NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602777 | 5jn6 | 30070 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 -0.219 -8.715 -10.317 2 HA MET 1 HA MET 1 2.005 -8.935 -9.545 3 HB2 MET 1 HB2 MET 1 3.111 -7.224 -10.811 4 HB3 MET 1 HB1 MET 1 2.128 -5.962 -10.082 5 HG2 MET 1 HG2 MET 1 4.347 -5.921 -9.152 6 HG3 MET 1 HG1 MET 1 3.191 -6.409 -7.915 7 HE1 MET 1 HE1 MET 1 5.000 -7.369 -6.309 8 HE2 MET 1 HE2 MET 1 6.237 -6.786 -7.424 9 HE3 MET 1 HE3 MET 1 6.304 -8.443 -6.819 10 H GLY 2 HN GLY 2 -0.274 -6.317 -8.825 11 HA2 GLY 2 HA2 GLY 2 0.259 -6.664 -5.970 12 HA3 GLY 2 HA1 GLY 2 -0.702 -5.383 -6.699 13 H LYS 3 HN LYS 3 -2.607 -5.591 -5.697 14 HA LYS 3 HA LYS 3 -4.278 -7.846 -6.326 15 HB2 LYS 3 HB2 LYS 3 -3.482 -7.338 -3.441 16 HB3 LYS 3 HB1 LYS 3 -4.882 -8.288 -3.903 17 HG2 LYS 3 HG2 LYS 3 -3.409 -9.884 -5.043 18 HG3 LYS 3 HG1 LYS 3 -2.012 -8.924 -4.553 19 HD2 LYS 3 HD2 LYS 3 -2.551 -9.332 -2.207 20 HD3 LYS 3 HD1 LYS 3 -3.975 -10.256 -2.691 21 HE2 LYS 3 HE2 LYS 3 -2.161 -11.771 -2.149 22 HE3 LYS 3 HE1 LYS 3 -2.518 -11.849 -3.873 23 HZ1 LYS 3 HZ1 LYS 3 -0.145 -11.786 -3.494 24 HZ2 LYS 3 HZ2 LYS 3 -0.283 -10.344 -2.624 25 HZ3 LYS 3 HZ3 LYS 3 -0.635 -10.367 -4.278 26 H ALA 4 HN ALA 4 -6.021 -6.821 -6.965 27 HA ALA 4 HA ALA 4 -6.703 -4.222 -5.911 28 HB1 ALA 4 HB1 ALA 4 -8.094 -5.897 -8.000 29 HB2 ALA 4 HB2 ALA 4 -6.876 -4.665 -8.325 30 HB3 ALA 4 HB3 ALA 4 -8.434 -4.206 -7.636 31 H TYR 5 HN TYR 5 -7.154 -4.896 -3.763 32 HA TYR 5 HA TYR 5 -9.697 -6.316 -3.459 33 HB2 TYR 5 HB2 TYR 5 -8.002 -7.439 -2.208 34 HB3 TYR 5 HB1 TYR 5 -7.403 -5.930 -1.531 35 HD1 TYR 5 HD1 TYR 5 -10.546 -7.964 -1.631 36 HD2 TYR 5 HD2 TYR 5 -8.037 -5.376 0.622 37 HE1 TYR 5 HE1 TYR 5 -12.016 -8.249 0.323 38 HE2 TYR 5 HE2 TYR 5 -9.495 -5.653 2.580 39 HH TYR 5 HH TYR 5 -11.834 -6.267 3.076 40 H TYR 6 HN TYR 6 -11.410 -5.227 -2.921 41 HA TYR 6 HA TYR 6 -11.070 -2.567 -1.738 42 HB2 TYR 6 HB2 TYR 6 -13.265 -3.686 -3.483 43 HB3 TYR 6 HB1 TYR 6 -13.418 -2.166 -2.610 44 HD1 TYR 6 HD1 TYR 6 -11.722 -3.892 -5.383 45 HD2 TYR 6 HD2 TYR 6 -12.233 -0.200 -3.334 46 HE1 TYR 6 HE1 TYR 6 -10.636 -2.708 -7.248 47 HE2 TYR 6 HE2 TYR 6 -11.152 0.988 -5.191 48 HH TYR 6 HH TYR 6 -10.575 -0.438 -8.203 49 H ASP 7 HN ASP 7 -11.815 -2.255 0.246 50 HA ASP 7 HA ASP 7 -13.136 -4.460 1.560 51 HB2 ASP 7 HB2 ASP 7 -11.299 -3.490 2.793 52 HB3 ASP 7 HB1 ASP 7 -11.949 -1.866 2.568 53 H ILE 8 HN ILE 8 -15.241 -4.569 1.385 54 HA ILE 8 HA ILE 8 -16.762 -2.114 0.948 55 HB ILE 8 HB ILE 8 -18.517 -3.469 0.001 56 HG12 ILE 8 HG12 ILE 8 -16.838 -5.896 0.695 57 HG13 ILE 8 HG11 ILE 8 -18.282 -5.395 1.566 58 HG21 ILE 8 HG21 ILE 8 -17.390 -4.353 -1.937 59 HG22 ILE 8 HG22 ILE 8 -15.880 -4.493 -1.039 60 HG23 ILE 8 HG23 ILE 8 -16.538 -2.899 -1.402 61 HD11 ILE 8 HD11 ILE 8 -18.791 -7.198 0.042 62 HD12 ILE 8 HD12 ILE 8 -18.153 -6.268 -1.313 63 HD13 ILE 8 HD13 ILE 8 -19.606 -5.721 -0.475 64 H VAL 9 HN VAL 9 -18.464 -1.550 2.175 65 HA VAL 9 HA VAL 9 -18.821 -3.062 4.683 66 HB VAL 9 HB VAL 9 -19.392 -0.129 4.164 67 HG11 VAL 9 HG11 VAL 9 -19.792 0.001 6.594 68 HG12 VAL 9 HG12 VAL 9 -19.589 -1.746 6.709 69 HG13 VAL 9 HG13 VAL 9 -20.935 -1.076 5.790 70 HG21 VAL 9 HG21 VAL 9 -17.205 -1.435 5.782 71 HG22 VAL 9 HG22 VAL 9 -17.522 0.298 5.694 72 HG23 VAL 9 HG23 VAL 9 -17.001 -0.576 4.254 73 H GLY 10 HN GLY 10 -20.833 -3.783 5.200 74 HA2 GLY 10 HA2 GLY 10 -22.867 -3.229 3.164 75 HA3 GLY 10 HA1 GLY 10 -22.739 -4.740 4.065 76 H SER 11 HN SER 11 -24.294 -1.880 3.794 77 HA SER 11 HA SER 11 -25.802 -2.312 6.205 78 HB2 SER 11 HB2 SER 11 -24.261 0.250 5.729 79 HB3 SER 11 HB1 SER 11 -25.533 0.075 6.939 80 HG SER 11 HG SER 11 -23.655 -1.890 7.114 81 H ASP 12 HN ASP 12 -27.893 -1.970 5.703 82 HA ASP 12 HA ASP 12 -28.619 -1.055 3.125 83 HB2 ASP 12 HB2 ASP 12 -30.908 -1.439 3.840 84 HB3 ASP 12 HB1 ASP 12 -29.890 -2.770 4.383 85 H ASN 13 HN ASN 13 -27.821 0.612 5.900 86 HA ASN 13 HA ASN 13 -29.364 2.942 4.995 87 HB2 ASN 13 HB2 ASN 13 -28.127 2.265 7.630 88 HB3 ASN 13 HB1 ASN 13 -28.647 3.904 7.246 89 HD21 ASN 13 HD21 ASN 13 -30.911 4.231 6.802 90 HD22 ASN 13 HD22 ASN 13 -32.081 3.147 7.470 91 H ARG 14 HN ARG 14 -26.130 1.736 5.531 92 HA ARG 14 HA ARG 14 -25.061 4.198 4.343 93 HB2 ARG 14 HB2 ARG 14 -23.787 2.857 6.744 94 HB3 ARG 14 HB1 ARG 14 -23.261 4.333 5.956 95 HG2 ARG 14 HG2 ARG 14 -25.845 3.993 7.471 96 HG3 ARG 14 HG1 ARG 14 -24.385 4.762 8.089 97 HD2 ARG 14 HD2 ARG 14 -25.981 5.676 5.702 98 HD3 ARG 14 HD1 ARG 14 -26.035 6.396 7.309 99 HE ARG 14 HE ARG 14 -23.955 6.698 5.312 100 HH11 ARG 14 HH11 ARG 14 -24.834 7.070 8.689 101 HH12 ARG 14 HH12 ARG 14 -23.660 8.297 8.994 102 HH21 ARG 14 HH21 ARG 14 -22.477 8.304 5.663 103 HH22 ARG 14 HH22 ARG 14 -22.269 9.014 7.236 104 H TRP 15 HN TRP 15 -24.520 3.197 2.420 105 HA TRP 15 HA TRP 15 -22.903 0.763 2.599 106 HB2 TRP 15 HB2 TRP 15 -24.932 0.676 1.180 107 HB3 TRP 15 HB1 TRP 15 -24.299 1.999 0.212 108 HD1 TRP 15 HD1 TRP 15 -23.706 -1.729 0.915 109 HE1 TRP 15 HE1 TRP 15 -22.284 -2.711 -0.984 110 HE3 TRP 15 HE3 TRP 15 -22.594 2.587 -1.606 111 HZ2 TRP 15 HZ2 TRP 15 -20.887 -1.799 -3.245 112 HZ3 TRP 15 HZ3 TRP 15 -21.204 2.433 -3.631 113 HH2 TRP 15 HH2 TRP 15 -20.370 0.290 -4.428 114 H GLY 16 HN GLY 16 -20.769 0.782 2.022 115 HA2 GLY 16 HA2 GLY 16 -19.793 3.090 0.551 116 HA3 GLY 16 HA1 GLY 16 -19.216 2.913 2.199 117 H ILE 17 HN ILE 17 -17.734 2.884 -0.342 118 HA ILE 17 HA ILE 17 -16.545 0.177 -0.198 119 HB ILE 17 HB ILE 17 -16.459 2.141 -2.513 120 HG12 ILE 17 HG12 ILE 17 -18.658 1.042 -2.238 121 HG13 ILE 17 HG11 ILE 17 -17.847 0.509 -3.706 122 HG21 ILE 17 HG21 ILE 17 -15.399 0.258 -3.749 123 HG22 ILE 17 HG22 ILE 17 -15.280 -0.622 -2.226 124 HG23 ILE 17 HG23 ILE 17 -14.405 0.893 -2.437 125 HD11 ILE 17 HD11 ILE 17 -17.873 -1.031 -1.119 126 HD12 ILE 17 HD12 ILE 17 -17.240 -1.571 -2.674 127 HD13 ILE 17 HD13 ILE 17 -18.969 -1.309 -2.468 128 H ARG 18 HN ARG 18 -14.604 0.103 0.731 129 HA ARG 18 HA ARG 18 -12.973 2.546 0.728 130 HB2 ARG 18 HB2 ARG 18 -13.631 1.798 2.959 131 HB3 ARG 18 HB1 ARG 18 -12.934 0.213 2.658 132 HG2 ARG 18 HG2 ARG 18 -10.722 1.391 2.341 133 HG3 ARG 18 HG1 ARG 18 -11.511 2.845 2.958 134 HD2 ARG 18 HD2 ARG 18 -10.402 1.805 4.796 135 HD3 ARG 18 HD1 ARG 18 -12.130 1.514 5.000 136 HE ARG 18 HE ARG 18 -11.802 -0.746 4.609 137 HH11 ARG 18 HH11 ARG 18 -8.772 1.031 4.053 138 HH12 ARG 18 HH12 ARG 18 -7.811 -0.402 3.971 139 HH21 ARG 18 HH21 ARG 18 -10.461 -2.634 4.500 140 HH22 ARG 18 HH22 ARG 18 -8.755 -2.469 4.180 141 H HIS 19 HN HIS 19 -11.262 2.464 -0.604 142 HA HIS 19 HA HIS 19 -10.333 -0.044 -1.693 143 HB2 HIS 19 HB2 HIS 19 -10.181 2.025 -3.040 144 HB3 HIS 19 HB1 HIS 19 -9.096 2.720 -1.844 145 HD1 HIS 19 HD1 HIS 19 -6.717 2.615 -2.539 146 HD2 HIS 19 HD2 HIS 19 -8.954 -0.482 -4.178 147 HE1 HIS 19 HE1 HIS 19 -5.127 1.338 -3.982 148 H ASP 20 HN ASP 20 -9.126 -1.408 -0.655 149 HA ASP 20 HA ASP 20 -7.907 -0.819 1.819 150 HB2 ASP 20 HB2 ASP 20 -8.763 -3.080 0.872 151 HB3 ASP 20 HB1 ASP 20 -7.200 -3.160 0.071 152 H ASP 21 HN ASP 21 -6.456 0.803 1.642 153 HA ASP 21 HA ASP 21 -4.504 0.998 -0.397 154 HB2 ASP 21 HB2 ASP 21 -3.554 2.784 1.122 155 HB3 ASP 21 HB1 ASP 21 -5.234 3.007 0.634 156 H ASP 22 HN ASP 22 -4.665 -0.680 2.575 157 HA ASP 22 HA ASP 22 -1.813 -1.362 2.349 158 HB2 ASP 22 HB2 ASP 22 -2.471 -0.205 4.487 159 HB3 ASP 22 HB1 ASP 22 -3.539 -1.565 4.822 160 HA PRO 23 HA PRO 23 -3.716 -5.096 0.604 161 HB2 PRO 23 HB2 PRO 23 -0.881 -5.897 1.133 162 HB3 PRO 23 HB1 PRO 23 -1.880 -6.203 -0.290 163 HG2 PRO 23 HG2 PRO 23 -0.046 -4.274 -0.306 164 HG3 PRO 23 HG1 PRO 23 -1.609 -4.056 -1.109 165 HD2 PRO 23 HD2 PRO 23 -0.595 -2.849 1.401 166 HD3 PRO 23 HD1 PRO 23 -1.794 -2.231 0.249 167 H THR 24 HN THR 24 -5.027 -5.615 2.410 168 HA THR 24 HA THR 24 -4.030 -6.767 4.797 169 HB THR 24 HB THR 24 -6.509 -7.563 4.986 170 HG1 THR 24 HG1 THR 24 -6.886 -5.733 2.869 171 HG21 THR 24 HG21 THR 24 -7.256 -5.312 5.522 172 HG22 THR 24 HG22 THR 24 -5.911 -4.625 4.612 173 HG23 THR 24 HG23 THR 24 -5.601 -5.548 6.082 174 H GLY 25 HN GLY 25 -5.198 -8.143 1.779 175 HA2 GLY 25 HA2 GLY 25 -4.517 -10.185 0.852 176 HA3 GLY 25 HA1 GLY 25 -3.804 -10.621 2.397 177 H ASP 26 HN ASP 26 -6.869 -9.533 3.050 178 HA ASP 26 HA ASP 26 -7.847 -12.294 3.142 179 HB2 ASP 26 HB2 ASP 26 -8.732 -9.826 4.609 180 HB3 ASP 26 HB1 ASP 26 -9.645 -11.338 4.598 181 H TYR 27 HN TYR 27 -8.735 -12.730 1.243 182 HA TYR 27 HA TYR 27 -11.307 -11.596 0.741 183 HB2 TYR 27 HB2 TYR 27 -10.891 -10.894 -1.577 184 HB3 TYR 27 HB1 TYR 27 -9.928 -9.953 -0.448 185 HD1 TYR 27 HD1 TYR 27 -9.859 -12.348 -3.185 186 HD2 TYR 27 HD2 TYR 27 -7.492 -10.281 -0.320 187 HE1 TYR 27 HE1 TYR 27 -7.838 -12.910 -4.461 188 HE2 TYR 27 HE2 TYR 27 -5.464 -10.836 -1.583 189 HH TYR 27 HH TYR 27 -5.606 -12.225 -4.755 190 H SER 28 HN SER 28 -12.627 -13.062 -0.242 191 HA SER 28 HA SER 28 -11.692 -15.665 -0.345 192 HB2 SER 28 HB2 SER 28 -14.218 -14.550 -1.594 193 HB3 SER 28 HB1 SER 28 -13.910 -16.253 -1.251 194 HG SER 28 HG SER 28 -14.018 -15.852 0.891 195 H SER 29 HN SER 29 -12.310 -13.265 -2.878 196 HA SER 29 HA SER 29 -10.384 -14.302 -4.645 197 HB2 SER 29 HB2 SER 29 -12.096 -16.032 -5.073 198 HB3 SER 29 HB1 SER 29 -13.272 -14.779 -5.466 199 HG SER 29 HG SER 29 -11.785 -15.933 -7.174 200 H LYS 30 HN LYS 30 -10.257 -13.008 -6.624 201 HA LYS 30 HA LYS 30 -10.712 -10.248 -6.160 202 HB2 LYS 30 HB2 LYS 30 -8.920 -11.163 -7.634 203 HB3 LYS 30 HB1 LYS 30 -10.155 -11.623 -8.798 204 HG2 LYS 30 HG2 LYS 30 -10.795 -9.246 -9.005 205 HG3 LYS 30 HG1 LYS 30 -9.477 -8.829 -7.906 206 HD2 LYS 30 HD2 LYS 30 -7.883 -9.827 -9.481 207 HD3 LYS 30 HD1 LYS 30 -9.226 -10.193 -10.568 208 HE2 LYS 30 HE2 LYS 30 -9.732 -7.793 -10.739 209 HE3 LYS 30 HE1 LYS 30 -8.365 -7.439 -9.686 210 HZ1 LYS 30 HZ1 LYS 30 -6.901 -8.458 -11.362 211 HZ2 LYS 30 HZ2 LYS 30 -7.733 -7.118 -11.964 212 HZ3 LYS 30 HZ3 LYS 30 -8.236 -8.676 -12.381 213 H GLU 31 HN GLU 31 -12.355 -12.637 -8.250 214 HA GLU 31 HA GLU 31 -14.200 -10.788 -9.333 215 HB2 GLU 31 HB2 GLU 31 -15.371 -12.689 -10.189 216 HB3 GLU 31 HB1 GLU 31 -13.642 -12.961 -10.396 217 HG2 GLU 31 HG2 GLU 31 -13.743 -14.323 -8.279 218 HG3 GLU 31 HG1 GLU 31 -15.499 -14.169 -8.389 219 H ALA 32 HN ALA 32 -14.209 -12.884 -6.523 220 HA ALA 32 HA ALA 32 -16.928 -12.642 -5.876 221 HB1 ALA 32 HB1 ALA 32 -14.597 -12.984 -4.013 222 HB2 ALA 32 HB2 ALA 32 -15.471 -14.289 -4.825 223 HB3 ALA 32 HB3 ALA 32 -16.289 -13.284 -3.621 224 H ALA 33 HN ALA 33 -14.152 -10.611 -5.139 225 HA ALA 33 HA ALA 33 -15.533 -8.920 -3.329 226 HB1 ALA 33 HB1 ALA 33 -13.064 -8.341 -4.964 227 HB2 ALA 33 HB2 ALA 33 -13.083 -9.084 -3.362 228 HB3 ALA 33 HB3 ALA 33 -13.627 -7.418 -3.571 229 H PHE 34 HN PHE 34 -14.609 -8.524 -6.770 230 HA PHE 34 HA PHE 34 -15.995 -6.083 -7.072 231 HB2 PHE 34 HB2 PHE 34 -15.063 -8.117 -9.083 232 HB3 PHE 34 HB1 PHE 34 -15.870 -6.622 -9.554 233 HD1 PHE 34 HD1 PHE 34 -12.802 -8.168 -8.699 234 HD2 PHE 34 HD2 PHE 34 -14.854 -4.441 -8.736 235 HE1 PHE 34 HE1 PHE 34 -10.647 -7.004 -8.579 236 HE2 PHE 34 HE2 PHE 34 -12.676 -3.257 -8.621 237 HZ PHE 34 HZ PHE 34 -10.570 -4.567 -8.540 238 H GLU 35 HN GLU 35 -17.002 -9.412 -7.741 239 HA GLU 35 HA GLU 35 -19.423 -8.881 -8.961 240 HB2 GLU 35 HB2 GLU 35 -18.410 -11.093 -8.937 241 HB3 GLU 35 HB1 GLU 35 -18.652 -11.211 -7.204 242 HG2 GLU 35 HG2 GLU 35 -21.077 -11.110 -7.541 243 HG3 GLU 35 HG1 GLU 35 -20.816 -11.028 -9.282 244 H ALA 36 HN ALA 36 -18.757 -9.604 -5.551 245 HA ALA 36 HA ALA 36 -21.407 -9.154 -4.689 246 HB1 ALA 36 HB1 ALA 36 -19.783 -10.436 -3.395 247 HB2 ALA 36 HB2 ALA 36 -20.539 -9.150 -2.451 248 HB3 ALA 36 HB3 ALA 36 -18.892 -8.948 -3.057 249 H ALA 37 HN ALA 37 -18.584 -7.032 -4.861 250 HA ALA 37 HA ALA 37 -19.658 -4.849 -3.478 251 HB1 ALA 37 HB1 ALA 37 -17.672 -4.730 -5.740 252 HB2 ALA 37 HB2 ALA 37 -17.272 -5.148 -4.076 253 HB3 ALA 37 HB3 ALA 37 -17.899 -3.540 -4.450 254 H CYS 38 HN CYS 38 -19.609 -5.488 -7.002 255 HA CYS 38 HA CYS 38 -21.066 -3.158 -7.614 256 HB2 CYS 38 HB2 CYS 38 -21.409 -4.128 -9.839 257 HB3 CYS 38 HB1 CYS 38 -19.729 -4.219 -9.312 258 HG CYS 38 HG CYS 38 -19.762 -6.931 -8.779 259 H ALA 39 HN ALA 39 -22.023 -6.489 -6.945 260 HA ALA 39 HA ALA 39 -24.723 -6.301 -7.631 261 HB1 ALA 39 HB1 ALA 39 -23.463 -8.011 -5.487 262 HB2 ALA 39 HB2 ALA 39 -23.601 -8.426 -7.193 263 HB3 ALA 39 HB3 ALA 39 -25.053 -8.256 -6.211 264 H ALA 40 HN ALA 40 -23.096 -5.802 -4.530 265 HA ALA 40 HA ALA 40 -25.402 -5.044 -3.077 266 HB1 ALA 40 HB1 ALA 40 -22.524 -4.293 -2.558 267 HB2 ALA 40 HB2 ALA 40 -23.317 -5.768 -2.006 268 HB3 ALA 40 HB3 ALA 40 -23.855 -4.201 -1.403 269 H ALA 41 HN ALA 41 -23.090 -3.219 -4.998 270 HA ALA 41 HA ALA 41 -23.910 -0.626 -4.275 271 HB1 ALA 41 HB1 ALA 41 -21.845 -1.085 -5.507 272 HB2 ALA 41 HB2 ALA 41 -22.846 0.099 -6.349 273 HB3 ALA 41 HB3 ALA 41 -22.790 -1.571 -6.914 274 H SER 42 HN SER 42 -25.080 -2.836 -6.767 275 HA SER 42 HA SER 42 -26.801 -1.046 -8.008 276 HB2 SER 42 HB2 SER 42 -27.123 -4.035 -7.688 277 HB3 SER 42 HB1 SER 42 -27.997 -3.025 -8.841 278 HG SER 42 HG SER 42 -25.173 -3.389 -8.741 279 H ASN 43 HN ASN 43 -27.315 -3.324 -5.339 280 HA ASN 43 HA ASN 43 -30.035 -2.764 -4.851 281 HB2 ASN 43 HB2 ASN 43 -29.001 -4.759 -3.939 282 HB3 ASN 43 HB1 ASN 43 -27.883 -3.791 -2.983 283 HD21 ASN 43 HD21 ASN 43 -28.490 -4.481 -0.989 284 HD22 ASN 43 HD22 ASN 43 -30.053 -4.223 -0.302 285 H ALA 44 HN ALA 44 -27.049 -1.350 -3.607 286 HA ALA 44 HA ALA 44 -28.142 0.184 -1.567 287 HB1 ALA 44 HB1 ALA 44 -26.111 1.582 -1.797 288 HB2 ALA 44 HB2 ALA 44 -25.728 0.726 -3.290 289 HB3 ALA 44 HB3 ALA 44 -25.763 -0.145 -1.758 290 H ILE 45 HN ILE 45 -27.403 1.141 -4.908 291 HA ILE 45 HA ILE 45 -28.519 3.736 -4.637 292 HB ILE 45 HB ILE 45 -28.090 2.130 -7.153 293 HG12 ILE 45 HG12 ILE 45 -26.267 4.177 -5.883 294 HG13 ILE 45 HG11 ILE 45 -26.060 2.438 -5.712 295 HG21 ILE 45 HG21 ILE 45 -29.578 4.065 -7.492 296 HG22 ILE 45 HG22 ILE 45 -28.021 4.337 -8.275 297 HG23 ILE 45 HG23 ILE 45 -28.381 5.115 -6.736 298 HD11 ILE 45 HD11 ILE 45 -25.800 2.269 -8.158 299 HD12 ILE 45 HD12 ILE 45 -24.569 3.277 -7.395 300 HD13 ILE 45 HD13 ILE 45 -25.909 4.027 -8.263 301 H LYS 46 HN LYS 46 -29.760 0.644 -5.655 302 HA LYS 46 HA LYS 46 -32.202 1.450 -6.746 303 HB2 LYS 46 HB2 LYS 46 -31.268 -0.810 -6.989 304 HB3 LYS 46 HB1 LYS 46 -31.562 -1.116 -5.285 305 HG2 LYS 46 HG2 LYS 46 -33.957 -0.929 -5.645 306 HG3 LYS 46 HG1 LYS 46 -33.684 -0.557 -7.348 307 HD2 LYS 46 HD2 LYS 46 -32.627 -2.751 -7.650 308 HD3 LYS 46 HD1 LYS 46 -32.919 -3.122 -5.949 309 HE2 LYS 46 HE2 LYS 46 -35.324 -2.923 -6.321 310 HE3 LYS 46 HE1 LYS 46 -35.028 -2.540 -8.017 311 HZ1 LYS 46 HZ1 LYS 46 -34.262 -5.083 -6.694 312 HZ2 LYS 46 HZ2 LYS 46 -34.090 -4.717 -8.338 313 HZ3 LYS 46 HZ3 LYS 46 -35.633 -4.871 -7.662 314 H PHE 47 HN PHE 47 -31.347 0.648 -3.386 315 HA PHE 47 HA PHE 47 -34.077 1.202 -2.543 316 HB2 PHE 47 HB2 PHE 47 -32.663 -0.763 -1.693 317 HB3 PHE 47 HB1 PHE 47 -31.820 0.430 -0.715 318 HD1 PHE 47 HD1 PHE 47 -35.241 -0.852 -1.436 319 HD2 PHE 47 HD2 PHE 47 -32.651 0.985 1.397 320 HE1 PHE 47 HE1 PHE 47 -36.984 -1.055 0.292 321 HE2 PHE 47 HE2 PHE 47 -34.385 0.785 3.123 322 HZ PHE 47 HZ PHE 47 -36.554 -0.236 2.575 323 H GLY 48 HN GLY 48 -31.418 3.063 -3.084 324 HA2 GLY 48 HA2 GLY 48 -31.204 5.361 -2.634 325 HA3 GLY 48 HA1 GLY 48 -32.500 5.223 -1.455 326 H HIS 49 HN HIS 49 -29.897 3.025 -1.305 327 HA HIS 49 HA HIS 49 -29.163 3.747 1.341 328 HB2 HIS 49 HB2 HIS 49 -27.784 2.056 -0.748 329 HB3 HIS 49 HB1 HIS 49 -27.240 2.162 0.928 330 HD2 HIS 49 HD2 HIS 49 -30.957 1.925 0.993 331 HE1 HIS 49 HE1 HIS 49 -29.607 -2.093 1.011 332 HE2 HIS 49 HE2 HIS 49 -31.514 -0.545 1.516 333 H GLU 50 HN GLU 50 -27.586 5.119 2.054 334 HA GLU 50 HA GLU 50 -26.541 7.098 0.379 335 HB2 GLU 50 HB2 GLU 50 -26.769 7.307 2.817 336 HB3 GLU 50 HB1 GLU 50 -25.466 6.146 3.039 337 HG2 GLU 50 HG2 GLU 50 -24.051 7.789 1.634 338 HG3 GLU 50 HG1 GLU 50 -25.337 8.944 1.969 339 H VAL 51 HN VAL 51 -24.745 7.197 -0.848 340 HA VAL 51 HA VAL 51 -23.047 4.809 -0.924 341 HB VAL 51 HB VAL 51 -24.086 5.258 -3.062 342 HG11 VAL 51 HG11 VAL 51 -23.710 7.365 -4.292 343 HG12 VAL 51 HG12 VAL 51 -22.908 8.029 -2.869 344 HG13 VAL 51 HG13 VAL 51 -24.618 7.608 -2.798 345 HG21 VAL 51 HG21 VAL 51 -21.789 4.444 -3.147 346 HG22 VAL 51 HG22 VAL 51 -21.189 6.101 -3.117 347 HG23 VAL 51 HG23 VAL 51 -22.111 5.524 -4.504 348 H ARG 52 HN ARG 52 -21.119 4.938 -0.020 349 HA ARG 52 HA ARG 52 -19.782 7.570 0.089 350 HB2 ARG 52 HB2 ARG 52 -20.471 6.361 2.282 351 HB3 ARG 52 HB1 ARG 52 -19.162 5.253 1.890 352 HG2 ARG 52 HG2 ARG 52 -18.290 6.818 3.419 353 HG3 ARG 52 HG1 ARG 52 -17.627 7.217 1.831 354 HD2 ARG 52 HD2 ARG 52 -20.138 8.559 2.709 355 HD3 ARG 52 HD1 ARG 52 -18.615 9.089 3.415 356 HE ARG 52 HE ARG 52 -17.851 9.573 1.151 357 HH11 ARG 52 HH11 ARG 52 -21.320 9.158 1.595 358 HH12 ARG 52 HH12 ARG 52 -21.745 10.118 0.234 359 HH21 ARG 52 HH21 ARG 52 -18.423 10.875 -0.677 360 HH22 ARG 52 HH22 ARG 52 -20.088 11.106 -1.068 361 H ILE 53 HN ILE 53 -18.076 7.681 -1.272 362 HA ILE 53 HA ILE 53 -16.791 5.174 -2.048 363 HB ILE 53 HB ILE 53 -16.757 7.873 -3.426 364 HG12 ILE 53 HG12 ILE 53 -18.159 5.317 -4.251 365 HG13 ILE 53 HG11 ILE 53 -18.954 6.693 -3.497 366 HG21 ILE 53 HG21 ILE 53 -14.707 6.610 -3.818 367 HG22 ILE 53 HG22 ILE 53 -15.681 6.689 -5.285 368 HG23 ILE 53 HG23 ILE 53 -15.653 5.210 -4.325 369 HD11 ILE 53 HD11 ILE 53 -19.317 6.722 -5.874 370 HD12 ILE 53 HD12 ILE 53 -17.579 6.666 -6.171 371 HD13 ILE 53 HD13 ILE 53 -18.299 8.086 -5.412 372 H THR 54 HN THR 54 -15.041 4.827 -0.803 373 HA THR 54 HA THR 54 -13.253 7.106 -0.479 374 HB THR 54 HB THR 54 -13.657 4.893 1.546 375 HG1 THR 54 HG1 THR 54 -14.769 7.435 1.204 376 HG21 THR 54 HG21 THR 54 -12.072 7.470 1.731 377 HG22 THR 54 HG22 THR 54 -11.371 5.870 1.502 378 HG23 THR 54 HG23 THR 54 -12.231 6.247 2.993 379 H VAL 55 HN VAL 55 -12.032 6.495 -2.229 380 HA VAL 55 HA VAL 55 -10.499 4.025 -1.837 381 HB VAL 55 HB VAL 55 -10.349 3.748 -4.332 382 HG11 VAL 55 HG11 VAL 55 -12.001 2.506 -2.920 383 HG12 VAL 55 HG12 VAL 55 -12.510 2.725 -4.592 384 HG13 VAL 55 HG13 VAL 55 -13.194 3.740 -3.323 385 HG21 VAL 55 HG21 VAL 55 -10.891 6.095 -4.917 386 HG22 VAL 55 HG22 VAL 55 -12.558 5.808 -4.407 387 HG23 VAL 55 HG23 VAL 55 -11.889 4.924 -5.779 388 HA PRO 56 HA PRO 56 -7.403 7.443 -1.831 389 HB2 PRO 56 HB2 PRO 56 -5.866 5.278 -0.510 390 HB3 PRO 56 HB1 PRO 56 -6.095 6.956 -0.006 391 HG2 PRO 56 HG2 PRO 56 -7.343 4.971 1.263 392 HG3 PRO 56 HG1 PRO 56 -8.156 6.520 0.973 393 HD2 PRO 56 HD2 PRO 56 -8.467 3.915 -0.457 394 HD3 PRO 56 HD1 PRO 56 -9.703 5.103 0.004 395 H GLY 57 HN GLY 57 -5.806 7.755 -3.307 396 HA2 GLY 57 HA2 GLY 57 -4.673 5.373 -4.625 397 HA3 GLY 57 HA1 GLY 57 -5.372 6.669 -5.585 398 H ASN 58 HN ASN 58 -4.017 8.145 -6.315 399 HA ASN 58 HA ASN 58 -1.260 8.096 -5.513 400 HB2 ASN 58 HB2 ASN 58 -2.070 8.496 -7.884 401 HB3 ASN 58 HB1 ASN 58 -2.590 10.092 -7.360 402 HD21 ASN 58 HD21 ASN 58 -1.051 11.680 -6.998 403 HD22 ASN 58 HD22 ASN 58 0.606 11.488 -7.442 404 H ASP 59 HN ASP 59 -3.973 9.606 -4.296 405 HA ASP 59 HA ASP 59 -2.719 12.078 -3.478 406 HB2 ASP 59 HB2 ASP 59 -4.855 12.452 -2.281 407 HB3 ASP 59 HB1 ASP 59 -5.109 12.053 -3.977 408 H GLY 60 HN GLY 60 -2.626 8.906 -2.464 409 HA2 GLY 60 HA2 GLY 60 -2.446 9.497 0.380 410 HA3 GLY 60 HA1 GLY 60 -2.346 7.905 -0.360 411 H SER 61 HN SER 61 -0.570 10.973 -0.300 412 HA SER 61 HA SER 61 1.920 9.868 -1.013 413 HB2 SER 61 HB2 SER 61 1.415 12.279 -1.200 414 HB3 SER 61 HB1 SER 61 1.358 12.403 0.556 415 HG SER 61 HG SER 61 3.594 11.819 -1.084 416 H GLU 62 HN GLU 62 0.436 10.493 2.142 417 HA GLU 62 HA GLU 62 2.675 9.840 3.722 418 HB2 GLU 62 HB2 GLU 62 -0.273 9.718 4.371 419 HB3 GLU 62 HB1 GLU 62 1.017 9.576 5.555 420 HG2 GLU 62 HG2 GLU 62 1.771 11.835 4.998 421 HG3 GLU 62 HG1 GLU 62 0.468 11.972 3.819 422 H THR 63 HN THR 63 0.084 7.893 2.355 423 HA THR 63 HA THR 63 0.976 5.507 3.734 424 HB THR 63 HB THR 63 -0.838 4.472 2.177 425 HG1 THR 63 HG1 THR 63 -2.432 6.078 1.636 426 HG21 THR 63 HG21 THR 63 -1.059 4.738 4.597 427 HG22 THR 63 HG22 THR 63 -2.579 5.096 3.777 428 HG23 THR 63 HG23 THR 63 -1.566 6.413 4.372 429 H ASN 64 HN ASN 64 2.755 6.870 1.813 430 HA ASN 64 HA ASN 64 4.113 6.469 0.035 431 HB2 ASN 64 HB2 ASN 64 5.167 4.207 0.013 432 HB3 ASN 64 HB1 ASN 64 5.149 4.959 1.598 433 HD21 ASN 64 HD21 ASN 64 3.721 2.479 -0.410 434 HD22 ASN 64 HD22 ASN 64 3.079 1.532 0.888 435 H LEU 65 HN LEU 65 1.481 6.566 -0.775 436 HA LEU 65 HA LEU 65 0.183 6.200 -2.577 437 HB2 LEU 65 HB2 LEU 65 2.654 4.856 -3.680 438 HB3 LEU 65 HB1 LEU 65 1.213 5.176 -4.619 439 HG LEU 65 HG LEU 65 2.721 6.863 -5.221 440 HD11 LEU 65 HD11 LEU 65 0.945 8.045 -3.109 441 HD12 LEU 65 HD12 LEU 65 0.507 7.711 -4.785 442 HD13 LEU 65 HD13 LEU 65 1.729 8.930 -4.418 443 HD21 LEU 65 HD21 LEU 65 3.950 8.267 -3.612 444 HD22 LEU 65 HD22 LEU 65 4.378 6.563 -3.469 445 HD23 LEU 65 HD23 LEU 65 3.294 7.301 -2.291 446 H GLY 66 HN GLY 66 -1.150 4.881 -1.278 447 HA2 GLY 66 HA2 GLY 66 -0.784 2.025 -1.232 448 HA3 GLY 66 HA1 GLY 66 -2.168 2.912 -0.602 449 H VAL 67 HN VAL 67 -0.659 2.404 -3.751 450 HA VAL 67 HA VAL 67 -3.305 2.160 -4.962 451 HB VAL 67 HB VAL 67 -0.617 2.145 -6.346 452 HG11 VAL 67 HG11 VAL 67 -3.436 2.479 -7.344 453 HG12 VAL 67 HG12 VAL 67 -2.294 1.191 -7.739 454 HG13 VAL 67 HG13 VAL 67 -2.003 2.836 -8.306 455 HG21 VAL 67 HG21 VAL 67 -1.056 4.498 -6.869 456 HG22 VAL 67 HG22 VAL 67 -0.902 4.224 -5.132 457 HG23 VAL 67 HG23 VAL 67 -2.496 4.448 -5.851 458 H ILE 68 HN ILE 68 -0.288 0.479 -5.732 459 HA ILE 68 HA ILE 68 0.124 -1.633 -6.416 460 HB ILE 68 HB ILE 68 -0.263 -3.380 -4.644 461 HG12 ILE 68 HG12 ILE 68 -0.891 -2.128 -2.363 462 HG13 ILE 68 HG11 ILE 68 -1.832 -1.134 -3.467 463 HG21 ILE 68 HG21 ILE 68 1.771 -2.086 -4.728 464 HG22 ILE 68 HG22 ILE 68 1.294 -2.361 -3.053 465 HG23 ILE 68 HG23 ILE 68 1.015 -0.788 -3.802 466 HD11 ILE 68 HD11 ILE 68 -2.072 -4.120 -3.177 467 HD12 ILE 68 HD12 ILE 68 -3.028 -3.095 -4.245 468 HD13 ILE 68 HD13 ILE 68 -3.170 -2.921 -2.496 469 H THR 69 HN THR 69 -2.526 -0.701 -7.357 470 HA THR 69 HA THR 69 -3.994 -3.209 -7.456 471 HB THR 69 HB THR 69 -5.332 -1.285 -6.809 472 HG1 THR 69 HG1 THR 69 -6.942 -1.407 -8.466 473 HG21 THR 69 HG21 THR 69 -4.221 0.587 -7.723 474 HG22 THR 69 HG22 THR 69 -5.771 0.537 -8.563 475 HG23 THR 69 HG23 THR 69 -4.312 -0.052 -9.358 476 H ASN 70 HN ASN 70 -2.519 -4.254 -8.851 477 HA ASN 70 HA ASN 70 -3.159 -3.859 -11.611 478 HB2 ASN 70 HB2 ASN 70 -0.875 -3.607 -12.432 479 HB3 ASN 70 HB1 ASN 70 -1.242 -2.307 -11.310 480 HD21 ASN 70 HD21 ASN 70 -0.305 -2.348 -9.242 481 HD22 ASN 70 HD22 ASN 70 1.139 -3.247 -8.930 Start of MODEL 2 1 H MET 1 HT1 MET 1 1.213 -1.286 -9.706 2 HA MET 1 HA MET 1 2.271 -3.179 -8.720 3 HB2 MET 1 HB2 MET 1 -0.278 -2.335 -7.332 4 HB3 MET 1 HB1 MET 1 1.007 -3.243 -6.551 5 HG2 MET 1 HG2 MET 1 2.561 -1.385 -6.996 6 HG3 MET 1 HG1 MET 1 1.232 -0.479 -7.716 7 HE1 MET 1 HE1 MET 1 -0.696 0.631 -6.414 8 HE2 MET 1 HE2 MET 1 -1.060 0.331 -4.715 9 HE3 MET 1 HE3 MET 1 -1.237 -0.965 -5.897 10 H GLY 2 HN GLY 2 -0.690 -3.874 -10.230 11 HA2 GLY 2 HA2 GLY 2 -1.428 -5.940 -10.963 12 HA3 GLY 2 HA1 GLY 2 -0.175 -6.698 -9.993 13 H LYS 3 HN LYS 3 -0.635 -6.184 -7.512 14 HA LYS 3 HA LYS 3 -2.945 -7.683 -6.847 15 HB2 LYS 3 HB2 LYS 3 -0.764 -7.490 -5.544 16 HB3 LYS 3 HB1 LYS 3 -1.344 -5.935 -4.973 17 HG2 LYS 3 HG2 LYS 3 -1.821 -7.500 -3.274 18 HG3 LYS 3 HG1 LYS 3 -3.360 -7.157 -4.064 19 HD2 LYS 3 HD2 LYS 3 -3.195 -9.193 -5.355 20 HD3 LYS 3 HD1 LYS 3 -1.597 -9.525 -4.684 21 HE2 LYS 3 HE2 LYS 3 -2.611 -9.685 -2.438 22 HE3 LYS 3 HE1 LYS 3 -4.198 -9.410 -3.152 23 HZ1 LYS 3 HZ1 LYS 3 -3.762 -11.771 -2.777 24 HZ2 LYS 3 HZ2 LYS 3 -2.404 -11.691 -3.774 25 HZ3 LYS 3 HZ3 LYS 3 -3.936 -11.446 -4.429 26 H ALA 4 HN ALA 4 -4.992 -6.999 -6.415 27 HA ALA 4 HA ALA 4 -5.456 -4.212 -5.684 28 HB1 ALA 4 HB1 ALA 4 -7.163 -3.896 -7.394 29 HB2 ALA 4 HB2 ALA 4 -6.824 -5.498 -8.042 30 HB3 ALA 4 HB3 ALA 4 -5.597 -4.236 -8.129 31 H TYR 5 HN TYR 5 -6.270 -4.696 -3.737 32 HA TYR 5 HA TYR 5 -8.762 -6.235 -3.717 33 HB2 TYR 5 HB2 TYR 5 -7.101 -7.653 -2.673 34 HB3 TYR 5 HB1 TYR 5 -6.565 -6.333 -1.640 35 HD1 TYR 5 HD1 TYR 5 -9.522 -8.472 -2.382 36 HD2 TYR 5 HD2 TYR 5 -7.517 -6.046 0.480 37 HE1 TYR 5 HE1 TYR 5 -11.118 -9.195 -0.656 38 HE2 TYR 5 HE2 TYR 5 -9.109 -6.766 2.212 39 HH TYR 5 HH TYR 5 -11.074 -9.398 1.900 40 H TYR 6 HN TYR 6 -10.446 -5.241 -2.800 41 HA TYR 6 HA TYR 6 -9.895 -3.170 -0.846 42 HB2 TYR 6 HB2 TYR 6 -11.577 -1.664 -1.780 43 HB3 TYR 6 HB1 TYR 6 -10.323 -1.989 -2.967 44 HD1 TYR 6 HD1 TYR 6 -13.838 -2.210 -2.171 45 HD2 TYR 6 HD2 TYR 6 -10.839 -3.477 -4.898 46 HE1 TYR 6 HE1 TYR 6 -15.577 -2.797 -3.792 47 HE2 TYR 6 HE2 TYR 6 -12.576 -4.072 -6.532 48 HH TYR 6 HH TYR 6 -14.930 -4.634 -6.579 49 H ASP 7 HN ASP 7 -10.917 -3.541 0.910 50 HA ASP 7 HA ASP 7 -12.946 -5.576 0.994 51 HB2 ASP 7 HB2 ASP 7 -11.250 -5.821 2.630 52 HB3 ASP 7 HB1 ASP 7 -11.330 -4.132 3.085 53 H ILE 8 HN ILE 8 -15.057 -5.256 1.247 54 HA ILE 8 HA ILE 8 -15.966 -2.468 1.234 55 HB ILE 8 HB ILE 8 -18.031 -3.311 0.207 56 HG12 ILE 8 HG12 ILE 8 -16.638 -5.999 0.163 57 HG13 ILE 8 HG11 ILE 8 -17.942 -5.581 1.263 58 HG21 ILE 8 HG21 ILE 8 -16.179 -2.591 -1.204 59 HG22 ILE 8 HG22 ILE 8 -17.071 -3.910 -1.956 60 HG23 ILE 8 HG23 ILE 8 -15.521 -4.226 -1.179 61 HD11 ILE 8 HD11 ILE 8 -19.432 -5.263 -0.656 62 HD12 ILE 8 HD12 ILE 8 -18.763 -6.893 -0.583 63 HD13 ILE 8 HD13 ILE 8 -18.113 -5.726 -1.731 64 H VAL 9 HN VAL 9 -17.823 -1.831 2.328 65 HA VAL 9 HA VAL 9 -18.749 -3.611 4.471 66 HB VAL 9 HB VAL 9 -19.178 -1.562 5.857 67 HG11 VAL 9 HG11 VAL 9 -17.197 -2.902 6.270 68 HG12 VAL 9 HG12 VAL 9 -16.842 -1.191 6.521 69 HG13 VAL 9 HG13 VAL 9 -16.307 -1.998 5.046 70 HG21 VAL 9 HG21 VAL 9 -17.538 -0.165 3.736 71 HG22 VAL 9 HG22 VAL 9 -18.025 0.532 5.280 72 HG23 VAL 9 HG23 VAL 9 -19.247 0.109 4.081 73 H GLY 10 HN GLY 10 -20.931 -3.916 4.514 74 HA2 GLY 10 HA2 GLY 10 -22.481 -2.169 2.718 75 HA3 GLY 10 HA1 GLY 10 -22.684 -3.909 2.736 76 H SER 11 HN SER 11 -23.854 -1.027 3.841 77 HA SER 11 HA SER 11 -25.531 -2.437 5.791 78 HB2 SER 11 HB2 SER 11 -24.686 0.482 5.866 79 HB3 SER 11 HB1 SER 11 -25.759 -0.307 7.020 80 HG SER 11 HG SER 11 -23.998 -0.725 8.069 81 H ASP 12 HN ASP 12 -27.763 -1.831 5.725 82 HA ASP 12 HA ASP 12 -28.664 -1.311 3.078 83 HB2 ASP 12 HB2 ASP 12 -30.869 -1.642 3.904 84 HB3 ASP 12 HB1 ASP 12 -29.800 -2.837 4.637 85 H ASN 13 HN ASN 13 -27.823 0.782 5.545 86 HA ASN 13 HA ASN 13 -29.454 2.876 4.297 87 HB2 ASN 13 HB2 ASN 13 -28.995 4.193 6.384 88 HB3 ASN 13 HB1 ASN 13 -30.087 2.820 6.553 89 HD21 ASN 13 HD21 ASN 13 -29.714 2.707 8.767 90 HD22 ASN 13 HD22 ASN 13 -28.234 2.116 9.428 91 H ARG 14 HN ARG 14 -26.263 1.886 5.143 92 HA ARG 14 HA ARG 14 -25.242 4.200 3.689 93 HB2 ARG 14 HB2 ARG 14 -25.076 4.379 6.241 94 HB3 ARG 14 HB1 ARG 14 -23.890 3.087 6.121 95 HG2 ARG 14 HG2 ARG 14 -22.535 4.471 4.645 96 HG3 ARG 14 HG1 ARG 14 -23.715 5.774 4.793 97 HD2 ARG 14 HD2 ARG 14 -23.363 5.554 7.299 98 HD3 ARG 14 HD1 ARG 14 -21.928 4.614 6.881 99 HE ARG 14 HE ARG 14 -22.289 7.267 5.714 100 HH11 ARG 14 HH11 ARG 14 -20.440 5.128 7.790 101 HH12 ARG 14 HH12 ARG 14 -19.239 6.314 8.147 102 HH21 ARG 14 HH21 ARG 14 -20.760 8.820 6.207 103 HH22 ARG 14 HH22 ARG 14 -19.423 8.451 7.249 104 H TRP 15 HN TRP 15 -24.023 3.527 2.106 105 HA TRP 15 HA TRP 15 -22.724 0.911 2.347 106 HB2 TRP 15 HB2 TRP 15 -24.622 0.652 0.943 107 HB3 TRP 15 HB1 TRP 15 -24.261 2.132 0.070 108 HD1 TRP 15 HD1 TRP 15 -23.088 -1.525 0.329 109 HE1 TRP 15 HE1 TRP 15 -21.696 -2.092 -1.765 110 HE3 TRP 15 HE3 TRP 15 -22.821 3.130 -1.764 111 HZ2 TRP 15 HZ2 TRP 15 -20.635 -0.744 -4.001 112 HZ3 TRP 15 HZ3 TRP 15 -21.603 3.406 -3.878 113 HH2 TRP 15 HH2 TRP 15 -20.531 1.506 -4.974 114 H GLY 16 HN GLY 16 -20.574 0.895 1.918 115 HA2 GLY 16 HA2 GLY 16 -19.459 3.196 0.503 116 HA3 GLY 16 HA1 GLY 16 -18.922 2.895 2.145 117 H ILE 17 HN ILE 17 -17.508 2.916 -0.441 118 HA ILE 17 HA ILE 17 -16.463 0.165 -0.497 119 HB ILE 17 HB ILE 17 -16.007 2.431 -2.477 120 HG12 ILE 17 HG12 ILE 17 -18.310 1.536 -2.562 121 HG13 ILE 17 HG11 ILE 17 -17.417 1.065 -4.010 122 HG21 ILE 17 HG21 ILE 17 -14.971 0.689 -3.894 123 HG22 ILE 17 HG22 ILE 17 -15.117 -0.455 -2.561 124 HG23 ILE 17 HG23 ILE 17 -14.082 0.967 -2.393 125 HD11 ILE 17 HD11 ILE 17 -17.064 -1.166 -3.044 126 HD12 ILE 17 HD12 ILE 17 -18.772 -0.768 -3.183 127 HD13 ILE 17 HD13 ILE 17 -17.973 -0.681 -1.614 128 H ARG 18 HN ARG 18 -14.717 -0.224 0.626 129 HA ARG 18 HA ARG 18 -12.974 2.001 1.431 130 HB2 ARG 18 HB2 ARG 18 -13.948 1.115 3.343 131 HB3 ARG 18 HB1 ARG 18 -13.939 -0.517 2.710 132 HG2 ARG 18 HG2 ARG 18 -11.305 -0.146 2.947 133 HG3 ARG 18 HG1 ARG 18 -11.867 0.971 4.190 134 HD2 ARG 18 HD2 ARG 18 -12.952 -0.663 5.410 135 HD3 ARG 18 HD1 ARG 18 -13.096 -1.740 4.033 136 HE ARG 18 HE ARG 18 -11.160 -1.872 5.984 137 HH11 ARG 18 HH11 ARG 18 -11.072 -1.702 2.465 138 HH12 ARG 18 HH12 ARG 18 -9.834 -2.900 2.342 139 HH21 ARG 18 HH21 ARG 18 -9.711 -3.585 5.759 140 HH22 ARG 18 HH22 ARG 18 -9.015 -3.932 4.200 141 H HIS 19 HN HIS 19 -11.296 2.015 0.021 142 HA HIS 19 HA HIS 19 -10.148 -0.442 -1.001 143 HB2 HIS 19 HB2 HIS 19 -10.248 1.449 -2.519 144 HB3 HIS 19 HB1 HIS 19 -9.389 2.463 -1.371 145 HD1 HIS 19 HD1 HIS 19 -8.807 -0.427 -3.755 146 HD2 HIS 19 HD2 HIS 19 -6.626 2.343 -1.544 147 HE1 HIS 19 HE1 HIS 19 -6.432 -0.682 -4.511 148 H ASP 20 HN ASP 20 -8.506 -1.553 -0.204 149 HA ASP 20 HA ASP 20 -7.318 -0.745 2.248 150 HB2 ASP 20 HB2 ASP 20 -6.512 -2.946 0.309 151 HB3 ASP 20 HB1 ASP 20 -5.819 -2.709 1.910 152 H ASP 21 HN ASP 21 -6.066 0.995 2.228 153 HA ASP 21 HA ASP 21 -4.523 1.903 0.047 154 HB2 ASP 21 HB2 ASP 21 -5.202 3.431 1.732 155 HB3 ASP 21 HB1 ASP 21 -4.426 2.495 2.998 156 H ASP 22 HN ASP 22 -3.816 -0.027 2.849 157 HA ASP 22 HA ASP 22 -1.316 -0.892 1.571 158 HB2 ASP 22 HB2 ASP 22 -2.150 -0.838 4.481 159 HB3 ASP 22 HB1 ASP 22 -0.867 -1.904 3.919 160 HA PRO 23 HA PRO 23 -4.434 -4.006 0.480 161 HB2 PRO 23 HB2 PRO 23 -1.963 -5.120 -0.776 162 HB3 PRO 23 HB1 PRO 23 -3.589 -4.944 -1.450 163 HG2 PRO 23 HG2 PRO 23 -1.654 -3.259 -2.142 164 HG3 PRO 23 HG1 PRO 23 -3.314 -2.686 -1.881 165 HD2 PRO 23 HD2 PRO 23 -0.908 -2.388 -0.140 166 HD3 PRO 23 HD1 PRO 23 -2.276 -1.283 -0.383 167 H THR 24 HN THR 24 -5.009 -5.407 1.947 168 HA THR 24 HA THR 24 -3.228 -6.719 3.703 169 HB THR 24 HB THR 24 -5.329 -8.028 4.307 170 HG1 THR 24 HG1 THR 24 -6.916 -6.182 3.020 171 HG21 THR 24 HG21 THR 24 -4.640 -6.038 5.539 172 HG22 THR 24 HG22 THR 24 -6.394 -6.080 5.375 173 HG23 THR 24 HG23 THR 24 -5.437 -5.012 4.350 174 H GLY 25 HN GLY 25 -4.930 -7.643 0.777 175 HA2 GLY 25 HA2 GLY 25 -4.062 -9.119 -0.828 176 HA3 GLY 25 HA1 GLY 25 -2.971 -9.764 0.384 177 H ASP 26 HN ASP 26 -5.425 -10.009 2.209 178 HA ASP 26 HA ASP 26 -6.019 -12.715 1.362 179 HB2 ASP 26 HB2 ASP 26 -6.520 -11.169 3.877 180 HB3 ASP 26 HB1 ASP 26 -7.365 -12.681 3.570 181 H TYR 27 HN TYR 27 -7.749 -13.336 0.342 182 HA TYR 27 HA TYR 27 -10.296 -12.085 0.808 183 HB2 TYR 27 HB2 TYR 27 -10.757 -11.715 -1.607 184 HB3 TYR 27 HB1 TYR 27 -9.503 -10.657 -0.977 185 HD1 TYR 27 HD1 TYR 27 -10.172 -13.579 -3.115 186 HD2 TYR 27 HD2 TYR 27 -7.265 -10.750 -1.854 187 HE1 TYR 27 HE1 TYR 27 -8.711 -14.275 -4.953 188 HE2 TYR 27 HE2 TYR 27 -5.789 -11.446 -3.693 189 HH TYR 27 HH TYR 27 -5.446 -13.394 -5.133 190 H SER 28 HN SER 28 -12.056 -13.436 0.170 191 HA SER 28 HA SER 28 -11.448 -16.209 0.126 192 HB2 SER 28 HB2 SER 28 -14.068 -14.805 -0.503 193 HB3 SER 28 HB1 SER 28 -13.883 -16.529 -0.188 194 HG SER 28 HG SER 28 -13.387 -14.384 1.605 195 H SER 29 HN SER 29 -12.463 -13.858 -2.256 196 HA SER 29 HA SER 29 -11.183 -15.193 -4.405 197 HB2 SER 29 HB2 SER 29 -13.221 -16.597 -4.256 198 HB3 SER 29 HB1 SER 29 -14.214 -15.151 -4.414 199 HG SER 29 HG SER 29 -13.225 -16.648 -6.336 200 H LYS 30 HN LYS 30 -10.905 -13.775 -6.114 201 HA LYS 30 HA LYS 30 -11.251 -11.017 -5.518 202 HB2 LYS 30 HB2 LYS 30 -9.383 -11.890 -6.868 203 HB3 LYS 30 HB1 LYS 30 -10.524 -12.289 -8.146 204 HG2 LYS 30 HG2 LYS 30 -11.028 -10.002 -8.531 205 HG3 LYS 30 HG1 LYS 30 -10.158 -9.503 -7.081 206 HD2 LYS 30 HD2 LYS 30 -8.860 -9.051 -9.074 207 HD3 LYS 30 HD1 LYS 30 -8.064 -10.260 -8.064 208 HE2 LYS 30 HE2 LYS 30 -7.865 -11.040 -10.295 209 HE3 LYS 30 HE1 LYS 30 -9.136 -12.008 -9.556 210 HZ1 LYS 30 HZ1 LYS 30 -9.513 -9.684 -11.360 211 HZ2 LYS 30 HZ2 LYS 30 -10.769 -10.525 -10.611 212 HZ3 LYS 30 HZ3 LYS 30 -9.792 -11.303 -11.747 213 H GLU 31 HN GLU 31 -12.924 -13.236 -7.718 214 HA GLU 31 HA GLU 31 -14.590 -11.228 -8.792 215 HB2 GLU 31 HB2 GLU 31 -16.002 -12.977 -9.595 216 HB3 GLU 31 HB1 GLU 31 -14.318 -13.379 -9.922 217 HG2 GLU 31 HG2 GLU 31 -14.345 -14.899 -7.996 218 HG3 GLU 31 HG1 GLU 31 -16.029 -14.459 -7.701 219 H ALA 32 HN ALA 32 -14.812 -13.292 -5.974 220 HA ALA 32 HA ALA 32 -17.521 -12.839 -5.393 221 HB1 ALA 32 HB1 ALA 32 -16.999 -13.534 -3.134 222 HB2 ALA 32 HB2 ALA 32 -15.277 -13.365 -3.469 223 HB3 ALA 32 HB3 ALA 32 -16.228 -14.597 -4.313 224 H ALA 33 HN ALA 33 -14.615 -11.026 -4.636 225 HA ALA 33 HA ALA 33 -15.822 -9.239 -2.810 226 HB1 ALA 33 HB1 ALA 33 -13.381 -8.829 -4.545 227 HB2 ALA 33 HB2 ALA 33 -13.394 -9.557 -2.936 228 HB3 ALA 33 HB3 ALA 33 -13.830 -7.859 -3.142 229 H PHE 34 HN PHE 34 -15.013 -8.903 -6.277 230 HA PHE 34 HA PHE 34 -16.314 -6.418 -6.581 231 HB2 PHE 34 HB2 PHE 34 -15.627 -8.558 -8.589 232 HB3 PHE 34 HB1 PHE 34 -16.322 -6.999 -9.037 233 HD1 PHE 34 HD1 PHE 34 -13.374 -8.751 -7.890 234 HD2 PHE 34 HD2 PHE 34 -15.080 -4.949 -8.735 235 HE1 PHE 34 HE1 PHE 34 -11.130 -7.776 -7.877 236 HE2 PHE 34 HE2 PHE 34 -12.801 -3.951 -8.737 237 HZ PHE 34 HZ PHE 34 -10.828 -5.397 -8.284 238 H GLU 35 HN GLU 35 -17.405 -9.707 -6.985 239 HA GLU 35 HA GLU 35 -19.867 -9.350 -8.183 240 HB2 GLU 35 HB2 GLU 35 -18.720 -11.511 -7.794 241 HB3 GLU 35 HB1 GLU 35 -19.079 -11.368 -6.086 242 HG2 GLU 35 HG2 GLU 35 -21.465 -11.425 -6.598 243 HG3 GLU 35 HG1 GLU 35 -21.072 -11.648 -8.304 244 H ALA 36 HN ALA 36 -19.091 -9.689 -4.751 245 HA ALA 36 HA ALA 36 -21.720 -9.077 -3.872 246 HB1 ALA 36 HB1 ALA 36 -19.151 -8.903 -2.316 247 HB2 ALA 36 HB2 ALA 36 -20.160 -10.342 -2.493 248 HB3 ALA 36 HB3 ALA 36 -20.781 -8.926 -1.648 249 H ALA 37 HN ALA 37 -18.810 -7.140 -4.303 250 HA ALA 37 HA ALA 37 -19.670 -4.797 -3.061 251 HB1 ALA 37 HB1 ALA 37 -17.914 -3.687 -4.320 252 HB2 ALA 37 HB2 ALA 37 -17.830 -5.057 -5.434 253 HB3 ALA 37 HB3 ALA 37 -17.353 -5.264 -3.754 254 H CYS 38 HN CYS 38 -19.806 -5.663 -6.518 255 HA CYS 38 HA CYS 38 -21.264 -3.360 -7.190 256 HB2 CYS 38 HB2 CYS 38 -21.647 -4.387 -9.364 257 HB3 CYS 38 HB1 CYS 38 -19.963 -4.471 -8.859 258 HG CYS 38 HG CYS 38 -19.967 -7.155 -8.270 259 H ALA 39 HN ALA 39 -22.227 -6.647 -6.278 260 HA ALA 39 HA ALA 39 -24.945 -6.506 -6.931 261 HB1 ALA 39 HB1 ALA 39 -23.661 -8.014 -4.655 262 HB2 ALA 39 HB2 ALA 39 -23.845 -8.600 -6.313 263 HB3 ALA 39 HB3 ALA 39 -25.272 -8.310 -5.317 264 H ALA 40 HN ALA 40 -23.229 -5.704 -3.970 265 HA ALA 40 HA ALA 40 -25.462 -4.714 -2.548 266 HB1 ALA 40 HB1 ALA 40 -22.550 -3.959 -2.262 267 HB2 ALA 40 HB2 ALA 40 -23.347 -5.316 -1.459 268 HB3 ALA 40 HB3 ALA 40 -23.820 -3.662 -1.075 269 H ALA 41 HN ALA 41 -23.223 -3.240 -4.817 270 HA ALA 41 HA ALA 41 -23.872 -0.540 -4.383 271 HB1 ALA 41 HB1 ALA 41 -22.926 -1.800 -6.954 272 HB2 ALA 41 HB2 ALA 41 -21.880 -1.308 -5.620 273 HB3 ALA 41 HB3 ALA 41 -22.808 -0.097 -6.506 274 H SER 42 HN SER 42 -25.298 -2.900 -6.639 275 HA SER 42 HA SER 42 -26.895 -1.005 -7.906 276 HB2 SER 42 HB2 SER 42 -28.348 -2.954 -8.549 277 HB3 SER 42 HB1 SER 42 -26.641 -3.100 -8.988 278 HG SER 42 HG SER 42 -26.677 -4.889 -7.907 279 H ASN 43 HN ASN 43 -27.542 -3.124 -5.143 280 HA ASN 43 HA ASN 43 -30.193 -2.294 -4.656 281 HB2 ASN 43 HB2 ASN 43 -29.206 -4.316 -3.635 282 HB3 ASN 43 HB1 ASN 43 -28.124 -3.308 -2.684 283 HD21 ASN 43 HD21 ASN 43 -28.869 -4.030 -0.731 284 HD22 ASN 43 HD22 ASN 43 -30.441 -3.663 -0.113 285 H ALA 44 HN ALA 44 -27.072 -1.114 -3.549 286 HA ALA 44 HA ALA 44 -27.948 0.709 -1.653 287 HB1 ALA 44 HB1 ALA 44 -25.504 0.875 -3.396 288 HB2 ALA 44 HB2 ALA 44 -25.633 -0.001 -1.872 289 HB3 ALA 44 HB3 ALA 44 -25.771 1.754 -1.893 290 H ILE 45 HN ILE 45 -27.144 1.284 -5.080 291 HA ILE 45 HA ILE 45 -27.905 4.009 -4.885 292 HB ILE 45 HB ILE 45 -26.279 3.113 -6.595 293 HG12 ILE 45 HG12 ILE 45 -27.489 5.377 -6.780 294 HG13 ILE 45 HG11 ILE 45 -26.728 4.755 -8.232 295 HG21 ILE 45 HG21 ILE 45 -27.441 1.141 -7.315 296 HG22 ILE 45 HG22 ILE 45 -27.133 2.188 -8.699 297 HG23 ILE 45 HG23 ILE 45 -28.745 2.116 -7.989 298 HD11 ILE 45 HD11 ILE 45 -29.669 4.633 -7.585 299 HD12 ILE 45 HD12 ILE 45 -28.916 4.021 -9.055 300 HD13 ILE 45 HD13 ILE 45 -28.897 5.752 -8.708 301 H LYS 46 HN LYS 46 -29.579 1.089 -5.945 302 HA LYS 46 HA LYS 46 -31.829 2.369 -7.021 303 HB2 LYS 46 HB2 LYS 46 -31.485 -0.396 -5.901 304 HB3 LYS 46 HB1 LYS 46 -33.005 0.163 -6.581 305 HG2 LYS 46 HG2 LYS 46 -31.960 0.534 -8.722 306 HG3 LYS 46 HG1 LYS 46 -30.383 0.105 -8.055 307 HD2 LYS 46 HD2 LYS 46 -31.253 -1.789 -9.266 308 HD3 LYS 46 HD1 LYS 46 -31.267 -2.158 -7.543 309 HE2 LYS 46 HE2 LYS 46 -33.652 -1.646 -7.438 310 HE3 LYS 46 HE1 LYS 46 -33.641 -1.222 -9.150 311 HZ1 LYS 46 HZ1 LYS 46 -33.022 -3.906 -8.041 312 HZ2 LYS 46 HZ2 LYS 46 -33.033 -3.497 -9.676 313 HZ3 LYS 46 HZ3 LYS 46 -34.471 -3.464 -8.788 314 H PHE 47 HN PHE 47 -31.146 1.293 -3.718 315 HA PHE 47 HA PHE 47 -33.815 2.024 -2.866 316 HB2 PHE 47 HB2 PHE 47 -32.540 -0.003 -2.018 317 HB3 PHE 47 HB1 PHE 47 -31.562 1.125 -1.086 318 HD1 PHE 47 HD1 PHE 47 -34.933 -0.286 -1.513 319 HD2 PHE 47 HD2 PHE 47 -32.430 2.139 0.931 320 HE1 PHE 47 HE1 PHE 47 -36.615 -0.352 0.284 321 HE2 PHE 47 HE2 PHE 47 -34.098 2.074 2.720 322 HZ PHE 47 HZ PHE 47 -36.191 0.824 2.406 323 H GLY 48 HN GLY 48 -31.032 3.742 -3.364 324 HA2 GLY 48 HA2 GLY 48 -30.642 5.997 -2.874 325 HA3 GLY 48 HA1 GLY 48 -32.060 5.985 -1.836 326 H HIS 49 HN HIS 49 -29.473 3.703 -1.575 327 HA HIS 49 HA HIS 49 -29.052 4.221 1.169 328 HB2 HIS 49 HB2 HIS 49 -27.427 2.760 -0.895 329 HB3 HIS 49 HB1 HIS 49 -26.949 2.827 0.801 330 HD2 HIS 49 HD2 HIS 49 -30.673 2.280 0.413 331 HE1 HIS 49 HE1 HIS 49 -28.932 -1.573 0.749 332 HE2 HIS 49 HE2 HIS 49 -31.037 -0.226 0.966 333 H GLU 50 HN GLU 50 -27.465 5.434 2.183 334 HA GLU 50 HA GLU 50 -26.316 7.593 0.801 335 HB2 GLU 50 HB2 GLU 50 -26.700 7.669 3.171 336 HB3 GLU 50 HB1 GLU 50 -25.593 6.326 3.445 337 HG2 GLU 50 HG2 GLU 50 -23.726 7.713 2.665 338 HG3 GLU 50 HG1 GLU 50 -24.838 9.052 2.386 339 H VAL 51 HN VAL 51 -24.678 7.565 -0.575 340 HA VAL 51 HA VAL 51 -23.056 5.150 -0.697 341 HB VAL 51 HB VAL 51 -22.362 5.988 -2.960 342 HG11 VAL 51 HG11 VAL 51 -24.160 4.362 -2.723 343 HG12 VAL 51 HG12 VAL 51 -24.493 5.472 -4.052 344 HG13 VAL 51 HG13 VAL 51 -25.326 5.668 -2.510 345 HG21 VAL 51 HG21 VAL 51 -22.760 8.377 -2.605 346 HG22 VAL 51 HG22 VAL 51 -24.491 8.071 -2.463 347 HG23 VAL 51 HG23 VAL 51 -23.669 7.785 -3.995 348 H ARG 52 HN ARG 52 -21.050 5.090 -0.100 349 HA ARG 52 HA ARG 52 -19.534 7.598 0.008 350 HB2 ARG 52 HB2 ARG 52 -19.551 5.382 2.059 351 HB3 ARG 52 HB1 ARG 52 -18.368 6.683 2.030 352 HG2 ARG 52 HG2 ARG 52 -21.342 7.057 2.322 353 HG3 ARG 52 HG1 ARG 52 -20.178 7.073 3.651 354 HD2 ARG 52 HD2 ARG 52 -19.024 8.969 2.596 355 HD3 ARG 52 HD1 ARG 52 -20.209 8.957 1.294 356 HE ARG 52 HE ARG 52 -20.753 9.665 4.092 357 HH11 ARG 52 HH11 ARG 52 -21.663 9.720 0.690 358 HH12 ARG 52 HH12 ARG 52 -22.930 10.871 0.923 359 HH21 ARG 52 HH21 ARG 52 -22.421 11.189 4.391 360 HH22 ARG 52 HH22 ARG 52 -23.346 11.733 3.031 361 H ILE 53 HN ILE 53 -17.535 7.532 -0.815 362 HA ILE 53 HA ILE 53 -16.491 4.927 -1.660 363 HB ILE 53 HB ILE 53 -16.377 7.515 -3.236 364 HG12 ILE 53 HG12 ILE 53 -18.624 6.516 -3.341 365 HG13 ILE 53 HG11 ILE 53 -17.810 6.400 -4.897 366 HG21 ILE 53 HG21 ILE 53 -14.370 6.173 -3.526 367 HG22 ILE 53 HG22 ILE 53 -15.334 6.170 -5.004 368 HG23 ILE 53 HG23 ILE 53 -15.356 4.767 -3.935 369 HD11 ILE 53 HD11 ILE 53 -18.115 4.172 -2.884 370 HD12 ILE 53 HD12 ILE 53 -17.295 4.045 -4.442 371 HD13 ILE 53 HD13 ILE 53 -19.031 4.360 -4.380 372 H THR 54 HN THR 54 -14.633 4.623 -0.625 373 HA THR 54 HA THR 54 -13.023 7.000 -0.103 374 HB THR 54 HB THR 54 -12.210 5.826 1.971 375 HG1 THR 54 HG1 THR 54 -13.720 3.852 1.028 376 HG21 THR 54 HG21 THR 54 -15.133 6.570 1.856 377 HG22 THR 54 HG22 THR 54 -13.783 7.682 2.098 378 HG23 THR 54 HG23 THR 54 -14.159 6.471 3.325 379 H VAL 55 HN VAL 55 -11.612 6.815 -1.694 380 HA VAL 55 HA VAL 55 -9.892 4.444 -1.658 381 HB VAL 55 HB VAL 55 -11.128 4.366 -3.725 382 HG11 VAL 55 HG11 VAL 55 -10.170 7.169 -4.277 383 HG12 VAL 55 HG12 VAL 55 -11.823 6.682 -3.894 384 HG13 VAL 55 HG13 VAL 55 -11.073 6.151 -5.399 385 HG21 VAL 55 HG21 VAL 55 -8.316 5.328 -4.229 386 HG22 VAL 55 HG22 VAL 55 -9.311 4.439 -5.379 387 HG23 VAL 55 HG23 VAL 55 -8.809 3.672 -3.873 388 HA PRO 56 HA PRO 56 -7.162 7.929 -0.473 389 HB2 PRO 56 HB2 PRO 56 -5.637 5.750 0.783 390 HB3 PRO 56 HB1 PRO 56 -6.302 7.212 1.517 391 HG2 PRO 56 HG2 PRO 56 -7.332 4.774 2.008 392 HG3 PRO 56 HG1 PRO 56 -8.344 6.227 1.935 393 HD2 PRO 56 HD2 PRO 56 -7.927 4.103 -0.136 394 HD3 PRO 56 HD1 PRO 56 -9.428 4.920 0.356 395 H GLY 57 HN GLY 57 -5.248 8.539 -1.373 396 HA2 GLY 57 HA2 GLY 57 -4.070 6.688 -3.320 397 HA3 GLY 57 HA1 GLY 57 -3.884 8.437 -3.322 398 H ASN 58 HN ASN 58 -1.613 7.184 -3.662 399 HA ASN 58 HA ASN 58 -0.356 6.667 -1.089 400 HB2 ASN 58 HB2 ASN 58 1.602 5.948 -2.360 401 HB3 ASN 58 HB1 ASN 58 0.160 5.148 -2.965 402 HD21 ASN 58 HD21 ASN 58 2.746 5.648 -4.230 403 HD22 ASN 58 HD22 ASN 58 2.415 6.504 -5.692 404 H ASP 59 HN ASP 59 -1.282 9.324 -2.071 405 HA ASP 59 HA ASP 59 1.133 10.920 -2.305 406 HB2 ASP 59 HB2 ASP 59 -0.402 12.808 -2.542 407 HB3 ASP 59 HB1 ASP 59 -0.920 11.490 -3.587 408 H GLY 60 HN GLY 60 0.451 9.338 0.151 409 HA2 GLY 60 HA2 GLY 60 0.007 11.487 2.112 410 HA3 GLY 60 HA1 GLY 60 -0.238 9.773 2.413 411 H SER 61 HN SER 61 1.939 8.539 1.758 412 HA SER 61 HA SER 61 3.861 9.425 3.677 413 HB2 SER 61 HB2 SER 61 4.159 7.227 1.622 414 HB3 SER 61 HB1 SER 61 5.024 7.388 3.152 415 HG SER 61 HG SER 61 2.308 6.715 2.708 416 H GLU 62 HN GLU 62 5.537 10.744 3.314 417 HA GLU 62 HA GLU 62 5.957 11.798 0.676 418 HB2 GLU 62 HB2 GLU 62 7.371 12.311 3.294 419 HB3 GLU 62 HB1 GLU 62 7.701 13.178 1.802 420 HG2 GLU 62 HG2 GLU 62 5.479 14.083 1.771 421 HG3 GLU 62 HG1 GLU 62 5.029 13.124 3.178 422 H THR 63 HN THR 63 6.690 10.028 -0.492 423 HA THR 63 HA THR 63 9.195 8.796 0.319 424 HB THR 63 HB THR 63 7.371 7.438 -0.748 425 HG1 THR 63 HG1 THR 63 9.249 6.413 -0.926 426 HG21 THR 63 HG21 THR 63 8.172 8.938 -3.252 427 HG22 THR 63 HG22 THR 63 6.628 9.082 -2.415 428 HG23 THR 63 HG23 THR 63 7.076 7.558 -3.181 429 H ASN 64 HN ASN 64 11.051 8.713 -1.173 430 HA ASN 64 HA ASN 64 11.681 11.324 -2.179 431 HB2 ASN 64 HB2 ASN 64 13.198 8.707 -2.255 432 HB3 ASN 64 HB1 ASN 64 13.822 10.197 -2.945 433 HD21 ASN 64 HD21 ASN 64 12.631 11.817 -0.767 434 HD22 ASN 64 HD22 ASN 64 13.660 11.554 0.593 435 H LEU 65 HN LEU 65 11.879 11.990 -4.270 436 HA LEU 65 HA LEU 65 10.187 10.726 -6.159 437 HB2 LEU 65 HB2 LEU 65 12.060 13.069 -6.288 438 HB3 LEU 65 HB1 LEU 65 11.287 12.463 -7.735 439 HG LEU 65 HG LEU 65 9.077 12.927 -6.752 440 HD11 LEU 65 HD11 LEU 65 10.642 14.116 -4.464 441 HD12 LEU 65 HD12 LEU 65 9.603 12.690 -4.393 442 HD13 LEU 65 HD13 LEU 65 8.903 14.279 -4.712 443 HD21 LEU 65 HD21 LEU 65 9.206 15.362 -6.874 444 HD22 LEU 65 HD22 LEU 65 10.165 14.597 -8.144 445 HD23 LEU 65 HD23 LEU 65 10.962 15.279 -6.725 446 H GLY 66 HN GLY 66 10.630 9.472 -7.892 447 HA2 GLY 66 HA2 GLY 66 12.638 8.957 -9.450 448 HA3 GLY 66 HA1 GLY 66 13.344 8.358 -7.956 449 H VAL 67 HN VAL 67 10.210 7.733 -7.546 450 HA VAL 67 HA VAL 67 10.578 4.977 -8.279 451 HB VAL 67 HB VAL 67 8.265 4.681 -7.230 452 HG11 VAL 67 HG11 VAL 67 10.320 4.166 -6.028 453 HG12 VAL 67 HG12 VAL 67 9.126 4.883 -4.944 454 HG13 VAL 67 HG13 VAL 67 10.473 5.856 -5.540 455 HG21 VAL 67 HG21 VAL 67 7.505 7.014 -7.474 456 HG22 VAL 67 HG22 VAL 67 8.756 7.534 -6.342 457 HG23 VAL 67 HG23 VAL 67 7.452 6.484 -5.792 458 H ILE 68 HN ILE 68 10.368 4.567 -10.344 459 HA ILE 68 HA ILE 68 8.199 5.782 -11.876 460 HB ILE 68 HB ILE 68 9.283 4.770 -13.852 461 HG12 ILE 68 HG12 ILE 68 11.435 3.878 -11.910 462 HG13 ILE 68 HG11 ILE 68 10.251 2.802 -12.642 463 HG21 ILE 68 HG21 ILE 68 11.168 6.359 -12.113 464 HG22 ILE 68 HG22 ILE 68 9.882 7.026 -13.118 465 HG23 ILE 68 HG23 ILE 68 11.250 6.206 -13.868 466 HD11 ILE 68 HD11 ILE 68 11.147 3.342 -14.854 467 HD12 ILE 68 HD12 ILE 68 12.387 2.669 -13.789 468 HD13 ILE 68 HD13 ILE 68 12.342 4.403 -14.105 469 H THR 69 HN THR 69 8.719 3.034 -10.079 470 HA THR 69 HA THR 69 7.057 1.349 -11.781 471 HB THR 69 HB THR 69 8.540 0.641 -9.236 472 HG1 THR 69 HG1 THR 69 9.211 0.397 -11.997 473 HG21 THR 69 HG21 THR 69 7.252 -1.097 -11.348 474 HG22 THR 69 HG22 THR 69 6.645 -0.853 -9.709 475 HG23 THR 69 HG23 THR 69 8.183 -1.681 -9.969 476 H ASN 70 HN ASN 70 4.944 1.455 -11.466 477 HA ASN 70 HA ASN 70 3.857 1.228 -8.805 478 HB2 ASN 70 HB2 ASN 70 2.385 3.153 -8.934 479 HB3 ASN 70 HB1 ASN 70 4.042 3.698 -9.137 480 HD21 ASN 70 HD21 ASN 70 0.935 3.377 -10.587 481 HD22 ASN 70 HD22 ASN 70 1.280 4.259 -12.032 Start of MODEL 3 1 H MET 1 HT1 MET 1 -0.695 -8.228 -15.534 2 HA MET 1 HA MET 1 -1.517 -6.138 -14.759 3 HB2 MET 1 HB2 MET 1 -4.101 -7.674 -14.408 4 HB3 MET 1 HB1 MET 1 -3.791 -6.098 -13.690 5 HG2 MET 1 HG2 MET 1 -3.505 -5.146 -15.937 6 HG3 MET 1 HG1 MET 1 -3.865 -6.725 -16.640 7 HE1 MET 1 HE1 MET 1 -6.193 -7.806 -16.762 8 HE2 MET 1 HE2 MET 1 -7.612 -7.235 -15.884 9 HE3 MET 1 HE3 MET 1 -6.235 -7.894 -15.001 10 H GLY 2 HN GLY 2 -1.895 -5.699 -12.378 11 HA2 GLY 2 HA2 GLY 2 -0.382 -7.720 -10.941 12 HA3 GLY 2 HA1 GLY 2 -0.697 -6.079 -10.409 13 H LYS 3 HN LYS 3 -2.402 -5.681 -9.087 14 HA LYS 3 HA LYS 3 -4.447 -7.601 -8.481 15 HB2 LYS 3 HB2 LYS 3 -2.427 -8.615 -7.426 16 HB3 LYS 3 HB1 LYS 3 -2.225 -7.150 -6.475 17 HG2 LYS 3 HG2 LYS 3 -4.459 -7.592 -5.459 18 HG3 LYS 3 HG1 LYS 3 -4.477 -9.140 -6.302 19 HD2 LYS 3 HD2 LYS 3 -2.376 -8.244 -4.327 20 HD3 LYS 3 HD1 LYS 3 -3.690 -9.369 -3.986 21 HE2 LYS 3 HE2 LYS 3 -2.816 -10.950 -5.597 22 HE3 LYS 3 HE1 LYS 3 -1.560 -9.811 -6.070 23 HZ1 LYS 3 HZ1 LYS 3 -0.690 -11.454 -4.577 24 HZ2 LYS 3 HZ2 LYS 3 -1.848 -11.095 -3.410 25 HZ3 LYS 3 HZ3 LYS 3 -0.670 -9.947 -3.804 26 H ALA 4 HN ALA 4 -6.069 -6.627 -7.245 27 HA ALA 4 HA ALA 4 -5.558 -4.114 -5.885 28 HB1 ALA 4 HB1 ALA 4 -7.519 -4.296 -8.171 29 HB2 ALA 4 HB2 ALA 4 -5.994 -3.410 -8.189 30 HB3 ALA 4 HB3 ALA 4 -7.298 -2.902 -7.114 31 H TYR 5 HN TYR 5 -6.423 -4.561 -3.943 32 HA TYR 5 HA TYR 5 -9.091 -5.790 -3.920 33 HB2 TYR 5 HB2 TYR 5 -7.521 -7.362 -2.959 34 HB3 TYR 5 HB1 TYR 5 -6.885 -6.128 -1.870 35 HD1 TYR 5 HD1 TYR 5 -10.065 -7.916 -2.710 36 HD2 TYR 5 HD2 TYR 5 -7.758 -5.972 0.293 37 HE1 TYR 5 HE1 TYR 5 -11.726 -8.569 -1.017 38 HE2 TYR 5 HE2 TYR 5 -9.411 -6.622 1.994 39 HH TYR 5 HH TYR 5 -11.743 -7.252 2.150 40 H TYR 6 HN TYR 6 -10.665 -4.645 -3.134 41 HA TYR 6 HA TYR 6 -10.003 -2.525 -1.241 42 HB2 TYR 6 HB2 TYR 6 -12.005 -1.281 -2.088 43 HB3 TYR 6 HB1 TYR 6 -10.734 -1.460 -3.288 44 HD1 TYR 6 HD1 TYR 6 -11.090 -2.771 -5.279 45 HD2 TYR 6 HD2 TYR 6 -14.118 -2.484 -2.310 46 HE1 TYR 6 HE1 TYR 6 -12.727 -3.672 -6.870 47 HE2 TYR 6 HE2 TYR 6 -15.758 -3.393 -3.894 48 HH TYR 6 HH TYR 6 -16.097 -3.627 -6.259 49 H ASP 7 HN ASP 7 -11.148 -2.403 0.579 50 HA ASP 7 HA ASP 7 -12.698 -4.767 1.249 51 HB2 ASP 7 HB2 ASP 7 -10.913 -4.259 2.766 52 HB3 ASP 7 HB1 ASP 7 -11.420 -2.576 2.884 53 H ILE 8 HN ILE 8 -14.813 -4.697 1.080 54 HA ILE 8 HA ILE 8 -16.155 -2.122 1.024 55 HB ILE 8 HB ILE 8 -18.161 -3.378 0.241 56 HG12 ILE 8 HG12 ILE 8 -17.268 -5.629 1.179 57 HG13 ILE 8 HG11 ILE 8 -18.143 -5.639 -0.346 58 HG21 ILE 8 HG21 ILE 8 -15.682 -3.593 -1.439 59 HG22 ILE 8 HG22 ILE 8 -16.777 -2.216 -1.322 60 HG23 ILE 8 HG23 ILE 8 -17.335 -3.729 -2.037 61 HD11 ILE 8 HD11 ILE 8 -15.942 -5.705 -1.530 62 HD12 ILE 8 HD12 ILE 8 -16.267 -7.110 -0.521 63 HD13 ILE 8 HD13 ILE 8 -15.159 -5.869 0.042 64 H VAL 9 HN VAL 9 -17.821 -1.551 2.289 65 HA VAL 9 HA VAL 9 -18.199 -3.154 4.725 66 HB VAL 9 HB VAL 9 -18.739 -0.201 4.268 67 HG11 VAL 9 HG11 VAL 9 -18.980 -0.097 6.719 68 HG12 VAL 9 HG12 VAL 9 -18.820 -1.852 6.789 69 HG13 VAL 9 HG13 VAL 9 -20.194 -1.123 5.959 70 HG21 VAL 9 HG21 VAL 9 -16.770 0.203 5.686 71 HG22 VAL 9 HG22 VAL 9 -16.346 -0.661 4.209 72 HG23 VAL 9 HG23 VAL 9 -16.461 -1.532 5.737 73 H GLY 10 HN GLY 10 -20.234 -3.898 5.165 74 HA2 GLY 10 HA2 GLY 10 -22.248 -3.243 3.118 75 HA3 GLY 10 HA1 GLY 10 -22.119 -4.796 3.925 76 H SER 11 HN SER 11 -23.748 -1.949 3.791 77 HA SER 11 HA SER 11 -25.346 -2.657 6.071 78 HB2 SER 11 HB2 SER 11 -24.040 0.084 5.880 79 HB3 SER 11 HB1 SER 11 -25.279 -0.367 7.050 80 HG SER 11 HG SER 11 -23.129 -2.075 6.984 81 H ASP 12 HN ASP 12 -27.456 -2.335 5.555 82 HA ASP 12 HA ASP 12 -28.140 -1.475 2.926 83 HB2 ASP 12 HB2 ASP 12 -30.381 -2.075 3.495 84 HB3 ASP 12 HB1 ASP 12 -29.313 -3.274 4.224 85 H ASN 13 HN ASN 13 -27.689 0.329 5.741 86 HA ASN 13 HA ASN 13 -29.402 2.421 4.579 87 HB2 ASN 13 HB2 ASN 13 -29.720 1.879 6.982 88 HB3 ASN 13 HB1 ASN 13 -28.049 2.364 7.277 89 HD21 ASN 13 HD21 ASN 13 -28.584 4.031 8.662 90 HD22 ASN 13 HD22 ASN 13 -29.335 5.488 8.124 91 H ARG 14 HN ARG 14 -26.141 1.523 5.322 92 HA ARG 14 HA ARG 14 -25.118 3.990 4.099 93 HB2 ARG 14 HB2 ARG 14 -23.916 2.703 6.560 94 HB3 ARG 14 HB1 ARG 14 -23.390 4.188 5.782 95 HG2 ARG 14 HG2 ARG 14 -26.031 3.800 7.171 96 HG3 ARG 14 HG1 ARG 14 -24.609 4.567 7.878 97 HD2 ARG 14 HD2 ARG 14 -25.978 5.531 5.376 98 HD3 ARG 14 HD1 ARG 14 -26.324 6.150 6.987 99 HE ARG 14 HE ARG 14 -24.047 6.759 5.332 100 HH11 ARG 14 HH11 ARG 14 -25.095 6.499 8.674 101 HH12 ARG 14 HH12 ARG 14 -24.086 7.788 9.224 102 HH21 ARG 14 HH21 ARG 14 -22.783 8.484 6.029 103 HH22 ARG 14 HH22 ARG 14 -22.745 8.936 7.714 104 H TRP 15 HN TRP 15 -24.373 3.000 2.240 105 HA TRP 15 HA TRP 15 -22.726 0.601 2.622 106 HB2 TRP 15 HB2 TRP 15 -24.695 0.510 1.057 107 HB3 TRP 15 HB1 TRP 15 -23.868 1.690 0.045 108 HD1 TRP 15 HD1 TRP 15 -23.251 -1.864 1.449 109 HE1 TRP 15 HE1 TRP 15 -21.792 -3.157 -0.211 110 HE3 TRP 15 HE3 TRP 15 -22.458 1.851 -1.935 111 HZ2 TRP 15 HZ2 TRP 15 -20.481 -2.666 -2.653 112 HZ3 TRP 15 HZ3 TRP 15 -21.106 1.359 -3.908 113 HH2 TRP 15 HH2 TRP 15 -20.129 -0.851 -4.262 114 H GLY 16 HN GLY 16 -20.629 0.656 2.401 115 HA2 GLY 16 HA2 GLY 16 -19.477 3.091 1.232 116 HA3 GLY 16 HA1 GLY 16 -19.007 2.580 2.840 117 H ILE 17 HN ILE 17 -17.573 2.875 0.217 118 HA ILE 17 HA ILE 17 -16.413 0.153 -0.009 119 HB ILE 17 HB ILE 17 -16.296 2.428 -2.017 120 HG12 ILE 17 HG12 ILE 17 -17.873 -0.089 -2.402 121 HG13 ILE 17 HG11 ILE 17 -18.572 1.240 -1.483 122 HG21 ILE 17 HG21 ILE 17 -15.491 0.697 -3.563 123 HG22 ILE 17 HG22 ILE 17 -15.557 -0.493 -2.265 124 HG23 ILE 17 HG23 ILE 17 -14.419 0.852 -2.169 125 HD11 ILE 17 HD11 ILE 17 -17.591 1.361 -4.321 126 HD12 ILE 17 HD12 ILE 17 -18.264 2.704 -3.385 127 HD13 ILE 17 HD13 ILE 17 -19.263 1.306 -3.761 128 H ARG 18 HN ARG 18 -14.377 0.005 0.831 129 HA ARG 18 HA ARG 18 -12.782 2.481 0.976 130 HB2 ARG 18 HB2 ARG 18 -13.436 1.702 3.210 131 HB3 ARG 18 HB1 ARG 18 -12.742 0.126 2.880 132 HG2 ARG 18 HG2 ARG 18 -10.515 1.212 2.626 133 HG3 ARG 18 HG1 ARG 18 -11.256 2.740 3.103 134 HD2 ARG 18 HD2 ARG 18 -10.175 1.738 5.022 135 HD3 ARG 18 HD1 ARG 18 -11.929 1.694 5.254 136 HE ARG 18 HE ARG 18 -11.899 -0.630 4.984 137 HH11 ARG 18 HH11 ARG 18 -8.615 0.687 4.715 138 HH12 ARG 18 HH12 ARG 18 -7.864 -0.881 4.794 139 HH21 ARG 18 HH21 ARG 18 -10.874 -2.660 5.130 140 HH22 ARG 18 HH22 ARG 18 -9.139 -2.765 5.041 141 H HIS 19 HN HIS 19 -11.083 2.405 -0.405 142 HA HIS 19 HA HIS 19 -9.982 -0.139 -1.214 143 HB2 HIS 19 HB2 HIS 19 -9.835 1.984 -2.638 144 HB3 HIS 19 HB1 HIS 19 -8.628 2.562 -1.486 145 HD1 HIS 19 HD1 HIS 19 -6.274 1.414 -1.548 146 HD2 HIS 19 HD2 HIS 19 -8.973 -0.059 -4.360 147 HE1 HIS 19 HE1 HIS 19 -4.922 -0.021 -3.089 148 H ASP 20 HN ASP 20 -8.544 -1.311 -0.087 149 HA ASP 20 HA ASP 20 -8.077 -0.408 2.559 150 HB2 ASP 20 HB2 ASP 20 -8.247 -2.863 1.695 151 HB3 ASP 20 HB1 ASP 20 -6.516 -2.685 1.397 152 H ASP 21 HN ASP 21 -6.633 0.894 3.270 153 HA ASP 21 HA ASP 21 -4.543 1.752 1.483 154 HB2 ASP 21 HB2 ASP 21 -4.239 3.605 3.093 155 HB3 ASP 21 HB1 ASP 21 -5.892 3.449 2.499 156 H ASP 22 HN ASP 22 -4.839 -0.534 3.870 157 HA ASP 22 HA ASP 22 -1.918 -0.700 3.987 158 HB2 ASP 22 HB2 ASP 22 -2.765 0.164 6.184 159 HB3 ASP 22 HB1 ASP 22 -3.684 -1.326 6.364 160 HA PRO 23 HA PRO 23 -3.157 -4.433 1.870 161 HB2 PRO 23 HB2 PRO 23 -0.353 -5.134 2.612 162 HB3 PRO 23 HB1 PRO 23 -1.174 -5.278 1.055 163 HG2 PRO 23 HG2 PRO 23 0.544 -3.295 1.503 164 HG3 PRO 23 HG1 PRO 23 -0.934 -3.030 0.559 165 HD2 PRO 23 HD2 PRO 23 -0.287 -2.204 3.343 166 HD3 PRO 23 HD1 PRO 23 -1.307 -1.405 2.131 167 H THR 24 HN THR 24 -4.516 -5.618 3.063 168 HA THR 24 HA THR 24 -3.681 -6.827 5.534 169 HB THR 24 HB THR 24 -6.142 -7.791 5.221 170 HG1 THR 24 HG1 THR 24 -6.630 -5.415 3.867 171 HG21 THR 24 HG21 THR 24 -5.528 -4.889 5.836 172 HG22 THR 24 HG22 THR 24 -5.492 -6.228 6.987 173 HG23 THR 24 HG23 THR 24 -7.021 -5.726 6.264 174 H GLY 25 HN GLY 25 -3.875 -7.581 2.214 175 HA2 GLY 25 HA2 GLY 25 -2.911 -9.343 1.090 176 HA3 GLY 25 HA1 GLY 25 -2.511 -10.062 2.639 177 H ASP 26 HN ASP 26 -5.068 -10.354 3.707 178 HA ASP 26 HA ASP 26 -5.795 -12.750 2.334 179 HB2 ASP 26 HB2 ASP 26 -6.544 -11.468 4.891 180 HB3 ASP 26 HB1 ASP 26 -7.645 -12.675 4.220 181 H TYR 27 HN TYR 27 -7.235 -13.061 0.885 182 HA TYR 27 HA TYR 27 -9.798 -11.756 0.958 183 HB2 TYR 27 HB2 TYR 27 -9.738 -11.035 -1.413 184 HB3 TYR 27 HB1 TYR 27 -8.566 -10.166 -0.439 185 HD1 TYR 27 HD1 TYR 27 -9.048 -12.459 -3.231 186 HD2 TYR 27 HD2 TYR 27 -6.149 -10.637 -0.704 187 HE1 TYR 27 HE1 TYR 27 -7.283 -13.044 -4.842 188 HE2 TYR 27 HE2 TYR 27 -4.382 -11.216 -2.305 189 HH TYR 27 HH TYR 27 -5.036 -12.299 -5.460 190 H SER 28 HN SER 28 -11.393 -13.081 0.157 191 HA SER 28 HA SER 28 -10.724 -15.811 -0.188 192 HB2 SER 28 HB2 SER 28 -13.195 -15.981 -0.788 193 HB3 SER 28 HB1 SER 28 -12.819 -15.329 0.809 194 HG SER 28 HG SER 28 -14.403 -14.094 -0.354 195 H SER 29 HN SER 29 -11.713 -13.254 -2.419 196 HA SER 29 HA SER 29 -10.350 -14.418 -4.600 197 HB2 SER 29 HB2 SER 29 -12.240 -15.970 -4.595 198 HB3 SER 29 HB1 SER 29 -13.373 -14.627 -4.625 199 HG SER 29 HG SER 29 -12.404 -15.850 -6.675 200 H LYS 30 HN LYS 30 -10.319 -13.069 -6.399 201 HA LYS 30 HA LYS 30 -10.747 -10.287 -6.007 202 HB2 LYS 30 HB2 LYS 30 -9.082 -11.214 -7.559 203 HB3 LYS 30 HB1 LYS 30 -10.370 -11.869 -8.558 204 HG2 LYS 30 HG2 LYS 30 -11.156 -9.567 -8.975 205 HG3 LYS 30 HG1 LYS 30 -9.781 -8.970 -8.039 206 HD2 LYS 30 HD2 LYS 30 -8.255 -10.062 -9.578 207 HD3 LYS 30 HD1 LYS 30 -9.625 -10.663 -10.514 208 HE2 LYS 30 HE2 LYS 30 -10.306 -8.226 -10.772 209 HE3 LYS 30 HE1 LYS 30 -8.701 -7.831 -10.160 210 HZ1 LYS 30 HZ1 LYS 30 -9.231 -9.523 -12.536 211 HZ2 LYS 30 HZ2 LYS 30 -7.715 -9.015 -11.989 212 HZ3 LYS 30 HZ3 LYS 30 -8.823 -7.888 -12.598 213 H GLU 31 HN GLU 31 -12.557 -12.837 -7.709 214 HA GLU 31 HA GLU 31 -14.429 -11.084 -8.890 215 HB2 GLU 31 HB2 GLU 31 -15.613 -12.993 -9.597 216 HB3 GLU 31 HB1 GLU 31 -13.923 -13.471 -9.615 217 HG2 GLU 31 HG2 GLU 31 -14.253 -14.616 -7.458 218 HG3 GLU 31 HG1 GLU 31 -15.947 -14.124 -7.491 219 H ALA 32 HN ALA 32 -14.338 -12.813 -5.829 220 HA ALA 32 HA ALA 32 -17.033 -12.454 -5.118 221 HB1 ALA 32 HB1 ALA 32 -16.337 -12.847 -2.831 222 HB2 ALA 32 HB2 ALA 32 -14.650 -12.614 -3.286 223 HB3 ALA 32 HB3 ALA 32 -15.554 -13.994 -3.921 224 H ALA 33 HN ALA 33 -14.217 -10.404 -4.793 225 HA ALA 33 HA ALA 33 -15.472 -8.471 -3.144 226 HB1 ALA 33 HB1 ALA 33 -13.565 -7.063 -3.662 227 HB2 ALA 33 HB2 ALA 33 -13.100 -8.136 -4.978 228 HB3 ALA 33 HB3 ALA 33 -13.027 -8.705 -3.311 229 H PHE 34 HN PHE 34 -14.642 -8.421 -6.641 230 HA PHE 34 HA PHE 34 -16.033 -6.015 -7.131 231 HB2 PHE 34 HB2 PHE 34 -15.157 -8.209 -8.985 232 HB3 PHE 34 HB1 PHE 34 -15.946 -6.736 -9.545 233 HD1 PHE 34 HD1 PHE 34 -12.917 -8.228 -8.333 234 HD2 PHE 34 HD2 PHE 34 -14.888 -4.556 -9.189 235 HE1 PHE 34 HE1 PHE 34 -10.750 -7.091 -8.309 236 HE2 PHE 34 HE2 PHE 34 -12.691 -3.396 -9.186 237 HZ PHE 34 HZ PHE 34 -10.622 -4.693 -8.725 238 H GLU 35 HN GLU 35 -17.053 -9.381 -7.585 239 HA GLU 35 HA GLU 35 -19.440 -8.832 -8.889 240 HB2 GLU 35 HB2 GLU 35 -18.430 -11.062 -8.776 241 HB3 GLU 35 HB1 GLU 35 -18.817 -11.154 -7.075 242 HG2 GLU 35 HG2 GLU 35 -21.190 -11.032 -7.585 243 HG3 GLU 35 HG1 GLU 35 -20.817 -10.920 -9.304 244 H ALA 36 HN ALA 36 -18.882 -9.475 -5.436 245 HA ALA 36 HA ALA 36 -21.573 -9.015 -4.720 246 HB1 ALA 36 HB1 ALA 36 -19.145 -8.885 -2.960 247 HB2 ALA 36 HB2 ALA 36 -20.069 -10.340 -3.347 248 HB3 ALA 36 HB3 ALA 36 -20.823 -9.026 -2.438 249 H ALA 37 HN ALA 37 -18.708 -6.934 -4.731 250 HA ALA 37 HA ALA 37 -19.806 -4.776 -3.343 251 HB1 ALA 37 HB1 ALA 37 -17.731 -4.640 -5.515 252 HB2 ALA 37 HB2 ALA 37 -17.412 -5.062 -3.836 253 HB3 ALA 37 HB3 ALA 37 -18.012 -3.452 -4.241 254 H CYS 38 HN CYS 38 -19.612 -5.289 -6.874 255 HA CYS 38 HA CYS 38 -20.997 -2.918 -7.442 256 HB2 CYS 38 HB2 CYS 38 -21.261 -3.773 -9.708 257 HB3 CYS 38 HB1 CYS 38 -19.613 -3.907 -9.103 258 HG CYS 38 HG CYS 38 -19.820 -6.678 -8.591 259 H ALA 39 HN ALA 39 -22.031 -6.234 -6.888 260 HA ALA 39 HA ALA 39 -24.707 -6.015 -7.687 261 HB1 ALA 39 HB1 ALA 39 -23.560 -7.764 -5.522 262 HB2 ALA 39 HB2 ALA 39 -23.588 -8.149 -7.240 263 HB3 ALA 39 HB3 ALA 39 -25.102 -7.998 -6.344 264 H ALA 40 HN ALA 40 -23.230 -5.644 -4.484 265 HA ALA 40 HA ALA 40 -25.599 -4.888 -3.109 266 HB1 ALA 40 HB1 ALA 40 -23.560 -5.669 -1.967 267 HB2 ALA 40 HB2 ALA 40 -24.122 -4.116 -1.340 268 HB3 ALA 40 HB3 ALA 40 -22.742 -4.177 -2.436 269 H ALA 41 HN ALA 41 -23.191 -3.046 -4.864 270 HA ALA 41 HA ALA 41 -24.057 -0.480 -4.121 271 HB1 ALA 41 HB1 ALA 41 -22.784 -1.364 -6.702 272 HB2 ALA 41 HB2 ALA 41 -21.942 -0.891 -5.226 273 HB3 ALA 41 HB3 ALA 41 -22.902 0.296 -6.109 274 H SER 42 HN SER 42 -25.126 -2.681 -6.655 275 HA SER 42 HA SER 42 -26.740 -0.875 -8.020 276 HB2 SER 42 HB2 SER 42 -27.199 -3.840 -7.664 277 HB3 SER 42 HB1 SER 42 -27.908 -2.808 -8.908 278 HG SER 42 HG SER 42 -25.131 -3.395 -8.567 279 H ASN 43 HN ASN 43 -27.460 -3.111 -5.347 280 HA ASN 43 HA ASN 43 -30.173 -2.445 -4.992 281 HB2 ASN 43 HB2 ASN 43 -29.169 -4.451 -3.978 282 HB3 ASN 43 HB1 ASN 43 -28.141 -3.446 -2.969 283 HD21 ASN 43 HD21 ASN 43 -28.872 -4.065 -1.009 284 HD22 ASN 43 HD22 ASN 43 -30.489 -3.797 -0.451 285 H ALA 44 HN ALA 44 -27.196 -1.204 -3.582 286 HA ALA 44 HA ALA 44 -28.322 0.471 -1.685 287 HB1 ALA 44 HB1 ALA 44 -26.164 1.585 -1.602 288 HB2 ALA 44 HB2 ALA 44 -25.706 0.826 -3.126 289 HB3 ALA 44 HB3 ALA 44 -25.972 -0.167 -1.693 290 H ILE 45 HN ILE 45 -27.214 1.261 -4.991 291 HA ILE 45 HA ILE 45 -27.979 3.983 -4.770 292 HB ILE 45 HB ILE 45 -26.249 3.244 -6.386 293 HG12 ILE 45 HG12 ILE 45 -28.580 4.577 -7.781 294 HG13 ILE 45 HG11 ILE 45 -27.488 5.396 -6.674 295 HG21 ILE 45 HG21 ILE 45 -28.544 2.058 -7.943 296 HG22 ILE 45 HG22 ILE 45 -27.252 1.164 -7.146 297 HG23 ILE 45 HG23 ILE 45 -26.883 2.213 -8.514 298 HD11 ILE 45 HD11 ILE 45 -26.704 4.103 -9.280 299 HD12 ILE 45 HD12 ILE 45 -25.622 4.951 -8.180 300 HD13 ILE 45 HD13 ILE 45 -26.913 5.832 -9.002 301 H LYS 46 HN LYS 46 -29.592 1.126 -6.003 302 HA LYS 