 HA SER 36 HA SER 36 -11.976 6.783 3.533 331 HG SER 36 HG SER 36 -11.550 10.075 2.325 332 HB2 SER 36 HB2 SER 36 -11.761 8.393 0.985 333 HB3 SER 36 HB1 SER 36 -13.227 8.310 1.963 334 H GLU 37 HN GLU 37 -11.352 6.024 0.122 335 HA GLU 37 HA GLU 37 -13.827 4.802 -0.396 336 HB2 GLU 37 HB2 GLU 37 -12.022 5.604 -2.043 337 HB3 GLU 37 HB1 GLU 37 -11.275 4.034 -1.784 338 HG2 GLU 37 HG2 GLU 37 -12.638 3.110 -3.255 339 HG3 GLU 37 HG1 GLU 37 -14.040 3.642 -2.329 340 H LEU 38 HN LEU 38 -10.705 3.365 0.551 341 HA LEU 38 HA LEU 38 -11.887 0.725 0.645 342 HG LEU 38 HG LEU 38 -9.425 2.042 -0.905 343 HB2 LEU 38 HB2 LEU 38 -9.134 1.611 1.500 344 HB3 LEU 38 HB1 LEU 38 -9.666 -0.043 1.268 345 HD11 LEU 38 HD11 LEU 38 -7.312 1.024 0.180 346 HD12 LEU 38 HD12 LEU 38 -7.454 1.030 -1.578 347 HD13 LEU 38 HD13 LEU 38 -7.783 -0.447 -0.671 348 HD21 LEU 38 HD21 LEU 38 -10.286 0.563 -2.397 349 HD22 LEU 38 HD22 LEU 38 -11.172 0.033 -0.969 350 HD23 LEU 38 HD23 LEU 38 -9.735 -0.846 -1.490 351 H GLY 39 HN GLY 39 -11.291 3.314 2.849 352 HA2 GLY 39 HA2 GLY 39 -12.188 3.503 4.996 353 HA3 GLY 39 HA1 GLY 39 -12.567 1.788 4.963 354 H LEU 40 HN LEU 40 -9.401 3.169 4.294 355 HA LEU 40 HA LEU 40 -8.430 2.028 6.832 356 HG LEU 40 HG LEU 40 -8.968 0.337 4.648 357 HB2 LEU 40 HB2 LEU 40 -6.907 2.060 4.227 358 HB3 LEU 40 HB1 LEU 40 -6.405 1.313 5.732 359 HD11 LEU 40 HD11 LEU 40 -6.490 -0.673 3.325 360 HD12 LEU 40 HD12 LEU 40 -7.324 0.738 2.674 361 HD13 LEU 40 HD13 LEU 40 -8.171 -0.802 2.811 362 HD21 LEU 40 HD21 LEU 40 -6.767 -1.502 5.256 363 HD22 LEU 40 HD22 LEU 40 -8.436 -1.498 5.825 364 HD23 LEU 40 HD23 LEU 40 -7.240 -0.454 6.593 365 H ASN 41 HN ASN 41 -6.305 2.979 7.523 366 HA ASN 41 HA ASN 41 -6.484 5.856 7.319 367 HB2 ASN 41 HB2 ASN 41 -4.505 5.748 8.942 368 HB3 ASN 41 HB1 ASN 41 -6.046 5.115 9.509 369 HD21 ASN 41 HD21 ASN 41 -2.818 4.540 9.353 370 HD22 ASN 41 HD22 ASN 41 -2.817 2.828 9.582 371 H GLU 42 HN GLU 42 -4.905 7.252 6.566 372 HA GLU 42 HA GLU 42 -3.640 6.651 4.200 373 HB2 GLU 42 HB2 GLU 42 -2.897 8.753 6.239 374 HB3 GLU 42 HB1 GLU 42 -2.287 8.709 4.590 375 HG2 GLU 42 HG2 GLU 42 -4.012 9.981 4.038 376 HG3 GLU 42 HG1 GLU 42 -5.029 8.562 4.282 377 H ALA 43 HN ALA 43 -2.351 6.427 7.473 378 HA ALA 43 HA ALA 43 0.332 5.933 6.771 379 HB1 ALA 43 HB1 ALA 43 -0.832 4.733 9.236 380 HB2 ALA 43 HB2 ALA 43 -0.792 6.488 9.076 381 HB3 ALA 43 HB3 ALA 43 0.707 5.562 9.002 382 H GLN 44 HN GLN 44 -2.450 3.801 7.148 383 HA GLN 44 HA GLN 44 -0.977 1.374 7.040 