NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20904 | 2gpf | 7075 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 5.133 -16.395 -26.943 2 2H MET 1 HT2 MET 1 3.875 -17.423 -26.435 3 3H MET 1 HT3 MET 1 5.488 -17.833 -26.122 4 HA MET 1 HA MET 1 4.416 -17.032 -24.138 5 1HB MET 1 HB2 MET 1 6.505 -15.222 -25.329 6 2HB MET 1 HB1 MET 1 5.974 -15.094 -23.659 7 1HG MET 1 HG2 MET 1 6.723 -17.423 -23.280 8 2HG MET 1 HG1 MET 1 7.335 -17.460 -24.933 9 1HE MET 1 HE1 MET 1 7.697 -15.853 -21.383 10 2HE MET 1 HE2 MET 1 7.433 -14.426 -22.393 11 3HE MET 1 HE3 MET 1 9.000 -14.688 -21.644 12 H THR 2 HN THR 2 3.378 -15.309 -23.020 13 HA THR 2 HA THR 2 1.878 -13.533 -24.797 14 HB THR 2 HB THR 2 0.479 -14.830 -23.328 15 HG1 THR 2 HG1 THR 2 -0.602 -13.105 -22.279 16 1HG2 THR 2 HG21 THR 2 2.106 -15.319 -21.579 17 2HG2 THR 2 HG22 THR 2 0.626 -14.655 -20.883 18 3HG2 THR 2 HG23 THR 2 2.055 -13.637 -21.056 19 H SER 3 HN SER 3 1.628 -11.274 -24.213 20 HA SER 3 HA SER 3 4.074 -10.230 -22.972 21 1HB SER 3 HB2 SER 3 2.241 -8.965 -25.020 22 2HB SER 3 HB1 SER 3 3.688 -8.215 -24.340 23 HG SER 3 HG SER 3 3.602 -10.636 -25.832 24 H VAL 4 HN VAL 4 1.256 -10.897 -21.818 25 HA VAL 4 HA VAL 4 0.131 -8.476 -20.946 26 HB VAL 4 HB VAL 4 0.022 -11.228 -19.706 27 1HG1 VAL 4 HG11 VAL 4 -1.828 -10.462 -18.351 28 2HG1 VAL 4 HG12 VAL 4 -1.690 -8.836 -19.016 29 3HG1 VAL 4 HG13 VAL 4 -0.395 -9.492 -18.015 30 1HG2 VAL 4 HG21 VAL 4 -2.246 -11.267 -20.672 31 2HG2 VAL 4 HG22 VAL 4 -1.007 -11.087 -21.917 32 3HG2 VAL 4 HG23 VAL 4 -1.962 -9.690 -21.390 33 H PHE 5 HN PHE 5 2.466 -10.652 -19.478 34 HA PHE 5 HA PHE 5 3.982 -10.460 -17.847 35 1HB PHE 5 HB2 PHE 5 4.732 -8.418 -19.031 36 2HB PHE 5 HB1 PHE 5 3.573 -7.484 -18.106 37 HD1 PHE 5 HD1 PHE 5 4.234 -6.437 -16.177 38 HD2 PHE 5 HD2 PHE 5 6.430 -9.813 -17.584 39 HE1 PHE 5 HE1 PHE 5 5.894 -6.096 -14.399 40 HE2 PHE 5 HE2 PHE 5 8.090 -9.486 -15.791 41 HZ PHE 5 HZ PHE 5 7.818 -7.613 -14.188 42 H ASP 6 HN ASP 6 3.440 -11.170 -15.923 43 HA ASP 6 HA ASP 6 1.128 -10.154 -14.543 44 1HB ASP 6 HB2 ASP 6 3.097 -12.353 -13.913 45 2HB ASP 6 HB1 ASP 6 1.770 -11.904 -12.833 46 H ARG 7 HN ARG 7 1.214 -8.402 -13.334 47 HA ARG 7 HA ARG 7 3.433 -8.124 -11.474 48 1HB ARG 7 HB2 ARG 7 3.817 -5.784 -11.952 49 2HB ARG 7 HB1 ARG 7 4.032 -6.709 -13.430 50 1HG ARG 7 HG2 ARG 7 1.483 -5.266 -12.798 51 2HG ARG 7 HG1 ARG 7 2.835 -4.500 -13.620 52 1HD ARG 7 HD2 ARG 7 2.697 -6.262 -15.359 53 2HD ARG 7 HD1 ARG 7 1.283 -6.932 -14.529 54 HE ARG 7 HE ARG 7 1.141 -4.125 -15.299 55 1HH1 ARG 7 HH11 ARG 7 0.346 -7.440 -16.157 56 2HH1 ARG 7 HH12 ARG 7 -0.966 -6.979 -17.203 57 1HH2 ARG 7 HH21 ARG 7 -0.549 -3.527 -16.727 58 2HH2 ARG 7 HH22 ARG 7 -1.459 -4.763 -17.539 59 H ASP 8 HN ASP 8 1.262 -9.091 -10.538 60 HA ASP 8 HA ASP 8 -0.811 -7.163 -10.057 61 1HB ASP 8 HB2 ASP 8 -0.384 -10.006 -9.155 62 2HB ASP 8 HB1 ASP 8 -1.737 -9.034 -8.583 63 H ASP 9 HN ASP 9 1.000 -5.776 -9.070 64 HA ASP 9 HA ASP 9 1.074 -6.229 -6.181 65 1HB ASP 9 HB2 ASP 9 2.674 -4.390 -7.951 66 2HB ASP 9 HB1 ASP 9 2.726 -4.298 -6.209 67 H ILE 10 HN ILE 10 -0.644 -5.363 -5.193 68 HA ILE 10 HA ILE 10 -1.724 -2.869 -6.268 69 HB ILE 10 HB ILE 10 -3.413 -4.569 -5.925 70 1HG1 ILE 10 HG12 ILE 10 -3.662 -2.395 -3.832 71 2HG1 ILE 10 HG11 ILE 10 -4.000 -2.200 -5.559 72 1HG2 ILE 10 HG21 ILE 10 -2.393 -5.897 -4.189 73 2HG2 ILE 10 HG22 ILE 10 -4.001 -5.379 -3.666 74 3HG2 ILE 10 HG23 ILE 10 -2.561 -4.577 -3.035 75 1HD1 ILE 10 HD11 ILE 10 -5.471 -3.978 -3.632 76 2HD1 ILE 10 HD12 ILE 10 -5.754 -3.927 -5.372 77 3HD1 ILE 10 HD13 ILE 10 -6.057 -2.494 -4.386 78 H GLN 11 HN GLN 11 -1.018 -1.045 -5.432 79 HA GLN 11 HA GLN 11 0.440 -1.184 -2.919 80 1HB GLN 11 HB2 GLN 11 0.437 0.849 -5.133 81 2HB GLN 11 HB1 GLN 11 1.293 1.082 -3.615 82 1HG GLN 11 HG2 GLN 11 2.618 -0.936 -4.059 83 2HG GLN 11 HG1 GLN 11 1.791 -1.096 -5.629 84 1HE2 GLN 11 HE21 GLN 11 4.629 -0.695 -5.050 85 2HE2 GLN 11 HE22 GLN 11 5.092 0.782 -5.849 86 H PHE 12 HN PHE 12 0.178 0.248 -1.295 87 HA PHE 12 HA PHE 12 -2.240 1.896 -1.271 88 1HB PHE 12 HB2 PHE 12 -1.235 0.162 1.022 89 2HB PHE 12 HB1 PHE 12 -2.660 1.200 1.043 90 HD1 PHE 12 HD1 PHE 12 -4.665 0.600 -0.196 91 HD2 PHE 12 HD2 PHE 12 -1.272 -1.990 -0.037 92 HE1 PHE 12 HE1 PHE 12 -6.060 -1.285 -0.965 93 HE2 PHE 12 HE2 PHE 12 -2.676 -3.832 -0.837 94 HZ PHE 12 HZ PHE 12 -5.061 -3.499 -1.309 95 H GLN 13 HN GLN 13 -2.079 3.222 0.863 96 HA GLN 13 HA GLN 13 0.630 4.140 1.410 97 1HB GLN 13 HB2 GLN 13 -0.173 6.538 1.066 98 2HB GLN 13 HB1 GLN 13 0.088 5.610 -0.402 99 1HG GLN 13 HG2 GLN 13 -2.340 5.144 -0.493 100 2HG GLN 13 HG1 GLN 13 -2.562 6.222 0.898 101 1HE2 GLN 13 HE21 GLN 13 -3.860 7.580 -0.235 102 2HE2 GLN 13 HE22 GLN 13 -3.242 8.685 -1.417 103 H VAL 14 HN VAL 14 0.667 5.583 3.326 104 HA VAL 14 HA VAL 14 -1.516 4.891 5.157 105 HB VAL 14 HB VAL 14 1.213 6.097 5.705 106 1HG1 VAL 14 HG11 VAL 14 -0.878 5.077 7.616 107 2HG1 VAL 14 HG12 VAL 14 -0.426 6.770 7.374 108 3HG1 VAL 14 HG13 VAL 14 0.735 5.623 8.070 109 1HG2 VAL 14 HG21 VAL 14 1.389 3.782 4.926 110 2HG2 VAL 14 HG22 VAL 14 0.199 3.284 6.124 111 3HG2 VAL 14 HG23 VAL 14 1.774 3.893 6.645 112 H VAL 15 HN VAL 15 -2.979 6.405 5.742 113 HA VAL 15 HA VAL 15 -2.314 9.166 5.061 114 HB VAL 15 HB VAL 15 -4.767 9.565 4.853 115 1HG1 VAL 15 HG11 VAL 15 -3.378 9.215 2.870 116 2HG1 VAL 15 HG12 VAL 15 -4.984 8.526 2.645 117 3HG1 VAL 15 HG13 VAL 15 -3.617 7.461 3.009 118 1HG2 VAL 15 HG21 VAL 15 -4.903 6.553 5.021 119 2HG2 VAL 15 HG22 VAL 15 -6.240 7.601 4.534 120 3HG2 VAL 15 HG23 VAL 15 -5.585 7.708 6.183 121 H VAL 16 HN VAL 16 -2.851 10.789 6.461 122 HA VAL 16 HA VAL 16 -3.668 9.905 9.139 123 HB VAL 16 HB VAL 16 -1.293 10.483 9.151 124 1HG1 VAL 16 HG11 VAL 16 -0.536 12.760 8.711 125 2HG1 VAL 16 HG12 VAL 16 -2.170 13.203 8.221 126 3HG1 VAL 16 HG13 VAL 16 -1.257 12.022 7.279 127 1HG2 VAL 16 HG21 VAL 16 -2.524 10.915 11.174 128 2HG2 VAL 16 HG22 VAL 16 -3.008 12.496 10.599 129 3HG2 VAL 16 HG23 VAL 16 -1.314 12.174 10.953 130 H ASN 17 HN ASN 17 -5.249 10.978 10.122 131 HA ASN 17 HA ASN 17 -6.708 12.948 8.548 132 1HB ASN 17 HB2 ASN 17 -7.909 11.024 9.536 133 2HB ASN 17 HB1 ASN 17 -7.396 11.517 11.158 134 1HD2 ASN 17 HD21 ASN 17 -9.481 11.693 11.885 135 2HD2 ASN 17 HD22 ASN 17 -10.529 12.983 11.423 136 H HIS 18 HN HIS 18 -7.693 14.814 9.887 137 HA HIS 18 HA HIS 18 -5.569 16.285 11.105 138 1HB HIS 18 HB2 HIS 18 -7.611 17.845 11.766 139 2HB HIS 18 HB1 HIS 18 -6.975 17.769 10.115 140 HD1 HIS 18 HD1 HIS 18 -9.844 16.374 12.195 141 HD2 HIS 18 HD2 HIS 18 -8.805 17.079 8.224 142 HE1 HIS 18 HE1 HIS 18 -11.938 15.922 10.850 143 HE2 HIS 18 HE2 HIS 18 -11.234 16.173 8.435 144 H GLU 19 HN GLU 19 -7.494 13.875 12.325 145 HA GLU 19 HA GLU 19 -7.185 14.757 15.104 146 1HB GLU 19 HB2 GLU 19 -8.618 12.434 13.830 147 2HB GLU 19 HB1 GLU 19 -8.232 12.407 15.556 148 1HG GLU 19 HG2 GLU 19 -10.487 13.168 15.254 149 2HG GLU 19 HG1 GLU 19 -9.500 14.498 15.842 150 H GLU 20 HN GLU 20 -5.192 13.690 12.918 151 HA GLU 20 HA GLU 20 -3.280 12.554 12.777 152 1HB GLU 20 HB2 GLU 20 -1.757 12.585 14.634 153 2HB GLU 20 HB1 GLU 20 -2.592 14.127 14.518 154 1HG GLU 20 HG2 GLU 20 -3.995 13.531 16.386 155 2HG GLU 20 HG1 GLU 20 -3.270 11.917 16.460 156 H GLN 21 HN GLN 21 -5.501 10.960 12.807 157 HA GLN 21 HA GLN 21 -4.615 8.552 14.197 158 1HB GLN 21 HB2 GLN 21 -6.720 7.559 13.588 159 2HB GLN 21 HB1 GLN 21 -7.037 9.142 14.296 160 1HG GLN 21 HG2 GLN 21 -7.213 10.063 11.990 161 2HG GLN 21 HG1 GLN 21 -7.036 8.431 11.374 162 1HE2 GLN 21 HE21 GLN 21 -8.701 6.920 11.734 163 2HE2 GLN 21 HE22 GLN 21 -10.311 7.438 12.113 164 H TYR 22 HN TYR 22 -4.177 6.604 12.962 165 HA TYR 22 HA TYR 22 -3.165 7.372 10.306 166 1HB TYR 22 HB2 TYR 22 -2.130 5.181 12.101 167 2HB TYR 22 HB1 TYR 22 -1.391 5.737 10.603 168 HD1 TYR 22 HD1 TYR 22 -0.637 8.184 10.523 169 HD2 TYR 22 HD2 TYR 22 -1.532 6.150 14.162 170 HE1 TYR 22 HE1 TYR 22 0.655 9.868 11.771 171 HE2 TYR 22 HE2 TYR 22 -0.231 7.807 15.420 172 HH TYR 22 HH TYR 22 0.711 10.771 14.126 173 H SER 23 HN SER 23 -4.056 6.426 8.616 174 HA SER 23 HA SER 23 -5.380 3.825 8.929 175 1HB SER 23 HB2 SER 23 -6.543 6.238 7.469 176 2HB SER 23 HB1 SER 23 -7.266 4.620 7.516 177 HG SER 23 HG SER 23 -8.071 5.082 9.405 178 H ILE 24 HN ILE 24 -5.964 2.973 6.573 179 HA ILE 24 HA ILE 24 -3.617 3.542 4.899 180 HB ILE 24 HB ILE 24 -3.815 1.287 3.991 181 1HG1 ILE 24 HG12 ILE 24 -6.014 0.907 6.032 182 2HG1 ILE 24 HG11 ILE 24 -6.249 0.988 4.290 183 1HG2 ILE 24 HG21 ILE 24 -3.709 1.402 6.999 184 2HG2 ILE 24 HG22 ILE 24 -2.368 1.617 5.882 185 3HG2 ILE 24 HG23 ILE 24 -3.129 0.039 6.032 186 1HD1 ILE 24 HD11 ILE 24 -4.757 -1.126 5.808 187 2HD1 ILE 24 HD12 ILE 24 -4.916 -1.047 4.047 188 3HD1 ILE 24 HD13 ILE 24 -6.344 -1.311 5.052 189 H TRP 25 HN TRP 25 -3.923 3.627 2.641 190 HA TRP 25 HA TRP 25 -6.643 3.631 1.600 191 1HB TRP 25 HB2 TRP 25 -6.092 5.920 2.484 192 2HB TRP 25 HB1 TRP 25 -4.808 6.024 1.290 193 HD1 TRP 25 HD1 TRP 25 -5.468 6.856 -1.048 194 HE1 TRP 25 HE1 TRP 25 -7.682 7.509 -2.200 195 HE3 TRP 25 HE3 TRP 25 -8.742 5.172 2.500 196 HZ2 TRP 25 HZ2 TRP 25 -10.467 7.321 -1.654 197 HZ3 TRP 25 HZ3 TRP 25 -11.156 5.444 2.126 198 HH2 TRP 25 HH2 TRP 25 -12.005 6.503 0.088 199 HA PRO 26 HA PRO 26 -4.384 1.705 -1.741 200 1HB PRO 26 HB2 PRO 26 -6.643 2.543 -3.426 201 2HB PRO 26 HB1 PRO 26 -6.014 0.933 -3.119 202 1HG PRO 26 HG2 PRO 26 -8.334 1.685 -2.047 203 2HG PRO 26 HG1 PRO 26 -7.197 0.695 -1.112 204 1HD PRO 26 HD2 PRO 26 -7.692 3.647 -0.941 205 2HD PRO 26 HD1 PRO 26 -7.470 2.466 0.364 206 H GLU 27 HN GLU 27 -2.983 2.373 -3.293 207 HA GLU 27 HA GLU 27 -2.293 5.066 -3.526 208 1HB GLU 27 HB2 GLU 27 -0.681 3.299 -3.761 209 2HB GLU 27 HB1 GLU 27 -1.550 2.634 -5.149 210 1HG GLU 27 HG2 GLU 27 0.376 3.761 -5.965 211 2HG GLU 27 HG1 GLU 27 -1.019 4.761 -6.366 212 H TYR 28 HN TYR 28 -4.492 3.143 -5.331 213 HA TYR 28 HA TYR 28 -4.340 4.772 -7.731 214 1HB TYR 28 HB2 TYR 28 -6.319 2.552 -7.198 215 2HB TYR 28 HB1 TYR 28 -5.669 3.106 -8.747 216 HD1 TYR 28 HD1 TYR 28 -5.025 1.086 -5.782 217 HD2 TYR 28 HD2 TYR 28 -3.441 2.447 -9.484 218 HE1 TYR 28 HE1 TYR 28 -3.266 -0.587 -5.621 219 HE2 TYR 28 HE2 TYR 28 -1.656 0.776 -9.337 220 HH TYR 28 HH TYR 28 -0.516 -0.564 -7.714 221 H LYS 29 HN LYS 29 -5.893 5.119 -4.817 222 HA LYS 29 HA LYS 29 -8.281 6.308 -6.080 223 1HB LYS 29 HB2 LYS 29 -7.910 5.349 -3.229 224 2HB LYS 29 HB1 LYS 29 -9.381 6.077 -3.881 225 1HG LYS 29 HG2 LYS 29 -9.598 4.219 -5.454 226 2HG LYS 29 HG1 LYS 29 -8.119 3.497 -4.801 227 1HD LYS 29 HD2 LYS 29 -9.279 3.443 -2.572 228 2HD LYS 29 HD1 LYS 29 -10.749 3.936 -3.390 229 1HE LYS 29 HE2 LYS 29 -9.167 1.460 -4.070 230 2HE LYS 29 HE1 LYS 29 -10.567 1.476 -2.996 231 1HZ LYS 29 HZ1 LYS 29 -11.905 2.340 -4.869 232 2HZ LYS 29 HZ2 LYS 29 -11.224 0.831 -5.196 233 3HZ LYS 29 HZ3 LYS 29 -10.542 2.217 -5.882 234 H GLU 30 HN GLU 30 -8.857 8.392 -5.583 235 HA GLU 30 HA GLU 30 -6.866 10.183 -4.589 236 1HB GLU 30 HB2 GLU 30 -8.489 10.874 -6.295 237 2HB GLU 30 HB1 GLU 30 -9.826 10.557 -5.182 238 1HG GLU 30 HG2 GLU 30 -8.905 12.339 -3.691 239 2HG GLU 30 HG1 GLU 30 -7.724 12.710 -4.951 240 H ILE 31 HN ILE 31 -6.686 11.145 -2.590 241 HA ILE 31 HA ILE 31 -7.950 9.813 -0.380 242 HB ILE 31 HB ILE 31 -6.236 12.299 -0.336 243 1HG1 ILE 31 HG12 ILE 31 -5.358 9.425 -0.101 244 2HG1 ILE 31 HG11 ILE 31 -5.088 10.446 -1.509 245 1HG2 ILE 31 HG21 ILE 31 -6.839 10.250 1.773 246 2HG2 ILE 31 HG22 ILE 31 -7.413 11.915 1.732 247 3HG2 ILE 31 HG23 ILE 31 -5.698 11.568 1.939 248 1HD1 ILE 31 HD11 ILE 31 -3.986 10.902 1.266 249 2HD1 ILE 31 HD12 ILE 31 -3.698 11.931 -0.139 250 3HD1 ILE 31 HD13 ILE 31 -3.082 10.268 -0.125 251 HA PRO 32 HA PRO 32 -11.459 12.544 0.070 252 1HB PRO 32 HB2 PRO 32 -11.141 11.828 2.951 253 2HB PRO 32 HB1 PRO 32 -12.555 11.682 1.905 254 1HG PRO 32 HG2 PRO 32 -11.158 9.516 2.628 255 2HG PRO 32 HG1 PRO 32 -11.868 9.671 0.999 256 1HD PRO 32 HD2 PRO 32 -9.049 10.037 1.892 257 2HD PRO 32 HD1 PRO 32 -9.660 9.293 0.411 258 H GLN 33 HN GLN 33 -11.659 14.686 0.636 259 HA GLN 33 HA GLN 33 -9.336 16.082 1.319 260 1HB GLN 33 HB2 GLN 33 -10.876 18.078 1.471 261 2HB GLN 33 HB1 GLN 33 -10.935 17.181 -0.044 262 1HG GLN 33 HG2 GLN 33 -12.984 16.061 0.708 263 2HG GLN 33 HG1 GLN 33 -12.930 16.976 2.201 264 1HE2 GLN 33 HE21 GLN 33 -14.934 16.886 0.060 265 2HE2 GLN 33 HE22 GLN 33 -15.142 18.531 -0.462 266 H GLY 34 HN GLY 34 -8.472 16.510 3.231 267 1HA GLY 34 HA2 GLY 34 -8.943 17.306 5.543 268 2HA GLY 34 HA1 GLY 34 -10.118 15.990 5.624 269 H TRP 35 HN TRP 35 -7.974 14.483 3.888 270 HA TRP 35 HA TRP 35 -6.285 13.694 6.150 271 1HB TRP 35 HB2 TRP 35 -7.221 12.039 3.799 272 2HB TRP 35 HB1 TRP 35 -6.140 11.483 5.066 273 HD1 TRP 35 HD1 TRP 35 -9.768 12.905 4.892 274 HE1 TRP 35 HE1 TRP 35 -11.204 11.591 6.568 275 HE3 TRP 35 HE3 TRP 35 -6.145 9.866 6.794 276 HZ2 TRP 35 HZ2 TRP 35 -10.837 9.522 8.468 277 HZ3 TRP 35 HZ3 TRP 35 -6.770 8.236 8.537 278 HH2 TRP 35 HH2 TRP 35 -9.070 8.067 9.351 279 H ARG 36 HN ARG 36 -4.121 12.932 5.475 280 HA ARG 36 HA ARG 36 -3.345 13.639 2.743 281 1HB ARG 36 HB2 ARG 36 -1.383 14.845 3.414 282 2HB ARG 36 HB1 ARG 36 -2.770 15.571 4.225 283 1HG ARG 36 HG2 ARG 36 -2.187 14.659 6.302 284 2HG ARG 36 HG1 ARG 36 -1.036 13.528 5.561 285 1HD ARG 36 HD2 ARG 36 0.279 15.540 4.805 286 2HD ARG 36 HD1 ARG 36 -0.767 16.523 5.831 287 HE ARG 36 HE ARG 36 0.074 15.281 7.748 288 1HH1 ARG 36 HH11 ARG 36 1.851 14.922 4.736 289 2HH1 ARG 36 HH12 ARG 36 3.313 14.398 5.529 290 1HH2 ARG 36 HH21 ARG 36 2.006 14.545 8.765 291 2HH2 ARG 36 HH22 ARG 36 3.397 14.183 7.791 292 H ALA 37 HN ALA 37 -1.256 12.666 2.149 293 HA ALA 37 HA ALA 37 -1.049 10.020 3.209 294 1HB ALA 37 HB1 ALA 37 0.569 11.357 1.047 295 2HB ALA 37 HB2 ALA 37 -0.873 10.369 0.804 296 3HB ALA 37 HB3 ALA 37 0.599 9.636 1.451 297 H ALA 38 HN ALA 38 0.648 9.125 4.330 298 HA ALA 38 HA ALA 38 2.919 10.793 5.053 299 1HB ALA 38 HB1 ALA 38 2.549 10.527 7.446 300 2HB ALA 38 HB2 ALA 38 1.011 9.723 7.134 301 3HB ALA 38 HB3 ALA 38 1.224 11.424 6.705 302 H GLY 39 HN GLY 39 4.550 9.545 6.315 303 1HA GLY 39 HA2 GLY 39 5.670 7.613 6.885 304 2HA GLY 39 HA1 GLY 39 4.189 6.713 6.637 305 H LYS 40 HN LYS 40 4.433 5.181 5.213 306 HA LYS 40 HA LYS 40 6.053 5.741 2.799 307 1HB LYS 40 HB2 LYS 40 7.297 4.260 4.379 308 2HB LYS 40 HB1 LYS 40 5.952 3.115 4.316 309 1HG LYS 40 HG2 LYS 40 6.334 2.947 1.844 310 2HG LYS 40 HG1 LYS 40 7.803 3.906 2.082 311 1HD LYS 40 HD2 LYS 40 8.607 2.176 3.680 312 2HD LYS 40 HD1 LYS 40 7.189 1.198 3.289 313 1HE LYS 40 HE2 LYS 40 9.323 2.107 1.348 314 2HE LYS 40 HE1 LYS 40 9.136 0.482 2.020 315 1HZ LYS 40 HZ1 LYS 40 7.026 1.812 0.415 316 2HZ LYS 40 HZ2 LYS 40 7.105 0.172 0.865 317 3HZ LYS 40 HZ3 LYS 40 8.200 0.802 -0.267 318 H SER 41 HN SER 41 5.289 4.934 0.886 319 HA SER 41 HA SER 41 2.635 3.635 0.940 320 1HB SER 41 HB2 SER 41 4.121 4.907 -1.383 321 2HB SER 41 HB1 SER 41 2.437 4.333 -1.390 322 HG SER 41 HG SER 41 2.324 6.508 -1.027 323 H GLY 42 HN GLY 42 2.300 1.689 -0.222 324 1HA GLY 42 HA2 GLY 42 4.018 0.267 -1.794 325 2HA GLY 42 HA1 GLY 42 4.580 -0.027 -0.154 326 H LEU 43 HN LEU 43 4.003 -2.182 -0.085 327 HA LEU 43 HA LEU 43 1.398 -3.094 -0.880 328 1HB LEU 43 HB2 LEU 43 3.602 -4.427 0.694 329 2HB LEU 43 HB1 LEU 43 2.092 -5.225 0.293 330 HG LEU 43 HG LEU 43 3.705 -5.987 -1.266 331 1HD1 LEU 43 HD11 LEU 43 1.547 -5.461 -2.251 332 2HD1 LEU 43 HD12 LEU 43 2.854 -5.195 -3.405 333 3HD1 LEU 43 HD13 LEU 43 2.096 -3.824 -2.601 334 1HD2 LEU 43 HD21 LEU 43 5.041 -4.455 -2.651 335 2HD2 LEU 43 HD22 LEU 43 5.420 -4.338 -0.925 336 3HD2 LEU 43 HD23 LEU 43 4.427 -3.100 -1.697 337 H LYS 44 HN LYS 44 0.016 -4.358 0.699 338 HA LYS 44 HA LYS 44 -0.926 -2.649 2.677 339 1HB LYS 44 HB2 LYS 44 -2.409 -4.231 1.608 340 2HB LYS 44 HB1 LYS 44 -1.457 -5.569 2.227 341 1HG LYS 44 HG2 LYS 44 -2.159 -5.132 4.467 342 2HG LYS 44 HG1 LYS 44 -2.916 -3.617 3.977 343 1HD LYS 44 HD2 LYS 44 -4.612 -5.328 4.307 344 2HD LYS 44 HD1 LYS 44 -4.510 -4.867 2.608 345 1HE LYS 44 HE2 LYS 44 -4.717 -7.260 2.762 346 2HE LYS 44 HE1 LYS 44 -3.098 -6.851 2.207 347 1HZ LYS 44 HZ1 LYS 44 -3.723 -7.410 5.037 348 2HZ LYS 44 HZ2 LYS 44 -2.197 -7.339 4.309 349 3HZ LYS 44 HZ3 LYS 44 -3.242 -8.619 3.955 350 H LYS 45 HN LYS 45 1.085 -5.556 2.887 351 HA LYS 45 HA LYS 45 1.210 -5.660 5.675 352 1HB LYS 45 HB2 LYS 45 3.388 -6.881 5.288 353 2HB LYS 45 HB1 LYS 45 1.969 -7.564 4.522 354 1HG LYS 45 HG2 LYS 45 3.488 -7.751 2.814 355 2HG LYS 45 HG1 LYS 45 2.795 -6.162 2.462 356 1HD LYS 45 HD2 LYS 45 4.664 -5.076 3.562 357 2HD LYS 45 HD1 LYS 45 5.315 -6.643 4.033 358 1HE LYS 45 HE2 LYS 45 4.986 -5.636 1.211 359 2HE LYS 45 HE1 LYS 45 6.494 -5.765 2.093 360 1HZ LYS 45 HZ1 LYS 45 6.221 -7.628 0.603 361 2HZ LYS 45 HZ2 LYS 45 4.730 -8.025 1.310 362 3HZ LYS 45 HZ3 LYS 45 6.175 -8.188 2.209 363 H ASP 46 HN ASP 46 2.997 -3.640 3.410 364 HA ASP 46 HA ASP 46 4.900 -2.696 5.233 365 1HB ASP 46 HB2 ASP 46 3.791 -1.446 2.719 366 2HB ASP 46 HB1 ASP 46 5.101 -0.732 3.654 367 H CYS 47 HN CYS 47 1.666 -1.728 4.386 368 HA CYS 47 HA CYS 47 1.657 0.697 5.840 369 1HB CYS 47 HB2 CYS 47 -0.626 -1.032 4.845 370 2HB CYS 47 HB1 CYS 47 -0.754 0.643 5.373 371 HG CYS 47 HG CYS 47 0.840 -0.514 2.576 372 H LEU 48 HN LEU 48 0.512 -2.600 6.459 373 HA LEU 48 HA LEU 48 -0.690 -2.186 8.919 374 1HB LEU 48 HB2 LEU 48 0.804 -4.613 7.980 375 2HB LEU 48 HB1 LEU 48 -0.346 -4.579 9.295 376 HG LEU 48 HG LEU 48 -0.935 -4.175 6.380 377 1HD1 LEU 48 HD11 LEU 48 -0.577 -6.482 6.976 378 2HD1 LEU 48 HD12 LEU 48 -2.287 -6.201 6.652 379 3HD1 LEU 48 HD13 LEU 48 -1.695 -6.349 8.305 380 1HD2 LEU 48 HD21 LEU 48 -2.779 -4.000 8.734 381 2HD2 LEU 48 HD22 LEU 48 -3.281 -4.033 7.055 382 3HD2 LEU 48 HD23 LEU 48 -2.312 -2.687 7.671 383 H ALA 49 HN ALA 49 2.587 -3.230 8.170 384 HA ALA 49 HA ALA 49 3.604 -3.361 10.742 385 1HB ALA 49 HB1 ALA 49 4.771 -4.229 8.786 386 2HB ALA 49 HB2 ALA 49 5.811 -3.181 9.744 387 3HB ALA 49 HB3 ALA 49 5.104 -2.595 8.233 388 H TYR 50 HN TYR 50 3.553 -0.623 8.506 389 HA TYR 50 HA TYR 50 4.992 1.159 10.027 390 1HB TYR 50 HB2 TYR 50 4.451 1.574 7.681 391 2HB TYR 50 HB1 TYR 50 2.737 1.794 8.128 392 HD1 TYR 50 HD1 TYR 50 6.146 3.171 8.708 393 HD2 TYR 50 HD2 TYR 50 1.949 3.893 8.827 394 HE1 TYR 50 HE1 TYR 50 6.570 5.555 9.211 395 HE2 TYR 50 HE2 TYR 50 2.356 6.253 9.326 396 HH TYR 50 HH TYR 50 5.462 7.684 9.044 397 H ILE 51 HN ILE 51 1.455 0.704 9.976 398 HA ILE 51 HA ILE 51 0.899 2.826 11.746 399 HB ILE 51 HB ILE 51 -0.649 0.497 10.740 400 1HG1 ILE 51 HG12 ILE 51 -2.247 2.292 10.128 401 2HG1 ILE 51 HG11 ILE 51 -1.137 3.475 10.825 402 1HG2 ILE 51 HG21 ILE 51 -2.588 1.078 12.144 403 2HG2 ILE 51 HG22 ILE 51 -1.553 2.156 13.086 404 3HG2 ILE 51 HG23 ILE 51 -1.238 0.420 13.064 405 1HD1 ILE 51 HD11 ILE 51 0.543 2.813 9.175 406 2HD1 ILE 51 HD12 ILE 51 -0.942 3.393 8.417 407 3HD1 ILE 51 HD13 ILE 51 -0.602 1.663 8.506 408 H GLU 52 HN GLU 52 1.693 -0.544 12.259 409 HA GLU 52 HA GLU 52 1.028 -0.734 14.951 410 1HB GLU 52 HB2 GLU 52 1.962 -2.478 13.195 411 2HB GLU 52 HB1 GLU 52 3.489 -2.108 13.992 412 1HG GLU 52 HG2 GLU 52 2.460 -4.033 15.001 413 2HG GLU 52 HG1 GLU 52 2.480 -2.685 16.148 414 H GLU 53 HN GLU 53 4.007 0.363 13.414 415 HA GLU 53 HA GLU 53 5.701 0.482 15.532 416 1HB GLU 53 HB2 GLU 53 5.610 2.546 13.351 417 2HB GLU 53 HB1 GLU 53 7.006 2.168 14.359 418 1HG GLU 53 HG2 GLU 53 5.665 0.290 12.422 419 2HG GLU 53 HG1 GLU 53 7.137 1.196 12.106 420 H VAL 54 HN VAL 54 3.840 4.044 16.279 421 HA VAL 54 HA VAL 54 3.545 2.796 13.658 422 HB VAL 54 HB VAL 54 1.534 3.915 14.478 423 1HG1 VAL 54 HG11 VAL 54 2.566 5.414 16.061 424 2HG1 VAL 54 HG12 VAL 54 1.487 6.300 14.977 425 3HG1 VAL 54 HG13 VAL 54 3.231 6.375 14.737 426 1HG2 VAL 54 HG21 VAL 54 2.054 4.098 12.055 427 2HG2 VAL 54 HG22 VAL 54 2.744 5.687 12.366 428 3HG2 VAL 54 HG23 VAL 54 1.029 5.394 12.655 429 H TRP 55 HN TRP 55 5.149 5.475 15.218 430 HA TRP 55 HA TRP 55 7.061 5.296 13.025 431 1HB TRP 55 HB2 TRP 55 6.210 7.623 13.684 432 2HB TRP 55 HB1 TRP 55 7.048 7.387 15.214 433 HD1 TRP 55 HD1 TRP 55 9.457 8.289 15.264 434 HE1 TRP 55 HE1 TRP 55 11.235 8.868 13.496 435 HE3 TRP 55 HE3 TRP 55 6.979 6.777 11.047 436 HZ2 TRP 55 HZ2 TRP 55 11.566 8.699 10.713 437 HZ3 TRP 55 HZ3 TRP 55 8.088 7.028 8.870 438 HH2 TRP 55 HH2 TRP 55 10.327 7.965 8.711 439 H THR 56 HN THR 56 9.326 5.016 13.826 440 HA THR 56 HA THR 56 9.460 3.838 16.430 441 HB THR 56 HB THR 56 8.742 1.936 15.089 442 HG1 THR 56 HG1 THR 56 10.048 1.099 16.546 443 1HG2 THR 56 HG21 THR 56 9.579 2.699 12.907 444 2HG2 THR 56 HG22 THR 56 10.092 1.053 13.278 445 3HG2 THR 56 HG23 THR 56 11.227 2.397 13.448 446 H ASP 57 HN ASP 57 11.402 4.047 17.335 447 HA ASP 57 HA ASP 57 13.749 4.601 15.654 448 1HB ASP 57 HB2 ASP 57 12.956 6.803 16.271 449 2HB ASP 57 HB1 ASP 57 12.770 6.327 17.954 450 H MET 58 HN MET 58 12.375 3.798 18.822 451 HA MET 58 HA MET 58 14.951 2.830 19.792 452 1HB MET 58 HB2 MET 58 12.202 2.815 21.056 453 2HB MET 58 HB1 MET 58 13.670 2.230 21.829 454 1HG MET 58 HG2 MET 58 14.617 4.506 21.642 455 2HG MET 58 HG1 MET 58 13.081 5.053 20.987 456 1HE MET 58 HE1 MET 58 13.646 2.379 23.792 457 2HE MET 58 HE2 MET 58 13.540 3.363 25.241 458 3HE MET 58 HE3 MET 58 14.901 3.555 24.149 459 H ARG 59 HN ARG 59 11.720 1.519 19.040 460 HA ARG 59 HA ARG 59 12.878 -1.053 18.475 461 1HB ARG 59 HB2 ARG 59 12.628 -1.045 20.946 462 2HB ARG 59 HB1 ARG 59 10.901 -0.707 20.741 463 1HG ARG 59 HG2 ARG 59 10.608 -2.851 19.632 464 2HG ARG 59 HG1 ARG 59 12.326 -3.183 19.764 465 1HD ARG 59 HD2 ARG 59 10.378 -2.849 22.024 466 2HD ARG 59 HD1 ARG 59 11.179 -4.343 21.527 467 HE ARG 59 HE ARG 59 13.247 -2.682 22.090 468 1HH1 ARG 59 HH11 ARG 59 10.417 -3.626 23.871 469 2HH1 ARG 59 HH12 ARG 59 11.159 -3.411 25.430 470 1HH2 ARG 59 HH21 ARG 59 14.251 -2.386 24.095 471 2HH2 ARG 59 HH22 ARG 59 13.369 -2.705 25.557 472 HA PRO 60 HA PRO 60 9.196 -0.923 15.916 473 1HB PRO 60 HB2 PRO 60 9.683 -3.201 14.540 474 2HB PRO 60 HB1 PRO 60 10.539 -1.685 14.188 475 1HG PRO 60 HG2 PRO 60 11.458 -4.067 15.714 476 2HG PRO 60 HG1 PRO 60 12.366 -3.027 14.619 477 1HD PRO 60 HD2 PRO 60 12.467 -2.882 17.363 478 2HD PRO 60 HD1 PRO 60 12.866 -1.542 16.265 479 H LEU 61 HN LEU 61 7.621 -1.281 17.494 480 HA LEU 61 HA LEU 61 7.411 -3.752 18.877 481 1HB LEU 61 HB2 LEU 61 5.220 -2.838 19.669 482 2HB LEU 61 HB1 LEU 61 6.657 -1.931 20.094 483 HG LEU 61 HG LEU 61 5.253 -1.070 17.631 484 1HD1 LEU 61 HD11 LEU 61 3.605 0.207 18.949 485 2HD1 LEU 61 HD12 LEU 61 4.105 -0.677 20.386 486 3HD1 LEU 61 HD13 LEU 61 3.349 -1.531 19.040 487 1HD2 LEU 61 HD21 LEU 61 5.850 1.120 18.487 488 2HD2 LEU 61 HD22 LEU 61 7.261 0.059 18.521 489 3HD2 LEU 61 HD23 LEU 61 6.378 0.410 20.013 490 H SER 62 HN SER 62 6.662 -3.024 15.750 491 HA SER 62 HA SER 62 4.409 -4.622 15.307 492 1HB SER 62 HB2 SER 62 5.627 -4.976 13.017 493 2HB SER 62 HB1 SER 62 5.078 -3.356 13.460 494 HG SER 62 HG SER 62 7.099 -2.726 13.799 495 H LEU 63 HN LEU 63 7.410 -5.411 16.565 496 HA LEU 63 HA LEU 63 7.806 -8.035 15.689 497 1HB LEU 63 HB2 LEU 63 9.092 -8.360 17.743 498 2HB LEU 63 HB1 LEU 63 9.511 -6.862 16.944 499 HG LEU 63 HG LEU 63 7.816 -5.779 18.647 500 1HD1 LEU 63 HD11 LEU 63 8.626 -8.275 20.129 501 2HD1 LEU 63 HD12 LEU 63 7.010 -7.910 19.567 502 3HD1 LEU 63 HD13 LEU 63 7.760 -6.893 20.801 503 1HD2 LEU 63 HD21 LEU 63 10.195 -5.273 18.567 504 2HD2 LEU 63 HD22 LEU 63 10.548 -6.770 19.459 505 3HD2 LEU 63 HD23 LEU 63 9.651 -5.478 20.231 506 H ARG 64 HN ARG 64 5.448 -6.715 17.856 507 HA ARG 64 HA ARG 64 4.781 -9.163 19.148 508 1HB ARG 64 HB2 ARG 64 2.875 -8.004 20.050 509 2HB ARG 64 HB1 ARG 64 4.267 -6.918 20.100 510 1HG ARG 64 HG2 ARG 64 3.421 -5.778 18.098 511 2HG ARG 64 HG1 ARG 64 2.018 -6.848 18.088 512 1HD ARG 64 HD2 ARG 64 1.331 -6.024 20.238 513 2HD ARG 64 HD1 ARG 64 2.756 -5.024 20.357 514 HE ARG 64 HE ARG 64 1.274 -4.386 18.044 515 1HH1 ARG 64 HH11 ARG 64 1.251 -3.978 21.499 516 2HH1 ARG 64 HH12 ARG 64 0.361 -2.489 21.478 517 1HH2 ARG 64 HH21 ARG 64 0.070 -2.455 17.960 518 2HH2 ARG 64 HH22 ARG 64 -0.334 -1.618 19.436 519 H GLN 65 HN GLN 65 4.119 -7.828 16.074 520 HA GLN 65 HA GLN 65 1.809 -9.542 15.632 521 1HB GLN 65 HB2 GLN 65 3.331 -7.791 13.710 522 2HB GLN 65 HB1 GLN 65 1.812 -8.606 13.360 523 1HG GLN 65 HG2 GLN 65 2.233 -6.459 15.438 524 2HG GLN 65 HG1 GLN 65 1.485 -6.232 13.848 525 1HE2 GLN 65 HE21 GLN 65 -0.407 -5.483 14.781 526 2HE2 GLN 65 HE22 GLN 65 -1.541 -6.554 15.567 527 H HIS 66 HN HIS 66 5.049 -10.022 15.795 528 HA HIS 66 HA HIS 66 5.268 -12.020 13.719 529 1HB HIS 66 HB2 HIS 66 7.052 -11.442 16.116 530 2HB HIS 66 HB1 HIS 66 7.409 -12.617 14.851 531 HD1 HIS 66 HD1 HIS 66 9.337 -10.279 15.420 532 HD2 HIS 66 HD2 HIS 66 6.339 -10.200 12.523 533 HE1 HIS 66 HE1 HIS 66 10.061 -8.579 13.708 534 HE2 HIS 66 HE2 HIS 66 8.326 -8.699 11.881 535 H MET 67 HN MET 67 4.130 -11.728 16.933 536 HA MET 67 HA MET 67 4.130 -14.506 17.612 537 1HB MET 67 HB2 MET 67 2.382 -12.281 18.667 538 2HB MET 67 HB1 MET 67 2.577 -13.870 19.398 539 1HG MET 67 HG2 MET 67 4.712 -11.777 19.079 540 2HG MET 67 HG1 MET 67 3.840 -12.142 20.578 541 1HE MET 67 HE1 MET 67 6.092 -12.493 21.917 542 2HE MET 67 HE2 MET 67 6.988 -12.075 20.461 543 3HE MET 67 HE3 MET 67 7.413 -13.523 21.357 544 H ASP 68 HN ASP 68 1.916 -12.259 16.092 545 HA ASP 68 HA ASP 68 -0.230 -14.056 15.752 546 1HB ASP 68 HB2 ASP 68 -0.688 -11.750 15.490 547 2HB ASP 68 HB1 ASP 68 0.581 -11.550 14.290 548 H LYS 69 HN LYS 69 1.808 -12.790 13.112 549 HA LYS 69 HA LYS 69 2.318 -15.490 12.208 550 1HB LYS 69 HB2 LYS 69 0.781 -13.482 10.575 551 2HB LYS 69 HB1 LYS 69 1.648 -14.820 9.822 552 1HG LYS 69 HG2 LYS 69 -0.510 -15.147 11.902 553 2HG LYS 69 HG1 LYS 69 -0.759 -15.256 10.143 554 1HD LYS 69 HD2 LYS 69 0.746 -17.137 10.043 555 2HD LYS 69 HD1 LYS 69 1.154 -16.980 11.744 556 1HE LYS 69 HE2 LYS 69 -1.607 -17.550 10.702 557 2HE LYS 69 HE1 LYS 69 -0.490 -18.798 11.245 558 1HZ LYS 69 HZ1 LYS 69 -1.680 -16.629 12.904 559 2HZ LYS 69 HZ2 LYS 69 -0.433 -17.663 13.428 560 3HZ LYS 69 HZ3 LYS 69 -1.954 -18.301 13.019 561 H ALA 70 HN ALA 70 2.588 -12.279 10.645 562 HA ALA 70 HA ALA 70 5.499 -12.445 10.795 563 1HB ALA 70 HB1 ALA 70 4.902 -13.836 8.851 564 2HB ALA 70 HB2 ALA 70 5.827 -12.392 8.413 565 3HB ALA 70 HB3 ALA 70 4.084 -12.450 8.144 566 H ALA 71 HN ALA 71 3.291 -10.582 11.644 567 HA ALA 71 HA ALA 71 3.067 -8.337 11.925 568 1HB ALA 71 HB1 ALA 71 4.930 -6.853 11.410 569 2HB ALA 71 HB2 ALA 71 5.686 -8.124 10.436 570 3HB ALA 71 HB3 ALA 71 5.510 -8.320 12.177 571 H GLY 72 HN GLY 72 2.137 -9.765 9.459 572 1HA GLY 72 HA2 GLY 72 1.269 -7.352 8.096 573 2HA GLY 72 HA1 GLY 72 2.230 -8.466 7.114 Start of MODEL 2 1 1H MET 1 HT1 MET 1 13.320 -2.338 -4.625 2 2H MET 1 HT2 MET 1 13.988 -3.849 -4.921 3 3H MET 1 HT3 MET 1 14.080 -3.180 -3.379 4 HA MET 1 HA MET 1 12.419 -4.867 -3.376 5 1HB MET 1 HB2 MET 1 11.215 -2.090 -3.398 6 2HB MET 1 HB1 MET 1 10.424 -3.514 -2.747 7 1HG MET 1 HG2 MET 1 12.979 -2.281 -1.763 8 2HG MET 1 HG1 MET 1 11.398 -2.203 -0.979 9 1HE MET 1 HE1 MET 1 12.485 -3.096 1.297 10 2HE MET 1 HE2 MET 1 14.048 -3.128 0.488 11 3HE MET 1 HE3 MET 1 13.482 -4.540 1.390 12 H THR 2 HN THR 2 11.089 -6.104 -4.522 13 HA THR 2 HA THR 2 9.937 -4.997 -7.001 14 HB THR 2 HB THR 2 11.217 -7.734 -6.840 15 HG1 THR 2 HG1 THR 2 12.193 -5.274 -7.944 16 1HG2 THR 2 HG21 THR 2 10.972 -7.670 -9.305 17 2HG2 THR 2 HG22 THR 2 10.136 -6.120 -9.169 18 3HG2 THR 2 HG23 THR 2 9.423 -7.570 -8.474 19 H SER 3 HN SER 3 7.815 -5.173 -6.771 20 HA SER 3 HA SER 3 6.570 -7.235 -5.210 21 1HB SER 3 HB2 SER 3 5.224 -5.399 -7.200 22 2HB SER 3 HB1 SER 3 4.487 -6.196 -5.811 23 HG SER 3 HG SER 3 5.487 -3.796 -5.820 24 H VAL 4 HN VAL 4 7.252 -9.165 -6.102 25 HA VAL 4 HA VAL 4 7.494 -9.771 -8.781 26 HB VAL 4 HB VAL 4 8.510 -11.232 -7.179 27 1HG1 VAL 4 HG11 VAL 4 5.760 -12.033 -6.276 28 2HG1 VAL 4 HG12 VAL 4 6.854 -10.978 -5.376 29 3HG1 VAL 4 HG13 VAL 4 7.280 -12.673 -5.672 30 1HG2 VAL 4 HG21 VAL 4 7.809 -13.447 -7.994 31 2HG2 VAL 4 HG22 VAL 4 7.939 -12.251 -9.304 32 3HG2 VAL 4 HG23 VAL 4 6.355 -12.720 -8.685 33 H PHE 5 HN PHE 5 4.702 -10.478 -6.732 34 HA PHE 5 HA PHE 5 2.788 -9.934 -8.656 35 1HB PHE 5 HB2 PHE 5 3.861 -12.031 -9.690 36 2HB PHE 5 HB1 PHE 5 3.139 -12.926 -8.346 37 HD1 PHE 5 HD1 PHE 5 0.875 -13.554 -8.437 38 HD2 PHE 5 HD2 PHE 5 2.390 -10.769 -11.261 39 HE1 PHE 5 HE1 PHE 5 -1.232 -13.733 -9.735 40 HE2 PHE 5 HE2 PHE 5 0.297 -10.905 -12.537 41 HZ PHE 5 HZ PHE 5 -1.520 -12.395 -11.772 42 H ASP 6 HN ASP 6 1.909 -8.996 -6.823 43 HA ASP 6 HA ASP 6 0.847 -10.876 -4.831 44 1HB ASP 6 HB2 ASP 6 1.360 -7.897 -4.737 45 2HB ASP 6 HB1 ASP 6 0.369 -8.721 -3.518 46 H ARG 7 HN ARG 7 -1.238 -11.341 -4.864 47 HA ARG 7 HA ARG 7 -2.928 -9.920 -6.783 48 1HB ARG 7 HB2 ARG 7 -3.402 -12.471 -5.192 49 2HB ARG 7 HB1 ARG 7 -4.555 -11.782 -6.322 50 1HG ARG 7 HG2 ARG 7 -3.034 -12.103 -8.130 51 2HG ARG 7 HG1 ARG 7 -1.779 -12.653 -7.031 52 1HD ARG 7 HD2 ARG 7 -3.085 -14.592 -6.449 53 2HD ARG 7 HD1 ARG 7 -4.432 -14.027 -7.430 54 HE ARG 7 HE ARG 7 -3.009 -14.369 -9.389 55 1HH1 ARG 7 HH11 ARG 7 -2.091 -15.990 -6.439 56 2HH1 ARG 7 HH12 ARG 7 -1.160 -17.214 -7.252 57 1HH2 ARG 7 HH21 ARG 7 -1.838 -15.995 -10.467 58 2HH2 ARG 7 HH22 ARG 7 -1.045 -17.238 -9.547 59 H ASP 8 HN ASP 8 -2.997 -10.882 -3.377 60 HA ASP 8 HA ASP 8 -5.323 -9.238 -2.875 61 1HB ASP 8 HB2 ASP 8 -5.207 -11.390 -1.753 62 2HB ASP 8 HB1 ASP 8 -3.644 -10.966 -1.055 63 H ASP 9 HN ASP 9 -1.895 -9.288 -2.069 64 HA ASP 9 HA ASP 9 -2.112 -6.892 -0.460 65 1HB ASP 9 HB2 ASP 9 -0.471 -8.860 -0.084 66 2HB ASP 9 HB1 ASP 9 0.487 -8.106 -1.360 67 H ILE 10 HN ILE 10 -2.865 -5.389 -1.989 68 HA ILE 10 HA ILE 10 -1.278 -4.885 -4.363 69 HB ILE 10 HB ILE 10 -3.069 -3.242 -4.908 70 1HG1 ILE 10 HG12 ILE 10 -4.357 -4.367 -2.415 71 2HG1 ILE 10 HG11 ILE 10 -3.763 -2.723 -2.596 72 1HG2 ILE 10 HG21 ILE 10 -4.790 -4.925 -5.369 73 2HG2 ILE 10 HG22 ILE 10 -3.982 -6.034 -4.264 74 3HG2 ILE 10 HG23 ILE 10 -3.179 -5.520 -5.740 75 1HD1 ILE 10 HD11 ILE 10 -6.175 -2.799 -2.810 76 2HD1 ILE 10 HD12 ILE 10 -6.039 -3.937 -4.139 77 3HD1 ILE 10 HD13 ILE 10 -5.448 -2.298 -4.325 78 H GLN 11 HN GLN 11 -1.847 -2.054 -4.509 79 HA GLN 11 HA GLN 11 0.344 -1.233 -2.764 80 1HB GLN 11 HB2 GLN 11 -0.720 -0.139 -5.344 81 2HB GLN 11 HB1 GLN 11 0.336 0.823 -4.319 82 1HG GLN 11 HG2 GLN 11 1.655 -0.169 -6.008 83 2HG GLN 11 HG1 GLN 11 2.034 -0.996 -4.488 84 1HE2 GLN 11 HE21 GLN 11 1.510 -3.138 -4.255 85 2HE2 GLN 11 HE22 GLN 11 0.986 -4.131 -5.575 86 H PHE 12 HN PHE 12 -0.016 -0.047 -1.094 87 HA PHE 12 HA PHE 12 -2.444 1.597 -0.957 88 1HB PHE 12 HB2 PHE 12 -1.264 -0.261 1.093 89 2HB PHE 12 HB1 PHE 12 -2.208 1.125 1.593 90 HD1 PHE 12 HD1 PHE 12 -4.584 1.151 1.348 91 HD2 PHE 12 HD2 PHE 12 -2.290 -2.096 -0.178 92 HE1 PHE 12 HE1 PHE 12 -6.640 -0.158 1.085 93 HE2 PHE 12 HE2 PHE 12 -4.344 -3.413 -0.491 94 HZ PHE 12 HZ PHE 12 -6.527 -2.450 0.156 95 H GLN 13 HN GLN 13 -2.206 3.109 0.988 96 HA GLN 13 HA GLN 13 0.474 4.010 1.556 97 1HB GLN 13 HB2 GLN 13 -0.132 6.376 1.018 98 2HB GLN 13 HB1 GLN 13 0.011 5.345 -0.398 99 1HG GLN 13 HG2 GLN 13 -2.424 5.103 -0.437 100 2HG GLN 13 HG1 GLN 13 -2.557 6.201 0.940 101 1HE2 GLN 13 HE21 GLN 13 -3.831 7.609 -0.271 102 2HE2 GLN 13 HE22 GLN 13 -3.145 8.632 -1.489 103 H VAL 14 HN VAL 14 0.495 5.404 3.459 104 HA VAL 14 HA VAL 14 -1.806 4.819 5.172 105 HB VAL 14 HB VAL 14 0.865 6.032 5.944 106 1HG1 VAL 14 HG11 VAL 14 0.203 5.527 8.203 107 2HG1 VAL 14 HG12 VAL 14 -1.327 4.856 7.647 108 3HG1 VAL 14 HG13 VAL 14 -0.992 6.588 7.449 109 1HG2 VAL 14 HG21 VAL 14 1.394 3.820 6.849 110 2HG2 VAL 14 HG22 VAL 14 1.145 3.774 5.102 111 3HG2 VAL 14 HG23 VAL 14 -0.122 3.190 6.189 112 H VAL 15 HN VAL 15 -3.261 6.353 5.711 113 HA VAL 15 HA VAL 15 -2.574 9.122 5.015 114 HB VAL 15 HB VAL 15 -5.051 9.489 4.827 115 1HG1 VAL 15 HG11 VAL 15 -3.704 9.221 2.848 116 2HG1 VAL 15 HG12 VAL 15 -5.253 8.410 2.625 117 3HG1 VAL 15 HG13 VAL 15 -3.812 7.461 2.970 118 1HG2 VAL 15 HG21 VAL 15 -6.510 7.580 4.542 119 2HG2 VAL 15 HG22 VAL 15 -5.804 7.563 6.157 120 3HG2 VAL 15 HG23 VAL 15 -5.187 6.483 4.904 121 H VAL 16 HN VAL 16 -2.869 10.707 6.488 122 HA VAL 16 HA VAL 16 -3.739 9.858 9.170 123 HB VAL 16 HB VAL 16 -1.322 10.313 9.090 124 1HG1 VAL 16 HG11 VAL 16 -1.233 11.853 7.225 125 2HG1 VAL 16 HG12 VAL 16 -0.485 12.570 8.646 126 3HG1 VAL 16 HG13 VAL 16 -2.102 13.077 8.152 127 1HG2 VAL 16 HG21 VAL 16 -2.865 12.450 10.555 128 2HG2 VAL 16 HG22 VAL 16 -1.191 11.972 10.873 129 3HG2 VAL 16 HG23 VAL 16 -2.503 10.816 11.140 130 H ASN 17 HN ASN 17 -5.335 10.964 10.076 131 HA ASN 17 HA ASN 17 -6.702 12.958 8.481 132 1HB ASN 17 HB2 ASN 17 -7.902 11.177 9.724 133 2HB ASN 17 HB1 ASN 17 -7.321 11.849 11.245 134 1HD2 ASN 17 HD21 ASN 17 -9.525 12.286 8.562 135 2HD2 ASN 17 HD22 ASN 17 -10.493 13.496 9.325 136 H HIS 18 HN HIS 18 -7.559 14.994 9.658 137 HA HIS 18 HA HIS 18 -5.371 16.566 10.594 138 1HB HIS 18 HB2 HIS 18 -8.343 17.090 10.520 139 2HB HIS 18 HB1 HIS 18 -7.172 18.263 11.112 140 HD1 HIS 18 HD1 HIS 18 -9.076 17.779 8.299 141 HD2 HIS 18 HD2 HIS 18 -4.999 18.419 8.830 142 HE1 HIS 18 HE1 HIS 18 -8.258 18.695 6.118 143 HE2 HIS 18 HE2 HIS 18 -5.747 18.923 6.388 144 H GLU 19 HN GLU 19 -7.058 14.261 12.102 145 HA GLU 19 HA GLU 19 -6.645 15.397 14.787 146 1HB GLU 19 HB2 GLU 19 -8.989 14.611 14.165 147 2HB GLU 19 HB1 GLU 19 -8.308 12.987 14.095 148 1HG GLU 19 HG2 GLU 19 -7.712 13.077 16.448 149 2HG GLU 19 HG1 GLU 19 -8.290 14.744 16.540 150 H GLU 20 HN GLU 20 -4.917 14.024 12.676 151 HA GLU 20 HA GLU 20 -3.316 12.496 12.416 152 1HB GLU 20 HB2 GLU 20 -1.747 12.122 14.256 153 2HB GLU 20 HB1 GLU 20 -2.133 13.821 14.024 154 1HG GLU 20 HG2 GLU 20 -3.610 13.758 15.956 155 2HG GLU 20 HG1 GLU 20 -3.221 12.046 16.195 156 H GLN 21 HN GLN 21 -5.655 11.386 12.365 157 HA GLN 21 HA GLN 21 -5.490 8.865 13.847 158 1HB GLN 21 HB2 GLN 21 -7.642 10.270 13.186 159 2HB GLN 21 HB1 GLN 21 -7.452 9.442 11.645 160 1HG GLN 21 HG2 GLN 21 -9.013 8.207 12.944 161 2HG GLN 21 HG1 GLN 21 -7.526 7.270 12.905 162 1HE2 GLN 21 HE21 GLN 21 -9.499 9.408 14.827 163 2HE2 GLN 21 HE22 GLN 21 -8.852 8.956 16.358 164 H TYR 22 HN TYR 22 -4.566 7.089 12.952 165 HA TYR 22 HA TYR 22 -3.569 7.365 10.213 166 1HB TYR 22 HB2 TYR 22 -2.829 5.447 12.431 167 2HB TYR 22 HB1 TYR 22 -2.169 5.365 10.792 168 HD1 TYR 22 HD1 TYR 22 -2.330 7.418 13.841 169 HD2 TYR 22 HD2 TYR 22 -0.444 6.847 10.099 170 HE1 TYR 22 HE1 TYR 22 -0.614 9.036 14.486 171 HE2 TYR 22 HE2 TYR 22 1.301 8.464 10.725 172 HH TYR 22 HH TYR 22 1.677 9.621 13.935 173 H SER 23 HN SER 23 -4.132 6.099 8.584 174 HA SER 23 HA SER 23 -5.531 3.603 8.970 175 1HB SER 23 HB2 SER 23 -6.851 5.905 7.511 176 2HB SER 23 HB1 SER 23 -7.452 4.246 7.558 177 HG SER 23 HG SER 23 -6.946 5.208 10.056 178 H ILE 24 HN ILE 24 -6.072 2.708 6.633 179 HA ILE 24 HA ILE 24 -3.749 3.385 4.946 180 HB ILE 24 HB ILE 24 -3.844 1.102 4.054 181 1HG1 ILE 24 HG12 ILE 24 -5.882 0.553 6.216 182 2HG1 ILE 24 HG11 ILE 24 -6.265 0.719 4.507 183 1HG2 ILE 24 HG21 ILE 24 -2.961 -0.057 6.024 184 2HG2 ILE 24 HG22 ILE 24 -3.588 1.231 7.043 185 3HG2 ILE 24 HG23 ILE 24 -2.318 1.580 5.879 186 1HD1 ILE 24 HD11 ILE 24 -6.164 -1.612 5.169 187 2HD1 ILE 24 HD12 ILE 24 -4.511 -1.392 5.730 188 3HD1 ILE 24 HD13 ILE 24 -4.889 -1.226 4.016 189 H TRP 25 HN TRP 25 -4.066 3.600 2.758 190 HA TRP 25 HA TRP 25 -6.774 3.414 1.696 191 1HB TRP 25 HB2 TRP 25 -6.464 5.721 2.593 192 2HB TRP 25 HB1 TRP 25 -5.071 5.927 1.538 193 HD1 TRP 25 HD1 TRP 25 -5.524 6.732 -0.892 194 HE1 TRP 25 HE1 TRP 25 -7.649 7.332 -2.220 195 HE3 TRP 25 HE3 TRP 25 -9.080 4.975 2.366 196 HZ2 TRP 25 HZ2 TRP 25 -10.431 7.096 -1.941 197 HZ3 TRP 25 HZ3 TRP 25 -11.453 5.223 1.753 198 HH2 TRP 25 HH2 TRP 25 -12.111 6.256 -0.361 199 HA PRO 26 HA PRO 26 -4.417 1.711 -1.707 200 1HB PRO 26 HB2 PRO 26 -6.708 2.638 -3.344 201 2HB PRO 26 HB1 PRO 26 -6.016 1.016 -3.191 202 1HG PRO 26 HG2 PRO 26 -8.364 1.609 -2.071 203 2HG PRO 26 HG1 PRO 26 -7.201 0.552 -1.260 204 1HD PRO 26 HD2 PRO 26 -7.829 3.431 -0.715 205 2HD PRO 26 HD1 PRO 26 -7.480 2.107 0.418 206 H GLU 27 HN GLU 27 -2.864 2.672 -2.892 207 HA GLU 27 HA GLU 27 -2.743 5.516 -2.906 208 1HB GLU 27 HB2 GLU 27 -0.564 5.224 -3.954 209 2HB GLU 27 HB1 GLU 27 -0.741 4.165 -2.572 210 1HG GLU 27 HG2 GLU 27 -0.900 2.250 -3.915 211 2HG GLU 27 HG1 GLU 27 -1.340 3.189 -5.336 212 H TYR 28 HN TYR 28 -4.030 3.236 -5.038 213 HA TYR 28 HA TYR 28 -3.580 4.490 -7.517 214 1HB TYR 28 HB2 TYR 28 -6.015 2.865 -6.768 215 2HB TYR 28 HB1 TYR 28 -5.299 3.070 -8.368 216 HD1 TYR 28 HD1 TYR 28 -5.153 1.278 -5.202 217 HD2 TYR 28 HD2 TYR 28 -3.223 1.834 -8.973 218 HE1 TYR 28 HE1 TYR 28 -3.890 -0.784 -4.849 219 HE2 TYR 28 HE2 TYR 28 -1.945 -0.250 -8.621 220 HH TYR 28 HH TYR 28 -1.242 -1.719 -6.892 221 H LYS 29 HN LYS 29 -5.891 5.013 -4.962 222 HA LYS 29 HA LYS 29 -7.442 6.862 -6.637 223 1HB LYS 29 HB2 LYS 29 -8.098 5.556 -3.981 224 2HB LYS 29 HB1 LYS 29 -9.140 6.706 -4.805 225 1HG LYS 29 HG2 LYS 29 -9.317 5.177 -6.693 226 2HG LYS 29 HG1 LYS 29 -8.255 4.037 -5.883 227 1HD LYS 29 HD2 LYS 29 -10.952 4.942 -4.877 228 2HD LYS 29 HD1 LYS 29 -10.601 3.401 -5.659 229 1HE LYS 29 HE2 LYS 29 -9.046 2.842 -3.852 230 2HE LYS 29 HE1 LYS 29 -9.462 4.352 -3.044 231 1HZ LYS 29 HZ1 LYS 29 -10.697 2.542 -2.109 232 2HZ LYS 29 HZ2 LYS 29 -11.320 2.107 -3.629 233 3HZ LYS 29 HZ3 LYS 29 -11.767 3.577 -2.911 234 H GLU 30 HN GLU 30 -8.118 8.892 -5.715 235 HA GLU 30 HA GLU 30 -5.970 10.225 -4.364 236 1HB GLU 30 HB2 GLU 30 -7.208 11.362 -6.108 237 2HB GLU 30 HB1 GLU 30 -8.701 11.198 -5.213 238 1HG GLU 30 HG2 GLU 30 -7.870 13.431 -5.006 239 2HG GLU 30 HG1 GLU 30 -7.769 12.628 -3.445 240 H ILE 31 HN ILE 31 -6.099 11.306 -2.359 241 HA ILE 31 HA ILE 31 -7.416 9.761 -0.338 242 HB ILE 31 HB ILE 31 -5.834 12.319 -0.052 243 1HG1 ILE 31 HG12 ILE 31 -4.875 9.444 0.037 244 2HG1 ILE 31 HG11 ILE 31 -4.516 10.619 -1.232 245 1HG2 ILE 31 HG21 ILE 31 -5.421 11.542 2.234 246 2HG2 ILE 31 HG22 ILE 31 -6.425 10.121 1.936 247 3HG2 ILE 31 HG23 ILE 31 -7.150 11.722 1.920 248 1HD1 ILE 31 HD11 ILE 31 -3.658 10.844 1.643 249 2HD1 ILE 31 HD12 ILE 31 -3.286 11.982 0.354 250 3HD1 ILE 31 HD13 ILE 31 -2.638 10.344 0.290 251 HA PRO 32 HA PRO 32 -11.101 12.295 0.129 252 1HB PRO 32 HB2 PRO 32 -10.875 11.355 2.943 253 2HB PRO 32 HB1 PRO 32 -12.257 11.274 1.841 254 1HG PRO 32 HG2 PRO 32 -10.849 9.100 2.417 255 2HG PRO 32 HG1 PRO 32 -11.462 9.370 0.775 256 1HD PRO 32 HD2 PRO 32 -8.689 9.713 1.855 257 2HD PRO 32 HD1 PRO 32 -9.213 9.097 0.264 258 H GLN 33 HN GLN 33 -11.476 14.363 0.924 259 HA GLN 33 HA GLN 33 -9.217 15.798 1.838 260 1HB GLN 33 HB2 GLN 33 -10.818 17.727 2.029 261 2HB GLN 33 HB1 GLN 33 -10.782 16.935 0.446 262 1HG GLN 33 HG2 GLN 33 -12.843 15.751 1.033 263 2HG GLN 33 HG1 GLN 33 -12.873 16.556 2.588 264 1HE2 GLN 33 HE21 GLN 33 -13.334 18.763 2.666 265 2HE2 GLN 33 HE22 GLN 33 -14.098 19.586 1.343 266 H GLY 34 HN GLY 34 -8.519 16.095 3.835 267 1HA GLY 34 HA2 GLY 34 -9.234 16.582 6.204 268 2HA GLY 34 HA1 GLY 34 -10.254 15.165 6.040 269 H TRP 35 HN TRP 35 -8.026 13.972 4.314 270 HA TRP 35 HA TRP 35 -6.294 13.169 6.530 271 1HB TRP 35 HB2 TRP 35 -7.099 11.517 4.121 272 2HB TRP 35 HB1 TRP 35 -6.103 10.968 5.469 273 HD1 TRP 35 HD1 TRP 35 -9.757 12.154 4.845 274 HE1 TRP 35 HE1 TRP 35 -11.287 10.906 6.511 275 HE3 TRP 35 HE3 TRP 35 -6.188 9.597 7.474 276 HZ2 TRP 35 HZ2 TRP 35 -10.996 9.069 8.630 277 HZ3 TRP 35 HZ3 TRP 35 -6.899 8.128 9.302 278 HH2 TRP 35 HH2 TRP 35 -9.260 7.862 9.875 279 H ARG 36 HN ARG 36 -4.083 12.567 5.861 280 HA ARG 36 HA ARG 36 -3.292 13.643 3.246 281 1HB ARG 36 HB2 ARG 36 -2.076 14.370 5.904 282 2HB ARG 36 HB1 ARG 36 -1.225 14.598 4.371 283 1HG ARG 36 HG2 ARG 36 -3.147 16.015 3.610 284 2HG ARG 36 HG1 ARG 36 -3.800 15.881 5.244 285 1HD ARG 36 HD2 ARG 36 -2.029 17.069 6.191 286 2HD ARG 36 HD1 ARG 36 -1.026 16.865 4.753 287 HE ARG 36 HE ARG 36 -3.468 18.532 4.739 288 1HH1 ARG 36 HH11 ARG 36 -0.068 18.095 4.066 289 2HH1 ARG 36 HH12 ARG 36 0.090 19.574 3.163 290 1HH2 ARG 36 HH21 ARG 36 -3.268 20.483 3.541 291 2HH2 ARG 36 HH22 ARG 36 -1.744 20.920 2.846 292 H ALA 37 HN ALA 37 -1.313 12.761 2.423 293 HA ALA 37 HA ALA 37 -1.023 10.006 3.069 294 1HB ALA 37 HB1 ALA 37 0.657 11.712 1.226 295 2HB ALA 37 HB2 ALA 37 -0.822 10.848 0.752 296 3HB ALA 37 HB3 ALA 37 0.621 9.957 1.269 297 H ALA 38 HN ALA 38 0.537 9.003 4.271 298 HA ALA 38 HA ALA 38 2.909 10.422 5.105 299 1HB ALA 38 HB1 ALA 38 2.472 10.323 7.459 300 2HB ALA 38 HB2 ALA 38 0.930 9.513 7.179 301 3HB ALA 38 HB3 ALA 38 1.143 11.188 6.662 302 H GLY 39 HN GLY 39 4.255 9.055 6.507 303 1HA GLY 39 HA2 GLY 39 5.200 7.097 7.204 304 2HA GLY 39 HA1 GLY 39 3.669 6.307 6.913 305 H LYS 40 HN LYS 40 3.432 5.061 5.157 306 HA LYS 40 HA LYS 40 5.705 4.891 3.321 307 1HB LYS 40 HB2 LYS 40 4.268 2.520 4.518 308 2HB LYS 40 HB1 LYS 40 5.630 2.465 3.401 309 1HG LYS 40 HG2 LYS 40 7.060 3.470 5.063 310 2HG LYS 40 HG1 LYS 40 5.706 3.598 6.186 311 1HD LYS 40 HD2 LYS 40 5.469 1.127 6.086 312 2HD LYS 40 HD1 LYS 40 6.934 1.066 5.108 313 1HE LYS 40 HE2 LYS 40 6.709 2.122 7.929 314 2HE LYS 40 HE1 LYS 40 7.444 0.586 7.460 315 1HZ LYS 40 HZ1 LYS 40 9.097 1.870 6.163 316 2HZ LYS 40 HZ2 LYS 40 9.148 2.226 7.822 317 3HZ LYS 40 HZ3 LYS 40 8.416 3.320 6.751 318 H SER 41 HN SER 41 5.208 4.541 1.228 319 HA SER 41 HA SER 41 2.429 3.800 0.551 320 1HB SER 41 HB2 SER 41 3.051 6.191 -0.035 321 2HB SER 41 HB1 SER 41 4.260 5.548 -1.148 322 HG SER 41 HG SER 41 2.082 4.281 -1.762 323 H GLY 42 HN GLY 42 2.348 1.865 -0.359 324 1HA GLY 42 HA2 GLY 42 3.952 0.856 -2.369 325 2HA GLY 42 HA1 GLY 42 4.741 0.413 -0.853 326 H LEU 43 HN LEU 43 4.344 -1.660 -0.515 327 HA LEU 43 HA LEU 43 1.932 -2.914 -1.358 328 1HB LEU 43 HB2 LEU 43 4.306 -3.836 0.233 329 2HB LEU 43 HB1 LEU 43 2.875 -4.839 0.045 330 HG LEU 43 HG LEU 43 4.566 -5.507 -1.533 331 1HD1 LEU 43 HD11 LEU 43 3.312 -5.345 -3.619 332 2HD1 LEU 43 HD12 LEU 43 2.318 -4.065 -2.918 333 3HD1 LEU 43 HD13 LEU 43 2.276 -5.697 -2.242 334 1HD2 LEU 43 HD21 LEU 43 4.487 -2.676 -2.538 335 2HD2 LEU 43 HD22 LEU 43 5.348 -4.001 -3.304 336 3HD2 LEU 43 HD23 LEU 43 5.835 -3.446 -1.696 337 H LYS 44 HN LYS 44 0.443 -4.046 0.082 338 HA LYS 44 HA LYS 44 -0.625 -2.333 2.022 339 1HB LYS 44 HB2 LYS 44 -2.021 -3.873 0.819 340 2HB LYS 44 HB1 LYS 44 -1.108 -5.255 1.425 341 1HG LYS 44 HG2 LYS 44 -1.958 -4.906 3.656 342 2HG LYS 44 HG1 LYS 44 -2.717 -3.387 3.156 343 1HD LYS 44 HD2 LYS 44 -4.339 -5.210 3.334 344 2HD LYS 44 HD1 LYS 44 -4.215 -4.580 1.687 345 1HE LYS 44 HE2 LYS 44 -4.327 -6.985 1.596 346 2HE LYS 44 HE1 LYS 44 -2.712 -6.466 1.126 347 1HZ LYS 44 HZ1 LYS 44 -3.477 -7.462 3.832 348 2HZ LYS 44 HZ2 LYS 44 -1.910 -7.034 3.328 349 3HZ LYS 44 HZ3 LYS 44 -2.685 -8.373 2.635 350 H LYS 45 HN LYS 45 1.369 -5.204 2.289 351 HA LYS 45 HA LYS 45 1.274 -5.437 5.068 352 1HB LYS 45 HB2 LYS 45 3.437 -6.712 4.753 353 2HB LYS 45 HB1 LYS 45 2.040 -7.326 3.910 354 1HG LYS 45 HG2 LYS 45 3.448 -7.449 2.186 355 2HG LYS 45 HG1 LYS 45 3.098 -5.734 2.006 356 1HD LYS 45 HD2 LYS 45 5.059 -5.224 3.389 357 2HD LYS 45 HD1 LYS 45 5.451 -6.942 3.476 358 1HE LYS 45 HE2 LYS 45 5.337 -5.230 0.993 359 2HE LYS 45 HE1 LYS 45 6.783 -5.860 1.761 360 1HZ LYS 45 HZ1 LYS 45 6.253 -7.208 -0.121 361 2HZ LYS 45 HZ2 LYS 45 4.662 -7.445 0.406 362 3HZ LYS 45 HZ3 LYS 45 5.953 -8.128 1.275 363 H ASP 46 HN ASP 46 3.234 -3.411 3.021 364 HA ASP 46 HA ASP 46 5.106 -2.661 5.020 365 1HB ASP 46 HB2 ASP 46 4.357 -1.386 2.396 366 2HB ASP 46 HB1 ASP 46 5.554 -0.696 3.468 367 H CYS 47 HN CYS 47 2.000 -1.451 3.939 368 HA CYS 47 HA CYS 47 2.141 0.990 5.381 369 1HB CYS 47 HB2 CYS 47 -0.297 -0.452 4.313 370 2HB CYS 47 HB1 CYS 47 -0.173 1.252 4.761 371 HG CYS 47 HG CYS 47 1.329 -0.286 2.112 372 H LEU 48 HN LEU 48 0.528 -2.122 5.920 373 HA LEU 48 HA LEU 48 -0.708 -1.579 8.327 374 1HB LEU 48 HB2 LEU 48 0.616 -4.168 7.539 375 2HB LEU 48 HB1 LEU 48 -0.649 -3.984 8.739 376 HG LEU 48 HG LEU 48 -0.925 -3.569 5.760 377 1HD1 LEU 48 HD11 LEU 48 -2.457 -5.495 5.944 378 2HD1 LEU 48 HD12 LEU 48 -1.996 -5.674 7.637 379 3HD1 LEU 48 HD13 LEU 48 -0.794 -5.905 6.369 380 1HD2 LEU 48 HD21 LEU 48 -2.299 -1.990 6.983 381 2HD2 LEU 48 HD22 LEU 48 -2.995 -3.298 7.933 382 3HD2 LEU 48 HD23 LEU 48 -3.293 -3.213 6.193 383 H ALA 49 HN ALA 49 2.535 -2.737 7.657 384 HA ALA 49 HA ALA 49 3.548 -3.058 10.200 385 1HB ALA 49 HB1 ALA 49 5.751 -2.605 9.235 386 2HB ALA 49 HB2 ALA 49 4.993 -1.927 7.797 387 3HB ALA 49 HB3 ALA 49 4.789 -3.634 8.178 388 H TYR 50 HN TYR 50 3.467 -0.099 8.233 389 HA TYR 50 HA TYR 50 4.793 1.591 9.949 390 1HB TYR 50 HB2 TYR 50 4.317 2.311 7.695 391 2HB TYR 50 HB1 TYR 50 2.575 2.302 8.029 392 HD1 TYR 50 HD1 TYR 50 5.772 3.904 9.062 393 HD2 TYR 50 HD2 TYR 50 1.539 4.221 8.789 394 HE1 TYR 50 HE1 TYR 50 5.903 6.271 9.759 395 HE2 TYR 50 HE2 TYR 50 1.654 6.561 9.531 396 HH TYR 50 HH TYR 50 4.668 8.266 9.760 397 H ILE 51 HN ILE 51 1.291 0.900 9.926 398 HA ILE 51 HA ILE 51 0.675 2.858 11.859 399 HB ILE 51 HB ILE 51 -0.804 0.436 10.871 400 1HG1 ILE 51 HG12 ILE 51 -2.492 2.261 10.280 401 2HG1 ILE 51 HG11 ILE 51 -1.252 3.419 10.731 402 1HG2 ILE 51 HG21 ILE 51 -1.360 0.515 13.223 403 2HG2 ILE 51 HG22 ILE 51 -2.744 1.055 12.264 404 3HG2 ILE 51 HG23 ILE 51 -1.728 2.231 13.106 405 1HD1 ILE 51 HD11 ILE 51 -1.029 1.367 8.536 406 2HD1 ILE 51 HD12 ILE 51 0.211 2.536 8.984 407 3HD1 ILE 51 HD13 ILE 51 -1.328 3.093 8.329 408 H GLU 52 HN GLU 52 1.645 -0.487 12.111 409 HA GLU 52 HA GLU 52 1.173 -0.848 14.842 410 1HB GLU 52 HB2 GLU 52 1.708 -2.633 13.181 411 2HB GLU 52 HB1 GLU 52 3.375 -2.074 13.190 412 1HG GLU 52 HG2 GLU 52 3.203 -4.007 14.585 413 2HG GLU 52 HG1 GLU 52 3.487 -2.595 15.614 414 H GLU 53 HN GLU 53 3.973 0.394 13.108 415 HA GLU 53 HA GLU 53 5.899 0.343 14.978 416 1HB GLU 53 HB2 GLU 53 5.566 2.727 13.174 417 2HB GLU 53 HB1 GLU 53 7.059 2.091 13.846 418 1HG GLU 53 HG2 GLU 53 5.296 0.734 11.811 419 2HG GLU 53 HG1 GLU 53 6.846 1.529 11.498 420 H VAL 54 HN VAL 54 4.127 3.774 16.389 421 HA VAL 54 HA VAL 54 3.656 2.786 13.684 422 HB VAL 54 HB VAL 54 1.601 3.303 14.743 423 1HG1 VAL 54 HG11 VAL 54 2.805 5.923 15.607 424 2HG1 VAL 54 HG12 VAL 54 2.440 4.532 16.640 425 3HG1 VAL 54 HG13 VAL 54 1.125 5.424 15.861 426 1HG2 VAL 54 HG21 VAL 54 2.325 5.713 13.089 427 2HG2 VAL 54 HG22 VAL 54 0.699 5.157 13.469 428 3HG2 VAL 54 HG23 VAL 54 1.756 4.172 12.464 429 H TRP 55 HN TRP 55 4.833 5.620 15.422 430 HA TRP 55 HA TRP 55 5.641 6.797 12.853 431 1HB TRP 55 HB2 TRP 55 3.958 8.024 14.403 432 2HB TRP 55 HB1 TRP 55 5.337 8.333 15.437 433 HD1 TRP 55 HD1 TRP 55 4.170 9.018 11.829 434 HE1 TRP 55 HE1 TRP 55 5.183 11.251 11.051 435 HE3 TRP 55 HE3 TRP 55 7.088 10.022 15.887 436 HZ2 TRP 55 HZ2 TRP 55 6.991 13.182 12.026 437 HZ3 TRP 55 HZ3 TRP 55 8.427 12.086 15.887 438 HH2 TRP 55 HH2 TRP 55 8.382 13.635 13.997 439 H THR 56 HN THR 56 7.099 4.785 14.312 440 HA THR 56 HA THR 56 9.521 6.295 15.032 441 HB THR 56 HB THR 56 8.398 5.686 17.125 442 HG1 THR 56 HG1 THR 56 10.575 5.677 17.372 443 1HG2 THR 56 HG21 THR 56 8.148 3.343 17.790 444 2HG2 THR 56 HG22 THR 56 8.722 2.822 16.201 445 3HG2 THR 56 HG23 THR 56 7.201 3.702 16.346 446 H ASP 57 HN ASP 57 11.389 5.397 14.296 447 HA ASP 57 HA ASP 57 11.162 2.772 12.984 448 1HB ASP 57 HB2 ASP 57 11.348 4.819 11.440 449 2HB ASP 57 HB1 ASP 57 13.002 4.954 12.035 450 H MET 58 HN MET 58 11.852 1.929 14.991 451 HA MET 58 HA MET 58 14.786 2.010 15.282 452 1HB MET 58 HB2 MET 58 12.735 1.871 17.511 453 2HB MET 58 HB1 MET 58 14.458 1.606 17.728 454 1HG MET 58 HG2 MET 58 14.900 3.904 16.984 455 2HG MET 58 HG1 MET 58 13.163 4.165 16.802 456 1HE MET 58 HE1 MET 58 13.379 6.308 18.353 457 2HE MET 58 HE2 MET 58 15.110 6.026 18.576 458 3HE MET 58 HE3 MET 58 14.070 6.299 19.971 459 H ARG 59 HN ARG 59 11.813 0.236 16.020 460 HA ARG 59 HA ARG 59 13.161 -2.258 15.247 461 1HB ARG 59 HB2 ARG 59 12.992 -2.036 17.768 462 2HB ARG 59 HB1 ARG 59 11.238 -2.029 17.573 463 1HG ARG 59 HG2 ARG 59 11.529 -4.267 16.386 464 2HG ARG 59 HG1 ARG 59 13.168 -4.268 17.045 465 1HD ARG 59 HD2 ARG 59 10.565 -4.245 18.547 466 2HD ARG 59 HD1 ARG 59 11.822 -5.473 18.582 467 HE ARG 59 HE ARG 59 13.177 -3.437 19.573 468 1HH1 ARG 59 HH11 ARG 59 9.887 -4.455 20.240 469 2HH1 ARG 59 HH12 ARG 59 9.887 -3.850 21.866 470 1HH2 ARG 59 HH21 ARG 59 13.164 -2.578 21.687 471 2HH2 ARG 59 HH22 ARG 59 11.752 -2.743 22.690 472 HA PRO 60 HA PRO 60 9.272 -1.347 12.903 473 1HB PRO 60 HB2 PRO 60 10.707 -2.870 10.826 474 2HB PRO 60 HB1 PRO 60 9.921 -1.292 10.720 475 1HG PRO 60 HG2 PRO 60 12.600 -1.508 10.742 476 2HG PRO 60 HG1 PRO 60 11.772 -0.166 11.563 477 1HD PRO 60 HD2 PRO 60 12.971 -2.649 12.728 478 2HD PRO 60 HD1 PRO 60 13.006 -0.970 13.334 479 H LEU 61 HN LEU 61 7.691 -2.724 11.902 480 HA LEU 61 HA LEU 61 7.329 -5.154 13.309 481 1HB LEU 61 HB2 LEU 61 5.473 -3.789 12.552 482 2HB LEU 61 HB1 LEU 61 5.920 -4.056 10.873 483 HG LEU 61 HG LEU 61 5.419 -6.491 11.218 484 1HD1 LEU 61 HD11 LEU 61 5.696 -6.541 13.654 485 2HD1 LEU 61 HD12 LEU 61 4.122 -7.189 13.135 486 3HD1 LEU 61 HD13 LEU 61 4.251 -5.560 13.814 487 1HD2 LEU 61 HD21 LEU 61 3.155 -4.568 11.760 488 2HD2 LEU 61 HD22 LEU 61 3.015 -6.209 11.108 489 3HD2 LEU 61 HD23 LEU 61 3.829 -4.952 10.172 490 H SER 62 HN SER 62 9.205 -4.464 10.597 491 HA SER 62 HA SER 62 8.982 -6.688 8.962 492 1HB SER 62 HB2 SER 62 11.469 -6.219 8.533 493 2HB SER 62 HB1 SER 62 10.331 -4.904 8.232 494 HG SER 62 HG SER 62 12.430 -4.854 9.801 495 H LEU 63 HN LEU 63 11.179 -6.292 11.763 496 HA LEU 63 HA LEU 63 11.752 -9.135 11.653 497 1HB LEU 63 HB2 LEU 63 13.453 -8.745 13.335 498 2HB LEU 63 HB1 LEU 63 13.654 -7.607 12.020 499 HG LEU 63 HG LEU 63 12.222 -6.830 14.544 500 1HD1 LEU 63 HD11 LEU 63 14.321 -5.898 15.348 501 2HD1 LEU 63 HD12 LEU 63 15.165 -6.588 13.966 502 3HD1 LEU 63 HD13 LEU 63 14.430 -7.648 15.178 503 1HD2 LEU 63 HD21 LEU 63 12.903 -4.591 13.868 504 2HD2 LEU 63 HD22 LEU 63 11.929 -5.369 12.615 505 3HD2 LEU 63 HD23 LEU 63 13.678 -5.256 12.442 506 H ARG 64 HN ARG 64 9.631 -7.023 13.188 507 HA ARG 64 HA ARG 64 9.336 -8.442 15.674 508 1HB ARG 64 HB2 ARG 64 8.787 -6.048 15.399 509 2HB ARG 64 HB1 ARG 64 7.491 -6.479 14.306 510 1HG ARG 64 HG2 ARG 64 6.364 -7.697 16.119 511 2HG ARG 64 HG1 ARG 64 7.638 -7.194 17.226 512 1HD ARG 64 HD2 ARG 64 7.063 -4.814 16.605 513 2HD ARG 64 HD1 ARG 64 5.635 -5.463 15.787 514 HE ARG 64 HE ARG 64 5.649 -6.484 18.399 515 1HH1 ARG 64 HH11 ARG 64 5.427 -3.367 16.834 516 2HH1 ARG 64 HH12 ARG 64 4.401 -2.667 18.052 517 1HH2 ARG 64 HH21 ARG 64 4.280 -5.618 19.976 518 2HH2 ARG 64 HH22 ARG 64 3.730 -3.979 19.867 519 H GLN 65 HN GLN 65 7.771 -8.536 12.533 520 HA GLN 65 HA GLN 65 5.706 -10.339 13.336 521 1HB GLN 65 HB2 GLN 65 5.320 -8.786 11.498 522 2HB GLN 65 HB1 GLN 65 6.665 -9.477 10.604 523 1HG GLN 65 HG2 GLN 65 4.513 -10.230 9.775 524 2HG GLN 65 HG1 GLN 65 5.496 -11.569 10.385 525 1HE2 GLN 65 HE21 GLN 65 2.645 -9.659 10.795 526 2HE2 GLN 65 HE22 GLN 65 1.912 -10.624 12.049 527 H HIS 66 HN HIS 66 6.361 -12.286 14.049 528 HA HIS 66 HA HIS 66 8.496 -13.671 12.599 529 1HB HIS 66 HB2 HIS 66 7.288 -14.234 15.319 530 2HB HIS 66 HB1 HIS 66 8.552 -15.199 14.578 531 HD1 HIS 66 HD1 HIS 66 8.095 -12.440 16.818 532 HD2 HIS 66 HD2 HIS 66 10.983 -13.541 14.054 533 HE1 HIS 66 HE1 HIS 66 10.152 -11.135 17.445 534 HE2 HIS 66 HE2 HIS 66 11.831 -11.708 15.650 535 H MET 67 HN MET 67 5.108 -13.925 13.454 536 HA MET 67 HA MET 67 4.880 -16.720 12.882 537 1HB MET 67 HB2 MET 67 2.539 -16.498 13.330 538 2HB MET 67 HB1 MET 67 3.418 -15.533 14.518 539 1HG MET 67 HG2 MET 67 2.924 -13.522 13.201 540 2HG MET 67 HG1 MET 67 1.990 -14.507 12.069 541 1HE MET 67 HE1 MET 67 -0.976 -15.745 14.299 542 2HE MET 67 HE2 MET 67 0.557 -16.592 14.027 543 3HE MET 67 HE3 MET 67 -0.234 -15.752 12.689 544 H ASP 68 HN ASP 68 4.898 -13.935 10.949 545 HA ASP 68 HA ASP 68 4.023 -15.526 8.670 546 1HB ASP 68 HB2 ASP 68 2.042 -14.311 9.153 547 2HB ASP 68 HB1 ASP 68 2.933 -12.816 9.442 548 H LYS 69 HN LYS 69 5.522 -15.480 7.142 549 HA LYS 69 HA LYS 69 6.585 -13.041 6.150 550 1HB LYS 69 HB2 LYS 69 8.996 -13.663 6.493 551 2HB LYS 69 HB1 LYS 69 8.143 -13.128 7.941 552 1HG LYS 69 HG2 LYS 69 7.908 -15.447 8.658 553 2HG LYS 69 HG1 LYS 69 8.754 -15.986 7.204 554 1HD LYS 69 HD2 LYS 69 10.247 -15.912 9.135 555 2HD LYS 69 HD1 LYS 69 10.734 -14.762 7.903 556 1HE LYS 69 HE2 LYS 69 9.594 -12.984 9.155 557 2HE LYS 69 HE1 LYS 69 9.192 -14.142 10.405 558 1HZ LYS 69 HZ1 LYS 69 11.156 -12.828 10.940 559 2HZ LYS 69 HZ2 LYS 69 11.940 -13.422 9.562 560 3HZ LYS 69 HZ3 LYS 69 11.531 -14.478 10.816 561 H ALA 70 HN ALA 70 8.231 -13.544 4.357 562 HA ALA 70 HA ALA 70 7.033 -15.301 2.564 563 1HB ALA 70 HB1 ALA 70 9.808 -14.156 2.445 564 2HB ALA 70 HB2 ALA 70 8.353 -13.347 1.871 565 3HB ALA 70 HB3 ALA 70 8.911 -14.825 1.097 566 H ALA 71 HN ALA 71 9.812 -15.682 4.668 567 HA ALA 71 HA ALA 71 10.384 -18.354 3.762 568 1HB ALA 71 HB1 ALA 71 12.084 -16.898 4.772 569 2HB ALA 71 HB2 ALA 71 11.926 -18.436 5.624 570 3HB ALA 71 HB3 ALA 71 11.229 -16.968 6.307 571 H GLY 72 HN GLY 72 8.945 -19.928 4.115 572 1HA GLY 72 HA2 GLY 72 8.258 -21.259 6.255 573 2HA GLY 72 HA1 GLY 72 7.242 -19.843 6.487 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -12.759 -12.903 -14.588 2 2H MET 1 HT2 MET 1 -11.952 -11.771 -15.559 3 3H MET 1 HT3 MET 1 -13.591 -11.566 -15.196 4 HA MET 1 HA MET 1 -12.135 -10.084 -13.922 5 1HB MET 1 HB2 MET 1 -13.145 -10.625 -11.695 6 2HB MET 1 HB1 MET 1 -14.292 -10.521 -13.020 7 1HG MET 1 HG2 MET 1 -14.955 -12.341 -11.709 8 2HG MET 1 HG1 MET 1 -14.212 -13.021 -13.149 9 1HE MET 1 HE1 MET 1 -14.054 -15.375 -12.053 10 2HE MET 1 HE2 MET 1 -14.789 -14.802 -10.553 11 3HE MET 1 HE3 MET 1 -13.281 -15.716 -10.501 12 H THR 2 HN THR 2 -10.770 -12.926 -14.457 13 HA THR 2 HA THR 2 -9.093 -12.893 -12.035 14 HB THR 2 HB THR 2 -9.292 -15.048 -14.153 15 HG1 THR 2 HG1 THR 2 -11.262 -14.823 -12.966 16 1HG2 THR 2 HG21 THR 2 -8.031 -15.013 -11.408 17 2HG2 THR 2 HG22 THR 2 -7.184 -15.103 -12.958 18 3HG2 THR 2 HG23 THR 2 -8.202 -16.439 -12.433 19 H SER 3 HN SER 3 -7.082 -12.166 -12.130 20 HA SER 3 HA SER 3 -5.888 -11.820 -14.814 21 1HB SER 3 HB2 SER 3 -6.399 -9.737 -13.424 22 2HB SER 3 HB1 SER 3 -5.172 -10.304 -12.291 23 HG SER 3 HG SER 3 -4.317 -8.822 -13.806 24 H VAL 4 HN VAL 4 -3.248 -11.475 -14.020 25 HA VAL 4 HA VAL 4 -2.630 -14.251 -13.479 26 HB VAL 4 HB VAL 4 -0.321 -13.677 -14.163 27 1HG1 VAL 4 HG11 VAL 4 -1.898 -14.518 -15.785 28 2HG1 VAL 4 HG12 VAL 4 -0.845 -13.307 -16.529 29 3HG1 VAL 4 HG13 VAL 4 -2.492 -12.887 -16.087 30 1HG2 VAL 4 HG21 VAL 4 -1.487 -10.930 -14.640 31 2HG2 VAL 4 HG22 VAL 4 0.087 -11.491 -15.217 32 3HG2 VAL 4 HG23 VAL 4 -0.230 -11.364 -13.493 33 H PHE 5 HN PHE 5 -2.217 -11.130 -11.947 34 HA PHE 5 HA PHE 5 -1.106 -12.524 -9.596 35 1HB PHE 5 HB2 PHE 5 0.778 -11.573 -10.900 36 2HB PHE 5 HB1 PHE 5 0.062 -9.976 -10.739 37 HD1 PHE 5 HD1 PHE 5 1.345 -12.820 -8.700 38 HD2 PHE 5 HD2 PHE 5 0.657 -8.618 -8.961 39 HE1 PHE 5 HE1 PHE 5 2.554 -12.488 -6.590 40 HE2 PHE 5 HE2 PHE 5 1.850 -8.296 -6.830 41 HZ PHE 5 HZ PHE 5 2.801 -10.235 -5.645 42 H ASP 6 HN ASP 6 -3.640 -10.973 -10.618 43 HA ASP 6 HA ASP 6 -3.761 -8.786 -8.744 44 1HB ASP 6 HB2 ASP 6 -4.862 -8.517 -10.906 45 2HB ASP 6 HB1 ASP 6 -5.888 -9.905 -10.578 46 H ARG 7 HN ARG 7 -3.448 -9.870 -6.816 47 HA ARG 7 HA ARG 7 -6.021 -10.763 -5.722 48 1HB ARG 7 HB2 ARG 7 -4.715 -12.773 -5.839 49 2HB ARG 7 HB1 ARG 7 -3.299 -11.961 -5.153 50 1HG ARG 7 HG2 ARG 7 -4.430 -13.442 -3.544 51 2HG ARG 7 HG1 ARG 7 -4.422 -11.766 -3.001 52 1HD ARG 7 HD2 ARG 7 -6.755 -11.642 -4.084 53 2HD ARG 7 HD1 ARG 7 -6.704 -13.411 -4.073 54 HE ARG 7 HE ARG 7 -6.517 -13.294 -1.652 55 1HH1 ARG 7 HH11 ARG 7 -7.655 -10.455 -3.344 56 2HH1 ARG 7 HH12 ARG 7 -8.319 -9.702 -1.914 57 1HH2 ARG 7 HH21 ARG 7 -7.417 -12.326 0.231 58 2HH2 ARG 7 HH22 ARG 7 -8.174 -10.762 0.101 59 H ASP 8 HN ASP 8 -2.730 -9.852 -4.752 60 HA ASP 8 HA ASP 8 -3.886 -7.769 -3.022 61 1HB ASP 8 HB2 ASP 8 -2.875 -9.713 -1.752 62 2HB ASP 8 HB1 ASP 8 -1.314 -9.266 -2.449 63 H ASP 9 HN ASP 9 -3.103 -7.715 -5.780 64 HA ASP 9 HA ASP 9 -0.579 -6.351 -6.006 65 1HB ASP 9 HB2 ASP 9 -1.400 -7.454 -7.968 66 2HB ASP 9 HB1 ASP 9 -2.943 -6.619 -7.873 67 H ILE 10 HN ILE 10 -3.944 -5.420 -5.670 68 HA ILE 10 HA ILE 10 -3.827 -2.706 -5.851 69 HB ILE 10 HB ILE 10 -5.935 -3.699 -5.387 70 1HG1 ILE 10 HG12 ILE 10 -5.122 -2.149 -2.910 71 2HG1 ILE 10 HG11 ILE 10 -5.634 -1.431 -4.448 72 1HG2 ILE 10 HG21 ILE 10 -6.455 -4.861 -3.287 73 2HG2 ILE 10 HG22 ILE 10 -4.784 -4.673 -2.787 74 3HG2 ILE 10 HG23 ILE 10 -5.167 -5.660 -4.194 75 1HD1 ILE 10 HD11 ILE 10 -7.302 -3.158 -2.646 76 2HD1 ILE 10 HD12 ILE 10 -7.820 -2.441 -4.167 77 3HD1 ILE 10 HD13 ILE 10 -7.424 -1.412 -2.800 78 H GLN 11 HN GLN 11 -2.476 -1.295 -5.066 79 HA GLN 11 HA GLN 11 -0.978 -1.909 -2.650 80 1HB GLN 11 HB2 GLN 11 -0.595 0.231 -4.767 81 2HB GLN 11 HB1 GLN 11 0.419 0.054 -3.341 82 1HG GLN 11 HG2 GLN 11 1.203 -2.071 -4.067 83 2HG GLN 11 HG1 GLN 11 0.019 -2.120 -5.384 84 1HE2 GLN 11 HE21 GLN 11 0.305 -0.717 -7.161 85 2HE2 GLN 11 HE22 GLN 11 1.862 -0.042 -7.546 86 H PHE 12 HN PHE 12 -0.521 -0.118 -1.129 87 HA PHE 12 HA PHE 12 -2.766 1.736 -0.833 88 1HB PHE 12 HB2 PHE 12 -1.730 -0.091 1.347 89 2HB PHE 12 HB1 PHE 12 -2.869 1.231 1.593 90 HD1 PHE 12 HD1 PHE 12 -5.183 1.011 0.961 91 HD2 PHE 12 HD2 PHE 12 -2.402 -2.105 0.182 92 HE1 PHE 12 HE1 PHE 12 -7.052 -0.542 0.511 93 HE2 PHE 12 HE2 PHE 12 -4.265 -3.661 -0.266 94 HZ PHE 12 HZ PHE 12 -6.579 -2.873 -0.122 95 H GLN 13 HN GLN 13 -2.239 3.085 1.227 96 HA GLN 13 HA GLN 13 0.564 3.626 1.634 97 1HB GLN 13 HB2 GLN 13 0.301 6.064 1.160 98 2HB GLN 13 HB1 GLN 13 0.184 5.067 -0.279 99 1HG GLN 13 HG2 GLN 13 -2.303 5.219 -0.106 100 2HG GLN 13 HG1 GLN 13 -2.070 6.356 1.221 101 1HE2 GLN 13 HE21 GLN 13 -3.324 6.646 -1.421 102 2HE2 GLN 13 HE22 GLN 13 -2.509 7.970 -2.196 103 H VAL 14 HN VAL 14 0.843 5.198 3.454 104 HA VAL 14 HA VAL 14 -1.281 4.712 5.379 105 HB VAL 14 HB VAL 14 1.460 5.944 5.822 106 1HG1 VAL 14 HG11 VAL 14 0.997 5.553 8.215 107 2HG1 VAL 14 HG12 VAL 14 -0.608 4.939 7.800 108 3HG1 VAL 14 HG13 VAL 14 -0.198 6.630 7.492 109 1HG2 VAL 14 HG21 VAL 14 1.632 3.618 5.099 110 2HG2 VAL 14 HG22 VAL 14 0.472 3.128 6.336 111 3HG2 VAL 14 HG23 VAL 14 2.049 3.767 6.798 112 H VAL 15 HN VAL 15 -2.746 6.245 5.887 113 HA VAL 15 HA VAL 15 -2.043 9.031 5.272 114 HB VAL 15 HB VAL 15 -4.436 9.426 4.744 115 1HG1 VAL 15 HG11 VAL 15 -3.011 7.426 3.029 116 2HG1 VAL 15 HG12 VAL 15 -2.872 9.177 2.942 117 3HG1 VAL 15 HG13 VAL 15 -4.391 8.387 2.504 118 1HG2 VAL 15 HG21 VAL 15 -4.623 6.424 4.737 119 2HG2 VAL 15 HG22 VAL 15 -5.903 7.561 4.269 120 3HG2 VAL 15 HG23 VAL 15 -5.347 7.489 5.945 121 H VAL 16 HN VAL 16 -3.172 10.584 6.546 122 HA VAL 16 HA VAL 16 -4.258 9.602 9.060 123 HB VAL 16 HB VAL 16 -1.939 9.993 9.583 124 1HG1 VAL 16 HG11 VAL 16 -1.389 11.423 7.711 125 2HG1 VAL 16 HG12 VAL 16 -0.842 12.144 9.231 126 3HG1 VAL 16 HG13 VAL 16 -2.300 12.744 8.437 127 1HG2 VAL 16 HG21 VAL 16 -3.563 12.330 10.589 128 2HG2 VAL 16 HG22 VAL 16 -2.087 11.682 11.317 129 3HG2 VAL 16 HG23 VAL 16 -3.555 10.703 11.264 130 H ASN 17 HN ASN 17 -5.896 10.862 9.883 131 HA ASN 17 HA ASN 17 -6.924 12.863 8.011 132 1HB ASN 17 HB2 ASN 17 -9.096 12.407 8.943 133 2HB ASN 17 HB1 ASN 17 -8.306 10.878 8.580 134 1HD2 ASN 17 HD21 ASN 17 -10.532 11.361 10.336 135 2HD2 ASN 17 HD22 ASN 17 -10.018 10.827 11.902 136 H HIS 18 HN HIS 18 -8.699 14.226 9.612 137 HA HIS 18 HA HIS 18 -7.060 16.175 10.828 138 1HB HIS 18 HB2 HIS 18 -10.029 15.727 10.835 139 2HB HIS 18 HB1 HIS 18 -9.284 17.021 11.778 140 HD1 HIS 18 HD1 HIS 18 -7.862 18.800 10.350 141 HD2 HIS 18 HD2 HIS 18 -10.430 16.342 8.207 142 HE1 HIS 18 HE1 HIS 18 -8.144 19.909 8.097 143 HE2 HIS 18 HE2 HIS 18 -9.855 18.494 6.901 144 H GLU 19 HN GLU 19 -8.788 13.389 12.077 145 HA GLU 19 HA GLU 19 -8.453 14.119 14.834 146 1HB GLU 19 HB2 GLU 19 -10.341 12.761 13.885 147 2HB GLU 19 HB1 GLU 19 -9.195 11.449 13.664 148 1HG GLU 19 HG2 GLU 19 -8.829 11.321 16.045 149 2HG GLU 19 HG1 GLU 19 -9.870 12.727 16.300 150 H GLU 20 HN GLU 20 -6.196 13.433 12.722 151 HA GLU 20 HA GLU 20 -4.076 12.649 12.762 152 1HB GLU 20 HB2 GLU 20 -4.208 14.027 14.947 153 2HB GLU 20 HB1 GLU 20 -4.293 12.463 15.757 154 1HG GLU 20 HG2 GLU 20 -2.140 11.846 14.883 155 2HG GLU 20 HG1 GLU 20 -2.071 13.311 13.925 156 H GLN 21 HN GLN 21 -6.314 10.755 12.707 157 HA GLN 21 HA GLN 21 -5.409 8.407 14.090 158 1HB GLN 21 HB2 GLN 21 -7.808 8.847 13.813 159 2HB GLN 21 HB1 GLN 21 -7.623 8.810 12.063 160 1HG GLN 21 HG2 GLN 21 -6.900 6.457 12.238 161 2HG GLN 21 HG1 GLN 21 -7.232 6.520 13.969 162 1HE2 GLN 21 HE21 GLN 21 -9.115 8.216 11.617 163 2HE2 GLN 21 HE22 GLN 21 -10.568 7.282 11.782 164 H TYR 22 HN TYR 22 -4.177 6.817 13.222 165 HA TYR 22 HA TYR 22 -3.082 7.203 10.570 166 1HB TYR 22 HB2 TYR 22 -2.478 5.090 12.657 167 2HB TYR 22 HB1 TYR 22 -1.593 5.313 11.145 168 HD1 TYR 22 HD1 TYR 22 -1.672 6.091 14.570 169 HD2 TYR 22 HD2 TYR 22 -0.538 7.694 10.810 170 HE1 TYR 22 HE1 TYR 22 -0.128 7.623 15.708 171 HE2 TYR 22 HE2 TYR 22 1.026 9.247 11.952 172 HH TYR 22 HH TYR 22 1.293 10.287 14.190 173 H SER 23 HN SER 23 -3.911 6.257 8.813 174 HA SER 23 HA SER 23 -5.195 3.637 9.085 175 1HB SER 23 HB2 SER 23 -6.491 6.059 7.770 176 2HB SER 23 HB1 SER 23 -7.100 4.405 7.676 177 HG SER 23 HG SER 23 -6.610 5.192 10.238 178 H ILE 24 HN ILE 24 -5.863 2.935 6.690 179 HA ILE 24 HA ILE 24 -3.557 3.615 4.969 180 HB ILE 24 HB ILE 24 -3.661 1.374 3.986 181 1HG1 ILE 24 HG12 ILE 24 -5.708 0.779 6.137 182 2HG1 ILE 24 HG11 ILE 24 -6.063 0.952 4.423 183 1HG2 ILE 24 HG21 ILE 24 -3.403 1.344 6.988 184 2HG2 ILE 24 HG22 ILE 24 -2.137 1.780 5.841 185 3HG2 ILE 24 HG23 ILE 24 -2.766 0.137 5.889 186 1HD1 ILE 24 HD11 ILE 24 -4.315 -1.175 5.643 187 2HD1 ILE 24 HD12 ILE 24 -4.653 -0.983 3.931 188 3HD1 ILE 24 HD13 ILE 24 -5.956 -1.390 5.046 189 H TRP 25 HN TRP 25 -3.901 3.948 2.804 190 HA TRP 25 HA TRP 25 -6.648 3.754 1.809 191 1HB TRP 25 HB2 TRP 25 -6.241 6.081 2.596 192 2HB TRP 25 HB1 TRP 25 -4.881 6.197 1.503 193 HD1 TRP 25 HD1 TRP 25 -5.370 7.126 -0.839 194 HE1 TRP 25 HE1 TRP 25 -7.497 7.634 -2.199 195 HE3 TRP 25 HE3 TRP 25 -8.851 5.094 2.299 196 HZ2 TRP 25 HZ2 TRP 25 -10.286 7.191 -1.977 197 HZ3 TRP 25 HZ3 TRP 25 -11.231 5.157 1.639 198 HH2 TRP 25 HH2 TRP 25 -11.916 6.205 -0.447 199 HA PRO 26 HA PRO 26 -4.575 1.709 -1.565 200 1HB PRO 26 HB2 PRO 26 -6.459 2.509 -3.507 201 2HB PRO 26 HB1 PRO 26 -6.500 1.022 -2.557 202 1HG PRO 26 HG2 PRO 26 -7.955 3.577 -2.141 203 2HG PRO 26 HG1 PRO 26 -8.466 1.918 -1.792 204 1HD PRO 26 HD2 PRO 26 -7.724 3.615 0.147 205 2HD PRO 26 HD1 PRO 26 -7.356 1.870 0.238 206 H GLU 27 HN GLU 27 -3.098 2.286 -3.092 207 HA GLU 27 HA GLU 27 -2.234 4.978 -3.026 208 1HB GLU 27 HB2 GLU 27 -0.663 3.103 -3.115 209 2HB GLU 27 HB1 GLU 27 -1.254 2.660 -4.697 210 1HG GLU 27 HG2 GLU 27 -0.495 4.824 -5.575 211 2HG GLU 27 HG1 GLU 27 0.182 5.205 -3.967 212 H TYR 28 HN TYR 28 -3.873 3.025 -5.431 213 HA TYR 28 HA TYR 28 -3.525 4.868 -7.567 214 1HB TYR 28 HB2 TYR 28 -5.166 3.496 -8.751 215 2HB TYR 28 HB1 TYR 28 -3.932 2.507 -7.991 216 HD1 TYR 28 HD1 TYR 28 -4.496 1.205 -5.965 217 HD2 TYR 28 HD2 TYR 28 -7.465 3.271 -8.191 218 HE1 TYR 28 HE1 TYR 28 -6.246 -0.177 -4.899 219 HE2 TYR 28 HE2 TYR 28 -9.225 1.922 -7.097 220 HH TYR 28 HH TYR 28 -9.372 -0.354 -6.015 221 H LYS 29 HN LYS 29 -5.648 4.848 -4.894 222 HA LYS 29 HA LYS 29 -7.681 6.431 -6.237 223 1HB LYS 29 HB2 LYS 29 -7.510 5.289 -3.472 224 2HB LYS 29 HB1 LYS 29 -8.749 6.449 -3.947 225 1HG LYS 29 HG2 LYS 29 -9.473 4.858 -5.693 226 2HG LYS 29 HG1 LYS 29 -8.269 3.710 -5.090 227 1HD LYS 29 HD2 LYS 29 -9.367 3.714 -2.903 228 2HD LYS 29 HD1 LYS 29 -10.538 4.896 -3.478 229 1HE LYS 29 HE2 LYS 29 -11.371 3.278 -5.128 230 2HE LYS 29 HE1 LYS 29 -10.162 2.105 -4.606 231 1HZ LYS 29 HZ1 LYS 29 -12.366 3.194 -2.934 232 2HZ LYS 29 HZ2 LYS 29 -11.210 2.082 -2.413 233 3HZ LYS 29 HZ3 LYS 29 -12.315 1.640 -3.617 234 H GLU 30 HN GLU 30 -8.271 8.510 -5.542 235 HA GLU 30 HA GLU 30 -6.041 10.141 -4.731 236 1HB GLU 30 HB2 GLU 30 -7.799 10.856 -6.398 237 2HB GLU 30 HB1 GLU 30 -8.957 10.911 -5.070 238 1HG GLU 30 HG2 GLU 30 -7.560 12.612 -3.962 239 2HG GLU 30 HG1 GLU 30 -6.481 12.616 -5.360 240 H ILE 31 HN ILE 31 -5.643 11.004 -2.755 241 HA ILE 31 HA ILE 31 -6.852 9.862 -0.471 242 HB ILE 31 HB ILE 31 -5.147 12.336 -0.666 243 1HG1 ILE 31 HG12 ILE 31 -4.301 9.501 -0.038 244 2HG1 ILE 31 HG11 ILE 31 -4.069 10.288 -1.593 245 1HG2 ILE 31 HG21 ILE 31 -6.288 12.286 1.451 246 2HG2 ILE 31 HG22 ILE 31 -4.598 11.855 1.706 247 3HG2 ILE 31 HG23 ILE 31 -5.829 10.605 1.696 248 1HD1 ILE 31 HD11 ILE 31 -2.596 11.923 -0.547 249 2HD1 ILE 31 HD12 ILE 31 -2.030 10.286 -0.245 250 3HD1 ILE 31 HD13 ILE 31 -2.883 11.173 1.025 251 HA PRO 32 HA PRO 32 -10.531 12.411 -0.215 252 1HB PRO 32 HB2 PRO 32 -10.225 11.692 2.672 253 2HB PRO 32 HB1 PRO 32 -11.643 11.576 1.616 254 1HG PRO 32 HG2 PRO 32 -10.263 9.391 2.272 255 2HG PRO 32 HG1 PRO 32 -10.917 9.603 0.622 256 1HD PRO 32 HD2 PRO 32 -8.106 9.898 1.612 257 2HD PRO 32 HD1 PRO 32 -8.695 9.263 0.066 258 H GLN 33 HN GLN 33 -11.083 14.457 0.712 259 HA GLN 33 HA GLN 33 -8.788 16.047 1.289 260 1HB GLN 33 HB2 GLN 33 -10.719 16.759 -0.142 261 2HB GLN 33 HB1 GLN 33 -11.685 16.887 1.319 262 1HG GLN 33 HG2 GLN 33 -10.467 18.709 2.103 263 2HG GLN 33 HG1 GLN 33 -9.095 18.370 1.049 264 1HE2 GLN 33 HE21 GLN 33 -9.206 18.915 -1.130 265 2HE2 GLN 33 HE22 GLN 33 -10.364 20.059 -1.727 266 H GLY 34 HN GLY 34 -8.042 16.585 3.243 267 1HA GLY 34 HA2 GLY 34 -8.494 17.209 5.583 268 2HA GLY 34 HA1 GLY 34 -9.755 15.970 5.575 269 H TRP 35 HN TRP 35 -7.811 14.371 3.856 270 HA TRP 35 HA TRP 35 -6.208 13.293 6.070 271 1HB TRP 35 HB2 TRP 35 -7.035 11.935 3.465 272 2HB TRP 35 HB1 TRP 35 -6.154 11.174 4.793 273 HD1 TRP 35 HD1 TRP 35 -9.625 12.867 4.274 274 HE1 TRP 35 HE1 TRP 35 -11.366 11.526 5.638 275 HE3 TRP 35 HE3 TRP 35 -6.507 9.452 6.444 276 HZ2 TRP 35 HZ2 TRP 35 -11.384 9.320 7.379 277 HZ3 TRP 35 HZ3 TRP 35 -7.463 7.765 7.954 278 HH2 TRP 35 HH2 TRP 35 -9.866 7.708 8.405 279 H ARG 36 HN ARG 36 -3.995 12.709 5.602 280 HA ARG 36 HA ARG 36 -2.957 13.357 2.956 281 1HB ARG 36 HB2 ARG 36 -1.141 14.702 3.750 282 2HB ARG 36 HB1 ARG 36 -2.626 15.394 4.362 283 1HG ARG 36 HG2 ARG 36 -0.926 13.537 5.993 284 2HG ARG 36 HG1 ARG 36 -0.643 15.271 