46 HA LYS 46 -31.742 2.373 -7.298 303 HB2 LYS 46 HB2 LYS 46 -31.124 -0.019 -7.499 304 HB3 LYS 46 HB1 LYS 46 -31.736 -0.293 -5.877 305 HG2 LYS 46 HG2 LYS 46 -33.971 0.359 -6.615 306 HG3 LYS 46 HG1 LYS 46 -33.351 0.628 -8.246 307 HD2 LYS 46 HD2 LYS 46 -33.332 -2.002 -6.750 308 HD3 LYS 46 HD1 LYS 46 -34.430 -1.561 -8.057 309 HE2 LYS 46 HE2 LYS 46 -32.411 -1.236 -9.519 310 HE3 LYS 46 HE1 LYS 46 -31.446 -1.911 -8.206 311 HZ1 LYS 46 HZ1 LYS 46 -31.990 -3.605 -9.823 312 HZ2 LYS 46 HZ2 LYS 46 -33.639 -3.304 -9.645 313 HZ3 LYS 46 HZ3 LYS 46 -32.758 -3.956 -8.359 314 H PHE 47 HN PHE 47 -31.175 1.451 -3.983 315 HA PHE 47 HA PHE 47 -33.832 2.156 -3.067 316 HB2 PHE 47 HB2 PHE 47 -31.430 0.857 -1.958 317 HB3 PHE 47 HB1 PHE 47 -32.486 1.673 -0.809 318 HD1 PHE 47 HD1 PHE 47 -33.344 -0.249 -3.880 319 HD2 PHE 47 HD2 PHE 47 -33.509 -0.029 0.371 320 HE1 PHE 47 HE1 PHE 47 -34.802 -2.231 -3.841 321 HE2 PHE 47 HE2 PHE 47 -34.977 -2.017 0.415 322 HZ PHE 47 HZ PHE 47 -35.620 -3.117 -1.697 323 H GLY 48 HN GLY 48 -31.072 3.923 -3.695 324 HA2 GLY 48 HA2 GLY 48 -30.570 6.133 -3.172 325 HA3 GLY 48 HA1 GLY 48 -32.051 6.193 -2.228 326 H HIS 49 HN HIS 49 -29.855 3.657 -1.583 327 HA HIS 49 HA HIS 49 -29.444 4.412 1.117 328 HB2 HIS 49 HB2 HIS 49 -27.997 2.425 -0.632 329 HB3 HIS 49 HB1 HIS 49 -27.722 2.601 1.098 330 HD2 HIS 49 HD2 HIS 49 -31.186 2.871 1.498 331 HE1 HIS 49 HE1 HIS 49 -30.821 -1.251 0.562 332 HE2 HIS 49 HE2 HIS 49 -32.159 0.497 1.781 333 H GLU 50 HN GLU 50 -27.775 5.573 2.038 334 HA GLU 50 HA GLU 50 -26.268 7.293 0.424 335 HB2 GLU 50 HB2 GLU 50 -26.726 7.772 2.771 336 HB3 GLU 50 HB1 GLU 50 -25.697 6.422 3.258 337 HG2 GLU 50 HG2 GLU 50 -23.801 7.576 2.074 338 HG3 GLU 50 HG1 GLU 50 -24.859 8.968 1.885 339 H VAL 51 HN VAL 51 -24.481 6.978 -0.700 340 HA VAL 51 HA VAL 51 -22.973 4.542 -0.154 341 HB VAL 51 HB VAL 51 -22.117 4.752 -2.508 342 HG11 VAL 51 HG11 VAL 51 -23.949 3.225 -1.915 343 HG12 VAL 51 HG12 VAL 51 -24.129 3.857 -3.551 344 HG13 VAL 51 HG13 VAL 51 -25.114 4.508 -2.241 345 HG21 VAL 51 HG21 VAL 51 -23.321 6.170 -4.087 346 HG22 VAL 51 HG22 VAL 51 -22.579 7.157 -2.828 347 HG23 VAL 51 HG23 VAL 51 -24.311 6.819 -2.780 348 H ARG 52 HN ARG 52 -20.996 4.712 0.533 349 HA ARG 52 HA ARG 52 -19.705 7.349 0.391 350 HB2 ARG 52 HB2 ARG 52 -20.281 6.542 2.683 351 HB3 ARG 52 HB1 ARG 52 -19.249 5.144 2.400 352 HG2 ARG 52 HG2 ARG 52 -18.056 6.738 3.724 353 HG3 ARG 52 HG1 ARG 52 -17.333 6.662 2.114 354 HD2 ARG 52 HD2 ARG 52 -19.452 8.662 2.427 355 HD3 ARG 52 HD1 ARG 52 -18.009 8.951 3.400 356 HE ARG 52 HE ARG 52 -16.717 8.913 1.345 357 HH11 ARG 52 HH11 ARG 52 -20.203 9.205 0.916 358 HH12 ARG 52 HH12 ARG 52 -20.065 10.098 -0.554 359 HH21 ARG 52 HH21 ARG 52 -16.559 10.078 -0.624 360 HH22 ARG 52 HH22 ARG 52 -17.995 10.594 -1.436 361 H ILE 53 HN ILE 53 -18.126 7.352 -1.057 362 HA ILE 53 HA ILE 53 -16.730 4.828 -1.528 363 HB ILE 53 HB ILE 53 -16.790 7.330 -3.238 364 HG12 ILE 53 HG12 ILE 53 -18.131 4.662 -3.713 365 HG13 ILE 53 HG11 ILE 53 -18.959 6.092 -3.107 366 HG21 ILE 53 HG21 ILE 53 -14.717 6.067 -3.496 367 HG22 ILE 53 HG22 ILE 53 -15.717 5.910 -4.938 368 HG23 ILE 53 HG23 ILE 53 -15.639 4.589 -3.772 369 HD11 ILE 53 HD11 ILE 53 -18.387 7.268 -5.181 370 HD12 ILE 53 HD12 ILE 53 -19.363 5.827 -5.460 371 HD13 ILE 53 HD13 ILE 53 -17.631 5.795 -5.788 372 H THR 54 HN THR 54 -14.992 4.719 -0.283 373 HA THR 54 HA THR 54 -13.433 7.166 0.030 374 HB THR 54 HB THR 54 -13.578 4.856 1.978 375 HG1 THR 54 HG1 THR 54 -14.566 7.031 3.066 376 HG21 THR 54 HG21 THR 54 -12.435 6.427 3.501 377 HG22 THR 54 HG22 THR 54 -12.350 7.614 2.199 378 HG23 THR 54 HG23 THR 54 -11.462 6.096 2.066 379 H VAL 55 HN VAL 55 -12.071 6.840 -1.624 380 HA VAL 55 HA VAL 55 -10.400 4.438 -1.498 381 HB VAL 55 HB VAL 55 -9.872 4.890 -3.946 382 HG11 VAL 55 HG11 VAL 55 -11.907 3.818 -4.743 383 HG12 VAL 55 HG12 VAL 55 -12.737 4.251 -3.250 384 HG13 VAL 55 HG13 VAL 55 -11.395 3.114 -3.213 385 HG21 VAL 55 HG21 VAL 55 -12.294 6.690 -3.724 386 HG22 VAL 55 HG22 VAL 55 -11.494 6.214 -5.222 387 HG23 VAL 55 HG23 VAL 55 -10.641 7.212 -4.046 388 HA PRO 56 HA PRO 56 -7.562 7.832 -0.404 389 HB2 PRO 56 HB2 PRO 56 -6.077 6.423 1.346 390 HB3 PRO 56 HB1 PRO 56 -7.650 7.098 1.794 391 HG2 PRO 56 HG2 PRO 56 -6.967 4.302 0.959 392 HG3 PRO 56 HG1 PRO 56 -7.985 4.849 2.310 393 HD2 PRO 56 HD2 PRO 56 -9.004 4.016 -0.058 394 HD3 PRO 56 HD1 PRO 56 -9.793 5.246 0.947 395 H GLY 57 HN GLY 57 -5.491 8.209 -1.116 396 HA2 GLY 57 HA2 GLY 57 -4.206 5.980 -2.553 397 HA3 GLY 57 HA1 GLY 57 -4.237 7.628 -3.178 398 H ASN 58 HN ASN 58 -4.033 8.205 -0.100 399 HA ASN 58 HA ASN 58 -1.130 8.290 -0.137 400 HB2 ASN 58 HB2 ASN 58 -1.324 10.017 1.615 401 HB3 ASN 58 HB1 ASN 58 -2.169 10.468 0.141 402 HD21 ASN 58 HD21 ASN 58 -2.492 11.424 2.849 403 HD22 ASN 58 HD22 ASN 58 -4.144 11.154 3.274 404 H ASP 59 HN ASP 59 -0.092 8.061 1.968 405 HA ASP 59 HA ASP 59 -0.808 5.482 3.054 406 HB2 ASP 59 HB2 ASP 59 1.505 7.313 3.714 407 HB3 ASP 59 HB1 ASP 59 1.352 5.634 4.218 408 H GLY 60 HN GLY 60 -2.281 5.333 4.666 409 HA2 GLY 60 HA2 GLY 60 -3.262 5.631 6.708 410 HA3 GLY 60 HA1 GLY 60 -1.794 6.463 7.201 411 H SER 61 HN SER 61 -4.745 6.970 5.288 412 HA SER 61 HA SER 61 -4.507 9.833 5.666 413 HB2 SER 61 HB2 SER 61 -6.574 9.903 4.257 414 HB3 SER 61 HB1 SER 61 -5.201 9.108 3.492 415 HG SER 61 HG SER 61 -6.272 7.300 3.466 416 H GLU 62 HN GLU 62 -6.002 7.242 7.279 417 HA GLU 62 HA GLU 62 -7.891 9.094 8.541 418 HB2 GLU 62 HB2 GLU 62 -7.976 6.085 8.351 419 HB3 GLU 62 HB1 GLU 62 -9.087 7.033 9.324 420 HG2 GLU 62 HG2 GLU 62 -8.757 7.260 6.341 421 HG3 GLU 62 HG1 GLU 62 -10.045 6.376 7.160 422 H THR 63 HN THR 63 -6.017 6.185 9.493 423 HA THR 63 HA THR 63 -5.058 7.622 11.828 424 HB THR 63 HB THR 63 -5.785 5.452 13.208 425 HG1 THR 63 HG1 THR 63 -8.040 5.852 11.545 426 HG21 THR 63 HG21 THR 63 -6.269 7.757 13.856 427 HG22 THR 63 HG22 THR 63 -7.690 6.737 14.072 428 HG23 THR 63 HG23 THR 63 -7.584 7.820 12.681 429 H ASN 64 HN ASN 64 -4.382 5.600 9.372 430 HA ASN 64 HA ASN 64 -2.515 4.444 8.787 431 HB2 ASN 64 HB2 ASN 64 -1.224 6.033 10.174 432 HB3 ASN 64 HB1 ASN 64 -1.483 5.007 11.577 433 HD21 ASN 64 HD21 ASN 64 -0.306 3.079 11.759 434 HD22 ASN 64 HD22 ASN 64 1.055 2.745 10.744 435 H LEU 65 HN LEU 65 -3.826 3.634 11.950 436 HA LEU 65 HA LEU 65 -4.358 1.682 12.961 437 HB2 LEU 65 HB2 LEU 65 -4.352 0.660 10.116 438 HB3 LEU 65 HB1 LEU 65 -4.853 -0.310 11.477 439 HG LEU 65 HG LEU 65 -6.829 0.452 10.451 440 HD11 LEU 65 HD11 LEU 65 -6.370 2.304 12.775 441 HD12 LEU 65 HD12 LEU 65 -6.810 0.599 12.898 442 HD13 LEU 65 HD13 LEU 65 -7.920 1.745 12.145 443 HD21 LEU 65 HD21 LEU 65 -5.673 3.239 10.491 444 HD22 LEU 65 HD22 LEU 65 -7.306 2.814 9.978 445 HD23 LEU 65 HD23 LEU 65 -5.916 2.223 9.071 446 H GLY 66 HN GLY 66 -3.642 -0.971 12.503 447 HA2 GLY 66 HA2 GLY 66 -0.835 -1.255 12.140 448 HA3 GLY 66 HA1 GLY 66 -1.272 -1.209 13.845 449 H VAL 67 HN VAL 67 -0.110 -3.436 12.582 450 HA VAL 67 HA VAL 67 -2.303 -5.279 12.163 451 HB VAL 67 HB VAL 67 -0.478 -6.965 11.670 452 HG11 VAL 67 HG11 VAL 67 -0.581 -4.439 10.018 453 HG12 VAL 67 HG12 VAL 67 -1.681 -5.814 9.902 454 HG13 VAL 67 HG13 VAL 67 0.014 -6.002 9.453 455 HG21 VAL 67 HG21 VAL 67 1.284 -4.503 11.764 456 HG22 VAL 67 HG22 VAL 67 1.771 -6.103 11.208 457 HG23 VAL 67 HG23 VAL 67 1.340 -5.849 12.900 458 H ILE 68 HN ILE 68 -3.238 -6.066 13.868 459 HA ILE 68 HA ILE 68 -1.684 -6.615 16.289 460 HB ILE 68 HB ILE 68 -3.855 -6.915 17.415 461 HG12 ILE 68 HG12 ILE 68 -5.081 -6.048 14.787 462 HG13 ILE 68 HG11 ILE 68 -5.090 -7.705 15.380 463 HG21 ILE 68 HG21 ILE 68 -4.550 -4.573 17.341 464 HG22 ILE 68 HG22 ILE 68 -3.609 -4.337 15.866 465 HG23 ILE 68 HG23 ILE 68 -2.794 -4.723 17.378 466 HD11 ILE 68 HD11 ILE 68 -6.384 -5.339 16.722 467 HD12 ILE 68 HD12 ILE 68 -6.406 -7.001 17.314 468 HD13 ILE 68 HD13 ILE 68 -7.217 -6.591 15.799 469 H THR 69 HN THR 69 -2.379 -8.260 13.603 470 HA THR 69 HA THR 69 -3.291 -10.693 14.872 471 HB THR 69 HB THR 69 -4.315 -10.167 12.739 472 HG1 THR 69 HG1 THR 69 -2.756 -12.258 11.838 473 HG21 THR 69 HG21 THR 69 -1.537 -10.303 11.553 474 HG22 THR 69 HG22 THR 69 -2.524 -8.851 11.714 475 HG23 THR 69 HG23 THR 69 -3.036 -10.149 10.637 476 H ASN 70 HN ASN 70 -1.984 -12.120 15.672 477 HA ASN 70 HA ASN 70 0.819 -12.146 14.853 478 HB2 ASN 70 HB2 ASN 70 1.260 -13.378 16.928 479 HB3 ASN 70 HB1 ASN 70 0.376 -11.897 17.282 480 HD21 ASN 70 HD21 ASN 70 0.365 -15.320 17.395 481 HD22 ASN 70 HD22 ASN 70 -1.136 -15.511 18.230 Start of MODEL 4 1 H MET 1 HT1 MET 1 1.729 -7.605 -3.608 2 HA MET 1 HA MET 1 2.162 -10.466 -4.196 3 HB2 MET 1 HB2 MET 1 -0.100 -9.016 -2.802 4 HB3 MET 1 HB1 MET 1 -0.179 -10.689 -3.333 5 HG2 MET 1 HG2 MET 1 1.657 -11.260 -1.843 6 HG3 MET 1 HG1 MET 1 1.759 -9.579 -1.319 7 HE1 MET 1 HE1 MET 1 0.276 -11.150 1.888 8 HE2 MET 1 HE2 MET 1 1.512 -10.092 1.206 9 HE3 MET 1 HE3 MET 1 1.527 -11.820 0.844 10 H GLY 2 HN GLY 2 0.460 -7.468 -4.964 11 HA2 GLY 2 HA2 GLY 2 -0.298 -6.820 -7.063 12 HA3 GLY 2 HA1 GLY 2 0.031 -8.444 -7.664 13 H LYS 3 HN LYS 3 -2.233 -6.442 -5.904 14 HA LYS 3 HA LYS 3 -4.474 -7.977 -6.803 15 HB2 LYS 3 HB2 LYS 3 -3.714 -9.391 -4.924 16 HB3 LYS 3 HB1 LYS 3 -3.776 -8.003 -3.849 17 HG2 LYS 3 HG2 LYS 3 -6.231 -7.874 -4.259 18 HG3 LYS 3 HG1 LYS 3 -6.109 -9.360 -5.204 19 HD2 LYS 3 HD2 LYS 3 -5.291 -9.084 -2.302 20 HD3 LYS 3 HD1 LYS 3 -6.841 -9.727 -2.848 21 HE2 LYS 3 HE2 LYS 3 -4.197 -10.909 -3.699 22 HE3 LYS 3 HE1 LYS 3 -5.030 -11.417 -2.232 23 HZ1 LYS 3 HZ1 LYS 3 -6.895 -12.145 -3.537 24 HZ2 LYS 3 HZ2 LYS 3 -5.500 -12.840 -4.166 25 HZ3 LYS 3 HZ3 LYS 3 -6.216 -11.532 -4.960 26 H ALA 4 HN ALA 4 -5.647 -6.250 -7.413 27 HA ALA 4 HA ALA 4 -5.682 -3.843 -5.789 28 HB1 ALA 4 HB1 ALA 4 -5.586 -3.581 -8.208 29 HB2 ALA 4 HB2 ALA 4 -7.100 -2.922 -7.592 30 HB3 ALA 4 HB3 ALA 4 -7.078 -4.493 -8.394 31 H TYR 5 HN TYR 5 -6.713 -4.433 -3.942 32 HA TYR 5 HA TYR 5 -9.442 -5.466 -4.195 33 HB2 TYR 5 HB2 TYR 5 -8.033 -6.936 -2.894 34 HB3 TYR 5 HB1 TYR 5 -7.516 -5.601 -1.870 35 HD1 TYR 5 HD1 TYR 5 -10.649 -7.362 -2.909 36 HD2 TYR 5 HD2 TYR 5 -8.559 -5.302 0.166 37 HE1 TYR 5 HE1 TYR 5 -12.490 -7.849 -1.340 38 HE2 TYR 5 HE2 TYR 5 -10.384 -5.785 1.744 39 HH TYR 5 HH TYR 5 -12.704 -6.361 1.776 40 H TYR 6 HN TYR 6 -11.114 -4.395 -3.432 41 HA TYR 6 HA TYR 6 -10.600 -2.070 -1.755 42 HB2 TYR 6 HB2 TYR 6 -12.540 -0.938 -2.782 43 HB3 TYR 6 HB1 TYR 6 -11.292 -1.277 -3.973 44 HD1 TYR 6 HD1 TYR 6 -14.717 -1.730 -3.047 45 HD2 TYR 6 HD2 TYR 6 -11.631 -3.234 -5.544 46 HE1 TYR 6 HE1 TYR 6 -16.398 -2.830 -4.456 47 HE2 TYR 6 HE2 TYR 6 -13.302 -4.335 -6.955 48 HH TYR 6 HH TYR 6 -15.674 -5.204 -6.616 49 H ASP 7 HN ASP 7 -11.566 -2.120 0.102 50 HA ASP 7 HA ASP 7 -13.209 -4.421 0.726 51 HB2 ASP 7 HB2 ASP 7 -11.190 -3.794 2.078 52 HB3 ASP 7 HB1 ASP 7 -12.054 -2.341 2.573 53 H ILE 8 HN ILE 8 -15.289 -4.182 0.485 54 HA ILE 8 HA ILE 8 -16.521 -1.567 0.684 55 HB ILE 8 HB ILE 8 -18.582 -2.678 -0.067 56 HG12 ILE 8 HG12 ILE 8 -16.885 -5.176 -0.284 57 HG13 ILE 8 HG11 ILE 8 -18.084 -4.897 0.974 58 HG21 ILE 8 HG21 ILE 8 -17.827 -3.194 -2.331 59 HG22 ILE 8 HG22 ILE 8 -16.162 -3.260 -1.757 60 HG23 ILE 8 HG23 ILE 8 -17.058 -1.743 -1.697 61 HD11 ILE 8 HD11 ILE 8 -18.637 -5.060 -1.983 62 HD12 ILE 8 HD12 ILE 8 -19.839 -4.817 -0.713 63 HD13 ILE 8 HD13 ILE 8 -18.942 -6.329 -0.796 64 H VAL 9 HN VAL 9 -18.236 -1.076 1.988 65 HA VAL 9 HA VAL 9 -18.561 -2.778 4.369 66 HB VAL 9 HB VAL 9 -19.051 0.207 4.120 67 HG11 VAL 9 HG11 VAL 9 -19.248 0.157 6.571 68 HG12 VAL 9 HG12 VAL 9 -19.055 -1.594 6.540 69 HG13 VAL 9 HG13 VAL 9 -20.465 -0.849 5.787 70 HG21 VAL 9 HG21 VAL 9 -17.059 0.491 5.531 71 HG22 VAL 9 HG22 VAL 9 -16.674 -0.233 3.969 72 HG23 VAL 9 HG23 VAL 9 -16.740 -1.238 5.418 73 H GLY 10 HN GLY 10 -20.622 -3.525 4.725 74 HA2 GLY 10 HA2 GLY 10 -22.600 -2.589 2.762 75 HA3 GLY 10 HA1 GLY 10 -22.556 -4.208 3.437 76 H SER 11 HN SER 11 -24.047 -1.302 3.555 77 HA SER 11 HA SER 11 -25.384 -1.946 6.031 78 HB2 SER 11 HB2 SER 11 -23.856 0.607 5.564 79 HB3 SER 11 HB1 SER 11 -25.016 0.386 6.881 80 HG SER 11 HG SER 11 -23.202 -1.648 6.730 81 H ASP 12 HN ASP 12 -27.473 -1.296 6.001 82 HA ASP 12 HA ASP 12 -28.579 -0.342 3.592 83 HB2 ASP 12 HB2 ASP 12 -29.750 -0.892 6.300 84 HB3 ASP 12 HB1 ASP 12 -30.712 -0.196 4.998 85 H ASN 13 HN ASN 13 -27.444 1.314 6.419 86 HA ASN 13 HA ASN 13 -28.716 3.727 5.307 87 HB2 ASN 13 HB2 ASN 13 -28.336 4.762 7.568 88 HB3 ASN 13 HB1 ASN 13 -29.538 3.484 7.496 89 HD21 ASN 13 HD21 ASN 13 -29.357 3.130 9.703 90 HD22 ASN 13 HD22 ASN 13 -28.004 2.307 10.401 91 H ARG 14 HN ARG 14 -25.630 2.414 6.366 92 HA ARG 14 HA ARG 14 -24.390 4.806 5.180 93 HB2 ARG 14 HB2 ARG 14 -23.268 3.276 7.538 94 HB3 ARG 14 HB1 ARG 14 -22.567 4.696 6.785 95 HG2 ARG 14 HG2 ARG 14 -25.137 4.570 8.345 96 HG3 ARG 14 HG1 ARG 14 -23.616 5.287 8.868 97 HD2 ARG 14 HD2 ARG 14 -25.403 6.224 6.627 98 HD3 ARG 14 HD1 ARG 14 -25.119 7.028 8.163 99 HE ARG 14 HE ARG 14 -23.475 7.122 5.813 100 HH11 ARG 14 HH11 ARG 14 -23.366 7.398 9.319 101 HH12 ARG 14 HH12 ARG 14 -22.072 8.537 9.299 102 HH21 ARG 14 HH21 ARG 14 -21.821 8.634 5.803 103 HH22 ARG 14 HH22 ARG 14 -21.166 9.238 7.289 104 H TRP 15 HN TRP 15 -24.157 3.757 3.252 105 HA TRP 15 HA TRP 15 -22.514 1.343 3.221 106 HB2 TRP 15 HB2 TRP 15 -24.421 0.975 1.914 107 HB3 TRP 15 HB1 TRP 15 -24.460 2.631 1.333 108 HD1 TRP 15 HD1 TRP 15 -22.873 3.257 -0.625 109 HE1 TRP 15 HE1 TRP 15 -21.745 1.855 -2.490 110 HE3 TRP 15 HE3 TRP 15 -23.400 -1.324 1.455 111 HZ2 TRP 15 HZ2 TRP 15 -21.164 -0.857 -2.976 112 HZ3 TRP 15 HZ3 TRP 15 -22.536 -3.294 0.248 113 HH2 TRP 15 HH2 TRP 15 -21.442 -3.059 -1.918 114 H GLY 16 HN GLY 16 -20.475 1.347 2.446 115 HA2 GLY 16 HA2 GLY 16 -19.530 3.689 1.011 116 HA3 GLY 16 HA1 GLY 16 -18.822 3.405 2.589 117 H ILE 17 HN ILE 17 -17.630 3.414 -0.098 118 HA ILE 17 HA ILE 17 -16.585 0.657 -0.233 119 HB ILE 17 HB ILE 17 -16.313 2.852 -2.323 120 HG12 ILE 17 HG12 ILE 17 -17.889 1.125 -3.612 121 HG13 ILE 17 HG11 ILE 17 -18.366 0.669 -1.982 122 HG21 ILE 17 HG21 ILE 17 -15.572 1.055 -3.809 123 HG22 ILE 17 HG22 ILE 17 -15.711 -0.098 -2.488 124 HG23 ILE 17 HG23 ILE 17 -14.520 1.201 -2.397 125 HD11 ILE 17 HD11 ILE 17 -19.105 2.928 -1.541 126 HD12 ILE 17 HD12 ILE 17 -19.881 2.304 -2.993 127 HD13 ILE 17 HD13 ILE 17 -18.546 3.452 -3.127 128 H ARG 18 HN ARG 18 -14.581 0.369 0.643 129 HA ARG 18 HA ARG 18 -12.822 2.733 0.838 130 HB2 ARG 18 HB2 ARG 18 -13.498 1.776 3.019 131 HB3 ARG 18 HB1 ARG 18 -12.818 0.226 2.537 132 HG2 ARG 18 HG2 ARG 18 -10.597 1.305 2.351 133 HG3 ARG 18 HG1 ARG 18 -11.305 2.802 2.953 134 HD2 ARG 18 HD2 ARG 18 -10.216 1.646 4.773 135 HD3 ARG 18 HD1 ARG 18 -11.960 1.610 5.023 136 HE ARG 18 HE ARG 18 -11.958 -0.670 4.712 137 HH11 ARG 18 HH11 ARG 18 -8.753 0.583 3.907 138 HH12 ARG 18 HH12 ARG 18 -8.026 -0.991 3.822 139 HH21 ARG 18 HH21 ARG 18 -10.947 -2.752 4.633 140 HH22 ARG 18 HH22 ARG 18 -9.256 -2.855 4.244 141 H HIS 19 HN HIS 19 -11.146 2.690 -0.543 142 HA HIS 19 HA HIS 19 -10.322 0.215 -1.789 143 HB2 HIS 19 HB2 HIS 19 -10.226 2.260 -3.106 144 HB3 HIS 19 HB1 HIS 19 -9.154 3.003 -1.928 145 HD1 HIS 19 HD1 HIS 19 -6.706 2.789 -2.366 146 HD2 HIS 19 HD2 HIS 19 -8.953 0.021 -4.521 147 HE1 HIS 19 HE1 HIS 19 -5.081 1.645 -3.898 148 H ASP 20 HN ASP 20 -8.904 -1.184 -1.001 149 HA ASP 20 HA ASP 20 -7.433 -0.505 1.403 150 HB2 ASP 20 HB2 ASP 20 -8.691 -2.755 0.778 151 HB3 ASP 20 HB1 ASP 20 -7.197 -3.119 -0.068 152 H ASP 21 HN ASP 21 -5.519 0.508 1.175 153 HA ASP 21 HA ASP 21 -4.243 0.486 -1.434 154 HB2 ASP 21 HB2 ASP 21 -2.979 2.396 -0.715 155 HB3 ASP 21 HB1 ASP 21 -4.654 2.622 -0.213 156 H ASP 22 HN ASP 22 -3.881 -1.328 1.306 157 HA ASP 22 HA ASP 22 -1.244 -2.181 0.373 158 HB2 ASP 22 HB2 ASP 22 -0.326 -2.326 2.610 159 HB3 ASP 22 HB1 ASP 22 -0.918 -0.692 2.378 160 HA PRO 23 HA PRO 23 -2.961 -6.211 0.800 161 HB2 PRO 23 HB2 PRO 23 -0.688 -7.349 2.248 162 HB3 PRO 23 HB1 PRO 23 -1.201 -7.632 0.585 163 HG2 PRO 23 HG2 PRO 23 1.054 -6.270 1.191 164 HG3 PRO 23 HG1 PRO 23 0.082 -5.923 -0.253 165 HD2 PRO 23 HD2 PRO 23 0.174 -4.465 2.363 166 HD3 PRO 23 HD1 PRO 23 0.096 -3.816 0.708 167 H THR 24 HN THR 24 -4.294 -4.967 2.573 168 HA THR 24 HA THR 24 -3.973 -6.293 5.158 169 HB THR 24 HB THR 24 -5.442 -3.842 4.233 170 HG1 THR 24 HG1 THR 24 -3.403 -3.467 5.029 171 HG21 THR 24 HG21 THR 24 -7.100 -5.088 5.527 172 HG22 THR 24 HG22 THR 24 -6.544 -3.676 6.424 173 HG23 THR 24 HG23 THR 24 -5.944 -5.282 6.848 174 H GLY 25 HN GLY 25 -6.269 -5.863 2.504 175 HA2 GLY 25 HA2 GLY 25 -7.964 -7.944 3.709 176 HA3 GLY 25 HA1 GLY 25 -8.471 -6.789 2.486 177 H ASP 26 HN ASP 26 -6.878 -9.812 3.081 178 HA ASP 26 HA ASP 26 -6.316 -10.205 0.268 179 HB2 ASP 26 HB2 ASP 26 -4.761 -11.227 1.819 180 HB3 ASP 26 HB1 ASP 26 -6.076 -12.098 2.614 181 H TYR 27 HN TYR 27 -8.006 -10.431 -0.955 182 HA TYR 27 HA TYR 27 -10.315 -11.903 0.010 183 HB2 TYR 27 HB2 TYR 27 -10.378 -9.607 -1.170 184 HB3 TYR 27 HB1 TYR 27 -10.103 -10.524 -2.644 185 HD1 TYR 27 HD1 TYR 27 -11.921 -11.203 -3.826 186 HD2 TYR 27 HD2 TYR 27 -12.337 -10.538 0.338 187 HE1 TYR 27 HE1 TYR 27 -14.302 -11.634 -4.018 188 HE2 TYR 27 HE2 TYR 27 -14.756 -10.977 0.182 189 HH TYR 27 HH TYR 27 -16.514 -10.931 -1.518 190 H SER 28 HN SER 28 -11.241 -13.636 -1.190 191 HA SER 28 HA SER 28 -9.336 -15.553 -1.919 192 HB2 SER 28 HB2 SER 28 -11.702 -15.906 -0.992 193 HB3 SER 28 HB1 SER 28 -12.259 -15.709 -2.658 194 HG SER 28 HG SER 28 -10.706 -17.759 -1.513 195 H SER 29 HN SER 29 -11.512 -13.601 -3.983 196 HA SER 29 HA SER 29 -9.720 -14.031 -6.200 197 HB2 SER 29 HB2 SER 29 -11.597 -14.790 -7.715 198 HB3 SER 29 HB1 SER 29 -11.094 -15.972 -6.510 199 HG SER 29 HG SER 29 -13.161 -16.004 -6.108 200 H LYS 30 HN LYS 30 -9.999 -12.565 -7.892 201 HA LYS 30 HA LYS 30 -10.845 -9.989 -7.084 202 HB2 LYS 30 HB2 LYS 30 -9.032 -10.464 -8.694 203 HB3 LYS 30 HB1 LYS 30 -10.242 -10.972 -9.864 204 HG2 LYS 30 HG2 LYS 30 -11.215 -8.754 -9.837 205 HG3 LYS 30 HG1 LYS 30 -10.020 -8.247 -8.642 206 HD2 LYS 30 HD2 LYS 30 -8.216 -8.730 -10.232 207 HD3 LYS 30 HD1 LYS 30 -9.415 -9.228 -11.427 208 HE2 LYS 30 HE2 LYS 30 -8.817 -7.021 -12.006 209 HE3 LYS 30 HE1 LYS 30 -10.385 -6.890 -11.220 210 HZ1 LYS 30 HZ1 LYS 30 -8.854 -5.187 -10.456 211 HZ2 LYS 30 HZ2 LYS 30 -7.757 -6.355 -9.949 212 HZ3 LYS 30 HZ3 LYS 30 -9.259 -6.222 -9.182 213 H GLU 31 HN GLU 31 -12.374 -12.400 -9.240 214 HA GLU 31 HA GLU 31 -14.384 -10.656 -10.161 215 HB2 GLU 31 HB2 GLU 31 -15.461 -12.544 -11.089 216 HB3 GLU 31 HB1 GLU 31 -13.729 -12.758 -11.316 217 HG2 GLU 31 HG2 GLU 31 -13.723 -14.273 -9.353 218 HG3 GLU 31 HG1 GLU 31 -15.474 -14.063 -9.259 219 H ALA 32 HN ALA 32 -14.224 -12.881 -7.430 220 HA ALA 32 HA ALA 32 -16.944 -12.745 -6.771 221 HB1 ALA 32 HB1 ALA 32 -14.548 -13.245 -5.019 222 HB2 ALA 32 HB2 ALA 32 -15.578 -14.454 -5.786 223 HB3 ALA 32 HB3 ALA 32 -16.220 -13.429 -4.496 224 H ALA 33 HN ALA 33 -14.229 -10.668 -6.100 225 HA ALA 33 HA ALA 33 -15.511 -9.065 -4.144 226 HB1 ALA 33 HB1 ALA 33 -13.213 -8.367 -5.974 227 HB2 ALA 33 HB2 ALA 33 -13.068 -9.137 -4.395 228 HB3 ALA 33 HB3 ALA 33 -13.686 -7.489 -4.519 229 H PHE 34 HN PHE 34 -14.842 -8.516 -7.609 230 HA PHE 34 HA PHE 34 -16.376 -6.146 -7.694 231 HB2 PHE 34 HB2 PHE 34 -15.380 -7.955 -9.869 232 HB3 PHE 34 HB1 PHE 34 -16.301 -6.488 -10.194 233 HD1 PHE 34 HD1 PHE 34 -13.157 -7.843 -8.960 234 HD2 PHE 34 HD2 PHE 34 -15.378 -4.319 -9.790 235 HE1 PHE 34 HE1 PHE 34 -11.108 -6.525 -8.748 236 HE2 PHE 34 HE2 PHE 34 -13.301 -2.975 -9.588 237 HZ PHE 34 HZ PHE 34 -11.164 -4.109 -9.055 238 H GLU 35 HN GLU 35 -17.206 -9.472 -8.517 239 HA GLU 35 HA GLU 35 -19.683 -8.961 -9.635 240 HB2 GLU 35 HB2 GLU 35 -18.582 -11.130 -9.759 241 HB3 GLU 35 HB1 GLU 35 -18.824 -11.354 -8.033 242 HG2 GLU 35 HG2 GLU 35 -21.254 -11.253 -8.369 243 HG3 GLU 35 HG1 GLU 35 -20.991 -11.098 -10.100 244 H ALA 36 HN ALA 36 -18.903 -9.905 -6.296 245 HA ALA 36 HA ALA 36 -21.576 -9.614 -5.390 246 HB1 ALA 36 HB1 ALA 36 -19.989 -11.077 -4.277 247 HB2 ALA 36 HB2 ALA 36 -20.716 -9.911 -3.170 248 HB3 ALA 36 HB3 ALA 36 -19.065 -9.669 -3.744 249 H ALA 37 HN ALA 37 -18.752 -7.460 -5.204 250 HA ALA 37 HA ALA 37 -19.960 -5.566 -3.528 251 HB1 ALA 37 HB1 ALA 37 -17.810 -5.007 -5.544 252 HB2 ALA 37 HB2 ALA 37 -17.538 -5.725 -3.956 253 HB3 ALA 37 HB3 ALA 37 -18.185 -4.085 -4.084 254 H CYS 38 HN CYS 38 -19.798 -5.702 -7.097 255 HA CYS 38 HA CYS 38 -21.178 -3.256 -7.379 256 HB2 CYS 38 HB2 CYS 38 -21.498 -3.809 -9.696 257 HB3 CYS 38 HB1 CYS 38 -19.855 -4.188 -9.202 258 HG CYS 38 HG CYS 38 -20.143 -6.894 -9.201 259 H ALA 39 HN ALA 39 -22.217 -6.605 -7.104 260 HA ALA 39 HA ALA 39 -24.949 -6.273 -7.661 261 HB1 ALA 39 HB1 ALA 39 -23.635 -8.201 -5.752 262 HB2 ALA 39 HB2 ALA 39 -23.899 -8.469 -7.476 263 HB3 ALA 39 HB3 ALA 39 -25.276 -8.334 -6.385 264 H ALA 40 HN ALA 40 -23.115 -6.074 -4.677 265 HA ALA 40 HA ALA 40 -25.255 -5.332 -2.986 266 HB1 ALA 40 HB1 ALA 40 -22.313 -4.732 -2.691 267 HB2 ALA 40 HB2 ALA 40 -23.128 -6.194 -2.143 268 HB3 ALA 40 HB3 ALA 40 -23.526 -4.639 -1.414 269 H ALA 41 HN ALA 41 -23.023 -3.418 -4.948 270 HA ALA 41 HA ALA 41 -23.807 -0.879 -3.952 271 HB1 ALA 41 HB1 ALA 41 -22.636 0.046 -5.853 272 HB2 ALA 41 HB2 ALA 41 -22.608 -1.534 -6.639 273 HB3 ALA 41 HB3 ALA 41 -21.693 -1.270 -5.156 274 H SER 42 HN SER 42 -24.948 -2.759 -6.743 275 HA SER 42 HA SER 42 -26.699 -0.745 -7.603 276 HB2 SER 42 HB2 SER 42 -27.961 -2.737 -8.674 277 HB3 SER 42 HB1 SER 42 -26.318 -2.397 -9.217 278 HG SER 42 HG SER 42 -25.598 -4.164 -8.258 279 H ASN 43 HN ASN 43 -26.989 -3.365 -5.312 280 HA ASN 43 HA ASN 43 -29.697 -3.087 -4.593 281 HB2 ASN 43 HB2 ASN 43 -28.439 -5.031 -3.885 282 HB3 ASN 43 HB1 ASN 43 -27.289 -4.029 -3.009 283 HD21 ASN 43 HD21 ASN 43 -27.782 -3.334 -0.970 284 HD22 ASN 43 HD22 ASN 43 -29.187 -3.853 -0.100 285 H ALA 44 HN ALA 44 -26.763 -1.536 -3.413 286 HA ALA 44 HA ALA 44 -27.833 -0.122 -1.282 287 HB1 ALA 44 HB1 ALA 44 -25.855 1.292 -1.444 288 HB2 ALA 44 HB2 ALA 44 -25.531 0.662 -3.060 289 HB3 ALA 44 HB3 ALA 44 -25.434 -0.406 -1.663 290 H ILE 45 HN ILE 45 -27.291 0.911 -4.624 291 HA ILE 45 HA ILE 45 -28.415 3.481 -4.339 292 HB ILE 45 HB ILE 45 -28.279 1.773 -6.825 293 HG12 ILE 45 HG12 ILE 45 -26.064 2.047 -5.822 294 HG13 ILE 45 HG11 ILE 45 -26.178 2.942 -7.331 295 HG21 ILE 45 HG21 ILE 45 -29.806 3.655 -7.094 296 HG22 ILE 45 HG22 ILE 45 -28.351 3.909 -8.058 297 HG23 ILE 45 HG23 ILE 45 -28.558 4.767 -6.536 298 HD11 ILE 45 HD11 ILE 45 -26.519 5.007 -6.057 299 HD12 ILE 45 HD12 ILE 45 -24.992 4.222 -5.664 300 HD13 ILE 45 HD13 ILE 45 -26.360 4.092 -4.557 301 H LYS 46 HN LYS 46 -29.755 0.382 -5.280 302 HA LYS 46 HA LYS 46 -32.292 1.231 -6.074 303 HB2 LYS 46 HB2 LYS 46 -31.410 -1.023 -6.472 304 HB3 LYS 46 HB1 LYS 46 -31.532 -1.378 -4.758 305 HG2 LYS 46 HG2 LYS 46 -33.962 -1.098 -4.878 306 HG3 LYS 46 HG1 LYS 46 -33.833 -0.765 -6.605 307 HD2 LYS 46 HD2 LYS 46 -32.902 -3.314 -5.290 308 HD3 LYS 46 HD1 LYS 46 -34.475 -3.113 -6.065 309 HE2 LYS 46 HE2 LYS 46 -33.375 -2.612 -8.184 310 HE3 LYS 46 HE1 LYS 46 -31.796 -2.787 -7.420 311 HZ1 LYS 46 HZ1 LYS 46 -32.366 -5.095 -6.924 312 HZ2 LYS 46 HZ2 LYS 46 -32.365 -4.781 -8.585 313 HZ3 LYS 46 HZ3 LYS 46 -33.832 -4.914 -7.754 314 H PHE 47 HN PHE 47 -31.087 0.326 -2.863 315 HA PHE 47 HA PHE 47 -33.705 0.705 -1.697 316 HB2 PHE 47 HB2 PHE 47 -31.940 -1.097 -1.070 317 HB3 PHE 47 HB1 PHE 47 -31.228 0.184 -0.100 318 HD1 PHE 47 HD1 PHE 47 -34.440 -1.591 -0.691 319 HD2 PHE 47 HD2 PHE 47 -32.011 0.555 2.064 320 HE1 PHE 47 HE1 PHE 47 -36.036 -2.102 1.112 321 HE2 PHE 47 HE2 PHE 47 -33.601 0.039 3.871 322 HZ PHE 47 HZ PHE 47 -35.613 -1.289 3.394 323 H GLY 48 HN GLY 48 -31.334 2.832 -2.534 324 HA2 GLY 48 HA2 GLY 48 -31.231 5.117 -2.047 325 HA3 GLY 48 HA1 GLY 48 -32.451 4.875 -0.818 326 H HIS 49 HN HIS 49 -29.574 2.978 -0.910 327 HA HIS 49 HA HIS 49 -28.798 3.668 1.737 328 HB2 HIS 49 HB2 HIS 49 -27.404 2.237 -0.521 329 HB3 HIS 49 HB1 HIS 49 -26.680 2.412 1.082 330 HD2 HIS 49 HD2 HIS 49 -30.278 1.597 1.674 331 HE1 HIS 49 HE1 HIS 49 -28.349 -2.158 1.277 332 HE2 HIS 49 HE2 HIS 49 -30.309 -0.950 2.240 333 H GLU 50 HN GLU 50 -27.346 5.255 2.448 334 HA GLU 50 HA GLU 50 -26.543 7.307 0.680 335 HB2 GLU 50 HB2 GLU 50 -26.765 7.628 3.112 336 HB3 GLU 50 HB1 GLU 50 -25.370 6.592 3.377 337 HG2 GLU 50 HG2 GLU 50 -23.990 8.182 2.069 338 HG3 GLU 50 HG1 GLU 50 -25.390 9.247 1.959 339 H VAL 51 HN VAL 51 -24.619 7.641 -0.419 340 HA VAL 51 HA VAL 51 -22.924 5.249 -0.572 341 HB VAL 51 HB VAL 51 -23.272 7.404 -2.657 342 HG11 VAL 51 HG11 VAL 51 -22.109 5.847 -4.151 343 HG12 VAL 51 HG12 VAL 51 -21.891 4.726 -2.804 344 HG13 VAL 51 HG13 VAL 51 -21.103 6.303 -2.777 345 HG21 VAL 51 HG21 VAL 51 -25.331 6.149 -2.381 346 HG22 VAL 51 HG22 VAL 51 -24.447 4.630 -2.513 347 HG23 VAL 51 HG23 VAL 51 -24.552 5.713 -3.903 348 H ARG 52 HN ARG 52 -21.119 5.437 0.519 349 HA ARG 52 HA ARG 52 -19.642 7.956 0.329 350 HB2 ARG 52 HB2 ARG 52 -19.594 5.842 2.460 351 HB3 ARG 52 HB1 ARG 52 -18.346 7.069 2.323 352 HG2 ARG 52 HG2 ARG 52 -21.263 7.673 2.584 353 HG3 ARG 52 HG1 ARG 52 -20.136 7.616 3.953 354 HD2 ARG 52 HD2 ARG 52 -18.783 9.358 2.869 355 HD3 ARG 52 HD1 ARG 52 -19.935 9.426 1.543 356 HE ARG 52 HE ARG 52 -20.510 10.221 4.320 357 HH11 ARG 52 HH11 ARG 52 -21.124 10.463 0.859 358 HH12 ARG 52 HH12 ARG 52 -22.174 11.828 1.014 359 HH21 ARG 52 HH21 ARG 52 -21.918 12.019 4.516 360 HH22 ARG 52 HH22 ARG 52 -22.633 12.711 3.100 361 H ILE 53 HN ILE 53 -17.563 7.989 -0.328 362 HA ILE 53 HA ILE 53 -16.557 5.474 -1.433 363 HB ILE 53 HB ILE 53 -16.614 8.181 -2.799 364 HG12 ILE 53 HG12 ILE 53 -17.901 5.597 -3.694 365 HG13 ILE 53 HG11 ILE 53 -18.749 6.791 -2.717 366 HG21 ILE 53 HG21 ILE 53 -15.581 7.002 -4.707 367 HG22 ILE 53 HG22 ILE 53 -15.436 5.552 -3.711 368 HG23 ILE 53 HG23 ILE 53 -14.538 7.007 -3.283 369 HD11 ILE 53 HD11 ILE 53 -19.276 6.978 -5.084 370 HD12 ILE 53 HD12 ILE 53 -17.573 7.295 -5.437 371 HD13 ILE 53 HD13 ILE 53 -18.503 8.432 -4.456 372 H THR 54 HN THR 54 -14.704 5.093 -0.461 373 HA THR 54 HA THR 54 -12.946 7.374 0.034 374 HB THR 54 HB THR 54 -12.100 6.086 2.038 375 HG1 THR 54 HG1 THR 54 -13.844 4.282 1.123 376 HG21 THR 54 HG21 THR 54 -13.955 6.793 3.510 377 HG22 THR 54 HG22 THR 54 -14.963 7.040 2.084 378 HG23 THR 54 HG23 THR 54 -13.526 8.025 2.327 379 H VAL 55 HN VAL 55 -11.710 7.077 -1.708 380 HA VAL 55 HA VAL 55 -10.303 4.516 -1.887 381 HB VAL 55 HB VAL 55 -11.582 4.796 -3.890 382 HG11 VAL 55 HG11 VAL 55 -10.308 7.508 -4.214 383 HG12 VAL 55 HG12 VAL 55 -11.989 7.184 -3.783 384 HG13 VAL 55 HG13 VAL 55 -11.386 6.731 -5.378 385 HG21 VAL 55 HG21 VAL 55 -9.368 3.861 -4.258 386 HG22 VAL 55 HG22 VAL 55 -8.690 5.472 -4.456 387 HG23 VAL 55 HG23 VAL 55 -9.836 4.849 -5.643 388 HA PRO 56 HA PRO 56 -6.917 7.418 -0.937 389 HB2 PRO 56 HB2 PRO 56 -5.873 6.141 1.160 390 HB3 PRO 56 HB1 PRO 56 -7.319 7.142 1.327 391 HG2 PRO 56 HG2 PRO 56 -7.071 4.179 1.231 392 HG3 PRO 56 HG1 PRO 56 -8.210 5.180 2.148 393 HD2 PRO 56 HD2 PRO 56 -8.727 3.877 -0.286 394 HD3 PRO 56 HD1 PRO 56 -9.726 5.141 0.459 395 H GLY 57 HN GLY 57 -4.751 7.212 -1.415 396 HA2 GLY 57 HA2 GLY 57 -3.835 4.535 -2.267 397 HA3 GLY 57 HA1 GLY 57 -3.391 6.011 -3.109 398 H ASN 58 HN ASN 58 -3.042 7.618 -0.873 399 HA ASN 58 HA ASN 58 -1.385 6.629 1.130 400 HB2 ASN 58 HB2 ASN 58 0.822 7.514 0.407 401 HB3 ASN 58 HB1 ASN 58 0.276 6.207 -0.633 402 HD21 ASN 58 HD21 ASN 58 2.206 8.330 -1.136 403 HD22 ASN 58 HD22 ASN 58 1.655 9.169 -2.540 404 H ASP 59 HN ASP 59 -2.050 8.015 2.629 405 HA ASP 59 HA ASP 59 -2.610 10.770 1.880 406 HB2 ASP 59 HB2 ASP 59 -2.935 9.327 4.521 407 HB3 ASP 59 HB1 ASP 59 -3.355 11.014 4.262 408 H GLY 60 HN GLY 60 -0.011 8.994 3.013 409 HA2 GLY 60 HA2 GLY 60 2.159 9.943 3.084 410 HA3 GLY 60 HA1 GLY 60 1.435 11.499 3.479 411 H SER 61 HN SER 61 -0.229 10.713 5.558 412 HA SER 61 HA SER 61 1.648 10.591 7.684 413 HB2 SER 61 HB2 SER 61 -0.530 10.435 9.064 414 HB3 SER 61 HB1 SER 61 -0.250 11.904 8.135 415 HG SER 61 HG SER 61 -1.925 9.704 7.449 416 H GLU 62 HN GLU 62 2.178 8.928 8.975 417 HA GLU 62 HA GLU 62 1.701 6.299 7.939 418 HB2 GLU 62 HB2 GLU 62 3.289 7.305 10.295 419 HB3 GLU 62 HB1 GLU 62 3.196 5.610 9.838 420 HG2 GLU 62 HG2 GLU 62 4.213 6.099 7.698 421 HG3 GLU 62 HG1 GLU 62 4.236 7.820 8.083 422 H THR 63 HN THR 63 -0.385 5.746 8.262 423 HA THR 63 HA THR 63 -0.992 4.975 10.992 424 HB THR 63 HB THR 63 -2.997 6.589 9.387 425 HG1 THR 63 HG1 THR 63 -0.974 7.335 11.030 426 HG21 THR 63 HG21 THR 63 -4.039 4.938 10.865 427 HG22 THR 63 HG22 THR 63 -4.285 6.566 11.502 428 HG23 THR 63 HG23 THR 63 -3.068 5.515 12.219 429 H ASN 64 HN ASN 64 -0.546 2.920 10.101 430 HA ASN 64 HA ASN 64 -2.527 1.885 8.208 431 HB2 ASN 64 HB2 ASN 64 -0.171 1.387 7.707 432 HB3 ASN 64 HB1 ASN 64 0.000 0.596 9.276 433 HD21 ASN 64 HD21 ASN 64 -1.424 0.410 6.104 434 HD22 ASN 64 HD22 ASN 64 -1.811 -1.274 6.146 435 H LEU 65 HN LEU 65 -4.309 1.158 9.097 436 HA LEU 65 HA LEU 65 -4.368 0.250 11.821 437 HB2 LEU 65 HB2 LEU 65 -6.535 0.236 9.724 438 HB3 LEU 65 HB1 LEU 65 -6.767 -0.127 11.423 439 HG LEU 65 HG LEU 65 -5.912 2.536 10.292 440 HD11 LEU 65 HD11 LEU 65 -8.099 3.307 11.054 441 HD12 LEU 65 HD12 LEU 65 -8.511 1.662 11.534 442 HD13 LEU 65 HD13 LEU 65 -8.241 2.044 9.832 443 HD21 LEU 65 HD21 LEU 65 -6.482 1.717 13.145 444 HD22 LEU 65 HD22 LEU 65 -6.206 3.364 12.585 445 HD23 LEU 65 HD23 LEU 65 -4.914 2.172 12.475 446 H GLY 66 HN GLY 66 -5.747 -1.384 8.987 447 HA2 GLY 66 HA2 GLY 66 -5.197 -3.530 8.193 448 HA3 GLY 66 HA1 GLY 66 -4.237 -3.793 9.641 449 H VAL 67 HN VAL 67 -5.724 -5.847 9.014 450 HA VAL 67 HA VAL 67 -8.319 -5.639 10.287 451 HB VAL 67 HB VAL 67 -8.551 -8.070 9.679 452 HG11 VAL 67 HG11 VAL 67 -9.493 -6.375 8.258 453 HG12 VAL 67 HG12 VAL 67 -8.791 -7.642 7.251 454 HG13 VAL 67 HG13 VAL 67 -7.940 -6.115 7.469 455 HG21 VAL 67 HG21 VAL 67 -5.943 -7.589 8.234 456 HG22 VAL 67 HG22 VAL 67 -6.962 -9.019 8.064 457 HG23 VAL 67 HG23 VAL 67 -6.179 -8.674 9.605 458 H ILE 68 HN ILE 68 -8.727 -6.158 12.307 459 HA ILE 68 HA ILE 68 -6.583 -7.304 13.916 460 HB ILE 68 HB ILE 68 -7.931 -6.666 15.871 461 HG12 ILE 68 HG12 ILE 68 -9.832 -5.419 13.871 462 HG13 ILE 68 HG11 ILE 68 -10.155 -6.906 14.763 463 HG21 ILE 68 HG21 ILE 68 -7.528 -4.422 13.894 464 HG22 ILE 68 HG22 ILE 68 -6.295 -5.107 14.948 465 HG23 ILE 68 HG23 ILE 68 -7.666 -4.246 15.644 466 HD11 ILE 68 HD11 ILE 68 -10.060 -5.651 16.858 467 HD12 ILE 68 HD12 ILE 68 -11.280 -5.004 15.768 468 HD13 ILE 68 HD13 ILE 68 -9.737 -4.169 15.960 469 H THR 69 HN THR 69 -8.715 -8.650 12.068 470 HA THR 69 HA THR 69 -9.988 -10.430 13.962 471 HB THR 69 HB THR 69 -10.125 -10.434 10.938 472 HG1 THR 69 HG1 THR 69 -12.105 -9.430 12.706 473 HG21 THR 69 HG21 THR 69 -12.190 -11.713 11.278 474 HG22 THR 69 HG22 THR 69 -11.922 -11.689 13.019 475 HG23 THR 69 HG23 THR 69 -10.805 -12.562 11.967 476 H ASN 70 HN ASN 70 -8.818 -12.039 14.724 477 HA ASN 70 HA ASN 70 -6.807 -13.326 13.040 478 HB2 ASN 70 HB2 ASN 70 -7.259 -13.309 16.019 479 HB3 ASN 70 HB1 ASN 70 -6.163 -14.449 15.249 480 HD21 ASN 70 HD21 ASN 70 -5.239 -12.598 13.234 481 HD22 ASN 70 HD22 ASN 70 -4.211 -11.466 14.038 Start of MODEL 5 1 H MET 1 HT1 MET 1 2.509 -8.580 -4.745 2 HA MET 1 HA MET 1 2.065 -6.232 -4.670 3 HB2 MET 1 HB2 MET 1 3.784 -5.488 -6.293 4 HB3 MET 1 HB1 MET 1 4.290 -6.921 -5.417 5 HG2 MET 1 HG2 MET 1 3.174 -6.928 -8.217 6 HG3 MET 1 HG1 MET 1 4.890 -6.939 -7.817 7 HE1 MET 1 HE1 MET 1 5.181 -8.879 -5.405 8 HE2 MET 1 HE2 MET 1 6.189 -9.005 -6.848 9 HE3 MET 1 HE3 MET 1 5.395 -10.440 -6.199 10 H GLY 2 HN GLY 2 0.589 -4.783 -5.184 11 HA2 GLY 2 HA2 GLY 2 -0.717 -3.404 -6.489 12 HA3 GLY 2 HA1 GLY 2 -0.023 -4.159 -7.916 13 H LYS 3 HN LYS 3 -1.506 -6.168 -5.511 14 HA LYS 3 HA LYS 3 -3.366 -7.205 -7.385 15 HB2 LYS 3 HB2 LYS 3 -2.291 -8.285 -5.241 16 HB3 LYS 3 HB1 LYS 3 -3.683 -7.588 -4.429 17 HG2 LYS 3 HG2 LYS 3 -5.188 -8.853 -5.805 18 HG3 LYS 3 HG1 LYS 3 -3.853 -9.444 -6.796 19 HD2 LYS 3 HD2 LYS 3 -2.926 -10.580 -4.811 20 HD3 LYS 3 HD1 LYS 3 -4.309 -10.027 -3.865 21 HE2 LYS 3 HE2 LYS 3 -5.820 -11.278 -5.288 22 HE3 LYS 3 HE1 LYS 3 -4.482 -11.761 -6.330 23 HZ1 LYS 3 HZ1 LYS 3 -5.095 -13.516 -4.795 24 HZ2 LYS 3 HZ2 LYS 3 -4.787 -12.508 -3.472 25 HZ3 LYS 3 HZ3 LYS 3 -3.526 -12.975 -4.494 26 H ALA 4 HN ALA 4 -5.538 -6.819 -7.645 27 HA ALA 4 HA ALA 4 -6.410 -4.227 -6.705 28 HB1 ALA 4 HB1 ALA 4 -7.804 -6.107 -8.589 29 HB2 ALA 4 HB2 ALA 4 -6.638 -4.878 -9.069 30 HB3 ALA 4 HB3 ALA 4 -8.169 -4.401 -8.334 31 H TYR 5 HN TYR 5 -6.904 -4.531 -4.531 32 HA TYR 5 HA TYR 5 -9.484 -5.839 -4.117 33 HB2 TYR 5 HB2 TYR 5 -7.966 -7.302 -2.977 34 HB3 TYR 5 HB1 TYR 5 -7.124 -5.939 -2.237 35 HD1 TYR 5 HD1 TYR 5 -10.343 -7.803 -2.273 36 HD2 TYR 5 HD2 TYR 5 -7.855 -5.088 -0.143 37 HE1 TYR 5 HE1 TYR 5 -11.819 -7.996 -0.309 38 HE2 TYR 5 HE2 TYR 5 -9.320 -5.274 1.823 39 HH TYR 5 HH TYR 5 -11.605 -5.878 2.384 40 H TYR 6 HN TYR 6 -10.992 -4.622 -3.258 41 HA TYR 6 HA TYR 6 -10.134 -2.299 -1.722 42 HB2 TYR 6 HB2 TYR 6 -12.316 -1.205 -2.408 43 HB3 TYR 6 HB1 TYR 6 -11.127 -1.379 -3.685 44 HD1 TYR 6 HD1 TYR 6 -14.442 -2.249 -2.537 45 HD2 TYR 6 HD2 TYR 6 -11.471 -3.104 -5.454 46 HE1 TYR 6 HE1 TYR 6 -16.141 -3.337 -3.950 47 HE2 TYR 6 HE2 TYR 6 -13.155 -4.192 -6.860 48 HH TYR 6 HH TYR 6 -16.476 -3.878 -6.337 49 H ASP 7 HN ASP 7 -10.946 -2.093 0.255 50 HA ASP 7 HA ASP 7 -12.243 -4.450 1.322 51 HB2 ASP 7 HB2 ASP 7 -10.190 -3.394 2.337 52 HB3 ASP 7 HB1 ASP 7 -11.179 -2.012 2.765 53 H ILE 8 HN ILE 8 -14.399 -4.469 1.230 54 HA ILE 8 HA ILE 8 -15.820 -1.933 1.243 55 HB ILE 8 HB ILE 8 -17.808 -3.213 0.563 56 HG12 ILE 8 HG12 ILE 8 -15.963 -5.600 0.405 57 HG13 ILE 8 HG11 ILE 8 -17.144 -5.355 1.688 58 HG21 ILE 8 HG21 ILE 8 -17.074 -3.716 -1.681 59 HG22 ILE 8 HG22 ILE 8 -15.398 -3.786 -1.141 60 HG23 ILE 8 HG23 ILE 8 -16.277 -2.255 -1.095 61 HD11 ILE 8 HD11 ILE 8 -17.732 -5.696 -1.245 62 HD12 ILE 8 HD12 ILE 8 -18.933 -5.404 0.005 63 HD13 ILE 8 HD13 ILE 8 -17.991 -6.892 0.021 64 H VAL 9 HN VAL 9 -17.639 -1.543 2.456 65 HA VAL 9 HA VAL 9 -17.868 -3.112 4.937 66 HB VAL 9 HB VAL 9 -18.353 -0.143 4.489 67 HG11 VAL 9 HG11 VAL 9 -18.851 -0.021 6.890 68 HG12 VAL 9 HG12 VAL 9 -18.721 -1.773 7.000 69 HG13 VAL 9 HG13 VAL 9 -20.001 -1.045 6.032 70 HG21 VAL 9 HG21 VAL 9 -15.993 -0.653 4.664 71 HG22 VAL 9 HG22 VAL 9 -16.269 -1.561 6.150 72 HG23 VAL 9 HG23 VAL 9 -16.534 0.183 6.120 73 H GLY 10 HN GLY 10 -19.929 -3.871 5.350 74 HA2 GLY 10 HA2 GLY 10 -21.871 -3.224 3.231 75 HA3 GLY 10 HA1 GLY 10 -21.784 -4.774 4.062 76 H SER 11 HN SER 11 -23.526 -2.080 3.764 77 HA SER 11 HA SER 11 -24.887 -2.486 6.265 78 HB2 SER 11 HB2 SER 11 -23.461 0.048 5.533 79 HB3 SER 11 HB1 SER 11 -24.741 -0.008 6.761 80 HG SER 11 HG SER 11 -22.786 -1.937 7.063 81 H ASP 12 HN ASP 12 -26.993 -2.323 5.921 82 HA ASP 12 HA ASP 12 -28.114 -1.463 3.471 83 HB2 ASP 12 HB2 ASP 12 -29.242 -3.203 4.641 84 HB3 ASP 12 HB1 ASP 12 -29.339 -2.249 6.118 85 H ASN 13 HN ASN 13 -27.155 0.351 6.194 86 HA ASN 13 HA ASN 13 -29.083 2.444 5.419 87 HB2 ASN 13 HB2 ASN 13 -27.310 2.232 7.851 88 HB3 ASN 13 HB1 ASN 13 -28.404 3.572 7.530 89 HD21 ASN 13 HD21 ASN 13 -30.485 1.802 6.445 90 HD22 ASN 13 HD22 ASN 13 -31.179 1.012 7.812 91 H ARG 14 HN ARG 14 -25.657 1.784 5.817 92 HA ARG 14 HA ARG 14 -25.063 4.005 4.065 93 HB2 ARG 14 HB2 ARG 14 -24.728 5.070 6.154 94 HB3 ARG 14 HB1 ARG 14 -23.853 3.685 6.792 95 HG2 ARG 14 HG2 ARG 14 -21.986 4.113 5.364 96 HG3 ARG 14 HG1 ARG 14 -22.880 5.361 4.484 97 HD2 ARG 14 HD2 ARG 14 -22.291 5.484 7.417 98 HD3 ARG 14 HD1 ARG 14 -21.243 6.183 6.179 99 HE ARG 14 HE ARG 14 -23.067 7.620 5.531 100 HH11 ARG 14 HH11 ARG 14 -23.394 6.051 8.668 101 HH12 ARG 14 HH12 ARG 14 -24.566 7.182 9.251 102 HH21 ARG 14 HH21 ARG 14 -24.646 9.106 6.319 103 HH22 ARG 14 HH22 ARG 14 -25.279 8.914 7.926 104 H TRP 15 HN TRP 15 -24.143 3.056 2.468 105 HA TRP 15 HA TRP 15 -22.390 0.810 3.050 106 HB2 TRP 15 HB2 TRP 15 -24.189 0.253 1.598 107 HB3 TRP 15 HB1 TRP 15 -23.892 1.657 0.589 108 HD1 TRP 15 HD1 TRP 15 -21.780 1.597 -0.950 109 HE1 TRP 15 HE1 TRP 15 -20.458 -0.348 -2.028 110 HE3 TRP 15 HE3 TRP 15 -23.446 -2.168 1.993 111 HZ2 TRP 15 HZ2 TRP 15 -20.168 -3.125 -1.642 112 HZ3 TRP 15 HZ3 TRP 15 -22.605 -4.448 1.596 113 HH2 TRP 15 HH2 TRP 15 -21.001 -4.913 -0.182 114 H GLY 16 HN GLY 16 -20.246 0.956 2.653 115 HA2 GLY 16 HA2 GLY 16 -19.335 3.386 1.256 116 HA3 GLY 16 HA1 GLY 16 -18.658 2.927 2.801 117 H ILE 17 HN ILE 17 -17.694 3.168 -0.131 118 HA ILE 17 HA ILE 17 -16.371 0.550 -0.344 119 HB ILE 17 HB ILE 17 -16.486 2.829 -2.350 120 HG12 ILE 17 HG12 ILE 17 -18.647 1.675 -2.102 121 HG13 ILE 17 HG11 ILE 17 -17.933 1.351 -3.677 122 HG21 ILE 17 HG21 ILE 17 -15.508 1.194 -3.937 123 HG22 ILE 17 HG22 ILE 17 -15.254 0.086 -2.586 124 HG23 ILE 17 HG23 ILE 17 -14.419 1.635 -2.621 125 HD11 ILE 17 HD11 ILE 17 -17.169 -0.842 -2.864 126 HD12 ILE 17 HD12 ILE 17 -18.922 -0.659 -2.767 127 HD13 ILE 17 HD13 ILE 17 -17.941 -0.518 -1.311 128 H ARG 18 HN ARG 18 -14.545 0.430 0.682 129 HA ARG 18 HA ARG 18 -12.832 2.800 1.042 130 HB2 ARG 18 HB2 ARG 18 -13.500 1.994 3.130 131 HB3 ARG 18 HB1 ARG 18 -13.405 0.325 2.623 132 HG2 ARG 18 HG2 ARG 18 -10.843 0.866 2.479 133 HG3 ARG 18 HG1 ARG 18 -11.281 2.130 3.629 134 HD2 ARG 18 HD2 ARG 18 -12.336 0.555 5.096 135 HD3 ARG 18 HD1 ARG 18 -12.115 -0.746 3.943 136 HE ARG 18 HE ARG 18 -10.420 -0.110 6.005 137 HH11 ARG 18 HH11 ARG 18 -9.737 -0.316 2.542 138 HH12 ARG 18 HH12 ARG 18 -8.353 -1.321 2.775 139 HH21 ARG 18 HH21 ARG 18 -8.699 -1.573 6.208 140 HH22 ARG 18 HH22 ARG 18 -7.741 -2.015 4.822 141 H HIS 19 HN HIS 19 -11.052 2.815 -0.226 142 HA HIS 19 HA HIS 19 -10.209 0.449 -1.631 143 HB2 HIS 19 HB2 HIS 19 -10.110 2.649 -2.713 144 HB3 HIS 19 HB1 HIS 19 -8.960 3.197 -1.503 145 HD1 HIS 19 HD1 HIS 19 -6.644 3.198 -2.345 146 HD2 HIS 19 HD2 HIS 19 -8.899 0.165 -4.071 147 HE1 HIS 19 HE1 HIS 19 -5.116 2.080 -3.992 148 H ASP 20 HN ASP 20 -8.696 -0.995 -1.045 149 HA ASP 20 HA ASP 20 -7.147 -0.404 1.363 150 HB2 ASP 20 HB2 ASP 20 -8.566 -2.546 1.050 151 HB3 ASP 20 HB1 ASP 20 -7.278 -3.073 -0.030 152 H ASP 21 HN ASP 21 -5.321 0.699 0.796 153 HA ASP 21 HA ASP 21 -3.864 -0.105 -1.601 154 HB2 ASP 21 HB2 ASP 21 -4.199 2.309 -1.122 155 HB3 ASP 21 HB1 ASP 21 -3.225 2.130 0.343 156 H ASP 22 HN ASP 22 -3.866 -0.671 1.700 157 HA ASP 22 HA ASP 22 -1.230 -1.981 1.536 158 HB2 ASP 22 HB2 ASP 22 -2.562 -0.682 3.934 159 HB3 ASP 22 HB1 ASP 22 -1.149 -1.723 4.052 160 HA PRO 23 HA PRO 23 -4.333 -5.315 1.243 161 HB2 PRO 23 HB2 PRO 23 -1.717 -6.734 1.563 162 HB3 PRO 23 HB1 PRO 23 -3.077 -7.107 0.496 163 HG2 PRO 23 HG2 PRO 23 -0.933 -5.856 -0.449 164 HG3 PRO 23 HG1 PRO 23 -2.557 -5.401 -0.987 165 HD2 PRO 23 HD2 PRO 23 -0.692 -3.954 0.814 166 HD3 PRO 23 HD1 PRO 23 -1.975 -3.318 -0.242 167 H THR 24 HN THR 24 -5.413 -5.225 3.128 168 HA THR 24 HA THR 24 -4.160 -6.565 5.421 169 HB THR 24 HB THR 24 -4.904 -4.239 5.886 170 HG1 THR 24 HG1 THR 24 -6.169 -4.817 7.761 171 HG21 THR 24 HG21 THR 24 -7.689 -5.311 5.420 172 HG22 THR 24 HG22 THR 24 -6.842 -4.189 4.358 173 HG23 THR 24 HG23 THR 24 -7.275 -3.693 5.996 174 H GLY 25 HN GLY 25 -6.921 -6.449 3.293 175 HA2 GLY 25 HA2 GLY 25 -7.891 -8.958 4.483 176 HA3 GLY 25 HA1 GLY 25 -8.920 -7.780 3.671 177 H ASP 26 HN ASP 26 -7.085 -10.575 3.309 178 HA ASP 26 HA ASP 26 -6.684 -10.287 0.469 179 HB2 ASP 26 HB2 ASP 26 -5.819 -12.551 0.544 180 HB3 ASP 26 HB1 ASP 26 -5.155 -11.617 1.874 181 H TYR 27 HN TYR 27 -7.630 -12.003 -1.027 182 HA TYR 27 HA TYR 27 -10.341 -12.649 -0.211 183 HB2 TYR 27 HB2 TYR 27 -11.260 -11.740 -2.336 184 HB3 TYR 27 HB1 TYR 27 -10.648 -10.524 -1.232 185 HD1 TYR 27 HD1 TYR 27 -10.705 -11.573 -4.574 186 HD2 TYR 27 HD2 TYR 27 -8.125 -9.801 -1.699 187 HE1 TYR 27 HE1 TYR 27 -9.345 -10.607 -6.383 188 HE2 TYR 27 HE2 TYR 27 -6.770 -8.838 -3.502 189 HH TYR 27 HH TYR 27 -7.783 -8.496 -6.554 190 H SER 28 HN SER 28 -11.200 -14.453 -1.063 191 HA SER 28 HA SER 28 -9.471 -16.419 -2.078 192 HB2 SER 28 HB2 SER 28 -12.491 -16.422 -2.100 193 HB3 SER 28 HB1 SER 28 -11.429 -17.831 -2.143 194 HG SER 28 HG SER 28 -10.629 -16.585 -0.059 195 H SER 29 HN SER 29 -11.914 -14.408 -3.672 196 HA SER 29 HA SER 29 -10.705 -15.113 -6.230 197 HB2 SER 29 HB2 SER 29 -13.677 -15.308 -5.678 198 HB3 SER 29 HB1 SER 29 -12.911 -15.509 -7.254 199 HG SER 29 HG SER 29 -11.662 -17.135 -5.602 200 H LYS 30 HN LYS 30 -10.776 -13.490 -7.723 201 HA LYS 30 HA LYS 30 -11.161 -10.821 -6.841 202 HB2 LYS 30 HB2 LYS 30 -9.627 -11.535 -8.678 203 HB3 LYS 30 HB1 LYS 30 -11.034 -11.855 -9.683 204 HG2 LYS 30 HG2 LYS 30 -11.679 -9.480 -9.443 205 HG3 LYS 30 HG1 LYS 30 -10.166 -9.203 -8.572 206 HD2 LYS 30 HD2 LYS 30 -10.385 -10.272 -11.380 207 HD3 LYS 30 HD1 LYS 30 -10.049 -8.594 -10.968 208 HE2 LYS 30 HE2 LYS 30 -7.996 -9.282 -9.831 209 HE3 LYS 30 HE1 LYS 30 -8.344 -10.965 -10.224 210 HZ1 LYS 30 HZ1 LYS 30 -8.292 -10.351 -12.568 211 HZ2 LYS 30 HZ2 LYS 30 -6.804 -10.080 -11.804 212 HZ3 LYS 30 HZ3 LYS 30 -7.832 -8.784 -12.145 213 H GLU 31 HN GLU 31 -13.099 -13.012 -8.817 214 HA GLU 31 HA GLU 31 -15.042 -11.126 -9.523 215 HB2 GLU 31 HB2 GLU 31 -16.341 -12.953 -10.313 216 HB3 GLU 31 HB1 GLU 31 -14.655 -13.292 -10.688 217 HG2 GLU 31 HG2 GLU 31 -14.553 -14.771 -8.727 218 HG3 GLU 31 HG1 GLU 31 -16.251 -14.425 -8.425 219 H ALA 32 HN ALA 32 -14.671 -13.182 -6.694 220 HA ALA 32 HA ALA 32 -17.324 -13.051 -5.773 221 HB1 ALA 32 HB1 ALA 32 -15.719 -14.598 -4.815 222 HB2 ALA 32 HB2 ALA 32 -16.447 -13.561 -3.587 223 HB3 ALA 32 HB3 ALA 32 -14.811 -13.236 -4.146 224 H ALA 33 HN ALA 33 -14.534 -10.972 -5.134 225 HA ALA 33 HA ALA 33 -15.952 -9.270 -3.357 226 HB1 ALA 33 HB1 ALA 33 -13.424 -8.728 -4.918 227 HB2 ALA 33 HB2 ALA 33 -13.510 -9.452 -3.314 228 HB3 ALA 33 HB3 ALA 33 -14.023 -7.782 -3.554 229 H PHE 34 HN PHE 34 -14.965 -8.941 -6.763 230 HA PHE 34 HA PHE 34 -16.193 -6.448 -7.131 231 HB2 PHE 34 HB2 PHE 34 -15.247 -8.556 -9.049 232 HB3 PHE 34 HB1 PHE 34 -16.093 -7.118 -9.632 233 HD1 PHE 34 HD1 PHE 34 -13.076 -8.462 -8.192 234 HD2 PHE 34 HD2 PHE 34 -15.116 -4.918 -9.341 235 HE1 PHE 34 HE1 PHE 34 -10.951 -7.241 -8.094 236 HE2 PHE 34 HE2 PHE 34 -12.974 -3.675 -9.262 237 HZ PHE 34 HZ PHE 34 -10.891 -4.867 -8.624 238 H GLU 35 HN GLU 35 -17.450 -9.707 -7.829 239 HA GLU 35 HA GLU 35 -19.823 -8.873 -9.012 240 HB2 GLU 35 HB2 GLU 35 -19.057 -11.185 -9.168 241 HB3 GLU 35 HB1 GLU 35 -19.317 -11.404 -7.446 242 HG2 GLU 35 HG2 GLU 35 -21.718 -10.986 -7.751 243 HG3 GLU 35 HG1 GLU 35 -21.460 -10.795 -9.481 244 H ALA 36 HN ALA 36 -19.164 -9.798 -5.633 245 HA ALA 36 HA ALA 36 -21.796 -9.350 -4.753 246 HB1 ALA 36 HB1 ALA 36 -19.242 -9.390 -3.178 247 HB2 ALA 36 HB2 ALA 36 -20.325 -10.751 -3.490 248 HB3 ALA 36 HB3 ALA 36 -20.868 -9.398 -2.497 249 H ALA 37 HN ALA 37 -18.884 -7.333 -4.666 250 HA ALA 37 HA ALA 37 -20.004 -5.234 -3.199 251 HB1 ALA 37 HB1 ALA 37 -18.125 -3.911 -3.934 252 HB2 ALA 37 HB2 ALA 37 -17.776 -5.081 -5.208 253 HB3 ALA 37 HB3 ALA 37 -17.602 -5.545 -3.516 254 H CYS 38 HN CYS 38 -19.732 -5.622 -6.767 255 HA CYS 38 HA CYS 38 -21.010 -3.143 -7.241 256 HB2 CYS 38 HB2 CYS 38 -21.294 -3.837 -9.554 257 HB3 CYS 38 HB1 CYS 38 -19.650 -4.123 -8.978 258 HG CYS 38 HG CYS 38 -19.856 -6.836 -8.812 259 H ALA 39 HN ALA 39 -22.214 -6.444 -6.859 260 HA ALA 39 HA ALA 39 -24.875 -5.993 -7.611 261 HB1 ALA 39 HB1 ALA 39 -23.856 -7.938 -5.541 262 HB2 ALA 39 HB2 ALA 39 -23.933 -8.240 -7.278 263 HB3 ALA 39 HB3 ALA 39 -25.420 -8.007 -6.351 264 H ALA 40 HN ALA 40 -23.260 -5.757 -4.501 265 HA ALA 40 HA ALA 40 -25.507 -4.878 -3.042 266 HB1 ALA 40 HB1 ALA 40 -22.597 -4.393 -2.470 267 HB2 ALA 40 HB2 ALA 40 -23.492 -5.841 -2.017 268 HB3 ALA 40 HB3 ALA 40 -23.927 -4.277 -1.320 269 H ALA 41 HN ALA 41 -23.031 -3.216 -4.900 270 HA ALA 41 HA ALA 41 -23.666 -0.580 -4.119 271 HB1 ALA 41 HB1 ALA 41 -22.453 0.133 -6.094 272 HB2 ALA 41 HB2 ALA 41 -22.546 -1.490 -6.772 273 HB3 ALA 41 HB3 ALA 41 -21.589 -1.196 -5.316 274 H SER 42 HN SER 42 -24.913 -2.603 -6.779 275 HA SER 42 HA SER 42 -26.576 -0.609 -7.759 276 HB2 SER 42 HB2 SER 42 -27.994 -2.688 -8.565 277 HB3 SER 42 HB1 SER 42 -26.420 -2.340 -9.280 278 HG SER 42 HG SER 42 -26.792 -4.127 -7.095 279 H ASN 43 HN ASN 43 -27.002 -2.991 -5.212 280 HA ASN 43 HA ASN 43 -29.719 -2.518 -4.598 281 HB2 ASN 43 HB2 ASN 43 -28.470 -4.458 -3.725 282 HB3 ASN 43 HB1 ASN 43 -27.455 -3.380 -2.767 283 HD21 ASN 43 HD21 ASN 43 -28.000 -4.106 -0.767 284 HD22 ASN 43 HD22 ASN 43 -29.587 -3.989 -0.097 285 H ALA 44 HN ALA 44 -26.713 -1.029 -3.510 286 HA ALA 44 HA ALA 44 -27.702 0.549 -1.447 287 HB1 ALA 44 HB1 ALA 44 -25.357 1.045 -3.272 288 HB2 ALA 44 HB2 ALA 44 -25.332 0.184 -1.735 289 HB3 ALA 44 HB3 ALA 44 -25.667 1.914 -1.770 290 H ILE 45 HN ILE 45 -27.140 1.467 -4.856 291 HA ILE 45 HA ILE 45 -28.306 4.038 -4.461 292 HB ILE 45 HB ILE 45 -26.676 3.626 -6.292 293 HG12 ILE 45 HG12 ILE 45 -29.350 4.545 -7.366 294 HG13 ILE 45 HG11 ILE 45 -28.305 5.529 -6.359 295 HG21 ILE 45 HG21 ILE 45 -27.397 1.410 -6.988 296 HG22 ILE 45 HG22 ILE 45 -27.384 2.519 -8.360 297 HG23 ILE 45 HG23 ILE 45 -28.911 2.081 -7.599 298 HD11 ILE 45 HD11 ILE 45 -27.677 4.472 -9.109 299 HD12 ILE 45 HD12 ILE 45 -26.560 5.393 -8.099 300 HD13 ILE 45 HD13 ILE 45 -28.053 6.142 -8.672 301 H LYS 46 HN LYS 46 -29.511 0.922 -5.370 302 HA LYS 46 HA LYS 46 -32.024 1.609 -6.424 303 HB2 LYS 46 HB2 LYS 46 -31.032 -0.637 -6.536 304 HB3 LYS 46 HB1 LYS 46 -31.212 -0.803 -4.798 305 HG2 LYS 46 HG2 LYS 46 -33.643 -0.685 -5.046 306 HG3 LYS 46 HG1 LYS 46 -33.444 -0.567 -6.803 307 HD2 LYS 46 HD2 LYS 46 -32.314 -2.744 -6.819 308 HD3 LYS 46 HD1 LYS 46 -32.523 -2.863 -5.070 309 HE2 LYS 46 HE2 LYS 46 -34.954 -2.778 -5.378 310 HE3 LYS 46 HE1 LYS 46 -34.711 -2.709 -7.124 311 HZ1 LYS 46 HZ1 LYS 46 -35.220 -4.949 -6.365 312 HZ2 LYS 46 HZ2 LYS 46 -33.861 -4.942 -5.362 313 HZ3 LYS 46 HZ3 LYS 46 -33.676 -4.880 -7.041 314 H PHE 47 HN PHE 47 -30.990 0.953 -3.107 315 HA PHE 47 HA PHE 47 -33.631 1.507 -2.049 316 HB2 PHE 47 HB2 PHE 47 -31.109 0.397 -0.962 317 HB3 PHE 47 HB1 PHE 47 -32.237 1.120 0.159 318 HD1 PHE 47 HD1 PHE 47 -33.560 -0.521 -2.812 319 HD2 PHE 47 HD2 PHE 47 -32.452 -1.026 1.272 320 HE1 PHE 47 HE1 PHE 47 -34.840 -2.622 -2.736 321 HE2 PHE 47 HE2 PHE 47 -33.735 -3.138 1.350 322 HZ PHE 47 HZ PHE 47 -34.931 -3.932 -0.653 323 H GLY 48 HN GLY 48 -31.084 3.442 -2.891 324 HA2 GLY 48 HA2 GLY 48 -30.768 5.709 -2.473 325 HA3 GLY 48 HA1 GLY 48 -32.135 5.659 -1.376 326 H HIS 49 HN HIS 49 -29.532 3.440 -1.056 327 HA HIS 49 HA HIS 49 -29.001 4.170 1.625 328 HB2 HIS 49 HB2 HIS 49 -27.390 2.541 -0.349 329 HB3 HIS 49 HB1 HIS 49 -26.991 2.683 1.356 330 HD2 HIS 49 HD2 HIS 49 -30.506 2.212 1.812 331 HE1 HIS 49 HE1 HIS 49 -29.169 -1.712 0.901 332 HE2 HIS 49 HE2 HIS 49 -30.815 -0.350 2.189 333 H GLU 50 HN GLU 50 -27.445 5.572 2.448 334 HA GLU 50 HA GLU 50 -26.269 7.456 0.726 335 HB2 GLU 50 HB2 GLU 50 -26.628 7.866 3.130 336 HB3 GLU 50 HB1 GLU 50 -25.385 6.681 3.510 337 HG2 GLU 50 HG2 GLU 50 -23.759 8.081 2.224 338 HG3 GLU 50 HG1 GLU 50 -25.017 9.299 2.061 339 H VAL 51 HN VAL 51 -24.607 7.234 -0.582 340 HA VAL 51 HA VAL 51 -22.953 4.836 -0.277 341 HB VAL 51 HB VAL 51 -23.311 6.592 -2.719 342 HG11 VAL 51 HG11 VAL 51 -21.169 5.502 -2.750 343 HG12 VAL 51 HG12 VAL 51 -22.229 4.709 -3.917 344 HG13 VAL 51 HG13 VAL 51 -21.913 3.950 -2.356 345 HG21 VAL 51 HG21 VAL 51 -25.378 5.409 -2.155 346 HG22 VAL 51 HG22 VAL 51 -24.500 3.877 -2.140 347 HG23 VAL 51 HG23 VAL 51 -24.664 4.787 -3.644 348 H ARG 52 HN ARG 52 -20.910 5.011 0.214 349 HA ARG 52 HA ARG 52 -19.587 7.624 -0.110 350 HB2 ARG 52 HB2 ARG 52 -19.149 5.555 2.053 351 HB3 ARG 52 HB1 ARG 52 -18.224 7.034 1.859 352 HG2 ARG 52 HG2 ARG 52 -21.165 7.276 2.057 353 HG3 ARG 52 HG1 ARG 52 -20.277 6.855 3.529 354 HD2 ARG 52 HD2 ARG 52 -20.648 9.299 3.249 355 HD3 ARG 52 HD1 ARG 52 -18.951 8.860 3.356 356 HE ARG 52 HE ARG 52 -18.645 9.515 1.158 357 HH11 ARG 52 HH11 ARG 52 -22.085 9.462 1.804 358 HH12 ARG 52 HH12 ARG 52 -22.478 10.561 0.531 359 HH21 ARG 52 HH21 ARG 52 -19.166 10.933 -0.573 360 HH22 ARG 52 HH22 ARG 52 -20.814 11.396 -0.836 361 H ILE 53 HN ILE 53 -17.740 7.576 -1.244 362 HA ILE 53 HA ILE 53 -16.630 4.956 -1.850 363 HB ILE 53 HB ILE 53 -17.303 7.121 -3.853 364 HG12 ILE 53 HG12 ILE 53 -18.159 4.227 -3.778 365 HG13 ILE 53 HG11 ILE 53 -19.112 5.528 -3.077 366 HG21 ILE 53 HG21 ILE 53 -15.793 4.539 -4.297 367 HG22 ILE 53 HG22 ILE 53 -15.098 6.157 -4.325 368 HG23 ILE 53 HG23 ILE 53 -16.281 5.688 -5.550 369 HD11 ILE 53 HD11 ILE 53 -18.315 5.359 -5.972 370 HD12 ILE 53 HD12 ILE 53 -19.411 6.530 -5.221 371 HD13 ILE 53 HD13 ILE 53 -19.860 4.829 -5.305 372 H THR 54 HN THR 54 -14.679 4.973 -1.120 373 HA THR 54 HA THR 54 -13.119 7.423 -1.459 374 HB THR 54 HB THR 54 -11.877 6.757 0.600 375 HG1 THR 54 HG1 THR 54 -13.441 4.543 0.350 376 HG21 THR 54 HG21 THR 54 -13.576 7.474 2.188 377 HG22 THR 54 HG22 THR 54 -14.842 7.109 1.014 378 HG23 THR 54 HG23 THR 54 -13.693 8.411 0.699 379 H VAL 55 HN VAL 55 -12.078 6.898 -3.280 380 HA VAL 55 HA VAL 55 -10.111 4.775 -3.082 381 HB VAL 55 HB VAL 55 -11.871 3.576 -4.190 382 HG11 VAL 55 HG11 VAL 55 -12.040 5.871 -6.129 383 HG12 VAL 55 HG12 VAL 55 -13.257 5.399 -4.940 384 HG13 VAL 55 HG13 VAL 55 -12.889 4.333 -6.301 385 HG21 VAL 55 HG21 VAL 55 -10.846 3.038 -6.363 386 HG22 VAL 55 HG22 VAL 55 -9.648 3.153 -5.072 387 HG23 VAL 55 HG23 VAL 55 -9.836 4.479 -6.226 388 HA PRO 56 HA PRO 56 -8.169 8.302 -5.112 389 HB2 PRO 56 HB2 PRO 56 -6.017 8.390 -3.436 390 HB3 PRO 56 HB1 PRO 56 -7.549 9.200 -3.112 391 HG2 PRO 56 HG2 PRO 56 -6.385 6.904 -1.758 392 HG3 PRO 56 HG1 PRO 56 -7.783 7.880 -1.287 393 HD2 PRO 56 HD2 PRO 56 -7.711 5.283 -2.637 394 HD3 PRO 56 HD1 PRO 56 -9.087 6.126 -1.898 395 H GLY 57 HN GLY 57 -6.754 8.137 -6.752 396 HA2 GLY 57 HA2 GLY 57 -4.737 7.445 -7.771 397 HA3 GLY 57 HA1 GLY 57 -4.651 6.107 -6.637 398 H ASN 58 HN ASN 58 -4.973 6.749 -9.762 399 HA ASN 58 HA ASN 58 -5.548 5.538 -11.599 400 HB2 ASN 58 HB2 ASN 58 -4.500 3.706 -10.130 401 HB3 ASN 58 HB1 ASN 58 -6.142 3.207 -9.765 402 HD21 ASN 58 HD21 ASN 58 -5.841 1.213 -10.716 403 HD22 ASN 58 HD22 ASN 58 -5.749 0.995 -12.426 404 H ASP 59 HN ASP 59 -7.581 7.035 -10.110 405 HA ASP 59 HA ASP 59 -10.069 5.677 -10.161 406 HB2 ASP 59 HB2 ASP 59 -9.783 7.722 -8.861 407 HB3 ASP 59 HB1 ASP 59 -9.468 8.642 -10.327 408 H GLY 60 HN GLY 60 -8.312 7.542 -12.555 409 HA2 GLY 60 HA2 GLY 60 -8.520 7.275 -14.885 410 HA3 GLY 60 HA1 GLY 60 -10.061 6.472 -14.628 411 H SER 61 HN SER 61 -9.583 9.397 -12.917 412 HA SER 61 HA SER 61 -11.664 10.671 -14.458 413 HB2 SER 61 HB2 SER 61 -11.647 10.774 -11.980 414 HB3 SER 61 HB1 SER 61 -10.136 11.690 -12.041 415 HG SER 61 HG SER 61 -11.720 12.999 -13.605 416 H GLU 62 HN GLU 62 -8.270 10.630 -14.466 417 HA GLU 62 HA GLU 62 -8.261 12.989 -16.209 418 HB2 GLU 62 HB2 GLU 62 -7.273 13.640 -14.071 419 HB3 GLU 62 HB1 GLU 62 -6.133 12.303 -14.177 420 HG2 GLU 62 HG2 GLU 62 -5.104 13.290 -16.129 421 HG3 GLU 62 HG1 GLU 62 -6.292 14.591 -16.122 422 H THR 63 HN THR 63 -6.599 9.997 -15.309 423 HA THR 63 HA THR 63 -5.107 10.017 -17.782 424 HB THR 63 HB THR 63 -4.224 7.823 -16.952 425 HG1 THR 63 HG1 THR 63 -6.081 7.267 -15.693 426 HG21 THR 63 HG21 THR 63 -3.114 9.974 -16.408 427 HG22 THR 63 HG22 THR 63 -2.901 8.764 -15.141 428 HG23 THR 63 HG23 THR 63 -4.070 10.064 -14.926 429 H ASN 64 HN ASN 64 -6.546 9.771 -19.444 430 HA ASN 64 HA ASN 64 -8.393 7.511 -19.334 431 HB2 ASN 64 HB2 ASN 64 -9.202 9.742 -20.155 432 HB3 ASN 64 HB1 ASN 64 -8.090 9.593 -21.519 433 HD21 ASN 64 HD21 ASN 64 -11.108 8.655 -20.184 434 HD22 ASN 64 HD22 ASN 64 -11.643 7.693 -21.515 435 H LEU 65 HN LEU 65 -7.233 5.703 -19.672 436 HA LEU 65 HA LEU 65 -5.307 5.588 -21.862 437 HB2 LEU 65 HB2 LEU 65 -6.118 3.498 -19.844 438 HB3 LEU 65 HB1 LEU 65 -4.814 3.345 -21.003 439 HG LEU 65 HG LEU 65 -4.915 5.333 -18.738 440 HD11 LEU 65 HD11 LEU 65 -3.107 3.991 -17.781 441 HD12 LEU 65 HD12 LEU 65 -3.293 2.824 -19.087 442 HD13 LEU 65 HD13 LEU 65 -4.603 3.070 -17.930 443 HD21 LEU 65 HD21 LEU 65 -2.601 5.816 -19.329 444 HD22 LEU 65 HD22 LEU 65 -3.690 6.190 -20.660 445 HD23 LEU 65 HD23 LEU 65 -2.718 4.721 -20.707 446 H GLY 66 HN GLY 66 -8.539 5.171 -21.401 447 HA2 GLY 66 HA2 GLY 66 -9.431 4.546 -23.783 448 HA3 GLY 66 HA1 GLY 66 -8.869 2.970 -23.251 449 H VAL 67 HN VAL 67 -11.353 2.858 -23.748 450 HA VAL 67 HA VAL 67 -12.872 3.592 -21.378 451 HB VAL 67 HB VAL 67 -14.840 2.676 -22.711 452 HG11 VAL 67 HG11 VAL 67 -14.978 4.694 -24.122 453 HG12 VAL 67 HG12 VAL 67 -13.270 5.005 -23.817 454 HG13 VAL 67 HG13 VAL 67 -14.428 5.054 -22.485 455 HG21 VAL 67 HG21 VAL 67 -13.560 1.310 -24.295 456 HG22 VAL 67 HG22 VAL 67 -12.813 2.766 -24.945 457 HG23 VAL 67 HG23 VAL 67 -14.547 2.508 -25.133 458 H ILE 68 HN ILE 68 -13.122 2.225 -19.773 459 HA ILE 68 HA ILE 68 -12.573 -0.593 -20.207 460 HB ILE 68 HB ILE 68 -11.497 0.361 -18.262 461 HG12 ILE 68 HG12 ILE 68 -13.811 -1.371 -17.350 462 HG13 ILE 68 HG11 ILE 68 -12.333 -1.966 -18.100 463 HG21 ILE 68 HG21 ILE 68 -12.918 2.256 -17.832 464 HG22 ILE 68 HG22 ILE 68 -12.765 1.296 -16.359 465 HG23 ILE 68 HG23 ILE 68 -14.239 1.203 -17.327 466 HD11 ILE 68 HD11 ILE 68 -11.045 -1.054 -16.202 467 HD12 ILE 68 HD12 ILE 68 -12.222 -2.275 -15.720 468 HD13 ILE 68 HD13 ILE 68 -12.561 -0.569 -15.442 469 H THR 69 HN THR 69 -14.187 -1.882 -20.764 470 HA THR 69 HA THR 69 -16.893 -1.058 -20.024 471 HB THR 69 HB THR 69 -16.142 -3.165 -22.052 472 HG1 THR 69 HG1 THR 69 -15.597 -0.625 -22.219 473 HG21 THR 69 HG21 THR 69 -18.453 -3.264 -21.295 474 HG22 THR 69 HG22 THR 69 -18.405 -2.620 -22.935 475 HG23 THR 69 HG23 THR 69 -18.644 -1.535 -21.567 476 H ASN 70 HN ASN 70 -17.492 -1.932 -18.170 477 HA ASN 70 HA ASN 70 -16.654 -4.646 -17.503 478 HB2 ASN 70 HB2 ASN 70 -18.106 -2.574 -15.840 479 HB3 ASN 70 HB1 ASN 70 -17.627 -4.165 -15.273 480 HD21 ASN 70 HD21 ASN 70 -15.422 -4.618 -14.996 481 HD22 ASN 70 HD22 ASN 70 -14.263 -3.348 -14.818 Start of MODEL 6 1 H MET 1 HT1 MET 1 1.837 -5.290 -11.120 2 HA MET 1 HA MET 1 2.267 -7.519 -9.240 3 HB2 MET 1 HB2 MET 1 3.976 -5.105 -9.879 4 HB3 MET 1 HB1 MET 1 4.208 -6.117 -8.464 5 HG2 MET 1 HG2 MET 1 4.603 -8.049 -9.940 6 HG3 MET 1 HG1 MET 1 4.441 -6.979 -11.331 7 HE1 MET 1 HE1 MET 1 6.182 -5.260 -12.103 8 HE2 MET 1 HE2 MET 1 7.562 -4.727 -11.145 9 HE3 MET 1 HE3 MET 1 5.923 -4.350 -10.613 10 H GLY 2 HN GLY 2 1.112 -7.297 -7.472 11 HA2 GLY 2 HA2 GLY 2 0.651 -5.951 -5.503 12 HA3 GLY 2 HA1 GLY 2 0.469 -4.563 -6.568 13 H LYS 3 HN LYS 3 -1.097 -7.177 -5.050 14 HA LYS 3 HA LYS 3 -3.390 -7.290 -6.725 15 HB2 LYS 3 HB2 LYS 3 -3.004 -8.144 -3.855 16 HB3 LYS 3 HB1 LYS 3 -4.439 -8.493 -4.810 17 HG2 LYS 3 HG2 LYS 3 -3.062 -9.785 -6.382 18 HG3 LYS 3 HG1 LYS 3 -1.640 -9.430 -5.399 19 HD2 LYS 3 HD2 LYS 3 -2.414 -11.634 -4.833 20 HD3 LYS 3 HD1 LYS 3 -2.776 -10.561 -3.478 21 HE2 LYS 3 HE2 LYS 3 -5.083 -10.376 -4.204 22 HE3 LYS 3 HE1 LYS 3 -4.740 -11.360 -5.626 23 HZ1 LYS 3 HZ1 LYS 3 -4.589 -12.249 -2.792 24 HZ2 LYS 3 HZ2 LYS 3 -4.210 -13.205 -4.139 25 HZ3 LYS 3 HZ3 LYS 3 -5.795 -12.664 -3.904 26 H ALA 4 HN ALA 4 -4.968 -5.870 -6.894 27 HA ALA 4 HA ALA 4 -5.161 -3.682 -5.016 28 HB1 ALA 4 HB1 ALA 4 -6.960 -4.185 -7.391 29 HB2 ALA 4 HB2 ALA 4 -5.398 -3.374 -7.508 30 HB3 ALA 4 HB3 ALA 4 -6.692 -2.663 -6.543 31 H TYR 5 HN TYR 5 -6.038 -4.220 -3.173 32 HA TYR 5 HA TYR 5 -8.448 -5.865 -3.124 33 HB2 TYR 5 HB2 TYR 5 -6.916 -6.854 -1.694 34 HB3 TYR 5 HB1 TYR 5 -6.258 -5.316 -1.154 35 HD1 TYR 5 HD1 TYR 5 -9.364 -7.371 -0.963 36 HD2 TYR 5 HD2 TYR 5 -6.887 -4.476 0.899 37 HE1 TYR 5 HE1 TYR 5 -10.770 -7.475 1.058 38 HE2 TYR 5 HE2 TYR 5 -8.272 -4.566 2.919 39 HH TYR 5 HH TYR 5 -10.601 -5.149 3.487 40 H TYR 6 HN TYR 6 -10.355 -5.120 -2.376 41 HA TYR 6 HA TYR 6 -10.411 -2.720 -0.793 42 HB2 TYR 6 HB2 TYR 6 -11.987 -1.522 -2.167 43 HB3 TYR 6 HB1 TYR 6 -10.604 -1.931 -3.171 44 HD1 TYR 6 HD1 TYR 6 -14.153 -2.259 -2.671 45 HD2 TYR 6 HD2 TYR 6 -10.838 -3.760 -4.874 46 HE1 TYR 6 HE1 TYR 6 -15.691 -3.215 -4.315 47 HE2 TYR 6 HE2 TYR 6 -12.379 -4.726 -6.531 48 HH TYR 6 HH TYR 6 -15.681 -3.915 -6.635 49 H ASP 7 HN ASP 7 -11.779 -2.996 0.824 50 HA ASP 7 HA ASP 7 -13.649 -5.216 0.628 51 HB2 ASP 7 HB2 ASP 7 -13.889 -4.922 3.134 52 HB3 ASP 7 HB1 ASP 7 -12.303 -5.431 2.575 53 H ILE 8 HN ILE 8 -15.791 -5.021 1.129 54 HA ILE 8 HA ILE 8 -16.817 -2.314 0.771 55 HB ILE 8 HB ILE 8 -18.932 -3.367 0.080 56 HG12 ILE 8 HG12 ILE 8 -17.412 -5.987 0.256 57 HG13 ILE 8 HG11 ILE 8 -18.665 -5.478 1.381 58 HG21 ILE 8 HG21 ILE 8 -16.505 -4.330 -1.429 59 HG22 ILE 8 HG22 ILE 8 -17.276 -2.754 -1.585 60 HG23 ILE 8 HG23 ILE 8 -18.139 -4.209 -2.083 61 HD11 ILE 8 HD11 ILE 8 -19.031 -5.993 -1.564 62 HD12 ILE 8 HD12 ILE 8 -20.288 -5.463 -0.450 63 HD13 ILE 8 HD13 ILE 8 -19.543 -7.050 -0.247 64 H VAL 9 HN VAL 9 -18.403 -1.511 2.061 65 HA VAL 9 HA VAL 9 -18.682 -2.880 4.658 66 HB VAL 9 HB VAL 9 -18.802 0.077 3.993 67 HG11 VAL 9 HG11 VAL 9 -20.407 -0.433 5.744 68 HG12 VAL 9 HG12 VAL 9 -19.041 0.463 6.405 69 HG13 VAL 9 HG13 VAL 9 -19.159 -1.277 6.667 70 HG21 VAL 9 HG21 VAL 9 -16.800 -1.502 5.609 71 HG22 VAL 9 HG22 VAL 9 -16.805 0.250 5.414 72 HG23 VAL 9 HG23 VAL 9 -16.534 -0.787 4.016 73 H GLY 10 HN GLY 10 -20.729 -3.355 5.335 74 HA2 GLY 10 HA2 GLY 10 -22.875 -2.517 3.499 75 HA3 GLY 10 HA1 GLY 10 -22.861 -4.032 4.389 76 H SER 11 HN SER 11 -24.083 -1.009 4.258 77 HA SER 11 HA SER 11 -25.238 -1.232 6.901 78 HB2 SER 11 HB2 SER 11 -23.655 1.182 5.999 79 HB3 SER 11 HB1 SER 11 -24.666 1.134 7.443 80 HG SER 11 HG SER 11 -23.024 -0.966 7.497 81 H ASP 12 HN ASP 12 -27.349 -0.747 6.747 82 HA ASP 12 HA ASP 12 -28.474 -0.029 4.271 83 HB2 ASP 12 HB2 ASP 12 -30.625 -0.204 5.324 84 HB3 ASP 12 HB1 ASP 12 -29.601 -1.510 5.893 85 H ASN 13 HN ASN 13 -27.164 2.056 6.595 86 HA ASN 13 HA ASN 13 -28.886 4.212 5.512 87 HB2 ASN 13 HB2 ASN 13 -27.199 4.166 8.001 88 HB3 ASN 13 HB1 ASN 13 -28.025 5.596 7.393 89 HD21 ASN 13 HD21 ASN 13 -28.324 2.655 9.104 90 HD22 ASN 13 HD22 ASN 13 -29.995 2.800 9.514 91 H ARG 14 HN ARG 14 -25.589 3.158 5.955 92 HA ARG 14 HA ARG 14 -24.708 5.162 4.010 93 HB2 ARG 14 HB2 ARG 14 -23.238 4.573 6.600 94 HB3 ARG 14 HB1 ARG 14 -22.685 5.642 5.326 95 HG2 ARG 14 HG2 ARG 14 -25.167 6.086 6.974 96 HG3 ARG 14 HG1 ARG 14 -23.597 6.823 7.302 97 HD2 ARG 14 HD2 ARG 14 -25.269 7.188 4.813 98 HD3 ARG 14 HD1 ARG 14 -25.073 8.359 6.115 99 HE ARG 14 HE ARG 14 -23.241 7.811 3.968 100 HH11 ARG 14 HH11 ARG 14 -23.513 9.129 7.217 101 HH12 ARG 14 HH12 ARG 14 -22.128 10.145 7.044 102 HH21 ARG 14 HH21 ARG 14 -21.468 9.182 3.731 103 HH22 ARG 14 HH22 ARG 14 -20.935 10.166 5.062 104 H TRP 15 HN TRP 15 -24.204 3.757 2.400 105 HA TRP 15 HA TRP 15 -22.786 1.302 3.137 106 HB2 TRP 15 HB2 TRP 15 -24.945 1.444 1.685 107 HB3 TRP 15 HB1 TRP 15 -23.848 1.945 0.400 108 HD1 TRP 15 HD1 TRP 15 -21.717 0.071 0.032 109 HE1 TRP 15 HE1 TRP 15 -21.909 -2.495 -0.050 110 HE3 TRP 15 HE3 TRP 15 -26.200 -0.466 2.395 111 HZ2 TRP 15 HZ2 TRP 15 -23.739 -4.489 0.786 112 HZ3 TRP 15 HZ3 TRP 15 -27.105 -2.724 2.714 113 HH2 TRP 15 HH2 TRP 15 -25.903 -4.693 1.925 114 H GLY 16 HN GLY 16 -20.657 1.059 2.613 115 HA2 GLY 16 HA2 GLY 16 -19.489 3.172 0.917 116 HA3 GLY 16 HA1 GLY 16 -18.795 2.777 2.474 117 H ILE 17 HN ILE 17 -17.845 2.694 -0.366 118 HA ILE 17 HA ILE 17 -16.875 -0.092 -0.446 119 HB ILE 17 HB ILE 17 -16.637 2.051 -2.589 120 HG12 ILE 17 HG12 ILE 17 -19.019 1.542 -2.232 121 HG13 ILE 17 HG11 ILE 17 -18.472 0.906 -3.778 122 HG21 ILE 