384 HB2 GLN 44 HB2 GLN 44 -3.553 2.002 7.639 385 HB3 GLN 44 HB1 GLN 44 -3.748 1.329 6.028 386 HG2 GLN 44 HG2 GLN 44 -4.019 -0.516 7.376 387 HG3 GLN 44 HG1 GLN 44 -2.316 -0.622 6.930 388 HE21 GLN 44 HE21 GLN 44 -4.485 0.569 9.452 389 HE22 GLN 44 HE22 GLN 44 -3.388 0.318 10.763 390 H ILE 45 HN ILE 45 -2.714 3.278 4.600 391 HA ILE 45 HA ILE 45 -2.249 1.500 2.454 392 HB ILE 45 HB ILE 45 -2.637 4.493 2.290 393 HG12 ILE 45 HG12 ILE 45 -4.923 2.722 1.756 394 HG13 ILE 45 HG11 ILE 45 -4.378 2.704 3.431 395 HG21 ILE 45 HG21 ILE 45 -3.581 2.603 0.203 396 HG22 ILE 45 HG22 ILE 45 -1.856 2.960 0.276 397 HG23 ILE 45 HG23 ILE 45 -3.018 4.267 0.053 398 HD11 ILE 45 HD11 ILE 45 -4.440 5.325 3.085 399 HD12 ILE 45 HD12 ILE 45 -5.870 4.401 3.542 400 HD13 ILE 45 HD13 ILE 45 -5.628 4.878 1.861 401 H LYS 46 HN LYS 46 -0.459 4.305 3.675 402 HA LYS 46 HA LYS 46 1.477 4.455 1.664 403 HB2 LYS 46 HB2 LYS 46 0.966 5.774 4.061 404 HB3 LYS 46 HB1 LYS 46 2.551 5.054 4.302 405 HG2 LYS 46 HG2 LYS 46 2.233 6.365 1.711 406 HG3 LYS 46 HG1 LYS 46 2.067 7.448 3.093 407 HD2 LYS 46 HD2 LYS 46 4.269 7.449 3.407 408 HD3 LYS 46 HD1 LYS 46 4.287 5.689 3.522 409 HE2 LYS 46 HE2 LYS 46 3.959 6.456 0.785 410 HE3 LYS 46 HE1 LYS 46 5.337 7.317 1.469 411 HZ1 LYS 46 HZ1 LYS 46 6.203 5.319 0.672 412 HZ2 LYS 46 HZ2 LYS 46 4.916 4.398 1.267 413 HZ3 LYS 46 HZ3 LYS 46 6.050 5.056 2.335 414 H ILE 47 HN ILE 47 1.474 2.621 4.715 415 HA ILE 47 HA ILE 47 4.056 1.518 4.393 416 HB ILE 47 HB ILE 47 1.705 0.404 5.936 417 HG12 ILE 47 HG12 ILE 47 4.050 1.886 7.092 418 HG13 ILE 47 HG11 ILE 47 2.661 2.763 6.460 419 HG21 ILE 47 HG21 ILE 47 3.199 -1.008 7.082 420 HG22 ILE 47 HG22 ILE 47 4.612 -0.184 6.426 421 HG23 ILE 47 HG23 ILE 47 3.613 -1.189 5.378 422 HD11 ILE 47 HD11 ILE 47 1.222 1.471 8.019 423 HD12 ILE 47 HD12 ILE 47 2.401 2.513 8.816 424 HD13 ILE 47 HD13 ILE 47 2.686 0.775 8.714 425 H TRP 48 HN TRP 48 0.844 0.406 3.414 426 HA TRP 48 HA TRP 48 1.570 -2.159 2.540 427 HD1 TRP 48 HD1 TRP 48 -1.014 -4.029 2.444 428 HE1 TRP 48 HE1 TRP 48 -1.618 -5.409 0.357 429 HE3 TRP 48 HE3 TRP 48 -0.330 -0.436 -1.134 430 HZ2 TRP 48 HZ2 TRP 48 -1.783 -5.027 -2.437 431 HZ3 TRP 48 HZ3 TRP 48 -0.730 -1.028 -3.488 432 HH2 TRP 48 HH2 TRP 48 -1.441 -3.275 -4.123 433 HB2 TRP 48 HB2 TRP 48 -0.772 -1.404 2.845 434 HB3 TRP 48 HB1 TRP 48 -0.607 -0.374 1.428 435 H PHE 49 HN PHE 49 1.407 0.926 0.793 436 HA PHE 49 HA PHE 49 2.190 -0.109 -1.716 437 HD1 PHE 49 HD1 PHE 49 2.406 1.925 -4.067 438 HD2 PHE 