5.923 285 1HD ARG 36 HD2 ARG 36 -3.280 14.061 6.702 286 2HD ARG 36 HD1 ARG 36 -2.027 14.492 7.857 287 HE ARG 36 HE ARG 36 -2.676 16.669 6.131 288 1HH1 ARG 36 HH11 ARG 36 -3.843 14.887 8.915 289 2HH1 ARG 36 HH12 ARG 36 -4.655 16.252 9.614 290 1HH2 ARG 36 HH21 ARG 36 -3.725 18.470 7.065 291 2HH2 ARG 36 HH22 ARG 36 -4.558 18.296 8.578 292 H ALA 37 HN ALA 37 -0.842 12.403 2.556 293 HA ALA 37 HA ALA 37 -0.735 9.790 3.712 294 1HB ALA 37 HB1 ALA 37 0.931 9.302 2.016 295 2HB ALA 37 HB2 ALA 37 1.001 11.018 1.599 296 3HB ALA 37 HB3 ALA 37 -0.473 10.110 1.303 297 H ALA 38 HN ALA 38 0.802 8.945 5.013 298 HA ALA 38 HA ALA 38 3.046 10.653 5.797 299 1HB ALA 38 HB1 ALA 38 1.267 9.160 7.755 300 2HB ALA 38 HB2 ALA 38 1.264 10.905 7.493 301 3HB ALA 38 HB3 ALA 38 2.694 10.124 8.157 302 H GLY 39 HN GLY 39 4.923 9.561 6.313 303 1HA GLY 39 HA2 GLY 39 6.350 7.737 6.615 304 2HA GLY 39 HA1 GLY 39 4.940 6.664 6.462 305 H LYS 40 HN LYS 40 4.366 5.859 4.468 306 HA LYS 40 HA LYS 40 5.370 6.851 2.036 307 1HB LYS 40 HB2 LYS 40 6.836 4.969 1.410 308 2HB LYS 40 HB1 LYS 40 7.497 5.984 2.690 309 1HG LYS 40 HG2 LYS 40 6.650 4.263 4.337 310 2HG LYS 40 HG1 LYS 40 6.307 3.226 2.953 311 1HD LYS 40 HD2 LYS 40 8.642 3.268 2.305 312 2HD LYS 40 HD1 LYS 40 8.994 4.451 3.568 313 1HE LYS 40 HE2 LYS 40 9.719 2.336 4.378 314 2HE LYS 40 HE1 LYS 40 8.238 2.748 5.242 315 1HZ LYS 40 HZ1 LYS 40 7.044 1.340 3.586 316 2HZ LYS 40 HZ2 LYS 40 8.086 0.490 4.602 317 3HZ LYS 40 HZ3 LYS 40 8.557 0.832 3.008 318 H SER 41 HN SER 41 5.155 5.067 0.283 319 HA SER 41 HA SER 41 2.511 3.831 0.742 320 1HB SER 41 HB2 SER 41 2.567 5.792 -0.811 321 2HB SER 41 HB1 SER 41 3.643 4.889 -1.863 322 HG SER 41 HG SER 41 1.962 3.904 -2.660 323 H GLY 42 HN GLY 42 2.030 1.858 -0.488 324 1HA GLY 42 HA2 GLY 42 3.700 0.360 -2.048 325 2HA GLY 42 HA1 GLY 42 4.263 0.027 -0.405 326 H LEU 43 HN LEU 43 3.635 -2.144 -0.515 327 HA LEU 43 HA LEU 43 0.919 -2.858 -1.005 328 1HB LEU 43 HB2 LEU 43 3.270 -4.366 0.106 329 2HB LEU 43 HB1 LEU 43 1.666 -5.074 0.077 330 HG LEU 43 HG LEU 43 2.835 -5.897 -1.820 331 1HD1 LEU 43 HD11 LEU 43 0.939 -3.735 -2.671 332 2HD1 LEU 43 HD12 LEU 43 0.513 -5.389 -2.219 333 3HD1 LEU 43 HD13 LEU 43 1.481 -5.075 -3.667 334 1HD2 LEU 43 HD21 LEU 43 4.587 -4.200 -1.962 335 2HD2 LEU 43 HD22 LEU 43 3.415 -3.039 -2.587 336 3HD2 LEU 43 HD23 LEU 43 3.830 -4.473 -3.530 337 H LYS 44 HN LYS 44 -0.404 -4.040 0.643 338 HA LYS 44 HA LYS 44 -1.147 -2.266 2.635 339 1HB LYS 44 HB2 LYS 44 -2.535 -4.104 1.630 340 2HB LYS 44 HB1 LYS 44 -1.689 -5.228 2.665 341 1HG LYS 44 HG2 LYS 44 -2.447 -3.772 4.598 342 2HG LYS 44 HG1 LYS 44 -3.571 -3.053 3.445 343 1HD LYS 44 HD2 LYS 44 -3.408 -5.954 4.277 344 2HD LYS 44 HD1 LYS 44 -4.712 -4.817 4.626 345 1HE LYS 44 HE2 LYS 44 -5.629 -5.930 2.842 346 2HE LYS 44 HE1 LYS 44 -4.770 -4.648 1.992 347 1HZ LYS 44 HZ1 LYS 44 -4.411 -6.886 1.038 348 2HZ LYS 44 HZ2 LYS 44 -3.643 -7.361 2.476 349 3HZ LYS 44 HZ3 LYS 44 -2.986 -6.126 1.515 350 H LYS 45 HN LYS 45 0.697 -5.263 2.952 351 HA LYS 45 HA LYS 45 0.882 -5.285 5.722 352 1HB LYS 45 HB2 LYS 45 2.820 -6.814 5.385 353 2HB LYS 45 HB1 LYS 45 1.358 -7.263 4.520 354 1HG LYS 45 HG2 LYS 45 2.969 -7.643 2.938 355 2HG LYS 45 HG1 LYS 45 2.473 -5.986 2.544 356 1HD LYS 45 HD2 LYS 45 4.404 -5.101 3.771 357 2HD LYS 45 HD1 LYS 45 4.879 -6.746 4.227 358 1HE LYS 45 HE2 LYS 45 5.235 -7.324 1.905 359 2HE LYS 45 HE1 LYS 45 4.686 -5.728 1.396 360 1HZ LYS 45 HZ1 LYS 45 6.574 -4.715 2.399 361 2HZ LYS 45 HZ2 LYS 45 7.134 -6.038 1.497 362 3HZ LYS 45 HZ3 LYS 45 7.015 -6.156 3.185 363 H ASP 46 HN ASP 46 2.722 -3.505 3.391 364 HA ASP 46 HA ASP 46 4.861 -2.800 5.110 365 1HB ASP 46 HB2 ASP 46 5.063 -2.777 2.640 366 2HB ASP 46 HB1 ASP 46 3.910 -1.452 2.567 367 H CYS 47 HN CYS 47 1.775 -1.427 4.226 368 HA CYS 47 HA CYS 47 2.165 1.105 5.447 369 1HB CYS 47 HB2 CYS 47 -0.412 -0.339 4.770 370 2HB CYS 47 HB1 CYS 47 -0.207 1.404 5.043 371 HG CYS 47 HG CYS 47 1.306 -0.252 2.463 372 H LEU 48 HN LEU 48 0.385 -1.827 6.339 373 HA LEU 48 HA LEU 48 -0.560 -1.033 8.823 374 1HB LEU 48 HB2 LEU 48 0.362 -3.803 8.066 375 2HB LEU 48 HB1 LEU 48 -0.788 -3.393 9.323 376 HG LEU 48 HG LEU 48 -1.196 -3.044 6.357 377 1HD1 LEU 48 HD11 LEU 48 -2.860 -4.797 6.568 378 2HD1 LEU 48 HD12 LEU 48 -2.477 -4.964 8.284 379 3HD1 LEU 48 HD13 LEU 48 -1.266 -5.367 7.055 380 1HD2 LEU 48 HD21 LEU 48 -3.486 -2.408 6.941 381 2HD2 LEU 48 HD22 LEU 48 -2.295 -1.282 7.597 382 3HD2 LEU 48 HD23 LEU 48 -3.055 -2.469 8.648 383 H ALA 49 HN ALA 49 2.447 -2.664 7.993 384 HA ALA 49 HA ALA 49 3.562 -2.969 10.491 385 1HB ALA 49 HB1 ALA 49 5.718 -3.032 9.405 386 2HB ALA 49 HB2 ALA 49 5.023 -2.298 7.956 387 3HB ALA 49 HB3 ALA 49 4.530 -3.919 8.465 388 H TYR 50 HN TYR 50 3.621 -0.145 8.394 389 HA TYR 50 HA TYR 50 5.374 1.439 9.805 390 1HB TYR 50 HB2 TYR 50 4.597 2.111 7.609 391 2HB TYR 50 HB1 TYR 50 2.947 2.311 8.238 392 HD1 TYR 50 HD1 TYR 50 2.273 4.382 9.121 393 HD2 TYR 50 HD2 TYR 50 6.421 3.614 8.553 394 HE1 TYR 50 HE1 TYR 50 2.772 6.738 9.697 395 HE2 TYR 50 HE2 TYR 50 6.944 5.956 9.116 396 HH TYR 50 HH TYR 50 4.567 8.119 10.461 397 H ILE 51 HN ILE 51 1.847 1.150 10.290 398 HA ILE 51 HA ILE 51 1.764 3.236 12.240 399 HB ILE 51 HB ILE 51 -0.211 1.053 11.565 400 1HG1 ILE 51 HG12 ILE 51 -1.540 3.176 10.895 401 2HG1 ILE 51 HG11 ILE 51 0.015 3.981 10.933 402 1HG2 ILE 51 HG21 ILE 51 -0.613 3.325 13.504 403 2HG2 ILE 51 HG22 ILE 51 -0.469 1.609 13.935 404 3HG2 ILE 51 HG23 ILE 51 -1.846 2.183 12.960 405 1HD1 ILE 51 HD11 ILE 51 0.863 2.359 9.291 406 2HD1 ILE 51 HD12 ILE 51 -0.487 3.332 8.687 407 3HD1 ILE 51 HD13 ILE 51 -0.752 1.669 9.193 408 H GLU 52 HN GLU 52 2.146 -0.244 12.391 409 HA GLU 52 HA GLU 52 1.762 -0.557 15.127 410 1HB GLU 52 HB2 GLU 52 2.122 -2.314 13.245 411 2HB GLU 52 HB1 GLU 52 3.826 -2.190 13.681 412 1HG GLU 52 HG2 GLU 52 2.866 -4.035 14.851 413 2HG GLU 52 HG1 GLU 52 3.207 -2.738 16.021 414 H GLU 53 HN GLU 53 4.643 0.225 13.290 415 HA GLU 53 HA GLU 53 6.641 -0.062 15.090 416 1HB GLU 53 HB2 GLU 53 6.399 2.253 13.171 417 2HB GLU 53 HB1 GLU 53 7.875 1.731 13.961 418 1HG GLU 53 HG2 GLU 53 6.232 0.027 12.120 419 2HG GLU 53 HG1 GLU 53 7.660 0.947 11.629 420 H VAL 54 HN VAL 54 5.407 3.564 16.546 421 HA VAL 54 HA VAL 54 4.563 2.656 13.911 422 HB VAL 54 HB VAL 54 2.794 3.710 15.111 423 1HG1 VAL 54 HG11 VAL 54 2.995 5.966 16.088 424 2HG1 VAL 54 HG12 VAL 54 4.711 5.970 15.673 425 3HG1 VAL 54 HG13 VAL 54 4.092 4.792 16.826 426 1HG2 VAL 54 HG21 VAL 54 3.945 5.792 13.247 427 2HG2 VAL 54 HG22 VAL 54 2.258 5.685 13.754 428 3HG2 VAL 54 HG23 VAL 54 2.974 4.407 12.767 429 H TRP 55 HN TRP 55 6.732 4.960 15.415 430 HA TRP 55 HA TRP 55 7.235 6.461 13.045 431 1HB TRP 55 HB2 TRP 55 8.842 6.358 15.602 432 2HB TRP 55 HB1 TRP 55 8.949 7.597 14.370 433 HD1 TRP 55 HD1 TRP 55 7.018 6.640 17.445 434 HE1 TRP 55 HE1 TRP 55 5.181 8.385 17.913 435 HE3 TRP 55 HE3 TRP 55 7.276 9.262 13.061 436 HZ2 TRP 55 HZ2 TRP 55 4.023 10.599 16.594 437 HZ3 TRP 55 HZ3 TRP 55 5.763 11.175 12.754 438 HH2 TRP 55 HH2 TRP 55 4.186 11.834 14.483 439 H THR 56 HN THR 56 8.991 3.907 14.762 440 HA THR 56 HA THR 56 10.533 2.941 12.693 441 HB THR 56 HB THR 56 12.784 4.102 13.546 442 HG1 THR 56 HG1 THR 56 12.358 6.381 13.751 443 1HG2 THR 56 HG21 THR 56 10.988 5.288 11.426 444 2HG2 THR 56 HG22 THR 56 12.097 3.943 11.206 445 3HG2 THR 56 HG23 THR 56 12.730 5.545 11.577 446 H ASP 57 HN ASP 57 9.516 1.639 14.823 447 HA ASP 57 HA ASP 57 11.544 0.265 16.066 448 1HB ASP 57 HB2 ASP 57 11.969 2.615 17.100 449 2HB ASP 57 HB1 ASP 57 10.536 2.284 18.085 450 H MET 58 HN MET 58 10.447 0.003 18.706 451 HA MET 58 HA MET 58 7.724 -0.982 18.158 452 1HB MET 58 HB2 MET 58 9.841 -2.238 19.909 453 2HB MET 58 HB1 MET 58 8.176 -2.802 19.801 454 1HG MET 58 HG2 MET 58 8.517 -3.320 17.429 455 2HG MET 58 HG1 MET 58 10.177 -2.745 17.534 456 1HE MET 58 HE1 MET 58 11.723 -5.365 20.009 457 2HE MET 58 HE2 MET 58 11.001 -3.820 20.425 458 3HE MET 58 HE3 MET 58 12.052 -3.946 19.018 459 H ARG 59 HN ARG 59 9.798 -0.683 21.012 460 HA ARG 59 HA ARG 59 9.635 0.451 22.984 461 1HB ARG 59 HB2 ARG 59 7.941 2.277 21.263 462 2HB ARG 59 HB1 ARG 59 8.363 2.631 22.932 463 1HG ARG 59 HG2 ARG 59 10.740 2.495 22.326 464 2HG ARG 59 HG1 ARG 59 10.281 2.276 20.645 465 1HD ARG 59 HD2 ARG 59 9.244 4.443 20.573 466 2HD ARG 59 HD1 ARG 59 9.527 4.684 22.307 467 HE ARG 59 HE ARG 59 11.992 4.163 21.101 468 1HH1 ARG 59 HH11 ARG 59 9.531 6.657 21.030 469 2HH1 ARG 59 HH12 ARG 59 10.638 7.930 20.603 470 1HH2 ARG 59 HH21 ARG 59 13.470 5.844 20.635 471 2HH2 ARG 59 HH22 ARG 59 12.880 7.459 20.384 472 HA PRO 60 HA PRO 60 5.927 -0.755 25.190 473 1HB PRO 60 HB2 PRO 60 5.691 1.945 26.408 474 2HB PRO 60 HB1 PRO 60 5.854 0.363 27.186 475 1HG PRO 60 HG2 PRO 60 7.897 2.104 27.126 476 2HG PRO 60 HG1 PRO 60 8.171 0.355 26.950 477 1HD PRO 60 HD2 PRO 60 8.093 2.496 24.841 478 2HD PRO 60 HD1 PRO 60 9.214 1.134 25.007 479 H LEU 61 HN LEU 61 4.242 -0.978 23.780 480 HA LEU 61 HA LEU 61 3.271 1.044 22.106 481 1HB LEU 61 HB2 LEU 61 2.290 -1.628 22.926 482 2HB LEU 61 HB1 LEU 61 1.166 -0.556 22.109 483 HG LEU 61 HG LEU 61 2.753 -0.405 20.213 484 1HD1 LEU 61 HD11 LEU 61 4.820 -0.948 21.376 485 2HD1 LEU 61 HD12 LEU 61 4.556 -2.017 20.005 486 3HD1 LEU 61 HD13 LEU 61 4.240 -2.596 21.640 487 1HD2 LEU 61 HD21 LEU 61 1.828 -3.156 20.955 488 2HD2 LEU 61 HD22 LEU 61 2.278 -2.630 19.337 489 3HD2 LEU 61 HD23 LEU 61 0.870 -1.916 20.144 490 H SER 62 HN SER 62 2.608 0.427 25.383 491 HA SER 62 HA SER 62 0.056 1.503 25.658 492 1HB SER 62 HB2 SER 62 0.879 2.031 28.042 493 2HB SER 62 HB1 SER 62 0.889 0.349 27.505 494 HG SER 62 HG SER 62 3.020 0.357 27.388 495 H LEU 63 HN LEU 63 3.022 3.126 24.979 496 HA LEU 63 HA LEU 63 2.233 5.648 26.005 497 1HB LEU 63 HB2 LEU 63 4.103 6.594 24.765 498 2HB LEU 63 HB1 LEU 63 4.596 5.160 25.646 499 HG LEU 63 HG LEU 63 4.253 3.959 23.346 500 1HD1 LEU 63 HD11 LEU 63 4.683 6.818 22.479 501 2HD1 LEU 63 HD12 LEU 63 3.244 5.844 22.174 502 3HD1 LEU 63 HD13 LEU 63 4.784 5.395 21.440 503 1HD2 LEU 63 HD21 LEU 63 6.367 4.181 24.519 504 2HD2 LEU 63 HD22 LEU 63 6.565 5.809 23.869 505 3HD2 LEU 63 HD23 LEU 63 6.582 4.426 22.773 506 H ARG 64 HN ARG 64 1.424 3.887 23.179 507 HA ARG 64 HA ARG 64 0.602 6.166 21.629 508 1HB ARG 64 HB2 ARG 64 -0.089 3.230 21.315 509 2HB ARG 64 HB1 ARG 64 -0.515 4.481 20.164 510 1HG ARG 64 HG2 ARG 64 1.958 4.968 19.972 511 2HG ARG 64 HG1 ARG 64 2.223 3.457 20.849 512 1HD ARG 64 HD2 ARG 64 2.367 3.151 18.405 513 2HD ARG 64 HD1 ARG 64 1.043 2.220 19.130 514 HE ARG 64 HE ARG 64 0.382 4.853 18.046 515 1HH1 ARG 64 HH11 ARG 64 0.465 1.377 17.489 516 2HH1 ARG 64 HH12 ARG 64 -0.833 1.398 16.326 517 1HH2 ARG 64 HH21 ARG 64 -1.341 4.881 16.542 518 2HH2 ARG 64 HH22 ARG 64 -1.875 3.403 15.794 519 H GLN 65 HN GLN 65 -0.846 4.063 24.022 520 HA GLN 65 HA GLN 65 -3.510 5.056 23.622 521 1HB GLN 65 HB2 GLN 65 -2.210 3.371 25.737 522 2HB GLN 65 HB1 GLN 65 -3.809 4.051 26.012 523 1HG GLN 65 HG2 GLN 65 -4.057 1.832 25.194 524 2HG GLN 65 HG1 GLN 65 -4.589 2.947 23.939 525 1HE2 GLN 65 HE21 GLN 65 -4.316 1.561 22.250 526 2HE2 GLN 65 HE22 GLN 65 -2.749 1.025 21.730 527 H HIS 66 HN HIS 66 -0.696 6.123 25.271 528 HA HIS 66 HA HIS 66 -2.059 8.023 26.952 529 1HB HIS 66 HB2 HIS 66 0.295 7.100 27.323 530 2HB HIS 66 HB1 HIS 66 0.815 8.182 26.030 531 HD1 HIS 66 HD1 HIS 66 0.028 8.080 29.626 532 HD2 HIS 66 HD2 HIS 66 0.582 10.963 26.686 533 HE1 HIS 66 HE1 HIS 66 0.333 10.233 30.879 534 HE2 HIS 66 HE2 HIS 66 0.491 12.005 29.073 535 H MET 67 HN MET 67 -0.804 7.926 23.698 536 HA MET 67 HA MET 67 -1.192 10.710 23.131 537 1HB MET 67 HB2 MET 67 -0.973 8.323 21.266 538 2HB MET 67 HB1 MET 67 -0.913 10.001 20.766 539 1HG MET 67 HG2 MET 67 1.064 8.697 22.604 540 2HG MET 67 HG1 MET 67 1.272 8.886 20.864 541 1HE MET 67 HE1 MET 67 1.380 12.773 20.477 542 2HE MET 67 HE2 MET 67 -0.047 11.738 20.380 543 3HE MET 67 HE3 MET 67 1.470 11.228 19.640 544 H ASP 68 HN ASP 68 -3.090 7.810 23.086 545 HA ASP 68 HA ASP 68 -5.271 8.815 21.548 546 1HB ASP 68 HB2 ASP 68 -4.742 6.373 21.923 547 2HB ASP 68 HB1 ASP 68 -5.311 6.580 23.583 548 H LYS 69 HN LYS 69 -6.596 10.378 22.170 549 HA LYS 69 HA LYS 69 -7.007 10.809 25.072 550 1HB LYS 69 HB2 LYS 69 -6.588 12.915 22.939 551 2HB LYS 69 HB1 LYS 69 -6.985 13.257 24.622 552 1HG LYS 69 HG2 LYS 69 -4.894 12.303 25.346 553 2HG LYS 69 HG1 LYS 69 -4.498 11.828 23.692 554 1HD LYS 69 HD2 LYS 69 -3.301 13.829 24.237 555 2HD LYS 69 HD1 LYS 69 -4.530 14.215 23.042 556 1HE LYS 69 HE2 LYS 69 -4.462 15.928 24.759 557 2HE LYS 69 HE1 LYS 69 -5.998 15.063 24.820 558 1HZ LYS 69 HZ1 LYS 69 -4.950 15.485 27.009 559 2HZ LYS 69 HZ2 LYS 69 -3.685 14.437 26.581 560 3HZ LYS 69 HZ3 LYS 69 -5.269 13.848 26.709 561 H ALA 70 HN ALA 70 -8.790 12.726 25.159 562 HA ALA 70 HA ALA 70 -10.995 13.215 25.093 563 1HB ALA 70 HB1 ALA 70 -12.112 13.282 22.969 564 2HB ALA 70 HB2 ALA 70 -10.850 12.278 22.251 565 3HB ALA 70 HB3 ALA 70 -10.467 13.894 22.810 566 H ALA 71 HN ALA 71 -11.228 10.538 22.809 567 HA ALA 71 HA ALA 71 -13.358 9.330 24.319 568 1HB ALA 71 HB1 ALA 71 -13.448 7.683 22.559 569 2HB ALA 71 HB2 ALA 71 -11.909 8.262 21.901 570 3HB ALA 71 HB3 ALA 71 -13.330 9.303 21.865 571 H GLY 72 HN GLY 72 -9.995 9.170 24.518 572 1HA GLY 72 HA2 GLY 72 -10.040 6.466 25.645 573 2HA GLY 72 HA1 GLY 72 -8.607 7.412 25.274 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -1.108 -28.055 -5.722 2 2H MET 1 HT2 MET 1 -0.041 -29.366 -5.815 3 3H MET 1 HT3 MET 1 0.345 -27.894 -6.577 4 HA MET 1 HA MET 1 0.059 -28.292 -3.658 5 1HB MET 1 HB2 MET 1 2.103 -29.330 -4.597 6 2HB MET 1 HB1 MET 1 2.526 -27.800 -5.345 7 1HG MET 1 HG2 MET 1 2.805 -26.774 -3.186 8 2HG MET 1 HG1 MET 1 2.220 -28.206 -2.381 9 1HE MET 1 HE1 MET 1 3.629 -30.574 -3.975 10 2HE MET 1 HE2 MET 1 3.493 -30.459 -2.231 11 3HE MET 1 HE3 MET 1 5.057 -30.793 -2.966 12 H THR 2 HN THR 2 -0.605 -26.510 -2.719 13 HA THR 2 HA THR 2 -0.581 -23.998 -4.186 14 HB THR 2 HB THR 2 -1.654 -24.453 -1.404 15 HG1 THR 2 HG1 THR 2 -2.422 -25.653 -3.670 16 1HG2 THR 2 HG21 THR 2 -3.170 -22.640 -1.989 17 2HG2 THR 2 HG22 THR 2 -2.503 -22.583 -3.617 18 3HG2 THR 2 HG23 THR 2 -1.505 -22.137 -2.239 19 H SER 3 HN SER 3 1.256 -22.896 -4.132 20 HA SER 3 HA SER 3 2.410 -22.283 -1.502 21 1HB SER 3 HB2 SER 3 4.031 -23.107 -3.912 22 2HB SER 3 HB1 SER 3 4.682 -22.567 -2.379 23 HG SER 3 HG SER 3 3.667 -24.373 -1.386 24 H VAL 4 HN VAL 4 0.754 -20.926 -3.689 25 HA VAL 4 HA VAL 4 2.376 -18.901 -4.817 26 HB VAL 4 HB VAL 4 0.197 -19.458 -5.771 27 1HG1 VAL 4 HG11 VAL 4 -0.990 -18.250 -3.291 28 2HG1 VAL 4 HG12 VAL 4 -1.032 -19.949 -3.744 29 3HG1 VAL 4 HG13 VAL 4 -1.893 -18.761 -4.714 30 1HG2 VAL 4 HG21 VAL 4 -0.698 -17.143 -6.054 31 2HG2 VAL 4 HG22 VAL 4 1.032 -17.285 -6.318 32 3HG2 VAL 4 HG23 VAL 4 0.424 -16.616 -4.797 33 H PHE 5 HN PHE 5 0.471 -19.089 -1.864 34 HA PHE 5 HA PHE 5 0.394 -17.837 0.004 35 1HB PHE 5 HB2 PHE 5 2.794 -18.221 0.126 36 2HB PHE 5 HB1 PHE 5 3.102 -16.853 -0.933 37 HD1 PHE 5 HD1 PHE 5 3.574 -14.784 -0.009 38 HD2 PHE 5 HD2 PHE 5 1.508 -17.682 2.320 39 HE1 PHE 5 HE1 PHE 5 3.706 -13.290 1.937 40 HE2 PHE 5 HE2 PHE 5 1.633 -16.189 4.289 41 HZ PHE 5 HZ PHE 5 2.739 -13.989 4.094 42 H ASP 6 HN ASP 6 2.024 -15.590 -2.224 43 HA ASP 6 HA ASP 6 0.042 -13.552 -1.501 44 1HB ASP 6 HB2 ASP 6 2.332 -12.890 -1.095 45 2HB ASP 6 HB1 ASP 6 2.774 -13.296 -2.755 46 H ARG 7 HN ARG 7 -1.650 -13.713 -2.815 47 HA ARG 7 HA ARG 7 -1.141 -13.640 -5.734 48 1HB ARG 7 HB2 ARG 7 -2.357 -15.683 -4.827 49 2HB ARG 7 HB1 ARG 7 -3.651 -14.622 -4.325 50 1HG ARG 7 HG2 ARG 7 -4.265 -15.666 -6.377 51 2HG ARG 7 HG1 ARG 7 -3.950 -13.950 -6.694 52 1HD ARG 7 HD2 ARG 7 -1.756 -14.507 -7.571 53 2HD ARG 7 HD1 ARG 7 -1.996 -16.213 -7.187 54 HE ARG 7 HE ARG 7 -4.100 -15.592 -8.801 55 1HH1 ARG 7 HH11 ARG 7 -0.619 -15.378 -9.102 56 2HH1 ARG 7 HH12 ARG 7 -0.613 -15.572 -10.819 57 1HH2 ARG 7 HH21 ARG 7 -4.105 -15.848 -11.103 58 2HH2 ARG 7 HH22 ARG 7 -2.606 -15.844 -11.979 59 H ASP 8 HN ASP 8 -1.749 -11.808 -3.179 60 HA ASP 8 HA ASP 8 -3.940 -10.215 -4.234 61 1HB ASP 8 HB2 ASP 8 -4.161 -10.683 -1.920 62 2HB ASP 8 HB1 ASP 8 -2.483 -10.246 -1.589 63 H ASP 9 HN ASP 9 -3.357 -8.808 -5.760 64 HA ASP 9 HA ASP 9 -0.858 -7.308 -5.372 65 1HB ASP 9 HB2 ASP 9 -0.974 -8.611 -7.470 66 2HB ASP 9 HB1 ASP 9 -2.440 -7.720 -7.921 67 H ILE 10 HN ILE 10 -1.137 -5.393 -4.564 68 HA ILE 10 HA ILE 10 -2.667 -3.363 -5.643 69 HB ILE 10 HB ILE 10 -4.601 -4.628 -4.802 70 1HG1 ILE 10 HG12 ILE 10 -4.078 -2.047 -3.296 71 2HG1 ILE 10 HG11 ILE 10 -4.716 -2.183 -4.936 72 1HG2 ILE 10 HG21 ILE 10 -3.571 -5.750 -2.921 73 2HG2 ILE 10 HG22 ILE 10 -4.993 -4.847 -2.401 74 3HG2 ILE 10 HG23 ILE 10 -3.380 -4.211 -2.087 75 1HD1 ILE 10 HD11 ILE 10 -6.086 -3.187 -2.457 76 2HD1 ILE 10 HD12 ILE 10 -6.699 -3.267 -4.095 77 3HD1 ILE 10 HD13 ILE 10 -6.469 -1.712 -3.332 78 H GLN 11 HN GLN 11 -2.014 -1.419 -4.802 79 HA GLN 11 HA GLN 11 -0.061 -1.623 -2.608 80 1HB GLN 11 HB2 GLN 11 -0.309 0.290 -4.922 81 2HB GLN 11 HB1 GLN 11 0.754 0.613 -3.560 82 1HG GLN 11 HG2 GLN 11 1.948 -1.465 -4.019 83 2HG GLN 11 HG1 GLN 11 0.884 -1.781 -5.384 84 1HE2 GLN 11 HE21 GLN 11 2.066 1.382 -4.539 85 2HE2 GLN 11 HE22 GLN 11 3.065 1.596 -5.936 86 H PHE 12 HN PHE 12 -0.127 -0.287 -0.871 87 HA PHE 12 HA PHE 12 -2.482 1.454 -0.606 88 1HB PHE 12 HB2 PHE 12 -1.330 -0.525 1.376 89 2HB PHE 12 HB1 PHE 12 -2.398 0.790 1.887 90 HD1 PHE 12 HD1 PHE 12 -4.754 0.761 1.329 91 HD2 PHE 12 HD2 PHE 12 -2.137 -2.378 0.101 92 HE1 PHE 12 HE1 PHE 12 -6.703 -0.656 0.814 93 HE2 PHE 12 HE2 PHE 12 -4.097 -3.797 -0.420 94 HZ PHE 12 HZ PHE 12 -6.378 -2.928 -0.072 95 H GLN 13 HN GLN 13 -2.219 2.992 1.200 96 HA GLN 13 HA GLN 13 0.497 3.776 1.876 97 1HB GLN 13 HB2 GLN 13 0.006 6.139 1.275 98 2HB GLN 13 HB1 GLN 13 0.045 5.078 -0.131 99 1HG GLN 13 HG2 GLN 13 -2.410 4.956 -0.084 100 2HG GLN 13 HG1 GLN 13 -2.419 6.059 1.283 101 1HE2 GLN 13 HE21 GLN 13 -3.583 6.280 -1.389 102 2HE2 GLN 13 HE22 GLN 13 -2.940 7.749 -2.074 103 H VAL 14 HN VAL 14 0.449 5.391 3.693 104 HA VAL 14 HA VAL 14 -1.860 4.895 5.397 105 HB VAL 14 HB VAL 14 0.797 6.153 6.150 106 1HG1 VAL 14 HG11 VAL 14 0.108 5.572 8.443 107 2HG1 VAL 14 HG12 VAL 14 -1.417 4.935 7.820 108 3HG1 VAL 14 HG13 VAL 14 -1.060 6.654 7.669 109 1HG2 VAL 14 HG21 VAL 14 1.411 3.974 7.057 110 2HG2 VAL 14 HG22 VAL 14 1.169 3.889 5.317 111 3HG2 VAL 14 HG23 VAL 14 -0.067 3.264 6.414 112 H VAL 15 HN VAL 15 -3.348 6.478 5.708 113 HA VAL 15 HA VAL 15 -2.478 9.226 5.150 114 HB VAL 15 HB VAL 15 -4.784 9.768 4.624 115 1HG1 VAL 15 HG11 VAL 15 -5.034 8.524 2.532 116 2HG1 VAL 15 HG12 VAL 15 -3.787 7.395 3.071 117 3HG1 VAL 15 HG13 VAL 15 -3.381 9.093 2.796 118 1HG2 VAL 15 HG21 VAL 15 -6.499 8.066 4.399 119 2HG2 VAL 15 HG22 VAL 15 -5.925 8.161 6.074 120 3HG2 VAL 15 HG23 VAL 15 -5.390 6.847 5.022 121 H VAL 16 HN VAL 16 -3.153 10.877 6.603 122 HA VAL 16 HA VAL 16 -4.549 9.996 9.010 123 HB VAL 16 HB VAL 16 -2.117 9.799 9.491 124 1HG1 VAL 16 HG11 VAL 16 -1.259 11.576 8.097 125 2HG1 VAL 16 HG12 VAL 16 -0.765 11.802 9.777 126 3HG1 VAL 16 HG13 VAL 16 -2.064 12.780 9.108 127 1HG2 VAL 16 HG21 VAL 16 -3.693 10.201 11.302 128 2HG2 VAL 16 HG22 VAL 16 -3.560 11.938 11.044 129 3HG2 VAL 16 HG23 VAL 16 -2.167 11.024 11.631 130 H ASN 17 HN ASN 17 -5.604 11.601 10.106 131 HA ASN 17 HA ASN 17 -5.986 14.115 8.615 132 1HB ASN 17 HB2 ASN 17 -7.977 12.651 8.934 133 2HB ASN 17 HB1 ASN 17 -7.784 12.773 10.670 134 1HD2 ASN 17 HD21 ASN 17 -9.731 13.725 11.038 135 2HD2 ASN 17 HD22 ASN 17 -10.109 15.344 10.540 136 H HIS 18 HN HIS 18 -6.367 16.050 9.992 137 HA HIS 18 HA HIS 18 -4.344 16.335 11.961 138 1HB HIS 18 HB2 HIS 18 -5.317 18.628 12.306 139 2HB HIS 18 HB1 HIS 18 -4.881 18.244 10.640 140 HD1 HIS 18 HD1 HIS 18 -6.763 18.117 8.920 141 HD2 HIS 18 HD2 HIS 18 -8.064 18.897 12.784 142 HE1 HIS 18 HE1 HIS 18 -9.161 18.872 8.694 143 HE2 HIS 18 HE2 HIS 18 -9.937 19.297 11.059 144 H GLU 19 HN GLU 19 -6.519 14.381 12.515 145 HA GLU 19 HA GLU 19 -7.290 15.350 15.201 146 1HB GLU 19 HB2 GLU 19 -9.176 14.692 13.658 147 2HB GLU 19 HB1 GLU 19 -8.507 13.059 13.621 148 1HG GLU 19 HG2 GLU 19 -10.302 13.069 15.167 149 2HG GLU 19 HG1 GLU 19 -8.805 12.975 16.102 150 H GLU 20 HN GLU 20 -5.106 13.677 13.498 151 HA GLU 20 HA GLU 20 -3.514 12.141 13.867 152 1HB GLU 20 HB2 GLU 20 -3.343 13.365 16.043 153 2HB GLU 20 HB1 GLU 20 -4.369 12.116 16.774 154 1HG GLU 20 HG2 GLU 20 -2.681 10.433 16.083 155 2HG GLU 20 HG1 GLU 20 -1.662 11.735 15.505 156 H GLN 21 HN GLN 21 -6.294 11.374 13.227 157 HA GLN 21 HA GLN 21 -6.319 8.651 14.262 158 1HB GLN 21 HB2 GLN 21 -8.306 10.199 12.609 159 2HB GLN 21 HB1 GLN 21 -8.449 8.477 12.925 160 1HG GLN 21 HG2 GLN 21 -8.464 9.027 15.367 161 2HG GLN 21 HG1 GLN 21 -8.570 10.736 14.906 162 1HE2 GLN 21 HE21 GLN 21 -10.438 11.490 13.953 163 2HE2 GLN 21 HE22 GLN 21 -11.936 10.621 14.023 164 H TYR 22 HN TYR 22 -5.067 7.276 13.224 165 HA TYR 22 HA TYR 22 -4.242 7.811 10.493 166 1HB TYR 22 HB2 TYR 22 -3.387 5.786 12.545 167 2HB TYR 22 HB1 TYR 22 -2.821 5.724 10.882 168 HD1 TYR 22 HD1 TYR 22 -2.861 7.877 13.907 169 HD2 TYR 22 HD2 TYR 22 -1.072 7.090 10.144 170 HE1 TYR 22 HE1 TYR 22 -1.123 9.529 14.414 171 HE2 TYR 22 HE2 TYR 22 0.689 8.733 10.614 172 HH TYR 22 HH TYR 22 1.129 10.098 13.750 173 H SER 23 HN SER 23 -4.731 6.591 8.745 174 HA SER 23 HA SER 23 -6.412 4.237 9.110 175 1HB SER 23 HB2 SER 23 -7.869 6.303 8.783 176 2HB SER 23 HB1 SER 23 -7.194 6.417 7.156 177 HG SER 23 HG SER 23 -8.786 4.378 8.288 178 H ILE 24 HN ILE 24 -6.731 3.133 6.903 179 HA ILE 24 HA ILE 24 -4.191 3.324 5.435 180 HB ILE 24 HB ILE 24 -4.483 0.994 4.806 181 1HG1 ILE 24 HG12 ILE 24 -6.982 1.025 6.534 182 2HG1 ILE 24 HG11 ILE 24 -6.956 0.951 4.778 183 1HG2 ILE 24 HG21 ILE 24 -4.768 1.471 7.788 184 2HG2 ILE 24 HG22 ILE 24 -3.272 1.440 6.841 185 3HG2 ILE 24 HG23 ILE 24 -4.207 -0.034 7.046 186 1HD1 ILE 24 HD11 ILE 24 -7.358 -1.223 5.766 187 2HD1 ILE 24 HD12 ILE 24 -5.819 -1.114 6.626 188 3HD1 ILE 24 HD13 ILE 24 -5.841 -1.201 4.860 189 H TRP 25 HN TRP 25 -4.255 3.347 3.175 190 HA TRP 25 HA TRP 25 -6.874 3.439 1.871 191 1HB TRP 25 HB2 TRP 25 -6.207 5.759 2.874 192 2HB TRP 25 HB1 TRP 25 -5.004 5.797 1.609 193 HD1 TRP 25 HD1 TRP 25 -5.769 6.720 -0.670 194 HE1 TRP 25 HE1 TRP 25 -8.046 7.424 -1.672 195 HE3 TRP 25 HE3 TRP 25 -8.875 5.019 3.023 196 HZ2 TRP 25 HZ2 TRP 25 -10.771 7.275 -0.992 197 HZ3 TRP 25 HZ3 TRP 25 -11.291 5.356 2.784 198 HH2 TRP 25 HH2 TRP 25 -12.225 6.457 0.818 199 HA PRO 26 HA PRO 26 -4.398 1.592 -1.372 200 1HB PRO 26 HB2 PRO 26 -6.364 2.840 -3.210 201 2HB PRO 26 HB1 PRO 26 -5.909 1.148 -3.047 202 1HG PRO 26 HG2 PRO 26 -8.271 2.000 -2.138 203 2HG PRO 26 HG1 PRO 26 -7.334 0.789 -1.242 204 1HD PRO 26 HD2 PRO 26 -7.636 3.724 -0.718 205 2HD PRO 26 HD1 PRO 26 -7.606 2.369 0.435 206 H GLU 27 HN GLU 27 -2.812 2.286 -2.802 207 HA GLU 27 HA GLU 27 -2.027 4.996 -2.535 208 1HB GLU 27 HB2 GLU 27 -0.421 3.064 -2.694 209 2HB GLU 27 HB1 GLU 27 -0.850 2.949 -4.402 210 1HG GLU 27 HG2 GLU 27 -0.114 5.351 -4.598 211 2HG GLU 27 HG1 GLU 27 0.584 5.181 -2.999 212 H TYR 28 HN TYR 28 -3.277 3.051 -5.195 213 HA TYR 28 HA TYR 28 -3.060 5.144 -7.112 214 1HB TYR 28 HB2 TYR 28 -4.075 3.624 -8.646 215 2HB TYR 28 HB1 TYR 28 -2.992 2.680 -7.646 216 HD1 TYR 28 HD1 TYR 28 -6.252 2.922 -8.953 217 HD2 TYR 28 HD2 TYR 28 -4.084 1.470 -5.593 218 HE1 TYR 28 HE1 TYR 28 -8.090 1.386 -8.441 219 HE2 TYR 28 HE2 TYR 28 -5.924 -0.073 -5.081 220 HH TYR 28 HH TYR 28 -8.387 -0.805 -7.259 221 H LYS 29 HN LYS 29 -5.214 4.502 -4.641 222 HA LYS 29 HA LYS 29 -7.451 5.861 -5.923 223 1HB LYS 29 HB2 LYS 29 -7.947 3.903 -4.535 224 2HB LYS 29 HB1 LYS 29 -7.175 4.682 -3.160 225 1HG LYS 29 HG2 LYS 29 -8.906 6.439 -3.201 226 2HG LYS 29 HG1 LYS 29 -9.680 5.614 -4.563 227 1HD LYS 29 HD2 LYS 29 -9.148 4.235 -1.950 228 2HD LYS 29 HD1 LYS 29 -10.614 5.166 -2.227 229 1HE LYS 29 HE2 LYS 29 -9.717 2.924 -4.007 230 2HE LYS 29 HE1 LYS 29 -10.803 2.690 -2.646 231 1HZ LYS 29 HZ1 LYS 29 -12.116 2.935 -4.597 232 2HZ LYS 29 HZ2 LYS 29 -11.272 4.334 -5.074 233 3HZ LYS 29 HZ3 LYS 29 -12.284 4.377 -3.709 234 H GLU 30 HN GLU 30 -8.074 7.951 -5.391 235 HA GLU 30 HA GLU 30 -5.967 9.605 -4.345 236 1HB GLU 30 HB2 GLU 30 -7.437 10.339 -6.200 237 2HB GLU 30 HB1 GLU 30 -8.810 10.361 -5.109 238 1HG GLU 30 HG2 GLU 30 -7.871 12.575 -5.527 239 2HG GLU 30 HG1 GLU 30 -7.774 12.125 -3.823 240 H ILE 31 HN ILE 31 -5.860 10.647 -2.408 241 HA ILE 31 HA ILE 31 -7.142 9.504 -0.188 242 HB ILE 31 HB ILE 31 -5.628 12.128 -0.406 243 1HG1 ILE 31 HG12 ILE 31 -4.635 9.357 0.295 244 2HG1 ILE 31 HG11 ILE 31 -4.352 10.192 -1.245 245 1HG2 ILE 31 HG21 ILE 31 -6.140 10.397 2.016 246 2HG2 ILE 31 HG22 ILE 31 -6.940 11.938 1.663 247 3HG2 ILE 31 HG23 ILE 31 -5.212 11.897 1.971 248 1HD1 ILE 31 HD11 ILE 31 -3.367 11.066 1.464 249 2HD1 ILE 31 HD12 ILE 31 -3.095 11.922 -0.060 250 3HD1 ILE 31 HD13 ILE 31 -2.395 10.315 0.194 251 HA PRO 32 HA PRO 32 -10.977 11.866 0.027 252 1HB PRO 32 HB2 PRO 32 -10.582 11.713 2.957 253 2HB PRO 32 HB1 PRO 32 -11.976 11.198 1.978 254 1HG PRO 32 HG2 PRO 32 -10.264 9.395 3.045 255 2HG PRO 32 HG1 PRO 32 -10.998 9.133 1.453 256 1HD PRO 32 HD2 PRO 32 -8.237 9.997 2.175 257 2HD PRO 32 HD1 PRO 32 -8.807 8.965 0.845 258 H GLN 33 HN GLN 33 -11.467 13.979 0.200 259 HA GLN 33 HA GLN 33 -9.415 15.862 0.490 260 1HB GLN 33 HB2 GLN 33 -11.267 17.541 0.401 261 2HB GLN 33 HB1 GLN 33 -11.262 16.390 -0.919 262 1HG GLN 33 HG2 GLN 33 -13.003 15.085 0.308 263 2HG GLN 33 HG1 GLN 33 -13.064 16.383 1.490 264 1HE2 GLN 33 HE21 GLN 33 -15.103 15.323 -0.283 265 2HE2 GLN 33 HE22 GLN 33 -15.687 16.686 -1.187 266 H GLY 34 HN GLY 34 -8.387 16.064 2.386 267 1HA GLY 34 HA2 GLY 34 -8.767 17.548 4.439 268 2HA GLY 34 HA1 GLY 34 -10.012 16.368 4.831 269 H TRP 35 HN TRP 35 -8.124 14.317 3.532 270 HA TRP 35 HA TRP 35 -6.572 13.822 5.990 271 1HB TRP 35 HB2 TRP 35 -7.272 12.012 3.661 272 2HB TRP 35 HB1 TRP 35 -6.272 11.530 5.027 273 HD1 TRP 35 HD1 TRP 35 -9.911 12.777 4.391 274 HE1 TRP 35 HE1 TRP 35 -11.438 11.622 6.129 275 HE3 TRP 35 HE3 TRP 35 -6.334 10.266 7.063 276 HZ2 TRP 35 HZ2 TRP 35 -11.137 9.878 8.338 277 HZ3 TRP 35 HZ3 TRP 35 -7.053 8.894 8.962 278 HH2 TRP 35 HH2 TRP 35 -9.390 8.700 9.603 279 H ARG 36 HN ARG 36 -4.337 12.960 5.657 280 HA ARG 36 HA ARG 36 -3.066 14.038 3.243 281 1HB ARG 36 HB2 ARG 36 -2.112 14.491 6.077 282 2HB ARG 36 HB1 ARG 36 -1.188 14.887 4.623 283 1HG ARG 36 HG2 ARG 36 -3.090 16.355 3.930 284 2HG ARG 36 HG1 ARG 36 -3.785 16.078 5.528 285 1HD ARG 36 HD2 ARG 36 -1.782 17.020 6.573 286 2HD ARG 36 HD1 ARG 36 -1.055 17.254 4.992 287 HE ARG 36 HE ARG 36 -3.587 18.584 5.585 288 1HH1 ARG 36 HH11 ARG 36 -0.133 18.782 5.055 289 2HH1 ARG 36 HH12 ARG 36 -0.145 20.502 4.815 290 1HH2 ARG 36 HH21 ARG 36 -3.614 20.849 5.228 291 2HH2 ARG 36 HH22 ARG 36 -2.116 21.676 4.877 292 H ALA 37 HN ALA 37 -1.107 13.036 2.653 293 HA ALA 37 HA ALA 37 -1.000 10.271 3.305 294 1HB ALA 37 HB1 ALA 37 -0.505 11.061 1.069 295 2HB ALA 37 HB2 ALA 37 0.850 10.157 1.746 296 3HB ALA 37 HB3 ALA 37 0.899 11.924 1.674 297 H ALA 38 HN ALA 38 0.260 9.257 4.793 298 HA ALA 38 HA ALA 38 1.715 10.886 6.662 299 1HB ALA 38 HB1 ALA 38 2.018 8.840 7.923 300 2HB ALA 38 HB2 ALA 38 1.429 7.879 6.570 301 3HB ALA 38 HB3 ALA 38 0.340 8.992 7.397 302 H GLY 39 HN GLY 39 2.496 9.044 3.842 303 1HA GLY 39 HA2 GLY 39 4.750 9.821 2.997 304 2HA GLY 39 HA1 GLY 39 5.352 9.226 4.533 305 H LYS 40 HN LYS 40 5.023 6.888 4.973 306 HA LYS 40 HA LYS 40 6.190 5.408 2.898 307 1HB LYS 40 HB2 LYS 40 6.480 4.828 5.248 308 2HB LYS 40 HB1 LYS 40 4.787 4.380 5.378 309 1HG LYS 40 HG2 LYS 40 5.076 2.499 3.984 310 2HG LYS 40 HG1 LYS 40 6.645 3.051 3.424 311 1HD LYS 40 HD2 LYS 40 7.559 2.690 5.661 312 2HD LYS 40 HD1 LYS 40 5.967 2.158 6.221 313 1HE LYS 40 HE2 LYS 40 6.046 0.240 4.826 314 2HE LYS 40 HE1 LYS 40 7.452 0.858 3.968 315 1HZ LYS 40 HZ1 LYS 40 7.346 -0.086 6.770 316 2HZ LYS 40 HZ2 LYS 40 8.688 0.685 6.092 317 3HZ LYS 40 HZ3 LYS 40 8.174 -0.812 5.474 318 H SER 41 HN SER 41 5.327 4.871 1.087 319 HA SER 41 HA SER 41 2.609 3.744 1.050 320 1HB SER 41 HB2 SER 41 3.903 5.244 -1.240 321 2HB SER 41 HB1 SER 41 2.224 4.714 -1.127 322 HG SER 41 HG SER 41 3.481 6.627 0.579 323 H GLY 42 HN GLY 42 2.417 1.753 0.109 324 1HA GLY 42 HA2 GLY 42 4.199 0.682 -1.792 325 2HA GLY 42 HA1 GLY 42 4.648 0.111 -0.192 326 H LEU 43 HN LEU 43 4.049 -2.010 -0.356 327 HA LEU 43 HA LEU 43 1.472 -2.728 -1.414 328 1HB LEU 43 HB2 LEU 43 3.676 -4.290 -0.098 329 2HB LEU 43 HB1 LEU 43 2.105 -5.009 -0.368 330 HG LEU 43 HG LEU 43 3.616 -5.660 -2.151 331 1HD1 LEU 43 HD11 LEU 43 1.604 -3.654 -3.118 332 2HD1 LEU 43 HD12 LEU 43 1.280 -5.351 -2.737 333 3HD1 LEU 43 HD13 LEU 43 2.324 -4.933 -4.088 334 1HD2 LEU 43 HD21 LEU 43 3.947 -2.722 -2.701 335 2HD2 LEU 43 HD22 LEU 43 4.580 -4.051 -3.686 336 3HD2 LEU 43 HD23 LEU 43 5.169 -3.819 -2.037 337 H LYS 44 HN LYS 44 0.183 -4.379 0.052 338 HA LYS 44 HA LYS 44 -1.033 -2.938 2.092 339 1HB LYS 44 HB2 LYS 44 -2.133 -4.765 0.949 340 2HB LYS 44 HB1 LYS 44 -0.957 -5.905 1.575 341 1HG LYS 44 HG2 LYS 44 -2.896 -6.204 2.879 342 2HG LYS 44 HG1 LYS 44 -1.790 -5.275 3.899 343 1HD LYS 44 HD2 LYS 44 -2.989 -3.208 3.285 344 2HD LYS 44 HD1 LYS 44 -4.086 -4.157 2.253 345 1HE LYS 44 HE2 LYS 44 -3.765 -4.391 5.251 346 2HE LYS 44 HE1 LYS 44 -5.141 -3.723 4.388 347 1HZ LYS 44 HZ1 LYS 44 -5.548 -5.964 5.170 348 2HZ LYS 44 HZ2 LYS 44 -4.240 -6.548 4.269 349 3HZ LYS 44 HZ3 LYS 44 -5.601 -5.898 3.472 350 H LYS 45 HN LYS 45 1.365 -5.543 2.234 351 HA LYS 45 HA LYS 45 1.545 -5.768 4.996 352 1HB LYS 45 HB2 LYS 45 3.801 -6.813 4.498 353 2HB LYS 45 HB1 LYS 45 2.400 -7.555 3.731 354 1HG LYS 45 HG2 LYS 45 3.879 -7.520 1.996 355 2HG LYS 45 HG1 LYS 45 3.040 -5.993 1.755 356 1HD LYS 45 HD2 LYS 45 4.861 -4.823 2.873 357 2HD LYS 45 HD1 LYS 45 5.690 -6.358 3.132 358 1HE LYS 45 HE2 LYS 45 5.065 -5.027 0.486 359 2HE LYS 45 HE1 LYS 45 6.651 -5.203 1.236 360 1HZ LYS 45 HZ1 LYS 45 6.325 -7.672 1.074 361 2HZ LYS 45 HZ2 LYS 45 6.443 -6.870 -0.420 362 3HZ LYS 45 HZ3 LYS 45 4.927 -7.359 0.164 363 H ASP 46 HN ASP 46 3.069 -3.508 2.830 364 HA ASP 46 HA ASP 46 5.064 -2.572 4.595 365 1HB ASP 46 HB2 ASP 46 3.802 -1.296 2.176 366 2HB ASP 46 HB1 ASP 46 5.072 -0.533 3.109 367 H CYS 47 HN CYS 47 1.768 -1.564 3.878 368 HA CYS 47 HA CYS 47 1.763 0.749 5.470 369 1HB CYS 47 HB2 CYS 47 0.136 0.366 3.663 370 2HB CYS 47 HB1 CYS 47 -0.549 -0.983 4.580 371 HG CYS 47 HG CYS 47 -0.735 1.268 6.721 372 H LEU 48 HN LEU 48 0.724 -2.570 5.998 373 HA LEU 48 HA LEU 48 -0.323 -2.328 8.551 374 1HB LEU 48 HB2 LEU 48 1.157 -4.662 7.359 375 2HB LEU 48 HB1 LEU 48 0.096 -4.734 8.759 376 HG LEU 48 HG LEU 48 -0.716 -4.110 5.921 377 1HD1 LEU 48 HD11 LEU 48 -0.217 -6.444 6.353 378 2HD1 LEU 48 HD12 LEU 48 -1.961 -6.184 6.087 379 3HD1 LEU 48 HD13 LEU 48 -1.333 -6.431 7.723 380 1HD2 LEU 48 HD21 LEU 48 -3.036 -4.140 6.848 381 2HD2 LEU 48 HD22 LEU 48 -2.086 -2.781 7.422 382 3HD2 LEU 48 HD23 LEU 48 -2.350 -4.170 8.473 383 H ALA 49 HN ALA 49 2.939 -3.070 7.512 384 HA ALA 49 HA ALA 49 4.146 -3.434 9.975 385 1HB ALA 49 HB1 ALA 49 6.245 -2.912 8.846 386 2HB ALA 49 HB2 ALA 49 5.351 -2.248 7.470 387 3HB ALA 49 HB3 ALA 49 5.233 -3.968 7.864 388 H TYR 50 HN TYR 50 3.776 -0.469 8.075 389 HA TYR 50 HA TYR 50 5.132 1.271 9.749 390 1HB TYR 50 HB2 TYR 50 4.338 1.773 7.437 391 2HB TYR 50 HB1 TYR 50 2.715 1.982 8.092 392 HD1 TYR 50 HD1 TYR 50 2.065 4.060 9.013 393 HD2 TYR 50 HD2 TYR 50 6.186 3.289 8.276 394 HE1 TYR 50 HE1 TYR 50 2.574 6.407 9.502 395 HE2 TYR 50 HE2 TYR 50 6.715 5.634 8.775 396 HH TYR 50 HH TYR 50 4.390 7.780 10.161 397 H ILE 51 HN ILE 51 1.725 0.288 9.879 398 HA ILE 51 HA ILE 51 0.986 2.241 11.812 399 HB ILE 51 HB ILE 51 -0.466 -0.357 11.315 400 1HG1 ILE 51 HG12 ILE 51 -0.147 0.550 9.123 401 2HG1 ILE 51 HG11 ILE 51 -1.796 0.913 9.605 402 1HG2 ILE 51 HG21 ILE 51 -1.397 2.378 12.203 403 2HG2 ILE 51 HG22 ILE 51 -1.249 0.944 13.209 404 3HG2 ILE 51 HG23 ILE 51 -2.446 0.986 11.913 405 1HD1 ILE 51 HD11 ILE 51 -1.145 3.217 10.107 406 2HD1 ILE 51 HD12 ILE 51 -0.718 2.777 8.451 407 3HD1 ILE 51 HD13 ILE 51 0.526 2.825 9.693 408 H GLU 52 HN GLU 52 2.005 -1.089 11.926 409 HA GLU 52 HA GLU 52 1.493 -1.656 14.591 410 1HB GLU 52 HB2 GLU 52 2.189 -3.233 12.780 411 2HB GLU 52 HB1 GLU 52 3.837 -2.660 12.994 412 1HG GLU 52 HG2 GLU 52 3.832 -3.469 15.289 413 2HG GLU 52 HG1 GLU 52 2.150 -4.001 15.098 414 H GLU 53 HN GLU 53 4.283 -0.140 13.124 415 HA GLU 53 HA GLU 53 6.132 -0.187 15.099 416 1HB GLU 53 HB2 GLU 53 5.637 2.190 13.327 417 2HB GLU 53 HB1 GLU 53 7.117 1.880 14.223 418 1HG GLU 53 HG2 GLU 53 5.939 0.116 12.098 419 2HG GLU 53 HG1 GLU 53 7.284 1.234 11.869 420 H VAL 54 HN VAL 54 4.099 3.007 16.650 421 HA VAL 54 HA VAL 54 3.656 2.160 13.889 422 HB VAL 54 HB VAL 54 1.609 2.697 15.027 423 1HG1 VAL 54 HG11 VAL 54 1.194 4.860 16.119 424 2HG1 VAL 54 HG12 VAL 54 2.864 5.360 15.778 425 3HG1 VAL 54 HG13 VAL 54 2.536 3.997 16.859 426 1HG2 VAL 54 HG21 VAL 54 2.320 5.086 13.324 427 2HG2 VAL 54 HG22 VAL 54 0.705 4.515 13.699 428 3HG2 VAL 54 HG23 VAL 54 1.769 3.534 12.711 429 H TRP 55 HN TRP 55 4.872 4.876 15.778 430 HA TRP 55 HA TRP 55 6.488 5.744 13.538 431 1HB TRP 55 HB2 TRP 55 4.344 7.048 13.408 432 2HB TRP 55 HB1 TRP 55 4.638 7.589 15.081 433 HD1 TRP 55 HD1 TRP 55 6.340 7.894 11.595 434 HE1 TRP 55 HE1 TRP 55 7.559 10.162 11.511 435 HE3 TRP 55 HE3 TRP 55 5.423 9.485 16.368 436 HZ2 TRP 55 HZ2 TRP 55 8.052 12.341 13.248 437 HZ3 TRP 55 HZ3 TRP 55 6.298 11.667 17.087 438 HH2 TRP 55 HH2 TRP 55 7.580 13.064 15.554 439 H THR 56 HN THR 56 6.699 4.426 16.217 440 HA THR 56 HA THR 56 7.344 6.168 18.275 441 HB THR 56 HB THR 56 6.944 3.854 18.723 442 HG1 THR 56 HG1 THR 56 9.508 3.748 19.610 443 1HG2 THR 56 HG21 THR 56 8.575 2.104 18.159 444 2HG2 THR 56 HG22 THR 56 9.548 3.287 17.297 445 3HG2 THR 56 HG23 THR 56 7.940 2.886 16.705 446 H ASP 57 HN ASP 57 8.742 7.645 18.446 447 HA ASP 57 HA ASP 57 10.845 8.071 16.596 448 1HB ASP 57 HB2 ASP 57 11.289 10.131 17.807 449 2HB ASP 57 HB1 ASP 57 9.549 9.895 17.653 450 H MET 58 HN MET 58 10.850 6.843 19.910 451 HA MET 58 HA MET 58 13.751 6.503 19.635 452 1HB MET 58 HB2 MET 58 12.222 7.474 22.041 453 2HB MET 58 HB1 MET 58 13.865 6.850 22.151 454 1HG MET 58 HG2 MET 58 14.627 8.606 20.633 455 2HG MET 58 HG1 MET 58 12.989 9.245 20.549 456 1HE MET 58 HE1 MET 58 16.040 8.471 22.915 457 2HE MET 58 HE2 MET 58 14.698 7.694 23.748 458 3HE MET 58 HE3 MET 58 15.456 9.118 24.451 459 H ARG 59 HN ARG 59 10.927 5.442 21.491 460 HA ARG 59 HA ARG 59 12.156 3.113 22.516 461 1HB ARG 59 HB2 ARG 59 9.218 3.658 22.064 462 2HB ARG 59 HB1 ARG 59 9.891 2.407 23.096 463 1HG ARG 59 HG2 ARG 59 10.131 5.377 23.530 464 2HG ARG 59 HG1 ARG 59 9.107 4.245 24.432 465 1HD ARG 59 HD2 ARG 59 11.169 3.028 25.102 466 2HD ARG 59 HD1 ARG 59 12.118 4.330 24.361 467 HE ARG 59 HE ARG 59 10.163 5.120 26.375 468 1HH1 ARG 59 HH11 ARG 59 13.489 4.403 25.594 469 2HH1 ARG 59 HH12 ARG 59 14.126 5.199 27.011 470 1HH2 ARG 59 HH21 ARG 59 10.952 6.123 28.214 471 2HH2 ARG 59 HH22 ARG 59 12.663 6.174 28.523 472 HA PRO 60 HA PRO 60 11.416 0.277 19.048 473 1HB PRO 60 HB2 PRO 60 11.499 -1.949 20.878 474 2HB PRO 60 HB1 PRO 60 12.748 -1.441 19.739 475 1HG PRO 60 HG2 PRO 60 13.005 -1.323 22.467 476 2HG PRO 60 HG1 PRO 60 13.909 -0.304 21.335 477 1HD PRO 60 HD2 PRO 60 11.488 0.343 22.967 478 2HD PRO 60 HD1 PRO 60 12.894 1.370 22.586 479 H LEU 61 HN LEU 61 10.062 -2.092 19.282 480 HA LEU 61 HA LEU 61 7.357 -1.248 19.625 481 1HB LEU 61 HB2 LEU 61 8.744 -3.728 18.822 482 2HB LEU 61 HB1 LEU 61 7.137 -3.932 19.517 483 HG LEU 61 HG LEU 61 7.189 -3.798 17.022 484 1HD1 LEU 61 HD11 LEU 61 5.338 -2.215 16.823 485 2HD1 LEU 61 HD12 LEU 61 5.717 -1.605 18.430 486 3HD1 LEU 61 HD13 LEU 61 5.172 -3.274 18.227 487 1HD2 LEU 61 HD21 LEU 61 7.564 -1.672 15.936 488 2HD2 LEU 61 HD22 LEU 61 9.018 -2.179 16.814 489 3HD2 LEU 61 HD23 LEU 61 7.978 -0.926 17.486 490 H SER 62 HN SER 62 9.619 -1.923 21.863 491 HA SER 62 HA SER 62 8.254 -3.411 23.823 492 1HB SER 62 HB2 SER 62 10.332 -1.244 24.232 493 2HB SER 62 HB1 SER 62 9.907 -2.546 25.355 494 HG SER 62 HG SER 62 11.266 -3.769 24.336 495 H LEU 63 HN LEU 63 7.564 -0.338 22.569 496 HA LEU 63 HA LEU 63 6.544 0.927 24.886 497 1HB LEU 63 HB2 LEU 63 5.713 2.583 23.485 498 2HB LEU 63 HB1 LEU 63 7.052 1.936 22.546 499 HG LEU 63 HG LEU 63 4.186 1.129 22.093 500 1HD1 LEU 63 HD11 LEU 63 4.186 2.672 20.197 501 2HD1 LEU 63 HD12 LEU 63 5.816 3.208 20.616 502 3HD1 LEU 63 HD13 LEU 63 4.467 3.536 21.714 503 1HD2 LEU 63 HD21 LEU 63 5.014 0.321 19.968 504 2HD2 LEU 63 HD22 LEU 63 5.890 -0.439 21.294 505 3HD2 LEU 63 HD23 LEU 63 6.646 0.873 20.377 506 H ARG 64 HN ARG 64 5.547 -1.770 23.167 507 HA ARG 64 HA ARG 64 2.749 -1.658 23.486 508 1HB ARG 64 HB2 ARG 64 4.000 -3.200 21.980 509 2HB ARG 64 HB1 ARG 64 4.561 -4.076 23.398 510 1HG ARG 64 HG2 ARG 64 2.749 -5.314 22.494 511 2HG ARG 64 HG1 ARG 64 2.166 -4.534 23.975 512 1HD ARG 64 HD2 ARG 64 1.769 -3.367 21.237 513 2HD ARG 64 HD1 ARG 64 0.639 -4.480 21.969 514 HE ARG 64 HE ARG 64 1.313 -1.894 23.196 515 1HH1 ARG 64 HH11 ARG 64 -1.035 -4.272 22.147 516 2HH1 ARG 64 HH12 ARG 64 -2.385 -3.379 22.793 517 1HH2 ARG 64 HH21 ARG 64 -0.419 -0.761 24.062 518 2HH2 ARG 64 HH22 ARG 64 -2.040 -1.376 23.909 519 H GLN 65 HN GLN 65 5.393 -2.366 25.602 520 HA GLN 65 HA GLN 65 5.566 -2.669 27.824 521 1HB GLN 65 HB2 GLN 65 2.615 -1.988 27.875 522 2HB GLN 65 HB1 GLN 65 3.667 -2.060 29.286 523 1HG GLN 65 HG2 GLN 65 4.104 -0.203 26.952 524 2HG GLN 65 HG1 GLN 65 3.236 0.226 28.425 525 1HE2 GLN 65 HE21 GLN 65 6.366 -0.517 27.045 526 2HE2 GLN 65 HE22 GLN 65 7.308 0.049 28.398 527 H HIS 66 HN HIS 66 6.029 -4.785 28.123 528 HA HIS 66 HA HIS 66 3.955 -6.798 27.766 529 1HB HIS 66 HB2 HIS 66 6.923 -7.068 28.225 530 2HB HIS 66 HB1 HIS 66 5.826 -8.427 28.035 531 HD1 HIS 66 HD1 HIS 66 7.999 -6.264 26.133 532 HD2 HIS 66 HD2 HIS 66 4.473 -8.333 25.417 533 HE1 HIS 66 HE1 HIS 66 7.824 -6.443 23.637 534 HE2 HIS 66 HE2 HIS 66 5.781 -7.858 23.230 535 H MET 67 HN MET 67 6.570 -6.403 30.152 536 HA MET 67 HA MET 67 4.795 -7.545 32.178 537 1HB MET 67 HB2 MET 67 6.901 -7.811 33.531 538 2HB MET 67 HB1 MET 67 6.883 -8.699 32.017 539 1HG MET 67 HG2 MET 67 9.023 -7.784 32.185 540 2HG MET 67 HG1 MET 67 8.187 -6.779 31.006 541 1HE MET 67 HE1 MET 67 10.481 -4.155 32.691 542 2HE MET 67 HE2 MET 67 9.861 -4.780 31.156 543 3HE MET 67 HE3 MET 67 10.839 -5.812 32.195 544 H ASP 68 HN ASP 68 5.420 -4.615 31.093 545 HA ASP 68 HA ASP 68 5.818 -3.195 33.575 546 1HB ASP 68 HB2 ASP 68 5.155 -2.211 30.784 547 2HB ASP 68 HB1 ASP 68 5.488 -1.165 32.166 548 H LYS 69 HN LYS 69 4.194 -1.167 33.728 549 HA LYS 69 HA LYS 69 1.447 -2.255 33.585 550 1HB LYS 69 HB2 LYS 69 2.317 -1.994 35.903 551 2HB LYS 69 HB1 LYS 69 2.552 -0.279 35.597 552 1HG LYS 69 HG2 LYS 69 0.511 -0.635 36.837 553 2HG LYS 69 HG1 LYS 69 0.138 -0.022 35.222 554 1HD LYS 69 HD2 LYS 69 -0.300 -2.363 34.488 555 2HD LYS 69 HD1 LYS 69 -0.074 -2.879 36.153 556 1HE LYS 69 HE2 LYS 69 -1.903 -1.465 36.887 557 2HE LYS 69 HE1 LYS 69 -2.140 -0.888 35.228 558 1HZ LYS 69 HZ1 LYS 69 -3.729 -2.596 35.644 559 2HZ LYS 69 HZ2 LYS 69 -2.557 -3.649 36.256 560 3HZ LYS 69 HZ3 LYS 69 -2.564 -3.261 34.613 561 H ALA 70 HN ALA 70 0.508 -1.318 31.881 562 HA ALA 70 HA ALA 70 0.193 1.530 31.819 563 1HB ALA 70 HB1 ALA 70 2.352 1.337 30.694 564 2HB ALA 70 HB2 ALA 70 1.100 1.895 29.591 565 3HB ALA 70 HB3 ALA 70 1.641 0.220 29.529 566 H ALA 71 HN ALA 71 -1.637 2.126 30.803 567 HA ALA 71 HA ALA 71 -3.721 1.894 29.904 568 1HB ALA 71 HB1 ALA 71 -2.495 1.509 27.846 569 2HB ALA 71 HB2 ALA 71 -3.956 0.508 27.879 570 3HB ALA 71 HB3 ALA 71 -2.381 -0.219 28.225 571 H GLY 72 HN GLY 72 -3.079 0.342 32.288 572 1HA GLY 72 HA2 GLY 72 -5.177 -1.697 32.016 573 2HA GLY 72 HA1 GLY 72 -3.652 -2.100 32.793 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -12.043 -21.555 -8.741 2 2H MET 1 HT2 MET 1 -10.705 -22.593 -8.809 3 3H MET 1 HT3 MET 1 -11.662 -22.368 -10.190 4 HA MET 1 HA MET 1 -9.614 -21.125 -10.398 5 1HB MET 1 HB2 MET 1 -11.643 -20.153 -11.377 6 2HB MET 1 HB1 MET 1 -12.051 -19.380 -9.862 7 1HG MET 1 HG2 MET 1 -9.974 -18.047 -10.011 8 2HG MET 1 HG1 MET 1 -9.657 -18.767 -11.584 9 1HE MET 1 HE1 MET 1 -10.737 -15.030 -12.337 10 2HE MET 1 HE2 MET 1 -9.469 -16.229 -12.584 11 3HE MET 1 HE3 MET 1 -9.820 -15.640 -10.960 12 H THR 2 HN THR 2 -7.942 -20.458 -9.279 13 HA THR 2 HA THR 2 -8.407 -19.219 -6.643 14 HB THR 2 HB THR 2 -5.885 -20.598 -7.597 15 HG1 THR 2 HG1 THR 2 -6.820 -22.415 -7.094 16 1HG2 THR 2 HG21 THR 2 -6.781 -19.802 -4.836 17 2HG2 THR 2 HG22 THR 2 -5.556 -18.954 -5.785 18 3HG2 THR 2 HG23 THR 2 -5.260 -20.607 -5.235 19 H SER 3 HN SER 3 -8.118 -17.088 -6.648 20 HA SER 3 HA SER 3 -5.950 -15.947 -8.301 21 1HB SER 3 HB2 SER 3 -7.257 -13.778 -8.004 22 2HB SER 3 HB1 SER 3 -8.010 -14.991 -9.026 23 HG SER 3 HG SER 3 -9.320 -15.587 -7.246 24 H VAL 4 HN VAL 4 -5.866 -17.204 -5.630 25 HA VAL 4 HA VAL 4 -5.612 -15.033 -3.717 26 HB VAL 4 HB VAL 4 -5.078 -17.966 -3.276 27 1HG1 VAL 4 HG11 VAL 4 -4.146 -16.558 -1.560 28 2HG1 VAL 4 HG12 VAL 4 -5.516 -17.456 -0.915 29 3HG1 VAL 4 HG13 VAL 4 -5.673 -15.747 -1.340 30 1HG2 VAL 4 HG21 VAL 4 -7.642 -16.429 -2.924 31 2HG2 VAL 4 HG22 VAL 4 -7.353 -18.099 -2.415 32 3HG2 VAL 4 HG23 VAL 4 -7.306 -17.670 -4.126 33 H PHE 5 HN PHE 5 -3.556 -17.134 -5.604 34 HA PHE 5 HA PHE 5 -1.161 -16.647 -4.106 35 1HB PHE 5 HB2 PHE 5 -1.393 -18.644 -5.544 36 2HB PHE 5 HB1 PHE 5 -1.502 -17.594 -6.973 37 HD1 PHE 5 HD1 PHE 5 0.392 -17.176 -8.182 38 HD2 PHE 5 HD2 PHE 5 0.762 -18.299 -4.083 39 HE1 PHE 5 HE1 PHE 5 2.821 -17.219 -8.397 40 HE2 PHE 5 HE2 PHE 5 3.206 -18.300 -4.299 41 HZ PHE 5 HZ PHE 5 4.258 -17.795 -6.479 42 H ASP 6 HN ASP 6 -2.748 -15.191 -6.862 43 HA ASP 6 HA ASP 6 -0.759 -13.389 -7.660 44 1HB ASP 6 HB2 ASP 6 -2.728 -13.746 -8.999 45 2HB ASP 6 HB1 ASP 6 -3.777 -13.191 -7.699 46 H ARG 7 HN ARG 7 0.181 -11.794 -6.552 47 HA ARG 7 HA ARG 7 -0.802 -10.986 -3.993 48 1HB ARG 7 HB2 ARG 7 1.141 -9.640 -3.803 49 2HB ARG 7 HB1 ARG 7 1.651 -11.126 -4.598 50 1HG ARG 7 HG2 ARG 7 1.620 -9.974 -6.767 51 2HG ARG 7 HG1 ARG 7 1.082 -8.490 -5.962 52 1HD ARG 7 HD2 ARG 7 3.193 -8.695 -4.525 53 2HD ARG 7 HD1 ARG 7 3.731 -9.908 -5.698 54 HE ARG 7 HE ARG 7 2.948 -7.635 -7.128 55 1HH1 ARG 7 HH11 ARG 7 5.435 -8.576 -4.844 56 2HH1 ARG 7 HH12 ARG 7 6.553 -7.353 -5.357 57 1HH2 ARG 7 HH21 ARG 7 4.382 -6.023 -7.796 58 2HH2 ARG 7 HH22 ARG 7 5.946 -5.886 -7.045 59 H ASP 8 HN ASP 8 -1.495 -10.046 -7.107 60 HA ASP 8 HA ASP 8 -3.061 -8.598 -7.915 61 1HB ASP 8 HB2 ASP 8 -4.163 -8.886 -5.661 62 2HB ASP 8 HB1 ASP 8 -3.332 -7.421 -5.146 63 H ASP 9 HN ASP 9 -0.516 -7.374 -5.876 64 HA ASP 9 HA ASP 9 0.812 -5.561 -5.957 65 1HB ASP 9 HB2 ASP 9 -0.036 -5.840 -8.780 66 2HB ASP 9 HB1 ASP 9 0.492 -4.219 -8.313 67 H ILE 10 HN ILE 10 -1.760 -5.434 -4.890 68 HA ILE 10 HA ILE 10 -2.715 -2.757 -5.483 69 HB ILE 10 HB ILE 10 -4.430 -4.310 -4.908 70 1HG1 ILE 10 HG12 ILE 10 -5.473 -3.260 -2.925 71 2HG1 ILE 10 HG11 ILE 10 -3.931 -2.501 -2.541 72 1HG2 ILE 10 HG21 ILE 10 -3.118 -5.975 -3.736 73 2HG2 ILE 10 HG22 ILE 10 -4.521 -5.528 -2.777 74 3HG2 ILE 10 HG23 ILE 10 -2.930 -4.887 -2.358 75 1HD1 ILE 10 HD11 ILE 10 -4.047 -1.212 -4.618 76 2HD1 ILE 10 HD12 ILE 10 -5.504 -0.972 -3.654 77 3HD1 ILE 10 HD13 ILE 10 -5.549 -2.046 -5.052 78 H GLN 11 HN GLN 11 -1.326 -1.200 -4.845 79 HA GLN 11 HA GLN 11 0.025 -1.436 -2.274 80 1HB GLN 11 HB2 GLN 11 0.375 0.475 -4.556 81 2HB GLN 11 HB1 GLN 11 1.120 0.730 -2.989 82 1HG GLN 11 HG2 GLN 11 2.813 -0.253 -4.181 83 2HG GLN 11 HG1 GLN 11 2.103 -1.627 -3.339 84 1HE2 GLN 11 HE21 GLN 11 2.946 -3.068 -4.898 85 2HE2 GLN 11 HE22 GLN 11 2.236 -3.189 -6.483 86 H PHE 12 HN PHE 12 -0.123 0.198 -0.735 87 HA PHE 12 HA PHE 12 -2.476 1.952 -0.976 88 1HB PHE 12 HB2 PHE 12 -1.535 0.437 1.473 89 2HB PHE 12 HB1 PHE 12 -2.812 1.651 1.479 90 HD1 PHE 12 HD1 PHE 12 -4.953 1.174 0.316 91 HD2 PHE 12 HD2 PHE 12 -1.938 -1.780 0.785 92 HE1 PHE 12 HE1 PHE 12 -6.617 -0.579 -0.134 93 HE2 PHE 12 HE2 PHE 12 -3.583 -3.553 0.293 94 HZ PHE 12 HZ PHE 12 -5.942 -2.936 -0.154 95 H GLN 13 HN GLN 13 -2.288 3.647 0.849 96 HA GLN 13 HA GLN 13 0.487 4.343 1.434 97 1HB GLN 13 HB2 GLN 13 0.025 6.721 0.872 98 2HB GLN 13 HB1 GLN 13 -0.016 5.654 -0.527 99 1HG GLN 13 HG2 GLN 13 -2.544 5.585 -0.205 100 2HG GLN 13 HG1 GLN 13 -2.320 6.936 0.908 101 1HE2 GLN 13 HE21 GLN 13 -3.744 6.756 -1.656 102 2HE2 GLN 13 HE22 GLN 13 -3.031 7.970 -2.680 103 H VAL 14 HN VAL 14 0.709 5.440 3.423 104 HA VAL 14 HA VAL 14 -1.592 5.056 5.133 105 HB VAL 14 HB VAL 14 1.212 5.928 5.854 106 1HG1 VAL 14 HG11 VAL 14 -1.056 5.021 7.609 107 2HG1 VAL 14 HG12 VAL 14 -0.435 6.676 7.467 108 3HG1 VAL 14 HG13 VAL 14 0.585 5.395 8.145 109 1HG2 VAL 14 HG21 VAL 14 1.505 3.651 6.702 110 2HG2 VAL 14 HG22 VAL 14 1.219 3.703 4.960 111 3HG2 VAL 14 HG23 VAL 14 -0.090 3.232 6.051 112 H VAL 15 HN VAL 15 -2.897 6.695 5.698 113 HA VAL 15 HA VAL 15 -1.944 9.402 5.132 114 HB VAL 15 HB VAL 15 -4.332 9.976 4.735 115 1HG1 VAL 15 HG11 VAL 15 -2.829 9.544 2.864 116 2HG1 VAL 15 HG12 VAL 15 -4.453 8.967 2.485 117 3HG1 VAL 15 HG13 VAL 15 -3.186 7.819 2.945 118 1HG2 VAL 15 HG21 VAL 15 -4.747 6.983 4.766 119 2HG2 VAL 15 HG22 VAL 15 -5.946 8.181 4.293 120 3HG2 VAL 15 HG23 VAL 15 -5.371 8.113 5.954 121 H VAL 16 HN VAL 16 -2.744 11.030 6.531 122 HA VAL 16 HA VAL 16 -3.676 9.995 9.121 123 HB VAL 16 HB VAL 16 -1.310 10.635 9.287 124 1HG1 VAL 16 HG11 VAL 16 -2.241 13.405 8.522 125 2HG1 VAL 16 HG12 VAL 16 -1.199 12.347 7.555 126 3HG1 VAL 16 HG13 VAL 16 -0.618 12.992 9.099 127 1HG2 VAL 16 HG21 VAL 16 -3.166 12.503 10.763 128 2HG2 VAL 16 HG22 VAL 16 -1.485 12.156 11.197 129 3HG2 VAL 16 HG23 VAL 16 -2.692 10.877 11.250 130 H ASN 17 HN ASN 17 -5.299 11.037 10.055 131 HA ASN 17 HA ASN 17 -6.784 13.020 8.589 132 1HB ASN 17 HB2 ASN 17 -7.932 11.244 9.871 133 2HB ASN 17 HB1 ASN 17 -7.215 11.853 11.359 134 1HD2 ASN 17 HD21 ASN 17 -9.174 12.269 12.328 135 2HD2 ASN 17 HD22 ASN 17 -10.220 13.562 11.818 136 H HIS 18 HN HIS 18 -7.325 15.114 9.484 137 HA HIS 18 HA HIS 18 -5.105 16.530 10.509 138 1HB HIS 18 HB2 HIS 18 -6.862 17.545 9.105 139 2HB HIS 18 HB1 HIS 18 -8.002 17.377 10.425 140 HD1 HIS 18 HD1 HIS 18 -4.882 19.292 9.448 141 HD2 HIS 18 HD2 HIS 18 -7.952 19.412 12.263 142 HE1 HIS 18 HE1 HIS 18 -4.590 21.468 10.675 143 HE2 HIS 18 HE2 HIS 18 -6.342 21.433 12.485 144 H GLU 19 HN GLU 19 -7.234 14.529 12.053 145 HA GLU 19 HA GLU 19 -6.896 15.849 14.678 146 1HB GLU 19 HB2 GLU 19 -8.762 13.630 13.859 147 2HB GLU 19 HB1 GLU 19 -8.714 14.397 15.442 148 1HG GLU 19 HG2 GLU 19 -9.479 16.459 14.569 149 2HG GLU 19 HG1 GLU 19 -9.255 15.899 12.906 150 H GLU 20 HN GLU 20 -5.085 14.032 12.949 151 HA GLU 20 HA GLU 20 -3.350 12.671 13.336 152 1HB GLU 20 HB2 GLU 20 -3.152 13.983 15.452 153 2HB GLU 20 HB1 GLU 20 -4.100 12.738 16.268 154 1HG GLU 20 HG2 GLU 20 -2.379 11.103 15.826 155 2HG GLU 20 HG1 GLU 20 -1.459 12.253 14.885 156 H GLN 21 HN GLN 21 -5.291 11.418 12.278 157 HA GLN 21 HA GLN 21 -5.469 8.845 13.708 158 1HB GLN 21 HB2 GLN 21 -7.673 10.151 13.253 159 2HB GLN 21 HB1 GLN 21 -7.407 9.707 11.561 160 1HG GLN 21 HG2 GLN 21 -8.903 8.121 12.522 161 2HG GLN 21 HG1 GLN 21 -7.346 7.332 12.256 162 1HE2 GLN 21 HE21 GLN 21 -7.994 9.540 14.888 163 2HE2 GLN 21 HE22 GLN 21 -7.897 8.385 16.146 164 H TYR 22 HN TYR 22 -4.478 7.171 12.727 165 HA TYR 22 HA TYR 22 -3.453 7.716 10.019 166 1HB TYR 22 HB2 TYR 22 -2.518 5.885 12.234 167 2HB TYR 22 HB1 TYR 22 -1.893 5.781 10.585 168 HD1 TYR 22 HD1 TYR 22 -0.488 7.578 9.685 169 HD2 TYR 22 HD2 TYR 22 -1.920 7.715 13.684 170 HE1 TYR 22 HE1 TYR 22 1.152 9.350 10.205 171 HE2 TYR 22 HE2 TYR 22 -0.311 9.499 14.212 172 HH TYR 22 HH TYR 22 1.503 11.128 11.788 173 H SER 23 HN SER 23 -3.892 6.428 8.340 174 HA SER 23 HA SER 23 -5.153 3.848 8.689 175 1HB SER 23 HB2 SER 23 -7.075 5.459 8.833 176 2HB SER 23 HB1 SER 23 -6.631 6.075 7.248 177 HG SER 23 HG SER 23 -8.251 4.097 7.685 178 H ILE 24 HN ILE 24 -5.868 3.214 6.179 179 HA ILE 24 HA ILE 24 -3.607 4.078 4.505 180 HB ILE 24 HB ILE 24 -3.525 1.780 3.513 181 1HG1 ILE 24 HG12 ILE 24 -5.035 0.942 5.988 182 2HG1 ILE 24 HG11 ILE 24 -5.802 1.113 4.415 183 1HG2 ILE 24 HG21 ILE 24 -2.862 1.998 6.440 184 2HG2 ILE 24 HG22 ILE 24 -1.866 2.582 5.112 185 3HG2 ILE 24 HG23 ILE 24 -2.154 0.853 5.300 186 1HD1 ILE 24 HD11 ILE 24 -5.247 -1.219 4.846 187 2HD1 ILE 24 HD12 ILE 24 -3.562 -0.779 5.123 188 3HD1 ILE 24 HD13 ILE 24 -4.257 -0.596 3.517 189 H TRP 25 HN TRP 25 -4.019 4.323 2.346 190 HA TRP 25 HA TRP 25 -6.761 3.785 1.419 191 1HB TRP 25 HB2 TRP 25 -6.370 6.205 2.176 192 2HB TRP 25 HB1 TRP 25 -5.252 6.338 0.815 193 HD1 TRP 25 HD1 TRP 25 -6.296 7.138 -1.395 194 HE1 TRP 25 HE1 TRP 25 -8.689 7.415 -2.275 195 HE3 TRP 25 HE3 TRP 25 -8.848 4.948 2.455 196 HZ2 TRP 25 HZ2 TRP 25 -11.291 6.783 -1.484 197 HZ3 TRP 25 HZ3 TRP 25 -11.298 4.836 2.304 198 HH2 TRP 25 HH2 TRP 25 -12.495 5.716 0.371 199 HA PRO 26 HA PRO 26 -4.800 1.783 -2.065 200 1HB PRO 26 HB2 PRO 26 -6.616 2.987 -3.903 201 2HB PRO 26 HB1 PRO 26 -6.679 1.344 -3.259 202 1HG PRO 26 HG2 PRO 26 -8.149 3.772 -2.402 203 2HG PRO 26 HG1 PRO 26 -8.603 2.062 -2.240 204 1HD PRO 26 HD2 PRO 26 -7.829 3.514 -0.133 205 2HD PRO 26 HD1 PRO 26 -7.391 1.799 -0.277 206 H GLU 27 HN GLU 27 -3.027 2.457 -3.081 207 HA GLU 27 HA GLU 27 -2.183 5.102 -2.967 208 1HB GLU 27 HB2 GLU 27 -0.701 3.085 -3.020 209 2HB GLU 27 HB1 GLU 27 -1.083 2.914 -4.734 210 1HG GLU 27 HG2 GLU 27 -0.129 5.194 -5.073 211 2HG GLU 27 HG1 GLU 27 0.393 5.168 -3.384 212 H TYR 28 HN TYR 28 -3.544 3.260 -5.705 213 HA TYR 28 HA TYR 28 -3.122 5.486 -7.481 214 1HB TYR 28 HB2 TYR 28 -4.371 4.052 -9.138 215 2HB TYR 28 HB1 TYR 28 -2.879 3.356 -8.502 216 HD1 TYR 28 HD1 TYR 28 -3.370 1.112 -9.028 217 HD2 TYR 28 HD2 TYR 28 -6.123 3.345 -6.682 218 HE1 TYR 28 HE1 TYR 28 -4.560 -0.953 -8.480 219 HE2 TYR 28 HE2 TYR 28 -7.330 1.271 -6.141 220 HH TYR 28 HH TYR 28 -6.084 -1.878 -7.026 221 H LYS 29 HN LYS 29 -5.238 5.090 -5.090 222 HA LYS 29 HA LYS 29 -7.511 6.259 -6.528 223 1HB LYS 29 HB2 LYS 29 -7.977 4.280 -5.155 224 2HB LYS 29 HB1 LYS 29 -7.333 5.098 -3.733 225 1HG LYS 29 HG2 LYS 29 -9.686 5.172 -3.588 226 2HG LYS 29 HG1 LYS 29 -9.152 6.798 -4.015 227 1HD LYS 29 HD2 LYS 29 -11.026 6.353 -5.370 228 2HD LYS 29 HD1 LYS 29 -9.632 6.148 -6.427 229 1HE LYS 29 HE2 LYS 29 -9.734 3.742 -6.149 230 2HE LYS 29 HE1 LYS 29 -11.064 3.914 -5.010 231 1HZ LYS 29 HZ1 LYS 29 -11.101 4.627 -7.884 232 2HZ LYS 29 HZ2 LYS 29 -12.375 4.911 -6.806 233 3HZ LYS 29 HZ3 LYS 29 -11.905 3.322 -7.161 234 H GLU 30 HN GLU 30 -8.409 8.233 -5.824 235 HA GLU 30 HA GLU 30 -6.486 10.112 -4.810 236 1HB GLU 30 HB2 GLU 30 -8.124 10.699 -6.542 237 2HB GLU 30 HB1 GLU 30 -9.434 10.409 -5.408 238 1HG GLU 30 HG2 GLU 30 -8.563 12.247 -4.011 239 2HG GLU 30 HG1 GLU 30 -7.325 12.541 -5.229 240 H ILE 31 HN ILE 31 -6.269 10.890 -2.789 241 HA ILE 31 HA ILE 31 -7.611 9.682 -0.598 242 HB ILE 31 HB ILE 31 -5.956 12.225 -0.597 243 1HG1 ILE 31 HG12 ILE 31 -5.043 9.384 -0.089 244 2HG1 ILE 31 HG11 ILE 31 -4.725 10.282 -1.566 245 1HG2 ILE 31 HG21 ILE 31 -5.550 11.712 1.747 246 2HG2 ILE 31 HG22 ILE 31 -6.607 10.299 1.624 247 3HG2 ILE 31 HG23 ILE 31 -7.273 11.917 1.420 248 1HD1 ILE 31 HD11 ILE 31 -3.754 10.996 1.183 249 2HD1 ILE 31 HD12 ILE 31 -3.443 11.907 -0.280 250 3HD1 ILE 31 HD13 ILE 31 -2.791 10.281 -0.103 251 HA PRO 32 HA PRO 32 -11.222 12.364 -0.451 252 1HB PRO 32 HB2 PRO 32 -11.493 11.371 2.301 253 2HB PRO 32 HB1 PRO 32 -12.601 11.233 0.931 254 1HG PRO 32 HG2 PRO 32 -11.215 9.105 1.879 255 2HG PRO 32 HG1 PRO 32 -11.588 9.310 0.144 256 1HD PRO 32 HD2 PRO 32 -9.053 9.884 1.649 257 2HD PRO 32 HD1 PRO 32 -9.263 9.094 0.063 258 H GLN 33 HN GLN 33 -11.855 14.273 0.659 259 HA GLN 33 HA GLN 33 -9.748 15.808 1.684 260 1HB GLN 33 HB2 GLN 33 -12.727 16.270 1.695 261 2HB GLN 33 HB1 GLN 33 -11.540 17.464 2.211 262 1HG GLN 33 HG2 GLN 33 -10.524 17.310 -0.068 263 2HG GLN 33 HG1 GLN 33 -11.897 16.306 -0.541 264 1HE2 GLN 33 HE21 GLN 33 -10.871 19.496 0.396 265 2HE2 GLN 33 HE22 GLN 33 -12.304 20.312 -0.095 266 H GLY 34 HN GLY 34 -9.260 16.474 3.727 267 1HA GLY 34 HA2 GLY 34 -9.832 16.667 6.077 268 2HA GLY 34 HA1 GLY 34 -10.727 15.166 5.918 269 H TRP 35 HN TRP 35 -8.522 14.015 4.238 270 HA TRP 35 HA TRP 35 -6.651 13.396 6.430 271 1HB TRP 35 HB2 TRP 35 -7.480 11.700 4.051 272 2HB TRP 35 HB1 TRP 35 -6.317 11.236 5.283 273 HD1 TRP 35 HD1 TRP 35 -10.085 12.170 5.100 274 HE1 TRP 35 HE1 TRP 35 -11.371 10.725 6.809 275 HE3 TRP 35 HE3 TRP 35 -6.133 9.759 7.183 276 HZ2 TRP 35 HZ2 TRP 35 -10.735 8.809 8.812 277 HZ3 TRP 35 HZ3 TRP 35 -6.539 8.138 8.991 278 HH2 TRP 35 HH2 TRP 35 -8.803 7.678 9.785 279 H ARG 36 HN ARG 36 -4.447 12.948 5.728 280 HA ARG 36 HA ARG 36 -3.762 13.842 3.036 281 1HB ARG 36 HB2 ARG 36 -1.845 15.173 3.945 282 2HB ARG 36 HB1 ARG 36 -3.426 15.850 4.301 283 1HG ARG 36 HG2 ARG 36 -3.312 15.034 6.569 284 2HG ARG 36 HG1 ARG 36 -1.784 14.192 6.205 285 1HD ARG 36 HD2 ARG 36 -0.701 16.307 5.770 286 2HD ARG 36 HD1 ARG 36 -2.225 17.171 6.025 287 HE ARG 36 HE ARG 36 -2.037 16.012 8.369 288 1HH1 ARG 36 HH11 ARG 36 0.572 17.431 6.461 289 2HH1 ARG 36 HH12 ARG 36 1.503 17.924 7.851 290 1HH2 ARG 36 HH21 ARG 36 -0.804 16.647 10.188 291 2HH2 ARG 36 HH22 ARG 36 0.720 17.462 9.985 292 H ALA 37 HN ALA 37 -1.574 13.225 2.403 293 HA ALA 37 HA ALA 37 -1.167 10.516 3.213 294 1HB ALA 37 HB1 ALA 37 -1.040 11.169 0.866 295 2HB ALA 37 HB2 ALA 37 0.456 10.422 1.428 296 3HB ALA 37 HB3 ALA 37 0.371 12.179 1.227 297 H ALA 38 HN ALA 38 0.390 9.687 4.452 298 HA ALA 38 HA ALA 38 2.111 11.454 5.939 299 1HB ALA 38 HB1 ALA 38 2.802 9.412 7.096 300 2HB ALA 38 HB2 ALA 38 1.964 8.427 5.899 301 3HB ALA 38 HB3 ALA 38 1.050 9.489 6.980 302 H GLY 39 HN GLY 39 4.150 9.060 5.868 303 1HA GLY 39 HA2 GLY 39 5.516 9.956 3.420 304 2HA GLY 39 HA1 GLY 39 6.340 9.979 4.969 305 H LYS 40 HN LYS 40 4.120 7.487 3.863 306 HA LYS 40 HA LYS 40 6.256 5.709 3.058 307 1HB LYS 40 HB2 LYS 40 5.937 5.680 5.678 308 2HB LYS 40 HB1 LYS 40 4.583 4.635 5.310 309 1HG LYS 40 HG2 LYS 40 7.401 4.122 4.370 310 2HG LYS 40 HG1 LYS 40 6.717 3.477 5.857 311 1HD LYS 40 HD2 LYS 40 5.335 3.037 3.253 312 2HD LYS 40 HD1 LYS 40 6.710 2.037 3.691 313 1HE LYS 40 HE2 LYS 40 4.276 2.430 5.413 314 2HE LYS 40 HE1 LYS 40 4.455 1.093 4.290 315 1HZ LYS 40 HZ1 LYS 40 5.082 0.422 6.502 316 2HZ LYS 40 HZ2 LYS 40 6.233 1.667 6.603 317 3HZ LYS 40 HZ3 LYS 40 6.449 0.395 5.504 318 H SER 41 HN SER 41 5.454 4.922 1.266 319 HA SER 41 HA SER 41 2.608 4.120 1.149 320 1HB SER 41 HB2 SER 41 3.627 5.937 -0.460 321 2HB SER 41 HB1 SER 41 4.342 4.552 -1.278 322 HG SER 41 HG SER 41 2.478 4.148 -2.149 323 H GLY 42 HN GLY 42 2.088 2.087 0.253 324 1HA GLY 42 HA2 GLY 42 3.767 0.220 -0.871 325 2HA GLY 42 HA1 GLY 42 4.030 0.069 0.874 326 H LEU 43 HN LEU 43 3.120 -2.135 -0.150 327 HA LEU 43 HA LEU 43 0.238 -2.106 -0.398 328 1HB LEU 43 HB2 LEU 43 0.317 -4.410 -0.959 329 2HB LEU 43 HB1 LEU 43 1.613 -3.620 -1.816 330 HG LEU 43 HG LEU 43 1.983 -5.266 0.683 331 1HD1 LEU 43 HD11 LEU 43 1.103 -6.634 -1.113 332 2HD1 LEU 43 HD12 LEU 43 2.801 -7.005 -0.832 333 3HD1 LEU 43 HD13 LEU 43 2.332 -6.008 -2.208 334 1HD2 LEU 43 HD21 LEU 43 4.346 -5.330 -0.100 335 2HD2 LEU 43 HD22 LEU 43 3.803 -3.726 0.387 336 3HD2 LEU 43 HD23 LEU 43 3.921 -4.129 -1.335 337 H LYS 44 HN LYS 44 -0.748 -4.240 0.857 338 HA LYS 44 HA LYS 44 -1.282 -3.232 3.362 339 1HB LYS 44 HB2 LYS 44 -2.430 -5.299 3.854 340 2HB LYS 44 HB1 LYS 44 -2.743 -4.845 2.193 341 1HG LYS 44 HG2 LYS 44 -0.995 -6.435 1.494 342 2HG LYS 44 HG1 LYS 44 -0.830 -6.955 3.164 343 1HD LYS 44 HD2 LYS 44 -2.250 -8.499 1.922 344 2HD LYS 44 HD1 LYS 44 -3.196 -7.641 3.154 345 1HE LYS 44 HE2 LYS 44 -4.031 -6.117 1.438 346 2HE LYS 44 HE1 LYS 44 -3.083 -6.973 0.223 347 1HZ LYS 44 HZ1 LYS 44 -5.373 -7.708 0.187 348 2HZ LYS 44 HZ2 LYS 44 -5.307 -8.118 1.832 349 3HZ LYS 44 HZ3 LYS 44 -4.368 -8.975 0.699 350 H LYS 45 HN LYS 45 1.146 -5.628 2.460 351 HA LYS 45 HA LYS 45 1.927 -6.503 4.971 352 1HB LYS 45 HB2 LYS 45 2.736 -7.522 2.944 353 2HB LYS 45 HB1 LYS 45 3.524 -6.038 2.450 354 1HG LYS 45 HG2 LYS 45 5.130 -7.683 3.269 355 2HG LYS 45 HG1 LYS 45 5.105 -6.237 4.277 356 1HD LYS 45 HD2 LYS 45 3.815 -7.352 5.961 357 2HD LYS 45 HD1 LYS 45 3.569 -8.753 4.918 358 1HE LYS 45 HE2 LYS 45 5.296 -9.164 6.620 359 2HE LYS 45 HE1 LYS 45 5.917 -9.270 4.985 360 1HZ LYS 45 HZ1 LYS 45 6.198 -6.943 6.802 361 2HZ LYS 45 HZ2 LYS 45 6.806 -7.017 5.223 362 3HZ LYS 45 HZ3 LYS 45 7.435 -8.033 6.424 363 H ASP 46 HN ASP 46 3.101 -3.795 3.072 364 HA ASP 46 HA ASP 46 4.886 -2.742 4.932 365 1HB ASP 46 HB2 ASP 46 3.343 -1.382 2.740 366 2HB ASP 46 HB1 ASP 46 4.609 -0.587 3.690 367 H CYS 47 HN CYS 47 1.447 -2.446 4.613 368 HA CYS 47 HA CYS 47 1.136 -0.179 6.285 369 1HB CYS 47 HB2 CYS 47 -0.658 -0.441 4.867 370 2HB CYS 47 HB1 CYS 47 -0.692 -2.190 5.092 371 HG CYS 47 HG CYS 47 -1.355 -1.245 8.011 372 H LEU 48 HN LEU 48 0.507 -3.667 6.696 373 HA LEU 48 HA LEU 48 -0.265 -3.699 9.331 374 1HB LEU 48 HB2 LEU 48 1.510 -5.770 8.060 375 2HB LEU 48 HB1 LEU 48 0.383 -6.012 9.385 376 HG LEU 48 HG LEU 48 -0.320 -5.457 6.509 377 1HD1 LEU 48 HD11 LEU 48 -0.828 -7.846 8.284 378 2HD1 LEU 48 HD12 LEU 48 0.326 -7.760 6.960 379 3HD1 LEU 48 HD13 LEU 48 -1.395 -7.646 6.621 380 1HD2 LEU 48 HD21 LEU 48 -2.138 -5.751 8.893 381 2HD2 LEU 48 HD22 LEU 48 -2.638 -5.625 7.206 382 3HD2 LEU 48 HD23 LEU 48 -1.836 -4.272 7.988 383 H ALA 49 HN ALA 49 3.013 -4.104 8.087 384 HA ALA 49 HA ALA 49 4.394 -4.105 10.480 385 1HB ALA 49 HB1 ALA 49 5.317 -2.908 7.880 386 2HB ALA 49 HB2 ALA 49 5.396 -4.619 8.296 387 3HB ALA 49 HB3 ALA 49 6.347 -3.439 9.201 388 H TYR 50 HN TYR 50 3.646 -1.324 8.406 389 HA TYR 50 HA TYR 50 4.912 0.647 9.833 390 1HB TYR 50 HB2 TYR 50 3.900 0.959 7.609 391 2HB TYR 50 HB1 TYR 50 2.294 0.943 8.341 392 HD1 TYR 50 HD1 TYR 50 5.415 2.852 7.902 393 HD2 TYR 50 HD2 TYR 50 1.503 2.884 9.594 394 HE1 TYR 50 HE1 TYR 50 5.593 5.270 8.261 395 HE2 TYR 50 HE2 TYR 50 1.663 5.310 9.933 396 HH TYR 50 HH TYR 50 3.426 7.021 10.190 397 H ILE 51 HN ILE 51 1.514 -0.365 10.266 398 HA ILE 51 HA ILE 51 0.880 1.711 12.055 399 HB ILE 51 HB ILE 51 -0.425 -0.870 11.317 400 1HG1 ILE 51 HG12 ILE 51 -2.331 0.665 10.851 401 2HG1 ILE 51 HG11 ILE 51 -1.347 2.017 11.376 402 1HG2 ILE 51 HG21 ILE 51 -2.232 -0.511 12.948 403 2HG2 ILE 51 HG22 ILE 51 -1.291 0.781 13.682 404 3HG2 ILE 51 HG23 ILE 51 -0.692 -0.870 13.724 405 1HD1 ILE 51 HD11 ILE 51 0.227 1.589 9.554 406 2HD1 ILE 51 HD12 ILE 51 -1.415 1.875 8.968 407 3HD1 ILE 51 HD13 ILE 51 -0.773 0.227 9.041 408 H GLU 52 HN GLU 52 2.166 -1.497 12.628 409 HA GLU 52 HA GLU 52 1.784 -1.497 15.402 410 1HB GLU 52 HB2 GLU 52 3.760 -2.997 13.708 411 2HB GLU 52 HB1 GLU 52 3.563 -3.268 15.442 412 1HG GLU 52 HG2 GLU 52 1.149 -3.742 14.984 413 2HG GLU 52 HG1 GLU 52 1.550 -3.726 13.258 414 H GLU 53 HN GLU 53 4.514 -0.397 13.456 415 HA GLU 53 HA GLU 53 6.468 -0.117 15.335 416 1HB GLU 53 HB2 GLU 53 5.982 1.934 13.210 417 2HB GLU 53 HB1 GLU 53 7.511 1.535 13.968 418 1HG GLU 53 HG2 GLU 53 5.883 -0.239 12.210 419 2HG GLU 53 HG1 GLU 53 7.370 0.585 11.765 420 H VAL 54 HN VAL 54 4.505 3.350 16.276 421 HA VAL 54 HA VAL 54 3.939 1.937 13.756 422 HB VAL 54 HB VAL 54 1.950 2.664 14.824 423 1HG1 VAL 54 HG11 VAL 54 1.533 5.013 15.484 424 2HG1 VAL 54 HG12 VAL 54 3.210 5.384 15.085 425 3HG1 VAL 54 HG13 VAL 54 2.836 4.261 16.397 426 1HG2 VAL 54 HG21 VAL 54 2.533 4.727 12.713 427 2HG2 VAL 54 HG22 VAL 54 0.943 4.185 13.229 428 3HG2 VAL 54 HG23 VAL 54 2.017 3.070 12.400 429 H TRP 55 HN TRP 55 5.005 5.099 14.902 430 HA TRP 55 HA TRP 55 6.648 5.451 12.561 431 1HB TRP 55 HB2 TRP 55 4.458 6.422 11.933 432 2HB TRP 55 HB1 TRP 55 4.541 7.462 13.351 433 HD1 TRP 55 HD1 TRP 55 6.690 6.834 10.171 434 HE1 TRP 55 HE1 TRP 55 7.617 9.111 9.391 435 HE3 TRP 55 HE3 TRP 55 4.783 9.788 13.877 436 HZ2 TRP 55 HZ2 TRP 55 7.535 11.822 10.245 437 HZ3 TRP 55 HZ3 TRP 55 5.271 12.203 13.845 438 HH2 TRP 55 HH2 TRP 55 6.610 13.198 12.053 439 H THR 56 HN THR 56 6.754 4.983 15.486 440 HA THR 56 HA THR 56 7.891 7.550 16.401 441 HB THR 56 HB THR 56 7.175 6.652 18.726 442 HG1 THR 56 HG1 THR 56 5.950 4.924 18.732 443 1HG2 THR 56 HG21 THR 56 4.923 7.616 18.448 444 2HG2 THR 56 HG22 THR 56 5.103 7.551 16.699 445 3HG2 THR 56 HG23 THR 56 6.148 8.603 17.663 446 H ASP 57 HN ASP 57 8.216 4.037 16.438 447 HA ASP 57 HA ASP 57 10.785 4.400 17.821 448 1HB ASP 57 HB2 ASP 57 8.768 2.179 18.053 449 2HB ASP 57 HB1 ASP 57 10.460 1.952 18.510 450 H MET 58 HN MET 58 12.574 3.408 17.051 451 HA MET 58 HA MET 58 12.434 2.089 14.467 452 1HB MET 58 HB2 MET 58 14.312 3.596 14.949 453 2HB MET 58 HB1 MET 58 14.781 2.598 16.323 454 1HG MET 58 HG2 MET 58 16.178 2.266 14.314 455 2HG MET 58 HG1 MET 58 15.397 0.793 14.875 456 1HE MET 58 HE1 MET 58 13.735 3.737 12.880 457 2HE MET 58 HE2 MET 58 13.931 3.191 11.214 458 3HE MET 58 HE3 MET 58 15.345 3.645 12.161 459 H ARG 59 HN ARG 59 12.012 1.290 17.637 460 HA ARG 59 HA ARG 59 12.812 -1.490 17.474 461 1HB ARG 59 HB2 ARG 59 10.998 -0.084 19.469 462 2HB ARG 59 HB1 ARG 59 11.639 -1.718 19.642 463 1HG ARG 59 HG2 ARG 59 13.291 0.816 19.521 464 2HG ARG 59 HG1 ARG 59 12.835 -0.036 20.995 465 1HD ARG 59 HD2 ARG 59 14.484 -1.190 18.749 466 2HD ARG 59 HD1 ARG 59 15.125 -0.589 20.280 467 HE ARG 59 HE ARG 59 13.597 -2.377 21.299 468 1HH1 ARG 59 HH11 ARG 59 15.153 -2.695 18.154 469 2HH1 ARG 59 HH12 ARG 59 15.272 -4.419 18.281 470 1HH2 ARG 59 HH21 ARG 59 13.758 -4.657 21.421 471 2HH2 ARG 59 HH22 ARG 59 14.467 -5.533 20.100 472 HA PRO 60 HA PRO 60 9.051 -1.955 15.028 473 1HB PRO 60 HB2 PRO 60 10.011 -4.689 14.557 474 2HB PRO 60 HB1 PRO 60 9.749 -3.389 13.400 475 1HG PRO 60 HG2 PRO 60 12.207 -4.246 14.041 476 2HG PRO 60 HG1 PRO 60 11.878 -2.536 13.682 477 1HD PRO 60 HD2 PRO 60 12.186 -3.871 16.359 478 2HD PRO 60 HD1 PRO 60 12.853 -2.322 15.782 479 H LEU 61 HN LEU 61 7.126 -2.442 15.832 480 HA LEU 61 HA LEU 61 6.906 -4.490 17.879 481 1HB LEU 61 HB2 LEU 61 5.002 -2.461 16.758 482 2HB LEU 61 HB1 LEU 61 4.409 -3.795 17.708 483 HG LEU 61 HG LEU 61 4.588 -1.862 19.115 484 1HD1 LEU 61 HD11 LEU 61 5.097 -3.969 20.157 485 2HD1 LEU 61 HD12 LEU 61 6.112 -2.697 20.842 486 3HD1 LEU 61 HD13 LEU 61 6.794 -3.844 19.685 487 1HD2 LEU 61 HD21 LEU 61 7.502 -1.750 18.297 488 2HD2 LEU 61 HD22 LEU 61 6.733 -0.746 19.522 489 3HD2 LEU 61 HD23 LEU 61 6.246 -0.602 17.829 490 H SER 62 HN SER 62 6.695 -4.127 14.567 491 HA SER 62 HA SER 62 4.727 -6.141 14.054 492 1HB SER 62 HB2 SER 62 5.579 -5.815 11.665 493 2HB SER 62 HB1 SER 62 4.858 -4.419 12.454 494 HG SER 62 HG SER 62 6.796 -3.484 12.671 495 H LEU 63 HN LEU 63 7.821 -6.434 15.158 496 HA LEU 63 HA LEU 63 8.532 -8.720 13.493 497 1HB LEU 63 HB2 LEU 63 10.596 -8.827 14.777 498 2HB LEU 63 HB1 LEU 63 10.314 -7.215 14.138 499 HG LEU 63 HG LEU 63 9.397 -6.696 16.518 500 1HD1 LEU 63 HD11 LEU 63 11.093 -9.112 17.097 501 2HD1 LEU 63 HD12 LEU 63 9.350 -8.982 17.352 502 3HD1 LEU 63 HD13 LEU 63 10.460 -7.981 18.297 503 1HD2 LEU 63 HD21 LEU 63 11.663 -6.159 17.277 504 2HD2 LEU 63 HD22 LEU 63 11.400 -5.704 15.597 505 3HD2 LEU 63 HD23 LEU 63 12.321 -7.156 15.980 506 H ARG 64 HN ARG 64 6.624 -8.183 16.173 507 HA ARG 64 HA ARG 64 7.321 -10.380 17.840 508 1HB ARG 64 HB2 ARG 64 5.896 -8.370 18.469 509 2HB ARG 64 HB1 ARG 64 4.581 -9.155 17.588 510 1HG ARG 64 HG2 ARG 64 4.518 -10.953 19.120 511 2HG ARG 64 HG1 ARG 64 6.042 -10.475 19.871 512 1HD ARG 64 HD2 ARG 64 4.232 -9.829 21.312 513 2HD ARG 64 HD1 ARG 64 4.972 -8.388 20.615 514 HE ARG 64 HE ARG 64 2.605 -9.468 19.281 515 1HH1 ARG 64 HH11 ARG 64 4.005 -7.022 21.367 516 2HH1 ARG 64 HH12 ARG 64 2.648 -5.950 21.217 517 1HH2 ARG 64 HH21 ARG 64 0.826 -8.054 19.084 518 2HH2 ARG 64 HH22 ARG 64 0.853 -6.525 19.934 519 H GLN 65 HN GLN 65 4.711 -10.003 15.443 520 HA GLN 65 HA GLN 65 5.110 -12.848 14.810 521 1HB GLN 65 HB2 GLN 65 2.664 -12.988 14.270 522 2HB GLN 65 HB1 GLN 65 3.035 -12.817 15.979 523 1HG GLN 65 HG2 GLN 65 2.455 -10.488 15.909 524 2HG GLN 65 HG1 GLN 65 2.166 -10.570 14.177 525 1HE2 GLN 65 HE21 GLN 65 1.243 -13.036 16.469 526 2HE2 GLN 65 HE22 GLN 65 -0.471 -12.832 16.278 527 H HIS 66 HN HIS 66 6.153 -12.769 12.965 528 HA HIS 66 HA HIS 66 6.329 -10.679 11.186 529 1HB HIS 66 HB2 HIS 66 7.733 -12.841 11.358 530 2HB HIS 66 HB1 HIS 66 6.523 -13.541 10.284 531 HD1 HIS 66 HD1 HIS 66 6.415 -12.537 7.833 532 HD2 HIS 66 HD2 HIS 66 9.559 -11.188 10.197 533 HE1 HIS 66 HE1 HIS 66 8.022 -11.444 6.249 534 HE2 HIS 66 HE2 HIS 66 9.835 -10.469 7.719 535 H MET 67 HN MET 67 4.704 -13.715 10.286 536 HA MET 67 HA MET 67 2.544 -12.105 9.115 537 1HB MET 67 HB2 MET 67 3.650 -13.761 7.623 538 2HB MET 67 HB1 MET 67 3.110 -15.052 8.688 539 1HG MET 67 HG2 MET 67 0.778 -14.435 8.244 540 2HG MET 67 HG1 MET 67 1.324 -13.166 7.155 541 1HE MET 67 HE1 MET 67 -0.178 -14.065 5.208 542 2HE MET 67 HE2 MET 67 -0.781 -15.361 6.258 543 3HE MET 67 HE3 MET 67 -0.177 -15.748 4.654 544 H ASP 68 HN ASP 68 3.089 -15.104 10.888 545 HA ASP 68 HA ASP 68 1.002 -14.410 12.809 546 1HB ASP 68 HB2 ASP 68 1.005 -16.985 11.229 547 2HB ASP 68 HB1 ASP 68 0.121 -16.771 12.716 548 H LYS 69 HN LYS 69 1.277 -15.572 14.807 549 HA LYS 69 HA LYS 69 3.893 -16.917 14.976 550 1HB LYS 69 HB2 LYS 69 3.081 -14.795 16.464 551 2HB LYS 69 HB1 LYS 69 2.494 -16.102 17.483 552 1HG LYS 69 HG2 LYS 69 5.320 -15.903 16.498 553 2HG LYS 69 HG1 LYS 69 4.772 -15.239 18.040 554 1HD LYS 69 HD2 LYS 69 4.185 -17.457 18.820 555 2HD LYS 69 HD1 LYS 69 4.528 -18.152 17.243 556 1HE LYS 69 HE2 LYS 69 6.565 -16.776 18.974 557 2HE LYS 69 HE1 LYS 69 6.335 -18.522 18.892 558 1HZ LYS 69 HZ1 LYS 69 6.918 -18.504 16.579 559 2HZ LYS 69 HZ2 LYS 69 8.153 -17.719 17.442 560 3HZ LYS 69 HZ3 LYS 69 7.023 -16.811 16.573 561 H ALA 70 HN ALA 70 3.306 -18.946 14.434 562 HA ALA 70 HA ALA 70 2.359 -21.013 14.480 563 1HB ALA 70 HB1 ALA 70 1.432 -21.879 16.541 564 2HB ALA 70 HB2 ALA 70 1.361 -20.257 17.233 565 3HB ALA 70 HB3 ALA 70 2.914 -21.000 16.864 566 H ALA 71 HN ALA 71 -0.087 -19.256 16.368 567 HA ALA 71 HA ALA 71 -1.858 -19.315 14.040 568 1HB ALA 71 HB1 ALA 71 -2.700 -20.219 16.800 569 2HB ALA 71 HB2 ALA 71 -2.437 -21.262 15.406 570 3HB ALA 71 HB3 ALA 71 -3.749 -20.090 15.384 571 H GLY 72 HN GLY 72 -1.659 -18.320 17.451 572 1HA GLY 72 HA2 GLY 