17 HG21 ILE 17 -14.966 0.296 -2.754 123 HG22 ILE 17 HG22 ILE 17 -16.121 0.167 -4.079 124 HG23 ILE 17 HG23 ILE 17 -16.227 -0.939 -2.713 125 HD11 ILE 17 HD11 ILE 17 -18.369 -1.337 -2.829 126 HD12 ILE 17 HD12 ILE 17 -19.971 -0.636 -2.619 127 HD13 ILE 17 HD13 ILE 17 -18.853 -0.702 -1.257 128 H ARG 18 HN ARG 18 -14.878 -0.286 0.535 129 HA ARG 18 HA ARG 18 -13.195 2.142 0.620 130 HB2 ARG 18 HB2 ARG 18 -14.120 1.228 2.787 131 HB3 ARG 18 HB1 ARG 18 -13.112 -0.185 2.531 132 HG2 ARG 18 HG2 ARG 18 -11.134 1.341 2.465 133 HG3 ARG 18 HG1 ARG 18 -12.215 2.648 2.959 134 HD2 ARG 18 HD2 ARG 18 -11.184 1.813 4.930 135 HD3 ARG 18 HD1 ARG 18 -12.850 1.235 4.935 136 HE ARG 18 HE ARG 18 -12.047 -0.931 4.250 137 HH11 ARG 18 HH11 ARG 18 -9.583 1.317 5.401 138 HH12 ARG 18 HH12 ARG 18 -8.407 0.072 5.662 139 HH21 ARG 18 HH21 ARG 18 -10.473 -2.531 4.556 140 HH22 ARG 18 HH22 ARG 18 -8.898 -2.111 5.172 141 H HIS 19 HN HIS 19 -11.592 1.974 -0.856 142 HA HIS 19 HA HIS 19 -10.399 -0.620 -1.425 143 HB2 HIS 19 HB2 HIS 19 -10.728 1.032 -3.256 144 HB3 HIS 19 HB1 HIS 19 -9.568 2.091 -2.466 145 HD1 HIS 19 HD1 HIS 19 -7.053 1.161 -2.348 146 HD2 HIS 19 HD2 HIS 19 -9.636 -0.923 -4.855 147 HE1 HIS 19 HE1 HIS 19 -5.578 -0.233 -3.829 148 H ASP 20 HN ASP 20 -9.312 -1.381 0.239 149 HA ASP 20 HA ASP 20 -7.550 0.349 1.717 150 HB2 ASP 20 HB2 ASP 20 -8.816 -1.638 2.719 151 HB3 ASP 20 HB1 ASP 20 -7.654 -2.665 1.887 152 H ASP 21 HN ASP 21 -5.586 0.801 1.106 153 HA ASP 21 HA ASP 21 -4.546 -0.378 -1.275 154 HB2 ASP 21 HB2 ASP 21 -2.822 1.284 -1.154 155 HB3 ASP 21 HB1 ASP 21 -4.372 2.020 -0.747 156 H ASP 22 HN ASP 22 -4.501 -1.402 1.831 157 HA ASP 22 HA ASP 22 -2.068 -2.976 1.335 158 HB2 ASP 22 HB2 ASP 22 -3.238 -2.159 4.014 159 HB3 ASP 22 HB1 ASP 22 -1.894 -3.270 3.804 160 HA PRO 23 HA PRO 23 -5.071 -6.241 1.240 161 HB2 PRO 23 HB2 PRO 23 -2.930 -8.183 1.621 162 HB3 PRO 23 HB1 PRO 23 -3.902 -7.876 0.182 163 HG2 PRO 23 HG2 PRO 23 -1.255 -7.257 0.356 164 HG3 PRO 23 HG1 PRO 23 -2.396 -6.377 -0.675 165 HD2 PRO 23 HD2 PRO 23 -1.277 -5.630 1.993 166 HD3 PRO 23 HD1 PRO 23 -1.612 -4.613 0.574 167 H THR 24 HN THR 24 -5.752 -5.449 3.411 168 HA THR 24 HA THR 24 -4.792 -6.733 5.764 169 HB THR 24 HB THR 24 -7.150 -5.870 6.597 170 HG1 THR 24 HG1 THR 24 -7.065 -3.879 4.748 171 HG21 THR 24 HG21 THR 24 -4.997 -4.895 7.247 172 HG22 THR 24 HG22 THR 24 -6.175 -3.627 6.899 173 HG23 THR 24 HG23 THR 24 -4.926 -4.021 5.720 174 H GLY 25 HN GLY 25 -7.423 -7.277 3.539 175 HA2 GLY 25 HA2 GLY 25 -7.719 -9.989 4.636 176 HA3 GLY 25 HA1 GLY 25 -9.141 -9.004 4.277 177 H ASP 26 HN ASP 26 -6.185 -10.253 2.820 178 HA ASP 26 HA ASP 26 -6.725 -9.538 0.202 179 HB2 ASP 26 HB2 ASP 26 -4.514 -10.235 0.955 180 HB3 ASP 26 HB1 ASP 26 -5.103 -11.879 1.187 181 H TYR 27 HN TYR 27 -7.783 -10.351 -1.400 182 HA TYR 27 HA TYR 27 -9.823 -12.299 -0.845 183 HB2 TYR 27 HB2 TYR 27 -9.343 -10.183 -2.776 184 HB3 TYR 27 HB1 TYR 27 -10.114 -11.605 -3.470 185 HD1 TYR 27 HD1 TYR 27 -10.448 -8.914 -0.982 186 HD2 TYR 27 HD2 TYR 27 -12.353 -12.148 -2.951 187 HE1 TYR 27 HE1 TYR 27 -12.616 -8.134 -0.148 188 HE2 TYR 27 HE2 TYR 27 -14.515 -11.400 -2.138 189 HH TYR 27 HH TYR 27 -15.458 -10.051 -0.339 190 H SER 28 HN SER 28 -10.052 -14.254 -1.689 191 HA SER 28 HA SER 28 -7.871 -15.580 -2.895 192 HB2 SER 28 HB2 SER 28 -10.762 -16.469 -2.795 193 HB3 SER 28 HB1 SER 28 -9.344 -17.499 -2.992 194 HG SER 28 HG SER 28 -10.501 -16.751 -0.739 195 H SER 29 HN SER 29 -10.589 -13.795 -4.057 196 HA SER 29 HA SER 29 -9.609 -14.024 -6.758 197 HB2 SER 29 HB2 SER 29 -11.921 -14.541 -7.602 198 HB3 SER 29 HB1 SER 29 -11.147 -15.869 -6.739 199 HG SER 29 HG SER 29 -12.628 -15.750 -5.247 200 H LYS 30 HN LYS 30 -10.061 -12.235 -7.971 201 HA LYS 30 HA LYS 30 -10.988 -9.871 -6.662 202 HB2 LYS 30 HB2 LYS 30 -9.853 -10.561 -9.261 203 HB3 LYS 30 HB1 LYS 30 -10.979 -9.210 -9.281 204 HG2 LYS 30 HG2 LYS 30 -9.741 -8.048 -7.646 205 HG3 LYS 30 HG1 LYS 30 -8.659 -9.421 -7.396 206 HD2 LYS 30 HD2 LYS 30 -7.978 -9.250 -9.800 207 HD3 LYS 30 HD1 LYS 30 -8.951 -7.786 -9.922 208 HE2 LYS 30 HE2 LYS 30 -6.661 -8.149 -8.001 209 HE3 LYS 30 HE1 LYS 30 -6.512 -7.396 -9.587 210 HZ1 LYS 30 HZ1 LYS 30 -8.273 -5.808 -8.810 211 HZ2 LYS 30 HZ2 LYS 30 -6.767 -5.678 -8.076 212 HZ3 LYS 30 HZ3 LYS 30 -8.040 -6.420 -7.241 213 H GLU 31 HN GLU 31 -12.431 -12.215 -8.807 214 HA GLU 31 HA GLU 31 -14.634 -10.669 -9.565 215 HB2 GLU 31 HB2 GLU 31 -15.645 -12.695 -10.309 216 HB3 GLU 31 HB1 GLU 31 -13.922 -12.811 -10.651 217 HG2 GLU 31 HG2 GLU 31 -13.675 -14.130 -8.564 218 HG3 GLU 31 HG1 GLU 31 -15.433 -14.078 -8.406 219 H ALA 32 HN ALA 32 -13.990 -12.654 -6.712 220 HA ALA 32 HA ALA 32 -16.626 -12.659 -5.712 221 HB1 ALA 32 HB1 ALA 32 -14.032 -12.686 -4.192 222 HB2 ALA 32 HB2 ALA 32 -14.894 -14.106 -4.790 223 HB3 ALA 32 HB3 ALA 32 -15.623 -13.085 -3.538 224 H ALA 33 HN ALA 33 -13.936 -10.418 -5.386 225 HA ALA 33 HA ALA 33 -15.253 -8.692 -3.558 226 HB1 ALA 33 HB1 ALA 33 -13.447 -7.115 -4.076 227 HB2 ALA 33 HB2 ALA 33 -12.939 -8.140 -5.417 228 HB3 ALA 33 HB3 ALA 33 -12.821 -8.736 -3.762 229 H PHE 34 HN PHE 34 -14.592 -8.456 -7.052 230 HA PHE 34 HA PHE 34 -15.999 -6.074 -7.359 231 HB2 PHE 34 HB2 PHE 34 -15.100 -8.127 -9.338 232 HB3 PHE 34 HB1 PHE 34 -16.039 -6.722 -9.842 233 HD1 PHE 34 HD1 PHE 34 -12.815 -7.928 -8.747 234 HD2 PHE 34 HD2 PHE 34 -15.159 -4.452 -9.479 235 HE1 PHE 34 HE1 PHE 34 -10.780 -6.582 -8.742 236 HE2 PHE 34 HE2 PHE 34 -13.099 -3.081 -9.489 237 HZ PHE 34 HZ PHE 34 -10.904 -4.169 -9.105 238 H GLU 35 HN GLU 35 -17.057 -9.431 -7.875 239 HA GLU 35 HA GLU 35 -19.541 -8.805 -8.944 240 HB2 GLU 35 HB2 GLU 35 -18.593 -11.056 -9.082 241 HB3 GLU 35 HB1 GLU 35 -18.795 -11.248 -7.347 242 HG2 GLU 35 HG2 GLU 35 -21.201 -11.063 -7.566 243 HG3 GLU 35 HG1 GLU 35 -21.049 -10.783 -9.296 244 H ALA 36 HN ALA 36 -18.589 -9.526 -5.601 245 HA ALA 36 HA ALA 36 -21.173 -9.194 -4.528 246 HB1 ALA 36 HB1 ALA 36 -20.139 -9.119 -2.378 247 HB2 ALA 36 HB2 ALA 36 -18.557 -8.833 -3.106 248 HB3 ALA 36 HB3 ALA 36 -19.383 -10.375 -3.357 249 H ALA 37 HN ALA 37 -18.448 -6.989 -4.921 250 HA ALA 37 HA ALA 37 -19.506 -4.838 -3.498 251 HB1 ALA 37 HB1 ALA 37 -17.634 -4.663 -5.841 252 HB2 ALA 37 HB2 ALA 37 -17.152 -5.091 -4.202 253 HB3 ALA 37 HB3 ALA 37 -17.836 -3.493 -4.527 254 H CYS 38 HN CYS 38 -19.715 -5.568 -6.998 255 HA CYS 38 HA CYS 38 -21.161 -3.229 -7.559 256 HB2 CYS 38 HB2 CYS 38 -21.767 -4.230 -9.693 257 HB3 CYS 38 HB1 CYS 38 -20.058 -4.469 -9.353 258 HG CYS 38 HG CYS 38 -21.085 -7.173 -8.229 259 H ALA 39 HN ALA 39 -22.131 -6.475 -6.598 260 HA ALA 39 HA ALA 39 -24.906 -6.201 -6.939 261 HB1 ALA 39 HB1 ALA 39 -23.818 -8.364 -6.611 262 HB2 ALA 39 HB2 ALA 39 -25.103 -8.104 -5.431 263 HB3 ALA 39 HB3 ALA 39 -23.417 -7.910 -4.953 264 H ALA 40 HN ALA 40 -22.804 -5.668 -4.173 265 HA ALA 40 HA ALA 40 -24.776 -4.860 -2.325 266 HB1 ALA 40 HB1 ALA 40 -21.869 -4.066 -2.445 267 HB2 ALA 40 HB2 ALA 40 -22.505 -5.520 -1.678 268 HB3 ALA 40 HB3 ALA 40 -22.928 -3.932 -1.038 269 H ALA 41 HN ALA 41 -22.789 -2.988 -4.579 270 HA ALA 41 HA ALA 41 -23.720 -0.452 -3.754 271 HB1 ALA 41 HB1 ALA 41 -21.666 -0.768 -5.078 272 HB2 ALA 41 HB2 ALA 41 -22.767 0.387 -5.824 273 HB3 ALA 41 HB3 ALA 41 -22.650 -1.255 -6.461 274 H SER 42 HN SER 42 -24.873 -2.737 -6.179 275 HA SER 42 HA SER 42 -26.813 -1.082 -7.300 276 HB2 SER 42 HB2 SER 42 -26.890 -4.086 -6.953 277 HB3 SER 42 HB1 SER 42 -27.923 -3.150 -8.034 278 HG SER 42 HG SER 42 -25.102 -3.479 -8.164 279 H ASN 43 HN ASN 43 -26.984 -3.383 -4.591 280 HA ASN 43 HA ASN 43 -29.693 -2.980 -3.931 281 HB2 ASN 43 HB2 ASN 43 -28.572 -4.879 -3.035 282 HB3 ASN 43 HB1 ASN 43 -27.339 -3.884 -2.265 283 HD21 ASN 43 HD21 ASN 43 -27.756 -2.991 -0.236 284 HD22 ASN 43 HD22 ASN 43 -29.179 -3.339 0.674 285 H ALA 44 HN ALA 44 -26.754 -1.373 -2.855 286 HA ALA 44 HA ALA 44 -27.890 0.210 -0.871 287 HB1 ALA 44 HB1 ALA 44 -25.528 0.847 -2.626 288 HB2 ALA 44 HB2 ALA 44 -25.483 -0.115 -1.150 289 HB3 ALA 44 HB3 ALA 44 -25.904 1.597 -1.075 290 H ILE 45 HN ILE 45 -27.257 0.975 -4.304 291 HA ILE 45 HA ILE 45 -28.373 3.572 -4.105 292 HB ILE 45 HB ILE 45 -26.722 2.922 -5.878 293 HG12 ILE 45 HG12 ILE 45 -27.817 4.215 -7.713 294 HG13 ILE 45 HG11 ILE 45 -29.330 4.134 -6.819 295 HG21 ILE 45 HG21 ILE 45 -27.631 0.770 -6.522 296 HG22 ILE 45 HG22 ILE 45 -27.537 1.839 -7.924 297 HG23 ILE 45 HG23 ILE 45 -29.088 1.552 -7.139 298 HD11 ILE 45 HD11 ILE 45 -26.797 5.460 -5.871 299 HD12 ILE 45 HD12 ILE 45 -28.323 5.401 -4.990 300 HD13 ILE 45 HD13 ILE 45 -28.223 6.276 -6.517 301 H LYS 46 HN LYS 46 -29.740 0.438 -4.843 302 HA LYS 46 HA LYS 46 -32.139 1.330 -6.009 303 HB2 LYS 46 HB2 LYS 46 -31.560 -1.181 -4.449 304 HB3 LYS 46 HB1 LYS 46 -33.105 -0.868 -5.223 305 HG2 LYS 46 HG2 LYS 46 -32.017 -0.767 -7.395 306 HG3 LYS 46 HG1 LYS 46 -30.448 -1.024 -6.630 307 HD2 LYS 46 HD2 LYS 46 -31.057 -3.151 -7.394 308 HD3 LYS 46 HD1 LYS 46 -31.489 -3.176 -5.683 309 HE2 LYS 46 HE2 LYS 46 -33.287 -4.149 -6.913 310 HE3 LYS 46 HE1 LYS 46 -33.816 -2.568 -6.340 311 HZ1 LYS 46 HZ1 LYS 46 -33.344 -1.656 -8.526 312 HZ2 LYS 46 HZ2 LYS 46 -34.436 -2.935 -8.652 313 HZ3 LYS 46 HZ3 LYS 46 -32.813 -3.162 -9.069 314 H PHE 47 HN PHE 47 -31.296 0.774 -2.610 315 HA PHE 47 HA PHE 47 -33.979 1.521 -1.789 316 HB2 PHE 47 HB2 PHE 47 -32.476 -0.331 -0.723 317 HB3 PHE 47 HB1 PHE 47 -31.733 1.014 0.132 318 HD1 PHE 47 HD1 PHE 47 -34.809 -0.942 -0.299 319 HD2 PHE 47 HD2 PHE 47 -32.928 2.192 1.883 320 HE1 PHE 47 HE1 PHE 47 -36.616 -1.018 1.368 321 HE2 PHE 47 HE2 PHE 47 -34.728 2.118 3.552 322 HZ PHE 47 HZ PHE 47 -36.580 0.512 3.295 323 H GLY 48 HN GLY 48 -31.292 3.199 -2.657 324 HA2 GLY 48 HA2 GLY 48 -30.996 5.510 -2.549 325 HA3 GLY 48 HA1 GLY 48 -32.291 5.591 -1.363 326 H HIS 49 HN HIS 49 -29.874 3.284 -0.766 327 HA HIS 49 HA HIS 49 -28.982 4.523 1.644 328 HB2 HIS 49 HB2 HIS 49 -27.740 2.293 -0.001 329 HB3 HIS 49 HB1 HIS 49 -27.269 2.709 1.640 330 HD2 HIS 49 HD2 HIS 49 -30.761 2.801 2.300 331 HE1 HIS 49 HE1 HIS 49 -30.047 -1.374 2.012 332 HE2 HIS 49 HE2 HIS 49 -31.476 0.417 3.028 333 H GLU 50 HN GLU 50 -27.236 5.968 1.894 334 HA GLU 50 HA GLU 50 -26.127 7.163 -0.409 335 HB2 GLU 50 HB2 GLU 50 -26.110 8.291 1.799 336 HB3 GLU 50 HB1 GLU 50 -24.902 7.134 2.359 337 HG2 GLU 50 HG2 GLU 50 -23.500 7.892 0.350 338 HG3 GLU 50 HG1 GLU 50 -24.611 9.247 0.239 339 H VAL 51 HN VAL 51 -24.481 6.596 -1.663 340 HA VAL 51 HA VAL 51 -22.928 4.254 -0.845 341 HB VAL 51 HB VAL 51 -23.217 5.475 -3.604 342 HG11 VAL 51 HG11 VAL 51 -21.098 4.289 -3.294 343 HG12 VAL 51 HG12 VAL 51 -22.158 3.409 -4.396 344 HG13 VAL 51 HG13 VAL 51 -21.970 2.863 -2.732 345 HG21 VAL 51 HG21 VAL 51 -25.330 4.515 -2.856 346 HG22 VAL 51 HG22 VAL 51 -24.515 3.004 -2.451 347 HG23 VAL 51 HG23 VAL 51 -24.619 3.528 -4.132 348 H ARG 52 HN ARG 52 -21.048 4.744 0.017 349 HA ARG 52 HA ARG 52 -19.680 7.198 -0.833 350 HB2 ARG 52 HB2 ARG 52 -20.084 6.513 1.665 351 HB3 ARG 52 HB1 ARG 52 -18.748 5.403 1.374 352 HG2 ARG 52 HG2 ARG 52 -17.830 7.344 2.360 353 HG3 ARG 52 HG1 ARG 52 -17.376 7.349 0.654 354 HD2 ARG 52 HD2 ARG 52 -19.872 8.757 1.451 355 HD3 ARG 52 HD1 ARG 52 -18.334 9.512 1.853 356 HE ARG 52 HE ARG 52 -17.812 9.528 -0.514 357 HH11 ARG 52 HH11 ARG 52 -21.180 8.775 0.231 358 HH12 ARG 52 HH12 ARG 52 -21.769 9.482 -1.227 359 HH21 ARG 52 HH21 ARG 52 -18.643 10.458 -2.445 360 HH22 ARG 52 HH22 ARG 52 -20.350 10.442 -2.735 361 H ILE 53 HN ILE 53 -18.002 7.016 -2.178 362 HA ILE 53 HA ILE 53 -16.847 4.350 -2.467 363 HB ILE 53 HB ILE 53 -17.071 6.520 -4.574 364 HG12 ILE 53 HG12 ILE 53 -18.474 3.844 -4.419 365 HG13 ILE 53 HG11 ILE 53 -19.228 5.384 -4.023 366 HG21 ILE 53 HG21 ILE 53 -15.045 5.190 -4.840 367 HG22 ILE 53 HG22 ILE 53 -16.201 4.795 -6.112 368 HG23 ILE 53 HG23 ILE 53 -15.991 3.705 -4.742 369 HD11 ILE 53 HD11 ILE 53 -18.854 6.126 -6.341 370 HD12 ILE 53 HD12 ILE 53 -19.872 4.693 -6.241 371 HD13 ILE 53 HD13 ILE 53 -18.178 4.539 -6.714 372 H THR 54 HN THR 54 -14.986 4.374 -1.446 373 HA THR 54 HA THR 54 -13.375 6.770 -1.792 374 HB THR 54 HB THR 54 -12.361 6.235 0.433 375 HG1 THR 54 HG1 THR 54 -12.841 4.196 0.938 376 HG21 THR 54 HG21 THR 54 -14.047 7.959 0.260 377 HG22 THR 54 HG22 THR 54 -14.259 7.063 1.764 378 HG23 THR 54 HG23 THR 54 -15.324 6.749 0.395 379 H VAL 55 HN VAL 55 -12.136 6.174 -3.421 380 HA VAL 55 HA VAL 55 -10.587 3.693 -3.155 381 HB VAL 55 HB VAL 55 -10.528 3.661 -5.709 382 HG11 VAL 55 HG11 VAL 55 -11.871 2.100 -4.364 383 HG12 VAL 55 HG12 VAL 55 -12.669 2.514 -5.879 384 HG13 VAL 55 HG13 VAL 55 -13.203 3.256 -4.371 385 HG21 VAL 55 HG21 VAL 55 -11.331 5.960 -6.077 386 HG22 VAL 55 HG22 VAL 55 -12.882 5.531 -5.361 387 HG23 VAL 55 HG23 VAL 55 -12.374 4.779 -6.872 388 HA PRO 56 HA PRO 56 -7.362 6.960 -3.392 389 HB2 PRO 56 HB2 PRO 56 -5.839 4.932 -1.894 390 HB3 PRO 56 HB1 PRO 56 -6.164 6.616 -1.471 391 HG2 PRO 56 HG2 PRO 56 -7.315 4.573 -0.156 392 HG3 PRO 56 HG1 PRO 56 -8.159 6.108 -0.439 393 HD2 PRO 56 HD2 PRO 56 -8.418 3.505 -1.886 394 HD3 PRO 56 HD1 PRO 56 -9.689 4.634 -1.366 395 H GLY 57 HN GLY 57 -5.706 6.986 -4.904 396 HA2 GLY 57 HA2 GLY 57 -3.916 5.158 -5.640 397 HA3 GLY 57 HA1 GLY 57 -5.350 4.602 -6.497 398 H ASN 58 HN ASN 58 -3.126 5.386 -7.881 399 HA ASN 58 HA ASN 58 -3.534 8.126 -8.659 400 HB2 ASN 58 HB2 ASN 58 -1.664 7.730 -10.273 401 HB3 ASN 58 HB1 ASN 58 -1.246 7.426 -8.595 402 HD21 ASN 58 HD21 ASN 58 0.491 6.162 -9.205 403 HD22 ASN 58 HD22 ASN 58 0.297 4.557 -9.822 404 H ASP 59 HN ASP 59 -4.154 8.846 -10.663 405 HA ASP 59 HA ASP 59 -6.234 7.405 -11.931 406 HB2 ASP 59 HB2 ASP 59 -4.691 9.801 -12.994 407 HB3 ASP 59 HB1 ASP 59 -6.222 9.217 -13.625 408 H GLY 60 HN GLY 60 -3.415 8.654 -13.682 409 HA2 GLY 60 HA2 GLY 60 -1.940 7.674 -15.138 410 HA3 GLY 60 HA1 GLY 60 -2.344 6.127 -14.416 411 H SER 61 HN SER 61 -5.053 7.720 -15.634 412 HA SER 61 HA SER 61 -5.022 5.913 -17.916 413 HB2 SER 61 HB2 SER 61 -6.988 5.853 -16.411 414 HB3 SER 61 HB1 SER 61 -7.327 7.536 -16.819 415 HG SER 61 HG SER 61 -8.560 6.103 -18.091 416 H GLU 62 HN GLU 62 -6.055 9.275 -17.316 417 HA GLU 62 HA GLU 62 -5.645 9.822 -20.130 418 HB2 GLU 62 HB2 GLU 62 -6.801 11.981 -19.630 419 HB3 GLU 62 HB1 GLU 62 -7.752 10.546 -19.292 420 HG2 GLU 62 HG2 GLU 62 -7.183 10.758 -16.905 421 HG3 GLU 62 HG1 GLU 62 -6.303 12.242 -17.271 422 H THR 63 HN THR 63 -3.550 9.678 -17.835 423 HA THR 63 HA THR 63 -2.342 12.303 -18.181 424 HB THR 63 HB THR 63 -0.598 11.349 -16.575 425 HG1 THR 63 HG1 THR 63 -0.979 9.151 -16.753 426 HG21 THR 63 HG21 THR 63 -3.475 11.493 -15.656 427 HG22 THR 63 HG22 THR 63 -2.389 12.866 -15.850 428 HG23 THR 63 HG23 THR 63 -2.056 11.644 -14.619 429 H ASN 64 HN ASN 64 -2.435 9.592 -19.947 430 HA ASN 64 HA ASN 64 0.393 9.564 -20.679 431 HB2 ASN 64 HB2 ASN 64 -1.904 7.748 -21.427 432 HB3 ASN 64 HB1 ASN 64 -0.310 7.632 -22.161 433 HD21 ASN 64 HD21 ASN 64 1.134 8.256 -19.724 434 HD22 ASN 64 HD22 ASN 64 0.996 6.870 -18.704 435 H LEU 65 HN LEU 65 0.889 11.189 -21.994 436 HA LEU 65 HA LEU 65 -0.955 12.123 -24.015 437 HB2 LEU 65 HB2 LEU 65 1.823 12.942 -23.195 438 HB3 LEU 65 HB1 LEU 65 1.082 13.568 -24.650 439 HG LEU 65 HG LEU 65 -0.765 14.496 -23.233 440 HD11 LEU 65 HD11 LEU 65 -0.424 14.720 -20.846 441 HD12 LEU 65 HD12 LEU 65 1.056 13.770 -20.946 442 HD13 LEU 65 HD13 LEU 65 -0.499 13.016 -21.300 443 HD21 LEU 65 HD21 LEU 65 1.010 15.921 -24.007 444 HD22 LEU 65 HD22 LEU 65 2.047 15.412 -22.676 445 HD23 LEU 65 HD23 LEU 65 0.597 16.358 -22.349 446 H GLY 66 HN GLY 66 -0.933 11.603 -26.133 447 HA2 GLY 66 HA2 GLY 66 -0.115 10.752 -28.140 448 HA3 GLY 66 HA1 GLY 66 1.399 10.373 -27.328 449 H VAL 67 HN VAL 67 -1.872 9.422 -26.441 450 HA VAL 67 HA VAL 67 -0.991 6.688 -26.131 451 HB VAL 67 HB VAL 67 -2.505 7.841 -24.481 452 HG11 VAL 67 HG11 VAL 67 -4.569 7.526 -26.647 453 HG12 VAL 67 HG12 VAL 67 -3.944 9.042 -25.997 454 HG13 VAL 67 HG13 VAL 67 -4.900 7.968 -24.974 455 HG21 VAL 67 HG21 VAL 67 -3.977 5.897 -24.117 456 HG22 VAL 67 HG22 VAL 67 -2.308 5.435 -24.447 457 HG23 VAL 67 HG23 VAL 67 -3.530 5.286 -25.712 458 H ILE 68 HN ILE 68 -1.868 4.899 -27.224 459 HA ILE 68 HA ILE 68 -2.804 5.475 -29.888 460 HB ILE 68 HB ILE 68 -2.703 3.040 -30.273 461 HG12 ILE 68 HG12 ILE 68 -1.747 2.811 -27.409 462 HG13 ILE 68 HG11 ILE 68 -3.371 2.393 -27.940 463 HG21 ILE 68 HG21 ILE 68 -0.700 4.370 -30.595 464 HG22 ILE 68 HG22 ILE 68 -0.290 2.753 -30.019 465 HG23 ILE 68 HG23 ILE 68 -0.245 4.122 -28.910 466 HD11 ILE 68 HD11 ILE 68 -0.819 1.086 -28.866 467 HD12 ILE 68 HD12 ILE 68 -2.447 0.669 -29.403 468 HD13 ILE 68 HD13 ILE 68 -1.980 0.413 -27.724 469 H THR 69 HN THR 69 -4.821 5.319 -30.596 470 HA THR 69 HA THR 69 -6.801 4.136 -28.794 471 HB THR 69 HB THR 69 -6.839 6.617 -28.605 472 HG1 THR 69 HG1 THR 69 -8.914 4.993 -29.173 473 HG21 THR 69 HG21 THR 69 -7.665 7.960 -30.498 474 HG22 THR 69 HG22 THR 69 -7.632 6.523 -31.522 475 HG23 THR 69 HG23 THR 69 -6.130 7.178 -30.876 476 H ASN 70 HN ASN 70 -5.396 4.130 -31.781 477 HA ASN 70 HA ASN 70 -7.470 2.440 -32.859 478 HB2 ASN 70 HB2 ASN 70 -7.613 3.572 -35.001 479 HB3 ASN 70 HB1 ASN 70 -8.042 4.707 -33.730 480 HD21 ASN 70 HD21 ASN 70 -6.779 6.475 -33.381 481 HD22 ASN 70 HD22 ASN 70 -5.463 6.923 -34.411 Start of MODEL 7 1 H MET 1 HT1 MET 1 -2.795 -7.988 -12.485 2 HA MET 1 HA MET 1 -0.357 -9.643 -12.252 3 HB2 MET 1 HB2 MET 1 -0.827 -6.968 -13.584 4 HB3 MET 1 HB1 MET 1 0.756 -7.675 -13.308 5 HG2 MET 1 HG2 MET 1 0.107 -9.591 -14.725 6 HG3 MET 1 HG1 MET 1 -1.420 -8.775 -15.058 7 HE1 MET 1 HE1 MET 1 -0.342 -5.668 -17.111 8 HE2 MET 1 HE2 MET 1 -0.566 -5.709 -15.366 9 HE3 MET 1 HE3 MET 1 -1.677 -6.588 -16.412 10 H GLY 2 HN GLY 2 -2.238 -8.623 -10.179 11 HA2 GLY 2 HA2 GLY 2 -0.522 -7.847 -8.226 12 HA3 GLY 2 HA1 GLY 2 -1.021 -6.339 -8.984 13 H LYS 3 HN LYS 3 -1.577 -7.181 -6.294 14 HA LYS 3 HA LYS 3 -4.235 -8.179 -6.135 15 HB2 LYS 3 HB2 LYS 3 -2.535 -6.733 -4.107 16 HB3 LYS 3 HB1 LYS 3 -4.103 -7.453 -3.757 17 HG2 LYS 3 HG2 LYS 3 -3.237 -9.649 -4.342 18 HG3 LYS 3 HG1 LYS 3 -1.675 -8.931 -4.738 19 HD2 LYS 3 HD2 LYS 3 -1.433 -8.174 -2.426 20 HD3 LYS 3 HD1 LYS 3 -2.999 -8.895 -2.031 21 HE2 LYS 3 HE2 LYS 3 -1.110 -10.331 -1.370 22 HE3 LYS 3 HE1 LYS 3 -2.151 -11.095 -2.571 23 HZ1 LYS 3 HZ1 LYS 3 0.384 -11.182 -2.883 24 HZ2 LYS 3 HZ2 LYS 3 0.229 -9.584 -3.443 25 HZ3 LYS 3 HZ3 LYS 3 -0.587 -10.840 -4.215 26 H ALA 4 HN ALA 4 -6.120 -7.175 -5.932 27 HA ALA 4 HA ALA 4 -6.275 -4.303 -5.610 28 HB1 ALA 4 HB1 ALA 4 -6.148 -4.582 -8.048 29 HB2 ALA 4 HB2 ALA 4 -7.744 -4.020 -7.553 30 HB3 ALA 4 HB3 ALA 4 -7.501 -5.711 -7.988 31 H TYR 5 HN TYR 5 -7.118 -4.962 -3.612 32 HA TYR 5 HA TYR 5 -9.670 -6.383 -3.704 33 HB2 TYR 5 HB2 TYR 5 -8.103 -7.526 -2.306 34 HB3 TYR 5 HB1 TYR 5 -7.660 -6.040 -1.476 35 HD1 TYR 5 HD1 TYR 5 -10.697 -8.116 -2.140 36 HD2 TYR 5 HD2 TYR 5 -8.541 -5.728 0.636 37 HE1 TYR 5 HE1 TYR 5 -12.359 -8.636 -0.406 38 HE2 TYR 5 HE2 TYR 5 -10.201 -6.240 2.375 39 HH TYR 5 HH TYR 5 -12.438 -8.724 2.104 40 H TYR 6 HN TYR 6 -11.483 -5.508 -3.021 41 HA TYR 6 HA TYR 6 -11.357 -2.846 -1.814 42 HB2 TYR 6 HB2 TYR 6 -13.370 -4.063 -3.698 43 HB3 TYR 6 HB1 TYR 6 -13.779 -2.689 -2.677 44 HD1 TYR 6 HD1 TYR 6 -11.346 -3.797 -5.266 45 HD2 TYR 6 HD2 TYR 6 -13.280 -0.523 -3.363 46 HE1 TYR 6 HE1 TYR 6 -10.378 -2.268 -6.929 47 HE2 TYR 6 HE2 TYR 6 -12.321 1.018 -5.024 48 HH TYR 6 HH TYR 6 -10.542 1.170 -6.606 49 H ASP 7 HN ASP 7 -11.855 -2.819 0.207 50 HA ASP 7 HA ASP 7 -13.246 -5.063 1.398 51 HB2 ASP 7 HB2 ASP 7 -11.144 -4.287 2.416 52 HB3 ASP 7 HB1 ASP 7 -11.832 -2.691 2.639 53 H ILE 8 HN ILE 8 -15.389 -4.919 1.385 54 HA ILE 8 HA ILE 8 -16.586 -2.255 1.426 55 HB ILE 8 HB ILE 8 -18.635 -3.326 0.568 56 HG12 ILE 8 HG12 ILE 8 -16.930 -5.818 0.341 57 HG13 ILE 8 HG11 ILE 8 -18.210 -5.582 1.526 58 HG21 ILE 8 HG21 ILE 8 -17.056 -2.334 -0.973 59 HG22 ILE 8 HG22 ILE 8 -17.787 -3.766 -1.693 60 HG23 ILE 8 HG23 ILE 8 -16.147 -3.844 -1.053 61 HD11 ILE 8 HD11 ILE 8 -18.573 -5.634 -1.459 62 HD12 ILE 8 HD12 ILE 8 -19.852 -5.427 -0.262 63 HD13 ILE 8 HD13 ILE 8 -18.957 -6.944 -0.345 64 H VAL 9 HN VAL 9 -18.370 -1.792 2.648 65 HA VAL 9 HA VAL 9 -18.731 -3.500 5.012 66 HB VAL 9 HB VAL 9 -19.280 -1.477 6.319 67 HG11 VAL 9 HG11 VAL 9 -17.002 -2.306 6.367 68 HG12 VAL 9 HG12 VAL 9 -17.009 -0.544 6.458 69 HG13 VAL 9 HG13 VAL 9 -16.601 -1.346 4.943 70 HG21 VAL 9 HG21 VAL 9 -20.088 -0.042 4.521 71 HG22 VAL 9 HG22 VAL 9 -18.466 0.044 3.837 72 HG23 VAL 9 HG23 VAL 9 -18.793 0.759 5.416 73 H GLY 10 HN GLY 10 -20.816 -3.941 5.660 74 HA2 GLY 10 HA2 GLY 10 -22.807 -3.171 3.630 75 HA3 GLY 10 HA1 GLY 10 -22.798 -4.708 4.478 76 H SER 11 HN SER 11 -24.137 -1.732 4.279 77 HA SER 11 HA SER 11 -25.725 -2.183 6.642 78 HB2 SER 11 HB2 SER 11 -24.155 0.373 6.210 79 HB3 SER 11 HB1 SER 11 -25.439 0.178 7.400 80 HG SER 11 HG SER 11 -23.574 -1.800 7.577 81 H ASP 12 HN ASP 12 -27.746 -2.073 5.875 82 HA ASP 12 HA ASP 12 -28.281 -0.932 3.325 83 HB2 ASP 12 HB2 ASP 12 -30.511 -1.781 3.552 84 HB3 ASP 12 HB1 ASP 12 -29.396 -2.985 4.178 85 H ASN 13 HN ASN 13 -27.457 0.971 5.393 86 HA ASN 13 HA ASN 13 -29.597 2.907 4.830 87 HB2 ASN 13 HB2 ASN 13 -29.253 3.968 7.000 88 HB3 ASN 13 HB1 ASN 13 -29.791 2.298 7.184 89 HD21 ASN 13 HD21 ASN 13 -28.332 4.068 9.045 90 HD22 ASN 13 HD22 ASN 13 -26.877 3.227 9.450 91 H ARG 14 HN ARG 14 -26.254 2.263 5.587 92 HA ARG 14 HA ARG 14 -25.492 4.397 3.783 93 HB2 ARG 14 HB2 ARG 14 -25.300 5.182 6.201 94 HB3 ARG 14 HB1 ARG 14 -24.045 3.961 6.391 95 HG2 ARG 14 HG2 ARG 14 -22.731 4.992 4.650 96 HG3 ARG 14 HG1 ARG 14 -23.985 6.197 4.386 97 HD2 ARG 14 HD2 ARG 14 -23.689 6.828 6.796 98 HD3 ARG 14 HD1 ARG 14 -22.244 5.810 6.776 99 HE ARG 14 HE ARG 14 -22.298 7.678 4.618 100 HH11 ARG 14 HH11 ARG 14 -21.475 7.347 8.022 101 HH12 ARG 14 HH12 ARG 14 -20.416 8.711 8.029 102 HH21 ARG 14 HH21 ARG 14 -20.935 9.458 4.623 103 HH22 ARG 14 HH22 ARG 14 -20.098 9.939 6.062 104 H TRP 15 HN TRP 15 -24.347 3.445 2.298 105 HA TRP 15 HA TRP 15 -23.008 0.961 3.057 106 HB2 TRP 15 HB2 TRP 15 -25.054 1.181 1.430 107 HB3 TRP 15 HB1 TRP 15 -23.788 1.550 0.253 108 HD1 TRP 15 HD1 TRP 15 -21.621 -0.460 0.545 109 HE1 TRP 15 HE1 TRP 15 -21.976 -3.008 0.515 110 HE3 TRP 15 HE3 TRP 15 -26.602 -0.614 1.681 111 HZ2 TRP 15 HZ2 TRP 15 -24.077 -4.838 0.909 112 HZ3 TRP 15 HZ3 TRP 15 -27.711 -2.800 1.830 113 HH2 TRP 15 HH2 TRP 15 -26.475 -4.872 1.451 114 H GLY 16 HN GLY 16 -20.862 0.800 2.670 115 HA2 GLY 16 HA2 GLY 16 -19.648 3.133 1.332 116 HA3 GLY 16 HA1 GLY 16 -18.998 2.436 2.800 117 H ILE 17 HN ILE 17 -18.173 2.842 -0.147 118 HA ILE 17 HA ILE 17 -17.108 0.137 -0.591 119 HB ILE 17 HB ILE 17 -17.038 2.531 -2.455 120 HG12 ILE 17 HG12 ILE 17 -19.350 1.751 -2.150 121 HG13 ILE 17 HG11 ILE 17 -18.775 1.371 -3.769 122 HG21 ILE 17 HG21 ILE 17 -16.390 0.878 -4.172 123 HG22 ILE 17 HG22 ILE 17 -16.307 -0.360 -2.920 124 HG23 ILE 17 HG23 ILE 17 -15.210 1.015 -2.871 125 HD11 ILE 17 HD11 ILE 17 -18.960 -0.567 -1.462 126 HD12 ILE 17 HD12 ILE 17 -18.402 -0.952 -3.088 127 HD13 ILE 17 HD13 ILE 17 -20.075 -0.464 -2.824 128 H ARG 18 HN ARG 18 -15.224 -0.118 0.385 129 HA ARG 18 HA ARG 18 -13.411 2.181 0.667 130 HB2 ARG 18 HB2 ARG 18 -14.029 1.488 2.801 131 HB3 ARG 18 HB1 ARG 18 -14.041 -0.202 2.355 132 HG2 ARG 18 HG2 ARG 18 -11.460 0.183 2.081 133 HG3 ARG 18 HG1 ARG 18 -11.773 1.528 3.186 134 HD2 ARG 18 HD2 ARG 18 -12.829 0.080 4.770 135 HD3 ARG 18 HD1 ARG 18 -12.729 -1.284 3.673 136 HE ARG 18 HE ARG 18 -10.858 -0.554 5.583 137 HH11 ARG 18 HH11 ARG 18 -10.512 -1.196 2.134 138 HH12 ARG 18 HH12 ARG 18 -9.202 -2.303 2.376 139 HH21 ARG 18 HH21 ARG 18 -9.222 -2.145 5.808 140 HH22 ARG 18 HH22 ARG 18 -8.442 -2.799 4.398 141 H HIS 19 HN HIS 19 -11.708 2.101 -0.643 142 HA HIS 19 HA HIS 19 -10.841 -0.377 -1.842 143 HB2 HIS 19 HB2 HIS 19 -10.640 1.641 -3.184 144 HB3 HIS 19 HB1 HIS 19 -9.702 2.439 -1.932 145 HD1 HIS 19 HD1 HIS 19 -7.270 2.518 -2.441 146 HD2 HIS 19 HD2 HIS 19 -9.115 -0.804 -4.150 147 HE1 HIS 19 HE1 HIS 19 -5.470 1.331 -3.723 148 H ASP 20 HN ASP 20 -9.089 -1.610 -1.259 149 HA ASP 20 HA ASP 20 -8.171 -1.200 1.429 150 HB2 ASP 20 HB2 ASP 20 -8.743 -3.440 0.308 151 HB3 ASP 20 HB1 ASP 20 -7.165 -3.323 -0.461 152 H ASP 21 HN ASP 21 -7.002 0.699 1.334 153 HA ASP 21 HA ASP 21 -4.609 0.787 -0.324 154 HB2 ASP 21 HB2 ASP 21 -4.340 3.066 0.520 155 HB3 ASP 21 HB1 ASP 21 -5.976 2.829 -0.082 156 H ASP 22 HN ASP 22 -5.502 -0.497 2.520 157 HA ASP 22 HA ASP 22 -2.758 -0.454 3.554 158 HB2 ASP 22 HB2 ASP 22 -4.282 0.672 5.137 159 HB3 ASP 22 HB1 ASP 22 -5.335 -0.739 5.137 160 HA PRO 23 HA PRO 23 -3.350 -4.390 1.391 161 HB2 PRO 23 HB2 PRO 23 -0.763 -4.713 2.849 162 HB3 PRO 23 HB1 PRO 23 -1.190 -5.188 1.197 163 HG2 PRO 23 HG2 PRO 23 0.194 -2.955 1.686 164 HG3 PRO 23 HG1 PRO 23 -1.013 -3.035 0.392 165 HD2 PRO 23 HD2 PRO 23 -1.123 -1.616 2.972 166 HD3 PRO 23 HD1 PRO 23 -2.031 -1.308 1.480 167 H THR 24 HN THR 24 -4.955 -5.520 2.374 168 HA THR 24 HA THR 24 -4.362 -6.912 4.851 169 HB THR 24 HB THR 24 -6.713 -7.839 4.448 170 HG1 THR 24 HG1 THR 24 -6.848 -5.735 2.516 171 HG21 THR 24 HG21 THR 24 -6.423 -4.836 4.635 172 HG22 THR 24 HG22 THR 24 -6.326 -5.969 5.982 173 HG23 THR 24 HG23 THR 24 -7.848 -5.757 5.113 174 H GLY 25 HN GLY 25 -4.706 -7.226 1.425 175 HA2 GLY 25 HA2 GLY 25 -3.787 -8.669 -0.082 176 HA3 GLY 25 HA1 GLY 25 -2.886 -9.380 1.236 177 H ASP 26 HN ASP 26 -5.038 -10.321 2.737 178 HA ASP 26 HA ASP 26 -5.460 -12.742 1.246 179 HB2 ASP 26 HB2 ASP 26 -5.981 -11.932 4.062 180 HB3 ASP 26 HB1 ASP 26 -6.437 -13.524 3.423 181 H TYR 27 HN TYR 27 -7.089 -12.912 -0.049 182 HA TYR 27 HA TYR 27 -9.731 -12.725 1.054 183 HB2 TYR 27 HB2 TYR 27 -9.262 -10.465 -0.023 184 HB3 TYR 27 HB1 TYR 27 -9.177 -11.323 -1.562 185 HD1 TYR 27 HD1 TYR 27 -11.477 -11.421 1.392 186 HD2 TYR 27 HD2 TYR 27 -11.082 -11.029 -2.818 187 HE1 TYR 27 HE1 TYR 27 -13.918 -11.253 1.189 188 HE2 TYR 27 HE2 TYR 27 -13.517 -10.851 -3.037 189 HH TYR 27 HH TYR 27 -15.543 -11.498 -1.785 190 H SER 28 HN SER 28 -11.294 -13.893 -0.375 191 HA SER 28 HA SER 28 -10.167 -16.334 -1.086 192 HB2 SER 28 HB2 SER 28 -12.867 -15.255 -1.920 193 HB3 SER 28 HB1 SER 28 -12.400 -16.955 -1.799 194 HG SER 28 HG SER 28 -13.224 -16.715 0.144 195 H SER 29 HN SER 29 -11.298 -13.640 -3.149 196 HA SER 29 HA SER 29 -9.466 -14.290 -5.212 197 HB2 SER 29 HB2 SER 29 -11.192 -14.745 -6.984 198 HB3 SER 29 HB1 SER 29 -11.042 -16.024 -5.783 199 HG SER 29 HG SER 29 -13.176 -15.697 -5.942 200 H LYS 30 HN LYS 30 -9.516 -12.742 -6.972 201 HA LYS 30 HA LYS 30 -10.085 -10.105 -6.097 202 HB2 LYS 30 HB2 LYS 30 -8.285 -10.683 -7.680 203 HB3 LYS 30 HB1 LYS 30 -9.502 -11.066 -8.893 204 HG2 LYS 30 HG2 LYS 30 -10.290 -8.791 -8.871 205 HG3 LYS 30 HG1 LYS 30 -9.148 -8.381 -7.594 206 HD2 LYS 30 HD2 LYS 30 -8.258 -7.626 -9.683 207 HD3 LYS 30 HD1 LYS 30 -7.299 -8.999 -9.132 208 HE2 LYS 30 HE2 LYS 30 -8.444 -10.474 -10.647 209 HE3 LYS 30 HE1 LYS 30 -9.556 -9.188 -11.118 210 HZ1 LYS 30 HZ1 LYS 30 -7.702 -7.981 -12.047 211 HZ2 LYS 30 HZ2 LYS 30 -7.817 -9.515 -12.747 212 HZ3 LYS 30 HZ3 LYS 30 -6.628 -9.205 -11.590 213 H GLU 31 HN GLU 31 -11.805 -12.297 -8.309 214 HA GLU 31 HA GLU 31 -13.629 -10.360 -9.246 215 HB2 GLU 31 HB2 GLU 31 -14.917 -12.161 -10.140 216 HB3 GLU 31 HB1 GLU 31 -13.215 -12.549 -10.378 217 HG2 GLU 31 HG2 GLU 31 -13.331 -14.026 -8.396 218 HG3 GLU 31 HG1 GLU 31 -15.047 -13.643 -8.264 219 H ALA 32 HN ALA 32 -13.647 -12.510 -6.468 220 HA ALA 32 HA ALA 32 -16.340 -12.195 -5.759 221 HB1 ALA 32 HB1 ALA 32 -13.959 -12.637 -3.980 222 HB2 ALA 32 HB2 ALA 32 -14.941 -13.891 -4.747 223 HB3 ALA 32 HB3 ALA 32 -15.641 -12.840 -3.510 224 H ALA 33 HN ALA 33 -13.547 -10.172 -5.259 225 HA ALA 33 HA ALA 33 -14.767 -8.463 -3.341 226 HB1 ALA 33 HB1 ALA 33 -12.891 -6.964 -3.768 227 HB2 ALA 33 HB2 ALA 33 -12.442 -7.912 -5.185 228 HB3 ALA 33 HB3 ALA 33 -12.329 -8.625 -3.576 229 H PHE 34 HN PHE 34 -14.065 -8.057 -6.819 230 HA PHE 34 HA PHE 34 -15.471 -5.616 -7.043 231 HB2 PHE 34 HB2 PHE 34 -14.657 -7.619 -9.139 232 HB3 PHE 34 HB1 PHE 34 -15.398 -6.064 -9.515 233 HD1 PHE 34 HD1 PHE 34 -12.405 -7.799 -8.991 234 HD2 PHE 34 HD2 PHE 34 -14.240 -4.001 -8.473 235 HE1 PHE 34 HE1 PHE 34 -10.183 -6.766 -8.860 236 HE2 PHE 34 HE2 PHE 34 -11.998 -2.950 -8.343 237 HZ PHE 34 HZ PHE 34 -9.970 -4.364 -8.533 238 H GLU 35 HN GLU 35 -16.435 -8.934 -7.678 239 HA GLU 35 HA GLU 35 -18.899 -8.466 -8.834 240 HB2 GLU 35 HB2 GLU 35 -17.833 -10.654 -8.799 241 HB3 GLU 35 HB1 GLU 35 -18.036 -10.741 -7.060 242 HG2 GLU 35 HG2 GLU 35 -20.446 -10.737 -7.320 243 HG3 GLU 35 HG1 GLU 35 -20.263 -10.607 -9.066 244 H ALA 36 HN ALA 36 -18.146 -9.148 -5.430 245 HA ALA 36 HA ALA 36 -20.799 -8.704 -4.562 246 HB1 ALA 36 HB1 ALA 36 -19.229 -10.053 -3.292 247 HB2 ALA 36 HB2 ALA 36 -19.931 -8.758 -2.319 248 HB3 ALA 36 HB3 ALA 36 -18.280 -8.608 -2.931 249 H ALA 37 HN ALA 37 -17.942 -6.626 -4.692 250 HA ALA 37 HA ALA 37 -19.001 -4.485 -3.243 251 HB1 ALA 37 HB1 ALA 37 -16.969 -4.291 -5.459 252 HB2 ALA 37 HB2 ALA 37 -16.615 -4.784 -3.803 253 HB3 ALA 37 HB3 ALA 37 -17.220 -3.156 -4.124 254 H CYS 38 HN CYS 38 -19.012 -5.027 -6.787 255 HA CYS 38 HA CYS 38 -20.422 -2.646 -7.306 256 HB2 CYS 38 HB2 CYS 38 -20.917 -3.573 -9.527 257 HB3 CYS 38 HB1 CYS 38 -19.217 -3.735 -9.105 258 HG CYS 38 HG CYS 38 -19.279 -6.432 -8.660 259 H ALA 39 HN ALA 39 -21.450 -5.960 -6.630 260 HA ALA 39 HA ALA 39 -24.191 -5.675 -7.149 261 HB1 ALA 39 HB1 ALA 39 -22.853 -7.470 -5.129 262 HB2 ALA 39 HB2 ALA 39 -23.115 -7.853 -6.830 263 HB3 ALA 39 HB3 ALA 39 -24.492 -7.653 -5.750 264 H ALA 40 HN ALA 40 -22.298 -5.200 -4.238 265 HA ALA 40 HA ALA 40 -24.411 -4.457 -2.527 266 HB1 ALA 40 HB1 ALA 40 -21.515 -3.630 -2.413 267 HB2 ALA 40 HB2 ALA 40 -22.189 -5.109 -1.731 268 HB3 ALA 40 HB3 ALA 40 -22.679 -3.541 -1.093 269 H ALA 41 HN ALA 41 -22.277 -2.507 -4.582 270 HA ALA 41 HA ALA 41 -23.297 0.009 -3.765 271 HB1 ALA 41 HB1 ALA 41 -22.164 0.913 -5.716 272 HB2 ALA 41 HB2 ALA 41 -21.983 -0.708 -6.385 273 HB3 ALA 41 HB3 ALA 41 -21.127 -0.264 -4.907 274 H SER 42 HN SER 42 -24.186 -2.119 -6.451 275 HA SER 42 HA SER 42 -26.056 -0.337 -7.508 276 HB2 SER 42 HB2 SER 42 -27.073 -2.403 -8.565 277 HB3 SER 42 HB1 SER 42 -25.374 -2.102 -8.925 278 HG SER 42 HG SER 42 -24.783 -3.721 -7.586 279 H ASN 43 HN ASN 43 -26.342 -2.905 -5.089 280 HA ASN 43 HA ASN 43 -29.124 -2.780 -4.678 281 HB2 ASN 43 HB2 ASN 43 -27.788 -4.607 -3.761 282 HB3 ASN 43 HB1 ASN 43 -26.893 -3.483 -2.744 283 HD21 ASN 43 HD21 ASN 43 -27.443 -4.543 -0.858 284 HD22 ASN 43 HD22 ASN 43 -29.029 -4.498 -0.180 285 H ALA 44 HN ALA 44 -26.453 -1.028 -3.178 286 HA ALA 44 HA ALA 44 -27.942 0.378 -1.276 287 HB1 ALA 44 HB1 ALA 44 -25.518 0.101 -1.185 288 HB2 ALA 44 HB2 ALA 44 -25.991 1.795 -1.050 289 HB3 ALA 44 HB3 ALA 44 -25.344 1.177 -2.571 290 H ILE 45 HN ILE 45 -26.835 1.367 -4.528 291 HA ILE 45 HA ILE 45 -27.904 3.980 -4.321 292 HB ILE 45 HB ILE 45 -26.083 3.377 -5.924 293 HG12 ILE 45 HG12 ILE 45 -28.486 4.631 -7.275 294 HG13 ILE 45 HG11 ILE 45 -27.460 5.465 -6.113 295 HG21 ILE 45 HG21 ILE 45 -26.980 1.283 -6.763 296 HG22 ILE 45 HG22 ILE 45 -26.679 2.400 -8.096 297 HG23 ILE 45 HG23 ILE 45 -28.323 2.139 -7.515 298 HD11 ILE 45 HD11 ILE 45 -26.886 6.055 -8.395 299 HD12 ILE 45 HD12 ILE 45 -26.576 4.360 -8.769 300 HD13 ILE 45 HD13 ILE 45 -25.554 5.209 -7.609 301 H LYS 46 HN LYS 46 -29.223 0.968 -5.505 302 HA LYS 46 HA LYS 46 -31.461 2.022 -6.836 303 HB2 LYS 46 HB2 LYS 46 -31.073 -0.630 -5.470 304 HB3 LYS 46 HB1 LYS 46 -32.543 -0.221 -6.341 305 HG2 LYS 46 HG2 LYS 46 -31.293 0.033 -8.395 306 HG3 LYS 46 HG1 LYS 46 -29.777 -0.263 -7.537 307 HD2 LYS 46 HD2 LYS 46 -30.425 -2.284 -8.648 308 HD3 LYS 46 HD1 LYS 46 -30.660 -2.508 -6.915 309 HE2 LYS 46 HE2 LYS 46 -33.038 -2.102 -7.160 310 HE3 LYS 46 HE1 LYS 46 -32.828 -1.781 -8.880 311 HZ1 LYS 46 HZ1 LYS 46 -32.357 -4.365 -7.497 312 HZ2 LYS 46 HZ2 LYS 46 -32.041 -4.080 -9.130 313 HZ3 LYS 46 HZ3 LYS 46 -33.627 -4.005 -8.551 314 H PHE 47 HN PHE 47 -30.980 1.233 -3.432 315 HA PHE 47 HA PHE 47 -33.747 1.884 -2.836 316 HB2 PHE 47 HB2 PHE 47 -32.174 0.025 -1.776 317 HB3 PHE 47 HB1 PHE 47 -31.789 1.335 -0.673 318 HD1 PHE 47 HD1 PHE 47 -34.472 -0.835 -1.930 319 HD2 PHE 47 HD2 PHE 47 -33.409 2.116 0.949 320 HE1 PHE 47 HE1 PHE 47 -36.539 -1.306 -0.689 321 HE2 PHE 47 HE2 PHE 47 -35.480 1.644 2.192 322 HZ PHE 47 HZ PHE 47 -37.044 -0.066 1.373 323 H GLY 48 HN GLY 48 -31.077 3.693 -3.354 324 HA2 GLY 48 HA2 GLY 48 -30.728 5.965 -2.969 325 HA3 GLY 48 HA1 GLY 48 -32.199 5.986 -2.006 326 H HIS 49 HN HIS 49 -29.851 3.636 -1.243 327 HA HIS 49 HA HIS 49 -29.472 4.650 1.373 328 HB2 HIS 49 HB2 HIS 49 -27.930 2.594 -0.208 329 HB3 HIS 49 HB1 HIS 49 -27.651 2.930 1.499 330 HD2 HIS 49 HD2 HIS 49 -31.028 3.018 2.092 331 HE1 HIS 49 HE1 HIS 49 -30.620 -1.087 1.126 332 HE2 HIS 49 HE2 HIS 49 -31.881 0.622 2.473 333 H GLU 50 HN GLU 50 -27.732 5.735 2.237 334 HA GLU 50 HA GLU 50 -26.360 7.560 0.607 335 HB2 GLU 50 HB2 GLU 50 -26.886 7.553 3.117 336 HB3 GLU 50 HB1 GLU 50 -25.424 6.604 3.299 337 HG2 GLU 50 HG2 GLU 50 -25.560 9.389 2.121 338 HG3 GLU 50 HG1 GLU 50 -25.089 9.016 3.771 339 H VAL 51 HN VAL 51 -24.968 6.919 -0.924 340 HA VAL 51 HA VAL 51 -23.332 4.531 -0.470 341 HB VAL 51 HB VAL 51 -23.830 6.025 -3.056 342 HG11 VAL 51 HG11 VAL 51 -22.839 4.055 -4.137 343 HG12 VAL 51 HG12 VAL 51 -22.503 3.360 -2.555 344 HG13 VAL 51 HG13 VAL 51 -21.697 4.845 -3.053 345 HG21 VAL 51 HG21 VAL 51 -25.864 4.971 -2.234 346 HG22 VAL 51 HG22 VAL 51 -25.015 3.436 -2.064 347 HG23 VAL 51 HG23 VAL 51 -25.261 4.134 -3.665 348 H ARG 52 HN ARG 52 -21.466 5.012 0.421 349 HA ARG 52 HA ARG 52 -20.105 7.386 -0.595 350 HB2 ARG 52 HB2 ARG 52 -20.627 7.386 1.829 351 HB3 ARG 52 HB1 ARG 52 -19.593 5.971 2.015 352 HG2 ARG 52 HG2 ARG 52 -18.513 8.138 2.616 353 HG3 ARG 52 HG1 ARG 52 -17.666 7.200 1.378 354 HD2 ARG 52 HD2 ARG 52 -17.841 9.658 0.897 355 HD3 ARG 52 HD1 ARG 52 -18.490 8.608 -0.359 356 HE ARG 52 HE ARG 52 -20.187 9.937 1.625 357 HH11 ARG 52 HH11 ARG 52 -19.549 8.975 -1.709 358 HH12 ARG 52 HH12 ARG 52 -20.896 9.819 -2.358 359 HH21 ARG 52 HH21 ARG 52 -22.035 11.032 0.714 360 HH22 ARG 52 HH22 ARG 52 -22.305 10.982 -0.988 361 H ILE 53 HN ILE 53 -18.486 7.054 -1.885 362 HA ILE 53 HA ILE 53 -17.151 4.465 -1.839 363 HB ILE 53 HB ILE 53 -17.243 6.560 -4.031 364 HG12 ILE 53 HG12 ILE 53 -18.560 3.837 -3.959 365 HG13 ILE 53 HG11 ILE 53 -19.394 5.343 -3.584 366 HG21 ILE 53 HG21 ILE 53 -16.089 3.764 -4.036 367 HG22 ILE 53 HG22 ILE 53 -15.163 5.264 -4.044 368 HG23 ILE 53 HG23 ILE 53 -16.172 4.846 -5.427 369 HD11 ILE 53 HD11 ILE 53 -18.112 4.640 -6.210 370 HD12 ILE 53 HD12 ILE 53 -18.955 6.144 -5.837 371 HD13 ILE 53 HD13 ILE 53 -19.838 4.615 -5.851 372 H THR 54 HN THR 54 -15.376 4.574 -0.707 373 HA THR 54 HA THR 54 -13.870 7.078 -0.762 374 HB THR 54 HB THR 54 -13.714 5.106 1.502 375 HG1 THR 54 HG1 THR 54 -15.567 5.820 2.332 376 HG21 THR 54 HG21 THR 54 -12.103 7.001 1.341 377 HG22 THR 54 HG22 THR 54 -13.135 7.089 2.774 378 HG23 THR 54 HG23 THR 54 -13.480 8.109 1.377 379 H VAL 55 HN VAL 55 -12.423 6.607 -2.302 380 HA VAL 55 HA VAL 55 -10.899 4.118 -2.046 381 HB VAL 55 HB VAL 55 -12.023 4.119 -4.142 382 HG11 VAL 55 HG11 VAL 55 -11.798 5.898 -5.818 383 HG12 VAL 55 HG12 VAL 55 -10.880 6.858 -4.656 384 HG13 VAL 55 HG13 VAL 55 -12.568 6.466 -4.337 385 HG21 VAL 55 HG21 VAL 55 -10.185 4.059 -5.767 386 HG22 VAL 55 HG22 VAL 55 -9.727 3.292 -4.246 387 HG23 VAL 55 HG23 VAL 55 -9.150 4.916 -4.624 388 HA PRO 56 HA PRO 56 -7.606 7.151 -1.019 389 HB2 PRO 56 HB2 PRO 56 -6.702 5.078 0.826 390 HB3 PRO 56 HB1 PRO 56 -7.237 6.720 1.191 391 HG2 PRO 56 HG2 PRO 56 -8.674 4.531 1.896 392 HG3 PRO 56 HG1 PRO 56 -9.431 6.085 1.491 393 HD2 PRO 56 HD2 PRO 56 -9.077 3.646 -0.225 394 HD3 PRO 56 HD1 PRO 56 -10.515 4.671 -0.012 395 H GLY 57 HN GLY 57 -5.265 6.874 -1.327 396 HA2 GLY 57 HA2 GLY 57 -3.904 4.602 -1.954 397 HA3 GLY 57 HA1 GLY 57 -4.727 5.024 -3.448 398 H ASN 58 HN ASN 58 -3.011 6.773 -0.897 399 HA ASN 58 HA ASN 58 -1.030 7.703 -2.754 400 HB2 ASN 58 HB2 ASN 58 -1.433 10.121 -2.351 401 HB3 ASN 58 HB1 ASN 58 -2.752 9.364 -3.228 402 HD21 ASN 58 HD21 ASN 58 -4.751 9.204 -2.269 403 HD22 ASN 58 HD22 ASN 58 -5.155 10.020 -0.797 404 H ASP 59 HN ASP 59 0.811 7.832 -1.761 405 HA ASP 59 HA ASP 59 0.923 7.538 1.102 406 HB2 ASP 59 HB2 ASP 59 3.322 7.236 0.817 407 HB3 ASP 59 HB1 ASP 59 2.463 6.254 -0.362 408 H GLY 60 HN GLY 60 1.510 9.053 2.571 409 HA2 GLY 60 HA2 GLY 60 2.772 11.134 2.994 410 HA3 GLY 60 HA1 GLY 60 2.082 11.745 1.496 411 H SER 61 HN SER 61 -0.468 10.197 2.475 412 HA SER 61 HA SER 61 -1.740 12.462 3.641 413 HB2 SER 61 HB2 SER 61 -3.027 10.906 2.259 414 HB3 SER 61 HB1 SER 61 -2.673 9.584 3.371 415 HG SER 61 HG SER 61 -3.954 10.519 4.895 416 H GLU 62 HN GLU 62 -0.970 13.067 5.561 417 HA GLU 62 HA GLU 62 -0.495 13.128 7.757 418 HB2 GLU 62 HB2 GLU 62 -2.068 10.546 7.829 419 HB3 GLU 62 HB1 GLU 62 -1.437 11.340 9.266 420 HG2 GLU 62 HG2 GLU 62 -2.790 13.305 8.786 421 HG3 GLU 62 HG1 GLU 62 -3.401 12.536 7.323 422 H THR 63 HN THR 63 -0.239 9.664 7.000 423 HA THR 63 HA THR 63 2.455 9.666 8.119 424 HB THR 63 HB THR 63 0.970 7.918 8.956 425 HG1 THR 63 HG1 THR 63 2.548 6.501 8.916 426 HG21 THR 63 HG21 THR 63 0.171 6.118 7.471 427 HG22 THR 63 HG22 THR 63 0.806 6.998 6.080 428 HG23 THR 63 HG23 THR 63 -0.515 7.681 7.028 429 H ASN 64 HN ASN 64 4.249 9.145 6.944 430 HA ASN 64 HA ASN 64 3.890 9.077 4.032 431 HB2 ASN 64 HB2 ASN 64 6.100 10.088 3.831 432 HB3 ASN 64 HB1 ASN 64 5.078 11.084 4.855 433 HD21 ASN 64 HD21 ASN 64 7.944 11.022 4.695 434 HD22 ASN 64 HD22 ASN 64 8.537 10.598 6.261 435 H LEU 65 HN LEU 65 3.954 6.798 6.008 436 HA LEU 65 HA LEU 65 6.403 5.412 5.781 437 HB2 LEU 65 HB2 LEU 65 3.615 4.316 6.156 438 HB3 LEU 65 HB1 LEU 65 5.087 3.393 6.358 439 HG LEU 65 HG LEU 65 4.247 5.750 8.040 440 HD11 LEU 65 HD11 LEU 65 4.318 2.800 8.643 441 HD12 LEU 65 HD12 LEU 65 2.870 3.784 8.419 442 HD13 LEU 65 HD13 LEU 65 3.933 4.077 9.795 443 HD21 LEU 65 HD21 LEU 65 6.671 5.602 7.861 444 HD22 LEU 65 HD22 LEU 65 6.610 3.889 8.285 445 HD23 LEU 65 HD23 LEU 65 6.140 5.108 9.469 446 H GLY 66 HN GLY 66 7.181 3.968 4.337 447 HA2 GLY 66 HA2 GLY 66 6.317 4.173 1.656 448 HA3 GLY 66 HA1 GLY 66 7.533 3.070 2.272 449 H VAL 67 HN VAL 67 4.582 3.284 0.842 450 HA VAL 67 HA VAL 67 3.524 0.814 1.942 451 HB VAL 67 HB VAL 67 1.668 1.224 0.203 452 HG11 VAL 67 HG11 VAL 67 1.390 1.635 2.603 453 HG12 VAL 67 HG12 VAL 67 0.572 2.882 1.663 454 HG13 VAL 67 HG13 VAL 67 2.125 3.229 2.427 455 HG21 VAL 67 HG21 VAL 67 2.888 2.812 -1.203 456 HG22 VAL 67 HG22 VAL 67 3.000 3.943 0.146 457 HG23 VAL 67 HG23 VAL 67 1.429 3.551 -0.550 458 H ILE 68 HN ILE 68 3.965 -1.091 1.130 459 HA ILE 68 HA ILE 68 5.146 -1.260 -1.509 460 HB ILE 68 HB ILE 68 6.280 -2.540 0.212 461 HG12 ILE 68 HG12 ILE 68 6.239 -4.807 -0.798 462 HG13 ILE 68 HG11 ILE 68 4.781 -4.364 -1.678 463 HG21 ILE 68 HG21 ILE 68 5.208 -4.429 1.371 464 HG22 ILE 68 HG22 ILE 68 3.661 -3.964 0.661 465 HG23 ILE 68 HG23 ILE 68 4.478 -2.878 1.783 466 HD11 ILE 68 HD11 ILE 68 7.491 -3.082 -1.986 467 HD12 ILE 68 HD12 ILE 68 6.036 -2.634 -2.872 468 HD13 ILE 68 HD13 ILE 68 6.746 -4.234 -3.092 469 H THR 69 HN THR 69 3.976 -1.644 -3.230 470 HA THR 69 HA THR 69 1.277 -2.700 -2.896 471 HB THR 69 HB THR 69 0.866 -1.806 -5.151 472 HG1 THR 69 HG1 THR 69 3.207 -2.063 -5.728 473 HG21 THR 69 HG21 THR 69 0.505 -0.320 -3.242 474 HG22 THR 69 HG22 THR 69 1.082 0.588 -4.640 475 HG23 THR 69 HG23 THR 69 2.189 0.201 -3.325 476 H ASN 70 HN ASN 70 1.030 -4.825 -3.274 477 HA ASN 70 HA ASN 70 2.445 -6.059 -5.490 478 HB2 ASN 70 HB2 ASN 70 3.181 -7.987 -4.026 479 HB3 ASN 70 HB1 ASN 70 4.046 -6.480 -3.761 480 HD21 ASN 70 HD21 ASN 70 1.842 -8.780 -2.432 481 HD22 ASN 70 HD22 ASN 70 1.837 -8.175 -0.807 Start of MODEL 8 1 H MET 1 HT1 MET 1 1.148 -1.807 -2.696 2 HA MET 1 HA MET 1 -0.755 -3.215 -3.098 3 HB2 MET 1 HB2 MET 1 -0.235 -1.182 -5.281 4 HB3 MET 1 HB1 MET 1 -1.803 -1.904 -4.964 5 HG2 MET 1 HG2 MET 1 -1.755 -0.933 -2.697 6 HG3 MET 1 HG1 MET 1 -0.225 -0.149 -3.097 7 HE1 MET 1 HE1 MET 1 -0.508 0.887 -6.010 8 HE2 MET 1 HE2 MET 1 0.045 1.894 -4.673 9 HE3 MET 1 HE3 MET 1 -1.215 2.481 -5.758 10 H GLY 2 HN GLY 2 -0.628 -5.329 -3.659 11 HA2 GLY 2 HA2 GLY 2 0.249 -6.009 -6.367 12 HA3 GLY 2 HA1 GLY 2 -0.026 -7.139 -5.046 13 H LYS 3 HN LYS 3 -2.213 -7.614 -4.440 14 HA LYS 3 HA LYS 3 -3.922 -7.935 -6.701 15 HB2 LYS 3 HB2 LYS 3 -4.487 -8.370 -3.762 16 HB3 LYS 3 HB1 LYS 3 -5.522 -8.892 -5.079 17 HG2 LYS 3 HG2 LYS 3 -3.731 -10.379 -5.870 18 HG3 LYS 3 HG1 LYS 3 -2.735 -9.872 -4.500 19 HD2 LYS 3 HD2 LYS 3 -4.461 -10.701 -2.962 20 HD3 LYS 3 HD1 LYS 3 -5.419 -11.247 -4.337 21 HE2 LYS 3 HE2 LYS 3 -4.294 -13.165 -3.589 22 HE3 LYS 3 HE1 LYS 3 -3.373 -12.627 -4.990 23 HZ1 LYS 3 HZ1 LYS 3 -2.673 -11.963 -2.182 24 HZ2 LYS 3 HZ2 LYS 3 -1.735 -11.670 -3.571 25 HZ3 LYS 3 HZ3 LYS 3 -2.005 -13.256 -3.052 26 H ALA 4 HN ALA 4 -5.798 -6.856 -7.216 27 HA ALA 4 HA ALA 4 -6.189 -4.282 -5.934 28 HB1 ALA 4 HB1 ALA 4 -7.588 -5.470 -8.333 29 HB2 ALA 4 HB2 ALA 4 -6.177 -4.413 -8.393 30 HB3 ALA 4 HB3 ALA 4 -7.710 -3.801 -7.774 31 H TYR 5 HN TYR 5 -7.053 -4.858 -3.955 32 HA TYR 5 HA TYR 5 -9.663 -6.197 -4.059 33 HB2 TYR 5 HB2 TYR 5 -8.000 -7.467 -2.806 34 HB3 TYR 5 HB1 TYR 5 -7.704 -6.082 -1.766 35 HD1 TYR 5 HD1 TYR 5 -10.419 -8.420 -2.814 36 HD2 TYR 5 HD2 TYR 5 -8.931 -5.829 0.216 37 HE1 TYR 5 HE1 TYR 5 -12.177 -9.203 -1.291 38 HE2 TYR 5 HE2 TYR 5 -10.693 -6.606 1.746 39 HH TYR 5 HH TYR 5 -12.521 -9.368 1.163 40 H TYR 6 HN TYR 6 -11.384 -5.228 -3.294 41 HA TYR 6 HA TYR 6 -11.036 -2.661 -1.924 42 HB2 TYR 6 HB2 TYR 6 -13.230 -3.587 -3.789 43 HB3 TYR 6 HB1 TYR 6 -13.315 -2.114 -2.832 44 HD1 TYR 6 HD1 TYR 6 -11.569 -3.782 -5.622 45 HD2 TYR 6 HD2 TYR 6 -12.128 -0.153 -3.482 46 HE1 TYR 6 HE1 TYR 6 -10.398 -2.559 -7.406 47 HE2 TYR 6 HE2 TYR 6 -10.964 1.079 -5.255 48 HH TYR 6 HH TYR 6 -10.296 -0.237 -8.285 49 H ASP 7 HN ASP 7 -11.887 -2.494 0.033 50 HA ASP 7 HA ASP 7 -13.335 -4.767 1.092 51 HB2 ASP 7 HB2 ASP 7 -11.449 -3.859 2.392 52 HB3 ASP 7 HB1 ASP 7 -12.272 -2.307 2.487 53 H ILE 8 HN ILE 8 -15.477 -4.756 1.079 54 HA ILE 8 HA ILE 8 -16.832 -2.160 0.813 55 HB ILE 8 HB ILE 8 -18.106 -4.809 0.290 56 HG12 ILE 8 HG12 ILE 8 -17.707 -4.006 -2.213 57 HG13 ILE 8 HG11 ILE 8 -16.294 -3.251 -1.485 58 HG21 ILE 8 HG21 ILE 8 -19.661 -3.054 0.580 59 HG22 ILE 8 HG22 ILE 8 -19.623 -3.482 -1.130 60 HG23 ILE 8 HG23 ILE 8 -18.799 -2.032 -0.564 61 HD11 ILE 8 HD11 ILE 8 -15.561 -5.436 -0.665 62 HD12 ILE 8 HD12 ILE 8 -15.747 -5.421 -2.418 63 HD13 ILE 8 HD13 ILE 8 -16.977 -6.182 -1.408 64 H VAL 9 HN VAL 9 -18.178 -1.520 2.303 65 HA VAL 9 HA VAL 9 -18.787 -3.381 4.480 66 HB VAL 9 HB VAL 9 -19.400 -1.350 5.820 67 HG11 VAL 9 HG11 VAL 9 -17.220 -2.363 6.084 68 HG12 VAL 9 HG12 VAL 9 -17.086 -0.611 6.215 69 HG13 VAL 9 HG13 VAL 9 -16.589 -1.424 4.732 70 HG21 VAL 9 HG21 VAL 9 -18.651 0.855 5.044 71 HG22 VAL 9 HG22 VAL 9 -19.890 0.185 3.982 72 HG23 VAL 9 HG23 VAL 9 -18.197 0.153 3.491 73 H GLY 10 HN GLY 10 -20.821 -3.999 4.823 74 HA2 GLY 10 HA2 GLY 10 -22.786 -2.889 2.940 75 HA3 GLY 10 HA1 GLY 10 -22.745 -4.567 3.458 76 H SER 11 HN SER 11 -24.163 -1.651 3.859 77 HA SER 11 HA SER 11 -25.717 -2.656 6.054 78 HB2 SER 11 HB2 SER 11 -24.262 -0.001 6.226 79 HB3 SER 11 HB1 SER 11 -25.495 -0.558 7.359 80 HG SER 11 HG SER 11 -23.728 -2.497 7.155 81 H ASP 12 HN ASP 12 -27.797 -1.906 5.951 82 HA ASP 12 HA ASP 12 -28.585 -0.824 3.456 83 HB2 ASP 12 HB2 ASP 12 -30.884 -0.994 4.271 84 HB3 ASP 12 HB1 ASP 12 -29.982 -2.474 4.553 85 H ASN 13 HN ASN 13 -27.391 0.790 6.067 86 HA ASN 13 HA ASN 13 -28.997 3.167 5.375 87 HB2 ASN 13 HB2 ASN 13 -27.189 2.617 7.708 88 HB3 ASN 13 HB1 ASN 13 -27.948 4.173 7.401 89 HD21 ASN 13 HD21 ASN 13 -30.420 2.916 6.432 90 HD22 ASN 13 HD22 ASN 13 -31.231 2.329 7.840 91 H ARG 14 HN ARG 14 -25.772 1.835 5.509 92 HA ARG 14 HA ARG 14 -24.861 4.011 3.822 93 HB2 ARG 14 HB2 ARG 14 -24.366 4.326 6.361 94 HB3 ARG 14 HB1 ARG 14 -23.122 3.116 6.075 95 HG2 ARG 14 HG2 ARG 14 -22.176 4.549 4.320 96 HG3 ARG 14 HG1 ARG 14 -23.383 5.779 4.706 97 HD2 ARG 14 HD2 ARG 14 -22.525 5.657 7.079 98 HD3 ARG 14 HD1 ARG 14 -21.184 4.715 6.424 99 HE ARG 14 HE ARG 14 -21.644 7.242 5.104 100 HH11 ARG 14 HH11 ARG 14 -19.889 5.569 7.653 101 HH12 ARG 14 HH12 ARG 14 -18.737 6.845 7.864 102 HH21 ARG 14 HH21 ARG 14 -20.134 8.915 5.389 103 HH22 ARG 14 HH22 ARG 14 -18.863 8.749 6.552 104 H TRP 15 HN TRP 15 -23.809 3.183 2.159 105 HA TRP 15 HA TRP 15 -22.581 0.526 2.463 106 HB2 TRP 15 HB2 TRP 15 -24.572 0.441 1.105 107 HB3 TRP 15 HB1 TRP 15 -24.002 1.767 0.109 108 HD1 TRP 15 HD1 TRP 15 -23.364 -1.964 0.749 109 HE1 TRP 15 HE1 TRP 15 -22.004 -2.921 -1.216 110 HE3 TRP 15 HE3 TRP 15 -22.385 2.376 -1.746 111 HZ2 TRP 15 HZ2 TRP 15 -20.698 -1.959 -3.519 112 HZ3 TRP 15 HZ3 TRP 15 -21.071 2.276 -3.825 113 HH2 TRP 15 HH2 TRP 15 -20.249 0.152 -4.691 114 H GLY 16 HN GLY 16 -20.449 0.300 1.784 115 HA2 GLY 16 HA2 GLY 16 -19.238 2.673 0.552 116 HA3 GLY 16 HA1 GLY 16 -18.667 2.159 2.126 117 H ILE 17 HN ILE 17 -17.356 2.518 -0.436 118 HA ILE 17 HA ILE 17 -16.166 -0.170 -0.751 119 HB ILE 17 HB ILE 17 -16.126 2.179 -2.682 120 HG12 ILE 17 HG12 ILE 17 -18.325 1.037 -2.569 121 HG13 ILE 17 HG11 ILE 17 -17.537 0.792 -4.130 122 HG21 ILE 17 HG21 ILE 17 -14.070 0.920 -2.829 123 HG22 ILE 17 HG22 ILE 17 -15.063 0.589 -4.248 124 HG23 ILE 17 HG23 ILE 17 -14.962 -0.595 -2.945 125 HD11 ILE 17 HD11 ILE 17 -17.564 -1.193 -1.868 126 HD12 ILE 17 HD12 ILE 17 -16.882 -1.447 -3.472 127 HD13 ILE 17 HD13 ILE 17 -18.622 -1.234 -3.273 128 H ARG 18 HN ARG 18 -14.261 -0.289 0.312 129 HA ARG 18 HA ARG 18 -12.622 2.157 0.489 130 HB2 ARG 18 HB2 ARG 18 -13.391 1.359 2.679 131 HB3 ARG 18 HB1 ARG 18 -12.683 -0.216 2.355 132 HG2 ARG 18 HG2 ARG 18 -10.459 0.868 2.197 133 HG3 ARG 18 HG1 ARG 18 -11.214 2.388 2.677 134 HD2 ARG 18 HD2 ARG 18 -10.212 1.331 4.602 135 HD3 ARG 18 HD1 ARG 18 -11.969 1.321 4.760 136 HE ARG 18 HE ARG 18 -11.932 -0.964 4.694 137 HH11 ARG 18 HH11 ARG 18 -8.847 0.177 3.463 138 HH12 ARG 18 HH12 ARG 18 -8.142 -1.413 3.491 139 HH21 ARG 18 HH21 ARG 18 -10.940 -3.020 4.778 140 HH22 ARG 18 HH22 ARG 18 -9.304 -3.189 4.227 141 H HIS 19 HN HIS 19 -10.849 2.083 -0.752 142 HA HIS 19 HA HIS 19 -9.828 -0.486 -1.637 143 HB2 HIS 19 HB2 HIS 19 -9.848 1.400 -3.224 144 HB3 HIS 19 HB1 HIS 19 -8.782 2.309 -2.162 145 HD1 HIS 19 HD1 HIS 19 -6.348 2.130 -2.713 146 HD2 HIS 19 HD2 HIS 19 -8.518 -1.095 -4.194 147 HE1 HIS 19 HE1 HIS 19 -4.712 0.775 -4.038 148 H ASP 20 HN ASP 20 -8.482 -1.656 -0.483 149 HA ASP 20 HA ASP 20 -7.208 -0.675 1.831 150 HB2 ASP 20 HB2 ASP 20 -6.932 -3.197 0.225 151 HB3 ASP 20 HB1 ASP 20 -5.837 -2.864 1.564 152 H ASP 21 HN ASP 21 -5.373 0.335 2.096 153 HA ASP 21 HA ASP 21 -3.793 0.923 -0.295 154 HB2 ASP 21 HB2 ASP 21 -3.069 2.918 0.818 155 HB3 ASP 21 HB1 ASP 21 -4.814 2.767 1.031 156 H ASP 22 HN ASP 22 -3.700 -1.188 2.166 157 HA ASP 22 HA ASP 22 -0.767 -1.297 2.120 158 HB2 ASP 22 HB2 ASP 22 -0.624 -1.711 4.441 159 HB3 ASP 22 HB1 ASP 22 -1.834 -0.443 4.329 160 HA PRO 23 HA PRO 23 -0.938 -5.610 1.058 161 HB2 PRO 23 HB2 PRO 23 0.387 -6.454 3.577 162 HB3 PRO 23 HB1 PRO 23 0.901 -6.687 1.900 163 HG2 PRO 23 HG2 PRO 23 2.128 -4.916 3.432 164 HG3 PRO 23 HG1 PRO 23 1.766 -4.536 1.739 165 HD2 PRO 23 HD2 PRO 23 0.315 -3.675 4.217 166 HD3 PRO 23 HD1 PRO 23 0.786 -2.710 2.800 167 H THR 24 HN THR 24 -3.247 -4.752 2.663 168 HA THR 24 HA THR 24 -4.012 -7.218 4.049 169 HB THR 24 HB THR 24 -5.364 -4.489 3.978 170 HG1 THR 24 HG1 THR 24 -3.612 -4.266 5.277 171 HG21 THR 24 HG21 THR 24 -5.998 -6.906 5.684 172 HG22 THR 24 HG22 THR 24 -6.969 -6.323 4.329 173 HG23 THR 24 HG23 THR 24 -6.787 -5.328 5.773 174 H GLY 25 HN GLY 25 -4.228 -5.624 1.098 175 HA2 GLY 25 HA2 GLY 25 -6.886 -6.323 0.323 176 HA3 GLY 25 HA1 GLY 25 -5.625 -5.709 -0.729 177 H ASP 26 HN ASP 26 -6.292 -8.661 1.126 178 HA ASP 26 HA ASP 26 -5.628 -10.221 -1.281 179 HB2 ASP 26 HB2 ASP 26 -5.186 -10.790 1.627 180 HB3 ASP 26 HB1 ASP 26 -5.331 -12.127 0.486 181 H TYR 27 HN TYR 27 -6.966 -12.055 -1.765 182 HA TYR 27 HA TYR 27 -9.489 -12.253 -0.332 183 HB2 TYR 27 HB2 TYR 27 -10.793 -11.957 -2.467 184 HB3 TYR 27 HB1 TYR 27 -10.065 -10.493 -1.822 185 HD1 TYR 27 HD1 TYR 27 -9.661 -13.112 -4.436 186 HD2 TYR 27 HD2 TYR 27 -8.572 -9.224 -3.129 187 HE1 TYR 27 HE1 TYR 27 -8.606 -12.679 -6.614 188 HE2 TYR 27 HE2 TYR 27 -7.519 -8.777 -5.301 189 HH TYR 27 HH TYR 27 -6.545 -10.054 -7.168 190 H SER 28 HN SER 28 -10.753 -14.085 -0.867 191 HA SER 28 HA SER 28 -9.250 -16.387 -1.600 192 HB2 SER 28 HB2 SER 28 -11.182 -16.407 0.014 193 HB3 SER 28 HB1 SER 28 -12.256 -16.111 -1.362 194 HG SER 28 HG SER 28 -11.054 -18.431 -0.545 195 H SER 29 HN SER 29 -11.715 -14.421 -3.180 196 HA SER 29 HA SER 29 -10.804 -15.367 -5.769 197 HB2 SER 29 HB2 SER 29 -13.717 -15.575 -4.932 198 HB3 SER 29 HB1 SER 29 -13.080 -15.910 -6.541 199 HG SER 29 HG SER 29 -11.657 -17.337 -4.840 200 H LYS 30 HN LYS 30 -11.121 -13.870 -7.384 201 HA LYS 30 HA LYS 30 -11.356 -11.144 -6.612 202 HB2 LYS 30 HB2 LYS 30 -10.023 -11.980 -8.519 203 HB3 LYS 30 HB1 LYS 30 -11.513 -12.356 -9.370 204 HG2 LYS 30 HG2 LYS 30 -12.121 -9.967 -9.272 205 HG3 LYS 30 HG1 LYS 30 -10.553 -9.631 -8.529 206 HD2 LYS 30 HD2 LYS 30 -10.966 -10.926 -11.214 207 HD3 LYS 30 HD1 LYS 30 -10.588 -9.221 -10.962 208 HE2 LYS 30 HE2 LYS 30 -8.473 -9.813 -9.936 209 HE3 LYS 30 HE1 LYS 30 -8.856 -11.527 -10.078 210 HZ1 LYS 30 HZ1 LYS 30 -8.892 -11.285 -12.464 211 HZ2 LYS 30 HZ2 LYS 30 -7.396 -10.817 -11.837 212 HZ3 LYS 30 HZ3 LYS 30 -8.513 -9.645 -12.328 213 H GLU 31 HN GLU 31 -13.552 -13.443 -8.123 214 HA GLU 31 HA GLU 31 -15.514 -11.577 -8.883 215 HB2 GLU 31 HB2 GLU 31 -16.912 -13.402 -9.386 216 HB3 GLU 31 HB1 GLU 31 -15.282 -13.975 -9.700 217 HG2 GLU 31 HG2 GLU 31 -15.263 -15.176 -7.590 218 HG3 GLU 31 HG1 GLU 31 -16.841 -14.491 -7.193 219 H ALA 32 HN ALA 32 -14.993 -13.352 -5.877 220 HA ALA 32 HA ALA 32 -17.556 -12.908 -4.808 221 HB1 ALA 32 HB1 ALA 32 -16.007 -14.553 -3.873 222 HB2 ALA 32 HB2 ALA 32 -16.614 -13.422 -2.657 223 HB3 ALA 32 HB3 ALA 32 -14.979 -13.235 -3.294 224 H ALA 33 HN ALA 33 -14.621 -10.992 -4.732 225 HA ALA 33 HA ALA 33 -15.689 -9.067 -2.934 226 HB1 ALA 33 HB1 ALA 33 -13.280 -9.379 -3.217 227 HB2 ALA 33 HB2 ALA 33 -13.761 -7.713 -3.536 228 HB3 ALA 33 HB3 ALA 33 -13.401 -8.799 -4.877 229 H PHE 34 HN PHE 34 -15.022 -8.934 -6.431 230 HA PHE 34 HA PHE 34 -16.288 -6.439 -6.750 231 HB2 PHE 34 HB2 PHE 34 -15.384 -8.492 -8.750 232 HB3 PHE 34 HB1 PHE 34 -16.136 -6.967 -9.226 233 HD1 PHE 34 HD1 PHE 34 -13.159 -8.615 -8.334 234 HD2 PHE 34 HD2 PHE 34 -15.097 -4.833 -8.297 235 HE1 PHE 34 HE1 PHE 34 -10.975 -7.532 -8.094 236 HE2 PHE 34 HE2 PHE 34 -12.887 -3.720 -8.064 237 HZ PHE 34 HZ PHE 34 -10.826 -5.101 -7.958 238 H GLU 35 HN GLU 35 -17.493 -9.713 -7.485 239 HA GLU 35 HA GLU 35 -19.833 -8.820 -8.713 240 HB2 GLU 35 HB2 GLU 35 -18.982 -11.114 -8.943 241 HB3 GLU 35 HB1 GLU 35 -19.443 -11.433 -7.278 242 HG2 GLU 35 HG2 GLU 35 -21.769 -11.051 -7.819 243 HG3 GLU 35 HG1 GLU 35 -21.337 -10.647 -9.478 244 H ALA 36 HN ALA 36 -19.226 -9.819 -5.360 245 HA ALA 36 HA ALA 36 -21.872 -9.376 -4.503 246 HB1 ALA 36 HB1 ALA 36 -20.321 -10.746 -3.238 247 HB2 ALA 36 HB2 ALA 36 -21.005 -9.452 -2.250 248 HB3 ALA 36 HB3 ALA 36 -19.354 -9.316 -2.866 249 H ALA 37 HN ALA 37 -18.993 -7.343 -4.600 250 HA ALA 37 HA ALA 37 -19.972 -5.152 -3.183 251 HB1 ALA 37 HB1 ALA 37 -18.214 -3.874 -4.218 252 HB2 ALA 37 HB2 ALA 37 -18.027 -5.099 -5.479 253 HB3 ALA 37 HB3 ALA 37 -17.616 -5.484 -3.808 254 H CYS 38 HN CYS 38 -19.970 -5.751 -6.709 255 HA CYS 38 HA CYS 38 -21.361 -3.386 -7.282 256 HB2 CYS 38 HB2 CYS 38 -21.750 -4.308 -9.518 257 HB3 CYS 38 HB1 CYS 38 -20.075 -4.451 -9.002 258 HG CYS 38 HG CYS 38 -21.453 -7.254 -8.148 259 H ALA 39 HN ALA 39 -22.420 -6.663 -6.546 260 HA ALA 39 HA ALA 39 -25.125 -6.431 -7.231 261 HB1 ALA 39 HB1 ALA 39 -25.497 -8.320 -5.728 262 HB2 ALA 39 HB2 ALA 39 -23.894 -8.087 -5.031 263 HB3 ALA 39 HB3 ALA 39 -24.059 -8.576 -6.719 264 H ALA 40 HN ALA 40 -23.472 -5.925 -4.143 265 HA ALA 40 HA ALA 40 -25.736 -4.978 -2.710 266 HB1 ALA 40 HB1 ALA 40 -22.813 -4.386 -2.235 267 HB2 ALA 40 HB2 ALA 40 -23.692 -5.783 -1.609 268 HB3 ALA 40 HB3 ALA 40 -24.124 -4.157 -1.078 269 H ALA 41 HN ALA 41 -23.339 -3.375 -4.711 270 HA ALA 41 HA ALA 41 -23.959 -0.715 -4.123 271 HB1 ALA 41 HB1 ALA 41 -23.087 -1.862 -6.769 272 HB2 ALA 41 HB2 ALA 41 -22.009 -1.402 -5.450 273 HB3 ALA 41 HB3 ALA 41 -22.970 -0.174 -6.276 274 H SER 42 HN SER 42 -25.381 -2.961 -6.446 275 HA SER 42 HA SER 42 -27.013 -1.125 -7.745 276 HB2 SER 42 HB2 SER 42 -27.572 -4.053 -7.259 277 HB3 SER 42 HB1 SER 42 -28.337 -3.032 -8.480 278 HG SER 42 HG SER 42 -25.544 -3.600 -8.330 279 H ASN 43 HN ASN 43 -27.654 -3.201 -4.938 280 HA ASN 43 HA ASN 43 -30.329 -2.402 -4.496 281 HB2 ASN 43 HB2 ASN 43 -29.368 -4.422 -3.464 282 HB3 ASN 43 HB1 ASN 43 -28.274 -3.425 -2.514 283 HD21 ASN 43 HD21 ASN 43 -29.019 -4.061 -0.525 284 HD22 ASN 43 HD22 ASN 43 -30.594 -3.680 0.065 285 H ALA 44 HN ALA 44 -27.241 -1.250 -3.224 286 HA ALA 44 HA ALA 44 -28.257 0.525 -1.345 287 HB1 ALA 44 HB1 ALA 44 -25.947 -0.257 -1.367 288 HB2 ALA 44 HB2 ALA 44 -26.041 1.505 -1.302 289 HB3 ALA 44 HB3 ALA 44 -25.642 0.698 -2.817 290 H ILE 45 HN ILE 45 -27.117 1.147 -4.672 291 HA ILE 45 HA ILE 45 -27.706 3.917 -4.542 292 HB ILE 45 HB ILE 45 -26.020 2.978 -6.123 293 HG12 ILE 45 HG12 ILE 45 -28.205 4.496 -7.562 294 HG13 ILE 45 HG11 ILE 45 -27.070 5.236 -6.441 295 HG21 ILE 45 HG21 ILE 45 -27.213 0.995 -6.864 296 HG22 ILE 45 HG22 ILE 45 -26.752 1.989 -8.247 297 HG23 ILE 45 HG23 ILE 45 -28.418 2.000 -7.668 298 HD11 ILE 45 HD11 ILE 45 -25.218 4.580 -7.908 299 HD12 ILE 45 HD12 ILE 45 -26.389 5.615 -8.730 300 HD13 ILE 45 HD13 ILE 45 -26.379 3.879 -9.036 301 H LYS 46 HN LYS 46 -29.513 1.119 -5.660 302 HA LYS 46 HA LYS 46 -31.562 2.485 -6.986 303 HB2 LYS 46 HB2 LYS 46 -31.202 0.043 -7.135 304 HB3 LYS 46 HB1 LYS 46 -31.779 -0.119 -5.482 305 HG2 LYS 46 HG2 LYS 46 -33.967 0.714 -6.138 306 HG3 LYS 46 HG1 LYS 46 -33.397 0.940 -7.792 307 HD2 LYS 46 HD2 LYS 46 -34.617 -1.115 -7.719 308 HD3 LYS 46 HD1 LYS 46 -32.902 -1.521 -7.858 309 HE2 LYS 46 HE2 LYS 46 -32.795 -1.934 -5.462 310 HE3 LYS 46 HE1 LYS 46 -34.493 -1.484 -5.299 311 HZ1 LYS 46 HZ1 LYS 46 -35.044 -3.359 -6.773 312 HZ2 LYS 46 HZ2 LYS 46 -34.288 -3.848 -5.344 313 HZ3 LYS 46 HZ3 LYS 46 -33.413 -3.812 -6.786 314 H PHE 47 HN PHE 47 -31.120 1.634 -3.584 315 HA PHE 47 HA PHE 47 -33.761 2.585 -2.878 316 HB2 PHE 47 HB2 PHE 47 -32.414 0.600 -1.831 317 HB3 PHE 47 HB1 PHE 47 -31.675 1.858 -0.853 318 HD1 PHE 47 HD1 PHE 47 -34.743 0.004 -1.550 319 HD2 PHE 47 HD2 PHE 47 -32.995 3.092 0.801 320 HE1 PHE 47 HE1 PHE 47 -36.676 -0.063 -0.030 321 HE2 PHE 47 HE2 PHE 47 -34.922 3.028 2.324 322 HZ PHE 47 HZ PHE 47 -36.765 1.451 1.912 323 H GLY 48 HN GLY 48 -30.777 4.059 -3.333 324 HA2 GLY 48 HA2 GLY 48 -30.231 6.307 -2.993 325 HA3 GLY 48 HA1 GLY 48 -31.707 6.495 -2.053 326 H HIS 49 HN HIS 49 -29.604 3.899 -1.324 327 HA HIS 49 HA HIS 49 -29.120 4.817 1.315 328 HB2 HIS 49 HB2 HIS 49 -27.865 2.614 -0.325 329 HB3 HIS 49 HB1 HIS 49 -27.454 2.905 1.363 330 HD2 HIS 49 HD2 HIS 49 -30.859 3.396 1.982 331 HE1 HIS 49 HE1 HIS 49 -30.788 -0.789 1.295 332 HE2 HIS 49 HE2 HIS 49 -31.870 1.094 2.562 333 H GLU 50 HN GLU 50 -27.269 5.782 2.176 334 HA GLU 50 HA GLU 50 -25.840 7.467 0.466 335 HB2 GLU 50 HB2 GLU 50 -26.092 7.927 2.834 336 HB3 GLU 50 HB1 GLU 50 -25.068 6.548 3.232 337 HG2 GLU 50 HG2 GLU 50 -23.236 7.649 1.899 338 HG3 GLU 50 HG1 GLU 50 -24.261 9.075 1.789 339 H VAL 51 HN VAL 51 -23.934 7.324 -0.514 340 HA VAL 51 HA VAL 51 -22.628 4.708 -0.448 341 HB VAL 51 HB VAL 51 -23.611 5.112 -2.621 342 HG11 VAL 51 HG11 VAL 51 -23.834 7.529 -2.537 343 HG12 VAL 51 HG12 VAL 51 -22.994 7.047 -4.010 344 HG13 VAL 51 HG13 VAL 51 -22.085 7.716 -2.657 345 HG21 VAL 51 HG21 VAL 51 -20.632 5.585 -2.737 346 HG22 VAL 51 HG22 VAL 51 -21.636 4.998 -4.065 347 HG23 VAL 51 HG23 VAL 51 -21.429 4.018 -2.614 348 H ARG 52 HN ARG 52 -20.563 4.639 0.137 349 HA ARG 52 HA ARG 52 -19.105 7.194 0.312 350 HB2 ARG 52 HB2 ARG 52 -19.809 5.828 2.465 351 HB3 ARG 52 HB1 ARG 52 -18.419 4.848 2.015 352 HG2 ARG 52 HG2 ARG 52 -17.602 6.384 3.573 353 HG3 ARG 52 HG1 ARG 52 -17.084 6.997 2.001 354 HD2 ARG 52 HD2 ARG 52 -19.668 7.933 3.171 355 HD3 ARG 52 HD1 ARG 52 -18.160 8.604 3.774 356 HE ARG 52 HE ARG 52 -17.717 9.248 1.394 357 HH11 ARG 52 HH11 ARG 52 -21.053 8.686 2.385 358 HH12 ARG 52 HH12 ARG 52 -21.686 9.950 1.401 359 HH21 ARG 52 HH21 ARG 52 -18.612 10.935 0.067 360 HH22 ARG 52 HH22 ARG 52 -20.320 11.220 0.091 361 H ILE 53 HN ILE 53 -17.580 7.200 -1.228 362 HA ILE 53 HA ILE 53 -16.319 4.648 -1.928 363 HB ILE 53 HB ILE 53 -16.413 7.228 -3.515 364 HG12 ILE 53 HG12 ILE 53 -18.612 6.135 -3.444 365 HG13 ILE 53 HG11 ILE 53 -17.912 6.022 -5.054 366 HG21 ILE 53 HG21 ILE 53 -15.331 4.516 -4.276 367 HG22 ILE 53 HG22 ILE 53 -14.379 5.961 -3.934 368 HG23 ILE 53 HG23 ILE 53 -15.440 5.920 -5.341 369 HD11 ILE 53 HD11 ILE 53 -17.238 3.710 -4.577 370 HD12 ILE 53 HD12 ILE 53 -18.980 3.943 -4.444 371 HD13 ILE 53 HD13 ILE 53 -17.991 3.831 -2.987 372 H THR 54 HN THR 54 -14.483 4.404 -0.840 373 HA THR 54 HA THR 54 -12.813 6.783 -0.588 374 HB THR 54 HB THR 54 -12.865 4.386 1.259 375 HG1 THR 54 HG1 THR 54 -14.030 6.955 1.332 376 HG21 THR 54 HG21 THR 54 -11.389 5.752 2.683 377 HG22 THR 54 HG22 THR 54 -11.365 7.010 1.448 378 HG23 THR 54 HG23 THR 54 -10.645 5.433 1.116 379 H VAL 55 HN VAL 55 -11.674 6.524 -2.421 380 HA VAL 55 HA VAL 55 -9.920 4.175 -2.543 381 HB VAL 55 HB VAL 55 -9.860 4.516 -5.065 382 HG11 VAL 55 HG11 VAL 55 -11.122 2.700 -4.016 383 HG12 VAL 55 HG12 VAL 55 -11.952 3.305 -5.449 384 HG13 VAL 55 HG13 VAL 55 -12.512 3.766 -3.841 385 HG21 VAL 55 HG21 VAL 55 -12.306 6.201 -4.495 386 HG22 VAL 55 HG22 VAL 55 -11.771 5.688 -6.094 387 HG23 VAL 55 HG23 VAL 55 -10.776 6.791 -5.142 388 HA PRO 56 HA PRO 56 -7.246 7.879 -2.152 389 HB2 PRO 56 HB2 PRO 56 -5.418 6.785 -0.519 390 HB3 PRO 56 HB1 PRO 56 -6.979 7.358 0.089 391 HG2 PRO 56 HG2 PRO 56 -6.133 4.567 -0.603 392 HG3 PRO 56 HG1 PRO 56 -6.999 5.146 0.834 393 HD2 PRO 56 HD2 PRO 56 -8.254 4.007 -1.280 394 HD3 PRO 56 HD1 PRO 56 -9.020 5.252 -0.273 395 H GLY 57 HN GLY 57 -5.478 8.367 -3.331 396 HA2 GLY 57 HA2 GLY 57 -4.111 6.153 -4.733 397 HA3 GLY 57 HA1 GLY 57 -4.270 7.794 -5.361 398 H ASN 58 HN ASN 58 -3.840 8.806 -2.635 399 HA ASN 58 HA ASN 58 -0.948 8.877 -2.646 400 HB2 ASN 58 HB2 ASN 58 -3.101 10.362 -1.126 401 HB3 ASN 58 HB1 ASN 58 -1.402 10.511 -0.702 402 HD21 ASN 58 HD21 ASN 58 -0.074 11.717 -1.961 403 HD22 ASN 58 HD22 ASN 58 -0.626 12.675 -3.294 404 H ASP 59 HN ASP 59 -0.483 9.188 0.078 405 HA ASP 59 HA ASP 59 -0.456 6.464 0.920 406 HB2 ASP 59 HB2 ASP 59 0.236 9.001 2.439 407 HB3 ASP 59 HB1 ASP 59 0.567 7.366 3.009 408 H GLY 60 HN GLY 60 -2.280 5.511 1.493 409 HA2 GLY 60 HA2 GLY 60 -4.632 6.902 2.275 410 HA3 GLY 60 HA1 GLY 60 -4.413 5.160 2.274 411 H SER 61 HN SER 61 -2.200 5.143 4.018 412 HA SER 61 HA SER 61 -3.576 5.273 6.519 413 HB2 SER 61 HB2 SER 61 -0.660 4.698 5.932 414 HB3 SER 61 HB1 SER 61 -1.508 4.348 7.438 415 HG SER 61 HG SER 61 -2.129 3.233 4.875 416 H GLU 62 HN GLU 62 -2.106 7.566 4.655 417 HA GLU 62 HA GLU 62 -1.470 9.716 4.924 418 HB2 GLU 62 HB2 GLU 62 -3.261 9.904 6.619 419 HB3 GLU 62 HB1 GLU 62 -2.137 9.363 7.856 420 HG2 GLU 62 HG2 