49 HD2 PHE 49 -0.510 2.208 -0.982 439 HE1 PHE 49 HE1 PHE 49 0.627 2.018 -5.764 440 HE2 PHE 49 HE2 PHE 49 -2.295 2.301 -2.672 441 HZ PHE 49 HZ PHE 49 -1.728 2.205 -5.067 442 HB2 PHE 49 HB2 PHE 49 1.816 2.548 -0.508 443 HB3 PHE 49 HB1 PHE 49 3.028 2.501 -1.784 444 H GLN 50 HN GLN 50 4.005 1.355 0.946 445 HA GLN 50 HA GLN 50 6.522 1.373 -0.314 446 HB2 GLN 50 HB2 GLN 50 5.719 2.499 1.896 447 HB3 GLN 50 HB1 GLN 50 6.211 0.986 2.645 448 HG2 GLN 50 HG2 GLN 50 8.271 1.961 0.892 449 HG3 GLN 50 HG1 GLN 50 7.806 3.197 2.059 450 HE21 GLN 50 HE21 GLN 50 7.230 1.808 4.277 451 HE22 GLN 50 HE22 GLN 50 8.615 0.947 4.845 452 H ASN 51 HN ASN 51 4.893 -1.049 1.683 453 HA ASN 51 HA ASN 51 7.087 -2.847 1.798 454 HB2 ASN 51 HB2 ASN 51 4.514 -2.699 2.918 455 HB3 ASN 51 HB1 ASN 51 4.534 -4.193 1.986 456 HD21 ASN 51 HD21 ASN 51 4.329 -4.062 4.777 457 HD22 ASN 51 HD22 ASN 51 5.740 -4.789 5.459 458 H LYS 52 HN LYS 52 4.293 -2.542 -0.342 459 HA LYS 52 HA LYS 52 4.756 -4.916 -1.808 460 HB2 LYS 52 HB2 LYS 52 2.773 -2.997 -1.728 461 HB3 LYS 52 HB1 LYS 52 3.490 -2.754 -3.314 462 HG2 LYS 52 HG2 LYS 52 1.599 -4.294 -3.392 463 HG3 LYS 52 HG1 LYS 52 3.103 -5.080 -3.877 464 HD2 LYS 52 HD2 LYS 52 3.089 -6.481 -2.109 465 HD3 LYS 52 HD1 LYS 52 2.467 -5.249 -1.009 466 HE2 LYS 52 HE2 LYS 52 0.547 -6.390 -1.082 467 HE3 LYS 52 HE1 LYS 52 0.339 -5.685 -2.684 468 HZ1 LYS 52 HZ1 LYS 52 0.087 -7.905 -3.118 469 HZ2 LYS 52 HZ2 LYS 52 1.203 -8.393 -1.945 470 HZ3 LYS 52 HZ3 LYS 52 1.745 -7.731 -3.404 471 H ARG 53 HN ARG 53 5.983 -1.651 -2.071 472 HA ARG 53 HA ARG 53 7.068 -1.864 -4.677 473 HE ARG 53 HE ARG 53 8.757 3.139 -5.265 474 HB2 ARG 53 HB2 ARG 53 6.684 0.231 -3.163 475 HB3 ARG 53 HB1 ARG 53 8.293 -0.132 -2.557 476 HG2 ARG 53 HG2 ARG 53 8.659 -0.238 -5.265 477 HG3 ARG 53 HG1 ARG 53 7.461 1.046 -5.092 478 HD2 ARG 53 HD2 ARG 53 9.552 1.286 -3.113 479 HD3 ARG 53 HD1 ARG 53 10.219 1.252 -4.742 480 HH11 ARG 53 HH11 ARG 53 9.340 2.458 -1.881 481 HH12 ARG 53 HH12 ARG 53 8.980 4.072 -1.374 482 HH21 ARG 53 HH21 ARG 53 8.287 5.253 -4.585 483 HH22 ARG 53 HH22 ARG 53 8.383 5.655 -2.903 484 H ALA 54 HN ALA 54 8.299 -2.633 -1.476 485 HA ALA 54 HA ALA 54 10.980 -3.125 -2.279 486 HB1 ALA 54 HB1 ALA 54 10.499 -4.644 0.015 487 HB2 ALA 54 HB2 ALA 54 9.443 -3.239 0.154 488 HB3 ALA 54 HB3 ALA 54 11.178 -3.019 -0.068 489 H LYS 55 HN LYS 55 8.128 -4.857 -2.810 490 HA LYS 55 HA LYS 55 9.187 -7.507 -2.688 491 HB2 LYS 55 HB2 LYS 55 6.744 -6.473 -4.139 492 HB3 LYS 55 HB1 LYS 