72 -1.407 -15.631 17.264 573 2HA GLY 72 HA1 GLY 72 -3.127 -15.878 16.961 Start of MODEL 6 1 1H MET 1 HT1 MET 1 8.780 -5.533 -6.059 2 2H MET 1 HT2 MET 1 8.270 -6.754 -7.119 3 3H MET 1 HT3 MET 1 8.446 -7.097 -5.465 4 HA MET 1 HA MET 1 6.673 -5.640 -4.884 5 1HB MET 1 HB2 MET 1 5.362 -4.457 -6.546 6 2HB MET 1 HB1 MET 1 7.050 -4.013 -6.716 7 1HG MET 1 HG2 MET 1 7.287 -5.485 -8.625 8 2HG MET 1 HG1 MET 1 5.620 -6.019 -8.454 9 1HE MET 1 HE1 MET 1 5.027 -5.437 -10.952 10 2HE MET 1 HE2 MET 1 6.727 -5.018 -11.178 11 3HE MET 1 HE3 MET 1 5.472 -3.911 -11.734 12 H THR 2 HN THR 2 4.220 -5.995 -5.809 13 HA THR 2 HA THR 2 3.890 -8.853 -5.995 14 HB THR 2 HB THR 2 1.430 -8.259 -5.886 15 HG1 THR 2 HG1 THR 2 0.965 -6.107 -5.228 16 1HG2 THR 2 HG21 THR 2 3.174 -7.273 -3.636 17 2HG2 THR 2 HG22 THR 2 2.724 -8.955 -3.914 18 3HG2 THR 2 HG23 THR 2 1.478 -7.768 -3.501 19 H SER 3 HN SER 3 2.242 -9.711 -7.476 20 HA SER 3 HA SER 3 1.514 -10.237 -9.535 21 1HB SER 3 HB2 SER 3 0.608 -8.437 -10.976 22 2HB SER 3 HB1 SER 3 0.065 -8.313 -9.308 23 HG SER 3 HG SER 3 2.265 -6.882 -9.493 24 H VAL 4 HN VAL 4 3.515 -11.213 -10.025 25 HA VAL 4 HA VAL 4 5.176 -9.799 -11.984 26 HB VAL 4 HB VAL 4 5.541 -12.581 -10.850 27 1HG1 VAL 4 HG11 VAL 4 6.630 -12.309 -12.998 28 2HG1 VAL 4 HG12 VAL 4 7.829 -12.407 -11.709 29 3HG1 VAL 4 HG13 VAL 4 7.439 -10.843 -12.415 30 1HG2 VAL 4 HG21 VAL 4 5.733 -10.874 -9.098 31 2HG2 VAL 4 HG22 VAL 4 6.920 -10.001 -10.077 32 3HG2 VAL 4 HG23 VAL 4 7.292 -11.606 -9.441 33 H PHE 5 HN PHE 5 2.737 -12.126 -11.600 34 HA PHE 5 HA PHE 5 2.181 -12.210 -14.420 35 1HB PHE 5 HB2 PHE 5 2.260 -14.651 -14.648 36 2HB PHE 5 HB1 PHE 5 3.858 -13.995 -14.307 37 HD1 PHE 5 HD1 PHE 5 4.778 -14.200 -11.992 38 HD2 PHE 5 HD2 PHE 5 1.276 -16.260 -13.223 39 HE1 PHE 5 HE1 PHE 5 5.041 -15.762 -10.113 40 HE2 PHE 5 HE2 PHE 5 1.525 -17.827 -11.354 41 HZ PHE 5 HZ PHE 5 3.420 -17.575 -9.783 42 H ASP 6 HN ASP 6 1.638 -13.421 -11.189 43 HA ASP 6 HA ASP 6 -1.203 -13.694 -11.491 44 1HB ASP 6 HB2 ASP 6 -1.124 -14.200 -9.089 45 2HB ASP 6 HB1 ASP 6 0.147 -15.087 -9.913 46 H ARG 7 HN ARG 7 -2.157 -12.525 -9.198 47 HA ARG 7 HA ARG 7 -1.010 -9.942 -8.711 48 1HB ARG 7 HB2 ARG 7 -2.468 -9.574 -10.784 49 2HB ARG 7 HB1 ARG 7 -3.852 -9.917 -9.742 50 1HG ARG 7 HG2 ARG 7 -3.285 -8.054 -8.315 51 2HG ARG 7 HG1 ARG 7 -1.841 -7.715 -9.271 52 1HD ARG 7 HD2 ARG 7 -3.426 -7.457 -11.238 53 2HD ARG 7 HD1 ARG 7 -4.732 -7.432 -10.058 54 HE ARG 7 HE ARG 7 -2.820 -5.557 -9.263 55 1HH1 ARG 7 HH11 ARG 7 -5.125 -6.046 -11.858 56 2HH1 ARG 7 HH12 ARG 7 -5.293 -4.333 -12.171 57 1HH2 ARG 7 HH21 ARG 7 -3.043 -3.325 -9.705 58 2HH2 ARG 7 HH22 ARG 7 -4.111 -2.799 -10.972 59 H ASP 8 HN ASP 8 -0.857 -10.482 -6.623 60 HA ASP 8 HA ASP 8 -3.178 -11.627 -5.264 61 1HB ASP 8 HB2 ASP 8 -1.033 -12.753 -4.955 62 2HB ASP 8 HB1 ASP 8 -0.317 -11.261 -4.327 63 H ASP 9 HN ASP 9 -0.754 -9.168 -4.498 64 HA ASP 9 HA ASP 9 -2.762 -7.832 -2.801 65 1HB ASP 9 HB2 ASP 9 -0.855 -8.816 -1.573 66 2HB ASP 9 HB1 ASP 9 0.243 -7.813 -2.525 67 H ILE 10 HN ILE 10 -3.203 -5.744 -3.137 68 HA ILE 10 HA ILE 10 -1.846 -4.405 -5.352 69 HB ILE 10 HB ILE 10 -3.629 -2.655 -5.025 70 1HG1 ILE 10 HG12 ILE 10 -4.834 -4.715 -3.181 71 2HG1 ILE 10 HG11 ILE 10 -4.128 -3.182 -2.662 72 1HG2 ILE 10 HG21 ILE 10 -5.412 -3.966 -6.043 73 2HG2 ILE 10 HG22 ILE 10 -4.591 -5.452 -5.551 74 3HG2 ILE 10 HG23 ILE 10 -3.831 -4.378 -6.728 75 1HD1 ILE 10 HD11 ILE 10 -6.537 -3.054 -2.736 76 2HD1 ILE 10 HD12 ILE 10 -6.540 -3.484 -4.442 77 3HD1 ILE 10 HD13 ILE 10 -5.817 -1.965 -3.915 78 H GLN 11 HN GLN 11 -1.819 -1.792 -4.804 79 HA GLN 11 HA GLN 11 0.009 -1.715 -2.519 80 1HB GLN 11 HB2 GLN 11 -0.094 0.032 -4.988 81 2HB GLN 11 HB1 GLN 11 0.976 0.307 -3.607 82 1HG GLN 11 HG2 GLN 11 1.887 -1.998 -3.975 83 2HG GLN 11 HG1 GLN 11 0.999 -2.036 -5.493 84 1HE2 GLN 11 HE21 GLN 11 3.658 -0.645 -3.765 85 2HE2 GLN 11 HE22 GLN 11 4.418 0.137 -5.123 86 H PHE 12 HN PHE 12 -0.056 -0.102 -1.025 87 HA PHE 12 HA PHE 12 -2.474 1.571 -1.037 88 1HB PHE 12 HB2 PHE 12 -1.400 -0.116 1.212 89 2HB PHE 12 HB1 PHE 12 -2.577 1.142 1.468 90 HD1 PHE 12 HD1 PHE 12 -1.985 -2.182 0.124 91 HD2 PHE 12 HD2 PHE 12 -4.875 0.882 0.734 92 HE1 PHE 12 HE1 PHE 12 -3.793 -3.784 -0.352 93 HE2 PHE 12 HE2 PHE 12 -6.677 -0.707 0.257 94 HZ PHE 12 HZ PHE 12 -6.146 -3.055 -0.275 95 H GLN 13 HN GLN 13 -2.324 3.136 0.888 96 HA GLN 13 HA GLN 13 0.411 4.057 1.426 97 1HB GLN 13 HB2 GLN 13 -0.060 6.329 0.862 98 2HB GLN 13 HB1 GLN 13 -0.622 5.381 -0.511 99 1HG GLN 13 HG2 GLN 13 -2.930 5.509 0.447 100 2HG GLN 13 HG1 GLN 13 -2.289 6.611 1.671 101 1HE2 GLN 13 HE21 GLN 13 -3.254 6.211 -1.576 102 2HE2 GLN 13 HE22 GLN 13 -3.103 7.867 -2.077 103 H VAL 14 HN VAL 14 0.373 5.638 3.318 104 HA VAL 14 HA VAL 14 -1.783 4.848 5.147 105 HB VAL 14 HB VAL 14 0.930 5.998 5.790 106 1HG1 VAL 14 HG11 VAL 14 0.392 5.403 8.104 107 2HG1 VAL 14 HG12 VAL 14 -1.200 4.859 7.591 108 3HG1 VAL 14 HG13 VAL 14 -0.766 6.559 7.455 109 1HG2 VAL 14 HG21 VAL 14 -0.075 3.181 6.009 110 2HG2 VAL 14 HG22 VAL 14 1.481 3.753 6.603 111 3HG2 VAL 14 HG23 VAL 14 1.132 3.766 4.875 112 H VAL 15 HN VAL 15 -3.255 6.390 5.741 113 HA VAL 15 HA VAL 15 -2.505 9.177 5.194 114 HB VAL 15 HB VAL 15 -4.946 9.636 4.928 115 1HG1 VAL 15 HG11 VAL 15 -3.870 7.558 3.037 116 2HG1 VAL 15 HG12 VAL 15 -3.491 9.276 2.979 117 3HG1 VAL 15 HG13 VAL 15 -5.140 8.726 2.686 118 1HG2 VAL 15 HG21 VAL 15 -6.467 7.749 4.530 119 2HG2 VAL 15 HG22 VAL 15 -5.856 7.779 6.194 120 3HG2 VAL 15 HG23 VAL 15 -5.194 6.637 5.014 121 H VAL 16 HN VAL 16 -2.984 10.712 6.642 122 HA VAL 16 HA VAL 16 -4.047 9.809 9.253 123 HB VAL 16 HB VAL 16 -1.560 10.253 9.333 124 1HG1 VAL 16 HG11 VAL 16 -2.378 13.110 8.800 125 2HG1 VAL 16 HG12 VAL 16 -1.484 12.073 7.694 126 3HG1 VAL 16 HG13 VAL 16 -0.755 12.568 9.234 127 1HG2 VAL 16 HG21 VAL 16 -3.268 12.088 10.999 128 2HG2 VAL 16 HG22 VAL 16 -1.614 11.607 11.366 129 3HG2 VAL 16 HG23 VAL 16 -2.904 10.399 11.337 130 H ASN 17 HN ASN 17 -5.534 11.169 10.202 131 HA ASN 17 HA ASN 17 -6.480 13.374 8.520 132 1HB ASN 17 HB2 ASN 17 -8.115 11.667 9.405 133 2HB ASN 17 HB1 ASN 17 -7.771 12.262 11.035 134 1HD2 ASN 17 HD21 ASN 17 -9.946 12.918 11.300 135 2HD2 ASN 17 HD22 ASN 17 -10.556 14.334 10.513 136 H HIS 18 HN HIS 18 -7.233 15.373 9.794 137 HA HIS 18 HA HIS 18 -4.952 16.426 11.146 138 1HB HIS 18 HB2 HIS 18 -7.727 17.574 10.756 139 2HB HIS 18 HB1 HIS 18 -6.363 18.462 11.446 140 HD1 HIS 18 HD1 HIS 18 -4.728 19.488 9.836 141 HD2 HIS 18 HD2 HIS 18 -7.387 16.901 7.975 142 HE1 HIS 18 HE1 HIS 18 -4.336 19.771 7.376 143 HE2 HIS 18 HE2 HIS 18 -5.944 18.192 6.252 144 H GLU 19 HN GLU 19 -7.236 14.374 12.223 145 HA GLU 19 HA GLU 19 -7.337 15.376 14.966 146 1HB GLU 19 HB2 GLU 19 -8.423 12.792 13.787 147 2HB GLU 19 HB1 GLU 19 -8.769 13.453 15.388 148 1HG GLU 19 HG2 GLU 19 -9.993 15.261 14.476 149 2HG GLU 19 HG1 GLU 19 -9.431 14.887 12.842 150 H GLU 20 HN GLU 20 -5.019 14.074 13.197 151 HA GLU 20 HA GLU 20 -3.135 12.877 13.510 152 1HB GLU 20 HB2 GLU 20 -3.150 14.405 15.566 153 2HB GLU 20 HB1 GLU 20 -3.693 13.007 16.479 154 1HG GLU 20 HG2 GLU 20 -1.265 13.370 16.655 155 2HG GLU 20 HG1 GLU 20 -1.675 11.804 15.964 156 H GLN 21 HN GLN 21 -5.605 11.439 13.163 157 HA GLN 21 HA GLN 21 -4.776 8.912 14.373 158 1HB GLN 21 HB2 GLN 21 -7.083 8.092 14.031 159 2HB GLN 21 HB1 GLN 21 -7.030 9.507 15.074 160 1HG GLN 21 HG2 GLN 21 -7.712 10.913 13.202 161 2HG GLN 21 HG1 GLN 21 -7.797 9.490 12.172 162 1HE2 GLN 21 HE21 GLN 21 -9.983 9.689 11.773 163 2HE2 GLN 21 HE22 GLN 21 -11.194 9.432 12.988 164 H TYR 22 HN TYR 22 -4.583 7.107 13.071 165 HA TYR 22 HA TYR 22 -4.042 7.802 10.272 166 1HB TYR 22 HB2 TYR 22 -2.922 5.686 12.105 167 2HB TYR 22 HB1 TYR 22 -2.638 5.683 10.371 168 HD1 TYR 22 HD1 TYR 22 -2.127 7.729 13.449 169 HD2 TYR 22 HD2 TYR 22 -0.935 6.960 9.434 170 HE1 TYR 22 HE1 TYR 22 -0.212 9.224 13.744 171 HE2 TYR 22 HE2 TYR 22 0.999 8.461 9.713 172 HH TYR 22 HH TYR 22 1.892 9.733 12.823 173 H SER 23 HN SER 23 -4.505 6.369 8.613 174 HA SER 23 HA SER 23 -6.021 3.961 9.100 175 1HB SER 23 HB2 SER 23 -7.708 5.872 9.025 176 2HB SER 23 HB1 SER 23 -7.230 6.107 7.342 177 HG SER 23 HG SER 23 -8.788 4.135 8.489 178 H ILE 24 HN ILE 24 -6.558 3.000 6.732 179 HA ILE 24 HA ILE 24 -4.114 3.458 5.166 180 HB ILE 24 HB ILE 24 -4.375 1.196 4.287 181 1HG1 ILE 24 HG12 ILE 24 -6.701 0.953 6.214 182 2HG1 ILE 24 HG11 ILE 24 -6.837 1.058 4.469 183 1HG2 ILE 24 HG21 ILE 24 -3.830 -0.056 6.329 184 2HG2 ILE 24 HG22 ILE 24 -4.439 1.277 7.304 185 3HG2 ILE 24 HG23 ILE 24 -3.018 1.511 6.275 186 1HD1 ILE 24 HD11 ILE 24 -5.457 -1.158 5.953 187 2HD1 ILE 24 HD12 ILE 24 -5.674 -1.043 4.207 188 3HD1 ILE 24 HD13 ILE 24 -7.080 -1.229 5.257 189 H TRP 25 HN TRP 25 -4.260 3.571 2.918 190 HA TRP 25 HA TRP 25 -6.926 3.770 1.738 191 1HB TRP 25 HB2 TRP 25 -6.329 6.042 2.638 192 2HB TRP 25 HB1 TRP 25 -4.923 6.031 1.555 193 HD1 TRP 25 HD1 TRP 25 -5.317 6.703 -0.943 194 HE1 TRP 25 HE1 TRP 25 -7.352 7.528 -2.271 195 HE3 TRP 25 HE3 TRP 25 -8.961 5.706 2.485 196 HZ2 TRP 25 HZ2 TRP 25 -10.134 7.715 -1.916 197 HZ3 TRP 25 HZ3 TRP 25 -11.307 6.253 1.903 198 HH2 TRP 25 HH2 TRP 25 -11.869 7.226 -0.253 199 HA PRO 26 HA PRO 26 -4.641 1.698 -1.528 200 1HB PRO 26 HB2 PRO 26 -6.863 2.673 -3.214 201 2HB PRO 26 HB1 PRO 26 -6.277 1.018 -2.961 202 1HG PRO 26 HG2 PRO 26 -8.581 1.826 -1.893 203 2HG PRO 26 HG1 PRO 26 -7.479 0.746 -1.022 204 1HD PRO 26 HD2 PRO 26 -7.928 3.681 -0.666 205 2HD PRO 26 HD1 PRO 26 -7.699 2.421 0.562 206 H GLU 27 HN GLU 27 -3.094 2.493 -2.916 207 HA GLU 27 HA GLU 27 -2.741 5.295 -2.966 208 1HB GLU 27 HB2 GLU 27 -0.641 4.855 -4.067 209 2HB GLU 27 HB1 GLU 27 -0.874 3.687 -2.769 210 1HG GLU 27 HG2 GLU 27 -0.381 2.119 -4.249 211 2HG GLU 27 HG1 GLU 27 -1.959 2.434 -4.979 212 H TYR 28 HN TYR 28 -4.496 3.243 -4.851 213 HA TYR 28 HA TYR 28 -4.090 4.403 -7.412 214 1HB TYR 28 HB2 TYR 28 -6.357 2.658 -6.472 215 2HB TYR 28 HB1 TYR 28 -5.875 2.949 -8.136 216 HD1 TYR 28 HD1 TYR 28 -3.915 1.888 -9.075 217 HD2 TYR 28 HD2 TYR 28 -5.042 1.207 -5.035 218 HE1 TYR 28 HE1 TYR 28 -2.381 -0.033 -8.987 219 HE2 TYR 28 HE2 TYR 28 -3.511 -0.718 -4.911 220 HH TYR 28 HH TYR 28 -1.113 -1.288 -7.269 221 H LYS 29 HN LYS 29 -6.188 4.971 -4.690 222 HA LYS 29 HA LYS 29 -7.858 6.791 -6.279 223 1HB LYS 29 HB2 LYS 29 -8.172 5.823 -3.426 224 2HB LYS 29 HB1 LYS 29 -9.249 6.973 -4.194 225 1HG LYS 29 HG2 LYS 29 -10.417 5.022 -4.428 226 2HG LYS 29 HG1 LYS 29 -9.557 5.077 -5.964 227 1HD LYS 29 HD2 LYS 29 -7.843 3.573 -5.072 228 2HD LYS 29 HD1 LYS 29 -8.694 3.528 -3.533 229 1HE LYS 29 HE2 LYS 29 -9.810 2.583 -6.169 230 2HE LYS 29 HE1 LYS 29 -9.192 1.551 -4.885 231 1HZ LYS 29 HZ1 LYS 29 -11.563 3.336 -4.702 232 2HZ LYS 29 HZ2 LYS 29 -10.932 2.406 -3.419 233 3HZ LYS 29 HZ3 LYS 29 -11.573 1.629 -4.792 234 H GLU 30 HN GLU 30 -8.094 8.955 -5.749 235 HA GLU 30 HA GLU 30 -5.792 10.247 -4.632 236 1HB GLU 30 HB2 GLU 30 -7.024 11.304 -6.436 237 2HB GLU 30 HB1 GLU 30 -8.507 11.266 -5.495 238 1HG GLU 30 HG2 GLU 30 -7.595 13.507 -5.525 239 2HG GLU 30 HG1 GLU 30 -7.536 12.840 -3.896 240 H ILE 31 HN ILE 31 -5.748 11.529 -2.667 241 HA ILE 31 HA ILE 31 -6.996 10.296 -0.462 242 HB ILE 31 HB ILE 31 -5.622 12.992 -0.541 243 1HG1 ILE 31 HG12 ILE 31 -4.371 10.249 -0.246 244 2HG1 ILE 31 HG11 ILE 31 -4.219 11.318 -1.650 245 1HG2 ILE 31 HG21 ILE 31 -5.014 12.473 1.772 246 2HG2 ILE 31 HG22 ILE 31 -5.916 10.962 1.661 247 3HG2 ILE 31 HG23 ILE 31 -6.760 12.502 1.548 248 1HD1 ILE 31 HD11 ILE 31 -2.231 11.414 -0.280 249 2HD1 ILE 31 HD12 ILE 31 -3.198 11.845 1.122 250 3HD1 ILE 31 HD13 ILE 31 -3.079 12.960 -0.238 251 HA PRO 32 HA PRO 32 -10.842 12.395 -0.719 252 1HB PRO 32 HB2 PRO 32 -11.824 11.802 1.733 253 2HB PRO 32 HB1 PRO 32 -11.662 10.603 0.433 254 1HG PRO 32 HG2 PRO 32 -9.860 11.125 2.772 255 2HG PRO 32 HG1 PRO 32 -10.430 9.580 2.118 256 1HD PRO 32 HD2 PRO 32 -7.980 10.604 1.579 257 2HD PRO 32 HD1 PRO 32 -8.857 9.591 0.423 258 H GLN 33 HN GLN 33 -8.443 14.018 0.378 259 HA GLN 33 HA GLN 33 -8.328 16.254 0.727 260 1HB GLN 33 HB2 GLN 33 -10.506 16.539 -0.304 261 2HB GLN 33 HB1 GLN 33 -11.306 16.088 1.187 262 1HG GLN 33 HG2 GLN 33 -10.259 18.072 2.268 263 2HG GLN 33 HG1 GLN 33 -9.681 18.570 0.674 264 1HE2 GLN 33 HE21 GLN 33 -10.879 20.467 0.686 265 2HE2 GLN 33 HE22 GLN 33 -12.608 20.453 0.466 266 H GLY 34 HN GLY 34 -10.567 14.763 3.076 267 1HA GLY 34 HA2 GLY 34 -9.802 16.421 5.234 268 2HA GLY 34 HA1 GLY 34 -10.619 14.874 5.377 269 H TRP 35 HN TRP 35 -8.420 13.474 3.967 270 HA TRP 35 HA TRP 35 -6.729 13.162 6.345 271 1HB TRP 35 HB2 TRP 35 -7.097 11.332 3.958 272 2HB TRP 35 HB1 TRP 35 -6.111 10.986 5.399 273 HD1 TRP 35 HD1 TRP 35 -9.820 11.471 4.402 274 HE1 TRP 35 HE1 TRP 35 -11.275 10.164 6.074 275 HE3 TRP 35 HE3 TRP 35 -6.168 9.891 7.612 276 HZ2 TRP 35 HZ2 TRP 35 -10.926 8.674 8.457 277 HZ3 TRP 35 HZ3 TRP 35 -6.808 8.536 9.553 278 HH2 TRP 35 HH2 TRP 35 -9.135 7.939 9.976 279 H ARG 36 HN ARG 36 -4.392 12.726 5.948 280 HA ARG 36 HA ARG 36 -3.441 13.912 3.422 281 1HB ARG 36 HB2 ARG 36 -3.213 15.374 5.594 282 2HB ARG 36 HB1 ARG 36 -1.910 14.253 5.990 283 1HG ARG 36 HG2 ARG 36 -0.776 15.952 4.947 284 2HG ARG 36 HG1 ARG 36 -1.031 14.821 3.629 285 1HD ARG 36 HD2 ARG 36 -2.386 17.422 4.168 286 2HD ARG 36 HD1 ARG 36 -1.607 16.856 2.687 287 HE ARG 36 HE ARG 36 -4.003 15.432 3.538 288 1HH1 ARG 36 HH11 ARG 36 -2.616 17.849 1.415 289 2HH1 ARG 36 HH12 ARG 36 -3.989 17.860 0.349 290 1HH2 ARG 36 HH21 ARG 36 -5.787 15.469 2.185 291 2HH2 ARG 36 HH22 ARG 36 -5.818 16.511 0.788 292 H ALA 37 HN ALA 37 -1.508 12.984 2.605 293 HA ALA 37 HA ALA 37 -1.137 10.246 3.287 294 1HB ALA 37 HB1 ALA 37 0.639 10.234 1.597 295 2HB ALA 37 HB2 ALA 37 0.556 11.997 1.509 296 3HB ALA 37 HB3 ALA 37 -0.825 11.028 0.994 297 H ALA 38 HN ALA 38 0.309 9.328 4.627 298 HA ALA 38 HA ALA 38 2.519 10.947 5.669 299 1HB ALA 38 HB1 ALA 38 0.687 11.385 7.214 300 2HB ALA 38 HB2 ALA 38 1.950 10.426 7.995 301 3HB ALA 38 HB3 ALA 38 0.470 9.659 7.436 302 H GLY 39 HN GLY 39 4.136 9.734 6.714 303 1HA GLY 39 HA2 GLY 39 5.362 7.845 7.174 304 2HA GLY 39 HA1 GLY 39 3.937 6.877 6.868 305 H LYS 40 HN LYS 40 3.642 5.926 4.917 306 HA LYS 40 HA LYS 40 5.437 6.440 2.747 307 1HB LYS 40 HB2 LYS 40 6.936 5.231 4.271 308 2HB LYS 40 HB1 LYS 40 5.762 3.926 4.392 309 1HG LYS 40 HG2 LYS 40 6.086 3.416 2.020 310 2HG LYS 40 HG1 LYS 40 7.264 4.744 1.905 311 1HD LYS 40 HD2 LYS 40 8.748 3.645 3.413 312 2HD LYS 40 HD1 LYS 40 7.555 2.400 3.787 313 1HE LYS 40 HE2 LYS 40 8.876 2.877 1.108 314 2HE LYS 40 HE1 LYS 40 9.223 1.568 2.229 315 1HZ LYS 40 HZ1 LYS 40 6.711 2.012 0.739 316 2HZ LYS 40 HZ2 LYS 40 6.869 0.877 1.974 317 3HZ LYS 40 HZ3 LYS 40 7.798 0.721 0.556 318 H SER 41 HN SER 41 4.919 5.276 0.889 319 HA SER 41 HA SER 41 2.389 3.812 0.962 320 1HB SER 41 HB2 SER 41 3.793 5.026 -1.410 321 2HB SER 41 HB1 SER 41 2.191 4.305 -1.407 322 HG SER 41 HG SER 41 2.977 6.583 0.086 323 H GLY 42 HN GLY 42 2.211 1.829 -0.250 324 1HA GLY 42 HA2 GLY 42 4.172 0.506 -1.631 325 2HA GLY 42 HA1 GLY 42 4.555 0.200 0.070 326 H LEU 43 HN LEU 43 4.194 -2.058 -0.377 327 HA LEU 43 HA LEU 43 1.574 -2.949 -1.159 328 1HB LEU 43 HB2 LEU 43 4.052 -4.334 -0.189 329 2HB LEU 43 HB1 LEU 43 2.549 -5.205 -0.374 330 HG LEU 43 HG LEU 43 3.816 -5.619 -2.325 331 1HD1 LEU 43 HD11 LEU 43 1.459 -5.241 -2.721 332 2HD1 LEU 43 HD12 LEU 43 2.418 -4.695 -4.094 333 3HD1 LEU 43 HD13 LEU 43 1.754 -3.517 -2.949 334 1HD2 LEU 43 HD21 LEU 43 4.744 -3.905 -3.762 335 2HD2 LEU 43 HD22 LEU 43 5.399 -3.729 -2.128 336 3HD2 LEU 43 HD23 LEU 43 4.123 -2.637 -2.703 337 H LYS 44 HN LYS 44 0.508 -4.708 0.290 338 HA LYS 44 HA LYS 44 -0.639 -3.502 2.462 339 1HB LYS 44 HB2 LYS 44 -1.531 -5.486 1.317 340 2HB LYS 44 HB1 LYS 44 -0.266 -6.469 2.007 341 1HG LYS 44 HG2 LYS 44 -2.081 -6.909 3.357 342 2HG LYS 44 HG1 LYS 44 -1.167 -5.711 4.278 343 1HD LYS 44 HD2 LYS 44 -3.552 -5.190 4.298 344 2HD LYS 44 HD1 LYS 44 -2.640 -3.951 3.435 345 1HE LYS 44 HE2 LYS 44 -4.762 -4.611 2.310 346 2HE LYS 44 HE1 LYS 44 -3.322 -4.836 1.329 347 1HZ LYS 44 HZ1 LYS 44 -5.010 -6.686 1.307 348 2HZ LYS 44 HZ2 LYS 44 -4.521 -7.042 2.894 349 3HZ LYS 44 HZ3 LYS 44 -3.406 -7.138 1.621 350 H LYS 45 HN LYS 45 1.925 -5.991 2.580 351 HA LYS 45 HA LYS 45 2.083 -6.031 5.364 352 1HB LYS 45 HB2 LYS 45 4.379 -7.060 4.980 353 2HB LYS 45 HB1 LYS 45 3.010 -7.886 4.274 354 1HG LYS 45 HG2 LYS 45 4.558 -7.980 2.582 355 2HG LYS 45 HG1 LYS 45 3.618 -6.543 2.137 356 1HD LYS 45 HD2 LYS 45 5.337 -5.099 3.042 357 2HD LYS 45 HD1 LYS 45 6.226 -6.489 3.672 358 1HE LYS 45 HE2 LYS 45 5.650 -6.080 0.744 359 2HE LYS 45 HE1 LYS 45 7.122 -5.497 1.531 360 1HZ LYS 45 HZ1 LYS 45 6.290 -8.339 1.597 361 2HZ LYS 45 HZ2 LYS 45 7.790 -7.673 2.053 362 3HZ LYS 45 HZ3 LYS 45 7.333 -7.699 0.420 363 H ASP 46 HN ASP 46 3.632 -3.965 3.026 364 HA ASP 46 HA ASP 46 5.533 -2.817 4.761 365 1HB ASP 46 HB2 ASP 46 5.596 -2.755 2.247 366 2HB ASP 46 HB1 ASP 46 4.299 -1.572 2.313 367 H CYS 47 HN CYS 47 2.264 -1.976 3.800 368 HA CYS 47 HA CYS 47 2.099 0.476 5.169 369 1HB CYS 47 HB2 CYS 47 0.613 -0.181 3.287 370 2HB CYS 47 HB1 CYS 47 -0.106 -1.411 4.321 371 HG CYS 47 HG CYS 47 -0.293 1.955 4.868 372 H LEU 48 HN LEU 48 0.958 -2.779 5.917 373 HA LEU 48 HA LEU 48 -0.188 -2.270 8.412 374 1HB LEU 48 HB2 LEU 48 1.234 -4.800 7.507 375 2HB LEU 48 HB1 LEU 48 0.127 -4.681 8.867 376 HG LEU 48 HG LEU 48 -0.518 -4.432 5.935 377 1HD1 LEU 48 HD11 LEU 48 -2.012 -6.299 6.419 378 2HD1 LEU 48 HD12 LEU 48 -1.408 -6.355 8.076 379 3HD1 LEU 48 HD13 LEU 48 -0.331 -6.696 6.721 380 1HD2 LEU 48 HD21 LEU 48 -2.820 -4.016 6.590 381 2HD2 LEU 48 HD22 LEU 48 -1.736 -2.728 7.163 382 3HD2 LEU 48 HD23 LEU 48 -2.330 -3.951 8.292 383 H ALA 49 HN ALA 49 3.107 -3.056 7.535 384 HA ALA 49 HA ALA 49 4.238 -3.288 10.068 385 1HB ALA 49 HB1 ALA 49 6.381 -2.816 9.018 386 2HB ALA 49 HB2 ALA 49 5.566 -2.170 7.596 387 3HB ALA 49 HB3 ALA 49 5.415 -3.878 7.999 388 H TYR 50 HN TYR 50 3.831 -0.395 8.048 389 HA TYR 50 HA TYR 50 5.024 1.378 9.841 390 1HB TYR 50 HB2 TYR 50 4.659 2.002 7.512 391 2HB TYR 50 HB1 TYR 50 2.919 1.958 7.762 392 HD1 TYR 50 HD1 TYR 50 6.037 3.730 8.721 393 HD2 TYR 50 HD2 TYR 50 1.786 3.847 8.637 394 HE1 TYR 50 HE1 TYR 50 6.089 6.103 9.394 395 HE2 TYR 50 HE2 TYR 50 1.822 6.204 9.337 396 HH TYR 50 HH TYR 50 3.359 7.768 10.502 397 H ILE 51 HN ILE 51 1.686 0.228 9.627 398 HA ILE 51 HA ILE 51 0.609 2.262 11.312 399 HB ILE 51 HB ILE 51 -0.592 -0.488 10.946 400 1HG1 ILE 51 HG12 ILE 51 -0.079 0.310 8.710 401 2HG1 ILE 51 HG11 ILE 51 -1.811 0.424 8.974 402 1HG2 ILE 51 HG21 ILE 51 -1.692 0.859 12.598 403 2HG2 ILE 51 HG22 ILE 51 -2.716 0.784 11.161 404 3HG2 ILE 51 HG23 ILE 51 -1.767 2.232 11.500 405 1HD1 ILE 51 HD11 ILE 51 -1.584 2.816 9.386 406 2HD1 ILE 51 HD12 ILE 51 -0.951 2.361 7.795 407 3HD1 ILE 51 HD13 ILE 51 0.152 2.699 9.125 408 H GLU 52 HN GLU 52 1.892 -0.943 11.789 409 HA GLU 52 HA GLU 52 1.388 -1.338 14.482 410 1HB GLU 52 HB2 GLU 52 2.335 -3.008 12.905 411 2HB GLU 52 HB1 GLU 52 3.858 -2.125 12.925 412 1HG GLU 52 HG2 GLU 52 4.176 -2.602 15.259 413 2HG GLU 52 HG1 GLU 52 2.608 -3.420 15.330 414 H GLU 53 HN GLU 53 3.967 0.492 12.926 415 HA GLU 53 HA GLU 53 5.719 0.838 14.954 416 1HB GLU 53 HB2 GLU 53 4.978 2.948 12.946 417 2HB GLU 53 HB1 GLU 53 6.438 2.942 13.918 418 1HG GLU 53 HG2 GLU 53 5.682 0.780 11.974 419 2HG GLU 53 HG1 GLU 53 6.770 2.123 11.618 420 H VAL 54 HN VAL 54 3.182 3.861 16.124 421 HA VAL 54 HA VAL 54 2.982 2.733 13.414 422 HB VAL 54 HB VAL 54 0.833 3.180 14.365 423 1HG1 VAL 54 HG11 VAL 54 1.778 5.992 14.901 424 2HG1 VAL 54 HG12 VAL 54 1.517 4.737 16.113 425 3HG1 VAL 54 HG13 VAL 54 0.152 5.375 15.201 426 1HG2 VAL 54 HG21 VAL 54 1.426 5.492 12.509 427 2HG2 VAL 54 HG22 VAL 54 -0.145 4.699 12.777 428 3HG2 VAL 54 HG23 VAL 54 1.168 3.823 11.982 429 H TRP 55 HN TRP 55 3.994 5.562 15.203 430 HA TRP 55 HA TRP 55 5.639 6.327 12.916 431 1HB TRP 55 HB2 TRP 55 3.750 7.921 13.002 432 2HB TRP 55 HB1 TRP 55 4.049 8.194 14.716 433 HD1 TRP 55 HD1 TRP 55 4.877 10.595 14.905 434 HE1 TRP 55 HE1 TRP 55 6.692 12.024 13.766 435 HE3 TRP 55 HE3 TRP 55 6.384 7.293 11.332 436 HZ2 TRP 55 HZ2 TRP 55 8.514 11.772 11.641 437 HZ3 TRP 55 HZ3 TRP 55 8.165 7.961 9.783 438 HH2 TRP 55 HH2 TRP 55 9.206 10.150 9.937 439 H THR 56 HN THR 56 5.973 4.631 15.134 440 HA THR 56 HA THR 56 7.451 4.010 16.696 441 HB THR 56 HB THR 56 9.561 5.162 17.075 442 HG1 THR 56 HG1 THR 56 8.276 7.310 15.863 443 1HG2 THR 56 HG21 THR 56 8.777 5.026 14.169 444 2HG2 THR 56 HG22 THR 56 9.416 3.706 15.142 445 3HG2 THR 56 HG23 THR 56 10.434 5.098 14.758 446 H ASP 57 HN ASP 57 5.919 4.053 18.249 447 HA ASP 57 HA ASP 57 5.697 6.530 19.839 448 1HB ASP 57 HB2 ASP 57 3.446 4.590 19.235 449 2HB ASP 57 HB1 ASP 57 3.329 6.118 20.107 450 H MET 58 HN MET 58 4.171 5.729 21.874 451 HA MET 58 HA MET 58 5.747 3.623 23.128 452 1HB MET 58 HB2 MET 58 4.842 4.450 25.238 453 2HB MET 58 HB1 MET 58 5.485 5.792 24.303 454 1HG MET 58 HG2 MET 58 2.579 5.047 24.462 455 2HG MET 58 HG1 MET 58 3.344 6.273 25.462 456 1HE MET 58 HE1 MET 58 0.759 6.928 23.754 457 2HE MET 58 HE2 MET 58 1.256 8.499 23.099 458 3HE MET 58 HE3 MET 58 1.658 8.075 24.768 459 H ARG 59 HN ARG 59 3.693 3.051 21.119 460 HA ARG 59 HA ARG 59 1.557 1.763 22.628 461 1HB ARG 59 HB2 ARG 59 0.913 2.907 20.587 462 2HB ARG 59 HB1 ARG 59 2.080 1.979 19.656 463 1HG ARG 59 HG2 ARG 59 0.811 -0.046 20.006 464 2HG ARG 59 HG1 ARG 59 -0.291 0.804 21.090 465 1HD ARG 59 HD2 ARG 59 0.100 1.502 18.191 466 2HD ARG 59 HD1 ARG 59 -1.185 0.469 18.794 467 HE ARG 59 HE ARG 59 -1.966 2.396 20.100 468 1HH1 ARG 59 HH11 ARG 59 0.101 2.953 17.332 469 2HH1 ARG 59 HH12 ARG 59 -0.503 4.556 17.047 470 1HH2 ARG 59 HH21 ARG 59 -2.820 4.453 19.675 471 2HH2 ARG 59 HH22 ARG 59 -2.182 5.419 18.382 472 HA PRO 60 HA PRO 60 3.744 -2.097 22.786 473 1HB PRO 60 HB2 PRO 60 1.127 -3.333 23.315 474 2HB PRO 60 HB1 PRO 60 2.548 -3.209 24.364 475 1HG PRO 60 HG2 PRO 60 0.304 -1.800 24.824 476 2HG PRO 60 HG1 PRO 60 1.923 -1.161 25.200 477 1HD PRO 60 HD2 PRO 60 0.151 -0.544 22.862 478 2HD PRO 60 HD1 PRO 60 1.146 0.531 23.857 479 H LEU 61 HN LEU 61 4.060 -3.924 21.571 480 HA LEU 61 HA LEU 61 2.744 -3.928 18.971 481 1HB LEU 61 HB2 LEU 61 5.120 -5.480 19.987 482 2HB LEU 61 HB1 LEU 61 4.570 -5.431 18.326 483 HG LEU 61 HG LEU 61 5.684 -3.112 19.913 484 1HD1 LEU 61 HD11 LEU 61 6.802 -4.669 17.591 485 2HD1 LEU 61 HD12 LEU 61 7.369 -4.726 19.252 486 3HD1 LEU 61 HD13 LEU 61 7.534 -3.243 18.319 487 1HD2 LEU 61 HD21 LEU 61 4.788 -3.231 17.036 488 2HD2 LEU 61 HD22 LEU 61 5.552 -1.847 17.830 489 3HD2 LEU 61 HD23 LEU 61 3.946 -2.395 18.340 490 H SER 62 HN SER 62 1.568 -5.081 21.549 491 HA SER 62 HA SER 62 1.523 -7.932 21.003 492 1HB SER 62 HB2 SER 62 1.625 -6.824 23.347 493 2HB SER 62 HB1 SER 62 -0.096 -6.513 23.113 494 HG SER 62 HG SER 62 1.240 -8.888 23.643 495 H LEU 63 HN LEU 63 -0.048 -5.353 19.772 496 HA LEU 63 HA LEU 63 -2.729 -6.393 19.726 497 1HB LEU 63 HB2 LEU 63 -3.103 -4.450 18.143 498 2HB LEU 63 HB1 LEU 63 -2.584 -4.051 19.769 499 HG LEU 63 HG LEU 63 -0.217 -3.916 18.752 500 1HD1 LEU 63 HD11 LEU 63 -0.148 -3.241 16.416 501 2HD1 LEU 63 HD12 LEU 63 -1.870 -3.600 16.260 502 3HD1 LEU 63 HD13 LEU 63 -0.726 -4.900 16.590 503 1HD2 LEU 63 HD21 LEU 63 -0.588 -1.583 18.162 504 2HD2 LEU 63 HD22 LEU 63 -1.461 -2.018 19.635 505 3HD2 LEU 63 HD23 LEU 63 -2.323 -1.876 18.098 506 H ARG 64 HN ARG 64 0.032 -7.204 18.023 507 HA ARG 64 HA ARG 64 -1.149 -7.514 15.426 508 1HB ARG 64 HB2 ARG 64 0.920 -8.557 14.788 509 2HB ARG 64 HB1 ARG 64 1.262 -7.128 15.734 510 1HG ARG 64 HG2 ARG 64 1.715 -8.515 17.679 511 2HG ARG 64 HG1 ARG 64 1.346 -9.963 16.757 512 1HD ARG 64 HD2 ARG 64 3.570 -8.001 16.170 513 2HD ARG 64 HD1 ARG 64 3.747 -9.573 16.953 514 HE ARG 64 HE ARG 64 2.876 -10.524 14.790 515 1HH1 ARG 64 HH11 ARG 64 4.570 -7.455 14.901 516 2HH1 ARG 64 HH12 ARG 64 5.124 -7.562 13.264 517 1HH2 ARG 64 HH21 ARG 64 3.633 -10.663 12.615 518 2HH2 ARG 64 HH22 ARG 64 4.614 -9.381 11.968 519 H GLN 65 HN GLN 65 -1.200 -9.306 18.303 520 HA GLN 65 HA GLN 65 -1.970 -11.330 18.910 521 1HB GLN 65 HB2 GLN 65 -2.895 -11.446 16.043 522 2HB GLN 65 HB1 GLN 65 -3.211 -12.717 17.205 523 1HG GLN 65 HG2 GLN 65 -4.455 -11.146 18.598 524 2HG GLN 65 HG1 GLN 65 -4.129 -9.868 17.435 525 1HE2 GLN 65 HE21 GLN 65 -5.213 -9.821 15.496 526 2HE2 GLN 65 HE22 GLN 65 -6.606 -10.804 15.200 527 H HIS 66 HN HIS 66 -0.873 -13.142 19.319 528 HA HIS 66 HA HIS 66 1.627 -13.560 18.000 529 1HB HIS 66 HB2 HIS 66 0.203 -15.216 20.083 530 2HB HIS 66 HB1 HIS 66 1.844 -15.504 19.547 531 HD1 HIS 66 HD1 HIS 66 -0.125 -13.523 21.905 532 HD2 HIS 66 HD2 HIS 66 3.689 -13.375 20.237 533 HE1 HIS 66 HE1 HIS 66 1.220 -11.993 23.391 534 HE2 HIS 66 HE2 HIS 66 3.521 -11.932 22.374 535 H MET 67 HN MET 67 -1.444 -14.490 17.179 536 HA MET 67 HA MET 67 -0.903 -17.104 16.168 537 1HB MET 67 HB2 MET 67 -3.165 -15.191 15.516 538 2HB MET 67 HB1 MET 67 -3.103 -16.903 15.083 539 1HG MET 67 HG2 MET 67 -4.496 -16.750 16.960 540 2HG MET 67 HG1 MET 67 -2.980 -17.399 17.542 541 1HE MET 67 HE1 MET 67 -4.175 -15.307 20.599 542 2HE MET 67 HE2 MET 67 -3.640 -16.880 20.022 543 3HE MET 67 HE3 MET 67 -5.202 -16.228 19.499 544 H ASP 68 HN ASP 68 -0.047 -14.022 15.110 545 HA ASP 68 HA ASP 68 -0.350 -14.445 12.290 546 1HB ASP 68 HB2 ASP 68 0.369 -12.293 12.052 547 2HB ASP 68 HB1 ASP 68 0.020 -12.200 13.755 548 H LYS 69 HN LYS 69 2.158 -15.014 14.653 549 HA LYS 69 HA LYS 69 4.090 -15.802 12.628 550 1HB LYS 69 HB2 LYS 69 5.613 -16.228 14.506 551 2HB LYS 69 HB1 LYS 69 4.894 -14.613 14.611 552 1HG LYS 69 HG2 LYS 69 3.248 -15.533 16.242 553 2HG LYS 69 HG1 LYS 69 4.122 -17.064 16.192 554 1HD LYS 69 HD2 LYS 69 5.279 -14.425 17.030 555 2HD LYS 69 HD1 LYS 69 4.807 -15.739 18.112 556 1HE LYS 69 HE2 LYS 69 6.467 -17.196 17.028 557 2HE LYS 69 HE1 LYS 69 6.962 -15.856 15.998 558 1HZ LYS 69 HZ1 LYS 69 8.444 -16.104 17.866 559 2HZ LYS 69 HZ2 LYS 69 7.157 -15.942 18.975 560 3HZ LYS 69 HZ3 LYS 69 7.609 -14.631 17.987 561 H ALA 70 HN ALA 70 1.433 -17.158 13.803 562 HA ALA 70 HA ALA 70 2.539 -19.872 14.010 563 1HB ALA 70 HB1 ALA 70 1.100 -19.129 15.858 564 2HB ALA 70 HB2 ALA 70 0.408 -20.508 14.993 565 3HB ALA 70 HB3 ALA 70 -0.222 -18.883 14.716 566 H ALA 71 HN ALA 71 1.905 -18.100 11.564 567 HA ALA 71 HA ALA 71 0.364 -20.152 10.115 568 1HB ALA 71 HB1 ALA 71 -0.693 -18.395 8.777 569 2HB ALA 71 HB2 ALA 71 0.114 -17.164 9.764 570 3HB ALA 71 HB3 ALA 71 -1.096 -18.222 10.482 571 H GLY 72 HN GLY 72 1.013 -20.538 8.006 572 1HA GLY 72 HA2 GLY 72 3.033 -19.015 6.706 573 2HA GLY 72 HA1 GLY 72 3.695 -20.452 7.455 Start of MODEL 7 1 1H MET 1 HT1 MET 1 6.924 -21.588 -7.212 2 2H MET 1 HT2 MET 1 6.650 -20.304 -8.288 3 3H MET 1 HT3 MET 1 8.039 -21.275 -8.462 4 HA MET 1 HA MET 1 6.457 -21.867 -10.121 5 1HB MET 1 HB2 MET 1 7.807 -23.668 -9.137 6 2HB MET 1 HB1 MET 1 6.581 -23.942 -7.912 7 1HG MET 1 HG2 MET 1 6.426 -25.601 -9.665 8 2HG MET 1 HG1 MET 1 4.982 -24.588 -9.649 9 1HE MET 1 HE1 MET 1 4.349 -25.546 -12.057 10 2HE MET 1 HE2 MET 1 5.819 -26.518 -12.060 11 3HE MET 1 HE3 MET 1 5.448 -25.480 -13.439 12 H THR 2 HN THR 2 5.104 -22.457 -6.857 13 HA THR 2 HA THR 2 2.419 -22.410 -8.002 14 HB THR 2 HB THR 2 1.802 -22.922 -5.554 15 HG1 THR 2 HG1 THR 2 3.475 -23.627 -4.245 16 1HG2 THR 2 HG21 THR 2 1.760 -24.603 -7.327 17 2HG2 THR 2 HG22 THR 2 2.360 -25.320 -5.832 18 3HG2 THR 2 HG23 THR 2 3.475 -24.889 -7.128 19 H SER 3 HN SER 3 0.750 -21.144 -6.781 20 HA SER 3 HA SER 3 1.649 -18.421 -6.633 21 1HB SER 3 HB2 SER 3 -1.103 -19.608 -6.225 22 2HB SER 3 HB1 SER 3 -0.729 -17.893 -6.405 23 HG SER 3 HG SER 3 -1.194 -19.656 -8.319 24 H VAL 4 HN VAL 4 2.879 -19.749 -4.576 25 HA VAL 4 HA VAL 4 1.526 -19.468 -2.085 26 HB VAL 4 HB VAL 4 3.792 -19.567 -1.084 27 1HG1 VAL 4 HG11 VAL 4 3.302 -21.601 -3.260 28 2HG1 VAL 4 HG12 VAL 4 2.600 -21.625 -1.635 29 3HG1 VAL 4 HG13 VAL 4 4.342 -21.835 -1.853 30 1HG2 VAL 4 HG21 VAL 4 5.019 -18.329 -2.786 31 2HG2 VAL 4 HG22 VAL 4 4.765 -19.628 -3.945 32 3HG2 VAL 4 HG23 VAL 4 5.750 -19.909 -2.503 33 H PHE 5 HN PHE 5 3.376 -17.357 -4.135 34 HA PHE 5 HA PHE 5 2.273 -15.094 -2.704 35 1HB PHE 5 HB2 PHE 5 4.525 -15.507 -1.712 36 2HB PHE 5 HB1 PHE 5 5.245 -15.240 -3.302 37 HD1 PHE 5 HD1 PHE 5 2.876 -13.542 -0.944 38 HD2 PHE 5 HD2 PHE 5 6.096 -13.138 -3.692 39 HE1 PHE 5 HE1 PHE 5 2.978 -11.129 -0.470 40 HE2 PHE 5 HE2 PHE 5 6.205 -10.721 -3.212 41 HZ PHE 5 HZ PHE 5 4.643 -9.728 -1.600 42 H ASP 6 HN ASP 6 1.626 -13.572 -4.081 43 HA ASP 6 HA ASP 6 1.810 -14.028 -6.902 44 1HB ASP 6 HB2 ASP 6 -0.139 -12.964 -5.551 45 2HB ASP 6 HB1 ASP 6 0.797 -11.470 -5.663 46 H ARG 7 HN ARG 7 2.222 -11.739 -8.199 47 HA ARG 7 HA ARG 7 5.011 -11.219 -7.840 48 1HB ARG 7 HB2 ARG 7 3.835 -11.232 -10.081 49 2HB ARG 7 HB1 ARG 7 3.098 -9.699 -9.626 50 1HG ARG 7 HG2 ARG 7 5.045 -9.362 -11.054 51 2HG ARG 7 HG1 ARG 7 5.296 -8.667 -9.432 52 1HD ARG 7 HD2 ARG 7 6.452 -10.846 -8.843 53 2HD ARG 7 HD1 ARG 7 6.391 -11.238 -10.558 54 HE ARG 7 HE ARG 7 7.748 -9.224 -10.946 55 1HH1 ARG 7 HH11 ARG 7 7.711 -10.655 -7.746 56 2HH1 ARG 7 HH12 ARG 7 9.208 -9.914 -7.240 57 1HH2 ARG 7 HH21 ARG 7 9.691 -8.214 -10.307 58 2HH2 ARG 7 HH22 ARG 7 10.335 -8.547 -8.727 59 H ASP 8 HN ASP 8 1.999 -9.586 -7.192 60 HA ASP 8 HA ASP 8 3.250 -7.987 -5.146 61 1HB ASP 8 HB2 ASP 8 2.216 -5.851 -5.990 62 2HB ASP 8 HB1 ASP 8 3.566 -6.446 -6.953 63 H ASP 9 HN ASP 9 1.602 -6.841 -3.865 64 HA ASP 9 HA ASP 9 -1.018 -8.189 -3.997 65 1HB ASP 9 HB2 ASP 9 0.429 -8.607 -1.938 66 2HB ASP 9 HB1 ASP 9 0.234 -6.903 -1.559 67 H ILE 10 HN ILE 10 -2.491 -6.455 -2.383 68 HA ILE 10 HA ILE 10 -2.932 -4.283 -4.185 69 HB ILE 10 HB ILE 10 -4.819 -5.287 -3.048 70 1HG1 ILE 10 HG12 ILE 10 -5.918 -3.250 -2.158 71 2HG1 ILE 10 HG11 ILE 10 -4.344 -2.436 -2.154 72 1HG2 ILE 10 HG21 ILE 10 -3.749 -5.977 -1.005 73 2HG2 ILE 10 HG22 ILE 10 -5.165 -5.010 -0.650 74 3HG2 ILE 10 HG23 ILE 10 -3.565 -4.292 -0.505 75 1HD1 ILE 10 HD11 ILE 10 -5.833 -3.466 -4.575 76 2HD1 ILE 10 HD12 ILE 10 -4.227 -2.695 -4.587 77 3HD1 ILE 10 HD13 ILE 10 -5.648 -1.775 -4.068 78 H GLN 11 HN GLN 11 -2.471 -2.081 -3.855 79 HA GLN 11 HA GLN 11 -0.302 -1.639 -1.912 80 1HB GLN 11 HB2 GLN 11 -0.782 -0.446 -4.633 81 2HB GLN 11 HB1 GLN 11 0.376 0.236 -3.488 82 1HG GLN 11 HG2 GLN 11 1.568 -1.889 -3.443 83 2HG GLN 11 HG1 GLN 11 0.437 -2.552 -4.624 84 1HE2 GLN 11 HE21 GLN 11 2.100 -2.937 -6.076 85 2HE2 GLN 11 HE22 GLN 11 2.883 -1.658 -6.937 86 H PHE 12 HN PHE 12 -0.334 0.113 -0.601 87 HA PHE 12 HA PHE 12 -2.685 1.868 -0.759 88 1HB PHE 12 HB2 PHE 12 -1.658 0.467 1.737 89 2HB PHE 12 HB1 PHE 12 -2.860 1.755 1.734 90 HD1 PHE 12 HD1 PHE 12 -2.341 -1.750 1.582 91 HD2 PHE 12 HD2 PHE 12 -5.019 1.335 0.419 92 HE1 PHE 12 HE1 PHE 12 -4.127 -3.406 1.336 93 HE2 PHE 12 HE2 PHE 12 -6.821 -0.310 0.182 94 HZ PHE 12 HZ PHE 12 -6.374 -2.684 0.632 95 H GLN 13 HN GLN 13 -2.408 3.551 1.028 96 HA GLN 13 HA GLN 13 0.364 4.258 1.598 97 1HB GLN 13 HB2 GLN 13 0.008 6.610 1.068 98 2HB GLN 13 HB1 GLN 13 -0.254 5.610 -0.362 99 1HG GLN 13 HG2 GLN 13 -2.676 5.780 -0.055 100 2HG GLN 13 HG1 GLN 13 -2.409 6.758 1.386 101 1HE2 GLN 13 HE21 GLN 13 -1.685 8.899 1.159 102 2HE2 GLN 13 HE22 GLN 13 -1.744 9.723 -0.365 103 H VAL 14 HN VAL 14 0.548 5.420 3.605 104 HA VAL 14 HA VAL 14 -1.785 4.970 5.294 105 HB VAL 14 HB VAL 14 0.956 5.920 6.088 106 1HG1 VAL 14 HG11 VAL 14 0.267 5.269 8.355 107 2HG1 VAL 14 HG12 VAL 14 -1.306 4.783 7.744 108 3HG1 VAL 14 HG13 VAL 14 -0.843 6.468 7.696 109 1HG2 VAL 14 HG21 VAL 14 1.072 3.691 5.084 110 2HG2 VAL 14 HG22 VAL 14 -0.178 3.123 6.183 111 3HG2 VAL 14 HG23 VAL 14 1.382 3.624 6.824 112 H VAL 15 HN VAL 15 -3.159 6.576 5.768 113 HA VAL 15 HA VAL 15 -2.249 9.324 5.235 114 HB VAL 15 HB VAL 15 -4.630 9.865 4.786 115 1HG1 VAL 15 HG11 VAL 15 -3.420 7.721 3.041 116 2HG1 VAL 15 HG12 VAL 15 -3.016 9.436 2.990 117 3HG1 VAL 15 HG13 VAL 15 -4.638 8.895 2.541 118 1HG2 VAL 15 HG21 VAL 15 -4.986 6.869 4.853 119 2HG2 VAL 15 HG22 VAL 15 -6.209 8.043 4.321 120 3HG2 VAL 15 HG23 VAL 15 -5.662 8.024 6.012 121 H VAL 16 HN VAL 16 -2.885 10.956 6.639 122 HA VAL 16 HA VAL 16 -4.096 10.082 9.152 123 HB VAL 16 HB VAL 16 -1.703 10.353 9.517 124 1HG1 VAL 16 HG11 VAL 16 -0.631 12.559 9.262 125 2HG1 VAL 16 HG12 VAL 16 -2.099 13.163 8.492 126 3HG1 VAL 16 HG13 VAL 16 -1.162 11.884 7.719 127 1HG2 VAL 16 HG21 VAL 16 -3.291 12.616 10.751 128 2HG2 VAL 16 HG22 VAL 16 -1.751 11.995 11.324 129 3HG2 VAL 16 HG23 VAL 16 -3.172 10.962 11.356 130 H ASN 17 HN ASN 17 -5.621 11.376 10.001 131 HA ASN 17 HA ASN 17 -6.368 13.778 8.490 132 1HB ASN 17 HB2 ASN 17 -8.110 12.061 8.861 133 2HB ASN 17 HB1 ASN 17 -7.881 12.195 10.587 134 1HD2 ASN 17 HD21 ASN 17 -10.062 12.673 10.846 135 2HD2 ASN 17 HD22 ASN 17 -10.713 14.222 10.425 136 H HIS 18 HN HIS 18 -7.457 15.472 10.197 137 HA HIS 18 HA HIS 18 -5.091 16.538 11.411 138 1HB HIS 18 HB2 HIS 18 -7.940 17.554 11.429 139 2HB HIS 18 HB1 HIS 18 -6.550 18.455 12.030 140 HD1 HIS 18 HD1 HIS 18 -5.089 19.641 10.315 141 HD2 HIS 18 HD2 HIS 18 -8.022 17.242 8.589 142 HE1 HIS 18 HE1 HIS 18 -5.051 20.157 7.847 143 HE2 HIS 18 HE2 HIS 18 -6.677 18.520 6.817 144 H GLU 19 HN GLU 19 -7.209 14.286 12.563 145 HA GLU 19 HA GLU 19 -6.881 15.134 15.358 146 1HB GLU 19 HB2 GLU 19 -9.167 14.524 14.558 147 2HB GLU 19 HB1 GLU 19 -8.592 12.900 14.253 148 1HG GLU 19 HG2 GLU 19 -8.160 12.572 16.589 149 2HG GLU 19 HG1 GLU 19 -8.633 14.247 16.949 150 H GLU 20 HN GLU 20 -5.094 13.806 13.251 151 HA GLU 20 HA GLU 20 -3.314 12.473 13.144 152 1HB GLU 20 HB2 GLU 20 -1.923 12.295 15.041 153 2HB GLU 20 HB1 GLU 20 -2.809 13.801 15.239 154 1HG GLU 20 HG2 GLU 20 -4.268 12.723 16.842 155 2HG GLU 20 HG1 GLU 20 -3.398 11.214 16.644 156 H GLN 21 HN GLN 21 -5.888 11.161 13.085 157 HA GLN 21 HA GLN 21 -5.127 8.557 14.172 158 1HB GLN 21 HB2 GLN 21 -7.323 7.741 13.498 159 2HB GLN 21 HB1 GLN 21 -7.479 9.163 14.524 160 1HG GLN 21 HG2 GLN 21 -7.520 9.425 11.551 161 2HG GLN 21 HG1 GLN 21 -8.958 8.901 12.426 162 1HE2 GLN 21 HE21 GLN 21 -10.040 10.362 13.720 163 2HE2 GLN 21 HE22 GLN 21 -9.729 12.066 13.674 164 H TYR 22 HN TYR 22 -4.704 6.815 12.824 165 HA TYR 22 HA TYR 22 -3.961 7.667 10.108 166 1HB TYR 22 HB2 TYR 22 -2.715 5.533 11.867 167 2HB TYR 22 HB1 TYR 22 -2.229 5.886 10.204 168 HD1 TYR 22 HD1 TYR 22 -2.228 7.123 13.669 169 HD2 TYR 22 HD2 TYR 22 -0.993 7.884 9.672 170 HE1 TYR 22 HE1 TYR 22 -0.739 8.910 14.476 171 HE2 TYR 22 HE2 TYR 22 0.514 9.657 10.468 172 HH TYR 22 HH TYR 22 1.300 10.107 13.724 173 H SER 23 HN SER 23 -4.332 6.371 8.387 174 HA SER 23 HA SER 23 -5.707 3.833 8.681 175 1HB SER 23 HB2 SER 23 -7.008 6.121 7.192 176 2HB SER 23 HB1 SER 23 -7.619 4.466 7.301 177 HG SER 23 HG SER 23 -7.131 5.487 9.752 178 H ILE 24 HN ILE 24 -6.289 3.088 6.237 179 HA ILE 24 HA ILE 24 -3.911 3.759 4.646 180 HB ILE 24 HB ILE 24 -3.975 1.486 3.719 181 1HG1 ILE 24 HG12 ILE 24 -6.072 0.947 5.853 182 2HG1 ILE 24 HG11 ILE 24 -6.390 1.037 4.119 183 1HG2 ILE 24 HG21 ILE 24 -2.496 1.990 5.606 184 2HG2 ILE 24 HG22 ILE 24 -3.096 0.331 5.688 185 3HG2 ILE 24 HG23 ILE 24 -3.790 1.571 6.731 186 1HD1 ILE 24 HD11 ILE 24 -4.879 -0.878 3.770 187 2HD1 ILE 24 HD12 ILE 24 -6.263 -1.265 4.787 188 3HD1 ILE 24 HD13 ILE 24 -4.667 -1.006 5.518 189 H TRP 25 HN TRP 25 -4.165 4.170 2.532 190 HA TRP 25 HA TRP 25 -6.862 3.880 1.357 191 1HB TRP 25 HB2 TRP 25 -6.569 6.214 2.149 192 2HB TRP 25 HB1 TRP 25 -5.105 6.354 1.171 193 HD1 TRP 25 HD1 TRP 25 -5.375 6.909 -1.363 194 HE1 TRP 25 HE1 TRP 25 -7.389 7.483 -2.848 195 HE3 TRP 25 HE3 TRP 25 -9.146 5.619 1.842 196 HZ2 TRP 25 HZ2 TRP 25 -10.206 7.429 -2.677 197 HZ3 TRP 25 HZ3 TRP 25 -11.460 5.933 1.122 198 HH2 TRP 25 HH2 TRP 25 -11.994 6.809 -1.105 199 HA PRO 26 HA PRO 26 -4.488 1.952 -1.885 200 1HB PRO 26 HB2 PRO 26 -6.730 2.924 -3.594 201 2HB PRO 26 HB1 PRO 26 -6.083 1.286 -3.441 202 1HG PRO 26 HG2 PRO 26 -8.403 1.930 -2.324 203 2HG PRO 26 HG1 PRO 26 -7.253 0.873 -1.469 204 1HD PRO 26 HD2 PRO 26 -7.862 3.769 -1.018 205 2HD PRO 26 HD1 PRO 26 -7.522 2.487 0.163 206 H GLU 27 HN GLU 27 -2.746 2.995 -2.535 207 HA GLU 27 HA GLU 27 -2.403 5.654 -3.092 208 1HB GLU 27 HB2 GLU 27 -0.584 4.107 -2.625 209 2HB GLU 27 HB1 GLU 27 -0.870 3.260 -4.154 210 1HG GLU 27 HG2 GLU 27 1.010 4.607 -4.507 211 2HG GLU 27 HG1 GLU 27 -0.329 5.433 -5.311 212 H TYR 28 HN TYR 28 -3.586 3.167 -5.182 213 HA TYR 28 HA TYR 28 -3.216 4.246 -7.709 214 1HB TYR 28 HB2 TYR 28 -5.710 2.778 -6.815 215 2HB TYR 28 HB1 TYR 28 -5.019 2.830 -8.428 216 HD1 TYR 28 HD1 TYR 28 -3.298 1.324 -9.082 217 HD2 TYR 28 HD2 TYR 28 -4.635 1.436 -5.052 218 HE1 TYR 28 HE1 TYR 28 -2.049 -0.759 -8.609 219 HE2 TYR 28 HE2 TYR 28 -3.424 -0.644 -4.585 220 HH TYR 28 HH TYR 28 -1.142 -1.989 -6.762 221 H LYS 29 HN LYS 29 -5.718 4.831 -5.304 222 HA LYS 29 HA LYS 29 -6.996 6.805 -7.060 223 1HB LYS 29 HB2 LYS 29 -7.865 5.351 -4.576 224 2HB LYS 29 HB1 LYS 29 -8.742 6.754 -5.178 225 1HG LYS 29 HG2 LYS 29 -9.289 5.623 -7.209 226 2HG LYS 29 HG1 LYS 29 -8.188 4.295 -6.830 227 1HD LYS 29 HD2 LYS 29 -10.479 4.968 -5.002 228 2HD LYS 29 HD1 LYS 29 -10.734 3.968 -6.436 229 1HE LYS 29 HE2 LYS 29 -8.581 3.330 -4.431 230 2HE LYS 29 HE1 LYS 29 -10.252 2.799 -4.227 231 1HZ LYS 29 HZ1 LYS 29 -10.143 1.521 -6.188 232 2HZ LYS 29 HZ2 LYS 29 -8.687 1.198 -5.378 233 3HZ LYS 29 HZ3 LYS 29 -8.708 2.254 -6.707 234 H GLU 30 HN GLU 30 -7.715 8.864 -5.984 235 HA GLU 30 HA GLU 30 -5.490 9.944 -4.463 236 1HB GLU 30 HB2 GLU 30 -6.384 11.201 -6.431 237 2HB GLU 30 HB1 GLU 30 -7.932 11.341 -5.602 238 1HG GLU 30 HG2 GLU 30 -7.044 12.757 -3.947 239 2HG GLU 30 HG1 GLU 30 -5.392 12.413 -4.425 240 H ILE 31 HN ILE 31 -5.591 10.682 -2.444 241 HA ILE 31 HA ILE 31 -7.343 9.410 -0.685 242 HB ILE 31 HB ILE 31 -6.318 10.968 1.035 243 1HG1 ILE 31 HG12 ILE 31 -4.704 11.898 -1.356 244 2HG1 ILE 31 HG11 ILE 31 -5.944 12.842 -0.530 245 1HG2 ILE 31 HG21 ILE 31 -5.408 8.773 0.521 246 2HG2 ILE 31 HG22 ILE 31 -4.108 9.930 0.861 247 3HG2 ILE 31 HG23 ILE 31 -4.467 9.453 -0.794 248 1HD1 ILE 31 HD11 ILE 31 -3.706 13.493 0.164 249 2HD1 ILE 31 HD12 ILE 31 -3.377 11.837 0.677 250 3HD1 ILE 31 HD13 ILE 31 -4.612 12.793 1.515 251 HA PRO 32 HA PRO 32 -10.805 12.103 -0.202 252 1HB PRO 32 HB2 PRO 32 -10.706 11.667 2.692 253 2HB PRO 32 HB1 PRO 32 -11.952 11.205 1.524 254 1HG PRO 32 HG2 PRO 32 -10.329 9.384 2.702 255 2HG PRO 32 HG1 PRO 32 -10.939 9.197 1.039 256 1HD PRO 32 HD2 PRO 32 -8.254 10.099 1.990 257 2HD PRO 32 HD1 PRO 32 -8.675 9.037 0.626 258 H GLN 33 HN GLN 33 -11.354 14.123 0.421 259 HA GLN 33 HA GLN 33 -9.600 16.124 0.475 260 1HB GLN 33 HB2 GLN 33 -12.254 16.114 1.925 261 2HB GLN 33 HB1 GLN 33 -11.367 17.534 1.391 262 1HG GLN 33 HG2 GLN 33 -11.630 16.876 -0.920 263 2HG GLN 33 HG1 GLN 33 -12.446 15.398 -0.417 264 1HE2 GLN 33 HE21 GLN 33 -12.746 18.842 -0.781 265 2HE2 GLN 33 HE22 GLN 33 -14.464 18.924 -0.563 266 H GLY 34 HN GLY 34 -10.923 14.623 3.442 267 1HA GLY 34 HA2 GLY 34 -9.505 16.529 5.082 268 2HA GLY 34 HA1 GLY 34 -10.541 15.246 5.656 269 H TRP 35 HN TRP 35 -8.477 13.763 3.593 270 HA TRP 35 HA TRP 35 -6.713 13.039 5.828 271 1HB TRP 35 HB2 TRP 35 -7.604 11.411 3.440 272 2HB TRP 35 HB1 TRP 35 -6.354 10.893 4.585 273 HD1 TRP 35 HD1 TRP 35 -10.133 11.514 4.365 274 HE1 TRP 35 HE1 TRP 35 -11.262 10.308 6.321 275 HE3 TRP 35 HE3 TRP 35 -5.966 10.046 6.935 276 HZ2 TRP 35 HZ2 TRP 35 -10.513 8.919 8.637 277 HZ3 TRP 35 HZ3 TRP 35 -6.261 8.785 9.029 278 HH2 TRP 35 HH2 TRP 35 -8.498 8.240 9.881 279 H ARG 36 HN ARG 36 -4.493 12.487 5.296 280 HA ARG 36 HA ARG 36 -3.447 13.601 2.807 281 1HB ARG 36 HB2 ARG 36 -3.583 15.434 4.519 282 2HB ARG 36 HB1 ARG 36 -2.474 14.509 5.534 283 1HG ARG 36 HG2 ARG 36 -0.705 14.773 3.920 284 2HG ARG 36 HG1 ARG 36 -1.841 15.441 2.737 285 1HD ARG 36 HD2 ARG 36 -1.110 16.664 5.401 286 2HD ARG 36 HD1 ARG 36 -0.514 17.185 3.830 287 HE ARG 36 HE ARG 36 -3.320 17.231 3.759 288 1HH1 ARG 36 HH11 ARG 36 -0.679 18.958 5.296 289 2HH1 ARG 36 HH12 ARG 36 -1.603 20.409 5.522 290 1HH2 ARG 36 HH21 ARG 36 -4.533 19.129 4.081 291 2HH2 ARG 36 HH22 ARG 36 -3.792 20.512 4.856 292 H ALA 37 HN ALA 37 -1.145 12.976 2.512 293 HA ALA 37 HA ALA 37 -0.851 10.261 3.316 294 1HB ALA 37 HB1 ALA 37 -0.184 10.951 1.071 295 2HB ALA 37 HB2 ALA 37 1.179 10.261 1.944 296 3HB ALA 37 HB3 ALA 37 1.041 12.010 1.757 297 H ALA 38 HN ALA 38 0.281 9.464 4.989 298 HA ALA 38 HA ALA 38 1.511 11.235 6.865 299 1HB ALA 38 HB1 ALA 38 0.352 9.180 7.566 300 2HB ALA 38 HB2 ALA 38 2.011 9.250 8.162 301 3HB ALA 38 HB3 ALA 38 1.621 8.214 6.794 302 H GLY 39 HN GLY 39 2.643 9.152 4.295 303 1HA GLY 39 HA2 GLY 39 4.857 10.334 3.519 304 2HA GLY 39 HA1 GLY 39 5.431 9.663 5.035 305 H LYS 40 HN LYS 40 4.904 7.270 5.296 306 HA LYS 40 HA LYS 40 6.247 5.928 3.158 307 1HB LYS 40 HB2 LYS 40 4.897 4.806 5.624 308 2HB LYS 40 HB1 LYS 40 5.938 3.899 4.543 309 1HG LYS 40 HG2 LYS 40 7.801 5.359 5.098 310 2HG LYS 40 HG1 LYS 40 6.764 6.278 6.175 311 1HD LYS 40 HD2 LYS 40 6.379 4.238 7.502 312 2HD LYS 40 HD1 LYS 40 7.514 3.374 6.469 313 1HE LYS 40 HE2 LYS 40 9.304 4.890 7.152 314 2HE LYS 40 HE1 LYS 40 8.166 5.818 8.125 315 1HZ LYS 40 HZ1 LYS 40 7.812 3.895 9.507 316 2HZ LYS 40 HZ2 LYS 40 9.461 4.270 9.454 317 3HZ LYS 40 HZ3 LYS 40 8.858 2.966 8.562 318 H SER 41 HN SER 41 5.445 5.195 1.413 319 HA SER 41 HA SER 41 2.624 4.300 1.321 320 1HB SER 41 HB2 SER 41 3.121 6.184 -0.216 321 2HB SER 41 HB1 SER 41 4.387 5.221 -0.965 322 HG SER 41 HG SER 41 1.860 5.305 -1.633 323 H GLY 42 HN GLY 42 2.184 2.260 0.491 324 1HA GLY 42 HA2 GLY 42 3.914 0.659 -0.971 325 2HA GLY 42 HA1 GLY 42 4.217 0.294 0.731 326 H LEU 43 HN LEU 43 3.384 -1.786 -0.555 327 HA LEU 43 HA LEU 43 0.583 -2.062 -0.922 328 1HB LEU 43 HB2 LEU 43 0.963 -4.368 -1.229 329 2HB LEU 43 HB1 LEU 43 2.317 -3.525 -1.951 330 HG LEU 43 HG LEU 43 2.419 -4.906 0.749 331 1HD1 LEU 43 HD11 LEU 43 3.384 -5.824 -1.951 332 2HD1 LEU 43 HD12 LEU 43 2.006 -6.481 -1.071 333 3HD1 LEU 43 HD13 LEU 43 3.630 -6.657 -0.415 334 1HD2 LEU 43 HD21 LEU 43 4.571 -3.759 -1.039 335 2HD2 LEU 43 HD22 LEU 43 4.864 -4.739 0.392 336 3HD2 LEU 43 HD23 LEU 43 4.083 -3.164 0.547 337 H LYS 44 HN LYS 44 -0.554 -3.985 0.329 338 HA LYS 44 HA LYS 44 -1.436 -3.043 2.699 339 1HB LYS 44 HB2 LYS 44 -2.539 -4.790 1.469 340 2HB LYS 44 HB1 LYS 44 -1.219 -5.908 1.801 341 1HG LYS 44 HG2 LYS 44 -1.829 -5.522 4.281 342 2HG LYS 44 HG1 LYS 44 -3.353 -4.904 3.622 343 1HD LYS 44 HD2 LYS 44 -2.165 -7.642 3.102 344 2HD LYS 44 HD1 LYS 44 -3.523 -7.282 4.159 345 1HE LYS 44 HE2 LYS 44 -4.953 -6.799 2.406 346 2HE LYS 44 HE1 LYS 44 -3.626 -6.450 1.292 347 1HZ LYS 44 HZ1 LYS 44 -3.098 -8.779 1.235 348 2HZ LYS 44 HZ2 LYS 44 -4.711 -8.559 0.774 349 3HZ LYS 44 HZ3 LYS 44 -4.334 -9.142 2.338 350 H LYS 45 HN LYS 45 0.934 -5.675 2.378 351 HA LYS 45 HA LYS 45 1.461 -6.103 5.056 352 1HB LYS 45 HB2 LYS 45 2.237 -7.506 3.163 353 2HB LYS 45 HB1 LYS 45 3.449 -6.292 2.788 354 1HG LYS 45 HG2 LYS 45 3.418 -7.511 5.507 355 2HG LYS 45 HG1 LYS 45 4.075 -8.430 4.140 356 1HD LYS 45 HD2 LYS 45 4.986 -5.672 5.044 357 2HD LYS 45 HD1 LYS 45 5.841 -7.190 5.304 358 1HE LYS 45 HE2 LYS 45 5.995 -7.501 2.852 359 2HE LYS 45 HE1 LYS 45 5.216 -5.926 2.648 360 1HZ LYS 45 HZ1 LYS 45 7.103 -4.959 3.917 361 2HZ LYS 45 HZ2 LYS 45 7.578 -5.647 2.438 362 3HZ LYS 45 HZ3 LYS 45 7.859 -6.475 3.903 363 H ASP 46 HN ASP 46 2.905 -3.733 2.901 364 HA ASP 46 HA ASP 46 4.928 -2.848 4.636 365 1HB ASP 46 HB2 ASP 46 4.816 -2.472 2.140 366 2HB ASP 46 HB1 ASP 46 3.618 -1.230 2.471 367 H CYS 47 HN CYS 47 1.632 -1.832 4.097 368 HA CYS 47 HA CYS 47 1.745 0.401 5.811 369 1HB CYS 47 HB2 CYS 47 -0.583 -1.192 4.729 370 2HB CYS 47 HB1 CYS 47 -0.746 0.339 5.593 371 HG CYS 47 HG CYS 47 0.867 -0.074 2.600 372 H LEU 48 HN LEU 48 0.709 -2.960 6.209 373 HA LEU 48 HA LEU 48 -0.276 -2.746 8.815 374 1HB LEU 48 HB2 LEU 48 1.144 -5.103 7.583 375 2HB LEU 48 HB1 LEU 48 0.085 -5.147 8.981 376 HG LEU 48 HG LEU 48 -0.727 -4.540 6.152 377 1HD1 LEU 48 HD11 LEU 48 -1.394 -6.847 7.990 378 2HD1 LEU 48 HD12 LEU 48 -0.326 -6.901 6.585 379 3HD1 LEU 48 HD13 LEU 48 -2.058 -6.596 6.365 380 1HD2 LEU 48 HD21 LEU 48 -2.413 -4.605 8.652 381 2HD2 LEU 48 HD22 LEU 48 -3.002 -4.374 7.009 382 3HD2 LEU 48 HD23 LEU 48 -1.975 -3.154 7.741 383 H ALA 49 HN ALA 49 2.959 -3.429 7.601 384 HA ALA 49 HA ALA 49 4.300 -3.673 10.035 385 1HB ALA 49 HB1 ALA 49 5.351 -2.557 7.437 386 2HB ALA 49 HB2 ALA 49 5.309 -4.258 7.893 387 3HB ALA 49 HB3 ALA 49 6.338 -3.131 8.776 388 H TYR 50 HN TYR 50 3.588 -0.807 8.093 389 HA TYR 50 HA TYR 50 4.857 1.144 9.569 390 1HB TYR 50 HB2 TYR 50 3.747 1.513 7.381 391 2HB TYR 50 HB1 TYR 50 2.189 1.364 8.183 392 HD1 TYR 50 HD1 TYR 50 5.066 3.491 7.577 393 HD2 TYR 50 HD2 TYR 50 1.402 3.146 9.719 394 HE1 TYR 50 HE1 TYR 50 5.125 5.902 8.061 395 HE2 TYR 50 HE2 TYR 50 1.440 5.548 10.212 396 HH TYR 50 HH TYR 50 3.209 7.372 10.346 397 H ILE 51 HN ILE 51 1.580 -0.142 10.007 398 HA ILE 51 HA ILE 51 0.831 1.626 12.087 399 HB ILE 51 HB ILE 51 -0.229 -1.200 11.770 400 1HG1 ILE 51 HG12 ILE 51 -0.312 -0.276 9.575 401 2HG1 ILE 51 HG11 ILE 51 -1.946 -0.225 10.238 402 1HG2 ILE 51 HG21 ILE 51 -0.972 -0.024 13.748 403 2HG2 ILE 51 HG22 ILE 51 -2.310 -0.182 12.601 404 3HG2 ILE 51 HG23 ILE 51 -1.475 1.358 12.773 405 1HD1 ILE 51 HD11 ILE 51 -0.027 2.088 10.062 406 2HD1 ILE 51 HD12 ILE 51 -1.675 2.145 10.699 407 3HD1 ILE 51 HD13 ILE 51 -1.391 1.791 8.981 408 H GLU 52 HN GLU 52 2.499 -1.421 12.047 409 HA GLU 52 HA GLU 52 2.449 -2.042 14.755 410 1HB GLU 52 HB2 GLU 52 3.323 -3.375 12.705 411 2HB GLU 52 HB1 GLU 52 4.848 -2.586 13.051 412 1HG GLU 52 HG2 GLU 52 4.822 -4.768 14.060 413 2HG GLU 52 HG1 GLU 52 4.798 -3.524 15.311 414 H GLU 53 HN GLU 53 4.634 0.023 12.934 415 HA GLU 53 HA GLU 53 6.707 0.400 14.628 416 1HB GLU 53 HB2 GLU 53 5.458 2.589 12.969 417 2HB GLU 53 HB1 GLU 53 7.091 2.598 13.627 418 1HG GLU 53 HG2 GLU 53 6.026 0.608 11.620 419 2HG GLU 53 HG1 GLU 53 7.046 2.007 11.250 420 H VAL 54 HN VAL 54 4.246 3.148 16.442 421 HA VAL 54 HA VAL 54 3.793 2.253 13.688 422 HB VAL 54 HB VAL 54 1.761 2.095 14.883 423 1HG1 VAL 54 HG11 VAL 54 2.274 4.883 15.935 424 2HG1 VAL 54 HG12 VAL 54 2.340 3.378 16.858 425 3HG1 VAL 54 HG13 VAL 54 0.802 3.947 16.205 426 1HG2 VAL 54 HG21 VAL 54 1.691 4.744 13.441 427 2HG2 VAL 54 HG22 VAL 54 0.304 3.701 13.787 428 3HG2 VAL 54 HG23 VAL 54 1.560 3.160 12.667 429 H TRP 55 HN TRP 55 4.348 5.108 15.650 430 HA TRP 55 HA TRP 55 4.877 6.631 13.187 431 1HB TRP 55 HB2 TRP 55 2.834 7.423 14.332 432 2HB TRP 55 HB1 TRP 55 3.749 7.625 15.824 433 HD1 TRP 55 HD1 TRP 55 4.565 9.997 16.243 434 HE1 TRP 55 HE1 TRP 55 4.975 12.125 14.846 435 HE3 TRP 55 HE3 TRP 55 3.520 8.094 11.633 436 HZ2 TRP 55 HZ2 TRP 55 4.848 12.870 12.136 437 HZ3 TRP 55 HZ3 TRP 55 3.677 9.587 9.666 438 HH2 TRP 55 HH2 TRP 55 4.323 11.942 9.925 439 H THR 56 HN THR 56 6.462 4.937 15.148 440 HA THR 56 HA THR 56 8.617 6.833 15.567 441 HB THR 56 HB THR 56 7.294 6.813 17.718 442 HG1 THR 56 HG1 THR 56 9.265 7.321 18.289 443 1HG2 THR 56 HG21 THR 56 8.176 3.914 17.758 444 2HG2 THR 56 HG22 THR 56 6.525 4.530 17.722 445 3HG2 THR 56 HG23 THR 56 7.522 4.795 19.146 446 H ASP 57 HN ASP 57 10.663 5.702 15.990 447 HA ASP 57 HA ASP 57 10.630 2.973 14.873 448 1HB ASP 57 HB2 ASP 57 11.875 4.439 13.422 449 2HB ASP 57 HB1 ASP 57 12.784 5.092 14.781 450 H MET 58 HN MET 58 10.792 1.491 16.340 451 HA MET 58 HA MET 58 12.552 1.957 18.672 452 1HB MET 58 HB2 MET 58 10.062 0.246 18.444 453 2HB MET 58 HB1 MET 58 11.152 0.217 19.825 454 1HG MET 58 HG2 MET 58 9.637 2.639 18.847 455 2HG MET 58 HG1 MET 58 9.174 1.623 20.212 456 1HE MET 58 HE1 MET 58 9.038 3.866 21.645 457 2HE MET 58 HE2 MET 58 9.621 4.843 20.289 458 3HE MET 58 HE3 MET 58 10.395 4.977 21.864 459 H ARG 59 HN ARG 59 14.233 0.608 18.936 460 HA ARG 59 HA ARG 59 14.878 -1.287 16.962 461 1HB ARG 59 HB2 ARG 59 16.633 -0.206 18.225 462 2HB ARG 59 HB1 ARG 59 16.042 -0.901 19.713 463 1HG ARG 59 HG2 ARG 59 17.994 -2.095 18.986 464 2HG ARG 59 HG1 ARG 59 16.577 -3.127 18.898 465 1HD ARG 59 HD2 ARG 59 17.746 -3.538 16.901 466 2HD ARG 59 HD1 ARG 59 16.420 -2.478 16.462 467 HE ARG 59 HE ARG 59 18.133 -0.634 16.587 468 1HH1 ARG 59 HH11 ARG 59 18.930 -3.928 15.745 469 2HH1 ARG 59 HH12 ARG 59 20.360 -3.499 14.852 470 1HH2 ARG 59 HH21 ARG 59 20.018 -0.036 15.408 471 2HH2 ARG 59 HH22 ARG 59 20.980 -1.281 14.666 472 HA PRO 60 HA PRO 60 13.433 -4.701 19.898 473 1HB PRO 60 HB2 PRO 60 12.280 -3.800 22.345 474 2HB PRO 60 HB1 PRO 60 13.865 -4.565 22.136 475 1HG PRO 60 HG2 PRO 60 13.403 -1.918 22.917 476 2HG PRO 60 HG1 PRO 60 14.941 -2.555 22.311 477 1HD PRO 60 HD2 PRO 60 12.822 -1.002 20.881 478 2HD PRO 60 HD1 PRO 60 14.584 -0.942 20.685 479 H LEU 61 HN LEU 61 11.952 -3.194 18.179 480 HA LEU 61 HA LEU 61 9.304 -2.684 18.870 481 1HB LEU 61 HB2 LEU 61 10.326 -1.967 16.804 482 2HB LEU 61 HB1 LEU 61 10.519 -3.627 16.297 483 HG LEU 61 HG LEU 61 8.027 -3.865 16.247 484 1HD1 LEU 61 HD11 LEU 61 7.536 -2.034 17.811 485 2HD1 LEU 61 HD12 LEU 61 6.686 -1.824 16.267 486 3HD1 LEU 61 HD13 LEU 61 8.132 -0.874 16.620 487 1HD2 LEU 61 HD21 LEU 61 9.259 -1.705 14.530 488 2HD2 LEU 61 HD22 LEU 61 7.816 -2.636 14.153 489 3HD2 LEU 61 HD23 LEU 61 9.376 -3.442 14.265 490 H SER 62 HN SER 62 10.557 -5.628 17.238 491 HA SER 62 HA SER 62 8.139 -7.027 17.577 492 1HB SER 62 HB2 SER 62 10.891 -8.155 17.017 493 2HB SER 62 HB1 SER 62 9.345 -8.923 16.636 494 HG SER 62 HG SER 62 10.555 -7.699 14.904 495 H LEU 63 HN LEU 63 10.886 -6.547 19.586 496 HA LEU 63 HA LEU 63 10.659 -8.787 21.279 497 1HB LEU 63 HB2 LEU 63 12.612 -7.286 21.263 498 2HB LEU 63 HB1 LEU 63 11.608 -5.996 21.905 499 HG LEU 63 HG LEU 63 11.261 -7.339 23.987 500 1HD1 LEU 63 HD11 LEU 63 12.759 -9.242 24.378 501 2HD1 LEU 63 HD12 LEU 63 13.350 -9.123 22.719 502 3HD1 LEU 63 HD13 LEU 63 11.660 -9.539 23.033 503 1HD2 LEU 63 HD21 LEU 63 12.980 -5.593 23.862 504 2HD2 LEU 63 HD22 LEU 63 14.147 -6.762 23.247 505 3HD2 LEU 63 HD23 LEU 63 13.499 -6.936 24.880 506 H ARG 64 HN ARG 64 9.297 -5.532 21.537 507 HA ARG 64 HA ARG 64 7.749 -6.302 23.869 508 1HB ARG 64 HB2 ARG 64 7.716 -3.721 22.289 509 2HB ARG 64 HB1 ARG 64 6.938 -3.987 23.841 510 1HG ARG 64 HG2 ARG 64 9.295 -4.571 24.680 511 2HG ARG 64 HG1 ARG 64 9.854 -3.740 23.222 512 1HD ARG 64 HD2 ARG 64 9.793 -2.188 25.057 513 2HD ARG 64 HD1 ARG 64 8.513 -1.767 23.917 514 HE ARG 64 HE ARG 64 7.708 -3.492 26.096 515 1HH1 ARG 64 HH11 ARG 64 8.042 -0.167 24.994 516 2HH1 ARG 64 HH12 ARG 64 6.840 0.447 26.098 517 1HH2 ARG 64 HH21 ARG 64 6.152 -2.690 27.551 518 2HH2 ARG 64 HH22 ARG 64 5.770 -0.990 27.556 519 H GLN 65 HN GLN 65 7.366 -6.344 20.495 520 HA GLN 65 HA GLN 65 5.656 -6.459 19.030 521 1HB GLN 65 HB2 GLN 65 3.910 -8.261 19.790 522 2HB GLN 65 HB1 GLN 65 5.555 -8.696 19.389 523 1HG GLN 65 HG2 GLN 65 5.517 -9.811 21.302 524 2HG GLN 65 HG1 GLN 65 5.739 -8.235 22.050 525 1HE2 GLN 65 HE21 GLN 65 4.029 -7.292 23.139 526 2HE2 GLN 65 HE22 GLN 65 2.577 -8.165 23.528 527 H HIS 66 HN HIS 66 4.687 -4.610 18.758 528 HA HIS 66 HA HIS 66 3.135 -3.232 20.654 529 1HB HIS 66 HB2 HIS 66 4.280 -2.208 18.668 530 2HB HIS 66 HB1 HIS 66 3.063 -2.937 17.631 531 HD1 HIS 66 HD1 HIS 66 3.851 0.174 19.122 532 HD2 HIS 66 HD2 HIS 66 0.312 -1.957 18.538 533 HE1 HIS 66 HE1 HIS 66 2.004 1.866 19.296 534 HE2 HIS 66 HE2 HIS 66 -0.136 0.528 19.118 535 H MET 67 HN MET 67 1.980 -4.663 17.585 536 HA MET 67 HA MET 67 -0.661 -4.993 18.868 537 1HB MET 67 HB2 MET 67 -0.550 -3.592 16.773 538 2HB MET 67 HB1 MET 67 0.015 -5.023 15.898 539 1HG MET 67 HG2 MET 67 -2.311 -4.761 15.496 540 2HG MET 67 HG1 MET 67 -2.086 -6.165 16.533 541 1HE MET 67 HE1 MET 67 -3.398 -2.536 16.208 542 2HE MET 67 HE2 MET 67 -2.089 -2.286 17.355 543 3HE MET 67 HE3 MET 67 -3.775 -2.059 17.862 544 H ASP 68 HN ASP 68 1.332 -6.574 16.396 545 HA ASP 68 HA ASP 68 1.920 -8.726 16.039 546 1HB ASP 68 HB2 ASP 68 2.465 -8.830 18.428 547 2HB ASP 68 HB1 ASP 68 0.808 -9.281 18.815 548 H LYS 69 HN LYS 69 1.112 -10.491 15.039 549 HA LYS 69 HA LYS 69 -0.365 -11.835 13.983 550 1HB LYS 69 HB2 LYS 69 -0.984 -12.302 16.424 551 2HB LYS 69 HB1 LYS 69 -2.346 -11.209 16.166 552 1HG LYS 69 HG2 LYS 69 -3.179 -12.655 14.389 553 2HG LYS 69 HG1 LYS 69 -1.813 -13.738 14.627 554 1HD LYS 69 HD2 LYS 69 -3.956 -13.106 16.647 555 2HD LYS 69 HD1 LYS 69 -3.811 -14.601 15.708 556 1HE LYS 69 HE2 LYS 69 -1.593 -14.968 16.766 557 2HE LYS 69 HE1 LYS 69 -1.845 -13.551 17.777 558 1HZ LYS 69 HZ1 LYS 69 -3.472 -16.034 17.776 559 2HZ LYS 69 HZ2 LYS 69 -3.846 -14.645 18.674 560 3HZ LYS 69 HZ3 LYS 69 -2.417 -15.510 18.991 561 H ALA 70 HN ALA 70 -0.259 -8.968 13.491 562 HA ALA 70 HA ALA 70 -1.180 -7.467 12.090 563 1HB ALA 70 HB1 ALA 70 -2.954 -8.110 10.559 564 2HB ALA 70 HB2 ALA 70 -3.295 -9.546 11.524 565 3HB ALA 70 HB3 ALA 70 -1.752 -9.390 10.677 566 H ALA 71 HN ALA 71 -4.214 -8.956 13.102 567 HA ALA 71 HA ALA 71 -6.022 -8.207 14.224 568 1HB ALA 71 HB1 ALA 71 -5.610 -6.996 16.319 569 2HB ALA 71 HB2 ALA 71 -3.942 -6.714 15.824 570 3HB ALA 71 HB3 ALA 71 -4.528 -8.357 16.119 571 H GLY 72 HN GLY 72 -4.891 -6.546 11.953 572 1HA GLY 72 HA2 GLY 72 -5.962 -3.917 12.652 573 2HA GLY 72 HA1 GLY 72 -5.012 -4.311 11.222 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -9.887 -7.445 -9.541 2 2H MET 1 HT2 MET 1 -10.931 -8.546 -10.289 3 3H MET 1 HT3 MET 1 -11.435 -6.948 -10.032 4 HA MET 1 HA MET 1 -10.891 -7.147 -12.307 5 1HB MET 1 HB2 MET 1 -8.565 -5.846 -10.891 6 2HB MET 1 HB1 MET 1 -9.074 -5.547 -12.536 7 1HG MET 1 HG2 MET 1 -9.859 -3.735 -11.310 8 2HG MET 1 HG1 MET 1 -11.270 -4.755 -11.555 9 1HE MET 1 HE1 MET 1 -11.849 -3.150 -8.023 10 2HE MET 1 HE2 MET 1 -12.344 -3.208 -9.722 11 3HE MET 1 HE3 MET 1 -10.864 -2.370 -9.266 12 H THR 2 HN THR 2 -8.021 -7.994 -10.347 13 HA THR 2 HA THR 2 -6.993 -9.483 -12.634 14 HB THR 2 HB THR 2 -4.917 -9.673 -11.220 15 HG1 THR 2 HG1 THR 2 -4.777 -8.508 -9.358 16 1HG2 THR 2 HG21 THR 2 -5.162 -7.975 -12.978 17 2HG2 THR 2 HG22 THR 2 -4.198 -7.389 -11.625 18 3HG2 THR 2 HG23 THR 2 -5.890 -6.877 -11.816 19 H SER 3 HN SER 3 -7.783 -11.489 -12.757 20 HA SER 3 HA SER 3 -7.517 -13.181 -10.384 21 1HB SER 3 HB2 SER 3 -9.751 -13.339 -12.422 22 2HB SER 3 HB1 SER 3 -9.520 -14.451 -11.072 23 HG SER 3 HG SER 3 -9.659 -12.504 -9.693 24 H VAL 4 HN VAL 4 -8.016 -13.338 -13.915 25 HA VAL 4 HA VAL 4 -6.694 -15.828 -14.214 26 HB VAL 4 HB VAL 4 -7.042 -13.668 -16.313 27 1HG1 VAL 4 HG11 VAL 4 -6.887 -15.516 -17.917 28 2HG1 VAL 4 HG12 VAL 4 -6.646 -16.649 -16.595 29 3HG1 VAL 4 HG13 VAL 4 -5.427 -15.424 -16.917 30 1HG2 VAL 4 HG21 VAL 4 -9.157 -14.228 -15.320 31 2HG2 VAL 4 HG22 VAL 4 -8.852 -15.944 -15.578 32 3HG2 VAL 4 HG23 VAL 4 -9.059 -14.862 -16.960 33 H PHE 5 HN PHE 5 -5.669 -12.491 -14.865 34 HA PHE 5 HA PHE 5 -2.877 -13.398 -14.644 35 1HB PHE 5 HB2 PHE 5 -2.242 -11.340 -15.821 36 2HB PHE 5 HB1 PHE 5 -3.438 -12.236 -16.750 37 HD1 PHE 5 HD1 PHE 5 -5.755 -11.438 -16.885 38 HD2 PHE 5 HD2 PHE 5 -2.691 -9.146 -15.000 39 HE1 PHE 5 HE1 PHE 5 -7.167 -9.425 -17.032 40 HE2 PHE 5 HE2 PHE 5 -4.084 -7.135 -15.152 41 HZ PHE 5 HZ PHE 5 -6.321 -7.262 -16.183 42 H ASP 6 HN ASP 6 -1.526 -12.406 -13.138 43 HA ASP 6 HA ASP 6 -2.925 -10.755 -11.129 44 1HB ASP 6 HB2 ASP 6 -2.032 -12.899 -10.301 45 2HB ASP 6 HB1 ASP 6 -0.415 -12.436 -10.830 46 H ARG 7 HN ARG 7 -2.287 -8.767 -10.742 47 HA ARG 7 HA ARG 7 -0.069 -7.677 -12.309 48 1HB ARG 7 HB2 ARG 7 -2.397 -6.622 -12.187 49 2HB ARG 7 HB1 ARG 7 -1.984 -6.180 -10.532 50 1HG ARG 7 HG2 ARG 7 -1.652 -4.318 -12.072 51 2HG ARG 7 HG1 ARG 7 -0.140 -4.816 -11.323 52 1HD ARG 7 HD2 ARG 7 0.740 -5.608 -13.273 53 2HD ARG 7 HD1 ARG 7 -0.840 -6.094 -13.905 54 HE ARG 7 HE ARG 7 -1.227 -3.752 -14.427 55 1HH1 ARG 7 HH11 ARG 7 2.069 -4.553 -13.600 56 2HH1 ARG 7 HH12 ARG 7 2.756 -3.308 -14.596 57 1HH2 ARG 7 HH21 ARG 7 -0.355 -2.100 -15.742 58 2HH2 ARG 7 HH22 ARG 7 1.383 -1.907 -15.804 59 H ASP 8 HN ASP 8 -1.202 -6.759 -9.122 60 HA ASP 8 HA ASP 8 1.270 -7.671 -7.851 61 1HB ASP 8 HB2 ASP 8 0.234 -4.832 -7.618 62 2HB ASP 8 HB1 ASP 8 1.484 -5.519 -6.594 63 H ASP 9 HN ASP 9 0.824 -6.780 -5.311 64 HA ASP 9 HA ASP 9 -1.755 -7.945 -4.650 65 1HB ASP 9 HB2 ASP 9 -1.061 -7.946 -2.358 66 2HB ASP 9 HB1 ASP 9 0.302 -8.540 -3.300 67 H ILE 10 HN ILE 10 -2.836 -6.630 -2.672 68 HA ILE 10 HA ILE 10 -3.746 -4.229 -3.908 69 HB ILE 10 HB ILE 10 -5.299 -5.521 -2.550 70 1HG1 ILE 10 HG12 ILE 10 -6.170 -3.711 -1.052 71 2HG1 ILE 10 HG11 ILE 10 -4.693 -2.791 -1.395 72 1HG2 ILE 10 HG21 ILE 10 -3.715 -6.424 -0.915 73 2HG2 ILE 10 HG22 ILE 10 -5.101 -5.671 -0.120 74 3HG2 ILE 10 HG23 ILE 10 -3.553 -4.830 -0.189 75 1HD1 ILE 10 HD11 ILE 10 -5.259 -2.692 -3.730 76 2HD1 ILE 10 HD12 ILE 10 -6.575 -2.045 -2.743 77 3HD1 ILE 10 HD13 ILE 10 -6.719 -3.655 -3.455 78 H GLN 11 HN GLN 11 -2.869 -2.255 -3.830 79 HA GLN 11 HA GLN 11 -0.535 -1.932 -2.086 80 1HB GLN 11 HB2 GLN 11 -1.391 -0.533 -4.621 81 2HB GLN 11 HB1 GLN 11 -0.120 0.094 -3.585 82 1HG GLN 11 HG2 GLN 11 1.104 -2.032 -3.819 83 2HG GLN 11 HG1 GLN 11 -0.150 -2.578 -4.958 84 1HE2 GLN 11 HE21 GLN 11 2.493 -0.400 -4.421 85 2HE2 GLN 11 HE22 GLN 11 2.736 0.066 -6.077 86 H PHE 12 HN PHE 12 -0.564 -0.638 -0.384 87 HA PHE 12 HA PHE 12 -2.761 1.282 -0.146 88 1HB PHE 12 HB2 PHE 12 -1.601 -0.597 1.883 89 2HB PHE 12 HB1 PHE 12 -2.438 0.886 2.380 90 HD1 PHE 12 HD1 PHE 12 -2.811 -2.524 1.689 91 HD2 PHE 12 HD2 PHE 12 -4.807 1.213 1.265 92 HE1 PHE 12 HE1 PHE 12 -4.952 -3.699 1.495 93 HE2 PHE 12 HE2 PHE 12 -6.967 0.043 1.087 94 HZ PHE 12 HZ PHE 12 -7.025 -2.409 1.201 95 H GLN 13 HN GLN 13 -2.408 3.063 1.202 96 HA GLN 13 HA GLN 13 0.364 3.707 1.877 97 1HB GLN 13 HB2 GLN 13 0.018 6.045 1.117 98 2HB GLN 13 HB1 GLN 13 -0.034 4.915 -0.227 99 1HG GLN 13 HG2 GLN 13 -2.494 4.986 -0.138 100 2HG GLN 13 HG1 GLN 13 -2.389 6.208 1.124 101 1HE2 GLN 13 HE21 GLN 13 -3.567 6.359 -1.547 102 2HE2 GLN 13 HE22 GLN 13 -2.768 7.682 -2.331 103 H VAL 14 HN VAL 14 0.498 5.068 3.727 104 HA VAL 14 HA VAL 14 -1.818 4.706 5.457 105 HB VAL 14 HB VAL 14 0.850 5.982 6.124 106 1HG1 VAL 14 HG11 VAL 14 -1.282 4.810 7.895 107 2HG1 VAL 14 HG12 VAL 14 -0.961 6.530 7.669 108 3HG1 VAL 14 HG13 VAL 14 0.252 5.489 8.427 109 1HG2 VAL 14 HG21 VAL 14 1.248 3.728 5.355 110 2HG2 VAL 14 HG22 VAL 14 0.004 3.116 6.453 111 3HG2 VAL 14 HG23 VAL 14 1.481 3.847 7.094 112 H VAL 15 HN VAL 15 -3.290 6.263 5.759 113 HA VAL 15 HA VAL 15 -2.439 9.001 5.202 114 HB VAL 15 HB VAL 15 -4.800 9.539 4.757 115 1HG1 VAL 15 HG11 VAL 15 -3.339 9.025 2.902 116 2HG1 VAL 15 HG12 VAL 15 -4.973 8.459 2.573 117 3HG1 VAL 15 HG13 VAL 15 -3.739 7.312 3.054 118 1HG2 VAL 15 HG21 VAL 15 -5.861 7.778 6.088 119 2HG2 VAL 15 HG22 VAL 15 -5.286 6.565 4.938 120 3HG2 VAL 15 HG23 VAL 15 -6.470 7.782 4.435 121 H VAL 16 HN VAL 16 -2.834 10.532 6.702 122 HA VAL 16 HA VAL 16 -4.021 9.579 9.229 123 HB VAL 16 HB VAL 16 -1.519 9.964 9.307 124 1HG1 VAL 16 HG11 VAL 16 -1.347 11.950 7.927 125 2HG1 VAL 16 HG12 VAL 16 -0.749 12.299 9.551 126 3HG1 VAL 16 HG13 VAL 16 -2.358 12.841 9.064 127 1HG2 VAL 16 HG21 VAL 16 -2.898 9.915 11.325 128 2HG2 VAL 16 HG22 VAL 16 -3.220 11.634 11.146 129 3HG2 VAL 16 HG23 VAL 16 -1.586 11.071 11.488 130 H ASN 17 HN ASN 17 -5.524 10.815 10.147 131 HA ASN 17 HA ASN 17 -6.549 13.070 8.648 132 1HB ASN 17 HB2 ASN 17 -8.016 11.325 9.715 133 2HB ASN 17 HB1 ASN 17 -7.484 11.878 11.280 134 1HD2 ASN 17 HD21 ASN 17 -9.479 12.544 8.530 135 2HD2 ASN 17 HD22 ASN 17 -10.351 13.874 9.214 136 H HIS 18 HN HIS 18 -7.219 15.081 10.062 137 HA HIS 18 HA HIS 18 -4.724 16.124 11.071 138 1HB HIS 18 HB2 HIS 18 -7.497 17.349 10.971 139 2HB HIS 18 HB1 HIS 18 -6.037 18.207 11.474 140 HD1 HIS 18 HD1 HIS 18 -4.081 18.231 9.548 141 HD2 HIS 18 HD2 HIS 18 -7.970 17.503 8.280 142 HE1 HIS 18 HE1 HIS 18 -4.083 18.662 7.072 143 HE2 HIS 18 HE2 HIS 18 -6.437 18.193 6.309 144 H GLU 19 HN GLU 19 -6.849 14.112 12.351 145 HA GLU 19 HA GLU 19 -6.681 15.111 15.108 146 1HB GLU 19 HB2 GLU 19 -8.191 12.772 13.930 147 2HB GLU 19 HB1 GLU 19 -8.243 13.258 15.631 148 1HG GLU 19 HG2 GLU 19 -9.266 15.364 14.975 149 2HG GLU 19 HG1 GLU 19 -9.215 14.876 13.280 150 H GLU 20 HN GLU 20 -4.757 13.687 13.076 151 HA GLU 20 HA GLU 20 -3.127 12.136 13.022 152 1HB GLU 20 HB2 GLU 20 -3.377 12.287 16.043 153 2HB GLU 20 HB1 GLU 20 -2.039 11.569 15.166 154 1HG GLU 20 HG2 GLU 20 -1.594 13.785 14.115 155 2HG GLU 20 HG1 GLU 20 -2.820 14.483 15.200 156 H GLN 21 HN GLN 21 -5.775 11.257 12.751 157 HA GLN 21 HA GLN 21 -5.842 8.625 14.018 158 1HB GLN 21 HB2 GLN 21 -7.959 9.796 13.958 159 2HB GLN 21 HB1 GLN 21 -7.788 10.091 12.226 160 1HG GLN 21 HG2 GLN 21 -7.962 7.689 11.824 161 2HG GLN 21 HG1 GLN 21 -8.128 7.400 13.541 162 1HE2 GLN 21 HE21 GLN 21 -9.573 10.126 11.935 163 2HE2 GLN 21 HE22 GLN 21 -11.211 9.604 12.102 164 H TYR 22 HN TYR 22 -5.300 6.798 12.889 165 HA TYR 22 HA TYR 22 -4.116 7.224 10.253 166 1HB TYR 22 HB2 TYR 22 -3.842 4.896 12.170 167 2HB TYR 22 HB1 TYR 22 -2.983 5.074 10.628 168 HD1 TYR 22 HD1 TYR 22 -1.215 6.747 10.373 169 HD2 TYR 22 HD2 TYR 22 -3.179 6.165 14.106 170 HE1 TYR 22 HE1 TYR 22 0.560 8.019 11.501 171 HE2 TYR 22 HE2 TYR 22 -1.401 7.436 15.247 172 HH TYR 22 HH TYR 22 0.941 9.255 13.535 173 H SER 23 HN SER 23 -4.879 6.314 8.450 174 HA SER 23 HA SER 23 -6.713 4.039 8.636 175 1HB SER 23 HB2 SER 23 -8.020 6.175 8.381 176 2HB SER 23 HB1 SER 23 -7.203 6.438 6.846 177 HG SER 23 HG SER 23 -9.006 4.381 7.572 178 H ILE 24 HN ILE 24 -6.968 3.018 6.382 179 HA ILE 24 HA ILE 24 -4.374 3.228 5.006 180 HB ILE 24 HB ILE 24 -4.544 0.864 4.416 181 1HG1 ILE 24 HG12 ILE 24 -7.099 0.852 6.052 182 2HG1 ILE 24 HG11 ILE 24 -7.005 0.687 4.296 183 1HG2 ILE 24 HG21 ILE 24 -3.464 1.467 6.530 184 2HG2 ILE 24 HG22 ILE 24 -4.248 -0.114 6.655 185 3HG2 ILE 24 HG23 ILE 24 -5.001 1.315 7.369 186 1HD1 ILE 24 HD11 ILE 24 -7.348 -1.453 5.358 187 2HD1 ILE 24 HD12 ILE 24 -5.868 -1.241 6.295 188 3HD1 ILE 24 HD13 ILE 24 -5.796 -1.399 4.545 189 H TRP 25 HN TRP 25 -4.418 3.666 2.906 190 HA TRP 25 HA TRP 25 -6.993 3.509 1.487 191 1HB TRP 25 HB2 TRP 25 -6.543 5.801 2.447 192 2HB TRP 25 HB1 TRP 25 -5.184 5.906 1.339 193 HD1 TRP 25 HD1 TRP 25 -5.704 6.906 -0.969 194 HE1 TRP 25 HE1 TRP 25 -7.848 7.452 -2.303 195 HE3 TRP 25 HE3 TRP 25 -9.166 4.795 2.137 196 HZ2 TRP 25 HZ2 TRP 25 -10.612 7.032 -2.066 197 HZ3 TRP 25 HZ3 TRP 25 -11.535 4.900 1.515 198 HH2 TRP 25 HH2 TRP 25 -12.249 5.995 -0.551 199 HA PRO 26 HA PRO 26 -4.526 1.559 -1.655 200 1HB PRO 26 HB2 PRO 26 -6.489 2.833 -3.501 201 2HB PRO 26 HB1 PRO 26 -5.967 1.140 -3.382 202 1HG PRO 26 HG2 PRO 26 -8.339 1.882 -2.451 203 2HG PRO 26 HG1 PRO 26 -7.345 0.694 -1.574 204 1HD PRO 26 HD2 PRO 26 -7.814 3.587 -0.960 205 2HD PRO 26 HD1 PRO 26 -7.655 2.195 0.148 206 H GLU 27 HN GLU 27 -2.857 2.157 -2.942 207 HA GLU 27 HA GLU 27 -1.946 4.821 -2.726 208 1HB GLU 27 HB2 GLU 27 -0.423 2.900 -2.692 209 2HB GLU 27 HB1 GLU 27 -0.855 2.528 -4.357 210 1HG GLU 27 HG2 GLU 27 0.097 4.659 -5.078 211 2HG GLU 27 HG1 GLU 27 0.557 5.028 -3.411 212 H TYR 28 HN TYR 28 -3.403 2.974 -5.304 213 HA TYR 28 HA TYR 28 -2.864 5.005 -7.285 214 1HB TYR 28 HB2 TYR 28 -4.799 3.359 -8.369 215 2HB TYR 28 HB1 TYR 28 -3.062 3.200 -8.571 216 HD1 TYR 28 HD1 TYR 28 -5.918 2.082 -6.457 217 HD2 TYR 28 HD2 TYR 28 -1.950 1.292 -7.773 218 HE1 TYR 28 HE1 TYR 28 -6.005 -0.131 -5.399 219 HE2 TYR 28 HE2 TYR 28 -2.045 -0.931 -6.722 220 HH TYR 28 HH TYR 28 -4.877 -2.337 -5.649 221 H LYS 29 HN LYS 29 -5.099 4.751 -4.842 222 HA LYS 29 HA LYS 29 -7.121 6.300 -6.260 223 1HB LYS 29 HB2 LYS 29 -7.132 5.012 -3.533 224 2HB LYS 29 HB1 LYS 29 -8.402 6.096 -4.094 225 1HG LYS 29 HG2 LYS 29 -8.824 4.575 -5.997 226 2HG LYS 29 HG1 LYS 29 -7.636 3.469 -5.333 227 1HD LYS 29 HD2 LYS 29 -8.939 3.203 -3.314 228 2HD LYS 29 HD1 LYS 29 -10.104 4.389 -3.877 229 1HE LYS 29 HE2 LYS 29 -9.489 1.820 -5.333 230 2HE LYS 29 HE1 LYS 29 -10.805 1.995 -4.158 231 1HZ LYS 29 HZ1 LYS 29 -11.490 2.278 -6.522 232 2HZ LYS 29 HZ2 LYS 29 -10.531 3.685 -6.592 233 3HZ LYS 29 HZ3 LYS 29 -11.846 3.599 -5.526 234 H GLU 30 HN GLU 30 -7.708 8.368 -5.661 235 HA GLU 30 HA GLU 30 -5.632 10.017 -4.575 236 1HB GLU 30 HB2 GLU 30 -7.018 10.873 -6.329 237 2HB GLU 30 HB1 GLU 30 -8.484 10.582 -5.400 238 1HG GLU 30 HG2 GLU 30 -7.612 12.234 -3.715 239 2HG GLU 30 HG1 GLU 30 -6.338 12.650 -4.886 240 H ILE 31 HN ILE 31 -5.417 10.779 -2.520 241 HA ILE 31 HA ILE 31 -6.871 9.572 -0.423 242 HB ILE 31 HB ILE 31 -5.189 12.089 -0.307 243 1HG1 ILE 31 HG12 ILE 31 -4.332 9.214 0.081 244 2HG1 ILE 31 HG11 ILE 31 -3.968 10.197 -1.338 245 1HG2 ILE 31 HG21 ILE 31 -4.831 11.463 2.027 246 2HG2 ILE 31 HG22 ILE 31 -5.939 10.108 1.832 247 3HG2 ILE 31 HG23 ILE 31 -6.539 11.761 1.694 248 1HD1 ILE 31 HD11 ILE 31 -2.060 10.112 0.123 249 2HD1 ILE 31 HD12 ILE 31 -3.033 10.698 1.469 250 3HD1 ILE 31 HD13 ILE 31 -2.726 11.750 0.089 251 HA PRO 32 HA PRO 32 -10.537 12.150 -0.378 252 1HB PRO 32 HB2 PRO 32 -10.521 11.436 2.510 253 2HB PRO 32 HB1 PRO 32 -11.809 11.247 1.317 254 1HG PRO 32 HG2 PRO 32 -10.427 9.146 2.184 255 2HG PRO 32 HG1 PRO 32 -10.920 9.289 0.471 256 1HD PRO 32 HD2 PRO 32 -8.227 9.782 1.739 257 2HD PRO 32 HD1 PRO 32 -8.628 9.001 0.187 258 H GLN 33 HN GLN 33 -11.148 14.171 0.409 259 HA GLN 33 HA GLN 33 -9.027 15.853 1.213 260 1HB GLN 33 HB2 GLN 33 -11.031 16.492 -0.250 261 2HB GLN 33 HB1 GLN 33 -11.938 16.628 1.252 262 1HG GLN 33 HG2 GLN 33 -11.171 18.775 0.560 263 2HG GLN 33 HG1 GLN 33 -10.364 18.307 2.061 264 1HE2 GLN 33 HE21 GLN 33 -9.602 17.122 -1.146 265 2HE2 GLN 33 HE22 GLN 33 -7.990 17.781 -1.236 266 H GLY 34 HN GLY 34 -8.307 16.194 3.204 267 1HA GLY 34 HA2 GLY 34 -8.966 16.877 5.504 268 2HA GLY 34 HA1 GLY 34 -10.109 15.556 5.460 269 H TRP 35 HN TRP 35 -8.036 14.015 3.884 270 HA TRP 35 HA TRP 35 -6.453 13.175 6.197 271 1HB TRP 35 HB2 TRP 35 -7.172 11.682 3.666 272 2HB TRP 35 HB1 TRP 35 -6.152 11.027 4.946 273 HD1 TRP 35 HD1 TRP 35 -9.793 11.989 4.204 274 HE1 TRP 35 HE1 TRP 35 -11.316 10.754 5.900 275 HE3 TRP 35 HE3 TRP 35 -6.179 9.956 7.224 276 HZ2 TRP 35 HZ2 TRP 35 -10.998 9.154 8.225 277 HZ3 TRP 35 HZ3 TRP 35 -6.882 8.580 9.150 278 HH2 TRP 35 HH2 TRP 35 -9.243 8.195 9.632 279 H ARG 36 HN ARG 36 -4.227 12.577 5.841 280 HA ARG 36 HA ARG 36 -3.041 13.759 3.439 281 1HB ARG 36 HB2 ARG 36 -2.826 15.315 5.399 282 2HB ARG 36 HB1 ARG 36 -1.873 14.076 6.213 283 1HG ARG 36 HG2 ARG 36 -0.429 15.723 5.220 284 2HG ARG 36 HG1 ARG 36 -0.225 14.163 4.401 285 1HD ARG 36 HD2 ARG 36 -1.866 14.989 