GLU 62 -0.732 11.344 7.396 421 HG3 GLU 62 HG1 GLU 62 -1.944 11.898 6.243 422 H THR 63 HN THR 63 -0.199 7.346 7.074 423 HA THR 63 HA THR 63 2.181 8.889 7.654 424 HB THR 63 HB THR 63 1.555 6.024 8.406 425 HG1 THR 63 HG1 THR 63 0.784 8.490 9.498 426 HG21 THR 63 HG21 THR 63 3.496 8.033 9.575 427 HG22 THR 63 HG22 THR 63 3.935 6.651 8.573 428 HG23 THR 63 HG23 THR 63 3.227 6.393 10.168 429 H ASN 64 HN ASN 64 3.918 8.822 6.397 430 HA ASN 64 HA ASN 64 4.094 6.843 4.314 431 HB2 ASN 64 HB2 ASN 64 6.097 8.062 3.562 432 HB3 ASN 64 HB1 ASN 64 4.740 9.153 3.781 433 HD21 ASN 64 HD21 ASN 64 7.582 9.702 3.715 434 HD22 ASN 64 HD22 ASN 64 7.966 10.473 5.217 435 H LEU 65 HN LEU 65 5.240 5.051 4.383 436 HA LEU 65 HA LEU 65 6.521 4.394 6.899 437 HB2 LEU 65 HB2 LEU 65 5.989 2.688 4.471 438 HB3 LEU 65 HB1 LEU 65 6.554 2.109 6.025 439 HG LEU 65 HG LEU 65 3.857 3.365 5.490 440 HD11 LEU 65 HD11 LEU 65 4.580 0.512 6.123 441 HD12 LEU 65 HD12 LEU 65 4.103 1.123 4.541 442 HD13 LEU 65 HD13 LEU 65 2.956 1.155 5.878 443 HD21 LEU 65 HD21 LEU 65 4.621 3.873 7.735 444 HD22 LEU 65 HD22 LEU 65 5.002 2.176 8.014 445 HD23 LEU 65 HD23 LEU 65 3.328 2.678 7.789 446 H GLY 66 HN GLY 66 7.436 5.673 3.969 447 HA2 GLY 66 HA2 GLY 66 9.570 6.234 3.236 448 HA3 GLY 66 HA1 GLY 66 10.238 5.293 4.564 449 H VAL 67 HN VAL 67 7.880 3.920 2.486 450 HA VAL 67 HA VAL 67 9.809 1.939 1.610 451 HB VAL 67 HB VAL 67 7.787 0.792 0.623 452 HG11 VAL 67 HG11 VAL 67 7.746 1.409 3.580 453 HG12 VAL 67 HG12 VAL 67 8.691 0.145 2.788 454 HG13 VAL 67 HG13 VAL 67 6.931 0.050 2.808 455 HG21 VAL 67 HG21 VAL 67 6.297 2.936 2.139 456 HG22 VAL 67 HG22 VAL 67 5.577 1.520 1.371 457 HG23 VAL 67 HG23 VAL 67 6.357 2.759 0.384 458 H ILE 68 HN ILE 68 10.355 1.514 -0.468 459 HA ILE 68 HA ILE 68 9.885 3.649 -2.346 460 HB ILE 68 HB ILE 68 12.150 2.841 -2.240 461 HG12 ILE 68 HG12 ILE 68 12.557 2.153 -4.601 462 HG13 ILE 68 HG11 ILE 68 10.824 1.910 -4.797 463 HG21 ILE 68 HG21 ILE 68 12.790 0.541 -2.816 464 HG22 ILE 68 HG22 ILE 68 11.082 0.103 -2.877 465 HG23 ILE 68 HG23 ILE 68 11.804 0.633 -1.356 466 HD11 ILE 68 HD11 ILE 68 11.546 4.040 -5.723 467 HD12 ILE 68 HD12 ILE 68 12.178 4.522 -4.148 468 HD13 ILE 68 HD13 ILE 68 10.444 4.280 -4.368 469 H THR 69 HN THR 69 7.983 3.611 -3.321 470 HA THR 69 HA THR 69 6.830 1.050 -4.077 471 HB THR 69 HB THR 69 5.575 3.803 -4.201 472 HG1 THR 69 HG1 THR 69 4.849 3.441 -2.204 473 HG21 THR 69 HG21 THR 69 3.456 2.556 -4.379 474 HG22 THR 69 HG22 THR 69 4.353 1.038 -4.389 475 HG23 THR 69 HG23 THR 69 4.530 2.175 -5.724 476 H ASN 70 HN ASN 70 8.268 0.614 -5.769 477 HA ASN 70 HA ASN 70 7.990 2.301 -8.144 478 HB2 ASN 70 HB2 ASN 70 10.310 1.804 -7.434 479 HB3 ASN 70 HB1 ASN 70 9.979 0.085 -7.602 480 HD21 ASN 70 HD21 ASN 70 11.588 -0.154 -9.133 481 HD22 ASN 70 HD22 ASN 70 11.416 0.417 -10.758 Start of MODEL 9 1 H MET 1 HT1 MET 1 -0.300 -1.643 -9.166 2 HA MET 1 HA MET 1 1.027 -3.387 -10.029 3 HB2 MET 1 HB2 MET 1 3.342 -3.709 -9.235 4 HB3 MET 1 HB1 MET 1 3.183 -2.204 -10.122 5 HG2 MET 1 HG2 MET 1 3.153 -0.951 -8.048 6 HG3 MET 1 HG1 MET 1 3.240 -2.445 -7.116 7 HE1 MET 1 HE1 MET 1 5.315 0.026 -6.725 8 HE2 MET 1 HE2 MET 1 6.768 -0.952 -6.458 9 HE3 MET 1 HE3 MET 1 5.226 -1.463 -5.777 10 H GLY 2 HN GLY 2 0.814 -5.303 -9.015 11 HA2 GLY 2 HA2 GLY 2 0.674 -6.694 -7.105 12 HA3 GLY 2 HA1 GLY 2 0.379 -5.254 -6.127 13 H LYS 3 HN LYS 3 -1.264 -7.413 -5.859 14 HA LYS 3 HA LYS 3 -3.523 -7.311 -7.565 15 HB2 LYS 3 HB2 LYS 3 -3.213 -8.348 -4.731 16 HB3 LYS 3 HB1 LYS 3 -4.624 -8.614 -5.741 17 HG2 LYS 3 HG2 LYS 3 -3.320 -9.864 -7.335 18 HG3 LYS 3 HG1 LYS 3 -1.832 -9.497 -6.442 19 HD2 LYS 3 HD2 LYS 3 -2.737 -10.753 -4.514 20 HD3 LYS 3 HD1 LYS 3 -4.184 -11.101 -5.464 21 HE2 LYS 3 HE2 LYS 3 -2.878 -12.317 -7.093 22 HE3 LYS 3 HE1 LYS 3 -1.388 -11.907 -6.248 23 HZ1 LYS 3 HZ1 LYS 3 -2.093 -14.138 -5.743 24 HZ2 LYS 3 HZ2 LYS 3 -3.578 -13.599 -5.163 25 HZ3 LYS 3 HZ3 LYS 3 -2.155 -13.196 -4.343 26 H ALA 4 HN ALA 4 -5.254 -5.995 -7.535 27 HA ALA 4 HA ALA 4 -5.235 -3.813 -5.617 28 HB1 ALA 4 HB1 ALA 4 -7.006 -4.197 -8.040 29 HB2 ALA 4 HB2 ALA 4 -5.513 -3.260 -7.988 30 HB3 ALA 4 HB3 ALA 4 -6.906 -2.747 -7.042 31 H TYR 5 HN TYR 5 -6.141 -4.293 -3.753 32 HA TYR 5 HA TYR 5 -8.555 -5.928 -3.704 33 HB2 TYR 5 HB2 TYR 5 -6.800 -6.679 -2.239 34 HB3 TYR 5 HB1 TYR 5 -6.656 -5.092 -1.487 35 HD1 TYR 5 HD1 TYR 5 -9.067 -7.904 -2.000 36 HD2 TYR 5 HD2 TYR 5 -7.839 -4.686 0.494 37 HE1 TYR 5 HE1 TYR 5 -10.639 -8.637 -0.273 38 HE2 TYR 5 HE2 TYR 5 -9.390 -5.416 2.227 39 HH TYR 5 HH TYR 5 -11.433 -6.695 2.431 40 H TYR 6 HN TYR 6 -10.473 -5.237 -2.939 41 HA TYR 6 HA TYR 6 -10.677 -2.466 -2.029 42 HB2 TYR 6 HB2 TYR 6 -12.438 -4.008 -3.934 43 HB3 TYR 6 HB1 TYR 6 -13.017 -2.568 -3.098 44 HD1 TYR 6 HD1 TYR 6 -10.235 -3.744 -5.311 45 HD2 TYR 6 HD2 TYR 6 -12.723 -0.507 -4.131 46 HE1 TYR 6 HE1 TYR 6 -9.284 -2.366 -7.099 47 HE2 TYR 6 HE2 TYR 6 -11.782 0.868 -5.942 48 HH TYR 6 HH TYR 6 -9.827 1.021 -7.339 49 H ASP 7 HN ASP 7 -11.347 -2.453 0.025 50 HA ASP 7 HA ASP 7 -12.752 -4.798 1.005 51 HB2 ASP 7 HB2 ASP 7 -10.756 -3.888 2.250 52 HB3 ASP 7 HB1 ASP 7 -11.730 -2.473 2.634 53 H ILE 8 HN ILE 8 -14.808 -4.714 0.777 54 HA ILE 8 HA ILE 8 -16.086 -2.138 0.744 55 HB ILE 8 HB ILE 8 -18.141 -3.447 0.064 56 HG12 ILE 8 HG12 ILE 8 -17.420 -5.719 -1.017 57 HG13 ILE 8 HG11 ILE 8 -16.144 -5.688 0.197 58 HG21 ILE 8 HG21 ILE 8 -15.668 -3.654 -1.671 59 HG22 ILE 8 HG22 ILE 8 -16.760 -2.276 -1.553 60 HG23 ILE 8 HG23 ILE 8 -17.328 -3.794 -2.243 61 HD11 ILE 8 HD11 ILE 8 -17.817 -5.657 1.958 62 HD12 ILE 8 HD12 ILE 8 -18.096 -7.021 0.877 63 HD13 ILE 8 HD13 ILE 8 -19.098 -5.577 0.754 64 H VAL 9 HN VAL 9 -17.732 -1.503 2.031 65 HA VAL 9 HA VAL 9 -17.988 -3.002 4.544 66 HB VAL 9 HB VAL 9 -18.615 -0.070 4.001 67 HG11 VAL 9 HG11 VAL 9 -18.495 -1.610 6.595 68 HG12 VAL 9 HG12 VAL 9 -19.973 -1.079 5.783 69 HG13 VAL 9 HG13 VAL 9 -18.842 0.118 6.433 70 HG21 VAL 9 HG21 VAL 9 -16.263 -1.332 5.407 71 HG22 VAL 9 HG22 VAL 9 -16.628 0.384 5.410 72 HG23 VAL 9 HG23 VAL 9 -16.232 -0.431 3.890 73 H GLY 10 HN GLY 10 -19.936 -3.853 5.018 74 HA2 GLY 10 HA2 GLY 10 -22.087 -3.237 3.100 75 HA3 GLY 10 HA1 GLY 10 -21.867 -4.780 3.911 76 H SER 11 HN SER 11 -23.534 -1.961 3.847 77 HA SER 11 HA SER 11 -24.931 -2.611 6.279 78 HB2 SER 11 HB2 SER 11 -23.567 0.085 5.929 79 HB3 SER 11 HB1 SER 11 -24.749 -0.298 7.181 80 HG SER 11 HG SER 11 -22.733 -2.116 7.045 81 H ASP 12 HN ASP 12 -27.038 -2.370 5.880 82 HA ASP 12 HA ASP 12 -27.982 -1.431 3.400 83 HB2 ASP 12 HB2 ASP 12 -30.203 -2.029 4.212 84 HB3 ASP 12 HB1 ASP 12 -29.053 -3.278 4.645 85 H ASN 13 HN ASN 13 -27.116 0.417 6.000 86 HA ASN 13 HA ASN 13 -28.978 2.539 5.111 87 HB2 ASN 13 HB2 ASN 13 -29.000 1.989 7.551 88 HB3 ASN 13 HB1 ASN 13 -27.305 2.488 7.602 89 HD21 ASN 13 HD21 ASN 13 -27.705 4.146 9.058 90 HD22 ASN 13 HD22 ASN 13 -28.497 5.603 8.579 91 H ARG 14 HN ARG 14 -25.674 1.600 5.511 92 HA ARG 14 HA ARG 14 -24.764 3.981 4.076 93 HB2 ARG 14 HB2 ARG 14 -24.504 4.004 6.721 94 HB3 ARG 14 HB1 ARG 14 -23.153 2.940 6.384 95 HG2 ARG 14 HG2 ARG 14 -22.241 5.104 6.503 96 HG3 ARG 14 HG1 ARG 14 -22.326 4.742 4.773 97 HD2 ARG 14 HD2 ARG 14 -24.448 5.956 4.631 98 HD3 ARG 14 HD1 ARG 14 -24.332 6.339 6.354 99 HE ARG 14 HE ARG 14 -22.921 7.557 4.170 100 HH11 ARG 14 HH11 ARG 14 -22.866 7.015 7.640 101 HH12 ARG 14 HH12 ARG 14 -22.035 8.483 7.973 102 HH21 ARG 14 HH21 ARG 14 -21.922 9.488 4.614 103 HH22 ARG 14 HH22 ARG 14 -21.453 9.908 6.236 104 H TRP 15 HN TRP 15 -24.147 2.909 2.259 105 HA TRP 15 HA TRP 15 -22.449 0.538 2.636 106 HB2 TRP 15 HB2 TRP 15 -24.726 0.830 1.088 107 HB3 TRP 15 HB1 TRP 15 -23.442 1.080 -0.096 108 HD1 TRP 15 HD1 TRP 15 -25.267 -1.572 1.727 109 HE1 TRP 15 HE1 TRP 15 -24.254 -3.885 1.273 110 HE3 TRP 15 HE3 TRP 15 -20.927 -0.142 -0.608 111 HZ2 TRP 15 HZ2 TRP 15 -21.992 -4.964 0.097 112 HZ3 TRP 15 HZ3 TRP 15 -19.399 -1.938 -1.366 113 HH2 TRP 15 HH2 TRP 15 -19.928 -4.273 -1.012 114 H GLY 16 HN GLY 16 -20.339 0.583 1.978 115 HA2 GLY 16 HA2 GLY 16 -19.501 2.947 0.444 116 HA3 GLY 16 HA1 GLY 16 -18.745 2.609 1.980 117 H ILE 17 HN ILE 17 -17.844 2.712 -0.900 118 HA ILE 17 HA ILE 17 -16.568 0.077 -1.126 119 HB ILE 17 HB ILE 17 -16.586 2.425 -3.062 120 HG12 ILE 17 HG12 ILE 17 -18.841 1.403 -2.798 121 HG13 ILE 17 HG11 ILE 17 -18.177 1.152 -4.416 122 HG21 ILE 17 HG21 ILE 17 -15.720 0.785 -4.680 123 HG22 ILE 17 HG22 ILE 17 -15.583 -0.414 -3.387 124 HG23 ILE 17 HG23 ILE 17 -14.621 1.071 -3.332 125 HD11 ILE 17 HD11 ILE 17 -18.158 -0.863 -2.187 126 HD12 ILE 17 HD12 ILE 17 -17.601 -1.146 -3.830 127 HD13 ILE 17 HD13 ILE 17 -19.306 -0.829 -3.514 128 H ARG 18 HN ARG 18 -14.692 -0.007 0.060 129 HA ARG 18 HA ARG 18 -12.997 2.395 0.090 130 HB2 ARG 18 HB2 ARG 18 -13.853 1.728 2.283 131 HB3 ARG 18 HB1 ARG 18 -13.168 0.122 2.071 132 HG2 ARG 18 HG2 ARG 18 -10.927 1.080 2.082 133 HG3 ARG 18 HG1 ARG 18 -11.599 2.696 2.256 134 HD2 ARG 18 HD2 ARG 18 -10.855 1.890 4.407 135 HD3 ARG 18 HD1 ARG 18 -12.611 2.027 4.392 136 HE ARG 18 HE ARG 18 -12.564 -0.465 3.970 137 HH11 ARG 18 HH11 ARG 18 -9.983 1.129 5.704 138 HH12 ARG 18 HH12 ARG 18 -9.527 -0.279 6.590 139 HH21 ARG 18 HH21 ARG 18 -12.003 -2.326 5.186 140 HH22 ARG 18 HH22 ARG 18 -10.707 -2.257 6.326 141 H HIS 19 HN HIS 19 -11.313 2.263 -1.261 142 HA HIS 19 HA HIS 19 -10.283 -0.312 -2.082 143 HB2 HIS 19 HB2 HIS 19 -10.409 1.362 -3.792 144 HB3 HIS 19 HB1 HIS 19 -9.474 2.493 -2.816 145 HD1 HIS 19 HD1 HIS 19 -8.497 -1.122 -3.518 146 HD2 HIS 19 HD2 HIS 19 -7.282 2.739 -4.431 147 HE1 HIS 19 HE1 HIS 19 -6.345 -1.373 -4.768 148 H ASP 20 HN ASP 20 -9.418 -1.269 -0.361 149 HA ASP 20 HA ASP 20 -7.103 -0.002 0.855 150 HB2 ASP 20 HB2 ASP 20 -8.931 -2.206 1.661 151 HB3 ASP 20 HB1 ASP 20 -7.261 -2.338 2.178 152 H ASP 21 HN ASP 21 -5.260 -0.384 -0.029 153 HA ASP 21 HA ASP 21 -5.058 -1.935 -2.360 154 HB2 ASP 21 HB2 ASP 21 -2.600 -1.399 -2.222 155 HB3 ASP 21 HB1 ASP 21 -3.687 -0.005 -2.103 156 H ASP 22 HN ASP 22 -3.641 -2.489 0.834 157 HA ASP 22 HA ASP 22 -4.253 -5.199 0.870 158 HB2 ASP 22 HB2 ASP 22 -2.643 -5.457 -0.950 159 HB3 ASP 22 HB1 ASP 22 -1.374 -4.738 0.042 160 HA PRO 23 HA PRO 23 -2.470 -3.808 4.867 161 HB2 PRO 23 HB2 PRO 23 -4.645 -3.005 6.157 162 HB3 PRO 23 HB1 PRO 23 -3.913 -1.974 4.924 163 HG2 PRO 23 HG2 PRO 23 -6.370 -3.684 4.752 164 HG3 PRO 23 HG1 PRO 23 -6.061 -2.083 4.058 165 HD2 PRO 23 HD2 PRO 23 -5.827 -4.556 2.741 166 HD3 PRO 23 HD1 PRO 23 -5.239 -2.992 2.140 167 H THR 24 HN THR 24 -4.619 -6.107 3.679 168 HA THR 24 HA THR 24 -4.985 -7.385 6.261 169 HB THR 24 HB THR 24 -7.033 -6.681 5.212 170 HG1 THR 24 HG1 THR 24 -6.678 -9.517 5.143 171 HG21 THR 24 HG21 THR 24 -7.806 -7.568 3.055 172 HG22 THR 24 HG22 THR 24 -6.261 -8.395 2.841 173 HG23 THR 24 HG23 THR 24 -6.324 -6.629 2.862 174 H GLY 25 HN GLY 25 -3.871 -7.829 2.925 175 HA2 GLY 25 HA2 GLY 25 -2.349 -9.350 2.110 176 HA3 GLY 25 HA1 GLY 25 -2.258 -10.064 3.717 177 H ASP 26 HN ASP 26 -5.313 -10.295 3.540 178 HA ASP 26 HA ASP 26 -5.298 -12.790 1.977 179 HB2 ASP 26 HB2 ASP 26 -6.716 -13.774 3.606 180 HB3 ASP 26 HB1 ASP 26 -5.427 -12.933 4.484 181 H TYR 27 HN TYR 27 -7.135 -13.377 0.817 182 HA TYR 27 HA TYR 27 -9.381 -11.580 0.689 183 HB2 TYR 27 HB2 TYR 27 -9.206 -11.161 -1.731 184 HB3 TYR 27 HB1 TYR 27 -7.788 -10.515 -0.901 185 HD1 TYR 27 HD1 TYR 27 -8.963 -12.686 -3.501 186 HD2 TYR 27 HD2 TYR 27 -5.662 -11.912 -0.932 187 HE1 TYR 27 HE1 TYR 27 -7.495 -14.006 -4.991 188 HE2 TYR 27 HE2 TYR 27 -4.191 -13.243 -2.403 189 HH TYR 27 HH TYR 27 -4.613 -15.195 -4.093 190 H SER 28 HN SER 28 -11.226 -12.657 0.115 191 HA SER 28 HA SER 28 -11.117 -15.489 -0.041 192 HB2 SER 28 HB2 SER 28 -13.467 -13.644 -0.553 193 HB3 SER 28 HB1 SER 28 -13.566 -15.362 -0.188 194 HG SER 28 HG SER 28 -12.110 -14.031 1.684 195 H SER 29 HN SER 29 -11.707 -12.893 -2.349 196 HA SER 29 HA SER 29 -10.648 -14.149 -4.584 197 HB2 SER 29 HB2 SER 29 -12.598 -15.704 -4.389 198 HB3 SER 29 HB1 SER 29 -13.693 -14.318 -4.513 199 HG SER 29 HG SER 29 -11.910 -15.357 -6.447 200 H LYS 30 HN LYS 30 -10.554 -12.702 -6.299 201 HA LYS 30 HA LYS 30 -11.099 -9.971 -5.711 202 HB2 LYS 30 HB2 LYS 30 -9.258 -10.791 -7.233 203 HB3 LYS 30 HB1 LYS 30 -10.496 -11.183 -8.411 204 HG2 LYS 30 HG2 LYS 30 -11.214 -8.845 -8.433 205 HG3 LYS 30 HG1 LYS 30 -9.896 -8.440 -7.341 206 HD2 LYS 30 HD2 LYS 30 -9.218 -7.879 -9.543 207 HD3 LYS 30 HD1 LYS 30 -8.332 -9.342 -9.090 208 HE2 LYS 30 HE2 LYS 30 -9.880 -10.699 -10.376 209 HE3 LYS 30 HE1 LYS 30 -10.868 -9.270 -10.733 210 HZ1 LYS 30 HZ1 LYS 30 -9.023 -8.362 -11.969 211 HZ2 LYS 30 HZ2 LYS 30 -9.440 -9.875 -12.580 212 HZ3 LYS 30 HZ3 LYS 30 -8.066 -9.710 -11.621 213 H GLU 31 HN GLU 31 -12.668 -12.359 -7.876 214 HA GLU 31 HA GLU 31 -14.494 -10.517 -8.957 215 HB2 GLU 31 HB2 GLU 31 -15.635 -12.376 -9.911 216 HB3 GLU 31 HB1 GLU 31 -13.914 -12.727 -9.980 217 HG2 GLU 31 HG2 GLU 31 -14.094 -14.150 -8.027 218 HG3 GLU 31 HG1 GLU 31 -15.802 -13.750 -7.901 219 H ALA 32 HN ALA 32 -14.629 -12.662 -6.170 220 HA ALA 32 HA ALA 32 -17.364 -12.362 -5.612 221 HB1 ALA 32 HB1 ALA 32 -15.119 -12.809 -3.655 222 HB2 ALA 32 HB2 ALA 32 -15.963 -14.066 -4.567 223 HB3 ALA 32 HB3 ALA 32 -16.839 -13.105 -3.368 224 H ALA 33 HN ALA 33 -14.568 -10.406 -4.855 225 HA ALA 33 HA ALA 33 -15.900 -8.705 -3.014 226 HB1 ALA 33 HB1 ALA 33 -13.966 -7.195 -3.387 227 HB2 ALA 33 HB2 ALA 33 -13.425 -8.250 -4.681 228 HB3 ALA 33 HB3 ALA 33 -13.469 -8.841 -3.030 229 H PHE 34 HN PHE 34 -14.941 -8.207 -6.438 230 HA PHE 34 HA PHE 34 -16.342 -5.756 -6.654 231 HB2 PHE 34 HB2 PHE 34 -15.307 -7.613 -8.774 232 HB3 PHE 34 HB1 PHE 34 -16.073 -6.071 -9.126 233 HD1 PHE 34 HD1 PHE 34 -13.115 -7.757 -7.952 234 HD2 PHE 34 HD2 PHE 34 -15.038 -3.979 -8.409 235 HE1 PHE 34 HE1 PHE 34 -10.956 -6.643 -7.625 236 HE2 PHE 34 HE2 PHE 34 -12.861 -2.846 -8.080 237 HZ PHE 34 HZ PHE 34 -10.820 -4.193 -7.686 238 H GLU 35 HN GLU 35 -17.286 -9.064 -7.540 239 HA GLU 35 HA GLU 35 -19.589 -8.397 -8.929 240 HB2 GLU 35 HB2 GLU 35 -18.615 -10.661 -8.977 241 HB3 GLU 35 HB1 GLU 35 -19.100 -10.905 -7.313 242 HG2 GLU 35 HG2 GLU 35 -21.446 -10.679 -7.944 243 HG3 GLU 35 HG1 GLU 35 -20.973 -10.383 -9.611 244 H ALA 36 HN ALA 36 -19.221 -9.371 -5.533 245 HA ALA 36 HA ALA 36 -21.921 -8.892 -4.875 246 HB1 ALA 36 HB1 ALA 36 -20.489 -10.261 -3.495 247 HB2 ALA 36 HB2 ALA 36 -21.199 -8.941 -2.556 248 HB3 ALA 36 HB3 ALA 36 -19.513 -8.861 -3.065 249 H ALA 37 HN ALA 37 -19.037 -6.877 -4.746 250 HA ALA 37 HA ALA 37 -20.078 -4.686 -3.373 251 HB1 ALA 37 HB1 ALA 37 -18.029 -4.601 -5.559 252 HB2 ALA 37 HB2 ALA 37 -17.699 -5.025 -3.880 253 HB3 ALA 37 HB3 ALA 37 -18.271 -3.403 -4.287 254 H CYS 38 HN CYS 38 -19.936 -5.226 -6.888 255 HA CYS 38 HA CYS 38 -21.220 -2.790 -7.446 256 HB2 CYS 38 HB2 CYS 38 -21.585 -3.651 -9.703 257 HB3 CYS 38 HB1 CYS 38 -19.933 -3.886 -9.168 258 HG CYS 38 HG CYS 38 -21.014 -6.659 -8.346 259 H ALA 39 HN ALA 39 -22.431 -6.074 -6.934 260 HA ALA 39 HA ALA 39 -25.099 -5.611 -7.710 261 HB1 ALA 39 HB1 ALA 39 -25.610 -7.639 -6.428 262 HB2 ALA 39 HB2 ALA 39 -23.962 -7.626 -5.791 263 HB3 ALA 39 HB3 ALA 39 -24.242 -7.840 -7.514 264 H ALA 40 HN ALA 40 -23.580 -5.625 -4.504 265 HA ALA 40 HA ALA 40 -25.915 -4.872 -3.092 266 HB1 ALA 40 HB1 ALA 40 -23.081 -4.422 -2.226 267 HB2 ALA 40 HB2 ALA 40 -23.896 -5.984 -2.130 268 HB3 ALA 40 HB3 ALA 40 -24.504 -4.603 -1.196 269 H ALA 41 HN ALA 41 -23.282 -2.970 -4.477 270 HA ALA 41 HA ALA 41 -24.165 -0.518 -3.387 271 HB1 ALA 41 HB1 ALA 41 -22.747 0.564 -5.000 272 HB2 ALA 41 HB2 ALA 41 -22.620 -0.927 -5.941 273 HB3 ALA 41 HB3 ALA 41 -21.924 -0.836 -4.319 274 H SER 42 HN SER 42 -25.010 -2.212 -6.389 275 HA SER 42 HA SER 42 -26.610 -0.202 -7.466 276 HB2 SER 42 HB2 SER 42 -26.923 -3.198 -7.678 277 HB3 SER 42 HB1 SER 42 -27.740 -2.012 -8.694 278 HG SER 42 HG SER 42 -24.966 -2.581 -8.533 279 H ASN 43 HN ASN 43 -27.296 -2.824 -5.202 280 HA ASN 43 HA ASN 43 -30.036 -2.372 -4.780 281 HB2 ASN 43 HB2 ASN 43 -28.968 -4.371 -3.918 282 HB3 ASN 43 HB1 ASN 43 -27.884 -3.432 -2.903 283 HD21 ASN 43 HD21 ASN 43 -28.448 -4.101 -0.900 284 HD22 ASN 43 HD22 ASN 43 -30.029 -3.985 -0.234 285 H ALA 44 HN ALA 44 -27.178 -1.086 -3.154 286 HA ALA 44 HA ALA 44 -28.471 0.350 -1.176 287 HB1 ALA 44 HB1 ALA 44 -25.796 0.908 -2.442 288 HB2 ALA 44 HB2 ALA 44 -26.079 -0.218 -1.115 289 HB3 ALA 44 HB3 ALA 44 -26.355 1.510 -0.885 290 H ILE 45 HN ILE 45 -27.230 1.477 -4.334 291 HA ILE 45 HA ILE 45 -28.064 4.148 -3.935 292 HB ILE 45 HB ILE 45 -26.259 3.453 -5.521 293 HG12 ILE 45 HG12 ILE 45 -27.445 5.717 -5.583 294 HG13 ILE 45 HG11 ILE 45 -26.545 5.259 -7.021 295 HG21 ILE 45 HG21 ILE 45 -26.895 2.818 -7.833 296 HG22 ILE 45 HG22 ILE 45 -28.543 2.544 -7.253 297 HG23 ILE 45 HG23 ILE 45 -27.213 1.590 -6.608 298 HD11 ILE 45 HD11 ILE 45 -29.548 5.108 -6.680 299 HD12 ILE 45 HD12 ILE 45 -28.642 4.688 -8.135 300 HD13 ILE 45 HD13 ILE 45 -28.649 6.354 -7.554 301 H LYS 46 HN LYS 46 -29.529 1.387 -5.524 302 HA LYS 46 HA LYS 46 -31.756 2.672 -6.638 303 HB2 LYS 46 HB2 LYS 46 -31.055 0.365 -7.182 304 HB3 LYS 46 HB1 LYS 46 -31.576 -0.157 -5.590 305 HG2 LYS 46 HG2 LYS 46 -33.882 0.422 -6.137 306 HG3 LYS 46 HG1 LYS 46 -33.358 0.978 -7.739 307 HD2 LYS 46 HD2 LYS 46 -32.952 -1.820 -6.695 308 HD3 LYS 46 HD1 LYS 46 -34.337 -1.348 -7.665 309 HE2 LYS 46 HE2 LYS 46 -32.732 -0.589 -9.432 310 HE3 LYS 46 HE1 LYS 46 -31.435 -1.270 -8.471 311 HZ1 LYS 46 HZ1 LYS 46 -32.092 -2.832 -10.120 312 HZ2 LYS 46 HZ2 LYS 46 -33.716 -2.753 -9.626 313 HZ3 LYS 46 HZ3 LYS 46 -32.547 -3.421 -8.599 314 H PHE 47 HN PHE 47 -31.180 1.325 -3.438 315 HA PHE 47 HA PHE 47 -33.926 1.701 -2.618 316 HB2 PHE 47 HB2 PHE 47 -32.012 -0.077 -1.873 317 HB3 PHE 47 HB1 PHE 47 -31.906 1.083 -0.559 318 HD1 PHE 47 HD1 PHE 47 -34.406 -0.872 -2.505 319 HD2 PHE 47 HD2 PHE 47 -33.379 0.887 1.221 320 HE1 PHE 47 HE1 PHE 47 -36.395 -1.898 -1.492 321 HE2 PHE 47 HE2 PHE 47 -35.360 -0.154 2.258 322 HZ PHE 47 HZ PHE 47 -36.866 -1.543 0.904 323 H GLY 48 HN GLY 48 -31.338 3.733 -2.893 324 HA2 GLY 48 HA2 GLY 48 -31.288 5.969 -2.306 325 HA3 GLY 48 HA1 GLY 48 -32.609 5.693 -1.172 326 H HIS 49 HN HIS 49 -30.125 3.454 -0.867 327 HA HIS 49 HA HIS 49 -29.318 4.336 1.737 328 HB2 HIS 49 HB2 HIS 49 -28.055 2.365 -0.153 329 HB3 HIS 49 HB1 HIS 49 -27.643 2.538 1.549 330 HD2 HIS 49 HD2 HIS 49 -31.126 2.727 2.060 331 HE1 HIS 49 HE1 HIS 49 -30.629 -1.398 1.227 332 HE2 HIS 49 HE2 HIS 49 -31.991 0.335 2.438 333 H GLU 50 HN GLU 50 -27.544 5.667 2.254 334 HA GLU 50 HA GLU 50 -26.341 7.141 0.143 335 HB2 GLU 50 HB2 GLU 50 -26.537 7.979 2.495 336 HB3 GLU 50 HB1 GLU 50 -25.264 6.852 2.964 337 HG2 GLU 50 HG2 GLU 50 -23.857 7.968 1.140 338 HG3 GLU 50 HG1 GLU 50 -25.086 9.218 1.133 339 H VAL 51 HN VAL 51 -24.525 6.770 -1.002 340 HA VAL 51 HA VAL 51 -22.991 4.390 -0.261 341 HB VAL 51 HB VAL 51 -24.192 4.076 -2.407 342 HG11 VAL 51 HG11 VAL 51 -23.704 5.415 -4.373 343 HG12 VAL 51 HG12 VAL 51 -22.602 6.418 -3.434 344 HG13 VAL 51 HG13 VAL 51 -24.335 6.440 -3.075 345 HG21 VAL 51 HG21 VAL 51 -21.200 4.386 -2.744 346 HG22 VAL 51 HG22 VAL 51 -22.260 3.445 -3.810 347 HG23 VAL 51 HG23 VAL 51 -22.046 2.962 -2.126 348 H ARG 52 HN ARG 52 -20.918 4.565 0.081 349 HA ARG 52 HA ARG 52 -19.660 7.192 -0.348 350 HB2 ARG 52 HB2 ARG 52 -19.715 5.896 1.963 351 HB3 ARG 52 HB1 ARG 52 -18.389 4.993 1.234 352 HG2 ARG 52 HG2 ARG 52 -17.388 6.690 2.497 353 HG3 ARG 52 HG1 ARG 52 -17.254 7.163 0.793 354 HD2 ARG 52 HD2 ARG 52 -19.671 8.127 2.184 355 HD3 ARG 52 HD1 ARG 52 -18.161 8.796 2.770 356 HE ARG 52 HE ARG 52 -17.736 9.558 0.500 357 HH11 ARG 52 HH11 ARG 52 -21.059 8.626 1.199 358 HH12 ARG 52 HH12 ARG 52 -21.737 9.765 0.091 359 HH21 ARG 52 HH21 ARG 52 -18.659 11.064 -0.970 360 HH22 ARG 52 HH22 ARG 52 -20.379 11.139 -1.139 361 H ILE 53 HN ILE 53 -17.871 7.337 -1.590 362 HA ILE 53 HA ILE 53 -16.892 4.856 -2.720 363 HB ILE 53 HB ILE 53 -18.272 5.831 -4.446 364 HG12 ILE 53 HG12 ILE 53 -15.385 6.456 -5.052 365 HG13 ILE 53 HG11 ILE 53 -16.096 4.842 -5.076 366 HG21 ILE 53 HG21 ILE 53 -16.731 8.380 -4.065 367 HG22 ILE 53 HG22 ILE 53 -18.414 8.113 -3.640 368 HG23 ILE 53 HG23 ILE 53 -17.918 8.078 -5.336 369 HD11 ILE 53 HD11 ILE 53 -17.558 5.449 -6.868 370 HD12 ILE 53 HD12 ILE 53 -15.904 5.861 -7.299 371 HD13 ILE 53 HD13 ILE 53 -17.023 7.120 -6.769 372 H THR 54 HN THR 54 -14.969 4.645 -1.978 373 HA THR 54 HA THR 54 -13.298 7.029 -1.993 374 HB THR 54 HB THR 54 -12.141 5.892 0.031 375 HG1 THR 54 HG1 THR 54 -13.975 4.078 -0.375 376 HG21 THR 54 HG21 THR 54 -14.869 7.126 0.339 377 HG22 THR 54 HG22 THR 54 -13.358 8.022 0.124 378 HG23 THR 54 HG23 THR 54 -13.614 7.056 1.577 379 H VAL 55 HN VAL 55 -12.263 6.529 -3.861 380 HA VAL 55 HA VAL 55 -10.564 4.124 -3.835 381 HB VAL 55 HB VAL 55 -11.936 5.227 -6.289 382 HG11 VAL 55 HG11 VAL 55 -11.097 3.164 -7.370 383 HG12 VAL 55 HG12 VAL 55 -10.199 2.800 -5.898 384 HG13 VAL 55 HG13 VAL 55 -9.793 4.233 -6.846 385 HG21 VAL 55 HG21 VAL 55 -13.241 3.147 -6.283 386 HG22 VAL 55 HG22 VAL 55 -13.564 4.113 -4.843 387 HG23 VAL 55 HG23 VAL 55 -12.513 2.701 -4.742 388 HA PRO 56 HA PRO 56 -7.763 7.741 -4.388 389 HB2 PRO 56 HB2 PRO 56 -5.766 5.787 -3.474 390 HB3 PRO 56 HB1 PRO 56 -6.175 7.360 -2.796 391 HG2 PRO 56 HG2 PRO 56 -6.817 5.075 -1.549 392 HG3 PRO 56 HG1 PRO 56 -7.854 6.513 -1.456 393 HD2 PRO 56 HD2 PRO 56 -8.163 4.054 -3.127 394 HD3 PRO 56 HD1 PRO 56 -9.405 4.977 -2.262 395 H GLY 57 HN GLY 57 -6.465 8.174 -6.127 396 HA2 GLY 57 HA2 GLY 57 -4.882 6.314 -7.449 397 HA3 GLY 57 HA1 GLY 57 -6.425 6.394 -8.292 398 H ASN 58 HN ASN 58 -4.850 7.098 -9.997 399 HA ASN 58 HA ASN 58 -3.669 9.693 -9.800 400 HB2 ASN 58 HB2 ASN 58 -4.225 8.060 -12.282 401 HB3 ASN 58 HB1 ASN 58 -3.073 9.381 -12.142 402 HD21 ASN 58 HD21 ASN 58 -1.123 9.018 -11.072 403 HD22 ASN 58 HD22 ASN 58 -0.555 7.434 -10.689 404 H ASP 59 HN ASP 59 -5.973 8.607 -12.254 405 HA ASP 59 HA ASP 59 -7.864 9.469 -13.158 406 HB2 ASP 59 HB2 ASP 59 -8.719 9.688 -10.858 407 HB3 ASP 59 HB1 ASP 59 -7.935 11.259 -10.715 408 H GLY 60 HN GLY 60 -6.970 10.262 -14.967 409 HA2 GLY 60 HA2 GLY 60 -7.183 12.870 -15.671 410 HA3 GLY 60 HA1 GLY 60 -5.562 12.755 -14.986 411 H SER 61 HN SER 61 -4.196 12.758 -16.581 412 HA SER 61 HA SER 61 -4.884 11.657 -19.196 413 HB2 SER 61 HB2 SER 61 -2.475 13.255 -18.286 414 HB3 SER 61 HB1 SER 61 -2.775 12.724 -19.933 415 HG SER 61 HG SER 61 -3.767 14.587 -20.043 416 H GLU 62 HN GLU 62 -3.496 10.457 -16.435 417 HA GLU 62 HA GLU 62 -1.390 8.874 -17.648 418 HB2 GLU 62 HB2 GLU 62 -2.605 8.890 -14.889 419 HB3 GLU 62 HB1 GLU 62 -1.315 7.800 -15.375 420 HG2 GLU 62 HG2 GLU 62 0.164 9.630 -15.803 421 HG3 GLU 62 HG1 GLU 62 -1.127 10.800 -15.509 422 H THR 63 HN THR 63 -4.701 8.651 -17.595 423 HA THR 63 HA THR 63 -4.801 5.752 -17.528 424 HB THR 63 HB THR 63 -7.052 7.717 -17.999 425 HG1 THR 63 HG1 THR 63 -6.451 6.455 -15.522 426 HG21 THR 63 HG21 THR 63 -7.085 4.871 -16.992 427 HG22 THR 63 HG22 THR 63 -7.468 5.363 -18.638 428 HG23 THR 63 HG23 THR 63 -8.485 5.900 -17.292 429 H ASN 64 HN ASN 64 -4.827 4.541 -19.381 430 HA ASN 64 HA ASN 64 -4.381 5.789 -21.902 431 HB2 ASN 64 HB2 ASN 64 -3.468 3.554 -21.367 432 HB3 ASN 64 HB1 ASN 64 -5.107 2.905 -21.339 433 HD21 ASN 64 HD21 ASN 64 -4.668 1.466 -23.019 434 HD22 ASN 64 HD22 ASN 64 -4.480 1.988 -24.650 435 H LEU 65 HN LEU 65 -5.788 6.389 -23.433 436 HA LEU 65 HA LEU 65 -8.613 6.165 -22.850 437 HB2 LEU 65 HB2 LEU 65 -7.162 7.674 -25.036 438 HB3 LEU 65 HB1 LEU 65 -8.895 7.728 -24.780 439 HG LEU 65 HG LEU 65 -8.055 9.728 -23.878 440 HD11 LEU 65 HD11 LEU 65 -9.718 8.729 -22.479 441 HD12 LEU 65 HD12 LEU 65 -8.529 9.595 -21.510 442 HD13 LEU 65 HD13 LEU 65 -8.477 7.839 -21.597 443 HD21 LEU 65 HD21 LEU 65 -5.686 9.055 -23.800 444 HD22 LEU 65 HD22 LEU 65 -5.999 8.164 -22.311 445 HD23 LEU 65 HD23 LEU 65 -6.206 9.917 -22.355 446 H GLY 66 HN GLY 66 -6.306 4.610 -24.841 447 HA2 GLY 66 HA2 GLY 66 -6.953 2.469 -25.783 448 HA3 GLY 66 HA1 GLY 66 -8.495 3.181 -26.208 449 H VAL 67 HN VAL 67 -6.852 1.787 -27.986 450 HA VAL 67 HA VAL 67 -5.529 3.741 -29.688 451 HB VAL 67 HB VAL 67 -5.965 0.798 -30.223 452 HG11 VAL 67 HG11 VAL 67 -3.943 2.744 -31.315 453 HG12 VAL 67 HG12 VAL 67 -5.351 2.119 -32.178 454 HG13 VAL 67 HG13 VAL 67 -4.045 1.028 -31.704 455 HG21 VAL 67 HG21 VAL 67 -4.752 1.133 -28.089 456 HG22 VAL 67 HG22 VAL 67 -3.551 2.099 -28.959 457 HG23 VAL 67 HG23 VAL 67 -3.756 0.386 -29.338 458 H ILE 68 HN ILE 68 -6.231 4.266 -31.783 459 HA ILE 68 HA ILE 68 -9.097 4.071 -32.121 460 HB ILE 68 HB ILE 68 -7.030 5.308 -33.978 461 HG12 ILE 68 HG12 ILE 68 -8.841 6.640 -31.955 462 HG13 ILE 68 HG11 ILE 68 -7.132 6.309 -31.712 463 HG21 ILE 68 HG21 ILE 68 -10.040 5.644 -33.911 464 HG22 ILE 68 HG22 ILE 68 -9.117 4.766 -35.132 465 HG23 ILE 68 HG23 ILE 68 -8.928 6.509 -34.979 466 HD11 ILE 68 HD11 ILE 68 -8.306 8.117 -33.808 467 HD12 ILE 68 HD12 ILE 68 -6.596 7.757 -33.596 468 HD13 ILE 68 HD13 ILE 68 -7.474 8.617 -32.333 469 H THR 69 HN THR 69 -9.723 2.074 -32.681 470 HA THR 69 HA THR 69 -8.699 0.955 -35.188 471 HB THR 69 HB THR 69 -8.873 -1.352 -34.111 472 HG1 THR 69 HG1 THR 69 -8.279 -0.442 -31.606 473 HG21 THR 69 HG21 THR 69 -6.624 -1.228 -33.062 474 HG22 THR 69 HG22 THR 69 -6.726 0.530 -33.117 475 HG23 THR 69 HG23 THR 69 -6.691 -0.396 -34.610 476 H ASN 70 HN ASN 70 -11.039 2.425 -34.677 477 HA ASN 70 HA ASN 70 -13.065 0.419 -35.188 478 HB2 ASN 70 HB2 ASN 70 -14.654 1.730 -33.702 479 HB3 ASN 70 HB1 ASN 70 -13.412 0.785 -32.894 480 HD21 ASN 70 HD21 ASN 70 -14.587 3.954 -33.572 481 HD22 ASN 70 HD22 ASN 70 -13.529 4.808 -32.505 Start of MODEL 10 1 H MET 1 HT1 MET 1 2.070 -6.658 -6.873 2 HA MET 1 HA MET 1 1.891 -4.830 -9.180 3 HB2 MET 1 HB2 MET 1 2.996 -7.640 -8.971 4 HB3 MET 1 HB1 MET 1 2.640 -6.834 -10.493 5 HG2 MET 1 HG2 MET 1 4.265 -5.085 -9.909 6 HG3 MET 1 HG1 MET 1 4.648 -5.969 -8.434 7 HE1 MET 1 HE1 MET 1 6.371 -9.183 -9.705 8 HE2 MET 1 HE2 MET 1 4.662 -9.017 -9.315 9 HE3 MET 1 HE3 MET 1 5.873 -8.221 -8.314 10 H GLY 2 HN GLY 2 -0.197 -4.654 -9.588 11 HA2 GLY 2 HA2 GLY 2 -2.233 -5.378 -10.426 12 HA3 GLY 2 HA1 GLY 2 -1.736 -7.040 -10.143 13 H LYS 3 HN LYS 3 -1.228 -5.153 -7.413 14 HA LYS 3 HA LYS 3 -3.215 -6.557 -5.932 15 HB2 LYS 3 HB2 LYS 3 -1.529 -4.164 -5.155 16 HB3 LYS 3 HB1 LYS 3 -2.513 -5.111 -4.046 17 HG2 LYS 3 HG2 LYS 3 -1.158 -7.077 -4.517 18 HG3 LYS 3 HG1 LYS 3 -0.162 -6.128 -5.625 19 HD2 LYS 3 HD2 LYS 3 0.460 -4.644 -3.740 20 HD3 LYS 3 HD1 LYS 3 -0.494 -5.663 -2.661 21 HE2 LYS 3 HE2 LYS 3 0.929 -7.577 -3.192 22 HE3 LYS 3 HE1 LYS 3 1.880 -6.570 -4.281 23 HZ1 LYS 3 HZ1 LYS 3 2.378 -5.149 -2.302 24 HZ2 LYS 3 HZ2 LYS 3 3.045 -6.701 -2.257 25 HZ3 LYS 3 HZ3 LYS 3 1.676 -6.353 -1.341 26 H ALA 4 HN ALA 4 -5.284 -6.117 -6.007 27 HA ALA 4 HA ALA 4 -6.182 -3.349 -5.909 28 HB1 ALA 4 HB1 ALA 4 -7.180 -5.311 -7.977 29 HB2 ALA 4 HB2 ALA 4 -6.158 -3.910 -8.303 30 HB3 ALA 4 HB3 ALA 4 -7.806 -3.682 -7.709 31 H TYR 5 HN TYR 5 -6.649 -3.975 -3.761 32 HA TYR 5 HA TYR 5 -9.112 -5.552 -3.552 33 HB2 TYR 5 HB2 TYR 5 -7.372 -6.873 -2.552 34 HB3 TYR 5 HB1 TYR 5 -6.782 -5.482 -1.642 35 HD1 TYR 5 HD1 TYR 5 -9.787 -7.667 -2.017 36 HD2 TYR 5 HD2 TYR 5 -7.529 -5.113 0.525 37 HE1 TYR 5 HE1 TYR 5 -11.237 -8.273 -0.126 38 HE2 TYR 5 HE2 TYR 5 -8.965 -5.711 2.424 39 HH TYR 5 HH TYR 5 -10.957 -8.326 2.461 40 H TYR 6 HN TYR 6 -10.742 -4.631 -2.564 41 HA TYR 6 HA TYR 6 -10.160 -2.339 -0.891 42 HB2 TYR 6 HB2 TYR 6 -12.275 -1.252 -1.698 43 HB3 TYR 6 HB1 TYR 6 -11.001 -1.359 -2.902 44 HD1 TYR 6 HD1 TYR 6 -14.386 -2.274 -2.031 45 HD2 TYR 6 HD2 TYR 6 -11.210 -3.006 -4.756 46 HE1 TYR 6 HE1 TYR 6 -15.979 -3.268 -3.616 47 HE2 TYR 6 HE2 TYR 6 -12.794 -4.008 -6.341 48 HH TYR 6 HH TYR 6 -16.120 -3.656 -6.054 49 H ASP 7 HN ASP 7 -11.208 -2.214 0.974 50 HA ASP 7 HA ASP 7 -12.456 -4.662 1.864 51 HB2 ASP 7 HB2 ASP 7 -10.630 -3.615 3.181 52 HB3 ASP 7 HB1 ASP 7 -11.602 -2.163 3.365 53 H ILE 8 HN ILE 8 -14.572 -4.808 1.534 54 HA ILE 8 HA ILE 8 -16.155 -2.387 1.302 55 HB ILE 8 HB ILE 8 -17.996 -3.808 0.493 56 HG12 ILE 8 HG12 ILE 8 -17.081 -5.918 1.726 57 HG13 ILE 8 HG11 ILE 8 -17.878 -6.124 0.175 58 HG21 ILE 8 HG21 ILE 8 -16.511 -2.762 -1.064 59 HG22 ILE 8 HG22 ILE 8 -16.995 -4.349 -1.670 60 HG23 ILE 8 HG23 ILE 8 -15.392 -4.121 -0.971 61 HD11 ILE 8 HD11 ILE 8 -14.901 -6.100 0.645 62 HD12 ILE 8 HD12 ILE 8 -15.698 -6.300 -0.912 63 HD13 ILE 8 HD13 ILE 8 -15.902 -7.518 0.346 64 H VAL 9 HN VAL 9 -17.830 -1.822 2.481 65 HA VAL 9 HA VAL 9 -18.354 -3.380 4.924 66 HB VAL 9 HB VAL 9 -18.813 -0.410 4.454 67 HG11 VAL 9 HG11 VAL 9 -19.025 -2.045 6.979 68 HG12 VAL 9 HG12 VAL 9 -20.367 -1.373 6.053 69 HG13 VAL 9 HG13 VAL 9 -19.226 -0.296 6.856 70 HG21 VAL 9 HG21 VAL 9 -16.434 -0.899 4.523 71 HG22 VAL 9 HG22 VAL 9 -16.637 -1.775 6.039 72 HG23 VAL 9 HG23 VAL 9 -16.929 -0.036 5.980 73 H GLY 10 HN GLY 10 -20.405 -4.135 5.168 74 HA2 GLY 10 HA2 GLY 10 -22.313 -3.291 3.093 75 HA3 GLY 10 HA1 GLY 10 -22.261 -4.905 3.792 76 H SER 11 HN SER 11 -23.796 -2.002 3.818 77 HA SER 11 HA SER 11 -25.363 -2.759 6.126 78 HB2 SER 11 HB2 SER 11 -24.074 -0.018 5.907 79 HB3 SER 11 HB1 SER 11 -25.219 -0.524 7.149 80 HG SER 11 HG SER 11 -23.176 -2.270 6.959 81 H ASP 12 HN ASP 12 -27.492 -2.227 5.840 82 HA ASP 12 HA ASP 12 -28.277 -1.452 3.204 83 HB2 ASP 12 HB2 ASP 12 -30.479 -1.999 3.827 84 HB3 ASP 12 HB1 ASP 12 -29.461 -3.135 4.706 85 H ASN 13 HN ASN 13 -27.482 0.447 5.848 86 HA ASN 13 HA ASN 13 -29.190 2.576 4.748 87 HB2 ASN 13 HB2 ASN 13 -27.831 2.345 7.409 88 HB3 ASN 13 HB1 ASN 13 -28.559 3.838 6.833 89 HD21 ASN 13 HD21 ASN 13 -29.282 2.284 9.151 90 HD22 ASN 13 HD22 ASN 13 -30.933 1.819 8.939 91 H ARG 14 HN ARG 14 -25.914 1.608 5.317 92 HA ARG 14 HA ARG 14 -25.052 3.910 3.759 93 HB2 ARG 14 HB2 ARG 14 -24.779 4.185 6.326 94 HB3 ARG 14 HB1 ARG 14 -23.469 3.027 6.138 95 HG2 ARG 14 HG2 ARG 14 -22.423 4.526 4.490 96 HG3 ARG 14 HG1 ARG 14 -23.691 5.712 4.818 97 HD2 ARG 14 HD2 ARG 14 -23.003 5.468 7.264 98 HD3 ARG 14 HD1 ARG 14 -21.553 4.689 6.627 99 HE ARG 14 HE ARG 14 -22.155 7.244 5.433 100 HH11 ARG 14 HH11 ARG 14 -20.324 5.576 7.935 101 HH12 ARG 14 HH12 ARG 14 -19.386 6.973 8.345 102 HH21 ARG 14 HH21 ARG 14 -20.934 9.077 5.996 103 HH22 ARG 14 HH22 ARG 14 -19.725 8.963 7.229 104 H TRP 15 HN TRP 15 -24.091 3.074 2.076 105 HA TRP 15 HA TRP 15 -22.600 0.574 2.427 106 HB2 TRP 15 HB2 TRP 15 -24.536 0.397 0.967 107 HB3 TRP 15 HB1 TRP 15 -23.970 1.750 0.004 108 HD1 TRP 15 HD1 TRP 15 -23.033 -1.917 0.793 109 HE1 TRP 15 HE1 TRP 15 -21.613 -2.838 -1.145 110 HE3 TRP 15 HE3 TRP 15 -22.540 2.351 -1.944 111 HZ2 TRP 15 HZ2 TRP 15 -20.442 -1.881 -3.521 112 HZ3 TRP 15 HZ3 TRP 15 -21.258 2.274 -4.046 113 HH2 TRP 15 HH2 TRP 15 -20.232 0.197 -4.813 114 H GLY 16 HN GLY 16 -20.440 0.593 2.036 115 HA2 GLY 16 HA2 GLY 16 -19.367 3.009 0.766 116 HA3 GLY 16 HA1 GLY 16 -18.829 2.572 2.375 117 H ILE 17 HN ILE 17 -17.600 2.836 -0.378 118 HA ILE 17 HA ILE 17 -16.244 0.235 -0.479 119 HB ILE 17 HB ILE 17 -16.154 2.554 -2.440 120 HG12 ILE 17 HG12 ILE 17 -18.317 1.324 -2.467 121 HG13 ILE 17 HG11 ILE 17 -17.413 1.050 -3.954 122 HG21 ILE 17 HG21 ILE 17 -14.921 1.021 -3.913 123 HG22 ILE 17 HG22 ILE 17 -14.864 -0.165 -2.609 124 HG23 ILE 17 HG23 ILE 17 -14.038 1.384 -2.428 125 HD11 ILE 17 HD11 ILE 17 -18.452 -0.993 -3.146 126 HD12 ILE 17 HD12 ILE 17 -17.580 -0.852 -1.620 127 HD13 ILE 17 HD13 ILE 17 -16.695 -1.126 -3.120 128 H ARG 18 HN ARG 18 -14.594 0.161 0.832 129 HA ARG 18 HA ARG 18 -12.924 2.525 1.263 130 HB2 ARG 18 HB2 ARG 18 -13.551 1.767 3.357 131 HB3 ARG 18 HB1 ARG 18 -13.625 0.092 2.846 132 HG2 ARG 18 HG2 ARG 18 -11.160 0.053 2.818 133 HG3 ARG 18 HG1 ARG 18 -11.153 1.686 3.515 134 HD2 ARG 18 HD2 ARG 18 -12.262 0.940 5.461 135 HD3 ARG 18 HD1 ARG 18 -12.671 -0.598 4.730 136 HE ARG 18 HE ARG 18 -10.858 -0.702 6.409 137 HH11 ARG 18 HH11 ARG 18 -9.546 0.331 3.266 138 HH12 ARG 18 HH12 ARG 18 -8.225 -0.777 3.353 139 HH21 ARG 18 HH21 ARG 18 -9.107 -2.171 6.392 140 HH22 ARG 18 HH22 ARG 18 -7.955 -2.151 5.086 141 H HIS 19 HN HIS 19 -11.192 2.585 -0.064 142 HA HIS 19 HA HIS 19 -10.249 0.150 -1.272 143 HB2 HIS 19 HB2 HIS 19 -10.259 2.255 -2.551 144 HB3 HIS 19 HB1 HIS 19 -9.121 2.963 -1.411 145 HD1 HIS 19 HD1 HIS 19 -9.327 0.439 -4.199 146 HD2 HIS 19 HD2 HIS 19 -6.446 2.257 -1.819 147 HE1 HIS 19 HE1 HIS 19 -7.119 -0.182 -5.221 148 H ASP 20 HN ASP 20 -8.784 -1.144 -0.501 149 HA ASP 20 HA ASP 20 -7.259 -0.367 1.845 150 HB2 ASP 20 HB2 ASP 20 -8.509 -2.594 1.586 151 HB3 ASP 20 HB1 ASP 20 -7.256 -3.044 0.435 152 H ASP 21 HN ASP 21 -5.394 0.698 1.427 153 HA ASP 21 HA ASP 21 -4.116 0.248 -1.158 154 HB2 ASP 21 HB2 ASP 21 -4.588 2.572 -0.373 155 HB3 ASP 21 HB1 ASP 21 -3.392 2.334 0.899 156 H ASP 22 HN ASP 22 -3.545 -0.329 2.223 157 HA ASP 22 HA ASP 22 -0.894 -1.317 1.506 158 HB2 ASP 22 HB2 ASP 22 -0.324 -1.348 3.888 159 HB3 ASP 22 HB1 ASP 22 -0.881 0.245 3.411 160 HA PRO 23 HA PRO 23 -2.624 -5.221 0.763 161 HB2 PRO 23 HB2 PRO 23 0.051 -6.099 1.724 162 HB3 PRO 23 HB1 PRO 23 -0.839 -6.567 0.273 163 HG2 PRO 23 HG2 PRO 23 1.172 -4.819 0.153 164 HG3 PRO 23 HG1 PRO 23 -0.267 -4.634 -0.864 165 HD2 PRO 23 HD2 PRO 23 0.580 -3.097 1.521 166 HD3 PRO 23 HD1 PRO 23 -0.412 -2.597 0.137 167 H THR 24 HN THR 24 -4.062 -6.010 2.083 168 HA THR 24 HA THR 24 -3.306 -6.902 4.758 169 HB THR 24 HB THR 24 -5.850 -7.404 4.863 170 HG1 THR 24 HG1 THR 24 -6.081 -5.470 2.825 171 HG21 THR 24 HG21 THR 24 -4.904 -4.551 4.543 172 HG22 THR 24 HG22 THR 24 -4.805 -5.509 6.022 173 HG23 THR 24 HG23 THR 24 -6.381 -5.058 5.363 174 H GLY 25 HN GLY 25 -4.268 -8.011 1.599 175 HA2 GLY 25 HA2 GLY 25 -3.775 -10.024 0.582 176 HA3 GLY 25 HA1 GLY 25 -3.140 -10.601 2.107 177 H ASP 26 HN ASP 26 -6.221 -9.494 2.736 178 HA ASP 26 HA ASP 26 -7.159 -12.265 2.602 179 HB2 ASP 26 HB2 ASP 26 -8.193 -9.970 4.260 180 HB3 ASP 26 HB1 ASP 26 -8.923 -11.570 4.188 181 H TYR 27 HN TYR 27 -8.113 -12.678 0.781 182 HA TYR 27 HA TYR 27 -10.666 -11.457 0.326 183 HB2 TYR 27 HB2 TYR 27 -10.290 -11.002 -2.076 184 HB3 TYR 27 HB1 TYR 27 -9.271 -9.988 -1.057 185 HD1 TYR 27 HD1 TYR 27 -9.343 -12.671 -3.545 186 HD2 TYR 27 HD2 TYR 27 -6.840 -10.331 -1.019 187 HE1 TYR 27 HE1 TYR 27 -7.379 -13.384 -4.841 188 HE2 TYR 27 HE2 TYR 27 -4.866 -11.043 -2.310 189 HH TYR 27 HH TYR 27 -4.125 -12.688 -3.815 190 H SER 28 HN SER 28 -12.085 -12.998 -0.242 191 HA SER 28 HA SER 28 -11.208 -15.670 -0.337 192 HB2 SER 28 HB2 SER 28 -13.918 -14.583 -1.136 193 HB3 SER 28 HB1 SER 28 -13.545 -16.243 -0.669 194 HG SER 28 HG SER 28 -12.854 -15.321 1.399 195 H SER 29 HN SER 29 -12.293 -13.375 -2.772 196 HA SER 29 HA SER 29 -10.845 -14.650 -4.858 197 HB2 SER 29 HB2 SER 29 -12.739 -16.182 -4.886 198 HB3 SER 29 HB1 SER 29 -13.876 -14.835 -4.899 199 HG SER 29 HG SER 29 -12.310 -15.881 -6.953 200 H LYS 30 HN LYS 30 -10.748 -13.327 -6.727 201 HA LYS 30 HA LYS 30 -11.023 -10.533 -6.299 202 HB2 LYS 30 HB2 LYS 30 -9.427 -11.641 -7.876 203 HB3 LYS 30 HB1 LYS 30 -10.792 -12.008 -8.919 204 HG2 LYS 30 HG2 LYS 30 -11.245 -9.582 -9.128 205 HG3 LYS 30 HG1 LYS 30 -9.792 -9.270 -8.176 206 HD2 LYS 30 HD2 LYS 30 -8.461 -10.486 -9.846 207 HD3 LYS 30 HD1 LYS 30 -9.937 -10.732 -10.784 208 HE2 LYS 30 HE2 LYS 30 -8.745 -8.880 -11.743 209 HE3 LYS 30 HE1 LYS 30 -10.188 -8.262 -10.944 210 HZ1 LYS 30 HZ1 LYS 30 -7.445 -8.225 -9.823 211 HZ2 LYS 30 HZ2 LYS 30 -8.828 -7.627 -9.058 212 HZ3 LYS 30 HZ3 LYS 30 -8.267 -6.905 -10.482 213 H GLU 31 HN GLU 31 -12.885 -12.866 -8.260 214 HA GLU 31 HA GLU 31 -14.701 -10.931 -9.218 215 HB2 GLU 31 HB2 GLU 31 -15.986 -12.740 -10.093 216 HB3 GLU 31 HB1 GLU 31 -14.286 -13.123 -10.338 217 HG2 GLU 31 HG2 GLU 31 -14.365 -14.586 -8.373 218 HG3 GLU 31 HG1 GLU 31 -16.075 -14.181 -8.189 219 H ALA 32 HN ALA 32 -14.660 -13.043 -6.411 220 HA ALA 32 HA ALA 32 -17.357 -12.736 -5.696 221 HB1 ALA 32 HB1 ALA 32 -15.000 -13.166 -3.884 222 HB2 ALA 32 HB2 ALA 32 -15.934 -14.433 -4.687 223 HB3 ALA 32 HB3 ALA 32 -16.695 -13.408 -3.464 224 H ALA 33 HN ALA 33 -14.514 -10.772 -5.085 225 HA ALA 33 HA ALA 33 -15.782 -9.054 -3.229 226 HB1 ALA 33 HB1 ALA 33 -13.337 -9.259 -3.388 227 HB2 ALA 33 HB2 ALA 33 -13.869 -7.587 -3.568 228 HB3 ALA 33 HB3 ALA 33 -13.384 -8.516 -4.989 229 H PHE 34 HN PHE 34 -14.948 -8.629 -6.703 230 HA PHE 34 HA PHE 34 -16.329 -6.186 -6.922 231 HB2 PHE 34 HB2 PHE 34 -15.477 -8.174 -9.004 232 HB3 PHE 34 HB1 PHE 34 -16.261 -6.647 -9.405 233 HD1 PHE 34 HD1 PHE 34 -13.235 -8.257 -8.270 234 HD2 PHE 34 HD2 PHE 34 -15.180 -4.526 -8.889 235 HE1 PHE 34 HE1 PHE 34 -11.063 -7.128 -8.095 236 HE2 PHE 34 HE2 PHE 34 -12.980 -3.372 -8.733 237 HZ PHE 34 HZ PHE 34 -10.930 -4.693 -8.320 238 H GLU 35 HN GLU 35 -17.385 -9.480 -7.649 239 HA GLU 35 HA GLU 35 -19.814 -8.894 -8.830 240 HB2 GLU 35 HB2 GLU 35 -18.851 -11.114 -8.898 241 HB3 GLU 35 HB1 GLU 35 -19.048 -11.278 -7.159 242 HG2 GLU 35 HG2 GLU 35 -21.468 -11.191 -7.412 243 HG3 GLU 35 HG1 GLU 35 -21.281 -10.997 -9.155 244 H ALA 36 HN ALA 36 -19.158 -9.697 -5.427 245 HA ALA 36 HA ALA 36 -21.822 -9.263 -4.596 246 HB1 ALA 36 HB1 ALA 36 -19.300 -9.230 -2.959 247 HB2 ALA 36 HB2 ALA 36 -20.304 -10.638 -3.306 248 HB3 ALA 36 HB3 ALA 36 -20.942 -9.318 -2.326 249 H ALA 37 HN ALA 37 -18.947 -7.207 -4.632 250 HA ALA 37 HA ALA 37 -19.999 -5.074 -3.170 251 HB1 ALA 37 HB1 ALA 37 -18.196 -3.756 -4.074 252 HB2 ALA 37 HB2 ALA 37 -17.963 -4.927 -5.379 253 HB3 ALA 37 HB3 ALA 37 -17.614 -5.386 -3.715 254 H CYS 38 HN CYS 38 -19.869 -5.519 -6.722 255 HA CYS 38 HA CYS 38 -21.317 -3.165 -7.219 256 HB2 CYS 38 HB2 CYS 38 -21.613 -3.973 -9.506 257 HB3 CYS 38 HB1 CYS 38 -19.948 -4.094 -8.949 258 HG CYS 38 HG CYS 38 -19.923 -6.818 -8.667 259 H ALA 39 HN ALA 39 -22.297 -6.499 -6.664 260 HA ALA 39 HA ALA 39 -24.999 -6.307 -7.387 261 HB1 ALA 39 HB1 ALA 39 -25.365 -8.239 -5.924 262 HB2 ALA 39 HB2 ALA 39 -23.778 -7.997 -5.199 263 HB3 ALA 39 HB3 ALA 39 -23.913 -8.449 -6.900 264 H ALA 40 HN ALA 40 -23.414 -5.830 -4.250 265 HA ALA 40 HA ALA 40 -25.710 -4.965 -2.828 266 HB1 ALA 40 HB1 ALA 40 -24.148 -4.122 -1.165 267 HB2 ALA 40 HB2 ALA 40 -22.822 -4.251 -2.321 268 HB3 ALA 40 HB3 ALA 40 -23.624 -5.706 -1.737 269 H ALA 41 HN ALA 41 -23.356 -3.289 -4.799 270 HA ALA 41 HA ALA 41 -24.020 -0.647 -4.173 271 HB1 ALA 41 HB1 ALA 41 -22.044 -1.289 -5.479 272 HB2 ALA 41 HB2 ALA 41 -23.004 -0.048 -6.289 273 HB3 ALA 41 HB3 ALA 41 -23.099 -1.726 -6.825 274 H SER 42 HN SER 42 -25.394 -2.873 -6.545 275 HA SER 42 HA SER 42 -27.027 -1.024 -7.821 276 HB2 SER 42 HB2 SER 42 -27.560 -3.968 -7.415 277 HB3 SER 42 HB1 SER 42 -28.321 -2.921 -8.618 278 HG SER 42 HG SER 42 -25.547 -3.552 -8.438 279 H ASN 43 HN ASN 43 -27.679 -3.206 -5.090 280 HA ASN 43 HA ASN 43 -30.354 -2.442 -4.626 281 HB2 ASN 43 HB2 ASN 43 -29.397 -4.472 -3.634 282 HB3 ASN 43 HB1 ASN 43 -28.278 -3.507 -2.678 283 HD21 ASN 43 HD21 ASN 43 -28.981 -4.132 -0.680 284 HD22 ASN 43 HD22 ASN 43 -30.553 -3.762 -0.060 285 H ALA 44 HN ALA 44 -27.284 -1.292 -3.324 286 HA ALA 44 HA ALA 44 -28.335 0.419 -1.401 287 HB1 ALA 44 HB1 ALA 44 -25.709 0.691 -2.850 288 HB2 ALA 44 HB2 ALA 44 -26.007 -0.337 -1.448 289 HB3 ALA 44 HB3 ALA 44 -26.135 1.416 -1.300 290 H ILE 45 HN ILE 45 -27.190 1.190 -4.701 291 HA ILE 45 HA ILE 45 -27.876 3.932 -4.408 292 HB ILE 45 HB ILE 45 -26.085 3.196 -5.971 293 HG12 ILE 45 HG12 ILE 45 -26.696 4.747 -7.821 294 HG13 ILE 45 HG11 ILE 45 -28.348 4.768 -7.218 295 HG21 ILE 45 HG21 ILE 45 -26.686 2.341 -8.192 296 HG22 ILE 45 HG22 ILE 45 -28.369 2.206 -7.671 297 HG23 ILE 45 HG23 ILE 45 -27.126 1.221 -6.901 298 HD11 ILE 45 HD11 ILE 45 -27.093 6.743 -6.541 299 HD12 ILE 45 HD12 ILE 45 -25.919 5.719 -5.711 300 HD13 ILE 45 HD13 ILE 45 -27.590 5.783 -5.150 301 H LYS 46 HN LYS 46 -29.529 1.180 -5.843 302 HA LYS 46 HA LYS 46 -31.563 2.632 -7.101 303 HB2 LYS 46 HB2 LYS 46 -31.022 0.147 -7.342 304 HB3 LYS 46 HB1 LYS 46 -31.993 -0.079 -5.892 305 HG2 LYS 46 HG2 LYS 46 -33.928 0.856 -6.991 306 HG3 LYS 46 HG1 LYS 46 -32.973 1.211 -8.427 307 HD2 LYS 46 HD2 LYS 46 -34.217 -0.781 -8.847 308 HD3 LYS 46 HD1 LYS 46 -32.529 -1.243 -8.635 309 HE2 LYS 46 HE2 LYS 46 -32.961 -1.953 -6.368 310 HE3 LYS 46 HE1 LYS 46 -34.618 -1.367 -6.464 311 HZ1 LYS 46 HZ1 LYS 46 -34.565 -3.729 -6.767 312 HZ2 LYS 46 HZ2 LYS 46 -33.458 -3.604 -8.027 313 HZ3 LYS 46 HZ3 LYS 46 -35.025 -2.995 -8.214 314 H PHE 47 HN PHE 47 -31.164 1.527 -3.800 315 HA PHE 47 HA PHE 47 -33.870 2.224 -3.070 316 HB2 PHE 47 HB2 PHE 47 -32.316 0.295 -2.146 317 HB3 PHE 47 HB1 PHE 47 -31.783 1.555 -1.041 318 HD1 PHE 47 HD1 PHE 47 -34.423 -0.747 -1.905 319 HD2 PHE 47 HD2 PHE 47 -33.452 2.632 0.482 320 HE1 PHE 47 HE1 PHE 47 -36.397 -1.176 -0.502 321 HE2 PHE 47 HE2 PHE 47 -35.423 2.210 1.890 322 HZ PHE 47 HZ PHE 47 -36.896 0.307 1.397 323 H GLY 48 HN GLY 48 -30.925 3.889 -3.298 324 HA2 GLY 48 HA2 GLY 48 -30.591 6.172 -2.824 325 HA3 GLY 48 HA1 GLY 48 -32.061 6.163 -1.858 326 H HIS 49 HN HIS 49 -29.856 3.639 -1.298 327 HA HIS 49 HA HIS 49 -29.340 4.379 1.394 328 HB2 HIS 49 HB2 HIS 49 -27.989 2.386 -0.429 329 HB3 HIS 49 HB1 HIS 49 -27.664 2.527 1.296 330 HD2 HIS 49 HD2 HIS 49 -31.143 2.859 1.721 331 HE1 HIS 49 HE1 HIS 49 -30.827 -1.273 0.808 332 HE2 HIS 49 HE2 HIS 49 -32.087 0.488 2.087 333 H GLU 50 HN GLU 50 -27.519 5.406 2.252 334 HA GLU 50 HA GLU 50 -26.239 7.262 0.607 335 HB2 GLU 50 HB2 GLU 50 -26.470 7.594 2.987 336 HB3 GLU 50 HB1 GLU 50 -25.395 6.235 3.315 337 HG2 GLU 50 HG2 GLU 50 -23.565 7.443 2.179 338 HG3 GLU 50 HG1 GLU 50 -24.654 8.800 1.910 339 H VAL 51 HN VAL 51 -24.600 7.106 -0.723 340 HA VAL 51 HA VAL 51 -23.038 4.634 -0.707 341 HB VAL 51 HB VAL 51 -24.244 4.913 -2.787 342 HG11 VAL 51 HG11 VAL 51 -24.627 7.318 -2.689 343 HG12 VAL 51 HG12 VAL 51 -23.941 6.849 -4.245 344 HG13 VAL 51 HG13 VAL 51 -22.922 7.613 -3.024 345 HG21 VAL 51 HG21 VAL 51 -22.013 3.985 -3.000 346 HG22 VAL 51 HG22 VAL 51 -21.328 5.602 -3.148 347 HG23 VAL 51 HG23 VAL 51 -22.388 4.972 -4.411 348 H ARG 52 HN ARG 52 -21.015 4.725 -0.113 349 HA ARG 52 HA ARG 52 -19.583 7.272 -0.399 350 HB2 ARG 52 HB2 ARG 52 -19.364 5.277 1.859 351 HB3 ARG 52 HB1 ARG 52 -18.308 6.672 1.646 352 HG2 ARG 52 HG2 ARG 52 -21.288 6.803 2.042 353 HG3 ARG 52 HG1 ARG 52 -20.076 7.055 3.303 354 HD2 ARG 52 HD2 ARG 52 -19.205 8.974 2.175 355 HD3 ARG 52 HD1 ARG 52 -20.209 8.666 0.761 356 HE ARG 52 HE ARG 52 -21.433 9.249 3.357 357 HH11 ARG 52 HH11 ARG 52 -20.907 10.047 -0.013 358 HH12 ARG 52 HH12 ARG 52 -22.157 11.246 -0.061 359 HH21 ARG 52 HH21 ARG 52 -23.106 10.845 3.288 360 HH22 ARG 52 HH22 ARG 52 -23.405 11.699 1.812 361 H ILE 53 HN ILE 53 -17.677 7.190 -1.303 362 HA ILE 53 HA ILE 53 -16.432 4.601 -1.729 363 HB ILE 53 HB ILE 53 -15.762 5.354 -4.056 364 HG12 ILE 53 HG12 ILE 53 -16.525 7.782 -3.666 365 HG13 ILE 53 HG11 ILE 53 -16.920 7.067 -5.221 366 HG21 ILE 53 HG21 ILE 53 -17.848 4.599 -5.118 367 HG22 ILE 53 HG22 ILE 53 -18.668 4.765 -3.561 368 HG23 ILE 53 HG23 ILE 53 -17.358 3.597 -3.749 369 HD11 ILE 53 HD11 ILE 53 -18.768 8.376 -4.376 370 HD12 ILE 53 HD12 ILE 53 -18.794 7.424 -2.889 371 HD13 ILE 53 HD13 ILE 53 -19.214 6.669 -4.430 372 H THR 54 HN THR 54 -14.498 4.710 -0.897 373 HA THR 54 HA THR 54 -13.192 7.325 -0.922 374 HB THR 54 HB THR 54 -12.137 6.632 1.269 375 HG1 THR 54 HG1 THR 54 -13.587 4.406 0.741 376 HG21 THR 54 HG21 THR 54 -13.965 8.278 1.151 377 HG22 THR 54 HG22 THR 54 -14.087 7.294 2.608 378 HG23 THR 54 HG23 THR 54 -15.150 6.973 1.240 379 H VAL 55 HN VAL 55 -11.840 7.054 -2.540 380 HA VAL 55 HA VAL 55 -9.863 4.876 -2.341 381 HB VAL 55 HB VAL 55 -10.527 6.480 -4.827 382 HG11 VAL 55 HG11 VAL 55 -8.263 5.557 -4.770 383 HG12 VAL 55 HG12 VAL 55 -9.249 4.765 -5.999 384 HG13 VAL 55 HG13 VAL 55 -8.925 3.951 -4.470 385 HG21 VAL 55 HG21 VAL 55 -11.682 4.467 -5.635 386 HG22 VAL 55 HG22 VAL 55 -12.453 5.129 -4.200 387 HG23 VAL 55 HG23 VAL 55 -11.427 3.703 -4.069 388 HA PRO 56 HA PRO 56 -7.439 8.621 -1.512 389 HB2 PRO 56 HB2 PRO 56 -6.025 7.631 0.553 390 HB3 PRO 56 HB1 PRO 56 -7.686 8.211 0.740 391 HG2 PRO 56 HG2 PRO 56 -6.656 5.445 0.723 392 HG3 PRO 56 HG1 PRO 56 -8.114 6.106 1.473 393 HD2 PRO 56 HD2 PRO 56 -7.911 4.693 -1.004 394 HD3 PRO 56 HD1 PRO 56 -9.357 5.430 -0.290 395 H GLY 57 HN GLY 57 -5.064 8.994 -1.503 396 HA2 GLY 57 HA2 GLY 57 -3.751 7.535 -3.548 397 HA3 GLY 57 HA1 GLY 57 -3.012 8.743 -2.508 398 H ASN 58 HN ASN 58 -2.228 8.073 -0.429 399 HA ASN 58 HA ASN 58 -1.807 5.179 -0.190 400 HB2 ASN 58 HB2 ASN 58 0.481 5.673 0.733 401 HB3 ASN 58 HB1 ASN 58 0.290 5.978 -0.987 402 HD21 ASN 58 HD21 ASN 58 1.981 7.402 -1.090 403 HD22 ASN 58 HD22 ASN 58 1.950 8.977 -0.376 404 H ASP 59 HN ASP 59 -3.484 7.405 1.060 405 HA ASP 59 HA ASP 59 -2.732 7.218 3.859 406 HB2 ASP 59 HB2 ASP 59 -5.131 8.550 2.571 407 HB3 ASP 59 HB1 ASP 59 -4.634 8.711 4.249 408 H GLY 60 HN GLY 60 -3.855 6.047 5.384 409 HA2 GLY 60 HA2 GLY 60 -6.300 5.152 5.651 410 HA3 GLY 60 HA1 GLY 60 -5.795 4.128 4.315 411 H SER 61 HN SER 61 -3.019 4.069 5.525 412 HA SER 61 HA SER 61 -3.353 1.659 6.926 413 HB2 SER 61 HB2 SER 61 -0.918 3.429 6.835 414 HB3 SER 61 HB1 SER 61 -0.959 1.702 7.200 415 HG SER 61 HG SER 61 -2.042 1.587 5.007 416 H GLU 62 HN GLU 62 -4.453 1.698 8.746 417 HA GLU 62 HA GLU 62 -5.030 1.983 10.888 418 HB2 GLU 62 HB2 GLU 62 -2.789 1.047 11.259 419 HB3 GLU 62 HB1 GLU 62 -2.112 2.669 11.264 420 HG2 GLU 62 HG2 GLU 62 -2.337 1.833 13.523 421 HG3 GLU 62 HG1 GLU 62 -3.413 3.204 13.266 422 H THR 63 HN THR 63 -6.318 3.837 10.146 423 HA THR 63 HA THR 63 -5.358 6.400 11.135 424 HB THR 63 HB THR 63 -7.620 7.224 10.382 425 HG1 THR 63 HG1 THR 63 -8.513 4.973 10.546 426 HG21 THR 63 HG21 THR 63 -5.665 7.361 8.885 427 HG22 THR 63 HG22 THR 63 -7.155 7.080 7.982 428 HG23 THR 63 HG23 THR 63 -6.031 5.752 8.268 429 H ASN 64 HN ASN 64 -5.537 6.771 13.248 430 HA ASN 64 HA ASN 64 -6.954 5.041 14.959 431 HB2 ASN 64 HB2 ASN 64 -5.662 7.715 15.484 432 HB3 ASN 64 HB1 ASN 64 -6.398 6.735 16.744 433 HD21 ASN 64 HD21 ASN 64 -5.508 4.205 15.491 434 HD22 ASN 64 HD22 ASN 64 -3.818 4.107 15.820 435 H LEU 65 HN LEU 65 -9.038 4.894 14.839 436 HA LEU 65 HA LEU 65 -10.663 7.333 15.088 437 HB2 LEU 65 HB2 LEU 65 -10.860 6.174 12.893 438 HB3 LEU 65 HB1 LEU 65 -11.376 4.727 13.732 439 HG LEU 65 HG LEU 65 -13.385 5.963 14.542 440 HD11 LEU 65 HD11 LEU 65 -12.421 8.105 12.654 441 HD12 LEU 65 HD12 LEU 65 -12.491 8.223 14.411 442 HD13 LEU 65 HD13 LEU 65 -13.980 8.075 13.482 443 HD21 LEU 65 HD21 LEU 65 -14.549 5.943 12.376 444 HD22 LEU 65 HD22 LEU 65 -13.525 4.530 12.586 445 HD23 LEU 65 HD23 LEU 65 -12.996 5.849 11.550 446 H GLY 66 HN GLY 66 -9.473 4.913 16.814 447 HA2 GLY 66 HA2 GLY 66 -10.243 4.413 19.021 448 HA3 GLY 66 HA1 GLY 66 -11.897 4.613 18.450 449 H VAL 67 HN VAL 67 -9.047 2.556 18.153 450 HA VAL 67 HA VAL 67 -10.563 0.490 16.827 451 HB VAL 67 HB VAL 67 -8.426 -0.794 16.876 452 HG11 VAL 67 HG11 VAL 67 -8.242 2.018 15.787 453 HG12 VAL 67 HG12 VAL 67 -8.987 0.634 14.977 454 HG13 VAL 67 HG13 VAL 67 -7.246 0.652 15.279 455 HG21 VAL 67 HG21 VAL 67 -6.366 0.365 17.560 456 HG22 VAL 67 HG22 VAL 67 -7.461 0.128 18.921 457 HG23 VAL 67 HG23 VAL 67 -7.329 1.714 18.161 458 H ILE 68 HN ILE 68 -11.158 -1.454 17.633 459 HA ILE 68 HA ILE 68 -11.384 -1.565 20.513 460 HB ILE 68 HB ILE 68 -13.421 -2.010 19.344 461 HG12 ILE 68 HG12 ILE 68 -12.350 -4.652 20.361 462 HG13 ILE 68 HG11 ILE 68 -12.954 -3.359 21.391 463 HG21 ILE 68 HG21 ILE 68 -12.515 -2.686 17.194 464 HG22 ILE 68 HG22 ILE 68 -13.705 -3.854 17.765 465 HG23 ILE 68 HG23 ILE 68 -11.983 -4.219 17.882 466 HD11 ILE 68 HD11 ILE 68 -15.167 -3.592 20.359 467 HD12 ILE 68 HD12 ILE 68 -14.619 -5.093 21.109 468 HD13 ILE 68 HD13 ILE 68 -14.550 -4.912 19.358 469 H THR 69 HN THR 69 -10.072 -2.655 21.751 470 HA THR 69 HA THR 69 -8.452 -4.785 20.584 471 HB THR 69 HB THR 69 -7.068 -3.113 21.609 472 HG1 THR 69 HG1 THR 69 -6.864 -4.787 23.751 473 HG21 THR 69 HG21 THR 69 -7.284 -2.465 23.974 474 HG22 THR 69 HG22 THR 69 -8.747 -3.440 24.100 475 HG23 THR 69 HG23 THR 69 -8.715 -2.029 23.042 476 H ASN 70 HN ASN 70 -9.121 -6.782 20.920 477 HA ASN 70 HA ASN 70 -10.074 -7.605 23.485 478 HB2 ASN 70 HB2 ASN 70 -12.233 -8.509 22.765 479 HB3 ASN 70 HB1 ASN 70 -12.179 -6.766 22.563 480 HD21 ASN 70 HD21 ASN 70 -10.709 -6.812 20.072 481 HD22 ASN 70 HD22 ASN 70 -11.788 -7.411 18.863 Start of MODEL 11 1 H MET 1 HT1 MET 1 -2.719 -5.395 -12.983 2 HA MET 1 HA MET 1 -0.816 -4.307 -12.116 3 HB2 MET 1 HB2 MET 1 -2.672 -3.500 -9.873 4 HB3 MET 1 HB1 MET 1 -0.925 -3.375 -9.783 5 HG2 MET 1 HG2 MET 1 -0.957 -1.837 -11.704 6 HG3 MET 1 HG1 MET 1 -2.719 -1.934 -11.725 7 HE1 MET 1 HE1 MET 1 -4.297 -0.828 -9.981 8 HE2 MET 1 HE2 MET 1 -3.753 -0.158 -8.440 9 HE3 MET 1 HE3 MET 1 -3.605 -1.887 -8.754 10 H GLY 2 HN GLY 2 -3.224 -5.911 -10.023 11 HA2 GLY 2 HA2 GLY 2 -2.535 -8.402 -9.912 12 HA3 GLY 2 HA1 GLY 2 -1.104 -7.732 -9.144 13 H LYS 3 HN LYS 3 -1.134 -7.840 -7.041 14 HA LYS 3 HA LYS 3 -3.431 -8.514 -5.550 15 HB2 LYS 3 HB2 LYS 3 -1.225 -9.203 -4.828 16 HB3 LYS 3 HB1 LYS 3 -0.709 -7.533 -4.679 17 HG2 LYS 3 HG2 LYS 3 -2.139 -7.192 -2.784 18 HG3 LYS 3 HG1 LYS 3 -2.880 -8.783 -3.000 19 HD2 LYS 3 HD2 LYS 3 -0.724 -9.855 -2.541 20 HD3 LYS 3 HD1 LYS 3 0.031 -8.274 -2.357 21 HE2 LYS 3 HE2 LYS 3 -2.294 -9.134 -0.658 22 HE3 LYS 3 HE1 LYS 3 -0.630 -9.529 -0.230 23 HZ1 LYS 3 HZ1 LYS 3 -0.085 -7.241 -0.111 24 HZ2 LYS 3 HZ2 LYS 3 -1.482 -7.451 0.817 25 HZ3 LYS 3 HZ3 LYS 3 -1.578 -6.763 -0.728 26 H ALA 4 HN ALA 4 -5.059 -7.210 -5.371 27 HA ALA 4 HA ALA 4 -4.734 -4.621 -4.116 28 HB1 ALA 4 HB1 ALA 4 -6.046 -3.435 -5.798 29 HB2 ALA 4 HB2 ALA 4 -6.161 -4.906 -6.766 30 HB3 ALA 4 HB3 ALA 4 -4.598 -4.122 -6.534 31 H TYR 5 HN TYR 5 -6.112 -4.706 -2.493 32 HA TYR 5 HA TYR 5 -8.581 -6.252 -2.832 33 HB2 TYR 5 HB2 TYR 5 -7.148 -7.367 -1.262 34 HB3 TYR 5 HB1 TYR 5 -6.855 -5.869 -0.388 35 HD1 TYR 5 HD1 TYR 5 -9.815 -7.926 -1.440 36 HD2 TYR 5 HD2 TYR 5 -7.927 -5.670 1.628 37 HE1 TYR 5 HE1 TYR 5 -11.676 -8.451 0.085 38 HE2 TYR 5 HE2 TYR 5 -9.769 -6.186 3.161 39 HH TYR 5 HH TYR 5 -12.076 -6.830 3.097 40 H TYR 6 HN TYR 6 -10.472 -5.371 -2.295 41 HA TYR 6 HA TYR 6 -10.466 -2.688 -1.092 42 HB2 TYR 6 HB2 TYR 6 -12.233 -3.879 -3.227 43 HB3 TYR 6 HB1 TYR 6 -12.721 -2.469 -2.292 44 HD1 TYR 6 HD1 TYR 6 -10.016 -3.723 -4.519 45 HD2 TYR 6 HD2 TYR 6 -12.043 -0.347 -2.922 46 HE1 TYR 6 HE1 TYR 6 -8.768 -2.262 -6.047 47 HE2 TYR 6 HE2 TYR 6 -10.806 1.120 -4.449 48 HH TYR 6 HH TYR 6 -9.091 0.029 -7.086 49 H ASP 7 HN ASP 7 -11.161 -2.775 0.899 50 HA ASP 7 HA ASP 7 -12.893 -4.945 1.678 51 HB2 ASP 7 HB2 ASP 7 -10.938 -4.569 3.109 52 HB3 ASP 7 HB1 ASP 7 -11.422 -2.898 3.373 53 H ILE 8 HN ILE 8 -15.017 -4.681 1.814 54 HA ILE 8 HA ILE 8 -15.992 -1.921 1.770 55 HB ILE 8 HB ILE 8 -18.074 -2.795 0.763 56 HG12 ILE 8 HG12 ILE 8 -16.542 -5.396 0.481 57 HG13 ILE 8 HG11 ILE 8 -17.866 -5.129 1.608 58 HG21 ILE 8 HG21 ILE 8 -17.165 -3.107 -1.468 59 HG22 ILE 8 HG22 ILE 8 -15.573 -3.444 -0.790 60 HG23 ILE 8 HG23 ILE 8 -16.288 -1.843 -0.606 61 HD11 ILE 8 HD11 ILE 8 -18.034 -5.025 -1.393 62 HD12 ILE 8 HD12 ILE 8 -19.365 -4.714 -0.283 63 HD13 ILE 8 HD13 ILE 8 -18.635 -6.316 -0.352 64 H VAL 9 HN VAL 9 -17.829 -1.347 2.890 65 HA VAL 9 HA VAL 9 -18.364 -3.012 5.256 66 HB VAL 9 HB VAL 9 -19.248 -0.898 6.303 67 HG11 VAL 9 HG11 VAL 9 -17.049 0.085 6.761 68 HG12 VAL 9 HG12 VAL 9 -16.368 -0.838 5.422 69 HG13 VAL 9 HG13 VAL 9 -17.019 -1.678 6.829 70 HG21 VAL 9 HG21 VAL 9 -19.685 0.322 4.195 71 HG22 VAL 9 HG22 VAL 9 -17.944 0.473 3.948 72 HG23 VAL 9 HG23 VAL 9 -18.709 1.253 5.331 73 H GLY 10 HN GLY 10 -20.449 -3.626 5.689 74 HA2 GLY 10 HA2 GLY 10 -22.238 -3.067 3.436 75 HA3 GLY 10 HA1 GLY 10 -22.203 -4.587 4.316 76 H SER 11 HN SER 11 -23.804 -1.827 3.822 77 HA SER 11 HA SER 11 -25.674 -2.348 5.934 78 HB2 SER 11 HB2 SER 11 -24.191 -0.795 7.083 79 HB3 SER 11 HB1 SER 11 -24.205 0.280 5.684 80 HG SER 11 HG SER 11 -25.979 0.100 7.741 81 H ASP 12 HN ASP 12 -27.703 -2.006 5.094 82 HA ASP 12 HA ASP 12 -27.905 -1.173 2.382 83 HB2 ASP 12 HB2 ASP 12 -30.349 -1.470 2.660 84 HB3 ASP 12 HB1 ASP 12 -29.418 -2.875 3.155 85 H ASN 13 HN ASN 13 -27.748 0.603 5.219 86 HA ASN 13 HA ASN 13 -29.171 2.849 3.961 87 HB2 ASN 13 HB2 ASN 13 -28.304 2.381 6.807 88 HB3 ASN 13 HB1 ASN 13 -28.818 3.961 6.232 89 HD21 ASN 13 HD21 ASN 13 -30.838 2.805 4.424 90 HD22 ASN 13 HD22 ASN 13 -32.131 2.287 5.445 91 H ARG 14 HN ARG 14 -26.046 1.759 5.077 92 HA ARG 14 HA ARG 14 -24.864 4.009 3.626 93 HB2 ARG 14 HB2 ARG 14 -23.869 3.062 6.295 94 HB3 ARG 14 HB1 ARG 14 -23.139 4.296 5.286 95 HG2 ARG 14 HG2 ARG 14 -25.331 5.545 5.564 96 HG3 ARG 14 HG1 ARG 14 -25.638 4.410 6.890 97 HD2 ARG 14 HD2 ARG 14 -24.539 6.159 7.946 98 HD3 ARG 14 HD1 ARG 14 -23.281 4.953 7.611 99 HE ARG 14 HE ARG 14 -23.412 6.711 5.447 100 HH11 ARG 14 HH11 ARG 14 -22.197 6.606 8.734 101 HH12 ARG 14 HH12 ARG 14 -21.166 7.979 8.517 102 HH21 ARG 14 HH21 ARG 14 -22.138 8.526 5.170 103 HH22 ARG 14 HH22 ARG 14 -21.105 9.077 6.464 104 H TRP 15 HN TRP 15 -23.770 3.037 2.082 105 HA TRP 15 HA TRP 15 -22.161 0.763 2.926 106 HB2 TRP 15 HB2 TRP 15 -24.242 0.185 1.614 107 HB3 TRP 15 HB1 TRP 15 -23.482 0.962 0.232 108 HD1 TRP 15 HD1 TRP 15 -20.701 -0.100 0.053 109 HE1 TRP 15 HE1 TRP 15 -20.097 -2.595 -0.158 110 HE3 TRP 15 HE3 TRP 15 -25.005 -2.116 1.896 111 HZ2 TRP 15 HZ2 TRP 15 -21.295 -5.093 0.399 112 HZ3 TRP 15 HZ3 TRP 15 -25.204 -4.566 2.029 113 HH2 TRP 15 HH2 TRP 15 -23.387 -6.022 1.290 114 H GLY 16 HN GLY 16 -20.126 0.968 2.465 115 HA2 GLY 16 HA2 GLY 16 -19.396 3.200 0.711 116 HA3 GLY 16 HA1 GLY 16 -18.660 2.958 2.287 117 H ILE 17 HN ILE 17 -17.661 2.979 -0.548 118 HA ILE 17 HA ILE 17 -16.401 0.335 -0.605 119 HB ILE 17 HB ILE 17 -16.396 2.515 -2.721 120 HG12 ILE 17 HG12 ILE 17 -17.769 0.620 -3.955 121 HG13 ILE 17 HG11 ILE 17 -18.121 0.085 -2.316 122 HG21 ILE 17 HG21 ILE 17 -15.392 -0.323 -2.869 123 HG22 ILE 17 HG22 ILE 17 -14.392 1.126 -2.803 124 HG23 ILE 17 HG23 ILE 17 -15.425 0.833 -4.203 125 HD11 ILE 17 HD11 ILE 17 -19.112 2.248 -1.810 126 HD12 ILE 17 HD12 ILE 17 -19.892 1.488 -3.198 127 HD13 ILE 17 HD13 ILE 17 -18.741 2.802 -3.447 128 H ARG 18 HN ARG 18 -14.587 0.273 0.546 129 HA ARG 18 HA ARG 18 -12.852 2.623 0.487 130 HB2 ARG 18 HB2 ARG 18 -13.275 2.809 2.683 131 HB3 ARG 18 HB1 ARG 18 -14.040 1.239 2.734 132 HG2 ARG 18 HG2 ARG 18 -11.084 1.215 2.706 133 HG3 ARG 18 HG1 ARG 18 -11.843 1.891 4.154 134 HD2 ARG 18 HD2 ARG 18 -13.332 -0.183 4.121 135 HD3 ARG 18 HD1 ARG 18 -12.193 -0.853 2.966 136 HE ARG 18 HE ARG 18 -11.846 -0.493 5.813 137 HH11 ARG 18 HH11 ARG 18 -10.120 -0.992 2.814 138 HH12 ARG 18 HH12 ARG 18 -8.903 -1.989 3.560 139 HH21 ARG 18 HH21 ARG 18 -10.296 -1.897 6.728 140 HH22 ARG 18 HH22 ARG 18 -8.980 -2.474 5.759 141 H HIS 19 HN HIS 19 -10.961 2.384 -0.310 142 HA HIS 19 HA HIS 19 -9.958 -0.158 -1.162 143 HB2 HIS 19 HB2 HIS 19 -9.545 1.960 -2.428 144 HB3 HIS 19 HB1 HIS 19 -8.622 2.575 -1.071 145 HD1 HIS 19 HD1 HIS 19 -8.181 0.975 -4.262 146 HD2 HIS 19 HD2 HIS 19 -6.174 0.864 -0.619 147 HE1 HIS 19 HE1 HIS 19 -5.887 0.121 -4.784 148 H ASP 20 HN ASP 20 -8.449 -1.421 -0.242 149 HA ASP 20 HA ASP 20 -7.926 -0.970 2.536 150 HB2 ASP 20 HB2 ASP 20 -8.343 -3.220 1.286 151 HB3 ASP 20 HB1 ASP 20 -6.642 -3.112 0.850 152 H ASP 21 HN ASP 21 -6.530 0.548 3.058 153 HA ASP 21 HA ASP 21 -4.459 1.353 1.244 154 HB2 ASP 21 HB2 ASP 21 -3.971 3.079 2.992 155 HB3 ASP 21 HB1 ASP 21 -5.635 3.062 2.402 156 H ASP 22 HN ASP 22 -4.680 -0.927 3.613 157 HA ASP 22 HA ASP 22 -1.823 -1.364 3.352 158 HB2 ASP 22 HB2 ASP 22 -1.699 -2.251 5.696 159 HB3 ASP 22 HB1 ASP 22 -2.026 -0.528 5.636 160 HA PRO 23 HA PRO 23 -4.668 -4.407 1.363 161 HB2 PRO 23 HB2 PRO 23 -2.446 -5.501 -0.017 162 HB3 PRO 23 HB1 PRO 23 -3.668 -4.398 -0.647 163 HG2 PRO 23 HG2 PRO 23 -0.951 -3.813 0.406 164 HG3 PRO 23 HG1 PRO 23 -1.877 -2.975 -0.850 165 HD2 PRO 23 HD2 PRO 23 -1.562 -1.914 1.572 166 HD3 PRO 23 HD1 PRO 23 -3.098 -1.748 0.698 167 H THR 24 HN THR 24 -5.205 -5.655 2.967 168 HA THR 24 HA THR 24 -3.557 -7.345 4.483 169 HB THR 24 HB THR 24 -5.865 -8.472 4.927 170 HG1 THR 24 HG1 THR 24 -6.837 -6.148 3.654 171 HG21 THR 24 HG21 THR 24 -6.589 -6.572 6.297 172 HG22 THR 24 HG22 THR 24 -5.483 -5.518 5.412 173 HG23 THR 24 HG23 THR 24 -4.851 -6.820 6.423 174 H GLY 25 HN GLY 25 -5.437 -7.864 1.548 175 HA2 GLY 25 HA2 GLY 25 -4.935 -9.376 -0.157 176 HA3 GLY 25 HA1 GLY 25 -3.758 -10.137 0.900 177 H ASP 26 HN ASP 26 -6.586 -9.822 2.635 178 HA ASP 26 HA ASP 26 -7.136 -12.632 2.209 179 HB2 ASP 26 HB2 ASP 26 -8.261 -10.663 4.192 180 HB3 ASP 26 HB1 ASP 26 -8.890 -12.299 3.981 181 H TYR 27 HN TYR 27 -8.051 -12.840 0.312 182 HA TYR 27 HA TYR 27 -10.849 -12.242 0.240 183 HB2 TYR 27 HB2 TYR 27 -10.722 -11.378 -2.132 184 HB3 TYR 27 HB1 TYR 27 -10.143 -10.267 -0.905 185 HD1 TYR 27 HD1 TYR 27 -9.015 -12.647 -3.545 186 HD2 TYR 27 HD2 TYR 27 -7.960 -9.389 -1.018 187 HE1 TYR 27 HE1 TYR 27 -6.929 -12.338 -4.815 188 HE2 TYR 27 HE2 TYR 27 -5.875 -9.078 -2.278 189 HH TYR 27 HH TYR 27 -5.258 -10.776 -5.246 190 H SER 28 HN SER 28 -11.960 -13.833 -0.702 191 HA SER 28 HA SER 28 -10.638 -16.223 -1.171 192 HB2 SER 28 HB2 SER 28 -13.415 -15.450 -2.091 193 HB3 SER 28 HB1 SER 28 -12.821 -17.086 -1.823 194 HG SER 28 HG SER 28 -13.955 -16.449 0.005 195 H SER 29 HN SER 29 -11.943 -13.752 -3.311 196 HA SER 29 HA SER 29 -10.108 -14.402 -5.415 197 HB2 SER 29 HB2 SER 29 -13.102 -14.660 -5.897 198 HB3 SER 29 HB1 SER 29 -11.877 -14.655 -7.160 199 HG SER 29 HG SER 29 -11.309 -16.477 -5.233 200 H LYS 30 HN LYS 30 -9.921 -12.663 -6.917 201 HA LYS 30 HA LYS 30 -10.406 -10.085 -5.872 202 HB2 LYS 30 HB2 LYS 30 -8.584 -10.547 -7.435 203 HB3 LYS 30 HB1 LYS 30 -9.743 -10.938 -8.700 204 HG2 LYS 30 HG2 LYS 30 -10.576 -8.599 -8.585 205 HG3 LYS 30 HG1 LYS 30 -9.304 -8.249 -7.414 206 HD2 LYS 30 HD2 LYS 30 -8.680 -9.401 -10.113 207 HD3 LYS 30 HD1 LYS 30 -8.880 -7.666 -9.870 208 HE2 LYS 30 HE2 LYS 30 -6.982 -9.316 -8.223 209 HE3 LYS 30 HE1 LYS 30 -6.507 -8.589 -9.758 210 HZ1 LYS 30 HZ1 LYS 30 -5.899 -7.178 -7.932 211 HZ2 LYS 30 HZ2 LYS 30 -7.500 -7.125 -7.370 212 HZ3 LYS 30 HZ3 LYS 30 -7.101 -6.424 -8.854 213 H GLU 31 HN GLU 31 -12.043 -11.909 -8.462 214 HA GLU 31 HA GLU 31 -13.796 -9.817 -9.156 215 HB2 GLU 31 HB2 GLU 31 -14.949 -11.385 -10.498 216 HB3 GLU 31 HB1 GLU 31 -13.240 -11.767 -10.615 217 HG2 GLU 31 HG2 GLU 31 -13.541 -13.603 -9.037 218 HG3 GLU 31 HG1 GLU 31 -15.251 -13.174 -8.892 219 H ALA 32 HN ALA 32 -13.958 -12.345 -6.751 220 HA ALA 32 HA ALA 32 -16.724 -12.261 -6.281 221 HB1 ALA 32 HB1 ALA 32 -15.249 -14.007 -5.373 222 HB2 ALA 32 HB2 ALA 32 -16.268 -13.246 -4.147 223 HB3 ALA 32 HB3 ALA 32 -14.565 -12.811 -4.270 224 H ALA 33 HN ALA 33 -14.068 -10.316 -5.079 225 HA ALA 33 HA ALA 33 -15.594 -8.949 -3.129 226 HB1 ALA 33 HB1 ALA 33 -13.048 -8.074 -4.491 227 HB2 ALA 33 HB2 ALA 33 -13.133 -9.106 -3.064 228 HB3 ALA 33 HB3 ALA 33 -13.702 -7.436 -2.983 229 H PHE 34 HN PHE 34 -14.472 -8.037 -6.394 230 HA PHE 34 HA PHE 34 -15.846 -5.568 -6.401 231 HB2 PHE 34 HB2 PHE 34 -14.735 -7.215 -8.659 232 HB3 PHE 34 HB1 PHE 34 -15.453 -5.619 -8.880 233 HD1 PHE 34 HD1 PHE 34 -12.515 -7.425 -8.131 234 HD2 PHE 34 HD2 PHE 34 -14.490 -3.712 -7.490 235 HE1 PHE 34 HE1 PHE 34 -10.365 -6.410 -7.548 236 HE2 PHE 34 HE2 PHE 34 -12.315 -2.672 -6.907 237 HZ PHE 34 HZ PHE 34 -10.251 -4.046 -6.937 238 H GLU 35 HN GLU 35 -16.727 -8.736 -7.728 239 HA GLU 35 HA GLU 35 -19.025 -7.934 -9.051 240 HB2 GLU 35 HB2 GLU 35 -18.009 -10.146 -9.359 241 HB3 GLU 35 HB1 GLU 35 -18.479 -10.594 -7.730 242 HG2 GLU 35 HG2 GLU 35 -20.823 -10.365 -8.310 243 HG3 GLU 35 HG1 GLU 35 -20.381 -9.850 -9.934 244 H ALA 36 HN ALA 36 -18.633 -9.212 -5.758 245 HA ALA 36 HA ALA 36 -21.356 -8.921 -5.088 246 HB1 ALA 36 HB1 ALA 36 -20.678 -9.251 -2.803 247 HB2 ALA 36 HB2 ALA 36 -18.990 -8.993 -3.246 248 HB3 ALA 36 HB3 ALA 36 -19.861 -10.397 -3.869 249 H ALA 37 HN ALA 37 -18.537 -6.827 -4.673 250 HA ALA 37 HA ALA 37 -19.731 -4.875 -3.070 251 HB1 ALA 37 HB1 ALA 37 -17.279 -5.162 -3.584 252 HB2 ALA 37 HB2 ALA 37 -17.877 -3.504 -3.547 253 HB3 ALA 37 HB3 ALA 37 -17.585 -4.306 -5.098 254 H CYS 38 HN CYS 38 -19.390 -4.955 -6.637 255 HA CYS 38 HA CYS 38 -20.779 -2.534 -6.981 256 HB2 CYS 38 HB2 CYS 38 -21.014 -3.172 -9.356 257 HB3 CYS 38 HB1 CYS 38 -19.363 -3.330 -8.768 258 HG CYS 38 HG CYS 38 -19.273 -6.024 -8.765 259 H ALA 39 HN ALA 39 -21.800 -5.912 -6.943 260 HA ALA 39 HA ALA 39 -24.445 -5.581 -7.785 261 HB1 ALA 39 HB1 ALA 39 -23.297 -7.644 -5.928 262 HB2 ALA 39 HB2 ALA 39 -23.375 -7.752 -7.686 263 HB3 ALA 39 HB3 ALA 39 -24.858 -7.752 -6.736 264 H ALA 40 HN ALA 40 -23.093 -5.741 -4.520 265 HA ALA 40 HA ALA 40 -25.526 -5.280 -3.168 266 HB1 ALA 40 HB1 ALA 40 -24.114 -4.801 -1.226 267 HB2 ALA 40 HB2 ALA 40 -22.693 -4.780 -2.274 268 HB3 ALA 40 HB3 ALA 40 -23.617 -6.268 -2.065 269 H ALA 41 HN ALA 41 -23.016 -3.105 -4.368 270 HA ALA 41 HA ALA 41 -24.027 -0.763 -3.181 271 HB1 ALA 41 HB1 ALA 41 -22.491 -1.018 -5.770 272 HB2 ALA 41 HB2 ALA 41 -21.775 -0.916 -4.159 273 HB3 ALA 41 HB3 ALA 41 -22.689 0.449 -4.807 274 H SER 42 HN SER 42 -24.742 -2.363 -6.252 275 HA SER 42 HA SER 42 -26.407 -0.361 -7.286 276 HB2 SER 42 HB2 SER 42 -26.563 -3.345 -7.748 277 HB3 SER 42 HB1 SER 42 -27.327 -2.095 -8.738 278 HG SER 42 HG SER 42 -24.527 -2.302 -8.271 279 H ASN 43 HN ASN 43 -27.118 -3.238 -5.329 280 HA ASN 43 HA ASN 43 -29.904 -2.862 -5.133 281 HB2 ASN 43 HB2 ASN 43 -28.921 -4.992 -4.541 282 HB3 ASN 43 HB1 ASN 43 -27.961 -4.246 -3.267 283 HD21 ASN 43 HD21 ASN 43 -28.895 -3.851 -1.280 284 HD22 ASN 43 HD22 ASN 43 -30.483 -4.380 -0.870 285 H ALA 44 HN ALA 44 -27.243 -1.802 -3.108 286 HA ALA 44 HA ALA 44 -28.753 -0.609 -1.077 287 HB1 ALA 44 HB1 ALA 44 -26.679 0.489 -0.450 288 HB2 ALA 44 HB2 ALA 44 -25.969 0.074 -2.012 289 HB3 ALA 44 HB3 ALA 44 -26.388 -1.198 -0.863 290 H ILE 45 HN ILE 45 -27.335 0.823 -4.035 291 HA ILE 45 HA ILE 45 -28.286 3.427 -3.425 292 HB ILE 45 HB ILE 45 -26.394 2.847 -5.062 293 HG12 ILE 45 HG12 ILE 45 -27.541 5.140 -4.811 294 HG13 ILE 45 HG11 ILE 45 -26.600 4.864 -6.269 295 HG21 ILE 45 HG21 ILE 45 -26.927 2.440 -7.381 296 HG22 ILE 45 HG22 ILE 45 -28.650 2.442 -7.009 297 HG23 ILE 45 HG23 ILE 45 -27.614 1.169 -6.366 298 HD11 ILE 45 HD11 ILE 45 -28.699 6.045 -6.716 299 HD12 ILE 45 HD12 ILE 45 -29.601 4.676 -6.067 300 HD13 ILE 45 HD13 ILE 45 -28.642 4.481 -7.532 301 H LYS 46 HN LYS 46 -29.624 0.656 -5.044 302 HA LYS 46 HA LYS 46 -31.896 1.828 -6.196 303 HB2 LYS 46 HB2 LYS 46 -31.093 -0.495 -6.623 304 HB3 LYS 46 HB1 LYS 46 -31.637 -0.947 -5.015 305 HG2 LYS 46 HG2 LYS 46 -33.939 -0.447 -5.639 306 HG3 LYS 46 HG1 LYS 46 -33.405 0.044 -7.244 307 HD2 LYS 46 HD2 LYS 46 -33.032 -2.712 -6.062 308 HD3 LYS 46 HD1 LYS 46 -34.308 -2.258 -7.190 309 HE2 LYS 46 HE2 LYS 46 -32.536 -1.597 -8.824 310 HE3 LYS 46 HE1 LYS 46 -31.335 -2.230 -7.699 311 HZ1 LYS 46 HZ1 LYS 46 -31.881 -3.841 -9.403 312 HZ2 LYS 46 HZ2 LYS 46 -33.507 -3.797 -8.979 313 HZ3 LYS 46 HZ3 LYS 46 -32.370 -4.407 -7.890 314 H PHE 47 HN PHE 47 -31.101 0.822 -2.954 315 HA PHE 47 HA PHE 47 -33.766 1.165 -1.885 316 HB2 PHE 47 HB2 PHE 47 -32.107 -0.558 -1.065 317 HB3 PHE 47 HB1 PHE 47 -31.143 0.756 -0.410 318 HD1 PHE 47 HD1 PHE 47 -34.456 -0.885 -0.193 319 HD2 PHE 47 HD2 PHE 47 -31.623 1.651 1.712 320 HE1 PHE 47 HE1 PHE 47 -35.772 -0.984 1.885 321 HE2 PHE 47 HE2 PHE 47 -32.933 1.558 3.791 322 HZ PHE 47 HZ PHE 47 -35.007 0.241 3.881 323 H GLY 48 HN GLY 48 -31.262 3.202 -2.743 324 HA2 GLY 48 HA2 GLY 48 -31.195 5.525 -2.566 325 HA3 GLY 48 HA1 GLY 48 -32.477 5.445 -1.365 326 H HIS 49 HN HIS 49 -29.719 3.455 -0.910 327 HA HIS 49 HA HIS 49 -29.050 4.710 1.528 328 HB2 HIS 49 HB2 HIS 49 -27.560 2.987 1.792 329 HB3 HIS 49 HB1 HIS 49 -28.532 2.278 0.512 330 HD2 HIS 49 HD2 HIS 49 -25.020 2.433 1.262 331 HE1 HIS 49 HE1 HIS 49 -25.038 3.035 -2.929 332 HE2 HIS 49 HE2 HIS 49 -23.609 2.725 -0.883 333 H GLU 50 HN GLU 50 -27.322 6.135 1.999 334 HA GLU 50 HA GLU 50 -26.406 7.750 -0.131 335 HB2 GLU 50 HB2 GLU 50 -25.019 8.861 1.459 336 HB3 GLU 50 HB1 GLU 50 -26.563 8.498 2.218 337 HG2 GLU 50 HG2 GLU 50 -25.631 6.733 3.488 338 HG3 GLU 50 HG1 GLU 50 -24.121 6.778 2.575 339 H VAL 51 HN VAL 51 -24.617 7.608 -1.357 340 HA VAL 51 HA VAL 51 -23.086 5.146 -0.973 341 HB VAL 51 HB VAL 51 -24.427 5.374 -3.101 342 HG11 VAL 51 HG11 VAL 51 -24.107 7.715 -3.571 343 HG12 VAL 51 HG12 VAL 51 -23.476 6.752 -4.909 344 HG13 VAL 51 HG13 VAL 51 -22.370 7.473 -3.744 345 HG21 VAL 51 HG21 VAL 51 -22.640 3.772 -2.963 346 HG22 VAL 51 HG22 VAL 51 -21.441 5.013 -3.316 347 HG23 VAL 51 HG23 VAL 51 -22.599 4.533 -4.557 348 H ARG 52 HN ARG 52 -20.921 5.190 -0.876 349 HA ARG 52 HA ARG 52 -19.584 7.747 -1.374 350 HB2 ARG 52 HB2 ARG 52 -20.081 7.244 1.124 351 HB3 ARG 52 HB1 ARG 52 -18.823 6.025 0.963 352 HG2 ARG 52 HG2 ARG 52 -17.729 7.892 1.823 353 HG3 ARG 52 HG1 ARG 52 -17.341 7.907 0.105 354 HD2 ARG 52 HD2 ARG 52 -19.661 9.461 1.212 355 HD3 ARG 52 HD1 ARG 52 -18.032 10.123 1.199 356 HE ARG 52 HE ARG 52 -18.146 9.705 -1.307 357 HH11 ARG 52 HH11 ARG 52 -21.084 10.241 0.528 358 HH12 ARG 52 HH12 ARG 52 -21.850 11.163 -0.714 359 HH21 ARG 52 HH21 ARG 52 -19.191 10.900 -2.981 360 HH22 ARG 52 HH22 ARG 52 -20.786 11.514 -2.721 361 H ILE 53 HN ILE 53 -17.967 7.437 -2.758 362 HA ILE 53 HA ILE 53 -16.749 4.784 -2.881 363 HB ILE 53 HB ILE 53 -16.970 6.917 -5.044 364 HG12 ILE 53 HG12 ILE 53 -17.994 4.950 -6.335 365 HG13 ILE 53 HG11 ILE 53 -18.125 4.135 -4.785 366 HG21 ILE 53 HG21 ILE 53 -15.482 4.296 -5.172 367 HG22 ILE 53 HG22 ILE 53 -14.746 5.896 -5.066 368 HG23 ILE 53 HG23 ILE 53 -15.680 5.447 -6.496 369 HD11 ILE 53 HD11 ILE 53 -19.559 5.954 -3.977 370 HD12 ILE 53 HD12 ILE 53 -20.223 5.163 -5.407 371 HD13 ILE 53 HD13 ILE 53 -19.436 6.734 -5.552 372 H THR 54 HN THR 54 -14.965 4.853 -1.748 373 HA THR 54 HA THR 54 -13.342 7.250 -2.032 374 HB THR 54 HB THR 54 -12.503 6.598 0.318 375 HG1 THR 54 HG1 THR 54 -14.036 4.620 0.088 376 HG21 THR 54 HG21 THR 54 -14.227 7.970 1.369 377 HG22 THR 54 HG22 THR 54 -15.268 7.748 -0.035 378 HG23 THR 54 HG23 THR 54 -13.752 8.640 -0.189 379 H VAL 55 HN VAL 55 -11.976 6.577 -3.493 380 HA VAL 55 HA VAL 55 -10.390 4.192 -2.866 381 HB VAL 55 HB VAL 55 -11.063 5.181 -5.651 382 HG11 VAL 55 HG11 VAL 55 -9.542 2.753 -4.712 383 HG12 VAL 55 HG12 VAL 55 -8.901 4.130 -5.607 384 HG13 VAL 55 HG13 VAL 55 -10.053 3.041 -6.374 385 HG21 VAL 55 HG21 VAL 55 -12.095 2.763 -4.170 386 HG22 VAL 55 HG22 VAL 55 -12.432 3.156 -5.858 387 HG23 VAL 55 HG23 VAL 55 -13.022 4.205 -4.569 388 HA PRO 56 HA PRO 56 -7.452 7.701 -3.120 389 HB2 PRO 56 HB2 PRO 56 -6.043 7.089 -0.920 390 HB3 PRO 56 HB1 PRO 56 -7.581 7.958 -0.807 391 HG2 PRO 56 HG2 PRO 56 -7.032 5.041 -0.408 392 HG3 PRO 56 HG1 PRO 56 -8.004 6.136 0.596 393 HD2 PRO 56 HD2 PRO 56 -9.105 4.457 -1.237 394 HD3 PRO 56 HD1 PRO 56 -9.818 6.030 -0.824 395 H GLY 57 HN GLY 57 -5.294 7.565 -3.783 396 HA2 GLY 57 HA2 GLY 57 -4.530 5.068 -4.943 397 HA3 GLY 57 HA1 GLY 57 -3.593 6.554 -4.959 398 H ASN 58 HN ASN 58 -2.446 4.026 -4.573 399 HA ASN 58 HA ASN 58 -1.992 3.667 -1.757 400 HB2 ASN 58 HB2 ASN 58 -1.892 1.724 -3.258 401 HB3 ASN 58 HB1 ASN 58 -0.550 2.455 -4.132 402 HD21 ASN 58 HD21 ASN 58 0.824 0.739 -3.675 403 HD22 ASN 58 HD22 ASN 58 1.493 0.475 -2.099 404 H ASP 59 HN ASP 59 -0.968 5.222 -0.752 405 HA ASP 59 HA ASP 59 1.274 6.528 -2.070 406 HB2 ASP 59 HB2 ASP 59 -0.556 7.288 0.116 407 HB3 ASP 59 HB1 ASP 59 1.108 7.855 0.261 408 H GLY 60 HN GLY 60 0.889 3.863 -0.266 409 HA2 GLY 60 HA2 GLY 60 3.049 4.095 1.576 410 HA3 GLY 60 HA1 GLY 60 2.339 2.591 0.991 411 H SER 61 HN SER 61 4.782 4.972 0.515 412 HA SER 61 HA SER 61 5.627 4.126 -2.061 413 HB2 SER 61 HB2 SER 61 7.178 5.739 -0.042 414 HB3 SER 61 HB1 SER 61 7.393 5.729 -1.793 415 HG SER 61 HG SER 61 4.881 6.398 -0.700 416 H GLU 62 HN GLU 62 6.019 2.713 0.936 417 HA GLU 62 HA GLU 62 8.640 1.602 0.392 418 HB2 GLU 62 HB2 GLU 62 7.923 2.254 2.690 419 HB3 GLU 62 HB1 GLU 62 6.716 0.979 2.638 420 HG2 GLU 62 HG2 GLU 62 8.454 -0.694 2.459 421 HG3 GLU 62 HG1 GLU 62 9.691 0.564 2.436 422 H THR 63 HN THR 63 5.428 0.910 -0.407 423 HA THR 63 HA THR 63 5.898 -1.968 -0.618 424 HB THR 63 HB THR 63 3.522 -2.157 -1.275 425 HG1 THR 63 HG1 THR 63 3.609 0.691 -1.076 426 HG21 THR 63 HG21 THR 63 2.540 -1.511 0.884 427 HG22 THR 63 HG22 THR 63 3.968 -0.529 1.233 428 HG23 THR 63 HG23 THR 63 4.110 -2.283 1.092 429 H ASN 64 HN ASN 64 6.672 0.577 -2.432 430 HA ASN 64 HA ASN 64 5.809 -0.456 -5.010 431 HB2 ASN 64 HB2 ASN 64 7.385 1.990 -4.226 432 HB3 ASN 64 HB1 ASN 64 7.106 1.527 -5.901 433 HD21 ASN 64 HD21 ASN 64 5.030 1.621 -6.733 434 HD22 ASN 64 HD22 ASN 64 3.789 2.570 -5.987 435 H LEU 65 HN LEU 65 8.229 -1.228 -2.965 436 HA LEU 65 HA LEU 65 10.300 -1.454 -4.978 437 HB2 LEU 65 HB2 LEU 65 10.263 -2.213 -2.051 438 HB3 LEU 65 HB1 LEU 65 11.629 -2.511 -3.103 439 HG LEU 65 HG LEU 65 11.701 0.015 -3.496 440 HD11 LEU 65 HD11 LEU 65 9.913 0.011 -1.074 441 HD12 LEU 65 HD12 LEU 65 9.473 0.560 -2.692 442 HD13 LEU 65 HD13 LEU 65 10.706 1.421 -1.768 443 HD21 LEU 65 HD21 LEU 65 12.218 -0.994 -0.704 444 HD22 LEU 65 HD22 LEU 65 12.955 0.414 -1.463 445 HD23 LEU 65 HD23 LEU 65 13.293 -1.201 -2.081 446 H GLY 66 HN GLY 66 9.885 -3.010 -6.427 447 HA2 GLY 66 HA2 GLY 66 10.431 -5.449 -6.626 448 HA3 GLY 66 HA1 GLY 66 9.216 -5.688 -5.382 449 H VAL 67 HN VAL 67 9.531 -6.544 -8.276 450 HA VAL 67 HA VAL 67 7.015 -5.485 -9.354 451 HB VAL 67 HB VAL 67 9.046 -7.285 -10.710 452 HG11 VAL 67 HG11 VAL 67 6.696 -5.755 -11.825 453 HG12 VAL 67 HG12 VAL 67 6.839 -7.507 -11.677 454 HG13 VAL 67 HG13 VAL 67 7.893 -6.627 -12.782 455 HG21 VAL 67 HG21 VAL 67 8.650 -4.304 -10.974 456 HG22 VAL 67 HG22 VAL 67 9.769 -5.286 -11.920 457 HG23 VAL 67 HG23 VAL 67 10.008 -5.099 -10.182 458 H ILE 68 HN ILE 68 8.492 -8.697 -9.641 459 HA ILE 68 HA ILE 68 6.257 -9.969 -8.254 460 HB ILE 68 HB ILE 68 6.960 -10.654 -11.131 461 HG12 ILE 68 HG12 ILE 68 4.302 -9.787 -9.969 462 HG13 ILE 68 HG11 ILE 68 5.420 -8.695 -10.778 463 HG21 ILE 68 HG21 ILE 68 6.593 -12.683 -9.842 464 HG22 ILE 68 HG22 ILE 68 5.250 -12.415 -10.953 465 HG23 ILE 68 HG23 ILE 68 5.066 -12.048 -9.241 466 HD11 ILE 68 HD11 ILE 68 4.020 -11.062 -12.006 467 HD12 ILE 68 HD12 ILE 68 5.208 -10.051 -12.824 468 HD13 ILE 68 HD13 ILE 68 3.675 -9.357 -12.296 469 H THR 69 HN THR 69 8.923 -10.909 -10.419 470 HA THR 69 HA THR 69 9.758 -12.920 -8.478 471 HB THR 69 HB THR 69 10.846 -12.418 -11.268 472 HG1 THR 69 HG1 THR 69 8.875 -13.131 -11.753 473 HG21 THR 69 HG21 THR 69 11.017 -14.838 -9.456 474 HG22 THR 69 HG22 THR 69 12.341 -13.733 -9.818 475 HG23 THR 69 HG23 THR 69 11.653 -14.736 -11.099 476 H ASN 70 HN ASN 70 10.406 -9.745 -9.219 477 HA ASN 70 HA ASN 70 12.781 -9.819 -7.608 478 HB2 ASN 70 HB2 ASN 70 14.175 -8.478 -9.067 479 HB3 ASN 70 HB1 ASN 70 13.678 -9.920 -9.932 480 HD21 ASN 70 HD21 ASN 70 11.105 -9.059 -10.753 481 HD22 ASN 70 HD22 ASN 70 11.309 -7.776 -11.888 Start of MODEL 12 1 H MET 1 HT1 MET 1 1.922 -12.201 -6.981 2 HA MET 1 HA MET 1 0.610 -10.875 -4.684 3 HB2 MET 1 HB2 MET 1 2.915 -11.542 -4.174 4 HB3 MET 1 HB1 MET 1 3.479 -10.777 -5.654 5 HG2 MET 1 HG2 MET 1 2.768 -8.594 -4.775 6 HG3 MET 1 HG1 MET 1 2.245 -9.374 -3.283 7 HE1 MET 1 HE1 MET 1 4.620 -11.576 -2.905 8 HE2 MET 1 HE2 MET 1 3.859 -10.608 -1.639 9 HE3 MET 1 HE3 MET 1 5.616 -10.650 -1.784 10 H GLY 2 HN GLY 2 -0.168 -8.865 -5.115 11 HA2 GLY 2 HA2 GLY 2 0.348 -6.787 -6.475 12 HA3 GLY 2 HA1 GLY 2 0.324 -7.877 -7.850 13 H LYS 3 HN LYS 3 -1.957 -9.315 -6.324 14 HA LYS 3 HA LYS 3 -4.063 -8.058 -7.710 15 HB2 LYS 3 HB2 LYS 3 -5.560 -9.604 -6.448 16 HB3 LYS 3 HB1 LYS 3 -4.228 -10.414 -7.252 17 HG2 LYS 3 HG2 LYS 3 -3.037 -10.505 -5.073 18 HG3 LYS 3 HG1 LYS 3 -4.475 -9.816 -4.305 19 HD2 LYS 3 HD2 LYS 3 -5.808 -11.721 -5.033 20 HD3 LYS 3 HD1 LYS 3 -4.424 -12.374 -5.905 21 HE2 LYS 3 HE2 LYS 3 -4.652 -13.567 -3.832 22 HE3 LYS 3 HE1 LYS 3 -3.211 -12.561 -3.754 23 HZ1 LYS 3 HZ1 LYS 3 -4.437 -12.445 -1.713 24 HZ2 LYS 3 HZ2 LYS 3 -5.840 -11.947 -2.516 25 HZ3 LYS 3 HZ3 LYS 3 -4.474 -10.936 -2.477 26 H ALA 4 HN ALA 4 -5.427 -6.510 -7.183 27 HA ALA 4 HA ALA 4 -4.890 -4.959 -4.823 28 HB1 ALA 4 HB1 ALA 4 -6.926 -4.527 -7.008 29 HB2 ALA 4 HB2 ALA 4 -5.279 -3.887 -6.995 30 HB3 ALA 4 HB3 ALA 4 -6.450 -3.351 -5.785 31 H TYR 5 HN TYR 5 -6.258 -4.535 -3.145 32 HA TYR 5 HA TYR 5 -8.523 -6.364 -2.920 33 HB2 TYR 5 HB2 TYR 5 -6.901 -6.912 -1.261 34 HB3 TYR 5 HB1 TYR 5 -6.707 -5.226 -0.800 35 HD1 TYR 5 HD1 TYR 5 -9.640 -7.531 -1.156 36 HD2 TYR 5 HD2 TYR 5 -7.523 -4.821 1.340 37 HE1 TYR 5 HE1 TYR 5 -11.328 -7.851 0.609 38 HE2 TYR 5 HE2 TYR 5 -9.199 -5.135 3.115 39 HH TYR 5 HH TYR 5 -11.719 -5.835 3.183 40 H TYR 6 HN TYR 6 -10.422 -5.465 -3.029 41 HA TYR 6 HA TYR 6 -10.689 -2.680 -2.182 42 HB2 TYR 6 HB2 TYR 6 -12.273 -4.370 -4.111 43 HB3 TYR 6 HB1 TYR 6 -12.895 -2.848 -3.469 44 HD1 TYR 6 HD1 TYR 6 -9.954 -4.264 -5.303 45 HD2 TYR 6 HD2 TYR 6 -12.363 -0.845 -4.521 46 HE1 TYR 6 HE1 TYR 6 -8.728 -3.010 -7.030 47 HE2 TYR 6 HE2 TYR 6 -11.146 0.410 -6.247 48 HH TYR 6 HH TYR 6 -9.009 -1.105 -8.457 49 H ASP 7 HN ASP 7 -11.484 -2.443 -0.249 50 HA ASP 7 HA ASP 7 -12.842 -4.681 0.953 51 HB2 ASP 7 HB2 ASP 7 -10.998 -3.744 2.224 52 HB3 ASP 7 HB1 ASP 7 -11.735 -2.152 2.185 53 H ILE 8 HN ILE 8 -14.931 -4.745 0.658 54 HA ILE 8 HA ILE 8 -16.404 -2.257 0.382 55 HB ILE 8 HB ILE 8 -18.257 -3.557 -0.462 56 HG12 ILE 8 HG12 ILE 8 -17.748 -5.644 0.967 57 HG13 ILE 8 HG11 ILE 8 -18.332 -5.917 -0.669 58 HG21 ILE 8 HG21 ILE 8 -17.179 -4.472 -2.516 59 HG22 ILE 8 HG22 ILE 8 -15.613 -4.234 -1.738 60 HG23 ILE 8 HG23 ILE 8 -16.650 -2.850 -2.077 61 HD11 ILE 8 HD11 ILE 8 -15.517 -6.225 0.355 62 HD12 ILE 8 HD12 ILE 8 -15.940 -6.263 -1.354 63 HD13 ILE 8 HD13 ILE 8 -16.595 -7.477 -0.255 64 H VAL 9 HN VAL 9 -17.929 -1.556 1.750 65 HA VAL 9 HA VAL 9 -18.200 -3.066 4.252 66 HB VAL 9 HB VAL 9 -18.843 -0.150 3.690 67 HG11 VAL 9 HG11 VAL 9 -20.161 -1.117 5.515 68 HG12 VAL 9 HG12 VAL 9 -19.010 0.090 6.101 69 HG13 VAL 9 HG13 VAL 9 -18.668 -1.627 6.313 70 HG21 VAL 9 HG21 VAL 9 -16.448 -1.347 5.087 71 HG22 VAL 9 HG22 VAL 9 -16.811 0.375 4.968 72 HG23 VAL 9 HG23 VAL 9 -16.439 -0.548 3.514 73 H GLY 10 HN GLY 10 -20.130 -3.937 4.735 74 HA2 GLY 10 HA2 GLY 10 -22.348 -3.239 2.942 75 HA3 GLY 10 HA1 GLY 10 -22.102 -4.825 3.649 76 H SER 11 HN SER 11 -23.744 -1.995 3.853 77 HA SER 11 HA SER 11 -25.062 -2.835 6.260 78 HB2 SER 11 HB2 SER 11 -23.800 -0.079 6.062 79 HB3 SER 11 HB1 SER 11 -24.889 -0.610 7.347 80 HG SER 11 HG SER 11 -22.756 -2.292 6.934 81 H ASP 12 HN ASP 12 -27.181 -2.446 6.084 82 HA ASP 12 HA ASP 12 -28.198 -1.608 3.580 83 HB2 ASP 12 HB2 ASP 12 -29.198 -2.935 5.884 84 HB3 ASP 12 HB1 ASP 12 -30.320 -1.675 5.402 85 H ASN 13 HN ASN 13 -27.020 0.443 5.715 86 HA ASN 13 HA ASN 13 -28.858 2.437 4.637 87 HB2 ASN 13 HB2 ASN 13 -29.089 3.657 6.666 88 HB3 ASN 13 HB1 ASN 13 -29.448 1.977 7.029 89 HD21 ASN 13 HD21 ASN 13 -27.884 0.762 8.216 90 HD22 ASN 13 HD22 ASN 13 -26.762 1.565 9.249 91 H ARG 14 HN ARG 14 -25.687 1.610 5.837 92 HA ARG 14 HA ARG 14 -24.600 3.954 4.436 93 HB2 ARG 14 HB2 ARG 14 -23.272 2.513 6.743 94 HB3 ARG 14 HB1 ARG 14 -22.712 3.970 5.940 95 HG2 ARG 14 HG2 ARG 14 -25.184 3.719 7.636 96 HG3 ARG 14 HG1 ARG 14 -23.664 4.468 8.108 97 HD2 ARG 14 HD2 ARG 14 -25.368 5.388 5.797 98 HD3 ARG 14 HD1 ARG 14 -25.451 6.072 7.420 99 HE ARG 14 HE ARG 14 -23.402 6.508 5.428 100 HH11 ARG 14 HH11 ARG 14 -24.190 6.685 8.845 101 HH12 ARG 14 HH12 ARG 14 -23.090 7.988 9.157 102 HH21 ARG 14 HH21 ARG 14 -22.044 8.268 5.816 103 HH22 ARG 14 HH22 ARG 14 -21.852 8.894 7.424 104 H TRP 15 HN TRP 15 -24.097 3.062 2.511 105 HA TRP 15 HA TRP 15 -22.602 0.542 2.572 106 HB2 TRP 15 HB2 TRP 15 -24.686 0.433 1.325 107 HB3 TRP 15 HB1 TRP 15 -24.233 1.834 0.368 108 HD1 TRP 15 HD1 TRP 15 -23.308 -1.879 0.834 109 HE1 TRP 15 HE1 TRP 15 -22.110 -2.694 -1.285 110 HE3 TRP 15 HE3 TRP 15 -22.898 2.576 -1.649 111 HZ2 TRP 15 HZ2 TRP 15 -21.136 -1.616 -3.683 112 HZ3 TRP 15 HZ3 TRP 15 -21.821 2.588 -3.859 113 HH2 TRP 15 HH2 TRP 15 -20.960 0.540 -4.850 114 H GLY 16 HN GLY 16 -20.507 0.537 1.956 115 HA2 GLY 16 HA2 GLY 16 -19.487 2.904 0.589 116 HA3 GLY 16 HA1 GLY 16 -18.851 2.551 2.186 117 H ILE 17 HN ILE 17 -17.482 2.725 -0.377 118 HA ILE 17 HA ILE 17 -16.380 -0.016 -0.594 119 HB ILE 17 HB ILE 17 -16.207 2.210 -2.655 120 HG12 ILE 17 HG12 ILE 17 -18.546 1.397 -2.463 121 HG13 ILE 17 HG11 ILE 17 -17.846 0.895 -3.996 122 HG21 ILE 17 HG21 ILE 17 -15.421 0.405 -4.163 123 HG22 ILE 17 HG22 ILE 17 -15.418 -0.707 -2.797 124 HG23 ILE 17 HG23 ILE 17 -14.337 0.683 -2.799 125 HD11 ILE 17 HD11 ILE 17 -18.149 -0.818 -1.540 126 HD12 ILE 17 HD12 ILE 17 -17.469 -1.332 -3.083 127 HD13 ILE 17 HD13 ILE 17 -19.169 -0.873 -2.986 128 H ARG 18 HN ARG 18 -14.345 -0.215 0.269 129 HA ARG 18 HA ARG 18 -12.721 2.227 0.487 130 HB2 ARG 18 HB2 ARG 18 -13.257 1.138 2.646 131 HB3 ARG 18 HB1 ARG 18 -12.491 -0.340 2.077 132 HG2 ARG 18 HG2 ARG 18 -10.337 0.831 1.929 133 HG3 ARG 18 HG1 ARG 18 -11.108 2.312 2.494 134 HD2 ARG 18 HD2 ARG 18 -9.981 1.296 4.351 135 HD3 ARG 18 HD1 ARG 18 -11.721 1.132 4.599 136 HE ARG 18 HE ARG 18 -11.533 -1.171 4.340 137 HH11 ARG 18 HH11 ARG 18 -8.428 0.366 3.625 138 HH12 ARG 18 HH12 ARG 18 -7.517 -1.109 3.695 139 HH21 ARG 18 HH21 ARG 18 -10.305 -3.114 4.518 140 HH22 ARG 18 HH22 ARG 18 -8.586 -3.087 4.275 141 H HIS 19 HN HIS 19 -11.183 2.394 -0.994 142 HA HIS 19 HA HIS 19 -10.182 0.037 -2.338 143 HB2 HIS 19 HB2 HIS 19 -10.492 2.139 -3.616 144 HB3 HIS 19 HB1 HIS 19 -9.331 2.952 -2.578 145 HD1 HIS 19 HD1 HIS 19 -9.318 2.188 -5.839 146 HD2 HIS 19 HD2 HIS 19 -6.828 0.782 -2.813 147 HE1 HIS 19 HE1 HIS 19 -7.221 1.434 -6.982 148 H ASP 20 HN ASP 20 -8.867 -1.198 -1.214 149 HA ASP 20 HA ASP 20 -6.906 0.006 0.577 150 HB2 ASP 20 HB2 ASP 20 -8.470 -1.972 1.151 151 HB3 ASP 20 HB1 ASP 20 -7.398 -2.930 0.136 152 H ASP 21 HN ASP 21 -5.136 0.676 -0.603 153 HA ASP 21 HA ASP 21 -4.386 -0.681 -3.011 154 HB2 ASP 21 HB2 ASP 21 -2.596 0.932 -3.244 155 HB3 ASP 21 HB1 ASP 21 -4.085 1.749 -2.791 156 H ASP 22 HN ASP 22 -3.426 -0.915 0.282 157 HA ASP 22 HA ASP 22 -1.585 -3.029 -0.539 158 HB2 ASP 22 HB2 ASP 22 -0.169 -2.602 1.421 159 HB3 ASP 22 HB1 ASP 22 -0.299 -1.148 0.454 160 HA PRO 23 HA PRO 23 -4.925 -5.377 1.077 161 HB2 PRO 23 HB2 PRO 23 -3.379 -7.718 1.380 162 HB3 PRO 23 HB1 PRO 23 -4.370 -7.267 -0.008 163 HG2 PRO 23 HG2 PRO 23 -1.446 -6.990 0.403 164 HG3 PRO 23 HG1 PRO 23 -2.354 -7.263 -1.094 165 HD2 PRO 23 HD2 PRO 23 -1.266 -4.880 -0.491 166 HD3 PRO 23 HD1 PRO 23 -2.801 -5.009 -1.378 167 H THR 24 HN THR 24 -5.414 -4.655 3.038 168 HA THR 24 HA THR 24 -3.845 -5.300 5.379 169 HB THR 24 HB THR 24 -5.974 -4.353 6.559 170 HG1 THR 24 HG1 THR 24 -6.530 -3.574 3.874 171 HG21 THR 24 HG21 THR 24 -5.366 -2.031 6.034 172 HG22 THR 24 HG22 THR 24 -4.463 -2.587 4.618 173 HG23 THR 24 HG23 THR 24 -3.924 -3.027 6.244 174 H GLY 25 HN GLY 25 -6.371 -6.563 3.547 175 HA2 GLY 25 HA2 GLY 25 -6.439 -8.956 5.193 176 HA3 GLY 25 HA1 GLY 25 -7.969 -8.162 4.809 177 H ASP 26 HN ASP 26 -5.408 -10.099 3.651 178 HA ASP 26 HA ASP 26 -5.726 -9.714 0.917 179 HB2 ASP 26 HB2 ASP 26 -4.431 -11.732 0.623 180 HB3 ASP 26 HB1 ASP 26 -3.779 -10.798 1.970 181 H TYR 27 HN TYR 27 -7.389 -10.025 -0.260 182 HA TYR 27 HA TYR 27 -9.524 -11.786 0.591 183 HB2 TYR 27 HB2 TYR 27 -9.771 -9.359 -0.191 184 HB3 TYR 27 HB1 TYR 27 -9.525 -9.993 -1.812 185 HD1 TYR 27 HD1 TYR 27 -11.510 -11.258 1.094 186 HD2 TYR 27 HD2 TYR 27 -11.533 -9.901 -2.933 187 HE1 TYR 27 HE1 TYR 27 -13.911 -11.737 0.955 188 HE2 TYR 27 HE2 TYR 27 -13.920 -10.371 -3.096 189 HH TYR 27 HH TYR 27 -15.850 -11.012 -0.373 190 H SER 28 HN SER 28 -10.466 -13.338 -0.790 191 HA SER 28 HA SER 28 -8.605 -15.020 -2.002 192 HB2 SER 28 HB2 SER 28 -11.608 -15.074 -2.300 193 HB3 SER 28 HB1 SER 28 -10.497 -16.427 -2.519 194 HG SER 28 HG SER 28 -10.242 -16.595 -0.402 195 H SER 29 HN SER 29 -10.958 -12.775 -3.519 196 HA SER 29 HA SER 29 -9.347 -12.850 -5.901 197 HB2 SER 29 HB2 SER 29 -11.334 -13.369 -7.356 198 HB3 SER 29 HB1 SER 29 -10.731 -14.719 -6.401 199 HG SER 29 HG SER 29 -12.832 -14.794 -5.991 200 H LYS 30 HN LYS 30 -9.678 -11.154 -7.290 201 HA LYS 30 HA LYS 30 -10.618 -8.709 -6.167 202 HB2 LYS 30 HB2 LYS 30 -8.772 -8.944 -7.809 203 HB3 LYS 30 HB1 LYS 30 -9.971 -9.362 -9.027 204 HG2 LYS 30 HG2 LYS 30 -11.030 -7.199 -8.720 205 HG3 LYS 30 HG1 LYS 30 -9.817 -6.781 -7.509 206 HD2 LYS 30 HD2 LYS 30 -9.170 -5.786 -9.614 207 HD3 LYS 30 HD1 LYS 30 -8.054 -7.110 -9.256 208 HE2 LYS 30 HE2 LYS 30 -9.336 -8.577 -10.757 209 HE3 LYS 30 HE1 LYS 30 -10.435 -7.245 -11.118 210 HZ1 LYS 30 HZ1 LYS 30 -8.584 -6.032 -12.085 211 HZ2 LYS 30 HZ2 LYS 30 -8.753 -7.538 -12.840 212 HZ3 LYS 30 HZ3 LYS 30 -7.527 -7.305 -11.705 213 H GLU 31 HN GLU 31 -11.950 -10.994 -8.533 214 HA GLU 31 HA GLU 31 -14.041 -9.334 -9.433 215 HB2 GLU 31 HB2 GLU 31 -14.955 -11.265 -10.489 216 HB3 GLU 31 HB1 GLU 31 -13.203 -11.302 -10.686 217 HG2 GLU 31 HG2 GLU 31 -13.118 -12.896 -8.761 218 HG3 GLU 31 HG1 GLU 31 -14.885 -12.898 -8.787 219 H ALA 32 HN ALA 32 -13.810 -11.642 -6.781 220 HA ALA 32 HA ALA 32 -16.562 -11.790 -6.235 221 HB1 ALA 32 HB1 ALA 32 -15.931 -12.498 -4.003 222 HB2 ALA 32 HB2 ALA 32 -14.266 -11.982 -4.295 223 HB3 ALA 32 HB3 ALA 32 -14.955 -13.327 -5.223 224 H ALA 33 HN ALA 33 -14.075 -9.502 -5.343 225 HA ALA 33 HA ALA 33 -15.620 -8.073 -3.452 226 HB1 ALA 33 HB1 ALA 33 -13.912 -6.343 -3.633 227 HB2 ALA 33 HB2 ALA 33 -13.280 -7.088 -5.102 228 HB3 ALA 33 HB3 ALA 33 -13.161 -7.934 -3.554 229 H PHE 34 HN PHE 34 -14.861 -7.428 -6.888 230 HA PHE 34 HA PHE 34 -16.562 -5.154 -7.016 231 HB2 PHE 34 HB2 PHE 34 -15.352 -6.828 -9.203 232 HB3 PHE 34 HB1 PHE 34 -16.337 -5.405 -9.511 233 HD1 PHE 34 HD1 PHE 34 -13.104 -6.610 -8.918 234 HD2 PHE 34 HD2 PHE 34 -15.632 -3.245 -8.308 235 HE1 PHE 34 HE1 PHE 34 -11.128 -5.193 -8.599 236 HE2 PHE 34 HE2 PHE 34 -13.641 -1.820 -8.001 237 HZ PHE 34 HZ PHE 34 -11.383 -2.823 -8.140 238 H GLU 35 HN GLU 35 -17.057 -8.515 -7.912 239 HA GLU 35 HA GLU 35 -19.489 -8.243 -9.194 240 HB2 GLU 35 HB2 GLU 35 -18.155 -10.298 -9.200 241 HB3 GLU 35 HB1 GLU 35 -18.534 -10.552 -7.504 242 HG2 GLU 35 HG2 GLU 35 -20.898 -10.762 -8.029 243 HG3 GLU 35 HG1 GLU 35 -20.553 -10.437 -9.726 244 H ALA 36 HN ALA 36 -18.829 -9.034 -5.797 245 HA ALA 36 HA ALA 36 -21.529 -8.892 -4.997 246 HB1 ALA 36 HB1 ALA 36 -19.791 -10.041 -3.702 247 HB2 ALA 36 HB2 ALA 36 -20.722 -8.888 -2.742 248 HB3 ALA 36 HB3 ALA 36 -19.095 -8.469 -3.285 249 H ALA 37 HN ALA 37 -18.936 -6.523 -5.141 250 HA ALA 37 HA ALA 37 -20.083 -4.450 -3.690 251 HB1 ALA 37 HB1 ALA 37 -18.283 -4.234 -6.085 252 HB2 ALA 37 HB2 ALA 37 -17.750 -4.504 -4.428 253 HB3 ALA 37 HB3 ALA 37 -18.541 -2.985 -4.866 254 H CYS 38 HN CYS 38 -20.189 -4.988 -7.225 255 HA CYS 38 HA CYS 38 -21.896 -2.788 -7.643 256 HB2 CYS 38 HB2 CYS 38 -22.288 -3.712 -9.889 257 HB3 CYS 38 HB1 CYS 38 -20.578 -3.582 -9.462 258 HG CYS 38 HG CYS 38 -20.646 -6.444 -8.676 259 H ALA 39 HN ALA 39 -22.525 -6.211 -7.050 260 HA ALA 39 HA ALA 39 -25.271 -6.238 -7.559 261 HB1 ALA 39 HB1 ALA 39 -23.783 -7.830 -5.470 262 HB2 ALA 39 HB2 ALA 39 -23.933 -8.268 -7.176 263 HB3 ALA 39 HB3 ALA 39 -25.367 -8.214 -6.146 264 H ALA 40 HN ALA 40 -23.484 -5.649 -4.585 265 HA ALA 40 HA ALA 40 -25.709 -4.980 -2.946 266 HB1 ALA 40 HB1 ALA 40 -23.432 -5.592 -2.129 267 HB2 ALA 40 HB2 ALA 40 -24.086 -4.135 -1.388 268 HB3 ALA 40 HB3 ALA 40 -22.867 -4.003 -2.653 269 H ALA 41 HN ALA 41 -23.663 -3.108 -5.080 270 HA ALA 41 HA ALA 41 -24.440 -0.538 -4.314 271 HB1 ALA 41 HB1 ALA 41 -22.511 -0.906 -5.721 272 HB2 ALA 41 HB2 ALA 41 -23.640 0.177 -6.527 273 HB3 ALA 41 HB3 ALA 41 -23.540 -1.512 -7.020 274 H SER 42 HN SER 42 -25.865 -2.733 -6.721 275 HA SER 42 HA SER 42 -27.694 -0.889 -7.740 276 HB2 SER 42 HB2 SER 42 -28.095 -3.874 -7.452 277 HB3 SER 42 HB1 SER 42 -28.977 -2.789 -8.530 278 HG SER 42 HG SER 42 -26.203 -3.446 -8.634 279 H ASN 43 HN ASN 43 -27.926 -3.204 -5.101 280 HA ASN 43 HA ASN 43 -30.562 -2.704 -4.262 281 HB2 ASN 43 HB2 ASN 43 -29.353 -4.660 -3.528 282 HB3 ASN 43 HB1 ASN 43 -28.121 -3.668 -2.765 283 HD21 ASN 43 HD21 ASN 43 -28.358 -4.461 -0.722 284 HD22 ASN 43 HD22 ASN 43 -29.771 -4.242 0.240 285 H ALA 44 HN ALA 44 -27.459 -1.367 -3.219 286 HA ALA 44 HA ALA 44 -28.433 0.213 -1.142 287 HB1 ALA 44 HB1 ALA 44 -25.959 0.658 -2.810 288 HB2 ALA 44 HB2 ALA 44 -26.073 -0.405 -1.402 289 HB3 ALA 44 HB3 ALA 44 -26.281 1.338 -1.206 290 H ILE 45 HN ILE 45 -27.630 1.103 -4.494 291 HA ILE 45 HA ILE 45 -28.300 3.824 -4.209 292 HB ILE 45 HB ILE 45 -28.090 2.057 -6.626 293 HG12 ILE 45 HG12 ILE 45 -26.243 4.221 -5.590 294 HG13 ILE 45 HG11 ILE 45 -26.004 2.490 -5.385 295 HG21 ILE 45 HG21 ILE 45 -28.451 5.061 -6.585 296 HG22 ILE 45 HG22 ILE 45 -29.623 3.881 -7.175 297 HG23 ILE 45 HG23 ILE 45 -28.091 4.095 -8.019 298 HD11 ILE 45 HD11 ILE 45 -26.030 3.992 -7.987 299 HD12 ILE 45 HD12 ILE 45 -25.856 2.241 -7.816 300 HD13 ILE 45 HD13 ILE 45 -24.622 3.325 -7.165 301 H LYS 46 HN LYS 46 -30.144 1.038 -5.412 302 HA LYS 46 HA LYS 46 -32.378 2.475 -6.247 303 HB2 LYS 46 HB2 LYS 46 -31.929 0.175 -6.935 304 HB3 LYS 46 HB1 LYS 46 -32.275 -0.382 -5.302 305 HG2 LYS 46 HG2 LYS 46 -34.572 0.237 -5.494 306 HG3 LYS 46 HG1 LYS 46 -34.283 1.066 -7.024 307 HD2 LYS 46 HD2 LYS 46 -35.331 -1.103 -7.402 308 HD3 LYS 46 HD1 LYS 46 -33.701 -1.077 -8.070 309 HE2 LYS 46 HE2 LYS 46 -32.872 -2.260 -6.116 310 HE3 LYS 46 HE1 LYS 46 -34.493 -2.269 -5.417 311 HZ1 LYS 46 HZ1 LYS 46 -33.909 -4.358 -6.503 312 HZ2 LYS 46 HZ2 LYS 46 -33.735 -3.553 -7.981 313 HZ3 LYS 46 HZ3 LYS 46 -35.252 -3.623 -7.234 314 H PHE 47 HN PHE 47 -31.489 1.222 -3.121 315 HA PHE 47 HA PHE 47 -34.050 1.863 -1.937 316 HB2 PHE 47 HB2 PHE 47 -31.577 0.487 -1.081 317 HB3 PHE 47 HB1 PHE 47 -32.545 1.247 0.177 318 HD1 PHE 47 HD1 PHE 47 -33.499 -0.586 -2.933 319 HD2 PHE 47 HD2 PHE 47 -33.633 -0.374 1.314 320 HE1 PHE 47 HE1 PHE 47 -35.007 -2.529 -2.898 321 HE2 PHE 47 HE2 PHE 47 -35.152 -2.328 1.360 322 HZ PHE 47 HZ PHE 47 -35.836 -3.403 -0.753 323 H GLY 48 HN GLY 48 -31.398 3.690 -2.741 324 HA2 GLY 48 HA2 GLY 48 -30.956 5.920 -2.206 325 HA3 GLY 48 HA1 GLY 48 -32.281 5.859 -1.053 326 H HIS 49 HN HIS 49 -29.954 3.396 -0.806 327 HA HIS 49 HA HIS 49 -29.181 4.124 1.804 328 HB2 HIS 49 HB2 HIS 49 -27.973 2.199 -0.188 329 HB3 HIS 49 HB1 HIS 49 -27.408 2.347 1.476 330 HD2 HIS 49 HD2 HIS 49 -28.486 -0.538 0.885 331 HE1 HIS 49 HE1 HIS 49 -32.205 0.698 2.497 332 HE2 HIS 49 HE2 HIS 49 -30.637 -1.238 2.136 333 H GLU 50 HN GLU 50 -27.351 5.198 2.535 334 HA GLU 50 HA GLU 50 -26.280 7.134 0.825 335 HB2 GLU 50 HB2 GLU 50 -26.331 7.412 3.250 336 HB3 GLU 50 HB1 GLU 50 -25.123 6.140 3.424 337 HG2 GLU 50 HG2 GLU 50 -23.549 7.507 2.061 338 HG3 GLU 50 HG1 GLU 50 -24.743 8.796 2.042 339 H VAL 51 HN VAL 51 -24.650 7.159 -0.496 340 HA VAL 51 HA VAL 51 -23.034 4.743 -0.771 341 HB VAL 51 HB VAL 51 -23.333 7.108 -2.643 342 HG11 VAL 51 HG11 VAL 51 -22.038 4.423 -3.110 343 HG12 VAL 51 HG12 VAL 51 -21.185 5.954 -2.884 344 HG13 VAL 51 HG13 VAL 51 -22.215 5.713 -4.301 345 HG21 VAL 51 HG21 VAL 51 -25.419 5.852 -2.448 346 HG22 VAL 51 HG22 VAL 51 -24.566 4.360 -2.837 347 HG23 VAL 51 HG23 VAL 51 -24.697 5.640 -4.040 348 H ARG 52 HN ARG 52 -21.008 4.787 -0.070 349 HA ARG 52 HA ARG 52 -19.635 7.382 0.072 350 HB2 ARG 52 HB2 ARG 52 -20.478 6.473 2.325 351 HB3 ARG 52 HB1 ARG 52 -19.287 5.203 2.114 352 HG2 ARG 52 HG2 ARG 52 -18.150 6.694 3.425 353 HG3 ARG 52 HG1 ARG 52 -17.626 7.160 1.803 354 HD2 ARG 52 HD2 ARG 52 -19.979 8.468 3.143 355 HD3 ARG 52 HD1 ARG 52 -18.334 9.023 3.429 356 HE ARG 52 HE ARG 52 -18.195 9.480 1.019 357 HH11 ARG 52 HH11 ARG 52 -21.451 8.981 2.277 358 HH12 ARG 52 HH12 ARG 52 -22.168 10.118 1.192 359 HH21 ARG 52 HH21 ARG 52 -19.182 10.943 -0.448 360 HH22 ARG 52 HH22 ARG 52 -20.889 11.228 -0.353 361 H ILE 53 HN ILE 53 -18.049 7.192 -1.371 362 HA ILE 53 HA ILE 53 -16.683 4.610 -1.556 363 HB ILE 53 HB ILE 53 -16.731 6.872 -3.569 364 HG12 ILE 53 HG12 ILE 53 -17.996 4.126 -3.687 365 HG13 ILE 53 HG11 ILE 53 -18.858 5.614 -3.354 366 HG21 ILE 53 HG21 ILE 53 -15.570 5.294 -5.047 367 HG22 ILE 53 HG22 ILE 53 -15.461 4.140 -3.718 368 HG23 ILE 53 HG23 ILE 53 -14.613 5.684 -3.619 369 HD11 ILE 53 HD11 ILE 53 -19.146 4.924 -5.645 370 HD12 ILE 53 HD12 ILE 53 -17.400 4.956 -5.890 371 HD13 ILE 53 HD13 ILE 53 -18.277 6.449 -5.551 372 H THR 54 HN THR 54 -14.856 4.528 -0.479 373 HA THR 54 HA THR 54 -13.497 7.062 -0.176 374 HB THR 54 HB THR 54 -14.258 6.384 1.983 375 HG1 THR 54 HG1 THR 54 -12.326 6.578 3.023 376 HG21 THR 54 HG21 THR 54 -14.495 3.953 1.558 377 HG22 THR 54 HG22 THR 54 -13.641 4.299 3.063 378 HG23 THR 54 HG23 THR 54 -12.744 3.790 1.634 379 H VAL 55 HN VAL 55 -12.211 7.021 -1.818 380 HA VAL 55 HA VAL 55 -10.168 4.941 -1.963 381 HB VAL 55 HB VAL 55 -9.500 6.070 -4.137 382 HG11 VAL 55 HG11 VAL 55 -12.344 5.074 -3.983 383 HG12 VAL 55 HG12 VAL 55 -10.903 4.070 -4.126 384 HG13 VAL 55 HG13 VAL 55 -11.355 5.152 -5.441 385 HG21 VAL 55 HG21 VAL 55 -11.098 7.597 -5.202 386 HG22 VAL 55 HG22 VAL 55 -10.469 8.284 -3.702 387 HG23 VAL 55 HG23 VAL 55 -12.090 7.584 -3.739 388 HA PRO 56 HA PRO 56 -7.895 7.609 0.744 389 HB2 PRO 56 HB2 PRO 56 -5.607 5.987 -0.233 390 HB3 PRO 56 HB1 PRO 56 -6.130 6.327 1.420 391 HG2 PRO 56 HG2 PRO 56 -6.579 3.944 0.287 392 HG3 PRO 56 HG1 PRO 56 -7.750 4.681 1.396 393 HD2 PRO 56 HD2 PRO 56 -7.836 4.434 -1.570 394 HD3 PRO 56 HD1 PRO 56 -9.159 4.402 -0.386 395 H GLY 57 HN GLY 57 -6.926 9.441 0.538 396 HA2 GLY 57 HA2 GLY 57 -5.182 10.007 -1.752 397 HA3 GLY 57 HA1 GLY 57 -6.537 11.085 -1.431 398 H ASN 58 HN ASN 58 -6.452 10.890 1.380 399 HA ASN 58 HA ASN 58 -4.286 12.653 2.054 400 HB2 ASN 58 HB2 ASN 58 -5.335 12.615 4.312 401 HB3 ASN 58 HB1 ASN 58 -6.506 12.993 3.054 402 HD21 ASN 58 HD21 ASN 58 -5.428 10.572 5.319 403 HD22 ASN 58 HD22 ASN 58 -6.817 9.546 5.207 404 H ASP 59 HN ASP 59 -3.191 12.060 4.287 405 HA ASP 59 HA ASP 59 -2.658 9.234 4.553 406 HB2 ASP 59 HB2 ASP 59 -0.228 9.417 4.283 407 HB3 ASP 59 HB1 ASP 59 -1.061 9.872 2.804 408 H GLY 60 HN GLY 60 -3.057 8.960 6.633 409 HA2 GLY 60 HA2 GLY 60 -1.447 10.523 8.520 410 HA3 GLY 60 HA1 GLY 60 -3.184 10.450 8.761 411 H SER 61 HN SER 61 -3.859 7.956 8.258 412 HA SER 61 HA SER 61 -2.208 5.899 9.194 413 HB2 SER 61 HB2 SER 61 -3.396 5.488 11.411 414 HB3 SER 61 HB1 SER 61 -2.289 6.857 11.398 415 HG SER 61 HG SER 61 -3.946 8.226 11.443 416 H GLU 62 HN GLU 62 -5.415 7.226 8.891 417 HA GLU 62 HA GLU 62 -7.301 6.518 7.899 418 HB2 GLU 62 HB2 GLU 62 -5.774 4.097 6.920 419 HB3 GLU 62 HB1 GLU 62 -7.258 4.766 6.249 420 HG2 GLU 62 HG2 GLU 62 -4.456 5.758 6.018 421 HG3 GLU 62 HG1 GLU 62 -5.674 5.535 4.762 422 H THR 63 HN THR 63 -6.716 5.874 10.568 423 HA THR 63 HA THR 63 -7.812 3.223 11.048 424 HB THR 63 HB THR 63 -7.236 5.382 13.089 425 HG1 THR 63 HG1 THR 63 -5.520 3.731 11.625 426 HG21 THR 63 HG21 THR 63 -6.898 3.404 14.573 427 HG22 THR 63 HG22 THR 63 -7.445 2.370 13.253 428 HG23 THR 63 HG23 THR 63 -8.544 3.552 13.963 429 H ASN 64 HN ASN 64 -9.961 2.902 11.076 430 HA ASN 64 HA ASN 64 -11.745 4.750 12.380 431 HB2 ASN 64 HB2 ASN 64 -11.557 5.853 10.210 432 HB3 ASN 64 HB1 ASN 64 -11.982 4.357 9.394 433 HD21 ASN 64 HD21 ASN 64 -13.728 5.289 8.386 434 HD22 ASN 64 HD22 ASN 64 -15.192 5.675 9.223 435 H LEU 65 HN LEU 65 -11.456 1.959 10.232 436 HA LEU 65 HA LEU 65 -14.008 0.898 10.956 437 HB2 LEU 65 HB2 LEU 65 -11.662 -0.328 9.511 438 HB3 LEU 65 HB1 LEU 65 -13.166 -1.177 9.801 439 HG LEU 65 HG LEU 65 -14.297 0.749 8.528 440 HD11 LEU 65 HD11 LEU 65 -11.450 1.209 7.661 441 HD12 LEU 65 HD12 LEU 65 -12.491 2.339 8.532 442 HD13 LEU 65 HD13 LEU 65 -12.877 1.880 6.875 443 HD21 LEU 65 HD21 LEU 65 -14.084 -1.495 7.635 444 HD22 LEU 65 HD22 LEU 65 -12.452 -1.140 7.077 445 HD23 LEU 65 HD23 LEU 65 -13.828 -0.300 6.368 446 H GLY 66 HN GLY 66 -14.496 -0.863 12.233 447 HA2 GLY 66 HA2 GLY 66 -12.763 -1.201 14.524 448 HA3 GLY 66 HA1 GLY 66 -14.357 -1.914 14.310 449 H VAL 67 HN VAL 67 -12.102 -3.281 15.341 450 HA VAL 67 HA VAL 67 -11.144 -4.968 13.188 451 HB VAL 67 HB VAL 67 -9.556 -4.336 14.961 452 HG11 VAL 67 HG11 VAL 67 -9.736 -5.202 17.217 453 HG12 VAL 67 HG12 VAL 67 -11.300 -5.911 16.830 454 HG13 VAL 67 HG13 VAL 67 -11.105 -4.162 16.827 455 HG21 VAL 67 HG21 VAL 67 -10.162 -7.292 15.045 456 HG22 VAL 67 HG22 VAL 67 -8.611 -6.523 15.398 457 HG23 VAL 67 HG23 VAL 67 -9.259 -6.467 13.760 458 H ILE 68 HN ILE 68 -11.956 -6.878 12.652 459 HA ILE 68 HA ILE 68 -14.125 -7.982 14.239 460 HB ILE 68 HB ILE 68 -13.023 -8.864 11.549 461 HG12 ILE 68 HG12 ILE 68 -15.397 -8.144 10.809 462 HG13 ILE 68 HG11 ILE 68 -15.483 -7.300 12.349 463 HG21 ILE 68 HG21 ILE 68 -13.920 -10.767 12.824 464 HG22 ILE 68 HG22 ILE 68 -14.922 -10.389 11.420 465 HG23 ILE 68 HG23 ILE 68 -15.436 -9.900 13.032 466 HD11 ILE 68 HD11 ILE 68 -13.598 -5.920 11.731 467 HD12 ILE 68 HD12 ILE 68 -14.864 -5.827 10.500 468 HD13 ILE 68 HD13 ILE 68 -13.423 -6.807 10.214 469 H THR 69 HN THR 69 -13.609 -9.289 15.804 470 HA THR 69 HA THR 69 -11.411 -11.189 15.415 471 HB THR 69 HB THR 69 -11.837 -9.396 17.824 472 HG1 THR 69 HG1 THR 69 -10.195 -9.374 15.668 473 HG21 THR 69 HG21 THR 69 -9.890 -11.697 17.524 474 HG22 THR 69 HG22 THR 69 -11.282 -11.679 18.602 475 HG23 THR 69 HG23 THR 69 -9.938 -10.572 18.876 476 H ASN 70 HN ASN 70 -14.522 -10.428 16.718 477 HA ASN 70 HA ASN 70 -15.017 -13.242 17.175 478 HB2 ASN 70 HB2 ASN 70 -14.303 -12.404 19.389 479 HB3 ASN 70 HB1 ASN 70 -15.558 -11.168 19.309 480 HD21 ASN 70 HD21 ASN 70 -16.612 -11.894 21.124 481 HD22 ASN 70 HD22 ASN 70 -17.523 -13.365 21.146 Start of MODEL 13 1 H MET 1 HT1 MET 1 3.099 -3.914 -5.831 2 HA MET 1 HA MET 1 1.238 -3.512 -7.248 3 HB2 MET 1 HB2 MET 1 2.777 -5.205 -9.227 4 HB3 MET 1 HB1 MET 1 1.100 -4.727 -9.418 5 HG2 MET 1 HG2 MET 1 3.472 -2.881 -9.300 6 HG3 MET 1 HG1 MET 1 2.572 -3.336 -10.746 7 HE1 MET 1 HE1 MET 1 -0.848 -1.573 -10.268 8 HE2 MET 1 HE2 MET 1 -0.489 -3.228 -9.787 9 HE3 MET 1 HE3 MET 1 0.159 -2.591 -11.299 10 H GLY 2 HN GLY 2 0.026 -4.588 -5.831 11 HA2 GLY 2 HA2 GLY 2 0.375 -7.508 -5.717 12 HA3 GLY 2 HA1 GLY 2 -0.129 -6.522 -4.360 13 H LYS 3 HN LYS 3 -1.984 -7.581 -3.973 14 HA LYS 3 HA LYS 3 -3.895 -8.358 -5.898 15 HB2 LYS 3 HB2 LYS 3 -5.380 -8.696 -3.946 16 HB3 LYS 3 HB1 LYS 3 -3.791 -9.420 -3.720 17 HG2 LYS 3 HG2 LYS 3 -3.109 -7.520 -2.366 18 HG3 LYS 3 HG1 LYS 3 -4.683 -6.769 -2.608 19 HD2 LYS 3 HD2 LYS 3 -5.763 -8.523 -1.384 20 HD3 LYS 3 HD1 LYS 3 -4.261 -9.446 -1.284 21 HE2 LYS 3 HE2 LYS 3 -4.731 -8.267 0.815 22 HE3 LYS 3 HE1 LYS 3 -3.242 -7.698 0.068 23 HZ1 LYS 3 HZ1 LYS 3 -4.558 -5.813 -0.852 24 HZ2 LYS 3 HZ2 LYS 3 -4.464 -5.815 0.826 25 HZ3 LYS 3 HZ3 LYS 3 -5.888 -6.312 0.076 26 H ALA 4 HN ALA 4 -5.590 -7.310 -6.771 27 HA ALA 4 HA ALA 4 -6.075 -4.536 -6.003 28 HB1 ALA 4 HB1 ALA 4 -7.484 -4.450 -8.034 29 HB2 ALA 4 HB2 ALA 4 -7.170 -6.161 -8.312 30 HB3 ALA 4 HB3 ALA 4 -5.848 -5.001 -8.400 31 H TYR 5 HN TYR 5 -7.039 -4.998 -3.979 32 HA TYR 5 HA TYR 5 -9.580 -6.458 -4.099 33 HB2 TYR 5 HB2 TYR 5 -7.972 -7.429 -2.517 34 HB3 TYR 5 HB1 TYR 5 -7.829 -5.876 -1.687 35 HD1 TYR 5 HD1 TYR 5 -10.747 -7.934 -2.831 36 HD2 TYR 5 HD2 TYR 5 -8.805 -5.975 0.393 37 HE1 TYR 5 HE1 TYR 5 -12.603 -8.553 -1.345 38 HE2 TYR 5 HE2 TYR 5 -10.652 -6.585 1.892 39 HH TYR 5 HH TYR 5 -12.990 -8.882 1.087 40 H TYR 6 HN TYR 6 -11.436 -5.583 -3.486 41 HA TYR 6 HA TYR 6 -11.369 -2.823 -2.503 42 HB2 TYR 6 HB2 TYR 6 -13.365 -4.292 -4.214 43 HB3 TYR 6 HB1 TYR 6 -13.816 -2.847 -3.323 44 HD1 TYR 6 HD1 TYR 6 -11.325 -4.078 -5.832 45 HD2 TYR 6 HD2 TYR 6 -13.488 -0.762 -4.278 46 HE1 TYR 6 HE1 TYR 6 -10.475 -2.665 -7.665 47 HE2 TYR 6 HE2 TYR 6 -12.652 0.652 -6.105 48 HH TYR 6 HH TYR 6 -10.864 0.752 -7.687 49 H ASP 7 HN ASP 7 -11.758 -2.705 -0.446 50 HA ASP 7 HA ASP 7 -13.102 -4.872 0.924 51 HB2 ASP 7 HB2 ASP 7 -11.042 -4.208 1.954 52 HB3 ASP 7 HB1 ASP 7 -11.492 -2.510 1.898 53 H ILE 8 HN ILE 8 -15.226 -4.716 1.044 54 HA ILE 8 HA ILE 8 -16.385 -2.043 1.089 55 HB ILE 8 HB ILE 8 -18.516 -3.071 0.480 56 HG12 ILE 8 HG12 ILE 8 -16.969 -5.663 0.232 57 HG13 ILE 8 HG11 ILE 8 -18.088 -5.296 1.539 58 HG21 ILE 8 HG21 ILE 8 -16.233 -3.845 -1.325 59 HG22 ILE 8 HG22 ILE 8 -17.011 -2.264 -1.249 60 HG23 ILE 8 HG23 ILE 8 -17.917 -3.667 -1.811 61 HD11 ILE 8 HD11 ILE 8 -18.768 -5.539 -1.380 62 HD12 ILE 8 HD12 ILE 8 -19.901 -5.088 -0.107 63 HD13 ILE 8 HD13 ILE 8 -19.164 -6.691 -0.104 64 H VAL 9 HN VAL 9 -17.853 -1.407 2.536 65 HA VAL 9 HA VAL 9 -18.054 -3.047 4.965 66 HB VAL 9 HB VAL 9 -18.466 -0.954 6.229 67 HG11 VAL 9 HG11 VAL 9 -15.910 -0.919 4.630 68 HG12 VAL 9 HG12 VAL 9 -16.205 -1.813 6.120 69 HG13 VAL 9 HG13 VAL 9 -16.189 -0.049 6.140 70 HG21 VAL 9 HG21 VAL 9 -18.018 1.230 5.177 71 HG22 VAL 9 HG22 VAL 9 -19.416 0.431 4.465 72 HG23 VAL 9 HG23 VAL 9 -17.872 0.439 3.609 73 H GLY 10 HN GLY 10 -20.084 -3.472 5.787 74 HA2 GLY 10 HA2 GLY 10 -22.206 -2.793 3.864 75 HA3 GLY 10 HA1 GLY 10 -22.134 -4.282 4.784 76 H SER 11 HN SER 11 -23.531 -1.350 4.508 77 HA SER 11 HA SER 11 -24.903 -1.694 7.022 78 HB2 SER 11 HB2 SER 11 -23.613 0.934 6.225 79 HB3 SER 11 HB1 SER 11 -24.693 0.699 7.602 80 HG SER 11 HG SER 11 -22.785 -1.123 7.773 81 H ASP 12 HN ASP 12 -26.952 -1.752 6.504 82 HA ASP 12 HA ASP 12 -27.912 -1.009 3.928 83 HB2 ASP 12 HB2 ASP 12 -30.049 -1.868 4.675 84 HB3 ASP 12 HB1 ASP 12 -28.767 -2.953 5.194 85 H ASN 13 HN ASN 13 -26.937 1.219 5.624 86 HA ASN 13 HA ASN 13 -29.243 2.942 5.022 87 HB2 ASN 13 HB2 ASN 13 -29.018 2.506 7.524 88 HB3 ASN 13 HB1 ASN 13 -27.478 3.353 7.436 89 HD21 ASN 13 HD21 ASN 13 -29.912 4.014 8.933 90 HD22 ASN 13 HD22 ASN 13 -30.366 5.602 8.423 91 H ARG 14 HN ARG 14 -25.781 2.560 5.550 92 HA ARG 14 HA ARG 14 -25.302 4.501 3.439 93 HB2 ARG 14 HB2 ARG 14 -25.015 5.553 5.752 94 HB3 ARG 14 HB1 ARG 14 -23.643 4.472 5.950 95 HG2 ARG 14 HG2 ARG 14 -22.580 5.455 3.994 96 HG3 ARG 14 HG1 ARG 14 -23.959 6.534 3.784 97 HD2 ARG 14 HD2 ARG 14 -23.509 7.277 6.165 98 HD3 ARG 14 HD1 ARG 14 -21.956 6.453 5.986 99 HE ARG 14 HE ARG 14 -22.373 8.201 3.801 100 HH11 ARG 14 HH11 ARG 14 -21.533 8.274 7.208 101 HH12 ARG 14 HH12 ARG 14 -20.802 9.839 7.117 102 HH21 ARG 14 HH21 ARG 14 -21.453 10.253 3.683 103 HH22 ARG 14 HH22 ARG 14 -20.751 10.980 5.093 104 H TRP 15 HN TRP 15 -24.236 3.370 1.958 105 HA TRP 15 HA TRP 15 -22.627 1.095 2.909 106 HB2 TRP 15 HB2 TRP 15 -24.828 1.124 1.329 107 HB3 TRP 15 HB1 TRP 15 -23.544 1.119 0.111 108 HD1 TRP 15 HD1 TRP 15 -21.522 -0.924 1.099 109 HE1 TRP 15 HE1 TRP 15 -22.122 -3.382 1.569 110 HE3 TRP 15 HE3 TRP 15 -26.580 -0.433 1.680 111 HZ2 TRP 15 HZ2 TRP 15 -24.433 -4.914 2.107 112 HZ3 TRP 15 HZ3 TRP 15 -27.908 -2.450 2.162 113 HH2 TRP 15 HH2 TRP 15 -26.857 -4.640 2.370 114 H GLY 16 HN GLY 16 -20.495 1.035 2.408 115 HA2 GLY 16 HA2 GLY 16 -19.512 3.057 0.492 116 HA3 GLY 16 HA1 GLY 16 -18.795 2.898 2.080 117 H ILE 17 HN ILE 17 -17.689 2.635 -0.647 118 HA ILE 17 HA ILE 17 -16.632 -0.119 -0.507 119 HB ILE 17 HB ILE 17 -16.556 1.790 -2.873 120 HG12 ILE 17 HG12 ILE 17 -18.186 -0.089 -3.807 121 HG13 ILE 17 HG11 ILE 17 -18.543 -0.332 -2.102 122 HG21 ILE 17 HG21 ILE 17 -15.907 -1.154 -2.687 123 HG22 ILE 17 HG22 ILE 17 -14.747 0.162 -2.846 124 HG23 ILE 17 HG23 ILE 17 -15.879 -0.182 -4.156 125 HD11 ILE 17 HD11 ILE 17 -19.256 1.975 -1.898 126 HD12 ILE 17 HD12 ILE 17 -20.149 1.157 -3.182 127 HD13 ILE 17 HD13 ILE 17 -18.841 2.270 -3.585 128 H ARG 18 HN ARG 18 -14.597 -0.221 0.333 129 HA ARG 18 HA ARG 18 -12.861 2.148 0.075 130 HB2 ARG 18 HB2 ARG 18 -13.279 1.365 2.390 131 HB3 ARG 18 HB1 ARG 18 -12.615 -0.205 1.964 132 HG2 ARG 18 HG2 ARG 18 -10.455 0.870 1.468 133 HG3 ARG 18 HG1 ARG 18 -11.126 2.414 1.992 134 HD2 ARG 18 HD2 ARG 18 -9.864 1.491 3.807 135 HD3 ARG 18 HD1 ARG 18 -11.579 1.384 4.215 136 HE ARG 18 HE ARG 18 -11.479 -0.941 4.036 137 HH11 ARG 18 HH11 ARG 18 -8.362 0.468 3.138 138 HH12 ARG 18 HH12 ARG 18 -7.517 -1.040 3.225 139 HH21 ARG 18 HH21 ARG 18 -10.327 -2.909 4.164 140 HH22 ARG 18 HH22 ARG 18 -8.632 -2.965 3.766 141 H HIS 19 HN HIS 19 -10.979 2.004 -1.073 142 HA HIS 19 HA HIS 19 -10.428 -0.474 -2.464 143 HB2 HIS 19 HB2 HIS 19 -10.059 1.780 -3.522 144 HB3 HIS 19 HB1 HIS 19 -8.747 2.055 -2.383 145 HD1 HIS 19 HD1 HIS 19 -6.486 0.937 -2.880 146 HD2 HIS 19 HD2 HIS 19 -9.516 -0.148 -5.532 147 HE1 HIS 19 HE1 HIS 19 -5.346 -0.249 -4.785 148 H ASP 20 HN ASP 20 -9.499 -2.086 -1.382 149 HA ASP 20 HA ASP 20 -7.659 -1.514 0.794 150 HB2 ASP 20 HB2 ASP 20 -9.396 -3.214 1.130 151 HB3 ASP 20 HB1 ASP 20 -8.733 -4.146 -0.208 152 H ASP 21 HN ASP 21 -5.665 -1.113 0.197 153 HA ASP 21 HA ASP 21 -4.516 -2.823 -1.874 154 HB2 ASP 21 HB2 ASP 21 -3.016 -0.863 -2.472 155 HB3 ASP 21 HB1 ASP 21 -4.694 -0.761 -2.977 156 H ASP 22 HN ASP 22 -4.543 -2.375 1.217 157 HA ASP 22 HA ASP 22 -1.659 -2.713 1.551 158 HB2 ASP 22 HB2 ASP 22 -1.970 -1.980 3.863 159 HB3 ASP 22 HB1 ASP 22 -2.660 -0.786 2.771 160 HA PRO 23 HA PRO 23 -2.131 -6.897 2.761 161 HB2 PRO 23 HB2 PRO 23 -0.662 -6.626 5.284 162 HB3 PRO 23 HB1 PRO 23 -0.180 -7.425 3.790 163 HG2 PRO 23 HG2 PRO 23 0.967 -5.130 4.605 164 HG3 PRO 23 HG1 PRO 23 0.724 -5.501 2.887 165 HD2 PRO 23 HD2 PRO 23 -0.896 -3.746 4.701 166 HD3 PRO 23 HD1 PRO 23 -0.350 -3.448 3.039 167 H THR 24 HN THR 24 -4.408 -5.353 3.840 168 HA THR 24 HA THR 24 -4.884 -6.892 6.306 169 HB THR 24 HB THR 24 -6.739 -5.284 6.776 170 HG1 THR 24 HG1 THR 24 -5.591 -3.796 4.626 171 HG21 THR 24 HG21 THR 24 -5.301 -3.494 7.531 172 HG22 THR 24 HG22 THR 24 -4.063 -3.978 6.380 173 HG23 THR 24 HG23 THR 24 -4.451 -5.033 7.746 174 H GLY 25 HN GLY 25 -6.324 -6.047 3.174 175 HA2 GLY 25 HA2 GLY 25 -8.508 -7.901 3.744 176 HA3 GLY 25 HA1 GLY 25 -8.452 -6.734 2.435 177 H ASP 26 HN ASP 26 -7.380 -9.869 3.525 178 HA ASP 26 HA ASP 26 -6.288 -10.533 0.932 179 HB2 ASP 26 HB2 ASP 26 -6.028 -12.824 1.924 180 HB3 ASP 26 HB1 ASP 26 -5.224 -11.548 2.833 181 H TYR 27 HN TYR 27 -7.251 -11.997 -0.565 182 HA TYR 27 HA TYR 27 -9.999 -12.790 -0.081 183 HB2 TYR 27 HB2 TYR 27 -9.656 -10.284 -0.989 184 HB3 TYR 27 HB1 TYR 27 -9.643 -11.149 -2.518 185 HD1 TYR 27 HD1 TYR 27 -11.643 -11.832 0.554 186 HD2 TYR 27 HD2 TYR 27 -11.663 -10.599 -3.511 187 HE1 TYR 27 HE1 TYR 27 -14.099 -11.817 0.580 188 HE2 TYR 27 HE2 TYR 27 -14.108 -10.579 -3.504 189 HH TYR 27 HH TYR 27 -15.979 -11.608 -2.246 190 H SER 28 HN SER 28 -10.664 -14.450 -1.392 191 HA SER 28 HA SER 28 -8.700 -16.001 -2.665 192 HB2 SER 28 HB2 SER 28 -11.695 -16.269 -2.883 193 HB3 SER 28 HB1 SER 28 -10.498 -17.532 -3.170 194 HG SER 28 HG SER 28 -11.452 -17.626 -1.063 195 H SER 29 HN SER 29 -11.206 -13.867 -4.042 196 HA SER 29 HA SER 29 -9.857 -14.138 -6.627 197 HB2 SER 29 HB2 SER 29 -12.849 -14.403 -6.289 198 HB3 SER 29 HB1 SER 29 -11.955 -14.489 -7.800 199 HG SER 29 HG SER 29 -10.781 -16.284 -6.560 200 H LYS 30 HN LYS 30 -9.909 -12.348 -7.912 201 HA LYS 30 HA LYS 30 -10.459 -9.821 -6.730 202 HB2 LYS 30 HB2 LYS 30 -8.700 -10.188 -8.425 203 HB3 LYS 30 HB1 LYS 30 -9.959 -10.465 -9.627 204 HG2 LYS 30 HG2 LYS 30 -10.793 -8.231 -9.307 205 HG3 LYS 30 HG1 LYS 30 -9.601 -7.940 -8.046 206 HD2 LYS 30 HD2 LYS 30 -8.725 -6.904 -9.965 207 HD3 LYS 30 HD1 LYS 30 -7.835 -8.415 -9.822 208 HE2 LYS 30 HE2 LYS 30 -10.282 -8.193 -11.555 209 HE3 LYS 30 HE1 LYS 30 -8.699 -7.702 -12.145 210 HZ1 LYS 30 HZ1 LYS 30 -9.506 -10.420 -11.259 211 HZ2 LYS 30 HZ2 LYS 30 -7.915 -9.979 -11.620 212 HZ3 LYS 30 HZ3 LYS 30 -9.099 -9.925 -12.821 213 H GLU 31 HN GLU 31 -12.196 -11.874 -9.020 214 HA GLU 31 HA GLU 31 -14.129 -9.971 -9.780 215 HB2 GLU 31 HB2 GLU 31 -15.477 -11.811 -10.525 216 HB3 GLU 31 HB1 GLU 31 -13.806 -12.052 -11.040 217 HG2 GLU 31 HG2 GLU 31 -13.509 -13.637 -9.180 218 HG3 GLU 31 HG1 GLU 31 -15.194 -13.368 -8.718 219 H ALA 32 HN ALA 32 -13.926 -12.168 -7.073 220 HA ALA 32 HA ALA 32 -16.584 -11.890 -6.211 221 HB1 ALA 32 HB1 ALA 32 -15.146 -13.629 -5.319 222 HB2 ALA 32 HB2 ALA 32 -15.762 -12.603 -4.015 223 HB3 ALA 32 HB3 ALA 32 -14.106 -12.407 -4.583 224 H ALA 33 HN ALA 33 -13.754 -9.868 -5.829 225 HA ALA 33 HA ALA 33 -14.816 -8.213 -3.787 226 HB1 ALA 33 HB1 ALA 33 -12.737 -7.491 -5.860 227 HB2 ALA 33 HB2 ALA 33 -12.402 -8.331 -4.346 228 HB3 ALA 33 HB3 ALA 33 -13.026 -6.684 -4.317 229 H PHE 34 HN PHE 34 -14.595 -7.817 -7.330 230 HA PHE 34 HA PHE 34 -16.106 -5.412 -7.386 231 HB2 PHE 34 HB2 PHE 34 -15.641 -7.459 -9.565 232 HB3 PHE 34 HB1 PHE 34 -16.367 -5.874 -9.817 233 HD1 PHE 34 HD1 PHE 34 -13.469 -7.660 -10.126 234 HD2 PHE 34 HD2 PHE 34 -14.906 -3.929 -8.673 235 HE1 PHE 34 HE1 PHE 34 -11.224 -6.717 -10.373 236 HE2 PHE 34 HE2 PHE 34 -12.644 -2.972 -8.925 237 HZ PHE 34 HZ PHE 34 -10.798 -4.390 -9.772 238 H GLU 35 HN GLU 35 -16.938 -8.786 -7.788 239 HA GLU 35 HA GLU 35 -19.550 -8.624 -8.594 240 HB2 GLU 35 HB2 GLU 35 -18.250 -10.684 -8.514 241 HB3 GLU 35 HB1 GLU 35 -18.231 -10.618 -6.763 242 HG2 GLU 35 HG2 GLU 35 -20.645 -10.873 -6.715 243 HG3 GLU 35 HG1 GLU 35 -20.659 -10.934 -8.479 244 H ALA 36 HN ALA 36 -18.314 -8.972 -5.296 245 HA ALA 36 HA ALA 36 -20.856 -8.613 -4.073 246 HB1 ALA 36 HB1 ALA 36 -18.105 -8.324 -2.895 247 HB2 ALA 36 HB2 ALA 36 -19.098 -9.787 -2.921 248 HB3 ALA 36 HB3 ALA 36 -19.614 -8.383 -1.986 249 H ALA 37 HN ALA 37 -18.143 -6.422 -4.672 250 HA ALA 37 HA ALA 37 -19.142 -4.258 -3.226 251 HB1 ALA 37 HB1 ALA 37 -17.376 -4.066 -5.652 252 HB2 ALA 37 HB2 ALA 37 -16.819 -4.520 -4.042 253 HB3 ALA 37 HB3 ALA 37 -17.509 -2.915 -4.310 254 H CYS 38 HN CYS 38 -19.489 -4.999 -6.702 255 HA CYS 38 HA CYS 38 -21.004 -2.698 -7.231 256 HB2 CYS 38 HB2 CYS 38 -21.606 -3.740 -9.353 257 HB3 CYS 38 HB1 CYS 38 -19.893 -3.948 -9.023 258 HG CYS 38 HG CYS 38 -19.891 -6.558 -8.727 259 H ALA 39 HN ALA 39 -21.828 -5.976 -6.250 260 HA ALA 39 HA ALA 39 -24.601 -5.872 -6.579 261 HB1 ALA 39 HB1 ALA 39 -24.696 -7.729 -4.985 262 HB2 ALA 39 HB2 ALA 39 -23.021 -7.416 -4.533 263 HB3 ALA 39 HB3 ALA 39 -23.406 -7.957 -6.166 264 H ALA 40 HN ALA 40 -22.603 -5.209 -3.753 265 HA ALA 40 HA ALA 40 -24.687 -4.426 -2.013 266 HB1 ALA 40 HB1 ALA 40 -21.805 -3.526 -1.987 267 HB2 ALA 40 HB2 ALA 40 -22.426 -4.999 -1.244 268 HB3 ALA 40 HB3 ALA 40 -22.941 -3.423 -0.643 269 H ALA 41 HN ALA 41 -22.692 -2.519 -4.243 270 HA ALA 41 HA ALA 41 -23.726 0.003 -3.471 271 HB1 ALA 41 HB1 ALA 41 -21.615 -0.270 -4.700 272 HB2 ALA 41 HB2 ALA 41 -22.711 0.846 -5.514 273 HB3 ALA 41 HB3 ALA 41 -22.517 -0.800 -6.118 274 H SER 42 HN SER 42 -24.708 -2.304 -5.958 275 HA SER 42 HA SER 42 -26.659 -0.686 -7.158 276 HB2 SER 42 HB2 SER 42 -26.672 -3.695 -6.860 277 HB3 SER 42 HB1 SER 42 -27.619 -2.753 -8.019 278 HG SER 42 HG SER 42 -24.773 -2.922 -7.888 279 H ASN 43 HN ASN 43 -26.856 -2.992 -4.470 280 HA ASN 43 HA ASN 43 -29.608 -2.718 -3.949 281 HB2 ASN 43 HB2 ASN 43 -28.313 -4.549 -2.995 282 HB3 ASN 43 HB1 ASN 43 -27.328 -3.417 -2.078 283 HD21 ASN 43 HD21 ASN 43 -27.851 -4.178 -0.062 284 HD22 ASN 43 HD22 ASN 43 -29.429 -4.062 0.630 285 H ALA 44 HN ALA 44 -26.777 -0.988 -2.729 286 HA ALA 44 HA ALA 44 -28.077 0.531 -0.805 287 HB1 ALA 44 HB1 ALA 44 -26.141 1.970 -0.830 288 HB2 ALA 44 HB2 ALA 44 -25.661 1.345 -2.407 289 HB3 ALA 44 HB3 ALA 44 -25.623 0.290 -0.994 290 H ILE 45 HN ILE 45 -27.240 1.372 -4.146 291 HA ILE 45 HA ILE 45 -28.395 3.940 -4.131 292 HB ILE 45 HB ILE 45 -27.783 2.043 -6.385 293 HG12 ILE 45 HG12 ILE 45 -26.348 4.554 -5.496 294 HG13 ILE 45 HG11 ILE 45 -25.871 2.920 -5.046 295 HG21 ILE 45 HG21 ILE 45 -29.535 3.582 -7.124 296 HG22 ILE 45 HG22 ILE 45 -28.008 3.982 -7.910 297 HG23 ILE 45 HG23 ILE 45 -28.585 4.956 -6.557 298 HD11 ILE 45 HD11 ILE 45 -25.892 4.109 -7.811 299 HD12 ILE 45 HD12 ILE 45 -25.558 2.413 -7.453 300 HD13 ILE 45 HD13 ILE 45 -24.482 3.671 -6.842 301 H LYS 46 HN LYS 46 -29.614 0.788 -5.082 302 HA LYS 46 HA LYS 46 -32.024 1.586 -6.227 303 HB2 LYS 46 HB2 LYS 46 -31.170 -0.650 -6.503 304 HB3 LYS 46 HB1 LYS 46 -31.327 -0.970 -4.784 305 HG2 LYS 46 HG2 LYS 46 -33.749 -0.827 -4.964 306 HG3 LYS 46 HG1 LYS 46 -33.608 -0.447 -6.682 307 HD2 LYS 46 HD2 LYS 46 -32.559 -2.615 -7.078 308 HD3 LYS 46 HD1 LYS 46 -32.669 -2.990 -5.355 309 HE2 LYS 46 HE2 LYS 46 -35.009 -2.463 -7.187 310 HE3 LYS 46 HE1 LYS 46 -34.459 -4.052 -6.659 311 HZ1 LYS 46 HZ1 LYS 46 -34.864 -3.310 -4.340 312 HZ2 LYS 46 HZ2 LYS 46 -36.262 -3.387 -5.275 313 HZ3 LYS 46 HZ3 LYS 46 -35.562 -1.892 -4.942 314 H PHE 47 HN PHE 47 -31.274 0.830 -2.828 315 HA PHE 47 HA PHE 47 -34.056 1.267 -2.137 316 HB2 PHE 47 HB2 PHE 47 -32.366 -0.505 -1.136 317 HB3 PHE 47 HB1 PHE 47 -32.000 0.817 -0.032 318 HD1 PHE 47 HD1 PHE 47 -34.674 -1.407 -1.257 319 HD2 PHE 47 HD2 PHE 47 -33.560 1.473 1.666 320 HE1 PHE 47 HE1 PHE 47 -36.686 -1.950 0.033 321 HE2 PHE 47 HE2 PHE 47 -35.575 0.920 2.977 322 HZ PHE 47 HZ PHE 47 -37.139 -0.792 2.154 323 H GLY 48 HN GLY 48 -31.513 3.293 -2.625 324 HA2 GLY 48 HA2 GLY 48 -31.583 5.620 -2.291 325 HA3 GLY 48 HA1 GLY 48 -32.809 5.393 -1.053 326 H HIS 49 HN HIS 49 -30.326 3.269 -0.614 327 HA HIS 49 HA HIS 49 -29.340 4.500 1.749 328 HB2 HIS 49 HB2 HIS 49 -28.155 2.288 0.064 329 HB3 HIS 49 HB1 HIS 49 -27.661 2.683 1.713 330 HD2 HIS 49 HD2 HIS 49 -29.041 -0.261 0.749 331 HE1 HIS 49 HE1 HIS 49 -32.207 1.061 3.229 332 HE2 HIS 49 HE2 HIS 49 -31.113 -0.921 2.154 333 H GLU 50 HN GLU 50 -27.564 5.852 1.980 334 HA GLU 50 HA GLU 50 -26.542 7.134 -0.303 335 HB2 GLU 50 HB2 GLU 50 -26.507 8.160 1.940 336 HB3 GLU 50 HB1 GLU 50 -25.284 6.996 2.441 337 HG2 GLU 50 HG2 GLU 50 -23.830 7.861 0.587 338 HG3 GLU 50 HG1 GLU 50 -25.026 9.128 0.332 339 H VAL 51 HN VAL 51 -24.787 6.783 -1.522 340 HA VAL 51 HA VAL 51 -23.262 4.354 -0.961 341 HB VAL 51 HB VAL 51 -24.531 4.256 -3.077 342 HG11 VAL 51 HG11 VAL 51 -23.966 5.721 -4.961 343 HG12 VAL 51 HG12 VAL 51 -22.907 6.651 -3.903 344 HG13 VAL 51 HG13 VAL 51 -24.644 6.620 -3.602 345 HG21 VAL 51 HG21 VAL 51 -21.546 4.472 -3.480 346 HG22 VAL 51 HG22 VAL 51 -22.668 3.681 -4.587 347 HG23 VAL 51 HG23 VAL 51 -22.438 3.040 -2.959 348 H ARG 52 HN ARG 52 -21.112 4.516 -0.714 349 HA ARG 52 HA ARG 52 -19.886 7.138 -1.252 350 HB2 ARG 52 HB2 ARG 52 -20.385 6.549 1.199 351 HB3 ARG 52 HB1 ARG 52 -19.115 5.348 1.037 352 HG2 ARG 52 HG2 ARG 52 -18.005 7.134 1.967 353 HG3 ARG 52 HG1 ARG 52 -17.668 7.330 0.244 354 HD2 ARG 52 HD2 ARG 52 -20.035 8.691 1.474 355 HD3 ARG 52 HD1 ARG 52 -18.429 9.386 1.651 356 HE ARG 52 HE ARG 52 -18.320 9.494 -0.789 357 HH11 ARG 52 HH11 ARG 52 -21.551 9.051 0.584 358 HH12 ARG 52 HH12 ARG 52 -22.320 9.993 -0.632 359 HH21 ARG 52 HH21 ARG 52 -19.380 10.735 -2.401 360 HH22 ARG 52 HH22 ARG 52 -21.098 10.932 -2.349 361 H ILE 53 HN ILE 53 -18.350 6.894 -2.759 362 HA ILE 53 HA ILE 53 -17.017 4.295 -2.992 363 HB ILE 53 HB ILE 53 -17.037 6.633 -4.928 364 HG12 ILE 53 HG12 ILE 53 -18.430 3.958 -5.192 365 HG13 ILE 53 HG11 ILE 53 -19.232 5.434 -4.668 366 HG21 ILE 53 HG21 ILE 53 -15.000 5.289 -5.067 367 HG22 ILE 53 HG22 ILE 53 -16.001 5.078 -6.504 368 HG23 ILE 53 HG23 ILE 53 -15.970 3.828 -5.259 369 HD11 ILE 53 HD11 ILE 53 -17.928 4.955 -7.339 370 HD12 ILE 53 HD12 ILE 53 -18.658 6.472 -6.823 371 HD13 ILE 53 HD13 ILE 53 -19.661 5.031 -7.009 372 H THR 54 HN THR 54 -15.133 4.186 -1.944 373 HA THR 54 HA THR 54 -13.574 6.654 -1.784 374 HB THR 54 HB THR 54 -13.598 4.348 0.162 375 HG1 THR 54 HG1 THR 54 -14.936 6.812 0.032 376 HG21 THR 54 HG21 THR 54 -11.432 5.454 0.149 377 HG22 THR 54 HG22 THR 54 -12.311 5.930 1.605 378 HG23 THR 54 HG23 THR 54 -12.208 7.034 0.235 379 H VAL 55 HN VAL 55 -12.381 6.391 -3.553 380 HA VAL 55 HA VAL 55 -10.308 4.323 -3.468 381 HB VAL 55 HB VAL 55 -10.381 4.077 -5.922 382 HG11 VAL 55 HG11 VAL 55 -13.009 3.481 -4.582 383 HG12 VAL 55 HG12 VAL 55 -11.586 2.437 -4.638 384 HG13 VAL 55 HG13 VAL 55 -12.472 2.800 -6.116 385 HG21 VAL 55 HG21 VAL 55 -11.338 6.262 -6.486 386 HG22 VAL 55 HG22 VAL 55 -12.882 5.768 -5.792 387 HG23 VAL 55 HG23 VAL 55 -12.259 4.951 -7.224 388 HA PRO 56 HA PRO 56 -7.763 7.906 -4.172 389 HB2 PRO 56 HB2 PRO 56 -5.450 6.739 -4.863 390 HB3 PRO 56 HB1 PRO 56 -6.092 6.609 -3.222 391 HG2 PRO 56 HG2 PRO 56 -6.211 4.625 -5.458 392 HG3 PRO 56 HG1 PRO 56 -5.861 4.359 -3.738 393 HD2 PRO 56 HD2 PRO 56 -8.318 3.917 -4.878 394 HD3 PRO 56 HD1 PRO 56 -8.087 4.321 -3.165 395 H GLY 57 HN GLY 57 -7.159 9.241 -5.852 396 HA2 GLY 57 HA2 GLY 57 -7.373 8.091 -8.559 397 HA3 GLY 57 HA1 GLY 57 -8.145 9.614 -8.143 398 H ASN 58 HN ASN 58 -6.321 10.960 -6.761 399 HA ASN 58 HA ASN 58 -4.241 11.399 -8.749 400 HB2 ASN 58 HB2 ASN 58 -3.907 13.567 -7.717 401 HB3 ASN 58 HB1 ASN 58 -5.630 13.336 -7.988 402 HD21 ASN 58 HD21 ASN 58 -4.366 15.137 -6.183 403 HD22 ASN 58 HD22 ASN 58 -4.874 14.727 -4.579 404 H ASP 59 HN ASP 59 -2.087 12.139 -7.776 405 HA ASP 59 HA ASP 59 -1.101 9.961 -6.180 406 HB2 ASP 59 HB2 ASP 59 0.245 10.810 -8.042 407 HB3 ASP 59 HB1 ASP 59 0.372 12.378 -7.248 408 H GLY 60 HN GLY 60 -0.963 9.904 -4.095 409 HA2 GLY 60 HA2 GLY 60 -0.745 12.447 -2.617 410 HA3 GLY 60 HA1 GLY 60 -1.666 11.066 -2.023 411 H SER 61 HN SER 61 1.453 10.962 -3.637 412 HA SER 61 HA SER 61 2.478 9.307 -1.522 413 HB2 SER 61 HB2 SER 61 3.862 10.328 -4.005 414 HB3 SER 61 HB1 SER 61 4.402 9.007 -2.976 415 HG SER 61 HG SER 61 2.482 9.037 -4.949 416 H GLU 62 HN GLU 62 2.310 12.599 -1.997 417 HA GLU 62 HA GLU 62 4.876 13.187 -0.764 418 HB2 GLU 62 HB2 GLU 62 2.694 15.074 -1.667 419 HB3 GLU 62 HB1 GLU 62 4.295 15.538 -1.109 420 HG2 GLU 62 HG2 GLU 62 3.611 13.995 -3.599 421 HG3 GLU 62 HG1 GLU 62 4.260 15.633 -3.498 422 H THR 63 HN THR 63 2.305 11.964 0.463 423 HA THR 63 HA THR 63 2.630 13.292 3.015 424 HB THR 63 HB THR 63 0.701 14.484 2.199 425 HG1 THR 63 HG1 THR 63 -0.604 14.062 3.854 426 HG21 THR 63 HG21 THR 63 -1.346 13.299 1.435 427 HG22 THR 63 HG22 THR 63 -0.436 11.785 1.464 428 HG23 THR 63 HG23 THR 63 0.033 13.078 0.359 429 H ASN 64 HN ASN 64 2.096 11.931 4.771 430 HA ASN 64 HA ASN 64 1.986 9.105 3.993 431 HB2 ASN 64 HB2 ASN 64 2.956 8.580 6.160 432 HB3 ASN 64 HB1 ASN 64 3.949 9.775 5.333 433 HD21 ASN 64 HD21 ASN 64 1.954 9.102 8.044 434 HD22 ASN 64 HD22 ASN 64 2.228 10.575 8.898 435 H LEU 65 HN LEU 65 -0.047 11.456 4.883 436 HA LEU 65 HA LEU 65 -2.078 11.620 5.884 437 HB2 LEU 65 HB2 LEU 65 -2.163 8.682 5.158 438 HB3 LEU 65 HB1 LEU 65 -3.549 9.591 5.711 439 HG LEU 65 HG LEU 65 -3.818 9.460 3.404 440 HD11 LEU 65 HD11 LEU 65 -4.170 11.712 4.257 441 HD12 LEU 65 HD12 LEU 65 -3.626 11.727 2.579 442 HD13 LEU 65 HD13 LEU 65 -2.496 12.118 3.876 443 HD21 LEU 65 HD21 LEU 65 -2.067 9.984 1.761 444 HD22 LEU 65 HD22 LEU 65 -1.621 8.635 2.804 445 HD23 LEU 65 HD23 LEU 65 -0.921 10.231 3.080 446 H GLY 66 HN GLY 66 -3.573 9.779 7.411 447 HA2 GLY 66 HA2 GLY 66 -2.245 9.979 9.946 448 HA3 GLY 66 HA1 GLY 66 -3.824 9.251 9.646 449 H VAL 67 HN VAL 67 -2.100 8.036 11.407 450 HA VAL 67 HA VAL 67 -0.705 5.960 9.949 451 HB VAL 67 HB VAL 67 0.002 5.092 12.129 452 HG11 VAL 67 HG11 VAL 67 0.302 8.081 11.889 453 HG12 VAL 67 HG12 VAL 67 1.316 6.856 11.126 454 HG13 VAL 67 HG13 VAL 67 1.312 7.030 12.882 455 HG21 VAL 67 HG21 VAL 67 -1.697 7.284 13.324 456 HG22 VAL 67 HG22 VAL 67 -0.589 6.246 14.214 457 HG23 VAL 67 HG23 VAL 67 -2.010 5.553 13.434 458 H ILE 68 HN ILE 68 -1.334 3.912 9.681 459 HA ILE 68 HA ILE 68 -4.121 3.297 10.270 460 HB ILE 68 HB ILE 68 -2.074 1.726 8.658 461 HG12 ILE 68 HG12 ILE 68 -4.282 3.560 7.695 462 HG13 ILE 68 HG11 ILE 68 -2.574 3.976 7.726 463 HG21 ILE 68 HG21 ILE 68 -3.897 0.310 9.454 464 HG22 ILE 68 HG22 ILE 68 -4.020 0.556 7.713 465 HG23 ILE 68 HG23 ILE 68 -5.077 1.448 8.807 466 HD11 ILE 68 HD11 ILE 68 -3.880 1.824 6.068 467 HD12 ILE 68 HD12 ILE 68 -2.142 2.111 6.150 468 HD13 ILE 68 HD13 ILE 68 -3.210 3.352 5.492 469 H THR 69 HN THR 69 -1.180 2.917 11.731 470 HA THR 69 HA THR 69 -1.643 0.291 12.845 471 HB THR 69 HB THR 69 0.510 0.836 14.092 472 HG1 THR 69 HG1 THR 69 1.653 2.647 13.009 473 HG21 THR 69 HG21 THR 69 0.487 -0.494 12.032 474 HG22 THR 69 HG22 THR 69 1.914 0.541 12.100 475 HG23 THR 69 HG23 THR 69 0.549 0.983 11.071 476 H ASN 70 HN ASN 70 -1.687 -0.044 15.180 477 HA ASN 70 HA ASN 70 -3.080 2.151 16.548 478 HB2 ASN 70 HB2 ASN 70 -3.989 0.353 18.056 479 HB3 ASN 70 HB1 ASN 70 -4.508 0.223 16.385 480 HD21 ASN 70 HD21 ASN 70 -2.650 -1.201 18.917 481 HD22 ASN 70 HD22 ASN 70 -2.334 -2.710 18.131 Start of MODEL 14 1 H MET 1 HT1 MET 1 0.247 -3.715 -7.326 2 HA MET 1 HA MET 1 2.617 -4.851 -8.667 3 HB2 MET 1 HB2 MET 1 2.026 -4.471 -5.731 4 HB3 MET 1 HB1 MET 1 3.285 -5.533 -6.340 5 HG2 MET 1 HG2 MET 1 4.386 -3.616 -7.380 6 HG3 MET 1 HG1 MET 1 3.125 -2.557 -6.751 7 HE1 MET 1 HE1 MET 1 2.868 -1.841 -4.283 8 HE2 MET 1 HE2 MET 1 3.729 -2.585 -2.939 9 HE3 MET 1 HE3 MET 1 2.556 -3.525 -3.859 10 H GLY 2 HN GLY 2 0.579 -5.835 -5.922 11 HA2 GLY 2 HA2 GLY 2 0.232 -8.407 -7.288 12 HA3 GLY 2 HA1 GLY 2 0.064 -8.126 -5.561 13 H LYS 3 HN LYS 3 -1.929 -8.977 -5.353 14 HA LYS 3 HA LYS 3 -4.131 -8.460 -7.055 15 HB2 LYS 3 HB2 LYS 3 -3.960 -9.486 -4.222 16 HB3 LYS 3 HB1 LYS 3 -5.455 -9.412 -5.142 17 HG2 LYS 3 HG2 LYS 3 -4.582 -10.967 -6.772 18 HG3 LYS 3 HG1 LYS 3 -3.012 -10.978 -5.966 19 HD2 LYS 3 HD2 LYS 3 -5.570 -11.824 -4.607 20 HD3 LYS 3 HD1 LYS 3 -4.517 -12.950 -5.466 21 HE2 LYS 3 HE2 LYS 3 -2.660 -12.347 -3.993 22 HE3 LYS 3 HE1 LYS 3 -3.694 -11.197 -3.150 23 HZ1 LYS 3 HZ1 LYS 3 -5.033 -12.974 -2.341 24 HZ2 LYS 3 HZ2 LYS 3 -3.425 -13.351 -2.004 25 HZ3 LYS 3 HZ3 LYS 3 -4.221 -14.111 -3.286 26 H ALA 4 HN ALA 4 -5.703 -6.952 -6.990 27 HA ALA 4 HA ALA 4 -5.297 -4.676 -5.230 28 HB1 ALA 4 HB1 ALA 4 -7.206 -5.032 -7.547 29 HB2 ALA 4 HB2 ALA 4 -5.619 -4.270 -7.632 30 HB3 ALA 4 HB3 ALA 4 -6.902 -3.529 -6.675 31 H TYR 5 HN TYR 5 -6.137 -5.066 -3.262 32 HA TYR 5 HA TYR 5 -8.861 -6.140 -3.122 33 HB2 TYR 5 HB2 TYR 5 -7.300 -7.502 -1.879 34 HB3 TYR 5 HB1 TYR 5 -6.701 -6.077 -1.021 35 HD1 TYR 5 HD1 TYR 5 -9.810 -8.072 -1.555 36 HD2 TYR 5 HD2 TYR 5 -7.639 -5.494 1.046 37 HE1 TYR 5 HE1 TYR 5 -11.500 -8.421 0.197 38 HE2 TYR 5 HE2 TYR 5 -9.327 -5.842 2.806 39 HH TYR 5 HH TYR 5 -11.640 -8.300 2.675 40 H TYR 6 HN TYR 6 -10.464 -5.037 -2.219 41 HA TYR 6 HA TYR 6 -9.809 -2.647 -0.713 42 HB2 TYR 6 HB2 TYR 6 -11.637 -1.395 -1.806 43 HB3 TYR 6 HB1 TYR 6 -10.360 -1.827 -2.932 44 HD1 TYR 6 HD1 TYR 6 -13.838 -1.797 -2.331 45 HD2 TYR 6 HD2 TYR 6 -10.811 -3.978 -4.374 46 HE1 TYR 6 HE1 TYR 6 -15.536 -2.736 -3.826 47 HE2 TYR 6 HE2 TYR 6 -12.510 -4.923 -5.882 48 HH TYR 6 HH TYR 6 -14.988 -5.354 -5.804 49 H ASP 7 HN ASP 7 -10.846 -2.505 1.131 50 HA ASP 7 HA ASP 7 -12.686 -4.620 1.825 51 HB2 ASP 7 HB2 ASP 7 -10.929 -4.291 3.402 52 HB3 ASP 7 HB1 ASP 7 -11.156 -2.551 3.416 53 H ILE 8 HN ILE 8 -14.756 -4.323 1.387 54 HA ILE 8 HA ILE 8 -15.858 -1.647 1.230 55 HB ILE 8 HB ILE 8 -17.920 -2.740 0.415 56 HG12 ILE 8 HG12 ILE 8 -16.315 -5.308 0.544 57 HG13 ILE 8 HG11 ILE 8 -17.641 -4.892 1.624 58 HG21 ILE 8 HG21 ILE 8 -17.017 -3.450 -1.745 59 HG22 ILE 8 HG22 ILE 8 -15.401 -3.513 -1.036 60 HG23 ILE 8 HG23 ILE 8 -16.254 -1.976 -1.153 61 HD11 ILE 8 HD11 ILE 8 -17.843 -5.287 -1.354 62 HD12 ILE 8 HD12 ILE 8 -19.172 -4.863 -0.277 63 HD13 