55 7.111 -8.162 -3.816 493 HG2 LYS 55 HG2 LYS 55 6.698 -6.089 -1.676 494 HG3 LYS 55 HG1 LYS 55 5.435 -7.161 -2.282 495 HD2 LYS 55 HD2 LYS 55 6.088 -8.582 -0.684 496 HD3 LYS 55 HD1 LYS 55 7.495 -8.893 -1.702 497 HE2 LYS 55 HE2 LYS 55 8.883 -7.843 -0.295 498 HE3 LYS 55 HE1 LYS 55 7.765 -6.501 -0.052 499 HZ1 LYS 55 HZ1 LYS 55 7.718 -7.400 2.012 500 HZ2 LYS 55 HZ2 LYS 55 8.072 -8.967 1.481 501 HZ3 LYS 55 HZ3 LYS 55 6.504 -8.354 1.319 502 H ILE 56 HN ILE 56 8.569 -5.199 -5.313 503 HA ILE 56 HA ILE 56 9.743 -7.000 -7.264 504 HB ILE 56 HB ILE 56 8.743 -4.177 -7.653 505 HG12 ILE 56 HG12 ILE 56 6.944 -5.847 -8.879 506 HG13 ILE 56 HG11 ILE 56 7.367 -6.766 -7.438 507 HG21 ILE 56 HG21 ILE 56 9.515 -6.351 -9.588 508 HG22 ILE 56 HG22 ILE 56 10.233 -4.748 -9.418 509 HG23 ILE 56 HG23 ILE 56 8.595 -4.918 -10.049 510 HD11 ILE 56 HD11 ILE 56 6.873 -4.630 -6.143 511 HD12 ILE 56 HD12 ILE 56 5.504 -5.506 -6.828 512 HD13 ILE 56 HD13 ILE 56 6.112 -4.055 -7.626 513 H LYS 57 HN LYS 57 10.481 -3.879 -5.754 514 HA LYS 57 HA LYS 57 13.038 -3.763 -7.138 515 HB2 LYS 57 HB2 LYS 57 11.280 -1.853 -5.896 516 HB3 LYS 57 HB1 LYS 57 12.892 -1.706 -5.209 517 HG2 LYS 57 HG2 LYS 57 12.705 -1.895 -8.155 518 HG3 LYS 57 HG1 LYS 57 12.127 -0.408 -7.402 519 HD2 LYS 57 HD2 LYS 57 14.378 0.028 -7.838 520 HD3 LYS 57 HD1 LYS 57 14.362 -0.423 -6.132 521 HE2 LYS 57 HE2 LYS 57 15.997 -1.848 -6.693 522 HE3 LYS 57 HE1 LYS 57 14.701 -2.841 -7.353 523 HZ1 LYS 57 HZ1 LYS 57 16.573 -1.064 -8.775 524 HZ2 LYS 57 HZ2 LYS 57 15.083 -1.462 -9.468 525 HZ3 LYS 57 HZ3 LYS 57 16.193 -2.682 -9.091 526 H LYS 58 HN LYS 58 14.484 -5.158 -6.339 527 HA LYS 58 HA LYS 58 14.631 -6.112 -3.727 528 HB2 LYS 58 HB2 LYS 58 16.899 -5.835 -5.705 529 HB3 LYS 58 HB1 LYS 58 16.867 -6.903 -4.309 530 HG2 LYS 58 HG2 LYS 58 16.154 -8.456 -5.740 531 HG3 LYS 58 HG1 LYS 58 14.595 -7.636 -5.638 532 HD2 LYS 58 HD2 LYS 58 15.753 -6.127 -7.523 533 HD3 LYS 58 HD1 LYS 58 16.603 -7.646 -7.814 534 HE2 LYS 58 HE2 LYS 58 13.996 -8.456 -7.538 535 HE3 LYS 58 HE1 LYS 58 13.831 -6.907 -8.362 536 HZ1 LYS 58 HZ1 LYS 58 14.938 -9.406 -9.324 537 HZ2 LYS 58 HZ2 LYS 58 15.814 -8.025 -9.754 538 HZ3 LYS 58 HZ3 LYS 58 14.181 -8.155 -10.177 539 H SER 59 HN SER 59 16.002 -3.227 -5.171 540 HA SER 59 HA SER 59 17.890 -2.583 -3.214 541 HG SER 59 HG SER 59 18.976 -1.580 -5.094 542 HB2 SER 59 HB2 SER 59 16.242 -0.820 -5.033 543 HB3 SER 59 HB1 SER 59 17.526 -0.201 -3.994
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