2.684 286 2HD ARG 36 HD1 ARG 36 -1.727 16.586 3.420 287 HE ARG 36 HE ARG 36 0.743 15.267 2.542 288 1HH1 ARG 36 HH11 ARG 36 -1.727 17.723 2.007 289 2HH1 ARG 36 HH12 ARG 36 -0.782 18.609 0.840 290 1HH2 ARG 36 HH21 ARG 36 1.987 16.460 1.030 291 2HH2 ARG 36 HH22 ARG 36 1.323 17.888 0.285 292 H ALA 37 HN ALA 37 -0.987 12.790 2.837 293 HA ALA 37 HA ALA 37 -0.881 10.000 3.397 294 1HB ALA 37 HB1 ALA 37 1.063 9.960 1.935 295 2HB ALA 37 HB2 ALA 37 1.106 11.734 1.904 296 3HB ALA 37 HB3 ALA 37 -0.267 10.861 1.208 297 H ALA 38 HN ALA 38 0.225 8.999 4.980 298 HA ALA 38 HA ALA 38 2.167 10.607 6.474 299 1HB ALA 38 HB1 ALA 38 0.444 8.404 7.560 300 2HB ALA 38 HB2 ALA 38 0.106 10.124 7.701 301 3HB ALA 38 HB3 ALA 38 1.540 9.443 8.477 302 H GLY 39 HN GLY 39 3.721 9.727 4.866 303 1HA GLY 39 HA2 GLY 39 5.857 8.795 5.268 304 2HA GLY 39 HA1 GLY 39 5.107 7.693 6.401 305 H LYS 40 HN LYS 40 4.485 5.695 5.757 306 HA LYS 40 HA LYS 40 5.889 4.843 3.411 307 1HB LYS 40 HB2 LYS 40 4.312 3.305 5.461 308 2HB LYS 40 HB1 LYS 40 5.213 2.566 4.140 309 1HG LYS 40 HG2 LYS 40 7.284 3.574 5.022 310 2HG LYS 40 HG1 LYS 40 6.360 4.236 6.375 311 1HD LYS 40 HD2 LYS 40 7.368 2.251 7.170 312 2HD LYS 40 HD1 LYS 40 5.664 1.879 6.925 313 1HE LYS 40 HE2 LYS 40 7.091 0.089 6.110 314 2HE LYS 40 HE1 LYS 40 6.187 0.828 4.796 315 1HZ LYS 40 HZ1 LYS 40 8.131 1.988 4.083 316 2HZ LYS 40 HZ2 LYS 40 8.587 0.371 4.322 317 3HZ LYS 40 HZ3 LYS 40 8.998 1.538 5.471 318 H SER 41 HN SER 41 5.130 4.687 1.489 319 HA SER 41 HA SER 41 2.323 3.879 1.109 320 1HB SER 41 HB2 SER 41 2.390 5.298 -1.011 321 2HB SER 41 HB1 SER 41 2.329 6.182 0.535 322 HG SER 41 HG SER 41 4.874 5.776 -0.029 323 H GLY 42 HN GLY 42 2.113 2.090 -0.142 324 1HA GLY 42 HA2 GLY 42 3.478 1.505 -2.439 325 2HA GLY 42 HA1 GLY 42 4.441 0.786 -1.146 326 H LEU 43 HN LEU 43 4.001 -1.259 -0.734 327 HA LEU 43 HA LEU 43 1.574 -2.481 -1.709 328 1HB LEU 43 HB2 LEU 43 3.849 -3.629 -0.093 329 2HB LEU 43 HB1 LEU 43 2.539 -4.568 -0.775 330 HG LEU 43 HG LEU 43 4.271 -4.938 -2.256 331 1HD1 LEU 43 HD11 LEU 43 2.874 -2.543 -3.415 332 2HD1 LEU 43 HD12 LEU 43 2.283 -4.210 -3.434 333 3HD1 LEU 43 HD13 LEU 43 3.748 -3.788 -4.315 334 1HD2 LEU 43 HD21 LEU 43 5.874 -3.389 -1.381 335 2HD2 LEU 43 HD22 LEU 43 4.995 -2.029 -2.064 336 3HD2 LEU 43 HD23 LEU 43 5.774 -3.197 -3.132 337 H LYS 44 HN LYS 44 0.402 -4.014 -0.158 338 HA LYS 44 HA LYS 44 -0.833 -2.548 1.854 339 1HB LYS 44 HB2 LYS 44 -1.975 -4.395 0.883 340 2HB LYS 44 HB1 LYS 44 -0.711 -5.520 1.330 341 1HG LYS 44 HG2 LYS 44 -1.296 -5.453 3.601 342 2HG LYS 44 HG1 LYS 44 -2.354 -4.054 3.367 343 1HD LYS 44 HD2 LYS 44 -4.015 -5.327 2.350 344 2HD LYS 44 HD1 LYS 44 -2.882 -6.618 1.908 345 1HE LYS 44 HE2 LYS 44 -3.623 -5.960 4.741 346 2HE LYS 44 HE1 LYS 44 -4.471 -7.160 3.769 347 1HZ LYS 44 HZ1 LYS 44 -2.425 -8.383 3.516 348 2HZ LYS 44 HZ2 LYS 44 -2.734 -8.153 5.163 349 3HZ LYS 44 HZ3 LYS 44 -1.562 -7.210 4.378 350 H LYS 45 HN LYS 45 1.793 -4.853 2.014 351 HA LYS 45 HA LYS 45 1.950 -5.037 4.802 352 1HB LYS 45 HB2 LYS 45 4.264 -5.885 4.431 353 2HB LYS 45 HB1 LYS 45 3.023 -6.715 3.494 354 1HG LYS 45 HG2 LYS 45 4.710 -6.479 1.931 355 2HG LYS 45 HG1 LYS 45 3.719 -5.051 1.611 356 1HD LYS 45 HD2 LYS 45 5.214 -3.651 2.861 357 2HD LYS 45 HD1 LYS 45 6.146 -5.048 3.397 358 1HE LYS 45 HE2 LYS 45 5.854 -4.188 0.531 359 2HE LYS 45 HE1 LYS 45 7.246 -3.830 1.542 360 1HZ LYS 45 HZ1 LYS 45 6.300 -6.564 0.844 361 2HZ LYS 45 HZ2 LYS 45 7.693 -6.180 1.739 362 3HZ LYS 45 HZ3 LYS 45 7.590 -5.759 0.098 363 H ASP 46 HN ASP 46 3.233 -2.613 2.604 364 HA ASP 46 HA ASP 46 5.083 -1.435 4.376 365 1HB ASP 46 HB2 ASP 46 3.620 -0.328 1.980 366 2HB ASP 46 HB1 ASP 46 4.810 0.610 2.903 367 H CYS 47 HN CYS 47 1.705 -0.914 3.711 368 HA CYS 47 HA CYS 47 1.472 1.427 5.278 369 1HB CYS 47 HB2 CYS 47 -0.073 0.889 3.420 370 2HB CYS 47 HB1 CYS 47 -0.673 -0.493 4.348 371 HG CYS 47 HG CYS 47 -0.974 2.066 6.274 372 H LEU 48 HN LEU 48 0.609 -1.960 5.782 373 HA LEU 48 HA LEU 48 -0.463 -1.796 8.323 374 1HB LEU 48 HB2 LEU 48 0.769 -3.863 6.679 375 2HB LEU 48 HB1 LEU 48 0.850 -4.154 8.402 376 HG LEU 48 HG LEU 48 -1.635 -3.880 8.492 377 1HD1 LEU 48 HD11 LEU 48 -1.913 -2.639 6.398 378 2HD1 LEU 48 HD12 LEU 48 -2.879 -4.107 6.421 379 3HD1 LEU 48 HD13 LEU 48 -1.377 -4.057 5.492 380 1HD2 LEU 48 HD21 LEU 48 -2.018 -6.123 7.663 381 2HD2 LEU 48 HD22 LEU 48 -0.480 -6.019 8.530 382 3HD2 LEU 48 HD23 LEU 48 -0.507 -6.068 6.767 383 H ALA 49 HN ALA 49 2.836 -2.511 7.417 384 HA ALA 49 HA ALA 49 3.990 -2.806 9.904 385 1HB ALA 49 HB1 ALA 49 6.100 -2.226 8.850 386 2HB ALA 49 HB2 ALA 49 5.260 -1.492 7.497 387 3HB ALA 49 HB3 ALA 49 5.151 -3.237 7.757 388 H TYR 50 HN TYR 50 3.370 0.134 8.075 389 HA TYR 50 HA TYR 50 4.686 1.918 9.745 390 1HB TYR 50 HB2 TYR 50 3.805 2.395 7.422 391 2HB TYR 50 HB1 TYR 50 2.218 2.598 8.175 392 HD1 TYR 50 HD1 TYR 50 5.589 4.000 7.835 393 HD2 TYR 50 HD2 TYR 50 1.734 4.567 9.517 394 HE1 TYR 50 HE1 TYR 50 6.148 6.335 8.322 395 HE2 TYR 50 HE2 TYR 50 2.275 6.906 10.001 396 HH TYR 50 HH TYR 50 4.450 8.241 10.404 397 H ILE 51 HN ILE 51 1.392 0.632 9.944 398 HA ILE 51 HA ILE 51 0.605 2.450 12.001 399 HB ILE 51 HB ILE 51 -0.609 -0.052 10.866 400 1HG1 ILE 51 HG12 ILE 51 -2.557 1.476 10.512 401 2HG1 ILE 51 HG11 ILE 51 -1.657 2.781 11.274 402 1HG2 ILE 51 HG21 ILE 51 -0.982 -0.357 13.236 403 2HG2 ILE 51 HG22 ILE 51 -2.504 0.154 12.486 404 3HG2 ILE 51 HG23 ILE 51 -1.540 1.308 13.404 405 1HD1 ILE 51 HD11 ILE 51 -0.870 1.374 8.718 406 2HD1 ILE 51 HD12 ILE 51 -0.029 2.725 9.474 407 3HD1 ILE 51 HD13 ILE 51 -1.659 2.941 8.838 408 H GLU 52 HN GLU 52 2.016 -0.750 11.927 409 HA GLU 52 HA GLU 52 1.859 -1.316 14.663 410 1HB GLU 52 HB2 GLU 52 2.493 -2.985 13.012 411 2HB GLU 52 HB1 GLU 52 3.962 -2.090 12.636 412 1HG GLU 52 HG2 GLU 52 4.795 -2.524 14.886 413 2HG GLU 52 HG1 GLU 52 3.303 -3.394 15.281 414 H GLU 53 HN GLU 53 4.290 0.434 12.777 415 HA GLU 53 HA GLU 53 6.348 0.628 14.479 416 1HB GLU 53 HB2 GLU 53 5.376 2.841 12.706 417 2HB GLU 53 HB1 GLU 53 6.983 2.755 13.408 418 1HG GLU 53 HG2 GLU 53 5.722 0.879 11.441 419 2HG GLU 53 HG1 GLU 53 7.073 1.976 11.163 420 H VAL 54 HN VAL 54 4.191 3.629 16.254 421 HA VAL 54 HA VAL 54 3.650 2.785 13.496 422 HB VAL 54 HB VAL 54 1.652 2.759 14.770 423 1HG1 VAL 54 HG11 VAL 54 0.898 4.603 16.174 424 2HG1 VAL 54 HG12 VAL 54 2.354 5.506 15.803 425 3HG1 VAL 54 HG13 VAL 54 2.469 3.994 16.714 426 1HG2 VAL 54 HG21 VAL 54 1.662 5.454 13.414 427 2HG2 VAL 54 HG22 VAL 54 0.248 4.457 13.780 428 3HG2 VAL 54 HG23 VAL 54 1.436 3.917 12.587 429 H TRP 55 HN TRP 55 4.696 5.465 15.451 430 HA TRP 55 HA TRP 55 4.098 7.724 14.246 431 1HB TRP 55 HB2 TRP 55 6.946 7.322 15.043 432 2HB TRP 55 HB1 TRP 55 5.865 8.683 15.360 433 HD1 TRP 55 HD1 TRP 55 3.851 8.112 17.225 434 HE1 TRP 55 HE1 TRP 55 4.034 6.717 19.395 435 HE3 TRP 55 HE3 TRP 55 8.048 5.442 16.097 436 HZ2 TRP 55 HZ2 TRP 55 5.751 4.737 20.459 437 HZ3 TRP 55 HZ3 TRP 55 8.895 3.813 17.742 438 HH2 TRP 55 HH2 TRP 55 7.769 3.460 19.884 439 H THR 56 HN THR 56 6.749 5.608 13.033 440 HA THR 56 HA THR 56 6.890 7.008 10.559 441 HB THR 56 HB THR 56 9.395 7.588 10.964 442 HG1 THR 56 HG1 THR 56 8.962 6.813 13.304 443 1HG2 THR 56 HG21 THR 56 7.716 9.233 10.296 444 2HG2 THR 56 HG22 THR 56 8.786 9.898 11.523 445 3HG2 THR 56 HG23 THR 56 7.168 9.361 11.974 446 H ASP 57 HN ASP 57 8.541 6.137 9.129 447 HA ASP 57 HA ASP 57 9.098 3.350 9.510 448 1HB ASP 57 HB2 ASP 57 8.745 4.447 7.289 449 2HB ASP 57 HB1 ASP 57 10.262 5.298 7.487 450 H MET 58 HN MET 58 11.291 2.430 9.523 451 HA MET 58 HA MET 58 13.355 2.149 10.395 452 1HB MET 58 HB2 MET 58 13.485 5.167 10.276 453 2HB MET 58 HB1 MET 58 14.836 4.153 10.782 454 1HG MET 58 HG2 MET 58 13.497 4.000 8.082 455 2HG MET 58 HG1 MET 58 14.959 4.901 8.433 456 1HE MET 58 HE1 MET 58 16.665 3.162 10.313 457 2HE MET 58 HE2 MET 58 17.311 3.822 8.820 458 3HE MET 58 HE3 MET 58 17.548 2.127 9.200 459 H ARG 59 HN ARG 59 14.708 2.669 12.393 460 HA ARG 59 HA ARG 59 14.713 2.066 14.563 461 1HB ARG 59 HB2 ARG 59 14.173 3.910 16.120 462 2HB ARG 59 HB1 ARG 59 15.147 4.427 14.758 463 1HG ARG 59 HG2 ARG 59 13.595 5.874 14.041 464 2HG ARG 59 HG1 ARG 59 12.288 4.707 14.298 465 1HD ARG 59 HD2 ARG 59 13.630 6.393 16.422 466 2HD ARG 59 HD1 ARG 59 12.016 6.662 15.737 467 HE ARG 59 HE ARG 59 12.002 4.084 16.696 468 1HH1 ARG 59 HH11 ARG 59 12.451 7.287 18.063 469 2HH1 ARG 59 HH12 ARG 59 11.858 6.849 19.628 470 1HH2 ARG 59 HH21 ARG 59 11.300 3.484 18.794 471 2HH2 ARG 59 HH22 ARG 59 11.220 4.683 20.050 472 HA PRO 60 HA PRO 60 10.338 0.553 14.868 473 1HB PRO 60 HB2 PRO 60 10.950 -2.100 14.887 474 2HB PRO 60 HB1 PRO 60 10.699 -1.179 13.396 475 1HG PRO 60 HG2 PRO 60 13.229 -2.054 14.686 476 2HG PRO 60 HG1 PRO 60 12.807 -1.942 12.972 477 1HD PRO 60 HD2 PRO 60 14.347 -0.108 14.314 478 2HD PRO 60 HD1 PRO 60 13.440 0.229 12.833 479 H LEU 61 HN LEU 61 9.302 -0.329 16.696 480 HA LEU 61 HA LEU 61 10.928 -0.228 19.095 481 1HB LEU 61 HB2 LEU 61 8.711 -0.560 20.260 482 2HB LEU 61 HB1 LEU 61 8.881 0.907 19.319 483 HG LEU 61 HG LEU 61 7.577 -0.236 17.473 484 1HD1 LEU 61 HD11 LEU 61 6.985 -2.226 19.649 485 2HD1 LEU 61 HD12 LEU 61 7.871 -2.549 18.172 486 3HD1 LEU 61 HD13 LEU 61 6.164 -2.132 18.092 487 1HD2 LEU 61 HD21 LEU 61 5.418 0.118 18.565 488 2HD2 LEU 61 HD22 LEU 61 6.559 1.419 18.937 489 3HD2 LEU 61 HD23 LEU 61 6.225 0.168 20.138 490 H SER 62 HN SER 62 10.657 -2.496 16.918 491 HA SER 62 HA SER 62 9.782 -4.835 18.229 492 1HB SER 62 HB2 SER 62 11.960 -4.707 16.140 493 2HB SER 62 HB1 SER 62 10.800 -6.018 16.442 494 HG SER 62 HG SER 62 9.208 -4.187 15.909 495 H LEU 63 HN LEU 63 12.537 -2.890 18.726 496 HA LEU 63 HA LEU 63 14.245 -4.955 19.754 497 1HB LEU 63 HB2 LEU 63 15.568 -2.963 20.632 498 2HB LEU 63 HB1 LEU 63 15.370 -3.099 18.887 499 HG LEU 63 HG LEU 63 13.353 -1.478 19.267 500 1HD1 LEU 63 HD11 LEU 63 13.426 -1.551 21.700 501 2HD1 LEU 63 HD12 LEU 63 13.682 0.087 21.102 502 3HD1 LEU 63 HD13 LEU 63 15.056 -0.865 21.680 503 1HD2 LEU 63 HD21 LEU 63 15.334 -0.991 17.953 504 2HD2 LEU 63 HD22 LEU 63 16.225 -0.561 19.423 505 3HD2 LEU 63 HD23 LEU 63 14.850 0.412 18.886 506 H ARG 64 HN ARG 64 11.472 -3.549 20.923 507 HA ARG 64 HA ARG 64 12.100 -3.451 23.706 508 1HB ARG 64 HB2 ARG 64 10.176 -2.255 22.724 509 2HB ARG 64 HB1 ARG 64 9.421 -3.791 22.317 510 1HG ARG 64 HG2 ARG 64 8.396 -2.903 24.292 511 2HG ARG 64 HG1 ARG 64 9.319 -4.341 24.721 512 1HD ARG 64 HD2 ARG 64 11.179 -2.878 25.465 513 2HD ARG 64 HD1 ARG 64 10.173 -1.477 25.118 514 HE ARG 64 HE ARG 64 8.850 -3.272 26.892 515 1HH1 ARG 64 HH11 ARG 64 11.321 -0.765 26.763 516 2HH1 ARG 64 HH12 ARG 64 11.207 -0.424 28.466 517 1HH2 ARG 64 HH21 ARG 64 8.660 -2.738 29.112 518 2HH2 ARG 64 HH22 ARG 64 9.701 -1.525 29.799 519 H GLN 65 HN GLN 65 11.267 -5.892 21.438 520 HA GLN 65 HA GLN 65 11.305 -8.139 21.491 521 1HB GLN 65 HB2 GLN 65 13.396 -7.757 22.824 522 2HB GLN 65 HB1 GLN 65 12.432 -7.921 24.283 523 1HG GLN 65 HG2 GLN 65 13.545 -9.986 23.839 524 2HG GLN 65 HG1 GLN 65 11.813 -10.199 23.568 525 1HE2 GLN 65 HE21 GLN 65 11.058 -10.474 21.459 526 2HE2 GLN 65 HE22 GLN 65 12.120 -10.913 20.147 527 H HIS 66 HN HIS 66 9.029 -8.202 21.421 528 HA HIS 66 HA HIS 66 7.582 -8.571 23.928 529 1HB HIS 66 HB2 HIS 66 6.656 -8.833 21.062 530 2HB HIS 66 HB1 HIS 66 5.626 -8.979 22.469 531 HD1 HIS 66 HD1 HIS 66 6.570 -6.614 20.001 532 HD2 HIS 66 HD2 HIS 66 5.876 -6.401 24.097 533 HE1 HIS 66 HE1 HIS 66 6.080 -4.197 20.511 534 HE2 HIS 66 HE2 HIS 66 5.536 -4.123 22.958 535 H MET 67 HN MET 67 8.859 -10.502 21.276 536 HA MET 67 HA MET 67 7.902 -12.997 22.290 537 1HB MET 67 HB2 MET 67 8.427 -12.525 19.871 538 2HB MET 67 HB1 MET 67 10.134 -12.457 20.306 539 1HG MET 67 HG2 MET 67 10.067 -14.777 20.989 540 2HG MET 67 HG1 MET 67 8.342 -14.858 20.644 541 1HE MET 67 HE1 MET 67 8.152 -14.631 16.818 542 2HE MET 67 HE2 MET 67 7.934 -13.335 17.987 543 3HE MET 67 HE3 MET 67 7.295 -14.938 18.315 544 H ASP 68 HN ASP 68 9.169 -11.479 24.282 545 HA ASP 68 HA ASP 68 11.864 -12.083 24.756 546 1HB ASP 68 HB2 ASP 68 10.514 -10.391 25.991 547 2HB ASP 68 HB1 ASP 68 9.670 -11.692 26.810 548 H LYS 69 HN LYS 69 12.693 -13.566 26.479 549 HA LYS 69 HA LYS 69 13.126 -15.710 27.126 550 1HB LYS 69 HB2 LYS 69 10.187 -16.301 26.593 551 2HB LYS 69 HB1 LYS 69 11.319 -17.292 27.520 552 1HG LYS 69 HG2 LYS 69 11.455 -15.654 29.248 553 2HG LYS 69 HG1 LYS 69 10.552 -14.481 28.282 554 1HD LYS 69 HD2 LYS 69 8.869 -15.217 29.620 555 2HD LYS 69 HD1 LYS 69 8.715 -16.411 28.330 556 1HE LYS 69 HE2 LYS 69 10.275 -16.824 30.887 557 2HE LYS 69 HE1 LYS 69 8.639 -17.396 30.614 558 1HZ LYS 69 HZ1 LYS 69 11.113 -18.222 29.220 559 2HZ LYS 69 HZ2 LYS 69 9.568 -18.657 28.675 560 3HZ LYS 69 HZ3 LYS 69 10.117 -19.174 30.201 561 H ALA 70 HN ALA 70 14.450 -16.589 25.728 562 HA ALA 70 HA ALA 70 14.181 -16.257 22.971 563 1HB ALA 70 HB1 ALA 70 16.236 -17.556 22.782 564 2HB ALA 70 HB2 ALA 70 16.028 -18.111 24.449 565 3HB ALA 70 HB3 ALA 70 16.324 -16.403 24.119 566 H ALA 71 HN ALA 71 13.521 -19.124 24.920 567 HA ALA 71 HA ALA 71 12.749 -20.544 22.444 568 1HB ALA 71 HB1 ALA 71 13.401 -21.661 25.171 569 2HB ALA 71 HB2 ALA 71 14.466 -21.690 23.754 570 3HB ALA 71 HB3 ALA 71 12.952 -22.608 23.760 571 H GLY 72 HN GLY 72 11.367 -18.644 24.568 572 1HA GLY 72 HA2 GLY 72 8.984 -18.472 24.772 573 2HA GLY 72 HA1 GLY 72 8.913 -20.223 24.709 Start of MODEL 9 1 1H MET 1 HT1 MET 1 6.047 10.900 -11.881 2 2H MET 1 HT2 MET 1 6.326 9.373 -11.206 3 3H MET 1 HT3 MET 1 5.004 9.628 -12.244 4 HA MET 1 HA MET 1 6.566 10.131 -14.058 5 1HB MET 1 HB2 MET 1 8.595 9.099 -12.058 6 2HB MET 1 HB1 MET 1 8.909 9.492 -13.738 7 1HG MET 1 HG2 MET 1 8.350 11.826 -13.296 8 2HG MET 1 HG1 MET 1 8.046 11.431 -11.608 9 1HE MET 1 HE1 MET 1 9.715 13.225 -10.709 10 2HE MET 1 HE2 MET 1 9.979 13.759 -12.380 11 3HE MET 1 HE3 MET 1 11.353 13.446 -11.319 12 H THR 2 HN THR 2 7.831 8.190 -15.151 13 HA THR 2 HA THR 2 6.116 5.987 -15.232 14 HB THR 2 HB THR 2 8.999 6.132 -16.151 15 HG1 THR 2 HG1 THR 2 6.534 6.787 -17.428 16 1HG2 THR 2 HG21 THR 2 8.403 4.356 -17.694 17 2HG2 THR 2 HG22 THR 2 6.753 4.314 -17.061 18 3HG2 THR 2 HG23 THR 2 8.119 3.830 -16.036 19 H SER 3 HN SER 3 5.783 4.588 -13.645 20 HA SER 3 HA SER 3 7.935 3.904 -11.802 21 1HB SER 3 HB2 SER 3 5.077 2.908 -11.838 22 2HB SER 3 HB1 SER 3 6.219 2.808 -10.498 23 HG SER 3 HG SER 3 6.166 5.077 -10.343 24 H VAL 4 HN VAL 4 7.418 1.290 -11.160 25 HA VAL 4 HA VAL 4 8.539 -0.096 -13.385 26 HB VAL 4 HB VAL 4 8.418 -2.131 -11.970 27 1HG1 VAL 4 HG11 VAL 4 10.348 -0.660 -11.852 28 2HG1 VAL 4 HG12 VAL 4 9.990 -1.381 -10.278 29 3HG1 VAL 4 HG13 VAL 4 9.549 0.299 -10.599 30 1HG2 VAL 4 HG21 VAL 4 7.684 -1.986 -9.651 31 2HG2 VAL 4 HG22 VAL 4 6.350 -1.600 -10.743 32 3HG2 VAL 4 HG23 VAL 4 7.184 -0.301 -9.888 33 H PHE 5 HN PHE 5 5.374 0.339 -12.099 34 HA PHE 5 HA PHE 5 3.326 0.085 -13.070 35 1HB PHE 5 HB2 PHE 5 4.624 0.431 -15.231 36 2HB PHE 5 HB1 PHE 5 4.657 -1.326 -15.399 37 HD1 PHE 5 HD1 PHE 5 2.282 1.470 -14.830 38 HD2 PHE 5 HD2 PHE 5 2.955 -2.340 -16.575 39 HE1 PHE 5 HE1 PHE 5 0.072 1.588 -15.891 40 HE2 PHE 5 HE2 PHE 5 0.744 -2.249 -17.649 41 HZ PHE 5 HZ PHE 5 -0.713 -0.271 -17.304 42 H ASP 6 HN ASP 6 5.410 -2.377 -12.244 43 HA ASP 6 HA ASP 6 3.457 -4.492 -12.441 44 1HB ASP 6 HB2 ASP 6 6.216 -4.359 -11.224 45 2HB ASP 6 HB1 ASP 6 5.174 -5.773 -11.099 46 H ARG 7 HN ARG 7 1.781 -4.348 -11.153 47 HA ARG 7 HA ARG 7 2.202 -3.245 -8.465 48 1HB ARG 7 HB2 ARG 7 -0.268 -2.838 -8.437 49 2HB ARG 7 HB1 ARG 7 0.617 -1.892 -9.621 50 1HG ARG 7 HG2 ARG 7 -0.696 -4.428 -10.413 51 2HG ARG 7 HG1 ARG 7 -1.651 -2.947 -10.223 52 1HD ARG 7 HD2 ARG 7 -0.070 -1.860 -11.823 53 2HD ARG 7 HD1 ARG 7 0.714 -3.419 -12.069 54 HE ARG 7 HE ARG 7 -2.169 -3.218 -12.591 55 1HH1 ARG 7 HH11 ARG 7 1.087 -3.418 -13.886 56 2HH1 ARG 7 HH12 ARG 7 0.584 -3.990 -15.440 57 1HH2 ARG 7 HH21 ARG 7 -2.825 -3.987 -14.617 58 2HH2 ARG 7 HH22 ARG 7 -1.647 -4.316 -15.861 59 H ASP 8 HN ASP 8 3.083 -5.356 -7.989 60 HA ASP 8 HA ASP 8 1.391 -7.656 -7.941 61 1HB ASP 8 HB2 ASP 8 3.182 -8.762 -6.776 62 2HB ASP 8 HB1 ASP 8 3.892 -7.747 -8.036 63 H ASP 9 HN ASP 9 0.507 -8.703 -6.146 64 HA ASP 9 HA ASP 9 -0.823 -8.806 -4.337 65 1HB ASP 9 HB2 ASP 9 1.316 -8.610 -3.143 66 2HB ASP 9 HB1 ASP 9 1.148 -6.856 -3.137 67 H ILE 10 HN ILE 10 -0.019 -5.554 -3.399 68 HA ILE 10 HA ILE 10 -1.849 -4.103 -4.922 69 HB ILE 10 HB ILE 10 -3.575 -5.380 -3.770 70 1HG1 ILE 10 HG12 ILE 10 -3.485 -2.524 -2.744 71 2HG1 ILE 10 HG11 ILE 10 -3.957 -2.993 -4.373 72 1HG2 ILE 10 HG21 ILE 10 -2.344 -5.918 -1.722 73 2HG2 ILE 10 HG22 ILE 10 -3.922 -5.221 -1.357 74 3HG2 ILE 10 HG23 ILE 10 -2.467 -4.240 -1.196 75 1HD1 ILE 10 HD11 ILE 10 -5.778 -4.330 -3.399 76 2HD1 ILE 10 HD12 ILE 10 -5.915 -2.609 -3.091 77 3HD1 ILE 10 HD13 ILE 10 -5.353 -3.693 -1.818 78 H GLN 11 HN GLN 11 -1.547 -1.944 -4.616 79 HA GLN 11 HA GLN 11 0.511 -1.300 -2.644 80 1HB GLN 11 HB2 GLN 11 -0.183 -0.044 -5.281 81 2HB GLN 11 HB1 GLN 11 0.805 0.804 -4.085 82 1HG GLN 11 HG2 GLN 11 2.285 -0.214 -5.620 83 2HG GLN 11 HG1 GLN 11 2.359 -1.156 -4.136 84 1HE2 GLN 11 HE21 GLN 11 3.190 -2.926 -5.285 85 2HE2 GLN 11 HE22 GLN 11 2.148 -3.940 -6.233 86 H PHE 12 HN PHE 12 0.131 -0.055 -1.010 87 HA PHE 12 HA PHE 12 -2.254 1.700 -1.096 88 1HB PHE 12 HB2 PHE 12 -1.134 0.133 1.253 89 2HB PHE 12 HB1 PHE 12 -2.288 1.453 1.428 90 HD1 PHE 12 HD1 PHE 12 -1.821 -2.030 0.467 91 HD2 PHE 12 HD2 PHE 12 -4.570 1.195 0.724 92 HE1 PHE 12 HE1 PHE 12 -3.703 -3.606 0.259 93 HE2 PHE 12 HE2 PHE 12 -6.459 -0.381 0.517 94 HZ PHE 12 HZ PHE 12 -6.032 -2.795 0.277 95 H GLN 13 HN GLN 13 -1.990 3.362 0.729 96 HA GLN 13 HA GLN 13 0.774 4.069 1.297 97 1HB GLN 13 HB2 GLN 13 0.610 6.319 0.587 98 2HB GLN 13 HB1 GLN 13 -0.017 5.358 -0.754 99 1HG GLN 13 HG2 GLN 13 -2.283 5.880 -0.099 100 2HG GLN 13 HG1 GLN 13 -1.712 6.790 1.302 101 1HE2 GLN 13 HE21 GLN 13 -2.219 6.826 -2.104 102 2HE2 GLN 13 HE22 GLN 13 -1.792 8.495 -2.362 103 H VAL 14 HN VAL 14 0.913 5.557 3.155 104 HA VAL 14 HA VAL 14 -1.326 5.055 4.969 105 HB VAL 14 HB VAL 14 1.406 6.133 5.594 106 1HG1 VAL 14 HG11 VAL 14 -0.253 6.741 7.262 107 2HG1 VAL 14 HG12 VAL 14 0.851 5.539 7.938 108 3HG1 VAL 14 HG13 VAL 14 -0.763 5.057 7.393 109 1HG2 VAL 14 HG21 VAL 14 1.880 3.894 6.505 110 2HG2 VAL 14 HG22 VAL 14 1.646 3.887 4.766 111 3HG2 VAL 14 HG23 VAL 14 0.368 3.309 5.833 112 H VAL 15 HN VAL 15 -2.724 6.665 5.509 113 HA VAL 15 HA VAL 15 -1.815 9.416 4.951 114 HB VAL 15 HB VAL 15 -4.240 9.989 4.742 115 1HG1 VAL 15 HG11 VAL 15 -2.843 9.614 2.776 116 2HG1 VAL 15 HG12 VAL 15 -4.487 9.035 2.473 117 3HG1 VAL 15 HG13 VAL 15 -3.198 7.886 2.842 118 1HG2 VAL 15 HG21 VAL 15 -4.611 6.985 4.717 119 2HG2 VAL 15 HG22 VAL 15 -5.857 8.192 4.376 120 3HG2 VAL 15 HG23 VAL 15 -5.169 8.084 5.984 121 H VAL 16 HN VAL 16 -2.488 11.045 6.486 122 HA VAL 16 HA VAL 16 -3.172 9.915 9.109 123 HB VAL 16 HB VAL 16 -0.813 10.613 9.021 124 1HG1 VAL 16 HG11 VAL 16 -0.917 12.413 7.386 125 2HG1 VAL 16 HG12 VAL 16 -0.253 13.012 8.904 126 3HG1 VAL 16 HG13 VAL 16 -1.928 13.375 8.487 127 1HG2 VAL 16 HG21 VAL 16 -1.996 10.684 11.146 128 2HG2 VAL 16 HG22 VAL 16 -2.542 12.322 10.809 129 3HG2 VAL 16 HG23 VAL 16 -0.818 11.994 11.050 130 H ASN 17 HN ASN 17 -4.697 10.912 10.307 131 HA ASN 17 HA ASN 17 -6.284 12.964 8.984 132 1HB ASN 17 HB2 ASN 17 -7.328 10.875 9.900 133 2HB ASN 17 HB1 ASN 17 -6.862 11.389 11.520 134 1HD2 ASN 17 HD21 ASN 17 -9.084 11.328 12.094 135 2HD2 ASN 17 HD22 ASN 17 -10.181 12.591 11.645 136 H HIS 18 HN HIS 18 -7.378 14.534 10.590 137 HA HIS 18 HA HIS 18 -5.463 16.409 11.382 138 1HB HIS 18 HB2 HIS 18 -8.359 16.226 12.235 139 2HB HIS 18 HB1 HIS 18 -7.338 17.653 12.344 140 HD1 HIS 18 HD1 HIS 18 -9.324 15.660 9.919 141 HD2 HIS 18 HD2 HIS 18 -6.941 19.052 9.955 142 HE1 HIS 18 HE1 HIS 18 -9.783 16.812 7.744 143 HE2 HIS 18 HE2 HIS 18 -8.542 19.007 7.913 144 H GLU 19 HN GLU 19 -6.354 13.657 13.003 145 HA GLU 19 HA GLU 19 -5.879 14.819 15.649 146 1HB GLU 19 HB2 GLU 19 -7.033 12.680 16.426 147 2HB GLU 19 HB1 GLU 19 -8.034 13.924 15.699 148 1HG GLU 19 HG2 GLU 19 -7.681 12.592 13.513 149 2HG GLU 19 HG1 GLU 19 -7.178 11.281 14.595 150 H GLU 20 HN GLU 20 -4.047 13.647 13.467 151 HA GLU 20 HA GLU 20 -2.066 12.553 13.375 152 1HB GLU 20 HB2 GLU 20 -1.732 13.834 15.534 153 2HB GLU 20 HB1 GLU 20 -2.230 12.386 16.413 154 1HG GLU 20 HG2 GLU 20 -0.373 11.158 15.400 155 2HG GLU 20 HG1 GLU 20 0.128 12.634 14.559 156 H GLN 21 HN GLN 21 -4.430 11.083 13.096 157 HA GLN 21 HA GLN 21 -3.649 8.473 14.167 158 1HB GLN 21 HB2 GLN 21 -5.915 9.143 14.905 159 2HB GLN 21 HB1 GLN 21 -6.397 9.338 13.236 160 1HG GLN 21 HG2 GLN 21 -6.202 7.026 12.790 161 2HG GLN 21 HG1 GLN 21 -5.405 6.748 14.354 162 1HE2 GLN 21 HE21 GLN 21 -8.166 8.852 14.024 163 2HE2 GLN 21 HE22 GLN 21 -9.292 7.830 14.837 164 H TYR 22 HN TYR 22 -3.064 6.959 12.750 165 HA TYR 22 HA TYR 22 -2.972 7.791 9.952 166 1HB TYR 22 HB2 TYR 22 -1.486 5.621 11.450 167 2HB TYR 22 HB1 TYR 22 -1.263 5.976 9.733 168 HD1 TYR 22 HD1 TYR 22 -0.056 7.979 9.030 169 HD2 TYR 22 HD2 TYR 22 -0.605 7.088 13.159 170 HE1 TYR 22 HE1 TYR 22 1.653 9.638 9.630 171 HE2 TYR 22 HE2 TYR 22 1.102 8.741 13.757 172 HH TYR 22 HH TYR 22 3.012 9.866 12.723 173 H SER 23 HN SER 23 -3.375 6.322 8.289 174 HA SER 23 HA SER 23 -4.706 3.820 8.776 175 1HB SER 23 HB2 SER 23 -6.526 5.611 8.972 176 2HB SER 23 HB1 SER 23 -6.280 5.894 7.247 177 HG SER 23 HG SER 23 -7.158 3.521 8.518 178 H ILE 24 HN ILE 24 -5.582 3.092 6.347 179 HA ILE 24 HA ILE 24 -3.298 3.682 4.610 180 HB ILE 24 HB ILE 24 -3.267 1.379 3.855 181 1HG1 ILE 24 HG12 ILE 24 -5.479 0.885 5.865 182 2HG1 ILE 24 HG11 ILE 24 -5.669 0.882 4.106 183 1HG2 ILE 24 HG21 ILE 24 -3.245 1.521 6.857 184 2HG2 ILE 24 HG22 ILE 24 -1.921 1.974 5.800 185 3HG2 ILE 24 HG23 ILE 24 -2.453 0.287 5.869 186 1HD1 ILE 24 HD11 ILE 24 -5.551 -1.384 4.927 187 2HD1 ILE 24 HD12 ILE 24 -4.014 -1.032 5.714 188 3HD1 ILE 24 HD13 ILE 24 -4.123 -1.020 3.964 189 H TRP 25 HN TRP 25 -3.706 3.850 2.429 190 HA TRP 25 HA TRP 25 -6.452 3.525 1.483 191 1HB TRP 25 HB2 TRP 25 -6.127 5.872 2.374 192 2HB TRP 25 HB1 TRP 25 -4.913 6.096 1.122 193 HD1 TRP 25 HD1 TRP 25 -5.752 7.009 -1.121 194 HE1 TRP 25 HE1 TRP 25 -8.055 7.360 -2.201 195 HE3 TRP 25 HE3 TRP 25 -8.636 4.647 2.381 196 HZ2 TRP 25 HZ2 TRP 25 -10.743 6.697 -1.658 197 HZ3 TRP 25 HZ3 TRP 25 -11.074 4.533 2.016 198 HH2 TRP 25 HH2 TRP 25 -12.083 5.535 0.028 199 HA PRO 26 HA PRO 26 -4.272 1.739 -1.950 200 1HB PRO 26 HB2 PRO 26 -6.568 2.759 -3.532 201 2HB PRO 26 HB1 PRO 26 -5.907 1.125 -3.445 202 1HG PRO 26 HG2 PRO 26 -8.205 1.730 -2.218 203 2HG PRO 26 HG1 PRO 26 -7.040 0.621 -1.478 204 1HD PRO 26 HD2 PRO 26 -7.616 3.482 -0.796 205 2HD PRO 26 HD1 PRO 26 -7.158 2.122 0.255 206 H GLU 27 HN GLU 27 -2.791 2.503 -3.287 207 HA GLU 27 HA GLU 27 -2.216 5.248 -3.300 208 1HB GLU 27 HB2 GLU 27 -0.530 3.435 -3.359 209 2HB GLU 27 HB1 GLU 27 -1.052 3.040 -4.998 210 1HG GLU 27 HG2 GLU 27 -0.395 5.321 -5.687 211 2HG GLU 27 HG1 GLU 27 0.253 5.599 -4.058 212 H TYR 28 HN TYR 28 -3.896 3.209 -5.572 213 HA TYR 28 HA TYR 28 -3.603 5.057 -7.766 214 1HB TYR 28 HB2 TYR 28 -4.807 3.408 -9.090 215 2HB TYR 28 HB1 TYR 28 -3.515 2.645 -8.176 216 HD1 TYR 28 HD1 TYR 28 -4.212 1.463 -5.950 217 HD2 TYR 28 HD2 TYR 28 -6.952 2.537 -9.045 218 HE1 TYR 28 HE1 TYR 28 -5.817 -0.209 -5.116 219 HE2 TYR 28 HE2 TYR 28 -8.557 0.867 -8.187 220 HH TYR 28 HH TYR 28 -8.533 -1.210 -6.890 221 H LYS 29 HN LYS 29 -5.245 5.518 -5.208 222 HA LYS 29 HA LYS 29 -7.542 6.657 -6.634 223 1HB LYS 29 HB2 LYS 29 -7.656 5.282 -3.966 224 2HB LYS 29 HB1 LYS 29 -8.950 6.276 -4.607 225 1HG LYS 29 HG2 LYS 29 -8.912 4.708 -6.634 226 2HG LYS 29 HG1 LYS 29 -7.952 3.636 -5.595 227 1HD LYS 29 HD2 LYS 29 -10.706 4.704 -4.958 228 2HD LYS 29 HD1 LYS 29 -10.343 3.077 -5.551 229 1HE LYS 29 HE2 LYS 29 -8.981 2.665 -3.531 230 2HE LYS 29 HE1 LYS 29 -9.389 4.284 -2.943 231 1HZ LYS 29 HZ1 LYS 29 -11.372 2.143 -3.535 232 2HZ LYS 29 HZ2 LYS 29 -11.696 3.651 -2.808 233 3HZ LYS 29 HZ3 LYS 29 -10.766 2.484 -1.986 234 H GLU 30 HN GLU 30 -8.434 8.550 -5.802 235 HA GLU 30 HA GLU 30 -6.609 10.415 -4.733 236 1HB GLU 30 HB2 GLU 30 -8.453 11.088 -6.171 237 2HB GLU 30 HB1 GLU 30 -9.625 10.482 -5.003 238 1HG GLU 30 HG2 GLU 30 -8.711 12.196 -3.400 239 2HG GLU 30 HG1 GLU 30 -7.830 12.879 -4.774 240 H ILE 31 HN ILE 31 -6.159 10.957 -2.656 241 HA ILE 31 HA ILE 31 -7.055 9.429 -0.476 242 HB ILE 31 HB ILE 31 -5.772 12.158 -0.507 243 1HG1 ILE 31 HG12 ILE 31 -4.452 9.453 -0.272 244 2HG1 ILE 31 HG11 ILE 31 -4.476 10.436 -1.743 245 1HG2 ILE 31 HG21 ILE 31 -6.739 11.679 1.650 246 2HG2 ILE 31 HG22 ILE 31 -4.982 11.642 1.727 247 3HG2 ILE 31 HG23 ILE 31 -5.892 10.128 1.708 248 1HD1 ILE 31 HD11 ILE 31 -3.181 11.158 0.885 249 2HD1 ILE 31 HD12 ILE 31 -3.258 12.195 -0.543 250 3HD1 ILE 31 HD13 ILE 31 -2.366 10.683 -0.611 251 HA PRO 32 HA PRO 32 -10.979 11.349 0.579 252 1HB PRO 32 HB2 PRO 32 -10.044 10.895 3.355 253 2HB PRO 32 HB1 PRO 32 -11.566 10.434 2.590 254 1HG PRO 32 HG2 PRO 32 -9.640 8.651 3.100 255 2HG PRO 32 HG1 PRO 32 -10.660 8.526 1.658 256 1HD PRO 32 HD2 PRO 32 -7.823 9.371 1.895 257 2HD PRO 32 HD1 PRO 32 -8.657 8.578 0.546 258 H GLN 33 HN GLN 33 -11.513 13.384 0.870 259 HA GLN 33 HA GLN 33 -9.818 15.503 1.029 260 1HB GLN 33 HB2 GLN 33 -12.192 15.599 0.428 261 2HB GLN 33 HB1 GLN 33 -12.620 15.421 2.123 262 1HG GLN 33 HG2 GLN 33 -11.349 17.541 2.548 263 2HG GLN 33 HG1 GLN 33 -11.209 17.735 0.806 264 1HE2 GLN 33 HE21 GLN 33 -12.398 19.574 0.683 265 2HE2 GLN 33 HE22 GLN 33 -14.097 19.660 1.063 266 H GLY 34 HN GLY 34 -11.210 13.742 3.762 267 1HA GLY 34 HA2 GLY 34 -10.360 15.696 5.693 268 2HA GLY 34 HA1 GLY 34 -11.100 14.151 6.048 269 H TRP 35 HN TRP 35 -8.622 13.385 4.049 270 HA TRP 35 HA TRP 35 -6.708 13.105 6.261 271 1HB TRP 35 HB2 TRP 35 -7.436 11.047 4.158 272 2HB TRP 35 HB1 TRP 35 -6.108 10.881 5.291 273 HD1 TRP 35 HD1 TRP 35 -9.973 11.314 5.416 274 HE1 TRP 35 HE1 TRP 35 -10.868 9.937 7.406 275 HE3 TRP 35 HE3 TRP 35 -5.538 9.633 7.304 276 HZ2 TRP 35 HZ2 TRP 35 -9.838 8.375 9.492 277 HZ3 TRP 35 HZ3 TRP 35 -5.575 8.202 9.307 278 HH2 TRP 35 HH2 TRP 35 -7.675 7.588 10.379 279 H ARG 36 HN ARG 36 -4.465 12.568 5.372 280 HA ARG 36 HA ARG 36 -3.996 13.526 2.670 281 1HB ARG 36 HB2 ARG 36 -2.322 15.164 3.336 282 2HB ARG 36 HB1 ARG 36 -3.893 15.586 3.981 283 1HG ARG 36 HG2 ARG 36 -3.283 14.901 6.172 284 2HG ARG 36 HG1 ARG 36 -1.804 14.117 5.565 285 1HD ARG 36 HD2 ARG 36 -2.396 17.083 5.460 286 2HD ARG 36 HD1 ARG 36 -1.329 16.299 6.625 287 HE ARG 36 HE ARG 36 -0.326 15.540 4.211 288 1HH1 ARG 36 HH11 ARG 36 -1.045 18.643 5.702 289 2HH1 ARG 36 HH12 ARG 36 0.215 19.482 4.844 290 1HH2 ARG 36 HH21 ARG 36 1.348 16.638 3.108 291 2HH2 ARG 36 HH22 ARG 36 1.576 18.361 3.365 292 H ALA 37 HN ALA 37 -1.636 13.253 2.077 293 HA ALA 37 HA ALA 37 -0.954 10.568 2.679 294 1HB ALA 37 HB1 ALA 37 0.934 10.948 1.160 295 2HB ALA 37 HB2 ALA 37 0.595 12.676 1.170 296 3HB ALA 37 HB3 ALA 37 -0.569 11.544 0.479 297 H ALA 38 HN ALA 38 0.227 9.821 4.294 298 HA ALA 38 HA ALA 38 1.614 11.603 6.051 299 1HB ALA 38 HB1 ALA 38 2.190 9.614 7.320 300 2HB ALA 38 HB2 ALA 38 1.600 8.593 6.008 301 3HB ALA 38 HB3 ALA 38 0.479 9.617 6.883 302 H GLY 39 HN GLY 39 2.480 9.808 3.199 303 1HA GLY 39 HA2 GLY 39 4.569 10.568 2.179 304 2HA GLY 39 HA1 GLY 39 5.317 10.393 3.763 305 H LYS 40 HN LYS 40 3.922 7.919 4.367 306 HA LYS 40 HA LYS 40 5.843 6.175 3.042 307 1HB LYS 40 HB2 LYS 40 5.505 6.120 5.518 308 2HB LYS 40 HB1 LYS 40 3.890 5.488 5.238 309 1HG LYS 40 HG2 LYS 40 4.820 3.473 5.382 310 2HG LYS 40 HG1 LYS 40 5.458 3.770 3.766 311 1HD LYS 40 HD2 LYS 40 6.839 4.346 6.385 312 2HD LYS 40 HD1 LYS 40 7.220 3.030 5.264 313 1HE LYS 40 HE2 LYS 40 7.809 4.706 3.558 314 2HE LYS 40 HE1 LYS 40 7.466 5.980 4.712 315 1HZ LYS 40 HZ1 LYS 40 9.804 5.590 4.658 316 2HZ LYS 40 HZ2 LYS 40 9.585 3.939 4.910 317 3HZ LYS 40 HZ3 LYS 40 9.214 5.027 6.148 318 H SER 41 HN SER 41 5.364 5.056 1.336 319 HA SER 41 HA SER 41 2.631 4.018 1.015 320 1HB SER 41 HB2 SER 41 4.544 4.857 -1.189 321 2HB SER 41 HB1 SER 41 2.947 4.131 -1.439 322 HG SER 41 HG SER 41 2.577 6.158 0.185 323 H GLY 42 HN GLY 42 2.431 1.929 0.045 324 1HA GLY 42 HA2 GLY 42 4.392 0.243 -0.855 325 2HA GLY 42 HA1 GLY 42 4.473 0.112 0.903 326 H LEU 43 HN LEU 43 3.885 -2.198 0.059 327 HA LEU 43 HA LEU 43 1.227 -2.643 -0.809 328 1HB LEU 43 HB2 LEU 43 3.026 -4.596 0.623 329 2HB LEU 43 HB1 LEU 43 1.622 -4.982 -0.331 330 HG LEU 43 HG LEU 43 4.257 -3.922 -1.301 331 1HD1 LEU 43 HD11 LEU 43 2.736 -6.450 -1.969 332 2HD1 LEU 43 HD12 LEU 43 4.117 -6.341 -0.866 333 3HD1 LEU 43 HD13 LEU 43 4.323 -5.963 -2.586 334 1HD2 LEU 43 HD21 LEU 43 1.712 -4.331 -2.871 335 2HD2 LEU 43 HD22 LEU 43 3.301 -3.934 -3.547 336 3HD2 LEU 43 HD23 LEU 43 2.474 -2.780 -2.504 337 H LYS 44 HN LYS 44 -0.199 -4.252 0.606 338 HA LYS 44 HA LYS 44 -1.271 -2.759 2.670 339 1HB LYS 44 HB2 LYS 44 -2.415 -4.589 1.419 340 2HB LYS 44 HB1 LYS 44 -1.423 -5.757 2.289 341 1HG LYS 44 HG2 LYS 44 -2.446 -4.819 4.424 342 2HG LYS 44 HG1 LYS 44 -3.579 -3.975 3.370 343 1HD LYS 44 HD2 LYS 44 -3.167 -6.958 3.545 344 2HD LYS 44 HD1 LYS 44 -4.551 -6.044 4.154 345 1HE LYS 44 HE2 LYS 44 -5.181 -5.421 1.913 346 2HE LYS 44 HE1 LYS 44 -3.721 -6.164 1.256 347 1HZ LYS 44 HZ1 LYS 44 -5.936 -7.605 2.608 348 2HZ LYS 44 HZ2 LYS 44 -4.519 -8.332 2.009 349 3HZ LYS 44 HZ3 LYS 44 -5.622 -7.594 0.944 350 H LYS 45 HN LYS 45 1.052 -5.372 2.754 351 HA LYS 45 HA LYS 45 1.119 -5.806 5.495 352 1HB LYS 45 HB2 LYS 45 3.125 -6.275 3.303 353 2HB LYS 45 HB1 LYS 45 3.481 -6.673 4.971 354 1HG LYS 45 HG2 LYS 45 2.733 -8.622 3.745 355 2HG LYS 45 HG1 LYS 45 1.587 -8.221 5.018 356 1HD LYS 45 HD2 LYS 45 0.320 -8.754 3.094 357 2HD LYS 45 HD1 LYS 45 0.271 -7.001 3.287 358 1HE LYS 45 HE2 LYS 45 0.591 -7.612 0.955 359 2HE LYS 45 HE1 LYS 45 1.995 -6.751 1.599 360 1HZ LYS 45 HZ1 LYS 45 2.487 -8.736 0.176 361 2HZ LYS 45 HZ2 LYS 45 1.860 -9.694 1.422 362 3HZ LYS 45 HZ3 LYS 45 3.235 -8.740 1.697 363 H ASP 46 HN ASP 46 2.982 -3.670 3.416 364 HA ASP 46 HA ASP 46 4.777 -2.827 5.406 365 1HB ASP 46 HB2 ASP 46 4.020 -1.422 2.830 366 2HB ASP 46 HB1 ASP 46 5.416 -1.057 3.821 367 H CYS 47 HN CYS 47 1.715 -1.686 4.218 368 HA CYS 47 HA CYS 47 1.758 0.825 5.541 369 1HB CYS 47 HB2 CYS 47 -0.226 -0.781 3.987 370 2HB CYS 47 HB1 CYS 47 -0.767 0.628 4.881 371 HG CYS 47 HG CYS 47 1.073 0.442 2.064 372 H LEU 48 HN LEU 48 0.109 -2.225 6.011 373 HA LEU 48 HA LEU 48 -1.430 -1.529 8.240 374 1HB LEU 48 HB2 LEU 48 -1.704 -3.483 6.751 375 2HB LEU 48 HB1 LEU 48 -0.274 -4.206 7.462 376 HG LEU 48 HG LEU 48 -1.426 -4.301 9.647 377 1HD1 LEU 48 HD11 LEU 48 -3.846 -3.970 9.703 378 2HD1 LEU 48 HD12 LEU 48 -3.835 -3.402 8.031 379 3HD1 LEU 48 HD13 LEU 48 -3.022 -2.462 9.287 380 1HD2 LEU 48 HD21 LEU 48 -1.368 -6.172 8.144 381 2HD2 LEU 48 HD22 LEU 48 -2.792 -5.580 7.303 382 3HD2 LEU 48 HD23 LEU 48 -2.927 -6.125 8.970 383 H ALA 49 HN ALA 49 1.686 -3.171 8.015 384 HA ALA 49 HA ALA 49 2.245 -3.421 10.713 385 1HB ALA 49 HB1 ALA 49 3.604 -4.472 8.979 386 2HB ALA 49 HB2 ALA 49 4.585 -3.578 10.133 387 3HB ALA 49 HB3 ALA 49 4.257 -2.895 8.547 388 H TYR 50 HN TYR 50 2.713 -0.705 8.543 389 HA TYR 50 HA TYR 50 4.203 0.963 10.174 390 1HB TYR 50 HB2 TYR 50 3.741 1.391 7.782 391 2HB TYR 50 HB1 TYR 50 2.071 1.829 8.194 392 HD1 TYR 50 HD1 TYR 50 5.552 2.911 8.144 393 HD2 TYR 50 HD2 TYR 50 1.636 3.894 9.480 394 HE1 TYR 50 HE1 TYR 50 6.257 5.249 8.459 395 HE2 TYR 50 HE2 TYR 50 2.338 6.220 9.819 396 HH TYR 50 HH TYR 50 4.507 7.460 10.248 397 H ILE 51 HN ILE 51 0.665 0.584 10.009 398 HA ILE 51 HA ILE 51 0.146 2.697 11.854 399 HB ILE 51 HB ILE 51 -1.548 0.496 10.685 400 1HG1 ILE 51 HG12 ILE 51 -2.905 2.440 9.950 401 2HG1 ILE 51 HG11 ILE 51 -1.743 3.519 10.729 402 1HG2 ILE 51 HG21 ILE 51 -2.234 0.611 13.021 403 2HG2 ILE 51 HG22 ILE 51 -3.476 1.260 11.965 404 3HG2 ILE 51 HG23 ILE 51 -2.451 2.350 12.889 405 1HD1 ILE 51 HD11 ILE 51 -0.017 2.686 9.188 406 2HD1 ILE 51 HD12 ILE 51 -1.367 3.440 8.355 407 3HD1 ILE 51 HD13 ILE 51 -1.231 1.682 8.400 408 H GLU 52 HN GLU 52 0.668 -0.744 12.124 409 HA GLU 52 HA GLU 52 -0.085 -1.113 14.789 410 1HB GLU 52 HB2 GLU 52 0.622 -2.797 12.900 411 2HB GLU 52 HB1 GLU 52 2.227 -2.591 13.578 412 1HG GLU 52 HG2 GLU 52 1.154 -4.540 14.515 413 2HG GLU 52 HG1 GLU 52 1.411 -3.321 15.753 414 H GLU 53 HN GLU 53 3.024 -0.184 13.380 415 HA GLU 53 HA GLU 53 4.739 -0.349 15.422 416 1HB GLU 53 HB2 GLU 53 4.620 1.957 13.518 417 2HB GLU 53 HB1 GLU 53 5.997 1.540 14.515 418 1HG GLU 53 HG2 GLU 53 4.780 -0.256 12.452 419 2HG GLU 53 HG1 GLU 53 6.191 0.760 12.194 420 H VAL 54 HN VAL 54 3.120 3.202 16.747 421 HA VAL 54 HA VAL 54 2.778 2.260 13.991 422 HB VAL 54 HB VAL 54 0.712 3.021 14.884 423 1HG1 VAL 54 HG11 VAL 54 2.090 5.532 15.772 424 2HG1 VAL 54 HG12 VAL 54 1.609 4.209 16.819 425 3HG1 VAL 54 HG13 VAL 54 0.373 5.171 15.978 426 1HG2 VAL 54 HG21 VAL 54 1.736 5.388 13.338 427 2HG2 VAL 54 HG22 VAL 54 0.067 4.812 13.444 428 3HG2 VAL 54 HG23 VAL 54 1.276 3.856 12.598 429 H TRP 55 HN TRP 55 4.098 4.987 15.849 430 HA TRP 55 HA TRP 55 5.797 5.661 13.605 431 1HB TRP 55 HB2 TRP 55 3.756 7.122 13.527 432 2HB TRP 55 HB1 TRP 55 4.146 7.693 15.158 433 HD1 TRP 55 HD1 TRP 55 5.934 7.616 11.692 434 HE1 TRP 55 HE1 TRP 55 7.220 9.834 11.442 435 HE3 TRP 55 HE3 TRP 55 4.848 9.670 16.232 436 HZ2 TRP 55 HZ2 TRP 55 7.695 12.158 12.976 437 HZ3 TRP 55 HZ3 TRP 55 5.762 11.894 16.764 438 HH2 TRP 55 HH2 TRP 55 7.150 13.108 15.163 439 H THR 56 HN THR 56 5.951 4.303 16.242 440 HA THR 56 HA THR 56 7.784 6.143 17.648 441 HB THR 56 HB THR 56 7.163 4.886 19.743 442 HG1 THR 56 HG1 THR 56 4.747 4.046 18.812 443 1HG2 THR 56 HG21 THR 56 5.038 6.042 20.079 444 2HG2 THR 56 HG22 THR 56 4.906 6.318 18.343 445 3HG2 THR 56 HG23 THR 56 6.195 7.085 19.272 446 H ASP 57 HN ASP 57 7.447 3.259 15.982 447 HA ASP 57 HA ASP 57 8.858 1.581 15.425 448 1HB ASP 57 HB2 ASP 57 10.607 3.317 15.356 449 2HB ASP 57 HB1 ASP 57 10.920 3.046 17.081 450 H MET 58 HN MET 58 9.588 2.395 18.829 451 HA MET 58 HA MET 58 10.015 -0.384 19.407 452 1HB MET 58 HB2 MET 58 10.522 0.414 21.717 453 2HB MET 58 HB1 MET 58 11.502 1.144 20.457 454 1HG MET 58 HG2 MET 58 10.141 3.159 20.553 455 2HG MET 58 HG1 MET 58 9.121 2.421 21.786 456 1HE MET 58 HE1 MET 58 13.573 3.496 22.414 457 2HE MET 58 HE2 MET 58 12.664 3.947 20.965 458 3HE MET 58 HE3 MET 58 13.023 2.250 21.298 459 H ARG 59 HN ARG 59 8.035 -1.319 19.034 460 HA ARG 59 HA ARG 59 6.423 -1.432 21.409 461 1HB ARG 59 HB2 ARG 59 5.309 0.403 20.269 462 2HB ARG 59 HB1 ARG 59 5.159 -0.544 18.808 463 1HG ARG 59 HG2 ARG 59 3.034 -0.489 19.947 464 2HG ARG 59 HG1 ARG 59 3.698 -2.127 20.007 465 1HD ARG 59 HD2 ARG 59 2.881 -1.720 22.194 466 2HD ARG 59 HD1 ARG 59 4.633 -1.503 22.295 467 HE ARG 59 HE ARG 59 2.866 0.816 21.958 468 1HH1 ARG 59 HH11 ARG 59 5.358 -0.898 23.706 469 2HH1 ARG 59 HH12 ARG 59 5.613 0.360 24.862 470 1HH2 ARG 59 HH21 ARG 59 3.145 2.482 23.491 471 2HH2 ARG 59 HH22 ARG 59 4.329 2.280 24.759 472 HA PRO 60 HA PRO 60 6.901 -5.540 19.569 473 1HB PRO 60 HB2 PRO 60 6.319 -6.445 22.289 474 2HB PRO 60 HB1 PRO 60 7.751 -6.701 21.280 475 1HG PRO 60 HG2 PRO 60 7.772 -5.085 23.476 476 2HG PRO 60 HG1 PRO 60 8.789 -4.801 22.049 477 1HD PRO 60 HD2 PRO 60 6.227 -3.479 22.827 478 2HD PRO 60 HD1 PRO 60 7.698 -2.769 22.116 479 H LEU 61 HN LEU 61 5.426 -7.179 19.103 480 HA LEU 61 HA LEU 61 2.659 -6.417 19.342 481 1HB LEU 61 HB2 LEU 61 4.022 -8.743 18.011 482 2HB LEU 61 HB1 LEU 61 2.291 -8.463 17.957 483 HG LEU 61 HG LEU 61 4.432 -6.669 16.813 484 1HD1 LEU 61 HD11 LEU 61 3.470 -7.259 14.674 485 2HD1 LEU 61 HD12 LEU 61 2.275 -8.296 15.470 486 3HD1 LEU 61 HD13 LEU 61 3.987 -8.711 15.533 487 1HD2 LEU 61 HD21 LEU 61 1.437 -6.360 16.809 488 2HD2 LEU 61 HD22 LEU 61 2.588 -5.309 15.973 489 3HD2 LEU 61 HD23 LEU 61 2.565 -5.390 17.740 490 H SER 62 HN SER 62 4.744 -8.125 21.309 491 HA SER 62 HA SER 62 3.223 -10.346 22.058 492 1HB SER 62 HB2 SER 62 4.620 -10.096 24.222 493 2HB SER 62 HB1 SER 62 5.470 -10.379 22.691 494 HG SER 62 HG SER 62 6.542 -8.679 23.437 495 H LEU 63 HN LEU 63 3.568 -7.242 23.767 496 HA LEU 63 HA LEU 63 1.368 -7.762 25.505 497 1HB LEU 63 HB2 LEU 63 1.541 -5.411 26.172 498 2HB LEU 63 HB1 LEU 63 3.107 -6.207 26.196 499 HG LEU 63 HG LEU 63 2.252 -4.569 23.823 500 1HD1 LEU 63 HD11 LEU 63 3.549 -3.506 26.342 501 2HD1 LEU 63 HD12 LEU 63 1.924 -3.131 25.749 502 3HD1 LEU 63 HD13 LEU 63 3.322 -2.620 24.833 503 1HD2 LEU 63 HD21 LEU 63 4.236 -5.960 23.616 504 2HD2 LEU 63 HD22 LEU 63 4.943 -5.197 25.030 505 3HD2 LEU 63 HD23 LEU 63 4.665 -4.250 23.571 506 H ARG 64 HN ARG 64 1.744 -6.208 22.416 507 HA ARG 64 HA ARG 64 -0.664 -4.821 22.228 508 1HB ARG 64 HB2 ARG 64 1.181 -4.523 20.666 509 2HB ARG 64 HB1 ARG 64 0.999 -6.182 20.092 510 1HG ARG 64 HG2 ARG 64 -1.254 -4.253 19.815 511 2HG ARG 64 HG1 ARG 64 0.094 -4.202 18.678 512 1HD ARG 64 HD2 ARG 64 -0.305 -6.697 18.335 513 2HD ARG 64 HD1 ARG 64 -1.816 -6.469 19.225 514 HE ARG 64 HE ARG 64 -1.453 -4.693 16.988 515 1HH1 ARG 64 HH11 ARG 64 -2.810 -7.676 18.178 516 2HH1 ARG 64 HH12 ARG 64 -3.793 -7.938 16.789 517 1HH2 ARG 64 HH21 ARG 64 -2.760 -4.987 15.160 518 2HH2 ARG 64 HH22 ARG 64 -3.817 -6.379 15.067 519 H GLN 65 HN GLN 65 0.114 -8.156 21.236 520 HA GLN 65 HA GLN 65 -2.601 -8.653 20.444 521 1HB GLN 65 HB2 GLN 65 -0.283 -10.579 20.695 522 2HB GLN 65 HB1 GLN 65 -1.820 -10.912 19.893 523 1HG GLN 65 HG2 GLN 65 -1.354 -9.170 18.259 524 2HG GLN 65 HG1 GLN 65 0.170 -8.816 19.055 525 1HE2 GLN 65 HE21 GLN 65 1.846 -10.351 18.958 526 2HE2 GLN 65 HE22 GLN 65 1.904 -11.534 17.676 527 H HIS 66 HN HIS 66 -0.760 -8.964 23.313 528 HA HIS 66 HA HIS 66 -2.337 -10.979 24.570 529 1HB HIS 66 HB2 HIS 66 -0.037 -10.321 25.283 530 2HB HIS 66 HB1 HIS 66 -0.704 -8.802 25.894 531 HD1 HIS 66 HD1 HIS 66 -1.228 -8.808 28.303 532 HD2 HIS 66 HD2 HIS 66 -1.400 -12.633 26.641 533 HE1 HIS 66 HE1 HIS 66 -1.702 -10.360 30.220 534 HE2 HIS 66 HE2 HIS 66 -1.865 -12.660 29.190 535 H MET 67 HN MET 67 -2.910 -7.680 23.873 536 HA MET 67 HA MET 67 -4.677 -7.083 26.012 537 1HB MET 67 HB2 MET 67 -4.502 -5.915 23.227 538 2HB MET 67 HB1 MET 67 -5.513 -5.268 24.529 539 1HG MET 67 HG2 MET 67 -2.518 -5.490 24.555 540 2HG MET 67 HG1 MET 67 -3.450 -4.031 24.293 541 1HE MET 67 HE1 MET 67 -2.142 -2.759 26.251 542 2HE MET 67 HE2 MET 67 -1.179 -4.223 26.429 543 3HE MET 67 HE3 MET 67 -1.896 -3.464 27.860 544 H ASP 68 HN ASP 68 -5.011 -8.938 23.140 545 HA ASP 68 HA ASP 68 -7.883 -8.818 23.085 546 1HB ASP 68 HB2 ASP 68 -6.480 -9.042 21.013 547 2HB ASP 68 HB1 ASP 68 -6.058 -10.672 21.542 548 H LYS 69 HN LYS 69 -9.254 -10.375 23.839 549 HA LYS 69 HA LYS 69 -8.379 -11.995 25.970 550 1HB LYS 69 HB2 LYS 69 -10.997 -11.827 24.462 551 2HB LYS 69 HB1 LYS 69 -10.748 -12.966 25.792 552 1HG LYS 69 HG2 LYS 69 -10.467 -9.966 25.973 553 2HG LYS 69 HG1 LYS 69 -11.860 -10.904 26.522 554 1HD LYS 69 HD2 LYS 69 -10.248 -12.181 28.011 555 2HD LYS 69 HD1 LYS 69 -9.053 -10.948 27.611 556 1HE LYS 69 HE2 LYS 69 -10.184 -10.481 29.736 557 2HE LYS 69 HE1 LYS 69 -10.464 -9.214 28.540 558 1HZ LYS 69 HZ1 LYS 69 -12.641 -10.006 28.136 559 2HZ LYS 69 HZ2 LYS 69 -12.466 -9.952 29.823 560 3HZ LYS 69 HZ3 LYS 69 -12.379 -11.435 29.011 561 H ALA 70 HN ALA 70 -7.292 -13.754 25.886 562 HA ALA 70 HA ALA 70 -7.940 -15.740 23.795 563 1HB ALA 70 HB1 ALA 70 -5.700 -14.813 23.450 564 2HB ALA 70 HB2 ALA 70 -5.625 -16.526 23.907 565 3HB ALA 70 HB3 ALA 70 -5.262 -15.270 25.100 566 H ALA 71 HN ALA 71 -9.383 -16.927 24.953 567 HA ALA 71 HA ALA 71 -8.286 -18.531 27.112 568 1HB ALA 71 HB1 ALA 71 -9.184 -16.618 28.322 569 2HB ALA 71 HB2 ALA 71 -10.151 -18.058 28.656 570 3HB ALA 71 HB3 ALA 71 -10.751 -16.822 27.539 571 H GLY 72 HN GLY 72 -8.593 -20.436 26.169 572 1HA GLY 72 HA2 GLY 72 -11.153 -21.602 26.017 573 2HA GLY 72 HA1 GLY 72 -10.665 -21.125 24.399 Start of MODEL 10 1 1H MET 1 HT1 MET 1 1.601 -19.784 -19.035 2 2H MET 1 HT2 MET 1 1.247 -21.116 -20.012 3 3H MET 1 HT3 MET 1 1.647 -21.359 -18.388 4 HA MET 1 HA MET 1 -0.778 -20.009 -19.420 5 1HB MET 1 HB2 MET 1 -0.736 -22.483 -19.645 6 2HB MET 1 HB1 MET 1 -0.447 -22.619 -17.916 7 1HG MET 1 HG2 MET 1 -2.753 -23.020 -18.317 8 2HG MET 1 HG1 MET 1 -2.623 -21.464 -17.528 9 1HE MET 1 HE1 MET 1 -1.923 -22.531 -21.231 10 2HE MET 1 HE2 MET 1 -3.408 -22.026 -22.037 11 3HE MET 1 HE3 MET 1 -3.447 -23.348 -20.886 12 H THR 2 HN THR 2 -0.684 -18.192 -18.149 13 HA THR 2 HA THR 2 -1.083 -18.665 -15.280 14 HB THR 2 HB THR 2 0.846 -16.581 -16.302 15 HG1 THR 2 HG1 THR 2 1.286 -19.105 -15.063 16 1HG2 THR 2 HG21 THR 2 0.151 -17.470 -13.520 17 2HG2 THR 2 HG22 THR 2 -0.249 -15.908 -14.242 18 3HG2 THR 2 HG23 THR 2 1.439 -16.329 -13.917 19 H SER 3 HN SER 3 -2.979 -17.803 -14.811 20 HA SER 3 HA SER 3 -3.658 -15.187 -15.992 21 1HB SER 3 HB2 SER 3 -5.551 -17.379 -15.064 22 2HB SER 3 HB1 SER 3 -6.006 -15.827 -15.749 23 HG SER 3 HG SER 3 -4.904 -18.068 -17.004 24 H VAL 4 HN VAL 4 -4.094 -13.562 -14.619 25 HA VAL 4 HA VAL 4 -3.689 -14.075 -11.800 26 HB VAL 4 HB VAL 4 -2.592 -12.107 -12.791 27 1HG1 VAL 4 HG11 VAL 4 -3.894 -10.170 -13.500 28 2HG1 VAL 4 HG12 VAL 4 -5.369 -11.091 -13.270 29 3HG1 VAL 4 HG13 VAL 4 -4.215 -11.579 -14.513 30 1HG2 VAL 4 HG21 VAL 4 -4.718 -11.369 -10.787 31 2HG2 VAL 4 HG22 VAL 4 -3.282 -10.415 -11.157 32 3HG2 VAL 4 HG23 VAL 4 -3.118 -12.009 -10.437 33 H PHE 5 HN PHE 5 -6.260 -13.144 -13.948 34 HA PHE 5 HA PHE 5 -8.518 -13.102 -13.765 35 1HB PHE 5 HB2 PHE 5 -7.984 -14.597 -11.200 36 2HB PHE 5 HB1 PHE 5 -9.597 -14.286 -11.840 37 HD1 PHE 5 HD1 PHE 5 -6.957 -16.597 -11.758 38 HD2 PHE 5 HD2 PHE 5 -9.933 -15.010 -14.342 39 HE1 PHE 5 HE1 PHE 5 -6.848 -18.643 -13.151 40 HE2 PHE 5 HE2 PHE 5 -9.824 -17.046 -15.736 41 HZ PHE 5 HZ PHE 5 -8.259 -18.846 -15.153 42 H ASP 6 HN ASP 6 -7.543 -12.665 -10.410 43 HA ASP 6 HA ASP 6 -9.479 -10.581 -10.008 44 1HB ASP 6 HB2 ASP 6 -7.373 -11.715 -8.174 45 2HB ASP 6 HB1 ASP 6 -8.607 -10.566 -7.696 46 H ARG 7 HN ARG 7 -8.413 -8.787 -8.371 47 HA ARG 7 HA ARG 7 -6.322 -7.517 -9.990 48 1HB ARG 7 HB2 ARG 7 -8.590 -6.264 -8.440 49 2HB ARG 7 HB1 ARG 7 -7.271 -5.343 -9.147 50 1HG ARG 7 HG2 ARG 7 -9.111 -7.076 -10.767 51 2HG ARG 7 HG1 ARG 7 -9.397 -5.366 -10.454 52 1HD ARG 7 HD2 ARG 7 -8.320 -5.291 -12.496 53 2HD ARG 7 HD1 ARG 7 -6.973 -5.079 -11.375 54 HE ARG 7 HE ARG 7 -7.611 -7.751 -12.432 55 1HH1 ARG 7 HH11 ARG 7 -5.371 -5.108 -11.981 56 2HH1 ARG 7 HH12 ARG 7 -4.024 -5.940 -12.727 57 1HH2 ARG 7 HH21 ARG 7 -5.867 -8.844 -13.422 58 2HH2 ARG 7 HH22 ARG 7 -4.314 -8.062 -13.558 59 H ASP 8 HN ASP 8 -4.483 -7.854 -8.904 60 HA ASP 8 HA ASP 8 -4.407 -7.432 -5.994 61 1HB ASP 8 HB2 ASP 8 -3.291 -9.459 -7.213 62 2HB ASP 8 HB1 ASP 8 -2.060 -8.290 -7.688 63 H ASP 9 HN ASP 9 -1.531 -6.703 -6.222 64 HA ASP 9 HA ASP 9 -0.278 -4.819 -6.198 65 1HB ASP 9 HB2 ASP 9 0.040 -3.714 -8.370 66 2HB ASP 9 HB1 ASP 9 0.048 -5.466 -8.521 67 H ILE 10 HN ILE 10 -2.766 -4.436 -4.972 68 HA ILE 10 HA ILE 10 -4.065 -2.062 -5.891 69 HB ILE 10 HB ILE 10 -5.313 -3.697 -4.645 70 1HG1 ILE 10 HG12 ILE 10 -4.990 -1.211 -2.970 71 2HG1 ILE 10 HG11 ILE 10 -5.956 -1.303 -4.446 72 1HG2 ILE 10 HG21 ILE 10 -3.532 -4.621 -3.267 73 2HG2 ILE 10 HG22 ILE 10 -4.912 -4.158 -2.280 74 3HG2 ILE 10 HG23 ILE 10 -3.468 -3.134 -2.328 75 1HD1 ILE 10 HD11 ILE 10 -7.424 -2.937 -3.385 76 2HD1 ILE 10 HD12 ILE 10 -7.344 -1.433 -2.459 77 3HD1 ILE 10 HD13 ILE 10 -6.450 -2.859 -1.907 78 H GLN 11 HN GLN 11 -1.346 -2.722 -4.036 79 HA GLN 11 HA GLN 11 -0.112 -1.682 -2.408 80 1HB GLN 11 HB2 GLN 11 -0.644 0.437 -4.448 81 2HB GLN 11 HB1 GLN 11 0.482 0.663 -3.108 82 1HG GLN 11 HG2 GLN 11 1.845 -1.163 -3.860 83 2HG GLN 11 HG1 GLN 11 0.689 -1.575 -5.122 84 1HE2 GLN 11 HE21 GLN 11 3.178 0.605 -4.112 85 2HE2 GLN 11 HE22 GLN 11 3.383 1.417 -5.633 86 H PHE 12 HN PHE 12 -0.121 -0.599 -0.488 87 HA PHE 12 HA PHE 12 -2.515 1.023 0.026 88 1HB PHE 12 HB2 PHE 12 -1.207 -1.065 1.682 89 2HB PHE 12 HB1 PHE 12 -2.041 0.255 2.484 90 HD1 PHE 12 HD1 PHE 12 -2.496 -2.472 0.024 91 HD2 PHE 12 HD2 PHE 12 -4.371 0.298 2.660 92 HE1 PHE 12 HE1 PHE 12 -4.649 -3.615 -0.305 93 HE2 PHE 12 HE2 PHE 12 -6.524 -0.830 2.336 94 HZ PHE 12 HZ PHE 12 -6.658 -2.786 0.847 95 H GLN 13 HN GLN 13 -2.315 2.732 1.456 96 HA GLN 13 HA GLN 13 0.382 3.673 2.105 97 1HB GLN 13 HB2 GLN 13 -0.286 5.957 1.345 98 2HB GLN 13 HB1 GLN 13 -0.158 4.791 0.032 99 1HG GLN 13 HG2 GLN 13 -2.604 4.496 0.122 100 2HG GLN 13 HG1 GLN 13 -2.691 5.772 1.343 101 1HE2 GLN 13 HE21 GLN 13 -3.855 5.593 -1.334 102 2HE2 GLN 13 HE22 GLN 13 -3.299 6.991 -2.187 103 H VAL 14 HN VAL 14 0.375 5.186 3.918 104 HA VAL 14 HA VAL 14 -1.934 4.707 5.640 105 HB VAL 14 HB VAL 14 0.672 6.070 6.371 106 1HG1 VAL 14 HG11 VAL 14 -1.446 4.766 8.070 107 2HG1 VAL 14 HG12 VAL 14 -1.153 6.500 7.911 108 3HG1 VAL 14 HG13 VAL 14 0.065 5.469 8.655 109 1HG2 VAL 14 HG21 VAL 14 -0.040 3.154 6.568 110 2HG2 VAL 14 HG22 VAL 14 1.369 3.912 7.318 111 3HG2 VAL 14 HG23 VAL 14 1.210 3.873 5.566 112 H VAL 15 HN VAL 15 -3.457 6.269 5.936 113 HA VAL 15 HA VAL 15 -2.657 9.032 5.299 114 HB VAL 15 HB VAL 15 -5.000 9.494 4.746 115 1HG1 VAL 15 HG11 VAL 15 -5.091 8.353 2.618 116 2HG1 VAL 15 HG12 VAL 15 -3.941 7.150 3.195 117 3HG1 VAL 15 HG13 VAL 15 -3.426 8.829 2.976 118 1HG2 VAL 15 HG21 VAL 15 -6.094 7.833 6.146 119 2HG2 VAL 15 HG22 VAL 15 -5.442 6.536 5.148 120 3HG2 VAL 15 HG23 VAL 15 -6.611 7.672 4.469 121 H VAL 16 HN VAL 16 -3.404 10.638 6.660 122 HA VAL 16 HA VAL 16 -4.484 9.707 9.225 123 HB VAL 16 HB VAL 16 -2.006 9.987 9.330 124 1HG1 VAL 16 HG11 VAL 16 -1.713 11.846 7.799 125 2HG1 VAL 16 HG12 VAL 16 -1.084 12.274 9.391 126 3HG1 VAL 16 HG13 VAL 16 -2.651 12.892 8.875 127 1HG2 VAL 16 HG21 VAL 16 -3.337 10.128 11.329 128 2HG2 VAL 16 HG22 VAL 16 -3.635 11.844 11.036 129 3HG2 VAL 16 HG23 VAL 16 -2.001 11.279 11.422 130 H ASN 17 HN ASN 17 -5.802 11.111 10.284 131 HA ASN 17 HA ASN 17 -6.680 13.510 8.848 132 1HB ASN 17 HB2 ASN 17 -8.381 11.877 9.757 133 2HB ASN 17 HB1 ASN 17 -7.809 12.279 11.387 134 1HD2 ASN 17 HD21 ASN 17 -9.891 13.014 11.939 135 2HD2 ASN 17 HD22 ASN 17 -10.472 14.540 11.386 136 H HIS 18 HN HIS 18 -6.884 15.533 10.199 137 HA HIS 18 HA HIS 18 -4.353 15.977 11.457 138 1HB HIS 18 HB2 HIS 18 -5.791 17.605 10.040 139 2HB HIS 18 HB1 HIS 18 -6.584 17.967 11.569 140 HD1 HIS 18 HD1 HIS 18 -5.666 20.373 11.625 141 HD2 HIS 18 HD2 HIS 18 -2.742 17.410 11.519 142 HE1 HIS 18 HE1 HIS 18 -3.490 21.538 12.135 143 HE2 HIS 18 HE2 HIS 18 -1.777 19.691 12.259 144 H GLU 19 HN GLU 19 -6.642 14.297 12.720 145 HA GLU 19 HA GLU 19 -6.399 15.407 15.422 146 1HB GLU 19 HB2 GLU 19 -8.172 13.816 16.009 147 2HB GLU 19 HB1 GLU 19 -8.699 14.890 14.709 148 1HG GLU 19 HG2 GLU 19 -8.443 13.194 13.088 149 2HG GLU 19 HG1 GLU 19 -7.573 12.139 14.223 150 H GLU 20 HN GLU 20 -4.661 13.686 13.452 151 HA GLU 20 HA GLU 20 -2.992 12.169 13.612 152 1HB GLU 20 HB2 GLU 20 -2.835 13.419 15.910 153 2HB GLU 20 HB1 GLU 20 -3.396 11.879 16.558 154 1HG GLU 20 HG2 GLU 20 -0.981 12.048 16.619 155 2HG GLU 20 HG1 GLU 20 -1.502 10.760 15.544 156 H GLN 21 HN GLN 21 -5.597 11.311 13.005 157 HA GLN 21 HA GLN 21 -5.783 8.680 14.277 158 1HB GLN 21 HB2 GLN 21 -7.890 9.898 14.149 159 2HB GLN 21 HB1 GLN 21 -7.679 10.153 12.420 160 1HG GLN 21 HG2 GLN 21 -7.764 7.655 12.157 161 2HG GLN 21 HG1 GLN 21 -8.236 7.575 13.848 162 1HE2 GLN 21 HE21 GLN 21 -9.830 9.995 13.754 163 2HE2 GLN 21 HE22 GLN 21 -11.262 9.585 12.874 164 H TYR 22 HN TYR 22 -4.781 7.057 13.280 165 HA TYR 22 HA TYR 22 -3.860 7.420 10.537 166 1HB TYR 22 HB2 TYR 22 -3.250 5.187 12.503 167 2HB TYR 22 HB1 TYR 22 -2.429 5.476 10.950 168 HD1 TYR 22 HD1 TYR 22 -2.429 6.141 14.447 169 HD2 TYR 22 HD2 TYR 22 -1.262 7.756 10.680 170 HE1 TYR 22 HE1 TYR 22 -0.866 7.647 15.591 171 HE2 TYR 22 HE2 TYR 22 0.334 9.259 11.816 172 HH TYR 22 HH TYR 22 0.479 10.306 14.182 173 H SER 23 HN SER 23 -4.591 6.347 8.810 174 HA SER 23 HA SER 23 -6.125 3.886 9.157 175 1HB SER 23 HB2 SER 23 -7.741 5.809 8.987 176 2HB SER 23 HB1 SER 23 -7.084 6.134 7.373 177 HG SER 23 HG SER 23 -8.982 4.834 7.347 178 H ILE 24 HN ILE 24 -6.548 2.968 6.798 179 HA ILE 24 HA ILE 24 -4.059 3.345 5.294 180 HB ILE 24 HB ILE 24 -4.227 1.009 4.551 181 1HG1 ILE 24 HG12 ILE 24 -6.549 0.838 6.496 182 2HG1 ILE 24 HG11 ILE 24 -6.684 0.740 4.743 183 1HG2 ILE 24 HG21 ILE 24 -4.266 1.348 7.540 184 2HG2 ILE 24 HG22 ILE 24 -2.867 1.530 6.484 185 3HG2 ILE 24 HG23 ILE 24 -3.636 -0.053 6.677 186 1HD1 ILE 24 HD11 ILE 24 -5.218 -1.212 6.503 187 2HD1 ILE 24 HD12 ILE 24 -5.380 -1.315 4.747 188 3HD1 ILE 24 HD13 ILE 24 -6.812 -1.444 5.785 189 H TRP 25 HN TRP 25 -4.192 3.383 3.044 190 HA TRP 25 HA TRP 25 -6.880 3.383 1.858 191 1HB TRP 25 HB2 TRP 25 -6.135 5.725 2.636 192 2HB TRP 25 HB1 TRP 25 -4.922 5.643 1.373 193 HD1 TRP 25 HD1 TRP 25 -5.672 6.263 -1.027 194 HE1 TRP 25 HE1 TRP 25 -7.895 7.019 -2.076 195 HE3 TRP 25 HE3 TRP 25 -8.803 5.298 2.893 196 HZ2 TRP 25 HZ2 TRP 25 -10.617 7.173 -1.356 197 HZ3 TRP 25 HZ3 TRP 25 -11.193 5.769 2.638 198 HH2 TRP 25 HH2 TRP 25 -12.074 6.696 0.549 199 HA PRO 26 HA PRO 26 -4.659 1.299 -1.429 200 1HB PRO 26 HB2 PRO 26 -6.759 2.405 -3.203 201 2HB PRO 26 HB1 PRO 26 -6.318 0.709 -2.904 202 1HG PRO 26 HG2 PRO 26 -8.580 1.759 -1.920 203 2HG PRO 26 HG1 PRO 26 -7.631 0.575 -1.004 204 1HD PRO 26 HD2 PRO 26 -7.795 3.522 -0.663 205 2HD PRO 26 HD1 PRO 26 -7.735 2.256 0.566 206 H GLU 27 HN GLU 27 -3.100 1.867 -2.879 207 HA GLU 27 HA GLU 27 -2.346 4.583 -2.969 208 1HB GLU 27 HB2 GLU 27 -0.656 2.901 -2.961 209 2HB GLU 27 HB1 GLU 27 -1.344 2.125 -4.392 210 1HG GLU 27 HG2 GLU 27 0.609 3.237 -5.097 211 2HG GLU 27 HG1 GLU 27 -0.749 4.243 -5.640 212 H TYR 28 HN TYR 28 -3.882 2.477 -5.364 213 HA TYR 28 HA TYR 28 -3.314 4.130 -7.571 214 1HB TYR 28 HB2 TYR 28 -4.727 2.691 -8.845 215 2HB TYR 28 HB1 TYR 28 -3.801 1.703 -7.734 216 HD1 TYR 28 HD1 TYR 28 -4.960 0.916 -5.602 217 HD2 TYR 28 HD2 TYR 28 -7.060 2.564 -8.925 218 HE1 TYR 28 HE1 TYR 28 -7.046 -0.103 -4.781 219 HE2 TYR 28 HE2 TYR 28 -9.145 1.551 -8.107 220 HH TYR 28 HH TYR 28 -9.719 -0.519 -6.632 221 H LYS 29 HN LYS 29 -5.833 4.259 -5.206 222 HA LYS 29 HA LYS 29 -7.430 5.987 -6.941 223 1HB LYS 29 HB2 LYS 29 -9.176 5.828 -5.229 224 2HB LYS 29 HB1 LYS 29 -8.704 4.253 -5.848 225 1HG LYS 29 HG2 LYS 29 -7.585 3.673 -3.873 226 2HG LYS 29 HG1 LYS 29 -7.563 5.350 -3.305 227 1HD LYS 29 HD2 LYS 29 -9.257 4.043 -2.098 228 2HD LYS 29 HD1 LYS 29 -10.011 5.286 -3.079 229 1HE LYS 29 HE2 LYS 29 -10.440 3.575 -4.830 230 2HE LYS 29 HE1 LYS 29 -9.781 2.361 -3.730 231 1HZ LYS 29 HZ1 LYS 29 -11.544 2.980 -2.136 232 2HZ LYS 29 HZ2 LYS 29 -12.162 2.372 -3.588 233 3HZ LYS 29 HZ3 LYS 29 -12.196 4.048 -3.290 234 H GLU 30 HN GLU 30 -8.212 8.033 -6.128 235 HA GLU 30 HA GLU 30 -6.082 9.526 -4.940 236 1HB GLU 30 HB2 GLU 30 -7.561 11.453 -5.200 237 2HB GLU 30 HB1 GLU 30 -7.513 10.493 -6.671 238 1HG GLU 30 HG2 GLU 30 -9.640 9.473 -6.113 239 2HG GLU 30 HG1 GLU 30 -9.684 10.379 -4.596 240 H ILE 31 HN ILE 31 -6.001 10.549 -2.934 241 HA ILE 31 HA ILE 31 -7.596 9.341 -0.832 242 HB ILE 31 HB ILE 31 -5.488 11.483 -0.633 243 1HG1 ILE 31 HG12 ILE 31 -5.149 8.485 -0.421 244 2HG1 ILE 31 HG11 ILE 31 -4.647 9.469 -1.793 245 1HG2 ILE 31 HG21 ILE 31 -6.558 9.539 1.401 246 2HG2 ILE 31 HG22 ILE 31 -6.872 11.270 1.356 247 3HG2 ILE 31 HG23 ILE 31 -5.251 10.680 1.675 248 1HD1 ILE 31 HD11 ILE 31 -2.766 8.917 -0.333 249 2HD1 ILE 31 HD12 ILE 31 -3.591 9.716 1.015 250 3HD1 ILE 31 HD13 ILE 31 -3.070 10.660 -0.381 251 HA PRO 32 HA PRO 32 -10.559 12.756 -0.405 252 1HB PRO 32 HB2 PRO 32 -10.283 12.119 2.490 253 2HB PRO 32 HB1 PRO 32 -11.753 12.248 1.507 254 1HG PRO 32 HG2 PRO 32 -10.789 9.875 2.304 255 2HG PRO 32 HG1 PRO 32 -11.582 10.088 0.728 256 1HD PRO 32 HD2 PRO 32 -8.693 9.752 1.369 257 2HD PRO 32 HD1 PRO 32 -9.606 9.243 -0.062 258 H GLN 33 HN GLN 33 -10.078 14.899 -0.205 259 HA GLN 33 HA GLN 33 -7.411 15.523 0.400 260 1HB GLN 33 HB2 GLN 33 -9.680 17.386 -0.225 261 2HB GLN 33 HB1 GLN 33 -7.967 17.783 -0.293 262 1HG GLN 33 HG2 GLN 33 -9.447 15.839 -2.061 263 2HG GLN 33 HG1 GLN 33 -8.769 17.391 -2.529 264 1HE2 GLN 33 HE21 GLN 33 -6.337 17.068 -1.029 265 2HE2 GLN 33 HE22 GLN 33 -5.380 15.907 -1.875 266 H GLY 34 HN GLY 34 -10.099 15.290 2.376 267 1HA GLY 34 HA2 GLY 34 -9.338 17.272 4.306 268 2HA GLY 34 HA1 GLY 34 -10.465 15.951 4.552 269 H TRP 35 HN TRP 35 -8.397 14.044 3.549 270 HA TRP 35 HA TRP 35 -6.883 13.817 6.049 271 1HB TRP 35 HB2 TRP 35 -7.541 11.796 3.912 272 2HB TRP 35 HB1 TRP 35 -6.475 11.465 5.268 273 HD1 TRP 35 HD1 TRP 35 -10.083 12.889 4.980 274 HE1 TRP 35 HE1 TRP 35 -11.532 11.750 6.764 275 HE3 TRP 35 HE3 TRP 35 -6.538 9.836 7.047 276 HZ2 TRP 35 HZ2 TRP 35 -11.219 9.791 8.782 277 HZ3 TRP 35 HZ3 TRP 35 -7.202 8.360 8.897 278 HH2 TRP 35 HH2 TRP 35 -9.486 8.328 9.762 279 H ARG 36 HN ARG 36 -4.650 12.896 5.823 280 HA ARG 36 HA ARG 36 -3.340 13.823 3.332 281 1HB ARG 36 HB2 ARG 36 -3.003 15.455 5.201 282 2HB ARG 36 HB1 ARG 36 -2.239 14.167 6.125 283 1HG ARG 36 HG2 ARG 36 -0.580 15.592 5.149 284 2HG ARG 36 HG1 ARG 36 -0.494 13.994 4.427 285 1HD ARG 36 HD2 ARG 36 -0.262 15.522 2.647 286 2HD ARG 36 HD1 ARG 36 -1.917 14.902 2.553 287 HE ARG 36 HE ARG 36 -1.534 17.436 3.990 288 1HH1 ARG 36 HH11 ARG 36 -2.639 15.750 1.099 289 2HH1 ARG 36 HH12 ARG 36 -3.443 17.144 0.445 290 1HH2 ARG 36 HH21 ARG 36 -2.609 19.271 3.121 291 2HH2 ARG 36 HH22 ARG 36 -3.426 19.133 1.593 292 H ALA 37 HN ALA 37 -1.532 12.595 2.681 293 HA ALA 37 HA ALA 37 -1.429 9.925 3.699 294 1HB ALA 37 HB1 ALA 37 0.199 9.506 1.939 295 2HB ALA 37 HB2 ALA 37 0.286 11.233 1.601 296 3HB ALA 37 HB3 ALA 37 -1.215 10.345 1.294 297 H ALA 38 HN ALA 38 0.205 8.972 4.867 298 HA ALA 38 HA ALA 38 2.384 10.721 5.759 299 1HB ALA 38 HB1 ALA 38 0.557 10.980 7.360 300 2HB ALA 38 HB2 ALA 38 1.994 10.278 8.085 301 3HB ALA 38 HB3 ALA 38 0.598 9.268 7.692 302 H GLY 39 HN GLY 39 4.187 9.714 6.515 303 1HA GLY 39 HA2 GLY 39 5.786 8.076 6.646 304 2HA GLY 39 HA1 GLY 39 4.480 7.043 7.202 305 H LYS 40 HN LYS 40 3.781 5.439 5.921 306 HA LYS 40 HA LYS 40 5.513 4.919 3.620 307 1HB LYS 40 HB2 LYS 40 3.876 3.124 5.418 308 2HB LYS 40 HB1 LYS 40 4.623 2.550 3.932 309 1HG LYS 40 HG2 LYS 40 6.808 2.986 4.748 310 2HG LYS 40 HG1 LYS 40 6.169 3.835 6.164 311 1HD LYS 40 HD2 LYS 40 5.246 1.831 7.051 312 2HD LYS 40 HD1 LYS 40 5.593 0.945 5.554 313 1HE LYS 40 HE2 LYS 40 7.717 2.181 7.307 314 2HE LYS 40 HE1 LYS 40 7.177 0.504 7.459 315 1HZ LYS 40 HZ1 LYS 40 7.796 0.179 5.082 316 2HZ LYS 40 HZ2 LYS 40 9.121 0.522 6.097 317 3HZ LYS 40 HZ3 LYS 40 8.484 1.734 5.094 318 H SER 41 HN SER 41 4.827 5.006 1.679 319 HA SER 41 HA SER 41 2.067 4.194 1.059 320 1HB SER 41 HB2 SER 41 2.670 6.680 0.666 321 2HB SER 41 HB1 SER 41 3.707 6.072 -0.648 322 HG SER 41 HG SER 41 1.864 5.221 -1.661 323 H GLY 42 HN GLY 42 2.197 2.166 0.196 324 1HA GLY 42 HA2 GLY 42 3.725 1.538 -2.067 325 2HA GLY 42 HA1 GLY 42 4.645 1.034 -0.646 326 H LEU 43 HN LEU 43 4.449 -1.042 -0.331 327 HA LEU 43 HA LEU 43 2.381 -2.602 -1.452 328 1HB LEU 43 HB2 LEU 43 4.543 -3.227 0.553 329 2HB LEU 43 HB1 LEU 43 3.375 -4.424 0.045 330 HG LEU 43 HG LEU 43 5.371 -4.793 -1.205 331 1HD1 LEU 43 HD11 LEU 43 3.392 -3.361 -2.978 332 2HD1 LEU 43 HD12 LEU 43 3.258 -5.034 -2.435 333 3HD1 LEU 43 HD13 LEU 43 4.592 -4.557 -3.489 334 1HD2 LEU 43 HD21 LEU 43 6.406 -3.102 -2.620 335 2HD2 LEU 43 HD22 LEU 43 6.415 -2.614 -0.931 336 3HD2 LEU 43 HD23 LEU 43 5.254 -1.905 -2.047 337 H LYS 44 HN LYS 44 1.115 -4.194 -0.092 338 HA LYS 44 HA LYS 44 -0.673 -2.782 1.573 339 1HB LYS 44 HB2 LYS 44 -1.367 -4.658 0.176 340 2HB LYS 44 HB1 LYS 44 -0.309 -5.734 1.068 341 1HG LYS 44 HG2 LYS 44 -1.676 -5.233 3.112 342 2HG LYS 44 HG1 LYS 44 -2.817 -4.422 2.035 343 1HD LYS 44 HD2 LYS 44 -3.078 -6.482 0.746 344 2HD LYS 44 HD1 LYS 44 -1.925 -7.300 1.810 345 1HE LYS 44 HE2 LYS 44 -4.099 -7.933 2.517 346 2HE LYS 44 HE1 LYS 44 -3.468 -6.790 3.718 347 1HZ LYS 44 HZ1 LYS 44 -4.778 -5.044 2.751 348 2HZ LYS 44 HZ2 LYS 44 -5.791 -6.346 3.141 349 3HZ LYS 44 HZ3 LYS 44 -5.356 -6.069 1.520 350 H LYS 45 HN LYS 45 1.575 -5.439 2.199 351 HA LYS 45 HA LYS 45 1.315 -5.413 4.975 352 1HB LYS 45 HB2 LYS 45 3.495 -6.687 4.924 353 2HB LYS 45 HB1 LYS 45 2.159 -7.372 4.011 354 1HG LYS 45 HG2 LYS 45 3.872 -7.651 2.538 355 2HG LYS 45 HG1 LYS 45 3.233 -6.097 2.009 356 1HD LYS 45 HD2 LYS 45 5.622 -5.945 2.081 357 2HD LYS 45 HD1 LYS 45 4.960 -4.961 3.396 358 1HE LYS 45 HE2 LYS 45 5.534 -6.626 4.995 359 2HE LYS 45 HE1 LYS 45 5.956 -7.798 3.745 360 1HZ LYS 45 HZ1 LYS 45 7.376 -5.257 4.308 361 2HZ LYS 45 HZ2 LYS 45 7.782 -6.373 3.094 362 3HZ LYS 45 HZ3 LYS 45 7.917 -6.817 4.737 363 H ASP 46 HN ASP 46 3.309 -3.488 2.871 364 HA ASP 46 HA ASP 46 5.165 -2.646 4.829 365 1HB ASP 46 HB2 ASP 46 5.633 -2.492 2.401 366 2HB ASP 46 HB1 ASP 46 4.415 -1.231 2.263 367 H CYS 47 HN CYS 47 2.085 -1.416 3.642 368 HA CYS 47 HA CYS 47 2.155 1.062 5.031 369 1HB CYS 47 HB2 CYS 47 0.624 0.798 3.192 370 2HB CYS 47 HB1 CYS 47 -0.132 -0.614 3.951 371 HG CYS 47 HG CYS 47 -0.491 2.694 4.665 372 H LEU 48 HN LEU 48 0.756 -2.108 5.742 373 HA LEU 48 HA LEU 48 -0.514 -1.502 8.134 374 1HB LEU 48 HB2 LEU 48 0.839 -4.107 7.428 375 2HB LEU 48 HB1 LEU 48 -0.420 -3.885 8.631 376 HG LEU 48 HG LEU 48 -0.724 -3.520 5.650 377 1HD1 LEU 48 HD11 LEU 48 -0.517 -5.862 6.372 378 2HD1 LEU 48 HD12 LEU 48 -2.120 -5.492 5.745 379 3HD1 LEU 48 HD13 LEU 48 -1.867 -5.611 7.478 380 1HD2 LEU 48 HD21 LEU 48 -2.136 -1.973 6.909 381 2HD2 LEU 48 HD22 LEU 48 -2.793 -3.330 7.841 382 3HD2 LEU 48 HD23 LEU 48 -3.096 -3.204 6.109 383 H ALA 49 HN ALA 49 2.739 -2.653 7.522 384 HA ALA 49 HA ALA 49 3.706 -2.922 10.074 385 1HB ALA 49 HB1 ALA 49 5.942 -2.604 9.153 386 2HB ALA 49 HB2 ALA 49 5.231 -1.917 7.692 387 3HB ALA 49 HB3 ALA 49 4.941 -3.611 8.103 388 H TYR 50 HN TYR 50 3.549 0.030 8.130 389 HA TYR 50 HA TYR 50 4.980 1.729 9.734 390 1HB TYR 50 HB2 TYR 50 4.077 2.376 7.532 391 2HB TYR 50 HB1 TYR 50 2.474 2.504 8.256 392 HD1 TYR 50 HD1 TYR 50 1.843 4.470 9.443 393 HD2 TYR 50 HD2 TYR 50 5.906 3.899 8.326 394 HE1 TYR 50 HE1 TYR 50 2.356 6.773 10.131 395 HE2 TYR 50 HE2 TYR 50 6.423 6.205 9.009 396 HH TYR 50 HH TYR 50 4.313 8.094 10.840 397 H ILE 51 HN ILE 51 1.505 1.050 10.021 398 HA ILE 51 HA ILE 51 1.148 2.834 12.216 399 HB ILE 51 HB ILE 51 -0.525 0.470 11.378 400 1HG1 ILE 51 HG12 ILE 51 -2.101 2.427 10.729 401 2HG1 ILE 51 HG11 ILE 51 -0.651 3.411 10.803 402 1HG2 ILE 51 HG21 ILE 51 -2.310 1.382 12.762 403 2HG2 ILE 51 HG22 ILE 51 -1.205 2.631 13.372 404 3HG2 ILE 51 HG23 ILE 51 -0.902 0.922 13.726 405 1HD1 ILE 51 HD11 ILE 51 0.366 2.107 9.089 406 2HD1 ILE 51 HD12 ILE 51 -1.207 2.676 8.536 407 3HD1 ILE 51 HD13 ILE 51 -1.004 1.002 9.056 408 H GLU 52 HN GLU 52 2.017 -0.561 12.016 409 HA GLU 52 HA GLU 52 1.805 -1.189 14.731 410 1HB GLU 52 HB2 GLU 52 3.534 -2.282 12.535 411 2HB GLU 52 HB1 GLU 52 3.499 -2.964 14.152 412 1HG GLU 52 HG2 GLU 52 1.244 -3.607 13.942 413 2HG GLU 52 HG1 GLU 52 1.017 -2.641 12.498 414 H GLU 53 HN GLU 53 4.544 0.049 12.866 415 HA GLU 53 HA GLU 53 6.578 -0.011 14.589 416 1HB GLU 53 HB2 GLU 53 5.925 2.455 12.977 417 2HB GLU 53 HB1 GLU 53 7.508 2.028 13.618 418 1HG GLU 53 HG2 GLU 53 6.009 0.290 11.697 419 2HG GLU 53 HG1 GLU 53 7.078 1.579 11.182 420 H VAL 54 HN VAL 54 4.728 3.152 16.482 421 HA VAL 54 HA VAL 54 4.179 2.542 13.701 422 HB VAL 54 HB VAL 54 2.250 3.097 14.957 423 1HG1 VAL 54 HG11 VAL 54 1.988 5.213 16.161 424 2HG1 VAL 54 HG12 VAL 54 3.686 5.582 15.853 425 3HG1 VAL 54 HG13 VAL 54 3.251 4.188 16.842 426 1HG2 VAL 54 HG21 VAL 54 2.963 5.591 13.408 427 2HG2 VAL 54 HG22 VAL 54 1.349 4.997 13.780 428 3HG2 VAL 54 HG23 VAL 54 2.377 4.090 12.677 429 H TRP 55 HN TRP 55 5.689 5.094 15.680 430 HA TRP 55 HA TRP 55 6.978 6.094 13.206 431 1HB TRP 55 HB2 TRP 55 6.488 7.481 15.872 432 2HB TRP 55 HB1 TRP 55 7.437 8.142 14.537 433 HD1 TRP 55 HD1 TRP 55 3.806 7.028 15.211 434 HE1 TRP 55 HE1 TRP 55 2.246 8.529 13.834 435 HE3 TRP 55 HE3 TRP 55 7.325 9.767 12.715 436 HZ2 TRP 55 HZ2 TRP 55 2.466 10.619 11.929 437 HZ3 TRP 55 HZ3 TRP 55 6.567 11.491 11.150 438 HH2 TRP 55 HH2 TRP 55 4.208 11.913 10.759 439 H THR 56 HN THR 56 7.722 3.773 15.076 440 HA THR 56 HA THR 56 10.380 4.507 15.818 441 HB THR 56 HB THR 56 10.023 3.865 18.263 442 HG1 THR 56 HG1 THR 56 7.349 4.658 17.702 443 1HG2 THR 56 HG21 THR 56 8.853 6.471 17.270 444 2HG2 THR 56 HG22 THR 56 10.550 6.157 17.606 445 3HG2 THR 56 HG23 THR 56 9.377 6.154 18.915 446 H ASP 57 HN ASP 57 11.259 2.604 17.323 447 HA ASP 57 HA ASP 57 10.538 0.077 16.120 448 1HB ASP 57 HB2 ASP 57 12.873 0.476 16.643 449 2HB ASP 57 HB1 ASP 57 12.472 0.769 18.341 450 H MET 58 HN MET 58 10.669 1.293 19.458 451 HA MET 58 HA MET 58 9.310 1.099 21.244 452 1HB MET 58 HB2 MET 58 7.555 1.824 19.630 453 2HB MET 58 HB1 MET 58 7.164 0.136 19.340 454 1HG MET 58 HG2 MET 58 6.598 -0.105 21.727 455 2HG MET 58 HG1 MET 58 6.911 1.617 21.962 456 1HE MET 58 HE1 MET 58 5.477 3.527 20.548 457 2HE MET 58 HE2 MET 58 4.159 3.086 19.481 458 3HE MET 58 HE3 MET 58 5.822 2.644 19.067 459 H ARG 59 HN ARG 59 7.868 -1.605 19.431 460 HA ARG 59 HA ARG 59 8.968 -3.407 21.510 461 1HB ARG 59 HB2 ARG 59 6.874 -4.760 21.275 462 2HB ARG 59 HB1 ARG 59 6.622 -3.149 21.936 463 1HG ARG 59 HG2 ARG 59 6.003 -2.421 19.586 464 2HG ARG 59 HG1 ARG 59 5.964 -4.141 19.188 465 1HD ARG 59 HD2 ARG 59 4.325 -2.817 21.344 466 2HD ARG 59 HD1 ARG 59 3.749 -3.238 19.730 467 HE ARG 59 HE ARG 59 4.586 -5.616 20.599 468 1HH1 ARG 59 HH11 ARG 59 2.727 -3.165 22.246 469 2HH1 ARG 59 HH12 ARG 59 1.861 -4.301 23.238 470 1HH2 ARG 59 HH21 ARG 59 3.403 -7.152 21.844 471 2HH2 ARG 59 HH22 ARG 59 2.259 -6.563 23.033 472 HA PRO 60 HA PRO 60 10.800 -5.248 18.008 473 1HB PRO 60 HB2 PRO 60 11.531 -7.567 19.556 474 2HB PRO 60 HB1 PRO 60 12.545 -6.205 19.049 475 1HG PRO 60 HG2 PRO 60 11.804 -6.721 21.651 476 2HG PRO 60 HG1 PRO 60 12.290 -5.122 21.038 477 1HD PRO 60 HD2 PRO 60 9.552 -6.216 21.572 478 2HD PRO 60 HD1 PRO 60 10.183 -4.568 21.805 479 H LEU 61 HN LEU 61 9.038 -5.829 16.671 480 HA LEU 61 HA LEU 61 7.867 -8.444 17.054 481 1HB LEU 61 HB2 LEU 61 6.600 -7.852 14.972 482 2HB LEU 61 HB1 LEU 61 6.363 -6.764 16.317 483 HG LEU 61 HG LEU 61 8.204 -5.344 15.101 484 1HD1 LEU 61 HD11 LEU 61 7.017 -6.891 12.800 485 2HD1 LEU 61 HD12 LEU 61 8.671 -7.086 13.389 486 3HD1 LEU 61 HD13 LEU 61 8.161 -5.549 12.699 487 1HD2 LEU 61 HD21 LEU 61 5.385 -5.542 14.082 488 2HD2 LEU 61 HD22 LEU 61 6.466 -4.157 13.873 489 3HD2 LEU 61 HD23 LEU 61 5.917 -4.626 15.491 490 H SER 62 HN SER 62 10.760 -7.673 16.259 491 HA SER 62 HA SER 62 11.280 -8.481 13.651 492 1HB SER 62 HB2 SER 62 13.635 -8.867 14.641 493 2HB SER 62 HB1 SER 62 12.939 -7.234 14.730 494 HG SER 62 HG SER 62 13.711 -8.871 16.742 495 H LEU 63 HN LEU 63 11.548 -10.336 16.685 496 HA LEU 63 HA LEU 63 12.211 -12.762 15.295 497 1HB LEU 63 HB2 LEU 63 12.287 -13.829 17.434 498 2HB LEU 63 HB1 LEU 63 13.058 -12.258 17.567 499 HG LEU 63 HG LEU 63 10.213 -12.714 18.437 500 1HD1 LEU 63 HD11 LEU 63 12.738 -12.970 20.057 501 2HD1 LEU 63 HD12 LEU 63 11.599 -14.251 19.672 502 3HD1 LEU 63 HD13 LEU 63 11.103 -12.931 20.732 503 1HD2 LEU 63 HD21 LEU 63 12.258 -10.611 19.145 504 2HD2 LEU 63 HD22 LEU 63 10.638 -10.733 19.811 505 3HD2 LEU 63 HD23 LEU 63 10.853 -10.386 18.100 506 H ARG 64 HN ARG 64 9.398 -11.150 15.669 507 HA ARG 64 HA ARG 64 7.709 -13.519 15.921 508 1HB ARG 64 HB2 ARG 64 7.000 -10.580 15.734 509 2HB ARG 64 HB1 ARG 64 5.866 -11.880 16.032 510 1HG ARG 64 HG2 ARG 64 8.181 -11.428 17.868 511 2HG ARG 64 HG1 ARG 64 6.707 -10.449 18.002 512 1HD ARG 64 HD2 ARG 64 6.539 -12.296 19.519 513 2HD ARG 64 HD1 ARG 64 5.400 -12.560 18.205 514 HE ARG 64 HE ARG 64 7.665 -13.907 17.492 515 1HH1 ARG 64 HH11 ARG 64 5.440 -13.927 20.208 516 2HH1 ARG 64 HH12 ARG 64 5.703 -15.609 20.556 517 1HH2 ARG 64 HH21 ARG 64 7.980 -16.155 17.927 518 2HH2 ARG 64 HH22 ARG 64 7.070 -16.881 19.236 519 H GLN 65 HN GLN 65 8.710 -11.046 13.672 520 HA GLN 65 HA GLN 65 8.451 -10.733 11.437 521 1HB GLN 65 HB2 GLN 65 7.180 -13.475 11.374 522 2HB GLN 65 HB1 GLN 65 7.724 -12.551 9.978 523 1HG GLN 65 HG2 GLN 65 10.011 -12.734 10.686 524 2HG GLN 65 HG1 GLN 65 9.528 -13.569 12.161 525 1HE2 GLN 65 HE21 GLN 65 9.966 -13.821 8.732 526 2HE2 GLN 65 HE22 GLN 65 9.754 -15.548 8.630 527 H HIS 66 HN HIS 66 6.615 -10.564 9.741 528 HA HIS 66 HA HIS 66 4.320 -9.485 11.109 529 1HB HIS 66 HB2 HIS 66 5.478 -8.675 8.868 530 2HB HIS 66 HB1 HIS 66 4.392 -9.846 8.132 531 HD1 HIS 66 HD1 HIS 66 1.906 -9.227 7.985 532 HD2 HIS 66 HD2 HIS 66 4.228 -6.481 10.074 533 HE1 HIS 66 HE1 HIS 66 0.434 -7.217 8.321 534 HE2 HIS 66 HE2 HIS 66 1.775 -5.675 9.821 535 H MET 67 HN MET 67 5.269 -12.490 10.114 536 HA MET 67 HA MET 67 2.619 -13.501 9.490 537 1HB MET 67 HB2 MET 67 5.278 -14.932 9.655 538 2HB MET 67 HB1 MET 67 3.762 -15.665 9.134 539 1HG MET 67 HG2 MET 67 3.682 -14.215 7.208 540 2HG MET 67 HG1 MET 67 5.133 -13.355 7.770 541 1HE MET 67 HE1 MET 67 4.766 -14.565 4.854 542 2HE MET 67 HE2 MET 67 6.326 -15.346 4.571 543 3HE MET 67 HE3 MET 67 6.254 -13.761 5.349 544 H ASP 68 HN ASP 68 4.017 -12.602 12.205 545 HA ASP 68 HA ASP 68 3.876 -14.736 13.996 546 1HB ASP 68 HB2 ASP 68 4.862 -12.634 14.646 547 2HB ASP 68 HB1 ASP 68 3.328 -11.785 14.424 548 H LYS 69 HN LYS 69 1.402 -12.256 13.312 549 HA LYS 69 HA LYS 69 -0.653 -14.310 13.764 550 1HB LYS 69 HB2 LYS 69 -0.448 -12.521 15.623 551 2HB LYS 69 HB1 LYS 69 -1.063 -11.394 14.425 552 1HG LYS 69 HG2 LYS 69 -2.527 -13.869 15.191 553 2HG LYS 69 HG1 LYS 69 -2.749 -12.333 16.014 554 1HD LYS 69 HD2 LYS 69 -3.097 -12.643 13.046 555 2HD LYS 69 HD1 LYS 69 -4.412 -12.958 14.168 556 1HE LYS 69 HE2 LYS 69 -4.624 -10.711 13.369 557 2HE LYS 69 HE1 LYS 69 -4.124 -10.669 15.045 558 1HZ LYS 69 HZ1 LYS 69 -2.198 -10.392 12.815 559 2HZ LYS 69 HZ2 LYS 69 -1.948 -10.067 14.462 560 3HZ LYS 69 HZ3 LYS 69 -2.953 -9.060 13.538 561 H ALA 70 HN ALA 70 -0.988 -14.718 11.615 562 HA ALA 70 HA ALA 70 -1.143 -12.553 9.706 563 1HB ALA 70 HB1 ALA 70 -1.613 -15.528 9.355 564 2HB ALA 70 HB2 ALA 70 -0.107 -14.667 9.040 565 3HB ALA 70 HB3 ALA 70 -1.531 -14.344 8.060 566 H ALA 71 HN ALA 71 -2.988 -11.817 8.708 567 HA ALA 71 HA ALA 71 -5.461 -12.234 10.096 568 1HB ALA 71 HB1 ALA 71 -4.788 -10.023 9.186 569 2HB ALA 71 HB2 ALA 71 -6.383 -10.555 8.647 570 3HB ALA 71 HB3 ALA 71 -5.006 -10.666 7.558 571 H GLY 72 HN GLY 72 -5.573 -14.534 9.690 572 1HA GLY 72 HA2 GLY 72 -6.862 -15.105 7.121 573 2HA GLY 72 HA1 GLY 72 -5.599 -16.154 7.720 Start of MODEL 11 1 1H MET 1 HT1 MET 1 5.359 -25.389 5.639 2 2H MET 1 HT2 MET 1 4.202 -25.071 6.837 3 3H MET 1 HT3 MET 1 5.296 -23.864 6.392 4 HA MET 1 HA MET 1 4.350 -23.747 4.195 5 1HB MET 1 HB2 MET 1 2.364 -25.747 5.313 6 2HB MET 1 HB1 MET 1 2.170 -24.883 3.786 7 1HG MET 1 HG2 MET 1 2.936 -27.014 3.204 8 2HG MET 1 HG1 MET 1 4.349 -25.969 3.065 9 1HE MET 1 HE1 MET 1 2.569 -28.761 5.121 10 2HE MET 1 HE2 MET 1 2.653 -27.474 6.303 11 3HE MET 1 HE3 MET 1 3.606 -28.931 6.519 12 H THR 2 HN THR 2 2.173 -22.635 3.761 13 HA THR 2 HA THR 2 1.198 -21.344 6.234 14 HB THR 2 HB THR 2 2.774 -19.817 5.107 15 HG1 THR 2 HG1 THR 2 1.436 -18.092 5.227 16 1HG2 THR 2 HG21 THR 2 2.275 -18.928 2.887 17 2HG2 THR 2 HG22 THR 2 0.895 -20.020 2.733 18 3HG2 THR 2 HG23 THR 2 2.543 -20.664 2.816 19 H SER 3 HN SER 3 -0.944 -21.106 6.381 20 HA SER 3 HA SER 3 -2.576 -22.071 4.111 21 1HB SER 3 HB2 SER 3 -2.724 -23.448 6.184 22 2HB SER 3 HB1 SER 3 -3.215 -22.012 7.079 23 HG SER 3 HG SER 3 -4.704 -22.610 4.806 24 H VAL 4 HN VAL 4 -1.926 -19.408 6.194 25 HA VAL 4 HA VAL 4 -4.369 -18.043 5.364 26 HB VAL 4 HB VAL 4 -3.735 -17.790 7.722 27 1HG1 VAL 4 HG11 VAL 4 -1.759 -16.504 8.400 28 2HG1 VAL 4 HG12 VAL 4 -1.236 -16.448 6.718 29 3HG1 VAL 4 HG13 VAL 4 -1.308 -17.992 7.558 30 1HG2 VAL 4 HG21 VAL 4 -3.493 -15.243 6.125 31 2HG2 VAL 4 HG22 VAL 4 -3.796 -15.329 7.863 32 3HG2 VAL 4 HG23 VAL 4 -4.976 -15.990 6.736 33 H PHE 5 HN PHE 5 -0.881 -17.640 5.115 34 HA PHE 5 HA PHE 5 0.449 -16.249 3.910 35 1HB PHE 5 HB2 PHE 5 0.219 -16.594 1.474 36 2HB PHE 5 HB1 PHE 5 0.144 -18.102 2.386 37 HD1 PHE 5 HD1 PHE 5 -1.757 -19.476 2.313 38 HD2 PHE 5 HD2 PHE 5 -1.849 -15.636 0.461 39 HE1 PHE 5 HE1 PHE 5 -3.884 -20.049 1.222 40 HE2 PHE 5 HE2 PHE 5 -3.952 -16.223 -0.628 41 HZ PHE 5 HZ PHE 5 -4.991 -18.423 -0.254 42 H ASP 6 HN ASP 6 0.156 -14.797 1.615 43 HA ASP 6 HA ASP 6 -2.119 -13.068 1.758 44 1HB ASP 6 HB2 ASP 6 -0.595 -12.117 3.551 45 2HB ASP 6 HB1 ASP 6 0.592 -11.822 2.269 46 H ARG 7 HN ARG 7 -2.541 -13.394 -0.340 47 HA ARG 7 HA ARG 7 -0.374 -12.842 -2.299 48 1HB ARG 7 HB2 ARG 7 -1.606 -14.135 -3.905 49 2HB ARG 7 HB1 ARG 7 -1.438 -15.108 -2.445 50 1HG ARG 7 HG2 ARG 7 -3.735 -14.544 -1.800 51 2HG ARG 7 HG1 ARG 7 -3.900 -13.590 -3.282 52 1HD ARG 7 HD2 ARG 7 -3.444 -15.608 -4.598 53 2HD ARG 7 HD1 ARG 7 -3.391 -16.536 -3.110 54 HE ARG 7 HE ARG 7 -5.835 -15.055 -3.867 55 1HH1 ARG 7 HH11 ARG 7 -4.171 -18.044 -3.123 56 2HH1 ARG 7 HH12 ARG 7 -5.607 -19.006 -3.061 57 1HH2 ARG 7 HH21 ARG 7 -7.747 -16.304 -3.805 58 2HH2 ARG 7 HH22 ARG 7 -7.655 -18.009 -3.478 59 H ASP 8 HN ASP 8 -2.479 -11.162 -0.725 60 HA ASP 8 HA ASP 8 -4.014 -9.971 -2.860 61 1HB ASP 8 HB2 ASP 8 -5.021 -10.173 -0.633 62 2HB ASP 8 HB1 ASP 8 -3.738 -9.171 0.056 63 H ASP 9 HN ASP 9 -2.329 -9.224 -4.200 64 HA ASP 9 HA ASP 9 -0.677 -7.038 -3.284 65 1HB ASP 9 HB2 ASP 9 0.046 -8.574 -5.132 66 2HB ASP 9 HB1 ASP 9 -1.231 -7.890 -6.139 67 H ILE 10 HN ILE 10 -1.308 -4.961 -3.211 68 HA ILE 10 HA ILE 10 -3.674 -4.173 -4.683 69 HB ILE 10 HB ILE 10 -4.760 -5.008 -2.771 70 1HG1 ILE 10 HG12 ILE 10 -5.656 -2.958 -1.638 71 2HG1 ILE 10 HG11 ILE 10 -4.460 -2.015 -2.528 72 1HG2 ILE 10 HG21 ILE 10 -2.780 -5.193 -1.328 73 2HG2 ILE 10 HG22 ILE 10 -4.175 -4.517 -0.490 74 3HG2 ILE 10 HG23 ILE 10 -2.867 -3.457 -1.007 75 1HD1 ILE 10 HD11 ILE 10 -5.455 -2.699 -4.619 76 2HD1 ILE 10 HD12 ILE 10 -6.642 -1.943 -3.566 77 3HD1 ILE 10 HD13 ILE 10 -6.624 -3.693 -3.751 78 H GLN 11 HN GLN 11 -1.508 -2.974 -2.065 79 HA GLN 11 HA GLN 11 0.099 -1.425 -2.211 80 1HB GLN 11 HB2 GLN 11 -1.095 -0.791 -4.881 81 2HB GLN 11 HB1 GLN 11 0.185 0.178 -4.154 82 1HG GLN 11 HG2 GLN 11 1.675 -1.702 -4.147 83 2HG GLN 11 HG1 GLN 11 0.390 -2.783 -4.661 84 1HE2 GLN 11 HE21 GLN 11 2.615 -0.326 -5.622 85 2HE2 GLN 11 HE22 GLN 11 2.412 -0.525 -7.331 86 H PHE 12 HN PHE 12 -0.170 -0.087 -0.674 87 HA PHE 12 HA PHE 12 -2.529 1.656 -0.671 88 1HB PHE 12 HB2 PHE 12 -1.306 0.029 1.535 89 2HB PHE 12 HB1 PHE 12 -2.246 1.470 1.902 90 HD1 PHE 12 HD1 PHE 12 -2.343 -2.015 0.987 91 HD2 PHE 12 HD2 PHE 12 -4.682 1.546 1.253 92 HE1 PHE 12 HE1 PHE 12 -4.394 -3.349 0.937 93 HE2 PHE 12 HE2 PHE 12 -6.746 0.193 1.222 94 HZ PHE 12 HZ PHE 12 -6.580 -2.262 1.062 95 H GLN 13 HN GLN 13 -2.309 3.400 0.912 96 HA GLN 13 HA GLN 13 0.421 4.268 1.543 97 1HB GLN 13 HB2 GLN 13 -0.207 6.606 1.021 98 2HB GLN 13 HB1 GLN 13 -0.223 5.578 -0.396 99 1HG GLN 13 HG2 GLN 13 -2.685 5.367 -0.175 100 2HG GLN 13 HG1 GLN 13 -2.615 6.522 1.157 101 1HE2 GLN 13 HE21 GLN 13 -3.933 6.649 -1.490 102 2HE2 GLN 13 HE22 GLN 13 -3.356 8.121 -2.211 103 H VAL 14 HN VAL 14 0.444 5.572 3.528 104 HA VAL 14 HA VAL 14 -1.852 4.905 5.205 105 HB VAL 14 HB VAL 14 0.851 5.989 5.986 106 1HG1 VAL 14 HG11 VAL 14 0.227 5.420 8.272 107 2HG1 VAL 14 HG12 VAL 14 -1.360 4.894 7.700 108 3HG1 VAL 14 HG13 VAL 14 -0.886 6.585 7.563 109 1HG2 VAL 14 HG21 VAL 14 1.030 3.749 5.085 110 2HG2 VAL 14 HG22 VAL 14 -0.252 3.180 6.156 111 3HG2 VAL 14 HG23 VAL 14 1.284 3.715 6.822 112 H VAL 15 HN VAL 15 -3.320 6.426 5.791 113 HA VAL 15 HA VAL 15 -2.567 9.218 5.230 114 HB VAL 15 HB VAL 15 -5.031 9.627 4.989 115 1HG1 VAL 15 HG11 VAL 15 -3.845 7.561 3.136 116 2HG1 VAL 15 HG12 VAL 15 -3.551 9.296 3.055 117 3HG1 VAL 15 HG13 VAL 15 -5.170 8.660 2.749 118 1HG2 VAL 15 HG21 VAL 15 -6.494 7.714 4.618 119 2HG2 VAL 15 HG22 VAL 15 -5.839 7.701 6.263 120 3HG2 VAL 15 HG23 VAL 15 -5.185 6.621 5.033 121 H VAL 16 HN VAL 16 -2.758 10.723 6.729 122 HA VAL 16 HA VAL 16 -4.152 10.048 9.233 123 HB VAL 16 HB VAL 16 -1.782 9.929 9.672 124 1HG1 VAL 16 HG11 VAL 16 -1.607 12.743 8.569 125 2HG1 VAL 16 HG12 VAL 16 -0.935 11.280 7.830 126 3HG1 VAL 16 HG13 VAL 16 -0.296 11.864 9.368 127 1HG2 VAL 16 HG21 VAL 16 -3.224 10.886 11.409 128 2HG2 VAL 16 HG22 VAL 16 -2.933 12.506 10.758 129 3HG2 VAL 16 HG23 VAL 16 -1.608 11.580 11.460 130 H ASN 17 HN ASN 17 -5.547 11.580 9.953 131 HA ASN 17 HA ASN 17 -6.009 13.832 8.149 132 1HB ASN 17 HB2 ASN 17 -8.205 13.982 9.173 133 2HB ASN 17 HB1 ASN 17 -7.892 12.322 8.692 134 1HD2 ASN 17 HD21 ASN 17 -9.828 13.138 10.565 135 2HD2 ASN 17 HD22 ASN 17 -9.403 12.476 12.101 136 H HIS 18 HN HIS 18 -7.407 15.542 9.970 137 HA HIS 18 HA HIS 18 -5.070 16.831 11.166 138 1HB HIS 18 HB2 HIS 18 -7.967 17.723 11.074 139 2HB HIS 18 HB1 HIS 18 -6.612 18.712 11.576 140 HD1 HIS 18 HD1 HIS 18 -4.797 19.212 9.626 141 HD2 HIS 18 HD2 HIS 18 -8.521 17.816 8.403 142 HE1 HIS 18 HE1 HIS 18 -4.953 19.718 7.174 143 HE2 HIS 18 HE2 HIS 18 -7.269 19.009 6.485 144 H GLU 19 HN GLU 19 -7.334 14.623 12.127 145 HA GLU 19 HA GLU 19 -7.224 15.415 14.936 146 1HB GLU 19 HB2 GLU 19 -8.871 13.330 13.516 147 2HB GLU 19 HB1 GLU 19 -8.824 13.502 15.266 148 1HG GLU 19 HG2 GLU 19 -10.738 14.659 14.686 149 2HG GLU 19 HG1 GLU 19 -9.527 15.943 14.840 150 H GLU 20 HN GLU 20 -5.171 14.131 13.049 151 HA GLU 20 HA GLU 20 -3.442 12.711 13.078 152 1HB GLU 20 HB2 GLU 20 -2.229 12.442 15.099 153 2HB GLU 20 HB1 GLU 20 -2.959 14.045 15.103 154 1HG GLU 20 HG2 GLU 20 -4.683 13.265 16.632 155 2HG GLU 20 HG1 GLU 20 -3.971 11.657 16.629 156 H GLN 21 HN GLN 21 -6.055 11.538 12.860 157 HA GLN 21 HA GLN 21 -5.728 8.899 14.060 158 1HB GLN 21 HB2 GLN 21 -7.826 9.984 12.168 159 2HB GLN 21 HB1 GLN 21 -7.860 8.415 12.955 160 1HG GLN 21 HG2 GLN 21 -8.116 9.428 15.112 161 2HG GLN 21 HG1 GLN 21 -7.927 11.033 14.413 162 1HE2 GLN 21 HE21 GLN 21 -9.557 10.288 12.052 163 2HE2 GLN 21 HE22 GLN 21 -11.196 10.288 12.604 164 H TYR 22 HN TYR 22 -5.372 7.040 12.757 165 HA TYR 22 HA TYR 22 -4.274 7.700 10.115 166 1HB TYR 22 HB2 TYR 22 -2.570 5.897 10.554 167 2HB TYR 22 HB1 TYR 22 -2.389 7.367 11.496 168 HD1 TYR 22 HD1 TYR 22 -3.293 3.830 11.632 169 HD2 TYR 22 HD2 TYR 22 -2.697 7.361 13.902 170 HE1 TYR 22 HE1 TYR 22 -3.262 2.489 13.676 171 HE2 TYR 22 HE2 TYR 22 -2.670 6.042 15.966 172 HH TYR 22 HH TYR 22 -2.440 2.629 15.958 173 H SER 23 HN SER 23 -4.258 6.078 8.556 174 HA SER 23 HA SER 23 -5.614 3.596 8.918 175 1HB SER 23 HB2 SER 23 -7.488 5.315 8.887 176 2HB SER 23 HB1 SER 23 -7.037 5.664 7.227 177 HG SER 23 HG SER 23 -8.518 4.139 6.934 178 H ILE 24 HN ILE 24 -6.094 2.750 6.447 179 HA ILE 24 HA ILE 24 -3.766 3.605 4.865 180 HB ILE 24 HB ILE 24 -3.704 1.277 3.933 181 1HG1 ILE 24 HG12 ILE 24 -5.413 0.605 6.342 182 2HG1 ILE 24 HG11 ILE 24 -5.971 0.596 4.664 183 1HG2 ILE 24 HG21 ILE 24 -2.067 2.054 5.521 184 2HG2 ILE 24 HG22 ILE 24 -2.439 0.342 5.806 185 3HG2 ILE 24 HG23 ILE 24 -3.117 1.587 6.860 186 1HD1 ILE 24 HD11 ILE 24 -5.443 -1.657 5.476 187 2HD1 ILE 24 HD12 ILE 24 -3.782 -1.159 5.781 188 3HD1 ILE 24 HD13 ILE 24 -4.409 -1.184 4.129 189 H TRP 25 HN TRP 25 -4.139 4.133 2.826 190 HA TRP 25 HA TRP 25 -6.827 3.608 1.713 191 1HB TRP 25 HB2 TRP 25 -6.472 5.979 2.522 192 2HB TRP 25 HB1 TRP 25 -5.166 6.116 1.348 193 HD1 TRP 25 HD1 TRP 25 -5.835 6.967 -1.009 194 HE1 TRP 25 HE1 TRP 25 -8.071 7.379 -2.207 195 HE3 TRP 25 HE3 TRP 25 -9.045 4.905 2.433 196 HZ2 TRP 25 HZ2 TRP 25 -10.805 6.903 -1.789 197 HZ3 TRP 25 HZ3 TRP 25 -11.450 4.933 1.946 198 HH2 TRP 25 HH2 TRP 25 -12.309 5.906 -0.121 199 HA PRO 26 HA PRO 26 -4.625 1.859 -1.782 200 1HB PRO 26 HB2 PRO 26 -6.396 2.739 -3.741 201 2HB PRO 26 HB1 PRO 26 -6.516 1.198 -2.873 202 1HG PRO 26 HG2 PRO 26 -7.940 3.774 -2.408 203 2HG PRO 26 HG1 PRO 26 -8.533 2.113 -2.210 204 1HD PRO 26 HD2 PRO 26 -7.869 3.615 -0.098 205 2HD PRO 26 HD1 PRO 26 -7.529 1.870 -0.127 206 H GLU 27 HN GLU 27 -2.959 2.686 -2.970 207 HA GLU 27 HA GLU 27 -2.521 5.494 -2.796 208 1HB GLU 27 HB2 GLU 27 -0.367 4.925 -2.955 209 2HB GLU 27 HB1 GLU 27 -0.899 3.248 -2.992 210 1HG GLU 27 HG2 GLU 27 -0.657 4.881 -5.493 211 2HG GLU 27 HG1 GLU 27 0.730 4.040 -4.783 212 H TYR 28 HN TYR 28 -3.668 3.352 -5.277 213 HA TYR 28 HA TYR 28 -3.237 5.111 -7.451 214 1HB TYR 28 HB2 TYR 28 -4.833 3.587 -8.642 215 2HB TYR 28 HB1 TYR 28 -3.451 2.778 -7.926 216 HD1 TYR 28 HD1 TYR 28 -3.766 1.332 -5.968 217 HD2 TYR 28 HD2 TYR 28 -7.081 3.163 -7.915 218 HE1 TYR 28 HE1 TYR 28 -5.278 -0.224 -4.819 219 HE2 TYR 28 HE2 TYR 28 -8.600 1.598 -6.755 220 HH TYR 28 HH TYR 28 -8.495 -0.663 -5.736 221 H LYS 29 HN LYS 29 -5.604 4.979 -4.989 222 HA LYS 29 HA LYS 29 -7.336 6.790 -6.524 223 1HB LYS 29 HB2 LYS 29 -7.829 5.395 -3.908 224 2HB LYS 29 HB1 LYS 29 -8.948 6.533 -4.638 225 1HG LYS 29 HG2 LYS 29 -8.763 4.915 -6.704 226 2HG LYS 29 HG1 LYS 29 -8.277 3.757 -5.462 227 1HD LYS 29 HD2 LYS 29 -10.838 5.332 -5.580 228 2HD LYS 29 HD1 LYS 29 -10.641 3.589 -5.795 229 1HE LYS 29 HE2 LYS 29 -9.856 3.387 -3.486 230 2HE LYS 29 HE1 LYS 29 -10.071 5.122 -3.269 231 1HZ LYS 29 HZ1 LYS 29 -11.914 3.707 -2.410 232 2HZ LYS 29 HZ2 LYS 29 -12.271 3.256 -4.011 233 3HZ LYS 29 HZ3 LYS 29 -12.421 4.876 -3.537 234 H GLU 30 HN GLU 30 -8.030 8.747 -5.664 235 HA GLU 30 HA GLU 30 -5.945 10.218 -4.332 236 1HB GLU 30 HB2 GLU 30 -7.389 11.115 -6.189 237 2HB GLU 30 HB1 GLU 30 -8.758 11.088 -5.084 238 1HG GLU 30 HG2 GLU 30 -7.618 12.675 -3.617 239 2HG GLU 30 HG1 GLU 30 -6.242 12.701 -4.736 240 H ILE 31 HN ILE 31 -5.932 11.026 -2.282 241 HA ILE 31 HA ILE 31 -7.313 9.610 -0.278 242 HB ILE 31 HB ILE 31 -5.855 12.250 -0.073 243 1HG1 ILE 31 HG12 ILE 31 -4.791 9.453 0.413 244 2HG1 ILE 31 HG11 ILE 31 -4.484 10.393 -1.041 245 1HG2 ILE 31 HG21 ILE 31 -7.258 11.774 1.846 246 2HG2 ILE 31 HG22 ILE 31 -5.538 11.659 2.262 247 3HG2 ILE 31 HG23 ILE 31 -6.497 10.194 2.026 248 1HD1 ILE 31 HD11 ILE 31 -3.341 12.078 0.256 249 2HD1 ILE 31 HD12 ILE 31 -2.623 10.509 0.553 250 3HD1 ILE 31 HD13 ILE 31 -3.714 11.231 1.744 251 HA PRO 32 HA PRO 32 -11.153 11.994 0.013 252 1HB PRO 32 HB2 PRO 32 -10.886 11.182 2.869 253 2HB PRO 32 HB1 PRO 32 -12.270 11.006 1.784 254 1HG PRO 32 HG2 PRO 32 -10.779 8.902 2.422 255 2HG PRO 32 HG1 PRO 32 -11.420 9.098 0.788 256 1HD PRO 32 HD2 PRO 32 -8.650 9.565 1.816 257 2HD PRO 32 HD1 PRO 32 -9.179 8.895 0.254 258 H GLN 33 HN GLN 33 -11.553 14.102 0.619 259 HA GLN 33 HA GLN 33 -9.315 15.662 1.353 260 1HB GLN 33 HB2 GLN 33 -11.228 16.418 -0.050 261 2HB GLN 33 HB1 GLN 33 -12.225 16.490 1.401 262 1HG GLN 33 HG2 GLN 33 -10.809 18.185 2.331 263 2HG GLN 33 HG1 GLN 33 -9.698 18.076 0.973 264 1HE2 GLN 33 HE21 GLN 33 -10.408 18.811 -1.079 265 2HE2 GLN 33 HE22 GLN 33 -11.671 20.011 -1.175 266 H GLY 34 HN GLY 34 -8.524 16.111 3.277 267 1HA GLY 34 HA2 GLY 34 -9.094 16.904 5.568 268 2HA GLY 34 HA1 GLY 34 -10.224 15.550 5.634 269 H TRP 35 HN TRP 35 -8.145 13.975 4.032 270 HA TRP 35 HA TRP 35 -6.509 13.248 6.353 271 1HB TRP 35 HB2 TRP 35 -7.286 11.588 3.924 272 2HB TRP 35 HB1 TRP 35 -6.201 11.047 5.220 273 HD1 TRP 35 HD1 TRP 35 -9.893 11.880 4.549 274 HE1 TRP 35 HE1 TRP 35 -11.346 10.708 6.323 275 HE3 TRP 35 HE3 TRP 35 -6.157 10.072 7.526 276 HZ2 TRP 35 HZ2 TRP 35 -10.939 9.199 8.680 277 HZ3 TRP 35 HZ3 TRP 35 -6.763 8.752 9.523 278 HH2 TRP 35 HH2 TRP 35 -9.111 8.330 10.093 279 H ARG 36 HN ARG 36 -4.304 12.539 5.870 280 HA ARG 36 HA ARG 36 -3.150 13.917 3.529 281 1HB ARG 36 HB2 ARG 36 -2.134 13.931 6.374 282 2HB ARG 36 HB1 ARG 36 -1.273 14.593 4.991 283 1HG ARG 36 HG2 ARG 36 -2.916 16.280 4.679 284 2HG ARG 36 HG1 ARG 36 -3.976 15.554 5.888 285 1HD ARG 36 HD2 ARG 36 -1.218 16.609 6.449 286 2HD ARG 36 HD1 ARG 36 -2.704 17.534 6.699 287 HE ARG 36 HE ARG 36 -3.249 15.370 8.129 288 1HH1 ARG 36 HH11 ARG 36 -0.272 17.211 8.001 289 2HH1 ARG 36 HH12 ARG 36 0.149 16.879 9.652 290 1HH2 ARG 36 HH21 ARG 36 -2.703 14.947 10.293 291 2HH2 ARG 36 HH22 ARG 36 -1.217 15.564 10.938 292 H ALA 37 HN ALA 37 -1.261 12.963 2.668 293 HA ALA 37 HA ALA 37 -1.049 10.146 3.141 294 1HB ALA 37 HB1 ALA 37 0.647 11.914 1.395 295 2HB ALA 37 HB2 ALA 37 -0.839 11.115 0.880 296 3HB ALA 37 HB3 ALA 37 0.561 10.160 1.339 297 H ALA 38 HN ALA 38 0.493 9.061 4.227 298 HA ALA 38 HA ALA 38 2.867 10.401 5.209 299 1HB ALA 38 HB1 ALA 38 2.355 10.025 7.568 300 2HB ALA 38 HB2 ALA 38 0.749 9.413 7.136 301 3HB ALA 38 HB3 ALA 38 1.176 11.111 6.835 302 H GLY 39 HN GLY 39 4.153 8.858 6.591 303 1HA GLY 39 HA2 GLY 39 5.012 6.769 7.073 304 2HA GLY 39 HA1 GLY 39 3.483 6.077 6.565 305 H LYS 40 HN LYS 40 3.933 4.555 5.117 306 HA LYS 40 HA LYS 40 5.740 5.276 2.921 307 1HB LYS 40 HB2 LYS 40 6.745 3.674 4.560 308 2HB LYS 40 HB1 LYS 40 5.482 2.516 4.131 309 1HG LYS 40 HG2 LYS 40 7.463 1.965 2.919 310 2HG LYS 40 HG1 LYS 40 6.284 2.619 1.773 311 1HD LYS 40 HD2 LYS 40 7.408 4.821 1.974 312 2HD LYS 40 HD1 LYS 40 8.643 4.051 2.975 313 1HE LYS 40 HE2 LYS 40 9.421 4.216 0.691 314 2HE LYS 40 HE1 LYS 40 9.168 2.518 1.111 315 1HZ LYS 40 HZ1 LYS 40 7.164 2.492 -0.117 316 2HZ LYS 40 HZ2 LYS 40 8.319 3.217 -1.118 317 3HZ LYS 40 HZ3 LYS 40 7.164 4.175 -0.329 318 H SER 41 HN SER 41 4.924 5.021 0.965 319 HA SER 41 HA SER 41 2.354 3.658 0.638 320 1HB SER 41 HB2 SER 41 3.904 5.308 -1.381 321 2HB SER 41 HB1 SER 41 2.214 4.772 -1.499 322 HG SER 41 HG SER 41 2.179 6.864 -0.785 323 H GLY 42 HN GLY 42 2.217 1.705 -0.355 324 1HA GLY 42 HA2 GLY 42 3.780 0.637 -2.328 325 2HA GLY 42 HA1 GLY 42 4.679 0.277 -0.856 326 H LEU 43 HN LEU 43 4.324 -1.777 -0.312 327 HA LEU 43 HA LEU 43 2.017 -3.199 -1.269 328 1HB LEU 43 HB2 LEU 43 4.337 -4.022 0.470 329 2HB LEU 43 HB1 LEU 43 3.023 -5.114 0.042 330 HG LEU 43 HG LEU 43 4.882 -5.565 -1.400 331 1HD1 LEU 43 HD11 LEU 43 2.839 -3.942 -2.906 332 2HD1 LEU 43 HD12 LEU 43 2.677 -5.645 -2.442 333 3HD1 LEU 43 HD13 LEU 43 3.912 -5.156 -3.595 334 1HD2 LEU 43 HD21 LEU 43 5.919 -3.926 -2.820 335 2HD2 LEU 43 HD22 LEU 43 6.078 -3.433 -1.138 336 3HD2 LEU 43 HD23 LEU 43 4.890 -2.655 -2.176 337 H LYS 44 HN LYS 44 0.563 -4.394 0.070 338 HA LYS 44 HA LYS 44 -0.735 -2.996 2.072 339 1HB LYS 44 HB2 LYS 44 -1.822 -4.817 0.947 340 2HB LYS 44 HB1 LYS 44 -0.572 -5.954 1.423 341 1HG LYS 44 HG2 LYS 44 -1.341 -5.596 3.805 342 2HG LYS 44 HG1 LYS 44 -2.724 -4.719 3.125 343 1HD LYS 44 HD2 LYS 44 -3.467 -6.644 1.934 344 2HD LYS 44 HD1 LYS 44 -1.979 -7.511 2.300 345 1HE LYS 44 HE2 LYS 44 -2.588 -7.474 4.695 346 2HE LYS 44 HE1 LYS 44 -4.101 -6.674 4.274 347 1HZ LYS 44 HZ1 LYS 44 -3.258 -9.359 3.358 348 2HZ LYS 44 HZ2 LYS 44 -4.723 -8.590 2.981 349 3HZ LYS 44 HZ3 LYS 44 -4.386 -9.042 4.581 350 H LYS 45 HN LYS 45 1.607 -5.620 2.441 351 HA LYS 45 HA LYS 45 1.573 -5.695 5.237 352 1HB LYS 45 HB2 LYS 45 3.778 -6.886 4.993 353 2HB LYS 45 HB1 LYS 45 2.407 -7.591 4.126 354 1HG LYS 45 HG2 LYS 45 4.118 -7.725 2.545 355 2HG LYS 45 HG1 LYS 45 3.331 -6.213 2.101 356 1HD LYS 45 HD2 LYS 45 5.721 -5.902 2.072 357 2HD LYS 45 HD1 LYS 45 5.037 -4.998 3.414 358 1HE LYS 45 HE2 LYS 45 5.711 -6.735 4.976 359 2HE LYS 45 HE1 LYS 45 6.309 -7.708 3.628 360 1HZ LYS 45 HZ1 LYS 45 8.065 -6.518 4.797 361 2HZ LYS 45 HZ2 LYS 45 7.377 -5.025 4.376 362 3HZ LYS 45 HZ3 LYS 45 7.972 -6.063 3.170 363 H ASP 46 HN ASP 46 3.298 -3.654 3.035 364 HA ASP 46 HA ASP 46 5.306 -2.800 4.844 365 1HB ASP 46 HB2 ASP 46 5.339 -2.739 2.301 366 2HB ASP 46 HB1 ASP 46 4.355 -1.290 2.412 367 H CYS 47 HN CYS 47 2.244 -1.408 3.770 368 HA CYS 47 HA CYS 47 2.402 0.908 5.353 369 1HB CYS 47 HB2 CYS 47 0.002 -0.553 4.240 370 2HB CYS 47 HB1 CYS 47 -0.023 1.074 4.919 371 HG CYS 47 HG CYS 47 1.990 1.897 2.939 372 H LEU 48 HN LEU 48 1.037 -2.299 5.879 373 HA LEU 48 HA LEU 48 -0.169 -1.872 8.361 374 1HB LEU 48 HB2 LEU 48 1.184 -4.346 7.296 375 2HB LEU 48 HB1 LEU 48 0.160 -4.300 8.717 376 HG LEU 48 HG LEU 48 -0.690 -3.733 5.880 377 1HD1 LEU 48 HD11 LEU 48 -2.004 -5.777 6.123 378 2HD1 LEU 48 HD12 LEU 48 -1.332 -6.025 7.738 379 3HD1 LEU 48 HD13 LEU 48 -0.284 -6.094 6.322 380 1HD2 LEU 48 HD21 LEU 48 -1.928 -2.329 7.448 381 2HD2 LEU 48 HD22 LEU 48 -2.323 -3.755 8.421 382 3HD2 LEU 48 HD23 LEU 48 -2.957 -3.598 6.780 383 H ALA 49 HN ALA 49 3.149 -2.764 7.536 384 HA ALA 49 HA ALA 49 4.205 -3.116 10.057 385 1HB ALA 49 HB1 ALA 49 6.367 -2.559 9.096 386 2HB ALA 49 HB2 ALA 49 5.559 -1.889 7.676 387 3HB ALA 49 HB3 ALA 49 5.442 -3.614 8.025 388 H TYR 50 HN TYR 50 3.915 -0.127 8.199 389 HA TYR 50 HA TYR 50 5.051 1.575 10.102 390 1HB TYR 50 HB2 TYR 50 4.696 2.282 7.795 391 2HB TYR 50 HB1 TYR 50 2.939 2.193 8.027 392 HD1 TYR 50 HD1 TYR 50 6.001 3.983 9.199 393 HD2 TYR 50 HD2 TYR 50 1.743 4.038 8.844 394 HE1 TYR 50 HE1 TYR 50 5.970 6.312 9.961 395 HE2 TYR 50 HE2 TYR 50 1.706 6.374 9.607 396 HH TYR 50 HH TYR 50 3.132 7.904 10.942 397 H ILE 51 HN ILE 51 1.798 0.304 9.845 398 HA ILE 51 HA ILE 51 0.592 2.141 11.673 399 HB ILE 51 HB ILE 51 -0.368 -0.657 11.106 400 1HG1 ILE 51 HG12 ILE 51 -0.041 0.369 8.944 401 2HG1 ILE 51 HG11 ILE 51 -1.766 0.353 9.303 402 1HG2 ILE 51 HG21 ILE 51 -1.828 1.856 11.909 403 2HG2 ILE 51 HG22 ILE 51 -1.479 0.478 12.949 404 3HG2 ILE 51 HG23 ILE 51 -2.584 0.279 11.589 405 1HD1 ILE 51 HD11 ILE 51 0.086 2.700 9.521 406 2HD1 ILE 51 HD12 ILE 51 -1.620 2.707 9.971 407 3HD1 ILE 51 HD13 ILE 51 -1.149 2.444 8.289 408 H GLU 52 HN GLU 52 2.081 -0.990 11.955 409 HA GLU 52 HA GLU 52 1.588 -1.510 14.631 410 1HB GLU 52 HB2 GLU 52 2.762 -2.949 12.828 411 2HB GLU 52 HB1 GLU 52 4.223 -2.158 13.393 412 1HG GLU 52 HG2 GLU 52 4.007 -4.266 14.494 413 2HG GLU 52 HG1 GLU 52 3.728 -2.965 15.675 414 H GLU 53 HN GLU 53 3.980 0.557 13.137 415 HA GLU 53 HA GLU 53 5.832 0.879 15.074 416 1HB GLU 53 HB2 GLU 53 4.785 2.989 13.224 417 2HB GLU 53 HB1 GLU 53 6.251 3.159 14.172 418 1HG GLU 53 HG2 GLU 53 5.747 0.974 12.172 419 2HG GLU 53 HG1 GLU 53 6.652 2.465 11.858 420 H VAL 54 HN VAL 54 3.239 3.614 16.659 421 HA VAL 54 HA VAL 54 2.976 2.685 13.898 422 HB VAL 54 HB VAL 54 0.879 2.613 15.004 423 1HG1 VAL 54 HG11 VAL 54 -0.097 4.500 16.174 424 2HG1 VAL 54 HG12 VAL 54 1.371 5.443 15.906 425 3HG1 VAL 54 HG13 VAL 54 1.418 3.984 16.906 426 1HG2 VAL 54 HG21 VAL 54 -0.480 4.265 13.783 427 2HG2 VAL 54 HG22 VAL 54 0.774 3.557 12.739 428 3HG2 VAL 54 HG23 VAL 54 0.986 5.179 13.409 429 H TRP 55 HN TRP 55 3.463 5.629 15.791 430 HA TRP 55 HA TRP 55 3.671 7.241 13.416 431 1HB TRP 55 HB2 TRP 55 3.912 7.921 16.349 432 2HB TRP 55 HB1 TRP 55 4.237 9.080 15.074 433 HD1 TRP 55 HD1 TRP 55 2.026 9.463 13.320 434 HE1 TRP 55 HE1 TRP 55 -0.460 9.678 13.962 435 HE3 TRP 55 HE3 TRP 55 2.186 7.311 17.955 436 HZ2 TRP 55 HZ2 TRP 55 -2.129 9.026 16.133 437 HZ3 TRP 55 HZ3 TRP 55 0.109 7.146 19.249 438 HH2 TRP 55 HH2 TRP 55 -2.008 7.979 18.367 439 H THR 56 HN THR 56 5.671 5.598 15.684 440 HA THR 56 HA THR 56 7.864 5.133 15.778 441 HB THR 56 HB THR 56 7.194 4.098 13.600 442 HG1 THR 56 HG1 THR 56 9.124 3.281 13.637 443 1HG2 THR 56 HG21 THR 56 8.162 4.985 11.543 444 2HG2 THR 56 HG22 THR 56 8.644 6.457 12.402 445 3HG2 THR 56 HG23 THR 56 6.929 6.058 12.197 446 H ASP 57 HN ASP 57 7.604 7.617 16.662 447 HA ASP 57 HA ASP 57 9.670 9.163 15.242 448 1HB ASP 57 HB2 ASP 57 7.475 10.194 14.863 449 2HB ASP 57 HB1 ASP 57 7.157 10.211 16.598 450 H MET 58 HN MET 58 11.403 9.324 16.458 451 HA MET 58 HA MET 58 12.820 9.450 18.211 452 1HB MET 58 HB2 MET 58 10.337 10.412 19.511 453 2HB MET 58 HB1 MET 58 11.644 9.876 20.557 454 1HG MET 58 HG2 MET 58 11.731 12.260 20.233 455 2HG MET 58 HG1 MET 58 13.148 11.491 19.531 456 1HE MET 58 HE1 MET 58 12.575 14.595 17.229 457 2HE MET 58 HE2 MET 58 13.679 13.758 18.323 458 3HE MET 58 HE3 MET 58 12.214 14.509 18.953 459 H ARG 59 HN ARG 59 9.889 8.019 19.659 460 HA ARG 59 HA ARG 59 11.326 5.484 19.846 461 1HB ARG 59 HB2 ARG 59 10.124 6.941 22.206 462 2HB ARG 59 HB1 ARG 59 10.456 5.213 22.228 463 1HG ARG 59 HG2 ARG 59 12.509 7.383 21.795 464 2HG ARG 59 HG1 ARG 59 12.246 6.479 23.292 465 1HD ARG 59 HD2 ARG 59 12.990 5.234 20.660 466 2HD ARG 59 HD1 ARG 59 14.157 5.625 21.925 467 HE ARG 59 HE ARG 59 12.504 4.093 23.306 468 1HH1 ARG 59 HH11 ARG 59 13.667 3.605 20.009 469 2HH1 ARG 59 HH12 ARG 59 13.675 1.867 20.146 470 1HH2 ARG 59 HH21 ARG 59 12.565 1.804 23.478 471 2HH2 ARG 59 HH22 ARG 59 13.089 0.850 22.119 472 HA PRO 60 HA PRO 60 7.111 4.324 18.727 473 1HB PRO 60 HB2 PRO 60 8.173 1.964 17.537 474 2HB PRO 60 HB1 PRO 60 7.556 3.396 16.709 475 1HG PRO 60 HG2 PRO 60 10.207 2.560 16.712 476 2HG PRO 60 HG1 PRO 60 9.661 4.209 16.322 477 1HD PRO 60 HD2 PRO 60 10.829 3.152 18.861 478 2HD PRO 60 HD1 PRO 60 11.008 4.754 18.106 479 H LEU 61 HN LEU 61 6.075 1.961 18.920 480 HA LEU 61 HA LEU 61 6.545 1.241 21.680 481 1HB LEU 61 HB2 LEU 61 4.614 -0.285 21.302 482 2HB LEU 61 HB1 LEU 61 4.294 1.424 21.097 483 HG LEU 61 HG LEU 61 4.615 0.944 18.576 484 1HD1 LEU 61 HD11 LEU 61 5.521 -1.311 18.784 485 2HD1 LEU 61 HD12 LEU 61 4.019 -1.284 17.871 486 3HD1 LEU 61 HD13 LEU 61 4.024 -1.850 19.545 487 1HD2 LEU 61 HD21 LEU 61 2.253 0.309 18.354 488 2HD2 LEU 61 HD22 LEU 61 2.507 1.583 19.540 489 3HD2 LEU 61 HD23 LEU 61 2.202 -0.064 20.081 490 H SER 62 HN SER 62 8.416 0.507 19.396 491 HA SER 62 HA SER 62 8.496 -2.270 19.058 492 1HB SER 62 HB2 SER 62 9.786 -0.719 17.658 493 2HB SER 62 HB1 SER 62 10.766 -0.268 19.051 494 HG SER 62 HG SER 62 10.700 -2.745 17.664 495 H LEU 63 HN LEU 63 9.562 -0.224 21.682 496 HA LEU 63 HA LEU 63 11.273 -2.101 22.923 497 1HB LEU 63 HB2 LEU 63 11.265 -0.728 24.841 498 2HB LEU 63 HB1 LEU 63 11.163 0.350 23.461 499 HG LEU 63 HG LEU 63 8.712 -0.447 25.014 500 1HD1 LEU 63 HD11 LEU 63 10.313 0.525 26.581 501 2HD1 LEU 63 HD12 LEU 63 8.963 1.623 26.290 502 3HD1 LEU 63 HD13 LEU 63 10.531 1.908 25.528 503 1HD2 LEU 63 HD21 LEU 63 8.385 0.563 22.787 504 2HD2 LEU 63 HD22 LEU 63 9.333 1.952 23.313 505 3HD2 LEU 63 HD23 LEU 63 7.802 1.606 24.092 506 H ARG 64 HN ARG 64 7.808 -1.541 23.051 507 HA ARG 64 HA ARG 64 7.340 -3.331 25.234 508 1HB ARG 64 HB2 ARG 64 5.844 -1.442 24.775 509 2HB ARG 64 HB1 ARG 64 5.451 -2.117 23.190 510 1HG ARG 64 HG2 ARG 64 4.453 -4.064 24.303 511 2HG ARG 64 HG1 ARG 64 4.800 -3.332 25.882 512 1HD ARG 64 HD2 ARG 64 3.017 -2.177 23.729 513 2HD ARG 64 HD1 ARG 64 2.495 -2.901 25.248 514 HE ARG 64 HE ARG 64 3.636 -1.054 26.388 515 1HH1 ARG 64 HH11 ARG 64 2.880 -0.643 22.978 516 2HH1 ARG 64 HH12 ARG 64 2.821 1.099 23.072 517 1HH2 ARG 64 HH21 ARG 64 3.577 1.239 26.505 518 2HH2 ARG 64 HH22 ARG 64 3.247 2.167 25.065 519 H GLN 65 HN GLN 65 6.384 -3.425 21.785 520 HA GLN 65 HA GLN 65 6.324 -6.343 22.001 521 1HB GLN 65 HB2 GLN 65 5.170 -4.548 19.862 522 2HB GLN 65 HB1 GLN 65 5.030 -6.286 19.888 523 1HG GLN 65 HG2 GLN 65 3.752 -6.202 21.935 524 2HG GLN 65 HG1 GLN 65 3.920 -4.439 21.991 525 1HE2 GLN 65 HE21 GLN 65 3.324 -6.342 19.103 526 2HE2 GLN 65 HE22 GLN 65 1.733 -5.731 18.807 527 H HIS 66 HN HIS 66 8.596 -6.504 21.984 528 HA HIS 66 HA HIS 66 9.918 -5.706 19.504 529 1HB HIS 66 HB2 HIS 66 12.041 -6.183 20.750 530 2HB HIS 66 HB1 HIS 66 11.060 -4.888 21.426 531 HD1 HIS 66 HD1 HIS 66 10.452 -5.083 23.863 532 HD2 HIS 66 HD2 HIS 66 11.915 -8.633 22.283 533 HE1 HIS 66 HE1 HIS 66 10.798 -6.607 25.822 534 HE2 HIS 66 HE2 HIS 66 11.853 -8.678 24.857 535 H MET 67 HN MET 67 8.826 -8.484 21.195 536 HA MET 67 HA MET 67 10.316 -10.229 19.374 537 1HB MET 67 HB2 MET 67 8.735 -10.839 21.867 538 2HB MET 67 HB1 MET 67 9.385 -12.092 20.805 539 1HG MET 67 HG2 MET 67 11.639 -11.174 21.188 540 2HG MET 67 HG1 MET 67 10.945 -10.024 22.348 541 1HE MET 67 HE1 MET 67 10.922 -14.602 22.944 542 2HE MET 67 HE2 MET 67 11.631 -13.811 21.539 543 3HE MET 67 HE3 MET 67 9.880 -13.788 21.777 544 H ASP 68 HN ASP 68 7.603 -8.540 19.325 545 HA ASP 68 HA ASP 68 6.009 -10.613 17.963 546 1HB ASP 68 HB2 ASP 68 4.914 -9.516 19.899 547 2HB ASP 68 HB1 ASP 68 5.085 -7.967 19.092 548 H LYS 69 HN LYS 69 5.505 -10.343 15.846 549 HA LYS 69 HA LYS 69 6.993 -8.242 14.502 550 1HB LYS 69 HB2 LYS 69 5.577 -10.629 13.326 551 2HB LYS 69 HB1 LYS 69 6.700 -9.558 12.494 552 1HG LYS 69 HG2 LYS 69 7.387 -11.372 14.789 553 2HG LYS 69 HG1 LYS 69 7.739 -11.668 13.089 554 1HD LYS 69 HD2 LYS 69 9.080 -9.585 13.051 555 2HD LYS 69 HD1 LYS 69 8.797 -9.430 14.797 556 1HE LYS 69 HE2 LYS 69 10.972 -10.415 14.320 557 2HE LYS 69 HE1 LYS 69 9.916 -11.536 15.176 558 1HZ LYS 69 HZ1 LYS 69 9.449 -12.659 13.082 559 2HZ LYS 69 HZ2 LYS 69 11.122 -12.627 13.389 560 3HZ LYS 69 HZ3 LYS 69 10.448 -11.563 12.257 561 H ALA 70 HN ALA 70 6.087 -6.932 12.871 562 HA ALA 70 HA ALA 70 3.367 -6.138 13.231 563 1HB ALA 70 HB1 ALA 70 5.345 -5.457 11.058 564 2HB ALA 70 HB2 ALA 70 5.061 -4.538 12.536 565 3HB ALA 70 HB3 ALA 70 3.792 -4.641 11.323 566 H ALA 71 HN ALA 71 5.149 -7.820 10.688 567 HA ALA 71 HA ALA 71 2.678 -9.206 9.988 568 1HB ALA 71 HB1 ALA 71 4.528 -7.993 7.952 569 2HB ALA 71 HB2 ALA 71 2.933 -7.364 8.367 570 3HB ALA 71 HB3 ALA 71 3.095 -8.954 7.607 571 H GLY 72 HN GLY 72 3.434 -11.061 10.977 572 1HA GLY 72 HA2 GLY 72 6.078 -12.037 10.424 573 2HA GLY 72 HA1 GLY 72 4.853 -12.864 11.367 Start of MODEL 12 1 1H MET 1 HT1 MET 1 11.263 -10.634 -20.630 2 2H MET 1 HT2 MET 1 10.048 -11.797 -20.517 3 3H MET 1 HT3 MET 1 10.968 -11.410 -19.159 4 HA MET 1 HA MET 1 10.077 -9.216 -19.089 5 1HB MET 1 HB2 MET 1 8.102 -8.728 -20.623 6 2HB MET 1 HB1 MET 1 9.715 -8.667 -21.341 7 1HG MET 1 HG2 MET 1 8.441 -9.764 -22.923 8 2HG MET 1 HG1 MET 1 9.263 -11.071 -22.071 9 1HE MET 1 HE1 MET 1 6.076 -8.979 -20.937 10 2HE MET 1 HE2 MET 1 4.803 -10.004 -21.602 11 3HE MET 1 HE3 MET 1 5.936 -9.187 -22.681 12 H THR 2 HN THR 2 9.636 -12.007 -18.152 13 HA THR 2 HA THR 2 6.815 -12.299 -17.770 14 HB THR 2 HB THR 2 8.391 -14.245 -17.855 15 HG1 THR 2 HG1 THR 2 6.900 -15.297 -16.764 16 1HG2 THR 2 HG21 THR 2 9.137 -13.334 -15.077 17 2HG2 THR 2 HG22 THR 2 10.197 -13.319 -16.498 18 3HG2 THR 2 HG23 THR 2 9.614 -14.846 -15.840 19 H SER 3 HN SER 3 5.657 -12.111 -15.806 20 HA SER 3 HA SER 3 6.161 -9.709 -14.457 21 1HB SER 3 HB2 SER 3 4.358 -11.944 -13.532 22 2HB SER 3 HB1 SER 3 4.211 -10.226 -13.158 23 HG SER 3 HG SER 3 3.708 -11.596 -15.580 24 H VAL 4 HN VAL 4 7.459 -9.235 -12.868 25 HA VAL 4 HA VAL 4 8.927 -11.212 -11.427 26 HB VAL 4 HB VAL 4 8.630 -8.268 -10.794 27 1HG1 VAL 4 HG11 VAL 4 9.576 -9.563 -8.958 28 2HG1 VAL 4 HG12 VAL 4 10.802 -8.519 -9.684 29 3HG1 VAL 4 HG13 VAL 4 10.791 -10.243 -10.051 30 1HG2 VAL 4 HG21 VAL 4 10.701 -7.954 -12.058 31 2HG2 VAL 4 HG22 VAL 4 9.371 -8.530 -13.062 32 3HG2 VAL 4 HG23 VAL 4 10.653 -9.639 -12.555 33 H PHE 5 HN PHE 5 6.272 -8.995 -10.746 34 HA PHE 5 HA PHE 5 5.504 -10.704 -8.458 35 1HB PHE 5 HB2 PHE 5 6.483 -8.390 -7.839 36 2HB PHE 5 HB1 PHE 5 5.040 -7.712 -8.558 37 HD1 PHE 5 HD1 PHE 5 3.229 -7.300 -7.210 38 HD2 PHE 5 HD2 PHE 5 6.080 -10.223 -6.033 39 HE1 PHE 5 HE1 PHE 5 2.070 -7.566 -5.046 40 HE2 PHE 5 HE2 PHE 5 4.918 -10.519 -3.881 41 HZ PHE 5 HZ PHE 5 2.911 -9.185 -3.390 42 H ASP 6 HN ASP 6 4.121 -11.848 -9.804 43 HA ASP 6 HA ASP 6 2.286 -10.531 -11.567 44 1HB ASP 6 HB2 ASP 6 3.105 -12.731 -12.128 45 2HB ASP 6 HB1 ASP 6 2.441 -13.405 -10.637 46 H ARG 7 HN ARG 7 0.159 -10.118 -11.360 47 HA ARG 7 HA ARG 7 -1.952 -10.033 -10.522 48 1HB ARG 7 HB2 ARG 7 -1.756 -12.361 -9.764 49 2HB ARG 7 HB1 ARG 7 -0.960 -11.798 -8.286 50 1HG ARG 7 HG2 ARG 7 -3.010 -10.547 -7.723 51 2HG ARG 7 HG1 ARG 7 -3.784 -11.270 -9.135 52 1HD ARG 7 HD2 ARG 7 -3.501 -13.483 -8.189 53 2HD ARG 7 HD1 ARG 7 -2.617 -12.810 -6.819 54 HE ARG 7 HE ARG 7 -5.259 -11.678 -7.159 55 1HH1 ARG 7 HH11 ARG 7 -3.394 -14.266 -5.669 56 2HH1 ARG 7 HH12 ARG 7 -4.597 -14.571 -4.452 57 1HH2 ARG 7 HH21 ARG 7 -6.812 -12.076 -5.551 58 2HH2 ARG 7 HH22 ARG 7 -6.526 -13.316 -4.364 59 H ASP 8 HN ASP 8 0.640 -9.654 -8.140 60 HA ASP 8 HA ASP 8 0.896 -8.265 -6.339 61 1HB ASP 8 HB2 ASP 8 0.469 -6.547 -8.202 62 2HB ASP 8 HB1 ASP 8 -1.185 -6.478 -7.638 63 H ASP 9 HN ASP 9 -1.322 -6.605 -5.206 64 HA ASP 9 HA ASP 9 -3.552 -8.409 -4.814 65 1HB ASP 9 HB2 ASP 9 -1.911 -9.173 -3.080 66 2HB ASP 9 HB1 ASP 9 -1.887 -7.537 -2.428 67 H ILE 10 HN ILE 10 -2.036 -5.717 -3.121 68 HA ILE 10 HA ILE 10 -3.413 -3.675 -4.362 69 HB ILE 10 HB ILE 10 -5.410 -4.557 -3.266 70 1HG1 ILE 10 HG12 ILE 10 -4.552 -1.963 -1.967 71 2HG1 ILE 10 HG11 ILE 10 -5.068 -2.104 -3.645 72 1HG2 ILE 10 HG21 ILE 10 -4.294 -5.574 -1.327 73 2HG2 ILE 10 HG22 ILE 10 -5.666 -4.565 -0.865 74 3HG2 ILE 10 HG23 ILE 10 -4.024 -3.971 -0.666 75 1HD1 ILE 10 HD11 ILE 10 -6.863 -1.312 -2.166 76 2HD1 ILE 10 HD12 ILE 10 -6.746 -2.812 -1.261 77 3HD1 ILE 10 HD13 ILE 10 -7.269 -2.838 -2.947 78 H GLN 11 HN GLN 11 -2.338 -1.838 -3.939 79 HA GLN 11 HA GLN 11 -0.392 -1.977 -1.772 80 1HB GLN 11 HB2 GLN 11 -0.434 -0.382 -4.336 81 2HB GLN 11 HB1 GLN 11 0.783 -0.183 -3.073 82 1HG GLN 11 HG2 GLN 11 1.436 -2.533 -3.342 83 2HG GLN 11 HG1 GLN 11 0.215 -2.717 -4.597 84 1HE2 GLN 11 HE21 GLN 11 1.821 -3.348 -6.072 85 2HE2 GLN 11 HE22 GLN 11 2.879 -2.157 -6.798 86 H PHE 12 HN PHE 12 -0.063 -0.202 -0.395 87 HA PHE 12 HA PHE 12 -2.382 1.588 -0.244 88 1HB PHE 12 HB2 PHE 12 -1.278 -0.216 1.879 89 2HB PHE 12 HB1 PHE 12 -2.147 1.251 2.308 90 HD1 PHE 12 HD1 PHE 12 -2.401 -2.157 1.281 91 HD2 PHE 12 HD2 PHE 12 -4.534 1.498 1.506 92 HE1 PHE 12 HE1 PHE 12 -4.528 -3.386 1.102 93 HE2 PHE 12 HE2 PHE 12 -6.650 0.301 1.303 94 HZ PHE 12 HZ PHE 12 -6.663 -2.162 1.116 95 H GLN 13 HN GLN 13 -2.004 3.066 1.682 96 HA GLN 13 HA GLN 13 0.678 3.965 2.194 97 1HB GLN 13 HB2 GLN 13 0.196 6.295 1.384 98 2HB GLN 13 HB1 GLN 13 0.378 5.094 0.091 99 1HG GLN 13 HG2 GLN 13 -2.104 4.963 -0.015 100 2HG GLN 13 HG1 GLN 13 -2.198 6.267 1.161 101 1HE2 GLN 13 HE21 GLN 13 -1.640 8.328 0.551 102 2HE2 GLN 13 HE22 GLN 13 -1.466 8.807 -1.110 103 H VAL 14 HN VAL 14 0.597 5.867 3.732 104 HA VAL 14 HA VAL 14 -1.590 5.299 5.601 105 HB VAL 14 HB VAL 14 0.973 6.761 6.187 106 1HG1 VAL 14 HG11 VAL 14 -0.797 7.171 7.795 107 2HG1 VAL 14 HG12 VAL 14 0.457 6.181 8.518 108 3HG1 VAL 14 HG13 VAL 14 -1.048 5.428 7.991 109 1HG2 VAL 14 HG21 VAL 14 0.386 3.826 6.619 110 2HG2 VAL 14 HG22 VAL 14 1.841 4.683 7.090 111 3HG2 VAL 14 HG23 VAL 14 1.461 4.491 5.387 112 H VAL 15 HN VAL 15 -3.119 6.796 6.040 113 HA VAL 15 HA VAL 15 -2.514 9.584 5.297 114 HB VAL 15 HB VAL 15 -4.983 9.860 4.995 115 1HG1 VAL 15 HG11 VAL 15 -5.030 8.828 2.757 116 2HG1 VAL 15 HG12 VAL 15 -3.611 7.880 3.183 117 3HG1 VAL 15 HG13 VAL 15 -3.500 9.629 3.088 118 1HG2 VAL 15 HG21 VAL 15 -6.343 7.846 4.591 119 2HG2 VAL 15 HG22 VAL 15 -5.761 7.930 6.245 120 3HG2 VAL 15 HG23 VAL 15 -4.981 6.845 5.102 121 H VAL 16 HN VAL 16 -3.286 11.195 6.623 122 HA VAL 16 HA VAL 16 -4.230 10.353 9.277 123 HB VAL 16 HB VAL 16 -1.810 10.829 9.424 124 1HG1 VAL 16 HG11 VAL 16 -0.967 13.103 9.106 125 2HG1 VAL 16 HG12 VAL 16 -2.534 13.596 8.472 126 3HG1 VAL 16 HG13 VAL 16 -1.581 12.395 7.602 127 1HG2 VAL 16 HG21 VAL 16 -3.204 11.288 11.392 128 2HG2 VAL 16 HG22 VAL 16 -3.541 12.908 10.791 129 3HG2 VAL 16 HG23 VAL 16 -1.899 12.474 11.273 130 H ASN 17 HN ASN 17 -5.761 11.677 10.210 131 HA ASN 17 HA ASN 17 -6.501 14.078 8.661 132 1HB ASN 17 HB2 ASN 17 -8.123 12.461 8.046 133 2HB ASN 17 HB1 ASN 17 -8.295 11.889 9.704 134 1HD2 ASN 17 HD21 ASN 17 -10.440 12.239 9.913 135 2HD2 ASN 17 HD22 ASN 17 -11.179 13.796 9.902 136 H HIS 18 HN HIS 18 -5.243 15.256 10.334 137 HA HIS 18 HA HIS 18 -5.482 17.000 11.737 138 1HB HIS 18 HB2 HIS 18 -7.799 16.973 10.672 139 2HB HIS 18 HB1 HIS 18 -8.332 16.295 12.212 140 HD1 HIS 18 HD1 HIS 18 -8.627 17.914 14.167 141 HD2 HIS 18 HD2 HIS 18 -6.769 19.625 10.851 142 HE1 HIS 18 HE1 HIS 18 -8.547 20.391 14.618 143 HE2 HIS 18 HE2 HIS 18 -7.378 21.405 12.613 144 H GLU 19 HN GLU 19 -7.113 14.168 13.019 145 HA GLU 19 HA GLU 19 -6.523 15.032 15.777 146 1HB GLU 19 HB2 GLU 19 -8.319 12.942 14.596 147 2HB GLU 19 HB1 GLU 19 -7.823 12.825 16.284 148 1HG GLU 19 HG2 GLU 19 -9.969 13.879 16.122 149 2HG GLU 19 HG1 GLU 19 -8.773 15.032 16.711 150 H GLU 20 HN GLU 20 -4.846 13.596 13.500 151 HA GLU 20 HA GLU 20 -2.988 12.338 13.398 152 1HB GLU 20 HB2 GLU 20 -2.432 13.189 15.681 153 2HB GLU 20 HB1 GLU 20 -3.334 11.850 16.373 154 1HG GLU 20 HG2 GLU 20 -1.812 10.260 15.310 155 2HG GLU 20 HG1 GLU 20 -0.891 11.599 14.646 156 H GLN 21 HN GLN 21 -5.890 11.546 13.389 157 HA GLN 21 HA GLN 21 -5.948 8.754 13.850 158 1HB GLN 21 HB2 GLN 21 -7.626 10.447 11.963 159 2HB GLN 21 HB1 GLN 21 -7.986 8.798 12.478 160 1HG GLN 21 HG2 GLN 21 -8.233 9.573 14.784 161 2HG GLN 21 HG1 GLN 21 -7.865 11.218 14.257 162 1HE2 GLN 21 HE21 GLN 21 -9.777 8.926 12.411 163 2HE2 GLN 21 HE22 GLN 21 -11.274 9.772 12.571 164 H TYR 22 HN TYR 22 -4.433 7.553 12.872 165 HA TYR 22 HA TYR 22 -3.863 8.070 10.040 166 1HB TYR 22 HB2 TYR 22 -1.992 6.354 10.438 167 2HB TYR 22 HB1 TYR 22 -1.820 7.953 11.189 168 HD1 TYR 22 HD1 TYR 22 -2.021 8.197 13.624 169 HD2 TYR 22 HD2 TYR 22 -2.286 4.376 11.781 170 HE1 TYR 22 HE1 TYR 22 -1.633 7.120 15.807 171 HE2 TYR 22 HE2 TYR 22 -1.908 3.285 13.948 172 HH TYR 22 HH TYR 22 -2.152 4.892 16.888 173 H SER 23 HN SER 23 -4.320 6.683 8.469 174 HA SER 23 HA SER 23 -5.385 4.035 9.080 175 1HB SER 23 HB2 SER 23 -7.337 5.618 9.083 176 2HB SER 23 HB1 SER 23 -6.951 6.023 7.412 177 HG SER 23 HG SER 23 -8.174 3.785 8.479 178 H ILE 24 HN ILE 24 -6.078 3.087 6.733 179 HA ILE 24 HA ILE 24 -3.701 3.517 5.069 180 HB ILE 24 HB ILE 24 -3.939 1.212 4.288 181 1HG1 ILE 24 HG12 ILE 24 -6.207 1.008 6.317 182 2HG1 ILE 24 HG11 ILE 24 -6.413 1.057 4.559 183 1HG2 ILE 24 HG21 ILE 24 -3.890 1.475 7.297 184 2HG2 ILE 24 HG22 ILE 24 -2.524 1.640 6.209 185 3HG2 ILE 24 HG23 ILE 24 -3.322 0.084 6.375 186 1HD1 ILE 24 HD11 ILE 24 -5.153 -1.026 4.374 187 2HD1 ILE 24 HD12 ILE 24 -6.564 -1.219 5.394 188 3HD1 ILE 24 HD13 ILE 24 -4.957 -1.066 6.113 189 H TRP 25 HN TRP 25 -3.953 4.086 2.989 190 HA TRP 25 HA TRP 25 -6.633 3.816 1.798 191 1HB TRP 25 HB2 TRP 25 -6.147 6.167 2.531 192 2HB TRP 25 HB1 TRP 25 -4.778 6.183 1.421 193 HD1 TRP 25 HD1 TRP 25 -5.292 6.836 -1.059 194 HE1 TRP 25 HE1 TRP 25 -7.441 7.385 -2.376 195 HE3 TRP 25 HE3 TRP 25 -8.774 5.438 2.427 196 HZ2 TRP 25 HZ2 TRP 25 -10.222 7.231 -1.992 197 HZ3 TRP 25 HZ3 TRP 25 -11.164 5.671 1.879 198 HH2 TRP 25 HH2 TRP 25 -11.870 6.548 -0.301 199 HA PRO 26 HA PRO 26 -4.547 1.606 -1.454 200 1HB PRO 26 HB2 PRO 26 -6.557 2.955 -3.202 201 2HB PRO 26 HB1 PRO 26 -6.150 1.242 -3.061 202 1HG PRO 26 HG2 PRO 26 -8.379 2.185 -1.979 203 2HG PRO 26 HG1 PRO 26 -7.405 0.961 -1.142 204 1HD PRO 26 HD2 PRO 26 -7.618 3.883 -0.613 205 2HD PRO 26 HD1 PRO 26 -7.473 2.534 0.544 206 H GLU 27 HN GLU 27 -2.861 2.053 -2.748 207 HA GLU 27 HA GLU 27 -1.784 4.639 -2.631 208 1HB GLU 27 HB2 GLU 27 -0.646 2.351 -2.691 209 2HB GLU 27 HB1 GLU 27 -0.873 2.410 -4.437 210 1HG GLU 27 HG2 GLU 27 0.549 4.604 -2.980 211 2HG GLU 27 HG1 GLU 27 1.390 3.116 -3.446 212 H TYR 28 HN TYR 28 -3.619 2.947 -5.072 213 HA TYR 28 HA TYR 28 -2.833 4.694 -7.223 214 1HB TYR 28 HB2 TYR 28 -5.230 2.978 -7.525 215 2HB TYR 28 HB1 TYR 28 -3.856 3.207 -8.603 216 HD1 TYR 28 HD1 TYR 28 -1.765 1.963 -8.215 217 HD2 TYR 28 HD2 TYR 28 -5.283 1.207 -5.963 218 HE1 TYR 28 HE1 TYR 28 -0.844 -0.217 -7.502 219 HE2 TYR 28 HE2 TYR 28 -4.383 -0.964 -5.242 220 HH TYR 28 HH TYR 28 -1.075 -1.861 -5.865 221 H LYS 29 HN LYS 29 -5.130 4.808 -4.723 222 HA LYS 29 HA LYS 29 -7.118 6.155 -6.376 223 1HB LYS 29 HB2 LYS 29 -7.216 5.060 -3.574 224 2HB LYS 29 HB1 LYS 29 -8.524 6.014 -4.270 225 1HG LYS 29 HG2 LYS 29 -8.765 4.376 -6.064 226 2HG LYS 29 HG1 LYS 29 -7.488 3.384 -5.327 227 1HD LYS 29 HD2 LYS 29 -8.845 3.078 -3.335 228 2HD LYS 29 HD1 LYS 29 -10.083 4.159 -3.968 229 1HE LYS 29 HE2 LYS 29 -10.472 2.601 -5.834 230 2HE LYS 29 HE1 LYS 29 -9.226 1.532 -5.196 231 1HZ LYS 29 HZ1 LYS 29 -11.705 2.272 -3.737 232 2HZ LYS 29 HZ2 LYS 29 -10.537 1.141 -3.248 233 3HZ LYS 29 HZ3 LYS 29 -11.484 0.842 -4.612 234 H GLU 30 HN GLU 30 -8.112 8.065 -5.745 235 HA GLU 30 HA GLU 30 -6.284 10.107 -4.877 236 1HB GLU 30 HB2 GLU 30 -7.941 10.488 -6.663 237 2HB GLU 30 HB1 GLU 30 -9.230 10.180 -5.525 238 1HG GLU 30 HG2 GLU 30 -8.413 12.166 -4.231 239 2HG GLU 30 HG1 GLU 30 -7.332 12.481 -5.575 240 H ILE 31 HN ILE 31 -6.001 10.775 -2.834 241 HA ILE 31 HA ILE 31 -7.391 9.620 -0.668 242 HB ILE 31 HB ILE 31 -5.618 12.060 -0.683 243 1HG1 ILE 31 HG12 ILE 31 -4.913 9.182 -0.095 244 2HG1 ILE 31 HG11 ILE 31 -4.511 10.029 -1.584 245 1HG2 ILE 31 HG21 ILE 31 -6.928 11.954 1.340 246 2HG2 ILE 31 HG22 ILE 31 -5.264 11.540 1.708 247 3HG2 ILE 31 HG23 ILE 31 -6.476 10.260 1.593 248 1HD1 ILE 31 HD11 ILE 31 -2.617 9.921 -0.081 249 2HD1 ILE 31 HD12 ILE 31 -3.552 10.754 1.170 250 3HD1 ILE 31 HD13 ILE 31 -3.128 11.582 -0.335 251 HA PRO 32 HA PRO 32 -10.937 12.335 -0.369 252 1HB PRO 32 HB2 PRO 32 -10.602 11.789 2.547 253 2HB PRO 32 HB1 PRO 32 -12.041 11.612 1.535 254 1HG PRO 32 HG2 PRO 32 -10.660 9.460 2.322 255 2HG PRO 32 HG1 PRO 32 -11.349 9.563 0.687 256 1HD PRO 32 HD2 PRO 32 -8.521 9.928 1.587 257 2HD PRO 32 HD1 PRO 32 -9.162 9.136 0.121 258 H GLN 33 HN GLN 33 -11.278 14.448 0.126 259 HA GLN 33 HA GLN 33 -9.104 16.125 0.280 260 1HB GLN 33 HB2 GLN 33 -10.739 17.944 0.540 261 2HB GLN 33 HB1 GLN 33 -11.203 16.786 -0.694 262 1HG GLN 33 HG2 GLN 33 -12.727 15.722 0.935 263 2HG GLN 33 HG1 GLN 33 -12.326 16.986 2.099 264 1HE2 GLN 33 HE21 GLN 33 -12.164 19.047 0.055 265 2HE2 GLN 33 HE22 GLN 33 -13.804 19.402 -0.395 266 H GLY 34 HN GLY 34 -10.844 14.714 2.935 267 1HA GLY 34 HA2 GLY 34 -9.989 16.721 4.818 268 2HA GLY 34 HA1 GLY 34 -10.896 15.267 5.194 269 H TRP 35 HN TRP 35 -8.732 13.818 3.534 270 HA TRP 35 HA TRP 35 -7.057 13.343 5.898 271 1HB TRP 35 HB2 TRP 35 -7.656 11.574 3.517 272 2HB TRP 35 HB1 TRP 35 -6.580 11.137 4.843 273 HD1 TRP 35 HD1 TRP 35 -10.345 11.974 4.291 274 HE1 TRP 35 HE1 TRP 35 -11.695 10.714 6.085 275 HE3 TRP 35 HE3 TRP 35 -6.482 9.934 6.970 276 HZ2 TRP 35 HZ2 TRP 35 -11.205 9.081 8.291 277 HZ3 TRP 35 HZ3 TRP 35 -7.030 8.503 8.911 278 HH2 TRP 35 HH2 TRP 35 -9.346 8.079 9.546 279 H ARG 36 HN ARG 36 -4.855 13.111 5.759 280 HA ARG 36 HA ARG 36 -3.650 14.341 3.353 281 1HB ARG 36 HB2 ARG 36 -3.722 15.529 5.740 282 2HB ARG 36 HB1 ARG 36 -2.313 14.516 6.032 283 1HG ARG 36 HG2 ARG 36 -1.612 16.686 5.275 284 2HG ARG 36 HG1 ARG 36 -1.259 15.480 4.030 285 1HD ARG 36 HD2 ARG 36 -2.222 17.583 3.138 286 2HD ARG 36 HD1 ARG 36 -3.163 16.149 2.749 287 HE ARG 36 HE ARG 36 -4.372 17.014 5.006 288 1HH1 ARG 36 HH11 ARG 36 -3.436 18.700 2.104 289 2HH1 ARG 36 HH12 ARG 36 -4.748 19.848 2.177 290 1HH2 ARG 36 HH21 ARG 36 -6.101 18.465 5.127 291 2HH2 ARG 36 HH22 ARG 36 -6.286 19.692 3.910 292 H ALA 37 HN ALA 37 -1.847 13.351 2.517 293 HA ALA 37 HA ALA 37 -1.354 10.657 3.250 294 1HB ALA 37 HB1 ALA 37 0.194 10.631 1.403 295 2HB ALA 37 HB2 ALA 37 0.129 12.395 1.284 296 3HB ALA 37 HB3 ALA 37 -1.307 11.428 0.914 297 H ALA 38 HN ALA 38 0.246 9.813 4.437 298 HA ALA 38 HA ALA 38 2.586 11.400 5.151 299 1HB ALA 38 HB1 ALA 38 0.709 10.260 7.221 300 2HB ALA 38 HB2 ALA 38 0.956 11.965 6.873 301 3HB ALA 38 HB3 ALA 38 2.282 11.016 7.558 302 H GLY 39 HN GLY 39 4.267 10.117 6.155 303 1HA GLY 39 HA2 GLY 39 5.385 8.156 6.673 304 2HA GLY 39 HA1 GLY 39 3.887 7.263 6.440 305 H LYS 40 HN LYS 40 4.308 5.686 5.036 306 HA LYS 40 HA LYS 40 5.695 6.388 2.550 307 1HB LYS 40 HB2 LYS 40 6.115 3.921 4.243 308 2HB LYS 40 HB1 LYS 40 6.655 4.053 2.583 309 1HG LYS 40 HG2 LYS 40 7.555 5.814 4.856 310 2HG LYS 40 HG1 LYS 40 8.457 4.481 4.154 311 1HD LYS 40 HD2 LYS 40 8.260 5.732 1.934 312 2HD LYS 40 HD1 LYS 40 7.746 7.124 2.908 313 1HE LYS 40 HE2 LYS 40 10.113 7.299 2.486 314 2HE LYS 40 HE1 LYS 40 9.827 6.978 4.200 315 1HZ LYS 40 HZ1 LYS 40 11.661 5.651 3.107 316 2HZ LYS 40 HZ2 LYS 40 10.445 4.812 2.256 317 3HZ LYS 40 HZ3 LYS 40 10.488 4.753 3.950 318 H SER 41 HN SER 41 5.161 5.146 0.735 319 HA SER 41 HA SER 41 2.657 3.648 0.930 320 1HB SER 41 HB2 SER 41 2.484 4.203 -1.593 321 2HB SER 41 HB1 SER 41 2.181 5.510 -0.427 322 HG SER 41 HG SER 41 3.943 5.477 -2.372 323 H GLY 42 HN GLY 42 2.393 1.825 -0.475 324 1HA GLY 42 HA2 GLY 42 4.180 0.587 -2.095 325 2HA GLY 42 HA1 GLY 42 4.760 0.178 -0.483 326 H LEU 43 HN LEU 43 4.288 -2.040 -0.787 327 HA LEU 43 HA LEU 43 1.753 -2.989 -1.586 328 1HB LEU 43 HB2 LEU 43 4.185 -4.137 -0.349 329 2HB LEU 43 HB1 LEU 43 2.708 -5.000 -0.021 330 HG LEU 43 HG LEU 43 3.906 -5.927 -1.938 331 1HD1 LEU 43 HD11 LEU 43 2.010 -5.993 -3.490 332 2HD1 LEU 43 HD12 LEU 43 1.285 -4.644 -2.610 333 3HD1 LEU 43 HD13 LEU 43 1.529 -6.201 -1.797 334 1HD2 LEU 43 HD21 LEU 43 4.958 -3.915 -2.820 335 2HD2 LEU 43 HD22 LEU 43 3.378 -3.250 -3.218 336 3HD2 LEU 43 HD23 LEU 43 3.967 -4.684 -4.059 337 H LYS 44 HN LYS 44 0.478 -4.504 -0.020 338 HA LYS 44 HA LYS 44 -0.799 -2.776 1.774 339 1HB LYS 44 HB2 LYS 44 -2.060 -4.503 0.653 340 2HB LYS 44 HB1 LYS 44 -1.057 -5.760 1.353 341 1HG LYS 44 HG2 LYS 44 -1.910 -5.219 3.583 342 2HG LYS 44 HG1 LYS 44 -2.909 -3.945 2.868 343 1HD LYS 44 HD2 LYS 44 -4.171 -5.560 1.617 344 2HD LYS 44 HD1 LYS 44 -3.077 -6.855 2.119 345 1HE LYS 44 HE2 LYS 44 -3.778 -6.502 4.443 346 2HE LYS 44 HE1 LYS 44 -4.885 -5.241 3.910 347 1HZ LYS 44 HZ1 LYS 44 -6.089 -6.887 2.615 348 2HZ LYS 44 HZ2 LYS 44 -6.022 -7.349 4.241 349 3HZ LYS 44 HZ3 LYS 44 -5.012 -8.099 3.105 350 H LYS 45 HN LYS 45 1.217 -5.650 2.284 351 HA LYS 45 HA LYS 45 1.076 -5.597 5.079 352 1HB LYS 45 HB2 LYS 45 2.516 -7.369 5.095 353 2HB LYS 45 HB1 LYS 45 1.949 -7.462 3.440 354 1HG LYS 45 HG2 LYS 45 4.498 -6.038 4.177 355 2HG LYS 45 HG1 LYS 45 4.441 -7.775 3.852 356 1HD LYS 45 HD2 LYS 45 3.445 -7.227 1.612 357 2HD LYS 45 HD1 LYS 45 3.751 -5.524 1.965 358 1HE LYS 45 HE2 LYS 45 6.156 -6.106 2.311 359 2HE LYS 45 HE1 LYS 45 5.791 -7.738 1.745 360 1HZ LYS 45 HZ1 LYS 45 5.536 -5.203 0.207 361 2HZ LYS 45 HZ2 LYS 45 4.973 -6.716 -0.349 362 3HZ LYS 45 HZ3 LYS 45 6.633 -6.469 -0.073 363 H ASP 46 HN ASP 46 3.100 -3.869 2.850 364 HA ASP 46 HA ASP 46 5.084 -2.982 4.600 365 1HB ASP 46 HB2 ASP 46 3.934 -1.873 2.044 366 2HB ASP 46 HB1 ASP 46 5.146 -0.960 2.944 367 H CYS 47 HN CYS 47 1.894 -1.694 3.810 368 HA CYS 47 HA CYS 47 2.237 0.645 5.345 369 1HB CYS 47 HB2 CYS 47 0.716 0.451 3.354 370 2HB CYS 47 HB1 CYS 47 -0.358 -0.526 4.365 371 HG CYS 47 HG CYS 47 0.146 2.097 6.116 372 H LEU 48 HN LEU 48 0.689 -2.503 5.789 373 HA LEU 48 HA LEU 48 -0.532 -2.037 8.235 374 1HB LEU 48 HB2 LEU 48 0.674 -4.610 7.259 375 2HB LEU 48 HB1 LEU 48 -0.512 -4.444 8.535 376 HG LEU 48 HG LEU 48 -0.967 -3.866 5.608 377 1HD1 LEU 48 HD11 LEU 48 -0.838 -6.235 6.146 378 2HD1 LEU 48 HD12 LEU 48 -2.491 -5.773 5.734 379 3HD1 LEU 48 HD13 LEU 48 -2.033 -6.025 7.419 380 1HD2 LEU 48 HD21 LEU 48 -2.864 -3.682 7.945 381 2HD2 LEU 48 HD22 LEU 48 -3.295 -3.481 6.248 382 3HD2 LEU 48 HD23 LEU 48 -2.213 -2.320 7.025 383 H ALA 49 HN ALA 49 2.614 -3.430 7.505 384 HA ALA 49 HA ALA 49 3.631 -3.791 10.052 385 1HB ALA 49 HB1 ALA 49 5.839 -3.591 9.042 386 2HB ALA 49 HB2 ALA 49 5.133 -2.876 7.595 387 3HB ALA 49 HB3 ALA 49 4.777 -4.554 8.026 388 H TYR 50 HN TYR 50 3.770 -0.926 7.993 389 HA TYR 50 HA TYR 50 5.215 0.778 9.618 390 1HB TYR 50 HB2 TYR 50 4.573 1.254 7.273 391 2HB TYR 50 HB1 TYR 50 2.918 1.551 7.825 392 HD1 TYR 50 HD1 TYR 50 2.389 3.540 9.150 393 HD2 TYR 50 HD2 TYR 50 6.326 2.893 7.655 394 HE1 TYR 50 HE1 TYR 50 2.950 5.896 9.599 395 HE2 TYR 50 HE2 TYR 50 6.881 5.260 8.102 396 HH TYR 50 HH TYR 50 4.855 7.288 9.965 397 H ILE 51 HN ILE 51 1.731 0.052 9.758 398 HA ILE 51 HA ILE 51 1.126 2.222 11.510 399 HB ILE 51 HB ILE 51 -0.513 -0.288 11.092 400 1HG1 ILE 51 HG12 ILE 51 -0.119 0.577 8.904 401 2HG1 ILE 51 HG11 ILE 51 -1.741 1.094 9.372 402 1HG2 ILE 51 HG21 ILE 51 -1.317 2.478 11.955 403 2HG2 ILE 51 HG22 ILE 51 -1.222 1.047 12.978 404 3HG2 ILE 51 HG23 ILE 51 -2.409 1.118 11.681 405 1HD1 ILE 51 HD11 ILE 51 -0.900 3.306 9.898 406 2HD1 ILE 51 HD12 ILE 51 -0.501 2.864 8.242 407 3HD1 ILE 51 HD13 ILE 51 0.747 2.796 9.500 408 H GLU 52 HN GLU 52 1.894 -1.171 11.943 409 HA GLU 52 HA GLU 52 1.309 -1.386 14.678 410 1HB GLU 52 HB2 GLU 52 1.843 -3.266 13.078 411 2HB GLU 52 HB1 GLU 52 3.538 -2.829 13.249 412 1HG GLU 52 HG2 GLU 52 3.133 -4.641 14.708 413 2HG GLU 52 HG1 GLU 52 3.307 -3.189 15.715 414 H GLU 53 HN GLU 53 4.212 -0.321 13.023 415 HA GLU 53 HA GLU 53 6.082 -0.289 14.984 416 1HB GLU 53 HB2 GLU 53 5.680 1.894 12.948 417 2HB GLU 53 HB1 GLU 53 7.168 1.600 13.846 418 1HG GLU 53 HG2 GLU 53 5.866 -0.412 12.040 419 2HG GLU 53 HG1 GLU 53 7.122 0.713 11.504 420 H VAL 54 HN VAL 54 4.205 3.184 16.182 421 HA VAL 54 HA VAL 54 3.733 2.131 13.494 422 HB VAL 54 HB VAL 54 1.832 3.145 14.578 423 1HG1 VAL 54 HG11 VAL 54 2.979 4.577 16.141 424 2HG1 VAL 54 HG12 VAL 54 1.808 5.513 15.210 425 3HG1 VAL 54 HG13 VAL 54 3.525 5.608 14.827 426 1HG2 VAL 54 HG21 VAL 54 1.123 4.740 12.931 427 2HG2 VAL 54 HG22 VAL 54 2.127 3.538 12.119 428 3HG2 VAL 54 HG23 VAL 54 2.785 5.120 12.511 429 H TRP 55 HN TRP 55 5.447 4.748 15.120 430 HA TRP 55 HA TRP 55 7.295 4.776 12.880 431 1HB TRP 55 HB2 TRP 55 5.663 6.747 12.704 432 2HB TRP 55 HB1 TRP 55 6.385 7.356 14.183 433 HD1 TRP 55 HD1 TRP 55 7.509 6.340 10.633 434 HE1 TRP 55 HE1 TRP 55 9.445 7.871 9.935 435 HE3 TRP 55 HE3 TRP 55 8.031 9.019 14.963 436 HZ2 TRP 55 HZ2 TRP 55 10.998 9.953 11.076 437 HZ3 TRP 55 HZ3 TRP 55 9.763 10.753 15.078 438 HH2 TRP 55 HH2 TRP 55 11.228 11.214 13.173 439 H THR 56 HN THR 56 7.206 3.574 15.479 440 HA THR 56 HA THR 56 9.656 4.237 16.602 441 HB THR 56 HB THR 56 8.729 6.307 17.387 442 HG1 THR 56 HG1 THR 56 9.816 4.594 18.938 443 1HG2 THR 56 HG21 THR 56 6.350 5.754 17.250 444 2HG2 THR 56 HG22 THR 56 6.743 6.418 18.839 445 3HG2 THR 56 HG23 THR 56 6.511 4.673 18.624 446 H ASP 57 HN ASP 57 9.691 1.981 16.414 447 HA ASP 57 HA ASP 57 8.116 0.380 18.199 448 1HB ASP 57 HB2 ASP 57 8.966 -0.660 16.179 449 2HB ASP 57 HB1 ASP 57 10.620 -0.255 16.622 450 H MET 58 HN MET 58 8.358 0.958 20.284 451 HA MET 58 HA MET 58 11.075 0.765 21.386 452 1HB MET 58 HB2 MET 58 10.247 3.152 21.167 453 2HB MET 58 HB1 MET 58 9.015 2.750 22.365 454 1HG MET 58 HG2 MET 58 10.919 3.888 23.365 455 2HG MET 58 HG1 MET 58 10.742 2.252 24.005 456 1HE MET 58 HE1 MET 58 14.615 2.849 24.064 457 2HE MET 58 HE2 MET 58 13.175 2.480 25.001 458 3HE MET 58 HE3 MET 58 13.401 4.086 24.310 459 H ARG 59 HN ARG 59 7.837 -0.151 21.466 460 HA ARG 59 HA ARG 59 8.266 -1.521 24.031 461 1HB ARG 59 HB2 ARG 59 5.677 -0.325 23.057 462 2HB ARG 59 HB1 ARG 59 5.861 -1.299 24.519 463 1HG ARG 59 HG2 ARG 59 7.380 0.423 25.429 464 2HG ARG 59 HG1 ARG 59 7.098 1.399 23.985 465 1HD ARG 59 HD2 ARG 59 5.000 0.522 25.965 466 2HD ARG 59 HD1 ARG 59 5.687 2.129 25.842 467 HE ARG 59 HE ARG 59 4.513 1.223 23.405 468 1HH1 ARG 59 HH11 ARG 59 3.930 2.868 26.425 469 2HH1 ARG 59 HH12 ARG 59 2.447 3.610 25.886 470 1HH2 ARG 59 HH21 ARG 59 2.645 2.230 22.655 471 2HH2 ARG 59 HH22 ARG 59 1.716 3.248 23.715 472 HA PRO 60 HA PRO 60 7.328 -5.022 21.416 473 1HB PRO 60 HB2 PRO 60 7.577 -6.916 23.356 474 2HB PRO 60 HB1 PRO 60 8.984 -6.169 22.571 475 1HG PRO 60 HG2 PRO 60 7.712 -5.538 25.222 476 2HG PRO 60 HG1 PRO 60 9.435 -5.669 24.800 477 1HD PRO 60 HD2 PRO 60 8.172 -3.290 25.010 478 2HD PRO 60 HD1 PRO 60 9.500 -3.549 23.891 479 H LEU 61 HN LEU 61 5.146 -3.832 21.529 480 HA LEU 61 HA LEU 61 3.191 -4.467 23.407 481 1HB LEU 61 HB2 LEU 61 1.602 -3.764 21.609 482 2HB LEU 61 HB1 LEU 61 2.834 -2.598 22.016 483 HG LEU 61 HG LEU 61 4.102 -3.606 19.977 484 1HD1 LEU 61 HD11 LEU 61 2.642 -4.410 18.198 485 2HD1 LEU 61 HD12 LEU 61 1.267 -4.380 19.313 486 3HD1 LEU 61 HD13 LEU 61 2.606 -5.499 19.585 487 1HD2 LEU 61 HD21 LEU 61 3.303 -1.321 20.082 488 2HD2 LEU 61 HD22 LEU 61 1.675 -1.840 19.664 489 3HD2 LEU 61 HD23 LEU 61 2.989 -2.008 18.490 490 H SER 62 HN SER 62 4.519 -6.368 20.951 491 HA SER 62 HA SER 62 2.466 -8.079 20.215 492 1HB SER 62 HB2 SER 62 4.373 -9.723 19.814 493 2HB SER 62 HB1 SER 62 4.498 -8.152 19.009 494 HG SER 62 HG SER 62 6.316 -7.912 19.989 495 H LEU 63 HN LEU 63 4.618 -8.150 23.031 496 HA LEU 63 HA LEU 63 3.086 -10.436 24.066 497 1HB LEU 63 HB2 LEU 63 5.015 -10.707 25.676 498 2HB LEU 63 HB1 LEU 63 5.369 -11.053 23.984 499 HG LEU 63 HG LEU 63 6.276 -8.632 23.896 500 1HD1 LEU 63 HD11 LEU 63 6.364 -9.079 26.869 501 2HD1 LEU 63 HD12 LEU 63 5.383 -7.881 26.024 502 3HD1 LEU 63 HD13 LEU 63 7.143 -7.751 25.983 503 1HD2 LEU 63 HD21 LEU 63 7.720 -10.749 25.493 504 2HD2 LEU 63 HD22 LEU 63 8.472 -9.368 24.693 505 3HD2 LEU 63 HD23 LEU 63 7.674 -10.618 23.733 506 H ARG 64 HN ARG 64 2.902 -7.262 24.193 507 HA ARG 64 HA ARG 64 2.766 -6.984 27.090 508 1HB ARG 64 HB2 ARG 64 2.785 -5.011 24.838 509 2HB ARG 64 HB1 ARG 64 2.163 -4.535 26.402 510 1HG ARG 64 HG2 ARG 64 4.900 -5.655 25.885 511 2HG ARG 64 HG1 ARG 64 4.524 -3.942 26.126 512 1HD ARG 64 HD2 ARG 64 3.736 -4.410 28.373 513 2HD ARG 64 HD1 ARG 64 3.982 -6.131 28.132 514 HE ARG 64 HE ARG 64 6.373 -4.600 27.735 515 1HH1 ARG 64 HH11 ARG 64 4.313 -6.157 30.134 516 2HH1 ARG 64 HH12 ARG 64 5.606 -6.412 31.266 517 1HH2 ARG 64 HH21 ARG 64 8.080 -4.977 29.248 518 2HH2 ARG 64 HH22 ARG 64 7.737 -5.747 30.769 519 H GLN 65 HN GLN 65 0.707 -8.052 24.823 520 HA GLN 65 HA GLN 65 -1.547 -7.542 26.542 521 1HB GLN 65 HB2 GLN 65 -2.986 -6.755 24.755 522 2HB GLN 65 HB1 GLN 65 -1.591 -5.700 24.897 523 1HG GLN 65 HG2 GLN 65 -0.551 -6.807 22.990 524 2HG GLN 65 HG1 GLN 65 -1.950 -7.872 22.844 525 1HE2 GLN 65 HE21 GLN 65 -2.106 -4.492 23.657 526 2HE2 GLN 65 HE22 GLN 65 -2.863 -3.950 22.203 527 H HIS 66 HN HIS 66 -3.178 -9.073 26.369 528 HA HIS 66 HA HIS 66 -2.370 -11.532 25.059 529 1HB HIS 66 HB2 HIS 66 -3.113 -11.473 27.496 530 2HB HIS 66 HB1 HIS 66 -4.741 -11.106 26.906 531 HD1 HIS 66 HD1 HIS 66 -2.259 -13.878 27.273 532 HD2 HIS 66 HD2 HIS 66 -6.049 -13.276 25.625 533 HE1 HIS 66 HE1 HIS 66 -3.191 -16.180 26.804 534 HE2 HIS 66 HE2 HIS 66 -5.418 -15.787 25.683 535 H MET 67 HN MET 67 -5.337 -9.579 25.387 536 HA MET 67 HA MET 67 -5.987 -10.371 22.619 537 1HB MET 67 HB2 MET 67 -8.276 -9.389 23.137 538 2HB MET 67 HB1 MET 67 -7.881 -10.921 23.899 539 1HG MET 67 HG2 MET 67 -7.516 -8.315 25.329 540 2HG MET 67 HG1 MET 67 -9.056 -9.163 25.303 541 1HE MET 67 HE1 MET 67 -7.772 -8.439 28.022 542 2HE MET 67 HE2 MET 67 -7.888 -9.968 28.901 543 3HE MET 67 HE3 MET 67 -9.221 -9.422 27.886 544 H ASP 68 HN ASP 68 -6.103 -7.508 24.772 545 HA ASP 68 HA ASP 68 -4.736 -5.800 23.050 546 1HB ASP 68 HB2 ASP 68 -6.625 -6.031 21.491 547 2HB ASP 68 HB1 ASP 68 -7.733 -5.520 22.764 548 H LYS 69 HN LYS 69 -3.883 -5.047 24.984 549 HA LYS 69 HA LYS 69 -4.724 -2.560 25.678 550 1HB LYS 69 HB2 LYS 69 -6.664 -3.729 26.796 551 2HB LYS 69 HB1 LYS 69 -5.492 -4.446 27.913 552 1HG LYS 69 HG2 LYS 69 -4.810 -2.176 28.609 553 2HG LYS 69 HG1 LYS 69 -6.059 -1.508 27.563 554 1HD LYS 69 HD2 LYS 69 -6.531 -3.372 29.903 555 2HD LYS 69 HD1 LYS 69 -6.830 -1.638 29.876 556 1HE LYS 69 HE2 LYS 69 -8.482 -1.957 28.078 557 2HE LYS 69 HE1 LYS 69 -8.183 -3.692 28.164 558 1HZ LYS 69 HZ1 LYS 69 -8.907 -3.613 30.499 559 2HZ LYS 69 HZ2 LYS 69 -10.128 -3.186 29.416 560 3HZ LYS 69 HZ3 LYS 69 -9.326 -1.981 30.300 561 H ALA 70 HN ALA 70 -3.890 -4.930 28.170 562 HA ALA 70 HA ALA 70 -1.074 -4.363 28.182 563 1HB ALA 70 HB1 ALA 70 -0.982 -3.132 30.275 564 2HB ALA 70 HB2 ALA 70 -2.742 -3.116 30.374 565 3HB ALA 70 HB3 ALA 70 -1.926 -2.217 29.088 566 H ALA 71 HN ALA 71 -0.233 -6.199 28.893 567 HA ALA 71 HA ALA 71 -0.010 -8.258 29.793 568 1HB ALA 71 HB1 ALA 71 -1.173 -8.850 31.869 569 2HB ALA 71 HB2 ALA 71 -2.123 -7.362 31.749 570 3HB ALA 71 HB3 ALA 71 -0.372 -7.275 31.991 571 H GLY 72 HN GLY 72 -3.473 -7.482 29.991 572 1HA GLY 72 HA2 GLY 72 -3.995 -9.723 28.161 573 2HA GLY 72 HA1 GLY 72 -5.161 -9.052 29.298 Start of MODEL 13 1 1H MET 1 HT1 MET 1 15.322 -12.133 -3.675 2 2H MET 1 HT2 MET 1 16.649 -13.093 -3.278 3 3H MET 1 HT3 MET 1 16.239 -11.788 -2.291 4 HA MET 1 HA MET 1 14.608 -14.224 -2.733 5 1HB MET 1 HB2 MET 1 16.141 -13.251 -0.316 6 2HB MET 1 HB1 MET 1 15.057 -14.633 -0.318 7 1HG MET 1 HG2 MET 1 16.482 -15.748 -1.959 8 2HG MET 1 HG1 MET 1 17.574 -14.357 -1.945 9 1HE MET 1 HE1 MET 1 18.539 -17.330 -1.485 10 2HE MET 1 HE2 MET 1 19.632 -17.150 -0.108 11 3HE MET 1 HE3 MET 1 19.626 -15.953 -1.412 12 H THR 2 HN THR 2 12.539 -14.184 -2.009 13 HA THR 2 HA THR 2 11.589 -11.817 -0.636 14 HB THR 2 HB THR 2 11.471 -10.972 -2.825 15 HG1 THR 2 HG1 THR 2 8.832 -11.975 -2.621 16 1HG2 THR 2 HG21 THR 2 10.410 -12.186 -4.679 17 2HG2 THR 2 HG22 THR 2 10.200 -13.582 -3.649 18 3HG2 THR 2 HG23 THR 2 11.817 -13.028 -4.053 19 H SER 3 HN SER 3 9.566 -12.024 0.306 20 HA SER 3 HA SER 3 8.314 -14.673 0.059 21 1HB SER 3 HB2 SER 3 7.703 -14.321 2.530 22 2HB SER 3 HB1 SER 3 9.388 -14.732 2.168 23 HG SER 3 HG SER 3 9.955 -12.587 2.461 24 H VAL 4 HN VAL 4 7.894 -11.216 0.688 25 HA VAL 4 HA VAL 4 5.017 -11.556 0.217 26 HB VAL 4 HB VAL 4 6.346 -9.300 1.717 27 1HG1 VAL 4 HG11 VAL 4 3.427 -10.005 1.372 28 2HG1 VAL 4 HG12 VAL 4 4.277 -8.648 0.652 29 3HG1 VAL 4 HG13 VAL 4 4.055 -8.716 2.408 30 1HG2 VAL 4 HG21 VAL 4 5.412 -10.316 3.733 31 2HG2 VAL 4 HG22 VAL 4 6.525 -11.409 2.938 32 3HG2 VAL 4 HG23 VAL 4 4.787 -11.667 2.781 33 H PHE 5 HN PHE 5 7.835 -9.469 -0.506 34 HA PHE 5 HA PHE 5 6.178 -7.562 -1.840 35 1HB PHE 5 HB2 PHE 5 8.200 -6.317 -2.313 36 2HB PHE 5 HB1 PHE 5 8.206 -6.849 -0.634 37 HD1 PHE 5 HD1 PHE 5 9.672 -7.429 -3.974 38 HD2 PHE 5 HD2 PHE 5 9.916 -8.211 0.200 39 HE1 PHE 5 HE1 PHE 5 11.918 -8.377 -4.290 40 HE2 PHE 5 HE2 PHE 5 12.175 -9.155 -0.108 41 HZ PHE 5 HZ PHE 5 13.169 -9.212 -2.332 42 H ASP 6 HN ASP 6 7.101 -10.507 -2.927 43 HA ASP 6 HA ASP 6 7.714 -9.663 -5.636 44 1HB ASP 6 HB2 ASP 6 7.841 -12.063 -6.155 45 2HB ASP 6 HB1 ASP 6 8.803 -11.652 -4.737 46 H ARG 7 HN ARG 7 4.916 -10.181 -3.804 47 HA ARG 7 HA ARG 7 3.339 -10.770 -6.207 48 1HB ARG 7 HB2 ARG 7 1.469 -11.285 -4.709 49 2HB ARG 7 HB1 ARG 7 2.895 -12.259 -4.359 50 1HG ARG 7 HG2 ARG 7 3.408 -10.911 -2.433 51 2HG ARG 7 HG1 ARG 7 2.084 -9.805 -2.811 52 1HD ARG 7 HD2 ARG 7 0.443 -11.464 -2.406 53 2HD ARG 7 HD1 ARG 7 1.670 -12.734 -2.274 54 HE ARG 7 HE ARG 7 2.450 -11.414 -0.252 55 1HH1 ARG 7 HH11 ARG 7 -0.884 -11.555 -1.312 56 2HH1 ARG 7 HH12 ARG 7 -1.514 -11.219 0.281 57 1HH2 ARG 7 HH21 ARG 7 1.618 -11.031 1.844 58 2HH2 ARG 7 HH22 ARG 7 -0.102 -10.912 2.082 59 H ASP 8 HN ASP 8 1.570 -9.513 -6.751 60 HA ASP 8 HA ASP 8 1.855 -6.717 -6.218 61 1HB ASP 8 HB2 ASP 8 1.123 -7.420 -8.399 62 2HB ASP 8 HB1 ASP 8 -0.265 -8.255 -7.685 63 H ASP 9 HN ASP 9 -0.898 -8.887 -5.777 64 HA ASP 9 HA ASP 9 -2.624 -8.974 -4.344 65 1HB ASP 9 HB2 ASP 9 -0.833 -9.331 -2.682 66 2HB ASP 9 HB1 ASP 9 -0.742 -7.598 -2.420 67 H ILE 10 HN ILE 10 -1.273 -5.955 -3.116 68 HA ILE 10 HA ILE 10 -2.813 -4.178 -4.601 69 HB ILE 10 HB ILE 10 -4.735 -5.141 -3.449 70 1HG1 ILE 10 HG12 ILE 10 -5.594 -3.057 -2.313 71 2HG1 ILE 10 HG11 ILE 10 -3.985 -2.366 -2.518 72 1HG2 ILE 10 HG21 ILE 10 -3.627 -5.998 -1.477 73 2HG2 ILE 10 HG22 ILE 10 -4.985 -4.970 -1.019 74 3HG2 ILE 10 HG23 ILE 10 -3.336 -4.355 -0.906 75 1HD1 ILE 10 HD11 ILE 10 -5.810 -3.257 -4.729 76 2HD1 ILE 10 HD12 ILE 10 -4.184 -2.616 -4.936 77 3HD1 ILE 10 HD13 ILE 10 -5.455 -1.597 -4.267 78 H GLN 11 HN GLN 11 -2.165 -2.084 -4.216 79 HA GLN 11 HA GLN 11 -0.158 -1.782 -2.092 80 1HB GLN 11 HB2 GLN 11 -0.467 -0.315 -4.727 81 2HB GLN 11 HB1 GLN 11 0.678 0.178 -3.465 82 1HG GLN 11 HG2 GLN 11 1.978 -1.019 -4.966 83 2HG GLN 11 HG1 GLN 11 1.634 -2.192 -3.687 84 1HE2 GLN 11 HE21 GLN 11 1.964 -3.970 -5.013 85 2HE2 GLN 11 HE22 GLN 11 0.829 -4.405 -6.256 86 H PHE 12 HN PHE 12 -0.249 -0.128 -0.683 87 HA PHE 12 HA PHE 12 -2.625 1.614 -0.821 88 1HB PHE 12 HB2 PHE 12 -1.451 0.234 1.594 89 2HB PHE 12 HB1 PHE 12 -2.718 1.465 1.664 90 HD1 PHE 12 HD1 PHE 12 -1.956 -2.027 1.212 91 HD2 PHE 12 HD2 PHE 12 -4.941 0.932 0.639 92 HE1 PHE 12 HE1 PHE 12 -3.657 -3.787 1.035 93 HE2 PHE 12 HE2 PHE 12 -6.655 -0.816 0.461 94 HZ PHE 12 HZ PHE 12 -6.005 -3.195 0.672 95 H GLN 13 HN GLN 13 -2.371 3.369 0.869 96 HA GLN 13 HA GLN 13 0.370 4.139 1.448 97 1HB GLN 13 HB2 GLN 13 -0.145 6.517 0.888 98 2HB GLN 13 HB1 GLN 13 -0.152 5.445 -0.517 99 1HG GLN 13 HG2 GLN 13 -2.603 5.380 -0.429 100 2HG GLN 13 HG1 GLN 13 -2.565 6.523 0.927 101 1HE2 GLN 13 HE21 GLN 13 -1.945 8.662 0.518 102 2HE2 GLN 13 HE22 GLN 13 -1.942 9.335 -1.079 103 H VAL 14 HN VAL 14 0.512 5.356 3.432 104 HA VAL 14 HA VAL 14 -1.820 4.836 5.101 105 HB VAL 14 HB VAL 14 0.893 5.885 5.963 106 1HG1 VAL 14 HG11 VAL 14 -1.362 4.609 7.508 107 2HG1 VAL 14 HG12 VAL 14 -0.923 6.322 7.538 108 3HG1 VAL 14 HG13 VAL 14 0.188 5.114 8.180 109 1HG2 VAL 14 HG21 VAL 14 -0.097 3.036 6.039 110 2HG2 VAL 14 HG22 VAL 14 1.470 3.614 6.602 111 3HG2 VAL 14 HG23 VAL 14 1.068 3.656 4.876 112 H VAL 15 HN VAL 15 -3.188 6.431 5.639 113 HA VAL 15 HA VAL 15 -2.262 9.186 5.183 114 HB VAL 15 HB VAL 15 -4.698 9.755 4.887 115 1HG1 VAL 15 HG11 VAL 15 -4.832 8.823 2.593 116 2HG1 VAL 15 HG12 VAL 15 -3.490 7.751 2.978 117 3HG1 VAL 15 HG13 VAL 15 -3.243 9.500 2.956 118 1HG2 VAL 15 HG21 VAL 15 -5.679 7.837 6.016 119 2HG2 VAL 15 HG22 VAL 15 -5.008 6.752 4.803 120 3HG2 VAL 15 HG23 VAL 15 -6.249 7.920 4.353 121 H VAL 16 HN VAL 16 -2.857 10.758 6.665 122 HA VAL 16 HA VAL 16 -3.873 9.715 9.232 123 HB VAL 16 HB VAL 16 -1.519 10.363 9.429 124 1HG1 VAL 16 HG11 VAL 16 -2.410 13.106 8.591 125 2HG1 VAL 16 HG12 VAL 16 -1.346 12.006 7.686 126 3HG1 VAL 16 HG13 VAL 16 -0.819 12.679 9.229 127 1HG2 VAL 16 HG21 VAL 16 -1.743 11.926 11.342 128 2HG2 VAL 16 HG22 VAL 16 -2.937 10.612 11.382 129 3HG2 VAL 16 HG23 VAL 16 -3.413 12.233 10.856 130 H ASN 17 HN ASN 17 -5.591 10.704 10.077 131 HA ASN 17 HA ASN 17 -6.990 12.697 8.518 132 1HB ASN 17 HB2 ASN 17 -8.111 10.803 9.731 133 2HB ASN 17 HB1 ASN 17 -7.641 11.525 11.260 134 1HD2 ASN 17 HD21 ASN 17 -9.718 11.777 8.490 135 2HD2 ASN 17 HD22 ASN 17 -10.798 12.949 9.151 136 H HIS 18 HN HIS 18 -7.805 14.693 9.652 137 HA HIS 18 HA HIS 18 -5.603 16.178 10.726 138 1HB HIS 18 HB2 HIS 18 -7.547 17.058 9.300 139 2HB HIS 18 HB1 HIS 18 -8.501 16.998 10.770 140 HD1 HIS 18 HD1 HIS 18 -8.647 19.228 11.817 141 HD2 HIS 18 HD2 HIS 18 -5.025 18.688 9.845 142 HE1 HIS 18 HE1 HIS 18 -7.387 21.379 12.123 143 HE2 HIS 18 HE2 HIS 18 -5.307 21.104 10.718 144 H GLU 19 HN GLU 19 -7.537 13.945 12.099 145 HA GLU 19 HA GLU 19 -7.531 15.119 14.801 146 1HB GLU 19 HB2 GLU 19 -9.454 13.709 13.513 147 2HB GLU 19 HB1 GLU 19 -8.609 12.415 14.343 148 1HG GLU 19 HG2 GLU 19 -9.547 14.852 15.795 149 2HG GLU 19 HG1 GLU 19 -10.625 13.515 15.488 150 H GLU 20 HN GLU 20 -5.326 13.916 13.001 151 HA GLU 20 HA GLU 20 -3.400 12.737 13.207 152 1HB GLU 20 HB2 GLU 20 -3.453 14.144 15.350 153 2HB GLU 20 HB1 GLU 20 -3.900 12.657 16.179 154 1HG GLU 20 HG2 GLU 20 -1.507 13.090 16.336 155 2HG GLU 20 HG1 GLU 20 -1.832 11.621 15.418 156 H GLN 21 HN GLN 21 -5.921 11.308 12.905 157 HA GLN 21 HA GLN 21 -5.317 8.768 14.248 158 1HB GLN 21 HB2 GLN 21 -7.630 9.993 14.330 159 2HB GLN 21 HB1 GLN 21 -7.834 9.334 12.717 160 1HG GLN 21 HG2 GLN 21 -7.086 7.524 14.967 161 2HG GLN 21 HG1 GLN 21 -8.759 8.058 14.792 162 1HE2 GLN 21 HE21 GLN 21 -8.638 8.148 11.899 163 2HE2 GLN 21 HE22 GLN 21 -8.643 6.496 11.360 164 H TYR 22 HN TYR 22 -4.612 7.076 13.054 165 HA TYR 22 HA TYR 22 -3.966 7.717 10.264 166 1HB TYR 22 HB2 TYR 22 -2.921 5.470 12.021 167 2HB TYR 22 HB1 TYR 22 -2.287 5.944 10.448 168 HD1 TYR 22 HD1 TYR 22 -1.202 8.190 10.198 169 HD2 TYR 22 HD2 TYR 22 -2.218 6.587 14.014 170 HE1 TYR 22 HE1 TYR 22 0.328 9.799 11.274 171 HE2 TYR 22 HE2 TYR 22 -0.683 8.195 15.094 172 HH TYR 22 HH TYR 22 0.477 10.897 13.619 173 H SER 23 HN SER 23 -4.324 6.306 8.567 174 HA SER 23 HA SER 23 -5.824 3.865 8.994 175 1HB SER 23 HB2 SER 23 -7.548 5.687 8.903 176 2HB SER 23 HB1 SER 23 -6.978 6.096 7.285 177 HG SER 23 HG SER 23 -8.511 3.933 8.152 178 H ILE 24 HN ILE 24 -6.368 2.968 6.609 179 HA ILE 24 HA ILE 24 -3.918 3.378 5.011 180 HB ILE 24 HB ILE 24 -4.166 1.060 4.220 181 1HG1 ILE 24 HG12 ILE 24 -6.394 0.792 6.263 182 2HG1 ILE 24 HG11 ILE 24 -6.650 0.939 4.517 183 1HG2 ILE 24 HG21 ILE 24 -4.151 1.310 7.235 184 2HG2 ILE 24 HG22 ILE 24 -2.760 1.471 6.161 185 3HG2 ILE 24 HG23 ILE 24 -3.562 -0.081 6.326 186 1HD1 ILE 24 HD11 ILE 24 -5.510 -1.134 4.137 187 2HD1 ILE 24 HD12 ILE 24 -6.774 -1.387 5.348 188 3HD1 ILE 24 HD13 ILE 24 -5.078 -1.259 5.844 189 H TRP 25 HN TRP 25 -4.145 3.682 2.852 190 HA TRP 25 HA TRP 25 -6.858 3.677 1.749 191 1HB TRP 25 HB2 TRP 25 -6.141 5.975 2.578 192 2HB TRP 25 HB1 TRP 25 -4.887 5.938 1.345 193 HD1 TRP 25 HD1 TRP 25 -5.588 6.542 -1.108 194 HE1 TRP 25 HE1 TRP 25 -7.754 7.417 -2.165 195 HE3 TRP 25 HE3 TRP 25 -8.744 5.681 2.801 196 HZ2 TRP 25 HZ2 TRP 25 -10.492 7.650 -1.425 197 HZ3 TRP 25 HZ3 TRP 25 -11.125 6.244 2.544 198 HH2 TRP 25 HH2 TRP 25 -11.971 7.217 0.463 199 HA PRO 26 HA PRO 26 -4.702 1.407 -1.456 200 1HB PRO 26 HB2 PRO 26 -7.033 2.292 -3.084 201 2HB PRO 26 HB1 PRO 26 -6.396 0.669 -2.823 202 1HG PRO 26 HG2 PRO 26 -8.651 1.469 -1.630 203 2HG PRO 26 HG1 PRO 26 -7.485 0.421 -0.805 204 1HD PRO 26 HD2 PRO 26 -7.999 3.351 -0.475 205 2HD PRO 26 HD1 PRO 26 -7.581 2.119 0.745 206 H GLU 27 HN GLU 27 -3.175 2.107 -2.855 207 HA GLU 27 HA GLU 27 -2.625 4.842 -2.831 208 1HB GLU 27 HB2 GLU 27 -0.859 3.134 -2.919 209 2HB GLU 27 HB1 GLU 27 -1.361 2.706 -4.564 210 1HG GLU 27 HG2 GLU 27 -0.840 5.023 -5.251 211 2HG GLU 27 HG1 GLU 27 -0.243 5.334 -3.625 212 H TYR 28 HN TYR 28 -4.067 2.755 -5.262 213 HA TYR 28 HA TYR 28 -3.740 4.493 -7.439 214 1HB TYR 28 HB2 TYR 28 -5.314 3.062 -8.608 215 2HB TYR 28 HB1 TYR 28 -4.158 2.096 -7.718 216 HD1 TYR 28 HD1 TYR 28 -7.649 2.914 -8.171 217 HD2 TYR 28 HD2 TYR 28 -4.866 0.946 -5.615 218 HE1 TYR 28 HE1 TYR 28 -9.477 1.677 -7.123 219 HE2 TYR 28 HE2 TYR 28 -6.720 -0.273 -4.540 220 HH TYR 28 HH TYR 28 -9.957 -0.183 -5.818 221 H LYS 29 HN LYS 29 -5.847 4.651 -4.775 222 HA LYS 29 HA LYS 29 -7.828 6.231 -6.246 223 1HB LYS 29 HB2 LYS 29 -7.869 5.272 -3.383 224 2HB LYS 29 HB1 LYS 29 -9.139 6.239 -4.143 225 1HG LYS 29 HG2 LYS 29 -9.327 4.355 -5.830 226 2HG LYS 29 HG1 LYS 29 -8.334 3.402 -4.726 227 1HD LYS 29 HD2 LYS 29 -11.006 4.664 -4.125 228 2HD LYS 29 HD1 LYS 29 -10.681 2.935 -4.316 229 1HE LYS 29 HE2 LYS 29 -9.267 2.979 -2.337 230 2HE LYS 29 HE1 LYS 29 -9.519 4.713 -2.161 231 1HZ LYS 29 HZ1 LYS 29 -11.911 4.270 -1.899 232 2HZ LYS 29 HZ2 LYS 29 -10.985 3.543 -0.687 233 3HZ LYS 29 HZ3 LYS 29 -11.601 2.602 -1.951 234 H GLU 30 HN GLU 30 -8.331 8.322 -5.736 235 HA GLU 30 HA GLU 30 -6.286 9.981 -4.629 236 1HB GLU 30 HB2 GLU 30 -7.655 10.795 -6.435 237 2HB GLU 30 HB1 GLU 30 -9.114 10.544 -5.493 238 1HG GLU 30 HG2 GLU 30 -8.239 12.252 -3.886 239 2HG GLU 30 HG1 GLU 30 -6.963 12.594 -5.051 240 H ILE 31 HN ILE 31 -6.168 10.890 -2.580 241 HA ILE 31 HA ILE 31 -7.880 9.721 -0.577 242 HB ILE 31 HB ILE 31 -6.494 11.031 1.013 243 1HG1 ILE 31 HG12 ILE 31 -4.990 11.906 -1.464 244 2HG1 ILE 31 HG11 ILE 31 -6.043 12.950 -0.494 245 1HG2 ILE 31 HG21 ILE 31 -5.814 8.790 0.363 246 2HG2 ILE 31 HG22 ILE 31 -4.401 9.806 0.643 247 3HG2 ILE 31 HG23 ILE 31 -4.916 9.457 -1.002 248 1HD1 ILE 31 HD11 ILE 31 -3.486 11.629 0.401 249 2HD1 ILE 31 HD12 ILE 31 -4.525 12.597 1.427 250 3HD1 ILE 31 HD13 ILE 31 -3.700 13.339 0.058 251 HA PRO 32 HA PRO 32 -10.803 13.023 -0.384 252 1HB PRO 32 HB2 PRO 32 -11.251 12.426 2.436 253 2HB PRO 32 HB1 PRO 32 -12.317 12.136 1.059 254 1HG PRO 32 HG2 PRO 32 -11.094 10.130 2.425 255 2HG PRO 32 HG1 PRO 32 -11.503 10.006 0.707 256 1HD PRO 32 HD2 PRO 32 -8.875 10.619 2.029 257 2HD PRO 32 HD1 PRO 32 -9.215 9.591 0.619 258 H GLN 33 HN GLN 33 -11.148 15.076 0.513 259 HA GLN 33 HA GLN 33 -8.831 16.413 1.400 260 1HB GLN 33 HB2 GLN 33 -10.620 17.526 0.131 261 2HB GLN 33 HB1 GLN 33 -11.703 17.352 1.512 262 1HG GLN 33 HG2 GLN 33 -10.896 19.586 1.461 263 2HG GLN 33 HG1 GLN 33 -10.150 18.736 2.824 264 1HE2 GLN 33 HE21 GLN 33 -9.298 21.130 1.387 265 2HE2 GLN 33 HE22 GLN 33 -7.702 20.782 0.811 266 H GLY 34 HN GLY 34 -7.965 16.375 3.350 267 1HA GLY 34 HA2 GLY 34 -8.494 17.055 5.717 268 2HA GLY 34 HA1 GLY 34 -9.744 15.825 5.656 269 H TRP 35 HN TRP 35 -7.721 14.206 3.928 270 HA TRP 35 HA TRP 35 -6.247 13.116 6.209 271 1HB TRP 35 HB2 TRP 35 -6.887 11.889 3.506 272 2HB TRP 35 HB1 TRP 35 -6.018 11.085 4.825 273 HD1 TRP 35 HD1 TRP 35 -9.539 12.289 3.873 274 HE1 TRP 35 HE1 TRP 35 -11.262 11.019 5.320 275 HE3 TRP 35 HE3 TRP 35 -6.313 9.857 7.007 276 HZ2 TRP 35 HZ2 TRP 35 -11.239 9.235 7.502 277 HZ3 TRP 35 HZ3 TRP 35 -7.244 8.389 8.750 278 HH2 TRP 35 HH2 TRP 35 -9.669 8.074 8.979 279 H ARG 36 HN ARG 36 -4.009 12.771 6.047 280 HA ARG 36 HA ARG 36 -2.725 14.015 3.698 281 1HB ARG 36 HB2 ARG 36 -2.101 14.338 6.642 282 2HB ARG 36 HB1 ARG 36 -0.902 14.689 5.400 283 1HG ARG 36 HG2 ARG 36 -3.631 15.988 5.598 284 2HG ARG 36 HG1 ARG 36 -2.111 16.698 6.154 285 1HD ARG 36 HD2 ARG 36 -1.299 16.978 4.022 286 2HD ARG 36 HD1 ARG 36 -2.337 15.735 3.343 