ILE 8 HD13 ILE 8 -18.365 -6.424 -0.112 64 H VAL 9 HN VAL 9 -17.790 -1.025 2.274 65 HA VAL 9 HA VAL 9 -18.112 -2.325 4.899 66 HB VAL 9 HB VAL 9 -18.798 0.527 4.118 67 HG11 VAL 9 HG11 VAL 9 -19.128 0.894 6.509 68 HG12 VAL 9 HG12 VAL 9 -18.765 -0.800 6.830 69 HG13 VAL 9 HG13 VAL 9 -20.208 -0.368 5.911 70 HG21 VAL 9 HG21 VAL 9 -16.489 -0.484 5.779 71 HG22 VAL 9 HG22 VAL 9 -16.875 1.208 5.448 72 HG23 VAL 9 HG23 VAL 9 -16.376 0.140 4.134 73 H GLY 10 HN GLY 10 -20.062 -3.208 5.342 74 HA2 GLY 10 HA2 GLY 10 -22.168 -2.688 3.360 75 HA3 GLY 10 HA1 GLY 10 -21.942 -4.227 4.180 76 H SER 11 HN SER 11 -23.655 -1.419 4.104 77 HA SER 11 HA SER 11 -25.091 -2.176 6.470 78 HB2 SER 11 HB2 SER 11 -23.864 0.593 6.225 79 HB3 SER 11 HB1 SER 11 -25.028 0.103 7.453 80 HG SER 11 HG SER 11 -22.926 -1.608 7.350 81 H ASP 12 HN ASP 12 -27.220 -1.511 6.365 82 HA ASP 12 HA ASP 12 -28.317 -1.071 3.845 83 HB2 ASP 12 HB2 ASP 12 -29.565 -2.166 5.603 84 HB3 ASP 12 HB1 ASP 12 -29.522 -0.708 6.588 85 H ASN 13 HN ASN 13 -27.625 1.220 6.451 86 HA ASN 13 HA ASN 13 -28.894 3.315 4.835 87 HB2 ASN 13 HB2 ASN 13 -27.978 3.274 7.699 88 HB3 ASN 13 HB1 ASN 13 -28.479 4.749 6.885 89 HD21 ASN 13 HD21 ASN 13 -29.505 1.725 8.221 90 HD22 ASN 13 HD22 ASN 13 -31.203 2.036 8.149 91 H ARG 14 HN ARG 14 -25.801 2.257 5.967 92 HA ARG 14 HA ARG 14 -24.614 4.548 4.552 93 HB2 ARG 14 HB2 ARG 14 -23.287 3.094 6.845 94 HB3 ARG 14 HB1 ARG 14 -22.784 4.596 6.089 95 HG2 ARG 14 HG2 ARG 14 -25.222 4.189 7.818 96 HG3 ARG 14 HG1 ARG 14 -23.734 5.018 8.272 97 HD2 ARG 14 HD2 ARG 14 -25.666 5.869 6.118 98 HD3 ARG 14 HD1 ARG 14 -25.496 6.606 7.706 99 HE ARG 14 HE ARG 14 -23.722 6.905 5.416 100 HH11 ARG 14 HH11 ARG 14 -24.151 7.446 8.876 101 HH12 ARG 14 HH12 ARG 14 -23.063 8.788 8.912 102 HH21 ARG 14 HH21 ARG 14 -22.381 8.662 5.462 103 HH22 ARG 14 HH22 ARG 14 -22.009 9.490 6.948 104 H TRP 15 HN TRP 15 -24.325 3.484 2.596 105 HA TRP 15 HA TRP 15 -22.659 1.085 2.753 106 HB2 TRP 15 HB2 TRP 15 -24.867 0.859 1.544 107 HB3 TRP 15 HB1 TRP 15 -24.288 2.035 0.370 108 HD1 TRP 15 HD1 TRP 15 -23.658 -1.558 1.531 109 HE1 TRP 15 HE1 TRP 15 -22.302 -2.788 -0.251 110 HE3 TRP 15 HE3 TRP 15 -22.713 2.356 -1.588 111 HZ2 TRP 15 HZ2 TRP 15 -21.005 -2.198 -2.664 112 HZ3 TRP 15 HZ3 TRP 15 -21.412 1.936 -3.618 113 HH2 TRP 15 HH2 TRP 15 -20.572 -0.294 -4.146 114 H GLY 16 HN GLY 16 -20.592 1.189 2.022 115 HA2 GLY 16 HA2 GLY 16 -19.836 3.386 0.274 116 HA3 GLY 16 HA1 GLY 16 -19.158 3.420 1.893 117 H ILE 17 HN ILE 17 -17.833 3.191 -0.715 118 HA ILE 17 HA ILE 17 -16.597 0.529 -0.500 119 HB ILE 17 HB ILE 17 -16.227 2.576 -2.697 120 HG12 ILE 17 HG12 ILE 17 -17.556 0.478 -3.843 121 HG13 ILE 17 HG11 ILE 17 -18.301 0.549 -2.246 122 HG21 ILE 17 HG21 ILE 17 -15.264 0.704 -3.958 123 HG22 ILE 17 HG22 ILE 17 -15.452 -0.333 -2.544 124 HG23 ILE 17 HG23 ILE 17 -14.353 1.043 -2.484 125 HD11 ILE 17 HD11 ILE 17 -18.064 2.872 -4.132 126 HD12 ILE 17 HD12 ILE 17 -18.916 2.841 -2.580 127 HD13 ILE 17 HD13 ILE 17 -19.494 1.862 -3.929 128 H ARG 18 HN ARG 18 -14.745 0.375 0.508 129 HA ARG 18 HA ARG 18 -13.063 2.766 0.861 130 HB2 ARG 18 HB2 ARG 18 -13.870 2.177 2.959 131 HB3 ARG 18 HB1 ARG 18 -13.862 0.468 2.591 132 HG2 ARG 18 HG2 ARG 18 -11.249 0.833 2.591 133 HG3 ARG 18 HG1 ARG 18 -11.691 2.200 3.629 134 HD2 ARG 18 HD2 ARG 18 -13.001 0.768 5.055 135 HD3 ARG 18 HD1 ARG 18 -12.701 -0.609 4.012 136 HE ARG 18 HE ARG 18 -11.208 0.173 6.194 137 HH11 ARG 18 HH11 ARG 18 -10.254 -0.502 2.877 138 HH12 ARG 18 HH12 ARG 18 -9.014 -1.624 3.350 139 HH21 ARG 18 HH21 ARG 18 -9.682 -1.471 6.729 140 HH22 ARG 18 HH22 ARG 18 -8.676 -2.157 5.486 141 H HIS 19 HN HIS 19 -11.353 2.598 -0.527 142 HA HIS 19 HA HIS 19 -10.357 0.011 -1.352 143 HB2 HIS 19 HB2 HIS 19 -10.318 2.044 -2.857 144 HB3 HIS 19 HB1 HIS 19 -9.045 2.697 -1.830 145 HD1 HIS 19 HD1 HIS 19 -9.503 0.798 -4.846 146 HD2 HIS 19 HD2 HIS 19 -6.693 0.760 -1.778 147 HE1 HIS 19 HE1 HIS 19 -7.497 -0.373 -5.779 148 H ASP 20 HN ASP 20 -8.839 -1.158 -0.445 149 HA ASP 20 HA ASP 20 -7.701 -0.106 1.981 150 HB2 ASP 20 HB2 ASP 20 -8.627 -2.528 1.531 151 HB3 ASP 20 HB1 ASP 20 -6.993 -2.801 0.911 152 H ASP 21 HN ASP 21 -5.816 0.806 2.058 153 HA ASP 21 HA ASP 21 -4.266 0.947 -0.396 154 HB2 ASP 21 HB2 ASP 21 -4.853 2.972 0.890 155 HB3 ASP 21 HB1 ASP 21 -3.829 2.412 2.210 156 H ASP 22 HN ASP 22 -4.279 -0.857 2.408 157 HA ASP 22 HA ASP 22 -1.609 -1.883 1.752 158 HB2 ASP 22 HB2 ASP 22 -1.570 -0.601 3.938 159 HB3 ASP 22 HB1 ASP 22 -2.731 -1.766 4.570 160 HA PRO 23 HA PRO 23 -4.808 -4.954 0.773 161 HB2 PRO 23 HB2 PRO 23 -2.351 -6.367 -0.125 162 HB3 PRO 23 HB1 PRO 23 -3.885 -6.136 -0.970 163 HG2 PRO 23 HG2 PRO 23 -1.722 -4.717 -1.627 164 HG3 PRO 23 HG1 PRO 23 -3.340 -3.994 -1.651 165 HD2 PRO 23 HD2 PRO 23 -1.132 -3.630 0.309 166 HD3 PRO 23 HD1 PRO 23 -2.375 -2.479 -0.221 167 H THR 24 HN THR 24 -5.547 -6.596 1.916 168 HA THR 24 HA THR 24 -4.166 -7.396 4.263 169 HB THR 24 HB THR 24 -6.257 -8.679 4.692 170 HG1 THR 24 HG1 THR 24 -7.459 -9.212 3.035 171 HG21 THR 24 HG21 THR 24 -7.795 -6.747 4.714 172 HG22 THR 24 HG22 THR 24 -6.702 -5.868 3.641 173 HG23 THR 24 HG23 THR 24 -6.183 -6.293 5.270 174 H GLY 25 HN GLY 25 -4.343 -8.459 1.059 175 HA2 GLY 25 HA2 GLY 25 -3.018 -10.083 0.059 176 HA3 GLY 25 HA1 GLY 25 -2.627 -10.711 1.651 177 H ASP 26 HN ASP 26 -4.991 -11.353 2.712 178 HA ASP 26 HA ASP 26 -5.637 -13.694 1.164 179 HB2 ASP 26 HB2 ASP 26 -5.291 -13.931 3.540 180 HB3 ASP 26 HB1 ASP 26 -6.621 -12.809 3.853 181 H TYR 27 HN TYR 27 -7.015 -13.545 -0.349 182 HA TYR 27 HA TYR 27 -9.710 -12.964 0.337 183 HB2 TYR 27 HB2 TYR 27 -8.651 -10.766 -0.563 184 HB3 TYR 27 HB1 TYR 27 -8.715 -11.576 -2.131 185 HD1 TYR 27 HD1 TYR 27 -10.924 -11.041 0.827 186 HD2 TYR 27 HD2 TYR 27 -10.610 -11.192 -3.406 187 HE1 TYR 27 HE1 TYR 27 -13.296 -10.447 0.642 188 HE2 TYR 27 HE2 TYR 27 -12.983 -10.596 -3.601 189 HH TYR 27 HH TYR 27 -15.040 -10.755 -2.207 190 H SER 28 HN SER 28 -11.015 -14.330 -0.764 191 HA SER 28 HA SER 28 -9.687 -16.502 -1.816 192 HB2 SER 28 HB2 SER 28 -11.808 -16.759 -0.692 193 HB3 SER 28 HB1 SER 28 -12.634 -15.828 -1.938 194 HG SER 28 HG SER 28 -11.456 -18.402 -2.168 195 H SER 29 HN SER 29 -11.522 -13.918 -3.524 196 HA SER 29 HA SER 29 -10.016 -14.366 -5.921 197 HB2 SER 29 HB2 SER 29 -11.685 -16.181 -6.144 198 HB3 SER 29 HB1 SER 29 -12.985 -15.001 -6.006 199 HG SER 29 HG SER 29 -12.642 -15.398 -8.178 200 H LYS 30 HN LYS 30 -10.154 -12.693 -7.388 201 HA LYS 30 HA LYS 30 -10.804 -10.109 -6.420 202 HB2 LYS 30 HB2 LYS 30 -9.114 -10.653 -8.169 203 HB3 LYS 30 HB1 LYS 30 -10.429 -10.996 -9.281 204 HG2 LYS 30 HG2 LYS 30 -11.191 -8.683 -9.088 205 HG3 LYS 30 HG1 LYS 30 -9.847 -8.349 -7.984 206 HD2 LYS 30 HD2 LYS 30 -8.262 -8.962 -9.753 207 HD3 LYS 30 HD1 LYS 30 -9.614 -9.278 -10.841 208 HE2 LYS 30 HE2 LYS 30 -10.291 -6.936 -10.683 209 HE3 LYS 30 HE1 LYS 30 -8.952 -6.618 -9.582 210 HZ1 LYS 30 HZ1 LYS 30 -7.413 -7.217 -11.348 211 HZ2 LYS 30 HZ2 LYS 30 -8.425 -5.952 -11.842 212 HZ3 LYS 30 HZ3 LYS 30 -8.702 -7.520 -12.400 213 H GLU 31 HN GLU 31 -12.580 -12.448 -8.341 214 HA GLU 31 HA GLU 31 -14.549 -10.731 -9.364 215 HB2 GLU 31 HB2 GLU 31 -15.776 -12.687 -9.908 216 HB3 GLU 31 HB1 GLU 31 -14.071 -13.063 -10.158 217 HG2 GLU 31 HG2 GLU 31 -14.123 -14.090 -7.842 218 HG3 GLU 31 HG1 GLU 31 -15.874 -13.915 -7.928 219 H ALA 32 HN ALA 32 -14.301 -12.508 -6.322 220 HA ALA 32 HA ALA 32 -16.985 -12.239 -5.537 221 HB1 ALA 32 HB1 ALA 32 -14.557 -12.456 -3.784 222 HB2 ALA 32 HB2 ALA 32 -15.467 -13.812 -4.458 223 HB3 ALA 32 HB3 ALA 32 -16.225 -12.727 -3.291 224 H ALA 33 HN ALA 33 -14.194 -10.156 -5.167 225 HA ALA 33 HA ALA 33 -15.412 -8.376 -3.332 226 HB1 ALA 33 HB1 ALA 33 -13.616 -6.817 -3.947 227 HB2 ALA 33 HB2 ALA 33 -13.145 -7.891 -5.264 228 HB3 ALA 33 HB3 ALA 33 -12.998 -8.428 -3.591 229 H PHE 34 HN PHE 34 -14.834 -8.088 -6.855 230 HA PHE 34 HA PHE 34 -16.353 -5.714 -7.075 231 HB2 PHE 34 HB2 PHE 34 -15.512 -7.705 -9.166 232 HB3 PHE 34 HB1 PHE 34 -16.321 -6.181 -9.528 233 HD1 PHE 34 HD1 PHE 34 -13.252 -7.785 -8.632 234 HD2 PHE 34 HD2 PHE 34 -15.239 -4.041 -8.957 235 HE1 PHE 34 HE1 PHE 34 -11.086 -6.650 -8.540 236 HE2 PHE 34 HE2 PHE 34 -13.046 -2.885 -8.875 237 HZ PHE 34 HZ PHE 34 -10.966 -4.230 -8.655 238 H GLU 35 HN GLU 35 -17.211 -9.106 -7.619 239 HA GLU 35 HA GLU 35 -19.700 -8.687 -8.750 240 HB2 GLU 35 HB2 GLU 35 -18.583 -10.874 -8.685 241 HB3 GLU 35 HB1 GLU 35 -18.870 -10.956 -6.953 242 HG2 GLU 35 HG2 GLU 35 -21.273 -10.913 -7.329 243 HG3 GLU 35 HG1 GLU 35 -21.004 -10.816 -9.065 244 H ALA 36 HN ALA 36 -18.886 -9.277 -5.343 245 HA ALA 36 HA ALA 36 -21.541 -8.881 -4.439 246 HB1 ALA 36 HB1 ALA 36 -19.018 -8.601 -2.830 247 HB2 ALA 36 HB2 ALA 36 -19.850 -10.122 -3.165 248 HB3 ALA 36 HB3 ALA 36 -20.652 -8.862 -2.219 249 H ALA 37 HN ALA 37 -18.744 -6.720 -4.664 250 HA ALA 37 HA ALA 37 -19.850 -4.559 -3.290 251 HB1 ALA 37 HB1 ALA 37 -17.845 -4.472 -5.531 252 HB2 ALA 37 HB2 ALA 37 -17.479 -4.737 -3.831 253 HB3 ALA 37 HB3 ALA 37 -18.153 -3.193 -4.354 254 H CYS 38 HN CYS 38 -19.849 -5.214 -6.812 255 HA CYS 38 HA CYS 38 -21.374 -2.924 -7.404 256 HB2 CYS 38 HB2 CYS 38 -21.824 -3.963 -9.598 257 HB3 CYS 38 HB1 CYS 38 -20.115 -3.936 -9.179 258 HG CYS 38 HG CYS 38 -19.992 -6.632 -8.526 259 H ALA 39 HN ALA 39 -22.238 -6.243 -6.607 260 HA ALA 39 HA ALA 39 -24.963 -6.140 -7.233 261 HB1 ALA 39 HB1 ALA 39 -25.211 -8.041 -5.727 262 HB2 ALA 39 HB2 ALA 39 -23.597 -7.743 -5.081 263 HB3 ALA 39 HB3 ALA 39 -23.798 -8.231 -6.765 264 H ALA 40 HN ALA 40 -23.283 -5.579 -4.175 265 HA ALA 40 HA ALA 40 -25.563 -4.799 -2.700 266 HB1 ALA 40 HB1 ALA 40 -23.415 -5.479 -1.681 267 HB2 ALA 40 HB2 ALA 40 -24.008 -3.941 -1.059 268 HB3 ALA 40 HB3 ALA 40 -22.699 -3.969 -2.244 269 H ALA 41 HN ALA 41 -23.334 -3.005 -4.736 270 HA ALA 41 HA ALA 41 -24.223 -0.421 -4.047 271 HB1 ALA 41 HB1 ALA 41 -23.126 0.315 -6.058 272 HB2 ALA 41 HB2 ALA 41 -23.064 -1.344 -6.666 273 HB3 ALA 41 HB3 ALA 41 -22.137 -0.890 -5.233 274 H SER 42 HN SER 42 -25.313 -2.680 -6.573 275 HA SER 42 HA SER 42 -27.124 -0.865 -7.668 276 HB2 SER 42 HB2 SER 42 -28.296 -2.845 -8.644 277 HB3 SER 42 HB1 SER 42 -26.563 -2.828 -8.955 278 HG SER 42 HG SER 42 -26.767 -4.170 -6.751 279 H ASN 43 HN ASN 43 -27.397 -3.188 -5.037 280 HA ASN 43 HA ASN 43 -30.130 -2.890 -4.420 281 HB2 ASN 43 HB2 ASN 43 -28.845 -4.670 -3.401 282 HB3 ASN 43 HB1 ASN 43 -27.738 -3.517 -2.664 283 HD21 ASN 43 HD21 ASN 43 -28.058 -4.035 -0.549 284 HD22 ASN 43 HD22 ASN 43 -29.555 -3.841 0.290 285 H ALA 44 HN ALA 44 -27.253 -1.197 -3.253 286 HA ALA 44 HA ALA 44 -28.518 0.397 -1.373 287 HB1 ALA 44 HB1 ALA 44 -26.492 1.752 -1.401 288 HB2 ALA 44 HB2 ALA 44 -25.991 0.970 -2.903 289 HB3 ALA 44 HB3 ALA 44 -26.114 0.025 -1.418 290 H ILE 45 HN ILE 45 -27.578 1.178 -4.702 291 HA ILE 45 HA ILE 45 -28.556 3.818 -4.653 292 HB ILE 45 HB ILE 45 -28.026 1.938 -6.944 293 HG12 ILE 45 HG12 ILE 45 -26.486 4.355 -5.980 294 HG13 ILE 45 HG11 ILE 45 -26.099 2.692 -5.559 295 HG21 ILE 45 HG21 ILE 45 -29.695 3.575 -7.668 296 HG22 ILE 45 HG22 ILE 45 -28.144 3.894 -8.439 297 HG23 ILE 45 HG23 ILE 45 -28.672 4.890 -7.081 298 HD11 ILE 45 HD11 ILE 45 -26.084 3.854 -8.334 299 HD12 ILE 45 HD12 ILE 45 -25.677 2.194 -7.907 300 HD13 ILE 45 HD13 ILE 45 -24.670 3.523 -7.335 301 H LYS 46 HN LYS 46 -30.005 0.777 -5.668 302 HA LYS 46 HA LYS 46 -32.342 1.828 -6.788 303 HB2 LYS 46 HB2 LYS 46 -31.556 -0.483 -7.137 304 HB3 LYS 46 HB1 LYS 46 -31.967 -0.862 -5.473 305 HG2 LYS 46 HG2 LYS 46 -34.308 -0.537 -5.919 306 HG3 LYS 46 HG1 LYS 46 -33.960 0.042 -7.547 307 HD2 LYS 46 HD2 LYS 46 -34.689 -2.248 -7.691 308 HD3 LYS 46 HD1 LYS 46 -32.965 -2.189 -8.060 309 HE2 LYS 46 HE2 LYS 46 -33.354 -4.070 -6.633 310 HE3 LYS 46 HE1 LYS 46 -32.511 -2.843 -5.694 311 HZ1 LYS 46 HZ1 LYS 46 -35.432 -3.358 -5.627 312 HZ2 LYS 46 HZ2 LYS 46 -34.616 -2.210 -4.696 313 HZ3 LYS 46 HZ3 LYS 46 -34.323 -3.852 -4.453 314 H PHE 47 HN PHE 47 -31.556 0.978 -3.448 315 HA PHE 47 HA PHE 47 -34.293 1.448 -2.579 316 HB2 PHE 47 HB2 PHE 47 -32.592 -0.329 -1.662 317 HB3 PHE 47 HB1 PHE 47 -31.996 1.004 -0.688 318 HD1 PHE 47 HD1 PHE 47 -34.702 -1.363 -1.203 319 HD2 PHE 47 HD2 PHE 47 -33.468 2.052 1.012 320 HE1 PHE 47 HE1 PHE 47 -36.497 -1.771 0.429 321 HE2 PHE 47 HE2 PHE 47 -35.266 1.646 2.636 322 HZ PHE 47 HZ PHE 47 -36.778 -0.264 2.348 323 H GLY 48 HN GLY 48 -31.621 3.409 -3.152 324 HA2 GLY 48 HA2 GLY 48 -31.444 5.726 -2.748 325 HA3 GLY 48 HA1 GLY 48 -32.809 5.607 -1.641 326 H HIS 49 HN HIS 49 -30.334 3.341 -1.278 327 HA HIS 49 HA HIS 49 -29.656 4.195 1.334 328 HB2 HIS 49 HB2 HIS 49 -28.344 2.254 -0.569 329 HB3 HIS 49 HB1 HIS 49 -27.823 2.478 1.096 330 HD2 HIS 49 HD2 HIS 49 -31.170 2.462 2.087 331 HE1 HIS 49 HE1 HIS 49 -30.646 -1.611 1.030 332 HE2 HIS 49 HE2 HIS 49 -31.766 -0.005 2.590 333 H GLU 50 HN GLU 50 -27.850 5.317 2.045 334 HA GLU 50 HA GLU 50 -26.681 7.177 0.311 335 HB2 GLU 50 HB2 GLU 50 -26.807 7.558 2.677 336 HB3 GLU 50 HB1 GLU 50 -25.770 6.173 3.002 337 HG2 GLU 50 HG2 GLU 50 -23.949 7.327 1.733 338 HG3 GLU 50 HG1 GLU 50 -24.989 8.741 1.626 339 H VAL 51 HN VAL 51 -24.982 7.074 -0.995 340 HA VAL 51 HA VAL 51 -23.312 4.648 -0.916 341 HB VAL 51 HB VAL 51 -24.011 6.386 -3.297 342 HG11 VAL 51 HG11 VAL 51 -21.749 5.450 -3.447 343 HG12 VAL 51 HG12 VAL 51 -22.829 4.740 -4.643 344 HG13 VAL 51 HG13 VAL 51 -22.404 3.834 -3.193 345 HG21 VAL 51 HG21 VAL 51 -25.874 4.976 -2.531 346 HG22 VAL 51 HG22 VAL 51 -24.841 3.553 -2.683 347 HG23 VAL 51 HG23 VAL 51 -25.274 4.485 -4.114 348 H ARG 52 HN ARG 52 -21.267 4.941 -0.450 349 HA ARG 52 HA ARG 52 -20.087 7.586 -0.969 350 HB2 ARG 52 HB2 ARG 52 -19.619 5.806 1.419 351 HB3 ARG 52 HB1 ARG 52 -18.708 7.268 1.065 352 HG2 ARG 52 HG2 ARG 52 -21.669 7.175 1.486 353 HG3 ARG 52 HG1 ARG 52 -20.486 7.594 2.739 354 HD2 ARG 52 HD2 ARG 52 -19.723 9.466 1.315 355 HD3 ARG 52 HD1 ARG 52 -20.966 9.047 0.137 356 HE ARG 52 HE ARG 52 -21.622 9.817 2.891 357 HH11 ARG 52 HH11 ARG 52 -22.084 10.165 -0.579 358 HH12 ARG 52 HH12 ARG 52 -23.389 11.284 -0.421 359 HH21 ARG 52 HH21 ARG 52 -23.382 11.299 3.088 360 HH22 ARG 52 HH22 ARG 52 -24.135 11.926 1.661 361 H ILE 53 HN ILE 53 -18.027 7.627 -1.707 362 HA ILE 53 HA ILE 53 -16.860 5.035 -2.366 363 HB ILE 53 HB ILE 53 -17.023 7.446 -4.202 364 HG12 ILE 53 HG12 ILE 53 -18.383 4.768 -4.524 365 HG13 ILE 53 HG11 ILE 53 -19.175 6.155 -3.788 366 HG21 ILE 53 HG21 ILE 53 -15.983 4.654 -4.717 367 HG22 ILE 53 HG22 ILE 53 -14.977 6.083 -4.466 368 HG23 ILE 53 HG23 ILE 53 -16.028 5.983 -5.879 369 HD11 ILE 53 HD11 ILE 53 -18.167 5.933 -6.605 370 HD12 ILE 53 HD12 ILE 53 -18.831 7.394 -5.872 371 HD13 ILE 53 HD13 ILE 53 -19.847 5.966 -6.056 372 H THR 54 HN THR 54 -15.057 4.999 -1.220 373 HA THR 54 HA THR 54 -13.434 7.425 -1.201 374 HB THR 54 HB THR 54 -12.600 6.575 1.066 375 HG1 THR 54 HG1 THR 54 -14.052 4.532 0.563 376 HG21 THR 54 HG21 THR 54 -15.450 7.559 0.801 377 HG22 THR 54 HG22 THR 54 -13.998 8.558 0.880 378 HG23 THR 54 HG23 THR 54 -14.492 7.609 2.280 379 H VAL 55 HN VAL 55 -12.032 6.929 -2.733 380 HA VAL 55 HA VAL 55 -10.496 4.449 -2.421 381 HB VAL 55 HB VAL 55 -10.050 4.600 -4.918 382 HG11 VAL 55 HG11 VAL 55 -11.630 2.989 -3.972 383 HG12 VAL 55 HG12 VAL 55 -12.201 3.591 -5.527 384 HG13 VAL 55 HG13 VAL 55 -12.907 4.203 -4.032 385 HG21 VAL 55 HG21 VAL 55 -10.693 6.940 -5.263 386 HG22 VAL 55 HG22 VAL 55 -12.352 6.559 -4.801 387 HG23 VAL 55 HG23 VAL 55 -11.666 5.866 -6.271 388 HA PRO 56 HA PRO 56 -7.521 7.953 -1.897 389 HB2 PRO 56 HB2 PRO 56 -6.261 6.998 0.263 390 HB3 PRO 56 HB1 PRO 56 -7.827 7.810 0.399 391 HG2 PRO 56 HG2 PRO 56 -7.226 4.876 0.337 392 HG3 PRO 56 HG1 PRO 56 -8.290 5.774 1.439 393 HD2 PRO 56 HD2 PRO 56 -9.219 4.412 -0.715 394 HD3 PRO 56 HD1 PRO 56 -9.999 5.884 -0.101 395 H GLY 57 HN GLY 57 -5.271 7.990 -2.255 396 HA2 GLY 57 HA2 GLY 57 -4.062 5.402 -2.985 397 HA3 GLY 57 HA1 GLY 57 -3.850 6.845 -3.971 398 H ASN 58 HN ASN 58 -2.454 4.971 -1.614 399 HA ASN 58 HA ASN 58 -0.578 5.177 -0.357 400 HB2 ASN 58 HB2 ASN 58 0.234 6.432 -2.441 401 HB3 ASN 58 HB1 ASN 58 -0.165 7.920 -1.596 402 HD21 ASN 58 HD21 ASN 58 1.171 8.637 0.020 403 HD22 ASN 58 HD22 ASN 58 2.706 7.931 0.378 404 H ASP 59 HN ASP 59 -3.175 6.084 0.525 405 HA ASP 59 HA ASP 59 -2.311 7.791 2.753 406 HB2 ASP 59 HB2 ASP 59 -3.453 9.286 1.211 407 HB3 ASP 59 HB1 ASP 59 -4.845 8.213 1.160 408 H GLY 60 HN GLY 60 -5.099 5.937 1.540 409 HA2 GLY 60 HA2 GLY 60 -6.059 4.060 2.520 410 HA3 GLY 60 HA1 GLY 60 -5.055 4.309 3.938 411 H SER 61 HN SER 61 -6.594 7.186 3.055 412 HA SER 61 HA SER 61 -8.332 8.378 3.863 413 HB2 SER 61 HB2 SER 61 -9.564 5.635 4.165 414 HB3 SER 61 HB1 SER 61 -10.442 7.128 4.491 415 HG SER 61 HG SER 61 -10.220 7.716 2.373 416 H GLU 62 HN GLU 62 -6.223 7.048 5.644 417 HA GLU 62 HA GLU 62 -5.581 7.090 7.817 418 HB2 GLU 62 HB2 GLU 62 -6.366 9.472 7.559 419 HB3 GLU 62 HB1 GLU 62 -7.918 8.978 8.213 420 HG2 GLU 62 HG2 GLU 62 -6.826 8.338 10.307 421 HG3 GLU 62 HG1 GLU 62 -5.273 8.843 9.648 422 H THR 63 HN THR 63 -7.173 4.956 7.050 423 HA THR 63 HA THR 63 -9.218 4.525 9.037 424 HB THR 63 HB THR 63 -9.462 3.561 6.757 425 HG1 THR 63 HG1 THR 63 -9.175 1.390 8.571 426 HG21 THR 63 HG21 THR 63 -7.124 1.815 7.563 427 HG22 THR 63 HG22 THR 63 -7.116 3.036 6.292 428 HG23 THR 63 HG23 THR 63 -8.114 1.592 6.123 429 H ASN 64 HN ASN 64 -9.165 2.803 10.579 430 HA ASN 64 HA ASN 64 -6.575 2.497 11.810 431 HB2 ASN 64 HB2 ASN 64 -7.810 1.322 13.614 432 HB3 ASN 64 HB1 ASN 64 -8.509 2.893 13.260 433 HD21 ASN 64 HD21 ASN 64 -10.539 3.012 12.316 434 HD22 ASN 64 HD22 ASN 64 -11.599 1.646 12.252 435 H LEU 65 HN LEU 65 -5.870 0.299 12.548 436 HA LEU 65 HA LEU 65 -5.985 -1.454 10.217 437 HB2 LEU 65 HB2 LEU 65 -4.054 -1.376 12.532 438 HB3 LEU 65 HB1 LEU 65 -3.975 -2.530 11.218 439 HG LEU 65 HG LEU 65 -3.782 -0.441 9.690 440 HD11 LEU 65 HD11 LEU 65 -2.739 1.495 10.724 441 HD12 LEU 65 HD12 LEU 65 -2.915 0.761 12.317 442 HD13 LEU 65 HD13 LEU 65 -4.347 1.220 11.395 443 HD21 LEU 65 HD21 LEU 65 -1.350 -0.415 9.987 444 HD22 LEU 65 HD22 LEU 65 -1.997 -2.057 10.032 445 HD23 LEU 65 HD23 LEU 65 -1.533 -1.250 11.527 446 H GLY 66 HN GLY 66 -7.778 -1.234 12.825 447 HA2 GLY 66 HA2 GLY 66 -7.635 -3.874 13.923 448 HA3 GLY 66 HA1 GLY 66 -8.934 -2.713 14.164 449 H VAL 67 HN VAL 67 -8.364 -5.689 13.034 450 HA VAL 67 HA VAL 67 -10.077 -5.481 10.702 451 HB VAL 67 HB VAL 67 -9.680 -7.979 10.485 452 HG11 VAL 67 HG11 VAL 67 -7.424 -7.709 9.606 453 HG12 VAL 67 HG12 VAL 67 -7.226 -6.219 10.524 454 HG13 VAL 67 HG13 VAL 67 -8.409 -6.299 9.218 455 HG21 VAL 67 HG21 VAL 67 -7.610 -7.469 12.626 456 HG22 VAL 67 HG22 VAL 67 -7.857 -8.979 11.741 457 HG23 VAL 67 HG23 VAL 67 -9.094 -8.396 12.851 458 H ILE 68 HN ILE 68 -12.145 -5.260 11.146 459 HA ILE 68 HA ILE 68 -13.371 -6.692 13.348 460 HB ILE 68 HB ILE 68 -14.513 -4.755 11.311 461 HG12 ILE 68 HG12 ILE 68 -14.995 -3.435 13.457 462 HG13 ILE 68 HG11 ILE 68 -13.917 -4.568 14.263 463 HG21 ILE 68 HG21 ILE 68 -16.245 -6.358 11.782 464 HG22 ILE 68 HG22 ILE 68 -16.626 -4.842 12.600 465 HG23 ILE 68 HG23 ILE 68 -15.972 -6.199 13.518 466 HD11 ILE 68 HD11 ILE 68 -12.759 -2.528 13.688 467 HD12 ILE 68 HD12 ILE 68 -13.201 -2.731 11.995 468 HD13 ILE 68 HD13 ILE 68 -12.106 -3.881 12.767 469 H THR 69 HN THR 69 -13.504 -6.638 9.828 470 HA THR 69 HA THR 69 -15.239 -8.967 9.798 471 HB THR 69 HB THR 69 -14.031 -7.558 7.419 472 HG1 THR 69 HG1 THR 69 -15.329 -5.931 7.769 473 HG21 THR 69 HG21 THR 69 -16.564 -9.157 7.813 474 HG22 THR 69 HG22 THR 69 -15.121 -9.688 6.953 475 HG23 THR 69 HG23 THR 69 -16.092 -8.360 6.316 476 H ASN 70 HN ASN 70 -14.143 -10.814 10.220 477 HA ASN 70 HA ASN 70 -12.097 -11.640 8.403 478 HB2 ASN 70 HB2 ASN 70 -10.341 -12.134 9.993 479 HB3 ASN 70 HB1 ASN 70 -10.734 -10.429 10.100 480 HD21 ASN 70 HD21 ASN 70 -13.076 -10.708 11.726 481 HD22 ASN 70 HD22 ASN 70 -12.547 -11.206 13.297 Start of MODEL 15 1 H MET 1 HT1 MET 1 1.061 -7.299 -12.090 2 HA MET 1 HA MET 1 0.875 -7.992 -9.222 3 HB2 MET 1 HB2 MET 1 1.544 -5.378 -10.604 4 HB3 MET 1 HB1 MET 1 1.246 -5.550 -8.881 5 HG2 MET 1 HG2 MET 1 3.192 -7.015 -8.696 6 HG3 MET 1 HG1 MET 1 3.488 -6.831 -10.424 7 HE1 MET 1 HE1 MET 1 2.865 -3.697 -10.895 8 HE2 MET 1 HE2 MET 1 4.193 -4.637 -11.573 9 HE3 MET 1 HE3 MET 1 4.524 -3.107 -10.757 10 H GLY 2 HN GLY 2 -1.266 -8.580 -9.232 11 HA2 GLY 2 HA2 GLY 2 -3.149 -6.520 -10.192 12 HA3 GLY 2 HA1 GLY 2 -3.517 -8.237 -10.133 13 H LYS 3 HN LYS 3 -1.721 -7.326 -7.471 14 HA LYS 3 HA LYS 3 -3.855 -7.846 -5.702 15 HB2 LYS 3 HB2 LYS 3 -1.535 -8.408 -5.132 16 HB3 LYS 3 HB1 LYS 3 -1.120 -6.701 -5.112 17 HG2 LYS 3 HG2 LYS 3 -2.454 -6.318 -3.170 18 HG3 LYS 3 HG1 LYS 3 -3.166 -7.925 -3.272 19 HD2 LYS 3 HD2 LYS 3 -1.491 -7.912 -1.530 20 HD3 LYS 3 HD1 LYS 3 -0.927 -8.902 -2.872 21 HE2 LYS 3 HE2 LYS 3 0.932 -7.629 -2.184 22 HE3 LYS 3 HE1 LYS 3 0.356 -6.862 -3.660 23 HZ1 LYS 3 HZ1 LYS 3 0.883 -5.222 -1.992 24 HZ2 LYS 3 HZ2 LYS 3 -0.160 -5.941 -0.882 25 HZ3 LYS 3 HZ3 LYS 3 -0.784 -5.209 -2.271 26 H ALA 4 HN ALA 4 -5.486 -6.527 -5.707 27 HA ALA 4 HA ALA 4 -5.169 -3.898 -4.552 28 HB1 ALA 4 HB1 ALA 4 -6.508 -2.782 -6.273 29 HB2 ALA 4 HB2 ALA 4 -6.584 -4.279 -7.198 30 HB3 ALA 4 HB3 ALA 4 -5.038 -3.458 -6.976 31 H TYR 5 HN TYR 5 -6.363 -4.420 -2.806 32 HA TYR 5 HA TYR 5 -8.883 -5.836 -3.233 33 HB2 TYR 5 HB2 TYR 5 -7.356 -6.903 -1.659 34 HB3 TYR 5 HB1 TYR 5 -7.287 -5.433 -0.695 35 HD1 TYR 5 HD1 TYR 5 -9.664 -8.029 -1.927 36 HD2 TYR 5 HD2 TYR 5 -8.799 -5.128 1.068 37 HE1 TYR 5 HE1 TYR 5 -11.585 -8.821 -0.612 38 HE2 TYR 5 HE2 TYR 5 -10.720 -5.917 2.390 39 HH TYR 5 HH TYR 5 -12.378 -8.811 1.700 40 H TYR 6 HN TYR 6 -10.762 -4.912 -2.916 41 HA TYR 6 HA TYR 6 -10.828 -2.240 -1.706 42 HB2 TYR 6 HB2 TYR 6 -12.756 -3.582 -3.626 43 HB3 TYR 6 HB1 TYR 6 -13.011 -2.000 -2.901 44 HD1 TYR 6 HD1 TYR 6 -11.041 -3.901 -5.357 45 HD2 TYR 6 HD2 TYR 6 -11.812 -0.069 -3.685 46 HE1 TYR 6 HE1 TYR 6 -9.822 -2.854 -7.215 47 HE2 TYR 6 HE2 TYR 6 -10.598 0.994 -5.541 48 HH TYR 6 HH TYR 6 -9.793 -0.610 -8.359 49 H ASP 7 HN ASP 7 -11.638 -2.196 0.295 50 HA ASP 7 HA ASP 7 -13.164 -4.492 1.198 51 HB2 ASP 7 HB2 ASP 7 -11.379 -3.898 2.705 52 HB3 ASP 7 HB1 ASP 7 -11.892 -2.210 2.728 53 H ILE 8 HN ILE 8 -15.229 -4.404 0.852 54 HA ILE 8 HA ILE 8 -16.544 -1.811 0.778 55 HB ILE 8 HB ILE 8 -18.473 -2.943 -0.237 56 HG12 ILE 8 HG12 ILE 8 -17.867 -5.241 0.825 57 HG13 ILE 8 HG11 ILE 8 -18.578 -5.221 -0.780 58 HG21 ILE 8 HG21 ILE 8 -17.438 -3.408 -2.411 59 HG22 ILE 8 HG22 ILE 8 -15.854 -3.393 -1.634 60 HG23 ILE 8 HG23 ILE 8 -16.839 -1.930 -1.658 61 HD11 ILE 8 HD11 ILE 8 -15.659 -5.608 -0.116 62 HD12 ILE 8 HD12 ILE 8 -16.322 -5.514 -1.745 63 HD13 ILE 8 HD13 ILE 8 -16.792 -6.835 -0.676 64 H VAL 9 HN VAL 9 -18.223 -1.245 1.998 65 HA VAL 9 HA VAL 9 -18.946 -3.072 4.197 66 HB VAL 9 HB VAL 9 -18.806 -0.041 4.288 67 HG11 VAL 9 HG11 VAL 9 -19.492 -2.054 6.428 68 HG12 VAL 9 HG12 VAL 9 -20.567 -0.853 5.714 69 HG13 VAL 9 HG13 VAL 9 -19.212 -0.337 6.718 70 HG21 VAL 9 HG21 VAL 9 -16.934 -0.345 5.844 71 HG22 VAL 9 HG22 VAL 9 -16.573 -1.032 4.261 72 HG23 VAL 9 HG23 VAL 9 -17.017 -2.091 5.601 73 H GLY 10 HN GLY 10 -21.080 -3.497 4.362 74 HA2 GLY 10 HA2 GLY 10 -22.819 -1.944 2.570 75 HA3 GLY 10 HA1 GLY 10 -23.056 -3.643 2.962 76 H SER 11 HN SER 11 -23.985 -0.579 3.589 77 HA SER 11 HA SER 11 -25.274 -1.357 6.096 78 HB2 SER 11 HB2 SER 11 -24.040 1.311 5.436 79 HB3 SER 11 HB1 SER 11 -24.873 0.891 6.942 80 HG SER 11 HG SER 11 -22.325 0.635 6.431 81 H ASP 12 HN ASP 12 -27.358 -0.619 6.294 82 HA ASP 12 HA ASP 12 -28.708 -0.003 3.907 83 HB2 ASP 12 HB2 ASP 12 -29.630 -0.194 6.742 84 HB3 ASP 12 HB1 ASP 12 -30.717 0.260 5.431 85 H ASN 13 HN ASN 13 -27.235 2.124 6.164 86 HA ASN 13 HA ASN 13 -28.790 4.285 4.889 87 HB2 ASN 13 HB2 ASN 13 -27.455 4.260 7.583 88 HB3 ASN 13 HB1 ASN 13 -28.108 5.710 6.832 89 HD21 ASN 13 HD21 ASN 13 -30.356 5.903 6.592 90 HD22 ASN 13 HD22 ASN 13 -31.449 4.940 7.515 91 H ARG 14 HN ARG 14 -25.571 3.165 5.735 92 HA ARG 14 HA ARG 14 -24.486 5.168 3.866 93 HB2 ARG 14 HB2 ARG 14 -23.088 4.452 6.448 94 HB3 ARG 14 HB1 ARG 14 -22.652 5.705 5.305 95 HG2 ARG 14 HG2 ARG 14 -25.081 5.703 7.084 96 HG3 ARG 14 HG1 ARG 14 -23.597 6.620 7.339 97 HD2 ARG 14 HD2 ARG 14 -25.383 6.917 4.934 98 HD3 ARG 14 HD1 ARG 14 -25.483 7.930 6.369 99 HE ARG 14 HE ARG 14 -23.543 8.064 4.257 100 HH11 ARG 14 HH11 ARG 14 -24.045 8.737 7.671 101 HH12 ARG 14 HH12 ARG 14 -23.053 10.150 7.674 102 HH21 ARG 14 HH21 ARG 14 -22.332 9.985 4.232 103 HH22 ARG 14 HH22 ARG 14 -22.043 10.861 5.710 104 H TRP 15 HN TRP 15 -24.072 3.662 2.289 105 HA TRP 15 HA TRP 15 -22.432 1.362 3.062 106 HB2 TRP 15 HB2 TRP 15 -23.792 0.226 1.679 107 HB3 TRP 15 HB1 TRP 15 -24.645 1.704 1.289 108 HD1 TRP 15 HD1 TRP 15 -23.911 2.969 -0.927 109 HE1 TRP 15 HE1 TRP 15 -22.787 2.119 -3.100 110 HE3 TRP 15 HE3 TRP 15 -22.072 -1.452 0.808 111 HZ2 TRP 15 HZ2 TRP 15 -21.314 -0.152 -3.938 112 HZ3 TRP 15 HZ3 TRP 15 -20.825 -2.909 -0.724 113 HH2 TRP 15 HH2 TRP 15 -20.454 -2.271 -3.050 114 H GLY 16 HN GLY 16 -20.388 1.206 2.542 115 HA2 GLY 16 HA2 GLY 16 -19.319 3.460 0.993 116 HA3 GLY 16 HA1 GLY 16 -18.609 2.959 2.511 117 H ILE 17 HN ILE 17 -17.543 3.153 -0.213 118 HA ILE 17 HA ILE 17 -16.541 0.396 -0.597 119 HB ILE 17 HB ILE 17 -16.678 2.626 -2.660 120 HG12 ILE 17 HG12 ILE 17 -18.535 0.245 -2.616 121 HG13 ILE 17 HG11 ILE 17 -18.922 1.660 -1.652 122 HG21 ILE 17 HG21 ILE 17 -16.334 0.793 -4.267 123 HG22 ILE 17 HG22 ILE 17 -16.262 -0.366 -2.941 124 HG23 ILE 17 HG23 ILE 17 -15.013 0.870 -3.097 125 HD11 ILE 17 HD11 ILE 17 -20.087 1.732 -3.711 126 HD12 ILE 17 HD12 ILE 17 -18.588 1.546 -4.636 127 HD13 ILE 17 HD13 ILE 17 -18.882 3.015 -3.694 128 H ARG 18 HN ARG 18 -14.599 0.517 0.532 129 HA ARG 18 HA ARG 18 -12.959 2.887 -0.042 130 HB2 ARG 18 HB2 ARG 18 -11.922 2.704 2.078 131 HB3 ARG 18 HB1 ARG 18 -13.636 2.467 2.382 132 HG2 ARG 18 HG2 ARG 18 -13.313 0.074 2.524 133 HG3 ARG 18 HG1 ARG 18 -11.609 0.257 2.120 134 HD2 ARG 18 HD2 ARG 18 -11.324 1.619 4.177 135 HD3 ARG 18 HD1 ARG 18 -13.004 1.274 4.591 136 HE ARG 18 HE ARG 18 -12.441 -1.026 4.874 137 HH11 ARG 18 HH11 ARG 18 -9.652 1.072 4.378 138 HH12 ARG 18 HH12 ARG 18 -8.519 -0.093 4.966 139 HH21 ARG 18 HH21 ARG 18 -10.930 -2.544 5.654 140 HH22 ARG 18 HH22 ARG 18 -9.243 -2.157 5.696 141 H HIS 19 HN HIS 19 -10.984 2.637 -0.892 142 HA HIS 19 HA HIS 19 -10.118 0.001 -1.680 143 HB2 HIS 19 HB2 HIS 19 -9.621 2.064 -3.047 144 HB3 HIS 19 HB1 HIS 19 -8.577 2.616 -1.742 145 HD1 HIS 19 HD1 HIS 19 -6.463 0.933 -1.222 146 HD2 HIS 19 HD2 HIS 19 -8.377 0.491 -4.889 147 HE1 HIS 19 HE1 HIS 19 -4.860 -0.336 -2.665 148 H ASP 20 HN ASP 20 -9.217 -1.340 -0.279 149 HA ASP 20 HA ASP 20 -8.518 -0.484 2.305 150 HB2 ASP 20 HB2 ASP 20 -9.247 -2.814 1.638 151 HB3 ASP 20 HB1 ASP 20 -7.620 -3.052 1.003 152 H ASP 21 HN ASP 21 -6.799 0.477 2.968 153 HA ASP 21 HA ASP 21 -4.570 0.797 1.124 154 HB2 ASP 21 HB2 ASP 21 -3.926 2.700 2.468 155 HB3 ASP 21 HB1 ASP 21 -5.654 2.777 2.123 156 H ASP 22 HN ASP 22 -5.428 -1.142 3.591 157 HA ASP 22 HA ASP 22 -2.695 -2.107 3.813 158 HB2 ASP 22 HB2 ASP 22 -3.194 -0.752 5.895 159 HB3 ASP 22 HB1 ASP 22 -4.505 -1.879 6.239 160 HA PRO 23 HA PRO 23 -5.769 -4.971 2.111 161 HB2 PRO 23 HB2 PRO 23 -3.271 -6.530 1.692 162 HB3 PRO 23 HB1 PRO 23 -4.582 -6.184 0.560 163 HG2 PRO 23 HG2 PRO 23 -2.250 -4.893 0.401 164 HG3 PRO 23 HG1 PRO 23 -3.788 -4.071 0.072 165 HD2 PRO 23 HD2 PRO 23 -2.007 -3.895 2.450 166 HD3 PRO 23 HD1 PRO 23 -3.033 -2.649 1.717 167 H THR 24 HN THR 24 -6.855 -6.483 3.074 168 HA THR 24 HA THR 24 -6.174 -7.477 5.598 169 HB THR 24 HB THR 24 -8.216 -8.894 5.276 170 HG1 THR 24 HG1 THR 24 -9.355 -8.500 3.258 171 HG21 THR 24 HG21 THR 24 -8.435 -6.589 6.067 172 HG22 THR 24 HG22 THR 24 -9.789 -7.006 5.019 173 HG23 THR 24 HG23 THR 24 -8.471 -6.006 4.405 174 H GLY 25 HN GLY 25 -5.805 -8.689 2.346 175 HA2 GLY 25 HA2 GLY 25 -3.955 -10.090 1.797 176 HA3 GLY 25 HA1 GLY 25 -4.045 -10.782 3.407 177 H ASP 26 HN ASP 26 -7.012 -11.032 3.142 178 HA ASP 26 HA ASP 26 -6.891 -13.533 1.647 179 HB2 ASP 26 HB2 ASP 26 -8.850 -12.529 3.687 180 HB3 ASP 26 HB1 ASP 26 -9.080 -14.008 2.744 181 H TYR 27 HN TYR 27 -7.340 -13.312 -0.364 182 HA TYR 27 HA TYR 27 -9.964 -12.423 -1.135 183 HB2 TYR 27 HB2 TYR 27 -9.151 -10.906 -2.900 184 HB3 TYR 27 HB1 TYR 27 -8.645 -10.329 -1.318 185 HD1 TYR 27 HD1 TYR 27 -7.533 -11.689 -4.535 186 HD2 TYR 27 HD2 TYR 27 -6.255 -10.388 -0.684 187 HE1 TYR 27 HE1 TYR 27 -5.216 -11.618 -5.335 188 HE2 TYR 27 HE2 TYR 27 -3.931 -10.315 -1.486 189 HH TYR 27 HH TYR 27 -3.119 -10.626 -4.832 190 H SER 28 HN SER 28 -10.705 -13.870 -2.607 191 HA SER 28 HA SER 28 -8.991 -15.911 -3.526 192 HB2 SER 28 HB2 SER 28 -11.007 -16.460 -5.021 193 HB3 SER 28 HB1 SER 28 -11.276 -16.490 -3.276 194 HG SER 28 HG SER 28 -12.819 -15.140 -3.704 195 H SER 29 HN SER 29 -10.401 -13.047 -4.937 196 HA SER 29 HA SER 29 -8.400 -12.414 -6.763 197 HB2 SER 29 HB2 SER 29 -10.713 -14.003 -7.915 198 HB3 SER 29 HB1 SER 29 -9.788 -12.872 -8.896 199 HG SER 29 HG SER 29 -8.381 -14.758 -7.401 200 H LYS 30 HN LYS 30 -9.551 -10.899 -8.570 201 HA LYS 30 HA LYS 30 -10.896 -8.851 -7.168 202 HB2 LYS 30 HB2 LYS 30 -10.308 -9.363 -10.057 203 HB3 LYS 30 HB1 LYS 30 -11.369 -8.041 -9.604 204 HG2 LYS 30 HG2 LYS 30 -9.666 -7.028 -8.292 205 HG3 LYS 30 HG1 LYS 30 -8.574 -8.397 -8.549 206 HD2 LYS 30 HD2 LYS 30 -8.645 -7.890 -10.996 207 HD3 LYS 30 HD1 LYS 30 -9.611 -6.465 -10.627 208 HE2 LYS 30 HE2 LYS 30 -6.839 -6.983 -9.547 209 HE3 LYS 30 HE1 LYS 30 -7.195 -5.978 -10.952 210 HZ1 LYS 30 HZ1 LYS 30 -8.536 -4.548 -9.516 211 HZ2 LYS 30 HZ2 LYS 30 -6.932 -4.609 -9.015 212 HZ3 LYS 30 HZ3 LYS 30 -8.109 -5.481 -8.171 213 H GLU 31 HN GLU 31 -12.040 -11.737 -8.557 214 HA GLU 31 HA GLU 31 -14.621 -10.968 -9.292 215 HB2 GLU 31 HB2 GLU 31 -13.532 -13.605 -8.352 216 HB3 GLU 31 HB1 GLU 31 -15.190 -13.390 -8.894 217 HG2 GLU 31 HG2 GLU 31 -14.428 -12.670 -11.047 218 HG3 GLU 31 HG1 GLU 31 -12.745 -12.817 -10.521 219 H ALA 32 HN ALA 32 -13.449 -12.307 -6.179 220 HA ALA 32 HA ALA 32 -15.998 -12.247 -4.960 221 HB1 ALA 32 HB1 ALA 32 -14.874 -12.460 -2.859 222 HB2 ALA 32 HB2 ALA 32 -13.334 -12.016 -3.598 223 HB3 ALA 32 HB3 ALA 32 -14.124 -13.535 -4.043 224 H ALA 33 HN ALA 33 -13.429 -9.866 -5.182 225 HA ALA 33 HA ALA 33 -14.621 -8.067 -3.338 226 HB1 ALA 33 HB1 ALA 33 -12.592 -7.498 -5.497 227 HB2 ALA 33 HB2 ALA 33 -12.224 -7.997 -3.847 228 HB3 ALA 33 HB3 ALA 33 -12.996 -6.438 -4.146 229 H PHE 34 HN PHE 34 -14.311 -7.910 -6.901 230 HA PHE 34 HA PHE 34 -16.007 -5.711 -7.101 231 HB2 PHE 34 HB2 PHE 34 -14.944 -7.611 -9.138 232 HB3 PHE 34 HB1 PHE 34 -16.103 -6.360 -9.577 233 HD1 PHE 34 HD1 PHE 34 -12.686 -7.065 -8.603 234 HD2 PHE 34 HD2 PHE 34 -15.549 -3.997 -9.321 235 HE1 PHE 34 HE1 PHE 34 -10.877 -5.421 -8.729 236 HE2 PHE 34 HE2 PHE 34 -13.722 -2.339 -9.455 237 HZ PHE 34 HZ PHE 34 -11.383 -3.072 -9.150 238 H GLU 35 HN GLU 35 -16.691 -9.190 -7.573 239 HA GLU 35 HA GLU 35 -19.254 -8.883 -8.623 240 HB2 GLU 35 HB2 GLU 35 -18.055 -11.028 -8.616 241 HB3 GLU 35 HB1 GLU 35 -18.267 -11.140 -6.876 242 HG2 GLU 35 HG2 GLU 35 -19.907 -12.534 -7.909 243 HG3 GLU 35 HG1 GLU 35 -20.728 -11.123 -7.234 244 H ALA 36 HN ALA 36 -18.241 -9.428 -5.250 245 HA ALA 36 HA ALA 36 -20.835 -9.265 -4.186 246 HB1 ALA 36 HB1 ALA 36 -18.231 -8.722 -2.800 247 HB2 ALA 36 HB2 ALA 36 -18.982 -10.307 -3.003 248 HB3 ALA 36 HB3 ALA 36 -19.782 -9.070 -2.032 249 H ALA 37 HN ALA 37 -18.289 -6.880 -4.685 250 HA ALA 37 HA ALA 37 -19.442 -4.753 -3.306 251 HB1 ALA 37 HB1 ALA 37 -17.964 -3.324 -4.556 252 HB2 ALA 37 HB2 ALA 37 -17.735 -4.581 -5.778 253 HB3 ALA 37 HB3 ALA 37 -17.119 -4.821 -4.144 254 H CYS 38 HN CYS 38 -19.672 -5.575 -6.780 255 HA CYS 38 HA CYS 38 -21.487 -3.486 -7.300 256 HB2 CYS 38 HB2 CYS 38 -21.900 -4.558 -9.460 257 HB3 CYS 38 HB1 CYS 38 -20.185 -4.384 -9.097 258 HG CYS 38 HG CYS 38 -21.019 -7.341 -8.042 259 H ALA 39 HN ALA 39 -21.928 -6.854 -6.361 260 HA ALA 39 HA ALA 39 -24.680 -7.078 -6.853 261 HB1 ALA 39 HB1 ALA 39 -23.045 -8.427 -4.708 262 HB2 ALA 39 HB2 ALA 39 -23.270 -9.010 -6.356 263 HB3 ALA 39 HB3 ALA 39 -24.644 -8.931 -5.256 264 H ALA 40 HN ALA 40 -22.922 -6.176 -3.921 265 HA ALA 40 HA ALA 40 -25.208 -5.501 -2.386 266 HB1 ALA 40 HB1 ALA 40 -23.654 -4.404 -0.876 267 HB2 ALA 40 HB2 ALA 40 -22.390 -4.453 -2.105 268 HB3 ALA 40 HB3 ALA 40 -22.990 -5.954 -1.398 269 H ALA 41 HN ALA 41 -23.194 -3.697 -4.619 270 HA ALA 41 HA ALA 41 -24.060 -1.108 -4.032 271 HB1 ALA 41 HB1 ALA 41 -22.097 -1.632 -5.438 272 HB2 ALA 41 HB2 ALA 41 -23.187 -0.472 -6.194 273 HB3 ALA 41 HB3 ALA 41 -23.186 -2.153 -6.723 274 H SER 42 HN SER 42 -25.396 -3.451 -6.376 275 HA SER 42 HA SER 42 -27.266 -1.646 -7.383 276 HB2 SER 42 HB2 SER 42 -28.573 -3.803 -7.992 277 HB3 SER 42 HB1 SER 42 -27.006 -3.500 -8.744 278 HG SER 42 HG SER 42 -27.594 -5.258 -6.589 279 H ASN 43 HN ASN 43 -27.479 -3.951 -4.695 280 HA ASN 43 HA ASN 43 -30.172 -3.438 -3.979 281 HB2 ASN 43 HB2 ASN 43 -29.098 -5.374 -3.038 282 HB3 ASN 43 HB1 ASN 43 -27.805 -4.397 -2.353 283 HD21 ASN 43 HD21 ASN 43 -28.091 -3.432 -0.368 284 HD22 ASN 43 HD22 ASN 43 -29.490 -3.657 0.612 285 H ALA 44 HN ALA 44 -27.127 -2.010 -2.959 286 HA ALA 44 HA ALA 44 -28.124 -0.304 -1.001 287 HB1 ALA 44 HB1 ALA 44 -25.684 0.062 -2.721 288 HB2 ALA 44 HB2 ALA 44 -25.767 -0.883 -1.235 289 HB3 ALA 44 HB3 ALA 44 -26.003 0.865 -1.183 290 H ILE 45 HN ILE 45 -27.372 0.338 -4.401 291 HA ILE 45 HA ILE 45 -28.112 3.045 -4.365 292 HB ILE 45 HB ILE 45 -27.906 1.079 -6.647 293 HG12 ILE 45 HG12 ILE 45 -25.784 1.578 -5.537 294 HG13 ILE 45 HG11 ILE 45 -25.814 2.283 -7.148 295 HG21 ILE 45 HG21 ILE 45 -28.279 4.064 -6.823 296 HG22 ILE 45 HG22 ILE 45 -29.467 2.842 -7.274 297 HG23 ILE 45 HG23 ILE 45 -27.958 2.979 -8.176 298 HD11 ILE 45 HD11 ILE 45 -24.805 3.817 -5.592 299 HD12 ILE 45 HD12 ILE 45 -26.218 3.745 -4.542 300 HD13 ILE 45 HD13 ILE 45 -26.345 4.474 -6.143 301 H LYS 46 HN LYS 46 -29.918 0.116 -5.196 302 HA LYS 46 HA LYS 46 -32.206 1.406 -6.136 303 HB2 LYS 46 HB2 LYS 46 -31.781 -0.981 -6.507 304 HB3 LYS 46 HB1 LYS 46 -32.072 -1.298 -4.799 305 HG2 LYS 46 HG2 LYS 46 -34.369 -0.514 -5.033 306 HG3 LYS 46 HG1 LYS 46 -34.081 -0.152 -6.732 307 HD2 LYS 46 HD2 LYS 46 -33.822 -2.897 -5.514 308 HD3 LYS 46 HD1 LYS 46 -35.279 -2.300 -6.313 309 HE2 LYS 46 HE2 LYS 46 -33.820 -1.866 -8.334 310 HE3 LYS 46 HE1 LYS 46 -32.556 -2.772 -7.504 311 HZ1 LYS 46 HZ1 LYS 46 -34.106 -4.665 -7.388 312 HZ2 LYS 46 HZ2 LYS 46 -33.731 -4.215 -8.971 313 HZ3 LYS 46 HZ3 LYS 46 -35.220 -3.780 -8.310 314 H PHE 47 HN PHE 47 -31.255 0.480 -2.869 315 HA PHE 47 HA PHE 47 -33.837 1.171 -1.775 316 HB2 PHE 47 HB2 PHE 47 -32.212 -0.694 -0.986 317 HB3 PHE 47 HB1 PHE 47 -31.392 0.605 -0.130 318 HD1 PHE 47 HD1 PHE 47 -34.355 -1.501 -0.285 319 HD2 PHE 47 HD2 PHE 47 -32.504 1.741 1.759 320 HE1 PHE 47 HE1 PHE 47 -35.947 -1.759 1.567 321 HE2 PHE 47 HE2 PHE 47 -34.097 1.480 3.616 322 HZ PHE 47 HZ PHE 47 -35.819 -0.266 3.523 323 H GLY 48 HN GLY 48 -31.246 2.953 -2.746 324 HA2 GLY 48 HA2 GLY 48 -30.960 5.242 -2.561 325 HA3 GLY 48 HA1 GLY 48 -32.205 5.277 -1.320 326 H HIS 49 HN HIS 49 -29.599 3.061 -1.005 327 HA HIS 49 HA HIS 49 -28.701 4.096 1.475 328 HB2 HIS 49 HB2 HIS 49 -27.464 2.194 -0.512 329 HB3 HIS 49 HB1 HIS 49 -26.715 2.550 1.040 330 HD2 HIS 49 HD2 HIS 49 -27.095 -0.337 1.284 331 HE1 HIS 49 HE1 HIS 49 -31.178 0.058 2.280 332 HE2 HIS 49 HE2 HIS 49 -29.152 -1.393 2.423 333 H GLU 50 HN GLU 50 -27.255 5.761 1.854 334 HA GLU 50 HA GLU 50 -26.151 7.267 -0.264 335 HB2 GLU 50 HB2 GLU 50 -26.473 8.146 2.080 336 HB3 GLU 50 HB1 GLU 50 -25.091 7.175 2.573 337 HG2 GLU 50 HG2 GLU 50 -23.715 8.396 0.886 338 HG3 GLU 50 HG1 GLU 50 -25.098 9.441 0.589 339 H VAL 51 HN VAL 51 -24.097 7.338 -1.099 340 HA VAL 51 HA VAL 51 -22.577 4.886 -0.646 341 HB VAL 51 HB VAL 51 -23.541 4.990 -2.890 342 HG11 VAL 51 HG11 VAL 51 -22.766 6.682 -4.509 343 HG12 VAL 51 HG12 VAL 51 -21.980 7.548 -3.188 344 HG13 VAL 51 HG13 VAL 51 -23.735 7.362 -3.202 345 HG21 VAL 51 HG21 VAL 51 -21.407 3.861 -2.622 346 HG22 VAL 51 HG22 VAL 51 -20.551 5.378 -2.899 347 HG23 VAL 51 HG23 VAL 51 -21.489 4.645 -4.200 348 H ARG 52 HN ARG 52 -20.478 4.992 -0.249 349 HA ARG 52 HA ARG 52 -19.153 7.631 -0.274 350 HB2 ARG 52 HB2 ARG 52 -19.648 6.659 2.018 351 HB3 ARG 52 HB1 ARG 52 -18.571 5.338 1.596 352 HG2 ARG 52 HG2 ARG 52 -17.149 6.656 2.773 353 HG3 ARG 52 HG1 ARG 52 -16.872 7.282 1.147 354 HD2 ARG 52 HD2 ARG 52 -18.919 8.479 2.985 355 HD3 ARG 52 HD1 ARG 52 -17.228 8.964 3.042 356 HE ARG 52 HE ARG 52 -17.443 9.846 0.847 357 HH11 ARG 52 HH11 ARG 52 -20.510 8.615 2.002 358 HH12 ARG 52 HH12 ARG 52 -21.457 9.794 1.189 359 HH21 ARG 52 HH21 ARG 52 -18.689 11.397 -0.282 360 HH22 ARG 52 HH22 ARG 52 -20.413 11.369 -0.155 361 H ILE 53 HN ILE 53 -17.682 7.566 -1.905 362 HA ILE 53 HA ILE 53 -16.374 4.996 -2.388 363 HB ILE 53 HB ILE 53 -17.464 5.806 -4.391 364 HG12 ILE 53 HG12 ILE 53 -15.506 5.983 -5.945 365 HG13 ILE 53 HG11 ILE 53 -14.467 6.131 -4.532 366 HG21 ILE 53 HG21 ILE 53 -17.652 8.147 -3.963 367 HG22 ILE 53 HG22 ILE 53 -16.806 7.918 -5.494 368 HG23 ILE 53 HG23 ILE 53 -15.902 8.352 -4.042 369 HD11 ILE 53 HD11 ILE 53 -15.146 3.911 -3.793 370 HD12 ILE 53 HD12 ILE 53 -14.464 3.867 -5.420 371 HD13 ILE 53 HD13 ILE 53 -16.210 3.769 -5.192 372 H THR 54 HN THR 54 -14.531 4.811 -1.366 373 HA THR 54 HA THR 54 -12.920 7.232 -1.147 374 HB THR 54 HB THR 54 -12.959 4.916 0.791 375 HG1 THR 54 HG1 THR 54 -14.303 7.402 0.714 376 HG21 THR 54 HG21 THR 54 -11.622 7.626 0.927 377 HG22 THR 54 HG22 THR 54 -10.801 6.081 0.709 378 HG23 THR 54 HG23 THR 54 -11.637 6.431 2.222 379 H VAL 55 HN VAL 55 -11.769 6.862 -2.966 380 HA VAL 55 HA VAL 55 -9.783 4.684 -2.787 381 HB VAL 55 HB VAL 55 -10.651 6.126 -5.315 382 HG11 VAL 55 HG11 VAL 55 -9.321 4.428 -6.484 383 HG12 VAL 55 HG12 VAL 55 -8.812 3.760 -4.932 384 HG13 VAL 55 HG13 VAL 55 -8.327 5.389 -5.390 385 HG21 VAL 55 HG21 VAL 55 -12.425 4.668 -4.509 386 HG22 VAL 55 HG22 VAL 55 -11.290 3.328 -4.372 387 HG23 VAL 55 HG23 VAL 55 -11.686 3.987 -5.959 388 HA PRO 56 HA PRO 56 -7.463 8.569 -1.959 389 HB2 PRO 56 HB2 PRO 56 -5.588 6.695 -0.683 390 HB3 PRO 56 HB1 PRO 56 -6.403 8.106 0.000 391 HG2 PRO 56 HG2 PRO 56 -7.089 5.600 0.707 392 HG3 PRO 56 HG1 PRO 56 -8.287 6.902 0.584 393 HD2 PRO 56 HD2 PRO 56 -7.668 4.707 -1.357 394 HD3 PRO 56 HD1 PRO 56 -9.245 5.347 -0.846 395 H GLY 57 HN GLY 57 -5.697 9.404 -2.974 396 HA2 GLY 57 HA2 GLY 57 -4.095 7.558 -4.628 397 HA3 GLY 57 HA1 GLY 57 -4.658 9.116 -5.227 398 H ASN 58 HN ASN 58 -4.182 10.855 -3.345 399 HA ASN 58 HA ASN 58 -1.289 10.873 -3.119 400 HB2 ASN 58 HB2 ASN 58 -1.639 13.228 -2.307 401 HB3 ASN 58 HB1 ASN 58 -2.239 12.922 -3.929 402 HD21 ASN 58 HD21 ASN 58 -4.390 13.076 -4.340 403 HD22 ASN 58 HD22 ASN 58 -5.540 13.666 -3.189 404 H ASP 59 HN ASP 59 -0.341 11.672 -1.046 405 HA ASP 59 HA ASP 59 -1.325 9.938 1.059 406 HB2 ASP 59 HB2 ASP 59 1.168 11.655 0.977 407 HB3 ASP 59 HB1 ASP 59 0.779 10.476 2.220 408 H GLY 60 HN GLY 60 -3.256 11.215 1.433 409 HA2 GLY 60 HA2 GLY 60 -4.490 12.516 2.875 410 HA3 GLY 60 HA1 GLY 60 -3.021 12.718 3.813 411 H SER 61 HN SER 61 -2.661 13.712 0.619 412 HA SER 61 HA SER 61 -2.335 15.697 -0.371 413 HB2 SER 61 HB2 SER 61 -4.441 16.728 1.546 414 HB3 SER 61 HB1 SER 61 -3.894 17.528 0.071 415 HG SER 61 HG SER 61 -4.603 15.006 -0.502 416 H GLU 62 HN GLU 62 -0.249 15.450 0.684 417 HA GLU 62 HA GLU 62 1.609 16.437 1.463 418 HB2 GLU 62 HB2 GLU 62 0.562 18.451 0.368 419 HB3 GLU 62 HB1 GLU 62 -0.063 18.908 1.943 420 HG2 GLU 62 HG2 GLU 62 2.200 19.148 2.794 421 HG3 GLU 62 HG1 GLU 62 2.851 18.616 1.242 422 H THR 63 HN THR 63 -0.462 15.170 3.340 423 HA THR 63 HA THR 63 0.330 16.437 5.846 424 HB THR 63 HB THR 63 -1.088 14.626 6.903 425 HG1 THR 63 HG1 THR 63 -2.033 13.178 5.667 426 HG21 THR 63 HG21 THR 63 -3.226 15.639 6.222 427 HG22 THR 63 HG22 THR 63 -2.415 16.402 4.854 428 HG23 THR 63 HG23 THR 63 -1.980 16.854 6.502 429 H ASN 64 HN ASN 64 1.499 14.179 3.735 430 HA ASN 64 HA ASN 64 2.820 12.517 5.723 431 HB2 ASN 64 HB2 ASN 64 1.939 11.478 3.655 432 HB3 ASN 64 HB1 ASN 64 3.030 12.476 2.701 433 HD21 ASN 64 HD21 ASN 64 4.054 10.673 1.838 434 HD22 ASN 64 HD22 ASN 64 5.145 9.697 2.758 435 H LEU 65 HN LEU 65 4.706 13.044 6.545 436 HA LEU 65 HA LEU 65 6.102 15.363 5.648 437 HB2 LEU 65 HB2 LEU 65 6.778 13.307 7.751 438 HB3 LEU 65 HB1 LEU 65 7.782 14.699 7.417 439 HG LEU 65 HG LEU 65 5.739 16.123 7.992 440 HD11 LEU 65 HD11 LEU 65 4.055 14.366 7.833 441 HD12 LEU 65 HD12 LEU 65 4.070 15.103 9.437 442 HD13 LEU 65 HD13 LEU 65 4.805 13.518 9.188 443 HD21 LEU 65 HD21 LEU 65 6.170 15.936 10.406 444 HD22 LEU 65 HD22 LEU 65 7.658 15.931 9.460 445 HD23 LEU 65 HD23 LEU 65 7.030 14.421 10.121 446 H GLY 66 HN GLY 66 7.806 15.538 4.365 447 HA2 GLY 66 HA2 GLY 66 9.819 14.909 3.364 448 HA3 GLY 66 HA1 GLY 66 9.528 13.249 3.865 449 H VAL 67 HN VAL 67 10.441 13.737 1.366 450 HA VAL 67 HA VAL 67 8.148 13.671 -0.407 451 HB VAL 67 HB VAL 67 9.989 14.999 -1.216 452 HG11 VAL 67 HG11 VAL 67 11.702 12.536 -0.967 453 HG12 VAL 67 HG12 VAL 67 11.813 14.002 0.009 454 HG13 VAL 67 HG13 VAL 67 12.195 14.058 -1.712 455 HG21 VAL 67 HG21 VAL 67 9.845 12.418 -2.762 456 HG22 VAL 67 HG22 VAL 67 10.421 13.961 -3.391 457 HG23 VAL 67 HG23 VAL 67 8.734 13.781 -2.908 458 H ILE 68 HN ILE 68 7.161 11.825 -0.820 459 HA ILE 68 HA ILE 68 8.556 9.342 -0.294 460 HB ILE 68 HB ILE 68 6.327 9.451 0.599 461 HG12 ILE 68 HG12 ILE 68 6.287 7.636 -1.826 462 HG13 ILE 68 HG11 ILE 68 7.098 7.270 -0.308 463 HG21 ILE 68 HG21 ILE 68 5.354 11.134 -0.822 464 HG22 ILE 68 HG22 ILE 68 4.324 9.707 -0.800 465 HG23 ILE 68 HG23 ILE 68 5.357 10.027 -2.193 466 HD11 ILE 68 HD11 ILE 68 4.137 7.648 -0.699 467 HD12 ILE 68 HD12 ILE 68 4.931 7.331 0.843 468 HD13 ILE 68 HD13 ILE 68 4.976 6.118 -0.439 469 H THR 69 HN THR 69 9.842 8.655 -1.832 470 HA THR 69 HA THR 69 9.067 9.037 -4.608 471 HB THR 69 HB THR 69 11.350 9.760 -3.928 472 HG1 THR 69 HG1 THR 69 11.476 9.350 -6.010 473 HG21 THR 69 HG21 THR 69 11.855 6.802 -3.538 474 HG22 THR 69 HG22 THR 69 11.810 8.011 -2.256 475 HG23 THR 69 HG23 THR 69 13.074 8.075 -3.485 476 H ASN 70 HN ASN 70 9.034 7.345 -6.079 477 HA ASN 70 HA ASN 70 9.236 4.637 -5.121 478 HB2 ASN 70 HB2 ASN 70 6.950 4.020 -5.961 479 HB3 ASN 70 HB1 ASN 70 6.934 5.049 -4.540 480 HD21 ASN 70 HD21 ASN 70 4.852 4.599 -6.483 481 HD22 ASN 70 HD22 ASN 70 4.440 6.135 -7.158 Start of MODEL 16 1 H MET 1 HT1 MET 1 1.569 -10.426 -4.623 2 HA MET 1 HA MET 1 1.313 -8.469 -3.254 3 HB2 MET 1 HB2 MET 1 3.572 -9.254 -3.791 4 HB3 MET 1 HB1 MET 1 3.565 -8.315 -5.272 5 HG2 MET 1 HG2 MET 1 3.443 -6.249 -3.958 6 HG3 MET 1 HG1 MET 1 3.470 -7.207 -2.477 7 HE1 MET 1 HE1 MET 1 5.575 -8.392 -1.496 8 HE2 MET 1 HE2 MET 1 7.052 -8.680 -2.415 9 HE3 MET 1 HE3 MET 1 5.541 -9.450 -2.908 10 H GLY 2 HN GLY 2 0.327 -6.560 -3.116 11 HA2 GLY 2 HA2 GLY 2 -0.369 -4.433 -3.704 12 HA3 GLY 2 HA1 GLY 2 0.630 -4.545 -5.150 13 H LYS 3 HN LYS 3 -1.799 -6.897 -4.290 14 HA LYS 3 HA LYS 3 -3.055 -6.790 -6.817 15 HB2 LYS 3 HB2 LYS 3 -2.981 -8.777 -5.283 16 HB3 LYS 3 HB1 LYS 3 -4.131 -7.956 -4.243 17 HG2 LYS 3 HG2 LYS 3 -5.324 -9.535 -5.569 18 HG3 LYS 3 HG1 LYS 3 -5.732 -7.919 -6.153 19 HD2 LYS 3 HD2 LYS 3 -4.094 -8.174 -7.964 20 HD3 LYS 3 HD1 LYS 3 -3.717 -9.796 -7.383 21 HE2 LYS 3 HE2 LYS 3 -6.004 -10.496 -7.817 22 HE3 LYS 3 HE1 LYS 3 -6.418 -8.865 -8.346 23 HZ1 LYS 3 HZ1 LYS 3 -4.414 -10.627 -9.649 24 HZ2 LYS 3 HZ2 LYS 3 -4.879 -9.089 -10.171 25 HZ3 LYS 3 HZ3 LYS 3 -5.984 -10.360 -10.208 26 H ALA 4 HN ALA 4 -4.996 -5.855 -7.466 27 HA ALA 4 HA ALA 4 -5.805 -3.542 -5.966 28 HB1 ALA 4 HB1 ALA 4 -7.267 -3.068 -7.854 29 HB2 ALA 4 HB2 ALA 4 -6.944 -4.665 -8.524 30 HB3 ALA 4 HB3 ALA 4 -5.648 -3.476 -8.420 31 H TYR 5 HN TYR 5 -6.728 -4.238 -4.125 32 HA TYR 5 HA TYR 5 -9.201 -5.798 -4.360 33 HB2 TYR 5 HB2 TYR 5 -7.715 -7.120 -3.097 34 HB3 TYR 5 HB1 TYR 5 -7.080 -5.739 -2.223 35 HD1 TYR 5 HD1 TYR 5 -10.339 -7.560 -2.682 36 HD2 TYR 5 HD2 TYR 5 -7.732 -5.489 -0.020 37 HE1 TYR 5 HE1 TYR 5 -11.851 -8.067 -0.798 38 HE2 TYR 5 HE2 TYR 5 -9.231 -5.993 1.854 39 HH TYR 5 HH TYR 5 -11.668 -6.532 2.209 40 H TYR 6 HN TYR 6 -11.013 -4.813 -3.826 41 HA TYR 6 HA TYR 6 -10.871 -2.279 -2.372 42 HB2 TYR 6 HB2 TYR 6 -12.985 -3.530 -4.118 43 HB3 TYR 6 HB1 TYR 6 -13.354 -2.181 -3.056 44 HD1 TYR 6 HD1 TYR 6 -11.260 -3.217 -5.941 45 HD2 TYR 6 HD2 TYR 6 -12.868 0.021 -3.700 46 HE1 TYR 6 HE1 TYR 6 -10.548 -1.652 -7.702 47 HE2 TYR 6 HE2 TYR 6 -12.165 1.594 -5.439 48 HH TYR 6 HH TYR 6 -11.248 0.666 -8.508 49 H ASP 7 HN ASP 7 -11.162 -2.419 -0.261 50 HA ASP 7 HA ASP 7 -12.645 -4.674 0.801 51 HB2 ASP 7 HB2 ASP 7 -10.466 -4.186 1.827 52 HB3 ASP 7 HB1 ASP 7 -11.008 -2.554 2.218 53 H ILE 8 HN ILE 8 -14.723 -4.381 0.859 54 HA ILE 8 HA ILE 8 -15.852 -1.739 0.922 55 HB ILE 8 HB ILE 8 -18.013 -2.739 0.558 56 HG12 ILE 8 HG12 ILE 8 -17.672 -4.760 2.040 57 HG13 ILE 8 HG11 ILE 8 -18.470 -5.099 0.515 58 HG21 ILE 8 HG21 ILE 8 -16.597 -2.415 -1.366 59 HG22 ILE 8 HG22 ILE 8 -17.632 -3.827 -1.578 60 HG23 ILE 8 HG23 ILE 8 -15.929 -4.035 -1.172 61 HD11 ILE 8 HD11 ILE 8 -15.623 -5.715 1.279 62 HD12 ILE 8 HD12 ILE 8 -16.251 -5.883 -0.358 63 HD13 ILE 8 HD13 ILE 8 -16.928 -6.852 0.950 64 H VAL 9 HN VAL 9 -17.456 -1.035 2.291 65 HA VAL 9 HA VAL 9 -17.244 -2.060 5.042 66 HB VAL 9 HB VAL 9 -18.369 0.579 4.032 67 HG11 VAL 9 HG11 VAL 9 -19.354 -0.170 6.146 68 HG12 VAL 9 HG12 VAL 9 -18.371 1.280 6.354 69 HG13 VAL 9 HG13 VAL 9 -17.740 -0.290 6.850 70 HG21 VAL 9 HG21 VAL 9 -15.694 -0.001 5.307 71 HG22 VAL 9 HG22 VAL 9 -16.345 1.609 4.998 72 HG23 VAL 9 HG23 VAL 9 -15.983 0.533 3.650 73 H GLY 10 HN GLY 10 -19.106 -2.921 5.972 74 HA2 GLY 10 HA2 GLY 10 -21.305 -3.159 4.025 75 HA3 GLY 10 HA1 GLY 10 -20.894 -4.374 5.223 76 H SER 11 HN SER 11 -22.840 -1.906 4.399 77 HA SER 11 HA SER 11 -24.326 -2.026 6.843 78 HB2 SER 11 HB2 SER 11 -23.021 0.498 5.831 79 HB3 SER 11 HB1 SER 11 -24.368 0.513 6.979 80 HG SER 11 HG SER 11 -22.226 -1.150 7.618 81 H ASP 12 HN ASP 12 -26.422 -2.065 6.230 82 HA ASP 12 HA ASP 12 -27.052 -1.881 3.441 83 HB2 ASP 12 HB2 ASP 12 -29.277 -2.544 4.050 84 HB3 ASP 12 HB1 ASP 12 -28.136 -3.526 4.955 85 H ASN 13 HN ASN 13 -27.691 0.329 6.080 86 HA ASN 13 HA ASN 13 -29.252 1.842 4.137 87 HB2 ASN 13 HB2 ASN 13 -29.782 3.342 5.974 88 HB3 ASN 13 HB1 ASN 13 -30.124 1.667 6.396 89 HD21 ASN 13 HD21 ASN 13 -29.638 3.995 8.117 90 HD22 ASN 13 HD22 ASN 13 -28.304 3.574 9.131 91 H ARG 14 HN ARG 14 -26.080 1.718 5.323 92 HA ARG 14 HA ARG 14 -25.445 4.208 3.914 93 HB2 ARG 14 HB2 ARG 14 -25.600 4.547 6.427 94 HB3 ARG 14 HB1 ARG 14 -24.205 3.479 6.550 95 HG2 ARG 14 HG2 ARG 14 -22.957 4.999 5.087 96 HG3 ARG 14 HG1 ARG 14 -24.349 6.081 5.079 97 HD2 ARG 14 HD2 ARG 14 -24.174 6.024 7.605 98 HD3 ARG 14 HD1 ARG 14 -22.578 5.310 7.334 99 HE ARG 14 HE ARG 14 -22.897 7.610 5.756 100 HH11 ARG 14 HH11 ARG 14 -22.135 6.620 9.043 101 HH12 ARG 14 HH12 ARG 14 -21.537 8.175 9.502 102 HH21 ARG 14 HH21 ARG 14 -22.170 9.641 6.370 103 HH22 ARG 14 HH22 ARG 14 -21.561 9.922 7.974 104 H TRP 15 HN TRP 15 -24.358 3.213 2.269 105 HA TRP 15 HA TRP 15 -22.519 1.099 3.074 106 HB2 TRP 15 HB2 TRP 15 -24.359 0.495 1.564 107 HB3 TRP 15 HB1 TRP 15 -23.714 1.600 0.361 108 HD1 TRP 15 HD1 TRP 15 -21.261 1.009 -0.634 109 HE1 TRP 15 HE1 TRP 15 -20.049 -1.247 -0.980 110 HE3 TRP 15 HE3 TRP 15 -24.057 -1.877 2.493 111 HZ2 TRP 15 HZ2 TRP 15 -20.258 -3.885 -0.028 112 HZ3 TRP 15 HZ3 TRP 15 -23.489 -4.253 2.734 113 HH2 TRP 15 HH2 TRP 15 -21.628 -5.240 1.500 114 H GLY 16 HN GLY 16 -20.433 1.179 2.814 115 HA2 GLY 16 HA2 GLY 16 -19.355 3.545 1.423 116 HA3 GLY 16 HA1 GLY 16 -18.682 2.914 2.915 117 H ILE 17 HN ILE 17 -17.844 3.213 -0.081 118 HA ILE 17 HA ILE 17 -16.795 0.484 -0.457 119 HB ILE 17 HB ILE 17 -17.007 2.767 -2.458 120 HG12 ILE 17 HG12 ILE 17 -18.686 0.239 -2.241 121 HG13 ILE 17 HG11 ILE 17 -19.181 1.784 -1.569 122 HG21 ILE 17 HG21 ILE 17 -16.338 -0.160 -2.848 123 HG22 ILE 17 HG22 ILE 17 -15.202 1.186 -2.945 124 HG23 ILE 17 HG23 ILE 17 -16.504 1.047 -4.127 125 HD11 ILE 17 HD11 ILE 17 -19.147 2.733 -3.829 126 HD12 ILE 17 HD12 ILE 17 -20.284 1.403 -3.635 127 HD13 ILE 17 HD13 ILE 17 -18.753 1.135 -4.476 128 H ARG 18 HN ARG 18 -14.747 0.289 0.275 129 HA ARG 18 HA ARG 18 -13.041 2.684 0.179 130 HB2 ARG 18 HB2 ARG 18 -13.615 1.859 2.454 131 HB3 ARG 18 HB1 ARG 18 -12.839 0.333 2.057 132 HG2 ARG 18 HG2 ARG 18 -10.719 1.528 1.717 133 HG3 ARG 18 HG1 ARG 18 -11.507 3.023 2.211 134 HD2 ARG 18 HD2 ARG 18 -10.341 2.162 4.112 135 HD3 ARG 18 HD1 ARG 18 -12.069 1.911 4.383 136 HE ARG 18 HE ARG 18 -11.752 -0.373 4.230 137 HH11 ARG 18 HH11 ARG 18 -8.779 1.297 3.375 138 HH12 ARG 18 HH12 ARG 18 -7.800 -0.119 3.479 139 HH21 ARG 18 HH21 ARG 18 -10.440 -2.251 4.375 140 HH22 ARG 18 HH22 ARG 18 -8.743 -2.138 4.036 141 H HIS 19 HN HIS 19 -11.262 2.582 -1.038 142 HA HIS 19 HA HIS 19 -10.439 0.069 -2.233 143 HB2 HIS 19 HB2 HIS 19 -10.299 2.229 -3.483 144 HB3 HIS 19 HB1 HIS 19 -9.084 2.771 -2.330 145 HD1 HIS 19 HD1 HIS 19 -6.702 2.227 -2.891 146 HD2 HIS 19 HD2 HIS 19 -9.415 -0.105 -5.030 147 HE1 HIS 19 HE1 HIS 19 -5.332 0.924 -4.545 148 H ASP 20 HN ASP 20 -9.175 -1.344 -1.254 149 HA ASP 20 HA ASP 20 -7.796 -0.449 1.120 150 HB2 ASP 20 HB2 ASP 20 -9.094 -2.690 0.869 151 HB3 ASP 20 HB1 ASP 20 -7.652 -3.244 0.027 152 H ASP 21 HN ASP 21 -6.059 0.615 0.691 153 HA ASP 21 HA ASP 21 -4.427 0.033 -1.623 154 HB2 ASP 21 HB2 ASP 21 -4.647 2.226 0.339 155 HB3 ASP 21 HB1 ASP 21 -3.083 2.035 -0.467 156 H ASP 22 HN ASP 22 -4.625 -1.111 1.400 157 HA ASP 22 HA ASP 22 -1.830 -2.018 1.359 158 HB2 ASP 22 HB2 ASP 22 -3.529 -1.561 3.836 159 HB3 ASP 22 HB1 ASP 22 -1.860 -2.115 3.807 160 HA PRO 23 HA PRO 23 -4.785 -5.429 0.387 161 HB2 PRO 23 HB2 PRO 23 -2.118 -6.678 -0.109 162 HB3 PRO 23 HB1 PRO 23 -3.598 -6.765 -1.071 163 HG2 PRO 23 HG2 PRO 23 -1.605 -5.190 -1.839 164 HG3 PRO 23 HG1 PRO 23 -3.291 -4.650 -1.983 165 HD2 PRO 23 HD2 PRO 23 -1.212 -3.852 -0.001 166 HD3 PRO 23 HD1 PRO 23 -2.509 -2.883 -0.728 167 H THR 24 HN THR 24 -5.602 -6.482 1.999 168 HA THR 24 HA THR 24 -4.118 -7.121 4.342 169 HB THR 24 HB THR 24 -6.355 -8.120 5.047 170 HG1 THR 24 HG1 THR 24 -8.095 -7.413 3.605 171 HG21 THR 24 HG21 THR 24 -5.619 -5.794 5.539 172 HG22 THR 24 HG22 THR 24 -7.364 -5.948 5.355 173 HG23 THR 24 HG23 THR 24 -6.397 -5.267 4.044 174 H GLY 25 HN GLY 25 -4.877 -8.761 1.450 175 HA2 GLY 25 HA2 GLY 25 -3.773 -10.742 0.794 176 HA3 GLY 25 HA1 GLY 25 -3.529 -11.138 2.485 177 H ASP 26 HN ASP 26 -6.348 -10.624 3.158 178 HA ASP 26 HA ASP 26 -7.354 -13.182 2.190 179 HB2 ASP 26 HB2 ASP 26 -8.213 -11.455 4.505 180 HB3 ASP 26 HB1 ASP 26 -9.131 -12.855 3.955 181 H TYR 27 HN TYR 27 -8.399 -13.086 0.407 182 HA TYR 27 HA TYR 27 -10.830 -11.574 0.283 183 HB2 TYR 27 HB2 TYR 27 -10.311 -10.721 -2.040 184 HB3 TYR 27 HB1 TYR 27 -9.424 -9.926 -0.744 185 HD1 TYR 27 HD1 TYR 27 -9.162 -12.092 -3.680 186 HD2 TYR 27 HD2 TYR 27 -7.021 -10.242 -0.499 187 HE1 TYR 27 HE1 TYR 27 -7.038 -12.534 -4.850 188 HE2 TYR 27 HE2 TYR 27 -4.905 -10.683 -1.654 189 HH TYR 27 HH TYR 27 -4.023 -12.241 -3.330 190 H SER 28 HN SER 28 -12.353 -12.618 -0.924 191 HA SER 28 HA SER 28 -11.934 -15.367 -1.252 192 HB2 SER 28 HB2 SER 28 -14.197 -13.712 -2.396 193 HB3 SER 28 HB1 SER 28 -14.208 -15.451 -2.081 194 HG SER 28 HG SER 28 -14.542 -13.328 -0.347 195 H SER 29 HN SER 29 -12.069 -12.698 -3.559 196 HA SER 29 HA SER 29 -10.348 -13.736 -5.453 197 HB2 SER 29 HB2 SER 29 -12.091 -15.491 -5.823 198 HB3 SER 29 HB1 SER 29 -13.260 -14.229 -6.190 199 HG SER 29 HG SER 29 -11.944 -15.398 -7.948 200 H LYS 30 HN LYS 30 -10.283 -12.348 -7.382 201 HA LYS 30 HA LYS 30 -10.856 -9.639 -6.837 202 HB2 LYS 30 HB2 LYS 30 -9.119 -10.322 -8.428 203 HB3 LYS 30 HB1 LYS 30 -10.352 -10.976 -9.501 204 HG2 LYS 30 HG2 LYS 30 -11.319 -8.712 -9.709 205 HG3 LYS 30 HG1 LYS 30 -9.980 -8.093 -8.741 206 HD2 LYS 30 HD2 LYS 30 -8.402 -8.890 -10.409 207 HD3 LYS 30 HD1 LYS 30 -9.743 -9.530 -11.369 208 HE2 LYS 30 HE2 LYS 30 -10.653 -7.267 -11.592 209 HE3 LYS 30 HE1 LYS 30 -9.299 -6.631 -10.660 210 HZ1 LYS 30 HZ1 LYS 30 -8.973 -6.354 -13.040 211 HZ2 LYS 30 HZ2 LYS 30 -9.099 -8.020 -13.278 212 HZ3 LYS 30 HZ3 LYS 30 -7.799 -7.393 -12.406 213 H GLU 31 HN GLU 31 -12.471 -11.958 -9.027 214 HA GLU 31 HA GLU 31 -14.421 -10.095 -9.860 215 HB2 GLU 31 HB2 GLU 31 -15.566 -11.897 -10.863 216 HB3 GLU 31 HB1 GLU 31 -13.844 -12.117 -11.160 217 HG2 GLU 31 HG2 GLU 31 -13.807 -13.760 -9.294 218 HG3 GLU 31 HG1 GLU 31 -15.554 -13.551 -9.150 219 H ALA 32 HN ALA 32 -14.255 -12.420 -7.262 220 HA ALA 32 HA ALA 32 -16.972 -12.320 -6.529 221 HB1 ALA 32 HB1 ALA 32 -16.250 -13.139 -4.353 222 HB2 ALA 32 HB2 ALA 32 -14.573 -12.785 -4.774 223 HB3 ALA 32 HB3 ALA 32 -15.466 -14.028 -5.664 224 H ALA 33 HN ALA 33 -14.200 -10.327 -5.705 225 HA ALA 33 HA ALA 33 -15.505 -8.822 -3.707 226 HB1 ALA 33 HB1 ALA 33 -13.628 -7.281 -3.912 227 HB2 ALA 33 HB2 ALA 33 -13.126 -8.069 -5.409 228 HB3 ALA 33 HB3 ALA 33 -13.064 -8.951 -3.884 229 H PHE 34 HN PHE 34 -14.786 -8.111 -7.153 230 HA PHE 34 HA PHE 34 -16.245 -5.688 -7.139 231 HB2 PHE 34 HB2 PHE 34 -15.417 -7.490 -9.402 232 HB3 PHE 34 HB1 PHE 34 -16.280 -5.974 -9.658 233 HD1 PHE 34 HD1 PHE 34 -13.120 -7.500 -9.237 234 HD2 PHE 34 HD2 PHE 34 -15.242 -3.863 -8.650 235 HE1 PHE 34 HE1 PHE 34 -10.987 -6.288 -9.138 236 HE2 PHE 34 HE2 PHE 34 -13.099 -2.634 -8.559 237 HZ PHE 34 HZ PHE 34 -10.968 -3.862 -8.797 238 H GLU 35 HN GLU 35 -17.185 -8.981 -7.992 239 HA GLU 35 HA GLU 35 -19.698 -8.515 -9.032 240 HB2 GLU 35 HB2 GLU 35 -18.613 -10.694 -9.106 241 HB3 GLU 35 HB1 GLU 35 -18.725 -10.827 -7.358 242 HG2 GLU 35 HG2 GLU 35 -20.459 -12.158 -8.236 243 HG3 GLU 35 HG1 GLU 35 -21.206 -10.684 -7.607 244 H ALA 36 HN ALA 36 -18.790 -9.331 -5.708 245 HA ALA 36 HA ALA 36 -21.403 -8.997 -4.673 246 HB1 ALA 36 HB1 ALA 36 -19.704 -10.339 -3.544 247 HB2 ALA 36 HB2 ALA 36 -20.400 -9.112 -2.484 248 HB3 ALA 36 HB3 ALA 36 -18.798 -8.868 -3.181 249 H ALA 37 HN ALA 37 -18.603 -6.847 -4.813 250 HA ALA 37 HA ALA 37 -19.662 -4.787 -3.252 251 HB1 ALA 37 HB1 ALA 37 -17.720 -4.459 -5.533 252 HB2 ALA 37 HB2 ALA 37 -17.284 -5.016 -3.920 253 HB3 ALA 37 HB3 ALA 37 -17.935 -3.390 -4.141 254 H CYS 38 HN CYS 38 -19.766 -5.235 -6.804 255 HA CYS 38 HA CYS 38 -21.242 -2.874 -7.239 256 HB2 CYS 38 HB2 CYS 38 -21.721 -3.753 -9.492 257 HB3 CYS 38 HB1 CYS 38 -20.018 -3.889 -9.078 258 HG CYS 38 HG CYS 38 -20.077 -6.602 -8.617 259 H ALA 39 HN ALA 39 -22.174 -6.212 -6.603 260 HA ALA 39 HA ALA 39 -24.912 -5.991 -7.122 261 HB1 ALA 39 HB1 ALA 39 -25.176 -7.969 -5.736 262 HB2 ALA 39 HB2 ALA 39 -23.556 -7.738 -5.076 263 HB3 ALA 39 HB3 ALA 39 -23.765 -8.132 -6.783 264 H ALA 40 HN ALA 40 -23.106 -5.662 -4.105 265 HA ALA 40 HA ALA 40 -25.290 -4.874 -2.502 266 HB1 ALA 40 HB1 ALA 40 -23.212 -5.701 -1.554 267 HB2 ALA 40 HB2 ALA 40 -23.598 -4.102 -0.913 268 HB3 ALA 40 HB3 ALA 40 -22.356 -4.280 -2.154 269 H ALA 41 HN ALA 41 -23.009 -3.021 -4.458 270 HA ALA 41 HA ALA 41 -23.826 -0.464 -3.597 271 HB1 ALA 41 HB1 ALA 41 -21.736 -0.869 -4.840 272 HB2 ALA 41 HB2 ALA 41 -22.723 0.386 -5.589 273 HB3 ALA 41 HB3 ALA 41 -22.686 -1.235 -6.282 274 H SER 42 HN SER 42 -24.930 -2.500 -6.289 275 HA SER 42 HA SER 42 -26.818 -0.668 -7.273 276 HB2 SER 42 HB2 SER 42 -26.156 -2.677 -8.541 277 HB3 SER 42 HB1 SER 42 -26.971 -3.682 -7.336 278 HG SER 42 HG SER 42 -28.269 -1.666 -8.834 279 H ASN 43 HN ASN 43 -26.983 -3.201 -4.824 280 HA ASN 43 HA ASN 43 -29.713 -3.006 -4.220 281 HB2 ASN 43 HB2 ASN 43 -28.420 -4.868 -3.384 282 HB3 ASN 43 HB1 ASN 43 -27.339 -3.790 -2.510 283 HD21 ASN 43 HD21 ASN 43 -27.924 -3.040 -0.517 284 HD22 ASN 43 HD22 ASN 43 -29.338 -3.567 0.320 285 H ALA 44 HN ALA 44 -26.907 -1.337 -2.832 286 HA ALA 44 HA ALA 44 -28.302 0.163 -0.939 287 HB1 ALA 44 HB1 ALA 44 -25.885 -0.074 -0.875 288 HB2 ALA 44 HB2 ALA 44 -26.316 1.635 -0.930 289 HB3 ALA 44 HB3 ALA 44 -25.739 0.822 -2.384 290 H ILE 45 HN ILE 45 -27.261 1.028 -4.218 291 HA ILE 45 HA ILE 45 -28.382 3.610 -4.226 292 HB ILE 45 HB ILE 45 -27.645 1.777 -6.510 293 HG12 ILE 45 HG12 ILE 45 -26.290 4.265 -5.445 294 HG13 ILE 45 HG11 ILE 45 -25.822 2.623 -5.018 295 HG21 ILE 45 HG21 ILE 45 -29.369 3.346 -7.265 296 HG22 ILE 45 HG22 ILE 45 -27.808 3.739 -7.982 297 HG23 ILE 45 HG23 ILE 45 -28.426 4.696 -6.635 298 HD11 ILE 45 HD11 ILE 45 -24.355 3.531 -6.708 299 HD12 ILE 45 HD12 ILE 45 -25.732 3.850 -7.760 300 HD13 ILE 45 HD13 ILE 45 -25.291 2.187 -7.367 301 H LYS 46 HN LYS 46 -29.656 0.497 -5.244 302 HA LYS 46 HA LYS 46 -31.979 1.322 -6.467 303 HB2 LYS 46 HB2 LYS 46 -31.157 -0.986 -6.499 304 HB3 LYS 46 HB1 LYS 46 -31.591 -1.162 -4.805 305 HG2 LYS 46 HG2 LYS 46 -33.934 -0.924 -5.333 306 HG3 LYS 46 HG1 LYS 46 -33.552 -0.584 -7.020 307 HD2 LYS 46 HD2 LYS 46 -34.273 -2.882 -6.797 308 HD3 LYS 46 HD1 LYS 46 -32.564 -2.842 -7.218 309 HE2 LYS 46 HE2 LYS 46 -31.975 -3.227 -4.877 310 HE3 LYS 46 HE1 LYS 46 -33.681 -3.228 -4.438 311 HZ1 LYS 46 HZ1 LYS 46 -32.365 -5.166 -6.262 312 HZ2 LYS 46 HZ2 LYS 46 -33.994 -5.186 -5.820 313 HZ3 LYS 46 HZ3 LYS 46 -32.807 -5.465 -4.656 314 H PHE 47 HN PHE 47 -31.294 0.792 -3.034 315 HA PHE 47 HA PHE 47 -34.030 1.356 -2.226 316 HB2 PHE 47 HB2 PHE 47 -31.529 0.582 -0.762 317 HB3 PHE 47 HB1 PHE 47 -32.933 1.176 0.110 318 HD1 PHE 47 HD1 PHE 47 -31.461 -1.595 -1.632 319 HD2 PHE 47 HD2 PHE 47 -35.049 -0.080 0.035 320 HE1 PHE 47 HE1 PHE 47 -32.421 -3.866 -1.671 321 HE2 PHE 47 HE2 PHE 47 -36.030 -2.341 0.013 322 HZ PHE 47 HZ PHE 47 -34.713 -4.242 -0.840 323 H GLY 48 HN GLY 48 -31.359 3.246 -2.947 324 HA2 GLY 48 HA2 GLY 48 -31.187 5.559 -2.720 325 HA3 GLY 48 HA1 GLY 48 -32.528 5.528 -1.579 326 H HIS 49 HN HIS 49 -30.167 3.215 -0.964 327 HA HIS 49 HA HIS 49 -29.369 4.194 1.584 328 HB2 HIS 49 HB2 HIS 49 -28.244 2.097 -0.244 329 HB3 HIS 49 HB1 HIS 49 -27.700 2.376 1.411 330 HD2 HIS 49 HD2 HIS 49 -30.805 2.705 2.658 331 HE1 HIS 49 HE1 HIS 49 -31.070 -1.349 1.446 332 HE2 HIS 49 HE2 HIS 49 -32.171 0.520 2.727 333 H GLU 50 HN GLU 50 -27.798 5.733 2.004 334 HA GLU 50 HA GLU 50 -26.483 7.033 -0.123 335 HB2 GLU 50 HB2 GLU 50 -25.207 8.271 1.548 336 HB3 GLU 50 HB1 GLU 50 -26.900 8.196 1.998 337 HG2 GLU 50 HG2 GLU 50 -26.420 6.517 3.661 338 HG3 GLU 50 HG1 GLU 50 -24.737 6.451 3.141 339 H VAL 51 HN VAL 51 -24.622 6.713 -1.120 340 HA VAL 51 HA VAL 51 -22.931 4.582 -0.058 341 HB VAL 51 HB VAL 51 -24.213 3.687 -1.934 342 HG11 VAL 51 HG11 VAL 51 -24.678 5.734 -3.137 343 HG12 VAL 51 HG12 VAL 51 -23.936 4.549 -4.210 344 HG13 VAL 51 HG13 VAL 51 -22.978 5.889 -3.574 345 HG21 VAL 51 HG21 VAL 51 -22.338 2.906 -3.329 346 HG22 VAL 51 HG22 VAL 51 -21.958 2.849 -1.609 347 HG23 VAL 51 HG23 VAL 51 -21.308 4.145 -2.612 348 H ARG 52 HN ARG 52 -20.879 4.995 0.094 349 HA ARG 52 HA ARG 52 -19.874 7.413 -1.218 350 HB2 ARG 52 HB2 ARG 52 -19.225 6.287 1.491 351 HB3 ARG 52 HB1 ARG 52 -18.231 7.521 0.712 352 HG2 ARG 52 HG2 ARG 52 -21.166 7.808 1.310 353 HG3 ARG 52 HG1 ARG 52 -19.862 8.445 2.319 354 HD2 ARG 52 HD2 ARG 52 -19.327 10.085 0.833 355 HD3 ARG 52 HD1 ARG 52 -19.813 9.138 -0.568 356 HE ARG 52 HE ARG 52 -21.721 10.390 1.276 357 HH11 ARG 52 HH11 ARG 52 -20.643 9.599 -1.971 358 HH12 ARG 52 HH12 ARG 52 -21.990 10.340 -2.757 359 HH21 ARG 52 HH21 ARG 52 -23.552 11.364 0.221 360 HH22 ARG 52 HH22 ARG 52 -23.663 11.329 -1.503 361 H ILE 53 HN ILE 53 -18.065 7.344 -2.315 362 HA ILE 53 HA ILE 53 -16.783 4.732 -2.562 363 HB ILE 53 HB ILE 53 -16.823 6.968 -4.618 364 HG12 ILE 53 HG12 ILE 53 -18.184 5.148 -5.935 365 HG13 ILE 53 HG11 ILE 53 -18.550 4.528 -4.330 366 HG21 ILE 53 HG21 ILE 53 -14.836 5.591 -4.744 367 HG22 ILE 53 HG22 ILE 53 -15.874 5.298 -6.136 368 HG23 ILE 53 HG23 ILE 53 -15.830 4.135 -4.811 369 HD11 ILE 53 HD11 ILE 53 -19.149 7.320 -5.282 370 HD12 ILE 53 HD12 ILE 53 -19.590 6.623 -3.720 371 HD13 ILE 53 HD13 ILE 53 -20.312 5.995 -5.200 372 H THR 54 HN THR 54 -14.941 4.759 -1.506 373 HA THR 54 HA THR 54 -13.512 7.301 -1.470 374 HB THR 54 HB THR 54 -12.625 6.610 0.759 375 HG1 THR 54 HG1 THR 54 -14.060 4.371 0.156 376 HG21 THR 54 HG21 THR 54 -14.692 7.188 1.996 377 HG22 THR 54 HG22 THR 54 -15.622 6.946 0.517 378 HG23 THR 54 HG23 THR 54 -14.425 8.236 0.606 379 H VAL 55 HN VAL 55 -12.179 6.961 -3.044 380 HA VAL 55 HA VAL 55 -10.211 4.782 -2.777 381 HB VAL 55 HB VAL 55 -10.953 6.226 -5.337 382 HG11 VAL 55 HG11 VAL 55 -8.658 5.427 -5.333 383 HG12 VAL 55 HG12 VAL 55 -9.642 4.476 -6.447 384 HG13 VAL 55 HG13 VAL 55 -9.202 3.815 -4.872 385 HG21 VAL 55 HG21 VAL 55 -12.032 4.114 -6.014 386 HG22 VAL 55 HG22 VAL 55 -12.809 4.835 -4.605 387 HG23 VAL 55 HG23 VAL 55 -11.724 3.460 -4.405 388 HA PRO 56 HA PRO 56 -7.716 8.544 -2.104 389 HB2 PRO 56 HB2 PRO 56 -5.856 7.396 -0.540 390 HB3 PRO 56 HB1 PRO 56 -7.444 7.855 0.087 391 HG2 PRO 56 HG2 PRO 56 -6.450 5.161 -0.759 392 HG3 PRO 56 HG1 PRO 56 -7.428 5.603 0.653 393 HD2 PRO 56 HD2 PRO 56 -8.472 4.550 -1.648 394 HD3 PRO 56 HD1 PRO 56 -9.386 5.604 -0.551 395 H GLY 57 HN GLY 57 -5.517 9.080 -2.727 396 HA2 GLY 57 HA2 GLY 57 -4.034 7.051 -4.190 397 HA3 GLY 57 HA1 GLY 57 -4.621 8.414 -5.122 398 H ASN 58 HN ASN 58 -2.931 9.640 -5.564 399 HA ASN 58 HA ASN 58 -0.671 9.898 -3.812 400 HB2 ASN 58 HB2 ASN 58 0.242 11.392 -5.496 401 HB3 ASN 58 HB1 ASN 58 -0.464 9.988 -6.284 402 HD21 ASN 58 HD21 ASN 58 0.093 12.600 -7.380 403 HD22 ASN 58 HD22 ASN 58 -1.416 13.232 -7.950 404 H ASP 59 HN ASP 59 -3.644 11.154 -3.618 405 HA ASP 59 HA ASP 59 -2.899 13.817 -2.712 406 HB2 ASP 59 HB2 ASP 59 -5.263 14.264 -2.625 407 HB3 ASP 59 HB1 ASP 59 -4.904 13.473 -4.156 408 H GLY 60 HN GLY 60 -2.767 10.868 -1.394 409 HA2 GLY 60 HA2 GLY 60 -4.117 11.360 1.113 410 HA3 GLY 60 HA1 GLY 60 -3.078 9.992 0.734 411 H SER 61 HN SER 61 -3.219 13.239 1.971 412 HA SER 61 HA SER 61 -0.380 13.332 2.466 413 HB2 SER 61 HB2 SER 61 -1.100 15.535 3.624 414 HB3 SER 61 HB1 SER 61 -1.231 15.420 1.870 415 HG SER 61 HG SER 61 -3.130 16.271 2.726 416 H GLU 62 HN GLU 62 -3.063 12.041 4.023 417 HA GLU 62 HA GLU 62 -2.038 12.431 6.719 418 HB2 GLU 62 HB2 GLU 62 -4.006 11.098 7.417 419 HB3 GLU 62 HB1 GLU 62 -4.438 12.512 6.464 420 HG2 GLU 62 HG2 GLU 62 -4.822 11.138 4.519 421 HG3 GLU 62 HG1 GLU 62 -4.254 9.710 5.376 422 H THR 63 HN THR 63 -1.784 10.205 4.169 423 HA THR 63 HA THR 63 -1.026 7.981 5.847 424 HB THR 63 HB THR 63 -0.520 6.930 3.541 425 HG1 THR 63 HG1 THR 63 -0.495 8.872 2.333 426 HG21 THR 63 HG21 THR 63 -3.342 7.792 4.213 427 HG22 THR 63 HG22 THR 63 -2.506 6.397 4.891 428 HG23 THR 63 HG23 THR 63 -2.900 6.435 3.174 429 H ASN 64 HN ASN 64 1.042 6.812 5.182 430 HA ASN 64 HA ASN 64 3.232 8.547 5.661 431 HB2 ASN 64 HB2 ASN 64 4.630 6.530 5.492 432 HB3 ASN 64 HB1 ASN 64 3.229 6.249 6.517 433 HD21 ASN 64 HD21 ASN 64 4.917 4.343 5.089 434 HD22 ASN 64 HD22 ASN 64 3.862 3.449 4.052 435 H LEU 65 HN LEU 65 4.818 9.288 4.340 436 HA LEU 65 HA LEU 65 4.237 9.199 1.486 437 HB2 LEU 65 HB2 LEU 65 6.293 10.790 3.016 438 HB3 LEU 65 HB1 LEU 65 5.965 10.953 1.306 439 HG LEU 65 HG LEU 65 4.043 11.610 3.538 440 HD11 LEU 65 HD11 LEU 65 5.887 13.191 3.360 441 HD12 LEU 65 HD12 LEU 65 4.368 13.915 2.829 442 HD13 LEU 65 HD13 LEU 65 5.558 13.388 1.639 443 HD21 LEU 65 HD21 LEU 65 2.849 10.820 1.586 444 HD22 LEU 65 HD22 LEU 65 3.767 11.912 0.548 445 HD23 LEU 65 HD23 LEU 65 2.649 12.564 1.747 446 H GLY 66 HN GLY 66 6.080 7.552 3.705 447 HA2 GLY 66 HA2 GLY 66 8.357 7.028 2.005 448 HA3 GLY 66 HA1 GLY 66 8.037 6.308 3.579 449 H VAL 67 HN VAL 67 6.337 6.373 0.468 450 HA VAL 67 HA VAL 67 5.712 3.555 0.756 451 HB VAL 67 HB VAL 67 4.997 5.486 -1.470 452 HG11 VAL 67 HG11 VAL 67 3.342 3.826 -2.148 453 HG12 VAL 67 HG12 VAL 67 3.876 2.754 -0.859 454 HG13 VAL 67 HG13 VAL 67 4.968 3.141 -2.190 455 HG21 VAL 67 HG21 VAL 67 2.765 5.546 -0.450 456 HG22 VAL 67 HG22 VAL 67 4.001 6.171 0.640 457 HG23 VAL 67 HG23 VAL 67 3.349 4.550 0.883 458 H ILE 68 HN ILE 68 6.854 2.002 -0.187 459 HA ILE 68 HA ILE 68 9.118 2.777 -1.848 460 HB ILE 68 HB ILE 68 8.375 0.066 -0.718 461 HG12 ILE 68 HG12 ILE 68 8.914 1.652 1.070 462 HG13 ILE 68 HG11 ILE 68 10.183 0.447 0.908 463 HG21 ILE 68 HG21 ILE 68 9.741 -0.119 -2.725 464 HG22 ILE 68 HG22 ILE 68 10.652 -0.607 -1.299 465 HG23 ILE 68 HG23 ILE 68 10.937 0.972 -2.027 466 HD11 ILE 68 HD11 ILE 68 11.564 2.060 -0.296 467 HD12 ILE 68 HD12 ILE 68 11.107 2.661 1.299 468 HD13 ILE 68 HD13 ILE 68 10.287 3.267 -0.141 469 H THR 69 HN THR 69 8.614 3.017 -3.927 470 HA THR 69 HA THR 69 6.854 1.043 -5.140 471 HB THR 69 HB THR 69 6.196 3.292 -5.702 472 HG1 THR 69 HG1 THR 69 6.287 1.630 -7.411 473 HG21 THR 69 HG21 THR 69 9.017 3.727 -6.691 474 HG22 THR 69 HG22 THR 69 8.274 4.491 -5.285 475 HG23 THR 69 HG23 THR 69 7.683 4.856 -6.908 476 H ASN 70 HN ASN 70 8.016 -0.722 -5.419 477 HA ASN 70 HA ASN 70 10.674 -0.528 -6.555 478 HB2 ASN 70 HB2 ASN 70 10.858 -2.950 -5.936 479 HB3 ASN 70 HB1 ASN 70 10.589 -1.869 -4.580 480 HD21 ASN 70 HD21 ASN 70 10.107 -4.728 -4.858 481 HD22 ASN 70 HD22 ASN 70 8.434 -4.974 -4.497 Start of MODEL 17 1 H MET 1 HT1 MET 1 -1.122 -11.160 -9.139 2 HA MET 1 HA MET 1 1.389 -9.662 -9.480 3 HB2 MET 1 HB2 MET 1 0.887 -11.262 -11.356 4 HB3 MET 1 HB1 MET 1 -0.660 -10.461 -11.557 5 HG2 MET 1 HG2 MET 1 0.522 -8.363 -12.071 6 HG3 MET 1 HG1 MET 1 2.052 -9.228 -11.948 7 HE1 MET 1 HE1 MET 1 2.950 -10.963 -13.823 8 HE2 MET 1 HE2 MET 1 1.826 -11.746 -14.932 9 HE3 MET 1 HE3 MET 1 1.638 -11.948 -13.193 10 H GLY 2 HN GLY 2 0.939 -7.780 -8.488 11 HA2 GLY 2 HA2 GLY 2 -0.002 -5.677 -8.323 12 HA3 GLY 2 HA1 GLY 2 -1.105 -6.113 -9.617 13 H LYS 3 HN LYS 3 -0.497 -6.761 -6.171 14 HA LYS 3 HA LYS 3 -3.131 -7.663 -5.661 15 HB2 LYS 3 HB2 LYS 3 -0.974 -6.645 -3.821 16 HB3 LYS 3 HB1 LYS 3 -2.545 -7.163 -3.231 17 HG2 LYS 3 HG2 LYS 3 -0.596 -8.888 -4.748 18 HG3 LYS 3 HG1 LYS 3 -0.866 -8.925 -3.010 19 HD2 LYS 3 HD2 LYS 3 -3.329 -9.367 -3.601 20 HD3 LYS 3 HD1 LYS 3 -2.742 -9.734 -5.221 21 HE2 LYS 3 HE2 LYS 3 -1.906 -11.113 -2.664 22 HE3 LYS 3 HE1 LYS 3 -2.987 -11.766 -3.890 23 HZ1 LYS 3 HZ1 LYS 3 -1.158 -11.704 -5.465 24 HZ2 LYS 3 HZ2 LYS 3 -0.769 -12.647 -4.125 25 HZ3 LYS 3 HZ3 LYS 3 -0.128 -11.100 -4.284 26 H ALA 4 HN ALA 4 -4.926 -6.606 -5.480 27 HA ALA 4 HA ALA 4 -4.955 -3.897 -4.459 28 HB1 ALA 4 HB1 ALA 4 -4.763 -3.621 -6.902 29 HB2 ALA 4 HB2 ALA 4 -6.319 -3.058 -6.287 30 HB3 ALA 4 HB3 ALA 4 -6.212 -4.611 -7.108 31 H TYR 5 HN TYR 5 -6.080 -4.557 -2.712 32 HA TYR 5 HA TYR 5 -8.544 -6.051 -3.152 33 HB2 TYR 5 HB2 TYR 5 -7.277 -7.189 -1.567 34 HB3 TYR 5 HB1 TYR 5 -6.734 -5.708 -0.792 35 HD1 TYR 5 HD1 TYR 5 -9.870 -7.669 -1.401 36 HD2 TYR 5 HD2 TYR 5 -7.707 -5.106 1.228 37 HE1 TYR 5 HE1 TYR 5 -11.615 -7.955 0.308 38 HE2 TYR 5 HE2 TYR 5 -9.447 -5.383 2.938 39 HH TYR 5 HH TYR 5 -11.812 -5.975 3.081 40 H TYR 6 HN TYR 6 -10.445 -5.174 -2.847 41 HA TYR 6 HA TYR 6 -10.574 -2.445 -1.813 42 HB2 TYR 6 HB2 TYR 6 -12.354 -4.034 -3.656 43 HB3 TYR 6 HB1 TYR 6 -12.884 -2.525 -2.919 44 HD1 TYR 6 HD1 TYR 6 -9.834 -3.765 -4.723 45 HD2 TYR 6 HD2 TYR 6 -12.727 -0.674 -4.301 46 HE1 TYR 6 HE1 TYR 6 -8.772 -2.527 -6.563 47 HE2 TYR 6 HE2 TYR 6 -11.665 0.571 -6.144 48 HH TYR 6 HH TYR 6 -9.542 0.734 -7.314 49 H ASP 7 HN ASP 7 -11.227 -2.258 0.193 50 HA ASP 7 HA ASP 7 -12.515 -4.505 1.468 51 HB2 ASP 7 HB2 ASP 7 -10.585 -3.422 2.562 52 HB3 ASP 7 HB1 ASP 7 -11.503 -1.924 2.667 53 H ILE 8 HN ILE 8 -14.624 -4.588 1.320 54 HA ILE 8 HA ILE 8 -16.137 -2.122 1.052 55 HB ILE 8 HB ILE 8 -17.991 -3.522 0.321 56 HG12 ILE 8 HG12 ILE 8 -16.130 -5.887 0.685 57 HG13 ILE 8 HG11 ILE 8 -17.446 -5.483 1.782 58 HG21 ILE 8 HG21 ILE 8 -16.977 -4.448 -1.740 59 HG22 ILE 8 HG22 ILE 8 -15.379 -4.196 -1.045 60 HG23 ILE 8 HG23 ILE 8 -16.425 -2.821 -1.385 61 HD11 ILE 8 HD11 ILE 8 -19.053 -5.819 -0.028 62 HD12 ILE 8 HD12 ILE 8 -18.081 -7.264 0.260 63 HD13 ILE 8 HD13 ILE 8 -17.734 -6.227 -1.128 64 H VAL 9 HN VAL 9 -17.701 -1.496 2.463 65 HA VAL 9 HA VAL 9 -18.053 -3.131 4.895 66 HB VAL 9 HB VAL 9 -18.449 -0.132 4.571 67 HG11 VAL 9 HG11 VAL 9 -18.705 -0.085 7.002 68 HG12 VAL 9 HG12 VAL 9 -18.535 -1.842 7.055 69 HG13 VAL 9 HG13 VAL 9 -19.931 -1.117 6.255 70 HG21 VAL 9 HG21 VAL 9 -16.233 -1.643 5.956 71 HG22 VAL 9 HG22 VAL 9 -16.462 0.105 6.002 72 HG23 VAL 9 HG23 VAL 9 -16.091 -0.692 4.473 73 H GLY 10 HN GLY 10 -20.099 -3.866 5.269 74 HA2 GLY 10 HA2 GLY 10 -22.132 -2.936 3.342 75 HA3 GLY 10 HA1 GLY 10 -22.032 -4.577 3.964 76 H SER 11 HN SER 11 -23.566 -1.686 4.188 77 HA SER 11 HA SER 11 -25.079 -2.620 6.445 78 HB2 SER 11 HB2 SER 11 -23.800 0.130 6.445 79 HB3 SER 11 HB1 SER 11 -24.967 -0.458 7.623 80 HG SER 11 HG SER 11 -22.945 -2.211 7.389 81 H ASP 12 HN ASP 12 -27.194 -2.057 6.246 82 HA ASP 12 HA ASP 12 -28.119 -1.153 3.724 83 HB2 ASP 12 HB2 ASP 12 -30.346 -1.487 4.620 84 HB3 ASP 12 HB1 ASP 12 -29.313 -2.834 5.078 85 H ASN 13 HN ASN 13 -27.128 0.684 6.347 86 HA ASN 13 HA ASN 13 -28.882 2.848 5.387 87 HB2 ASN 13 HB2 ASN 13 -28.784 2.257 7.879 88 HB3 ASN 13 HB1 ASN 13 -27.131 2.842 7.860 89 HD21 ASN 13 HD21 ASN 13 -27.745 5.109 6.051 90 HD22 ASN 13 HD22 ASN 13 -28.608 6.244 7.032 91 H ARG 14 HN ARG 14 -25.594 1.762 5.831 92 HA ARG 14 HA ARG 14 -24.543 4.105 4.402 93 HB2 ARG 14 HB2 ARG 14 -23.056 2.682 6.606 94 HB3 ARG 14 HB1 ARG 14 -22.675 4.218 5.840 95 HG2 ARG 14 HG2 ARG 14 -25.057 3.765 7.611 96 HG3 ARG 14 HG1 ARG 14 -23.526 4.440 8.147 97 HD2 ARG 14 HD2 ARG 14 -25.272 5.597 5.984 98 HD3 ARG 14 HD1 ARG 14 -25.230 6.155 7.660 99 HE ARG 14 HE ARG 14 -23.259 6.641 5.594 100 HH11 ARG 14 HH11 ARG 14 -23.830 6.565 9.079 101 HH12 ARG 14 HH12 ARG 14 -22.633 7.758 9.418 102 HH21 ARG 14 HH21 ARG 14 -21.708 8.214 6.066 103 HH22 ARG 14 HH22 ARG 14 -21.411 8.701 7.703 104 H TRP 15 HN TRP 15 -23.724 3.333 2.547 105 HA TRP 15 HA TRP 15 -22.302 0.778 2.723 106 HB2 TRP 15 HB2 TRP 15 -24.584 0.755 1.533 107 HB3 TRP 15 HB1 TRP 15 -23.822 1.735 0.286 108 HD1 TRP 15 HD1 TRP 15 -23.927 -1.801 1.672 109 HE1 TRP 15 HE1 TRP 15 -22.715 -3.375 0.042 110 HE3 TRP 15 HE3 TRP 15 -21.919 1.679 -1.453 111 HZ2 TRP 15 HZ2 TRP 15 -21.125 -3.170 -2.264 112 HZ3 TRP 15 HZ3 TRP 15 -20.563 0.906 -3.355 113 HH2 TRP 15 HH2 TRP 15 -20.182 -1.476 -3.744 114 H GLY 16 HN GLY 16 -20.236 0.869 2.047 115 HA2 GLY 16 HA2 GLY 16 -19.466 3.090 0.337 116 HA3 GLY 16 HA1 GLY 16 -18.764 3.027 1.946 117 H ILE 17 HN ILE 17 -17.506 2.884 -0.688 118 HA ILE 17 HA ILE 17 -16.259 0.214 -0.609 119 HB ILE 17 HB ILE 17 -16.195 2.356 -2.768 120 HG12 ILE 17 HG12 ILE 17 -18.332 1.080 -2.608 121 HG13 ILE 17 HG11 ILE 17 -17.478 0.725 -4.108 122 HG21 ILE 17 HG21 ILE 17 -15.021 0.596 -4.131 123 HG22 ILE 17 HG22 ILE 17 -14.811 -0.325 -2.642 124 HG23 ILE 17 HG23 ILE 17 -14.079 1.268 -2.796 125 HD11 ILE 17 HD11 ILE 17 -18.379 -1.300 -3.158 126 HD12 ILE 17 HD12 ILE 17 -17.552 -0.989 -1.637 127 HD13 ILE 17 HD13 ILE 17 -16.618 -1.343 -3.091 128 H ARG 18 HN ARG 18 -14.429 0.142 0.547 129 HA ARG 18 HA ARG 18 -12.821 2.586 0.693 130 HB2 ARG 18 HB2 ARG 18 -13.646 1.610 2.845 131 HB3 ARG 18 HB1 ARG 18 -12.716 0.162 2.490 132 HG2 ARG 18 HG2 ARG 18 -10.659 1.516 2.475 133 HG3 ARG 18 HG1 ARG 18 -11.619 2.928 2.916 134 HD2 ARG 18 HD2 ARG 18 -10.614 2.070 4.909 135 HD3 ARG 18 HD1 ARG 18 -12.338 1.704 4.975 136 HE ARG 18 HE ARG 18 -11.858 -0.543 4.849 137 HH11 ARG 18 HH11 ARG 18 -8.919 1.288 4.138 138 HH12 ARG 18 HH12 ARG 18 -7.886 -0.090 4.296 139 HH21 ARG 18 HH21 ARG 18 -10.422 -2.322 5.135 140 HH22 ARG 18 HH22 ARG 18 -8.723 -2.104 4.872 141 H HIS 19 HN HIS 19 -11.160 2.609 -0.659 142 HA HIS 19 HA HIS 19 -10.119 0.176 -1.749 143 HB2 HIS 19 HB2 HIS 19 -10.108 2.339 -3.039 144 HB3 HIS 19 HB1 HIS 19 -8.936 2.985 -1.905 145 HD1 HIS 19 HD1 HIS 19 -8.828 2.056 -5.199 146 HD2 HIS 19 HD2 HIS 19 -6.721 0.627 -1.898 147 HE1 HIS 19 HE1 HIS 19 -6.767 0.994 -6.122 148 H ASP 20 HN ASP 20 -8.981 -1.146 -0.520 149 HA ASP 20 HA ASP 20 -7.550 -0.171 1.787 150 HB2 ASP 20 HB2 ASP 20 -8.924 -2.333 1.693 151 HB3 ASP 20 HB1 ASP 20 -7.603 -3.007 0.749 152 H ASP 21 HN ASP 21 -5.769 0.917 1.198 153 HA ASP 21 HA ASP 21 -4.044 -0.058 -0.923 154 HB2 ASP 21 HB2 ASP 21 -2.737 1.942 -0.622 155 HB3 ASP 21 HB1 ASP 21 -4.434 2.395 -0.586 156 H ASP 22 HN ASP 22 -4.389 -0.703 2.295 157 HA ASP 22 HA ASP 22 -1.715 -1.872 2.329 158 HB2 ASP 22 HB2 ASP 22 -1.609 -1.528 4.793 159 HB3 ASP 22 HB1 ASP 22 -1.650 -0.017 3.895 160 HA PRO 23 HA PRO 23 -4.725 -5.258 1.845 161 HB2 PRO 23 HB2 PRO 23 -2.098 -6.605 2.313 162 HB3 PRO 23 HB1 PRO 23 -3.389 -7.021 1.177 163 HG2 PRO 23 HG2 PRO 23 -1.217 -5.686 0.378 164 HG3 PRO 23 HG1 PRO 23 -2.815 -5.338 -0.309 165 HD2 PRO 23 HD2 PRO 23 -1.153 -3.721 1.522 166 HD3 PRO 23 HD1 PRO 23 -2.472 -3.202 0.458 167 H THR 24 HN THR 24 -5.954 -5.303 3.634 168 HA THR 24 HA THR 24 -4.803 -6.400 6.103 169 HB THR 24 HB THR 24 -7.118 -5.803 7.032 170 HG1 THR 24 HG1 THR 24 -7.213 -4.318 4.575 171 HG21 THR 24 HG21 THR 24 -5.321 -3.590 5.996 172 HG22 THR 24 HG22 THR 24 -5.172 -4.425 7.544 173 HG23 THR 24 HG23 THR 24 -6.562 -3.388 7.231 174 H GLY 25 HN GLY 25 -7.071 -7.040 3.584 175 HA2 GLY 25 HA2 GLY 25 -7.451 -9.731 4.710 176 HA3 GLY 25 HA1 GLY 25 -8.801 -8.823 4.042 177 H ASP 26 HN ASP 26 -6.254 -10.954 3.365 178 HA ASP 26 HA ASP 26 -6.144 -10.288 0.582 179 HB2 ASP 26 HB2 ASP 26 -4.547 -12.117 0.369 180 HB3 ASP 26 HB1 ASP 26 -4.153 -11.124 1.775 181 H TYR 27 HN TYR 27 -7.758 -10.718 -0.640 182 HA TYR 27 HA TYR 27 -9.572 -12.883 -0.017 183 HB2 TYR 27 HB2 TYR 27 -11.165 -11.859 -1.535 184 HB3 TYR 27 HB1 TYR 27 -10.566 -10.681 -0.380 185 HD1 TYR 27 HD1 TYR 27 -7.956 -9.908 -1.846 186 HD2 TYR 27 HD2 TYR 27 -11.925 -10.516 -3.228 187 HE1 TYR 27 HE1 TYR 27 -7.536 -8.364 -3.684 188 HE2 TYR 27 HE2 TYR 27 -11.505 -8.970 -5.079 189 HH TYR 27 HH TYR 27 -8.354 -7.774 -5.804 190 H SER 28 HN SER 28 -10.325 -14.427 -1.468 191 HA SER 28 HA SER 28 -8.261 -15.738 -2.838 192 HB2 SER 28 HB2 SER 28 -11.206 -16.302 -2.971 193 HB3 SER 28 HB1 SER 28 -9.889 -17.431 -3.297 194 HG SER 28 HG SER 28 -10.966 -17.368 -1.071 195 H SER 29 HN SER 29 -11.073 -13.930 -4.112 196 HA SER 29 HA SER 29 -9.775 -14.063 -6.735 197 HB2 SER 29 HB2 SER 29 -12.741 -14.542 -6.328 198 HB3 SER 29 HB1 SER 29 -11.845 -14.652 -7.844 199 HG SER 29 HG SER 29 -11.564 -16.663 -7.352 200 H LYS 30 HN LYS 30 -10.030 -12.256 -7.983 201 HA LYS 30 HA LYS 30 -10.665 -9.815 -6.654 202 HB2 LYS 30 HB2 LYS 30 -8.925 -10.134 -8.460 203 HB3 LYS 30 HB1 LYS 30 -10.250 -10.244 -9.610 204 HG2 LYS 30 HG2 LYS 30 -10.980 -7.977 -8.930 205 HG3 LYS 30 HG1 LYS 30 -9.552 -7.882 -7.884 206 HD2 LYS 30 HD2 LYS 30 -8.103 -8.190 -9.829 207 HD3 LYS 30 HD1 LYS 30 -9.536 -8.282 -10.868 208 HE2 LYS 30 HE2 LYS 30 -8.664 -6.066 -11.046 209 HE3 LYS 30 HE1 LYS 30 -10.144 -5.986 -10.099 210 HZ1 LYS 30 HZ1 LYS 30 -8.738 -5.986 -8.077 211 HZ2 LYS 30 HZ2 LYS 30 -8.496 -4.635 -9.066 212 HZ3 LYS 30 HZ3 LYS 30 -7.360 -5.890 -9.061 213 H GLU 31 HN GLU 31 -12.289 -11.850 -9.042 214 HA GLU 31 HA GLU 31 -14.325 -10.055 -9.752 215 HB2 GLU 31 HB2 GLU 31 -15.427 -11.931 -10.745 216 HB3 GLU 31 HB1 GLU 31 -13.695 -12.110 -11.034 217 HG2 GLU 31 HG2 GLU 31 -13.613 -13.685 -9.091 218 HG3 GLU 31 HG1 GLU 31 -15.371 -13.543 -9.000 219 H ALA 32 HN ALA 32 -13.969 -12.327 -7.120 220 HA ALA 32 HA ALA 32 -16.661 -12.560 -6.395 221 HB1 ALA 32 HB1 ALA 32 -14.188 -12.727 -4.698 222 HB2 ALA 32 HB2 ALA 32 -15.047 -14.062 -5.476 223 HB3 ALA 32 HB3 ALA 32 -15.814 -13.153 -4.169 224 H ALA 33 HN ALA 33 -14.160 -10.313 -5.338 225 HA ALA 33 HA ALA 33 -15.813 -9.011 -3.445 226 HB1 ALA 33 HB1 ALA 33 -13.322 -8.012 -4.807 227 HB2 ALA 33 HB2 ALA 33 -13.383 -8.918 -3.301 228 HB3 ALA 33 HB3 ALA 33 -14.072 -7.300 -3.384 229 H PHE 34 HN PHE 34 -14.738 -8.046 -6.714 230 HA PHE 34 HA PHE 34 -16.289 -5.709 -6.736 231 HB2 PHE 34 HB2 PHE 34 -15.100 -7.305 -8.977 232 HB3 PHE 34 HB1 PHE 34 -15.957 -5.785 -9.224 233 HD1 PHE 34 HD1 PHE 34 -12.829 -7.279 -8.515 234 HD2 PHE 34 HD2 PHE 34 -15.147 -3.778 -7.851 235 HE1 PHE 34 HE1 PHE 34 -10.788 -6.051 -7.986 236 HE2 PHE 34 HE2 PHE 34 -13.079 -2.520 -7.322 237 HZ PHE 34 HZ PHE 34 -10.896 -3.686 -7.390 238 H GLU 35 HN GLU 35 -17.062 -8.960 -7.995 239 HA GLU 35 HA GLU 35 -19.424 -8.243 -9.258 240 HB2 GLU 35 HB2 GLU 35 -18.370 -10.430 -9.574 241 HB3 GLU 35 HB1 GLU 35 -18.800 -10.864 -7.923 242 HG2 GLU 35 HG2 GLU 35 -21.154 -10.712 -8.426 243 HG3 GLU 35 HG1 GLU 35 -20.797 -10.138 -10.050 244 H ALA 36 HN ALA 36 -18.856 -9.432 -5.979 245 HA ALA 36 HA ALA 36 -21.547 -9.356 -5.156 246 HB1 ALA 36 HB1 ALA 36 -20.694 -9.490 -2.898 247 HB2 ALA 36 HB2 ALA 36 -19.060 -9.199 -3.505 248 HB3 ALA 36 HB3 ALA 36 -19.928 -10.666 -3.975 249 H ALA 37 HN ALA 37 -18.884 -7.060 -4.773 250 HA ALA 37 HA ALA 37 -20.168 -5.207 -3.140 251 HB1 ALA 37 HB1 ALA 37 -18.442 -3.645 -3.864 252 HB2 ALA 37 HB2 ALA 37 -18.027 -4.732 -5.199 253 HB3 ALA 37 HB3 ALA 37 -17.763 -5.253 -3.537 254 H CYS 38 HN CYS 38 -19.844 -5.169 -6.699 255 HA CYS 38 HA CYS 38 -21.298 -2.798 -7.036 256 HB2 CYS 38 HB2 CYS 38 -20.978 -5.060 -8.995 257 HB3 CYS 38 HB1 CYS 38 -21.434 -3.401 -9.366 258 HG CYS 38 HG CYS 38 -18.419 -4.637 -8.477 259 H ALA 39 HN ALA 39 -22.267 -6.187 -6.836 260 HA ALA 39 HA ALA 39 -24.937 -5.936 -7.618 261 HB1 ALA 39 HB1 ALA 39 -23.833 -8.089 -7.394 262 HB2 ALA 39 HB2 ALA 39 -25.313 -8.038 -6.436 263 HB3 ALA 39 HB3 ALA 39 -23.743 -7.873 -5.650 264 H ALA 40 HN ALA 40 -23.473 -5.874 -4.406 265 HA ALA 40 HA ALA 40 -25.832 -5.180 -2.970 266 HB1 ALA 40 HB1 ALA 40 -24.359 -4.614 -1.132 267 HB2 ALA 40 HB2 ALA 40 -22.967 -4.607 -2.222 268 HB3 ALA 40 HB3 ALA 40 -23.825 -6.113 -1.890 269 H ALA 41 HN ALA 41 -23.382 -3.188 -4.532 270 HA ALA 41 HA ALA 41 -24.267 -0.681 -3.597 271 HB1 ALA 41 HB1 ALA 41 -23.133 0.236 -5.571 272 HB2 ALA 41 HB2 ALA 41 -23.006 -1.393 -6.244 273 HB3 ALA 41 HB3 ALA 41 -22.151 -0.974 -4.756 274 H SER 42 HN SER 42 -25.324 -2.688 -6.289 275 HA SER 42 HA SER 42 -27.039 -0.835 -7.465 276 HB2 SER 42 HB2 SER 42 -27.349 -3.834 -7.314 277 HB3 SER 42 HB1 SER 42 -28.173 -2.762 -8.448 278 HG SER 42 HG SER 42 -25.359 -3.209 -8.254 279 H ASN 43 HN ASN 43 -27.584 -3.270 -4.938 280 HA ASN 43 HA ASN 43 -30.310 -2.742 -4.432 281 HB2 ASN 43 HB2 ASN 43 -29.275 -4.767 -3.597 282 HB3 ASN 43 HB1 ASN 43 -28.143 -3.835 -2.618 283 HD21 ASN 43 HD21 ASN 43 -28.794 -3.100 -0.598 284 HD22 ASN 43 HD22 ASN 43 -30.333 -3.480 0.085 285 H ALA 44 HN ALA 44 -27.349 -1.457 -3.037 286 HA ALA 44 HA ALA 44 -28.522 0.114 -1.055 287 HB1 ALA 44 HB1 ALA 44 -25.894 0.486 -2.483 288 HB2 ALA 44 HB2 ALA 44 -26.167 -0.380 -0.975 289 HB3 ALA 44 HB3 ALA 44 -26.377 1.366 -1.045 290 H ILE 45 HN ILE 45 -27.440 0.967 -4.315 291 HA ILE 45 HA ILE 45 -28.180 3.677 -4.276 292 HB ILE 45 HB ILE 45 -27.758 1.738 -6.539 293 HG12 ILE 45 HG12 ILE 45 -25.779 2.393 -5.172 294 HG13 ILE 45 HG11 ILE 45 -25.633 2.847 -6.867 295 HG21 ILE 45 HG21 ILE 45 -29.294 3.401 -7.353 296 HG22 ILE 45 HG22 ILE 45 -27.720 3.681 -8.080 297 HG23 ILE 45 HG23 ILE 45 -28.269 4.702 -6.755 298 HD11 ILE 45 HD11 ILE 45 -26.290 5.149 -6.268 299 HD12 ILE 45 HD12 ILE 45 -24.804 4.619 -5.480 300 HD13 ILE 45 HD13 ILE 45 -26.314 4.677 -4.559 301 H LYS 46 HN LYS 46 -29.913 0.779 -5.361 302 HA LYS 46 HA LYS 46 -32.123 2.074 -6.499 303 HB2 LYS 46 HB2 LYS 46 -31.561 -0.356 -6.735 304 HB3 LYS 46 HB1 LYS 46 -32.148 -0.600 -5.100 305 HG2 LYS 46 HG2 LYS 46 -34.377 0.066 -5.751 306 HG3 LYS 46 HG1 LYS 46 -33.824 0.454 -7.379 307 HD2 LYS 46 HD2 LYS 46 -34.848 -1.682 -7.497 308 HD3 LYS 46 HD1 LYS 46 -33.112 -1.959 -7.588 309 HE2 LYS 46 HE2 LYS 46 -34.046 -3.582 -6.099 310 HE3 LYS 46 HE1 LYS 46 -33.147 -2.427 -5.128 311 HZ1 LYS 46 HZ1 LYS 46 -35.294 -2.924 -4.124 312 HZ2 LYS 46 HZ2 LYS 46 -36.082 -2.447 -5.528 313 HZ3 LYS 46 HZ3 LYS 46 -35.250 -1.306 -4.620 314 H PHE 47 HN PHE 47 -31.343 1.258 -3.212 315 HA PHE 47 HA PHE 47 -33.951 1.931 -2.153 316 HB2 PHE 47 HB2 PHE 47 -31.442 0.760 -1.171 317 HB3 PHE 47 HB1 PHE 47 -32.333 1.708 0.011 318 HD1 PHE 47 HD1 PHE 47 -33.357 -0.665 -2.694 319 HD2 PHE 47 HD2 PHE 47 -33.450 0.366 1.442 320 HE1 PHE 47 HE1 PHE 47 -34.831 -2.590 -2.255 321 HE2 PHE 47 HE2 PHE 47 -34.940 -1.563 1.872 322 HZ PHE 47 HZ PHE 47 -35.626 -3.039 0.020 323 H GLY 48 HN GLY 48 -31.248 3.711 -3.065 324 HA2 GLY 48 HA2 GLY 48 -30.792 5.972 -2.761 325 HA3 GLY 48 HA1 GLY 48 -32.191 6.072 -1.705 326 H HIS 49 HN HIS 49 -30.002 3.585 -1.041 327 HA HIS 49 HA HIS 49 -29.335 4.561 1.535 328 HB2 HIS 49 HB2 HIS 49 -28.209 2.326 -0.151 329 HB3 HIS 49 HB1 HIS 49 -27.679 2.672 1.500 330 HD2 HIS 49 HD2 HIS 49 -29.206 -0.161 0.911 331 HE1 HIS 49 HE1 HIS 49 -32.474 1.695 2.885 332 HE2 HIS 49 HE2 HIS 49 -31.354 -0.488 2.321 333 H GLU 50 HN GLU 50 -27.522 5.558 2.254 334 HA GLU 50 HA GLU 50 -26.155 7.228 0.466 335 HB2 GLU 50 HB2 GLU 50 -26.404 7.712 2.832 336 HB3 GLU 50 HB1 GLU 50 -25.349 6.366 3.236 337 HG2 GLU 50 HG2 GLU 50 -23.567 7.528 1.844 338 HG3 GLU 50 HG1 GLU 50 -24.632 8.929 1.832 339 H VAL 51 HN VAL 51 -24.596 6.783 -0.895 340 HA VAL 51 HA VAL 51 -22.912 4.448 -0.353 341 HB VAL 51 HB VAL 51 -23.784 5.615 -3.011 342 HG11 VAL 51 HG11 VAL 51 -21.788 3.422 -2.468 343 HG12 VAL 51 HG12 VAL 51 -21.453 4.982 -3.202 344 HG13 VAL 51 HG13 VAL 51 -22.456 3.807 -4.045 345 HG21 VAL 51 HG21 VAL 51 -24.244 2.925 -1.717 346 HG22 VAL 51 HG22 VAL 51 -24.696 3.343 -3.368 347 HG23 VAL 51 HG23 VAL 51 -25.454 4.180 -2.017 348 H ARG 52 HN ARG 52 -20.840 4.785 -0.153 349 HA ARG 52 HA ARG 52 -19.753 7.398 -0.962 350 HB2 ARG 52 HB2 ARG 52 -20.164 7.196 1.491 351 HB3 ARG 52 HB1 ARG 52 -19.035 5.849 1.529 352 HG2 ARG 52 HG2 ARG 52 -17.817 7.697 2.269 353 HG3 ARG 52 HG1 ARG 52 -17.313 7.467 0.590 354 HD2 ARG 52 HD2 ARG 52 -19.523 9.361 1.340 355 HD3 ARG 52 HD1 ARG 52 -17.838 9.851 1.382 356 HE ARG 52 HE ARG 52 -17.740 9.421 -1.010 357 HH11 ARG 52 HH11 ARG 52 -21.007 9.446 0.303 358 HH12 ARG 52 HH12 ARG 52 -21.703 10.159 -1.109 359 HH21 ARG 52 HH21 ARG 52 -18.688 10.337 -2.887 360 HH22 ARG 52 HH22 ARG 52 -20.392 10.662 -2.928 361 H ILE 53 HN ILE 53 -18.028 7.235 -2.247 362 HA ILE 53 HA ILE 53 -16.649 4.656 -2.379 363 HB ILE 53 HB ILE 53 -16.692 6.890 -4.428 364 HG12 ILE 53 HG12 ILE 53 -18.892 5.775 -4.225 365 HG13 ILE 53 HG11 ILE 53 -18.137 5.422 -5.778 366 HG21 ILE 53 HG21 ILE 53 -14.626 5.561 -4.450 367 HG22 ILE 53 HG22 ILE 53 -15.580 5.299 -5.908 368 HG23 ILE 53 HG23 ILE 53 -15.584 4.088 -4.628 369 HD11 ILE 53 HD11 ILE 53 -18.195 3.595 -3.384 370 HD12 ILE 53 HD12 ILE 53 -17.455 3.237 -4.941 371 HD13 ILE 53 HD13 ILE 53 -19.203 3.452 -4.830 372 H THR 54 HN THR 54 -14.783 4.653 -1.337 373 HA THR 54 HA THR 54 -13.442 7.227 -0.922 374 HB THR 54 HB THR 54 -13.220 4.678 0.668 375 HG1 THR 54 HG1 THR 54 -15.089 5.463 1.337 376 HG21 THR 54 HG21 THR 54 -12.105 7.446 1.221 377 HG22 THR 54 HG22 THR 54 -11.151 6.039 0.743 378 HG23 THR 54 HG23 THR 54 -11.983 6.054 2.300 379 H VAL 55 HN VAL 55 -12.181 7.313 -2.695 380 HA VAL 55 HA VAL 55 -9.844 5.574 -2.592 381 HB VAL 55 HB VAL 55 -11.094 4.531 -4.346 382 HG11 VAL 55 HG11 VAL 55 -11.913 5.684 -6.328 383 HG12 VAL 55 HG12 VAL 55 -11.360 7.230 -5.680 384 HG13 VAL 55 HG13 VAL 55 -12.652 6.342 -4.870 385 HG21 VAL 55 HG21 VAL 55 -8.916 6.277 -5.487 386 HG22 VAL 55 HG22 VAL 55 -9.590 4.864 -6.293 387 HG23 VAL 55 HG23 VAL 55 -8.735 4.678 -4.764 388 HA PRO 56 HA PRO 56 -8.343 9.822 -3.050 389 HB2 PRO 56 HB2 PRO 56 -6.324 9.363 -1.117 390 HB3 PRO 56 HB1 PRO 56 -7.860 10.199 -0.856 391 HG2 PRO 56 HG2 PRO 56 -7.103 7.720 0.256 392 HG3 PRO 56 HG1 PRO 56 -8.727 8.412 0.267 393 HD2 PRO 56 HD2 PRO 56 -7.550 6.346 -1.517 394 HD3 PRO 56 HD1 PRO 56 -9.224 6.536 -0.950 395 H GLY 57 HN GLY 57 -6.782 10.417 -4.484 396 HA2 GLY 57 HA2 GLY 57 -4.252 9.977 -4.794 397 HA3 GLY 57 HA1 GLY 57 -4.853 8.387 -5.261 398 H ASN 58 HN ASN 58 -3.757 11.107 -6.524 399 HA ASN 58 HA ASN 58 -5.739 11.300 -8.627 400 HB2 ASN 58 HB2 ASN 58 -4.517 13.212 -9.425 401 HB3 ASN 58 HB1 ASN 58 -4.681 13.362 -7.679 402 HD21 ASN 58 HD21 ASN 58 -2.501 12.878 -10.331 403 HD22 ASN 58 HD22 ASN 58 -1.041 13.034 -9.413 404 H ASP 59 HN ASP 59 -5.417 10.722 -10.684 405 HA ASP 59 HA ASP 59 -4.568 9.647 -12.534 406 HB2 ASP 59 HB2 ASP 59 -1.986 10.275 -11.121 407 HB3 ASP 59 HB1 ASP 59 -1.987 9.300 -12.583 408 H GLY 60 HN GLY 60 -5.674 8.159 -10.483 409 HA2 GLY 60 HA2 GLY 60 -3.948 5.891 -9.971 410 HA3 GLY 60 HA1 GLY 60 -5.604 6.109 -9.407 411 H SER 61 HN SER 61 -6.098 6.819 -12.452 412 HA SER 61 HA SER 61 -6.902 5.794 -14.294 413 HB2 SER 61 HB2 SER 61 -5.161 3.464 -13.474 414 HB3 SER 61 HB1 SER 61 -5.843 3.733 -15.082 415 HG SER 61 HG SER 61 -4.489 5.436 -15.379 416 H GLU 62 HN GLU 62 -7.935 5.238 -11.435 417 HA GLU 62 HA GLU 62 -9.412 2.772 -11.841 418 HB2 GLU 62 HB2 GLU 62 -9.392 4.779 -9.575 419 HB3 GLU 62 HB1 GLU 62 -10.396 3.327 -9.595 420 HG2 GLU 62 HG2 GLU 62 -8.389 1.929 -9.681 421 HG3 GLU 62 HG1 GLU 62 -7.381 3.372 -9.675 422 H THR 63 HN THR 63 -9.735 5.932 -12.789 423 HA THR 63 HA THR 63 -12.641 6.034 -12.636 424 HB THR 63 HB THR 63 -12.225 8.286 -13.838 425 HG1 THR 63 HG1 THR 63 -10.171 8.333 -14.492 426 HG21 THR 63 HG21 THR 63 -11.576 9.365 -11.717 427 HG22 THR 63 HG22 THR 63 -11.124 7.792 -11.069 428 HG23 THR 63 HG23 THR 63 -12.805 8.126 -11.470 429 H ASN 64 HN ASN 64 -13.970 5.453 -14.245 430 HA ASN 64 HA ASN 64 -12.777 4.684 -16.816 431 HB2 ASN 64 HB2 ASN 64 -14.802 3.436 -17.254 432 HB3 ASN 64 HB1 ASN 64 -14.200 3.010 -15.654 433 HD21 ASN 64 HD21 ASN 64 -16.881 2.812 -16.856 434 HD22 ASN 64 HD22 ASN 64 -17.930 3.676 -15.789 435 H LEU 65 HN LEU 65 -14.739 7.129 -15.429 436 HA LEU 65 HA LEU 65 -15.764 8.982 -16.267 437 HB2 LEU 65 HB2 LEU 65 -14.073 8.333 -18.682 438 HB3 LEU 65 HB1 LEU 65 -15.003 9.802 -18.507 439 HG LEU 65 HG LEU 65 -12.774 8.989 -16.645 440 HD11 LEU 65 HD11 LEU 65 -12.762 10.914 -18.960 441 HD12 LEU 65 HD12 LEU 65 -11.887 9.383 -18.852 442 HD13 LEU 65 HD13 LEU 65 -11.472 10.716 -17.775 443 HD21 LEU 65 HD21 LEU 65 -14.342 10.436 -15.568 444 HD22 LEU 65 HD22 LEU 65 -14.394 11.504 -16.970 445 HD23 LEU 65 HD23 LEU 65 -12.923 11.396 -16.004 446 H GLY 66 HN GLY 66 -16.797 9.695 -18.701 447 HA2 GLY 66 HA2 GLY 66 -18.982 7.778 -18.965 448 HA3 GLY 66 HA1 GLY 66 -18.972 9.438 -19.534 449 H VAL 67 HN VAL 67 -19.929 7.700 -21.285 450 HA VAL 67 HA VAL 67 -17.770 6.756 -22.987 451 HB VAL 67 HB VAL 67 -19.580 5.859 -24.446 452 HG11 VAL 67 HG11 VAL 67 -20.238 4.055 -22.884 453 HG12 VAL 67 HG12 VAL 67 -19.627 5.033 -21.541 454 HG13 VAL 67 HG13 VAL 67 -18.517 4.453 -22.791 455 HG21 VAL 67 HG21 VAL 67 -21.443 6.727 -22.222 456 HG22 VAL 67 HG22 VAL 67 -21.851 5.751 -23.637 457 HG23 VAL 67 HG23 VAL 67 -21.353 7.431 -23.841 458 H ILE 68 HN ILE 68 -17.172 7.611 -24.882 459 HA ILE 68 HA ILE 68 -18.199 10.240 -25.583 460 HB ILE 68 HB ILE 68 -15.979 8.597 -26.827 461 HG12 ILE 68 HG12 ILE 68 -15.432 9.198 -24.533 462 HG13 ILE 68 HG11 ILE 68 -14.457 10.154 -25.645 463 HG21 ILE 68 HG21 ILE 68 -16.915 10.195 -28.407 464 HG22 ILE 68 HG22 ILE 68 -15.278 10.650 -27.925 465 HG23 ILE 68 HG23 ILE 68 -16.667 11.502 -27.244 466 HD11 ILE 68 HD11 ILE 68 -16.888 11.090 -24.137 467 HD12 ILE 68 HD12 ILE 68 -15.996 12.050 -25.318 468 HD13 ILE 68 HD13 ILE 68 -15.213 11.532 -23.822 469 H THR 69 HN THR 69 -19.952 10.300 -26.776 470 HA THR 69 HA THR 69 -20.391 8.151 -28.726 471 HB THR 69 HB THR 69 -22.822 8.908 -28.642 472 HG1 THR 69 HG1 THR 69 -21.693 10.798 -27.084 473 HG21 THR 69 HG21 THR 69 -22.054 6.913 -27.467 474 HG22 THR 69 HG22 THR 69 -23.247 7.774 -26.489 475 HG23 THR 69 HG23 THR 69 -21.528 7.906 -26.102 476 H ASN 70 HN ASN 70 -19.463 11.343 -28.572 477 HA ASN 70 HA ASN 70 -20.629 12.019 -31.152 478 HB2 ASN 70 HB2 ASN 70 -19.702 14.310 -30.702 479 HB3 ASN 70 HB1 ASN 70 -20.913 13.772 -29.551 480 HD21 ASN 70 HD21 ASN 70 -18.798 15.791 -29.343 481 HD22 ASN 70 HD22 ASN 70 -17.868 15.357 -27.959 Start of MODEL 18 1 H MET 1 HT1 MET 1 -2.080 -7.829 -12.739 2 HA MET 1 HA MET 1 -0.197 -9.623 -11.330 3 HB2 MET 1 HB2 MET 1 0.615 -8.644 -13.488 4 HB3 MET 1 HB1 MET 1 0.344 -7.044 -12.818 5 HG2 MET 1 HG2 MET 1 2.676 -7.595 -12.637 6 HG3 MET 1 HG1 MET 1 1.971 -7.551 -11.027 7 HE1 MET 1 HE1 MET 1 3.006 -11.447 -13.298 8 HE2 MET 1 HE2 MET 1 3.305 -9.826 -13.934 9 HE3 MET 1 HE3 MET 1 1.650 -10.410 -13.747 10 H GLY 2 HN GLY 2 -1.264 -6.203 -11.537 11 HA2 GLY 2 HA2 GLY 2 -0.420 -5.712 -8.856 12 HA3 GLY 2 HA1 GLY 2 -1.284 -4.600 -9.912 13 H LYS 3 HN LYS 3 -1.532 -5.962 -7.084 14 HA LYS 3 HA LYS 3 -4.083 -7.175 -7.118 15 HB2 LYS 3 HB2 LYS 3 -2.473 -5.950 -4.911 16 HB3 LYS 3 HB1 LYS 3 -3.967 -6.844 -4.642 17 HG2 LYS 3 HG2 LYS 3 -2.905 -8.835 -5.651 18 HG3 LYS 3 HG1 LYS 3 -1.410 -7.908 -5.824 19 HD2 LYS 3 HD2 LYS 3 -2.798 -8.424 -3.192 20 HD3 LYS 3 HD1 LYS 3 -1.465 -9.390 -3.817 21 HE2 LYS 3 HE2 LYS 3 -1.330 -6.413 -3.264 22 HE3 LYS 3 HE1 LYS 3 -0.749 -7.664 -2.171 23 HZ1 LYS 3 HZ1 LYS 3 0.264 -7.144 -4.920 24 HZ2 LYS 3 HZ2 LYS 3 0.803 -8.370 -3.895 25 HZ3 LYS 3 HZ3 LYS 3 1.054 -6.759 -3.478 26 H ALA 4 HN ALA 4 -6.073 -6.363 -6.706 27 HA ALA 4 HA ALA 4 -6.349 -3.523 -6.082 28 HB1 ALA 4 HB1 ALA 4 -7.801 -4.884 -8.362 29 HB2 ALA 4 HB2 ALA 4 -6.499 -3.710 -8.535 30 HB3 ALA 4 HB3 ALA 4 -8.038 -3.224 -7.824 31 H TYR 5 HN TYR 5 -6.911 -4.315 -4.030 32 HA TYR 5 HA TYR 5 -9.505 -5.675 -3.912 33 HB2 TYR 5 HB2 TYR 5 -7.606 -6.919 -2.884 34 HB3 TYR 5 HB1 TYR 5 -7.359 -5.571 -1.778 35 HD1 TYR 5 HD1 TYR 5 -9.830 -8.151 -2.795 36 HD2 TYR 5 HD2 TYR 5 -8.609 -5.422 0.234 37 HE1 TYR 5 HE1 TYR 5 -11.472 -9.134 -1.259 38 HE2 TYR 5 HE2 TYR 5 -10.248 -6.411 1.784 39 HH TYR 5 HH TYR 5 -11.686 -9.319 1.337 40 H TYR 6 HN TYR 6 -11.117 -4.776 -2.795 41 HA TYR 6 HA TYR 6 -10.518 -2.496 -1.128 42 HB2 TYR 6 HB2 TYR 6 -12.467 -1.231 -2.068 43 HB3 TYR 6 HB1 TYR 6 -11.133 -1.425 -3.192 44 HD1 TYR 6 HD1 TYR 6 -14.628 -1.970 -2.610 45 HD2 TYR 6 HD2 TYR 6 -11.327 -3.162 -5.008 46 HE1 TYR 6 HE1 TYR 6 -16.175 -2.860 -4.298 47 HE2 TYR 6 HE2 TYR 6 -12.864 -4.050 -6.698 48 HH TYR 6 HH TYR 6 -15.115 -4.839 -6.871 49 H ASP 7 HN ASP 7 -11.419 -2.628 0.729 50 HA ASP 7 HA ASP 7 -13.269 -4.770 1.254 51 HB2 ASP 7 HB2 ASP 7 -11.386 -4.705 2.711 52 HB3 ASP 7 HB1 ASP 7 -11.546 -2.987 2.982 53 H ILE 8 HN ILE 8 -15.356 -4.370 1.174 54 HA ILE 8 HA ILE 8 -16.267 -1.614 1.323 55 HB ILE 8 HB ILE 8 -18.339 -2.304 0.304 56 HG12 ILE 8 HG12 ILE 8 -18.489 -4.580 1.372 57 HG13 ILE 8 HG11 ILE 8 -18.893 -4.553 -0.335 58 HG21 ILE 8 HG21 ILE 8 -17.496 -3.079 -1.873 59 HG22 ILE 8 HG22 ILE 8 -15.937 -3.415 -1.122 60 HG23 ILE 8 HG23 ILE 8 -16.550 -1.761 -1.184 61 HD11 ILE 8 HD11 ILE 8 -16.392 -5.611 0.948 62 HD12 ILE 8 HD12 ILE 8 -16.559 -5.375 -0.789 63 HD13 ILE 8 HD13 ILE 8 -17.620 -6.502 0.056 64 H VAL 9 HN VAL 9 -18.150 -1.027 2.400 65 HA VAL 9 HA VAL 9 -18.572 -2.537 4.894 66 HB VAL 9 HB VAL 9 -19.099 0.394 4.301 67 HG11 VAL 9 HG11 VAL 9 -19.402 -1.149 6.878 68 HG12 VAL 9 HG12 VAL 9 -20.705 -0.464 5.909 69 HG13 VAL 9 HG13 VAL 9 -19.554 0.600 6.714 70 HG21 VAL 9 HG21 VAL 9 -16.972 -0.901 6.007 71 HG22 VAL 9 HG22 VAL 9 -17.264 0.832 5.878 72 HG23 VAL 9 HG23 VAL 9 -16.718 -0.075 4.471 73 H GLY 10 HN GLY 10 -20.578 -3.353 5.270 74 HA2 GLY 10 HA2 GLY 10 -22.581 -2.729 3.212 75 HA3 GLY 10 HA1 GLY 10 -22.425 -4.290 3.996 76 H SER 11 HN SER 11 -24.065 -1.458 3.909 77 HA SER 11 HA SER 11 -25.643 -2.213 6.202 78 HB2 SER 11 HB2 SER 11 -24.435 0.565 5.964 79 HB3 SER 11 HB1 SER 11 -25.634 0.073 7.155 80 HG SER 11 HG SER 11 -23.564 -1.632 7.193 81 H ASP 12 HN ASP 12 -27.761 -1.732 5.847 82 HA ASP 12 HA ASP 12 -28.487 -1.150 3.170 83 HB2 ASP 12 HB2 ASP 12 -30.159 -1.490 5.637 84 HB3 ASP 12 HB1 ASP 12 -30.809 -1.246 4.019 85 H ASN 13 HN ASN 13 -27.853 0.906 5.772 86 HA ASN 13 HA ASN 13 -29.554 2.988 4.582 87 HB2 ASN 13 HB2 ASN 13 -28.047 2.898 7.179 88 HB3 ASN 13 HB1 ASN 13 -28.965 4.291 6.615 89 HD21 ASN 13 HD21 ASN 13 -31.076 2.610 5.452 90 HD22 ASN 13 HD22 ASN 13 -31.997 2.011 6.782 91 H ARG 14 HN ARG 14 -26.244 2.110 5.219 92 HA ARG 14 HA ARG 14 -25.384 4.286 3.481 93 HB2 ARG 14 HB2 ARG 14 -25.201 4.921 5.952 94 HB3 ARG 14 HB1 ARG 14 -23.958 3.683 6.058 95 HG2 ARG 14 HG2 ARG 14 -22.672 4.852 4.332 96 HG3 ARG 14 HG1 ARG 14 -23.897 6.117 4.295 97 HD2 ARG 14 HD2 ARG 14 -23.491 6.365 6.774 98 HD3 ARG 14 HD1 ARG 14 -22.072 5.349 6.528 99 HE ARG 14 HE ARG 14 -22.413 7.798 4.958 100 HH11 ARG 14 HH11 ARG 14 -20.562 5.920 7.289 101 HH12 ARG 14 HH12 ARG 14 -19.275 7.072 7.370 102 HH21 ARG 14 HH21 ARG 14 -20.730 9.302 5.076 103 HH22 ARG 14 HH22 ARG 14 -19.361 8.999 6.091 104 H TRP 15 HN TRP 15 -24.104 3.436 1.983 105 HA TRP 15 HA TRP 15 -22.712 0.942 2.651 106 HB2 TRP 15 HB2 TRP 15 -24.677 0.827 1.081 107 HB3 TRP 15 HB1 TRP 15 -23.714 1.754 -0.075 108 HD1 TRP 15 HD1 TRP 15 -23.866 -1.664 1.645 109 HE1 TRP 15 HE1 TRP 15 -22.463 -3.361 0.343 110 HE3 TRP 15 HE3 TRP 15 -21.767 1.498 -1.757 111 HZ2 TRP 15 HZ2 TRP 15 -20.693 -3.370 -1.851 112 HZ3 TRP 15 HZ3 TRP 15 -20.235 0.556 -3.434 113 HH2 TRP 15 HH2 TRP 15 -19.711 -1.819 -3.478 114 H GLY 16 HN GLY 16 -20.591 0.901 2.447 115 HA2 GLY 16 HA2 GLY 16 -19.370 3.380 1.402 116 HA3 GLY 16 HA1 GLY 16 -18.824 2.590 2.870 117 H ILE 17 HN ILE 17 -17.676 3.300 0.157 118 HA ILE 17 HA ILE 17 -16.614 0.651 -0.572 119 HB ILE 17 HB ILE 17 -16.509 3.241 -2.158 120 HG12 ILE 17 HG12 ILE 17 -18.326 0.875 -2.623 121 HG13 ILE 17 HG11 ILE 17 -18.815 2.230 -1.613 122 HG21 ILE 17 HG21 ILE 17 -14.781 1.534 -2.717 123 HG22 ILE 17 HG22 ILE 17 -15.933 1.774 -4.035 124 HG23 ILE 17 HG23 ILE 17 -16.068 0.358 -2.993 125 HD11 ILE 17 HD11 ILE 17 -18.189 2.265 -4.548 126 HD12 ILE 17 HD12 ILE 17 -18.474 3.707 -3.565 127 HD13 ILE 17 HD13 ILE 17 -19.747 2.504 -3.750 128 H ARG 18 HN ARG 18 -14.782 0.325 0.522 129 HA ARG 18 HA ARG 18 -12.932 2.574 0.911 130 HB2 ARG 18 HB2 ARG 18 -13.507 2.053 3.060 131 HB3 ARG 18 HB1 ARG 18 -13.885 0.392 2.667 132 HG2 ARG 18 HG2 ARG 18 -11.116 0.533 2.407 133 HG3 ARG 18 HG1 ARG 18 -11.491 1.509 3.843 134 HD2 ARG 18 HD2 ARG 18 -12.948 -0.319 4.641 135 HD3 ARG 18 HD1 ARG 18 -12.439 -1.293 3.277 136 HE ARG 18 HE ARG 18 -11.126 -0.952 5.748 137 HH11 ARG 18 HH11 ARG 18 -10.146 -1.190 2.374 138 HH12 ARG 18 HH12 ARG 18 -8.863 -2.320 2.713 139 HH21 ARG 18 HH21 ARG 18 -9.569 -2.579 6.106 140 HH22 ARG 18 HH22 ARG 18 -8.525 -3.082 4.811 141 H HIS 19 HN HIS 19 -11.287 2.454 -0.430 142 HA HIS 19 HA HIS 19 -10.410 -0.032 -1.592 143 HB2 HIS 19 HB2 HIS 19 -10.300 2.099 -2.850 144 HB3 HIS 19 HB1 HIS 19 -9.163 2.735 -1.674 145 HD1 HIS 19 HD1 HIS 19 -9.349 0.743 -4.781 146 HD2 HIS 19 HD2 HIS 19 -6.537 1.508 -1.804 147 HE1 HIS 19 HE1 HIS 19 -7.149 0.032 -5.737 148 H ASP 20 HN ASP 20 -8.747 -1.295 -0.989 149 HA ASP 20 HA ASP 20 -7.778 -0.828 1.680 150 HB2 ASP 20 HB2 ASP 20 -8.607 -3.062 0.601 151 HB3 ASP 20 HB1 ASP 20 -6.961 -3.162 -0.014 152 H ASP 21 HN ASP 21 -6.307 0.764 1.623 153 HA ASP 21 HA ASP 21 -4.236 1.008 -0.333 154 HB2 ASP 21 HB2 ASP 21 -5.022 2.993 0.699 155 HB3 ASP 21 HB1 ASP 21 -4.707 2.370 2.313 156 H ASP 22 HN ASP 22 -4.414 -0.220 2.938 157 HA ASP 22 HA ASP 22 -1.655 -1.178 2.643 158 HB2 ASP 22 HB2 ASP 22 -2.159 0.379 4.591 159 HB3 ASP 22 HB1 ASP 22 -3.183 -0.895 5.243 160 HA PRO 23 HA PRO 23 -3.978 -4.837 1.418 161 HB2 PRO 23 HB2 PRO 23 -1.557 -6.323 2.018 162 HB3 PRO 23 HB1 PRO 23 -2.320 -6.019 0.460 163 HG2 PRO 23 HG2 PRO 23 -0.062 -4.671 1.705 164 HG3 PRO 23 HG1 PRO 23 -0.630 -4.575 0.034 165 HD2 PRO 23 HD2 PRO 23 -0.793 -2.539 1.817 166 HD3 PRO 23 HD1 PRO 23 -1.917 -2.731 0.459 167 H THR 24 HN THR 24 -5.394 -5.713 2.763 168 HA THR 24 HA THR 24 -4.719 -6.504 5.425 169 HB THR 24 HB THR 24 -7.057 -7.558 5.302 170 HG1 THR 24 HG1 THR 24 -7.345 -5.963 2.961 171 HG21 THR 24 HG21 THR 24 -6.789 -4.599 4.713 172 HG22 THR 24 HG22 THR 24 -6.615 -5.343 6.300 173 HG23 THR 24 HG23 THR 24 -8.174 -5.381 5.479 174 H GLY 25 HN GLY 25 -4.586 -7.844 2.301 175 HA2 GLY 25 HA2 GLY 25 -3.299 -9.685 1.704 176 HA3 GLY 25 HA1 GLY 25 -3.344 -10.232 3.369 177 H ASP 26 HN ASP 26 -6.085 -10.277 3.762 178 HA ASP 26 HA ASP 26 -6.613 -12.788 2.458 179 HB2 ASP 26 HB2 ASP 26 -7.818 -11.306 4.734 180 HB3 ASP 26 HB1 ASP 26 -8.725 -12.619 3.986 181 H TYR 27 HN TYR 27 -7.716 -13.054 0.712 182 HA TYR 27 HA TYR 27 -10.186 -11.636 0.305 183 HB2 TYR 27 HB2 TYR 27 -9.714 -10.722 -1.841 184 HB3 TYR 27 HB1 TYR 27 -8.358 -10.249 -0.835 185 HD1 TYR 27 HD1 TYR 27 -9.425 -12.012 -3.786 186 HD2 TYR 27 HD2 TYR 27 -6.153 -11.471 -1.119 187 HE1 TYR 27 HE1 TYR 27 -7.914 -12.948 -5.473 188 HE2 TYR 27 HE2 TYR 27 -4.626 -12.416 -2.811 189 HH TYR 27 HH TYR 27 -5.644 -12.990 -6.068 190 H SER 28 HN SER 28 -11.667 -13.018 -0.472 191 HA SER 28 HA SER 28 -11.010 -15.728 -0.833 192 HB2 SER 28 HB2 SER 28 -13.552 -14.317 -1.664 193 HB3 SER 28 HB1 SER 28 -13.355 -16.044 -1.327 194 HG SER 28 HG SER 28 -14.137 -14.367 0.399 195 H SER 29 HN SER 29 -11.751 -13.153 -3.164 196 HA SER 29 HA SER 29 -10.188 -14.299 -5.201 197 HB2 SER 29 HB2 SER 29 -12.028 -15.928 -5.344 198 HB3 SER 29 HB1 SER 29 -13.189 -14.615 -5.527 199 HG SER 29 HG SER 29 -11.992 -15.864 -7.426 200 H LYS 30 HN LYS 30 -10.121 -12.956 -7.088 201 HA LYS 30 HA LYS 30 -10.569 -10.186 -6.677 202 HB2 LYS 30 HB2 LYS 30 -8.874 -11.036 -8.220 203 HB3 LYS 30 HB1 LYS 30 -10.121 -11.753 -9.223 204 HG2 LYS 30 HG2 LYS 30 -10.999 -9.483 -9.672 205 HG3 LYS 30 HG1 LYS 30 -9.634 -8.825 -8.761 206 HD2 LYS 30 HD2 LYS 30 -8.082 -9.862 -10.293 207 HD3 LYS 30 HD1 LYS 30 -9.422 -10.608 -11.164 208 HE2 LYS 30 HE2 LYS 30 -8.678 -8.692 -12.399 209 HE3 LYS 30 HE1 LYS 30 -10.264 -8.355 -11.716 210 HZ1 LYS 30 HZ1 LYS 30 -8.883 -6.460 -11.432 211 HZ2 LYS 30 HZ2 LYS 30 -7.642 -7.364 -10.743 212 HZ3 LYS 30 HZ3 LYS 30 -9.095 -7.147 -9.899 213 H GLU 31 HN GLU 31 -12.255 -12.622 -8.654 214 HA GLU 31 HA GLU 31 -14.199 -10.827 -9.616 215 HB2 GLU 31 HB2 GLU 31 -15.359 -12.732 -10.470 216 HB3 GLU 31 HB1 GLU 31 -13.634 -12.982 -10.736 217 HG2 GLU 31 HG2 GLU 31 -13.585 -14.427 -8.744 218 HG3 GLU 31 HG1 GLU 31 -15.327 -14.178 -8.579 219 H ALA 32 HN ALA 32 -14.020 -12.926 -6.810 220 HA ALA 32 HA ALA 32 -16.738 -12.768 -6.096 221 HB1 ALA 32 HB1 ALA 32 -14.344 -13.129 -4.319 222 HB2 ALA 32 HB2 ALA 32 -15.275 -14.416 -5.096 223 HB3 ALA 32 HB3 ALA 32 -16.021 -13.405 -3.853 224 H ALA 33 HN ALA 33 -13.966 -10.739 -5.326 225 HA ALA 33 HA ALA 33 -15.372 -9.102 -3.494 226 HB1 ALA 33 HB1 ALA 33 -12.892 -8.443 -5.083 227 HB2 ALA 33 HB2 ALA 33 -12.922 -9.257 -3.520 228 HB3 ALA 33 HB3 ALA 33 -13.483 -7.591 -3.656 229 H PHE 34 HN PHE 34 -14.469 -8.660 -6.934 230 HA PHE 34 HA PHE 34 -15.866 -6.225 -7.167 231 HB2 PHE 34 HB2 PHE 34 -14.929 -8.207 -9.212 232 HB3 PHE 34 HB1 PHE 34 -15.817 -6.756 -9.665 233 HD1 PHE 34 HD1 PHE 34 -12.664 -8.099 -8.512 234 HD2 PHE 34 HD2 PHE 34 -14.884 -4.550 -9.253 235 HE1 PHE 34 HE1 PHE 34 -10.584 -6.803 -8.436 236 HE2 PHE 34 HE2 PHE 34 -12.785 -3.235 -9.183 237 HZ PHE 34 HZ PHE 34 -10.629 -4.383 -8.760 238 H GLU 35 HN GLU 35 -16.896 -9.535 -7.900 239 HA GLU 35 HA GLU 35 -19.310 -8.914 -9.086 240 HB2 GLU 35 HB2 GLU 35 -18.340 -11.158 -9.139 241 HB3 GLU 35 HB1 GLU 35 -18.664 -11.345 -7.422 242 HG2 GLU 35 HG2 GLU 35 -21.078 -11.067 -7.871 243 HG3 GLU 35 HG1 GLU 35 -20.720 -10.990 -9.594 244 H ALA 36 HN ALA 36 -18.670 -9.823 -5.717 245 HA ALA 36 HA ALA 36 -21.341 -9.466 -4.886 246 HB1 ALA 36 HB1 ALA 36 -19.691 -10.857 -3.706 247 HB2 ALA 36 HB2 ALA 36 -20.570 -9.736 -2.662 248 HB3 ALA 36 HB3 ALA 36 -18.906 -9.377 -3.139 249 H ALA 37 HN ALA 37 -18.519 -7.324 -4.711 250 HA ALA 37 HA ALA 37 -19.749 -5.342 -3.166 251 HB1 ALA 37 HB1 ALA 37 -17.319 -5.519 -3.555 252 HB2 ALA 37 HB2 ALA 37 -17.961 -3.893 -3.793 253 HB3 ALA 37 HB3 ALA 37 -17.564 -4.903 -5.192 254 H CYS 38 HN CYS 38 -19.460 -5.597 -6.729 255 HA CYS 38 HA CYS 38 -20.880 -3.215 -7.161 256 HB2 CYS 38 HB2 CYS 38 -21.128 -3.918 -9.488 257 HB3 CYS 38 HB1 CYS 38 -19.479 -4.102 -8.902 258 HG CYS 38 HG CYS 38 -19.451 -6.794 -8.814 259 H ALA 39 HN ALA 39 -21.887 -6.578 -6.780 260 HA ALA 39 HA ALA 39 -24.577 -6.322 -7.527 261 HB1 ALA 39 HB1 ALA 39 -23.456 -8.488 -7.152 262 HB2 ALA 39 HB2 ALA 39 -24.975 -8.355 -6.270 263 HB3 ALA 39 HB3 ALA 39 -23.442 -8.160 -5.422 264 H ALA 40 HN ALA 40 -23.036 -6.065 -4.348 265 HA ALA 40 HA ALA 40 -25.361 -5.328 -2.905 266 HB1 ALA 40 HB1 ALA 40 -22.477 -4.681 -2.305 267 HB2 ALA 40 HB2 ALA 40 -23.323 -6.153 -1.817 268 HB3 ALA 40 HB3 ALA 40 -23.821 -4.588 -1.164 269 H ALA 41 HN ALA 41 -22.965 -3.450 -4.651 270 HA ALA 41 HA ALA 41 -23.839 -0.911 -3.827 271 HB1 ALA 41 HB1 ALA 41 -21.691 -1.303 -4.914 272 HB2 ALA 41 HB2 ALA 41 -22.625 -0.049 -5.735 273 HB3 ALA 41 HB3 ALA 41 -22.523 -1.673 -6.428 274 H SER 42 HN SER 42 -24.941 -3.063 -6.385 275 HA SER 42 HA SER 42 -26.611 -1.243 -7.699 276 HB2 SER 42 HB2 SER 42 -27.030 -4.219 -7.327 277 HB3 SER 42 HB1 SER 42 -27.833 -3.197 -8.517 278 HG SER 42 HG SER 42 -25.027 -3.673 -8.344 279 H ASN 43 HN ASN 43 -27.211 -3.477 -5.003 280 HA ASN 43 HA ASN 43 -29.886 -2.747 -4.491 281 HB2 ASN 43 HB2 ASN 43 -28.894 -4.766 -3.510 282 HB3 ASN 43 HB1 ASN 43 -27.757 -3.785 -2.593 283 HD21 ASN 43 HD21 ASN 43 -28.422 -4.519 -0.605 284 HD22 ASN 43 HD22 ASN 43 -29.956 -4.122 0.075 285 H ALA 44 HN ALA 44 -26.799 -1.515 -3.380 286 HA ALA 44 HA ALA 44 -27.666 0.217 -1.424 287 HB1 ALA 44 HB1 ALA 44 -25.529 1.349 -1.687 288 HB2 ALA 44 HB2 ALA 44 -25.284 0.534 -3.233 289 HB3 ALA 44 HB3 ALA 44 -25.336 -0.403 -1.740 290 H ILE 45 HN ILE 45 -26.996 0.957 -4.873 291 HA ILE 45 HA ILE 45 -27.886 3.642 -4.590 292 HB ILE 45 HB ILE 45 -26.316 3.035 -6.391 293 HG12 ILE 45 HG12 ILE 45 -28.918 4.103 -7.511 294 HG13 ILE 45 HG11 ILE 45 -27.776 5.050 -6.574 295 HG21 ILE 45 HG21 ILE 45 -27.138 1.905 -8.431 296 HG22 ILE 45 HG22 ILE 45 -28.647 1.550 -7.586 297 HG23 ILE 45 HG23 ILE 45 -27.132 0.859 -7.007 298 HD11 ILE 45 HD11 ILE 45 -27.226 3.755 -9.232 299 HD12 ILE 45 HD12 ILE 45 -26.087 4.731 -8.298 300 HD13 ILE 45 HD13 ILE 45 -27.550 5.467 -8.958 301 H LYS 46 HN LYS 46 -29.444 0.664 -5.577 302 HA LYS 46 HA LYS 46 -31.792 1.740 -6.636 303 HB2 LYS 46 HB2 LYS 46 -31.123 -0.614 -6.883 304 HB3 LYS 46 HB1 LYS 46 -31.460 -0.871 -5.178 305 HG2 LYS 46 HG2 LYS 46 -33.807 -0.377 -5.545 306 HG3 LYS 46 HG1 LYS 46 -33.490 -0.048 -7.250 307 HD2 LYS 46 HD2 LYS 46 -34.376 -2.284 -7.054 308 HD3 LYS 46 HD1 LYS 46 -32.669 -2.390 -7.483 309 HE2 LYS 46 HE2 LYS 46 -32.098 -2.819 -5.155 310 HE3 LYS 46 HE1 LYS 46 -33.791 -2.659 -4.700 311 HZ1 LYS 46 HZ1 LYS 46 -33.151 -4.964 -4.898 312 HZ2 LYS 46 HZ2 LYS 46 -32.671 -4.737 -6.501 313 HZ3 LYS 46 HZ3 LYS 46 -34.295 -4.588 -6.076 314 H PHE 47 HN PHE 47 -30.998 0.766 -3.307 315 HA PHE 47 HA PHE 47 -33.617 1.568 -2.387 316 HB2 PHE 47 HB2 PHE 47 -32.476 -0.492 -1.533 317 HB3 PHE 47 HB1 PHE 47 -31.316 0.554 -0.726 318 HD1 PHE 47 HD1 PHE 47 -34.991 -0.059 -0.949 319 HD2 PHE 47 HD2 PHE 47 -31.723 1.187 1.482 320 HE1 PHE 47 HE1 PHE 47 -36.487 0.068 1.000 321 HE2 PHE 47 HE2 PHE 47 -33.213 1.298 3.433 322 HZ PHE 47 HZ PHE 47 -35.595 0.745 3.193 323 H GLY 48 HN GLY 48 -30.903 3.250 -3.067 324 HA2 GLY 48 HA2 GLY 48 -30.516 5.510 -2.695 325 HA3 GLY 48 HA1 GLY 48 -31.878 5.523 -1.589 326 H HIS 49 HN HIS 49 -29.249 3.284 -1.284 327 HA HIS 49 HA HIS 49 -28.658 3.994 1.406 328 HB2 HIS 49 HB2 HIS 49 -27.060 2.495 -0.670 329 HB3 HIS 49 HB1 HIS 49 -26.601 2.579 1.026 330 HD2 HIS 49 HD2 HIS 49 -30.301 1.842 0.320 331 HE1 HIS 49 HE1 HIS 49 -28.382 -1.870 1.043 332 HE2 HIS 49 HE2 HIS 49 -30.585 -0.704 0.788 333 H GLU 50 HN GLU 50 -27.244 5.600 2.143 334 HA GLU 50 HA GLU 50 -26.048 7.383 0.315 335 HB2 GLU 50 HB2 GLU 50 -26.504 8.006 2.669 336 HB3 GLU 50 HB1 GLU 50 -25.253 6.887 3.191 337 HG2 GLU 50 HG2 GLU 50 -23.588 8.180 1.911 338 HG3 GLU 50 HG1 GLU 50 -24.848 9.325 1.464 339 H VAL 51 HN VAL 51 -24.399 6.990 -0.973 340 HA VAL 51 HA VAL 51 -22.628 4.756 -0.339 341 HB VAL 51 HB VAL 51 -22.907 6.318 -2.922 342 HG11 VAL 51 HG11 VAL 51 -21.402 3.782 -2.312 343 HG12 VAL 51 HG12 VAL 51 -20.706 5.358 -2.699 344 HG13 VAL 51 HG13 VAL 51 -21.630 4.480 -3.918 345 HG21 VAL 51 HG21 VAL 51 -23.960 3.578 -2.205 346 HG22 VAL 51 HG22 VAL 51 -24.082 4.358 -3.782 347 HG23 VAL 51 HG23 VAL 51 -24.925 5.040 -2.396 348 H ARG 52 HN ARG 52 -20.723 5.160 0.522 349 HA ARG 52 HA ARG 52 -19.586 7.849 0.126 350 HB2 ARG 52 HB2 ARG 52 -20.209 7.093 2.485 351 HB3 ARG 52 HB1 ARG 52 -18.873 5.953 2.349 352 HG2 ARG 52 HG2 ARG 52 -18.128 7.893 3.547 353 HG3 ARG 52 HG1 ARG 52 -17.335 7.849 1.969 354 HD2 ARG 52 HD2 ARG 52 -19.883 9.350 2.148 355 HD3 ARG 52 HD1 ARG 52 -18.488 10.052 2.955 356 HE ARG 52 HE ARG 52 -17.347 10.004 0.787 357 HH11 ARG 52 HH11 ARG 52 -20.869 9.739 0.708 358 HH12 ARG 52 HH12 ARG 52 -20.993 10.463 -0.855 359 HH21 ARG 52 HH21 ARG 52 -17.556 10.983 -1.259 360 HH22 ARG 52 HH22 ARG 52 -19.125 11.187 -1.966 361 H ILE 53 HN ILE 53 -17.683 7.996 -0.863 362 HA ILE 53 HA ILE 53 -16.373 5.496 -1.568 363 HB ILE 53 HB ILE 53 -15.297 6.854 -3.402 364 HG12 ILE 53 HG12 ILE 53 -17.420 8.889 -2.650 365 HG13 ILE 53 HG11 ILE 53 -15.691 9.083 -2.386 366 HG21 ILE 53 HG21 ILE 53 -17.132 5.350 -3.857 367 HG22 ILE 53 HG22 ILE 53 -17.282 6.802 -4.850 368 HG23 ILE 53 HG23 ILE 53 -18.302 6.599 -3.424 369 HD11 ILE 53 HD11 ILE 53 -16.419 10.318 -4.332 370 HD12 ILE 53 HD12 ILE 53 -17.064 8.840 -5.047 371 HD13 ILE 53 HD13 ILE 53 -15.328 9.015 -4.803 372 H THR 54 HN THR 54 -14.672 5.052 -0.425 373 HA THR 54 HA THR 54 -12.914 7.280 0.272 374 HB THR 54 HB THR 54 -13.320 4.734 1.860 375 HG1 THR 54 HG1 THR 54 -14.500 7.269 1.952 376 HG21 THR 54 HG21 THR 54 -11.782 7.267 2.486 377 HG22 THR 54 HG22 THR 54 -11.068 5.700 2.107 378 HG23 THR 54 HG23 THR 54 -12.006 5.909 3.585 379 H VAL 55 HN VAL 55 -11.632 7.044 -1.484 380 HA VAL 55 HA VAL 55 -10.118 4.522 -1.658 381 HB VAL 55 HB VAL 55 -10.736 6.378 -3.973 382 HG11 VAL 55 HG11 VAL 55 -8.615 5.246 -4.254 383 HG12 VAL 55 HG12 VAL 55 -9.805 4.560 -5.363 384 HG13 VAL 55 HG13 VAL 55 -9.362 3.693 -3.892 385 HG21 VAL 55 HG21 VAL 55 -12.182 4.563 -4.801 386 HG22 VAL 55 HG22 VAL 55 -12.749 5.204 -3.258 387 HG23 VAL 55 HG23 VAL 55 -11.891 3.663 -3.313 388 HA PRO 56 HA PRO 56 -6.913 7.663 -0.894 389 HB2 PRO 56 HB2 PRO 56 -5.468 6.234 0.847 390 HB3 PRO 56 HB1 PRO 56 -6.940 7.073 1.355 391 HG2 PRO 56 HG2 PRO 56 -6.537 4.178 0.737 392 HG3 PRO 56 HG1 PRO 56 -7.491 4.919 2.032 393 HD2 PRO 56 HD2 PRO 56 -8.517 3.958 -0.341 394 HD3 PRO 56 HD1 PRO 56 -9.313 5.172 0.676 395 H GLY 57 HN GLY 57 -4.847 7.726 -1.809 396 HA2 GLY 57 HA2 GLY 57 -4.246 5.523 -3.609 397 HA3 GLY 57 HA1 GLY 57 -3.469 7.103 -3.591 398 H ASN 58 HN ASN 58 -2.088 4.630 -3.744 399 HA ASN 58 HA ASN 58 -1.115 3.857 -1.188 400 HB2 ASN 58 HB2 ASN 58 0.049 3.463 -3.953 401 HB3 ASN 58 HB1 ASN 58 0.763 2.787 -2.495 402 HD21 ASN 58 HD21 ASN 58 -1.928 2.280 -1.305 403 HD22 ASN 58 HD22 ASN 58 -2.519 0.892 -2.148 404 H ASP 59 HN ASP 59 -0.129 5.197 0.105 405 HA ASP 59 HA ASP 59 1.455 7.402 -0.918 406 HB2 ASP 59 HB2 ASP 59 -0.133 7.599 1.049 407 HB3 ASP 59 HB1 ASP 59 1.010 6.636 1.979 408 H GLY 60 HN GLY 60 3.648 7.804 -0.322 409 HA2 GLY 60 HA2 GLY 60 5.355 5.572 -0.572 410 HA3 GLY 60 HA1 GLY 60 5.855 7.206 -0.160 411 H SER 61 HN SER 61 3.945 7.116 2.183 412 HA SER 61 HA SER 61 3.949 6.637 4.396 413 HB2 SER 61 HB2 SER 61 5.264 4.028 3.618 414 HB3 SER 61 HB1 SER 61 4.338 4.364 5.082 415 HG SER 61 HG SER 61 3.247 4.587 2.467 416 H GLU 62 HN GLU 62 6.371 7.809 3.027 417 HA GLU 62 HA GLU 62 8.323 8.773 3.667 418 HB2 GLU 62 HB2 GLU 62 7.654 7.622 6.378 419 HB3 GLU 62 HB1 GLU 62 8.941 8.779 6.065 420 HG2 GLU 62 HG2 GLU 62 6.006 9.263 5.587 421 HG3 GLU 62 HG1 GLU 62 6.925 9.819 6.983 422 H THR 63 HN THR 63 7.911 5.598 3.341 423 HA THR 63 HA THR 63 10.529 4.766 4.274 424 HB THR 63 HB THR 63 9.848 2.525 3.301 425 HG1 THR 63 HG1 THR 63 7.819 4.046 2.331 426 HG21 THR 63 HG21 THR 63 8.245 2.043 5.104 427 HG22 THR 63 HG22 THR 63 8.051 3.775 5.379 428 HG23 THR 63 HG23 THR 63 9.610 3.003 5.675 429 H ASN 64 HN ASN 64 11.989 3.587 2.807 430 HA ASN 64 HA ASN 64 12.307 5.071 0.337 431 HB2 ASN 64 HB2 ASN 64 14.252 4.608 1.829 432 HB3 ASN 64 HB1 ASN 64 14.042 2.887 1.531 433 HD21 ASN 64 HD21 ASN 64 16.305 4.650 0.996 434 HD22 ASN 64 HD22 ASN 64 16.634 4.500 -0.696 435 H LEU 65 HN LEU 65 11.193 4.423 -1.361 436 HA LEU 65 HA LEU 65 10.541 1.598 -1.644 437 HB2 LEU 65 HB2 LEU 65 9.416 4.025 -3.038 438 HB3 LEU 65 HB1 LEU 65 8.915 2.379 -3.361 439 HG LEU 65 HG LEU 65 8.600 3.790 -0.710 440 HD11 LEU 65 HD11 LEU 65 6.607 3.219 -2.897 441 HD12 LEU 65 HD12 LEU 65 7.164 4.806 -2.359 442 HD13 LEU 65 HD13 LEU 65 6.198 3.793 -1.282 443 HD21 LEU 65 HD21 LEU 65 7.146 1.884 -0.161 444 HD22 LEU 65 HD22 LEU 65 8.811 1.378 -0.452 445 HD23 LEU 65 HD23 LEU 65 7.578 1.124 -1.689 446 H GLY 66 HN GLY 66 13.079 3.239 -2.406 447 HA2 GLY 66 HA2 GLY 66 13.399 3.178 -5.171 448 HA3 GLY 66 HA1 GLY 66 14.707 3.086 -4.000 449 H VAL 67 HN VAL 67 14.094 1.704 -6.614 450 HA VAL 67 HA VAL 67 13.757 -1.045 -5.788 451 HB VAL 67 HB VAL 67 13.923 -1.546 -8.267 452 HG11 VAL 67 HG11 VAL 67 11.812 0.382 -7.317 453 HG12 VAL 67 HG12 VAL 67 11.783 -1.375 -7.169 454 HG13 VAL 67 HG13 VAL 67 11.685 -0.622 -8.758 455 HG21 VAL 67 HG21 VAL 67 13.627 0.359 -9.812 456 HG22 VAL 67 HG22 VAL 67 15.176 0.415 -8.986 457 HG23 VAL 67 HG23 VAL 67 13.871 1.470 -8.466 458 H ILE 68 HN ILE 68 15.549 -1.607 -4.681 459 HA ILE 68 HA ILE 68 18.136 -1.462 -6.013 460 HB ILE 68 HB ILE 68 17.445 -2.657 -3.307 461 HG12 ILE 68 HG12 ILE 68 18.663 0.040 -3.952 462 HG13 ILE 68 HG11 ILE 68 16.994 -0.210 -3.477 463 HG21 ILE 68 HG21 ILE 68 20.102 -1.939 -4.548 464 HG22 ILE 68 HG22 ILE 68 19.504 -3.564 -4.237 465 HG23 ILE 68 HG23 ILE 68 19.872 -2.489 -2.890 466 HD11 ILE 68 HD11 ILE 68 19.439 -0.730 -1.807 467 HD12 ILE 68 HD12 ILE 68 17.795 -1.135 -1.323 468 HD13 ILE 68 HD13 ILE 68 18.246 0.552 -1.586 469 H THR 69 HN THR 69 15.673 -3.720 -5.012 470 HA THR 69 HA THR 69 17.058 -5.987 -6.207 471 HB THR 69 HB THR 69 14.277 -5.943 -4.999 472 HG1 THR 69 HG1 THR 69 15.509 -5.281 -3.331 473 HG21 THR 69 HG21 THR 69 14.750 -8.322 -4.586 474 HG22 THR 69 HG22 THR 69 16.332 -8.131 -5.348 475 HG23 THR 69 HG23 THR 69 14.861 -7.923 -6.305 476 H ASN 70 HN ASN 70 16.573 -6.678 -8.244 477 HA ASN 70 HA ASN 70 14.062 -5.846 -9.447 478 HB2 ASN 70 HB2 ASN 70 15.141 -5.012 -11.483 479 HB3 ASN 70 HB1 ASN 70 15.644 -4.074 -10.087 480 HD21 ASN 70 HD21 ASN 70 17.769 -4.225 -9.363 481 HD22 ASN 70 HD22 ASN 70 19.019 -4.920 -10.329 Start of MODEL 19 1 H MET 1 HT1 MET 1 0.447 -10.495 -10.657 2 HA MET 1 HA MET 1 0.076 -8.100 -12.340 3 HB2 MET 1 HB2 MET 1 -1.898 -10.092 -11.202 4 HB3 MET 1 HB1 MET 1 -2.353 -8.562 -11.932 5 HG2 MET 1 HG2 MET 1 -1.377 -9.292 -14.059 6 HG3 MET 1 HG1 MET 1 -0.948 -10.835 -13.328 7 HE1 MET 1 HE1 MET 1 -4.356 -12.554 -12.732 8 HE2 MET 1 HE2 MET 1 -3.403 -11.643 -11.563 9 HE3 MET 1 HE3 MET 1 -2.597 -12.709 -12.716 10 H GLY 2 HN GLY 2 -0.847 -6.328 -11.269 11 HA2 GLY 2 HA2 GLY 2 -0.126 -6.171 -8.476 12 HA3 GLY 2 HA1 GLY 2 -0.758 -4.867 -9.474 13 H LYS 3 HN LYS 3 -1.475 -7.272 -7.181 14 HA LYS 3 HA LYS 3 -4.270 -7.472 -7.543 15 HB2 LYS 3 HB2 LYS 3 -4.282 -8.339 -5.193 16 HB3 LYS 3 HB1 LYS 3 -3.177 -9.173 -6.275 17 HG2 LYS 3 HG2 LYS 3 -1.299 -7.956 -5.325 18 HG3 LYS 3 HG1 LYS 3 -2.394 -7.050 -4.279 19 HD2 LYS 3 HD2 LYS 3 -3.077 -9.125 -3.184 20 HD3 LYS 3 HD1 LYS 3 -2.008 -10.044 -4.243 21 HE2 LYS 3 HE2 LYS 3 -1.091 -7.890 -2.342 22 HE3 LYS 3 HE1 LYS 3 -1.079 -9.609 -1.969 23 HZ1 LYS 3 HZ1 LYS 3 0.470 -8.254 -4.113 24 HZ2 LYS 3 HZ2 LYS 3 0.394 -9.929 -3.906 25 HZ3 LYS 3 HZ3 LYS 3 1.085 -8.968 -2.705 26 H ALA 4 HN ALA 4 -5.973 -6.531 -6.382 27 HA ALA 4 HA ALA 4 -5.388 -4.117 -4.851 28 HB1 ALA 4 HB1 ALA 4 -7.156 -4.086 -7.297 29 HB2 ALA 4 HB2 ALA 4 -5.543 -3.374 -7.191 30 HB3 ALA 4 HB3 ALA 4 -6.858 -2.732 -6.206 31 H TYR 5 HN TYR 5 -6.403 -4.655 -3.026 32 HA TYR 5 HA TYR 5 -9.141 -5.686 -3.196 33 HB2 TYR 5 HB2 TYR 5 -7.808 -7.188 -1.887 34 HB3 TYR 5 HB1 TYR 5 -7.094 -5.859 -0.976 35 HD1 TYR 5 HD1 TYR 5 -10.364 -7.568 -1.604 36 HD2 TYR 5 HD2 TYR 5 -8.024 -5.227 1.078 37 HE1 TYR 5 HE1 TYR 5 -12.090 -7.837 0.138 38 HE2 TYR 5 HE2 TYR 5 -9.744 -5.492 2.822 39 HH TYR 5 HH TYR 5 -12.159 -5.981 3.002 40 H TYR 6 HN TYR 6 -10.761 -4.476 -2.575 41 HA TYR 6 HA TYR 6 -10.170 -2.087 -1.005 42 HB2 TYR 6 HB2 TYR 6 -12.231 -1.097 -2.035 43 HB3 TYR 6 HB1 TYR 6 -10.938 -1.396 -3.184 44 HD1 TYR 6 HD1 TYR 6 -14.333 -2.195 -2.224 45 HD2 TYR 6 HD2 TYR 6 -11.119 -3.282 -4.783 46 HE1 TYR 6 HE1 TYR 6 -15.891 -3.458 -3.636 47 HE2 TYR 6 HE2 TYR 6 -12.668 -4.549 -6.201 48 HH TYR 6 HH TYR 6 -16.057 -4.283 -5.908 49 H ASP 7 HN ASP 7 -11.174 -1.878 0.880 50 HA ASP 7 HA ASP 7 -12.735 -4.162 1.725 51 HB2 ASP 7 HB2 ASP 7 -10.831 -3.443 3.099 52 HB3 ASP 7 HB1 ASP 7 -11.597 -1.874 3.326 53 H ILE 8 HN ILE 8 -14.803 -4.052 1.384 54 HA ILE 8 HA ILE 8 -16.165 -1.520 1.167 55 HB ILE 8 HB ILE 8 -18.146 -2.887 0.560 56 HG12 ILE 8 HG12 ILE 8 -16.222 -5.224 0.747 57 HG13 ILE 8 HG11 ILE 8 -17.532 -4.904 1.882 58 HG21 ILE 8 HG21 ILE 8 -15.623 -3.462 -0.975 59 HG22 ILE 8 HG22 ILE 8 -16.656 -2.041 -1.148 60 HG23 ILE 8 HG23 ILE 8 -17.263 -3.635 -1.597 61 HD11 ILE 8 HD11 ILE 8 -17.831 -5.530 -1.047 62 HD12 ILE 8 HD12 ILE 8 -19.152 -5.199 0.073 63 HD13 ILE 8 HD13 ILE 8 -18.144 -6.627 0.298 64 H VAL 9 HN VAL 9 -18.002 -0.935 2.287 65 HA VAL 9 HA VAL 9 -18.362 -2.209 4.931 66 HB VAL 9 HB VAL 9 -18.811 0.674 4.074 67 HG11 VAL 9 HG11 VAL 9 -19.467 1.123 6.390 68 HG12 VAL 9 HG12 VAL 9 -19.342 -0.596 6.758 69 HG13 VAL 9 HG13 VAL 9 -20.561 -0.026 5.620 70 HG21 VAL 9 HG21 VAL 9 -16.869 -0.503 6.063 71 HG22 VAL 9 HG22 VAL 9 -17.088 1.214 5.736 72 HG23 VAL 9 HG23 VAL 9 -16.466 0.150 4.476 73 H GLY 10 HN GLY 10 -20.402 -3.007 5.313 74 HA2 GLY 10 HA2 GLY 10 -22.305 -2.558 3.117 75 HA3 GLY 10 HA1 GLY 10 -22.160 -4.056 4.012 76 H SER 11 HN SER 11 -23.866 -1.281 3.624 77 HA SER 11 HA SER 11 -25.630 -1.997 5.767 78 HB2 SER 11 HB2 SER 11 -24.396 0.775 5.671 79 HB3 SER 11 HB1 SER 11 -25.741 0.297 6.710 80 HG SER 11 HG SER 11 -23.683 -1.424 6.990 81 H ASP 12 HN ASP 12 -27.736 -1.329 5.338 82 HA ASP 12 HA ASP 12 -28.303 -0.920 2.585 83 HB2 ASP 12 HB2 ASP 12 -30.652 -0.975 3.217 84 HB3 ASP 12 HB1 ASP 12 -29.775 -2.245 4.056 85 H ASN 13 HN ASN 13 -27.864 1.241 5.203 86 HA ASN 13 HA ASN 13 -29.140 3.431 3.712 87 HB2 ASN 13 HB2 ASN 13 -28.167 3.247 6.546 88 HB3 ASN 13 HB1 ASN 13 -28.796 4.720 5.818 89 HD21 ASN 13 HD21 ASN 13 -30.846 3.378 4.291 90 HD22 ASN 13 HD22 ASN 13 -32.045 2.868 5.423 91 H ARG 14 HN ARG 14 -26.084 2.258 4.849 92 HA ARG 14 HA ARG 14 -24.743 4.553 3.585 93 HB2 ARG 14 HB2 ARG 14 -23.865 3.339 6.216 94 HB3 ARG 14 HB1 ARG 14 -23.163 4.728 5.408 95 HG2 ARG 14 HG2 ARG 14 -25.924 4.617 6.593 96 HG3 ARG 14 HG1 ARG 14 -24.510 5.340 7.357 97 HD2 ARG 14 HD2 ARG 14 -25.655 6.210 4.708 98 HD3 ARG 14 HD1 ARG 14 -26.041 6.956 6.253 99 HE ARG 14 HE ARG 14 -23.652 7.319 4.706 100 HH11 ARG 14 HH11 ARG 14 -24.912 7.348 7.992 101 HH12 ARG 14 HH12 ARG 14 -23.848 8.596 8.531 102 HH21 ARG 14 HH21 ARG 14 -22.263 9.010 5.421 103 HH22 ARG 14 HH22 ARG 14 -22.328 9.534 7.071 104 H TRP 15 HN TRP 15 -23.958 3.392 1.868 105 HA TRP 15 HA TRP 15 -22.390 1.012 2.559 106 HB2 TRP 15 HB2 TRP 15 -24.355 0.947 0.850 107 HB3 TRP 15 HB1 TRP 15 -23.208 1.726 -0.239 108 HD1 TRP 15 HD1 TRP 15 -23.671 -1.551 1.746 109 HE1 TRP 15 HE1 TRP 15 -22.299 -3.402 0.607 110 HE3 TRP 15 HE3 TRP 15 -21.312 1.255 -1.823 111 HZ2 TRP 15 HZ2 TRP 15 -20.476 -3.650 -1.512 112 HZ3 TRP 15 HZ3 TRP 15 -19.775 0.121 -3.370 113 HH2 TRP 15 HH2 TRP 15 -19.366 -2.276 -3.215 114 H GLY 16 HN GLY 16 -20.283 1.100 2.394 115 HA2 GLY 16 HA2 GLY 16 -19.183 3.574 1.245 116 HA3 GLY 16 HA1 GLY 16 -18.600 2.876 2.745 117 H ILE 17 HN ILE 17 -17.476 3.487 0.004 118 HA ILE 17 HA ILE 17 -16.344 0.840 -0.623 119 HB ILE 17 HB ILE 17 -16.333 3.383 -2.292 120 HG12 ILE 17 HG12 ILE 17 -18.018 0.944 -2.823 121 HG13 ILE 17 HG11 ILE 17 -18.589 2.171 -1.701 122 HG21 ILE 17 HG21 ILE 17 -15.693 1.876 -4.129 123 HG22 ILE 17 HG22 ILE 17 -15.718 0.500 -3.027 124 HG23 ILE 17 HG23 ILE 17 -14.519 1.781 -2.814 125 HD11 ILE 17 HD11 ILE 17 -17.953 2.546 -4.613 126 HD12 ILE 17 HD12 ILE 17 -18.436 3.827 -3.488 127 HD13 ILE 17 HD13 ILE 17 -19.547 2.505 -3.848 128 H ARG 18 HN ARG 18 -14.575 0.695 0.722 129 HA ARG 18 HA ARG 18 -12.807 3.041 0.886 130 HB2 ARG 18 HB2 ARG 18 -13.719 2.153 3.036 131 HB3 ARG 18 HB1 ARG 18 -12.886 0.639 2.722 132 HG2 ARG 18 HG2 ARG 18 -10.741 1.899 2.685 133 HG3 ARG 18 HG1 ARG 18 -11.642 3.341 3.166 134 HD2 ARG 18 HD2 ARG 18 -10.695 2.400 5.144 135 HD3 ARG 18 HD1 ARG 18 -12.425 2.069 5.178 136 HE ARG 18 HE ARG 18 -11.986 -0.177 4.995 137 HH11 ARG 18 HH11 ARG 18 -9.028 1.635 4.392 138 HH12 ARG 18 HH12 ARG 18 -7.995 0.253 4.529 139 HH21 ARG 18 HH21 ARG 18 -10.584 -2.022 5.191 140 HH22 ARG 18 HH22 ARG 18 -8.875 -1.825 4.953 141 H HIS 19 HN HIS 19 -10.895 2.931 -0.117 142 HA HIS 19 HA HIS 19 -10.007 0.389 -1.186 143 HB2 HIS 19 HB2 HIS 19 -9.705 2.475 -2.499 144 HB3 HIS 19 HB1 HIS 19 -8.577 3.052 -1.276 145 HD1 HIS 19 HD1 HIS 19 -6.174 2.404 -1.614 146 HD2 HIS 19 HD2 HIS 19 -8.762 0.012 -3.819 147 HE1 HIS 19 HE1 HIS 19 -4.704 0.956 -3.036 148 H ASP 20 HN ASP 20 -8.877 -1.002 -0.150 149 HA ASP 20 HA ASP 20 -7.667 -0.302 2.356 150 HB2 ASP 20 HB2 ASP 20 -8.882 -2.515 1.727 151 HB3 ASP 20 HB1 ASP 20 -7.381 -2.941 0.917 152 H ASP 21 HN ASP 21 -5.774 0.711 2.312 153 HA ASP 21 HA ASP 21 -4.273 0.983 -0.048 154 HB2 ASP 21 HB2 ASP 21 -2.732 2.330 1.267 155 HB3 ASP 21 HB1 ASP 21 -4.417 2.717 1.623 156 H ASP 22 HN ASP 22 -3.813 -1.078 2.743 157 HA ASP 22 HA ASP 22 -2.041 -2.624 1.038 158 HB2 ASP 22 HB2 ASP 22 -0.495 -3.187 2.820 159 HB3 ASP 22 HB1 ASP 22 -0.582 -1.441 2.701 160 HA PRO 23 HA PRO 23 -5.262 -5.470 1.507 161 HB2 PRO 23 HB2 PRO 23 -3.745 -7.778 1.087 162 HB3 PRO 23 HB1 PRO 23 -4.509 -6.790 -0.160 163 HG2 PRO 23 HG2 PRO 23 -1.688 -6.767 0.813 164 HG3 PRO 23 HG1 PRO 23 -2.311 -6.552 -0.832 165 HD2 PRO 23 HD2 PRO 23 -1.460 -4.469 0.598 166 HD3 PRO 23 HD1 PRO 23 -2.883 -4.326 -0.454 167 H THR 24 HN THR 24 -6.002 -5.589 3.486 168 HA THR 24 HA THR 24 -4.576 -7.234 5.450 169 HB THR 24 HB THR 24 -5.272 -4.834 6.069 170 HG1 THR 24 HG1 THR 24 -4.857 -5.909 7.849 171 HG21 THR 24 HG21 THR 24 -8.013 -6.105 6.118 172 HG22 THR 24 HG22 THR 24 -7.484 -4.804 5.055 173 HG23 THR 24 HG23 THR 24 -7.612 -4.524 6.792 174 H GLY 25 HN GLY 25 -7.406 -6.852 3.515 175 HA2 GLY 25 HA2 GLY 25 -8.572 -9.302 4.624 176 HA3 GLY 25 HA1 GLY 25 -9.410 -8.129 3.608 177 H ASP 26 HN ASP 26 -7.469 -10.924 3.678 178 HA ASP 26 HA ASP 26 -6.543 -10.866 1.005 179 HB2 ASP 26 HB2 ASP 26 -5.482 -12.246 2.672 180 HB3 ASP 26 HB1 ASP 26 -6.956 -13.194 2.870 181 H TYR 27 HN TYR 27 -7.260 -11.977 -0.805 182 HA TYR 27 HA TYR 27 -9.970 -13.027 -0.741 183 HB2 TYR 27 HB2 TYR 27 -9.309 -10.436 -1.694 184 HB3 TYR 27 HB1 TYR 27 -9.722 -11.435 -3.084 185 HD1 TYR 27 HD1 TYR 