287 HE ARG 36 HE ARG 36 -3.420 18.316 4.275 288 1HH1 ARG 36 HH11 ARG 36 -2.964 15.872 1.830 289 2HH1 ARG 36 HH12 ARG 36 -4.062 16.586 0.694 290 1HH2 ARG 36 HH21 ARG 36 -4.873 19.295 2.786 291 2HH2 ARG 36 HH22 ARG 36 -5.163 18.542 1.237 292 H ALA 37 HN ALA 37 -0.891 13.006 2.913 293 HA ALA 37 HA ALA 37 -0.649 10.246 3.352 294 1HB ALA 37 HB1 ALA 37 1.243 12.099 1.922 295 2HB ALA 37 HB2 ALA 37 -0.146 11.271 1.213 296 3HB ALA 37 HB3 ALA 37 1.236 10.342 1.811 297 H ALA 38 HN ALA 38 0.510 9.122 4.745 298 HA ALA 38 HA ALA 38 2.151 10.447 6.691 299 1HB ALA 38 HB1 ALA 38 0.646 8.582 7.272 300 2HB ALA 38 HB2 ALA 38 2.315 8.298 7.774 301 3HB ALA 38 HB3 ALA 38 1.673 7.487 6.340 302 H GLY 39 HN GLY 39 3.973 8.092 6.971 303 1HA GLY 39 HA2 GLY 39 5.969 9.266 5.145 304 2HA GLY 39 HA1 GLY 39 6.325 8.528 6.696 305 H LYS 40 HN LYS 40 4.107 6.700 4.826 306 HA LYS 40 HA LYS 40 6.199 5.260 3.397 307 1HB LYS 40 HB2 LYS 40 4.699 4.066 5.701 308 2HB LYS 40 HB1 LYS 40 5.150 3.034 4.359 309 1HG LYS 40 HG2 LYS 40 7.512 3.670 4.701 310 2HG LYS 40 HG1 LYS 40 7.018 4.625 6.104 311 1HD LYS 40 HD2 LYS 40 6.196 2.645 7.223 312 2HD LYS 40 HD1 LYS 40 6.519 1.665 5.785 313 1HE LYS 40 HE2 LYS 40 8.594 3.078 7.474 314 2HE LYS 40 HE1 LYS 40 8.254 1.354 7.480 315 1HZ LYS 40 HZ1 LYS 40 10.167 1.766 6.134 316 2HZ LYS 40 HZ2 LYS 40 9.343 2.932 5.221 317 3HZ LYS 40 HZ3 LYS 40 8.891 1.302 5.110 318 H SER 41 HN SER 41 5.522 4.892 1.466 319 HA SER 41 HA SER 41 2.729 4.020 1.055 320 1HB SER 41 HB2 SER 41 4.561 5.278 -0.999 321 2HB SER 41 HB1 SER 41 2.845 4.921 -1.175 322 HG SER 41 HG SER 41 3.215 6.467 0.999 323 H GLY 42 HN GLY 42 2.436 2.061 0.067 324 1HA GLY 42 HA2 GLY 42 4.185 0.698 -1.617 325 2HA GLY 42 HA1 GLY 42 4.596 0.232 0.024 326 H LEU 43 HN LEU 43 3.869 -1.951 -0.791 327 HA LEU 43 HA LEU 43 1.040 -2.195 -1.325 328 1HB LEU 43 HB2 LEU 43 1.347 -4.446 -1.771 329 2HB LEU 43 HB1 LEU 43 2.870 -3.744 -2.262 330 HG LEU 43 HG LEU 43 2.560 -4.968 0.469 331 1HD1 LEU 43 HD11 LEU 43 3.288 -6.380 -2.113 332 2HD1 LEU 43 HD12 LEU 43 1.810 -6.625 -1.173 333 3HD1 LEU 43 HD13 LEU 43 3.368 -7.073 -0.493 334 1HD2 LEU 43 HD21 LEU 43 4.929 -4.615 -1.378 335 2HD2 LEU 43 HD22 LEU 43 4.960 -5.320 0.234 336 3HD2 LEU 43 HD23 LEU 43 4.569 -3.613 0.027 337 H LYS 44 HN LYS 44 -0.035 -4.169 -0.007 338 HA LYS 44 HA LYS 44 -0.913 -3.192 2.373 339 1HB LYS 44 HB2 LYS 44 -1.952 -5.008 1.112 340 2HB LYS 44 HB1 LYS 44 -0.657 -6.098 1.557 341 1HG LYS 44 HG2 LYS 44 -1.333 -5.933 3.915 342 2HG LYS 44 HG1 LYS 44 -2.647 -4.838 3.449 343 1HD LYS 44 HD2 LYS 44 -2.318 -7.649 2.383 344 2HD LYS 44 HD1 LYS 44 -3.370 -7.207 3.727 345 1HE LYS 44 HE2 LYS 44 -4.856 -6.071 2.377 346 2HE LYS 44 HE1 LYS 44 -3.638 -5.757 1.136 347 1HZ LYS 44 HZ1 LYS 44 -4.632 -8.488 1.699 348 2HZ LYS 44 HZ2 LYS 44 -3.805 -7.928 0.332 349 3HZ LYS 44 HZ3 LYS 44 -5.417 -7.464 0.594 350 H LYS 45 HN LYS 45 1.905 -5.257 1.917 351 HA LYS 45 HA LYS 45 2.293 -5.982 4.587 352 1HB LYS 45 HB2 LYS 45 3.397 -7.130 2.734 353 2HB LYS 45 HB1 LYS 45 4.324 -5.681 2.376 354 1HG LYS 45 HG2 LYS 45 5.732 -7.213 3.522 355 2HG LYS 45 HG1 LYS 45 5.381 -5.861 4.610 356 1HD LYS 45 HD2 LYS 45 3.685 -7.199 5.740 357 2HD LYS 45 HD1 LYS 45 4.003 -8.551 4.647 358 1HE LYS 45 HE2 LYS 45 6.323 -8.641 5.459 359 2HE LYS 45 HE1 LYS 45 5.976 -7.315 6.571 360 1HZ LYS 45 HZ1 LYS 45 4.843 -10.059 6.610 361 2HZ LYS 45 HZ2 LYS 45 4.230 -8.793 7.559 362 3HZ LYS 45 HZ3 LYS 45 5.823 -9.326 7.781 363 H ASP 46 HN ASP 46 3.700 -3.321 2.733 364 HA ASP 46 HA ASP 46 5.321 -2.377 4.846 365 1HB ASP 46 HB2 ASP 46 4.537 -1.213 2.177 366 2HB ASP 46 HB1 ASP 46 5.585 -0.357 3.300 367 H CYS 47 HN CYS 47 2.152 -1.683 3.611 368 HA CYS 47 HA CYS 47 1.813 0.846 4.871 369 1HB CYS 47 HB2 CYS 47 0.550 0.078 2.855 370 2HB CYS 47 HB1 CYS 47 -0.317 -1.074 3.855 371 HG CYS 47 HG CYS 47 -0.805 1.565 5.499 372 H LEU 48 HN LEU 48 0.740 -2.451 5.524 373 HA LEU 48 HA LEU 48 -0.586 -2.061 7.940 374 1HB LEU 48 HB2 LEU 48 -0.689 -4.126 6.703 375 2HB LEU 48 HB1 LEU 48 1.003 -4.405 6.966 376 HG LEU 48 HG LEU 48 0.542 -4.562 9.415 377 1HD1 LEU 48 HD11 LEU 48 -1.604 -3.406 9.445 378 2HD1 LEU 48 HD12 LEU 48 -1.759 -5.041 10.084 379 3HD1 LEU 48 HD13 LEU 48 -2.319 -4.664 8.450 380 1HD2 LEU 48 HD21 LEU 48 0.898 -6.511 8.014 381 2HD2 LEU 48 HD22 LEU 48 -0.812 -6.528 7.542 382 3HD2 LEU 48 HD23 LEU 48 -0.344 -6.851 9.225 383 H ALA 49 HN ALA 49 2.786 -2.808 7.311 384 HA ALA 49 HA ALA 49 3.737 -3.071 9.885 385 1HB ALA 49 HB1 ALA 49 5.176 -1.874 7.538 386 2HB ALA 49 HB2 ALA 49 5.108 -3.584 7.957 387 3HB ALA 49 HB3 ALA 49 5.949 -2.451 9.024 388 H TYR 50 HN TYR 50 3.245 -0.135 7.995 389 HA TYR 50 HA TYR 50 4.509 1.679 9.636 390 1HB TYR 50 HB2 TYR 50 3.603 2.118 7.345 391 2HB TYR 50 HB1 TYR 50 1.987 2.209 8.060 392 HD1 TYR 50 HD1 TYR 50 5.216 3.868 7.719 393 HD2 TYR 50 HD2 TYR 50 1.346 4.138 9.446 394 HE1 TYR 50 HE1 TYR 50 5.605 6.256 8.162 395 HE2 TYR 50 HE2 TYR 50 1.714 6.537 9.908 396 HH TYR 50 HH TYR 50 3.715 8.063 10.243 397 H ILE 51 HN ILE 51 1.203 0.397 9.903 398 HA ILE 51 HA ILE 51 0.348 2.245 11.881 399 HB ILE 51 HB ILE 51 -0.670 -0.444 10.979 400 1HG1 ILE 51 HG12 ILE 51 -2.711 0.936 10.456 401 2HG1 ILE 51 HG11 ILE 51 -1.824 2.355 10.968 402 1HG2 ILE 51 HG21 ILE 51 -1.758 1.125 13.318 403 2HG2 ILE 51 HG22 ILE 51 -1.078 -0.499 13.345 404 3HG2 ILE 51 HG23 ILE 51 -2.599 -0.197 12.506 405 1HD1 ILE 51 HD11 ILE 51 -0.201 2.001 9.203 406 2HD1 ILE 51 HD12 ILE 51 -1.836 2.155 8.555 407 3HD1 ILE 51 HD13 ILE 51 -1.088 0.565 8.672 408 H GLU 52 HN GLU 52 1.964 -0.877 12.063 409 HA GLU 52 HA GLU 52 1.817 -1.337 14.780 410 1HB GLU 52 HB2 GLU 52 3.965 -2.004 12.784 411 2HB GLU 52 HB1 GLU 52 4.038 -2.529 14.456 412 1HG GLU 52 HG2 GLU 52 1.806 -3.212 12.556 413 2HG GLU 52 HG1 GLU 52 3.168 -4.262 12.907 414 H GLU 53 HN GLU 53 4.135 0.572 12.957 415 HA GLU 53 HA GLU 53 6.070 0.954 14.804 416 1HB GLU 53 HB2 GLU 53 5.157 3.136 12.940 417 2HB GLU 53 HB1 GLU 53 6.769 2.938 13.615 418 1HG GLU 53 HG2 GLU 53 5.379 1.102 11.701 419 2HG GLU 53 HG1 GLU 53 6.683 2.210 11.296 420 H VAL 54 HN VAL 54 3.624 3.942 16.217 421 HA VAL 54 HA VAL 54 3.224 2.802 13.554 422 HB VAL 54 HB VAL 54 1.167 3.112 14.741 423 1HG1 VAL 54 HG11 VAL 54 0.430 5.268 15.657 424 2HG1 VAL 54 HG12 VAL 54 1.944 6.006 15.151 425 3HG1 VAL 54 HG13 VAL 54 1.956 4.758 16.392 426 1HG2 VAL 54 HG21 VAL 54 1.373 5.414 12.800 427 2HG2 VAL 54 HG22 VAL 54 -0.084 4.526 13.255 428 3HG2 VAL 54 HG23 VAL 54 1.184 3.724 12.327 429 H TRP 55 HN TRP 55 4.123 5.756 15.186 430 HA TRP 55 HA TRP 55 5.560 6.647 12.835 431 1HB TRP 55 HB2 TRP 55 3.197 7.573 12.682 432 2HB TRP 55 HB1 TRP 55 3.533 8.462 14.155 433 HD1 TRP 55 HD1 TRP 55 3.253 10.814 12.973 434 HE1 TRP 55 HE1 TRP 55 4.744 12.143 11.358 435 HE3 TRP 55 HE3 TRP 55 6.477 7.108 11.574 436 HZ2 TRP 55 HZ2 TRP 55 6.985 11.701 9.734 437 HZ3 TRP 55 HZ3 TRP 55 8.269 7.650 9.973 438 HH2 TRP 55 HH2 TRP 55 8.526 9.894 9.070 439 H THR 56 HN THR 56 5.976 5.692 15.655 440 HA THR 56 HA THR 56 7.898 7.562 16.533 441 HB THR 56 HB THR 56 6.087 8.970 17.231 442 HG1 THR 56 HG1 THR 56 6.657 7.733 19.689 443 1HG2 THR 56 HG21 THR 56 4.955 6.573 18.655 444 2HG2 THR 56 HG22 THR 56 4.284 7.332 17.220 445 3HG2 THR 56 HG23 THR 56 4.314 8.194 18.765 446 H ASP 57 HN ASP 57 8.996 5.570 16.459 447 HA ASP 57 HA ASP 57 9.828 4.365 18.677 448 1HB ASP 57 HB2 ASP 57 7.512 3.583 19.167 449 2HB ASP 57 HB1 ASP 57 7.528 2.650 17.665 450 H MET 58 HN MET 58 11.468 3.006 18.165 451 HA MET 58 HA MET 58 11.849 2.382 15.352 452 1HB MET 58 HB2 MET 58 13.671 1.908 17.721 453 2HB MET 58 HB1 MET 58 14.115 1.702 16.035 454 1HG MET 58 HG2 MET 58 13.873 4.050 15.622 455 2HG MET 58 HG1 MET 58 13.269 4.312 17.256 456 1HE MET 58 HE1 MET 58 14.785 3.917 19.437 457 2HE MET 58 HE2 MET 58 16.481 3.426 19.366 458 3HE MET 58 HE3 MET 58 15.209 2.306 18.871 459 H ARG 59 HN ARG 59 10.599 0.681 14.774 460 HA ARG 59 HA ARG 59 11.126 -1.873 16.090 461 1HB ARG 59 HB2 ARG 59 8.680 -2.316 16.314 462 2HB ARG 59 HB1 ARG 59 9.314 -1.081 17.398 463 1HG ARG 59 HG2 ARG 59 8.398 0.668 16.045 464 2HG ARG 59 HG1 ARG 59 7.861 -0.508 14.836 465 1HD ARG 59 HD2 ARG 59 6.922 -0.509 17.709 466 2HD ARG 59 HD1 ARG 59 6.063 0.317 16.394 467 HE ARG 59 HE ARG 59 6.219 -2.115 15.391 468 1HH1 ARG 59 HH11 ARG 59 5.487 -1.129 18.667 469 2HH1 ARG 59 HH12 ARG 59 4.446 -2.488 18.984 470 1HH2 ARG 59 HH21 ARG 59 4.818 -3.876 15.802 471 2HH2 ARG 59 HH22 ARG 59 4.047 -4.023 17.347 472 HA PRO 60 HA PRO 60 9.893 -1.882 11.402 473 1HB PRO 60 HB2 PRO 60 12.756 -2.428 10.921 474 2HB PRO 60 HB1 PRO 60 11.660 -1.360 10.046 475 1HG PRO 60 HG2 PRO 60 13.566 -0.372 11.621 476 2HG PRO 60 HG1 PRO 60 11.958 0.389 11.532 477 1HD PRO 60 HD2 PRO 60 13.076 -1.430 13.639 478 2HD PRO 60 HD1 PRO 60 12.119 0.052 13.818 479 H LEU 61 HN LEU 61 8.996 -3.827 11.169 480 HA LEU 61 HA LEU 61 9.633 -6.040 12.701 481 1HB LEU 61 HB2 LEU 61 8.088 -5.889 10.121 482 2HB LEU 61 HB1 LEU 61 8.087 -7.265 11.205 483 HG LEU 61 HG LEU 61 7.080 -4.489 11.876 484 1HD1 LEU 61 HD11 LEU 61 5.638 -5.656 10.296 485 2HD1 LEU 61 HD12 LEU 61 4.861 -5.563 11.875 486 3HD1 LEU 61 HD13 LEU 61 5.597 -7.076 11.344 487 1HD2 LEU 61 HD21 LEU 61 7.047 -7.058 13.485 488 2HD2 LEU 61 HD22 LEU 61 6.258 -5.549 13.934 489 3HD2 LEU 61 HD23 LEU 61 8.008 -5.611 13.820 490 H SER 62 HN SER 62 10.974 -5.037 9.691 491 HA SER 62 HA SER 62 11.955 -7.508 8.791 492 1HB SER 62 HB2 SER 62 13.151 -4.773 8.284 493 2HB SER 62 HB1 SER 62 13.314 -6.213 7.285 494 HG SER 62 HG SER 62 10.798 -5.999 7.399 495 H LEU 63 HN LEU 63 13.099 -5.248 11.211 496 HA LEU 63 HA LEU 63 15.465 -6.949 11.591 497 1HB LEU 63 HB2 LEU 63 16.651 -4.906 12.410 498 2HB LEU 63 HB1 LEU 63 16.271 -4.905 10.688 499 HG LEU 63 HG LEU 63 14.171 -3.523 11.480 500 1HD1 LEU 63 HD11 LEU 63 14.532 -3.747 13.854 501 2HD1 LEU 63 HD12 LEU 63 14.722 -2.050 13.377 502 3HD1 LEU 63 HD13 LEU 63 16.144 -3.049 13.722 503 1HD2 LEU 63 HD21 LEU 63 15.873 -2.708 9.964 504 2HD2 LEU 63 HD22 LEU 63 16.952 -2.374 11.328 505 3HD2 LEU 63 HD23 LEU 63 15.444 -1.460 11.150 506 H ARG 64 HN ARG 64 12.610 -6.522 12.808 507 HA ARG 64 HA ARG 64 13.349 -6.072 15.605 508 1HB ARG 64 HB2 ARG 64 11.327 -4.994 14.505 509 2HB ARG 64 HB1 ARG 64 10.594 -6.584 14.507 510 1HG ARG 64 HG2 ARG 64 9.835 -5.228 16.385 511 2HG ARG 64 HG1 ARG 64 10.679 -6.663 16.943 512 1HD ARG 64 HD2 ARG 64 12.707 -5.327 17.282 513 2HD ARG 64 HD1 ARG 64 11.873 -3.910 16.668 514 HE ARG 64 HE ARG 64 10.346 -4.791 18.781 515 1HH1 ARG 64 HH11 ARG 64 13.636 -3.740 18.263 516 2HH1 ARG 64 HH12 ARG 64 13.805 -3.045 19.841 517 1HH2 ARG 64 HH21 ARG 64 10.558 -3.822 20.874 518 2HH2 ARG 64 HH22 ARG 64 12.055 -3.063 21.319 519 H GLN 65 HN GLN 65 13.438 -8.557 13.601 520 HA GLN 65 HA GLN 65 12.016 -10.690 14.643 521 1HB GLN 65 HB2 GLN 65 14.782 -10.783 13.445 522 2HB GLN 65 HB1 GLN 65 13.633 -12.110 13.548 523 1HG GLN 65 HG2 GLN 65 12.174 -11.089 11.978 524 2HG GLN 65 HG1 GLN 65 13.094 -9.578 12.022 525 1HE2 GLN 65 HE21 GLN 65 14.593 -12.712 12.003 526 2HE2 GLN 65 HE22 GLN 65 15.255 -12.586 10.400 527 H HIS 66 HN HIS 66 11.997 -11.053 16.827 528 HA HIS 66 HA HIS 66 14.572 -11.224 18.197 529 1HB HIS 66 HB2 HIS 66 13.271 -11.279 20.297 530 2HB HIS 66 HB1 HIS 66 12.927 -9.842 19.334 531 HD1 HIS 66 HD1 HIS 66 11.377 -13.109 20.410 532 HD2 HIS 66 HD2 HIS 66 10.304 -9.575 18.486 533 HE1 HIS 66 HE1 HIS 66 8.864 -13.131 20.284 534 HE2 HIS 66 HE2 HIS 66 8.232 -10.958 19.150 535 H MET 67 HN MET 67 12.336 -13.204 16.686 536 HA MET 67 HA MET 67 12.704 -15.506 18.413 537 1HB MET 67 HB2 MET 67 11.369 -16.736 16.786 538 2HB MET 67 HB1 MET 67 10.589 -15.205 17.151 539 1HG MET 67 HG2 MET 67 12.274 -15.747 14.708 540 2HG MET 67 HG1 MET 67 10.501 -15.823 14.764 541 1HE MET 67 HE1 MET 67 10.984 -12.579 12.680 542 2HE MET 67 HE2 MET 67 10.203 -14.153 12.792 543 3HE MET 67 HE3 MET 67 11.955 -14.056 12.586 544 H ASP 68 HN ASP 68 14.154 -14.130 15.586 545 HA ASP 68 HA ASP 68 16.430 -15.877 15.939 546 1HB ASP 68 HB2 ASP 68 16.499 -16.777 13.707 547 2HB ASP 68 HB1 ASP 68 14.914 -17.155 14.354 548 H LYS 69 HN LYS 69 18.251 -15.119 14.570 549 HA LYS 69 HA LYS 69 19.632 -13.468 13.850 550 1HB LYS 69 HB2 LYS 69 17.017 -12.126 13.099 551 2HB LYS 69 HB1 LYS 69 18.591 -11.412 12.782 552 1HG LYS 69 HG2 LYS 69 17.614 -14.053 11.723 553 2HG LYS 69 HG1 LYS 69 17.692 -12.541 10.821 554 1HD LYS 69 HD2 LYS 69 20.061 -13.889 12.065 555 2HD LYS 69 HD1 LYS 69 19.599 -14.048 10.378 556 1HE LYS 69 HE2 LYS 69 19.992 -11.733 9.981 557 2HE LYS 69 HE1 LYS 69 20.177 -11.404 11.707 558 1HZ LYS 69 HZ1 LYS 69 22.169 -12.721 11.721 559 2HZ LYS 69 HZ2 LYS 69 22.314 -11.490 10.560 560 3HZ LYS 69 HZ3 LYS 69 22.001 -13.092 10.078 561 H ALA 70 HN ALA 70 18.216 -13.543 16.580 562 HA ALA 70 HA ALA 70 18.803 -10.760 17.355 563 1HB ALA 70 HB1 ALA 70 17.142 -10.969 19.118 564 2HB ALA 70 HB2 ALA 70 16.833 -12.636 18.637 565 3HB ALA 70 HB3 ALA 70 16.424 -11.310 17.550 566 H ALA 71 HN ALA 71 19.736 -14.015 17.767 567 HA ALA 71 HA ALA 71 21.122 -13.317 20.282 568 1HB ALA 71 HB1 ALA 71 20.345 -16.043 19.289 569 2HB ALA 71 HB2 ALA 71 19.512 -15.138 20.553 570 3HB ALA 71 HB3 ALA 71 21.174 -15.700 20.798 571 H GLY 72 HN GLY 72 23.273 -13.261 20.230 572 1HA GLY 72 HA2 GLY 72 24.604 -14.061 17.756 573 2HA GLY 72 HA1 GLY 72 25.264 -12.965 18.978 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -6.324 -8.009 1.062 2 2H MET 1 HT2 MET 1 -6.353 -9.479 1.905 3 3H MET 1 HT3 MET 1 -4.932 -8.549 1.833 4 HA MET 1 HA MET 1 -5.923 -6.806 3.118 5 1HB MET 1 HB2 MET 1 -8.233 -7.199 2.298 6 2HB MET 1 HB1 MET 1 -8.318 -8.653 3.291 7 1HG MET 1 HG2 MET 1 -8.062 -7.311 5.282 8 2HG MET 1 HG1 MET 1 -7.924 -5.855 4.313 9 1HE MET 1 HE1 MET 1 -9.902 -4.863 2.847 10 2HE MET 1 HE2 MET 1 -11.481 -5.629 2.691 11 3HE MET 1 HE3 MET 1 -10.058 -6.420 2.030 12 H THR 2 HN THR 2 -6.084 -10.302 3.467 13 HA THR 2 HA THR 2 -5.695 -10.323 6.300 14 HB THR 2 HB THR 2 -4.952 -12.767 5.750 15 HG1 THR 2 HG1 THR 2 -5.323 -13.441 3.676 16 1HG2 THR 2 HG21 THR 2 -7.730 -11.811 5.039 17 2HG2 THR 2 HG22 THR 2 -7.145 -12.212 6.648 18 3HG2 THR 2 HG23 THR 2 -7.280 -13.479 5.444 19 H SER 3 HN SER 3 -3.791 -10.759 7.462 20 HA SER 3 HA SER 3 -1.425 -9.691 6.145 21 1HB SER 3 HB2 SER 3 -2.099 -8.960 8.428 22 2HB SER 3 HB1 SER 3 -1.753 -10.590 9.021 23 HG SER 3 HG SER 3 0.053 -9.376 9.398 24 H VAL 4 HN VAL 4 -1.501 -11.681 4.739 25 HA VAL 4 HA VAL 4 -0.400 -14.076 5.975 26 HB VAL 4 HB VAL 4 -0.602 -15.107 3.742 27 1HG1 VAL 4 HG11 VAL 4 -3.061 -15.143 3.653 28 2HG1 VAL 4 HG12 VAL 4 -3.111 -13.737 4.710 29 3HG1 VAL 4 HG13 VAL 4 -2.454 -15.260 5.308 30 1HG2 VAL 4 HG21 VAL 4 -0.249 -13.090 2.396 31 2HG2 VAL 4 HG22 VAL 4 -1.795 -12.447 2.959 32 3HG2 VAL 4 HG23 VAL 4 -1.757 -13.893 1.957 33 H PHE 5 HN PHE 5 0.633 -11.284 4.338 34 HA PHE 5 HA PHE 5 2.658 -10.486 3.690 35 1HB PHE 5 HB2 PHE 5 3.299 -11.644 5.904 36 2HB PHE 5 HB1 PHE 5 3.964 -12.936 4.927 37 HD1 PHE 5 HD1 PHE 5 4.174 -9.279 5.574 38 HD2 PHE 5 HD2 PHE 5 6.135 -12.753 4.068 39 HE1 PHE 5 HE1 PHE 5 6.283 -8.028 5.446 40 HE2 PHE 5 HE2 PHE 5 8.255 -11.497 3.942 41 HZ PHE 5 HZ PHE 5 8.316 -9.128 4.637 42 H ASP 6 HN ASP 6 4.680 -11.156 2.331 43 HA ASP 6 HA ASP 6 5.727 -12.200 0.640 44 1HB ASP 6 HB2 ASP 6 5.581 -14.315 1.585 45 2HB ASP 6 HB1 ASP 6 3.831 -14.401 1.407 46 H ARG 7 HN ARG 7 2.205 -12.579 0.385 47 HA ARG 7 HA ARG 7 2.451 -11.795 -2.440 48 1HB ARG 7 HB2 ARG 7 1.741 -14.167 -2.026 49 2HB ARG 7 HB1 ARG 7 0.272 -13.533 -1.284 50 1HG ARG 7 HG2 ARG 7 -0.148 -14.185 -3.583 51 2HG ARG 7 HG1 ARG 7 -0.279 -12.431 -3.405 52 1HD ARG 7 HD2 ARG 7 2.099 -12.236 -4.166 53 2HD ARG 7 HD1 ARG 7 2.038 -13.960 -4.591 54 HE ARG 7 HE ARG 7 -0.134 -12.663 -5.790 55 1HH1 ARG 7 HH11 ARG 7 3.325 -12.856 -5.990 56 2HH1 ARG 7 HH12 ARG 7 3.397 -12.350 -7.652 57 1HH2 ARG 7 HH21 ARG 7 -0.081 -11.970 -7.973 58 2HH2 ARG 7 HH22 ARG 7 1.455 -11.822 -8.784 59 H ASP 8 HN ASP 8 1.199 -10.215 -3.217 60 HA ASP 8 HA ASP 8 -1.190 -9.356 -1.807 61 1HB ASP 8 HB2 ASP 8 1.064 -8.073 -1.026 62 2HB ASP 8 HB1 ASP 8 0.748 -7.175 -2.520 63 H ASP 9 HN ASP 9 -1.670 -7.039 -3.258 64 HA ASP 9 HA ASP 9 -1.045 -7.445 -6.036 65 1HB ASP 9 HB2 ASP 9 -3.264 -7.887 -6.866 66 2HB ASP 9 HB1 ASP 9 -2.902 -9.112 -5.652 67 H ILE 10 HN ILE 10 -3.154 -5.856 -3.689 68 HA ILE 10 HA ILE 10 -3.344 -3.498 -5.399 69 HB ILE 10 HB ILE 10 -5.394 -4.211 -4.352 70 1HG1 ILE 10 HG12 ILE 10 -4.356 -1.723 -2.969 71 2HG1 ILE 10 HG11 ILE 10 -5.016 -1.776 -4.603 72 1HG2 ILE 10 HG21 ILE 10 -4.494 -5.432 -2.438 73 2HG2 ILE 10 HG22 ILE 10 -5.695 -4.253 -1.909 74 3HG2 ILE 10 HG23 ILE 10 -3.974 -3.911 -1.704 75 1HD1 ILE 10 HD11 ILE 10 -6.640 -0.918 -3.047 76 2HD1 ILE 10 HD12 ILE 10 -6.489 -2.373 -2.059 77 3HD1 ILE 10 HD13 ILE 10 -7.173 -2.483 -3.678 78 H GLN 11 HN GLN 11 -2.488 -1.490 -4.899 79 HA GLN 11 HA GLN 11 -0.420 -1.536 -2.823 80 1HB GLN 11 HB2 GLN 11 -0.707 0.018 -5.371 81 2HB GLN 11 HB1 GLN 11 0.319 0.623 -4.077 82 1HG GLN 11 HG2 GLN 11 1.660 -0.544 -5.654 83 2HG GLN 11 HG1 GLN 11 1.605 -1.459 -4.163 84 1HE2 GLN 11 HE21 GLN 11 0.636 -3.458 -4.147 85 2HE2 GLN 11 HE22 GLN 11 0.182 -4.287 -5.602 86 H PHE 12 HN PHE 12 -0.335 -0.040 -1.227 87 HA PHE 12 HA PHE 12 -2.610 1.825 -1.034 88 1HB PHE 12 HB2 PHE 12 -1.409 0.097 1.154 89 2HB PHE 12 HB1 PHE 12 -2.502 1.428 1.471 90 HD1 PHE 12 HD1 PHE 12 -2.172 -2.009 0.512 91 HD2 PHE 12 HD2 PHE 12 -4.875 1.286 0.699 92 HE1 PHE 12 HE1 PHE 12 -4.073 -3.556 0.314 93 HE2 PHE 12 HE2 PHE 12 -6.766 -0.259 0.502 94 HZ PHE 12 HZ PHE 12 -6.379 -2.688 0.318 95 H GLN 13 HN GLN 13 -2.196 3.366 0.848 96 HA GLN 13 HA GLN 13 0.579 4.011 1.377 97 1HB GLN 13 HB2 GLN 13 0.241 6.403 0.860 98 2HB GLN 13 HB1 GLN 13 0.133 5.389 -0.578 99 1HG GLN 13 HG2 GLN 13 -2.294 5.504 -0.482 100 2HG GLN 13 HG1 GLN 13 -2.190 6.548 0.958 101 1HE2 GLN 13 HE21 GLN 13 -3.361 7.014 -1.686 102 2HE2 GLN 13 HE22 GLN 13 -2.587 8.440 -2.303 103 H VAL 14 HN VAL 14 0.728 5.492 3.244 104 HA VAL 14 HA VAL 14 -1.564 5.005 5.005 105 HB VAL 14 HB VAL 14 1.238 5.905 5.745 106 1HG1 VAL 14 HG11 VAL 14 -1.065 5.050 7.475 107 2HG1 VAL 14 HG12 VAL 14 -0.415 6.675 7.334 108 3HG1 VAL 14 HG13 VAL 14 0.567 5.398 8.054 109 1HG2 VAL 14 HG21 VAL 14 -0.068 3.204 6.051 110 2HG2 VAL 14 HG22 VAL 14 1.561 3.641 6.573 111 3HG2 VAL 14 HG23 VAL 14 1.156 3.614 4.852 112 H VAL 15 HN VAL 15 -2.904 6.604 5.562 113 HA VAL 15 HA VAL 15 -2.002 9.361 5.097 114 HB VAL 15 HB VAL 15 -4.389 9.947 4.710 115 1HG1 VAL 15 HG11 VAL 15 -3.253 7.848 2.869 116 2HG1 VAL 15 HG12 VAL 15 -2.901 9.574 2.834 117 3HG1 VAL 15 HG13 VAL 15 -4.526 9.004 2.458 118 1HG2 VAL 15 HG21 VAL 15 -5.983 8.132 4.196 119 2HG2 VAL 15 HG22 VAL 15 -5.473 8.105 5.883 120 3HG2 VAL 15 HG23 VAL 15 -4.785 6.936 4.755 121 H VAL 16 HN VAL 16 -2.894 10.944 6.562 122 HA VAL 16 HA VAL 16 -3.685 9.775 9.146 123 HB VAL 16 HB VAL 16 -1.329 10.574 9.129 124 1HG1 VAL 16 HG11 VAL 16 -2.550 13.296 8.770 125 2HG1 VAL 16 HG12 VAL 16 -1.489 12.457 7.648 126 3HG1 VAL 16 HG13 VAL 16 -0.881 12.961 9.231 127 1HG2 VAL 16 HG21 VAL 16 -1.471 11.777 11.246 128 2HG2 VAL 16 HG22 VAL 16 -2.608 10.434 11.197 129 3HG2 VAL 16 HG23 VAL 16 -3.185 12.078 10.953 130 H ASN 17 HN ASN 17 -5.347 10.670 10.181 131 HA ASN 17 HA ASN 17 -6.930 12.632 8.736 132 1HB ASN 17 HB2 ASN 17 -7.891 10.553 9.815 133 2HB ASN 17 HB1 ASN 17 -7.499 11.234 11.385 134 1HD2 ASN 17 HD21 ASN 17 -9.561 11.450 8.578 135 2HD2 ASN 17 HD22 ASN 17 -10.749 12.461 9.323 136 H HIS 18 HN HIS 18 -8.025 14.375 10.261 137 HA HIS 18 HA HIS 18 -5.964 16.056 11.223 138 1HB HIS 18 HB2 HIS 18 -8.125 16.858 10.228 139 2HB HIS 18 HB1 HIS 18 -8.947 16.294 11.677 140 HD1 HIS 18 HD1 HIS 18 -9.410 18.122 13.270 141 HD2 HIS 18 HD2 HIS 18 -5.906 18.819 11.115 142 HE1 HIS 18 HE1 HIS 18 -8.544 20.332 14.084 143 HE2 HIS 18 HE2 HIS 18 -6.364 20.679 12.849 144 H GLU 19 HN GLU 19 -7.507 13.437 12.669 145 HA GLU 19 HA GLU 19 -7.220 14.385 15.400 146 1HB GLU 19 HB2 GLU 19 -8.033 11.655 14.372 147 2HB GLU 19 HB1 GLU 19 -8.075 12.186 16.051 148 1HG GLU 19 HG2 GLU 19 -9.775 13.837 15.472 149 2HG GLU 19 HG1 GLU 19 -9.730 13.323 13.798 150 H GLU 20 HN GLU 20 -5.262 13.573 13.087 151 HA GLU 20 HA GLU 20 -3.223 12.668 12.803 152 1HB GLU 20 HB2 GLU 20 -3.133 12.838 15.826 153 2HB GLU 20 HB1 GLU 20 -1.762 12.588 14.759 154 1HG GLU 20 HG2 GLU 20 -3.521 15.022 14.857 155 2HG GLU 20 HG1 GLU 20 -1.844 14.903 15.455 156 H GLN 21 HN GLN 21 -5.384 10.883 12.852 157 HA GLN 21 HA GLN 21 -4.143 8.487 14.003 158 1HB GLN 21 HB2 GLN 21 -6.490 8.904 14.749 159 2HB GLN 21 HB1 GLN 21 -6.999 8.842 13.061 160 1HG GLN 21 HG2 GLN 21 -6.309 6.540 12.905 161 2HG GLN 21 HG1 GLN 21 -5.691 6.591 14.549 162 1HE2 GLN 21 HE21 GLN 21 -8.670 8.108 13.566 163 2HE2 GLN 21 HE22 GLN 21 -9.724 7.049 14.451 164 H TYR 22 HN TYR 22 -3.626 6.799 12.705 165 HA TYR 22 HA TYR 22 -3.363 7.583 9.896 166 1HB TYR 22 HB2 TYR 22 -2.015 5.405 11.527 167 2HB TYR 22 HB1 TYR 22 -1.735 5.668 9.792 168 HD1 TYR 22 HD1 TYR 22 -0.664 7.756 9.039 169 HD2 TYR 22 HD2 TYR 22 -1.001 6.806 13.170 170 HE1 TYR 22 HE1 TYR 22 1.052 9.425 9.545 171 HE2 TYR 22 HE2 TYR 22 0.705 8.498 13.701 172 HH TYR 22 HH TYR 22 2.533 9.701 12.627 173 H SER 23 HN SER 23 -4.110 6.535 8.236 174 HA SER 23 HA SER 23 -5.533 3.990 8.543 175 1HB SER 23 HB2 SER 23 -7.206 5.865 8.658 176 2HB SER 23 HB1 SER 23 -6.683 6.372 7.054 177 HG SER 23 HG SER 23 -8.578 4.965 7.150 178 H ILE 24 HN ILE 24 -6.048 3.163 6.186 179 HA ILE 24 HA ILE 24 -3.752 3.884 4.504 180 HB ILE 24 HB ILE 24 -3.616 1.626 3.660 181 1HG1 ILE 24 HG12 ILE 24 -5.828 0.951 5.630 182 2HG1 ILE 24 HG11 ILE 24 -6.023 1.026 3.877 183 1HG2 ILE 24 HG21 ILE 24 -2.326 2.233 5.639 184 2HG2 ILE 24 HG22 ILE 24 -2.796 0.539 5.696 185 3HG2 ILE 24 HG23 ILE 24 -3.652 1.721 6.681 186 1HD1 ILE 24 HD11 ILE 24 -4.210 -0.873 5.360 187 2HD1 ILE 24 HD12 ILE 24 -4.476 -0.810 3.616 188 3HD1 ILE 24 HD13 ILE 24 -5.795 -1.267 4.691 189 H TRP 25 HN TRP 25 -4.049 4.091 2.349 190 HA TRP 25 HA TRP 25 -6.708 3.667 1.241 191 1HB TRP 25 HB2 TRP 25 -6.479 6.037 2.137 192 2HB TRP 25 HB1 TRP 25 -5.200 6.283 0.955 193 HD1 TRP 25 HD1 TRP 25 -5.903 6.951 -1.441 194 HE1 TRP 25 HE1 TRP 25 -8.173 7.309 -2.603 195 HE3 TRP 25 HE3 TRP 25 -9.011 5.050 2.158 196 HZ2 TRP 25 HZ2 TRP 25 -10.893 6.850 -2.084 197 HZ3 TRP 25 HZ3 TRP 25 -11.434 5.056 1.731 198 HH2 TRP 25 HH2 TRP 25 -12.355 5.928 -0.349 199 HA PRO 26 HA PRO 26 -4.279 2.032 -2.151 200 1HB PRO 26 HB2 PRO 26 -6.021 2.748 -4.197 201 2HB PRO 26 HB1 PRO 26 -6.117 1.259 -3.244 202 1HG PRO 26 HG2 PRO 26 -7.609 3.819 -2.895 203 2HG PRO 26 HG1 PRO 26 -8.189 2.153 -2.740 204 1HD PRO 26 HD2 PRO 26 -7.667 3.649 -0.578 205 2HD PRO 26 HD1 PRO 26 -7.250 1.898 -0.616 206 H GLU 27 HN GLU 27 -2.568 3.003 -3.142 207 HA GLU 27 HA GLU 27 -2.323 5.798 -2.846 208 1HB GLU 27 HB2 GLU 27 -0.074 5.514 -3.664 209 2HB GLU 27 HB1 GLU 27 -0.459 4.160 -2.607 210 1HG GLU 27 HG2 GLU 27 -0.595 2.658 -4.360 211 2HG GLU 27 HG1 GLU 27 -0.813 3.938 -5.549 212 H TYR 28 HN TYR 28 -3.215 3.766 -5.480 213 HA TYR 28 HA TYR 28 -2.696 5.712 -7.511 214 1HB TYR 28 HB2 TYR 28 -3.838 4.051 -8.987 215 2HB TYR 28 HB1 TYR 28 -2.425 3.436 -8.133 216 HD1 TYR 28 HD1 TYR 28 -5.846 2.916 -8.877 217 HD2 TYR 28 HD2 TYR 28 -2.876 2.075 -5.967 218 HE1 TYR 28 HE1 TYR 28 -7.202 1.023 -8.064 219 HE2 TYR 28 HE2 TYR 28 -4.229 0.221 -5.115 220 HH TYR 28 HH TYR 28 -6.664 -1.190 -6.768 221 H LYS 29 HN LYS 29 -5.185 5.164 -5.317 222 HA LYS 29 HA LYS 29 -7.145 6.579 -6.978 223 1HB LYS 29 HB2 LYS 29 -7.387 5.185 -4.310 224 2HB LYS 29 HB1 LYS 29 -8.677 6.157 -5.001 225 1HG LYS 29 HG2 LYS 29 -8.610 4.687 -7.013 226 2HG LYS 29 HG1 LYS 29 -7.472 3.658 -6.137 227 1HD LYS 29 HD2 LYS 29 -9.124 3.292 -4.378 228 2HD LYS 29 HD1 LYS 29 -10.258 4.369 -5.218 229 1HE LYS 29 HE2 LYS 29 -10.251 2.853 -7.145 230 2HE LYS 29 HE1 LYS 29 -9.144 1.765 -6.289 231 1HZ LYS 29 HZ1 LYS 29 -11.374 0.942 -6.074 232 2HZ LYS 29 HZ2 LYS 29 -11.929 2.447 -5.516 233 3HZ LYS 29 HZ3 LYS 29 -10.879 1.533 -4.556 234 H GLU 30 HN GLU 30 -8.317 8.402 -6.046 235 HA GLU 30 HA GLU 30 -6.429 10.338 -5.086 236 1HB GLU 30 HB2 GLU 30 -8.215 10.780 -6.784 237 2HB GLU 30 HB1 GLU 30 -9.416 10.577 -5.524 238 1HG GLU 30 HG2 GLU 30 -8.445 12.474 -4.311 239 2HG GLU 30 HG1 GLU 30 -7.308 12.719 -5.637 240 H ILE 31 HN ILE 31 -6.123 10.986 -3.020 241 HA ILE 31 HA ILE 31 -7.497 9.746 -0.849 242 HB ILE 31 HB ILE 31 -5.639 12.144 -0.865 243 1HG1 ILE 31 HG12 ILE 31 -5.049 9.253 -0.241 244 2HG1 ILE 31 HG11 ILE 31 -4.628 10.069 -1.744 245 1HG2 ILE 31 HG21 ILE 31 -6.589 10.435 1.434 246 2HG2 ILE 31 HG22 ILE 31 -6.945 12.146 1.163 247 3HG2 ILE 31 HG23 ILE 31 -5.305 11.629 1.525 248 1HD1 ILE 31 HD11 ILE 31 -3.623 10.820 0.987 249 2HD1 ILE 31 HD12 ILE 31 -3.183 11.582 -0.540 250 3HD1 ILE 31 HD13 ILE 31 -2.730 9.902 -0.231 251 HA PRO 32 HA PRO 32 -11.034 12.510 -0.700 252 1HB PRO 32 HB2 PRO 32 -11.179 11.558 2.101 253 2HB PRO 32 HB1 PRO 32 -12.414 11.528 0.832 254 1HG PRO 32 HG2 PRO 32 -11.188 9.296 1.562 255 2HG PRO 32 HG1 PRO 32 -11.564 9.614 -0.149 256 1HD PRO 32 HD2 PRO 32 -8.946 9.847 1.284 257 2HD PRO 32 HD1 PRO 32 -9.304 9.215 -0.328 258 H GLN 33 HN GLN 33 -11.680 14.421 0.404 259 HA GLN 33 HA GLN 33 -9.485 15.987 1.316 260 1HB GLN 33 HB2 GLN 33 -11.332 16.913 -0.030 261 2HB GLN 33 HB1 GLN 33 -12.438 16.623 1.308 262 1HG GLN 33 HG2 GLN 33 -11.729 18.956 1.099 263 2HG GLN 33 HG1 GLN 33 -11.315 18.251 2.658 264 1HE2 GLN 33 HE21 GLN 33 -9.240 18.041 3.225 265 2HE2 GLN 33 HE22 GLN 33 -7.915 18.683 2.309 266 H GLY 34 HN GLY 34 -8.669 15.759 3.273 267 1HA GLY 34 HA2 GLY 34 -9.438 16.374 5.665 268 2HA GLY 34 HA1 GLY 34 -10.467 14.964 5.465 269 H TRP 35 HN TRP 35 -8.166 13.804 3.792 270 HA TRP 35 HA TRP 35 -6.595 12.845 6.092 271 1HB TRP 35 HB2 TRP 35 -7.010 11.576 3.363 272 2HB TRP 35 HB1 TRP 35 -6.064 10.871 4.688 273 HD1 TRP 35 HD1 TRP 35 -9.630 11.377 3.464 274 HE1 TRP 35 HE1 TRP 35 -11.221 9.981 4.913 275 HE3 TRP 35 HE3 TRP 35 -6.333 9.955 7.096 276 HZ2 TRP 35 HZ2 TRP 35 -11.095 8.470 7.282 277 HZ3 TRP 35 HZ3 TRP 35 -7.137 8.512 8.911 278 HH2 TRP 35 HH2 TRP 35 -9.466 7.784 9.012 279 H ARG 36 HN ARG 36 -4.381 12.964 6.083 280 HA ARG 36 HA ARG 36 -3.161 14.409 3.821 281 1HB ARG 36 HB2 ARG 36 -3.064 15.511 6.085 282 2HB ARG 36 HB1 ARG 36 -2.069 14.157 6.638 283 1HG ARG 36 HG2 ARG 36 -0.539 15.840 6.127 284 2HG ARG 36 HG1 ARG 36 -0.491 14.767 4.724 285 1HD ARG 36 HD2 ARG 36 -0.531 16.979 3.912 286 2HD ARG 36 HD1 ARG 36 -2.137 16.299 3.609 287 HE ARG 36 HE ARG 36 -1.570 18.036 5.925 288 1HH1 ARG 36 HH11 ARG 36 -3.520 17.195 3.119 289 2HH1 ARG 36 HH12 ARG 36 -4.706 18.430 3.433 290 1HH2 ARG 36 HH21 ARG 36 -3.119 19.670 6.321 291 2HH2 ARG 36 HH22 ARG 36 -4.471 19.849 5.248 292 H ALA 37 HN ALA 37 -1.464 13.450 2.742 293 HA ALA 37 HA ALA 37 -0.948 10.714 3.173 294 1HB ALA 37 HB1 ALA 37 -0.820 11.691 0.946 295 2HB ALA 37 HB2 ALA 37 0.706 10.938 1.388 296 3HB ALA 37 HB3 ALA 37 0.538 12.688 1.470 297 H ALA 38 HN ALA 38 0.383 9.859 4.649 298 HA ALA 38 HA ALA 38 2.880 11.031 5.346 299 1HB ALA 38 HB1 ALA 38 2.405 11.527 7.696 300 2HB ALA 38 HB2 ALA 38 0.678 11.273 7.385 301 3HB ALA 38 HB3 ALA 38 1.536 12.587 6.580 302 H GLY 39 HN GLY 39 3.561 8.920 4.899 303 1HA GLY 39 HA2 GLY 39 4.130 7.380 7.108 304 2HA GLY 39 HA1 GLY 39 2.637 6.709 6.451 305 H LYS 40 HN LYS 40 2.936 5.051 5.191 306 HA LYS 40 HA LYS 40 5.382 4.887 3.571 307 1HB LYS 40 HB2 LYS 40 5.654 3.497 5.582 308 2HB LYS 40 HB1 LYS 40 4.116 2.701 5.248 309 1HG LYS 40 HG2 LYS 40 5.945 1.267 4.629 310 2HG LYS 40 HG1 LYS 40 5.075 1.770 3.175 311 1HD LYS 40 HD2 LYS 40 6.756 3.385 2.651 312 2HD LYS 40 HD1 LYS 40 7.574 3.111 4.198 313 1HE LYS 40 HE2 LYS 40 7.195 0.996 2.078 314 2HE LYS 40 HE1 LYS 40 8.640 2.000 2.236 315 1HZ LYS 40 HZ1 LYS 40 8.864 -0.190 3.307 316 2HZ LYS 40 HZ2 LYS 40 7.608 0.214 4.385 317 3HZ LYS 40 HZ3 LYS 40 9.048 1.100 4.392 318 H SER 41 HN SER 41 5.112 4.155 1.530 319 HA SER 41 HA SER 41 2.384 3.365 0.778 320 1HB SER 41 HB2 SER 41 3.139 4.055 -1.544 321 2HB SER 41 HB1 SER 41 2.970 5.351 -0.372 322 HG SER 41 HG SER 41 5.044 5.738 -0.483 323 H GLY 42 HN GLY 42 2.041 1.488 -0.345 324 1HA GLY 42 HA2 GLY 42 3.606 -0.057 -1.864 325 2HA GLY 42 HA1 GLY 42 4.232 -0.409 -0.240 326 H LEU 43 HN LEU 43 3.587 -2.484 -0.039 327 HA LEU 43 HA LEU 43 0.938 -3.333 -0.797 328 1HB LEU 43 HB2 LEU 43 3.163 -4.740 0.686 329 2HB LEU 43 HB1 LEU 43 1.667 -5.519 0.191 330 HG LEU 43 HG LEU 43 3.225 -6.164 -1.421 331 1HD1 LEU 43 HD11 LEU 43 1.791 -3.771 -2.533 332 2HD1 LEU 43 HD12 LEU 43 1.170 -5.423 -2.419 333 3HD1 LEU 43 HD13 LEU 43 2.532 -5.070 -3.481 334 1HD2 LEU 43 HD21 LEU 43 5.016 -4.666 -0.831 335 2HD2 LEU 43 HD22 LEU 43 4.158 -3.320 -1.587 336 3HD2 LEU 43 HD23 LEU 43 4.745 -4.660 -2.579 337 H LYS 44 HN LYS 44 -0.234 -4.783 0.883 338 HA LYS 44 HA LYS 44 -1.355 -3.193 2.865 339 1HB LYS 44 HB2 LYS 44 -2.493 -5.115 1.980 340 2HB LYS 44 HB1 LYS 44 -1.219 -6.189 2.544 341 1HG LYS 44 HG2 LYS 44 -3.087 -6.480 3.966 342 2HG LYS 44 HG1 LYS 44 -1.869 -5.567 4.868 343 1HD LYS 44 HD2 LYS 44 -3.094 -3.549 4.617 344 2HD LYS 44 HD1 LYS 44 -4.187 -4.284 3.432 345 1HE LYS 44 HE2 LYS 44 -5.047 -5.770 5.147 346 2HE LYS 44 HE1 LYS 44 -3.937 -5.082 6.326 347 1HZ LYS 44 HZ1 LYS 44 -6.207 -4.220 6.493 348 2HZ LYS 44 HZ2 LYS 44 -6.084 -3.577 4.931 349 3HZ LYS 44 HZ3 LYS 44 -5.090 -2.993 6.182 350 H LYS 45 HN LYS 45 1.089 -5.723 3.095 351 HA LYS 45 HA LYS 45 1.443 -5.664 5.851 352 1HB LYS 45 HB2 LYS 45 3.765 -6.655 5.245 353 2HB LYS 45 HB1 LYS 45 2.312 -7.566 4.900 354 1HG LYS 45 HG2 LYS 45 3.653 -7.836 3.021 355 2HG LYS 45 HG1 LYS 45 2.465 -6.629 2.542 356 1HD LYS 45 HD2 LYS 45 4.637 -5.946 1.755 357 2HD LYS 45 HD1 LYS 45 4.124 -4.866 3.045 358 1HE LYS 45 HE2 LYS 45 5.547 -5.958 4.632 359 2HE LYS 45 HE1 LYS 45 5.915 -7.245 3.477 360 1HZ LYS 45 HZ1 LYS 45 7.716 -5.625 3.695 361 2HZ LYS 45 HZ2 LYS 45 6.679 -4.385 3.177 362 3HZ LYS 45 HZ3 LYS 45 7.082 -5.646 2.125 363 H ASP 46 HN ASP 46 2.843 -3.611 3.370 364 HA ASP 46 HA ASP 46 4.903 -2.532 4.985 365 1HB ASP 46 HB2 ASP 46 3.589 -1.443 2.497 366 2HB ASP 46 HB1 ASP 46 4.971 -0.682 3.276 367 H CYS 47 HN CYS 47 1.597 -1.645 4.307 368 HA CYS 47 HA CYS 47 1.656 0.806 5.695 369 1HB CYS 47 HB2 CYS 47 -0.670 -0.972 4.981 370 2HB CYS 47 HB1 CYS 47 -0.785 0.722 5.458 371 HG CYS 47 HG CYS 47 0.560 -0.512 2.563 372 H LEU 48 HN LEU 48 0.582 -2.453 6.512 373 HA LEU 48 HA LEU 48 -0.424 -2.035 9.043 374 1HB LEU 48 HB2 LEU 48 1.153 -4.414 8.079 375 2HB LEU 48 HB1 LEU 48 0.119 -4.370 9.493 376 HG LEU 48 HG LEU 48 -0.770 -4.114 6.626 377 1HD1 LEU 48 HD11 LEU 48 -0.153 -6.380 7.329 378 2HD1 LEU 48 HD12 LEU 48 -1.882 -6.225 7.008 379 3HD1 LEU 48 HD13 LEU 48 -1.282 -6.257 8.674 380 1HD2 LEU 48 HD21 LEU 48 -2.372 -3.996 9.193 381 2HD2 LEU 48 HD22 LEU 48 -3.054 -4.116 7.565 382 3HD2 LEU 48 HD23 LEU 48 -2.133 -2.682 8.039 383 H ALA 49 HN ALA 49 2.852 -2.878 8.086 384 HA ALA 49 HA ALA 49 4.088 -2.958 10.538 385 1HB ALA 49 HB1 ALA 49 5.161 -3.653 8.438 386 2HB ALA 49 HB2 ALA 49 6.177 -2.558 9.385 387 3HB ALA 49 HB3 ALA 49 5.295 -1.952 7.982 388 H TYR 50 HN TYR 50 3.652 -0.157 8.436 389 HA TYR 50 HA TYR 50 5.135 1.691 9.842 390 1HB TYR 50 HB2 TYR 50 4.283 2.238 7.654 391 2HB TYR 50 HB1 TYR 50 2.616 2.193 8.262 392 HD1 TYR 50 HD1 TYR 50 1.641 4.068 9.328 393 HD2 TYR 50 HD2 TYR 50 5.809 4.052 8.482 394 HE1 TYR 50 HE1 TYR 50 1.768 6.441 9.945 395 HE2 TYR 50 HE2 TYR 50 5.955 6.426 9.128 396 HH TYR 50 HH TYR 50 3.339 8.072 10.683 397 H ILE 51 HN ILE 51 1.649 1.019 10.274 398 HA ILE 51 HA ILE 51 1.310 3.006 12.259 399 HB ILE 51 HB ILE 51 -0.336 0.587 11.543 400 1HG1 ILE 51 HG12 ILE 51 -2.033 2.394 11.012 401 2HG1 ILE 51 HG11 ILE 51 -0.744 3.575 11.301 402 1HG2 ILE 51 HG21 ILE 51 -0.627 0.828 13.919 403 2HG2 ILE 51 HG22 ILE 51 -2.073 1.388 13.097 404 3HG2 ILE 51 HG23 ILE 51 -0.915 2.557 13.740 405 1HD1 ILE 51 HD11 ILE 51 -0.807 1.458 9.160 406 2HD1 ILE 51 HD12 ILE 51 0.546 2.563 9.465 407 3HD1 ILE 51 HD13 ILE 51 -1.020 3.190 8.949 408 H GLU 52 HN GLU 52 2.257 -0.376 12.458 409 HA GLU 52 HA GLU 52 2.137 -0.472 15.280 410 1HB GLU 52 HB2 GLU 52 3.629 -2.217 13.320 411 2HB GLU 52 HB1 GLU 52 3.428 -2.562 15.037 412 1HG GLU 52 HG2 GLU 52 0.975 -2.489 14.708 413 2HG GLU 52 HG1 GLU 52 1.271 -2.327 12.971 414 H GLU 53 HN GLU 53 4.688 0.460 13.049 415 HA GLU 53 HA GLU 53 6.920 0.439 14.496 416 1HB GLU 53 HB2 GLU 53 6.132 2.892 12.918 417 2HB GLU 53 HB1 GLU 53 7.766 2.351 13.274 418 1HG GLU 53 HG2 GLU 53 5.848 0.683 11.699 419 2HG GLU 53 HG1 GLU 53 6.831 1.922 10.945 420 H VAL 54 HN VAL 54 5.316 3.755 16.383 421 HA VAL 54 HA VAL 54 4.409 2.883 13.736 422 HB VAL 54 HB VAL 54 2.565 3.356 15.151 423 1HG1 VAL 54 HG11 VAL 54 2.313 5.433 16.427 424 2HG1 VAL 54 HG12 VAL 54 3.924 5.948 15.918 425 3HG1 VAL 54 HG13 VAL 54 3.742 4.526 16.942 426 1HG2 VAL 54 HG21 VAL 54 1.479 5.276 14.147 427 2HG2 VAL 54 HG22 VAL 54 2.312 4.329 12.928 428 3HG2 VAL 54 HG23 VAL 54 3.024 5.855 13.515 429 H TRP 55 HN TRP 55 5.886 5.630 15.387 430 HA TRP 55 HA TRP 55 6.015 7.229 13.012 431 1HB TRP 55 HB2 TRP 55 7.363 7.510 15.701 432 2HB TRP 55 HB1 TRP 55 7.513 8.689 14.397 433 HD1 TRP 55 HD1 TRP 55 5.062 7.391 17.031 434 HE1 TRP 55 HE1 TRP 55 3.083 9.034 17.227 435 HE3 TRP 55 HE3 TRP 55 6.134 10.452 13.045 436 HZ2 TRP 55 HZ2 TRP 55 2.121 11.315 15.869 437 HZ3 TRP 55 HZ3 TRP 55 4.631 12.353 12.586 438 HH2 TRP 55 HH2 TRP 55 2.681 12.766 13.975 439 H THR 56 HN THR 56 6.998 5.652 11.646 440 HA THR 56 HA THR 56 8.660 4.693 10.468 441 HB THR 56 HB THR 56 10.837 5.889 10.349 442 HG1 THR 56 HG1 THR 56 9.736 7.242 12.538 443 1HG2 THR 56 HG21 THR 56 9.907 7.930 9.340 444 2HG2 THR 56 HG22 THR 56 8.351 7.552 10.090 445 3HG2 THR 56 HG23 THR 56 9.028 6.471 8.874 446 H ASP 57 HN ASP 57 10.798 5.666 13.115 447 HA ASP 57 HA ASP 57 12.201 4.483 14.432 448 1HB ASP 57 HB2 ASP 57 9.820 2.700 14.291 449 2HB ASP 57 HB1 ASP 57 11.311 2.063 15.025 450 H MET 58 HN MET 58 13.167 2.076 14.652 451 HA MET 58 HA MET 58 13.651 0.970 12.007 452 1HB MET 58 HB2 MET 58 15.496 2.585 12.407 453 2HB MET 58 HB1 MET 58 15.908 1.701 13.871 454 1HG MET 58 HG2 MET 58 17.336 1.171 11.910 455 2HG MET 58 HG1 MET 58 16.532 -0.225 12.616 456 1HE MET 58 HE1 MET 58 16.858 -1.797 10.620 457 2HE MET 58 HE2 MET 58 17.827 -0.548 9.830 458 3HE MET 58 HE3 MET 58 16.537 -1.349 8.949 459 H ARG 59 HN ARG 59 12.071 -0.364 13.263 460 HA ARG 59 HA ARG 59 13.536 -2.624 14.403 461 1HB ARG 59 HB2 ARG 59 11.853 -2.800 16.262 462 2HB ARG 59 HB1 ARG 59 12.977 -1.462 16.408 463 1HG ARG 59 HG2 ARG 59 11.289 0.091 15.643 464 2HG ARG 59 HG1 ARG 59 10.145 -1.229 15.409 465 1HD ARG 59 HD2 ARG 59 9.667 -0.130 17.497 466 2HD ARG 59 HD1 ARG 59 10.309 -1.738 17.825 467 HE ARG 59 HE ARG 59 12.514 -0.408 18.111 468 1HH1 ARG 59 HH11 ARG 59 9.313 0.627 19.068 469 2HH1 ARG 59 HH12 ARG 59 9.893 1.711 20.294 470 1HH2 ARG 59 HH21 ARG 59 13.289 0.983 19.730 471 2HH2 ARG 59 HH22 ARG 59 12.160 1.919 20.681 472 HA PRO 60 HA PRO 60 10.439 -3.861 11.257 473 1HB PRO 60 HB2 PRO 60 11.728 -6.259 10.745 474 2HB PRO 60 HB1 PRO 60 12.051 -4.733 9.897 475 1HG PRO 60 HG2 PRO 60 13.571 -6.005 12.133 476 2HG PRO 60 HG1 PRO 60 14.157 -5.108 10.712 477 1HD PRO 60 HD2 PRO 60 14.045 -3.988 13.175 478 2HD PRO 60 HD1 PRO 60 13.784 -3.058 11.681 479 H LEU 61 HN LEU 61 8.827 -5.456 11.302 480 HA LEU 61 HA LEU 61 8.030 -6.306 13.867 481 1HB LEU 61 HB2 LEU 61 7.164 -7.259 11.115 482 2HB LEU 61 HB1 LEU 61 6.344 -7.682 12.610 483 HG LEU 61 HG LEU 61 6.636 -4.892 11.510 484 1HD1 LEU 61 HD11 LEU 61 5.099 -6.220 10.160 485 2HD1 LEU 61 HD12 LEU 61 4.201 -5.045 11.121 486 3HD1 LEU 61 HD13 LEU 61 4.246 -6.743 11.615 487 1HD2 LEU 61 HD21 LEU 61 6.564 -4.911 13.944 488 2HD2 LEU 61 HD22 LEU 61 5.109 -5.916 13.910 489 3HD2 LEU 61 HD23 LEU 61 5.070 -4.263 13.284 490 H SER 62 HN SER 62 9.802 -7.906 11.297 491 HA SER 62 HA SER 62 9.670 -10.514 12.490 492 1HB SER 62 HB2 SER 62 11.514 -9.561 10.292 493 2HB SER 62 HB1 SER 62 10.986 -11.212 10.615 494 HG SER 62 HG SER 62 9.087 -10.829 9.719 495 H LEU 63 HN LEU 63 11.403 -7.792 13.342 496 HA LEU 63 HA LEU 63 13.823 -9.165 14.130 497 1HB LEU 63 HB2 LEU 63 13.831 -6.757 13.462 498 2HB LEU 63 HB1 LEU 63 12.843 -6.405 14.877 499 HG LEU 63 HG LEU 63 14.719 -7.198 16.304 500 1HD1 LEU 63 HD11 LEU 63 16.214 -7.344 13.706 501 2HD1 LEU 63 HD12 LEU 63 15.772 -8.716 14.715 502 3HD1 LEU 63 HD13 LEU 63 16.922 -7.517 15.314 503 1HD2 LEU 63 HD21 LEU 63 15.433 -5.003 14.361 504 2HD2 LEU 63 HD22 LEU 63 16.132 -5.260 15.965 505 3HD2 LEU 63 HD23 LEU 63 14.434 -4.831 15.804 506 H ARG 64 HN ARG 64 10.802 -8.086 15.523 507 HA ARG 64 HA ARG 64 11.531 -9.084 18.156 508 1HB ARG 64 HB2 ARG 64 8.914 -7.941 17.137 509 2HB ARG 64 HB1 ARG 64 9.254 -8.356 18.825 510 1HG ARG 64 HG2 ARG 64 11.078 -6.675 18.820 511 2HG ARG 64 HG1 ARG 64 10.586 -6.172 17.201 512 1HD ARG 64 HD2 ARG 64 9.613 -4.719 18.885 513 2HD ARG 64 HD1 ARG 64 8.362 -5.629 18.051 514 HE ARG 64 HE ARG 64 9.024 -7.092 20.303 515 1HH1 ARG 64 HH11 ARG 64 7.657 -3.936 19.563 516 2HH1 ARG 64 HH12 ARG 64 6.746 -3.853 21.046 517 1HH2 ARG 64 HH21 ARG 64 7.875 -6.960 22.238 518 2HH2 ARG 64 HH22 ARG 64 6.895 -5.565 22.582 519 H GLN 65 HN GLN 65 9.308 -9.800 15.522 520 HA GLN 65 HA GLN 65 8.498 -12.315 16.666 521 1HB GLN 65 HB2 GLN 65 7.952 -10.925 14.059 522 2HB GLN 65 HB1 GLN 65 7.389 -12.562 14.365 523 1HG GLN 65 HG2 GLN 65 5.990 -11.837 16.143 524 2HG GLN 65 HG1 GLN 65 6.724 -10.228 16.145 525 1HE2 GLN 65 HE21 GLN 65 6.051 -8.710 14.731 526 2HE2 GLN 65 HE22 GLN 65 4.715 -8.936 13.651 527 H HIS 66 HN HIS 66 10.171 -13.690 16.830 528 HA HIS 66 HA HIS 66 12.128 -13.898 14.716 529 1HB HIS 66 HB2 HIS 66 11.776 -15.468 17.283 530 2HB HIS 66 HB1 HIS 66 13.108 -15.705 16.163 531 HD1 HIS 66 HD1 HIS 66 12.361 -13.980 19.173 532 HD2 HIS 66 HD2 HIS 66 14.492 -13.018 15.742 533 HE1 HIS 66 HE1 HIS 66 13.816 -12.051 19.800 534 HE2 HIS 66 HE2 HIS 66 15.226 -11.585 17.762 535 H MET 67 HN MET 67 9.133 -15.358 15.444 536 HA MET 67 HA MET 67 9.689 -17.787 13.947 537 1HB MET 67 HB2 MET 67 7.160 -16.665 15.160 538 2HB MET 67 HB1 MET 67 7.214 -18.169 14.263 539 1HG MET 67 HG2 MET 67 8.823 -17.623 16.742 540 2HG MET 67 HG1 MET 67 7.251 -18.432 16.725 541 1HE MET 67 HE1 MET 67 11.051 -18.822 16.409 542 2HE MET 67 HE2 MET 67 10.694 -18.668 14.702 543 3HE MET 67 HE3 MET 67 11.267 -20.205 15.337 544 H ASP 68 HN ASP 68 8.606 -14.572 13.359 545 HA ASP 68 HA ASP 68 7.666 -15.220 10.692 546 1HB ASP 68 HB2 ASP 68 6.662 -13.301 12.025 547 2HB ASP 68 HB1 ASP 68 8.210 -12.486 11.871 548 H LYS 69 HN LYS 69 9.327 -16.006 9.527 549 HA LYS 69 HA LYS 69 12.026 -15.352 10.105 550 1HB LYS 69 HB2 LYS 69 11.013 -16.756 7.617 551 2HB LYS 69 HB1 LYS 69 12.599 -16.907 8.362 552 1HG LYS 69 HG2 LYS 69 11.563 -18.006 10.319 553 2HG LYS 69 HG1 LYS 69 9.999 -17.872 9.535 554 1HD LYS 69 HD2 LYS 69 10.857 -19.221 7.639 555 2HD LYS 69 HD1 LYS 69 12.372 -19.426 8.518 556 1HE LYS 69 HE2 LYS 69 9.648 -20.371 9.408 557 2HE LYS 69 HE1 LYS 69 10.936 -21.379 8.767 558 1HZ LYS 69 HZ1 LYS 69 11.146 -21.654 11.035 559 2HZ LYS 69 HZ2 LYS 69 10.729 -20.054 11.388 560 3HZ LYS 69 HZ3 LYS 69 12.269 -20.403 10.759 561 H ALA 70 HN ALA 70 12.520 -13.254 9.760 562 HA ALA 70 HA ALA 70 13.245 -12.507 7.119 563 1HB ALA 70 HB1 ALA 70 11.838 -10.510 6.876 564 2HB ALA 70 HB2 ALA 70 10.996 -10.940 8.367 565 3HB ALA 70 HB3 ALA 70 10.857 -11.982 6.952 566 H ALA 71 HN ALA 71 14.170 -12.705 9.998 567 HA ALA 71 HA ALA 71 14.720 -10.031 10.856 568 1HB ALA 71 HB1 ALA 71 15.902 -12.650 11.752 569 2HB ALA 71 HB2 ALA 71 14.516 -11.829 12.466 570 3HB ALA 71 HB3 ALA 71 16.108 -11.094 12.557 571 H GLY 72 HN GLY 72 16.600 -8.866 10.627 572 1HA GLY 72 HA2 GLY 72 18.955 -8.784 9.967 573 2HA GLY 72 HA1 GLY 72 18.616 -10.052 8.808 Start of MODEL 15 1 1H MET 1 HT1 MET 1 7.712 -16.043 -10.155 2 2H MET 1 HT2 MET 1 8.625 -17.152 -11.044 3 3H MET 1 HT3 MET 1 7.310 -17.688 -10.128 4 HA MET 1 HA MET 1 7.210 -15.963 -12.522 5 1HB MET 1 HB2 MET 1 7.591 -18.235 -13.144 6 2HB MET 1 HB1 MET 1 6.373 -18.823 -12.005 7 1HG MET 1 HG2 MET 1 5.555 -18.914 -14.279 8 2HG MET 1 HG1 MET 1 4.621 -17.763 -13.323 9 1HE MET 1 HE1 MET 1 4.589 -16.238 -16.944 10 2HE MET 1 HE2 MET 1 3.602 -16.813 -15.599 11 3HE MET 1 HE3 MET 1 4.586 -17.947 -16.525 12 H THR 2 HN THR 2 5.316 -14.891 -12.888 13 HA THR 2 HA THR 2 3.490 -14.479 -10.780 14 HB THR 2 HB THR 2 3.174 -13.852 -13.727 15 HG1 THR 2 HG1 THR 2 4.216 -12.340 -11.555 16 1HG2 THR 2 HG21 THR 2 1.706 -12.720 -11.329 17 2HG2 THR 2 HG22 THR 2 1.019 -13.765 -12.573 18 3HG2 THR 2 HG23 THR 2 1.558 -12.146 -12.998 19 H SER 3 HN SER 3 2.493 -16.350 -10.078 20 HA SER 3 HA SER 3 0.244 -17.252 -11.579 21 1HB SER 3 HB2 SER 3 2.479 -19.243 -11.060 22 2HB SER 3 HB1 SER 3 0.869 -19.657 -11.631 23 HG SER 3 HG SER 3 2.113 -17.732 -13.136 24 H VAL 4 HN VAL 4 2.463 -17.943 -8.894 25 HA VAL 4 HA VAL 4 0.423 -19.330 -7.398 26 HB VAL 4 HB VAL 4 3.248 -18.602 -6.591 27 1HG1 VAL 4 HG11 VAL 4 1.866 -19.019 -4.661 28 2HG1 VAL 4 HG12 VAL 4 2.972 -20.365 -4.894 29 3HG1 VAL 4 HG13 VAL 4 1.278 -20.513 -5.378 30 1HG2 VAL 4 HG21 VAL 4 3.787 -20.926 -7.165 31 2HG2 VAL 4 HG22 VAL 4 3.232 -20.023 -8.568 32 3HG2 VAL 4 HG23 VAL 4 2.133 -21.143 -7.752 33 H PHE 5 HN PHE 5 2.435 -16.424 -6.845 34 HA PHE 5 HA PHE 5 0.265 -15.231 -5.329 35 1HB PHE 5 HB2 PHE 5 1.553 -16.570 -3.674 36 2HB PHE 5 HB1 PHE 5 3.001 -15.659 -4.105 37 HD1 PHE 5 HD1 PHE 5 3.594 -14.008 -2.661 38 HD2 PHE 5 HD2 PHE 5 -0.538 -14.932 -3.097 39 HE1 PHE 5 HE1 PHE 5 3.020 -12.303 -0.951 40 HE2 PHE 5 HE2 PHE 5 -1.108 -13.247 -1.392 41 HZ PHE 5 HZ PHE 5 0.671 -11.931 -0.330 42 H ASP 6 HN ASP 6 0.626 -14.151 -7.532 43 HA ASP 6 HA ASP 6 2.340 -11.806 -7.035 44 1HB ASP 6 HB2 ASP 6 1.589 -13.207 -9.548 45 2HB ASP 6 HB1 ASP 6 1.846 -11.458 -9.602 46 H ARG 7 HN ARG 7 -0.691 -12.877 -6.733 47 HA ARG 7 HA ARG 7 -2.088 -10.558 -7.760 48 1HB ARG 7 HB2 ARG 7 -3.100 -12.825 -6.050 49 2HB ARG 7 HB1 ARG 7 -4.091 -11.635 -6.898 50 1HG ARG 7 HG2 ARG 7 -3.297 -12.480 -9.026 51 2HG ARG 7 HG1 ARG 7 -2.253 -13.643 -8.202 52 1HD ARG 7 HD2 ARG 7 -4.365 -14.542 -7.118 53 2HD ARG 7 HD1 ARG 7 -5.268 -13.528 -8.271 54 HE ARG 7 HE ARG 7 -4.366 -14.835 -10.050 55 1HH1 ARG 7 HH11 ARG 7 -3.763 -16.110 -6.839 56 2HH1 ARG 7 HH12 ARG 7 -3.415 -17.716 -7.417 57 1HH2 ARG 7 HH21 ARG 7 -3.969 -16.948 -10.806 58 2HH2 ARG 7 HH22 ARG 7 -3.568 -18.197 -9.654 59 H ASP 8 HN ASP 8 -3.402 -9.212 -6.399 60 HA ASP 8 HA ASP 8 -3.806 -7.859 -4.630 61 1HB ASP 8 HB2 ASP 8 -4.087 -10.080 -3.410 62 2HB ASP 8 HB1 ASP 8 -2.419 -9.879 -2.843 63 H ASP 9 HN ASP 9 -1.248 -7.926 -6.142 64 HA ASP 9 HA ASP 9 0.723 -6.856 -4.321 65 1HB ASP 9 HB2 ASP 9 2.126 -6.550 -6.255 66 2HB ASP 9 HB1 ASP 9 1.362 -8.143 -6.342 67 H ILE 10 HN ILE 10 -1.469 -5.472 -3.902 68 HA ILE 10 HA ILE 10 -1.663 -3.139 -5.591 69 HB ILE 10 HB ILE 10 -3.765 -3.948 -4.852 70 1HG1 ILE 10 HG12 ILE 10 -3.050 -1.582 -3.091 71 2HG1 ILE 10 HG11 ILE 10 -3.570 -1.495 -4.763 72 1HG2 ILE 10 HG21 ILE 10 -3.050 -5.352 -3.023 73 2HG2 ILE 10 HG22 ILE 10 -4.330 -4.276 -2.482 74 3HG2 ILE 10 HG23 ILE 10 -2.662 -3.936 -2.034 75 1HD1 ILE 10 HD11 ILE 10 -5.755 -2.388 -4.144 76 2HD1 ILE 10 HD12 ILE 10 -5.376 -0.925 -3.237 77 3HD1 ILE 10 HD13 ILE 10 -5.232 -2.500 -2.450 78 H GLN 11 HN GLN 11 -1.142 -1.030 -4.952 79 HA GLN 11 HA GLN 11 0.773 -0.910 -2.763 80 1HB GLN 11 HB2 GLN 11 0.215 1.018 -5.030 81 2HB GLN 11 HB1 GLN 11 1.291 1.388 -3.670 82 1HG GLN 11 HG2 GLN 11 2.811 0.643 -5.166 83 2HG GLN 11 HG1 GLN 11 2.411 -0.891 -4.379 84 1HE2 GLN 11 HE21 GLN 11 3.514 -0.377 -7.003 85 2HE2 GLN 11 HE22 GLN 11 2.420 -1.084 -8.163 86 H PHE 12 HN PHE 12 0.341 0.069 -0.944 87 HA PHE 12 HA PHE 12 -2.116 1.651 -0.710 88 1HB PHE 12 HB2 PHE 12 -0.749 -0.149 1.301 89 2HB PHE 12 HB1 PHE 12 -1.980 1.030 1.762 90 HD1 PHE 12 HD1 PHE 12 -1.358 -2.246 0.437 91 HD2 PHE 12 HD2 PHE 12 -4.286 0.799 0.858 92 HE1 PHE 12 HE1 PHE 12 -3.132 -3.905 0.022 93 HE2 PHE 12 HE2 PHE 12 -6.050 -0.836 0.458 94 HZ PHE 12 HZ PHE 12 -5.490 -3.205 0.055 95 H GLN 13 HN GLN 13 -2.035 3.369 0.812 96 HA GLN 13 HA GLN 13 0.654 4.273 1.558 97 1HB GLN 13 HB2 GLN 13 0.094 6.564 0.914 98 2HB GLN 13 HB1 GLN 13 0.057 5.467 -0.478 99 1HG GLN 13 HG2 GLN 13 -2.421 5.370 -0.269 100 2HG GLN 13 HG1 GLN 13 -2.314 6.575 1.020 101 1HE2 GLN 13 HE21 GLN 13 -1.724 8.695 0.520 102 2HE2 GLN 13 HE22 GLN 13 -1.781 9.298 -1.101 103 H VAL 14 HN VAL 14 0.692 5.572 3.450 104 HA VAL 14 HA VAL 14 -1.619 4.958 5.126 105 HB VAL 14 HB VAL 14 1.089 6.062 5.945 106 1HG1 VAL 14 HG11 VAL 14 0.392 5.477 8.227 107 2HG1 VAL 14 HG12 VAL 14 -1.177 4.982 7.610 108 3HG1 VAL 14 HG13 VAL 14 -0.690 6.674 7.500 109 1HG2 VAL 14 HG21 VAL 14 1.320 3.813 5.076 110 2HG2 VAL 14 HG22 VAL 14 0.021 3.262 6.111 111 3HG2 VAL 14 HG23 VAL 14 1.533 3.808 6.824 112 H VAL 15 HN VAL 15 -3.062 6.485 5.641 113 HA VAL 15 HA VAL 15 -2.292 9.282 5.067 114 HB VAL 15 HB VAL 15 -4.730 9.726 4.760 115 1HG1 VAL 15 HG11 VAL 15 -3.600 7.612 2.918 116 2HG1 VAL 15 HG12 VAL 15 -3.265 9.346 2.845 117 3HG1 VAL 15 HG13 VAL 15 -4.890 8.740 2.538 118 1HG2 VAL 15 HG21 VAL 15 -6.270 7.850 4.406 119 2HG2 VAL 15 HG22 VAL 15 -5.639 7.888 6.058 120 3HG2 VAL 15 HG23 VAL 15 -5.001 6.736 4.895 121 H VAL 16 HN VAL 16 -2.830 10.855 6.548 122 HA VAL 16 HA VAL 16 -3.976 9.964 9.099 123 HB VAL 16 HB VAL 16 -1.524 9.930 9.347 124 1HG1 VAL 16 HG11 VAL 16 -0.169 11.944 9.108 125 2HG1 VAL 16 HG12 VAL 16 -1.592 12.839 8.590 126 3HG1 VAL 16 HG13 VAL 16 -0.966 11.533 7.588 127 1HG2 VAL 16 HG21 VAL 16 -1.304 11.380 11.272 128 2HG2 VAL 16 HG22 VAL 16 -2.870 10.569 11.262 129 3HG2 VAL 16 HG23 VAL 16 -2.746 12.266 10.795 130 H ASN 17 HN ASN 17 -5.202 11.528 10.132 131 HA ASN 17 HA ASN 17 -5.859 13.861 8.501 132 1HB ASN 17 HB2 ASN 17 -7.913 13.984 9.714 133 2HB ASN 17 HB1 ASN 17 -7.657 12.293 9.326 134 1HD2 ASN 17 HD21 ASN 17 -9.372 13.207 11.312 135 2HD2 ASN 17 HD22 ASN 17 -8.772 12.673 12.840 136 H HIS 18 HN HIS 18 -6.790 15.639 10.426 137 HA HIS 18 HA HIS 18 -4.236 16.643 11.303 138 1HB HIS 18 HB2 HIS 18 -6.405 17.912 10.343 139 2HB HIS 18 HB1 HIS 18 -6.716 18.059 12.061 140 HD1 HIS 18 HD1 HIS 18 -5.402 19.775 13.373 141 HD2 HIS 18 HD2 HIS 18 -4.019 19.232 9.497 142 HE1 HIS 18 HE1 HIS 18 -3.689 21.597 12.995 143 HE2 HIS 18 HE2 HIS 18 -2.903 21.280 10.630 144 H GLU 19 HN GLU 19 -6.007 14.396 12.588 145 HA GLU 19 HA GLU 19 -5.683 15.294 15.378 146 1HB GLU 19 HB2 GLU 19 -7.502 13.144 14.288 147 2HB GLU 19 HB1 GLU 19 -7.358 13.604 15.980 148 1HG GLU 19 HG2 GLU 19 -8.193 15.832 15.457 149 2HG GLU 19 HG1 GLU 19 -8.342 15.379 13.743 150 H GLU 20 HN GLU 20 -4.082 13.758 13.144 151 HA GLU 20 HA GLU 20 -2.406 12.259 13.046 152 1HB GLU 20 HB2 GLU 20 -1.750 13.659 15.071 153 2HB GLU 20 HB1 GLU 20 -2.368 12.323 16.061 154 1HG GLU 20 HG2 GLU 20 -0.742 10.820 14.924 155 2HG GLU 20 HG1 GLU 20 -0.112 12.228 14.057 156 H GLN 21 HN GLN 21 -4.936 11.145 12.903 157 HA GLN 21 HA GLN 21 -4.459 8.554 14.198 158 1HB GLN 21 HB2 GLN 21 -6.748 7.984 13.924 159 2HB GLN 21 HB1 GLN 21 -6.692 9.615 14.588 160 1HG GLN 21 HG2 GLN 21 -6.983 10.450 12.217 161 2HG GLN 21 HG1 GLN 21 -7.332 8.771 11.777 162 1HE2 GLN 21 HE21 GLN 21 -9.416 9.233 11.176 163 2HE2 GLN 21 HE22 GLN 21 -10.659 9.570 12.326 164 H TYR 22 HN TYR 22 -4.443 6.648 12.907 165 HA TYR 22 HA TYR 22 -3.533 7.344 10.198 166 1HB TYR 22 HB2 TYR 22 -2.489 5.234 12.086 167 2HB TYR 22 HB1 TYR 22 -1.969 5.390 10.411 168 HD1 TYR 22 HD1 TYR 22 -1.647 6.629 13.790 169 HD2 TYR 22 HD2 TYR 22 -0.680 7.444 9.727 170 HE1 TYR 22 HE1 TYR 22 0.040 8.239 14.527 171 HE2 TYR 22 HE2 TYR 22 1.023 9.050 10.466 172 HH TYR 22 HH TYR 22 1.455 10.485 12.477 173 H SER 23 HN SER 23 -4.066 6.122 8.497 174 HA SER 23 HA SER 23 -5.250 3.508 8.770 175 1HB SER 23 HB2 SER 23 -6.805 5.791 7.502 176 2HB SER 23 HB1 SER 23 -7.270 4.086 7.426 177 HG SER 23 HG SER 23 -6.814 4.824 9.979 178 H ILE 24 HN ILE 24 -5.811 2.785 6.302 179 HA ILE 24 HA ILE 24 -3.567 3.781 4.702 180 HB ILE 24 HB ILE 24 -3.207 1.552 3.790 181 1HG1 ILE 24 HG12 ILE 24 -5.219 0.656 5.860 182 2HG1 ILE 24 HG11 ILE 24 -5.444 0.608 4.132 183 1HG2 ILE 24 HG21 ILE 24 -1.841 2.295 5.635 184 2HG2 ILE 24 HG22 ILE 24 -2.123 0.554 5.767 185 3HG2 ILE 24 HG23 ILE 24 -3.025 1.683 6.790 186 1HD1 ILE 24 HD11 ILE 24 -4.926 -1.589 5.034 187 2HD1 ILE 24 HD12 ILE 24 -3.405 -0.964 5.667 188 3HD1 ILE 24 HD13 ILE 24 -3.666 -1.038 3.922 189 H TRP 25 HN TRP 25 -3.854 3.844 2.481 190 HA TRP 25 HA TRP 25 -6.578 3.445 1.503 191 1HB TRP 25 HB2 TRP 25 -6.130 5.837 2.297 192 2HB TRP 25 HB1 TRP 25 -4.989 5.955 0.945 193 HD1 TRP 25 HD1 TRP 25 -5.993 6.961 -1.160 194 HE1 TRP 25 HE1 TRP 25 -8.355 7.272 -2.132 195 HE3 TRP 25 HE3 TRP 25 -8.652 4.425 2.375 196 HZ2 TRP 25 HZ2 TRP 25 -10.987 6.529 -1.489 197 HZ3 TRP 25 HZ3 TRP 25 -11.109 4.265 2.118 198 HH2 TRP 25 HH2 TRP 25 -12.247 5.288 0.215 199 HA PRO 26 HA PRO 26 -4.291 1.651 -1.915 200 1HB PRO 26 HB2 PRO 26 -6.646 2.389 -3.571 201 2HB PRO 26 HB1 PRO 26 -5.896 0.811 -3.272 202 1HG PRO 26 HG2 PRO 26 -8.258 1.461 -2.156 203 2HG PRO 26 HG1 PRO 26 -7.068 0.459 -1.311 204 1HD PRO 26 HD2 PRO 26 -7.699 3.361 -0.951 205 2HD PRO 26 HD1 PRO 26 -7.331 2.124 0.281 206 H GLU 27 HN GLU 27 -2.842 2.552 -3.244 207 HA GLU 27 HA GLU 27 -2.621 5.349 -3.321 208 1HB GLU 27 HB2 GLU 27 -0.711 3.721 -3.349 209 2HB GLU 27 HB1 GLU 27 -1.113 3.335 -5.023 210 1HG GLU 27 HG2 GLU 27 -0.773 5.720 -5.600 211 2HG GLU 27 HG1 GLU 27 -0.236 6.026 -3.946 212 H TYR 28 HN TYR 28 -4.085 3.074 -5.466 213 HA TYR 28 HA TYR 28 -4.026 4.586 -7.877 214 1HB TYR 28 HB2 TYR 28 -6.196 2.646 -7.067 215 2HB TYR 28 HB1 TYR 28 -5.639 3.054 -8.691 216 HD1 TYR 28 HD1 TYR 28 -5.413 0.767 -6.033 217 HD2 TYR 28 HD2 TYR 28 -3.175 2.357 -9.290 218 HE1 TYR 28 HE1 TYR 28 -3.917 -1.182 -5.957 219 HE2 TYR 28 HE2 TYR 28 -1.686 0.421 -9.216 220 HH TYR 28 HH TYR 28 -0.954 -1.301 -7.475 221 H LYS 29 HN LYS 29 -5.962 4.809 -4.994 222 HA LYS 29 HA LYS 29 -8.028 6.350 -6.379 223 1HB LYS 29 HB2 LYS 29 -7.991 5.184 -3.599 224 2HB LYS 29 HB1 LYS 29 -9.345 6.047 -4.336 225 1HG LYS 29 HG2 LYS 29 -9.454 4.269 -6.058 226 2HG LYS 29 HG1 LYS 29 -8.174 3.415 -5.190 227 1HD LYS 29 HD2 LYS 29 -9.582 3.272 -3.213 228 2HD LYS 29 HD1 LYS 29 -10.879 4.116 -4.046 229 1HE LYS 29 HE2 LYS 29 -10.962 2.290 -5.703 230 2HE LYS 29 HE1 LYS 29 -9.693 1.454 -4.807 231 1HZ LYS 29 HZ1 LYS 29 -11.934 0.620 -4.284 232 2HZ LYS 29 HZ2 LYS 29 -12.366 2.166 -3.720 233 3HZ LYS 29 HZ3 LYS 29 -11.168 1.274 -2.915 234 H GLU 30 HN GLU 30 -8.586 8.388 -5.771 235 HA GLU 30 HA GLU 30 -6.557 10.036 -4.628 236 1HB GLU 30 HB2 GLU 30 -8.197 10.811 -6.347 237 2HB GLU 30 HB1 GLU 30 -9.481 10.653 -5.157 238 1HG GLU 30 HG2 GLU 30 -8.801 12.956 -5.365 239 2HG GLU 30 HG1 GLU 30 -8.406 12.347 -3.767 240 H ILE 31 HN ILE 31 -6.394 10.891 -2.537 241 HA ILE 31 HA ILE 31 -7.702 9.552 -0.426 242 HB ILE 31 HB ILE 31 -6.232 12.188 -0.312 243 1HG1 ILE 31 HG12 ILE 31 -5.075 9.395 -0.047 244 2HG1 ILE 31 HG11 ILE 31 -4.896 10.433 -1.465 245 1HG2 ILE 31 HG21 ILE 31 -6.648 10.048 1.780 246 2HG2 ILE 31 HG22 ILE 31 -7.454 11.611 1.726 247 3HG2 ILE 31 HG23 ILE 31 -5.720 11.535 1.979 248 1HD1 ILE 31 HD11 ILE 31 -3.881 11.048 1.306 249 2HD1 ILE 31 HD12 ILE 31 -3.678 12.071 -0.120 250 3HD1 ILE 31 HD13 ILE 31 -2.898 10.491 -0.057 251 HA PRO 32 HA PRO 32 -11.467 12.024 -0.102 252 1HB PRO 32 HB2 PRO 32 -11.760 11.640 2.630 253 2HB PRO 32 HB1 PRO 32 -12.412 10.581 1.379 254 1HG PRO 32 HG2 PRO 32 -9.959 10.276 3.039 255 2HG PRO 32 HG1 PRO 32 -11.097 9.035 2.449 256 1HD PRO 32 HD2 PRO 32 -8.700 9.390 1.300 257 2HD PRO 32 HD1 PRO 32 -10.123 8.945 0.353 258 H GLN 33 HN GLN 33 -11.854 14.142 0.455 259 HA GLN 33 HA GLN 33 -9.651 15.709 1.307 260 1HB GLN 33 HB2 GLN 33 -11.501 16.469 -0.246 261 2HB GLN 33 HB1 GLN 33 -12.544 16.593 1.172 262 1HG GLN 33 HG2 GLN 33 -10.867 18.184 2.135 263 2HG GLN 33 HG1 GLN 33 -10.055 18.166 0.564 264 1HE2 GLN 33 HE21 GLN 33 -11.111 19.118 -1.231 265 2HE2 GLN 33 HE22 GLN 33 -12.404 20.244 -1.019 266 H GLY 34 HN GLY 34 -8.950 15.856 3.276 267 1HA GLY 34 HA2 GLY 34 -9.821 16.660 5.579 268 2HA GLY 34 HA1 GLY 34 -10.746 15.180 5.498 269 H TRP 35 HN TRP 35 -8.494 13.910 3.975 270 HA TRP 35 HA TRP 35 -6.791 13.355 6.280 271 1HB TRP 35 HB2 TRP 35 -7.505 11.637 3.911 272 2HB TRP 35 HB1 TRP 35 -6.235 11.220 5.059 273 HD1 TRP 35 HD1 TRP 35 -10.070 11.685 4.916 274 HE1 TRP 35 HE1 TRP 35 -11.102 10.257 6.820 275 HE3 TRP 35 HE3 TRP 35 -5.768 10.139 7.189 276 HZ2 TRP 35 HZ2 TRP 35 -10.174 8.691 8.993 277 HZ3 TRP 35 HZ3 TRP 35 -5.912 8.690 9.147 278 HH2 TRP 35 HH2 TRP 35 -8.081 7.994 10.050 279 H ARG 36 HN ARG 36 -4.506 12.882 5.792 280 HA ARG 36 HA ARG 36 -3.535 14.133 3.318 281 1HB ARG 36 HB2 ARG 36 -3.378 15.766 5.114 282 2HB ARG 36 HB1 ARG 36 -2.527 14.601 6.120 283 1HG ARG 36 HG2 ARG 36 -0.656 14.611 4.576 284 2HG ARG 36 HG1 ARG 36 -1.519 15.749 3.538 285 1HD ARG 36 HD2 ARG 36 0.131 16.862 4.958 286 2HD ARG 36 HD1 ARG 36 -1.518 17.396 5.294 287 HE ARG 36 HE ARG 36 -1.480 16.024 7.295 288 1HH1 ARG 36 HH11 ARG 36 1.613 16.657 5.758 289 2HH1 ARG 36 HH12 ARG 36 2.531 16.496 7.235 290 1HH2 ARG 36 HH21 ARG 36 -0.269 15.843 9.253 291 2HH2 ARG 36 HH22 ARG 36 1.454 16.011 9.205 292 H ALA 37 HN ALA 37 -1.598 13.266 2.547 293 HA ALA 37 HA ALA 37 -1.208 10.525 3.213 294 1HB ALA 37 HB1 ALA 37 0.357 12.310 1.378 295 2HB ALA 37 HB2 ALA 37 -1.008 11.290 0.913 296 3HB ALA 37 HB3 ALA 37 0.498 10.558 1.467 297 H ALA 38 HN ALA 38 0.389 9.591 4.383 298 HA ALA 38 HA ALA 38 1.924 11.399 6.060 299 1HB ALA 38 HB1 ALA 38 0.624 9.672 7.162 300 2HB ALA 38 HB2 ALA 38 2.342 9.416 7.445 301 3HB ALA 38 HB3 ALA 38 1.475 8.414 6.273 302 H GLY 39 HN GLY 39 2.602 10.369 3.134 303 1HA GLY 39 HA2 GLY 39 4.667 10.390 2.074 304 2HA GLY 39 HA1 GLY 39 5.428 10.373 3.657 305 H LYS 40 HN LYS 40 3.334 7.913 3.834 306 HA LYS 40 HA LYS 40 5.465 6.017 3.135 307 1HB LYS 40 HB2 LYS 40 3.162 5.630 5.062 308 2HB LYS 40 HB1 LYS 40 4.536 4.551 4.831 309 1HG LYS 40 HG2 LYS 40 4.638 7.362 5.917 310 2HG LYS 40 HG1 LYS 40 4.776 5.861 6.854 311 1HD LYS 40 HD2 LYS 40 6.827 5.305 5.617 312 2HD LYS 40 HD1 LYS 40 6.676 6.807 4.707 313 1HE LYS 40 HE2 LYS 40 6.814 8.065 6.815 314 2HE LYS 40 HE1 LYS 40 7.076 6.549 7.684 315 1HZ LYS 40 HZ1 LYS 40 9.048 6.207 6.248 316 2HZ LYS 40 HZ2 LYS 40 9.172 7.534 7.287 317 3HZ LYS 40 HZ3 LYS 40 8.850 7.782 5.641 318 H SER 41 HN SER 41 5.085 5.138 1.216 319 HA SER 41 HA SER 41 2.461 3.884 0.768 320 1HB SER 41 HB2 SER 41 2.777 5.707 -0.821 321 2HB SER 41 HB1 SER 41 4.327 5.032 -1.317 322 HG SER 41 HG SER 41 2.419 4.536 -2.666 323 H GLY 42 HN GLY 42 2.490 1.803 -0.174 324 1HA GLY 42 HA2 GLY 42 4.619 0.353 -1.123 325 2HA GLY 42 HA1 GLY 42 4.723 0.199 0.607 326 H LEU 43 HN LEU 43 4.416 -2.118 0.087 327 HA LEU 43 HA LEU 43 1.900 -2.997 -0.933 328 1HB LEU 43 HB2 LEU 43 4.226 -4.342 0.390 329 2HB LEU 43 HB1 LEU 43 2.730 -5.214 0.190 330 HG LEU 43 HG LEU 43 4.260 -5.750 -1.603 331 1HD1 LEU 43 HD11 LEU 43 1.941 -4.067 -2.554 332 2HD1 LEU 43 HD12 LEU 43 1.886 -5.770 -2.086 333 3HD1 LEU 43 HD13 LEU 43 2.812 -5.279 -3.503 334 1HD2 LEU 43 HD21 LEU 43 5.573 -3.719 -1.680 335 2HD2 LEU 43 HD22 LEU 43 4.184 -2.804 -2.265 336 3HD2 LEU 43 HD23 LEU 43 4.906 -4.060 -3.273 337 H LYS 44 HN LYS 44 0.654 -4.707 0.489 338 HA LYS 44 HA LYS 44 -0.753 -3.246 2.398 339 1HB LYS 44 HB2 LYS 44 -1.734 -5.116 1.168 340 2HB LYS 44 HB1 LYS 44 -0.634 -6.246 1.946 341 1HG LYS 44 HG2 LYS 44 -1.673 -5.549 4.138 342 2HG LYS 44 HG1 LYS 44 -2.926 -4.732 3.182 343 1HD LYS 44 HD2 LYS 44 -2.222 -7.660 3.024 344 2HD LYS 44 HD1 LYS 44 -3.606 -6.974 3.861 345 1HE LYS 44 HE2 LYS 44 -3.138 -6.512 0.936 346 2HE LYS 44 HE1 LYS 44 -4.016 -7.926 1.519 347 1HZ LYS 44 HZ1 LYS 44 -4.763 -5.108 2.147 348 2HZ LYS 44 HZ2 LYS 44 -5.650 -6.511 2.501 349 3HZ LYS 44 HZ3 LYS 44 -5.449 -6.029 0.891 350 H LYS 45 HN LYS 45 1.485 -5.952 2.821 351 HA LYS 45 HA LYS 45 1.366 -6.133 5.582 352 1HB LYS 45 HB2 LYS 45 3.536 -7.309 5.427 353 2HB LYS 45 HB1 LYS 45 2.363 -7.896 4.268 354 1HG LYS 45 HG2 LYS 45 4.271 -7.808 2.998 355 2HG LYS 45 HG1 LYS 45 3.555 -6.227 2.643 356 1HD LYS 45 HD2 LYS 45 5.030 -5.247 4.427 357 2HD LYS 45 HD1 LYS 45 5.788 -6.827 4.596 358 1HE LYS 45 HE2 LYS 45 6.546 -6.754 2.287 359 2HE LYS 45 HE1 LYS 45 5.701 -5.222 2.053 360 1HZ LYS 45 HZ1 LYS 45 7.198 -4.112 3.514 361 2HZ LYS 45 HZ2 LYS 45 8.150 -5.035 2.458 362 3HZ LYS 45 HZ3 LYS 45 7.885 -5.574 4.037 363 H ASP 46 HN ASP 46 3.203 -3.990 3.560 364 HA ASP 46 HA ASP 46 5.096 -3.199 5.499 365 1HB ASP 46 HB2 ASP 46 5.072 -2.968 2.877 366 2HB ASP 46 HB1 ASP 46 4.333 -1.398 3.231 367 H CYS 47 HN CYS 47 2.030 -1.937 4.413 368 HA CYS 47 HA CYS 47 2.120 0.431 5.976 369 1HB CYS 47 HB2 CYS 47 -0.196 -0.960 4.617 370 2HB CYS 47 HB1 CYS 47 -0.218 0.682 5.262 371 HG CYS 47 HG CYS 47 1.351 -0.504 2.471 372 H LEU 48 HN LEU 48 0.612 -2.734 6.278 373 HA LEU 48 HA LEU 48 -0.846 -2.343 8.610 374 1HB LEU 48 HB2 LEU 48 0.599 -4.852 7.744 375 2HB LEU 48 HB1 LEU 48 -0.693 -4.755 8.931 376 HG LEU 48 HG LEU 48 -0.967 -4.111 5.996 377 1HD1 LEU 48 HD11 LEU 48 -1.904 -6.466 7.641 378 2HD1 LEU 48 HD12 LEU 48 -0.696 -6.488 6.354 379 3HD1 LEU 48 HD13 LEU 48 -2.385 -6.135 5.967 380 1HD2 LEU 48 HD21 LEU 48 -3.040 -4.186 8.201 381 2HD2 LEU 48 HD22 LEU 48 -3.371 -3.971 6.485 382 3HD2 LEU 48 HD23 LEU 48 -2.461 -2.752 7.367 383 H ALA 49 HN ALA 49 2.452 -3.514 8.192 384 HA ALA 49 HA ALA 49 3.200 -3.759 10.848 385 1HB ALA 49 HB1 ALA 49 5.494 -3.607 10.071 386 2HB ALA 49 HB2 ALA 49 4.947 -2.923 8.538 387 3HB ALA 49 HB3 ALA 49 4.537 -4.578 8.973 388 H TYR 50 HN TYR 50 3.261 -0.942 8.727 389 HA TYR 50 HA TYR 50 4.513 0.819 10.499 390 1HB TYR 50 HB2 TYR 50 4.238 1.185 8.036 391 2HB TYR 50 HB1 TYR 50 2.545 1.574 8.338 392 HD1 TYR 50 HD1 TYR 50 6.013 2.650 9.131 393 HD2 TYR 50 HD2 TYR 50 1.918 3.760 8.983 394 HE1 TYR 50 HE1 TYR 50 6.630 4.988 9.565 395 HE2 TYR 50 HE2 TYR 50 2.524 6.109 9.383 396 HH TYR 50 HH TYR 50 4.363 7.399 10.337 397 H ILE 51 HN ILE 51 1.107 -0.014 10.049 398 HA ILE 51 HA ILE 51 0.138 2.081 11.756 399 HB ILE 51 HB ILE 51 -1.335 -0.481 11.114 400 1HG1 ILE 51 HG12 ILE 51 -0.641 0.445 8.984 401 2HG1 ILE 51 HG11 ILE 51 -2.351 0.792 9.218 402 1HG2 ILE 51 HG21 ILE 51 -2.275 2.288 11.856 403 2HG2 ILE 51 HG22 ILE 51 -2.346 0.837 12.852 404 3HG2 ILE 51 HG23 ILE 51 -3.329 0.949 11.399 405 1HD1 ILE 51 HD11 ILE 51 -0.057 2.716 9.639 406 2HD1 ILE 51 HD12 ILE 51 -1.766 3.081 9.857 407 3HD1 ILE 51 HD13 ILE 51 -1.145 2.679 8.242 408 H GLU 52 HN GLU 52 1.016 -1.261 12.166 409 HA GLU 52 HA GLU 52 0.271 -1.651 14.808 410 1HB GLU 52 HB2 GLU 52 1.024 -3.405 13.266 411 2HB GLU 52 HB1 GLU 52 2.672 -2.781 13.375 412 1HG GLU 52 HG2 GLU 52 2.724 -3.314 15.741 413 2HG GLU 52 HG1 GLU 52 1.072 -3.896 15.666 414 H GLU 53 HN GLU 53 3.157 -0.127 13.484 415 HA GLU 53 HA GLU 53 4.852 -0.060 15.576 416 1HB GLU 53 HB2 GLU 53 4.332 2.307 13.770 417 2HB GLU 53 HB1 GLU 53 5.751 2.094 14.785 418 1HG GLU 53 HG2 GLU 53 4.916 0.240 12.594 419 2HG GLU 53 HG1 GLU 53 6.110 1.528 12.418 420 H VAL 54 HN VAL 54 2.512 3.002 16.989 421 HA VAL 54 HA VAL 54 2.226 2.098 14.224 422 HB VAL 54 HB VAL 54 0.157 2.669 15.270 423 1HG1 VAL 54 HG11 VAL 54 1.409 5.344 15.913 424 2HG1 VAL 54 HG12 VAL 54 1.001 4.073 17.073 425 3HG1 VAL 54 HG13 VAL 54 -0.284 4.919 16.201 426 1HG2 VAL 54 HG21 VAL 54 0.988 4.903 13.427 427 2HG2 VAL 54 HG22 VAL 54 -0.680 4.463 13.824 428 3HG2 VAL 54 HG23 VAL 54 0.350 3.330 12.953 429 H TRP 55 HN TRP 55 3.360 4.846 16.105 430 HA TRP 55 HA TRP 55 5.535 5.213 14.344 431 1HB TRP 55 HB2 TRP 55 3.792 6.590 13.219 432 2HB TRP 55 HB1 TRP 55 3.546 7.488 14.703 433 HD1 TRP 55 HD1 TRP 55 6.671 6.637 12.540 434 HE1 TRP 55 HE1 TRP 55 8.058 8.782 12.277 435 HE3 TRP 55 HE3 TRP 55 3.718 9.846 15.216 436 HZ2 TRP 55 HZ2 TRP 55 7.920 11.483 13.084 437 HZ3 TRP 55 HZ3 TRP 55 4.422 12.196 15.409 438 HH2 TRP 55 HH2 TRP 55 6.458 12.994 14.375 439 H THR 56 HN THR 56 4.616 4.486 17.098 440 HA THR 56 HA THR 56 6.048 5.713 19.004 441 HB THR 56 HB THR 56 5.130 7.909 18.204 442 HG1 THR 56 HG1 THR 56 4.388 8.557 20.390 443 1HG2 THR 56 HG21 THR 56 2.496 6.811 19.210 444 2HG2 THR 56 HG22 THR 56 2.898 7.141 17.516 445 3HG2 THR 56 HG23 THR 56 2.781 8.471 18.690 446 H ASP 57 HN ASP 57 4.086 6.162 21.048 447 HA ASP 57 HA ASP 57 2.640 5.138 22.455 448 1HB ASP 57 HB2 ASP 57 1.092 4.751 20.597 449 2HB ASP 57 HB1 ASP 57 1.975 3.287 20.161 450 H MET 58 HN MET 58 3.824 2.379 20.531 451 HA MET 58 HA MET 58 5.115 1.418 22.981 452 1HB MET 58 HB2 MET 58 5.186 -0.817 21.874 453 2HB MET 58 HB1 MET 58 3.564 -0.229 22.168 454 1HG MET 58 HG2 MET 58 3.412 0.432 19.820 455 2HG MET 58 HG1 MET 58 5.022 -0.224 19.544 456 1HE MET 58 HE1 MET 58 1.312 -1.037 20.589 457 2HE MET 58 HE2 MET 58 2.259 -1.745 21.913 458 3HE MET 58 HE3 MET 58 1.394 -2.795 20.793 459 H ARG 59 HN ARG 59 6.916 2.600 22.915 460 HA ARG 59 HA ARG 59 8.505 2.965 20.622 461 1HB ARG 59 HB2 ARG 59 8.534 4.383 22.720 462 2HB ARG 59 HB1 ARG 59 9.441 3.083 23.479 463 1HG ARG 59 HG2 ARG 59 11.290 3.407 22.040 464 2HG ARG 59 HG1 ARG 59 10.341 4.451 20.973 465 1HD ARG 59 HD2 ARG 59 11.119 5.060 23.827 466 2HD ARG 59 HD1 ARG 59 11.850 5.766 22.387 467 HE ARG 59 HE ARG 59 9.143 6.282 22.217 468 1HH1 ARG 59 HH11 ARG 59 11.748 7.066 24.433 469 2HH1 ARG 59 HH12 ARG 59 11.036 8.564 24.935 470 1HH2 ARG 59 HH21 ARG 59 8.185 8.214 22.901 471 2HH2 ARG 59 HH22 ARG 59 8.996 9.243 24.049 472 HA PRO 60 HA PRO 60 10.801 -1.011 22.029 473 1HB PRO 60 HB2 PRO 60 9.175 -2.261 24.109 474 2HB PRO 60 HB1 PRO 60 10.884 -1.816 24.140 475 1HG PRO 60 HG2 PRO 60 8.983 -0.566 25.643 476 2HG PRO 60 HG1 PRO 60 10.464 0.234 25.058 477 1HD PRO 60 HD2 PRO 60 7.692 0.335 23.947 478 2HD PRO 60 HD1 PRO 60 8.855 1.659 24.172 479 H LEU 61 HN LEU 61 10.122 -1.885 20.141 480 HA LEU 61 HA LEU 61 7.445 -2.506 19.512 481 1HB LEU 61 HB2 LEU 61 9.175 -1.946 17.856 482 2HB LEU 61 HB1 LEU 61 9.984 -3.472 18.201 483 HG LEU 61 HG LEU 61 7.948 -4.661 17.370 484 1HD1 LEU 61 HD11 LEU 61 6.283 -3.421 16.103 485 2HD1 LEU 61 HD12 LEU 61 7.073 -1.904 16.544 486 3HD1 LEU 61 HD13 LEU 61 6.319 -2.884 17.789 487 1HD2 LEU 61 HD21 LEU 61 9.303 -2.733 15.487 488 2HD2 LEU 61 HD22 LEU 61 8.374 -4.154 15.005 489 3HD2 LEU 61 HD23 LEU 61 9.870 -4.334 15.923 490 H SER 62 HN SER 62 9.857 -4.242 21.219 491 HA SER 62 HA SER 62 8.949 -6.876 20.672 492 1HB SER 62 HB2 SER 62 11.234 -6.332 21.563 493 2HB SER 62 HB1 SER 62 10.478 -5.893 23.088 494 HG SER 62 HG SER 62 9.530 -8.213 22.730 495 H LEU 63 HN LEU 63 7.398 -4.418 22.209 496 HA LEU 63 HA LEU 63 6.288 -5.698 24.460 497 1HB LEU 63 HB2 LEU 63 6.187 -3.317 24.222 498 2HB LEU 63 HB1 LEU 63 5.260 -3.441 22.748 499 HG LEU 63 HG LEU 63 3.390 -4.423 24.023 500 1HD1 LEU 63 HD11 LEU 63 3.417 -4.219 26.492 501 2HD1 LEU 63 HD12 LEU 63 5.116 -3.736 26.409 502 3HD1 LEU 63 HD13 LEU 63 4.636 -5.358 25.899 503 1HD2 LEU 63 HD21 LEU 63 2.708 -2.327 25.110 504 2HD2 LEU 63 HD22 LEU 63 3.434 -2.039 23.531 505 3HD2 LEU 63 HD23 LEU 63 4.362 -1.737 25.001 506 H ARG 64 HN ARG 64 5.020 -5.316 21.147 507 HA ARG 64 HA ARG 64 2.813 -7.066 21.720 508 1HB ARG 64 HB2 ARG 64 2.202 -6.731 19.344 509 2HB ARG 64 HB1 ARG 64 2.398 -5.229 20.222 510 1HG ARG 64 HG2 ARG 64 3.361 -4.830 18.133 511 2HG ARG 64 HG1 ARG 64 4.736 -5.130 19.205 512 1HD ARG 64 HD2 ARG 64 4.994 -7.348 18.364 513 2HD ARG 64 HD1 ARG 64 3.473 -7.265 17.475 514 HE ARG 64 HE ARG 64 4.681 -5.349 16.230 515 1HH1 ARG 64 HH11 ARG 64 6.084 -8.378 17.289 516 2HH1 ARG 64 HH12 ARG 64 7.349 -8.365 16.084 517 1HH2 ARG 64 HH21 ARG 64 6.319 -5.355 14.626 518 2HH2 ARG 64 HH22 ARG 64 7.469 -6.652 14.589 519 H GLN 65 HN GLN 65 6.014 -7.394 20.874 520 HA GLN 65 HA GLN 65 5.748 -9.850 19.376 521 1HB GLN 65 HB2 GLN 65 7.583 -7.997 19.164 522 2HB GLN 65 HB1 GLN 65 8.325 -8.852 20.511 523 1HG GLN 65 HG2 GLN 65 8.596 -10.821 19.240 524 2HG GLN 65 HG1 GLN 65 7.530 -10.237 17.964 525 1HE2 GLN 65 HE21 GLN 65 10.237 -11.197 17.740 526 2HE2 GLN 65 HE22 GLN 65 11.169 -9.872 17.081 527 H HIS 66 HN HIS 66 4.597 -11.070 20.883 528 HA HIS 66 HA HIS 66 5.489 -11.305 23.602 529 1HB HIS 66 HB2 HIS 66 3.537 -12.964 23.750 530 2HB HIS 66 HB1 HIS 66 3.168 -11.282 23.380 531 HD1 HIS 66 HD1 HIS 66 2.018 -10.767 21.210 532 HD2 HIS 66 HD2 HIS 66 3.152 -14.752 21.578 533 HE1 HIS 66 HE1 HIS 66 0.940 -11.957 19.264 534 HE2 HIS 66 HE2 HIS 66 1.584 -14.389 19.537 535 H MET 67 HN MET 67 5.809 -13.187 20.716 536 HA MET 67 HA MET 67 6.496 -15.623 22.056 537 1HB MET 67 HB2 MET 67 6.954 -14.721 19.186 538 2HB MET 67 HB1 MET 67 7.355 -16.344 19.808 539 1HG MET 67 HG2 MET 67 5.013 -16.759 20.302 540 2HG MET 67 HG1 MET 67 4.598 -15.122 19.815 541 1HE MET 67 HE1 MET 67 5.837 -18.624 18.658 542 2HE MET 67 HE2 MET 67 7.157 -17.594 18.081 543 3HE MET 67 HE3 MET 67 6.082 -18.391 16.925 544 H ASP 68 HN ASP 68 8.281 -12.915 20.673 545 HA ASP 68 HA ASP 68 10.830 -14.114 21.372 546 1HB ASP 68 HB2 ASP 68 10.112 -11.506 20.002 547 2HB ASP 68 HB1 ASP 68 11.764 -11.916 20.456 548 H LYS 69 HN LYS 69 11.340 -14.059 23.435 549 HA LYS 69 HA LYS 69 11.157 -11.458 24.836 550 1HB LYS 69 HB2 LYS 69 10.922 -14.216 26.048 551 2HB LYS 69 HB1 LYS 69 10.966 -12.712 26.952 552 1HG LYS 69 HG2 LYS 69 8.888 -12.025 25.777 553 2HG LYS 69 HG1 LYS 69 8.821 -13.652 25.073 554 1HD LYS 69 HD2 LYS 69 8.782 -14.582 27.362 555 2HD LYS 69 HD1 LYS 69 8.762 -12.950 28.015 556 1HE LYS 69 HE2 LYS 69 6.672 -14.151 26.214 557 2HE LYS 69 HE1 LYS 69 6.519 -13.937 27.945 558 1HZ LYS 69 HZ1 LYS 69 6.806 -11.783 25.919 559 2HZ LYS 69 HZ2 LYS 69 6.745 -11.519 27.601 560 3HZ LYS 69 HZ3 LYS 69 5.402 -12.179 26.791 561 H ALA 70 HN ALA 70 13.110 -10.659 24.769 562 HA ALA 70 HA ALA 70 15.412 -12.103 24.191 563 1HB ALA 70 HB1 ALA 70 15.105 -9.708 23.690 564 2HB ALA 70 HB2 ALA 70 16.623 -10.028 24.554 565 3HB ALA 70 HB3 ALA 70 15.231 -9.353 25.404 566 H ALA 71 HN ALA 71 16.250 -13.578 25.426 567 HA ALA 71 HA ALA 71 16.824 -12.957 28.255 568 1HB ALA 71 HB1 ALA 71 15.591 -15.050 27.879 569 2HB ALA 71 HB2 ALA 71 17.193 -15.348 28.553 570 3HB ALA 71 HB3 ALA 71 16.894 -15.633 26.833 571 H GLY 72 HN GLY 72 18.104 -13.749 25.134 572 1HA GLY 72 