27 -10.965 -10.239 0.196 186 HD2 TYR 27 HD2 TYR 27 -11.934 -12.016 -3.535 187 HE1 TYR 27 HE1 TYR 27 -13.355 -9.957 0.692 188 HE2 TYR 27 HE2 TYR 27 -14.309 -11.733 -3.067 189 HH TYR 27 HH TYR 27 -15.795 -11.477 -1.104 190 H SER 28 HN SER 28 -10.218 -14.736 -2.061 191 HA SER 28 HA SER 28 -7.958 -15.872 -3.257 192 HB2 SER 28 HB2 SER 28 -10.873 -16.602 -3.582 193 HB3 SER 28 HB1 SER 28 -9.512 -17.612 -4.078 194 HG SER 28 HG SER 28 -9.122 -16.872 -1.554 195 H SER 29 HN SER 29 -10.713 -14.088 -4.597 196 HA SER 29 HA SER 29 -9.186 -13.554 -6.990 197 HB2 SER 29 HB2 SER 29 -10.263 -15.673 -7.582 198 HB3 SER 29 HB1 SER 29 -11.835 -15.013 -7.147 199 HG SER 29 HG SER 29 -10.907 -14.977 -9.485 200 H LYS 30 HN LYS 30 -9.923 -11.775 -8.139 201 HA LYS 30 HA LYS 30 -11.296 -9.800 -6.682 202 HB2 LYS 30 HB2 LYS 30 -10.301 -9.978 -9.468 203 HB3 LYS 30 HB1 LYS 30 -11.397 -8.675 -9.030 204 HG2 LYS 30 HG2 LYS 30 -9.908 -8.037 -7.237 205 HG3 LYS 30 HG1 LYS 30 -8.758 -9.286 -7.738 206 HD2 LYS 30 HD2 LYS 30 -9.705 -6.962 -9.450 207 HD3 LYS 30 HD1 LYS 30 -8.148 -7.052 -8.628 208 HE2 LYS 30 HE2 LYS 30 -7.482 -8.926 -9.985 209 HE3 LYS 30 HE1 LYS 30 -9.083 -9.024 -10.711 210 HZ1 LYS 30 HZ1 LYS 30 -8.738 -6.911 -11.766 211 HZ2 LYS 30 HZ2 LYS 30 -7.436 -7.916 -12.143 212 HZ3 LYS 30 HZ3 LYS 30 -7.253 -6.699 -10.987 213 H GLU 31 HN GLU 31 -12.452 -12.171 -8.977 214 HA GLU 31 HA GLU 31 -14.770 -10.795 -9.713 215 HB2 GLU 31 HB2 GLU 31 -15.589 -12.830 -10.572 216 HB3 GLU 31 HB1 GLU 31 -13.845 -12.869 -10.820 217 HG2 GLU 31 HG2 GLU 31 -13.665 -14.245 -8.758 218 HG3 GLU 31 HG1 GLU 31 -15.432 -14.252 -8.700 219 H ALA 32 HN ALA 32 -14.064 -12.928 -6.982 220 HA ALA 32 HA ALA 32 -16.711 -13.051 -6.015 221 HB1 ALA 32 HB1 ALA 32 -15.013 -14.597 -5.229 222 HB2 ALA 32 HB2 ALA 32 -15.730 -13.697 -3.887 223 HB3 ALA 32 HB3 ALA 32 -14.128 -13.261 -4.484 224 H ALA 33 HN ALA 33 -14.102 -10.770 -5.558 225 HA ALA 33 HA ALA 33 -15.393 -9.285 -3.495 226 HB1 ALA 33 HB1 ALA 33 -13.150 -8.454 -5.341 227 HB2 ALA 33 HB2 ALA 33 -12.953 -9.254 -3.781 228 HB3 ALA 33 HB3 ALA 33 -13.637 -7.628 -3.860 229 H PHE 34 HN PHE 34 -14.738 -8.574 -6.910 230 HA PHE 34 HA PHE 34 -16.246 -6.256 -6.958 231 HB2 PHE 34 HB2 PHE 34 -15.246 -8.049 -9.127 232 HB3 PHE 34 HB1 PHE 34 -16.248 -6.651 -9.498 233 HD1 PHE 34 HD1 PHE 34 -13.013 -7.777 -8.223 234 HD2 PHE 34 HD2 PHE 34 -15.429 -4.418 -9.215 235 HE1 PHE 34 HE1 PHE 34 -11.037 -6.338 -8.125 236 HE2 PHE 34 HE2 PHE 34 -13.436 -2.966 -9.127 237 HZ PHE 34 HZ PHE 34 -11.232 -3.947 -8.574 238 H GLU 35 HN GLU 35 -17.138 -9.584 -7.890 239 HA GLU 35 HA GLU 35 -19.630 -8.978 -8.948 240 HB2 GLU 35 HB2 GLU 35 -18.595 -11.167 -9.236 241 HB3 GLU 35 HB1 GLU 35 -18.808 -11.500 -7.527 242 HG2 GLU 35 HG2 GLU 35 -21.225 -11.391 -7.782 243 HG3 GLU 35 HG1 GLU 35 -21.037 -11.021 -9.492 244 H ALA 36 HN ALA 36 -18.790 -10.062 -5.673 245 HA ALA 36 HA ALA 36 -21.421 -9.872 -4.689 246 HB1 ALA 36 HB1 ALA 36 -20.483 -10.112 -2.496 247 HB2 ALA 36 HB2 ALA 36 -18.867 -9.782 -3.125 248 HB3 ALA 36 HB3 ALA 36 -19.732 -11.243 -3.621 249 H ALA 37 HN ALA 37 -18.664 -7.640 -4.502 250 HA ALA 37 HA ALA 37 -19.874 -5.735 -2.850 251 HB1 ALA 37 HB1 ALA 37 -18.120 -4.235 -3.518 252 HB2 ALA 37 HB2 ALA 37 -17.771 -5.221 -4.942 253 HB3 ALA 37 HB3 ALA 37 -17.456 -5.859 -3.331 254 H CYS 38 HN CYS 38 -19.688 -5.854 -6.414 255 HA CYS 38 HA CYS 38 -21.145 -3.473 -6.726 256 HB2 CYS 38 HB2 CYS 38 -21.296 -3.965 -9.060 257 HB3 CYS 38 HB1 CYS 38 -19.698 -4.431 -8.494 258 HG CYS 38 HG CYS 38 -20.168 -7.143 -8.531 259 H ALA 39 HN ALA 39 -22.101 -6.858 -6.463 260 HA ALA 39 HA ALA 39 -24.808 -6.603 -7.120 261 HB1 ALA 39 HB1 ALA 39 -23.711 -8.771 -6.845 262 HB2 ALA 39 HB2 ALA 39 -25.147 -8.660 -5.832 263 HB3 ALA 39 HB3 ALA 39 -23.544 -8.473 -5.116 264 H ALA 40 HN ALA 40 -23.167 -6.385 -3.990 265 HA ALA 40 HA ALA 40 -25.438 -5.673 -2.443 266 HB1 ALA 40 HB1 ALA 40 -22.542 -4.954 -1.953 267 HB2 ALA 40 HB2 ALA 40 -23.313 -6.462 -1.464 268 HB3 ALA 40 HB3 ALA 40 -23.841 -4.932 -0.761 269 H ALA 41 HN ALA 41 -23.101 -3.746 -4.242 270 HA ALA 41 HA ALA 41 -23.990 -1.218 -3.402 271 HB1 ALA 41 HB1 ALA 41 -22.855 -0.348 -5.373 272 HB2 ALA 41 HB2 ALA 41 -22.747 -1.974 -6.046 273 HB3 ALA 41 HB3 ALA 41 -21.864 -1.568 -4.574 274 H SER 42 HN SER 42 -25.054 -3.326 -6.035 275 HA SER 42 HA SER 42 -26.812 -1.515 -7.263 276 HB2 SER 42 HB2 SER 42 -27.093 -4.522 -7.091 277 HB3 SER 42 HB1 SER 42 -27.893 -3.460 -8.251 278 HG SER 42 HG SER 42 -25.067 -3.783 -7.991 279 H ASN 43 HN ASN 43 -27.342 -3.930 -4.719 280 HA ASN 43 HA ASN 43 -30.081 -3.393 -4.330 281 HB2 ASN 43 HB2 ASN 43 -29.094 -5.428 -3.445 282 HB3 ASN 43 HB1 ASN 43 -28.007 -4.497 -2.421 283 HD21 ASN 43 HD21 ASN 43 -28.730 -3.719 -0.491 284 HD22 ASN 43 HD22 ASN 43 -30.289 -4.070 0.157 285 H ALA 44 HN ALA 44 -27.173 -2.099 -2.838 286 HA ALA 44 HA ALA 44 -28.421 -0.502 -0.930 287 HB1 ALA 44 HB1 ALA 44 -26.293 0.649 -0.743 288 HB2 ALA 44 HB2 ALA 44 -25.760 -0.061 -2.266 289 HB3 ALA 44 HB3 ALA 44 -26.051 -1.092 -0.865 290 H ILE 45 HN ILE 45 -27.251 0.362 -4.211 291 HA ILE 45 HA ILE 45 -28.103 3.065 -4.024 292 HB ILE 45 HB ILE 45 -26.382 2.255 -5.665 293 HG12 ILE 45 HG12 ILE 45 -28.683 3.698 -6.994 294 HG13 ILE 45 HG11 ILE 45 -27.565 4.458 -5.868 295 HG21 ILE 45 HG21 ILE 45 -27.499 0.240 -6.435 296 HG22 ILE 45 HG22 ILE 45 -27.103 1.294 -7.792 297 HG23 ILE 45 HG23 ILE 45 -28.760 1.213 -7.196 298 HD11 ILE 45 HD11 ILE 45 -25.721 3.977 -7.388 299 HD12 ILE 45 HD12 ILE 45 -26.969 4.951 -8.159 300 HD13 ILE 45 HD13 ILE 45 -26.847 3.227 -8.519 301 H LYS 46 HN LYS 46 -29.636 0.138 -5.027 302 HA LYS 46 HA LYS 46 -31.952 1.159 -6.195 303 HB2 LYS 46 HB2 LYS 46 -31.330 -1.178 -6.333 304 HB3 LYS 46 HB1 LYS 46 -31.478 -1.354 -4.592 305 HG2 LYS 46 HG2 LYS 46 -33.873 -0.986 -4.745 306 HG3 LYS 46 HG1 LYS 46 -33.735 -0.759 -6.493 307 HD2 LYS 46 HD2 LYS 46 -32.898 -3.029 -6.734 308 HD3 LYS 46 HD1 LYS 46 -32.973 -3.256 -4.987 309 HE2 LYS 46 HE2 LYS 46 -35.340 -2.603 -6.721 310 HE3 LYS 46 HE1 LYS 46 -34.883 -4.234 -6.236 311 HZ1 LYS 46 HZ1 LYS 46 -35.158 -3.601 -3.920 312 HZ2 LYS 46 HZ2 LYS 46 -36.588 -3.312 -4.763 313 HZ3 LYS 46 HZ3 LYS 46 -35.575 -2.025 -4.360 314 H PHE 47 HN PHE 47 -31.024 0.633 -2.856 315 HA PHE 47 HA PHE 47 -33.645 1.280 -1.823 316 HB2 PHE 47 HB2 PHE 47 -32.123 -0.476 -0.844 317 HB3 PHE 47 HB1 PHE 47 -31.071 0.826 -0.306 318 HD1 PHE 47 HD1 PHE 47 -34.519 -0.491 -0.010 319 HD2 PHE 47 HD2 PHE 47 -31.463 1.897 1.734 320 HE1 PHE 47 HE1 PHE 47 -35.861 -0.284 2.041 321 HE2 PHE 47 HE2 PHE 47 -32.800 2.109 3.790 322 HZ PHE 47 HZ PHE 47 -34.999 1.021 3.941 323 H GLY 48 HN GLY 48 -31.036 3.061 -2.906 324 HA2 GLY 48 HA2 GLY 48 -30.775 5.377 -2.891 325 HA3 GLY 48 HA1 GLY 48 -32.071 5.490 -1.709 326 H HIS 49 HN HIS 49 -29.137 3.573 -1.487 327 HA HIS 49 HA HIS 49 -28.545 4.506 1.118 328 HB2 HIS 49 HB2 HIS 49 -26.705 3.073 1.059 329 HB3 HIS 49 HB1 HIS 49 -27.798 2.312 -0.088 330 HD2 HIS 49 HD2 HIS 49 -24.220 3.592 0.046 331 HE1 HIS 49 HE1 HIS 49 -25.124 3.169 -4.066 332 HE2 HIS 49 HE2 HIS 49 -23.300 3.360 -2.350 333 H GLU 50 HN GLU 50 -27.205 6.126 1.797 334 HA GLU 50 HA GLU 50 -26.198 8.043 -0.022 335 HB2 GLU 50 HB2 GLU 50 -26.603 8.564 2.320 336 HB3 GLU 50 HB1 GLU 50 -25.360 7.419 2.812 337 HG2 GLU 50 HG2 GLU 50 -23.710 8.801 1.519 338 HG3 GLU 50 HG1 GLU 50 -24.986 9.993 1.291 339 H VAL 51 HN VAL 51 -24.359 7.942 -1.194 340 HA VAL 51 HA VAL 51 -22.753 5.543 -0.831 341 HB VAL 51 HB VAL 51 -23.645 6.039 -3.099 342 HG11 VAL 51 HG11 VAL 51 -21.790 8.407 -3.019 343 HG12 VAL 51 HG12 VAL 51 -23.550 8.448 -3.096 344 HG13 VAL 51 HG13 VAL 51 -22.624 7.813 -4.454 345 HG21 VAL 51 HG21 VAL 51 -21.538 5.639 -4.326 346 HG22 VAL 51 HG22 VAL 51 -21.701 4.623 -2.895 347 HG23 VAL 51 HG23 VAL 51 -20.635 6.029 -2.862 348 H ARG 52 HN ARG 52 -20.725 5.554 -0.141 349 HA ARG 52 HA ARG 52 -19.385 8.158 0.148 350 HB2 ARG 52 HB2 ARG 52 -20.316 7.001 2.289 351 HB3 ARG 52 HB1 ARG 52 -18.990 5.877 2.058 352 HG2 ARG 52 HG2 ARG 52 -18.205 7.452 3.607 353 HG3 ARG 52 HG1 ARG 52 -17.456 7.898 2.075 354 HD2 ARG 52 HD2 ARG 52 -20.037 9.144 2.963 355 HD3 ARG 52 HD1 ARG 52 -18.494 9.754 3.535 356 HE ARG 52 HE ARG 52 -17.923 10.099 1.134 357 HH11 ARG 52 HH11 ARG 52 -21.326 9.879 2.009 358 HH12 ARG 52 HH12 ARG 52 -21.839 10.994 0.802 359 HH21 ARG 52 HH21 ARG 52 -18.623 11.573 -0.499 360 HH22 ARG 52 HH22 ARG 52 -20.304 11.945 -0.645 361 H ILE 53 HN ILE 53 -17.612 8.177 -1.051 362 HA ILE 53 HA ILE 53 -16.326 5.614 -1.678 363 HB ILE 53 HB ILE 53 -16.009 8.252 -3.150 364 HG12 ILE 53 HG12 ILE 53 -17.215 6.819 -5.002 365 HG13 ILE 53 HG11 ILE 53 -17.841 5.922 -3.622 366 HG21 ILE 53 HG21 ILE 53 -15.081 5.472 -3.852 367 HG22 ILE 53 HG22 ILE 53 -14.064 6.808 -3.321 368 HG23 ILE 53 HG23 ILE 53 -14.898 6.898 -4.873 369 HD11 ILE 53 HD11 ILE 53 -18.815 7.983 -2.736 370 HD12 ILE 53 HD12 ILE 53 -19.410 7.623 -4.357 371 HD13 ILE 53 HD13 ILE 53 -18.185 8.870 -4.122 372 H THR 54 HN THR 54 -14.598 5.239 -0.470 373 HA THR 54 HA THR 54 -13.017 7.573 0.316 374 HB THR 54 HB THR 54 -13.315 4.967 1.821 375 HG1 THR 54 HG1 THR 54 -14.576 7.482 2.008 376 HG21 THR 54 HG21 THR 54 -11.960 7.569 2.585 377 HG22 THR 54 HG22 THR 54 -11.134 6.066 2.173 378 HG23 THR 54 HG23 THR 54 -12.127 6.154 3.624 379 H VAL 55 HN VAL 55 -11.646 7.515 -1.368 380 HA VAL 55 HA VAL 55 -9.798 5.239 -1.462 381 HB VAL 55 HB VAL 55 -9.337 5.919 -3.882 382 HG11 VAL 55 HG11 VAL 55 -11.285 4.721 -4.762 383 HG12 VAL 55 HG12 VAL 55 -12.100 4.908 -3.210 384 HG13 VAL 55 HG13 VAL 55 -10.635 3.936 -3.325 385 HG21 VAL 55 HG21 VAL 55 -11.927 7.438 -3.510 386 HG22 VAL 55 HG22 VAL 55 -11.121 7.150 -5.050 387 HG23 VAL 55 HG23 VAL 55 -10.346 8.150 -3.822 388 HA PRO 56 HA PRO 56 -7.411 8.946 -0.152 389 HB2 PRO 56 HB2 PRO 56 -5.798 7.669 1.595 390 HB3 PRO 56 HB1 PRO 56 -7.440 8.170 2.019 391 HG2 PRO 56 HG2 PRO 56 -6.452 5.472 1.175 392 HG3 PRO 56 HG1 PRO 56 -7.556 5.895 2.494 393 HD2 PRO 56 HD2 PRO 56 -8.427 4.986 0.085 394 HD3 PRO 56 HD1 PRO 56 -9.363 6.120 1.078 395 H GLY 57 HN GLY 57 -5.461 9.627 -0.892 396 HA2 GLY 57 HA2 GLY 57 -3.839 7.624 -2.315 397 HA3 GLY 57 HA1 GLY 57 -4.042 9.284 -2.860 398 H ASN 58 HN ASN 58 -1.821 9.714 -2.825 399 HA ASN 58 HA ASN 58 -0.432 9.392 -0.295 400 HB2 ASN 58 HB2 ASN 58 0.788 8.826 -2.334 401 HB3 ASN 58 HB1 ASN 58 0.552 10.456 -2.950 402 HD21 ASN 58 HD21 ASN 58 2.775 10.752 -3.132 403 HD22 ASN 58 HD22 ASN 58 3.777 11.026 -1.750 404 H ASP 59 HN ASP 59 -1.407 10.827 1.043 405 HA ASP 59 HA ASP 59 -1.370 13.667 0.341 406 HB2 ASP 59 HB2 ASP 59 -3.391 12.777 1.427 407 HB3 ASP 59 HB1 ASP 59 -2.435 12.252 2.807 408 H GLY 60 HN GLY 60 0.646 11.420 1.645 409 HA2 GLY 60 HA2 GLY 60 2.708 13.095 2.336 410 HA3 GLY 60 HA1 GLY 60 1.799 12.846 3.825 411 H SER 61 HN SER 61 1.029 10.347 3.812 412 HA SER 61 HA SER 61 3.420 8.868 4.191 413 HB2 SER 61 HB2 SER 61 0.552 7.891 4.163 414 HB3 SER 61 HB1 SER 61 1.936 7.056 4.870 415 HG SER 61 HG SER 61 0.958 8.091 6.529 416 H GLU 62 HN GLU 62 4.522 7.926 2.604 417 HA GLU 62 HA GLU 62 3.552 7.713 -0.043 418 HB2 GLU 62 HB2 GLU 62 5.946 6.423 1.259 419 HB3 GLU 62 HB1 GLU 62 5.653 6.479 -0.470 420 HG2 GLU 62 HG2 GLU 62 5.791 8.914 -0.416 421 HG3 GLU 62 HG1 GLU 62 6.078 8.857 1.325 422 H THR 63 HN THR 63 2.361 6.178 -0.945 423 HA THR 63 HA THR 63 1.694 3.810 0.563 424 HB THR 63 HB THR 63 0.221 3.369 -1.478 425 HG1 THR 63 HG1 THR 63 1.074 4.615 -3.064 426 HG21 THR 63 HG21 THR 63 -0.166 5.963 0.030 427 HG22 THR 63 HG22 THR 63 -0.657 4.361 0.586 428 HG23 THR 63 HG23 THR 63 -1.422 5.075 -0.835 429 H ASN 64 HN ASN 64 1.722 1.664 -0.587 430 HA ASN 64 HA ASN 64 4.347 1.318 -1.710 431 HB2 ASN 64 HB2 ASN 64 3.419 -0.322 -0.100 432 HB3 ASN 64 HB1 ASN 64 2.182 -0.752 -1.276 433 HD21 ASN 64 HD21 ASN 64 2.694 -2.077 -2.959 434 HD22 ASN 64 HD22 ASN 64 4.214 -2.888 -3.103 435 H LEU 65 HN LEU 65 4.216 2.449 -3.582 436 HA LEU 65 HA LEU 65 4.046 2.790 -5.784 437 HB2 LEU 65 HB2 LEU 65 3.459 -0.159 -5.957 438 HB3 LEU 65 HB1 LEU 65 4.046 0.867 -7.251 439 HG LEU 65 HG LEU 65 5.535 0.128 -4.740 440 HD11 LEU 65 HD11 LEU 65 5.395 -1.684 -6.346 441 HD12 LEU 65 HD12 LEU 65 7.042 -1.049 -6.249 442 HD13 LEU 65 HD13 LEU 65 6.009 -0.624 -7.617 443 HD21 LEU 65 HD21 LEU 65 6.074 2.403 -5.377 444 HD22 LEU 65 HD22 LEU 65 6.379 1.894 -7.040 445 HD23 LEU 65 HD23 LEU 65 7.430 1.335 -5.739 446 H GLY 66 HN GLY 66 1.629 0.216 -5.923 447 HA2 GLY 66 HA2 GLY 66 -0.672 0.368 -6.244 448 HA3 GLY 66 HA1 GLY 66 -0.543 2.121 -6.147 449 H VAL 67 HN VAL 67 0.849 3.001 -8.059 450 HA VAL 67 HA VAL 67 -0.437 2.017 -10.477 451 HB VAL 67 HB VAL 67 0.493 4.103 -11.540 452 HG11 VAL 67 HG11 VAL 67 -1.239 4.486 -9.099 453 HG12 VAL 67 HG12 VAL 67 -1.792 4.039 -10.716 454 HG13 VAL 67 HG13 VAL 67 -1.086 5.631 -10.433 455 HG21 VAL 67 HG21 VAL 67 1.344 5.884 -10.084 456 HG22 VAL 67 HG22 VAL 67 2.389 4.463 -10.032 457 HG23 VAL 67 HG23 VAL 67 1.278 4.790 -8.702 458 H ILE 68 HN ILE 68 0.613 1.000 -12.069 459 HA ILE 68 HA ILE 68 3.408 0.357 -11.604 460 HB ILE 68 HB ILE 68 1.470 -0.710 -13.681 461 HG12 ILE 68 HG12 ILE 68 2.564 -2.045 -11.191 462 HG13 ILE 68 HG11 ILE 68 0.968 -1.311 -11.302 463 HG21 ILE 68 HG21 ILE 68 3.790 -0.817 -14.462 464 HG22 ILE 68 HG22 ILE 68 3.157 -2.427 -14.131 465 HG23 ILE 68 HG23 ILE 68 4.252 -1.661 -12.984 466 HD11 ILE 68 HD11 ILE 68 0.378 -2.923 -13.068 467 HD12 ILE 68 HD12 ILE 68 0.812 -3.708 -11.553 468 HD13 ILE 68 HD13 ILE 68 1.962 -3.677 -12.889 469 H THR 69 HN THR 69 4.899 1.629 -12.477 470 HA THR 69 HA THR 69 4.181 3.251 -14.774 471 HB THR 69 HB THR 69 5.125 4.563 -13.036 472 HG1 THR 69 HG1 THR 69 6.668 5.568 -14.168 473 HG21 THR 69 HG21 THR 69 7.473 2.656 -12.984 474 HG22 THR 69 HG22 THR 69 6.231 2.814 -11.741 475 HG23 THR 69 HG23 THR 69 7.343 4.146 -12.048 476 H ASN 70 HN ASN 70 4.331 2.028 -16.535 477 HA ASN 70 HA ASN 70 6.796 0.546 -17.004 478 HB2 ASN 70 HB2 ASN 70 5.551 -0.501 -18.905 479 HB3 ASN 70 HB1 ASN 70 4.848 -0.814 -17.326 480 HD21 ASN 70 HD21 ASN 70 3.656 -0.919 -19.982 481 HD22 ASN 70 HD22 ASN 70 2.302 0.155 -19.946 Start of MODEL 20 1 H MET 1 HT1 MET 1 1.980 -9.060 -10.266 2 HA MET 1 HA MET 1 1.464 -9.796 -8.087 3 HB2 MET 1 HB2 MET 1 3.450 -7.514 -8.142 4 HB3 MET 1 HB1 MET 1 3.306 -8.664 -6.819 5 HG2 MET 1 HG2 MET 1 4.017 -9.328 -9.667 6 HG3 MET 1 HG1 MET 1 5.138 -9.245 -8.305 7 HE1 MET 1 HE1 MET 1 4.083 -12.293 -6.135 8 HE2 MET 1 HE2 MET 1 3.564 -10.621 -5.939 9 HE3 MET 1 HE3 MET 1 5.238 -10.981 -6.359 10 H GLY 2 HN GLY 2 1.074 -6.265 -8.395 11 HA2 GLY 2 HA2 GLY 2 0.027 -6.049 -5.716 12 HA3 GLY 2 HA1 GLY 2 0.121 -4.763 -6.912 13 H LYS 3 HN LYS 3 -1.791 -7.259 -5.541 14 HA LYS 3 HA LYS 3 -3.882 -7.325 -7.458 15 HB2 LYS 3 HB2 LYS 3 -3.946 -7.990 -4.514 16 HB3 LYS 3 HB1 LYS 3 -5.186 -8.414 -5.684 17 HG2 LYS 3 HG2 LYS 3 -3.542 -9.809 -6.872 18 HG3 LYS 3 HG1 LYS 3 -2.353 -9.426 -5.620 19 HD2 LYS 3 HD2 LYS 3 -3.881 -10.391 -3.926 20 HD3 LYS 3 HD1 LYS 3 -4.997 -10.836 -5.217 21 HE2 LYS 3 HE2 LYS 3 -3.728 -12.776 -4.660 22 HE3 LYS 3 HE1 LYS 3 -3.171 -12.198 -6.230 23 HZ1 LYS 3 HZ1 LYS 3 -1.347 -12.835 -4.764 24 HZ2 LYS 3 HZ2 LYS 3 -1.814 -11.661 -3.637 25 HZ3 LYS 3 HZ3 LYS 3 -1.258 -11.198 -5.163 26 H ALA 4 HN ALA 4 -5.841 -6.250 -7.505 27 HA ALA 4 HA ALA 4 -5.947 -3.759 -6.006 28 HB1 ALA 4 HB1 ALA 4 -7.782 -4.802 -8.161 29 HB2 ALA 4 HB2 ALA 4 -6.416 -3.715 -8.412 30 HB3 ALA 4 HB3 ALA 4 -7.805 -3.177 -7.476 31 H TYR 5 HN TYR 5 -6.604 -4.140 -3.953 32 HA TYR 5 HA TYR 5 -8.939 -5.861 -3.576 33 HB2 TYR 5 HB2 TYR 5 -7.023 -6.470 -2.188 34 HB3 TYR 5 HB1 TYR 5 -6.940 -4.829 -1.552 35 HD1 TYR 5 HD1 TYR 5 -9.207 -7.791 -1.732 36 HD2 TYR 5 HD2 TYR 5 -8.092 -4.290 0.415 37 HE1 TYR 5 HE1 TYR 5 -10.730 -8.431 0.094 38 HE2 TYR 5 HE2 TYR 5 -9.607 -4.922 2.248 39 HH TYR 5 HH TYR 5 -11.594 -6.278 2.626 40 H TYR 6 HN TYR 6 -10.807 -4.971 -3.371 41 HA TYR 6 HA TYR 6 -11.007 -2.251 -2.304 42 HB2 TYR 6 HB2 TYR 6 -12.811 -3.853 -4.112 43 HB3 TYR 6 HB1 TYR 6 -13.361 -2.402 -3.289 44 HD1 TYR 6 HD1 TYR 6 -10.857 -3.669 -5.717 45 HD2 TYR 6 HD2 TYR 6 -12.891 -0.279 -4.153 46 HE1 TYR 6 HE1 TYR 6 -9.944 -2.288 -7.536 47 HE2 TYR 6 HE2 TYR 6 -11.985 1.111 -5.964 48 HH TYR 6 HH TYR 6 -10.486 -0.189 -8.704 49 H ASP 7 HN ASP 7 -11.580 -2.171 -0.260 50 HA ASP 7 HA ASP 7 -12.788 -4.537 0.876 51 HB2 ASP 7 HB2 ASP 7 -10.775 -3.403 1.938 52 HB3 ASP 7 HB1 ASP 7 -11.859 -2.084 2.366 53 H ILE 8 HN ILE 8 -14.889 -4.624 0.774 54 HA ILE 8 HA ILE 8 -16.394 -2.133 0.787 55 HB ILE 8 HB ILE 8 -18.272 -3.326 -0.173 56 HG12 ILE 8 HG12 ILE 8 -17.755 -5.572 0.931 57 HG13 ILE 8 HG11 ILE 8 -18.307 -5.645 -0.733 58 HG21 ILE 8 HG21 ILE 8 -15.709 -3.865 -1.652 59 HG22 ILE 8 HG22 ILE 8 -16.654 -2.378 -1.684 60 HG23 ILE 8 HG23 ILE 8 -17.325 -3.866 -2.361 61 HD11 ILE 8 HD11 ILE 8 -15.929 -5.905 -1.430 62 HD12 ILE 8 HD12 ILE 8 -16.552 -7.225 -0.452 63 HD13 ILE 8 HD13 ILE 8 -15.492 -6.022 0.273 64 H VAL 9 HN VAL 9 -18.031 -1.713 2.120 65 HA VAL 9 HA VAL 9 -18.377 -3.539 4.391 66 HB VAL 9 HB VAL 9 -19.077 -1.521 5.712 67 HG11 VAL 9 HG11 VAL 9 -16.818 -0.658 6.075 68 HG12 VAL 9 HG12 VAL 9 -16.292 -1.415 4.568 69 HG13 VAL 9 HG13 VAL 9 -16.822 -2.413 5.917 70 HG21 VAL 9 HG21 VAL 9 -19.674 -0.094 3.769 71 HG22 VAL 9 HG22 VAL 9 -17.952 0.051 3.398 72 HG23 VAL 9 HG23 VAL 9 -18.585 0.704 4.909 73 H GLY 10 HN GLY 10 -20.431 -4.129 4.960 74 HA2 GLY 10 HA2 GLY 10 -22.452 -3.298 2.986 75 HA3 GLY 10 HA1 GLY 10 -22.346 -4.915 3.661 76 H SER 11 HN SER 11 -23.926 -2.054 3.761 77 HA SER 11 HA SER 11 -25.407 -2.875 6.101 78 HB2 SER 11 HB2 SER 11 -23.830 -1.319 7.095 79 HB3 SER 11 HB1 SER 11 -24.128 -0.140 5.824 80 HG SER 11 HG SER 11 -25.391 -0.395 8.124 81 H ASP 12 HN ASP 12 -27.540 -2.471 5.846 82 HA ASP 12 HA ASP 12 -28.502 -1.689 3.308 83 HB2 ASP 12 HB2 ASP 12 -30.738 -1.975 4.302 84 HB3 ASP 12 HB1 ASP 12 -29.688 -3.354 4.597 85 H ASN 13 HN ASN 13 -27.406 0.190 5.786 86 HA ASN 13 HA ASN 13 -29.101 2.409 4.834 87 HB2 ASN 13 HB2 ASN 13 -29.338 1.663 7.290 88 HB3 ASN 13 HB1 ASN 13 -27.738 2.349 7.512 89 HD21 ASN 13 HD21 ASN 13 -28.265 4.580 5.606 90 HD22 ASN 13 HD22 ASN 13 -29.313 5.663 6.454 91 H ARG 14 HN ARG 14 -25.883 1.269 5.666 92 HA ARG 14 HA ARG 14 -24.783 3.727 4.471 93 HB2 ARG 14 HB2 ARG 14 -23.423 2.228 6.704 94 HB3 ARG 14 HB1 ARG 14 -23.015 3.813 6.063 95 HG2 ARG 14 HG2 ARG 14 -25.470 3.119 7.651 96 HG3 ARG 14 HG1 ARG 14 -24.053 3.992 8.235 97 HD2 ARG 14 HD2 ARG 14 -25.740 4.933 5.937 98 HD3 ARG 14 HD1 ARG 14 -26.043 5.405 7.603 99 HE ARG 14 HE ARG 14 -23.787 6.213 5.922 100 HH11 ARG 14 HH11 ARG 14 -25.348 6.238 9.073 101 HH12 ARG 14 HH12 ARG 14 -24.592 7.702 9.585 102 HH21 ARG 14 HH21 ARG 14 -22.834 8.185 6.576 103 HH22 ARG 14 HH22 ARG 14 -23.133 8.809 8.171 104 H TRP 15 HN TRP 15 -24.353 2.806 2.496 105 HA TRP 15 HA TRP 15 -22.605 0.455 2.520 106 HB2 TRP 15 HB2 TRP 15 -24.622 0.162 1.175 107 HB3 TRP 15 HB1 TRP 15 -24.299 1.650 0.299 108 HD1 TRP 15 HD1 TRP 15 -22.883 -1.922 0.686 109 HE1 TRP 15 HE1 TRP 15 -21.528 -2.491 -1.422 110 HE3 TRP 15 HE3 TRP 15 -23.112 2.610 -1.666 111 HZ2 TRP 15 HZ2 TRP 15 -20.669 -1.191 -3.770 112 HZ3 TRP 15 HZ3 TRP 15 -22.002 2.860 -3.839 113 HH2 TRP 15 HH2 TRP 15 -20.802 1.003 -4.869 114 H GLY 16 HN GLY 16 -20.523 0.631 1.899 115 HA2 GLY 16 HA2 GLY 16 -19.713 3.154 0.655 116 HA3 GLY 16 HA1 GLY 16 -19.014 2.708 2.197 117 H ILE 17 HN ILE 17 -17.787 3.138 -0.471 118 HA ILE 17 HA ILE 17 -16.545 0.498 -0.911 119 HB ILE 17 HB ILE 17 -16.143 2.924 -2.678 120 HG12 ILE 17 HG12 ILE 17 -17.837 1.465 -4.189 121 HG13 ILE 17 HG11 ILE 17 -18.467 1.052 -2.599 122 HG21 ILE 17 HG21 ILE 17 -15.587 1.208 -4.375 123 HG22 ILE 17 HG22 ILE 17 -15.800 -0.040 -3.146 124 HG23 ILE 17 HG23 ILE 17 -14.529 1.173 -2.965 125 HD11 ILE 17 HD11 ILE 17 -18.759 3.437 -2.112 126 HD12 ILE 17 HD12 ILE 17 -19.676 2.917 -3.524 127 HD13 ILE 17 HD13 ILE 17 -18.183 3.824 -3.730 128 H ARG 18 HN ARG 18 -14.620 0.241 0.108 129 HA ARG 18 HA ARG 18 -13.000 2.667 0.501 130 HB2 ARG 18 HB2 ARG 18 -13.852 1.524 2.587 131 HB3 ARG 18 HB1 ARG 18 -12.835 0.154 2.158 132 HG2 ARG 18 HG2 ARG 18 -10.860 1.618 2.226 133 HG3 ARG 18 HG1 ARG 18 -11.895 2.954 2.735 134 HD2 ARG 18 HD2 ARG 18 -10.838 2.018 4.673 135 HD3 ARG 18 HD1 ARG 18 -12.554 1.613 4.716 136 HE ARG 18 HE ARG 18 -12.030 -0.611 4.455 137 HH11 ARG 18 HH11 ARG 18 -9.152 1.330 3.863 138 HH12 ARG 18 HH12 ARG 18 -8.082 -0.028 3.917 139 HH21 ARG 18 HH21 ARG 18 -10.595 -2.398 4.522 140 HH22 ARG 18 HH22 ARG 18 -8.892 -2.128 4.257 141 H HIS 19 HN HIS 19 -11.401 2.747 -0.866 142 HA HIS 19 HA HIS 19 -10.250 0.345 -2.037 143 HB2 HIS 19 HB2 HIS 19 -10.609 2.436 -3.382 144 HB3 HIS 19 HB1 HIS 19 -9.442 3.257 -2.357 145 HD1 HIS 19 HD1 HIS 19 -9.654 1.670 -5.538 146 HD2 HIS 19 HD2 HIS 19 -6.765 1.760 -2.548 147 HE1 HIS 19 HE1 HIS 19 -7.512 1.019 -6.655 148 H ASP 20 HN ASP 20 -9.038 -0.823 -0.713 149 HA ASP 20 HA ASP 20 -7.435 0.375 1.321 150 HB2 ASP 20 HB2 ASP 20 -8.408 -2.068 1.192 151 HB3 ASP 20 HB1 ASP 20 -6.919 -2.403 0.310 152 H ASP 21 HN ASP 21 -5.268 0.778 1.309 153 HA ASP 21 HA ASP 21 -4.210 1.077 -1.381 154 HB2 ASP 21 HB2 ASP 21 -2.825 2.835 -0.510 155 HB3 ASP 21 HB1 ASP 21 -4.507 3.056 -0.015 156 H ASP 22 HN ASP 22 -3.830 -1.133 1.036 157 HA ASP 22 HA ASP 22 -1.257 -1.881 -0.110 158 HB2 ASP 22 HB2 ASP 22 -0.275 -2.459 2.083 159 HB3 ASP 22 HB1 ASP 22 -0.621 -0.742 1.966 160 HA PRO 23 HA PRO 23 -2.981 -5.869 -0.513 161 HB2 PRO 23 HB2 PRO 23 -0.780 -7.442 0.138 162 HB3 PRO 23 HB1 PRO 23 -1.085 -6.729 -1.452 163 HG2 PRO 23 HG2 PRO 23 0.679 -5.752 0.759 164 HG3 PRO 23 HG1 PRO 23 0.961 -5.744 -0.993 165 HD2 PRO 23 HD2 PRO 23 0.236 -3.521 0.310 166 HD3 PRO 23 HD1 PRO 23 -0.371 -3.871 -1.324 167 H THR 24 HN THR 24 -4.386 -6.695 0.888 168 HA THR 24 HA THR 24 -3.935 -6.629 3.703 169 HB THR 24 HB THR 24 -6.242 -7.643 3.769 170 HG1 THR 24 HG1 THR 24 -6.864 -8.611 1.980 171 HG21 THR 24 HG21 THR 24 -7.372 -5.674 2.871 172 HG22 THR 24 HG22 THR 24 -5.914 -5.236 1.978 173 HG23 THR 24 HG23 THR 24 -5.910 -5.212 3.740 174 H GLY 25 HN GLY 25 -3.328 -8.809 1.189 175 HA2 GLY 25 HA2 GLY 25 -2.273 -10.864 1.279 176 HA3 GLY 25 HA1 GLY 25 -2.439 -10.844 3.033 177 H ASP 26 HN ASP 26 -4.866 -10.825 3.666 178 HA ASP 26 HA ASP 26 -6.001 -13.267 2.646 179 HB2 ASP 26 HB2 ASP 26 -6.642 -11.386 4.878 180 HB3 ASP 26 HB1 ASP 26 -7.821 -12.599 4.388 181 H TYR 27 HN TYR 27 -7.623 -13.439 1.275 182 HA TYR 27 HA TYR 27 -9.586 -11.372 0.933 183 HB2 TYR 27 HB2 TYR 27 -9.255 -11.057 -1.465 184 HB3 TYR 27 HB1 TYR 27 -7.788 -10.609 -0.613 185 HD1 TYR 27 HD1 TYR 27 -9.188 -12.584 -3.234 186 HD2 TYR 27 HD2 TYR 27 -5.880 -12.362 -0.563 187 HE1 TYR 27 HE1 TYR 27 -7.902 -14.081 -4.706 188 HE2 TYR 27 HE2 TYR 27 -4.591 -13.853 -2.028 189 HH TYR 27 HH TYR 27 -5.067 -15.607 -3.760 190 H SER 28 HN SER 28 -11.528 -12.314 0.447 191 HA SER 28 HA SER 28 -11.739 -15.123 0.475 192 HB2 SER 28 HB2 SER 28 -13.808 -13.144 -0.516 193 HB3 SER 28 HB1 SER 28 -14.101 -14.771 0.097 194 HG SER 28 HG SER 28 -12.970 -13.862 2.088 195 H SER 29 HN SER 29 -11.869 -12.747 -2.134 196 HA SER 29 HA SER 29 -10.688 -14.236 -4.118 197 HB2 SER 29 HB2 SER 29 -12.715 -15.719 -3.913 198 HB3 SER 29 HB1 SER 29 -13.712 -14.341 -4.374 199 HG SER 29 HG SER 29 -12.874 -15.968 -6.034 200 H LYS 30 HN LYS 30 -10.498 -12.974 -6.014 201 HA LYS 30 HA LYS 30 -10.966 -10.194 -5.708 202 HB2 LYS 30 HB2 LYS 30 -9.153 -11.154 -7.104 203 HB3 LYS 30 HB1 LYS 30 -10.372 -11.709 -8.249 204 HG2 LYS 30 HG2 LYS 30 -11.055 -9.413 -8.660 205 HG3 LYS 30 HG1 LYS 30 -9.862 -8.841 -7.494 206 HD2 LYS 30 HD2 LYS 30 -8.088 -9.794 -8.875 207 HD3 LYS 30 HD1 LYS 30 -9.299 -10.336 -10.039 208 HE2 LYS 30 HE2 LYS 30 -9.972 -8.022 -10.424 209 HE3 LYS 30 HE1 LYS 30 -8.777 -7.482 -9.248 210 HZ1 LYS 30 HZ1 LYS 30 -8.131 -8.957 -11.733 211 HZ2 LYS 30 HZ2 LYS 30 -7.029 -8.256 -10.651 212 HZ3 LYS 30 HZ3 LYS 30 -8.053 -7.281 -11.571 213 H GLU 31 HN GLU 31 -12.585 -12.693 -7.635 214 HA GLU 31 HA GLU 31 -14.423 -10.961 -8.860 215 HB2 GLU 31 HB2 GLU 31 -15.624 -12.935 -9.494 216 HB3 GLU 31 HB1 GLU 31 -13.898 -13.221 -9.707 217 HG2 GLU 31 HG2 GLU 31 -13.986 -14.314 -7.404 218 HG3 GLU 31 HG1 GLU 31 -15.741 -14.255 -7.602 219 H ALA 32 HN ALA 32 -14.437 -12.760 -5.846 220 HA ALA 32 HA ALA 32 -17.161 -12.438 -5.231 221 HB1 ALA 32 HB1 ALA 32 -16.525 -12.855 -2.921 222 HB2 ALA 32 HB2 ALA 32 -14.831 -12.628 -3.344 223 HB3 ALA 32 HB3 ALA 32 -15.734 -13.995 -4.015 224 H ALA 33 HN ALA 33 -14.357 -10.402 -4.703 225 HA ALA 33 HA ALA 33 -15.679 -8.537 -3.041 226 HB1 ALA 33 HB1 ALA 33 -13.217 -8.157 -4.754 227 HB2 ALA 33 HB2 ALA 33 -13.237 -8.756 -3.093 228 HB3 ALA 33 HB3 ALA 33 -13.747 -7.101 -3.441 229 H PHE 34 HN PHE 34 -14.808 -8.457 -6.524 230 HA PHE 34 HA PHE 34 -16.193 -6.028 -6.973 231 HB2 PHE 34 HB2 PHE 34 -15.266 -8.164 -8.887 232 HB3 PHE 34 HB1 PHE 34 -16.043 -6.670 -9.408 233 HD1 PHE 34 HD1 PHE 34 -12.998 -8.224 -8.728 234 HD2 PHE 34 HD2 PHE 34 -15.026 -4.500 -8.400 235 HE1 PHE 34 HE1 PHE 34 -10.834 -7.079 -8.591 236 HE2 PHE 34 HE2 PHE 34 -12.842 -3.334 -8.271 237 HZ PHE 34 HZ PHE 34 -10.742 -4.647 -8.360 238 H GLU 35 HN GLU 35 -17.189 -9.390 -7.343 239 HA GLU 35 HA GLU 35 -19.614 -8.993 -8.608 240 HB2 GLU 35 HB2 GLU 35 -18.659 -11.203 -8.337 241 HB3 GLU 35 HB1 GLU 35 -18.825 -11.094 -6.597 242 HG2 GLU 35 HG2 GLU 35 -20.592 -12.470 -7.409 243 HG3 GLU 35 HG1 GLU 35 -21.275 -10.928 -6.879 244 H ALA 36 HN ALA 36 -18.935 -9.339 -5.148 245 HA ALA 36 HA ALA 36 -21.588 -8.817 -4.320 246 HB1 ALA 36 HB1 ALA 36 -19.041 -8.495 -2.752 247 HB2 ALA 36 HB2 ALA 36 -19.997 -9.974 -2.902 248 HB3 ALA 36 HB3 ALA 36 -20.679 -8.558 -2.095 249 H ALA 37 HN ALA 37 -18.757 -6.755 -4.708 250 HA ALA 37 HA ALA 37 -19.775 -4.455 -3.530 251 HB1 ALA 37 HB1 ALA 37 -17.410 -4.845 -4.186 252 HB2 ALA 37 HB2 ALA 37 -18.040 -3.267 -4.672 253 HB3 ALA 37 HB3 ALA 37 -17.874 -4.561 -5.864 254 H CYS 38 HN CYS 38 -19.834 -5.445 -6.959 255 HA CYS 38 HA CYS 38 -21.288 -3.176 -7.753 256 HB2 CYS 38 HB2 CYS 38 -21.600 -4.252 -9.878 257 HB3 CYS 38 HB1 CYS 38 -19.947 -4.480 -9.302 258 HG CYS 38 HG CYS 38 -21.150 -7.154 -8.237 259 H ALA 39 HN ALA 39 -22.248 -6.409 -6.720 260 HA ALA 39 HA ALA 39 -24.962 -6.301 -7.406 261 HB1 ALA 39 HB1 ALA 39 -23.641 -7.766 -5.127 262 HB2 ALA 39 HB2 ALA 39 -23.841 -8.370 -6.772 263 HB3 ALA 39 HB3 ALA 39 -25.258 -8.087 -5.757 264 H ALA 40 HN ALA 40 -23.297 -5.543 -4.387 265 HA ALA 40 HA ALA 40 -25.565 -4.623 -2.999 266 HB1 ALA 40 HB1 ALA 40 -23.998 -3.682 -1.409 267 HB2 ALA 40 HB2 ALA 40 -22.683 -3.847 -2.574 268 HB3 ALA 40 HB3 ALA 40 -23.456 -5.285 -1.910 269 H ALA 41 HN ALA 41 -23.229 -3.010 -5.091 270 HA ALA 41 HA ALA 41 -23.918 -0.350 -4.561 271 HB1 ALA 41 HB1 ALA 41 -22.979 -1.475 -7.194 272 HB2 ALA 41 HB2 ALA 41 -21.929 -1.069 -5.841 273 HB3 ALA 41 HB3 ALA 41 -22.850 0.201 -6.651 274 H SER 42 HN SER 42 -25.233 -2.620 -6.939 275 HA SER 42 HA SER 42 -26.861 -0.782 -8.233 276 HB2 SER 42 HB2 SER 42 -27.305 -3.744 -7.862 277 HB3 SER 42 HB1 SER 42 -28.135 -2.719 -9.034 278 HG SER 42 HG SER 42 -25.370 -3.380 -8.932 279 H ASN 43 HN ASN 43 -27.594 -3.050 -5.597 280 HA ASN 43 HA ASN 43 -30.261 -2.267 -5.161 281 HB2 ASN 43 HB2 ASN 43 -29.700 -4.348 -4.351 282 HB3 ASN 43 HB1 ASN 43 -28.238 -3.785 -3.545 283 HD21 ASN 43 HD21 ASN 43 -28.388 -3.016 -1.450 284 HD22 ASN 43 HD22 ASN 43 -29.831 -3.093 -0.511 285 H ALA 44 HN ALA 44 -27.248 -1.165 -3.650 286 HA ALA 44 HA ALA 44 -28.410 0.347 -1.603 287 HB1 ALA 44 HB1 ALA 44 -26.254 1.528 -1.517 288 HB2 ALA 44 HB2 ALA 44 -25.796 0.784 -3.042 289 HB3 ALA 44 HB3 ALA 44 -26.054 -0.219 -1.616 290 H ILE 45 HN ILE 45 -27.275 1.379 -4.792 291 HA ILE 45 HA ILE 45 -28.130 4.050 -4.523 292 HB ILE 45 HB ILE 45 -27.536 2.390 -6.973 293 HG12 ILE 45 HG12 ILE 45 -25.612 2.780 -5.525 294 HG13 ILE 45 HG11 ILE 45 -25.443 3.695 -7.021 295 HG21 ILE 45 HG21 ILE 45 -27.427 4.512 -8.232 296 HG22 ILE 45 HG22 ILE 45 -28.024 5.371 -6.807 297 HG23 ILE 45 HG23 ILE 45 -29.050 4.194 -7.618 298 HD11 ILE 45 HD11 ILE 45 -24.722 5.009 -5.114 299 HD12 ILE 45 HD12 ILE 45 -26.290 4.795 -4.343 300 HD13 ILE 45 HD13 ILE 45 -26.163 5.722 -5.838 301 H LYS 46 HN LYS 46 -29.625 1.181 -5.871 302 HA LYS 46 HA LYS 46 -31.890 2.286 -7.054 303 HB2 LYS 46 HB2 LYS 46 -31.144 -0.054 -7.316 304 HB3 LYS 46 HB1 LYS 46 -31.626 -0.383 -5.664 305 HG2 LYS 46 HG2 LYS 46 -33.945 0.097 -6.242 306 HG3 LYS 46 HG1 LYS 46 -33.456 0.433 -7.904 307 HD2 LYS 46 HD2 LYS 46 -32.626 -1.862 -8.122 308 HD3 LYS 46 HD1 LYS 46 -33.114 -2.199 -6.459 309 HE2 LYS 46 HE2 LYS 46 -34.762 -3.042 -8.038 310 HE3 LYS 46 HE1 LYS 46 -35.446 -1.739 -7.056 311 HZ1 LYS 46 HZ1 LYS 46 -36.036 -1.521 -9.378 312 HZ2 LYS 46 HZ2 LYS 46 -34.404 -1.473 -9.813 313 HZ3 LYS 46 HZ3 LYS 46 -35.064 -0.226 -8.887 314 H PHE 47 HN PHE 47 -31.286 1.313 -3.706 315 HA PHE 47 HA PHE 47 -34.023 1.842 -2.907 316 HB2 PHE 47 HB2 PHE 47 -32.539 -0.041 -2.002 317 HB3 PHE 47 HB1 PHE 47 -31.699 1.200 -1.090 318 HD1 PHE 47 HD1 PHE 47 -34.676 -0.853 -1.325 319 HD2 PHE 47 HD2 PHE 47 -32.904 2.452 0.695 320 HE1 PHE 47 HE1 PHE 47 -36.352 -1.052 0.469 321 HE2 PHE 47 HE2 PHE 47 -34.570 2.258 2.485 322 HZ PHE 47 HZ PHE 47 -36.292 0.502 2.379 323 H GLY 48 HN GLY 48 -31.127 3.640 -3.138 324 HA2 GLY 48 HA2 GLY 48 -30.902 5.941 -2.648 325 HA3 GLY 48 HA1 GLY 48 -32.341 5.851 -1.640 326 H HIS 49 HN HIS 49 -29.924 3.469 -1.315 327 HA HIS 49 HA HIS 49 -29.433 4.004 1.410 328 HB2 HIS 49 HB2 HIS 49 -28.016 2.322 -0.644 329 HB3 HIS 49 HB1 HIS 49 -27.488 2.395 1.037 330 HD2 HIS 49 HD2 HIS 49 -30.982 2.325 1.728 331 HE1 HIS 49 HE1 HIS 49 -30.221 -1.711 0.703 332 HE2 HIS 49 HE2 HIS 49 -31.712 -0.139 1.962 333 H GLU 50 HN GLU 50 -27.838 5.192 2.364 334 HA GLU 50 HA GLU 50 -26.563 7.188 0.903 335 HB2 GLU 50 HB2 GLU 50 -26.942 7.359 3.293 336 HB3 GLU 50 HB1 GLU 50 -25.787 6.065 3.591 337 HG2 GLU 50 HG2 GLU 50 -24.044 7.480 2.484 338 HG3 GLU 50 HG1 GLU 50 -25.220 8.787 2.436 339 H VAL 51 HN VAL 51 -24.593 7.375 0.041 340 HA VAL 51 HA VAL 51 -23.061 4.904 -0.214 341 HB VAL 51 HB VAL 51 -23.976 5.620 -2.352 342 HG11 VAL 51 HG11 VAL 51 -23.367 7.779 -3.364 343 HG12 VAL 51 HG12 VAL 51 -22.613 8.260 -1.837 344 HG13 VAL 51 HG13 VAL 51 -24.350 7.957 -1.910 345 HG21 VAL 51 HG21 VAL 51 -21.915 5.854 -3.666 346 HG22 VAL 51 HG22 VAL 51 -21.757 4.628 -2.406 347 HG23 VAL 51 HG23 VAL 51 -21.019 6.215 -2.191 348 H ARG 52 HN ARG 52 -21.030 4.868 0.364 349 HA ARG 52 HA ARG 52 -19.738 7.401 1.107 350 HB2 ARG 52 HB2 ARG 52 -19.434 4.659 2.338 351 HB3 ARG 52 HB1 ARG 52 -18.424 6.041 2.744 352 HG2 ARG 52 HG2 ARG 52 -21.381 6.310 2.974 353 HG3 ARG 52 HG1 ARG 52 -20.513 5.391 4.201 354 HD2 ARG 52 HD2 ARG 52 -20.857 7.819 4.735 355 HD3 ARG 52 HD1 ARG 52 -19.190 7.269 4.806 356 HE ARG 52 HE ARG 52 -18.683 8.599 2.974 357 HH11 ARG 52 HH11 ARG 52 -22.160 8.573 3.389 358 HH12 ARG 52 HH12 ARG 52 -22.401 10.076 2.566 359 HH21 ARG 52 HH21 ARG 52 -19.002 10.585 1.873 360 HH22 ARG 52 HH22 ARG 52 -20.601 11.226 1.706 361 H ILE 53 HN ILE 53 -17.758 7.772 0.274 362 HA ILE 53 HA ILE 53 -16.636 5.676 -1.395 363 HB ILE 53 HB ILE 53 -15.872 7.499 -2.975 364 HG12 ILE 53 HG12 ILE 53 -16.475 9.396 -1.345 365 HG13 ILE 53 HG11 ILE 53 -16.879 9.637 -3.038 366 HG21 ILE 53 HG21 ILE 53 -17.564 5.964 -3.643 367 HG22 ILE 53 HG22 ILE 53 -18.005 7.571 -4.217 368 HG23 ILE 53 HG23 ILE 53 -18.807 6.888 -2.802 369 HD11 ILE 53 HD11 ILE 53 -18.649 10.421 -1.526 370 HD12 ILE 53 HD12 ILE 53 -18.817 8.790 -0.881 371 HD13 ILE 53 HD13 ILE 53 -19.212 9.116 -2.565 372 H THR 54 HN THR 54 -14.742 5.182 -0.681 373 HA THR 54 HA THR 54 -13.083 7.377 0.245 374 HB THR 54 HB THR 54 -12.097 5.529 1.835 375 HG1 THR 54 HG1 THR 54 -14.096 4.200 0.862 376 HG21 THR 54 HG21 THR 54 -13.014 7.656 2.594 377 HG22 THR 54 HG22 THR 54 -13.555 6.341 3.643 378 HG23 THR 54 HG23 THR 54 -14.651 7.018 2.442 379 H VAL 55 HN VAL 55 -11.966 7.507 -1.555 380 HA VAL 55 HA VAL 55 -10.068 5.326 -2.096 381 HB VAL 55 HB VAL 55 -11.298 7.073 -4.247 382 HG11 VAL 55 HG11 VAL 55 -9.063 6.328 -4.794 383 HG12 VAL 55 HG12 VAL 55 -10.236 5.468 -5.789 384 HG13 VAL 55 HG13 VAL 55 -9.494 4.664 -4.411 385 HG21 VAL 55 HG21 VAL 55 -13.006 5.585 -3.389 386 HG22 VAL 55 HG22 VAL 55 -11.924 4.204 -3.548 387 HG23 VAL 55 HG23 VAL 55 -12.496 5.041 -4.988 388 HA PRO 56 HA PRO 56 -7.587 9.133 -1.433 389 HB2 PRO 56 HB2 PRO 56 -5.641 7.407 -0.167 390 HB3 PRO 56 HB1 PRO 56 -6.637 8.663 0.573 391 HG2 PRO 56 HG2 PRO 56 -6.947 5.997 1.096 392 HG3 PRO 56 HG1 PRO 56 -8.257 7.180 1.230 393 HD2 PRO 56 HD2 PRO 56 -7.655 5.272 -1.004 394 HD3 PRO 56 HD1 PRO 56 -9.220 5.706 -0.276 395 H GLY 57 HN GLY 57 -5.281 9.584 -2.033 396 HA2 GLY 57 HA2 GLY 57 -4.556 8.142 -4.451 397 HA3 GLY 57 HA1 GLY 57 -3.790 9.604 -3.826 398 H ASN 58 HN ASN 58 -2.669 6.929 -4.714 399 HA ASN 58 HA ASN 58 -1.794 5.627 -2.339 400 HB2 ASN 58 HB2 ASN 58 -0.433 4.218 -3.720 401 HB3 ASN 58 HB1 ASN 58 -1.935 4.490 -4.593 402 HD21 ASN 58 HD21 ASN 58 -1.890 5.692 -6.479 403 HD22 ASN 58 HD22 ASN 58 -0.422 6.095 -7.296 404 H ASP 59 HN ASP 59 -0.333 6.217 -0.976 405 HA ASP 59 HA ASP 59 1.663 8.200 -1.771 406 HB2 ASP 59 HB2 ASP 59 2.046 8.514 0.636 407 HB3 ASP 59 HB1 ASP 59 0.345 8.725 0.232 408 H GLY 60 HN GLY 60 1.259 4.910 -0.826 409 HA2 GLY 60 HA2 GLY 60 4.151 4.554 -0.592 410 HA3 GLY 60 HA1 GLY 60 2.926 3.392 -0.100 411 H SER 61 HN SER 61 5.063 4.327 -2.528 412 HA SER 61 HA SER 61 3.745 3.073 -4.741 413 HB2 SER 61 HB2 SER 61 5.431 4.958 -4.893 414 HB3 SER 61 HB1 SER 61 6.676 3.778 -4.498 415 HG SER 61 HG SER 61 5.661 2.581 -6.385 416 H GLU 62 HN GLU 62 4.252 1.502 -2.262 417 HA GLU 62 HA GLU 62 6.128 -0.533 -3.154 418 HB2 GLU 62 HB2 GLU 62 4.597 -0.184 -0.574 419 HB3 GLU 62 HB1 GLU 62 5.675 -1.534 -0.901 420 HG2 GLU 62 HG2 GLU 62 7.545 0.006 -1.139 421 HG3 GLU 62 HG1 GLU 62 6.469 1.369 -0.837 422 H THR 63 HN THR 63 2.766 0.125 -3.005 423 HA THR 63 HA THR 63 1.994 -2.631 -3.438 424 HB THR 63 HB THR 63 0.279 -0.138 -3.668 425 HG1 THR 63 HG1 THR 63 -0.216 -0.462 -1.489 426 HG21 THR 63 HG21 THR 63 -0.371 -3.063 -3.259 427 HG22 THR 63 HG22 THR 63 -0.776 -2.070 -4.659 428 HG23 THR 63 HG23 THR 63 -1.544 -1.760 -3.104 429 H ASN 64 HN ASN 64 2.103 0.425 -5.223 430 HA ASN 64 HA ASN 64 1.742 -1.041 -7.718 431 HB2 ASN 64 HB2 ASN 64 1.334 1.216 -8.734 432 HB3 ASN 64 HB1 ASN 64 0.168 0.777 -7.495 433 HD21 ASN 64 HD21 ASN 64 0.896 3.406 -8.506 434 HD22 ASN 64 HD22 ASN 64 1.440 4.312 -7.133 435 H LEU 65 HN LEU 65 3.621 -1.744 -8.460 436 HA LEU 65 HA LEU 65 6.047 -0.178 -8.044 437 HB2 LEU 65 HB2 LEU 65 7.258 -2.112 -8.878 438 HB3 LEU 65 HB1 LEU 65 6.167 -2.564 -7.589 439 HG LEU 65 HG LEU 65 5.194 -2.896 -10.389 440 HD11 LEU 65 HD11 LEU 65 7.464 -3.753 -10.520 441 HD12 LEU 65 HD12 LEU 65 6.303 -5.072 -10.562 442 HD13 LEU 65 HD13 LEU 65 7.201 -4.733 -9.081 443 HD21 LEU 65 HD21 LEU 65 4.977 -4.601 -7.906 444 HD22 LEU 65 HD22 LEU 65 4.105 -4.841 -9.424 445 HD23 LEU 65 HD23 LEU 65 3.779 -3.425 -8.434 446 H GLY 66 HN GLY 66 3.701 -0.569 -10.432 447 HA2 GLY 66 HA2 GLY 66 4.942 1.202 -12.213 448 HA3 GLY 66 HA1 GLY 66 5.225 -0.439 -12.777 449 H VAL 67 HN VAL 67 3.065 2.148 -12.660 450 HA VAL 67 HA VAL 67 1.205 0.677 -14.305 451 HB VAL 67 HB VAL 67 0.199 0.220 -12.172 452 HG11 VAL 67 HG11 VAL 67 0.351 3.178 -11.587 453 HG12 VAL 67 HG12 VAL 67 1.323 1.914 -10.832 454 HG13 VAL 67 HG13 VAL 67 -0.418 1.962 -10.563 455 HG21 VAL 67 HG21 VAL 67 -1.382 0.766 -13.909 456 HG22 VAL 67 HG22 VAL 67 -1.239 2.485 -13.545 457 HG23 VAL 67 HG23 VAL 67 -1.968 1.390 -12.368 458 H ILE 68 HN ILE 68 0.893 1.926 -16.010 459 HA ILE 68 HA ILE 68 1.225 4.800 -15.794 460 HB ILE 68 HB ILE 68 0.532 3.053 -18.179 461 HG12 ILE 68 HG12 ILE 68 3.122 4.493 -17.542 462 HG13 ILE 68 HG11 ILE 68 2.839 2.782 -17.246 463 HG21 ILE 68 HG21 ILE 68 0.963 5.043 -19.551 464 HG22 ILE 68 HG22 ILE 68 1.184 5.998 -18.088 465 HG23 ILE 68 HG23 ILE 68 -0.391 5.290 -18.448 466 HD11 ILE 68 HD11 ILE 68 2.814 4.133 -19.937 467 HD12 ILE 68 HD12 ILE 68 2.527 2.414 -19.642 468 HD13 ILE 68 HD13 ILE 68 4.100 3.117 -19.292 469 H THR 69 HN THR 69 -0.454 5.984 -15.137 470 HA THR 69 HA THR 69 -3.108 4.853 -15.460 471 HB THR 69 HB THR 69 -2.581 5.544 -13.201 472 HG1 THR 69 HG1 THR 69 -4.309 7.616 -13.918 473 HG21 THR 69 HG21 THR 69 -2.071 8.269 -14.397 474 HG22 THR 69 HG22 THR 69 -0.929 7.242 -13.523 475 HG23 THR 69 HG23 THR 69 -2.277 7.978 -12.671 476 H ASN 70 HN ASN 70 -4.348 5.433 -16.997 477 HA ASN 70 HA ASN 70 -4.405 8.134 -18.000 478 HB2 ASN 70 HB2 ASN 70 -2.605 6.972 -19.308 479 HB3 ASN 70 HB1 ASN 70 -3.810 5.812 -19.845 480 HD21 ASN 70 HD21 ASN 70 -4.385 9.240 -19.429 481 HD22 ASN 70 HD22 ASN 70 -4.606 9.598 -21.102 Start of MODEL 21 1 H MET 1 HT1 MET 1 -0.540 -5.031 -13.099 2 HA MET 1 HA MET 1 0.077 -6.381 -11.223 3 HB2 MET 1 HB2 MET 1 -0.320 -3.994 -10.852 4 HB3 MET 1 HB1 MET 1 -2.031 -4.302 -10.604 5 HG2 MET 1 HG2 MET 1 -0.933 -3.957 -8.484 6 HG3 MET 1 HG1 MET 1 -1.509 -5.620 -8.610 7 HE1 MET 1 HE1 MET 1 2.921 -4.356 -9.011 8 HE2 MET 1 HE2 MET 1 1.595 -3.238 -8.686 9 HE3 MET 1 HE3 MET 1 1.729 -4.016 -10.265 10 H GLY 2 HN GLY 2 -3.482 -5.983 -11.316 11 HA2 GLY 2 HA2 GLY 2 -5.045 -7.697 -11.012 12 HA3 GLY 2 HA1 GLY 2 -3.753 -8.751 -10.444 13 H LYS 3 HN LYS 3 -2.628 -7.313 -8.459 14 HA LYS 3 HA LYS 3 -4.426 -7.679 -6.324 15 HB2 LYS 3 HB2 LYS 3 -2.059 -8.019 -5.989 16 HB3 LYS 3 HB1 LYS 3 -1.717 -6.353 -6.420 17 HG2 LYS 3 HG2 LYS 3 -2.775 -5.557 -4.410 18 HG3 LYS 3 HG1 LYS 3 -3.303 -7.191 -3.997 19 HD2 LYS 3 HD2 LYS 3 -0.964 -7.896 -3.821 20 HD3 LYS 3 HD1 LYS 3 -0.438 -6.264 -4.237 21 HE2 LYS 3 HE2 LYS 3 -2.171 -6.881 -1.851 22 HE3 LYS 3 HE1 LYS 3 -0.410 -6.851 -1.775 23 HZ1 LYS 3 HZ1 LYS 3 -1.252 -4.732 -1.081 24 HZ2 LYS 3 HZ2 LYS 3 -2.195 -4.574 -2.471 25 HZ3 LYS 3 HZ3 LYS 3 -0.510 -4.533 -2.582 26 H ALA 4 HN ALA 4 -6.140 -6.468 -6.180 27 HA ALA 4 HA ALA 4 -5.861 -3.677 -5.480 28 HB1 ALA 4 HB1 ALA 4 -6.229 -3.538 -7.904 29 HB2 ALA 4 HB2 ALA 4 -7.656 -2.967 -7.038 30 HB3 ALA 4 HB3 ALA 4 -7.646 -4.575 -7.760 31 H TYR 5 HN TYR 5 -6.675 -3.977 -3.487 32 HA TYR 5 HA TYR 5 -9.008 -5.712 -3.211 33 HB2 TYR 5 HB2 TYR 5 -7.104 -6.400 -1.900 34 HB3 TYR 5 HB1 TYR 5 -6.993 -4.809 -1.158 35 HD1 TYR 5 HD1 TYR 5 -9.596 -7.453 -1.643 36 HD2 TYR 5 HD2 TYR 5 -7.780 -4.676 1.017 37 HE1 TYR 5 HE1 TYR 5 -11.066 -8.234 0.162 38 HE2 TYR 5 HE2 TYR 5 -9.251 -5.446 2.834 39 HH TYR 5 HH TYR 5 -11.437 -6.571 3.104 40 H TYR 6 HN TYR 6 -10.876 -5.025 -2.562 41 HA TYR 6 HA TYR 6 -11.106 -2.316 -1.451 42 HB2 TYR 6 HB2 TYR 6 -12.990 -3.767 -3.331 43 HB3 TYR 6 HB1 TYR 6 -13.412 -2.293 -2.471 44 HD1 TYR 6 HD1 TYR 6 -11.316 -3.726 -5.140 45 HD2 TYR 6 HD2 TYR 6 -12.578 -0.172 -3.187 46 HE1 TYR 6 HE1 TYR 6 -10.387 -2.386 -6.983 47 HE2 TYR 6 HE2 TYR 6 -11.658 1.177 -5.019 48 HH TYR 6 HH TYR 6 -10.757 -0.109 -7.982 49 H ASP 7 HN ASP 7 -11.683 -2.442 0.625 50 HA ASP 7 HA ASP 7 -13.110 -4.810 1.517 51 HB2 ASP 7 HB2 ASP 7 -11.110 -3.947 2.800 52 HB3 ASP 7 HB1 ASP 7 -12.065 -2.527 3.222 53 H ILE 8 HN ILE 8 -15.196 -4.716 1.270 54 HA ILE 8 HA ILE 8 -16.581 -2.152 1.133 55 HB ILE 8 HB ILE 8 -17.899 -4.791 0.774 56 HG12 ILE 8 HG12 ILE 8 -16.543 -3.391 -1.517 57 HG13 ILE 8 HG11 ILE 8 -15.678 -4.594 -0.568 58 HG21 ILE 8 HG21 ILE 8 -19.244 -3.537 -0.869 59 HG22 ILE 8 HG22 ILE 8 -18.334 -2.088 -0.442 60 HG23 ILE 8 HG23 ILE 8 -19.334 -2.886 0.768 61 HD11 ILE 8 HD11 ILE 8 -17.352 -6.261 -1.154 62 HD12 ILE 8 HD12 ILE 8 -16.623 -5.549 -2.594 63 HD13 ILE 8 HD13 ILE 8 -18.235 -5.050 -2.083 64 H VAL 9 HN VAL 9 -18.240 -1.591 2.441 65 HA VAL 9 HA VAL 9 -18.793 -3.362 4.720 66 HB VAL 9 HB VAL 9 -19.601 -1.336 5.939 67 HG11 VAL 9 HG11 VAL 9 -17.388 -0.381 6.411 68 HG12 VAL 9 HG12 VAL 9 -16.747 -1.174 4.973 69 HG13 VAL 9 HG13 VAL 9 -17.342 -2.141 6.322 70 HG21 VAL 9 HG21 VAL 9 -18.460 0.165 3.580 71 HG22 VAL 9 HG22 VAL 9 -18.996 0.900 5.094 72 HG23 VAL 9 HG23 VAL 9 -20.158 0.084 4.046 73 H GLY 10 HN GLY 10 -20.851 -4.075 4.969 74 HA2 GLY 10 HA2 GLY 10 -22.715 -3.125 2.899 75 HA3 GLY 10 HA1 GLY 10 -22.659 -4.775 3.498 76 H SER 11 HN SER 11 -24.150 -1.853 3.693 77 HA SER 11 HA SER 11 -25.910 -2.804 5.761 78 HB2 SER 11 HB2 SER 11 -24.479 -0.134 6.015 79 HB3 SER 11 HB1 SER 11 -25.785 -0.694 7.055 80 HG SER 11 HG SER 11 -23.900 -2.574 6.982 81 H ASP 12 HN ASP 12 -27.963 -1.971 5.475 82 HA ASP 12 HA ASP 12 -28.498 -0.918 2.893 83 HB2 ASP 12 HB2 ASP 12 -30.831 -1.037 3.466 84 HB3 ASP 12 HB1 ASP 12 -30.027 -2.489 4.047 85 H ASN 13 HN ASN 13 -27.554 0.583 5.672 86 HA ASN 13 HA ASN 13 -28.776 3.109 4.807 87 HB2 ASN 13 HB2 ASN 13 -28.157 3.906 7.117 88 HB3 ASN 13 HB1 ASN 13 -29.472 2.739 7.010 89 HD21 ASN 13 HD21 ASN 13 -29.176 0.677 7.842 90 HD22 ASN 13 HD22 ASN 13 -27.834 0.262 8.841 91 H ARG 14 HN ARG 14 -25.766 1.497 5.532 92 HA ARG 14 HA ARG 14 -24.352 3.866 4.522 93 HB2 ARG 14 HB2 ARG 14 -23.342 2.030 6.712 94 HB3 ARG 14 HB1 ARG 14 -22.489 3.407 6.047 95 HG2 ARG 14 HG2 ARG 14 -25.059 3.525 7.606 96 HG3 ARG 14 HG1 ARG 14 -23.453 3.866 8.241 97 HD2 ARG 14 HD2 ARG 14 -24.857 5.387 6.049 98 HD3 ARG 14 HD1 ARG 14 -24.675 5.913 7.718 99 HE ARG 14 HE ARG 14 -22.717 6.053 5.621 100 HH11 ARG 14 HH11 ARG 14 -23.133 5.909 9.104 101 HH12 ARG 14 HH12 ARG 14 -21.666 6.753 9.446 102 HH21 ARG 14 HH21 ARG 14 -20.789 7.168 6.064 103 HH22 ARG 14 HH22 ARG 14 -20.309 7.466 7.699 104 H TRP 15 HN TRP 15 -23.603 3.277 2.597 105 HA TRP 15 HA TRP 15 -22.499 0.577 2.353 106 HB2 TRP 15 HB2 TRP 15 -24.524 0.858 1.021 107 HB3 TRP 15 HB1 TRP 15 -23.844 2.289 0.254 108 HD1 TRP 15 HD1 TRP 15 -23.133 -1.506 0.485 109 HE1 TRP 15 HE1 TRP 15 -21.970 -2.242 -1.684 110 HE3 TRP 15 HE3 TRP 15 -22.656 3.052 -1.785 111 HZ2 TRP 15 HZ2 TRP 15 -20.996 -1.064 -4.041 112 HZ3 TRP 15 HZ3 TRP 15 -21.591 3.142 -4.008 113 HH2 TRP 15 HH2 TRP 15 -20.783 1.136 -5.102 114 H GLY 16 HN GLY 16 -20.393 0.394 1.613 115 HA2 GLY 16 HA2 GLY 16 -19.062 2.879 0.781 116 HA3 GLY 16 HA1 GLY 16 -18.532 2.083 2.251 117 H ILE 17 HN ILE 17 -17.598 2.639 -0.719 118 HA ILE 17 HA ILE 17 -16.302 0.016 -1.074 119 HB ILE 17 HB ILE 17 -16.321 2.401 -2.980 120 HG12 ILE 17 HG12 ILE 17 -18.573 1.383 -2.797 121 HG13 ILE 17 HG11 ILE 17 -17.866 1.023 -4.368 122 HG21 ILE 17 HG21 ILE 17 -15.457 0.757 -4.630 123 HG22 ILE 17 HG22 ILE 17 -15.292 -0.416 -3.324 124 HG23 ILE 17 HG23 ILE 17 -14.348 1.074 -3.295 125 HD11 ILE 17 HD11 ILE 17 -17.974 -0.846 -2.017 126 HD12 ILE 17 HD12 ILE 17 -17.254 -1.208 -3.581 127 HD13 ILE 17 HD13 ILE 17 -18.990 -0.917 -3.455 128 H ARG 18 HN ARG 18 -14.506 -0.050 0.160 129 HA ARG 18 HA ARG 18 -12.818 2.361 0.290 130 HB2 ARG 18 HB2 ARG 18 -13.889 1.740 2.418 131 HB3 ARG 18 HB1 ARG 18 -13.160 0.148 2.323 132 HG2 ARG 18 HG2 ARG 18 -10.957 1.123 2.551 133 HG3 ARG 18 HG1 ARG 18 -11.664 2.745 2.561 134 HD2 ARG 18 HD2 ARG 18 -11.187 2.026 4.832 135 HD3 ARG 18 HD1 ARG 18 -12.924 2.169 4.589 136 HE ARG 18 HE ARG 18 -12.965 -0.283 4.360 137 HH11 ARG 18 HH11 ARG 18 -10.249 1.197 6.011 138 HH12 ARG 18 HH12 ARG 18 -9.799 -0.251 6.835 139 HH21 ARG 18 HH21 ARG 18 -12.393 -2.204 5.503 140 HH22 ARG 18 HH22 ARG 18 -11.039 -2.168 6.581 141 H HIS 19 HN HIS 19 -10.981 2.153 -0.847 142 HA HIS 19 HA HIS 19 -10.007 -0.494 -1.572 143 HB2 HIS 19 HB2 HIS 19 -9.997 1.318 -3.253 144 HB3 HIS 19 HB1 HIS 19 -8.852 2.213 -2.257 145 HD1 HIS 19 HD1 HIS 19 -6.405 1.261 -2.133 146 HD2 HIS 19 HD2 HIS 19 -8.906 -0.724 -4.788 147 HE1 HIS 19 HE1 HIS 19 -4.884 -0.126 -3.580 148 H ASP 20 HN ASP 20 -9.353 -1.418 0.259 149 HA ASP 20 HA ASP 20 -7.132 -0.262 1.695 150 HB2 ASP 20 HB2 ASP 20 -8.686 -2.828 1.996 151 HB3 ASP 20 HB1 ASP 20 -7.213 -2.513 2.908 152 H ASP 21 HN ASP 21 -5.125 -0.580 1.148 153 HA ASP 21 HA ASP 21 -4.530 -1.870 -1.287 154 HB2 ASP 21 HB2 ASP 21 -2.165 -1.306 -0.723 155 HB3 ASP 21 HB1 ASP 21 -3.309 0.037 -0.644 156 H ASP 22 HN ASP 22 -3.512 -2.697 2.035 157 HA ASP 22 HA ASP 22 -4.194 -5.393 1.776 158 HB2 ASP 22 HB2 ASP 22 -1.928 -6.458 1.799 159 HB3 ASP 22 HB1 ASP 22 -2.359 -5.703 0.270 160 HA PRO 23 HA PRO 23 -2.916 -3.995 6.071 161 HB2 PRO 23 HB2 PRO 23 -5.582 -3.244 6.809 162 HB3 PRO 23 HB1 PRO 23 -4.173 -2.194 6.674 163 HG2 PRO 23 HG2 PRO 23 -6.390 -2.094 5.016 164 HG3 PRO 23 HG1 PRO 23 -4.792 -1.437 4.625 165 HD2 PRO 23 HD2 PRO 23 -6.050 -4.008 3.769 166 HD3 PRO 23 HD1 PRO 23 -4.987 -2.913 2.860 167 H THR 24 HN THR 24 -5.097 -5.927 4.453 168 HA THR 24 HA THR 24 -5.876 -7.496 6.760 169 HB THR 24 HB THR 24 -7.356 -8.612 5.084 170 HG1 THR 24 HG1 THR 24 -6.878 -8.354 3.028 171 HG21 THR 24 HG21 THR 24 -8.164 -6.582 6.268 172 HG22 THR 24 HG22 THR 24 -8.842 -6.719 4.644 173 HG23 THR 24 HG23 THR 24 -7.523 -5.591 4.955 174 H GLY 25 HN GLY 25 -3.643 -7.170 4.248 175 HA2 GLY 25 HA2 GLY 25 -1.772 -8.375 3.735 176 HA3 GLY 25 HA1 GLY 25 -2.241 -9.548 4.950 177 H ASP 26 HN ASP 26 -4.906 -9.833 3.695 178 HA ASP 26 HA ASP 26 -4.199 -11.266 1.260 179 HB2 ASP 26 HB2 ASP 26 -5.017 -13.336 2.059 180 HB3 ASP 26 HB1 ASP 26 -3.965 -12.674 3.312 181 H TYR 27 HN TYR 27 -6.194 -12.209 0.259 182 HA TYR 27 HA TYR 27 -8.682 -10.922 0.941 183 HB2 TYR 27 HB2 TYR 27 -8.962 -10.142 -1.481 184 HB3 TYR 27 HB1 TYR 27 -7.896 -9.191 -0.460 185 HD1 TYR 27 HD1 TYR 27 -7.960 -11.713 -3.187 186 HD2 TYR 27 HD2 TYR 27 -5.610 -8.912 -1.009 187 HE1 TYR 27 HE1 TYR 27 -6.165 -11.933 -4.852 188 HE2 TYR 27 HE2 TYR 27 -3.803 -9.125 -2.664 189 HH TYR 27 HH TYR 27 -3.018 -10.784 -4.346 190 H SER 28 HN SER 28 -10.503 -11.945 0.043 191 HA SER 28 HA SER 28 -10.163 -14.720 -0.328 192 HB2 SER 28 HB2 SER 28 -12.662 -14.568 -0.958 193 HB3 SER 28 HB1 SER 28 -12.187 -14.102 0.679 194 HG SER 28 HG SER 28 -13.046 -12.242 0.251 195 H SER 29 HN SER 29 -10.932 -12.116 -2.603 196 HA SER 29 HA SER 29 -9.584 -13.196 -4.756 197 HB2 SER 29 HB2 SER 29 -11.545 -13.924 -6.205 198 HB3 SER 29 HB1 SER 29 -11.131 -15.026 -4.897 199 HG SER 29 HG SER 29 -12.811 -13.679 -3.717 200 H LYS 30 HN LYS 30 -9.739 -11.928 -6.620 201 HA LYS 30 HA LYS 30 -10.357 -9.196 -6.194 202 HB2 LYS 30 HB2 LYS 30 -8.633 -10.123 -7.747 203 HB3 LYS 30 HB1 LYS 30 -9.935 -10.645 -8.804 204 HG2 LYS 30 HG2 LYS 30 -10.633 -8.299 -9.050 205 HG3 LYS 30 HG1 LYS 30 -9.259 -7.813 -8.051 206 HD2 LYS 30 HD2 LYS 30 -7.740 -8.876 -9.672 207 HD3 LYS 30 HD1 LYS 30 -9.139 -9.290 -10.664 208 HE2 LYS 30 HE2 LYS 30 -8.094 -7.314 -11.561 209 HE3 LYS 30 HE1 LYS 30 -9.663 -6.889 -10.871 210 HZ1 LYS 30 HZ1 LYS 30 -7.047 -6.540 -9.502 211 HZ2 LYS 30 HZ2 LYS 30 -8.555 -6.041 -8.919 212 HZ3 LYS 30 HZ3 LYS 30 -7.898 -5.309 -10.289 213 H GLU 31 HN GLU 31 -12.000 -11.783 -7.995 214 HA GLU 31 HA GLU 31 -13.950 -10.127 -9.166 215 HB2 GLU 31 HB2 GLU 31 -15.024 -12.138 -9.869 216 HB3 GLU 31 HB1 GLU 31 -13.286 -12.338 -10.055 217 HG2 GLU 31 HG2 GLU 31 -13.434 -13.468 -7.721 218 HG3 GLU 31 HG1 GLU 31 -15.158 -13.580 -8.108 219 H ALA 32 HN ALA 32 -13.890 -11.985 -6.160 220 HA ALA 32 HA ALA 32 -16.632 -11.731 -5.581 221 HB1 ALA 32 HB1 ALA 32 -16.031 -12.174 -3.261 222 HB2 ALA 32 HB2 ALA 32 -14.331 -11.914 -3.652 223 HB3 ALA 32 HB3 ALA 32 -15.203 -13.278 -4.360 224 H ALA 33 HN ALA 33 -13.898 -9.613 -5.090 225 HA ALA 33 HA ALA 33 -15.240 -7.809 -3.384 226 HB1 ALA 33 HB1 ALA 33 -13.399 -6.289 -3.836 227 HB2 ALA 33 HB2 ALA 33 -12.872 -7.296 -5.183 228 HB3 ALA 33 HB3 ALA 33 -12.791 -7.917 -3.534 229 H PHE 34 HN PHE 34 -14.476 -7.661 -6.890 230 HA PHE 34 HA PHE 34 -16.009 -5.307 -7.257 231 HB2 PHE 34 HB2 PHE 34 -14.989 -7.324 -9.235 232 HB3 PHE 34 HB1 PHE 34 -15.858 -5.861 -9.701 233 HD1 PHE 34 HD1 PHE 34 -12.718 -7.267 -8.965 234 HD2 PHE 34 HD2 PHE 34 -14.949 -3.646 -8.799 235 HE1 PHE 34 HE1 PHE 34 -10.621 -6.005 -8.841 236 HE2 PHE 34 HE2 PHE 34 -12.837 -2.363 -8.683 237 HZ PHE 34 HZ PHE 34 -10.669 -3.562 -8.697 238 H GLU 35 HN GLU 35 -16.797 -8.725 -7.762 239 HA GLU 35 HA GLU 35 -19.223 -8.340 -9.029 240 HB2 GLU 35 HB2 GLU 35 -18.096 -10.529 -8.876 241 HB3 GLU 35 HB1 GLU 35 -18.497 -10.600 -7.169 242 HG2 GLU 35 HG2 GLU 35 -20.887 -10.505 -7.726 243 HG3 GLU 35 HG1 GLU 35 -20.469 -10.497 -9.438 244 H ALA 36 HN ALA 36 -18.560 -8.912 -5.584 245 HA ALA 36 HA ALA 36 -21.243 -8.581 -4.763 246 HB1 ALA 36 HB1 ALA 36 -19.588 -9.793 -3.443 247 HB2 ALA 36 HB2 ALA 36 -20.394 -8.523 -2.519 248 HB3 ALA 36 HB3 ALA 36 -18.753 -8.270 -3.119 249 H ALA 37 HN ALA 37 -18.511 -6.328 -4.924 250 HA ALA 37 HA ALA 37 -19.716 -4.219 -3.536 251 HB1 ALA 37 HB1 ALA 37 -17.705 -4.055 -5.774 252 HB2 ALA 37 HB2 ALA 37 -17.344 -4.255 -4.059 253 HB3 ALA 37 HB3 ALA 37 -18.095 -2.766 -4.631 254 H CYS 38 HN CYS 38 -19.628 -4.879 -7.022 255 HA CYS 38 HA CYS 38 -21.228 -2.670 -7.716 256 HB2 CYS 38 HB2 CYS 38 -20.871 -5.234 -9.241 257 HB3 CYS 38 HB1 CYS 38 -21.424 -3.678 -9.867 258 HG CYS 38 HG CYS 38 -18.314 -4.574 -8.876 259 H ALA 39 HN ALA 39 -21.956 -6.040 -6.905 260 HA ALA 39 HA ALA 39 -24.687 -6.073 -7.561 261 HB1 ALA 39 HB1 ALA 39 -23.363 -8.087 -7.014 262 HB2 ALA 39 HB2 ALA 39 -24.855 -7.991 -6.080 263 HB3 ALA 39 HB3 ALA 39 -23.315 -7.574 -5.329 264 H ALA 40 HN ALA 40 -23.023 -5.386 -4.535 265 HA ALA 40 HA ALA 40 -25.281 -4.679 -3.034 266 HB1 ALA 40 HB1 ALA 40 -23.699 -3.677 -1.475 267 HB2 ALA 40 HB2 ALA 40 -22.425 -3.751 -2.692 268 HB3 ALA 40 HB3 ALA 40 -23.109 -5.240 -2.040 269 H ALA 41 HN ALA 41 -23.188 -2.864 -5.194 270 HA ALA 41 HA ALA 41 -24.093 -0.275 -4.610 271 HB1 ALA 41 HB1 ALA 41 -22.102 -0.725 -5.972 272 HB2 ALA 41 HB2 ALA 41 -23.228 0.345 -6.806 273 HB3 ALA 41 HB3 ALA 41 -23.129 -1.356 -7.260 274 H SER 42 HN SER 42 -25.344 -2.759 -6.775 275 HA SER 42 HA SER 42 -27.230 -1.163 -8.044 276 HB2 SER 42 HB2 SER 42 -27.481 -4.109 -7.403 277 HB3 SER 42 HB1 SER 42 -28.370 -3.223 -8.641 278 HG SER 42 HG SER 42 -25.547 -3.229 -8.649 279 H ASN 43 HN ASN 43 -27.387 -3.213 -5.168 280 HA ASN 43 HA ASN 43 -30.060 -2.711 -4.417 281 HB2 ASN 43 HB2 ASN 43 -28.620 -4.584 -3.543 282 HB3 ASN 43 HB1 ASN 43 -27.739 -3.396 -2.590 283 HD21 ASN 43 HD21 ASN 43 -28.302 -4.288 -0.633 284 HD22 ASN 43 HD22 ASN 43 -29.905 -4.225 0.008 285 H ALA 44 HN ALA 44 -27.025 -1.133 -3.688 286 HA ALA 44 HA ALA 44 -27.808 0.558 -1.647 287 HB1 ALA 44 HB1 ALA 44 -25.732 1.037 -3.778 288 HB2 ALA 44 HB2 ALA 44 -25.480 0.181 -2.258 289 HB3 ALA 44 HB3 ALA 44 -25.855 1.903 -2.247 290 H ILE 45 HN ILE 45 -27.651 1.239 -5.116 291 HA ILE 45 HA ILE 45 -28.783 3.819 -4.850 292 HB ILE 45 HB ILE 45 -28.747 2.021 -7.279 293 HG12 ILE 45 HG12 ILE 45 -26.495 2.375 -6.431 294 HG13 ILE 45 HG11 ILE 45 -26.718 3.250 -7.944 295 HG21 ILE 45 HG21 ILE 45 -30.341 3.858 -7.511 296 HG22 ILE 45 HG22 ILE 45 -28.963 4.092 -8.587 297 HG23 ILE 45 HG23 ILE 45 -29.080 5.014 -7.087 298 HD11 ILE 45 HD11 ILE 45 -27.042 5.333 -6.658 299 HD12 ILE 45 HD12 ILE 45 -25.470 4.594 -6.362 300 HD13 ILE 45 HD13 ILE 45 -26.755 4.437 -5.166 301 H LYS 46 HN LYS 46 -30.061 0.648 -5.515 302 HA LYS 46 HA LYS 46 -32.660 1.256 -6.243 303 HB2 LYS 46 HB2 LYS 46 -31.604 -0.970 -6.371 304 HB3 LYS 46 HB1 LYS 46 -31.700 -1.100 -4.624 305 HG2 LYS 46 HG2 LYS 46 -34.164 -0.974 -4.779 306 HG3 LYS 46 HG1 LYS 46 -34.019 -0.959 -6.538 307 HD2 LYS 46 HD2 LYS 46 -32.980 -3.152 -4.741 308 HD3 LYS 46 HD1 LYS 46 -34.505 -3.212 -5.623 309 HE2 LYS 46 HE2 LYS 46 -33.232 -2.932 -7.737 310 HE3 LYS 46 HE1 LYS 46 -31.740 -3.031 -6.801 311 HZ1 LYS 46 HZ1 LYS 46 -32.420 -5.250 -6.067 312 HZ2 LYS 46 HZ2 LYS 46 -32.273 -5.165 -7.745 313 HZ3 LYS 46 HZ3 LYS 46 -33.805 -5.152 -7.035 314 H PHE 47 HN PHE 47 -31.275 0.727 -3.000 315 HA PHE 47 HA PHE 47 -33.860 1.240 -1.783 316 HB2 PHE 47 HB2 PHE 47 -32.454 -0.701 -1.070 317 HB3 PHE 47 HB1 PHE 47 -31.299 0.440 -0.401 318 HD1 PHE 47 HD1 PHE 47 -34.909 -0.471 -0.210 319 HD2 PHE 47 HD2 PHE 47 -31.501 1.045 1.841 320 HE1 PHE 47 HE1 PHE 47 -36.174 -0.476 1.897 321 HE2 PHE 47 HE2 PHE 47 -32.761 1.044 3.948 322 HZ PHE 47 HZ PHE 47 -35.100 0.282 3.979 323 H GLY 48 HN GLY 48 -31.308 3.190 -2.670 324 HA2 GLY 48 HA2 GLY 48 -31.081 5.495 -2.221 325 HA3 GLY 48 HA1 GLY 48 -32.278 5.336 -0.942 326 H HIS 49 HN HIS 49 -29.475 3.360 -1.276 327 HA HIS 49 HA HIS 49 -28.597 3.762 1.367 328 HB2 HIS 49 HB2 HIS 49 -27.356 2.584 -1.080 329 HB3 HIS 49 HB1 HIS 49 -26.466 2.658 0.441 330 HD2 HIS 49 HD2 HIS 49 -30.175 1.616 0.598 331 HE1 HIS 49 HE1 HIS 49 -27.829 -1.916 0.804 332 HE2 HIS 49 HE2 HIS 49 -30.114 -0.924 1.137 333 H GLU 50 HN GLU 50 -27.060 5.117 2.176 334 HA GLU 50 HA GLU 50 -26.146 7.345 0.730 335 HB2 GLU 50 HB2 GLU 50 -26.253 7.322 3.136 336 HB3 GLU 50 HB1 GLU 50 -25.075 6.019 3.219 337 HG2 GLU 50 HG2 GLU 50 -23.378 7.516 2.247 338 HG3 GLU 50 HG1 GLU 50 -24.565 8.821 2.219 339 H VAL 51 HN VAL 51 -24.586 7.464 -0.747 340 HA VAL 51 HA VAL 51 -23.042 5.056 -1.246 341 HB VAL 51 HB VAL 51 -24.317 5.848 -3.135 342 HG11 VAL 51 HG11 VAL 51 -24.551 8.181 -2.579 343 HG12 VAL 51 HG12 VAL 51 -23.864 8.024 -4.198 344 HG13 VAL 51 HG13 VAL 51 -22.827 8.445 -2.834 345 HG21 VAL 51 HG21 VAL 51 -22.594 5.969 -4.817 346 HG22 VAL 51 HG22 VAL 51 -22.091 4.858 -3.541 347 HG23 VAL 51 HG23 VAL 51 -21.413 6.480 -3.610 348 H ARG 52 HN ARG 52 -20.975 4.890 -0.802 349 HA ARG 52 HA ARG 52 -19.359 7.330 -0.593 350 HB2 ARG 52 HB2 ARG 52 -19.290 4.977 1.307 351 HB3 ARG 52 HB1 ARG 52 -18.141 6.305 1.308 352 HG2 ARG 52 HG2 ARG 52 -21.097 6.567 1.792 353 HG3 ARG 52 HG1 ARG 52 -19.851 6.542 3.041 354 HD2 ARG 52 HD2 ARG 52 -18.833 8.546 2.015 355 HD3 ARG 52 HD1 ARG 52 -20.135 8.573 0.832 356 HE ARG 52 HE ARG 52 -20.802 8.718 3.674 357 HH11 ARG 52 HH11 ARG 52 -20.756 10.199 0.488 358 HH12 ARG 52 HH12 ARG 52 -21.643 11.596 0.996 359 HH21 ARG 52 HH21 ARG 52 -21.958 10.551 4.338 360 HH22 ARG 52 HH22 ARG 52 -22.325 11.811 3.205 361 H ILE 53 HN ILE 53 -17.496 7.285 -1.649 362 HA ILE 53 HA ILE 53 -16.403 4.703 -2.500 363 HB ILE 53 HB ILE 53 -16.428 7.268 -4.136 364 HG12 ILE 53 HG12 ILE 53 -17.610 5.627 -5.810 365 HG13 ILE 53 HG11 ILE 53 -18.018 4.732 -4.353 366 HG21 ILE 53 HG21 ILE 53 -14.352 6.041 -4.420 367 HG22 ILE 53 HG22 ILE 53 -15.329 5.963 -5.889 368 HG23 ILE 53 HG23 ILE 53 -15.253 4.574 -4.806 369 HD11 ILE 53 HD11 ILE 53 -18.719 7.599 -4.914 370 HD12 ILE 53 HD12 ILE 53 -19.143 6.698 -3.457 371 HD13 ILE 53 HD13 ILE 53 -19.814 6.221 -5.018 372 H THR 54 HN THR 54 -14.490 4.473 -1.553 373 HA THR 54 HA THR 54 -12.950 6.915 -1.122 374 HB THR 54 HB THR 54 -12.068 5.743 0.979 375 HG1 THR 54 HG1 THR 54 -13.918 3.942 0.142 376 HG21 THR 54 HG21 THR 54 -13.472 7.724 1.070 377 HG22 THR 54 HG22 THR 54 -13.957 6.583 2.330 378 HG23 THR 54 HG23 THR 54 -14.914 6.729 0.856 379 H VAL 55 HN VAL 55 -11.619 6.685 -2.761 380 HA VAL 55 HA VAL 55 -9.786 4.390 -2.719 381 HB VAL 55 HB VAL 55 -9.311 4.918 -5.138 382 HG11 VAL 55 HG11 VAL 55 -12.149 4.178 -4.431 383 HG12 VAL 55 HG12 VAL 55 -10.772 3.079 -4.529 384 HG13 VAL 55 HG13 VAL 55 -11.373 3.875 -5.983 385 HG21 VAL 55 HG21 VAL 55 -11.764 6.669 -4.877 386 HG22 VAL 55 HG22 VAL 55 -10.936 6.270 -6.380 387 HG23 VAL 55 HG23 VAL 55 -10.119 7.239 -5.155 388 HA PRO 56 HA PRO 56 -6.700 7.445 -1.546 389 HB2 PRO 56 HB2 PRO 56 -4.777 5.299 -2.153 390 HB3 PRO 56 HB1 PRO 56 -5.076 6.130 -0.627 391 HG2 PRO 56 HG2 PRO 56 -5.818 3.575 -1.015 392 HG3 PRO 56 HG1 PRO 56 -6.764 4.691 -0.013 393 HD2 PRO 56 HD2 PRO 56 -7.271 3.768 -2.811 394 HD3 PRO 56 HD1 PRO 56 -8.410 4.038 -1.472 395 H GLY 57 HN GLY 57 -5.311 8.790 -2.627 396 HA2 GLY 57 HA2 GLY 57 -4.502 8.034 -5.360 397 HA3 GLY 57 HA1 GLY 57 -5.286 9.579 -5.061 398 H ASN 58 HN ASN 58 -3.010 8.123 -2.836 399 HA ASN 58 HA ASN 58 -1.248 10.431 -3.254 400 HB2 ASN 58 HB2 ASN 58 -0.347 9.957 -1.021 401 HB3 ASN 58 HB1 ASN 58 -2.092 10.151 -0.969 402 HD21 ASN 58 HD21 ASN 58 -0.358 8.813 0.927 403 HD22 ASN 58 HD22 ASN 58 -0.896 7.169 1.012 404 H ASP 59 HN ASP 59 -1.409 7.148 -3.967 405 HA ASP 59 HA ASP 59 1.477 6.745 -3.900 406 HB2 ASP 59 HB2 ASP 59 -0.111 4.924 -3.199 407 HB3 ASP 59 HB1 ASP 59 -0.634 4.822 -4.877 408 H GLY 60 HN GLY 60 2.764 7.142 -5.614 409 HA2 GLY 60 HA2 GLY 60 2.811 6.655 -8.124 410 HA3 GLY 60 HA1 GLY 60 1.421 7.737 -8.157 411 H SER 61 HN SER 61 3.153 8.869 -5.713 412 HA SER 61 HA SER 61 4.242 11.045 -7.235 413 HB2 SER 61 HB2 SER 61 4.436 10.419 -4.283 414 HB3 SER 61 HB1 SER 61 4.868 11.955 -5.045 415 HG SER 61 HG SER 61 2.361 11.166 -5.736 416 H GLU 62 HN GLU 62 5.328 8.001 -6.534 417 HA GLU 62 HA GLU 62 8.068 8.837 -7.054 418 HB2 GLU 62 HB2 GLU 62 7.863 8.338 -4.635 419 HB3 GLU 62 HB1 GLU 62 7.328 6.712 -5.042 420 HG2 GLU 62 HG2 GLU 62 9.459 6.286 -6.139 421 HG3 GLU 62 HG1 GLU 62 9.995 7.913 -5.730 422 H THR 63 HN THR 63 7.993 8.203 -9.106 423 HA THR 63 HA THR 63 7.055 5.635 -9.939 424 HB THR 63 HB THR 63 8.764 7.627 -11.455 425 HG1 THR 63 HG1 THR 63 6.972 8.685 -11.828 426 HG21 THR 63 HG21 THR 63 7.874 6.497 -13.463 427 HG22 THR 63 HG22 THR 63 7.054 5.326 -12.432 428 HG23 THR 63 HG23 THR 63 8.814 5.396 -12.457 429 H ASN 64 HN ASN 64 8.215 4.133 -8.787 430 HA ASN 64 HA ASN 64 11.070 3.885 -9.494 431 HB2 ASN 64 HB2 ASN 64 11.407 2.612 -7.458 432 HB3 ASN 64 HB1 ASN 64 10.629 4.132 -7.043 433 HD21 ASN 64 HD21 ASN 64 8.511 4.107 -6.292 434 HD22 ASN 64 HD22 ASN 64 7.731 2.650 -5.780 435 H LEU 65 HN LEU 65 8.209 2.904 -10.439 436 HA LEU 65 HA LEU 65 8.338 0.070 -10.356 437 HB2 LEU 65 HB2 LEU 65 6.745 1.906 -12.144 438 HB3 LEU 65 HB1 LEU 65 6.483 0.185 -11.983 439 HG LEU 65 HG LEU 65 6.123 2.215 -9.779 440 HD11 LEU 65 HD11 LEU 65 3.743 1.751 -10.026 441 HD12 LEU 65 HD12 LEU 65 4.090 0.685 -11.388 442 HD13 LEU 65 HD13 LEU 65 4.432 2.412 -11.507 443 HD21 LEU 65 HD21 LEU 65 5.103 0.340 -8.546 444 HD22 LEU 65 HD22 LEU 65 6.811 0.066 -8.886 445 HD23 LEU 65 HD23 LEU 65 5.577 -0.752 -9.847 446 H GLY 66 HN GLY 66 8.773 -1.372 -12.025 447 HA2 GLY 66 HA2 GLY 66 11.017 -0.704 -13.617 448 HA3 GLY 66 HA1 GLY 66 10.107 -2.203 -13.688 449 H VAL 67 HN VAL 67 11.224 -0.530 -15.830 450 HA VAL 67 HA VAL 67 8.883 0.553 -17.163 451 HB VAL 67 HB VAL 67 11.614 0.285 -18.397 452 HG11 VAL 67 HG11 VAL 67 9.852 0.946 -19.862 453 HG12 VAL 67 HG12 VAL 67 10.957 2.295 -19.600 454 HG13 VAL 67 HG13 VAL 67 9.397 2.257 -18.777 455 HG21 VAL 67 HG21 VAL 67 12.200 2.495 -17.509 456 HG22 VAL 67 HG22 VAL 67 11.974 1.320 -16.213 457 HG23 VAL 67 HG23 VAL 67 10.714 2.504 -16.563 458 H ILE 68 HN ILE 68 7.680 -0.618 -18.536 459 HA ILE 68 HA ILE 68 8.577 -3.300 -19.207 460 HB ILE 68 HB ILE 68 6.262 -2.918 -18.355 461 HG12 ILE 68 HG12 ILE 68 6.267 -3.997 -21.182 462 HG13 ILE 68 HG11 ILE 68 6.864 -4.890 -19.789 463 HG21 ILE 68 HG21 ILE 68 4.575 -1.968 -19.887 464 HG22 ILE 68 HG22 ILE 68 5.875 -1.495 -20.984 465 HG23 ILE 68 HG23 ILE 68 5.780 -0.793 -19.368 466 HD11 ILE 68 HD11 ILE 68 4.037 -3.924 -20.179 467 HD12 ILE 68 HD12 ILE 68 4.637 -4.838 -18.796 468 HD13 ILE 68 HD13 ILE 68 4.611 -5.577 -20.396 469 H THR 69 HN THR 69 8.770 -0.286 -20.572 470 HA THR 69 HA THR 69 8.749 -1.344 -23.292 471 HB THR 69 HB THR 69 7.402 0.702 -22.917 472 HG1 THR 69 HG1 THR 69 8.862 2.008 -24.547 473 HG21 THR 69 HG21 THR 69 8.646 1.819 -21.200 474 HG22 THR 69 HG22 THR 69 8.583 2.868 -22.616 475 HG23 THR 69 HG23 THR 69 10.052 1.962 -22.253 476 H ASN 70 HN ASN 70 10.571 -1.580 -24.423 477 HA ASN 70 HA ASN 70 13.018 -0.259 -23.572 478 HB2 ASN 70 HB2 ASN 70 12.819 -2.460 -22.301 479 HB3 ASN 70 HB1 ASN 70 12.935 -3.269 -23.860 480 HD21 ASN 70 HD21 ASN 70 14.683 -3.510 -21.637 481 HD22 ASN 70 HD22 ASN 70 16.254 -3.008 -22.148
Contact the webmaster for help, if required. Monday, July 8, 2024 8:12:40 PM GMT (wattos1)