HA2 GLY 72 20.725 -12.820 25.941 573 2HA GLY 72 HA1 GLY 72 20.646 -14.462 25.312 Start of MODEL 16 1 1H MET 1 HT1 MET 1 2.936 -8.995 14.623 2 2H MET 1 HT2 MET 1 1.593 -8.014 14.988 3 3H MET 1 HT3 MET 1 2.838 -7.422 13.991 4 HA MET 1 HA MET 1 1.000 -9.655 13.371 5 1HB MET 1 HB2 MET 1 -0.130 -7.519 13.260 6 2HB MET 1 HB1 MET 1 1.190 -6.803 12.346 7 1HG MET 1 HG2 MET 1 0.682 -8.160 10.456 8 2HG MET 1 HG1 MET 1 -0.563 -9.041 11.367 9 1HE MET 1 HE1 MET 1 -0.947 -4.528 10.349 10 2HE MET 1 HE2 MET 1 0.520 -5.467 10.046 11 3HE MET 1 HE3 MET 1 0.000 -5.137 11.703 12 H THR 2 HN THR 2 1.326 -10.601 11.280 13 HA THR 2 HA THR 2 4.106 -10.273 10.351 14 HB THR 2 HB THR 2 2.306 -12.639 9.891 15 HG1 THR 2 HG1 THR 2 2.642 -12.439 12.111 16 1HG2 THR 2 HG21 THR 2 5.305 -12.282 9.720 17 2HG2 THR 2 HG22 THR 2 4.191 -12.470 8.357 18 3HG2 THR 2 HG23 THR 2 4.448 -13.800 9.480 19 H SER 3 HN SER 3 4.275 -9.119 8.543 20 HA SER 3 HA SER 3 2.022 -8.910 6.715 21 1HB SER 3 HB2 SER 3 3.540 -7.276 5.522 22 2HB SER 3 HB1 SER 3 3.124 -6.844 7.180 23 HG SER 3 HG SER 3 5.262 -8.119 7.573 24 H VAL 4 HN VAL 4 1.856 -10.885 5.715 25 HA VAL 4 HA VAL 4 4.243 -12.126 4.616 26 HB VAL 4 HB VAL 4 1.401 -13.177 4.618 27 1HG1 VAL 4 HG11 VAL 4 2.840 -14.277 3.006 28 2HG1 VAL 4 HG12 VAL 4 2.463 -15.363 4.342 29 3HG1 VAL 4 HG13 VAL 4 4.043 -14.579 4.268 30 1HG2 VAL 4 HG21 VAL 4 2.015 -14.479 6.596 31 2HG2 VAL 4 HG22 VAL 4 2.148 -12.742 6.907 32 3HG2 VAL 4 HG23 VAL 4 3.592 -13.701 6.619 33 H PHE 5 HN PHE 5 1.532 -10.316 3.553 34 HA PHE 5 HA PHE 5 0.737 -9.673 1.522 35 1HB PHE 5 HB2 PHE 5 2.960 -9.296 0.693 36 2HB PHE 5 HB1 PHE 5 3.226 -11.030 0.446 37 HD1 PHE 5 HD1 PHE 5 0.919 -8.304 -0.619 38 HD2 PHE 5 HD2 PHE 5 2.967 -11.884 -1.675 39 HE1 PHE 5 HE1 PHE 5 0.081 -8.090 -2.935 40 HE2 PHE 5 HE2 PHE 5 2.139 -11.668 -3.986 41 HZ PHE 5 HZ PHE 5 0.713 -9.785 -4.619 42 H ASP 6 HN ASP 6 -1.085 -10.556 0.926 43 HA ASP 6 HA ASP 6 -1.479 -13.366 1.249 44 1HB ASP 6 HB2 ASP 6 -3.476 -11.414 0.149 45 2HB ASP 6 HB1 ASP 6 -3.796 -12.934 0.934 46 H ARG 7 HN ARG 7 -2.658 -11.481 -1.553 47 HA ARG 7 HA ARG 7 -1.240 -13.186 -3.407 48 1HB ARG 7 HB2 ARG 7 -3.169 -14.244 -4.411 49 2HB ARG 7 HB1 ARG 7 -3.125 -14.646 -2.706 50 1HG ARG 7 HG2 ARG 7 -4.877 -13.100 -2.227 51 2HG ARG 7 HG1 ARG 7 -4.832 -12.455 -3.876 52 1HD ARG 7 HD2 ARG 7 -5.408 -14.818 -4.624 53 2HD ARG 7 HD1 ARG 7 -5.785 -15.139 -2.923 54 HE ARG 7 HE ARG 7 -7.077 -12.795 -3.946 55 1HH1 ARG 7 HH11 ARG 7 -7.362 -16.295 -3.696 56 2HH1 ARG 7 HH12 ARG 7 -9.101 -16.265 -3.918 57 1HH2 ARG 7 HH21 ARG 7 -9.288 -12.761 -4.267 58 2HH2 ARG 7 HH22 ARG 7 -10.191 -14.261 -4.247 59 H ASP 8 HN ASP 8 -3.420 -10.556 -2.743 60 HA ASP 8 HA ASP 8 -3.671 -9.900 -5.569 61 1HB ASP 8 HB2 ASP 8 -5.712 -9.807 -4.210 62 2HB ASP 8 HB1 ASP 8 -4.959 -8.644 -3.124 63 H ASP 9 HN ASP 9 -2.803 -8.147 -6.517 64 HA ASP 9 HA ASP 9 -0.496 -6.976 -5.268 65 1HB ASP 9 HB2 ASP 9 -0.561 -7.696 -7.656 66 2HB ASP 9 HB1 ASP 9 -1.731 -6.414 -7.965 67 H ILE 10 HN ILE 10 -2.574 -6.213 -3.759 68 HA ILE 10 HA ILE 10 -3.517 -3.617 -4.611 69 HB ILE 10 HB ILE 10 -5.031 -5.075 -3.372 70 1HG1 ILE 10 HG12 ILE 10 -5.723 -3.437 -1.590 71 2HG1 ILE 10 HG11 ILE 10 -4.236 -2.550 -1.923 72 1HG2 ILE 10 HG21 ILE 10 -4.714 -5.531 -0.990 73 2HG2 ILE 10 HG22 ILE 10 -3.123 -4.780 -1.056 74 3HG2 ILE 10 HG23 ILE 10 -3.435 -6.252 -1.968 75 1HD1 ILE 10 HD11 ILE 10 -4.973 -2.228 -4.249 76 2HD1 ILE 10 HD12 ILE 10 -6.091 -1.527 -3.070 77 3HD1 ILE 10 HD13 ILE 10 -6.490 -3.048 -3.863 78 H GLN 11 HN GLN 11 -2.561 -1.762 -4.245 79 HA GLN 11 HA GLN 11 -0.308 -1.692 -2.379 80 1HB GLN 11 HB2 GLN 11 -0.988 -0.039 -4.805 81 2HB GLN 11 HB1 GLN 11 0.316 0.416 -3.702 82 1HG GLN 11 HG2 GLN 11 1.448 -1.656 -4.161 83 2HG GLN 11 HG1 GLN 11 0.127 -2.179 -5.213 84 1HE2 GLN 11 HE21 GLN 11 -0.086 -1.245 -7.232 85 2HE2 GLN 11 HE22 GLN 11 1.170 -0.277 -7.951 86 H PHE 12 HN PHE 12 -0.268 -0.320 -0.679 87 HA PHE 12 HA PHE 12 -2.585 1.446 -0.328 88 1HB PHE 12 HB2 PHE 12 -1.367 -0.537 1.564 89 2HB PHE 12 HB1 PHE 12 -2.216 0.872 2.184 90 HD1 PHE 12 HD1 PHE 12 -4.638 1.206 1.326 91 HD2 PHE 12 HD2 PHE 12 -2.520 -2.462 1.090 92 HE1 PHE 12 HE1 PHE 12 -6.775 -0.007 1.152 93 HE2 PHE 12 HE2 PHE 12 -4.646 -3.677 0.924 94 HZ PHE 12 HZ PHE 12 -6.785 -2.454 0.953 95 H GLN 13 HN GLN 13 -2.286 3.084 1.253 96 HA GLN 13 HA GLN 13 0.463 3.790 1.938 97 1HB GLN 13 HB2 GLN 13 0.075 6.148 1.301 98 2HB GLN 13 HB1 GLN 13 -0.009 5.090 -0.102 99 1HG GLN 13 HG2 GLN 13 -2.459 5.151 0.022 100 2HG GLN 13 HG1 GLN 13 -2.351 6.249 1.396 101 1HE2 GLN 13 HE21 GLN 13 -3.434 7.907 0.329 102 2HE2 GLN 13 HE22 GLN 13 -2.703 8.806 -0.963 103 H VAL 14 HN VAL 14 0.552 5.106 3.830 104 HA VAL 14 HA VAL 14 -1.769 4.620 5.536 105 HB VAL 14 HB VAL 14 0.946 5.711 6.302 106 1HG1 VAL 14 HG11 VAL 14 0.255 5.088 8.581 107 2HG1 VAL 14 HG12 VAL 14 -1.336 4.647 7.956 108 3HG1 VAL 14 HG13 VAL 14 -0.790 6.315 7.863 109 1HG2 VAL 14 HG21 VAL 14 1.145 3.424 5.425 110 2HG2 VAL 14 HG22 VAL 14 -0.138 2.887 6.515 111 3HG2 VAL 14 HG23 VAL 14 1.396 3.447 7.172 112 H VAL 15 HN VAL 15 -3.199 6.222 5.894 113 HA VAL 15 HA VAL 15 -2.289 8.960 5.368 114 HB VAL 15 HB VAL 15 -4.692 9.492 4.844 115 1HG1 VAL 15 HG11 VAL 15 -3.331 7.450 3.107 116 2HG1 VAL 15 HG12 VAL 15 -3.034 9.189 3.105 117 3HG1 VAL 15 HG13 VAL 15 -4.603 8.567 2.603 118 1HG2 VAL 15 HG21 VAL 15 -4.954 6.473 4.810 119 2HG2 VAL 15 HG22 VAL 15 -6.166 7.630 4.251 120 3HG2 VAL 15 HG23 VAL 15 -5.726 7.576 5.958 121 H VAL 16 HN VAL 16 -2.999 10.601 6.695 122 HA VAL 16 HA VAL 16 -4.355 9.796 9.182 123 HB VAL 16 HB VAL 16 -1.895 9.987 9.581 124 1HG1 VAL 16 HG11 VAL 16 -0.832 12.200 9.558 125 2HG1 VAL 16 HG12 VAL 16 -2.283 12.881 8.794 126 3HG1 VAL 16 HG13 VAL 16 -1.322 11.667 7.949 127 1HG2 VAL 16 HG21 VAL 16 -3.430 10.405 11.398 128 2HG2 VAL 16 HG22 VAL 16 -3.555 12.102 10.908 129 3HG2 VAL 16 HG23 VAL 16 -2.023 11.476 11.501 130 H ASN 17 HN ASN 17 -5.846 11.237 9.869 131 HA ASN 17 HA ASN 17 -6.592 13.384 8.076 132 1HB ASN 17 HB2 ASN 17 -8.174 11.677 9.281 133 2HB ASN 17 HB1 ASN 17 -7.982 12.722 10.673 134 1HD2 ASN 17 HD21 ASN 17 -10.313 12.043 8.949 135 2HD2 ASN 17 HD22 ASN 17 -10.938 13.557 8.403 136 H HIS 18 HN HIS 18 -7.416 15.495 9.316 137 HA HIS 18 HA HIS 18 -5.131 16.659 10.592 138 1HB HIS 18 HB2 HIS 18 -7.975 17.682 10.328 139 2HB HIS 18 HB1 HIS 18 -6.614 18.622 10.923 140 HD1 HIS 18 HD1 HIS 18 -8.523 18.256 7.990 141 HD2 HIS 18 HD2 HIS 18 -4.447 18.554 8.741 142 HE1 HIS 18 HE1 HIS 18 -7.484 18.985 5.845 143 HE2 HIS 18 HE2 HIS 18 -5.050 19.364 6.367 144 H GLU 19 HN GLU 19 -7.429 14.552 11.677 145 HA GLU 19 HA GLU 19 -7.481 15.536 14.433 146 1HB GLU 19 HB2 GLU 19 -8.865 13.164 13.139 147 2HB GLU 19 HB1 GLU 19 -9.095 13.681 14.814 148 1HG GLU 19 HG2 GLU 19 -10.222 15.621 14.172 149 2HG GLU 19 HG1 GLU 19 -9.658 15.513 12.504 150 H GLU 20 HN GLU 20 -5.370 14.159 12.599 151 HA GLU 20 HA GLU 20 -3.658 12.753 12.719 152 1HB GLU 20 HB2 GLU 20 -4.048 13.457 15.605 153 2HB GLU 20 HB1 GLU 20 -2.662 12.546 15.031 154 1HG GLU 20 HG2 GLU 20 -1.999 14.386 13.599 155 2HG GLU 20 HG1 GLU 20 -3.453 15.292 14.042 156 H GLN 21 HN GLN 21 -6.308 11.536 12.807 157 HA GLN 21 HA GLN 21 -5.703 8.977 14.076 158 1HB GLN 21 HB2 GLN 21 -7.960 8.308 13.258 159 2HB GLN 21 HB1 GLN 21 -7.992 9.691 14.352 160 1HG GLN 21 HG2 GLN 21 -8.228 11.190 12.461 161 2HG GLN 21 HG1 GLN 21 -8.133 9.834 11.351 162 1HE2 GLN 21 HE21 GLN 21 -10.083 11.462 13.728 163 2HE2 GLN 21 HE22 GLN 21 -11.579 10.684 13.331 164 H TYR 22 HN TYR 22 -5.250 7.123 12.959 165 HA TYR 22 HA TYR 22 -4.253 7.620 10.244 166 1HB TYR 22 HB2 TYR 22 -3.653 5.303 12.127 167 2HB TYR 22 HB1 TYR 22 -2.856 5.645 10.594 168 HD1 TYR 22 HD1 TYR 22 -1.300 7.555 10.392 169 HD2 TYR 22 HD2 TYR 22 -3.058 6.486 14.110 170 HE1 TYR 22 HE1 TYR 22 0.412 8.893 11.581 171 HE2 TYR 22 HE2 TYR 22 -1.398 7.835 15.296 172 HH TYR 22 HH TYR 22 0.861 8.694 14.971 173 H SER 23 HN SER 23 -4.679 6.239 8.560 174 HA SER 23 HA SER 23 -6.248 3.824 8.945 175 1HB SER 23 HB2 SER 23 -7.227 6.088 7.185 176 2HB SER 23 HB1 SER 23 -7.940 4.456 7.247 177 HG SER 23 HG SER 23 -7.682 5.553 9.722 178 H ILE 24 HN ILE 24 -6.523 2.734 6.664 179 HA ILE 24 HA ILE 24 -4.082 3.321 5.132 180 HB ILE 24 HB ILE 24 -4.119 0.967 4.338 181 1HG1 ILE 24 HG12 ILE 24 -6.215 0.552 6.500 182 2HG1 ILE 24 HG11 ILE 24 -6.535 0.537 4.765 183 1HG2 ILE 24 HG21 ILE 24 -2.655 1.637 6.173 184 2HG2 ILE 24 HG22 ILE 24 -3.240 -0.020 6.410 185 3HG2 ILE 24 HG23 ILE 24 -3.942 1.313 7.331 186 1HD1 ILE 24 HD11 ILE 24 -6.382 -1.700 5.688 187 2HD1 ILE 24 HD12 ILE 24 -4.734 -1.376 6.225 188 3HD1 ILE 24 HD13 ILE 24 -5.108 -1.397 4.487 189 H TRP 25 HN TRP 25 -4.259 3.788 3.070 190 HA TRP 25 HA TRP 25 -6.889 3.502 1.767 191 1HB TRP 25 HB2 TRP 25 -6.343 5.834 2.732 192 2HB TRP 25 HB1 TRP 25 -5.110 5.916 1.479 193 HD1 TRP 25 HD1 TRP 25 -5.928 6.318 -1.031 194 HE1 TRP 25 HE1 TRP 25 -8.175 7.114 -2.001 195 HE3 TRP 25 HE3 TRP 25 -8.887 5.657 3.095 196 HZ2 TRP 25 HZ2 TRP 25 -10.827 7.448 -1.128 197 HZ3 TRP 25 HZ3 TRP 25 -11.268 6.236 2.935 198 HH2 TRP 25 HH2 TRP 25 -12.227 7.123 0.867 199 HA PRO 26 HA PRO 26 -4.386 1.643 -1.425 200 1HB PRO 26 HB2 PRO 26 -6.422 2.640 -3.315 201 2HB PRO 26 HB1 PRO 26 -5.869 0.993 -3.014 202 1HG PRO 26 HG2 PRO 26 -8.281 1.852 -2.174 203 2HG PRO 26 HG1 PRO 26 -7.334 0.663 -1.275 204 1HD PRO 26 HD2 PRO 26 -7.753 3.571 -0.723 205 2HD PRO 26 HD1 PRO 26 -7.562 2.206 0.431 206 H GLU 27 HN GLU 27 -2.781 2.390 -2.759 207 HA GLU 27 HA GLU 27 -2.140 5.111 -2.530 208 1HB GLU 27 HB2 GLU 27 -0.460 3.307 -2.696 209 2HB GLU 27 HB1 GLU 27 -0.935 3.047 -4.372 210 1HG GLU 27 HG2 GLU 27 -0.296 5.420 -4.829 211 2HG GLU 27 HG1 GLU 27 0.372 5.481 -3.195 212 H TYR 28 HN TYR 28 -3.231 3.168 -5.267 213 HA TYR 28 HA TYR 28 -3.136 5.225 -7.187 214 1HB TYR 28 HB2 TYR 28 -4.346 3.670 -8.606 215 2HB TYR 28 HB1 TYR 28 -3.098 2.806 -7.723 216 HD1 TYR 28 HD1 TYR 28 -6.569 2.927 -8.537 217 HD2 TYR 28 HD2 TYR 28 -3.820 1.528 -5.614 218 HE1 TYR 28 HE1 TYR 28 -8.250 1.348 -7.736 219 HE2 TYR 28 HE2 TYR 28 -5.494 -0.087 -4.808 220 HH TYR 28 HH TYR 28 -8.284 -0.826 -6.544 221 H LYS 29 HN LYS 29 -5.324 4.532 -4.705 222 HA LYS 29 HA LYS 29 -7.611 5.726 -5.991 223 1HB LYS 29 HB2 LYS 29 -7.764 3.753 -4.421 224 2HB LYS 29 HB1 LYS 29 -7.341 4.855 -3.109 225 1HG LYS 29 HG2 LYS 29 -9.345 6.112 -3.411 226 2HG LYS 29 HG1 LYS 29 -9.711 5.250 -4.913 227 1HD LYS 29 HD2 LYS 29 -9.556 4.017 -2.156 228 2HD LYS 29 HD1 LYS 29 -11.055 4.449 -2.992 229 1HE LYS 29 HE2 LYS 29 -9.023 2.448 -3.988 230 2HE LYS 29 HE1 LYS 29 -10.544 2.053 -3.186 231 1HZ LYS 29 HZ1 LYS 29 -10.730 1.858 -5.582 232 2HZ LYS 29 HZ2 LYS 29 -10.264 3.475 -5.785 233 3HZ LYS 29 HZ3 LYS 29 -11.732 3.103 -5.004 234 H GLU 30 HN GLU 30 -8.507 7.711 -5.460 235 HA GLU 30 HA GLU 30 -6.624 9.655 -4.484 236 1HB GLU 30 HB2 GLU 30 -8.030 10.154 -6.428 237 2HB GLU 30 HB1 GLU 30 -9.476 9.936 -5.448 238 1HG GLU 30 HG2 GLU 30 -8.732 11.854 -4.037 239 2HG GLU 30 HG1 GLU 30 -7.424 12.123 -5.193 240 H ILE 31 HN ILE 31 -6.577 10.584 -2.505 241 HA ILE 31 HA ILE 31 -8.387 9.635 -0.471 242 HB ILE 31 HB ILE 31 -6.988 11.033 1.060 243 1HG1 ILE 31 HG12 ILE 31 -5.288 11.432 -1.402 244 2HG1 ILE 31 HG11 ILE 31 -6.246 12.691 -0.625 245 1HG2 ILE 31 HG21 ILE 31 -5.000 9.570 0.949 246 2HG2 ILE 31 HG22 ILE 31 -5.546 9.017 -0.645 247 3HG2 ILE 31 HG23 ILE 31 -6.525 8.680 0.795 248 1HD1 ILE 31 HD11 ILE 31 -3.885 12.866 -0.042 249 2HD1 ILE 31 HD12 ILE 31 -3.920 11.207 0.588 250 3HD1 ILE 31 HD13 ILE 31 -4.857 12.481 1.381 251 HA PRO 32 HA PRO 32 -11.044 13.213 -0.524 252 1HB PRO 32 HB2 PRO 32 -11.441 12.769 2.342 253 2HB PRO 32 HB1 PRO 32 -12.623 12.662 1.021 254 1HG PRO 32 HG2 PRO 32 -11.707 10.482 2.364 255 2HG PRO 32 HG1 PRO 32 -12.176 10.428 0.655 256 1HD PRO 32 HD2 PRO 32 -9.452 10.533 1.888 257 2HD PRO 32 HD1 PRO 32 -10.011 9.647 0.463 258 H GLN 33 HN GLN 33 -11.050 15.381 0.342 259 HA GLN 33 HA GLN 33 -8.445 16.180 1.204 260 1HB GLN 33 HB2 GLN 33 -9.801 17.605 -0.310 261 2HB GLN 33 HB1 GLN 33 -10.931 17.891 1.007 262 1HG GLN 33 HG2 GLN 33 -9.340 19.082 2.241 263 2HG GLN 33 HG1 GLN 33 -8.003 18.499 1.249 264 1HE2 GLN 33 HE21 GLN 33 -11.055 19.698 0.036 265 2HE2 GLN 33 HE22 GLN 33 -10.419 21.135 -0.689 266 H GLY 34 HN GLY 34 -7.746 16.459 3.175 267 1HA GLY 34 HA2 GLY 34 -8.426 17.218 5.503 268 2HA GLY 34 HA1 GLY 34 -9.686 16.005 5.351 269 H TRP 35 HN TRP 35 -7.894 14.282 3.773 270 HA TRP 35 HA TRP 35 -6.332 13.162 5.992 271 1HB TRP 35 HB2 TRP 35 -7.433 11.910 3.465 272 2HB TRP 35 HB1 TRP 35 -6.320 11.074 4.544 273 HD1 TRP 35 HD1 TRP 35 -9.927 12.384 4.390 274 HE1 TRP 35 HE1 TRP 35 -11.329 11.171 6.178 275 HE3 TRP 35 HE3 TRP 35 -6.180 9.843 6.735 276 HZ2 TRP 35 HZ2 TRP 35 -10.881 9.380 8.325 277 HZ3 TRP 35 HZ3 TRP 35 -6.744 8.408 8.652 278 HH2 TRP 35 HH2 TRP 35 -9.044 8.179 9.416 279 H ARG 36 HN ARG 36 -4.179 12.484 5.593 280 HA ARG 36 HA ARG 36 -2.971 13.455 3.123 281 1HB ARG 36 HB2 ARG 36 -1.178 14.630 4.347 282 2HB ARG 36 HB1 ARG 36 -2.765 15.347 4.606 283 1HG ARG 36 HG2 ARG 36 -2.909 14.155 6.768 284 2HG ARG 36 HG1 ARG 36 -1.276 13.540 6.500 285 1HD ARG 36 HD2 ARG 36 -0.395 15.784 6.507 286 2HD ARG 36 HD1 ARG 36 -2.018 16.455 6.669 287 HE ARG 36 HE ARG 36 -1.042 14.642 8.742 288 1HH1 ARG 36 HH11 ARG 36 -1.799 17.898 7.734 289 2HH1 ARG 36 HH12 ARG 36 -1.846 18.532 9.363 290 1HH2 ARG 36 HH21 ARG 36 -1.117 15.431 10.859 291 2HH2 ARG 36 HH22 ARG 36 -1.502 17.114 11.153 292 H ALA 37 HN ALA 37 -0.726 12.689 2.885 293 HA ALA 37 HA ALA 37 -0.494 9.962 3.571 294 1HB ALA 37 HB1 ALA 37 1.692 10.075 2.457 295 2HB ALA 37 HB2 ALA 37 1.548 11.841 2.391 296 3HB ALA 37 HB3 ALA 37 0.423 10.821 1.499 297 H ALA 38 HN ALA 38 0.055 9.206 5.503 298 HA ALA 38 HA ALA 38 1.081 10.872 7.548 299 1HB ALA 38 HB1 ALA 38 1.069 8.858 8.928 300 2HB ALA 38 HB2 ALA 38 0.779 7.874 7.484 301 3HB ALA 38 HB3 ALA 38 -0.430 9.031 8.022 302 H GLY 39 HN GLY 39 2.489 8.059 5.839 303 1HA GLY 39 HA2 GLY 39 5.160 9.202 6.259 304 2HA GLY 39 HA1 GLY 39 4.822 7.674 7.067 305 H LYS 40 HN LYS 40 4.785 5.789 5.908 306 HA LYS 40 HA LYS 40 6.047 6.055 3.276 307 1HB LYS 40 HB2 LYS 40 7.350 4.928 5.042 308 2HB LYS 40 HB1 LYS 40 6.086 3.721 5.198 309 1HG LYS 40 HG2 LYS 40 6.572 2.794 3.092 310 2HG LYS 40 HG1 LYS 40 7.507 4.218 2.599 311 1HD LYS 40 HD2 LYS 40 8.956 2.283 3.161 312 2HD LYS 40 HD1 LYS 40 9.238 3.671 4.221 313 1HE LYS 40 HE2 LYS 40 9.188 1.740 5.587 314 2HE LYS 40 HE1 LYS 40 7.686 2.611 5.883 315 1HZ LYS 40 HZ1 LYS 40 6.659 1.056 4.187 316 2HZ LYS 40 HZ2 LYS 40 7.131 0.366 5.668 317 3HZ LYS 40 HZ3 LYS 40 8.086 0.130 4.302 318 H SER 41 HN SER 41 5.439 4.827 1.558 319 HA SER 41 HA SER 41 2.812 3.476 1.759 320 1HB SER 41 HB2 SER 41 2.333 4.545 -0.533 321 2HB SER 41 HB1 SER 41 2.273 5.598 0.886 322 HG SER 41 HG SER 41 3.810 5.765 -1.321 323 H GLY 42 HN GLY 42 2.370 1.900 0.170 324 1HA GLY 42 HA2 GLY 42 3.897 1.157 -2.011 325 2HA GLY 42 HA1 GLY 42 4.614 0.332 -0.626 326 H LEU 43 HN LEU 43 3.989 -1.724 -0.697 327 HA LEU 43 HA LEU 43 1.398 -2.482 -1.663 328 1HB LEU 43 HB2 LEU 43 3.737 -3.959 -0.522 329 2HB LEU 43 HB1 LEU 43 2.207 -4.770 -0.686 330 HG LEU 43 HG LEU 43 3.613 -5.302 -2.555 331 1HD1 LEU 43 HD11 LEU 43 2.180 -4.627 -4.409 332 2HD1 LEU 43 HD12 LEU 43 1.403 -3.435 -3.363 333 3HD1 LEU 43 HD13 LEU 43 1.254 -5.152 -2.999 334 1HD2 LEU 43 HD21 LEU 43 3.740 -2.339 -3.094 335 2HD2 LEU 43 HD22 LEU 43 4.367 -3.616 -4.143 336 3HD2 LEU 43 HD23 LEU 43 5.073 -3.365 -2.551 337 H LYS 44 HN LYS 44 0.170 -4.196 -0.207 338 HA LYS 44 HA LYS 44 -0.990 -2.870 1.920 339 1HB LYS 44 HB2 LYS 44 -2.121 -4.633 0.732 340 2HB LYS 44 HB1 LYS 44 -0.902 -5.802 1.222 341 1HG LYS 44 HG2 LYS 44 -1.645 -5.536 3.559 342 2HG LYS 44 HG1 LYS 44 -2.891 -4.407 3.019 343 1HD LYS 44 HD2 LYS 44 -3.956 -6.128 1.715 344 2HD LYS 44 HD1 LYS 44 -2.631 -7.246 2.045 345 1HE LYS 44 HE2 LYS 44 -3.191 -7.153 4.437 346 2HE LYS 44 HE1 LYS 44 -4.566 -6.112 4.050 347 1HZ LYS 44 HZ1 LYS 44 -5.534 -7.898 2.761 348 2HZ LYS 44 HZ2 LYS 44 -5.207 -8.450 4.329 349 3HZ LYS 44 HZ3 LYS 44 -4.186 -8.895 3.045 350 H LYS 45 HN LYS 45 1.476 -5.396 1.888 351 HA LYS 45 HA LYS 45 1.762 -5.727 4.641 352 1HB LYS 45 HB2 LYS 45 4.030 -6.615 4.068 353 2HB LYS 45 HB1 LYS 45 2.693 -7.367 3.221 354 1HG LYS 45 HG2 LYS 45 4.204 -7.139 1.504 355 2HG LYS 45 HG1 LYS 45 3.317 -5.617 1.363 356 1HD LYS 45 HD2 LYS 45 5.071 -4.528 2.758 357 2HD LYS 45 HD1 LYS 45 5.969 -6.046 2.735 358 1HE LYS 45 HE2 LYS 45 5.204 -4.453 0.282 359 2HE LYS 45 HE1 LYS 45 6.798 -4.428 1.046 360 1HZ LYS 45 HZ1 LYS 45 6.692 -5.915 -0.877 361 2HZ LYS 45 HZ2 LYS 45 5.488 -6.845 -0.130 362 3HZ LYS 45 HZ3 LYS 45 7.047 -6.767 0.543 363 H ASP 46 HN ASP 46 3.059 -3.316 2.513 364 HA ASP 46 HA ASP 46 5.102 -2.345 4.137 365 1HB ASP 46 HB2 ASP 46 4.760 -1.911 1.661 366 2HB ASP 46 HB1 ASP 46 3.538 -0.747 2.122 367 H CYS 47 HN CYS 47 1.753 -1.255 3.703 368 HA CYS 47 HA CYS 47 2.063 0.932 5.488 369 1HB CYS 47 HB2 CYS 47 -0.369 1.197 5.241 370 2HB CYS 47 HB1 CYS 47 0.385 0.939 3.673 371 HG CYS 47 HG CYS 47 -0.297 -1.953 4.026 372 H LEU 48 HN LEU 48 0.892 -2.357 5.789 373 HA LEU 48 HA LEU 48 -0.251 -2.234 8.313 374 1HB LEU 48 HB2 LEU 48 1.316 -4.491 7.044 375 2HB LEU 48 HB1 LEU 48 0.294 -4.657 8.453 376 HG LEU 48 HG LEU 48 -0.601 -3.981 5.655 377 1HD1 LEU 48 HD11 LEU 48 -1.822 -6.106 5.815 378 2HD1 LEU 48 HD12 LEU 48 -1.061 -6.413 7.382 379 3HD1 LEU 48 HD13 LEU 48 -0.068 -6.319 5.928 380 1HD2 LEU 48 HD21 LEU 48 -2.226 -4.193 8.191 381 2HD2 LEU 48 HD22 LEU 48 -2.891 -4.047 6.563 382 3HD2 LEU 48 HD23 LEU 48 -1.922 -2.729 7.250 383 H ALA 49 HN ALA 49 3.048 -2.987 7.381 384 HA ALA 49 HA ALA 49 4.164 -3.301 9.898 385 1HB ALA 49 HB1 ALA 49 5.518 -2.179 7.447 386 2HB ALA 49 HB2 ALA 49 5.274 -3.890 7.793 387 3HB ALA 49 HB3 ALA 49 6.311 -2.918 8.839 388 H TYR 50 HN TYR 50 3.700 -0.352 7.999 389 HA TYR 50 HA TYR 50 5.110 1.409 9.598 390 1HB TYR 50 HB2 TYR 50 4.206 1.926 7.336 391 2HB TYR 50 HB1 TYR 50 2.594 2.053 8.040 392 HD1 TYR 50 HD1 TYR 50 5.971 3.569 8.007 393 HD2 TYR 50 HD2 TYR 50 1.908 4.016 9.179 394 HE1 TYR 50 HE1 TYR 50 6.395 5.931 8.532 395 HE2 TYR 50 HE2 TYR 50 2.314 6.378 9.710 396 HH TYR 50 HH TYR 50 4.194 7.844 10.294 397 H ILE 51 HN ILE 51 1.764 0.351 9.904 398 HA ILE 51 HA ILE 51 1.119 2.121 12.035 399 HB ILE 51 HB ILE 51 -0.186 -0.319 10.856 400 1HG1 ILE 51 HG12 ILE 51 -2.115 1.234 10.690 401 2HG1 ILE 51 HG11 ILE 51 -1.129 2.484 11.449 402 1HG2 ILE 51 HG21 ILE 51 -1.968 -0.237 12.541 403 2HG2 ILE 51 HG22 ILE 51 -1.004 0.892 13.488 404 3HG2 ILE 51 HG23 ILE 51 -0.422 -0.752 13.202 405 1HD1 ILE 51 HD11 ILE 51 -1.245 2.783 9.046 406 2HD1 ILE 51 HD12 ILE 51 -0.612 1.152 8.796 407 3HD1 ILE 51 HD13 ILE 51 0.411 2.388 9.547 408 H GLU 52 HN GLU 52 2.459 -1.122 11.868 409 HA GLU 52 HA GLU 52 2.374 -1.698 14.605 410 1HB GLU 52 HB2 GLU 52 4.182 -2.695 12.415 411 2HB GLU 52 HB1 GLU 52 4.236 -3.320 14.055 412 1HG GLU 52 HG2 GLU 52 1.817 -3.853 13.821 413 2HG GLU 52 HG1 GLU 52 1.954 -3.460 12.105 414 H GLU 53 HN GLU 53 4.731 0.024 12.656 415 HA GLU 53 HA GLU 53 6.906 0.165 14.190 416 1HB GLU 53 HB2 GLU 53 5.750 2.577 12.807 417 2HB GLU 53 HB1 GLU 53 7.434 2.361 13.288 418 1HG GLU 53 HG2 GLU 53 6.010 0.544 11.344 419 2HG GLU 53 HG1 GLU 53 6.890 1.988 10.851 420 H VAL 54 HN VAL 54 4.738 2.851 16.400 421 HA VAL 54 HA VAL 54 4.061 2.302 13.613 422 HB VAL 54 HB VAL 54 2.148 2.439 15.050 423 1HG1 VAL 54 HG11 VAL 54 3.129 5.146 15.949 424 2HG1 VAL 54 HG12 VAL 54 3.178 3.658 16.894 425 3HG1 VAL 54 HG13 VAL 54 1.623 4.364 16.453 426 1HG2 VAL 54 HG21 VAL 54 1.919 3.528 12.844 427 2HG2 VAL 54 HG22 VAL 54 2.335 5.066 13.578 428 3HG2 VAL 54 HG23 VAL 54 0.859 4.237 14.066 429 H TRP 55 HN TRP 55 5.120 4.967 15.709 430 HA TRP 55 HA TRP 55 6.415 6.207 13.428 431 1HB TRP 55 HB2 TRP 55 4.361 7.536 13.961 432 2HB TRP 55 HB1 TRP 55 4.909 7.678 15.629 433 HD1 TRP 55 HD1 TRP 55 6.008 8.805 12.085 434 HE1 TRP 55 HE1 TRP 55 7.269 11.040 12.335 435 HE3 TRP 55 HE3 TRP 55 6.033 9.178 17.190 436 HZ2 TRP 55 HZ2 TRP 55 8.146 12.732 14.401 437 HZ3 TRP 55 HZ3 TRP 55 7.100 11.155 18.215 438 HH2 TRP 55 HH2 TRP 55 8.135 12.888 16.843 439 H THR 56 HN THR 56 6.871 4.370 15.723 440 HA THR 56 HA THR 56 9.117 5.753 17.028 441 HB THR 56 HB THR 56 7.242 5.666 18.633 442 HG1 THR 56 HG1 THR 56 8.864 5.367 19.975 443 1HG2 THR 56 HG21 THR 56 6.005 3.792 17.739 444 2HG2 THR 56 HG22 THR 56 6.371 3.515 19.448 445 3HG2 THR 56 HG23 THR 56 7.310 2.681 18.199 446 H ASP 57 HN ASP 57 9.140 4.278 14.722 447 HA ASP 57 HA ASP 57 9.128 1.547 14.734 448 1HB ASP 57 HB2 ASP 57 10.418 1.649 12.684 449 2HB ASP 57 HB1 ASP 57 9.254 2.965 12.719 450 H MET 58 HN MET 58 10.479 -0.060 15.031 451 HA MET 58 HA MET 58 13.275 0.148 15.450 452 1HB MET 58 HB2 MET 58 12.384 0.982 17.683 453 2HB MET 58 HB1 MET 58 11.658 -0.593 17.904 454 1HG MET 58 HG2 MET 58 13.750 -0.391 19.113 455 2HG MET 58 HG1 MET 58 13.835 -1.638 17.861 456 1HE MET 58 HE1 MET 58 16.491 -1.665 18.093 457 2HE MET 58 HE2 MET 58 16.426 -0.396 19.314 458 3HE MET 58 HE3 MET 58 17.495 -0.233 17.918 459 H ARG 59 HN ARG 59 14.081 -1.779 14.796 460 HA ARG 59 HA ARG 59 12.363 -3.752 13.802 461 1HB ARG 59 HB2 ARG 59 14.690 -3.418 13.017 462 2HB ARG 59 HB1 ARG 59 15.273 -4.130 14.519 463 1HG ARG 59 HG2 ARG 59 15.264 -5.685 12.594 464 2HG ARG 59 HG1 ARG 59 14.346 -6.253 14.000 465 1HD ARG 59 HD2 ARG 59 13.154 -6.693 11.896 466 2HD ARG 59 HD1 ARG 59 12.270 -5.567 12.935 467 HE ARG 59 HE ARG 59 13.939 -4.222 11.023 468 1HH1 ARG 59 HH11 ARG 59 10.823 -5.779 11.457 469 2HH1 ARG 59 HH12 ARG 59 10.071 -4.951 10.127 470 1HH2 ARG 59 HH21 ARG 59 12.953 -3.119 9.274 471 2HH2 ARG 59 HH22 ARG 59 11.278 -3.433 8.890 472 HA PRO 60 HA PRO 60 13.148 -6.314 17.896 473 1HB PRO 60 HB2 PRO 60 13.919 -4.128 19.716 474 2HB PRO 60 HB1 PRO 60 14.535 -5.782 19.619 475 1HG PRO 60 HG2 PRO 60 15.992 -3.712 18.790 476 2HG PRO 60 HG1 PRO 60 16.020 -5.264 17.943 477 1HD PRO 60 HD2 PRO 60 14.601 -2.732 17.224 478 2HD PRO 60 HD1 PRO 60 15.474 -3.883 16.170 479 H LEU 61 HN LEU 61 10.909 -6.294 17.642 480 HA LEU 61 HA LEU 61 9.363 -3.979 18.410 481 1HB LEU 61 HB2 LEU 61 8.699 -6.651 17.219 482 2HB LEU 61 HB1 LEU 61 7.430 -5.583 17.809 483 HG LEU 61 HG LEU 61 9.424 -4.873 15.663 484 1HD1 LEU 61 HD11 LEU 61 7.511 -4.981 14.155 485 2HD1 LEU 61 HD12 LEU 61 6.482 -5.541 15.476 486 3HD1 LEU 61 HD13 LEU 61 7.815 -6.542 14.907 487 1HD2 LEU 61 HD21 LEU 61 7.982 -2.908 15.352 488 2HD2 LEU 61 HD22 LEU 61 8.731 -2.922 16.937 489 3HD2 LEU 61 HD23 LEU 61 7.035 -3.374 16.762 490 H SER 62 HN SER 62 10.144 -7.117 19.737 491 HA SER 62 HA SER 62 8.197 -7.016 21.844 492 1HB SER 62 HB2 SER 62 10.831 -8.527 21.808 493 2HB SER 62 HB1 SER 62 9.407 -8.884 22.799 494 HG SER 62 HG SER 62 9.976 -9.698 20.303 495 H LEU 63 HN LEU 63 11.477 -5.826 21.408 496 HA LEU 63 HA LEU 63 11.866 -4.943 24.070 497 1HB LEU 63 HB2 LEU 63 13.695 -5.211 22.437 498 2HB LEU 63 HB1 LEU 63 13.045 -3.866 21.504 499 HG LEU 63 HG LEU 63 13.448 -2.382 23.475 500 1HD1 LEU 63 HD11 LEU 63 14.962 -3.168 25.215 501 2HD1 LEU 63 HD12 LEU 63 14.922 -4.786 24.525 502 3HD1 LEU 63 HD13 LEU 63 13.470 -4.089 25.224 503 1HD2 LEU 63 HD21 LEU 63 14.997 -2.471 21.595 504 2HD2 LEU 63 HD22 LEU 63 15.848 -3.829 22.343 505 3HD2 LEU 63 HD23 LEU 63 15.854 -2.240 23.113 506 H ARG 64 HN ARG 64 10.336 -3.558 21.233 507 HA ARG 64 HA ARG 64 9.914 -0.993 22.508 508 1HB ARG 64 HB2 ARG 64 10.203 -1.281 20.024 509 2HB ARG 64 HB1 ARG 64 8.638 -2.085 19.963 510 1HG ARG 64 HG2 ARG 64 8.553 0.298 19.315 511 2HG ARG 64 HG1 ARG 64 7.535 -0.071 20.703 512 1HD ARG 64 HD2 ARG 64 9.389 0.709 22.177 513 2HD ARG 64 HD1 ARG 64 10.265 1.221 20.745 514 HE ARG 64 HE ARG 64 8.865 3.045 20.553 515 1HH1 ARG 64 HH11 ARG 64 7.468 0.765 22.827 516 2HH1 ARG 64 HH12 ARG 64 6.374 1.945 23.506 517 1HH2 ARG 64 HH21 ARG 64 7.485 4.589 21.483 518 2HH2 ARG 64 HH22 ARG 64 6.397 4.111 22.752 519 H GLN 65 HN GLN 65 8.127 -3.945 21.969 520 HA GLN 65 HA GLN 65 6.366 -4.856 22.954 521 1HB GLN 65 HB2 GLN 65 6.734 -2.559 24.845 522 2HB GLN 65 HB1 GLN 65 5.301 -3.582 24.962 523 1HG GLN 65 HG2 GLN 65 6.884 -5.541 25.054 524 2HG GLN 65 HG1 GLN 65 8.165 -4.348 25.305 525 1HE2 GLN 65 HE21 GLN 65 8.615 -5.187 27.351 526 2HE2 GLN 65 HE22 GLN 65 7.563 -4.879 28.695 527 H HIS 66 HN HIS 66 4.578 -5.082 21.975 528 HA HIS 66 HA HIS 66 2.956 -2.734 21.224 529 1HB HIS 66 HB2 HIS 66 1.674 -4.307 19.811 530 2HB HIS 66 HB1 HIS 66 3.393 -4.367 19.424 531 HD1 HIS 66 HD1 HIS 66 4.387 -6.629 19.327 532 HD2 HIS 66 HD2 HIS 66 0.838 -6.596 21.500 533 HE1 HIS 66 HE1 HIS 66 3.934 -9.034 19.926 534 HE2 HIS 66 HE2 HIS 66 1.778 -8.992 21.252 535 H MET 67 HN MET 67 3.391 -4.675 23.762 536 HA MET 67 HA MET 67 0.711 -5.438 24.397 537 1HB MET 67 HB2 MET 67 2.667 -6.728 25.166 538 2HB MET 67 HB1 MET 67 3.164 -5.358 26.158 539 1HG MET 67 HG2 MET 67 1.143 -5.546 27.472 540 2HG MET 67 HG1 MET 67 0.582 -6.891 26.472 541 1HE MET 67 HE1 MET 67 3.239 -5.654 29.058 542 2HE MET 67 HE2 MET 67 4.289 -6.213 27.743 543 3HE MET 67 HE3 MET 67 4.256 -7.088 29.269 544 H ASP 68 HN ASP 68 2.615 -2.607 24.872 545 HA ASP 68 HA ASP 68 1.274 -1.647 27.181 546 1HB ASP 68 HB2 ASP 68 3.006 -0.263 25.142 547 2HB ASP 68 HB1 ASP 68 2.252 0.615 26.492 548 H LYS 69 HN LYS 69 1.159 -0.256 23.867 549 HA LYS 69 HA LYS 69 -1.679 0.368 24.376 550 1HB LYS 69 HB2 LYS 69 0.365 2.332 23.324 551 2HB LYS 69 HB1 LYS 69 -1.356 2.637 23.490 552 1HG LYS 69 HG2 LYS 69 -1.090 2.301 25.963 553 2HG LYS 69 HG1 LYS 69 0.652 2.200 25.710 554 1HD LYS 69 HD2 LYS 69 -1.140 4.568 25.170 555 2HD LYS 69 HD1 LYS 69 0.139 4.446 26.379 556 1HE LYS 69 HE2 LYS 69 1.780 4.243 24.573 557 2HE LYS 69 HE1 LYS 69 0.493 4.425 23.376 558 1HZ LYS 69 HZ1 LYS 69 1.427 6.531 23.621 559 2HZ LYS 69 HZ2 LYS 69 1.520 6.429 25.304 560 3HZ LYS 69 HZ3 LYS 69 0.011 6.620 24.546 561 H ALA 70 HN ALA 70 0.933 0.422 21.926 562 HA ALA 70 HA ALA 70 -0.922 0.590 19.752 563 1HB ALA 70 HB1 ALA 70 1.306 1.600 19.657 564 2HB ALA 70 HB2 ALA 70 1.041 0.460 18.320 565 3HB ALA 70 HB3 ALA 70 2.025 0.006 19.714 566 H ALA 71 HN ALA 71 -2.114 -1.023 19.039 567 HA ALA 71 HA ALA 71 -1.748 -3.699 19.773 568 1HB ALA 71 HB1 ALA 71 -3.889 -2.735 19.024 569 2HB ALA 71 HB2 ALA 71 -3.477 -4.223 18.201 570 3HB ALA 71 HB3 ALA 71 -3.256 -2.681 17.374 571 H GLY 72 HN GLY 72 -0.811 -5.451 18.789 572 1HA GLY 72 HA2 GLY 72 0.337 -5.236 16.147 573 2HA GLY 72 HA1 GLY 72 1.515 -5.310 17.461 Start of MODEL 17 1 1H MET 1 HT1 MET 1 13.913 -5.296 -2.505 2 2H MET 1 HT2 MET 1 15.287 -5.698 -3.396 3 3H MET 1 HT3 MET 1 15.084 -6.327 -1.834 4 HA MET 1 HA MET 1 14.626 -8.005 -3.492 5 1HB MET 1 HB2 MET 1 12.148 -6.993 -2.068 6 2HB MET 1 HB1 MET 1 12.339 -8.604 -2.749 7 1HG MET 1 HG2 MET 1 13.956 -7.422 -0.507 8 2HG MET 1 HG1 MET 1 12.655 -8.608 -0.347 9 1HE MET 1 HE1 MET 1 14.157 -10.391 0.980 10 2HE MET 1 HE2 MET 1 15.385 -9.127 1.004 11 3HE MET 1 HE3 MET 1 15.812 -10.765 0.494 12 H THR 2 HN THR 2 13.430 -8.707 -5.282 13 HA THR 2 HA THR 2 12.675 -6.664 -7.146 14 HB THR 2 HB THR 2 12.173 -9.643 -7.419 15 HG1 THR 2 HG1 THR 2 14.565 -8.220 -8.071 16 1HG2 THR 2 HG21 THR 2 12.464 -9.197 -9.814 17 2HG2 THR 2 HG22 THR 2 12.790 -7.498 -9.456 18 3HG2 THR 2 HG23 THR 2 11.194 -8.168 -9.138 19 H SER 3 HN SER 3 10.578 -6.176 -7.870 20 HA SER 3 HA SER 3 8.414 -6.702 -6.107 21 1HB SER 3 HB2 SER 3 8.346 -5.724 -8.977 22 2HB SER 3 HB1 SER 3 7.005 -5.638 -7.836 23 HG SER 3 HG SER 3 8.943 -3.871 -8.196 24 H VAL 4 HN VAL 4 8.236 -8.915 -5.857 25 HA VAL 4 HA VAL 4 7.966 -10.732 -8.055 26 HB VAL 4 HB VAL 4 8.868 -11.411 -5.856 27 1HG1 VAL 4 HG11 VAL 4 6.063 -10.981 -4.845 28 2HG1 VAL 4 HG12 VAL 4 7.496 -10.059 -4.368 29 3HG1 VAL 4 HG13 VAL 4 7.352 -11.770 -3.943 30 1HG2 VAL 4 HG21 VAL 4 7.651 -13.529 -5.608 31 2HG2 VAL 4 HG22 VAL 4 7.991 -13.122 -7.305 32 3HG2 VAL 4 HG23 VAL 4 6.373 -12.895 -6.647 33 H PHE 5 HN PHE 5 5.933 -8.536 -6.528 34 HA PHE 5 HA PHE 5 3.773 -7.949 -6.814 35 1HB PHE 5 HB2 PHE 5 3.873 -8.497 -9.165 36 2HB PHE 5 HB1 PHE 5 3.716 -10.221 -8.828 37 HD1 PHE 5 HD1 PHE 5 1.623 -11.185 -8.932 38 HD2 PHE 5 HD2 PHE 5 1.929 -6.981 -8.328 39 HE1 PHE 5 HE1 PHE 5 -0.837 -10.977 -9.121 40 HE2 PHE 5 HE2 PHE 5 -0.526 -6.774 -8.479 41 HZ PHE 5 HZ PHE 5 -1.902 -8.777 -8.880 42 H ASP 6 HN ASP 6 2.877 -8.253 -4.896 43 HA ASP 6 HA ASP 6 2.177 -10.862 -3.899 44 1HB ASP 6 HB2 ASP 6 1.459 -8.041 -3.009 45 2HB ASP 6 HB1 ASP 6 0.955 -9.487 -2.138 46 H ARG 7 HN ARG 7 0.242 -11.879 -4.081 47 HA ARG 7 HA ARG 7 -1.454 -10.999 -6.230 48 1HB ARG 7 HB2 ARG 7 -1.567 -13.410 -4.386 49 2HB ARG 7 HB1 ARG 7 -2.746 -13.097 -5.647 50 1HG ARG 7 HG2 ARG 7 -1.026 -13.218 -7.330 51 2HG ARG 7 HG1 ARG 7 0.202 -13.435 -6.083 52 1HD ARG 7 HD2 ARG 7 -0.798 -15.512 -5.402 53 2HD ARG 7 HD1 ARG 7 -2.125 -15.278 -6.534 54 HE ARG 7 HE ARG 7 -0.068 -15.267 -8.213 55 1HH1 ARG 7 HH11 ARG 7 -0.684 -17.368 -5.480 56 2HH1 ARG 7 HH12 ARG 7 0.029 -18.775 -6.207 57 1HH2 ARG 7 HH21 ARG 7 0.919 -17.108 -9.191 58 2HH2 ARG 7 HH22 ARG 7 0.991 -18.619 -8.325 59 H ASP 8 HN ASP 8 -1.840 -11.291 -2.732 60 HA ASP 8 HA ASP 8 -4.579 -10.271 -2.953 61 1HB ASP 8 HB2 ASP 8 -4.363 -12.253 -1.594 62 2HB ASP 8 HB1 ASP 8 -3.078 -11.491 -0.646 63 H ASP 9 HN ASP 9 -1.422 -9.506 -1.708 64 HA ASP 9 HA ASP 9 -2.401 -7.118 -0.365 65 1HB ASP 9 HB2 ASP 9 -0.534 -8.667 0.508 66 2HB ASP 9 HB1 ASP 9 0.497 -7.869 -0.678 67 H ILE 10 HN ILE 10 -2.914 -5.528 -1.751 68 HA ILE 10 HA ILE 10 -1.379 -5.142 -4.183 69 HB ILE 10 HB ILE 10 -3.182 -3.521 -4.757 70 1HG1 ILE 10 HG12 ILE 10 -4.397 -4.571 -2.202 71 2HG1 ILE 10 HG11 ILE 10 -3.872 -2.917 -2.487 72 1HG2 ILE 10 HG21 ILE 10 -4.872 -5.220 -5.192 73 2HG2 ILE 10 HG22 ILE 10 -4.067 -6.301 -4.057 74 3HG2 ILE 10 HG23 ILE 10 -3.255 -5.817 -5.539 75 1HD1 ILE 10 HD11 ILE 10 -6.262 -3.048 -2.652 76 2HD1 ILE 10 HD12 ILE 10 -6.156 -4.314 -3.865 77 3HD1 ILE 10 HD13 ILE 10 -5.604 -2.691 -4.236 78 H GLN 11 HN GLN 11 -1.997 -2.252 -4.385 79 HA GLN 11 HA GLN 11 0.249 -1.403 -2.705 80 1HB GLN 11 HB2 GLN 11 -0.786 -0.402 -5.329 81 2HB GLN 11 HB1 GLN 11 0.276 0.580 -4.328 82 1HG GLN 11 HG2 GLN 11 1.625 -0.490 -5.938 83 2HG GLN 11 HG1 GLN 11 1.936 -1.287 -4.393 84 1HE2 GLN 11 HE21 GLN 11 1.391 -3.406 -4.119 85 2HE2 GLN 11 HE22 GLN 11 0.884 -4.430 -5.426 86 H PHE 12 HN PHE 12 -0.027 -0.027 -1.147 87 HA PHE 12 HA PHE 12 -2.485 1.576 -0.997 88 1HB PHE 12 HB2 PHE 12 -1.419 -0.434 0.936 89 2HB PHE 12 HB1 PHE 12 -2.125 1.038 1.597 90 HD1 PHE 12 HD1 PHE 12 -4.328 0.966 2.166 91 HD2 PHE 12 HD2 PHE 12 -2.935 -1.551 -0.981 92 HE1 PHE 12 HE1 PHE 12 -6.567 -0.023 1.973 93 HE2 PHE 12 HE2 PHE 12 -5.178 -2.524 -1.209 94 HZ PHE 12 HZ PHE 12 -7.004 -1.768 0.269 95 H GLN 13 HN GLN 13 -2.250 3.044 1.038 96 HA GLN 13 HA GLN 13 0.398 3.778 1.795 97 1HB GLN 13 HB2 GLN 13 0.145 6.168 1.201 98 2HB GLN 13 HB1 GLN 13 0.219 5.129 -0.212 99 1HG GLN 13 HG2 GLN 13 -2.227 5.250 -0.399 100 2HG GLN 13 HG1 GLN 13 -2.257 6.366 0.973 101 1HE2 GLN 13 HE21 GLN 13 -1.533 8.461 0.704 102 2HE2 GLN 13 HE22 GLN 13 -1.247 9.163 -0.853 103 H VAL 14 HN VAL 14 0.287 5.421 3.562 104 HA VAL 14 HA VAL 14 -2.140 4.904 5.126 105 HB VAL 14 HB VAL 14 0.542 5.949 6.072 106 1HG1 VAL 14 HG11 VAL 14 -0.297 5.590 8.304 107 2HG1 VAL 14 HG12 VAL 14 -1.845 5.042 7.669 108 3HG1 VAL 14 HG13 VAL 14 -1.334 6.726 7.435 109 1HG2 VAL 14 HG21 VAL 14 0.803 3.744 7.114 110 2HG2 VAL 14 HG22 VAL 14 0.699 3.644 5.355 111 3HG2 VAL 14 HG23 VAL 14 -0.701 3.211 6.348 112 H VAL 15 HN VAL 15 -3.509 6.539 5.678 113 HA VAL 15 HA VAL 15 -2.650 9.276 5.028 114 HB VAL 15 HB VAL 15 -5.076 9.805 4.748 115 1HG1 VAL 15 HG11 VAL 15 -3.637 9.422 2.826 116 2HG1 VAL 15 HG12 VAL 15 -5.262 8.805 2.521 117 3HG1 VAL 15 HG13 VAL 15 -3.959 7.683 2.901 118 1HG2 VAL 15 HG21 VAL 15 -6.649 7.975 4.398 119 2HG2 VAL 15 HG22 VAL 15 -6.005 7.943 6.040 120 3HG2 VAL 15 HG23 VAL 15 -5.409 6.808 4.825 121 H VAL 16 HN VAL 16 -3.049 10.902 6.478 122 HA VAL 16 HA VAL 16 -3.716 9.937 9.185 123 HB VAL 16 HB VAL 16 -1.342 10.532 8.894 124 1HG1 VAL 16 HG11 VAL 16 -1.517 12.225 7.188 125 2HG1 VAL 16 HG12 VAL 16 -0.698 12.882 8.597 126 3HG1 VAL 16 HG13 VAL 16 -2.384 13.300 8.285 127 1HG2 VAL 16 HG21 VAL 16 -2.842 12.440 10.687 128 2HG2 VAL 16 HG22 VAL 16 -1.131 12.006 10.822 129 3HG2 VAL 16 HG23 VAL 16 -2.372 10.778 11.080 130 H ASN 17 HN ASN 17 -5.153 10.927 10.368 131 HA ASN 17 HA ASN 17 -6.835 12.979 9.215 132 1HB ASN 17 HB2 ASN 17 -7.744 11.054 10.507 133 2HB ASN 17 HB1 ASN 17 -6.898 11.640 11.933 134 1HD2 ASN 17 HD21 ASN 17 -9.587 12.172 9.771 135 2HD2 ASN 17 HD22 ASN 17 -10.407 13.316 10.770 136 H HIS 18 HN HIS 18 -7.425 14.949 10.574 137 HA HIS 18 HA HIS 18 -5.087 16.426 11.291 138 1HB HIS 18 HB2 HIS 18 -7.997 17.060 11.823 139 2HB HIS 18 HB1 HIS 18 -6.654 18.187 11.990 140 HD1 HIS 18 HD1 HIS 18 -9.251 17.729 9.824 141 HD2 HIS 18 HD2 HIS 18 -5.143 17.961 9.209 142 HE1 HIS 18 HE1 HIS 18 -8.961 18.362 7.417 143 HE2 HIS 18 HE2 HIS 18 -6.470 18.294 7.014 144 H GLU 19 HN GLU 19 -6.626 14.099 12.943 145 HA GLU 19 HA GLU 19 -5.781 15.160 15.549 146 1HB GLU 19 HB2 GLU 19 -7.978 13.147 15.035 147 2HB GLU 19 HB1 GLU 19 -7.402 13.618 16.620 148 1HG GLU 19 HG2 GLU 19 -8.045 15.979 16.081 149 2HG GLU 19 HG1 GLU 19 -8.801 15.362 14.615 150 H GLU 20 HN GLU 20 -4.553 13.608 13.274 151 HA GLU 20 HA GLU 20 -3.030 12.044 12.866 152 1HB GLU 20 HB2 GLU 20 -1.371 11.479 14.517 153 2HB GLU 20 HB1 GLU 20 -1.755 13.192 14.587 154 1HG GLU 20 HG2 GLU 20 -2.943 12.932 16.616 155 2HG GLU 20 HG1 GLU 20 -2.877 11.172 16.489 156 H GLN 21 HN GLN 21 -5.443 11.017 12.834 157 HA GLN 21 HA GLN 21 -5.150 8.359 14.003 158 1HB GLN 21 HB2 GLN 21 -7.334 9.754 12.493 159 2HB GLN 21 HB1 GLN 21 -7.242 8.000 12.388 160 1HG GLN 21 HG2 GLN 21 -8.741 8.398 14.126 161 2HG GLN 21 HG1 GLN 21 -7.240 8.017 14.945 162 1HE2 GLN 21 HE21 GLN 21 -9.473 10.531 14.073 163 2HE2 GLN 21 HE22 GLN 21 -8.909 11.698 15.221 164 H TYR 22 HN TYR 22 -4.610 6.553 12.764 165 HA TYR 22 HA TYR 22 -3.526 7.224 10.118 166 1HB TYR 22 HB2 TYR 22 -2.700 5.077 12.078 167 2HB TYR 22 HB1 TYR 22 -2.010 5.288 10.461 168 HD1 TYR 22 HD1 TYR 22 -2.220 6.697 13.838 169 HD2 TYR 22 HD2 TYR 22 -0.512 7.111 9.988 170 HE1 TYR 22 HE1 TYR 22 -0.618 8.312 14.750 171 HE2 TYR 22 HE2 TYR 22 1.114 8.723 10.877 172 HH TYR 22 HH TYR 22 1.434 9.322 14.304 173 H SER 23 HN SER 23 -4.487 6.411 8.413 174 HA SER 23 HA SER 23 -5.950 3.872 8.666 175 1HB SER 23 HB2 SER 23 -6.859 6.314 7.130 176 2HB SER 23 HB1 SER 23 -7.652 4.737 7.103 177 HG SER 23 HG SER 23 -7.318 5.477 9.652 178 H ILE 24 HN ILE 24 -6.295 2.814 6.481 179 HA ILE 24 HA ILE 24 -3.920 3.361 4.817 180 HB ILE 24 HB ILE 24 -4.088 1.038 4.016 181 1HG1 ILE 24 HG12 ILE 24 -6.206 0.703 6.156 182 2HG1 ILE 24 HG11 ILE 24 -6.514 0.749 4.422 183 1HG2 ILE 24 HG21 ILE 24 -3.295 -0.052 6.074 184 2HG2 ILE 24 HG22 ILE 24 -3.875 1.321 7.005 185 3HG2 ILE 24 HG23 ILE 24 -2.574 1.546 5.847 186 1HD1 ILE 24 HD11 ILE 24 -4.839 -1.303 5.838 187 2HD1 ILE 24 HD12 ILE 24 -5.239 -1.274 4.119 188 3HD1 ILE 24 HD13 ILE 24 -6.509 -1.526 5.320 189 H TRP 25 HN TRP 25 -4.160 3.657 2.645 190 HA TRP 25 HA TRP 25 -6.813 3.392 1.476 191 1HB TRP 25 HB2 TRP 25 -6.606 5.701 2.338 192 2HB TRP 25 HB1 TRP 25 -5.170 5.943 1.351 193 HD1 TRP 25 HD1 TRP 25 -5.543 6.763 -1.073 194 HE1 TRP 25 HE1 TRP 25 -7.617 7.226 -2.529 195 HE3 TRP 25 HE3 TRP 25 -9.155 4.737 1.946 196 HZ2 TRP 25 HZ2 TRP 25 -10.386 6.806 -2.422 197 HZ3 TRP 25 HZ3 TRP 25 -11.501 4.832 1.189 198 HH2 TRP 25 HH2 TRP 25 -12.097 5.839 -0.956 199 HA PRO 26 HA PRO 26 -4.425 1.601 -1.866 200 1HB PRO 26 HB2 PRO 26 -6.766 2.620 -3.427 201 2HB PRO 26 HB1 PRO 26 -6.031 1.006 -3.413 202 1HG PRO 26 HG2 PRO 26 -8.322 1.407 -2.161 203 2HG PRO 26 HG1 PRO 26 -7.059 0.415 -1.414 204 1HD PRO 26 HD2 PRO 26 -7.846 3.240 -0.801 205 2HD PRO 26 HD1 PRO 26 -7.388 1.925 0.304 206 H GLU 27 HN GLU 27 -2.830 2.530 -3.018 207 HA GLU 27 HA GLU 27 -2.689 5.363 -3.172 208 1HB GLU 27 HB2 GLU 27 -0.463 5.015 -4.096 209 2HB GLU 27 HB1 GLU 27 -0.716 4.047 -2.656 210 1HG GLU 27 HG2 GLU 27 0.401 2.592 -4.052 211 2HG GLU 27 HG1 GLU 27 -1.291 2.160 -4.316 212 H TYR 28 HN TYR 28 -4.201 3.166 -5.092 213 HA TYR 28 HA TYR 28 -3.644 4.199 -7.683 214 1HB TYR 28 HB2 TYR 28 -6.098 2.703 -6.751 215 2HB TYR 28 HB1 TYR 28 -5.514 2.857 -8.411 216 HD1 TYR 28 HD1 TYR 28 -5.071 1.169 -5.193 217 HD2 TYR 28 HD2 TYR 28 -3.591 1.551 -9.180 218 HE1 TYR 28 HE1 TYR 28 -3.789 -0.891 -4.901 219 HE2 TYR 28 HE2 TYR 28 -2.294 -0.530 -8.893 220 HH TYR 28 HH TYR 28 -1.361 -1.891 -7.092 221 H LYS 29 HN LYS 29 -6.019 4.882 -5.210 222 HA LYS 29 HA LYS 29 -7.425 6.731 -6.995 223 1HB LYS 29 HB2 LYS 29 -8.195 5.508 -4.332 224 2HB LYS 29 HB1 LYS 29 -9.184 6.674 -5.194 225 1HG LYS 29 HG2 LYS 29 -9.427 5.132 -7.044 226 2HG LYS 29 HG1 LYS 29 -8.343 3.991 -6.264 227 1HD LYS 29 HD2 LYS 29 -10.982 4.906 -5.131 228 2HD LYS 29 HD1 LYS 29 -10.721 3.401 -6.014 229 1HE LYS 29 HE2 LYS 29 -9.041 2.747 -4.315 230 2HE LYS 29 HE1 LYS 29 -9.486 4.177 -3.383 231 1HZ LYS 29 HZ1 LYS 29 -10.638 2.272 -2.557 232 2HZ LYS 29 HZ2 LYS 29 -11.271 1.911 -4.095 233 3HZ LYS 29 HZ3 LYS 29 -11.764 3.312 -3.271 234 H GLU 30 HN GLU 30 -8.244 8.761 -5.950 235 HA GLU 30 HA GLU 30 -6.066 10.193 -4.812 236 1HB GLU 30 HB2 GLU 30 -7.773 11.143 -6.377 237 2HB GLU 30 HB1 GLU 30 -8.933 11.096 -5.066 238 1HG GLU 30 HG2 GLU 30 -7.893 13.310 -5.424 239 2HG GLU 30 HG1 GLU 30 -7.664 12.671 -3.797 240 H ILE 31 HN ILE 31 -5.797 10.978 -2.746 241 HA ILE 31 HA ILE 31 -6.796 9.538 -0.568 242 HB ILE 31 HB ILE 31 -5.605 12.308 -0.619 243 1HG1 ILE 31 HG12 ILE 31 -4.270 9.616 -0.242 244 2HG1 ILE 31 HG11 ILE 31 -4.172 10.620 -1.689 245 1HG2 ILE 31 HG21 ILE 31 -5.815 10.327 1.644 246 2HG2 ILE 31 HG22 ILE 31 -6.714 11.834 1.491 247 3HG2 ILE 31 HG23 ILE 31 -4.963 11.862 1.705 248 1HD1 ILE 31 HD11 ILE 31 -3.130 11.379 1.032 249 2HD1 ILE 31 HD12 ILE 31 -3.007 12.347 -0.432 250 3HD1 ILE 31 HD13 ILE 31 -2.162 10.806 -0.322 251 HA PRO 32 HA PRO 32 -10.867 11.259 0.166 252 1HB PRO 32 HB2 PRO 32 -10.015 10.787 2.989 253 2HB PRO 32 HB1 PRO 32 -11.526 10.321 2.187 254 1HG PRO 32 HG2 PRO 32 -9.643 8.516 2.659 255 2HG PRO 32 HG1 PRO 32 -10.555 8.491 1.136 256 1HD PRO 32 HD2 PRO 32 -7.757 9.386 1.664 257 2HD PRO 32 HD1 PRO 32 -8.437 8.591 0.226 258 H GLN 33 HN GLN 33 -11.538 13.323 0.560 259 HA GLN 33 HA GLN 33 -9.605 15.315 0.901 260 1HB GLN 33 HB2 GLN 33 -11.540 16.881 0.969 261 2HB GLN 33 HB1 GLN 33 -11.568 15.757 -0.393 262 1HG GLN 33 HG2 GLN 33 -13.181 14.366 0.910 263 2HG GLN 33 HG1 GLN 33 -13.233 15.634 2.120 264 1HE2 GLN 33 HE21 GLN 33 -14.205 17.604 1.606 265 2HE2 GLN 33 HE22 GLN 33 -15.258 17.794 0.233 266 H GLY 34 HN GLY 34 -8.704 16.082 2.653 267 1HA GLY 34 HA2 GLY 34 -9.001 17.124 4.838 268 2HA GLY 34 HA1 GLY 34 -10.122 15.822 5.233 269 H TRP 35 HN TRP 35 -8.094 14.087 3.655 270 HA TRP 35 HA TRP 35 -6.388 13.583 5.984 271 1HB TRP 35 HB2 TRP 35 -7.138 11.759 3.679 272 2HB TRP 35 HB1 TRP 35 -6.112 11.314 5.043 273 HD1 TRP 35 HD1 TRP 35 -9.755 12.463 4.432 274 HE1 TRP 35 HE1 TRP 35 -11.256 11.367 6.220 275 HE3 TRP 35 HE3 TRP 35 -6.143 10.078 7.158 276 HZ2 TRP 35 HZ2 TRP 35 -10.930 9.696 8.472 277 HZ3 TRP 35 HZ3 TRP 35 -6.819 8.754 9.113 278 HH2 TRP 35 HH2 TRP 35 -9.172 8.566 9.756 279 H ARG 36 HN ARG 36 -4.169 12.759 5.520 280 HA ARG 36 HA ARG 36 -3.066 13.620 2.944 281 1HB ARG 36 HB2 ARG 36 -2.015 14.446 5.660 282 2HB ARG 36 HB1 ARG 36 -1.068 14.559 4.175 283 1HG ARG 36 HG2 ARG 36 -2.883 16.016 3.235 284 2HG ARG 36 HG1 ARG 36 -3.598 16.024 4.848 285 1HD ARG 36 HD2 ARG 36 -1.621 17.032 5.788 286 2HD ARG 36 HD1 ARG 36 -0.796 16.925 4.234 287 HE ARG 36 HE ARG 36 -3.218 18.394 4.005 288 1HH1 ARG 36 HH11 ARG 36 0.115 18.644 5.067 289 2HH1 ARG 36 HH12 ARG 36 0.198 20.371 4.837 290 1HH2 ARG 36 HH21 ARG 36 -3.104 20.656 3.686 291 2HH2 ARG 36 HH22 ARG 36 -1.646 21.513 4.059 292 H ALA 37 HN ALA 37 -1.001 12.594 2.452 293 HA ALA 37 HA ALA 37 -0.912 9.907 3.296 294 1HB ALA 37 HB1 ALA 37 1.158 11.444 1.766 295 2HB ALA 37 HB2 ALA 37 -0.237 10.635 1.032 296 3HB ALA 37 HB3 ALA 37 1.023 9.693 1.855 297 H ALA 38 HN ALA 38 0.143 8.999 4.954 298 HA ALA 38 HA ALA 38 2.098 10.656 6.410 299 1HB ALA 38 HB1 ALA 38 1.298 9.714 8.465 300 2HB ALA 38 HB2 ALA 38 0.227 8.610 7.596 301 3HB ALA 38 HB3 ALA 38 -0.086 10.348 7.556 302 H GLY 39 HN GLY 39 4.026 9.839 6.758 303 1HA GLY 39 HA2 GLY 39 5.665 8.277 7.194 304 2HA GLY 39 HA1 GLY 39 4.448 7.019 7.163 305 H LYS 40 HN LYS 40 3.923 6.047 5.127 306 HA LYS 40 HA LYS 40 5.638 6.626 2.890 307 1HB LYS 40 HB2 LYS 40 6.643 4.379 2.837 308 2HB LYS 40 HB1 LYS 40 7.149 5.299 4.242 309 1HG LYS 40 HG2 LYS 40 5.588 4.063 5.636 310 2HG LYS 40 HG1 LYS 40 5.036 3.150 4.219 311 1HD LYS 40 HD2 LYS 40 7.259 2.209 3.914 312 2HD LYS 40 HD1 LYS 40 7.872 3.165 5.262 313 1HE LYS 40 HE2 LYS 40 5.755 1.022 5.461 314 2HE LYS 40 HE1 LYS 40 7.448 0.855 5.940 315 1HZ LYS 40 HZ1 LYS 40 5.369 2.543 7.177 316 2HZ LYS 40 HZ2 LYS 40 7.013 2.792 7.470 317 3HZ LYS 40 HZ3 LYS 40 6.288 1.327 7.906 318 H SER 41 HN SER 41 5.313 5.084 1.101 319 HA SER 41 HA SER 41 2.610 3.887 1.088 320 1HB SER 41 HB2 SER 41 2.698 6.042 -0.197 321 2HB SER 41 HB1 SER 41 3.935 5.315 -1.224 322 HG SER 41 HG SER 41 1.421 4.079 -0.876 323 H GLY 42 HN GLY 42 2.386 2.104 -0.521 324 1HA GLY 42 HA2 GLY 42 4.197 0.871 -2.054 325 2HA GLY 42 HA1 GLY 42 4.758 0.434 -0.439 326 H LEU 43 HN LEU 43 4.255 -1.700 -0.390 327 HA LEU 43 HA LEU 43 1.808 -2.784 -1.278 328 1HB LEU 43 HB2 LEU 43 3.906 -3.790 0.618 329 2HB LEU 43 HB1 LEU 43 2.445 -4.697 0.275 330 HG LEU 43 HG LEU 43 4.266 -5.561 -1.042 331 1HD1 LEU 43 HD11 LEU 43 3.322 -5.355 -3.291 332 2HD1 LEU 43 HD12 LEU 43 2.348 -3.992 -2.737 333 3HD1 LEU 43 HD13 LEU 43 2.094 -5.597 -2.051 334 1HD2 LEU 43 HD21 LEU 43 4.556 -2.780 -2.149 335 2HD2 LEU 43 HD22 LEU 43 5.429 -4.199 -2.710 336 3HD2 LEU 43 HD23 LEU 43 5.698 -3.582 -1.072 337 H LYS 44 HN LYS 44 0.123 -3.730 0.116 338 HA LYS 44 HA LYS 44 -0.911 -1.853 1.940 339 1HB LYS 44 HB2 LYS 44 -2.420 -3.253 0.701 340 2HB LYS 44 HB1 LYS 44 -1.649 -4.715 1.324 341 1HG LYS 44 HG2 LYS 44 -2.513 -4.273 3.540 342 2HG LYS 44 HG1 LYS 44 -3.194 -2.734 3.006 343 1HD LYS 44 HD2 LYS 44 -4.894 -4.490 3.171 344 2HD LYS 44 HD1 LYS 44 -4.712 -3.885 1.523 345 1HE LYS 44 HE2 LYS 44 -4.928 -6.330 1.557 346 2HE LYS 44 HE1 LYS 44 -3.365 -5.824 0.930 347 1HZ LYS 44 HZ1 LYS 44 -2.300 -6.493 2.880 348 2HZ LYS 44 HZ2 LYS 44 -3.407 -7.738 2.587 349 3HZ LYS 44 HZ3 LYS 44 -3.731 -6.570 3.777 350 H LYS 45 HN LYS 45 0.736 -4.939 2.344 351 HA LYS 45 HA LYS 45 0.519 -5.077 5.114 352 1HB LYS 45 HB2 LYS 45 2.484 -6.634 4.936 353 2HB LYS 45 HB1 LYS 45 1.077 -7.074 3.979 354 1HG LYS 45 HG2 LYS 45 2.764 -7.465 2.498 355 2HG LYS 45 HG1 LYS 45 2.390 -5.791 2.101 356 1HD LYS 45 HD2 LYS 45 4.229 -5.042 3.475 357 2HD LYS 45 HD1 LYS 45 4.584 -6.699 3.966 358 1HE LYS 45 HE2 LYS 45 4.700 -5.629 1.152 359 2HE LYS 45 HE1 LYS 45 6.098 -5.888 2.185 360 1HZ LYS 45 HZ1 LYS 45 5.620 -8.240 2.238 361 2HZ LYS 45 HZ2 LYS 45 5.743 -7.726 0.623 362 3HZ LYS 45 HZ3 LYS 45 4.222 -8.019 1.306 363 H ASP 46 HN ASP 46 2.692 -3.285 3.091 364 HA ASP 46 HA ASP 46 4.613 -2.685 5.095 365 1HB ASP 46 HB2 ASP 46 3.965 -1.320 2.481 366 2HB ASP 46 HB1 ASP 46 5.257 -0.793 3.539 367 H CYS 47 HN CYS 47 1.608 -1.287 4.030 368 HA CYS 47 HA CYS 47 1.892 1.129 5.497 369 1HB CYS 47 HB2 CYS 47 -0.590 -0.140 4.347 370 2HB CYS 47 HB1 CYS 47 -0.404 1.536 4.873 371 HG CYS 47 HG CYS 47 1.051 0.038 2.167 372 H LEU 48 HN LEU 48 0.250 -1.970 5.948 373 HA LEU 48 HA LEU 48 -0.905 -1.487 8.427 374 1HB LEU 48 HB2 LEU 48 0.311 -4.063 7.421 375 2HB LEU 48 HB1 LEU 48 -0.880 -3.923 8.703 376 HG LEU 48 HG LEU 48 -1.350 -3.225 5.793 377 1HD1 LEU 48 HD11 LEU 48 -2.780 -5.191 5.771 378 2HD1 LEU 48 HD12 LEU 48 -2.308 -5.578 7.430 379 3HD1 LEU 48 HD13 LEU 48 -1.107 -5.611 6.138 380 1HD2 LEU 48 HD21 LEU 48 -3.701 -3.029 6.446 381 2HD2 LEU 48 HD22 LEU 48 -2.691 -1.852 7.294 382 3HD2 LEU 48 HD23 LEU 48 -3.253 -3.294 8.135 383 H ALA 49 HN ALA 49 2.285 -2.629 7.538 384 HA ALA 49 HA ALA 49 3.423 -2.986 10.042 385 1HB ALA 49 HB1 ALA 49 5.590 -2.582 8.966 386 2HB ALA 49 HB2 ALA 49 4.783 -1.918 7.551 387 3HB ALA 49 HB3 ALA 49 4.556 -3.611 7.979 388 H TYR 50 HN TYR 50 3.114 -0.011 8.146 389 HA TYR 50 HA TYR 50 4.529 1.705 9.785 390 1HB TYR 50 HB2 TYR 50 3.813 2.379 7.558 391 2HB TYR 50 HB1 TYR 50 2.120 2.382 8.086 392 HD1 TYR 50 HD1 TYR 50 5.422 3.908 8.999 393 HD2 TYR 50 HD2 TYR 50 1.197 4.378 8.739 394 HE1 TYR 50 HE1 TYR 50 5.645 6.258 9.695 395 HE2 TYR 50 HE2 TYR 50 1.418 6.717 9.481 396 HH TYR 50 HH TYR 50 4.549 8.253 9.816 397 H ILE 51 HN ILE 51 1.207 0.585 10.160 398 HA ILE 51 HA ILE 51 0.568 2.456 12.203 399 HB ILE 51 HB ILE 51 -0.717 -0.058 11.199 400 1HG1 ILE 51 HG12 ILE 51 -2.614 1.475 10.795 401 2HG1 ILE 51 HG11 ILE 51 -1.701 2.793 11.529 402 1HG2 ILE 51 HG21 ILE 51 -0.963 -0.251 13.598 403 2HG2 ILE 51 HG22 ILE 51 -2.512 0.170 12.867 404 3HG2 ILE 51 HG23 ILE 51 -1.567 1.406 13.699 405 1HD1 ILE 51 HD11 ILE 51 -0.025 2.583 9.728 406 2HD1 ILE 51 HD12 ILE 51 -1.643 2.946 9.110 407 3HD1 ILE 51 HD13 ILE 51 -1.003 1.309 8.995 408 H GLU 52 HN GLU 52 2.004 -0.696 12.101 409 HA GLU 52 HA GLU 52 1.938 -1.304 14.827 410 1HB GLU 52 HB2 GLU 52 2.627 -2.707 12.691 411 2HB GLU 52 HB1 GLU 52 4.238 -2.154 13.124 412 1HG GLU 52 HG2 GLU 52 3.894 -4.313 14.048 413 2HG GLU 52 HG1 GLU 52 3.948 -3.132 15.364 414 H GLU 53 HN GLU 53 4.287 0.427 12.857 415 HA GLU 53 HA GLU 53 6.437 0.607 14.438 416 1HB GLU 53 HB2 GLU 53 5.609 3.118 13.072 417 2HB GLU 53 HB1 GLU 53 7.192 2.367 13.152 418 1HG GLU 53 HG2 GLU 53 6.020 0.490 11.756 419 2HG GLU 53 HG1 GLU 53 4.884 1.773 11.367 420 H VAL 54 HN VAL 54 4.338 3.619 16.311 421 HA VAL 54 HA VAL 54 3.643 2.690 13.644 422 HB VAL 54 HB VAL 54 1.691 2.875 14.962 423 1HG1 VAL 54 HG11 VAL 54 2.697 5.544 15.898 424 2HG1 VAL 54 HG12 VAL 54 2.646 4.045 16.835 425 3HG1 VAL 54 HG13 VAL 54 1.139 4.830 16.337 426 1HG2 VAL 54 HG21 VAL 54 1.423 3.948 12.787 427 2HG2 VAL 54 HG22 VAL 54 1.894 5.498 13.483 428 3HG2 VAL 54 HG23 VAL 54 0.404 4.706 14.011 429 H TRP 55 HN TRP 55 4.750 5.543 15.396 430 HA TRP 55 HA TRP 55 4.848 7.142 12.976 431 1HB TRP 55 HB2 TRP 55 4.250 8.171 15.119 432 2HB TRP 55 HB1 TRP 55 5.821 7.751 15.785 433 HD1 TRP 55 HD1 TRP 55 4.194 10.051 13.164 434 HE1 TRP 55 HE1 TRP 55 5.752 12.065 12.774 435 HE3 TRP 55 HE3 TRP 55 8.166 8.547 15.986 436 HZ2 TRP 55 HZ2 TRP 55 8.319 12.904 13.551 437 HZ3 TRP 55 HZ3 TRP 55 10.135 10.023 16.114 438 HH2 TRP 55 HH2 TRP 55 10.209 12.155 14.922 439 H THR 56 HN THR 56 7.057 5.373 15.040 440 HA THR 56 HA THR 56 9.164 5.894 13.080 441 HB THR 56 HB THR 56 9.788 7.234 14.943 442 HG1 THR 56 HG1 THR 56 11.376 5.531 14.047 443 1HG2 THR 56 HG21 THR 56 9.985 6.376 17.234 444 2HG2 THR 56 HG22 THR 56 9.361 4.812 16.702 445 3HG2 THR 56 HG23 THR 56 8.328 6.229 16.633 446 H ASP 57 HN ASP 57 9.749 4.105 12.118 447 HA ASP 57 HA ASP 57 9.063 1.523 12.909 448 1HB ASP 57 HB2 ASP 57 9.665 2.075 10.621 449 2HB ASP 57 HB1 ASP 57 11.309 2.460 11.115 450 H MET 58 HN MET 58 9.621 0.753 14.844 451 HA MET 58 HA MET 58 12.521 0.607 15.439 452 1HB MET 58 HB2 MET 58 11.214 1.877 17.132 453 2HB MET 58 HB1 MET 58 10.194 0.465 17.395 454 1HG MET 58 HG2 MET 58 12.132 -0.782 18.175 455 2HG MET 58 HG1 MET 58 13.160 0.621 17.894 456 1HE MET 58 HE1 MET 58 14.074 0.544 20.407 457 2HE MET 58 HE2 MET 58 13.111 -0.913 20.610 458 3HE MET 58 HE3 MET 58 13.010 0.370 21.799 459 H ARG 59 HN ARG 59 9.415 -1.080 15.769 460 HA ARG 59 HA ARG 59 10.842 -3.572 15.100 461 1HB ARG 59 HB2 ARG 59 10.308 -3.655 17.484 462 2HB ARG 59 HB1 ARG 59 8.627 -3.267 17.132 463 1HG ARG 59 HG2 ARG 59 8.349 -5.389 15.985 464 2HG ARG 59 HG1 ARG 59 10.061 -5.757 16.218 465 1HD ARG 59 HD2 ARG 59 8.108 -5.318 18.466 466 2HD ARG 59 HD1 ARG 59 8.565 -6.898 17.847 467 HE ARG 59 HE ARG 59 10.951 -5.874 18.460 468 1HH1 ARG 59 HH11 ARG 59 7.952 -5.940 20.259 469 2HH1 ARG 59 HH12 ARG 59 8.727 -5.941 21.798 470 1HH2 ARG 59 HH21 ARG 59 11.999 -5.886 20.505 471 2HH2 ARG 59 HH22 ARG 59 11.031 -5.897 21.956 472 HA PRO 60 HA PRO 60 7.786 -2.817 11.827 473 1HB PRO 60 HB2 PRO 60 9.047 -4.559 10.105 474 2HB PRO 60 HB1 PRO 60 9.408 -2.832 10.225 475 1HG PRO 60 HG2 PRO 60 10.849 -5.167 11.442 476 2HG PRO 60 HG1 PRO 60 11.505 -3.676 10.732 477 1HD PRO 60 HD2 PRO 60 11.344 -4.021 13.402 478 2HD PRO 60 HD1 PRO 60 11.100 -2.428 12.638 479 H LEU 61 HN LEU 61 6.395 -4.267 10.604 480 HA LEU 61 HA LEU 61 5.394 -6.368 12.265 481 1HB LEU 61 HB2 LEU 61 3.940 -4.938 10.895 482 2HB LEU 61 HB1 LEU 61 4.686 -5.568 9.428 483 HG LEU 61 HG LEU 61 3.776 -7.820 9.987 484 1HD1 LEU 61 HD11 LEU 61 3.625 -7.479 12.428 485 2HD1 LEU 61 HD12 LEU 61 2.107 -8.074 11.718 486 3HD1 LEU 61 HD13 LEU 61 2.290 -6.372 12.154 487 1HD2 LEU 61 HD21 LEU 61 1.764 -5.582 9.838 488 2HD2 LEU 61 HD22 LEU 61 1.454 -7.280 9.434 489 3HD2 LEU 61 HD23 LEU 61 2.593 -6.331 8.470 490 H SER 62 HN SER 62 7.604 -6.214 9.614 491 HA SER 62 HA SER 62 7.419 -8.669 8.416 492 1HB SER 62 HB2 SER 62 9.955 -7.109 9.048 493 2HB SER 62 HB1 SER 62 9.780 -8.344 7.799 494 HG SER 62 HG SER 62 9.501 -5.956 7.280 495 H LEU 63 HN LEU 63 9.617 -7.952 11.192 496 HA LEU 63 HA LEU 63 10.041 -10.818 11.498 497 1HB LEU 63 HB2 LEU 63 11.815 -10.328 12.896 498 2HB LEU 63 HB1 LEU 63 11.856 -9.001 11.763 499 HG LEU 63 HG LEU 63 10.639 -8.823 14.506 500 1HD1 LEU 63 HD11 LEU 63 13.327 -7.874 13.547 501 2HD1 LEU 63 HD12 LEU 63 13.049 -9.237 14.641 502 3HD1 LEU 63 HD13 LEU 63 12.639 -7.594 15.144 503 1HD2 LEU 63 HD21 LEU 63 10.718 -6.412 14.121 504 2HD2 LEU 63 HD22 LEU 63 9.726 -7.221 12.906 505 3HD2 LEU 63 HD23 LEU 63 11.355 -6.684 12.505 506 H ARG 64 HN ARG 64 7.718 -8.716 12.479 507 HA ARG 64 HA ARG 64 7.407 -9.649 15.198 508 1HB ARG 64 HB2 ARG 64 6.829 -7.344 14.348 509 2HB ARG 64 HB1 ARG 64 5.467 -8.073 13.520 510 1HG ARG 64 HG2 ARG 64 4.444 -8.726 15.564 511 2HG ARG 64 HG1 ARG 64 5.882 -8.272 16.486 512 1HD ARG 64 HD2 ARG 64 5.547 -5.926 15.714 513 2HD ARG 64 HD1 ARG 64 4.019 -6.434 15.003 514 HE ARG 64 HE ARG 64 3.405 -7.106 17.365 515 1HH1 ARG 64 HH11 ARG 64 5.725 -4.572 16.692 516 2HH1 ARG 64 HH12 ARG 64 5.420 -3.717 18.180 517 1HH2 ARG 64 HH21 ARG 64 2.995 -6.002 19.291 518 2HH2 ARG 64 HH22 ARG 64 3.845 -4.535 19.657 519 H GLN 65 HN GLN 65 6.136 -10.383 12.030 520 HA GLN 65 HA GLN 65 4.283 -12.315 13.167 521 1HB GLN 65 HB2 GLN 65 3.543 -10.900 11.271 522 2HB GLN 65 HB1 GLN 65 4.815 -11.620 10.274 523 1HG GLN 65 HG2 GLN 65 2.677 -12.610 9.808 524 2HG GLN 65 HG1 GLN 65 3.779 -13.802 10.512 525 1HE2 GLN 65 HE21 GLN 65 2.132 -11.305 12.328 526 2HE2 GLN 65 HE22 GLN 65 1.058 -12.369 13.190 527 H HIS 66 HN HIS 66 5.017 -14.295 13.607 528 HA HIS 66 HA HIS 66 7.737 -14.923 12.758 529 1HB HIS 66 HB2 HIS 66 6.020 -16.291 14.848 530 2HB HIS 66 HB1 HIS 66 7.728 -16.541 14.603 531 HD1 HIS 66 HD1 HIS 66 5.471 -14.685 16.665 532 HD2 HIS 66 HD2 HIS 66 9.256 -13.993 15.066 533 HE1 HIS 66 HE1 HIS 66 6.442 -12.802 18.014 534 HE2 HIS 66 HE2 HIS 66 8.790 -12.522 17.137 535 H MET 67 HN MET 67 4.586 -16.553 12.929 536 HA MET 67 HA MET 67 5.684 -18.878 11.594 537 1HB MET 67 HB2 MET 67 3.487 -19.892 11.912 538 2HB MET 67 HB1 MET 67 4.096 -19.208 13.415 539 1HG MET 67 HG2 MET 67 2.647 -17.294 13.190 540 2HG MET 67 HG1 MET 67 2.098 -17.867 11.611 541 1HE MET 67 HE1 MET 67 0.146 -21.107 12.530 542 2HE MET 67 HE2 MET 67 1.852 -20.980 12.080 543 3HE MET 67 HE3 MET 67 0.641 -20.011 11.229 544 H ASP 68 HN ASP 68 4.157 -15.993 10.618 545 HA ASP 68 HA ASP 68 3.297 -17.249 8.118 546 1HB ASP 68 HB2 ASP 68 1.487 -16.089 9.254 547 2HB ASP 68 HB1 ASP 68 2.448 -14.604 9.331 548 H LYS 69 HN LYS 69 4.657 -17.052 6.500 549 HA LYS 69 HA LYS 69 5.596 -14.551 5.563 550 1HB LYS 69 HB2 LYS 69 8.038 -14.998 5.783 551 2HB LYS 69 HB1 LYS 69 7.245 -14.690 7.322 552 1HG LYS 69 HG2 LYS 69 7.251 -17.060 7.832 553 2HG LYS 69 HG1 LYS 69 7.983 -17.412 6.268 554 1HD LYS 69 HD2 LYS 69 9.659 -17.412 8.046 555 2HD LYS 69 HD1 LYS 69 9.952 -16.113 6.910 556 1HE LYS 69 HE2 LYS 69 8.754 -14.579 8.464 557 2HE LYS 69 HE1 LYS 69 8.674 -15.890 9.623 558 1HZ LYS 69 HZ1 LYS 69 10.522 -14.338 9.989 559 2HZ LYS 69 HZ2 LYS 69 11.193 -14.794 8.503 560 3HZ LYS 69 HZ3 LYS 69 11.043 -15.933 9.748 561 H ALA 70 HN ALA 70 7.058 -14.858 3.657 562 HA ALA 70 HA ALA 70 6.032 -17.047 2.075 563 1HB ALA 70 HB1 ALA 70 7.965 -14.849 1.349 564 2HB ALA 70 HB2 ALA 70 6.213 -14.794 1.140 565 3HB ALA 70 HB3 ALA 70 7.185 -15.937 0.228 566 H ALA 71 HN ALA 71 7.763 -17.844 4.230 567 HA ALA 71 HA ALA 71 10.004 -19.008 2.699 568 1HB ALA 71 HB1 ALA 71 10.806 -17.494 4.415 569 2HB ALA 71 HB2 ALA 71 11.234 -19.155 4.812 570 3HB ALA 71 HB3 ALA 71 9.893 -18.376 5.647 571 H GLY 72 HN GLY 72 7.071 -19.713 3.753 572 1HA GLY 72 HA2 GLY 72 7.716 -22.535 4.108 573 2HA GLY 72 HA1 GLY 72 6.732 -21.759 5.334 Start of MODEL 18 1 1H MET 1 HT1 MET 1 7.414 6.559 -3.118 2 2H MET 1 HT2 MET 1 7.973 5.349 -4.176 3 3H MET 1 HT3 MET 1 6.750 5.026 -3.044 4 HA MET 1 HA MET 1 5.270 6.563 -4.160 5 1HB MET 1 HB2 MET 1 7.544 6.750 -6.159 6 2HB MET 1 HB1 MET 1 5.921 7.397 -6.400 7 1HG MET 1 HG2 MET 1 6.260 8.929 -4.538 8 2HG MET 1 HG1 MET 1 7.880 8.273 -4.295 9 1HE MET 1 HE1 MET 1 8.965 10.721 -4.472 10 2HE MET 1 HE2 MET 1 7.332 11.377 -4.644 11 3HE MET 1 HE3 MET 1 8.593 11.838 -5.779 12 H THR 2 HN THR 2 4.290 6.039 -6.434 13 HA THR 2 HA THR 2 3.859 3.275 -6.610 14 HB THR 2 HB THR 2 2.265 4.978 -7.457 15 HG1 THR 2 HG1 THR 2 2.384 2.716 -8.322 16 1HG2 THR 2 HG21 THR 2 4.262 5.321 -9.691 17 2HG2 THR 2 HG22 THR 2 3.852 6.527 -8.466 18 3HG2 THR 2 HG23 THR 2 2.647 6.016 -9.647 19 H SER 3 HN SER 3 4.638 1.695 -8.049 20 HA SER 3 HA SER 3 7.259 2.353 -9.182 21 1HB SER 3 HB2 SER 3 7.084 0.528 -7.446 22 2HB SER 3 HB1 SER 3 6.102 -0.384 -8.582 23 HG SER 3 HG SER 3 8.743 -0.289 -8.409 24 H VAL 4 HN VAL 4 7.738 1.998 -11.312 25 HA VAL 4 HA VAL 4 5.570 1.906 -13.170 26 HB VAL 4 HB VAL 4 7.722 3.094 -13.606 27 1HG1 VAL 4 HG11 VAL 4 9.295 1.482 -12.739 28 2HG1 VAL 4 HG12 VAL 4 9.635 1.800 -14.442 29 3HG1 VAL 4 HG13 VAL 4 8.818 0.315 -13.968 30 1HG2 VAL 4 HG21 VAL 4 6.216 2.619 -15.426 31 2HG2 VAL 4 HG22 VAL 4 6.885 1.004 -15.628 32 3HG2 VAL 4 HG23 VAL 4 7.870 2.420 -16.007 33 H PHE 5 HN PHE 5 7.544 -0.514 -11.684 34 HA PHE 5 HA PHE 5 6.464 -2.574 -13.494 35 1HB PHE 5 HB2 PHE 5 8.678 -2.734 -11.426 36 2HB PHE 5 HB1 PHE 5 8.123 -4.086 -12.416 37 HD1 PHE 5 HD1 PHE 5 10.536 -1.621 -12.104 38 HD2 PHE 5 HD2 PHE 5 8.132 -3.548 -15.037 39 HE1 PHE 5 HE1 PHE 5 12.146 -0.957 -13.865 40 HE2 PHE 5 HE2 PHE 5 9.747 -2.898 -16.786 41 HZ PHE 5 HZ PHE 5 11.745 -1.582 -16.195 42 H ASP 6 HN ASP 6 4.468 -3.059 -12.766 43 HA ASP 6 HA ASP 6 3.930 -3.183 -9.922 44 1HB ASP 6 HB2 ASP 6 2.238 -2.272 -11.529 45 2HB ASP 6 HB1 ASP 6 2.098 -3.897 -12.231 46 H ARG 7 HN ARG 7 5.296 -4.875 -9.322 47 HA ARG 7 HA ARG 7 4.267 -7.538 -10.059 48 1HB ARG 7 HB2 ARG 7 6.697 -6.756 -10.822 49 2HB ARG 7 HB1 ARG 7 7.124 -7.213 -9.162 50 1HG ARG 7 HG2 ARG 7 5.787 -9.024 -11.184 51 2HG ARG 7 HG1 ARG 7 7.507 -9.021 -10.796 52 1HD ARG 7 HD2 ARG 7 6.978 -9.622 -8.485 53 2HD ARG 7 HD1 ARG 7 5.253 -9.610 -8.863 54 HE ARG 7 HE ARG 7 6.739 -11.395 -10.552 55 1HH1 ARG 7 HH11 ARG 7 5.315 -11.099 -7.350 56 2HH1 ARG 7 HH12 ARG 7 4.964 -12.800 -7.232 57 1HH2 ARG 7 HH21 ARG 7 6.308 -13.635 -10.370 58 2HH2 ARG 7 HH22 ARG 7 5.553 -14.240 -8.920 59 H ASP 8 HN ASP 8 2.876 -6.942 -8.216 60 HA ASP 8 HA ASP 8 3.613 -8.117 -5.784 61 1HB ASP 8 HB2 ASP 8 3.699 -6.136 -4.315 62 2HB ASP 8 HB1 ASP 8 5.065 -6.202 -5.410 63 H ASP 9 HN ASP 9 1.747 -5.592 -7.352 64 HA ASP 9 HA ASP 9 -0.465 -5.471 -7.818 65 1HB ASP 9 HB2 ASP 9 -0.571 -7.897 -8.063 66 2HB ASP 9 HB1 ASP 9 -0.677 -8.087 -6.309 67 H ILE 10 HN ILE 10 -1.304 -3.760 -6.860 68 HA ILE 10 HA ILE 10 -2.847 -2.671 -5.757 69 HB ILE 10 HB ILE 10 -4.274 -4.616 -5.554 70 1HG1 ILE 10 HG12 ILE 10 -5.524 -3.963 -3.549 71 2HG1 ILE 10 HG11 ILE 10 -4.111 -3.076 -2.972 72 1HG2 ILE 10 HG21 ILE 10 -4.281 -6.137 -3.752 73 2HG2 ILE 10 HG22 ILE 10 -2.939 -5.284 -2.964 74 3HG2 ILE 10 HG23 ILE 10 -2.670 -6.120 -4.490 75 1HD1 ILE 10 HD11 ILE 10 -5.631 -2.445 -5.496 76 2HD1 ILE 10 HD12 ILE 10 -4.272 -1.547 -4.837 77 3HD1 ILE 10 HD13 ILE 10 -5.794 -1.604 -3.944 78 H GLN 11 HN GLN 11 -1.381 -1.333 -5.181 79 HA GLN 11 HA GLN 11 -0.016 -1.587 -2.617 80 1HB GLN 11 HB2 GLN 11 0.176 0.633 -4.666 81 2HB GLN 11 HB1 GLN 11 1.222 0.412 -3.266 82 1HG GLN 11 HG2 GLN 11 2.512 -0.434 -4.960 83 2HG GLN 11 HG1 GLN 11 1.730 -1.895 -4.348 84 1HE2 GLN 11 HE21 GLN 11 1.980 -3.001 -6.249 85 2HE2 GLN 11 HE22 GLN 11 1.063 -2.612 -7.694 86 H PHE 12 HN PHE 12 -0.075 -0.001 -1.058 87 HA PHE 12 HA PHE 12 -2.469 1.708 -1.015 88 1HB PHE 12 HB2 PHE 12 -1.449 -0.079 1.207 89 2HB PHE 12 HB1 PHE 12 -2.636 1.183 1.447 90 HD1 PHE 12 HD1 PHE 12 -2.002 -2.148 0.121 91 HD2 PHE 12 HD2 PHE 12 -4.888 0.939 0.559 92 HE1 PHE 12 HE1 PHE 12 -3.783 -3.744 -0.482 93 HE2 PHE 12 HE2 PHE 12 -6.688 -0.652 -0.023 94 HZ PHE 12 HZ PHE 12 -6.121 -2.985 -0.548 95 H GLN 13 HN GLN 13 -2.222 3.136 1.064 96 HA GLN 13 HA GLN 13 0.494 3.974 1.581 97 1HB GLN 13 HB2 GLN 13 -0.008 6.351 1.051 98 2HB GLN 13 HB1 GLN 13 0.016 5.313 -0.374 99 1HG GLN 13 HG2 GLN 13 -2.451 5.205 -0.271 100 2HG GLN 13 HG1 GLN 13 -2.419 6.364 1.057 101 1HE2 GLN 13 HE21 GLN 13 -3.629 6.574 -1.610 102 2HE2 GLN 13 HE22 GLN 13 -2.934 8.005 -2.313 103 H VAL 14 HN VAL 14 0.599 5.446 3.418 104 HA VAL 14 HA VAL 14 -1.619 4.911 5.234 105 HB VAL 14 HB VAL 14 1.176 5.846 5.897 106 1HG1 VAL 14 HG11 VAL 14 -1.005 4.726 7.663 107 2HG1 VAL 14 HG12 VAL 14 -0.540 6.420 7.563 108 3HG1 VAL 14 HG13 VAL 14 0.600 5.232 8.177 109 1HG2 VAL 14 HG21 VAL 14 1.587 3.542 6.627 110 2HG2 VAL 14 HG22 VAL 14 1.239 3.627 4.904 111 3HG2 VAL 14 HG23 VAL 14 -0.007 3.052 6.019 112 H VAL 15 HN VAL 15 -2.932 6.508 5.820 113 HA VAL 15 HA VAL 15 -2.062 9.249 5.244 114 HB VAL 15 HB VAL 15 -4.426 9.815 4.815 115 1HG1 VAL 15 HG11 VAL 15 -2.957 9.276 2.936 116 2HG1 VAL 15 HG12 VAL 15 -4.604 8.758 2.611 117 3HG1 VAL 15 HG13 VAL 15 -3.384 7.569 3.083 118 1HG2 VAL 15 HG21 VAL 15 -6.061 8.000 4.447 119 2HG2 VAL 15 HG22 VAL 15 -5.508 8.091 6.112 120 3HG2 VAL 15 HG23 VAL 15 -4.878 6.843 5.037 121 H VAL 16 HN VAL 16 -3.237 10.877 6.564 122 HA VAL 16 HA VAL 16 -3.844 9.837 9.261 123 HB VAL 16 HB VAL 16 -1.528 10.705 9.145 124 1HG1 VAL 16 HG11 VAL 16 -2.820 13.360 8.611 125 2HG1 VAL 16 HG12 VAL 16 -1.800 12.463 7.501 126 3HG1 VAL 16 HG13 VAL 16 -1.132 13.104 9.008 127 1HG2 VAL 16 HG21 VAL 16 -3.425 12.272 10.891 128 2HG2 VAL 16 HG22 VAL 16 -1.684 12.127 11.150 129 3HG2 VAL 16 HG23 VAL 16 -2.711 10.694 11.251 130 H ASN 17 HN ASN 17 -5.390 10.927 10.410 131 HA ASN 17 HA ASN 17 -7.062 12.821 8.977 132 1HB ASN 17 HB2 ASN 17 -7.840 10.735 10.365 133 2HB ASN 17 HB1 ASN 17 -7.591 11.774 11.753 134 1HD2 ASN 17 HD21 ASN 17 -10.034 10.582 10.745 135 2HD2 ASN 17 HD22 ASN 17 -11.121 11.900 10.451 136 H HIS 18 HN HIS 18 -8.045 14.501 10.801 137 HA HIS 18 HA HIS 18 -5.793 16.217 11.336 138 1HB HIS 18 HB2 HIS 18 -8.720 16.619 12.002 139 2HB HIS 18 HB1 HIS 18 -7.473 17.857 12.083 140 HD1 HIS 18 HD1 HIS 18 -6.307 18.387 9.664 141 HD2 HIS 18 HD2 HIS 18 -10.028 16.491 9.660 142 HE1 HIS 18 HE1 HIS 18 -7.247 18.726 7.351 143 HE2 HIS 18 HE2 HIS 18 -9.565 17.733 7.427 144 H GLU 19 HN GLU 19 -7.140 13.724 13.013 145 HA GLU 19 HA GLU 19 -6.490 14.892 15.646 146 1HB GLU 19 HB2 GLU 19 -8.022 12.364 14.978 147 2HB GLU 19 HB1 GLU 19 -7.621 12.907 16.600 148 1HG GLU 19 HG2 GLU 19 -9.881 13.458 16.122 149 2HG GLU 19 HG1 GLU 19 -8.921 14.946 16.221 150 H GLU 20 HN GLU 20 -4.891 13.535 13.315 151 HA GLU 20 HA GLU 20 -2.945 12.449 13.094 152 1HB GLU 20 HB2 GLU 20 -2.364 13.656 15.264 153 2HB GLU 20 HB1 GLU 20 -2.814 12.160 16.092 154 1HG GLU 20 HG2 GLU 20 -1.043 10.963 14.977 155 2HG GLU 20 HG1 GLU 20 -0.630 12.391 14.012 156 H GLN 21 HN GLN 21 -5.647 11.242 13.562 157 HA GLN 21 HA GLN 21 -5.114 8.512 14.214 158 1HB GLN 21 HB2 GLN 21 -7.411 9.713 12.683 159 2HB GLN 21 HB1 GLN 21 -7.367 8.083 13.335 160 1HG GLN 21 HG2 GLN 21 -7.239 9.006 15.609 161 2HG GLN 21 HG1 GLN 21 -7.330 10.637 14.934 162 1HE2 GLN 21 HE21 GLN 21 -9.225 9.872 12.868 163 2HE2 GLN 21 HE22 GLN 21 -10.745 9.659 13.656 164 H TYR 22 HN TYR 22 -4.315 6.948 12.928 165 HA TYR 22 HA TYR 22 -3.721 7.740 10.153 166 1HB TYR 22 HB2 TYR 22 -2.401 5.745 12.004 167 2HB TYR 22 HB1 TYR 22 -2.022 5.830 10.302 168 HD1 TYR 22 HD1 TYR 22 -1.023 7.969 9.386 169 HD2 TYR 22 HD2 TYR 22 -1.420 7.232 13.566 170 HE1 TYR 22 HE1 TYR 22 0.650 9.712 9.847 171 HE2 TYR 22 HE2 TYR 22 0.248 8.973 14.037 172 HH TYR 22 HH TYR 22 1.282 11.203 11.729 173 H SER 23 HN SER 23 -4.260 6.447 8.430 174 HA SER 23 HA SER 23 -5.333 3.789 8.919 175 1HB SER 23 HB2 SER 23 -7.278 5.404 9.064 176 2HB SER 23 HB1 SER 23 -6.953 5.846 7.399 177 HG SER 23 HG SER 23 -8.504 4.278 7.342 178 H ILE 24 HN ILE 24 -6.002 2.912 6.563 179 HA ILE 24 HA ILE 24 -3.738 3.642 4.820 180 HB ILE 24 HB ILE 24 -3.889 1.334 3.902 181 1HG1 ILE 24 HG12 ILE 24 -5.735 0.803 6.217 182 2HG1 ILE 24 HG11 ILE 24 -6.255 0.914 4.536 183 1HG2 ILE 24 HG21 ILE 24 -3.428 1.473 6.868 184 2HG2 ILE 24 HG22 ILE 24 -2.262 1.895 5.605 185 3HG2 ILE 24 HG23 ILE 24 -2.816 0.232 5.778 186 1HD1 ILE 24 HD11 ILE 24 -4.842 -1.013 3.993 187 2HD1 ILE 24 HD12 ILE 24 -6.048 -1.384 5.215 188 3HD1 ILE 24 HD13 ILE 24 -4.370 -1.147 5.692 189 H TRP 25 HN TRP 25 -4.034 3.808 2.656 190 HA TRP 25 HA TRP 25 -6.748 3.654 1.599 191 1HB TRP 25 HB2 TRP 25 -6.353 5.986 2.409 192 2HB TRP 25 HB1 TRP 25 -4.962 6.081 1.326 193 HD1 TRP 25 HD1 TRP 25 -5.410 6.753 -1.158 194 HE1 TRP 25 HE1 TRP 25 -7.537 7.348 -2.490 195 HE3 TRP 25 HE3 TRP 25 -8.961 5.390 2.274 196 HZ2 TRP 25 HZ2 TRP 25 -10.305 7.292 -2.137 197 HZ3 TRP 25 HZ3 TRP 25 -11.317 5.706 1.695 198 HH2 TRP 25 HH2 TRP 25 -11.978 6.648 -0.457 199 HA PRO 26 HA PRO 26 -4.592 1.747 -1.813 200 1HB PRO 26 HB2 PRO 26 -6.525 3.203 -3.541 201 2HB PRO 26 HB1 PRO 26 -6.118 1.483 -3.501 202 1HG PRO 26 HG2 PRO 26 -8.410 2.384 -2.455 203 2HG PRO 26 HG1 PRO 26 -7.537 1.044 -1.717 204 1HD PRO 26 HD2 PRO 26 -7.745 3.877 -0.846 205 2HD PRO 26 HD1 PRO 26 -7.585 2.411 0.141 206 H GLU 27 HN GLU 27 -2.770 2.395 -2.796 207 HA GLU 27 HA GLU 27 -1.965 5.079 -2.611 208 1HB GLU 27 HB2 GLU 27 -0.470 3.084 -2.481 209 2HB GLU 27 HB1 GLU 27 -0.685 2.859 -4.213 210 1HG GLU 27 HG2 GLU 27 0.223 5.514 -3.437 211 2HG GLU 27 HG1 GLU 27 1.348 4.211 -3.043 212 H TYR 28 HN TYR 28 -3.371 3.261 -5.214 213 HA TYR 28 HA TYR 28 -2.648 5.179 -7.223 214 1HB TYR 28 HB2 TYR 28 -3.722 3.708 -8.781 215 2HB TYR 28 HB1 TYR 28 -2.774 2.717 -7.691 216 HD1 TYR 28 HD1 TYR 28 -4.051 1.660 -5.665 217 HD2 TYR 28 HD2 TYR 28 -5.966 3.226 -9.149 218 HE1 TYR 28 HE1 TYR 28 -6.050 0.291 -5.195 219 HE2 TYR 28 HE2 TYR 28 -7.951 1.880 -8.663 220 HH TYR 28 HH TYR 28 -8.509 -0.220 -7.427 221 H LYS 29 HN LYS 29 -5.109 5.001 -4.945 222 HA LYS 29 HA LYS 29 -7.106 6.301 -6.680 223 1HB LYS 29 HB2 LYS 29 -7.250 5.006 -3.956 224 2HB LYS 29 HB1 LYS 29 -8.516 6.112 -4.511 225 1HG LYS 29 HG2 LYS 29 -8.902 4.634 -6.445 226 2HG LYS 29 HG1 LYS 29 -7.657 3.536 -5.846 227 1HD LYS 29 HD2 LYS 29 -8.934 3.137 -3.827 228 2HD LYS 29 HD1 LYS 29 -10.161 4.303 -4.352 229 1HE LYS 29 HE2 LYS 29 -9.413 1.804 -5.866 230 2HE LYS 29 HE1 LYS 29 -10.726 1.898 -4.695 231 1HZ LYS 29 HZ1 LYS 29 -11.859 3.505 -6.041 232 2HZ LYS 29 HZ2 LYS 29 -11.470 2.173 -7.028 233 3HZ LYS 29 HZ3 LYS 29 -10.556 3.596 -7.130 234 H GLU 30 HN GLU 30 -8.193 8.239 -5.892 235 HA GLU 30 HA GLU 30 -6.231 10.101 -4.886 236 1HB GLU 30 HB2 GLU 30 -7.742 10.682 -6.732 237 2HB GLU 30 HB1 GLU 30 -9.129 10.513 -5.675 238 1HG GLU 30 HG2 GLU 30 -8.286 12.346 -4.292 239 2HG GLU 30 HG1 GLU 30 -6.897 12.512 -5.376 240 H ILE 31 HN ILE 31 -6.133 10.902 -2.883 241 HA ILE 31 HA ILE 31 -7.668 9.747 -0.778 242 HB ILE 31 HB ILE 31 -5.747 12.092 -0.670 243 1HG1 ILE 31 HG12 ILE 31 -5.190 9.156 -0.137 244 2HG1 ILE 31 HG11 ILE 31 -4.735 10.019 -1.620 245 1HG2 ILE 31 HG21 ILE 31 -7.162 11.947 1.293 246 2HG2 ILE 31 HG22 ILE 31 -5.505 11.522 1.691 247 3HG2 ILE 31 HG23 ILE 31 -6.720 10.257 1.523 248 1HD1 ILE 31 HD11 ILE 31 -2.830 9.826 -0.167 249 2HD1 ILE 31 HD12 ILE 31 -3.722 10.559 1.171 250 3HD1 ILE 31 HD13 ILE 31 -3.318 11.519 -0.253 251 HA PRO 32 HA PRO 32 -11.007 12.709 -0.655 252 1HB PRO 32 HB2 PRO 32 -11.088 12.031 2.224 253 2HB PRO 32 HB1 PRO 32 -12.361 11.900 1.009 254 1HG PRO 32 HG2 PRO 32 -11.131 9.736 1.976 255 2HG PRO 32 HG1 PRO 32 -11.655 9.829 0.279 256 1HD PRO 32 HD2 PRO 32 -8.902 10.126 1.435 257 2HD PRO 32 HD1 PRO 32 -9.426 9.367 -0.088 258 H GLN 33 HN GLN 33 -11.331 14.854 0.110 259 HA GLN 33 HA GLN 33 -8.870 16.058 0.997 260 1HB GLN 33 HB2 GLN 33 -10.671 16.955 -0.760 261 2HB GLN 33 HB1 GLN 33 -11.342 17.692 0.696 262 1HG GLN 33 HG2 GLN 33 -8.463 18.033 -0.127 263 2HG GLN 33 HG1 GLN 33 -9.747 19.121 -0.646 264 1HE2 GLN 33 HE21 GLN 33 -10.625 20.554 0.813 265 2HE2 GLN 33 HE22 GLN 33 -9.939 20.841 2.377 266 H GLY 34 HN GLY 34 -8.486 15.658 2.997 267 1HA GLY 34 HA2 GLY 34 -9.403 16.850 5.225 268 2HA GLY 34 HA1 GLY 34 -10.546 15.518 5.015 269 H TRP 35 HN TRP 35 -8.420 13.910 3.706 270 HA TRP 35 HA TRP 35 -6.834 13.193 6.063 271 1HB TRP 35 HB2 TRP 35 -7.559 11.567 3.597 272 2HB TRP 35 HB1 TRP 35 -6.493 11.014 4.896 273 HD1 TRP 35 HD1 TRP 35 -10.200 11.982 4.297 274 HE1 TRP 35 HE1 TRP 35 -11.631 10.726 6.033 275 HE3 TRP 35 HE3 TRP 35 -6.468 9.832 7.060 276 HZ2 TRP 35 HZ2 TRP 35 -11.236 9.057 8.269 277 HZ3 TRP 35 HZ3 TRP 35 -7.090 8.421 8.974 278 HH2 TRP 35 HH2 TRP 35 -9.416 8.048 9.558 279 H ARG 36 HN ARG 36 -4.596 12.972 5.842 280 HA ARG 36 HA ARG 36 -3.499 13.939 3.290 281 1HB ARG 36 HB2 ARG 36 -3.414 15.717 4.968 282 2HB ARG 36 HB1 ARG 36 -2.576 14.648 6.085 283 1HG ARG 36 HG2 ARG 36 -1.087 16.265 5.002 284 2HG ARG 36 HG1 ARG 36 -0.638 14.589 4.643 285 1HD ARG 36 HD2 ARG 36 -0.503 16.008 2.652 286 2HD ARG 36 HD1 ARG 36 -1.730 14.755 2.478 287 HE ARG 36 HE ARG 36 -2.567 17.426 3.316 288 1HH1 ARG 36 HH11 ARG 36 -2.378 14.978 0.811 289 2HH1 ARG 36 HH12 ARG 36 -3.584 15.743 -0.192 290 1HH2 ARG 36 HH21 ARG 36 -4.161 18.415 1.990 291 2HH2 ARG 36 HH22 ARG 36 -4.592 17.687 0.465 292 H ALA 37 HN ALA 37 -1.651 12.882 2.556 293 HA ALA 37 HA ALA 37 -1.186 10.301 3.687 294 1HB ALA 37 HB1 ALA 37 0.324 11.721 1.495 295 2HB ALA 37 HB2 ALA 37 -1.033 10.611 1.277 296 3HB ALA 37 HB3 ALA 37 0.491 10.008 1.927 297 H ALA 38 HN ALA 38 0.307 9.729 5.148 298 HA ALA 38 HA ALA 38 2.387 11.702 5.801 299 1HB ALA 38 HB1 ALA 38 0.545 12.128 7.337 300 2HB ALA 38 HB2 ALA 38 1.937 11.473 8.203 301 3HB ALA 38 HB3 ALA 38 0.548 10.440 7.849 302 H GLY 39 HN GLY 39 1.410 8.510 5.363 303 1HA GLY 39 HA2 GLY 39 3.824 7.470 6.685 304 2HA GLY 39 HA1 GLY 39 2.361 6.535 6.373 305 H LYS 40 HN LYS 40 4.304 5.205 5.502 306 HA LYS 40 HA LYS 40 5.255 6.010 2.913 307 1HB LYS 40 HB2 LYS 40 6.459 3.915 2.907 308 2HB LYS 40 HB1 LYS 40 6.629 4.682 4.484 309 1HG LYS 40 HG2 LYS 40 4.998 3.185 5.430 310 2HG LYS 40 HG1 LYS 40 4.700 2.465 3.855 311 1HD LYS 40 HD2 LYS 40 7.328 2.380 5.353 312 2HD LYS 40 HD1 LYS 40 6.181 1.039 5.197 313 1HE LYS 40 HE2 LYS 40 6.484 1.108 2.765 314 2HE LYS 40 HE1 LYS 40 7.661 2.409 2.958 315 1HZ LYS 40 HZ1 LYS 40 7.902 -0.348 4.009 316 2HZ LYS 40 HZ2 LYS 40 9.017 0.889 4.307 317 3HZ LYS 40 HZ3 LYS 40 8.789 0.307 2.727 318 H SER 41 HN SER 41 5.102 4.383 1.090 319 HA SER 41 HA SER 41 2.361 3.304 0.915 320 1HB SER 41 HB2 SER 41 3.946 4.373 -1.435 321 2HB SER 41 HB1 SER 41 2.209 4.005 -1.348 322 HG SER 41 HG SER 41 3.315 5.912 0.395 323 H GLY 42 HN GLY 42 2.097 1.365 -0.238 324 1HA GLY 42 HA2 GLY 42 3.783 -0.089 -1.767 325 2HA GLY 42 HA1 GLY 42 4.387 -0.377 -0.139 326 H LEU 43 HN LEU 43 3.814 -2.567 -0.212 327 HA LEU 43 HA LEU 43 1.227 -3.508 -0.857 328 1HB LEU 43 HB2 LEU 43 3.480 -4.689 0.779 329 2HB LEU 43 HB1 LEU 43 1.971 -5.532 0.533 330 HG LEU 43 HG LEU 43 3.544 -6.409 -1.012 331 1HD1 LEU 43 HD11 LEU 43 2.471 -5.938 -3.146 332 2HD1 LEU 43 HD12 LEU 43 1.677 -4.536 -2.432 333 3HD1 LEU 43 HD13 LEU 43 1.281 -6.156 -1.867 334 1HD2 LEU 43 HD21 LEU 43 5.125 -4.534 -1.013 335 2HD2 LEU 43 HD22 LEU 43 4.012 -3.595 -2.007 336 3HD2 LEU 43 HD23 LEU 43 4.746 -5.083 -2.635 337 H LYS 44 HN LYS 44 -0.269 -4.531 0.752 338 HA LYS 44 HA LYS 44 -1.122 -2.557 2.526 339 1HB LYS 44 HB2 LYS 44 -2.624 -4.165 1.430 340 2HB LYS 44 HB1 LYS 44 -1.966 -5.448 2.440 341 1HG LYS 44 HG2 LYS 44 -2.792 -4.298 4.435 342 2HG LYS 44 HG1 LYS 44 -3.467 -3.024 3.405 343 1HD LYS 44 HD2 LYS 44 -4.916 -4.709 2.327 344 2HD LYS 44 HD1 LYS 44 -4.244 -5.950 3.381 345 1HE LYS 44 HE2 LYS 44 -5.096 -4.761 5.345 346 2HE LYS 44 HE1 LYS 44 -5.724 -3.480 4.308 347 1HZ LYS 44 HZ1 LYS 44 -6.608 -6.316 4.314 348 2HZ LYS 44 HZ2 LYS 44 -7.177 -5.129 3.239 349 3HZ LYS 44 HZ3 LYS 44 -7.500 -4.988 4.905 350 H LYS 45 HN LYS 45 0.385 -5.733 3.107 351 HA LYS 45 HA LYS 45 0.350 -5.592 5.890 352 1HB LYS 45 HB2 LYS 45 1.974 -7.402 5.808 353 2HB LYS 45 HB1 LYS 45 0.698 -7.676 4.636 354 1HG LYS 45 HG2 LYS 45 2.511 -8.256 3.404 355 2HG LYS 45 HG1 LYS 45 2.397 -6.544 2.994 356 1HD LYS 45 HD2 LYS 45 4.084 -6.019 4.686 357 2HD LYS 45 HD1 LYS 45 4.212 -7.726 5.097 358 1HE LYS 45 HE2 LYS 45 4.826 -6.516 2.397 359 2HE LYS 45 HE1 LYS 45 6.019 -6.984 3.614 360 1HZ LYS 45 HZ1 LYS 45 5.874 -8.709 2.029 361 2HZ LYS 45 HZ2 LYS 45 4.183 -8.770 2.124 362 3HZ LYS 45 HZ3 LYS 45 5.118 -9.283 3.446 363 H ASP 46 HN ASP 46 2.576 -4.338 3.532 364 HA ASP 46 HA ASP 46 4.669 -3.638 5.266 365 1HB ASP 46 HB2 ASP 46 4.988 -3.898 2.843 366 2HB ASP 46 HB1 ASP 46 3.935 -2.531 2.543 367 H CYS 47 HN CYS 47 1.809 -1.984 4.070 368 HA CYS 47 HA CYS 47 2.385 0.497 5.302 369 1HB CYS 47 HB2 CYS 47 -0.243 -0.715 4.400 370 2HB CYS 47 HB1 CYS 47 -0.019 0.969 4.863 371 HG CYS 47 HG CYS 47 1.207 -0.620 2.105 372 H LEU 48 HN LEU 48 0.525 -2.377 6.255 373 HA LEU 48 HA LEU 48 -0.495 -1.430 8.681 374 1HB LEU 48 HB2 LEU 48 0.392 -4.235 7.992 375 2HB LEU 48 HB1 LEU 48 -0.658 -3.785 9.319 376 HG LEU 48 HG LEU 48 -1.299 -3.492 6.380 377 1HD1 LEU 48 HD11 LEU 48 -1.321 -5.813 7.131 378 2HD1 LEU 48 HD12 LEU 48 -2.965 -5.238 6.843 379 3HD1 LEU 48 HD13 LEU 48 -2.353 -5.376 8.482 380 1HD2 LEU 48 HD21 LEU 48 -2.960 -2.908 8.840 381 2HD2 LEU 48 HD22 LEU 48 -3.552 -2.889 7.176 382 3HD2 LEU 48 HD23 LEU 48 -2.350 -1.716 7.701 383 H ALA 49 HN ALA 49 2.526 -3.040 7.903 384 HA ALA 49 HA ALA 49 3.669 -3.217 10.407 385 1HB ALA 49 HB1 ALA 49 5.071 -2.701 7.794 386 2HB ALA 49 HB2 ALA 49 4.644 -4.277 8.441 387 3HB ALA 49 HB3 ALA 49 5.826 -3.274 9.270 388 H TYR 50 HN TYR 50 3.689 -0.555 8.104 389 HA TYR 50 HA TYR 50 5.257 1.256 9.478 390 1HB TYR 50 HB2 TYR 50 4.471 1.680 7.194 391 2HB TYR 50 HB1 TYR 50 2.825 1.873 7.806 392 HD1 TYR 50 HD1 TYR 50 6.163 3.405 7.615 393 HD2 TYR 50 HD2 TYR 50 2.156 3.906 8.973 394 HE1 TYR 50 HE1 TYR 50 6.592 5.805 7.990 395 HE2 TYR 50 HE2 TYR 50 2.585 6.312 9.362 396 HH TYR 50 HH TYR 50 4.441 7.844 9.710 397 H ILE 51 HN ILE 51 1.802 0.585 9.885 398 HA ILE 51 HA ILE 51 1.236 2.731 11.600 399 HB ILE 51 HB ILE 51 -0.110 0.179 10.910 400 1HG1 ILE 51 HG12 ILE 51 -2.015 1.723 10.523 401 2HG1 ILE 51 HG11 ILE 51 -1.011 3.068 11.057 402 1HG2 ILE 51 HG21 ILE 51 -0.895 1.787 13.351 403 2HG2 ILE 51 HG22 ILE 51 -0.327 0.106 13.300 404 3HG2 ILE 51 HG23 ILE 51 -1.873 0.527 12.588 405 1HD1 ILE 51 HD11 ILE 51 -1.149 2.926 8.633 406 2HD1 ILE 51 HD12 ILE 51 -0.472 1.301 8.692 407 3HD1 ILE 51 HD13 ILE 51 0.506 2.677 9.202 408 H GLU 52 HN GLU 52 2.516 -0.457 12.177 409 HA GLU 52 HA GLU 52 2.356 -0.515 14.957 410 1HB GLU 52 HB2 GLU 52 2.849 -2.463 13.545 411 2HB GLU 52 HB1 GLU 52 4.427 -1.793 13.185 412 1HG GLU 52 HG2 GLU 52 4.598 -3.517 14.910 413 2HG GLU 52 HG1 GLU 52 5.019 -1.929 15.555 414 H GLU 53 HN GLU 53 4.879 0.712 12.807 415 HA GLU 53 HA GLU 53 6.961 1.102 14.481 416 1HB GLU 53 HB2 GLU 53 6.096 3.100 12.399 417 2HB GLU 53 HB1 GLU 53 7.724 2.931 13.061 418 1HG GLU 53 HG2 GLU 53 6.313 0.736 11.598 419 2HG GLU 53 HG1 GLU 53 7.348 1.932 10.801 420 H VAL 54 HN VAL 54 4.909 4.504 15.596 421 HA VAL 54 HA VAL 54 4.214 3.096 13.153 422 HB VAL 54 HB VAL 54 2.301 3.839 14.328 423 1HG1 VAL 54 HG11 VAL 54 1.928 6.111 15.093 424 2HG1 VAL 54 HG12 VAL 54 3.486 6.621 14.404 425 3HG1 VAL 54 HG13 VAL 54 3.442 5.498 15.758 426 1HG2 VAL 54 HG21 VAL 54 1.263 5.452 12.801 427 2HG2 VAL 54 HG22 VAL 54 2.159 4.216 11.929 428 3HG2 VAL 54 HG23 VAL 54 2.847 5.824 12.124 429 H TRP 55 HN TRP 55 5.378 6.331 14.127 430 HA TRP 55 HA TRP 55 6.143 6.880 11.386 431 1HB TRP 55 HB2 TRP 55 5.298 8.671 13.002 432 2HB TRP 55 HB1 TRP 55 6.865 8.527 13.801 433 HD1 TRP 55 HD1 TRP 55 5.247 9.849 10.631 434 HE1 TRP 55 HE1 TRP 55 6.938 11.350 9.373 435 HE3 TRP 55 HE3 TRP 55 9.391 8.889 13.438 436 HZ2 TRP 55 HZ2 TRP 55 9.665 12.020 9.559 437 HZ3 TRP 55 HZ3 TRP 55 11.504 10.003 12.836 438 HH2 TRP 55 HH2 TRP 55 11.633 11.531 10.941 439 H THR 56 HN THR 56 7.494 5.983 14.417 440 HA THR 56 HA THR 56 9.849 4.892 13.225 441 HB THR 56 HB THR 56 10.559 7.235 13.453 442 HG1 THR 56 HG1 THR 56 12.186 5.688 13.790 443 1HG2 THR 56 HG21 THR 56 10.032 6.869 16.402 444 2HG2 THR 56 HG22 THR 56 9.072 7.869 15.314 445 3HG2 THR 56 HG23 THR 56 10.753 8.285 15.643 446 H ASP 57 HN ASP 57 10.741 3.296 14.576 447 HA ASP 57 HA ASP 57 8.866 2.507 16.649 448 1HB ASP 57 HB2 ASP 57 9.899 0.337 16.606 449 2HB ASP 57 HB1 ASP 57 9.609 0.863 14.957 450 H MET 58 HN MET 58 9.285 2.263 18.762 451 HA MET 58 HA MET 58 11.461 3.839 19.844 452 1HB MET 58 HB2 MET 58 10.351 3.330 22.024 453 2HB MET 58 HB1 MET 58 9.305 4.116 20.861 454 1HG MET 58 HG2 MET 58 8.290 1.933 20.340 455 2HG MET 58 HG1 MET 58 9.310 1.178 21.560 456 1HE MET 58 HE1 MET 58 6.431 3.687 20.824 457 2HE MET 58 HE2 MET 58 7.539 4.717 21.727 458 3HE MET 58 HE3 MET 58 5.989 4.261 22.438 459 H ARG 59 HN ARG 59 13.285 2.710 19.383 460 HA ARG 59 HA ARG 59 14.952 1.182 19.550 461 1HB ARG 59 HB2 ARG 59 13.421 0.006 21.880 462 2HB ARG 59 HB1 ARG 59 15.104 -0.310 21.457 463 1HG ARG 59 HG2 ARG 59 13.936 2.289 22.438 464 2HG ARG 59 HG1 ARG 59 15.060 1.222 23.279 465 1HD ARG 59 HD2 ARG 59 15.654 2.703 20.716 466 2HD ARG 59 HD1 ARG 59 16.180 3.193 22.333 467 HE ARG 59 HE ARG 59 17.397 0.992 22.353 468 1HH1 ARG 59 HH11 ARG 59 16.691 2.768 19.398 469 2HH1 ARG 59 HH12 ARG 59 18.020 2.080 18.506 470 1HH2 ARG 59 HH21 ARG 59 19.207 0.151 21.204 471 2HH2 ARG 59 HH22 ARG 59 19.464 0.609 19.536 472 HA PRO 60 HA PRO 60 13.818 -1.614 16.523 473 1HB PRO 60 HB2 PRO 60 15.431 -3.799 17.273 474 2HB PRO 60 HB1 PRO 60 15.836 -2.513 16.136 475 1HG PRO 60 HG2 PRO 60 16.571 -2.789 18.998 476 2HG PRO 60 HG1 PRO 60 17.471 -2.039 17.672 477 1HD PRO 60 HD2 PRO 60 16.259 -0.528 19.498 478 2HD PRO 60 HD1 PRO 60 16.256 -0.056 17.784 479 H LEU 61 HN LEU 61 11.656 -1.976 17.206 480 HA LEU 61 HA LEU 61 11.172 -4.356 18.760 481 1HB LEU 61 HB2 LEU 61 8.757 -3.743 18.359 482 2HB LEU 61 HB1 LEU 61 9.710 -2.628 19.314 483 HG LEU 61 HG LEU 61 9.957 -1.278 17.163 484 1HD1 LEU 61 HD11 LEU 61 8.171 -1.589 15.503 485 2HD1 LEU 61 HD12 LEU 61 7.664 -3.065 16.322 486 3HD1 LEU 61 HD13 LEU 61 9.260 -2.986 15.559 487 1HD2 LEU 61 HD21 LEU 61 8.570 -0.519 18.983 488 2HD2 LEU 61 HD22 LEU 61 7.271 -1.593 18.452 489 3HD2 LEU 61 HD23 LEU 61 7.736 -0.213 17.449 490 H SER 62 HN SER 62 12.146 -3.917 15.751 491 HA SER 62 HA SER 62 10.191 -5.214 14.134 492 1HB SER 62 HB2 SER 62 13.161 -4.847 13.710 493 2HB SER 62 HB1 SER 62 12.000 -5.291 12.467 494 HG SER 62 HG SER 62 10.992 -3.320 12.708 495 H LEU 63 HN LEU 63 12.527 -6.516 16.334 496 HA LEU 63 HA LEU 63 12.261 -9.123 15.014 497 1HB LEU 63 HB2 LEU 63 14.171 -9.859 16.345 498 2HB LEU 63 HB1 LEU 63 14.553 -8.458 15.362 499 HG LEU 63 HG LEU 63 13.799 -8.119 18.236 500 1HD1 LEU 63 HD11 LEU 63 16.550 -8.736 17.184 501 2HD1 LEU 63 HD12 LEU 63 15.586 -9.795 18.200 502 3HD1 LEU 63 HD13 LEU 63 16.173 -8.268 18.834 503 1HD2 LEU 63 HD21 LEU 63 13.953 -6.153 16.795 504 2HD2 LEU 63 HD22 LEU 63 15.611 -6.572 16.405 505 3HD2 LEU 63 HD23 LEU 63 15.179 -6.122 18.054 506 H ARG 64 HN ARG 64 11.163 -7.353 17.712 507 HA ARG 64 HA ARG 64 10.595 -9.792 19.221 508 1HB ARG 64 HB2 ARG 64 10.125 -8.304 21.116 509 2HB ARG 64 HB1 ARG 64 11.724 -8.010 20.424 510 1HG ARG 64 HG2 ARG 64 10.852 -6.056 19.269 511 2HG ARG 64 HG1 ARG 64 9.267 -6.320 19.990 512 1HD ARG 64 HD2 ARG 64 11.819 -5.792 21.493 513 2HD ARG 64 HD1 ARG 64 10.567 -4.598 21.178 514 HE ARG 64 HE ARG 64 9.091 -6.173 22.507 515 1HH1 ARG 64 HH11 ARG 64 12.536 -5.877 23.043 516 2HH1 ARG 64 HH12 ARG 64 12.442 -6.355 24.708 517 1HH2 ARG 64 HH21 ARG 64 8.955 -6.821 24.701 518 2HH2 ARG 64 HH22 ARG 64 10.419 -6.887 25.655 519 H GLN 65 HN GLN 65 9.003 -7.009 17.704 520 HA GLN 65 HA GLN 65 6.846 -6.487 17.282 521 1HB GLN 65 HB2 GLN 65 6.810 -9.478 17.148 522 2HB GLN 65 HB1 GLN 65 5.269 -8.615 17.124 523 1HG GLN 65 HG2 GLN 65 5.922 -9.008 14.863 524 2HG GLN 65 HG1 GLN 65 6.130 -7.285 15.184 525 1HE2 GLN 65 HE21 GLN 65 7.617 -7.001 13.563 526 2HE2 GLN 65 HE22 GLN 65 9.223 -7.672 13.653 527 H HIS 66 HN HIS 66 4.443 -6.964 18.047 528 HA HIS 66 HA HIS 66 4.497 -6.831 20.982 529 1HB HIS 66 HB2 HIS 66 2.326 -6.292 18.921 530 2HB HIS 66 HB1 HIS 66 2.033 -6.276 20.662 531 HD1 HIS 66 HD1 HIS 66 1.662 -3.847 21.135 532 HD2 HIS 66 HD2 HIS 66 5.024 -4.512 18.763 533 HE1 HIS 66 HE1 HIS 66 2.734 -1.598 20.835 534 HE2 HIS 66 HE2 HIS 66 4.602 -1.980 19.202 535 H MET 67 HN MET 67 4.370 -9.136 18.709 536 HA MET 67 HA MET 67 2.466 -10.880 20.075 537 1HB MET 67 HB2 MET 67 3.932 -11.278 17.460 538 2HB MET 67 HB1 MET 67 2.709 -12.354 18.128 539 1HG MET 67 HG2 MET 67 1.613 -11.081 16.488 540 2HG MET 67 HG1 MET 67 1.128 -10.402 18.032 541 1HE MET 67 HE1 MET 67 0.661 -8.920 15.277 542 2HE MET 67 HE2 MET 67 1.168 -7.284 15.674 543 3HE MET 67 HE3 MET 67 0.237 -8.219 16.849 544 H ASP 68 HN ASP 68 4.823 -10.195 21.405 545 HA ASP 68 HA ASP 68 7.077 -11.690 21.104 546 1HB ASP 68 HB2 ASP 68 7.005 -9.959 22.730 547 2HB ASP 68 HB1 ASP 68 5.704 -10.755 23.610 548 H LYS 69 HN LYS 69 4.126 -12.718 22.795 549 HA LYS 69 HA LYS 69 4.759 -15.459 22.285 550 1HB LYS 69 HB2 LYS 69 4.803 -16.165 24.658 551 2HB LYS 69 HB1 LYS 69 6.183 -15.154 24.231 552 1HG LYS 69 HG2 LYS 69 4.896 -13.211 25.169 553 2HG LYS 69 HG1 LYS 69 3.746 -14.391 25.820 554 1HD LYS 69 HD2 LYS 69 5.476 -15.409 27.153 555 2HD LYS 69 HD1 LYS 69 6.706 -14.409 26.384 556 1HE LYS 69 HE2 LYS 69 4.497 -13.498 28.201 557 2HE LYS 69 HE1 LYS 69 6.223 -13.479 28.522 558 1HZ LYS 69 HZ1 LYS 69 4.673 -11.758 26.695 559 2HZ LYS 69 HZ2 LYS 69 6.341 -11.969 26.494 560 3HZ LYS 69 HZ3 LYS 69 5.745 -11.318 27.932 561 H ALA 70 HN ALA 70 3.085 -16.914 22.988 562 HA ALA 70 HA ALA 70 0.564 -15.621 23.760 563 1HB ALA 70 HB1 ALA 70 -0.646 -17.118 22.235 564 2HB ALA 70 HB2 ALA 70 0.884 -17.773 21.652 565 3HB ALA 70 HB3 ALA 70 0.477 -16.092 21.364 566 H ALA 71 HN ALA 71 -0.512 -16.679 25.364 567 HA ALA 71 HA ALA 71 -0.920 -18.093 27.082 568 1HB ALA 71 HB1 ALA 71 -1.288 -19.775 25.306 569 2HB ALA 71 HB2 ALA 71 -0.592 -20.487 26.752 570 3HB ALA 71 HB3 ALA 71 0.428 -20.175 25.350 571 H GLY 72 HN GLY 72 1.703 -16.655 26.665 572 1HA GLY 72 HA2 GLY 72 3.494 -18.289 28.299 573 2HA GLY 72 HA1 GLY 72 3.985 -16.920 27.302 Start of MODEL 19 1 1H MET 1 HT1 MET 1 13.400 -11.573 -3.642 2 2H MET 1 HT2 MET 1 14.735 -12.580 -3.905 3 3H MET 1 HT3 MET 1 14.477 -11.873 -2.381 4 HA MET 1 HA MET 1 13.890 -14.201 -2.379 5 1HB MET 1 HB2 MET 1 12.655 -12.560 -0.968 6 2HB MET 1 HB1 MET 1 11.454 -12.428 -2.249 7 1HG MET 1 HG2 MET 1 10.892 -14.784 -1.976 8 2HG MET 1 HG1 MET 1 12.128 -14.952 -0.730 9 1HE MET 1 HE1 MET 1 8.867 -15.215 1.385 10 2HE MET 1 HE2 MET 1 10.408 -15.963 0.984 11 3HE MET 1 HE3 MET 1 9.131 -15.864 -0.231 12 H THR 2 HN THR 2 12.792 -15.937 -3.323 13 HA THR 2 HA THR 2 12.453 -15.667 -6.136 14 HB THR 2 HB THR 2 11.816 -18.081 -4.437 15 HG1 THR 2 HG1 THR 2 14.266 -17.031 -5.433 16 1HG2 THR 2 HG21 THR 2 12.254 -19.334 -6.476 17 2HG2 THR 2 HG22 THR 2 12.601 -17.852 -7.359 18 3HG2 THR 2 HG23 THR 2 10.969 -18.168 -6.766 19 H SER 3 HN SER 3 10.684 -15.120 -7.173 20 HA SER 3 HA SER 3 8.529 -15.018 -7.871 21 1HB SER 3 HB2 SER 3 7.978 -17.156 -5.807 22 2HB SER 3 HB1 SER 3 6.984 -16.778 -7.212 23 HG SER 3 HG SER 3 9.403 -17.228 -8.147 24 H VAL 4 HN VAL 4 9.497 -13.549 -5.342 25 HA VAL 4 HA VAL 4 7.092 -13.136 -3.816 26 HB VAL 4 HB VAL 4 9.403 -12.901 -2.860 27 1HG1 VAL 4 HG11 VAL 4 10.453 -11.678 -4.696 28 2HG1 VAL 4 HG12 VAL 4 10.588 -10.778 -3.179 29 3HG1 VAL 4 HG13 VAL 4 9.404 -10.302 -4.401 30 1HG2 VAL 4 HG21 VAL 4 8.820 -10.988 -1.448 31 2HG2 VAL 4 HG22 VAL 4 7.449 -12.060 -1.702 32 3HG2 VAL 4 HG23 VAL 4 7.565 -10.534 -2.587 33 H PHE 5 HN PHE 5 8.391 -11.967 -6.731 34 HA PHE 5 HA PHE 5 7.351 -9.331 -6.691 35 1HB PHE 5 HB2 PHE 5 8.169 -10.986 -9.085 36 2HB PHE 5 HB1 PHE 5 8.012 -9.226 -9.005 37 HD1 PHE 5 HD1 PHE 5 9.634 -7.911 -7.652 38 HD2 PHE 5 HD2 PHE 5 10.168 -12.055 -8.412 39 HE1 PHE 5 HE1 PHE 5 12.009 -7.720 -7.024 40 HE2 PHE 5 HE2 PHE 5 12.526 -11.875 -7.819 41 HZ PHE 5 HZ PHE 5 13.463 -9.709 -7.116 42 H ASP 6 HN ASP 6 5.225 -9.057 -6.560 43 HA ASP 6 HA ASP 6 3.467 -10.672 -8.282 44 1HB ASP 6 HB2 ASP 6 3.046 -11.237 -5.971 45 2HB ASP 6 HB1 ASP 6 2.897 -9.523 -5.533 46 H ARG 7 HN ARG 7 1.780 -9.614 -9.342 47 HA ARG 7 HA ARG 7 2.470 -6.870 -9.999 48 1HB ARG 7 HB2 ARG 7 0.346 -8.714 -11.129 49 2HB ARG 7 HB1 ARG 7 0.742 -7.115 -11.762 50 1HG ARG 7 HG2 ARG 7 2.977 -7.866 -12.319 51 2HG ARG 7 HG1 ARG 7 2.639 -9.463 -11.626 52 1HD ARG 7 HD2 ARG 7 0.887 -9.820 -13.271 53 2HD ARG 7 HD1 ARG 7 1.185 -8.214 -13.962 54 HE ARG 7 HE ARG 7 3.605 -9.595 -14.031 55 1HH1 ARG 7 HH11 ARG 7 0.400 -9.954 -15.406 56 2HH1 ARG 7 HH12 ARG 7 0.991 -10.677 -16.874 57 1HH2 ARG 7 HH21 ARG 7 4.373 -10.599 -15.924 58 2HH2 ARG 7 HH22 ARG 7 3.230 -11.013 -17.172 59 H ASP 8 HN ASP 8 -0.617 -8.475 -9.231 60 HA ASP 8 HA ASP 8 -1.562 -5.874 -8.275 61 1HB ASP 8 HB2 ASP 8 -2.853 -7.884 -10.005 62 2HB ASP 8 HB1 ASP 8 -3.894 -7.133 -8.798 63 H ASP 9 HN ASP 9 -0.787 -6.408 -6.141 64 HA ASP 9 HA ASP 9 -2.582 -8.172 -4.677 65 1HB ASP 9 HB2 ASP 9 -1.173 -7.563 -2.692 66 2HB ASP 9 HB1 ASP 9 -0.273 -8.321 -3.996 67 H ILE 10 HN ILE 10 -1.624 -5.547 -2.820 68 HA ILE 10 HA ILE 10 -3.571 -3.678 -3.796 69 HB ILE 10 HB ILE 10 -5.081 -5.056 -2.494 70 1HG1 ILE 10 HG12 ILE 10 -5.881 -3.354 -0.831 71 2HG1 ILE 10 HG11 ILE 10 -4.395 -2.461 -1.137 72 1HG2 ILE 10 HG21 ILE 10 -3.551 -6.152 -1.001 73 2HG2 ILE 10 HG22 ILE 10 -4.795 -5.344 -0.060 74 3HG2 ILE 10 HG23 ILE 10 -3.192 -4.639 -0.200 75 1HD1 ILE 10 HD11 ILE 10 -6.217 -1.511 -2.400 76 2HD1 ILE 10 HD12 ILE 10 -6.539 -3.073 -3.147 77 3HD1 ILE 10 HD13 ILE 10 -5.041 -2.239 -3.494 78 H GLN 11 HN GLN 11 -2.464 -1.892 -3.755 79 HA GLN 11 HA GLN 11 -0.289 -1.601 -1.810 80 1HB GLN 11 HB2 GLN 11 -0.705 -0.234 -4.485 81 2HB GLN 11 HB1 GLN 11 0.701 -0.045 -3.443 82 1HG GLN 11 HG2 GLN 11 1.309 -2.348 -3.766 83 2HG GLN 11 HG1 GLN 11 -0.179 -2.646 -4.668 84 1HE2 GLN 11 HE21 GLN 11 2.569 -3.077 -5.485 85 2HE2 GLN 11 HE22 GLN 11 2.783 -2.126 -6.927 86 H PHE 12 HN PHE 12 -0.230 0.156 -0.479 87 HA PHE 12 HA PHE 12 -2.529 1.965 -0.577 88 1HB PHE 12 HB2 PHE 12 -1.271 0.687 1.853 89 2HB PHE 12 HB1 PHE 12 -2.468 1.964 1.935 90 HD1 PHE 12 HD1 PHE 12 -1.880 -1.561 1.590 91 HD2 PHE 12 HD2 PHE 12 -4.790 1.510 1.164 92 HE1 PHE 12 HE1 PHE 12 -3.650 -3.246 1.692 93 HE2 PHE 12 HE2 PHE 12 -6.577 -0.167 1.244 94 HZ PHE 12 HZ PHE 12 -6.024 -2.556 1.512 95 H GLN 13 HN GLN 13 -2.210 3.778 0.952 96 HA GLN 13 HA GLN 13 0.558 4.605 1.410 97 1HB GLN 13 HB2 GLN 13 -0.021 6.940 0.752 98 2HB GLN 13 HB1 GLN 13 -0.123 5.826 -0.612 99 1HG GLN 13 HG2 GLN 13 -2.565 5.716 -0.303 100 2HG GLN 13 HG1 GLN 13 -2.425 6.902 1.009 101 1HE2 GLN 13 HE21 GLN 13 -2.061 9.016 0.530 102 2HE2 GLN 13 HE22 GLN 13 -2.118 9.660 -1.083 103 H VAL 14 HN VAL 14 0.766 5.913 3.335 104 HA VAL 14 HA VAL 14 -1.451 5.347 5.137 105 HB VAL 14 HB VAL 14 1.298 6.448 5.756 106 1HG1 VAL 14 HG11 VAL 14 0.751 5.894 8.070 107 2HG1 VAL 14 HG12 VAL 14 -0.881 5.438 7.583 108 3HG1 VAL 14 HG13 VAL 14 -0.340 7.111 7.418 109 1HG2 VAL 14 HG21 VAL 14 1.459 4.194 4.912 110 2HG2 VAL 14 HG22 VAL 14 0.181 3.656 6.001 111 3HG2 VAL 14 HG23 VAL 14 1.741 4.173 6.660 112 H VAL 15 HN VAL 15 -2.906 6.868 5.612 113 HA VAL 15 HA VAL 15 -2.127 9.663 5.166 114 HB VAL 15 HB VAL 15 -4.567 10.119 4.841 115 1HG1 VAL 15 HG11 VAL 15 -4.639 9.309 2.546 116 2HG1 VAL 15 HG12 VAL 15 -3.323 8.182 2.900 117 3HG1 VAL 15 HG13 VAL 15 -3.039 9.921 2.956 118 1HG2 VAL 15 HG21 VAL 15 -4.777 7.108 4.669 119 2HG2 VAL 15 HG22 VAL 15 -6.057 8.252 4.252 120 3HG2 VAL 15 HG23 VAL 15 -5.489 8.121 5.917 121 H VAL 16 HN VAL 16 -2.795 11.196 6.651 122 HA VAL 16 HA VAL 16 -3.641 10.105 9.249 123 HB VAL 16 HB VAL 16 -1.308 10.765 9.339 124 1HG1 VAL 16 HG11 VAL 16 -0.658 13.121 9.050 125 2HG1 VAL 16 HG12 VAL 16 -2.286 13.492 8.496 126 3HG1 VAL 16 HG13 VAL 16 -1.262 12.422 7.560 127 1HG2 VAL 16 HG21 VAL 16 -2.703 11.091 11.330 128 2HG2 VAL 16 HG22 VAL 16 -3.093 12.725 10.800 129 3HG2 VAL 16 HG23 VAL 16 -1.435 12.304 11.239 130 H ASN 17 HN ASN 17 -5.339 11.059 10.235 131 HA ASN 17 HA ASN 17 -6.691 13.206 8.845 132 1HB ASN 17 HB2 ASN 17 -7.926 11.166 9.678 133 2HB ASN 17 HB1 ASN 17 -7.572 11.684 11.328 134 1HD2 ASN 17 HD21 ASN 17 -9.782 11.835 11.779 135 2HD2 ASN 17 HD22 ASN 17 -10.746 13.152 11.194 136 H HIS 18 HN HIS 18 -7.715 14.947 10.341 137 HA HIS 18 HA HIS 18 -5.506 16.361 11.465 138 1HB HIS 18 HB2 HIS 18 -7.430 17.410 10.244 139 2HB HIS 18 HB1 HIS 18 -8.432 17.088 11.666 140 HD1 HIS 18 HD1 HIS 18 -8.513 18.891 13.351 141 HD2 HIS 18 HD2 HIS 18 -5.182 19.220 10.880 142 HE1 HIS 18 HE1 HIS 18 -7.386 21.069 13.977 143 HE2 HIS 18 HE2 HIS 18 -5.479 21.316 12.353 144 H GLU 19 HN GLU 19 -7.233 13.913 12.785 145 HA GLU 19 HA GLU 19 -6.985 14.971 15.518 146 1HB GLU 19 HB2 GLU 19 -9.155 13.836 14.722 147 2HB GLU 19 HB1 GLU 19 -8.255 12.322 14.759 148 1HG GLU 19 HG2 GLU 19 -7.758 12.755 17.157 149 2HG GLU 19 HG1 GLU 19 -8.823 14.152 17.066 150 H GLU 20 HN GLU 20 -5.035 13.741 13.420 151 HA GLU 20 HA GLU 20 -3.125 12.520 13.346 152 1HB GLU 20 HB2 GLU 20 -2.648 13.942 15.376 153 2HB GLU 20 HB1 GLU 20 -3.215 12.598 16.392 154 1HG GLU 20 HG2 GLU 20 -1.444 11.195 15.545 155 2HG GLU 20 HG1 GLU 20 -0.926 12.447 14.417 156 H GLN 21 HN GLN 21 -5.365 11.064 13.009 157 HA GLN 21 HA GLN 21 -4.549 8.503 14.206 158 1HB GLN 21 HB2 GLN 21 -7.229 9.471 13.238 159 2HB GLN 21 HB1 GLN 21 -6.867 7.761 13.362 160 1HG GLN 21 HG2 GLN 21 -6.277 8.127 15.752 161 2HG GLN 21 HG1 GLN 21 -6.904 9.765 15.579 162 1HE2 GLN 21 HE21 GLN 21 -9.026 8.892 13.740 163 2HE2 GLN 21 HE22 GLN 21 -10.213 8.146 14.742 164 H TYR 22 HN TYR 22 -3.787 7.029 12.867 165 HA TYR 22 HA TYR 22 -3.414 7.808 10.101 166 1HB TYR 22 HB2 TYR 22 -2.156 5.608 11.747 167 2HB TYR 22 HB1 TYR 22 -1.756 5.967 10.067 168 HD1 TYR 22 HD1 TYR 22 -0.653 8.119 9.484 169 HD2 TYR 22 HD2 TYR 22 -1.235 6.904 13.526 170 HE1 TYR 22 HE1 TYR 22 1.023 9.739 10.199 171 HE2 TYR 22 HE2 TYR 22 0.456 8.538 14.266 172 HH TYR 22 HH TYR 22 1.625 11.014 12.256 173 H SER 23 HN SER 23 -3.903 6.552 8.367 174 HA SER 23 HA SER 23 -5.294 4.026 8.669 175 1HB SER 23 HB2 SER 23 -6.567 6.401 7.265 176 2HB SER 23 HB1 SER 23 -7.203 4.751 7.273 177 HG SER 23 HG SER 23 -6.723 5.580 9.787 178 H ILE 24 HN ILE 24 -5.780 3.182 6.300 179 HA ILE 24 HA ILE 24 -3.535 4.040 4.624 180 HB ILE 24 HB ILE 24 -3.378 1.695 3.787 181 1HG1 ILE 24 HG12 ILE 24 -5.058 1.086 6.246 182 2HG1 ILE 24 HG11 ILE 24 -5.582 0.898 4.579 183 1HG2 ILE 24 HG21 ILE 24 -2.756 2.191 6.695 184 2HG2 ILE 24 HG22 ILE 24 -1.736 2.576 5.304 185 3HG2 ILE 24 HG23 ILE 24 -2.074 0.888 5.711 186 1HD1 ILE 24 HD11 ILE 24 -3.926 -0.832 4.221 187 2HD1 ILE 24 HD12 ILE 24 -4.938 -1.217 5.609 188 3HD1 ILE 24 HD13 ILE 24 -3.307 -0.589 5.847 189 H TRP 25 HN TRP 25 -4.007 4.577 2.654 190 HA TRP 25 HA TRP 25 -6.680 3.890 1.631 191 1HB TRP 25 HB2 TRP 25 -6.334 6.289 2.245 192 2HB TRP 25 HB1 TRP 25 -5.044 6.383 1.041 193 HD1 TRP 25 HD1 TRP 25 -5.820 6.393 -1.555 194 HE1 TRP 25 HE1 TRP 25 -8.065 7.010 -2.655 195 HE3 TRP 25 HE3 TRP 25 -8.843 6.122 2.548 196 HZ2 TRP 25 HZ2 TRP 25 -10.771 7.301 -1.896 197 HZ3 TRP 25 HZ3 TRP 25 -11.254 6.565 2.269 198 HH2 TRP 25 HH2 TRP 25 -12.196 7.141 0.094 199 HA PRO 26 HA PRO 26 -4.511 1.675 -1.521 200 1HB PRO 26 HB2 PRO 26 -6.875 2.367 -3.179 201 2HB PRO 26 HB1 PRO 26 -6.153 0.794 -2.852 202 1HG PRO 26 HG2 PRO 26 -8.420 1.499 -1.685 203 2HG PRO 26 HG1 PRO 26 -7.181 0.608 -0.776 204 1HD PRO 26 HD2 PRO 26 -7.857 3.532 -0.700 205 2HD PRO 26 HD1 PRO 26 -7.426 2.426 0.643 206 H GLU 27 HN GLU 27 -2.846 2.624 -2.440 207 HA GLU 27 HA GLU 27 -2.578 5.209 -3.320 208 1HB GLU 27 HB2 GLU 27 -0.693 3.664 -2.935 209 2HB GLU 27 HB1 GLU 27 -1.114 2.797 -4.426 210 1HG GLU 27 HG2 GLU 27 -0.636 4.817 -5.728 211 2HG GLU 27 HG1 GLU 27 -0.217 5.666 -4.242 212 H TYR 28 HN TYR 28 -3.988 2.548 -5.055 213 HA TYR 28 HA TYR 28 -3.867 3.524 -7.675 214 1HB TYR 28 HB2 TYR 28 -6.173 1.984 -6.509 215 2HB TYR 28 HB1 TYR 28 -5.620 2.003 -8.184 216 HD1 TYR 28 HD1 TYR 28 -5.078 0.609 -4.852 217 HD2 TYR 28 HD2 TYR 28 -3.646 0.735 -8.861 218 HE1 TYR 28 HE1 TYR 28 -3.742 -1.417 -4.442 219 HE2 TYR 28 HE2 TYR 28 -2.301 -1.275 -8.452 220 HH TYR 28 HH TYR 28 -1.378 -2.549 -6.657 221 H LYS 29 HN LYS 29 -6.088 4.147 -5.035 222 HA LYS 29 HA LYS 29 -7.794 5.760 -6.753 223 1HB LYS 29 HB2 LYS 29 -8.144 4.606 -4.002 224 2HB LYS 29 HB1 LYS 29 -9.258 5.808 -4.668 225 1HG LYS 29 HG2 LYS 29 -9.787 4.323 -6.527 226 2HG LYS 29 HG1 LYS 29 -8.638 3.132 -5.920 227 1HD LYS 29 HD2 LYS 29 -11.009 4.073 -4.316 228 2HD LYS 29 HD1 LYS 29 -11.048 2.679 -5.389 229 1HE LYS 29 HE2 LYS 29 -9.205 1.671 -4.098 230 2HE LYS 29 HE1 LYS 29 -9.221 3.055 -3.014 231 1HZ LYS 29 HZ1 LYS 29 -11.644 1.395 -3.417 232 2HZ LYS 29 HZ2 LYS 29 -11.279 2.466 -2.144 233 3HZ LYS 29 HZ3 LYS 29 -10.456 0.989 -2.271 234 H GLU 30 HN GLU 30 -8.419 7.865 -6.176 235 HA GLU 30 HA GLU 30 -6.355 9.473 -4.961 236 1HB GLU 30 HB2 GLU 30 -7.465 10.243 -6.980 237 2HB GLU 30 HB1 GLU 30 -9.033 10.130 -6.215 238 1HG GLU 30 HG2 GLU 30 -8.438 11.953 -4.731 239 2HG GLU 30 HG1 GLU 30 -6.834 12.024 -5.445 240 H ILE 31 HN ILE 31 -6.426 10.446 -2.989 241 HA ILE 31 HA ILE 31 -8.271 9.452 -1.065 242 HB ILE 31 HB ILE 31 -7.094 11.050 0.491 243 1HG1 ILE 31 HG12 ILE 31 -5.337 11.541 -1.921 244 2HG1 ILE 31 HG11 ILE 31 -6.489 12.705 -1.260 245 1HG2 ILE 31 HG21 ILE 31 -6.407 8.725 0.266 246 2HG2 ILE 31 HG22 ILE 31 -5.009 9.783 0.546 247 3HG2 ILE 31 HG23 ILE 31 -5.346 9.170 -1.067 248 1HD1 ILE 31 HD11 ILE 31 -5.206 12.746 0.824 249 2HD1 ILE 31 HD12 ILE 31 -4.217 13.181 -0.571 250 3HD1 ILE 31 HD13 ILE 31 -4.068 11.572 0.145 251 HA PRO 32 HA PRO 32 -11.047 12.950 -1.082 252 1HB PRO 32 HB2 PRO 32 -11.989 12.475 1.530 253 2HB PRO 32 HB1 PRO 32 -12.679 11.862 0.016 254 1HG PRO 32 HG2 PRO 32 -11.466 10.338 2.028 255 2HG PRO 32 HG1 PRO 32 -11.856 9.785 0.389 256 1HD PRO 32 HD2 PRO 32 -9.244 10.699 1.515 257 2HD PRO 32 HD1 PRO 32 -9.575 9.491 0.257 258 H GLN 33 HN GLN 33 -11.438 14.968 -0.009 259 HA GLN 33 HA GLN 33 -9.141 16.194 1.058 260 1HB GLN 33 HB2 GLN 33 -10.659 18.141 1.450 261 2HB GLN 33 HB1 GLN 33 -10.715 17.498 -0.188 262 1HG GLN 33 HG2 GLN 33 -12.791 16.383 0.259 263 2HG GLN 33 HG1 GLN 33 -12.720 16.843 1.951 264 1HE2 GLN 33 HE21 GLN 33 -13.223 18.936 2.556 265 2HE2 GLN 33 HE22 GLN 33 -13.995 20.039 1.474 266 H GLY 34 HN GLY 34 -8.451 16.401 3.093 267 1HA GLY 34 HA2 GLY 34 -9.161 16.869 5.441 268 2HA GLY 34 HA1 GLY 34 -10.300 15.548 5.242 269 H TRP 35 HN TRP 35 -8.037 14.196 3.583 270 HA TRP 35 HA TRP 35 -6.554 13.199 5.918 271 1HB TRP 35 HB2 TRP 35 -7.097 11.893 3.227 272 2HB TRP 35 HB1 TRP 35 -6.114 11.198 4.495 273 HD1 TRP 35 HD1 TRP 35 -9.720 11.855 3.509 274 HE1 TRP 35 HE1 TRP 35 -11.283 10.503 5.066 275 HE3 TRP 35 HE3 TRP 35 -6.260 10.231 6.890 276 HZ2 TRP 35 HZ2 TRP 35 -11.048 8.966 7.406 277 HZ3 TRP 35 HZ3 TRP 35 -7.020 8.816 8.777 278 HH2 TRP 35 HH2 TRP 35 -9.357 8.205 9.007 279 H ARG 36 HN ARG 36 -4.343 13.095 5.851 280 HA ARG 36 HA ARG 36 -3.044 14.443 3.590 281 1HB ARG 36 HB2 ARG 36 -3.043 15.715 5.725 282 2HB ARG 36 HB1 ARG 36 -2.134 14.397 6.468 283 1HG ARG 36 HG2 ARG 36 -0.725 16.310 5.822 284 2HG ARG 36 HG1 ARG 36 -0.261 14.798 5.030 285 1HD ARG 36 HD2 ARG 36 -0.307 16.825 3.532 286 2HD ARG 36 HD1 ARG 36 -1.251 15.433 2.968 287 HE ARG 36 HE ARG 36 -2.569 17.602 4.469 288 1HH1 ARG 36 HH11 ARG 36 -2.066 15.882 1.457 289 2HH1 ARG 36 HH12 ARG 36 -3.476 16.523 0.683 290 1HH2 ARG 36 HH21 ARG 36 -4.416 18.488 3.452 291 2HH2 ARG 36 HH22 ARG 36 -4.852 17.993 1.855 292 H ALA 37 HN ALA 37 -1.360 13.410 2.618 293 HA ALA 37 HA ALA 37 -0.915 10.663 3.329 294 1HB ALA 37 HB1 ALA 37 0.414 12.346 1.225 295 2HB ALA 37 HB2 ALA 37 -1.012 11.322 0.982 296 3HB ALA 37 HB3 ALA 37 0.550 10.607 1.380 297 H ALA 38 HN ALA 38 0.747 9.879 4.550 298 HA ALA 38 HA ALA 38 3.148 11.240 5.133 299 1HB ALA 38 HB1 ALA 38 0.941 11.625 7.138 300 2HB ALA 38 HB2 ALA 38 1.721 12.883 6.179 301 3HB ALA 38 HB3 ALA 38 2.634 12.011 7.412 302 H GLY 39 HN GLY 39 4.144 9.245 5.149 303 1HA GLY 39 HA2 GLY 39 4.762 8.002 7.404 304 2HA GLY 39 HA1 GLY 39 3.215 7.249 7.054 305 H LYS 40 HN LYS 40 3.041 5.926 5.185 306 HA LYS 40 HA LYS 40 5.596 5.027 4.053 307 1HB LYS 40 HB2 LYS 40 5.025 3.617 6.005 308 2HB LYS 40 HB1 LYS 40 3.481 3.254 5.260 309 1HG LYS 40 HG2 LYS 40 4.851 1.386 4.903 310 2HG LYS 40 HG1 LYS 40 4.733 2.225 3.354 311 1HD LYS 40 HD2 LYS 40 6.921 3.197 3.693 312 2HD LYS 40 HD1 LYS 40 7.009 2.539 5.322 313 1HE LYS 40 HE2 LYS 40 6.891 0.264 4.379 314 2HE LYS 40 HE1 LYS 40 6.930 0.943 2.754 315 1HZ LYS 40 HZ1 LYS 40 9.065 1.426 4.771 316 2HZ LYS 40 HZ2 LYS 40 9.122 1.715 3.098 317 3HZ LYS 40 HZ3 LYS 40 9.093 0.130 3.684 318 H SER 41 HN SER 41 5.449 4.719 1.912 319 HA SER 41 HA SER 41 2.803 4.202 0.767 320 1HB SER 41 HB2 SER 41 5.173 5.505 -0.614 321 2HB SER 41 HB1 SER 41 3.526 5.366 -1.237 322 HG SER 41 HG SER 41 3.155 7.191 -0.312 323 H GLY 42 HN GLY 42 2.566 2.214 -0.030 324 1HA GLY 42 HA2 GLY 42 4.345 0.869 -1.679 325 2HA GLY 42 HA1 GLY 42 4.679 0.319 -0.025 326 H LEU 43 HN LEU 43 3.925 -1.800 -0.474 327 HA LEU 43 HA LEU 43 1.110 -1.970 -1.209 328 1HB LEU 43 HB2 LEU 43 1.386 -4.289 -1.556 329 2HB LEU 43 HB1 LEU 43 2.742 -3.470 -2.308 330 HG LEU 43 HG LEU 43 3.216 -4.453 0.428 331 1HD1 LEU 43 HD11 LEU 43 1.835 -6.245 -0.385 332 2HD1 LEU 43 HD12 LEU 43 3.522 -6.774 -0.375 333 3HD1 LEU 43 HD13 LEU 43 2.740 -6.318 -1.905 334 1HD2 LEU 43 HD21 LEU 43 5.314 -5.134 -0.584 335 2HD2 LEU 43 HD22 LEU 43 4.975 -3.452 -0.957 336 3HD2 LEU 43 HD23 LEU 43 4.721 -4.715 -2.184 337 H LYS 44 HN LYS 44 -0.039 -3.923 -0.019 338 HA LYS 44 HA LYS 44 -0.990 -2.958 2.308 339 1HB LYS 44 HB2 LYS 44 -2.038 -4.710 0.956 340 2HB LYS 44 HB1 LYS 44 -0.826 -5.855 1.497 341 1HG LYS 44 HG2 LYS 44 -1.647 -5.693 3.783 342 2HG LYS 44 HG1 LYS 44 -2.847 -4.498 3.251 343 1HD LYS 44 HD2 LYS 44 -3.879 -6.138 1.799 344 2HD LYS 44 HD1 LYS 44 -2.645 -7.327 2.200 345 1HE LYS 44 HE2 LYS 44 -4.636 -7.813 3.428 346 2HE LYS 44 HE1 LYS 44 -3.396 -7.227 4.560 347 1HZ LYS 44 HZ1 LYS 44 -5.636 -6.309 4.942 348 2HZ LYS 44 HZ2 LYS 44 -5.570 -5.559 3.410 349 3HZ LYS 44 HZ3 LYS 44 -4.471 -5.110 4.619 350 H LYS 45 HN LYS 45 1.524 -5.487 2.139 351 HA LYS 45 HA LYS 45 1.573 -5.943 4.891 352 1HB LYS 45 HB2 LYS 45 2.478 -7.467 3.113 353 2HB LYS 45 HB1 LYS 45 3.850 -6.374 2.948 354 1HG LYS 45 HG2 LYS 45 3.139 -7.589 5.587 355 2HG LYS 45 HG1 LYS 45 4.094 -8.478 4.405 356 1HD LYS 45 HD2 LYS 45 4.819 -5.729 5.398 357 2HD LYS 45 HD1 LYS 45 5.411 -7.208 6.135 358 1HE LYS 45 HE2 LYS 45 6.502 -7.884 4.089 359 2HE LYS 45 HE1 LYS 45 5.788 -6.503 3.235 360 1HZ LYS 45 HZ1 LYS 45 7.225 -5.031 4.232 361 2HZ LYS 45 HZ2 LYS 45 8.225 -6.389 4.087 362 3HZ LYS 45 HZ3 LYS 45 7.514 -6.016 5.577 363 H ASP 46 HN ASP 46 3.575 -3.871 2.843 364 HA ASP 46 HA ASP 46 5.321 -3.115 4.937 365 1HB ASP 46 HB2 ASP 46 4.868 -1.958 2.206 366 2HB ASP 46 HB1 ASP 46 6.052 -1.302 3.344 367 H CYS 47 HN CYS 47 2.412 -1.827 3.624 368 HA CYS 47 HA CYS 47 2.436 0.678 4.934 369 1HB CYS 47 HB2 CYS 47 0.298 -1.110 3.791 370 2HB CYS 47 HB1 CYS 47 -0.119 0.393 4.606 371 HG CYS 47 HG CYS 47 1.549 -0.057 1.675 372 H LEU 48 HN LEU 48 0.883 -2.375 5.625 373 HA LEU 48 HA LEU 48 -0.386 -1.807 7.989 374 1HB LEU 48 HB2 LEU 48 -0.918 -3.744 6.787 375 2HB LEU 48 HB1 LEU 48 0.750 -4.297 6.798 376 HG LEU 48 HG LEU 48 0.538 -4.681 9.260 377 1HD1 LEU 48 HD11 LEU 48 -1.264 -3.138 9.745 378 2HD1 LEU 48 HD12 LEU 48 -1.734 -4.782 10.185 379 3HD1 LEU 48 HD13 LEU 48 -2.352 -4.061 8.705 380 1HD2 LEU 48 HD21 LEU 48 -1.388 -6.074 7.410 381 2HD2 LEU 48 HD22 LEU 48 -0.821 -6.703 8.963 382 3HD2 LEU 48 HD23 LEU 48 0.327 -6.451 7.646 383 H ALA 49 HN ALA 49 2.792 -3.259 7.493 384 HA ALA 49 HA ALA 49 3.595 -3.674 10.087 385 1HB ALA 49 HB1 ALA 49 5.318 -2.776 7.780 386 2HB ALA 49 HB2 ALA 49 4.868 -4.438 8.182 387 3HB ALA 49 HB3 ALA 49 5.899 -3.499 9.278 388 H TYR 50 HN TYR 50 3.821 -0.710 8.196 389 HA TYR 50 HA TYR 50 5.287 0.819 9.981 390 1HB TYR 50 HB2 TYR 50 4.791 1.473 7.652 391 2HB TYR 50 HB1 TYR 50 3.109 1.784 8.112 392 HD1 TYR 50 HD1 TYR 50 6.616 2.906 8.662 393 HD2 TYR 50 HD2 TYR 50 2.479 3.868 9.065 394 HE1 TYR 50 HE1 TYR 50 7.214 5.207 9.278 395 HE2 TYR 50 HE2 TYR 50 3.073 6.185 9.652 396 HH TYR 50 HH TYR 50 4.954 7.432 10.530 397 H ILE 51 HN ILE 51 1.749 0.409 9.854 398 HA ILE 51 HA ILE 51 1.276 2.537 11.707 399 HB ILE 51 HB ILE 51 -0.487 0.369 10.568 400 1HG1 ILE 51 HG12 ILE 51 -1.781 2.405 9.759 401 2HG1 ILE 51 HG11 ILE 51 -0.467 3.404 10.384 402 1HG2 ILE 51 HG21 ILE 51 -1.270 2.364 12.697 403 2HG2 ILE 51 HG22 ILE 51 -1.262 0.607 12.845 404 3HG2 ILE 51 HG23 ILE 51 -2.416 1.396 11.756 405 1HD1 ILE 51 HD11 ILE 51 -0.289 1.351 8.190 406 2HD1 ILE 51 HD12 ILE 51 1.070 2.248 8.871 407 3HD1 ILE 51 HD13 ILE 51 -0.204 3.105 8.032 408 H GLU 52 HN GLU 52 1.519 -0.978 12.047 409 HA GLU 52 HA GLU 52 0.670 -1.069 14.706 410 1HB GLU 52 HB2 GLU 52 1.723 -3.257 14.852 411 2HB GLU 52 HB1 GLU 52 0.792 -3.094 13.365 412 1HG GLU 52 HG2 GLU 52 2.819 -2.780 12.085 413 2HG GLU 52 HG1 GLU 52 3.787 -2.768 13.569 414 H GLU 53 HN GLU 53 3.861 -0.526 13.334 415 HA GLU 53 HA GLU 53 5.492 -0.861 15.458 416 1HB GLU 53 HB2 GLU 53 5.703 1.295 13.373 417 2HB GLU 53 HB1 GLU 53 6.998 0.808 14.460 418 1HG GLU 53 HG2 GLU 53 5.637 -0.927 12.418 419 2HG GLU 53 HG1 GLU 53 7.277 -0.260 12.330 420 H VAL 54 HN VAL 54 4.290 2.909 16.517 421 HA VAL 54 HA VAL 54 3.908 1.930 13.802 422 HB VAL 54 HB VAL 54 1.989 3.096 14.629 423 1HG1 VAL 54 HG11 VAL 54 2.100 5.441 15.435 424 2HG1 VAL 54 HG12 VAL 54 3.858 5.373 15.305 425 3HG1 VAL 54 HG13 VAL 54 3.023 4.333 16.446 426 1HG2 VAL 54 HG21 VAL 54 3.465 5.034 12.851 427 2HG2 VAL 54 HG22 VAL 54 1.715 4.892 13.045 428 3HG2 VAL 54 HG23 VAL 54 2.615 3.586 12.302 429 H TRP 55 HN TRP 55 5.665 4.439 15.579 430 HA TRP 55 HA TRP 55 7.116 5.080 13.092 431 1HB TRP 55 HB2 TRP 55 5.912 6.974 14.250 432 2HB TRP 55 HB1 TRP 55 6.999 6.743 15.641 433 HD1 TRP 55 HD1 TRP 55 7.460 7.325 11.823 434 HE1 TRP 55 HE1 TRP 55 9.407 8.992 11.504 435 HE3 TRP 55 HE3 TRP 55 8.724 8.057 16.735 436 HZ2 TRP 55 HZ2 TRP 55 11.234 10.408 13.127 437 HZ3 TRP 55 HZ3 TRP 55 10.603 9.583 17.254 438 HH2 TRP 55 HH2 TRP 55 11.822 10.723 15.492 439 H THR 56 HN THR 56 7.937 2.802 14.069 440 HA THR 56 HA THR 56 10.329 3.231 15.673 441 HB THR 56 HB THR 56 10.725 0.813 15.323 442 HG1 THR 56 HG1 THR 56 8.825 -0.275 14.237 443 1HG2 THR 56 HG21 THR 56 8.720 -0.031 16.479 444 2HG2 THR 56 HG22 THR 56 7.877 1.475 16.126 445 3HG2 THR 56 HG23 THR 56 9.299 1.473 17.177 446 H ASP 57 HN ASP 57 12.044 1.414 14.333 447 HA ASP 57 HA ASP 57 12.405 2.465 11.644 448 1HB ASP 57 HB2 ASP 57 13.726 3.998 13.087 449 2HB ASP 57 HB1 ASP 57 14.638 2.611 13.690 450 H MET 58 HN MET 58 11.901 0.405 10.922 451 HA MET 58 HA MET 58 14.032 -1.496 10.864 452 1HB MET 58 HB2 MET 58 13.217 -2.019 13.123 453 2HB MET 58 HB1 MET 58 11.584 -2.220 12.523 454 1HG MET 58 HG2 MET 58 12.582 -4.366 12.893 455 2HG MET 58 HG1 MET 58 12.355 -4.121 11.165 456 1HE MET 58 HE1 MET 58 14.920 -4.195 14.133 457 2HE MET 58 HE2 MET 58 15.136 -2.581 13.481 458 3HE MET 58 HE3 MET 58 16.418 -3.769 13.310 459 H ARG 59 HN ARG 59 13.867 -2.225 8.854 460 HA ARG 59 HA ARG 59 11.260 -2.248 7.551 461 1HB ARG 59 HB2 ARG 59 14.058 -2.533 6.476 462 2HB ARG 59 HB1 ARG 59 12.642 -2.832 5.476 463 1HG ARG 59 HG2 ARG 59 13.447 -0.622 5.082 464 2HG ARG 59 HG1 ARG 59 11.891 -0.525 5.907 465 1HD ARG 59 HD2 ARG 59 12.950 0.015 7.975 466 2HD ARG 59 HD1 ARG 59 14.550 -0.302 7.307 467 HE ARG 59 HE ARG 59 13.669 1.633 5.699 468 1HH1 ARG 59 HH11 ARG 59 13.547 1.359 9.161 469 2HH1 ARG 59 HH12 ARG 59 13.901 3.034 9.481 470 1HH2 ARG 59 HH21 ARG 59 14.070 3.878 6.051 471 2HH2 ARG 59 HH22 ARG 59 14.178 4.464 7.682 472 HA PRO 60 HA PRO 60 12.422 -6.847 6.890 473 1HB PRO 60 HB2 PRO 60 14.646 -7.902 7.909 474 2HB PRO 60 HB1 PRO 60 14.683 -6.948 6.412 475 1HG PRO 60 HG2 PRO 60 15.391 -6.113 9.201 476 2HG PRO 60 HG1 PRO 60 16.248 -5.801 7.686 477 1HD PRO 60 HD2 PRO 60 14.585 -3.982 8.861 478 2HD PRO 60 HD1 PRO 60 14.887 -4.046 7.115 479 H LEU 61 HN LEU 61 10.905 -5.927 8.932 480 HA LEU 61 HA LEU 61 11.589 -7.202 11.418 481 1HB LEU 61 HB2 LEU 61 9.268 -6.456 12.047 482 2HB LEU 61 HB1 LEU 61 10.394 -5.186 11.637 483 HG LEU 61 HG LEU 61 9.297 -5.387 9.269 484 1HD1 LEU 61 HD11 LEU 61 7.939 -7.346 9.748 485 2HD1 LEU 61 HD12 LEU 61 6.942 -5.965 9.348 486 3HD1 LEU 61 HD13 LEU 61 7.081 -6.449 11.031 487 1HD2 LEU 61 HD21 LEU 61 9.241 -3.422 10.698 488 2HD2 LEU 61 HD22 LEU 61 7.888 -4.099 11.593 489 3HD2 LEU 61 HD23 LEU 61 7.707 -3.655 9.904 490 H SER 62 HN SER 62 10.789 -8.538 8.665 491 HA SER 62 HA SER 62 8.565 -10.195 9.216 492 1HB SER 62 HB2 SER 62 9.741 -11.550 7.273 493 2HB SER 62 HB1 SER 62 9.029 -9.965 6.954 494 HG SER 62 HG SER 62 11.695 -10.755 6.956 495 H LEU 63 HN LEU 63 11.719 -10.258 10.443 496 HA LEU 63 HA LEU 63 12.078 -13.068 10.674 497 1HB LEU 63 HB2 LEU 63 13.945 -12.633 12.024 498 2HB LEU 63 HB1 LEU 63 13.876 -11.277 10.906 499 HG LEU 63 HG LEU 63 12.806 -11.138 13.719 500 1HD1 LEU 63 HD11 LEU 63 15.201 -11.566 13.786 501 2HD1 LEU 63 HD12 LEU 63 14.853 -9.905 14.267 502 3HD1 LEU 63 HD13 LEU 63 15.490 -10.255 12.650 503 1HD2 LEU 63 HD21 LEU 63 11.855 -9.494 12.167 504 2HD2 LEU 63 HD22 LEU 63 13.475 -8.980 11.712 505 3HD2 LEU 63 HD23 LEU 63 12.906 -8.718 13.355 506 H ARG 64 HN ARG 64 9.894 -11.016 12.105 507 HA ARG 64 HA ARG 64 9.778 -12.149 14.722 508 1HB ARG 64 HB2 ARG 64 8.949 -9.862 14.131 509 2HB ARG 64 HB1 ARG 64 7.649 -10.624 13.235 510 1HG ARG 64 HG2 ARG 64 6.747 -11.584 15.259 511 2HG ARG 64 HG1 ARG 64 8.105 -10.948 16.194 512 1HD ARG 64 HD2 ARG 64 6.198 -9.526 16.521 513 2HD ARG 64 HD1 ARG 64 7.401 -8.647 15.571 514 HE ARG 64 HE ARG 64 5.386 -10.006 14.017 515 1HH1 ARG 64 HH11 ARG 64 6.347 -7.013 15.551 516 2HH1 ARG 64 HH12 ARG 64 5.200 -6.064 14.660 517 1HH2 ARG 64 HH21 ARG 64 3.876 -8.730 12.843 518 2HH2 ARG 64 HH22 ARG 64 3.812 -7.027 13.147 519 H GLN 65 HN GLN 65 8.591 -13.063 11.645 520 HA GLN 65 HA GLN 65 6.444 -14.715 12.636 521 1HB GLN 65 HB2 GLN 65 7.630 -14.393 9.877 522 2HB GLN 65 HB1 GLN 65 6.285 -15.458 10.248 523 1HG GLN 65 HG2 GLN 65 4.974 -13.539 10.965 524 2HG GLN 65 HG1 GLN 65 6.305 -12.478 10.595 525 1HE2 GLN 65 HE21 GLN 65 5.136 -11.321 9.096 526 2HE2 GLN 65 HE22 GLN 65 4.758 -12.006 7.543 527 H HIS 66 HN HIS 66 6.325 -17.022 12.235 528 HA HIS 66 HA HIS 66 8.873 -18.335 12.695 529 1HB HIS 66 HB2 HIS 66 6.049 -19.428 12.630 530 2HB HIS 66 HB1 HIS 66 7.470 -20.387 13.008 531 HD1 HIS 66 HD1 HIS 66 4.886 -19.447 14.852 532 HD2 HIS 66 HD2 HIS 66 8.852 -18.283 15.142 533 HE1 HIS 66 HE1 HIS 66 5.196 -18.659 17.223 534 HE2 HIS 66 HE2 HIS 66 7.638 -18.024 17.402 535 H MET 67 HN MET 67 6.953 -17.503 10.092 536 HA MET 67 HA MET 67 7.497 -19.639 8.306 537 1HB MET 67 HB2 MET 67 5.692 -18.042 7.895 538 2HB MET 67 HB1 MET 67 6.858 -16.715 7.770 539 1HG MET 67 HG2 MET 67 6.100 -17.383 5.580 540 2HG MET 67 HG1 MET 67 7.812 -17.784 5.775 541 1HE MET 67 HE1 MET 67 4.688 -19.750 7.205 542 2HE MET 67 HE2 MET 67 4.400 -20.895 5.882 543 3HE MET 67 HE3 MET 67 4.156 -19.146 5.636 544 H ASP 68 HN ASP 68 9.313 -16.880 9.393 545 HA ASP 68 HA ASP 68 11.201 -16.959 7.214 546 1HB ASP 68 HB2 ASP 68 10.464 -14.911 8.591 547 2HB ASP 68 HB1 ASP 68 11.575 -15.511 9.817 548 H LYS 69 HN LYS 69 13.662 -16.834 8.171 549 HA LYS 69 HA LYS 69 14.131 -19.559 8.827 550 1HB LYS 69 HB2 LYS 69 16.530 -18.908 8.913 551 2HB LYS 69 HB1 LYS 69 15.716 -18.470 7.408 552 1HG LYS 69 HG2 LYS 69 15.535 -16.150 8.193 553 2HG LYS 69 HG1 LYS 69 16.308 -16.599 9.722 554 1HD LYS 69 HD2 LYS 69 18.323 -17.259 8.516 555 2HD LYS 69 HD1 LYS 69 17.541 -16.837 6.970 556 1HE LYS 69 HE2 LYS 69 19.020 -15.047 7.670 557 2HE LYS 69 HE1 LYS 69 17.345 -14.514 7.734 558 1HZ LYS 69 HZ1 LYS 69 18.612 -13.797 9.670 559 2HZ LYS 69 HZ2 LYS 69 18.931 -15.407 10.084 560 3HZ LYS 69 HZ3 LYS 69 17.345 -14.821 10.112 561 H ALA 70 HN ALA 70 13.926 -20.444 10.758 562 HA ALA 70 HA ALA 70 14.835 -18.943 13.110 563 1HB ALA 70 HB1 ALA 70 12.289 -20.548 13.013 564 2HB ALA 70 HB2 ALA 70 12.372 -18.797 12.959 565 3HB ALA 70 HB3 ALA 70 12.921 -19.675 14.389 566 H ALA 71 HN ALA 71 15.784 -20.134 14.683 567 HA ALA 71 HA ALA 71 16.594 -22.813 13.972 568 1HB ALA 71 HB1 ALA 71 17.339 -21.112 16.344 569 2HB ALA 71 HB2 ALA 71 18.270 -21.290 14.864 570 3HB ALA 71 HB3 ALA 71 18.063 -22.674 15.938 571 H GLY 72 HN GLY 72 15.293 -24.430 14.400 572 1HA GLY 72 HA2 GLY 72 14.564 -25.518 16.724 573 2HA GLY 72 HA1 GLY 72 13.359 -24.238 16.569 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -8.096 -10.925 -22.925 2 2H MET 1 HT2 MET 1 -8.288 -12.467 -22.250 3 3H MET 1 HT3 MET 1 -6.876 -12.060 -23.104 4 HA MET 1 HA MET 1 -7.772 -10.796 -20.588 5 1HB MET 1 HB2 MET 1 -5.952 -12.025 -19.498 6 2HB MET 1 HB1 MET 1 -7.061 -13.145 -20.257 7 1HG MET 1 HG2 MET 1 -5.538 -13.434 -22.141 8 2HG MET 1 HG1 MET 1 -4.428 -12.273 -21.417 9 1HE MET 1 HE1 MET 1 -6.564 -15.081 -19.709 10 2HE MET 1 HE2 MET 1 -5.400 -16.388 -19.545 11 3HE MET 1 HE3 MET 1 -5.969 -15.900 -21.148 12 H THR 2 HN THR 2 -6.744 -8.921 -20.121 13 HA THR 2 HA THR 2 -4.190 -8.386 -21.444 14 HB THR 2 HB THR 2 -6.303 -6.276 -21.061 15 HG1 THR 2 HG1 THR 2 -7.005 -7.595 -22.725 16 1HG2 THR 2 HG21 THR 2 -4.843 -4.918 -22.508 17 2HG2 THR 2 HG22 THR 2 -3.690 -6.250 -22.560 18 3HG2 THR 2 HG23 THR 2 -4.015 -5.440 -21.038 19 H SER 3 HN SER 3 -2.755 -8.357 -19.860 20 HA SER 3 HA SER 3 -3.357 -6.757 -17.447 21 1HB SER 3 HB2 SER 3 -2.239 -9.558 -17.427 22 2HB SER 3 HB1 SER 3 -2.393 -8.521 -16.025 23 HG SER 3 HG SER 3 -4.280 -9.429 -15.857 24 H VAL 4 HN VAL 4 -1.963 -5.126 -17.778 25 HA VAL 4 HA VAL 4 0.865 -5.724 -18.291 26 HB VAL 4 HB VAL 4 -0.447 -3.074 -17.596 27 1HG1 VAL 4 HG11 VAL 4 1.612 -2.068 -18.444 28 2HG1 VAL 4 HG12 VAL 4 2.291 -3.679 -18.739 29 3HG1 VAL 4 HG13 VAL 4 1.946 -3.155 -17.090 30 1HG2 VAL 4 HG21 VAL 4 -1.318 -3.917 -19.690 31 2HG2 VAL 4 HG22 VAL 4 0.313 -4.224 -20.280 32 3HG2 VAL 4 HG23 VAL 4 -0.224 -2.574 -20.002 33 H PHE 5 HN PHE 5 -1.242 -4.451 -15.814 34 HA PHE 5 HA PHE 5 0.417 -5.733 -13.777 35 1HB PHE 5 HB2 PHE 5 -0.079 -3.750 -12.231 36 2HB PHE 5 HB1 PHE 5 1.155 -3.508 -13.467 37 HD1 PHE 5 HD1 PHE 5 -2.105 -2.498 -12.237 38 HD2 PHE 5 HD2 PHE 5 0.708 -2.107 -15.413 39 HE1 PHE 5 HE1 PHE 5 -3.263 -0.447 -12.987 40 HE2 PHE 5 HE2 PHE 5 -0.460 -0.074 -16.190 41 HZ PHE 5 HZ PHE 5 -2.435 0.756 -14.969 42 H ASP 6 HN ASP 6 -0.851 -7.264 -13.090 43 HA ASP 6 HA ASP 6 -3.709 -7.030 -13.406 44 1HB ASP 6 HB2 ASP 6 -2.261 -9.112 -13.905 45 2HB ASP 6 HB1 ASP 6 -2.282 -9.376 -12.142 46 H ARG 7 HN ARG 7 -4.877 -8.345 -11.370 47 HA ARG 7 HA ARG 7 -4.748 -6.254 -9.359 48 1HB ARG 7 HB2 ARG 7 -6.670 -8.504 -9.873 49 2HB ARG 7 HB1 ARG 7 -6.758 -7.545 -8.401 50 1HG ARG 7 HG2 ARG 7 -8.285 -6.549 -9.851 51 2HG ARG 7 HG1 ARG 7 -6.871 -5.503 -9.929 52 1HD ARG 7 HD2 ARG 7 -7.612 -5.788 -12.161 53 2HD ARG 7 HD1 ARG 7 -6.169 -6.781 -11.980 54 HE ARG 7 HE ARG 7 -8.578 -8.238 -11.479 55 1HH1 ARG 7 HH11 ARG 7 -6.468 -7.063 -14.008 56 2HH1 ARG 7 HH12 ARG 7 -6.926 -8.295 -15.154 57 1HH2 ARG 7 HH21 ARG 7 -9.223 -9.831 -12.951 58 2HH2 ARG 7 HH22 ARG 7 -8.518 -9.870 -14.540 59 H ASP 8 HN ASP 8 -3.003 -8.930 -9.735 60 HA ASP 8 HA ASP 8 -2.907 -9.834 -6.996 61 1HB ASP 8 HB2 ASP 8 -0.852 -11.010 -7.650 62 2HB ASP 8 HB1 ASP 8 -2.157 -11.310 -8.778 63 H ASP 9 HN ASP 9 -1.726 -7.213 -8.801 64 HA ASP 9 HA ASP 9 0.256 -6.445 -6.798 65 1HB ASP 9 HB2 ASP 9 0.737 -6.111 -9.228 66 2HB ASP 9 HB1 ASP 9 -0.656 -5.023 -9.310 67 H ILE 10 HN ILE 10 -0.308 -5.241 -5.097 68 HA ILE 10 HA ILE 10 -2.510 -3.372 -5.366 69 HB ILE 10 HB ILE 10 -3.628 -5.348 -4.595 70 1HG1 ILE 10 HG12 ILE 10 -4.487 -4.539 -2.367 71 2HG1 ILE 10 HG11 ILE 10 -3.240 -3.304 -2.415 72 1HG2 ILE 10 HG21 ILE 10 -1.813 -6.617 -3.696 73 2HG2 ILE 10 HG22 ILE 10 -3.043 -6.423 -2.443 74 3HG2 ILE 10 HG23 ILE 10 -1.577 -5.447 -2.399 75 1HD1 ILE 10 HD11 ILE 10 -5.418 -3.632 -4.452 76 2HD1 ILE 10 HD12 ILE 10 -4.210 -2.350 -4.421 77 3HD1 ILE 10 HD13 ILE 10 -5.419 -2.460 -3.140 78 H GLN 11 HN GLN 11 -1.468 -1.554 -4.962 79 HA GLN 11 HA GLN 11 0.433 -1.438 -2.730 80 1HB GLN 11 HB2 GLN 11 0.294 -0.080 -5.341 81 2HB GLN 11 HB1 GLN 11 0.732 0.942 -3.972 82 1HG GLN 11 HG2 GLN 11 2.763 0.197 -4.866 83 2HG GLN 11 HG1 GLN 11 2.504 -0.781 -3.432 84 1HE2 GLN 11 HE21 GLN 11 4.176 -1.260 -5.772 85 2HE2 GLN 11 HE22 GLN 11 3.614 -2.758 -6.454 86 H PHE 12 HN PHE 12 0.156 -0.105 -1.068 87 HA PHE 12 HA PHE 12 -2.283 1.542 -0.989 88 1HB PHE 12 HB2 PHE 12 -1.197 -0.443 0.951 89 2HB PHE 12 HB1 PHE 12 -1.932 1.015 1.613 90 HD1 PHE 12 HD1 PHE 12 -2.631 -1.697 -0.857 91 HD2 PHE 12 HD2 PHE 12 -4.160 1.008 2.036 92 HE1 PHE 12 HE1 PHE 12 -4.857 -2.742 -1.061 93 HE2 PHE 12 HE2 PHE 12 -6.396 -0.019 1.831 94 HZ PHE 12 HZ PHE 12 -6.735 -1.904 0.281 95 H GLN 13 HN GLN 13 -2.141 3.096 0.856 96 HA GLN 13 HA GLN 13 0.530 4.074 1.482 97 1HB GLN 13 HB2 GLN 13 -0.004 6.375 0.819 98 2HB GLN 13 HB1 GLN 13 -0.050 5.308 -0.578 99 1HG GLN 13 HG2 GLN 13 -2.540 5.179 -0.282 100 2HG GLN 13 HG1 GLN 13 -2.383 6.455 0.919 101 1HE2 GLN 13 HE21 GLN 13 -3.780 6.481 -1.618 102 2HE2 GLN 13 HE22 GLN 13 -3.104 7.792 -2.518 103 H VAL 14 HN VAL 14 0.515 5.517 3.358 104 HA VAL 14 HA VAL 14 -1.814 4.912 5.040 105 HB VAL 14 HB VAL 14 0.884 6.066 5.810 106 1HG1 VAL 14 HG11 VAL 14 0.168 5.550 8.106 107 2HG1 VAL 14 HG12 VAL 14 -1.413 5.076 7.496 108 3HG1 VAL 14 HG13 VAL 14 -0.883 6.750 7.343 109 1HG2 VAL 14 HG21 VAL 14 -0.217 3.282 6.138 110 2HG2 VAL 14 HG22 VAL 14 1.331 3.856 6.774 111 3HG2 VAL 14 HG23 VAL 14 1.055 3.761 5.022 112 H VAL 15 HN VAL 15 -3.279 6.431 5.534 113 HA VAL 15 HA VAL 15 -2.522 9.226 4.974 114 HB VAL 15 HB VAL 15 -4.939 9.697 4.720 115 1HG1 VAL 15 HG11 VAL 15 -5.236 8.604 2.533 116 2HG1 VAL 15 HG12 VAL 15 -3.869 7.541 2.883 117 3HG1 VAL 15 HG13 VAL 15 -3.609 9.280 2.732 118 1HG2 VAL 15 HG21 VAL 15 -5.854 7.874 6.066 119 2HG2 VAL 15 HG22 VAL 15 -5.252 6.697 4.904 120 3HG2 VAL 15 HG23 VAL 15 -6.523 7.836 4.432 121 H VAL 16 HN VAL 16 -2.932 10.775 6.492 122 HA VAL 16 HA VAL 16 -3.805 9.761 9.107 123 HB VAL 16 HB VAL 16 -1.355 10.164 9.024 124 1HG1 VAL 16 HG11 VAL 16 -0.505 12.465 8.926 125 2HG1 VAL 16 HG12 VAL 16 -2.121 13.036 8.509 126 3HG1 VAL 16 HG13 VAL 16 -1.264 11.952 7.417 127 1HG2 VAL 16 HG21 VAL 16 -1.215 11.495 11.058 128 2HG2 VAL 16 HG22 VAL 16 -2.556 10.349 11.143 129 3HG2 VAL 16 HG23 VAL 16 -2.859 12.058 10.813 130 H ASN 17 HN ASN 17 -5.235 10.967 10.245 131 HA ASN 17 HA ASN 17 -6.362 13.315 8.899 132 1HB ASN 17 HB2 ASN 17 -7.891 11.538 9.803 133 2HB ASN 17 HB1 ASN 17 -7.331 11.931 11.432 134 1HD2 ASN 17 HD21 ASN 17 -9.380 12.570 12.126 135 2HD2 ASN 17 HD22 ASN 17 -10.108 14.049 11.590 136 H HIS 18 HN HIS 18 -6.825 15.251 10.423 137 HA HIS 18 HA HIS 18 -4.316 15.988 11.552 138 1HB HIS 18 HB2 HIS 18 -6.926 17.431 11.229 139 2HB HIS 18 HB1 HIS 18 -5.591 18.145 12.150 140 HD1 HIS 18 HD1 HIS 18 -3.290 18.415 10.693 141 HD2 HIS 18 HD2 HIS 18 -6.816 17.833 8.554 142 HE1 HIS 18 HE1 HIS 18 -2.769 19.130 8.339 143 HE2 HIS 18 HE2 HIS 18 -4.904 18.764 7.067 144 H GLU 19 HN GLU 19 -6.248 13.953 12.801 145 HA GLU 19 HA GLU 19 -6.017 14.924 15.583 146 1HB GLU 19 HB2 GLU 19 -7.283 12.369 14.556 147 2HB GLU 19 HB1 GLU 19 -7.392 13.011 16.192 148 1HG GLU 19 HG2 GLU 19 -8.753 14.824 15.426 149 2HG GLU 19 HG1 GLU 19 -8.521 14.365 13.743 150 H GLU 20 HN GLU 20 -4.126 13.696 13.363 151 HA GLU 20 HA GLU 20 -2.349 12.320 13.192 152 1HB GLU 20 HB2 GLU 20 -1.893 13.382 15.530 153 2HB GLU 20 HB1 GLU 20 -2.408 11.820 16.149 154 1HG GLU 20 HG2 GLU 20 0.034 12.014 15.945 155 2HG GLU 20 HG1 GLU 20 -0.632 10.717 14.946 156 H GLN 21 HN GLN 21 -4.796 11.367 12.694 157 HA GLN 21 HA GLN 21 -5.164 8.771 13.993 158 1HB GLN 21 HB2 GLN 21 -7.131 10.248 13.687 159 2HB GLN 21 HB1 GLN 21 -6.867 10.206 11.960 160 1HG GLN 21 HG2 GLN 21 -8.610 8.698 12.379 161 2HG GLN 21 HG1 GLN 21 -7.175 7.730 12.038 162 1HE2 GLN 21 HE21 GLN 21 -7.833 9.406 15.059 163 2HE2 GLN 21 HE22 GLN 21 -7.995 7.977 16.012 164 H TYR 22 HN TYR 22 -4.318 7.012 13.086 165 HA TYR 22 HA TYR 22 -3.284 7.263 10.357 166 1HB TYR 22 HB2 TYR 22 -2.737 5.149 12.479 167 2HB TYR 22 HB1 TYR 22 -1.961 5.228 10.895 168 HD1 TYR 22 HD1 TYR 22 -1.823 6.278 14.298 169 HD2 TYR 22 HD2 TYR 22 -0.627 7.414 10.359 170 HE1 TYR 22 HE1 TYR 22 -0.126 7.775 15.236 171 HE2 TYR 22 HE2 TYR 22 1.069 8.908 11.313 172 HH TYR 22 HH TYR 22 1.384 10.163 13.522 173 H SER 23 HN SER 23 -4.110 6.294 8.676 174 HA SER 23 HA SER 23 -5.558 3.791 8.952 175 1HB SER 23 HB2 SER 23 -7.227 5.722 9.122 176 2HB SER 23 HB1 SER 23 -6.829 6.072 7.438 177 HG SER 23 HG SER 23 -8.048 3.760 8.533 178 H ILE 24 HN ILE 24 -6.162 3.045 6.560 179 HA ILE 24 HA ILE 24 -3.808 3.738 4.928 180 HB ILE 24 HB ILE 24 -3.794 1.414 4.080 181 1HG1 ILE 24 HG12 ILE 24 -5.729 0.819 6.326 182 2HG1 ILE 24 HG11 ILE 24 -6.189 0.922 4.628 183 1HG2 ILE 24 HG21 ILE 24 -2.808 0.359 6.063 184 2HG2 ILE 24 HG22 ILE 24 -3.477 1.656 7.067 185 3HG2 ILE 24 HG23 ILE 24 -2.250 2.025 5.851 186 1HD1 ILE 24 HD11 ILE 24 -4.258 -1.033 5.845 187 2HD1 ILE 24 HD12 ILE 24 -4.658 -0.939 4.124 188 3HD1 ILE 24 HD13 ILE 24 -5.916 -1.378 5.296 189 H TRP 25 HN TRP 25 -4.085 3.688 2.670 190 HA TRP 25 HA TRP 25 -6.785 3.371 1.608 191 1HB TRP 25 HB2 TRP 25 -6.529 5.742 2.423 192 2HB TRP 25 HB1 TRP 25 -5.221 5.948 1.272 193 HD1 TRP 25 HD1 TRP 25 -5.893 6.835 -1.038 194 HE1 TRP 25 HE1 TRP 25 -8.120 7.154 -2.306 195 HE3 TRP 25 HE3 TRP 25 -9.027 4.487 2.231 196 HZ2 TRP 25 HZ2 TRP 25 -10.840 6.474 -1.963 197 HZ3 TRP 25 HZ3 TRP 25 -11.420 4.350 1.698 198 HH2 TRP 25 HH2 TRP 25 -12.321 5.325 -0.347 199 HA PRO 26 HA PRO 26 -4.411 1.660 -1.808 200 1HB PRO 26 HB2 PRO 26 -6.686 2.696 -3.410 201 2HB PRO 26 HB1 PRO 26 -5.974 1.083 -3.384 202 1HG PRO 26 HG2 PRO 26 -8.310 1.552 -2.204 203 2HG PRO 26 HG1 PRO 26 -7.097 0.482 -1.449 204 1HD PRO 26 HD2 PRO 26 -7.821 3.322 -0.783 205 2HD PRO 26 HD1 PRO 26 -7.424 1.961 0.311 206 H GLU 27 HN GLU 27 -2.818 2.539 -3.059 207 HA GLU 27 HA GLU 27 -2.554 5.364 -3.058 208 1HB GLU 27 HB2 GLU 27 -0.611 3.861 -2.834 209 2HB GLU 27 HB1 GLU 27 -0.895 3.273 -4.475 210 1HG GLU 27 HG2 GLU 27 -0.477 5.529 -5.339 211 2HG GLU 27 HG1 GLU 27 -0.178 6.095 -3.701 212 H TYR 28 HN TYR 28 -3.782 3.066 -5.322 213 HA TYR 28 HA TYR 28 -3.471 4.559 -7.684 214 1HB TYR 28 HB2 TYR 28 -5.799 2.745 -7.170 215 2HB TYR 28 HB1 TYR 28 -4.978 3.052 -8.693 216 HD1 TYR 28 HD1 TYR 28 -2.913 1.908 -9.250 217 HD2 TYR 28 HD2 TYR 28 -4.867 1.219 -5.546 218 HE1 TYR 28 HE1 TYR 28 -1.515 -0.096 -8.909 219 HE2 TYR 28 HE2 TYR 28 -3.510 -0.805 -5.193 220 HH TYR 28 HH TYR 28 -0.791 -1.584 -7.218 221 H LYS 29 HN LYS 29 -5.680 4.762 -5.054 222 HA LYS 29 HA LYS 29 -7.569 6.401 -6.571 223 1HB LYS 29 HB2 LYS 29 -7.698 5.049 -3.884 224 2HB LYS 29 HB1 LYS 29 -8.853 6.308 -4.337 225 1HG LYS 29 HG2 LYS 29 -9.808 4.134 -4.730 226 2HG LYS 29 HG1 LYS 29 -9.546 4.953 -6.267 227 1HD LYS 29 HD2 LYS 29 -7.546 3.643 -6.664 228 2HD LYS 29 HD1 LYS 29 -7.723 2.874 -5.096 229 1HE LYS 29 HE2 LYS 29 -9.763 1.821 -5.776 230 2HE LYS 29 HE1 LYS 29 -9.759 2.714 -7.296 231 1HZ LYS 29 HZ1 LYS 29 -7.728 1.543 -7.906 232 2HZ LYS 29 HZ2 LYS 29 -9.016 0.481 -7.619 233 3HZ LYS 29 HZ3 LYS 29 -7.791 0.652 -6.462 234 H GLU 30 HN GLU 30 -8.080 8.509 -5.947 235 HA GLU 30 HA GLU 30 -5.977 10.048 -4.775 236 1HB GLU 30 HB2 GLU 30 -7.483 10.969 -6.477 237 2HB GLU 30 HB1 GLU 30 -8.849 10.735 -5.403 238 1HG GLU 30 HG2 GLU 30 -7.944 12.381 -3.867 239 2HG GLU 30 HG1 GLU 30 -6.535 12.594 -4.931 240 H ILE 31 HN ILE 31 -5.889 10.965 -2.701 241 HA ILE 31 HA ILE 31 -7.138 9.540 -0.612 242 HB ILE 31 HB ILE 31 -5.585 12.135 -0.539 243 1HG1 ILE 31 HG12 ILE 31 -4.655 9.305 0.023 244 2HG1 ILE 31 HG11 ILE 31 -4.344 10.193 -1.469 245 1HG2 ILE 31 HG21 ILE 31 -6.334 10.262 1.698 246 2HG2 ILE 31 HG22 ILE 31 -6.920 11.914 1.456 247 3HG2 ILE 31 HG23 ILE 31 -5.220 11.633 1.841 248 1HD1 ILE 31 HD11 ILE 31 -2.421 10.254 0.013 249 2HD1 ILE 31 HD12 ILE 31 -3.408 10.967 1.290 250 3HD1 ILE 31 HD13 ILE 31 -3.093 11.870 -0.187 251 HA PRO 32 HA PRO 32 -11.034 11.737 -0.411 252 1HB PRO 32 HB2 PRO 32 -10.867 10.897 2.441 253 2HB PRO 32 HB1 PRO 32 -12.170 10.643 1.257 254 1HG PRO 32 HG2 PRO 32 -10.572 8.638 1.983 255 2HG PRO 32 HG1 PRO 32 -11.126 8.817 0.303 256 1HD PRO 32 HD2 PRO 32 -8.458 9.441 1.494 257 2HD PRO 32 HD1 PRO 32 -8.853 8.758 -0.086 258 H GLN 33 HN GLN 33 -11.820 13.650 0.390 259 HA GLN 33 HA GLN 33 -9.894 15.534 1.203 260 1HB GLN 33 HB2 GLN 33 -12.893 15.632 0.992 261 2HB GLN 33 HB1 GLN 33 -11.936 17.011 1.507 262 1HG GLN 33 HG2 GLN 33 -10.768 17.036 -0.607 263 2HG GLN 33 HG1 GLN 33 -11.648 15.603 -1.132 264 1HE2 GLN 33 HE21 GLN 33 -11.908 19.020 -0.366 265 2HE2 GLN 33 HE22 GLN 33 -13.407 19.279 -1.205 266 H GLY 34 HN GLY 34 -9.112 15.940 3.155 267 1HA GLY 34 HA2 GLY 34 -9.815 16.589 5.453 268 2HA GLY 34 HA1 GLY 34 -10.765 15.119 5.462 269 H TRP 35 HN TRP 35 -8.502 13.840 3.897 270 HA TRP 35 HA TRP 35 -6.843 13.212 6.259 271 1HB TRP 35 HB2 TRP 35 -7.385 11.640 3.706 272 2HB TRP 35 HB1 TRP 35 -6.264 11.125 4.995 273 HD1 TRP 35 HD1 TRP 35 -10.011 11.476 4.245 274 HE1 TRP 35 HE1 TRP 35 -11.348 10.107 5.966 275 HE3 TRP 35 HE3 TRP 35 -6.173 10.215 7.370 276 HZ2 TRP 35 HZ2 TRP 35 -10.812 8.665 8.342 277 HZ3 TRP 35 HZ3 TRP 35 -6.670 8.855 9.354 278 HH2 TRP 35 HH2 TRP 35 -8.947 8.087 9.823 279 H ARG 36 HN ARG 36 -4.562 12.912 5.939 280 HA ARG 36 HA ARG 36 -3.476 14.266 3.564 281 1HB ARG 36 HB2 ARG 36 -3.361 15.733 5.574 282 2HB ARG 36 HB1 ARG 36 -2.426 14.482 6.389 283 1HG ARG 36 HG2 ARG 36 -0.875 16.105 5.642 284 2HG ARG 36 HG1 ARG 36 -0.694 14.728 4.572 285 1HD ARG 36 HD2 ARG 36 -2.289 17.206 3.979 286 2HD ARG 36 HD1 ARG 36 -0.657 16.898 3.388 287 HE ARG 36 HE ARG 36 -3.104 15.506 2.534 288 1HH1 ARG 36 HH11 ARG 36 0.322 16.136 2.150 289 2HH1 ARG 36 HH12 ARG 36 0.400 15.381 0.590 290 1HH2 ARG 36 HH21 ARG 36 -3.040 14.563 0.477 291 2HH2 ARG 36 HH22 ARG 36 -1.512 14.503 -0.386 292 H ALA 37 HN ALA 37 -1.581 13.395 2.736 293 HA ALA 37 HA ALA 37 -1.256 10.631 3.131 294 1HB ALA 37 HB1 ALA 37 0.526 12.551 1.636 295 2HB ALA 37 HB2 ALA 37 -0.863 11.691 0.952 296 3HB ALA 37 HB3 ALA 37 0.561 10.792 1.499 297 H ALA 38 HN ALA 38 0.043 9.524 4.438 298 HA ALA 38 HA ALA 38 2.148 11.008 5.882 299 1HB ALA 38 HB1 ALA 38 1.932 9.328 7.664 300 2HB ALA 38 HB2 ALA 38 0.673 8.521 6.742 301 3HB ALA 38 HB3 ALA 38 0.401 10.152 7.377 302 H GLY 39 HN GLY 39 4.049 10.623 5.030 303 1HA GLY 39 HA2 GLY 39 4.788 8.987 3.040 304 2HA GLY 39 HA1 GLY 39 5.907 9.488 4.291 305 H LYS 40 HN LYS 40 3.735 6.974 3.249 306 HA LYS 40 HA LYS 40 5.658 4.978 3.780 307 1HB LYS 40 HB2 LYS 40 4.563 5.393 6.081 308 2HB LYS 40 HB1 LYS 40 3.109 4.700 5.374 309 1HG LYS 40 HG2 LYS 40 4.184 2.949 6.544 310 2HG LYS 40 HG1 LYS 40 4.446 2.662 4.814 311 1HD LYS 40 HD2 LYS 40 6.698 3.539 4.954 312 2HD LYS 40 HD1 LYS 40 6.440 4.016 6.635 313 1HE LYS 40 HE2 LYS 40 6.135 1.658 7.237 314 2HE LYS 40 HE1 LYS 40 6.475 1.219 5.568 315 1HZ LYS 40 HZ1 LYS 40 8.333 2.676 7.363 316 2HZ LYS 40 HZ2 LYS 40 8.655 2.196 5.771 317 3HZ LYS 40 HZ3 LYS 40 8.450 1.018 6.972 318 H SER 41 HN SER 41 5.348 4.338 1.673 319 HA SER 41 HA SER 41 2.657 3.356 1.004 320 1HB SER 41 HB2 SER 41 3.043 4.124 -1.343 321 2HB SER 41 HB1 SER 41 2.967 5.465 -0.187 322 HG SER 41 HG SER 41 5.361 5.248 -0.142 323 H GLY 42 HN GLY 42 2.559 1.601 -0.367 324 1HA GLY 42 HA2 GLY 42 4.332 0.292 -1.861 325 2HA GLY 42 HA1 GLY 42 4.867 -0.156 -0.228 326 H LEU 43 HN LEU 43 4.298 -2.321 -0.327 327 HA LEU 43 HA LEU 43 1.735 -3.171 -1.227 328 1HB LEU 43 HB2 LEU 43 3.886 -4.491 0.406 329 2HB LEU 43 HB1 LEU 43 2.334 -5.281 0.190 330 HG LEU 43 HG LEU 43 3.912 -6.163 -1.413 331 1HD1 LEU 43 HD11 LEU 43 2.762 -5.626 -3.521 332 2HD1 LEU 43 HD12 LEU 43 1.926 -4.308 -2.696 333 3HD1 LEU 43 HD13 LEU 43 1.654 -5.965 -2.194 334 1HD2 LEU 43 HD21 LEU 43 4.305 -3.337 -2.398 335 2HD2 LEU 43 HD22 LEU 43 5.014 -4.798 -3.092 336 3HD2 LEU 43 HD23 LEU 43 5.478 -4.271 -1.474 337 H LYS 44 HN LYS 44 -0.005 -3.964 0.076 338 HA LYS 44 HA LYS 44 -0.935 -2.166 1.935 339 1HB LYS 44 HB2 LYS 44 -2.421 -3.656 0.769 340 2HB LYS 44 HB1 LYS 44 -1.652 -5.070 1.483 341 1HG LYS 44 HG2 LYS 44 -2.571 -4.536 3.635 342 2HG LYS 44 HG1 LYS 44 -3.184 -2.993 3.030 343 1HD LYS 44 HD2 LYS 44 -4.729 -4.114 1.562 344 2HD LYS 44 HD1 LYS 44 -4.009 -5.665 1.939 345 1HE LYS 44 HE2 LYS 44 -5.344 -3.919 3.985 346 2HE LYS 44 HE1 LYS 44 -6.193 -5.180 3.079 347 1HZ LYS 44 HZ1 LYS 44 -3.863 -5.601 4.864 348 2HZ LYS 44 HZ2 LYS 44 -4.669 -6.815 4.003 349 3HZ LYS 44 HZ3 LYS 44 -5.464 -5.977 5.246 350 H LYS 45 HN LYS 45 0.807 -5.200 2.506 351 HA LYS 45 HA LYS 45 0.487 -5.316 5.271 352 1HB LYS 45 HB2 LYS 45 2.521 -6.773 5.221 353 2HB LYS 45 HB1 LYS 45 1.230 -7.265 4.143 354 1HG LYS 45 HG2 LYS 45 3.017 -7.520 2.763 355 2HG LYS 45 HG1 LYS 45 2.623 -5.841 2.402 356 1HD LYS 45 HD2 LYS 45 4.330 -5.116 4.027 357 2HD LYS 45 HD1 LYS 45 4.754 -6.807 4.315 358 1HE LYS 45 HE2 LYS 45 5.339 -7.043 1.940 359 2HE LYS 45 HE1 LYS 45 4.965 -5.337 1.692 360 1HZ LYS 45 HZ1 LYS 45 7.316 -5.664 1.956 361 2HZ LYS 45 HZ2 LYS 45 7.098 -6.425 3.448 362 3HZ LYS 45 HZ3 LYS 45 6.735 -4.778 3.277 363 H ASP 46 HN ASP 46 2.703 -3.424 3.341 364 HA ASP 46 HA ASP 46 4.566 -2.863 5.405 365 1HB ASP 46 HB2 ASP 46 5.170 -2.684 3.027 366 2HB ASP 46 HB1 ASP 46 4.043 -1.359 2.836 367 H CYS 47 HN CYS 47 1.695 -1.310 4.194 368 HA CYS 47 HA CYS 47 1.952 1.059 5.701 369 1HB CYS 47 HB2 CYS 47 -0.467 -0.202 4.411 370 2HB CYS 47 HB1 CYS 47 -0.401 1.446 5.055 371 HG CYS 47 HG CYS 47 1.385 2.417 3.204 372 H LEU 48 HN LEU 48 0.317 -2.021 6.158 373 HA LEU 48 HA LEU 48 -0.981 -1.431 8.534 374 1HB LEU 48 HB2 LEU 48 0.198 -4.058 7.645 375 2HB LEU 48 HB1 LEU 48 -0.988 -3.857 8.922 376 HG LEU 48 HG LEU 48 -1.418 -3.317 5.988 377 1HD1 LEU 48 HD11 LEU 48 -1.356 -5.689 6.569 378 2HD1 LEU 48 HD12 LEU 48 -2.971 -5.183 6.102 379 3HD1 LEU 48 HD13 LEU 48 -2.588 -5.415 7.807 380 1HD2 LEU 48 HD21 LEU 48 -3.308 -2.982 8.312 381 2HD2 LEU 48 HD22 LEU 48 -3.761 -2.892 6.616 382 3HD2 LEU 48 HD23 LEU 48 -2.653 -1.702 7.284 383 H ALA 49 HN ALA 49 2.209 -2.715 7.869 384 HA ALA 49 HA ALA 49 3.158 -3.089 10.435 385 1HB ALA 49 HB1 ALA 49 5.386 -2.906 9.478 386 2HB ALA 49 HB2 ALA 49 4.733 -2.125 8.044 387 3HB ALA 49 HB3 ALA 49 4.336 -3.812 8.389 388 H TYR 50 HN TYR 50 3.149 -0.159 8.472 389 HA TYR 50 HA TYR 50 4.536 1.560 10.118 390 1HB TYR 50 HB2 TYR 50 3.795 2.229 7.899 391 2HB TYR 50 HB1 TYR 50 2.113 2.194 8.431 392 HD1 TYR 50 HD1 TYR 50 5.381 3.877 9.030 393 HD2 TYR 50 HD2 TYR 50 1.133 4.124 9.380 394 HE1 TYR 50 HE1 TYR 50 5.578 6.225 9.721 395 HE2 TYR 50 HE2 TYR 50 1.329 6.494 10.067 396 HH TYR 50 HH TYR 50 3.080 7.940 11.140 397 H ILE 51 HN ILE 51 1.046 0.828 10.236 398 HA ILE 51 HA ILE 51 0.461 2.578 12.371 399 HB ILE 51 HB ILE 51 -0.926 0.170 11.208 400 1HG1 ILE 51 HG12 ILE 51 -2.720 1.867 10.803 401 2HG1 ILE 51 HG11 ILE 51 -1.687 3.085 11.533 402 1HG2 ILE 51 HG21 ILE 51 -1.325 -0.029 13.597 403 2HG2 ILE 51 HG22 ILE 51 -2.794 0.481 12.755 404 3HG2 ILE 51 HG23 ILE 51 -1.843 1.656 13.660 405 1HD1 ILE 51 HD11 ILE 51 -1.631 3.223 9.128 406 2HD1 ILE 51 HD12 ILE 51 -1.122 1.546 9.018 407 3HD1 ILE 51 HD13 ILE 51 -0.055 2.740 9.752 408 H GLU 52 HN GLU 52 1.619 -0.736 12.290 409 HA GLU 52 HA GLU 52 1.301 -1.414 14.966 410 1HB GLU 52 HB2 GLU 52 3.498 -2.223 13.061 411 2HB GLU 52 HB1 GLU 52 3.121 -3.035 14.585 412 1HG GLU 52 HG2 GLU 52 0.903 -3.609 13.707 413 2HG GLU 52 HG1 GLU 52 1.302 -2.810 12.192 414 H GLU 53 HN GLU 53 3.973 0.203 13.311 415 HA GLU 53 HA GLU 53 5.909 0.242 15.160 416 1HB GLU 53 HB2 GLU 53 5.181 2.590 13.397 417 2HB GLU 53 HB1 GLU 53 6.742 2.343 14.173 418 1HG GLU 53 HG2 GLU 53 5.514 0.440 12.213 419 2HG GLU 53 HG1 GLU 53 6.634 1.708 11.770 420 H VAL 54 HN VAL 54 3.782 3.379 16.805 421 HA VAL 54 HA VAL 54 3.320 2.549 14.071 422 HB VAL 54 HB VAL 54 1.299 3.030 15.258 423 1HG1 VAL 54 HG11 VAL 54 2.511 5.693 15.953 424 2HG1 VAL 54 HG12 VAL 54 2.275 4.338 17.073 425 3HG1 VAL 54 HG13 VAL 54 0.882 5.155 16.355 426 1HG2 VAL 54 HG21 VAL 54 0.296 4.690 13.900 427 2HG2 VAL 54 HG22 VAL 54 1.537 3.908 12.908 428 3HG2 VAL 54 HG23 VAL 54 1.837 5.499 13.611 429 H TRP 55 HN TRP 55 4.542 5.294 15.940 430 HA TRP 55 HA TRP 55 5.592 6.429 13.456 431 1HB TRP 55 HB2 TRP 55 4.142 7.808 15.115 432 2HB TRP 55 HB1 TRP 55 5.604 7.844 16.110 433 HD1 TRP 55 HD1 TRP 55 4.397 8.936 12.609 434 HE1 TRP 55 HE1 TRP 55 5.817 10.945 11.857 435 HE3 TRP 55 HE3 TRP 55 7.650 9.118 16.529 436 HZ2 TRP 55 HZ2 TRP 55 8.026 12.419 12.807 437 HZ3 TRP 55 HZ3 TRP 55 9.386 10.861 16.555 438 HH2 TRP 55 HH2 TRP 55 9.569 12.472 14.735 439 H THR 56 HN THR 56 6.720 4.153 14.372 440 HA THR 56 HA THR 56 8.596 3.097 14.941 441 HB THR 56 HB THR 56 10.773 4.217 14.704 442 HG1 THR 56 HG1 THR 56 9.194 6.484 14.817 443 1HG2 THR 56 HG21 THR 56 8.842 4.903 12.497 444 2HG2 THR 56 HG22 THR 56 9.597 3.329 12.730 445 3HG2 THR 56 HG23 THR 56 10.592 4.715 12.333 446 H ASP 57 HN ASP 57 7.723 2.717 16.992 447 HA ASP 57 HA ASP 57 8.729 4.408 19.165 448 1HB ASP 57 HB2 ASP 57 6.244 4.006 18.956 449 2HB ASP 57 HB1 ASP 57 6.542 2.303 19.269 450 H MET 58 HN MET 58 9.726 3.396 21.003 451 HA MET 58 HA MET 58 11.247 1.065 20.057 452 1HB MET 58 HB2 MET 58 12.507 3.171 20.421 453 2HB MET 58 HB1 MET 58 12.076 3.112 22.119 454 1HG MET 58 HG2 MET 58 13.259 0.987 22.346 455 2HG MET 58 HG1 MET 58 13.673 1.033 20.637 456 1HE MET 58 HE1 MET 58 17.075 1.675 22.437 457 2HE MET 58 HE2 MET 58 16.183 0.636 21.333 458 3HE MET 58 HE3 MET 58 15.763 0.654 23.044 459 H ARG 59 HN ARG 59 8.869 1.818 22.331 460 HA ARG 59 HA ARG 59 9.689 0.084 24.445 461 1HB ARG 59 HB2 ARG 59 7.332 0.125 25.161 462 2HB ARG 59 HB1 ARG 59 7.900 1.746 24.772 463 1HG ARG 59 HG2 ARG 59 6.716 1.687 22.659 464 2HG ARG 59 HG1 ARG 59 6.256 -0.003 22.947 465 1HD ARG 59 HD2 ARG 59 4.874 0.604 24.787 466 2HD ARG 59 HD1 ARG 59 5.506 2.260 24.799 467 HE ARG 59 HE ARG 59 4.472 2.187 22.374 468 1HH1 ARG 59 HH11 ARG 59 3.124 1.078 25.423 469 2HH1 ARG 59 HH12 ARG 59 1.483 1.385 24.952 470 1HH2 ARG 59 HH21 ARG 59 2.316 2.588 21.764 471 2HH2 ARG 59 HH22 ARG 59 1.012 2.243 22.872 472 HA PRO 60 HA PRO 60 9.559 -3.851 22.743 473 1HB PRO 60 HB2 PRO 60 8.170 -4.828 25.149 474 2HB PRO 60 HB1 PRO 60 9.760 -5.274 24.502 475 1HG PRO 60 HG2 PRO 60 9.541 -3.761 26.700 476 2HG PRO 60 HG1 PRO 60 10.803 -3.448 25.492 477 1HD PRO 60 HD2 PRO 60 8.227 -2.019 25.945 478 2HD PRO 60 HD1 PRO 60 9.816 -1.369 25.557 479 H LEU 61 HN LEU 61 7.840 -3.170 21.177 480 HA LEU 61 HA LEU 61 5.282 -4.465 21.612 481 1HB LEU 61 HB2 LEU 61 4.852 -3.676 19.244 482 2HB LEU 61 HB1 LEU 61 5.054 -2.439 20.470 483 HG LEU 61 HG LEU 61 7.505 -2.364 19.629 484 1HD1 LEU 61 HD11 LEU 61 6.131 -3.645 17.266 485 2HD1 LEU 61 HD12 LEU 61 7.424 -4.342 18.230 486 3HD1 LEU 61 HD13 LEU 61 7.741 -2.928 17.243 487 1HD2 LEU 61 HD21 LEU 61 5.233 -1.342 17.936 488 2HD2 LEU 61 HD22 LEU 61 6.885 -0.717 17.934 489 3HD2 LEU 61 HD23 LEU 61 5.877 -0.574 19.381 490 H SER 62 HN SER 62 8.354 -5.222 20.405 491 HA SER 62 HA SER 62 7.576 -7.068 18.365 492 1HB SER 62 HB2 SER 62 9.835 -5.748 18.775 493 2HB SER 62 HB1 SER 62 10.280 -7.232 19.632 494 HG SER 62 HG SER 62 10.274 -8.299 17.801 495 H LEU 63 HN LEU 63 8.364 -7.342 21.802 496 HA LEU 63 HA LEU 63 8.168 -10.221 21.698 497 1HB LEU 63 HB2 LEU 63 8.401 -10.091 24.190 498 2HB LEU 63 HB1 LEU 63 9.735 -9.363 23.302 499 HG LEU 63 HG LEU 63 8.509 -7.132 23.720 500 1HD1 LEU 63 HD11 LEU 63 6.379 -8.024 24.452 501 2HD1 LEU 63 HD12 LEU 63 7.121 -7.051 25.729 502 3HD1 LEU 63 HD13 LEU 63 7.168 -8.814 25.820 503 1HD2 LEU 63 HD21 LEU 63 9.528 -6.918 25.935 504 2HD2 LEU 63 HD22 LEU 63 10.588 -7.733 24.794 505 3HD2 LEU 63 HD23 LEU 63 9.733 -8.678 26.008 506 H ARG 64 HN ARG 64 6.004 -7.789 21.562 507 HA ARG 64 HA ARG 64 3.911 -9.124 23.105 508 1HB ARG 64 HB2 ARG 64 4.113 -6.461 21.726 509 2HB ARG 64 HB1 ARG 64 2.557 -7.105 22.240 510 1HG ARG 64 HG2 ARG 64 3.260 -7.149 24.522 511 2HG ARG 64 HG1 ARG 64 4.892 -6.652 24.070 512 1HD ARG 64 HD2 ARG 64 3.350 -4.854 24.962 513 2HD ARG 64 HD1 ARG 64 4.171 -4.515 23.447 514 HE ARG 64 HE ARG 64 1.856 -5.516 22.553 515 1HH1 ARG 64 HH11 ARG 64 2.503 -3.133 25.043 516 2HH1 ARG 64 HH12 ARG 64 1.070 -2.216 24.707 517 1HH2 ARG 64 HH21 ARG 64 -0.016 -4.324 22.115 518 2HH2 ARG 64 HH22 ARG 64 -0.360 -2.883 23.030 519 H GLN 65 HN GLN 65 4.456 -7.860 19.827 520 HA GLN 65 HA GLN 65 3.829 -8.598 17.782 521 1HB GLN 65 HB2 GLN 65 3.498 -11.171 19.300 522 2HB GLN 65 HB1 GLN 65 3.317 -11.054 17.559 523 1HG GLN 65 HG2 GLN 65 5.621 -10.307 17.334 524 2HG GLN 65 HG1 GLN 65 5.808 -10.387 19.093 525 1HE2 GLN 65 HE21 GLN 65 5.389 -12.205 16.152 526 2HE2 GLN 65 HE22 GLN 65 5.917 -13.750 16.778 527 H HIS 66 HN HIS 66 1.903 -10.221 16.822 528 HA HIS 66 HA HIS 66 -0.595 -9.028 17.828 529 1HB HIS 66 HB2 HIS 66 -0.015 -10.577 15.299 530 2HB HIS 66 HB1 HIS 66 -1.589 -9.948 15.745 531 HD1 HIS 66 HD1 HIS 66 -2.061 -7.556 15.144 532 HD2 HIS 66 HD2 HIS 66 1.926 -8.570 14.683 533 HE1 HIS 66 HE1 HIS 66 -0.985 -5.594 13.992 534 HE2 HIS 66 HE2 HIS 66 1.462 -6.204 13.809 535 H MET 67 HN MET 67 0.729 -12.164 16.790 536 HA MET 67 HA MET 67 -1.400 -13.647 18.007 537 1HB MET 67 HB2 MET 67 -0.289 -14.617 16.117 538 2HB MET 67 HB1 MET 67 1.290 -14.449 16.881 539 1HG MET 67 HG2 MET 67 0.606 -16.109 18.579 540 2HG MET 67 HG1 MET 67 -0.933 -16.305 17.721 541 1HE MET 67 HE1 MET 67 1.237 -18.617 18.474 542 2HE MET 67 HE2 MET 67 1.161 -19.604 17.026 543 3HE MET 67 HE3 MET 67 -0.323 -18.966 17.743 544 H ASP 68 HN ASP 68 1.777 -12.561 18.981 545 HA ASP 68 HA ASP 68 2.913 -12.567 20.967 546 1HB ASP 68 HB2 ASP 68 0.628 -12.102 21.954 547 2HB ASP 68 HB1 ASP 68 0.452 -13.846 22.177 548 H LYS 69 HN LYS 69 3.804 -14.224 22.611 549 HA LYS 69 HA LYS 69 4.373 -16.649 21.157 550 1HB LYS 69 HB2 LYS 69 5.311 -15.653 23.861 551 2HB LYS 69 HB1 LYS 69 5.881 -17.140 23.094 552 1HG LYS 69 HG2 LYS 69 6.242 -14.332 22.074 553 2HG LYS 69 HG1 LYS 69 7.484 -15.399 22.731 554 1HD LYS 69 HD2 LYS 69 7.022 -16.975 20.860 555 2HD LYS 69 HD1 LYS 69 5.879 -15.804 20.200 556 1HE LYS 69 HE2 LYS 69 7.709 -14.173 19.998 557 2HE LYS 69 HE1 LYS 69 8.833 -15.371 20.634 558 1HZ LYS 69 HZ1 LYS 69 8.308 -16.785 18.716 559 2HZ LYS 69 HZ2 LYS 69 8.955 -15.291 18.242 560 3HZ LYS 69 HZ3 LYS 69 7.286 -15.583 18.095 561 H ALA 70 HN ALA 70 2.085 -15.603 23.337 562 HA ALA 70 HA ALA 70 0.355 -16.588 24.417 563 1HB ALA 70 HB1 ALA 70 1.238 -19.099 23.002 564 2HB ALA 70 HB2 ALA 70 0.109 -17.911 22.370 565 3HB ALA 70 HB3 ALA 70 -0.312 -18.850 23.793 566 H ALA 71 HN ALA 71 3.029 -16.438 25.551 567 HA ALA 71 HA ALA 71 3.508 -18.764 27.116 568 1HB ALA 71 HB1 ALA 71 4.476 -15.928 27.543 569 2HB ALA 71 HB2 ALA 71 5.274 -17.178 26.580 570 3HB ALA 71 HB3 ALA 71 5.128 -17.391 28.324 571 H GLY 72 HN GLY 72 2.025 -19.442 28.507 572 1HA GLY 72 HA2 GLY 72 0.963 -17.503 30.447 573 2HA GLY 72 HA1 GLY 72 -0.075 -18.702 29.708
Contact the webmaster for help, if required. Monday, May 20, 2024 5:59:40 PM GMT (wattos1)